A0A077ZDG1_TRITR Loading...

NAD binding 10 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDG1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 354 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
1M95.6Very high96.2Very high95 Ų9519.8 Ų19.847%0.46811%0.11SC..  0145.30-78.3-176.9-94.900108.5F25 E26 N72 M228M1-F25 HydrophobicContact CB-CD1 3.67Å; M1-F25 HydrophobicContact CB-CE1 3.58Å; M1-F25 HydrophobicContact CB-CZ 4.41Å; M1-F25 HydrophobicContact CE-CE1 3.86Å; M1-F25 HydrophobicContact CE-CE2 4.38Å; M1-F25 HydrophobicContact CE-CZ 3.53Å; M1-F25 HydrophobicContact CG-CE1 4.34Å; M1-F25 WeakPolarHBondContact O-CA 3.4Å; M1-F25 HydrophobicContact SD-CE1 4.03Å; M1-F25 HydrophobicContact SD-CZ 4.31Å; M1-E26 PolarHBondContact O-N 3.37Å; M1-N72 VanDerWaalsContact CA-OD1 3.31Å; M1-N72 WeakPolarHBondContact CA-OD1 3.48Å; M1-N72 WeakPolarHBondContact CB-OD1 3.42Å; M1-M228 HydrophobicContact CE-CE 4.36Å; M1-M228 HydrophobicContact CE-SD 3.45Å; M1-M228 WeakPolarHBondContact CE-SD 3.23Å
2K98.4Very high96.4Very high60 Ų6020.8 Ų20.826%0.26112%0.115SC..EExtended strand (participates in β ladder)trans-97.9126.5179.2-70.1-176.7172.1-167.50110.3E26 G68 Y71 N72K2-E26 CarbonylContact C-O 3.42Å; K2-E26 VanDerWaalsContact CA-O 3.32Å; K2-E26 WeakPolarHBondContact CA-O 3.42Å; K2-E26 WeakPolarHBondContact CE-OE1 3.24Å; K2-E26 WeakPolarHBondContact CE-OE2 3.33Å; K2-E26 HydrophobicContact CG-CB 4.12Å; K2-E26 HydrophobicContact CG-CG 4.34Å; K2-E26 IonicContact NZ-OE1 3.84Å; K2-G68 PolarHBondContact NZ-O 3.47Å; K2-Y71 HydrophobicContact CB-CD1 4Å; K2-N72 PolarHBondContact N-OD1 3.46Å; K2-N72 WeakPolarHBondContact O-CB 3.5Å; K2-N72 PolarHBondContact O-N 2.62Å; K2-N72 PolarHBondContact O-OD1 2.74Å
3V98.7Very high96.5Very high0 Ų019.5 Ų19.50%011%0.109CC..EExtended strand (participates in β ladder)trans-127.7131.9179174.40000109.7M5 F25 E26 L27 T28 I75 L227V3-M5 HydrophobicContact CG1-CG 4Å; V3-F25 HydrophobicContact CG2-CD1 3.73Å; V3-F25 HydrophobicContact CG2-CE1 4.15Å; V3-E26 PolarHBondContact N-O 2.87Å; V3-L27 HydrophobicContact CB-CD2 3.83Å; V3-L27 HydrophobicContact CG1-CD2 4.41Å; V3-L27 WeakPolarHBondContact O-CA 3.35Å; V3-T28 PolarHBondContact O-N 3.5Å; V3-I75 HydrophobicContact CG1-CD1 3.57Å; V3-I75 HydrophobicContact CG1-CG1 3.79Å; V3-L227 HydrophobicContact CG2-CD1 4.07Å; V3-L227 HydrophobicContact CG2-CD2 3.95Å
4L98.6Very high96.5Very high0 Ų018.1 Ų18.10%010%0.101CC..EExtended strand (participates in β ladder)trans-95.4130.1172.3177.661.8000109.1F6 T28 L30 L65 Y71 A73 V74 I75 L92L4-F6 HydrophobicContact CD2-CE2 4.22Å; L4-T28 CarbonylContact C-O 3.56Å; L4-T28 WeakPolarHBondContact CA-O 3.48Å; L4-T28 HydrophobicContact CD1-CG2 3.77Å; L4-T28 WeakPolarHBondContact CD1-O 3.45Å; L4-L30 HydrophobicContact CD1-CD1 3.83Å; L4-L30 HydrophobicContact CD1-CG 3.82Å; L4-L30 HydrophobicContact CD2-CD1 4.31Å; L4-L30 HydrophobicContact CG-CD1 4.42Å; L4-L65 HydrophobicContact CD1-CD1 3.46Å; L4-L65 VanDerWaalsContact CD1-CD1 3.46Å; L4-L65 HydrophobicContact CD2-CD1 3.88Å; L4-L65 HydrophobicContact CD2-CD2 4.34Å; L4-L65 HydrophobicContact CG-CD1 4.31Å; L4-Y71 HydrophobicContact CB-CD1 3.83Å; L4-Y71 HydrophobicContact CB-CD2 4.21Å; L4-Y71 HydrophobicContact CB-CE1 4.17Å; L4-Y71 HydrophobicContact CB-CG 3.87Å; L4-A73 PolarHBondContact N-O 2.87Å; L4-V74 HydrophobicContact CB-CG2 4.27Å; L4-V74 HydrophobicContact CD2-CG1 4.28Å; L4-V74 HydrophobicContact CD2-CG2 4.04Å; L4-V74 HydrophobicContact CG-CG1 4.38Å; L4-V74 CarbonylContact O-C 3.24Å; L4-V74 VanDerWaalsContact O-CA 3.27Å; L4-V74 WeakPolarHBondContact O-CA 3.45Å; L4-I75 PolarHBondContact O-N 3.41Å; L4-L92 HydrophobicContact CD2-CD2 3.45Å; L4-L92 VanDerWaalsContact CD2-CD2 3.45Å
5M98.4Very high96.6Very high0 Ų018.1 Ų18.10%010%0.103CC..EExtended strand (participates in β ladder)trans-122.5122.8178.5-6217173.700110.3V3 G13 V16 A17 L27 T28 L29 L30 I75 F77V3-M5 HydrophobicContact CG1-CG 4Å; M5-G13 WeakPolarHBondContact CE-O 3.44Å; M5-V16 HydrophobicContact CE-CB 4.05Å; M5-V16 HydrophobicContact CE-CG1 3.87Å; M5-A17 HydrophobicContact CE-CB 4.05Å; M5-A17 HydrophobicContact SD-CB 4.28Å; M5-L27 HydrophobicContact SD-CD1 4.05Å; M5-L27 HydrophobicContact SD-CD2 4.26Å; M5-T28 PolarHBondContact N-O 3.31Å; M5-L29 HydrophobicContact CB-CD1 4.05Å; M5-L29 HydrophobicContact CB-CG 4.11Å; M5-L29 HydrophobicContact CG-CD1 4.39Å; M5-L29 CarbonylContact O-C 3.44Å; M5-L29 WeakPolarHBondContact O-CA 3.37Å; M5-L29 HydrophobicContact SD-CD1 3.9Å; M5-L30 PolarHBondContact O-N 3.31Å; M5-I75 CarbonylContact C-O 3.53Å; M5-I75 VanDerWaalsContact CA-O 3.28Å; M5-I75 WeakPolarHBondContact CA-O 3.48Å; M5-I75 HydrophobicContact CG-CB 4.29Å; M5-I75 HydrophobicContact CG-CD1 4.31Å; M5-F77 HydrophobicContact CB-CE2 4.36Å; M5-F77 HydrophobicContact CE-CD2 4.21Å; M5-F77 HydrophobicContact CE-CE2 3.27Å; M5-F77 HydrophobicContact CE-CZ 3.75Å; M5-F77 HydrophobicContact CG-CE2 4.31Å
6F97.6Very high96.7Very high2 Ų217 Ų171%0.00910%0.096CC..EExtended strand (participates in β ladder)trans-84.1123.2163.4-72.9-97.8000109.6L4 L30 V74 I75 F77 F88 L92L4-F6 HydrophobicContact CD2-CE2 4.22Å; F6-L30 WeakPolarHBondContact CA-O 3.32Å; F6-L30 HydrophobicContact CD1-CB 3.9Å; F6-L30 HydrophobicContact CD1-CD1 4.06Å; F6-L30 HydrophobicContact CE1-CB 4.16Å; F6-L30 HydrophobicContact CE1-CD1 3.53Å; F6-L30 HydrophobicContact CE1-CG 4.49Å; F6-L30 HydrophobicContact CE2-CD1 4Å; F6-L30 HydrophobicContact CG-CB 4.35Å; F6-L30 HydrophobicContact CZ-CD1 3.49Å; F6-L30 VanDerWaalsContact CZ-CD1 3.49Å; F6-V74 HydrophobicContact CD2-CG1 3.85Å; F6-V74 HydrophobicContact CE2-CG1 3.86Å; F6-I75 PolarHBondContact N-O 3.17Å; F6-F77 WeakPolarHBondContact O-CD2 3.5Å; F6-F77 PolarHBondContact O-N 3.46Å; F6-F77 VanDerWaalsContact O-N 3.12Å; F6-F88 HydrophobicContact CE1-CD1 4.05Å; F6-F88 HydrophobicContact CE1-CE1 4.35Å; F6-F88 HydrophobicContact CE1-CG 4.2Å; F6-F88 HydrophobicContact CZ-CB 4.18Å; F6-F88 HydrophobicContact CZ-CD1 4.07Å; F6-F88 HydrophobicContact CZ-CG 4.14Å; F6-L92 HydrophobicContact CE2-CD1 3.58Å; F6-L92 HydrophobicContact CE2-CD2 4.12Å; F6-L92 HydrophobicContact CE2-CG 4.47Å; F6-L92 HydrophobicContact CZ-CD1 3.79Å; F6-L92 HydrophobicContact CZ-CD2 4.25Å
7G96.3Very high96.9Very high1 Ų116 Ų161%0.019%0.091CC..  trans89.3-120-165.200000110.9N9 L30 N31 S78G7-N9 VanDerWaalsContact C-OD1 3.27Å; G7-N9 PolarHBondContact O-N 2.99Å; G7-N9 PolarHBondContact O-OD1 2.8Å; G7-L30 PolarHBondContact N-O 3.09Å; G7-N31 PolarHBondContact O-ND2 3.44Å; G7-S78 WeakPolarHBondContact CA-OG 3.29Å
8G94.6Very high96.9Very high1 Ų118.4 Ų18.41%0.0110%0.101CC..  trans79.7-5.1-179.500000115.4G13 S14G8-G13 CarbonylContact O-C 3.59Å; G8-S14 WeakPolarHBondContact O-CA 3.41Å; G8-S14 PolarHBondContact O-N 2.84Å
9N94.3Very high97Very high19 Ų1920 Ų2010%0.10211%0.109CC..SBendtrans-110.73.1-175.662.2-59.1000114.1G7 N31 H34 W35 T39G7-N9 VanDerWaalsContact C-OD1 3.27Å; G7-N9 PolarHBondContact O-N 2.99Å; G7-N9 PolarHBondContact O-OD1 2.8Å; N9-N31 WeakPolarHBondContact OD1-CB 3.31Å; N9-N31 PolarHBondContact OD1-ND2 3.33Å; N9-H34 PolarHBondContact ND2-O 3.02Å; N9-W35 HydrophobicContact CB-CD2 4.09Å; N9-W35 HydrophobicContact CB-CE3 3.51Å; N9-W35 HydrophobicContact CB-CH2 4.14Å; N9-W35 HydrophobicContact CB-CZ3 3.55Å; N9-T39 PolarHBondContact O-OG1 3.27Å
10G91.4Very high97.1Very high23 Ų2319 Ų1924%0.23710%0.104CC..SBendtrans-112.7-154.8-179.600000112.3S14G10-S14 WeakPolarHBondContact O-CB 3.16Å; G10-S14 PolarHBondContact O-N 2.87Å; G10-S14 PolarHBondContact O-OG 2.7Å
11C94.7Very high97.1Very high17 Ų1720 Ų2012%0.11511%0.109CC..Hα-helixtrans-52.7-82.5-178.2172.80000113.8G13 S14 A175C11-G13 PolarHBondContact O-N 2.88Å; C11-S14 PolarHBondContact O-OG 3.23Å; C11-A175 WeakPolarHBondContact SG-CB 3.29Å
12I97.8Very high97.3Very high32 Ų3218.8 Ų18.816%0.16411%0.114CC..Hα-helixtrans-61.9-46.5-176.8-51.6172.4000110.9S14 S15 V16 F77 I102 L170 V173 V216 I219I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 2.98Å; I12-S15 PolarHBondContact O-N 2.82Å; I12-V16 HydrophobicContact CG2-CG2 4.26Å; I12-V16 WeakPolarHBondContact O-CG2 3.29Å; I12-V16 PolarHBondContact O-N 3.25Å; I12-F77 HydrophobicContact CB-CD1 4.07Å; I12-F77 HydrophobicContact CB-CE1 4.31Å; I12-F77 HydrophobicContact CG2-CD1 3.89Å; I12-F77 HydrophobicContact CG2-CE1 3.69Å; I12-I102 HydrophobicContact CD1-CG2 4.27Å; I12-L170 HydrophobicContact CD1-CD1 3.99Å; I12-V173 HydrophobicContact CD1-CG2 3.88Å; I12-V173 HydrophobicContact CG1-CG1 4.26Å; I12-V173 HydrophobicContact CG1-CG2 4.37Å; I12-V216 HydrophobicContact CB-CG2 4.45Å; I12-V216 HydrophobicContact CG1-CG2 4.5Å; I12-I219 HydrophobicContact CG2-CB 4.46Å; I12-I219 HydrophobicContact CG2-CD1 4.25Å; I12-I219 HydrophobicContact CG2-CG2 3.77Å
13G97.5Very high97.3Very high4 Ų419.5 Ų19.54%0.04112%0.121CC..Hα-helixtrans-60.5-37.9-174.100000113.9M5 G8 C11 A17M5-G13 WeakPolarHBondContact CE-O 3.44Å; G8-G13 CarbonylContact O-C 3.59Å; C11-G13 PolarHBondContact O-N 2.88Å; G13-A17 WeakPolarHBondContact O-CB 3.48Å; G13-A17 PolarHBondContact O-N 2.87Å
14S97.5Very high97.2Very high0 Ų027.8 Ų27.80%016%0.159CC..Hα-helixtrans-71.7-40.8178.863.50000112G8 G10 C11 I12 V16 A17 E18 R177G8-S14 WeakPolarHBondContact O-CA 3.41Å; G8-S14 PolarHBondContact O-N 2.84Å; G10-S14 WeakPolarHBondContact O-CB 3.16Å; G10-S14 PolarHBondContact O-N 2.87Å; G10-S14 PolarHBondContact O-OG 2.7Å; C11-S14 PolarHBondContact O-OG 3.23Å; I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 2.98Å; S14-V16 VanDerWaalsContact C-N 3.3Å; S14-V16 PolarHBondContact O-N 3.14Å; S14-A17 PolarHBondContact O-N 3.3Å; S14-E18 WeakPolarHBondContact O-CB 3.32Å; S14-E18 VanDerWaalsContact O-CG 3.31Å; S14-E18 WeakPolarHBondContact O-CG 3.35Å; S14-E18 PolarHBondContact O-N 3.39Å; S14-R177 PolarHBondContact OG-NE 3.12Å; S14-R177 PolarHBondContact OG-NH2 3.42Å
15S98Very high97.2Very high18 Ų1828.3 Ų28.313%0.12616%0.162CC..Hα-helixtrans-60-42.3175.5-176.30000111.5I12 L19I12-S15 PolarHBondContact O-N 2.82Å; S15-L19 PolarHBondContact O-N 2.91Å; S15-L19 VanDerWaalsContact O-N 3.14Å
16V98.6Very high97.2Very high0 Ų033.3 Ų33.30%019%0.185CC..Hα-helixtrans-63.9-48.6173.5177.30000110.9M5 I12 S14 E18 L19 L20 I75 F77 A220 I223M5-V16 HydrophobicContact CE-CB 4.05Å; M5-V16 HydrophobicContact CE-CG1 3.87Å; I12-V16 HydrophobicContact CG2-CG2 4.26Å; I12-V16 WeakPolarHBondContact O-CG2 3.29Å; I12-V16 PolarHBondContact O-N 3.25Å; S14-V16 VanDerWaalsContact C-N 3.3Å; S14-V16 PolarHBondContact O-N 3.14Å; V16-E18 PolarHBondContact O-N 3.4Å; V16-L19 PolarHBondContact O-N 3.48Å; V16-L20 HydrophobicContact CG1-CD1 3.79Å; V16-L20 HydrophobicContact CG1-CG 4.06Å; V16-L20 WeakPolarHBondContact O-CB 3.09Å; V16-L20 VanDerWaalsContact O-CG 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.35Å; V16-L20 PolarHBondContact O-N 3.35Å; V16-I75 HydrophobicContact CG1-CD1 4.41Å; V16-F77 HydrophobicContact CB-CE1 4.41Å; V16-F77 HydrophobicContact CB-CZ 3.9Å; V16-F77 HydrophobicContact CG1-CZ 3.99Å; V16-F77 HydrophobicContact CG2-CE1 3.88Å; V16-F77 HydrophobicContact CG2-CZ 3.82Å; V16-A220 HydrophobicContact CG2-CB 4.16Å; V16-I223 HydrophobicContact CG1-CB 4.42Å; V16-I223 HydrophobicContact CG1-CD1 4.3Å; V16-I223 HydrophobicContact CG1-CG2 3.85Å; V16-I223 HydrophobicContact CG2-CD1 3.67Å
17A98.5Very high97.3Very high0 Ų033.3 Ų33.30%019%0.185CC..Hα-helixtrans-58.7-46.5-179.100000111.9M5 G13 S14 L19 L20 L21 L27 V43M5-A17 HydrophobicContact CE-CB 4.05Å; M5-A17 HydrophobicContact SD-CB 4.28Å; G13-A17 WeakPolarHBondContact O-CB 3.48Å; G13-A17 PolarHBondContact O-N 2.87Å; S14-A17 PolarHBondContact O-N 3.3Å; A17-L19 PolarHBondContact O-N 2.94Å; A17-L20 PolarHBondContact O-N 2.94Å; A17-L21 WeakPolarHBondContact O-CB 3.38Å; A17-L21 WeakPolarHBondContact O-CG 3.47Å; A17-L21 PolarHBondContact O-N 3.26Å; A17-L27 HydrophobicContact CB-CD1 3.92Å; A17-V43 HydrophobicContact CB-CG1 3.85Å; A17-V43 HydrophobicContact CB-CG2 4.37Å
18E98Very high97.4Very high59 Ų5933.3 Ų33.328%0.27619%0.185SC..Hα-helixtrans-59.8-45.3178.2-72.3169.7171.100111.5S14 V16 L21 A22 S42 V43 R177S14-E18 WeakPolarHBondContact O-CB 3.32Å; S14-E18 VanDerWaalsContact O-CG 3.31Å; S14-E18 WeakPolarHBondContact O-CG 3.35Å; S14-E18 PolarHBondContact O-N 3.39Å; V16-E18 PolarHBondContact O-N 3.4Å; E18-L21 PolarHBondContact O-N 2.85Å; E18-A22 WeakPolarHBondContact O-CB 3.43Å; E18-A22 PolarHBondContact O-N 2.89Å; E18-S42 VanDerWaalsContact OE1-CB 3.29Å; E18-S42 WeakPolarHBondContact OE1-CB 3.38Å; E18-S42 PolarHBondContact OE1-OG 3.08Å; E18-V43 HydrophobicContact CG-CG2 3.86Å; E18-R177 IonicContact OE1-CZ 3.6Å; E18-R177 IonicContact OE1-NH1 2.63Å; E18-R177 PolarHBondContact OE1-NH1 3.29Å; E18-R177 IonicContact OE1-NH2 3.45Å; E18-R177 PolarHBondContact OE1-NH2 3.06Å; E18-R177 IonicContact OE2-CZ 2.96Å; E18-R177 IonicContact OE2-NH1 3.98Å; E18-R177 IonicContact OE2-NH2 3.78Å; E18-R177 PolarHBondContact OE2-NH2 3.47Å
19L98.2Very high97.6Very high49 Ų4933.3 Ų33.326%0.25718%0.184SC..Hα-helixtrans-65.9-41.7177.5-176.863.7000112.2S15 V16 A17 A22 N23 A220 R221 L224S15-L19 PolarHBondContact O-N 2.91Å; S15-L19 VanDerWaalsContact O-N 3.14Å; V16-L19 PolarHBondContact O-N 3.48Å; A17-L19 PolarHBondContact O-N 2.94Å; L19-A22 PolarHBondContact O-N 3.15Å; L19-N23 PolarHBondContact O-N 2.78Å; L19-N23 VanDerWaalsContact O-N 3.15Å; L19-N23 PolarHBondContact O-ND2 3.15Å; L19-A220 HydrophobicContact CB-CB 4.16Å; L19-A220 HydrophobicContact CD2-CB 3.62Å; L19-A220 WeakPolarHBondContact CD2-O 3.35Å; L19-R221 HydrophobicContact CD2-CG 4.25Å; L19-L224 HydrophobicContact CD2-CB 4.2Å; L19-L224 HydrophobicContact CD2-CD2 4.08Å; L19-L224 HydrophobicContact CG-CD2 4.18Å
20L98.7Very high97.7Very high0 Ų032.5 Ų32.50%018%0.18CC..Hα-helixtrans-67.6-39.1178.8-66-174.2000111.9V16 A17 A22 N23 H24 F25 L27 I75 L224 L227V16-L20 HydrophobicContact CG1-CD1 3.79Å; V16-L20 HydrophobicContact CG1-CG 4.06Å; V16-L20 WeakPolarHBondContact O-CB 3.09Å; V16-L20 VanDerWaalsContact O-CG 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.35Å; V16-L20 PolarHBondContact O-N 3.35Å; A17-L20 PolarHBondContact O-N 2.94Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.1Å; L20-N23 CarbonylContact O-C 3.57Å; L20-N23 VanDerWaalsContact O-C 3.3Å; L20-N23 WeakPolarHBondContact O-CA 3.44Å; L20-N23 PolarHBondContact O-N 2.75Å; L20-H24 PolarHBondContact O-N 3.21Å; L20-F25 HydrophobicContact CB-CB 3.96Å; L20-F25 HydrophobicContact CB-CD2 4.24Å; L20-F25 HydrophobicContact CB-CG 4.1Å; L20-F25 HydrophobicContact CD2-CD2 4.14Å; L20-F25 HydrophobicContact CD2-CE2 4.15Å; L20-F25 HydrophobicContact CD2-CG 4.33Å; L20-F25 HydrophobicContact CD2-CZ 4.33Å; L20-F25 WeakPolarHBondContact O-CB 3.43Å; L20-F25 WeakPolarHBondContact O-CD2 3.46Å; L20-F25 PolarHBondContact O-N 2.92Å; L20-L27 HydrophobicContact CB-CD1 4.17Å; L20-L27 HydrophobicContact CB-CD2 4.07Å; L20-L27 HydrophobicContact CD1-CD2 4.02Å; L20-I75 HydrophobicContact CD1-CD1 4.24Å; L20-L224 HydrophobicContact CD2-CB 4.2Å; L20-L224 HydrophobicContact CD2-CD1 3.83Å; L20-L227 HydrophobicContact CD1-CD1 3.69Å; L20-L227 HydrophobicContact CD2-CD1 3.61Å; L20-L227 HydrophobicContact CG-CD1 4.31Å
21L98.4Very high97.9Very high39 Ų3931.9 Ų31.920%0.20417%0.171CC..Hα-helixtrans-60.9-43.3173-73.4168000111.6A17 E18 N23 H24 L27 F46 V47A17-L21 WeakPolarHBondContact O-CB 3.38Å; A17-L21 WeakPolarHBondContact O-CG 3.47Å; A17-L21 PolarHBondContact O-N 3.26Å; E18-L21 PolarHBondContact O-N 2.85Å; L21-N23 PolarHBondContact O-N 2.81Å; L21-H24 PolarHBondContact O-N 3.05Å; L21-L27 HydrophobicContact CD1-CD1 4.41Å; L21-L27 HydrophobicContact CD2-CD1 4.07Å; L21-L27 HydrophobicContact CD2-CG 4.24Å; L21-L27 HydrophobicContact CG-CD1 3.77Å; L21-L27 HydrophobicContact CG-CG 4.44Å; L21-F46 HydrophobicContact CD1-CB 3.71Å; L21-F46 HydrophobicContact CD2-CB 4Å; L21-F46 VanDerWaalsContact CD2-O 3.27Å; L21-F46 WeakPolarHBondContact CD2-O 3.44Å; L21-F46 HydrophobicContact CG-CB 4.46Å; L21-V47 HydrophobicContact CD1-CG1 4.02Å; L21-V47 HydrophobicContact CD2-CG1 4.2Å; L21-V47 HydrophobicContact CG-CG1 4.49Å
22A98.2Very high98Very high71 Ų7136.1 Ų36.159%0.58719%0.185SC*.Hα-helixtrans-62-23.3174.400000112.9E18 L19 L20E18-A22 WeakPolarHBondContact O-CB 3.43Å; E18-A22 PolarHBondContact O-N 2.89Å; L19-A22 PolarHBondContact O-N 3.15Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.1Å
23N98.3Very high97.8Very high75 Ų7535.7 Ų35.740%0.40119%0.189SC..THydrogen-bonded Turntrans-99.520.5174.5-72.9-90.2000113L19 L20 L21 F25 L224L19-N23 PolarHBondContact O-N 2.78Å; L19-N23 VanDerWaalsContact O-N 3.15Å; L19-N23 PolarHBondContact O-ND2 3.15Å; L20-N23 CarbonylContact O-C 3.57Å; L20-N23 VanDerWaalsContact O-C 3.3Å; L20-N23 WeakPolarHBondContact O-CA 3.44Å; L20-N23 PolarHBondContact O-N 2.75Å; L21-N23 PolarHBondContact O-N 2.81Å; N23-F25 VanDerWaalsContact C-N 3.28Å; N23-F25 HydrophobicContact CB-CD2 3.9Å; N23-F25 HydrophobicContact CB-CE2 3.93Å; N23-F25 WeakPolarHBondContact O-CD2 3.3Å; N23-F25 PolarHBondContact O-N 3.3Å; N23-L224 HydrophobicContact CB-CD1 4.18Å
24H98Very high97.6Very high173 Ų17340.9 Ų40.980%0.80121%0.212SC*.THydrogen-bonded Turntrans60.331.5173.8-48.5-61000114.8L20 L21L20-H24 PolarHBondContact O-N 3.21Å; L21-H24 PolarHBondContact O-N 3.05Å
25F98.5Very high97.4Very high12 Ų1242.8 Ų42.85%0.05322%0.219CC..  trans-76144.1167.3-74.2-110000110.5M1 V3 L20 N23 L27 L224 L227 M228M1-F25 HydrophobicContact CB-CD1 3.67Å; M1-F25 HydrophobicContact CB-CE1 3.58Å; M1-F25 HydrophobicContact CB-CZ 4.41Å; M1-F25 HydrophobicContact CE-CE1 3.86Å; M1-F25 HydrophobicContact CE-CE2 4.38Å; M1-F25 HydrophobicContact CE-CZ 3.53Å; M1-F25 HydrophobicContact CG-CE1 4.34Å; M1-F25 WeakPolarHBondContact O-CA 3.4Å; M1-F25 HydrophobicContact SD-CE1 4.03Å; M1-F25 HydrophobicContact SD-CZ 4.31Å; V3-F25 HydrophobicContact CG2-CD1 3.73Å; V3-F25 HydrophobicContact CG2-CE1 4.15Å; L20-F25 HydrophobicContact CB-CB 3.96Å; L20-F25 HydrophobicContact CB-CD2 4.24Å; L20-F25 HydrophobicContact CB-CG 4.1Å; L20-F25 HydrophobicContact CD2-CD2 4.14Å; L20-F25 HydrophobicContact CD2-CE2 4.15Å; L20-F25 HydrophobicContact CD2-CG 4.33Å; L20-F25 HydrophobicContact CD2-CZ 4.33Å; L20-F25 WeakPolarHBondContact O-CB 3.43Å; L20-F25 WeakPolarHBondContact O-CD2 3.46Å; L20-F25 PolarHBondContact O-N 2.92Å; N23-F25 VanDerWaalsContact C-N 3.28Å; N23-F25 HydrophobicContact CB-CD2 3.9Å; N23-F25 HydrophobicContact CB-CE2 3.93Å; N23-F25 WeakPolarHBondContact O-CD2 3.3Å; N23-F25 PolarHBondContact O-N 3.3Å; F25-L27 HydrophobicContact CB-CD2 3.86Å; F25-L224 HydrophobicContact CE2-CD1 3.62Å; F25-L224 HydrophobicContact CZ-CD1 3.95Å; F25-L227 HydrophobicContact CD1-CD1 4.42Å; F25-L227 HydrophobicContact CE1-CB 3.92Å; F25-L227 HydrophobicContact CE1-CD1 3.88Å; F25-L227 HydrophobicContact CE1-CG 4.43Å; F25-L227 HydrophobicContact CZ-CB 4.03Å; F25-L227 HydrophobicContact CZ-CD1 4.34Å; F25-M228 HydrophobicContact CE2-SD 4.39Å; F25-M228 HydrophobicContact CZ-SD 4.08Å
26E98.5Very high96.9Very high104 Ų10447.4 Ų47.449%0.48623%0.234SC..EExtended strand (participates in β ladder)trans-91.2117.4169.2-177-175.2155.300107.8M1 K2 V3M1-E26 PolarHBondContact O-N 3.37Å; K2-E26 CarbonylContact C-O 3.42Å; K2-E26 VanDerWaalsContact CA-O 3.32Å; K2-E26 WeakPolarHBondContact CA-O 3.42Å; K2-E26 WeakPolarHBondContact CE-OE1 3.24Å; K2-E26 WeakPolarHBondContact CE-OE2 3.33Å; K2-E26 HydrophobicContact CG-CB 4.12Å; K2-E26 HydrophobicContact CG-CG 4.34Å; K2-E26 IonicContact NZ-OE1 3.84Å; V3-E26 PolarHBondContact N-O 2.87Å
27L98.7Very high96.6Very high3 Ų348.4 Ų48.42%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-110.5132.7-173.7-55.3-175.3000111.5V3 M5 A17 L20 L21 F25 L29 V47 K48V3-L27 HydrophobicContact CB-CD2 3.83Å; V3-L27 HydrophobicContact CG1-CD2 4.41Å; V3-L27 WeakPolarHBondContact O-CA 3.35Å; M5-L27 HydrophobicContact SD-CD1 4.05Å; M5-L27 HydrophobicContact SD-CD2 4.26Å; A17-L27 HydrophobicContact CB-CD1 3.92Å; L20-L27 HydrophobicContact CB-CD1 4.17Å; L20-L27 HydrophobicContact CB-CD2 4.07Å; L20-L27 HydrophobicContact CD1-CD2 4.02Å; L21-L27 HydrophobicContact CD1-CD1 4.41Å; L21-L27 HydrophobicContact CD2-CD1 4.07Å; L21-L27 HydrophobicContact CD2-CG 4.24Å; L21-L27 HydrophobicContact CG-CD1 3.77Å; L21-L27 HydrophobicContact CG-CG 4.44Å; F25-L27 HydrophobicContact CB-CD2 3.86Å; L27-L29 HydrophobicContact CB-CD1 3.87Å; L27-V47 HydrophobicContact CB-CB 4.26Å; L27-V47 HydrophobicContact CB-CG1 3.86Å; L27-V47 HydrophobicContact CD1-CG1 4.17Å; L27-K48 PolarHBondContact O-N 3.48Å
28T98.6Very high96.4Very high1 Ų151.1 Ų51.11%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-109.6124.7163.3-61.30000108.8V3 L4 M5 K48 I50 L65 Y71V3-T28 PolarHBondContact O-N 3.5Å; L4-T28 CarbonylContact C-O 3.56Å; L4-T28 WeakPolarHBondContact CA-O 3.48Å; L4-T28 HydrophobicContact CD1-CG2 3.77Å; L4-T28 WeakPolarHBondContact CD1-O 3.45Å; M5-T28 PolarHBondContact N-O 3.31Å; T28-K48 CarbonylContact C-O 3.36Å; T28-K48 WeakPolarHBondContact CA-O 3.4Å; T28-K48 HydrophobicContact CG2-CB 4.44Å; T28-K48 HydrophobicContact CG2-CD 4.46Å; T28-K48 HydrophobicContact CG2-CG 4.44Å; T28-I50 HydrophobicContact CG2-CD1 3.8Å; T28-I50 HydrophobicContact CG2-CG1 4.33Å; T28-L65 HydrophobicContact CG2-CD1 4.1Å; T28-Y71 WeakPolarHBondContact OG1-CE1 3.47Å; T28-Y71 PolarHBondContact OG1-OH 2.91Å
29L98.3Very high96.2Very high0 Ų048.3 Ų48.30%024%0.239CC..EExtended strand (participates in β ladder)trans-110131.4178.9-89.164000111.2M5 L27 W35 V43 V47 K48 I50M5-L29 HydrophobicContact CB-CD1 4.05Å; M5-L29 HydrophobicContact CB-CG 4.11Å; M5-L29 HydrophobicContact CG-CD1 4.39Å; M5-L29 CarbonylContact O-C 3.44Å; M5-L29 WeakPolarHBondContact O-CA 3.37Å; M5-L29 HydrophobicContact SD-CD1 3.9Å; L27-L29 HydrophobicContact CB-CD1 3.87Å; L29-W35 HydrophobicContact CD2-CH2 4.19Å; L29-W35 HydrophobicContact CD2-CZ3 4.49Å; L29-V43 HydrophobicContact CD2-CG1 3.91Å; L29-V47 HydrophobicContact CB-CG2 4.45Å; L29-V47 HydrophobicContact CD1-CB 4.1Å; L29-V47 HydrophobicContact CD1-CG1 4.04Å; L29-V47 HydrophobicContact CD1-CG2 4.28Å; L29-V47 HydrophobicContact CD2-CG2 4.27Å; L29-K48 PolarHBondContact N-O 3.22Å; L29-I50 PolarHBondContact O-N 3.18Å
30L97.7Very high96.1Very high3 Ų347.7 Ų47.72%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-110.7109.6174.5-63.8-178.2000110.3L4 M5 F6 G7 I50 C52 F60 L65L4-L30 HydrophobicContact CD1-CD1 3.83Å; L4-L30 HydrophobicContact CD1-CG 3.82Å; L4-L30 HydrophobicContact CD2-CD1 4.31Å; L4-L30 HydrophobicContact CG-CD1 4.42Å; M5-L30 PolarHBondContact O-N 3.31Å; F6-L30 WeakPolarHBondContact CA-O 3.32Å; F6-L30 HydrophobicContact CD1-CB 3.9Å; F6-L30 HydrophobicContact CD1-CD1 4.06Å; F6-L30 HydrophobicContact CE1-CB 4.16Å; F6-L30 HydrophobicContact CE1-CD1 3.53Å; F6-L30 HydrophobicContact CE1-CG 4.49Å; F6-L30 HydrophobicContact CE2-CD1 4Å; F6-L30 HydrophobicContact CG-CB 4.35Å; F6-L30 HydrophobicContact CZ-CD1 3.49Å; F6-L30 VanDerWaalsContact CZ-CD1 3.49Å; G7-L30 PolarHBondContact N-O 3.09Å; L30-I50 HydrophobicContact CD2-CB 3.62Å; L30-I50 HydrophobicContact CD2-CD1 4.37Å; L30-I50 HydrophobicContact CD2-CG2 4.02Å; L30-C52 HydrophobicContact CB-CB 3.74Å; L30-C52 HydrophobicContact CD2-CB 4.17Å; L30-C52 HydrophobicContact CG-CB 4.44Å; L30-F60 HydrophobicContact CD1-CZ 4.13Å; L30-F60 HydrophobicContact CD2-CE2 3.86Å; L30-F60 HydrophobicContact CD2-CZ 3.67Å; L30-L65 HydrophobicContact CD1-CD1 4.27Å; L30-L65 HydrophobicContact CD1-CD2 4.07Å; L30-L65 HydrophobicContact CD2-CD1 4.5Å
31N96.3Very high96Very high9 Ų953.6 Ų53.65%0.04827%0.268CS..EExtended strand (participates in β ladder)trans-159.4170.2176.36261000111.9G7 N9 G33 W49 C52G7-N31 PolarHBondContact O-ND2 3.44Å; N9-N31 WeakPolarHBondContact OD1-CB 3.31Å; N9-N31 PolarHBondContact OD1-ND2 3.33Å; N31-G33 PolarHBondContact O-N 3.38Å; N31-G33 WeakPolarHBondContact OD1-CA 3.45Å; N31-G33 PolarHBondContact OD1-N 3.24Å; N31-W49 PolarHBondContact O-NE1 3.26Å; N31-W49 PolarHBondContact OD1-NE1 3.1Å; N31-C52 CarbonylContact C-O 3.32Å; N31-C52 PolarHBondContact O-N 3.19Å
32R95.7Very high95.8Very high106 Ų10653.2 Ų53.240%0.427%0.268SS..  trans-72.30.7-179.8-63.4-170.7-69.6-155.1-3.7114.8Y51 C52 D53 E55R32-Y51 HydrophobicContact CB-CE2 4.42Å; R32-Y51 WeakPolarHBondContact O-CE2 3.46Å; R32-C52 WeakPolarHBondContact CG-O 3.34Å; R32-C52 PolarHBondContact N-O 2.86Å; R32-D53 HydrophobicContact CG-CB 4.21Å; R32-E55 IonicContact CZ-OE1 2.89Å; R32-E55 IonicContact NH1-OE1 2.84Å; R32-E55 PolarHBondContact NH1-OE1 2.75Å; R32-E55 IonicContact NH1-OE2 3.7Å
33G94.8Very high95.8Very high24 Ų2449.8 Ų49.825%0.24724%0.241CC..SBendtrans79.816.3-178.500000115.1N31 W35N31-G33 PolarHBondContact O-N 3.38Å; N31-G33 WeakPolarHBondContact OD1-CA 3.45Å; N31-G33 PolarHBondContact OD1-N 3.24Å; G33-W35 VanDerWaalsContact C-N 3.35Å; G33-W35 PolarHBondContact O-N 3.02Å; G33-W35 VanDerWaalsContact O-N 3.09Å
34H92.2Very high95.8Very high113 Ų11349.8 Ų49.852%0.52324%0.237SC..  trans-81.279.4173.4-66.2-172.4000110.3N9 R36N9-H34 PolarHBondContact ND2-O 3.02Å; H34-R36 PolarHBondContact O-N 2.9Å
35W93.4Very high95.8Very high39 Ų3945.7 Ų45.715%0.14823%0.225CC..  trans-79.1105.6178.9-59.592.8000109.8N9 L29 G33 A40 V43 K44 W49N9-W35 HydrophobicContact CB-CD2 4.09Å; N9-W35 HydrophobicContact CB-CE3 3.51Å; N9-W35 HydrophobicContact CB-CH2 4.14Å; N9-W35 HydrophobicContact CB-CZ3 3.55Å; L29-W35 HydrophobicContact CD2-CH2 4.19Å; L29-W35 HydrophobicContact CD2-CZ3 4.49Å; G33-W35 VanDerWaalsContact C-N 3.35Å; G33-W35 PolarHBondContact O-N 3.02Å; G33-W35 VanDerWaalsContact O-N 3.09Å; W35-A40 HydrophobicContact CB-CB 3.65Å; W35-A40 HydrophobicContact CG-CB 4.08Å; W35-V43 HydrophobicContact CZ3-CB 4.17Å; W35-V43 HydrophobicContact CZ3-CG1 4.13Å; W35-K44 HydrophobicContact CD2-CB 4.1Å; W35-K44 HydrophobicContact CD2-CD 4.17Å; W35-K44 HydrophobicContact CD2-CG 4.39Å; W35-K44 HydrophobicContact CE3-CB 4Å; W35-K44 HydrophobicContact CG-CD 4.5Å; W35-K44 HydrophobicContact CH2-CB 3.67Å; W35-K44 HydrophobicContact CH2-CG 3.89Å; W35-K44 HydrophobicContact CZ2-CB 3.79Å; W35-K44 HydrophobicContact CZ2-CD 3.88Å; W35-K44 HydrophobicContact CZ2-CG 3.53Å; W35-K44 HydrophobicContact CZ3-CB 3.78Å; W35-K44 HydrophobicContact CZ3-CG 4.46Å; W35-W49 HydrophobicContact CZ2-CB 4.28Å; W35-W49 AromaticContact CZ2-CD1 3.7Å; W35-W49 HydrophobicContact CZ2-CD2 4.23Å; W35-W49 AromaticContact CZ2-CG 3.8Å; W35-W49 HydrophobicContact CZ2-CG 3.8Å
36R86.9Confident95.7Very high116 Ų11651.4 Ų51.444%0.43825%0.25SS..  trans-88.4160.4179.9-62.7-171.8-179.9-161.50.6111.1H34 N38 T39H34-R36 PolarHBondContact O-N 2.9Å; R36-N38 PolarHBondContact O-N 3.03Å; R36-T39 PolarHBondContact N-OG1 2.88Å; R36-T39 WeakPolarHBondContact O-CB 3.27Å; R36-T39 WeakPolarHBondContact O-CG2 3.34Å; R36-T39 PolarHBondContact O-N 2.94Å; R36-T39 VanDerWaalsContact O-N 3.15Å; R36-T39 PolarHBondContact O-OG1 3.48Å
37W93Very high95.7Very high20 Ų2047.4 Ų47.48%0.07623%0.233CC..THydrogen-bonded Turntrans53.9-133.8179.4-50.890000110.6R177 W184 F310 Y311 A314 F318 E321W37-R177 HydrophobicContact CB-CB 4.39Å; W37-R177 HydrophobicContact CB-CG 3.8Å; W37-R177 VanDerWaalsContact CD1-CB 3.46Å; W37-R177 HydrophobicContact CD2-CB 3.88Å; W37-R177 HydrophobicContact CD2-CG 3.77Å; W37-R177 HydrophobicContact CE3-CG 4.25Å; W37-R177 HydrophobicContact CG-CB 3.69Å; W37-R177 HydrophobicContact CG-CG 3.54Å; W37-R177 PolarHBondContact NE1-O 3.45Å; W37-W184 AromaticContact CH2-CE3 3.87Å; W37-W184 HydrophobicContact CH2-CE3 3.87Å; W37-W184 HydrophobicContact CH2-CH2 4.49Å; W37-W184 AromaticContact CH2-CZ3 3.58Å; W37-W184 HydrophobicContact CH2-CZ3 3.58Å; W37-W184 HydrophobicContact CZ3-CH2 4.48Å; W37-W184 AromaticContact CZ3-CZ3 3.98Å; W37-W184 HydrophobicContact CZ3-CZ3 3.98Å; W37-F310 HydrophobicContact CE3-CE1 4.33Å; W37-F310 HydrophobicContact CE3-CZ 4.06Å; W37-F310 HydrophobicContact CH2-CE1 4.43Å; W37-F310 AromaticContact CZ3-CE1 3.98Å; W37-F310 HydrophobicContact CZ3-CE1 3.98Å; W37-F310 HydrophobicContact CZ3-CZ 4.17Å; W37-Y311 AromaticContact CH2-CE1 3.89Å; W37-Y311 HydrophobicContact CH2-CE1 3.89Å; W37-A314 HydrophobicContact CZ3-CB 4.15Å; W37-F318 HydrophobicContact CB-CD1 4.4Å; W37-F318 HydrophobicContact CB-CE1 4.03Å; W37-F318 HydrophobicContact CB-CZ 4.38Å; W37-F318 HydrophobicContact CE3-CB 4.14Å; W37-F318 HydrophobicContact CE3-CD1 4.04Å; W37-F318 AromaticContact CE3-CD2 3.61Å; W37-F318 HydrophobicContact CE3-CD2 3.61Å; W37-F318 HydrophobicContact CE3-CE1 4.38Å; W37-F318 AromaticContact CE3-CE2 3.99Å; W37-F318 HydrophobicContact CE3-CE2 3.99Å; W37-F318 AromaticContact CE3-CG 3.66Å; W37-F318 HydrophobicContact CE3-CG 3.66Å; W37-F318 HydrophobicContact CE3-CZ 4.37Å; W37-F318 HydrophobicContact CZ3-CB 4.18Å; W37-F318 AromaticContact CZ3-CD2 3.89Å; W37-F318 HydrophobicContact CZ3-CD2 3.89Å; W37-F318 HydrophobicContact CZ3-CG 4.08Å; W37-E321 WeakPolarHBondContact CA-OE1 3.46Å; W37-E321 HydrophobicContact CD2-CG 4.07Å; W37-E321 HydrophobicContact CE3-CB 4.49Å; W37-E321 HydrophobicContact CE3-CG 4.21Å; W37-E321 HydrophobicContact CH2-CB 3.97Å; W37-E321 HydrophobicContact CH2-CG 4.21Å; W37-E321 HydrophobicContact CZ2-CB 4.28Å; W37-E321 HydrophobicContact CZ2-CG 4.09Å; W37-E321 HydrophobicContact CZ3-CB 4.09Å; W37-E321 HydrophobicContact CZ3-CG 4.27Å; W37-E321 PolarHBondContact N-OE1 2.76Å
38N93.4Very high95.7Very high58 Ų5851 Ų5131%0.3125%0.249SC..THydrogen-bonded Turntrans-9714.917767.8-19.3000114R36 A40 Q41 S42 R177 F318R36-N38 PolarHBondContact O-N 3.03Å; N38-A40 VanDerWaalsContact C-N 3.26Å; N38-A40 PolarHBondContact O-N 3.45Å; N38-Q41 VanDerWaalsContact CA-OE1 3.29Å; N38-Q41 PolarHBondContact O-N 2.88Å; N38-Q41 PolarHBondContact O-OE1 3.49Å; N38-S42 PolarHBondContact O-N 3.1Å; N38-S42 PolarHBondContact O-OG 3.08Å; N38-R177 PolarHBondContact OD1-NH1 2.9Å; N38-R177 VanDerWaalsContact OD1-NH1 3.15Å; N38-F318 HydrophobicContact CB-CE1 4.03Å; N38-F318 HydrophobicContact CB-CZ 4.03Å
39T95.6Very high95.7Very high0 Ų055 Ų550%026%0.264CS..Hα-helixtrans-70.3-21.7-17260.50000113.6N9 R36 Q41 V43 K44N9-T39 PolarHBondContact O-OG1 3.27Å; R36-T39 PolarHBondContact N-OG1 2.88Å; R36-T39 WeakPolarHBondContact O-CB 3.27Å; R36-T39 WeakPolarHBondContact O-CG2 3.34Å; R36-T39 PolarHBondContact O-N 2.94Å; R36-T39 VanDerWaalsContact O-N 3.15Å; R36-T39 PolarHBondContact O-OG1 3.48Å; T39-Q41 PolarHBondContact O-N 3.25Å; T39-V43 WeakPolarHBondContact O-CB 3.49Å; T39-V43 PolarHBondContact O-N 3.12Å; T39-K44 PolarHBondContact O-N 3.21Å; T39-K44 VanDerWaalsContact O-N 3.14Å
40A96Very high95.6Very high35 Ų3555.7 Ų55.729%0.28927%0.267SS..Hα-helixtrans-63.6-25.8170.500000112.3W35 N38 K44 P45W35-A40 HydrophobicContact CB-CB 3.65Å; W35-A40 HydrophobicContact CG-CB 4.08Å; N38-A40 VanDerWaalsContact C-N 3.26Å; N38-A40 PolarHBondContact O-N 3.45Å; A40-K44 WeakPolarHBondContact O-CB 3.33Å; A40-P45 WeakPolarHBondContact O-CD 3.31Å
41Q95.8Very high95.6Very high125 Ų12561.5 Ų61.558%0.58429%0.29SS*.Hα-helixtrans-100.2-41.6179.9-59.583.2-8.500111.2N38 T39 P45N38-Q41 VanDerWaalsContact CA-OE1 3.29Å; N38-Q41 PolarHBondContact O-N 2.88Å; N38-Q41 PolarHBondContact O-OE1 3.49Å; T39-Q41 PolarHBondContact O-N 3.25Å; Q41-P45 WeakPolarHBondContact O-CD 3.48Å
42S94.9Very high95.6Very high30 Ų3061.2 Ų61.221%0.2129%0.289CS..Hα-helixtrans-83-26.8-174.273.90000114.4E18 N38 F46E18-S42 VanDerWaalsContact OE1-CB 3.29Å; E18-S42 WeakPolarHBondContact OE1-CB 3.38Å; E18-S42 PolarHBondContact OE1-OG 3.08Å; N38-S42 PolarHBondContact O-N 3.1Å; N38-S42 PolarHBondContact O-OG 3.08Å; S42-F46 VanDerWaalsContact O-CD2 3.31Å; S42-F46 WeakPolarHBondContact O-CD2 3.4Å
43V97.6Very high95.5Very high0 Ų056.9 Ų56.90%027%0.273CS..THydrogen-bonded Turntrans-117-55.4-176.1179.20000111.9A17 E18 L29 W35 T39 P45 F46 V47A17-V43 HydrophobicContact CB-CG1 3.85Å; A17-V43 HydrophobicContact CB-CG2 4.37Å; E18-V43 HydrophobicContact CG-CG2 3.86Å; L29-V43 HydrophobicContact CD2-CG1 3.91Å; W35-V43 HydrophobicContact CZ3-CB 4.17Å; W35-V43 HydrophobicContact CZ3-CG1 4.13Å; T39-V43 WeakPolarHBondContact O-CB 3.49Å; T39-V43 PolarHBondContact O-N 3.12Å; V43-P45 VanDerWaalsContact O-N 3.14Å; V43-F46 PolarHBondContact O-N 3.35Å; V43-V47 HydrophobicContact CG1-CG1 4Å; V43-V47 HydrophobicContact CG1-CG2 4.44Å
44K97.6Very high95.3Very high75 Ų7557.1 Ų57.133%0.32627%0.267SS..G310 helixtrans-50.5-42.1-169.9-171.3-175.9-173.91790114.9W35 T39 A40 F46W35-K44 HydrophobicContact CD2-CB 4.1Å; W35-K44 HydrophobicContact CD2-CD 4.17Å; W35-K44 HydrophobicContact CD2-CG 4.39Å; W35-K44 HydrophobicContact CE3-CB 4Å; W35-K44 HydrophobicContact CG-CD 4.5Å; W35-K44 HydrophobicContact CH2-CB 3.67Å; W35-K44 HydrophobicContact CH2-CG 3.89Å; W35-K44 HydrophobicContact CZ2-CB 3.79Å; W35-K44 HydrophobicContact CZ2-CD 3.88Å; W35-K44 HydrophobicContact CZ2-CG 3.53Å; W35-K44 HydrophobicContact CZ3-CB 3.78Å; W35-K44 HydrophobicContact CZ3-CG 4.46Å; T39-K44 PolarHBondContact O-N 3.21Å; T39-K44 VanDerWaalsContact O-N 3.14Å; A40-K44 WeakPolarHBondContact O-CB 3.33Å; K44-F46 PolarHBondContact O-N 3.02Å
45P97.8Very high95.2Very high86 Ų8658.6 Ų58.656%0.55827%0.274SS*.G310 helixtrans-68.6-15.6-177.4-21.536000114.4A40 Q41 V43A40-P45 WeakPolarHBondContact O-CD 3.31Å; Q41-P45 WeakPolarHBondContact O-CD 3.48Å; V43-P45 VanDerWaalsContact O-N 3.14Å
46F98.1Very high95.2Very high132 Ų13264.1 Ų64.158%0.57930%0.295SS*.G310 helixtrans-108.23.7-171.1-52.4-72.6000113.2L21 S42 V43 K44L21-F46 HydrophobicContact CD1-CB 3.71Å; L21-F46 HydrophobicContact CD2-CB 4Å; L21-F46 VanDerWaalsContact CD2-O 3.27Å; L21-F46 WeakPolarHBondContact CD2-O 3.44Å; L21-F46 HydrophobicContact CG-CB 4.46Å; S42-F46 VanDerWaalsContact O-CD2 3.31Å; S42-F46 WeakPolarHBondContact O-CD2 3.4Å; V43-F46 PolarHBondContact O-N 3.35Å; K44-F46 PolarHBondContact O-N 3.02Å
47V98.2Very high95.4Very high21 Ų2160.5 Ų60.513%0.12729%0.286CS..SBendtrans-128.6157.1-176.3-54.30000111L21 L27 L29 V43 W49L21-V47 HydrophobicContact CD1-CG1 4.02Å; L21-V47 HydrophobicContact CD2-CG1 4.2Å; L21-V47 HydrophobicContact CG-CG1 4.49Å; L27-V47 HydrophobicContact CB-CB 4.26Å; L27-V47 HydrophobicContact CB-CG1 3.86Å; L27-V47 HydrophobicContact CD1-CG1 4.17Å; L29-V47 HydrophobicContact CB-CG2 4.45Å; L29-V47 HydrophobicContact CD1-CB 4.1Å; L29-V47 HydrophobicContact CD1-CG1 4.04Å; L29-V47 HydrophobicContact CD1-CG2 4.28Å; L29-V47 HydrophobicContact CD2-CG2 4.27Å; V43-V47 HydrophobicContact CG1-CG1 4Å; V43-V47 HydrophobicContact CG1-CG2 4.44Å; V47-W49 PolarHBondContact O-N 2.79Å
48K98Very high95.4Very high78 Ų7866.3 Ų66.334%0.33932%0.319SS..EExtended strand (participates in β ladder)trans-77.7109.4162.4-174.8177.9-173.8178.80108.4L27 T28 L29 I50 E64L27-K48 PolarHBondContact O-N 3.48Å; T28-K48 CarbonylContact C-O 3.36Å; T28-K48 WeakPolarHBondContact CA-O 3.4Å; T28-K48 HydrophobicContact CG2-CB 4.44Å; T28-K48 HydrophobicContact CG2-CD 4.46Å; T28-K48 HydrophobicContact CG2-CG 4.44Å; L29-K48 PolarHBondContact N-O 3.22Å; K48-I50 HydrophobicContact CD-CD1 4.4Å; K48-I50 HydrophobicContact CG-CG1 4.35Å; K48-E64 PolarHBondContact NZ-O 2.83Å
49W97.7Very high95.4Very high86 Ų8667.7 Ų67.733%0.32633%0.33SS..EExtended strand (participates in β ladder)trans-97.5129.2174.317161.3000110.5N31 W35 V47 Y51N31-W49 PolarHBondContact O-NE1 3.26Å; N31-W49 PolarHBondContact OD1-NE1 3.1Å; W35-W49 HydrophobicContact CZ2-CB 4.28Å; W35-W49 AromaticContact CZ2-CD1 3.7Å; W35-W49 HydrophobicContact CZ2-CD2 4.23Å; W35-W49 AromaticContact CZ2-CG 3.8Å; W35-W49 HydrophobicContact CZ2-CG 3.8Å; V47-W49 PolarHBondContact O-N 2.79Å; W49-Y51 HydrophobicContact CZ2-CD2 4.3Å
50I97.6Very high95.4Very high13 Ų1368.5 Ų68.57%0.06733%0.333CS..EExtended strand (participates in β ladder)trans-122.5129.8172.5-54.8167.6000107.1T28 L29 L30 K48 C52 F60 E64 L65T28-I50 HydrophobicContact CG2-CD1 3.8Å; T28-I50 HydrophobicContact CG2-CG1 4.33Å; L29-I50 PolarHBondContact O-N 3.18Å; L30-I50 HydrophobicContact CD2-CB 3.62Å; L30-I50 HydrophobicContact CD2-CD1 4.37Å; L30-I50 HydrophobicContact CD2-CG2 4.02Å; K48-I50 HydrophobicContact CD-CD1 4.4Å; K48-I50 HydrophobicContact CG-CG1 4.35Å; I50-C52 PolarHBondContact O-N 2.82Å; I50-F60 HydrophobicContact CG2-CE2 3.87Å; I50-F60 HydrophobicContact CG2-CZ 4.19Å; I50-E64 HydrophobicContact CD1-CB 3.77Å; I50-E64 HydrophobicContact CG1-CB 4.24Å; I50-L65 HydrophobicContact CD1-CB 4.16Å; I50-L65 HydrophobicContact CD1-CD1 4.4Å
51Y96.7Very high95.4Very high125 Ų12571.7 Ų71.749%0.4935%0.345SS..EExtended strand (participates in β ladder)trans-62.7128.8177.4178-90.2000110.3R32 W49 D53 F60R32-Y51 HydrophobicContact CB-CE2 4.42Å; R32-Y51 WeakPolarHBondContact O-CE2 3.46Å; W49-Y51 HydrophobicContact CZ2-CD2 4.3Å; Y51-D53 HydrophobicContact CE1-CB 4.19Å; Y51-F60 WeakPolarHBondContact O-CD2 3.06Å; Y51-F60 WeakPolarHBondContact O-CE2 3.33Å
52C95.8Very high95.3Very high4 Ų466.6 Ų66.63%0.02732%0.321CS..  trans-144.4122.2177.3-173.80000110.5L30 N31 R32 I50 F60L30-C52 HydrophobicContact CB-CB 3.74Å; L30-C52 HydrophobicContact CD2-CB 4.17Å; L30-C52 HydrophobicContact CG-CB 4.44Å; N31-C52 CarbonylContact C-O 3.32Å; N31-C52 PolarHBondContact O-N 3.19Å; R32-C52 WeakPolarHBondContact CG-O 3.34Å; R32-C52 PolarHBondContact N-O 2.86Å; I50-C52 PolarHBondContact O-N 2.82Å; C52-F60 HydrophobicContact CB-CD2 3.88Å; C52-F60 HydrophobicContact CB-CE2 3.71Å
53D94.3Very high95.4Very high14 Ų1469.5 Ų69.58%0.07534%0.338CS..  trans-109.2109.1169-172.7-0.7000109.4R32 Y51 E55 R56R32-D53 HydrophobicContact CG-CB 4.21Å; Y51-D53 HydrophobicContact CE1-CB 4.19Å; D53-E55 PolarHBondContact O-N 2.9Å; D53-E55 PolarHBondContact OD1-N 3.48Å; D53-E55 VanDerWaalsContact OD1-N 3.13Å; D53-R56 HydrophobicContact CB-CB 4.46Å; D53-R56 CarbonylContact O-C 3.55Å; D53-R56 PolarHBondContact O-N 3.31Å; D53-R56 VanDerWaalsContact O-N 3.08Å; D53-R56 IonicContact OD2-NE 3.87Å
54R91.7Very high95.3Very high29 Ų2974.4 Ų74.411%0.10936%0.361CS..THydrogen-bonded Turntrans-70.5-19.1-177.9-62.4-163.5-150.1-141.317.6113.9R56 D76 F88R54-R56 PolarHBondContact O-N 3.14Å; R54-D76 IonicContact CZ-OD1 2.67Å; R54-D76 IonicContact CZ-OD2 3.45Å; R54-D76 IonicContact NH1-OD1 3.91Å; R54-D76 PolarHBondContact NH1-OD1 3.16Å; R54-D76 IonicContact NH1-OD2 3.35Å; R54-D76 PolarHBondContact NH1-OD2 2.66Å; R54-D76 VanDerWaalsContact NH2-CG 3.29Å; R54-D76 IonicContact NH2-OD1 2.86Å; R54-D76 PolarHBondContact NH2-OD1 2.96Å; R54-D76 IonicContact NH2-OD2 2.73Å; R54-D76 PolarHBondContact NH2-OD2 2.98Å; R54-F88 HydrophobicContact CB-CE2 4.32Å; R54-F88 HydrophobicContact CG-CE2 4.23Å
55E89.9Confident95.3Very high145 Ų14570.9 Ų70.968%0.67835%0.345SS*.THydrogen-bonded Turntrans-75.7-11.5174.9-63.2170-151.300111R32 D53R32-E55 IonicContact CZ-OE1 2.89Å; R32-E55 IonicContact NH1-OE1 2.84Å; R32-E55 PolarHBondContact NH1-OE1 2.75Å; R32-E55 IonicContact NH1-OE2 3.7Å; D53-E55 PolarHBondContact O-N 2.9Å; D53-E55 PolarHBondContact OD1-N 3.48Å; D53-E55 VanDerWaalsContact OD1-N 3.13Å
56R92.6Very high95.2Very high154 Ų15471.6 Ų71.658%0.58134%0.341SS*.  trans-132.157.7180-56.9-177.8-176-171.41.3111.6D53 R54 D58 T59D53-R56 HydrophobicContact CB-CB 4.46Å; D53-R56 CarbonylContact O-C 3.55Å; D53-R56 PolarHBondContact O-N 3.31Å; D53-R56 VanDerWaalsContact O-N 3.08Å; D53-R56 IonicContact OD2-NE 3.87Å; R54-R56 PolarHBondContact O-N 3.14Å; R56-D58 VanDerWaalsContact C-OD1 3.28Å; R56-D58 PolarHBondContact O-N 3.22Å; R56-D58 VanDerWaalsContact O-N 3.16Å; R56-T59 HydrophobicContact CB-CG2 3.98Å; R56-T59 WeakPolarHBondContact CB-OG1 3.47Å; R56-T59 PolarHBondContact O-N 3.31Å; R56-T59 PolarHBondContact O-OG1 3.35Å
57P91.6Very high95.1Very high40 Ų4069.3 Ų69.326%0.2635%0.347SS..G310 helixtrans-63.8-24.2-170.828.1-35.8000113.8T59 F60 P87 F88P57-T59 PolarHBondContact O-N 2.94Å; P57-F60 PolarHBondContact O-N 2.61Å; P57-P87 HydrophobicContact CB-CB 3.45Å; P57-P87 VanDerWaalsContact CB-CB 3.45Å; P57-P87 HydrophobicContact CB-CG 4.07Å; P57-P87 HydrophobicContact CG-CB 3.77Å; P57-P87 HydrophobicContact CG-CG 3.92Å; P57-F88 HydrophobicContact CB-CE2 3.76Å; P57-F88 HydrophobicContact CB-CZ 3.9Å
58D93.1Very high94.8Very high142 Ų14268.7 Ų68.776%0.75934%0.344SS*.G310 helixtrans-67.4-22.8174.959.6-52.3000113.1R56R56-D58 VanDerWaalsContact C-OD1 3.28Å; R56-D58 PolarHBondContact O-N 3.22Å; R56-D58 VanDerWaalsContact O-N 3.16Å
59T92.9Very high94.6Very high88 Ų8865.9 Ų65.954%0.5434%0.337SS..G310 helixtrans-89.2-8.5-179.969.80000113.8R56 P57 D61R56-T59 HydrophobicContact CB-CG2 3.98Å; R56-T59 WeakPolarHBondContact CB-OG1 3.47Å; R56-T59 PolarHBondContact O-N 3.31Å; R56-T59 PolarHBondContact O-OG1 3.35Å; P57-T59 PolarHBondContact O-N 2.94Å; T59-D61 PolarHBondContact O-N 3.44Å
60F95.7Very high94.6Very high17 Ų1766.6 Ų66.68%0.07535%0.353CS..  trans-76.9121.8-175-176.8-109.4000111.6L30 I50 Y51 C52 P57 W62 L65 F88L30-F60 HydrophobicContact CD1-CZ 4.13Å; L30-F60 HydrophobicContact CD2-CE2 3.86Å; L30-F60 HydrophobicContact CD2-CZ 3.67Å; I50-F60 HydrophobicContact CG2-CE2 3.87Å; I50-F60 HydrophobicContact CG2-CZ 4.19Å; Y51-F60 WeakPolarHBondContact O-CD2 3.06Å; Y51-F60 WeakPolarHBondContact O-CE2 3.33Å; C52-F60 HydrophobicContact CB-CD2 3.88Å; C52-F60 HydrophobicContact CB-CE2 3.71Å; P57-F60 PolarHBondContact O-N 2.61Å; F60-W62 AromaticContact CD1-CD1 3.82Å; F60-W62 AromaticContact CD1-CD2 3.9Å; F60-W62 HydrophobicContact CD1-CD2 3.9Å; F60-W62 AromaticContact CD1-CE2 3.56Å; F60-W62 HydrophobicContact CD1-CG 4.1Å; F60-W62 AromaticContact CD1-CZ2 3.98Å; F60-W62 HydrophobicContact CD1-CZ2 3.98Å; F60-W62 AromaticContact CD1-NE1 3.51Å; F60-W62 AromaticContact CE1-CD2 3.92Å; F60-W62 HydrophobicContact CE1-CD2 3.92Å; F60-W62 AromaticContact CE1-CE2 3.99Å; F60-W62 HydrophobicContact CE1-CE3 4.18Å; F60-W62 HydrophobicContact CE1-CG 4.25Å; F60-W62 HydrophobicContact CE1-CZ2 4.34Å; F60-W62 HydrophobicContact CE1-CZ3 4.49Å; F60-W62 PolarHBondContact O-NE1 3.01Å; F60-L65 HydrophobicContact CE1-CB 4.49Å; F60-L65 HydrophobicContact CE1-CD2 3.91Å; F60-L65 HydrophobicContact CZ-CB 4.37Å; F60-L65 HydrophobicContact CZ-CD2 4.15Å; F60-F88 HydrophobicContact CB-CE1 4.17Å; F60-F88 HydrophobicContact CD1-CD1 4.36Å; F60-F88 AromaticContact CD1-CE1 3.78Å; F60-F88 HydrophobicContact CD1-CE1 3.78Å; F60-F88 HydrophobicContact CE1-CE1 4.37Å; F60-F88 AromaticContact CG-CE1 3.95Å; F60-F88 HydrophobicContact CG-CE1 3.95Å
61D94.9Very high94.6Very high102 Ų10266.4 Ų66.455%0.54535%0.352SS..  trans-80.9119.9172.5-174.3-3.4000110.5T59 T63T59-D61 PolarHBondContact O-N 3.44Å; D61-T63 VanDerWaalsContact OD1-CB 3.24Å; D61-T63 WeakPolarHBondContact OD1-CB 3.22Å; D61-T63 PolarHBondContact OD1-N 2.89Å; D61-T63 PolarHBondContact OD1-OG1 2.73Å
62W95.4Very high94.7Very high17 Ų1764.8 Ų64.86%0.06435%0.351CS..  trans-84.9-14.7-176.4-70.274.9000113.2F60 E64 L65 E66 F88 R91 L92F60-W62 AromaticContact CD1-CD1 3.82Å; F60-W62 AromaticContact CD1-CD2 3.9Å; F60-W62 HydrophobicContact CD1-CD2 3.9Å; F60-W62 AromaticContact CD1-CE2 3.56Å; F60-W62 HydrophobicContact CD1-CG 4.1Å; F60-W62 AromaticContact CD1-CZ2 3.98Å; F60-W62 HydrophobicContact CD1-CZ2 3.98Å; F60-W62 AromaticContact CD1-NE1 3.51Å; F60-W62 AromaticContact CE1-CD2 3.92Å; F60-W62 HydrophobicContact CE1-CD2 3.92Å; F60-W62 AromaticContact CE1-CE2 3.99Å; F60-W62 HydrophobicContact CE1-CE3 4.18Å; F60-W62 HydrophobicContact CE1-CG 4.25Å; F60-W62 HydrophobicContact CE1-CZ2 4.34Å; F60-W62 HydrophobicContact CE1-CZ3 4.49Å; F60-W62 PolarHBondContact O-NE1 3.01Å; W62-E64 VanDerWaalsContact C-N 3.34Å; W62-E64 PolarHBondContact O-N 2.92Å; W62-L65 HydrophobicContact CE3-CD2 3.82Å; W62-L65 HydrophobicContact CZ3-CD2 3.71Å; W62-L65 PolarHBondContact O-N 2.84Å; W62-E66 HydrophobicContact CB-CG 4.24Å; W62-E66 WeakPolarHBondContact O-CB 3.46Å; W62-E66 WeakPolarHBondContact O-CG 3.38Å; W62-E66 PolarHBondContact O-N 2.91Å; W62-F88 HydrophobicContact CH2-CB 4.03Å; W62-F88 AromaticContact CH2-CD1 3.6Å; W62-F88 HydrophobicContact CH2-CD1 3.6Å; W62-F88 HydrophobicContact CH2-CG 4.25Å; W62-F88 HydrophobicContact CZ2-CB 4.45Å; W62-F88 AromaticContact CZ2-CD1 3.51Å; W62-F88 HydrophobicContact CZ2-CD1 3.51Å; W62-F88 HydrophobicContact CZ2-CE1 4.12Å; W62-F88 HydrophobicContact CZ2-CG 4.29Å; W62-R91 HydrophobicContact CD2-CB 4.34Å; W62-R91 VanDerWaalsContact CE2-CD 3.43Å; W62-R91 HydrophobicContact CE3-CB 3.82Å; W62-R91 HydrophobicContact CE3-CG 4.49Å; W62-R91 HydrophobicContact CH2-CB 3.47Å; W62-R91 VanDerWaalsContact CH2-CB 3.47Å; W62-R91 HydrophobicContact CH2-CG 4.32Å; W62-R91 HydrophobicContact CZ2-CB 4.01Å; W62-R91 HydrophobicContact CZ2-CG 4.39Å; W62-R91 HydrophobicContact CZ3-CB 3.36Å; W62-R91 HydrophobicContact CZ3-CG 4.38Å; W62-L92 HydrophobicContact CZ3-CD2 4.38Å
63T96.2Very high94.8Very high92 Ų9264.6 Ų64.656%0.56435%0.35SS*.Hα-helixtrans-54.2-49-170.4-53.80000111.9D61 A67D61-T63 VanDerWaalsContact OD1-CB 3.24Å; D61-T63 WeakPolarHBondContact OD1-CB 3.22Å; D61-T63 PolarHBondContact OD1-N 2.89Å; D61-T63 PolarHBondContact OD1-OG1 2.73Å; T63-A67 WeakPolarHBondContact O-CB 3.48Å; T63-A67 PolarHBondContact O-N 2.91Å; T63-A67 VanDerWaalsContact O-N 3.1Å
64E95.6Very high95Very high103 Ų10364 Ų6448%0.48135%0.347SS..Hα-helixtrans-70.1-33.9-179.4-72.2-166.1-149.500113.3K48 I50 W62 G68K48-E64 PolarHBondContact NZ-O 2.83Å; I50-E64 HydrophobicContact CD1-CB 3.77Å; I50-E64 HydrophobicContact CG1-CB 4.24Å; W62-E64 VanDerWaalsContact C-N 3.34Å; W62-E64 PolarHBondContact O-N 2.92Å; E64-G68 PolarHBondContact O-N 3.05Å
65L96.7Very high95.3Very high0 Ų062.6 Ų62.60%034%0.341CS..Hα-helixtrans-71.4-45-179-178.366.1000110.6L4 T28 L30 I50 F60 W62 G68 G69 Y71 L92 L95L4-L65 HydrophobicContact CD1-CD1 3.46Å; L4-L65 VanDerWaalsContact CD1-CD1 3.46Å; L4-L65 HydrophobicContact CD2-CD1 3.88Å; L4-L65 HydrophobicContact CD2-CD2 4.34Å; L4-L65 HydrophobicContact CG-CD1 4.31Å; T28-L65 HydrophobicContact CG2-CD1 4.1Å; L30-L65 HydrophobicContact CD1-CD1 4.27Å; L30-L65 HydrophobicContact CD1-CD2 4.07Å; L30-L65 HydrophobicContact CD2-CD1 4.5Å; I50-L65 HydrophobicContact CD1-CB 4.16Å; I50-L65 HydrophobicContact CD1-CD1 4.4Å; F60-L65 HydrophobicContact CE1-CB 4.49Å; F60-L65 HydrophobicContact CE1-CD2 3.91Å; F60-L65 HydrophobicContact CZ-CB 4.37Å; F60-L65 HydrophobicContact CZ-CD2 4.15Å; W62-L65 HydrophobicContact CE3-CD2 3.82Å; W62-L65 HydrophobicContact CZ3-CD2 3.71Å; W62-L65 PolarHBondContact O-N 2.84Å; L65-G68 PolarHBondContact O-N 2.91Å; L65-G69 PolarHBondContact O-N 3.4Å; L65-Y71 HydrophobicContact CD1-CE2 3.94Å; L65-Y71 HydrophobicContact CG-CE2 4.48Å; L65-Y71 PolarHBondContact O-OH 2.89Å; L65-Y71 VanDerWaalsContact O-OH 3.09Å; L65-L92 HydrophobicContact CD2-CD2 4.33Å; L65-L95 HydrophobicContact CD2-CD1 4Å; L65-L95 HydrophobicContact CG-CD1 3.84Å
66E96.2Very high95.7Very high102 Ų10255.7 Ų55.748%0.47731%0.309SS..Hα-helixtrans-64.6-42.2178.6-70.5176.3167.200111.4W62 G68 G69 L95W62-E66 HydrophobicContact CB-CG 4.24Å; W62-E66 WeakPolarHBondContact O-CB 3.46Å; W62-E66 WeakPolarHBondContact O-CG 3.38Å; W62-E66 PolarHBondContact O-N 2.91Å; E66-G68 PolarHBondContact O-N 3.38Å; E66-G69 PolarHBondContact O-N 3.21Å; E66-L95 HydrophobicContact CB-CD2 4.45Å; E66-L95 HydrophobicContact CG-CD1 4.22Å; E66-L95 HydrophobicContact CG-CD2 4.25Å
67A95.5Very high95.9Very high84 Ų8449.6 Ų49.669%0.69429%0.287SS*.Hα-helixtrans-63.7-23.9174.900000113.6T63T63-A67 WeakPolarHBondContact O-CB 3.48Å; T63-A67 PolarHBondContact O-N 2.91Å; T63-A67 VanDerWaalsContact O-N 3.1Å
68G93.7Very high95.8Very high8 Ų849.5 Ų49.58%0.08229%0.288CS..Hα-helixtrans-83.5-21178.600000114.7K2 E64 L65 E66K2-G68 PolarHBondContact NZ-O 3.47Å; E64-G68 PolarHBondContact O-N 3.05Å; L65-G68 PolarHBondContact O-N 2.91Å; E66-G68 PolarHBondContact O-N 3.38Å
69G93.6Very high95.7Very high18 Ų1842.8 Ų42.819%0.18625%0.251CS..  trans-76.4-175.1-175.300000114.9L65 E66L65-G69 PolarHBondContact O-N 3.4Å; E66-G69 PolarHBondContact O-N 3.21Å
70P96.3Very high95.5Very high101 Ų10145 Ų4566%0.65625%0.251SS*.  cis-69157.9-10.731.3-35.6000112L95P70-L95 CarbonylContact C-O 3.3Å; P70-L95 WeakPolarHBondContact CA-O 3.31Å
71Y98.2Very high95.1Very high10 Ų1045.3 Ų45.34%0.03926%0.255CS..  trans-104.2145.5177.2-58.5-87.1000110.3K2 L4 T28 L65 L95K2-Y71 HydrophobicContact CB-CD1 4Å; L4-Y71 HydrophobicContact CB-CD1 3.83Å; L4-Y71 HydrophobicContact CB-CD2 4.21Å; L4-Y71 HydrophobicContact CB-CE1 4.17Å; L4-Y71 HydrophobicContact CB-CG 3.87Å; T28-Y71 WeakPolarHBondContact OG1-CE1 3.47Å; T28-Y71 PolarHBondContact OG1-OH 2.91Å; L65-Y71 HydrophobicContact CD1-CE2 3.94Å; L65-Y71 HydrophobicContact CG-CE2 4.48Å; L65-Y71 PolarHBondContact O-OH 2.89Å; L65-Y71 VanDerWaalsContact O-OH 3.09Å; Y71-L95 HydrophobicContact CD2-CB 4.12Å; Y71-L95 PolarHBondContact N-O 3.44Å
72N98.1Very high94.9Very high90 Ų9040.7 Ų40.748%0.48123%0.231SC..SBendtrans-70.8-33.9175.2-65.3107.4000111.8M1 K2M1-N72 VanDerWaalsContact CA-OD1 3.31Å; M1-N72 WeakPolarHBondContact CA-OD1 3.48Å; M1-N72 WeakPolarHBondContact CB-OD1 3.42Å; K2-N72 PolarHBondContact N-OD1 3.46Å; K2-N72 WeakPolarHBondContact O-CB 3.5Å; K2-N72 PolarHBondContact O-N 2.62Å; K2-N72 PolarHBondContact O-OD1 2.74Å
73A98.4Very high94.6Very high1 Ų145.3 Ų45.31%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-154.2156.3175.900000111.2L4 H98 I100 L227L4-A73 PolarHBondContact N-O 2.87Å; A73-H98 CarbonylContact C-O 3.57Å; A73-H98 WeakPolarHBondContact CA-O 3.38Å; A73-H98 HydrophobicContact CB-CB 4.45Å; A73-I100 HydrophobicContact CB-CD1 4.4Å; A73-L227 HydrophobicContact CB-CD2 3.55Å
74V98.4Very high94.2Very high0 Ų042.1 Ų42.10%023%0.234CC..EExtended strand (participates in β ladder)trans-105.3134.5163.2-176.90000107.9L4 F6 L92 H98 F99 I100 M163L4-V74 HydrophobicContact CB-CG2 4.27Å; L4-V74 HydrophobicContact CD2-CG1 4.28Å; L4-V74 HydrophobicContact CD2-CG2 4.04Å; L4-V74 HydrophobicContact CG-CG1 4.38Å; L4-V74 CarbonylContact O-C 3.24Å; L4-V74 VanDerWaalsContact O-CA 3.27Å; L4-V74 WeakPolarHBondContact O-CA 3.45Å; F6-V74 HydrophobicContact CD2-CG1 3.85Å; F6-V74 HydrophobicContact CE2-CG1 3.86Å; V74-L92 HydrophobicContact CG1-CD1 4.48Å; V74-L92 HydrophobicContact CG2-CD2 4.44Å; V74-H98 PolarHBondContact N-O 2.96Å; V74-F99 HydrophobicContact CB-CD2 3.91Å; V74-F99 HydrophobicContact CB-CE2 4.23Å; V74-F99 HydrophobicContact CG1-CD2 4Å; V74-F99 HydrophobicContact CG1-CE2 3.78Å; V74-F99 HydrophobicContact CG1-CZ 4.47Å; V74-I100 PolarHBondContact O-N 2.89Å; V74-M163 HydrophobicContact CG2-CE 3.99Å
75I98.6Very high94.1Very high0 Ų037.3 Ų37.30%021%0.212CC..EExtended strand (participates in β ladder)trans-118.1126.6172.8-45.1173.5000108.7V3 L4 M5 F6 V16 L20 F77 I100 I102 I223 L227V3-I75 HydrophobicContact CG1-CD1 3.57Å; V3-I75 HydrophobicContact CG1-CG1 3.79Å; L4-I75 PolarHBondContact O-N 3.41Å; M5-I75 CarbonylContact C-O 3.53Å; M5-I75 VanDerWaalsContact CA-O 3.28Å; M5-I75 WeakPolarHBondContact CA-O 3.48Å; M5-I75 HydrophobicContact CG-CB 4.29Å; M5-I75 HydrophobicContact CG-CD1 4.31Å; F6-I75 PolarHBondContact N-O 3.17Å; V16-I75 HydrophobicContact CG1-CD1 4.41Å; L20-I75 HydrophobicContact CD1-CD1 4.24Å; I75-F77 HydrophobicContact CB-CE2 3.82Å; I75-F77 HydrophobicContact CB-CZ 4.24Å; I75-F77 HydrophobicContact CG2-CD2 4.12Å; I75-F77 HydrophobicContact CG2-CE1 4.13Å; I75-F77 HydrophobicContact CG2-CE2 3.34Å; I75-F77 HydrophobicContact CG2-CZ 3.36Å; I75-I100 CarbonylContact C-O 3.49Å; I75-I100 WeakPolarHBondContact CA-O 3.43Å; I75-I100 HydrophobicContact CB-CB 4.5Å; I75-I100 HydrophobicContact CG1-CB 4.28Å; I75-I100 HydrophobicContact CG1-CD1 4.25Å; I75-I100 HydrophobicContact CG2-CB 4.22Å; I75-I100 HydrophobicContact CG2-CG2 4.21Å; I75-I102 HydrophobicContact CG2-CD1 4.4Å; I75-I102 HydrophobicContact CG2-CG1 4.45Å; I75-I223 HydrophobicContact CD1-CG2 3.68Å; I75-L227 HydrophobicContact CD1-CD1 4.31Å
76D98Very high94Very high1 Ų144.3 Ų44.31%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-116.1103.4-174.8-168.1-31.2000111.7R54 S78 A79 F99 I100 F101 I102R54-D76 IonicContact CZ-OD1 2.67Å; R54-D76 IonicContact CZ-OD2 3.45Å; R54-D76 IonicContact NH1-OD1 3.91Å; R54-D76 PolarHBondContact NH1-OD1 3.16Å; R54-D76 IonicContact NH1-OD2 3.35Å; R54-D76 PolarHBondContact NH1-OD2 2.66Å; R54-D76 VanDerWaalsContact NH2-CG 3.29Å; R54-D76 IonicContact NH2-OD1 2.86Å; R54-D76 PolarHBondContact NH2-OD1 2.96Å; R54-D76 IonicContact NH2-OD2 2.73Å; R54-D76 PolarHBondContact NH2-OD2 2.98Å; D76-S78 PolarHBondContact OD1-N 3.38Å; D76-S78 VanDerWaalsContact OD1-N 3.07Å; D76-A79 VanDerWaalsContact OD1-CB 3.27Å; D76-A79 WeakPolarHBondContact OD1-CB 3.48Å; D76-A79 PolarHBondContact OD1-N 2.93Å; D76-A79 WeakPolarHBondContact OD2-CB 3.43Å; D76-F99 HydrophobicContact CB-CE1 3.64Å; D76-F99 HydrophobicContact CB-CZ 3.56Å; D76-I100 PolarHBondContact N-O 2.81Å; D76-F101 HydrophobicContact CB-CD2 4.28Å; D76-I102 WeakPolarHBondContact O-CB 3.09Å; D76-I102 WeakPolarHBondContact O-CG1 3.48Å; D76-I102 PolarHBondContact O-N 3.37Å
77F96.6Very high93.9Very high26 Ų2642.3 Ų42.311%0.11423%0.234CC..SBendtrans-93.4-16.2176.6-58.9-85.8000113.6M5 F6 I12 V16 I75 I102 I223M5-F77 HydrophobicContact CB-CE2 4.36Å; M5-F77 HydrophobicContact CE-CD2 4.21Å; M5-F77 HydrophobicContact CE-CE2 3.27Å; M5-F77 HydrophobicContact CE-CZ 3.75Å; M5-F77 HydrophobicContact CG-CE2 4.31Å; F6-F77 WeakPolarHBondContact O-CD2 3.5Å; F6-F77 PolarHBondContact O-N 3.46Å; F6-F77 VanDerWaalsContact O-N 3.12Å; I12-F77 HydrophobicContact CB-CD1 4.07Å; I12-F77 HydrophobicContact CB-CE1 4.31Å; I12-F77 HydrophobicContact CG2-CD1 3.89Å; I12-F77 HydrophobicContact CG2-CE1 3.69Å; V16-F77 HydrophobicContact CB-CE1 4.41Å; V16-F77 HydrophobicContact CB-CZ 3.9Å; V16-F77 HydrophobicContact CG1-CZ 3.99Å; V16-F77 HydrophobicContact CG2-CE1 3.88Å; V16-F77 HydrophobicContact CG2-CZ 3.82Å; I75-F77 HydrophobicContact CB-CE2 3.82Å; I75-F77 HydrophobicContact CB-CZ 4.24Å; I75-F77 HydrophobicContact CG2-CD2 4.12Å; I75-F77 HydrophobicContact CG2-CE1 4.13Å; I75-F77 HydrophobicContact CG2-CE2 3.34Å; I75-F77 HydrophobicContact CG2-CZ 3.36Å; F77-I102 HydrophobicContact CD1-CB 4.45Å; F77-I102 HydrophobicContact CD1-CD1 4.41Å; F77-I102 HydrophobicContact CD1-CG1 3.56Å; F77-I102 HydrophobicContact CE1-CD1 4.12Å; F77-I102 HydrophobicContact CE1-CG1 3.75Å; F77-I102 HydrophobicContact CG-CG1 4.19Å; F77-I223 HydrophobicContact CE1-CD1 4.18Å; F77-I223 HydrophobicContact CZ-CD1 4.23Å
78S91Very high93.8Very high38 Ų3838.4 Ų38.427%0.26620%0.202SC..SBendtrans-114.2-1.8-161.3-78.30000113.2G7 D76G7-S78 WeakPolarHBondContact CA-OG 3.29Å; D76-S78 PolarHBondContact OD1-N 3.38Å; D76-S78 VanDerWaalsContact OD1-N 3.07Å
79A90Very high93.9Very high0 Ų038.1 Ų38.10%020%0.198CC..  trans-84.2122.2178.100000109.9D76 C84 I85 F101 K147D76-A79 VanDerWaalsContact OD1-CB 3.27Å; D76-A79 WeakPolarHBondContact OD1-CB 3.48Å; D76-A79 PolarHBondContact OD1-N 2.93Å; D76-A79 WeakPolarHBondContact OD2-CB 3.43Å; A79-C84 HydrophobicContact CB-CB 3.85Å; A79-I85 HydrophobicContact CB-CD1 3.82Å; A79-I85 HydrophobicContact CB-CG1 3.49Å; A79-I85 VanDerWaalsContact CB-CG1 3.49Å; A79-F101 HydrophobicContact CB-CE2 3.93Å; A79-K147 PolarHBondContact O-NZ 3.15Å
80Y88.2Confident93.8Very high135 Ų13546.9 Ų46.953%0.52923%0.225SC..  trans-101-12.5175.2-58.8-69.6000112.4Y143 G146 K147Y80-Y143 AromaticContact CD1-CD2 3.9Å; Y80-Y143 HydrophobicContact CD1-CD2 3.9Å; Y80-Y143 AromaticContact CD1-CE2 3.72Å; Y80-Y143 HydrophobicContact CD1-CE2 3.72Å; Y80-Y143 HydrophobicContact CE1-CE2 4.09Å; Y80-G146 CarbonylContact O-C 3.58Å; Y80-G146 VanDerWaalsContact O-CA 3.24Å; Y80-G146 WeakPolarHBondContact O-CA 3.27Å; Y80-K147 PolarHBondContact O-N 2.95Å
81S88.4Confident93.6Very high24 Ų2448.5 Ų48.517%0.16822%0.218CC..SBendtrans-156.9169.9179.979.70000111.8E83 C84 G146S81-E83 WeakPolarHBondContact CB-OE2 3.27Å; S81-E83 PolarHBondContact O-N 2.77Å; S81-E83 PolarHBondContact OG-N 3.14Å; S81-E83 PolarHBondContact OG-OE2 2.93Å; S81-C84 WeakPolarHBondContact O-CB 3.21Å; S81-C84 PolarHBondContact O-N 3.01Å; S81-C84 VanDerWaalsContact O-N 3.11Å; S81-G146 WeakPolarHBondContact CA-O 3.33Å
82T89.7Confident93.5Very high5 Ų548.1 Ų48.13%0.03122%0.217CC..Hα-helixtrans-58.3-33.5174.3-66.10000112.6C84 I85 R86 L149 A150 F153T82-C84 PolarHBondContact O-N 3.29Å; T82-I85 PolarHBondContact O-N 3.47Å; T82-R86 HydrophobicContact CG2-CB 4.34Å; T82-R86 VanDerWaalsContact CG2-NH2 3.33Å; T82-R86 VanDerWaalsContact O-CB 3.29Å; T82-R86 WeakPolarHBondContact O-CB 3.49Å; T82-R86 PolarHBondContact O-N 2.93Å; T82-L149 PolarHBondContact OG1-O 3.13Å; T82-A150 WeakPolarHBondContact OG1-CA 3.43Å; T82-A150 PolarHBondContact OG1-N 3.1Å; T82-F153 HydrophobicContact CG2-CB 3.65Å; T82-F153 HydrophobicContact CG2-CD1 4.14Å; T82-F153 HydrophobicContact CG2-CD2 3.69Å; T82-F153 HydrophobicContact CG2-CE2 4.4Å; T82-F153 HydrophobicContact CG2-CG 3.53Å
83E89.3Confident93.4Very high114 Ų11446.9 Ų46.953%0.53321%0.208SC..Hα-helixtrans-63-27.3179.1-63.565.7-139.700111.5S81 P87S81-E83 WeakPolarHBondContact CB-OE2 3.27Å; S81-E83 PolarHBondContact O-N 2.77Å; S81-E83 PolarHBondContact OG-N 3.14Å; S81-E83 PolarHBondContact OG-OE2 2.93Å; E83-P87 WeakPolarHBondContact O-CD 3.44Å; E83-P87 WeakPolarHBondContact O-CG 3.38Å
84C88.4Confident93.2Very high25 Ų2552.5 Ų52.517%0.16924%0.241CC..Hα-helixtrans-74.5-29.3173.9-63.20000113.6A79 S81 T82A79-C84 HydrophobicContact CB-CB 3.85Å; S81-C84 WeakPolarHBondContact O-CB 3.21Å; S81-C84 PolarHBondContact O-N 3.01Å; S81-C84 VanDerWaalsContact O-N 3.11Å; T82-C84 PolarHBondContact O-N 3.29Å
85I93.4Very high93.1Very high2 Ų253.3 Ų53.31%0.0125%0.245CC..Hα-helixtrans-95.9-45.6-172.3-56.9-179.8000110.6A79 T82 P87 F88 Y89 F99 F101 A150 F153 L154A79-I85 HydrophobicContact CB-CD1 3.82Å; A79-I85 HydrophobicContact CB-CG1 3.49Å; A79-I85 VanDerWaalsContact CB-CG1 3.49Å; T82-I85 PolarHBondContact O-N 3.47Å; I85-P87 VanDerWaalsContact C-CD 3.45Å; I85-F88 PolarHBondContact O-N 3.42Å; I85-Y89 HydrophobicContact CG2-CD2 4.1Å; I85-Y89 PolarHBondContact O-N 2.97Å; I85-F99 HydrophobicContact CD1-CE1 4.48Å; I85-F99 HydrophobicContact CD1-CZ 4.5Å; I85-F99 HydrophobicContact CG2-CE2 4.39Å; I85-F99 HydrophobicContact CG2-CZ 4.02Å; I85-F101 HydrophobicContact CD1-CD2 4.16Å; I85-F101 HydrophobicContact CD1-CE2 4.07Å; I85-A150 HydrophobicContact CD1-CB 3.88Å; I85-F153 HydrophobicContact CB-CE1 4.33Å; I85-F153 HydrophobicContact CG2-CD1 4.26Å; I85-F153 HydrophobicContact CG2-CE1 3.85Å; I85-L154 HydrophobicContact CD1-CD1 4.46Å; I85-L154 HydrophobicContact CG2-CD2 4.27Å
86R94.4Very high93Very high146 Ų14653.3 Ų53.355%0.55125%0.246SC*.Hα-helixtrans-52.2-43.6-171.1-174.4-173.9-58.8-147.33.4114.2T82 F88 Y89 F153T82-R86 HydrophobicContact CG2-CB 4.34Å; T82-R86 VanDerWaalsContact CG2-NH2 3.33Å; T82-R86 VanDerWaalsContact O-CB 3.29Å; T82-R86 WeakPolarHBondContact O-CB 3.49Å; T82-R86 PolarHBondContact O-N 2.93Å; R86-F88 PolarHBondContact O-N 3.18Å; R86-Y89 PolarHBondContact O-N 2.81Å; R86-F153 HydrophobicContact CB-CE2 4.24Å; R86-F153 HydrophobicContact CB-CZ 4Å; R86-F153 HydrophobicContact CG-CE2 4.04Å; R86-F153 HydrophobicContact CG-CZ 4.09Å
87P93.6Very high92.9Very high61 Ų6160.1 Ų60.140%0.39628%0.277SS..Hα-helixtrans-63.5-27.6-179.6-2335000113.7P57 E83 I85P57-P87 HydrophobicContact CB-CB 3.45Å; P57-P87 VanDerWaalsContact CB-CB 3.45Å; P57-P87 HydrophobicContact CB-CG 4.07Å; P57-P87 HydrophobicContact CG-CB 3.77Å; P57-P87 HydrophobicContact CG-CG 3.92Å; E83-P87 WeakPolarHBondContact O-CD 3.44Å; E83-P87 WeakPolarHBondContact O-CG 3.38Å; I85-P87 VanDerWaalsContact C-CD 3.45Å
88F94.6Very high93Very high2 Ų259.4 Ų59.41%0.00927%0.274CS..Hα-helixtrans-96.3-30.8-177.4-63.4-93.3000112.3F6 R54 P57 F60 W62 I85 R86 R90 R91 L92F6-F88 HydrophobicContact CE1-CD1 4.05Å; F6-F88 HydrophobicContact CE1-CE1 4.35Å; F6-F88 HydrophobicContact CE1-CG 4.2Å; F6-F88 HydrophobicContact CZ-CB 4.18Å; F6-F88 HydrophobicContact CZ-CD1 4.07Å; F6-F88 HydrophobicContact CZ-CG 4.14Å; R54-F88 HydrophobicContact CB-CE2 4.32Å; R54-F88 HydrophobicContact CG-CE2 4.23Å; P57-F88 HydrophobicContact CB-CE2 3.76Å; P57-F88 HydrophobicContact CB-CZ 3.9Å; F60-F88 HydrophobicContact CB-CE1 4.17Å; F60-F88 HydrophobicContact CD1-CD1 4.36Å; F60-F88 AromaticContact CD1-CE1 3.78Å; F60-F88 HydrophobicContact CD1-CE1 3.78Å; F60-F88 HydrophobicContact CE1-CE1 4.37Å; F60-F88 AromaticContact CG-CE1 3.95Å; F60-F88 HydrophobicContact CG-CE1 3.95Å; W62-F88 HydrophobicContact CH2-CB 4.03Å; W62-F88 AromaticContact CH2-CD1 3.6Å; W62-F88 HydrophobicContact CH2-CD1 3.6Å; W62-F88 HydrophobicContact CH2-CG 4.25Å; W62-F88 HydrophobicContact CZ2-CB 4.45Å; W62-F88 AromaticContact CZ2-CD1 3.51Å; W62-F88 HydrophobicContact CZ2-CD1 3.51Å; W62-F88 HydrophobicContact CZ2-CE1 4.12Å; W62-F88 HydrophobicContact CZ2-CG 4.29Å; I85-F88 PolarHBondContact O-N 3.42Å; R86-F88 PolarHBondContact O-N 3.18Å; F88-R90 PolarHBondContact O-N 3.04Å; F88-R91 PolarHBondContact O-N 2.86Å; F88-R91 VanDerWaalsContact O-N 3.13Å; F88-L92 HydrophobicContact CB-CD1 3.78Å; F88-L92 HydrophobicContact CB-CG 4.17Å; F88-L92 WeakPolarHBondContact O-CG 3.45Å; F88-L92 PolarHBondContact O-N 2.8Å
89Y94.7Very high93.3Very high2 Ų257.7 Ų57.71%0.00826%0.262CS..Hα-helixtrans-50.2-50-167.2-171.9-96000114.5I85 R86 R91 L92 K93 F153 L154 E157 G162 M163I85-Y89 HydrophobicContact CG2-CD2 4.1Å; I85-Y89 PolarHBondContact O-N 2.97Å; R86-Y89 PolarHBondContact O-N 2.81Å; Y89-R91 PolarHBondContact O-N 2.89Å; Y89-L92 WeakPolarHBondContact O-CB 3.37Å; Y89-L92 PolarHBondContact O-N 3.26Å; Y89-K93 PolarHBondContact O-N 2.67Å; Y89-F153 HydrophobicContact CD1-CE1 4.5Å; Y89-F153 HydrophobicContact CD1-CZ 4.25Å; Y89-F153 AromaticContact CD2-CE1 4Å; Y89-F153 HydrophobicContact CD2-CE1 4Å; Y89-F153 AromaticContact CG-CE1 3.95Å; Y89-F153 HydrophobicContact CG-CE1 3.95Å; Y89-F153 HydrophobicContact CG-CZ 4.04Å; Y89-L154 HydrophobicContact CD2-CD2 3.97Å; Y89-L154 HydrophobicContact CE2-CD2 3.55Å; Y89-E157 HydrophobicContact CD1-CB 4.39Å; Y89-E157 HydrophobicContact CD1-CG 4.08Å; Y89-E157 HydrophobicContact CE1-CB 3.54Å; Y89-E157 HydrophobicContact CE1-CG 3.73Å; Y89-E157 WeakPolarHBondContact CE1-OE2 3.22Å; Y89-G162 WeakPolarHBondContact OH-CA 3.41Å; Y89-M163 HydrophobicContact CE2-CB 4.37Å; Y89-M163 HydrophobicContact CE2-CG 4.47Å; Y89-M163 HydrophobicContact CE2-SD 4.23Å; Y89-M163 PolarHBondContact OH-N 3.26Å
90R91.4Very high93.7Very high201 Ų20157.7 Ų57.776%0.75826%0.262SS*.Hα-helixtrans-63-39.8-176.6-70.4-175.6179.3165.30.3113.1F88F88-R90 PolarHBondContact O-N 3.04Å
91R92.6Very high94.2Very high135 Ų13551.2 Ų51.251%0.50924%0.237SC..Hα-helixtrans-74.4-36.6176.6-71.9-173.7-179.1171.83110.9W62 F88 Y89 K93 V94W62-R91 HydrophobicContact CD2-CB 4.34Å; W62-R91 VanDerWaalsContact CE2-CD 3.43Å; W62-R91 HydrophobicContact CE3-CB 3.82Å; W62-R91 HydrophobicContact CE3-CG 4.49Å; W62-R91 HydrophobicContact CH2-CB 3.47Å; W62-R91 VanDerWaalsContact CH2-CB 3.47Å; W62-R91 HydrophobicContact CH2-CG 4.32Å; W62-R91 HydrophobicContact CZ2-CB 4.01Å; W62-R91 HydrophobicContact CZ2-CG 4.39Å; W62-R91 HydrophobicContact CZ3-CB 3.36Å; W62-R91 HydrophobicContact CZ3-CG 4.38Å; F88-R91 PolarHBondContact O-N 2.86Å; F88-R91 VanDerWaalsContact O-N 3.13Å; Y89-R91 PolarHBondContact O-N 2.89Å; R91-K93 VanDerWaalsContact C-N 3.32Å; R91-K93 PolarHBondContact O-N 3Å; R91-V94 WeakPolarHBondContact O-CB 3.24Å; R91-V94 PolarHBondContact O-N 3.22Å; R91-V94 VanDerWaalsContact O-N 3.16Å
92L95.9Very high94.7Very high2 Ų250.4 Ų50.41%0.0123%0.23CC..Hα-helixtrans-61.7-36.1173.3-69174.5000113L4 F6 W62 L65 V74 F88 Y89 V94 L95 S96 F99 M163L4-L92 HydrophobicContact CD2-CD2 3.45Å; L4-L92 VanDerWaalsContact CD2-CD2 3.45Å; F6-L92 HydrophobicContact CE2-CD1 3.58Å; F6-L92 HydrophobicContact CE2-CD2 4.12Å; F6-L92 HydrophobicContact CE2-CG 4.47Å; F6-L92 HydrophobicContact CZ-CD1 3.79Å; F6-L92 HydrophobicContact CZ-CD2 4.25Å; W62-L92 HydrophobicContact CZ3-CD2 4.38Å; L65-L92 HydrophobicContact CD2-CD2 4.33Å; V74-L92 HydrophobicContact CG1-CD1 4.48Å; V74-L92 HydrophobicContact CG2-CD2 4.44Å; F88-L92 HydrophobicContact CB-CD1 3.78Å; F88-L92 HydrophobicContact CB-CG 4.17Å; F88-L92 WeakPolarHBondContact O-CG 3.45Å; F88-L92 PolarHBondContact O-N 2.8Å; Y89-L92 WeakPolarHBondContact O-CB 3.37Å; Y89-L92 PolarHBondContact O-N 3.26Å; L92-V94 PolarHBondContact O-N 2.91Å; L92-L95 CarbonylContact O-C 3.48Å; L92-L95 WeakPolarHBondContact O-CA 3.31Å; L92-L95 PolarHBondContact O-N 3.14Å; L92-S96 PolarHBondContact O-N 3.03Å; L92-F99 HydrophobicContact CD1-CE2 4.12Å; L92-M163 HydrophobicContact CB-SD 4.2Å
93K95.3Very high95.1Very high65 Ų6550.2 Ų50.228%0.28323%0.229SC..Hα-helixtrans-57-29.1175.2-177.4-176.2169.8-1780112.7Y89 R91 S96 D161 M163Y89-K93 PolarHBondContact O-N 2.67Å; R91-K93 VanDerWaalsContact C-N 3.32Å; R91-K93 PolarHBondContact O-N 3Å; K93-S96 CarbonylContact C-O 3.51Å; K93-S96 WeakPolarHBondContact CA-O 3.42Å; K93-S96 VanDerWaalsContact O-O 3.08Å; K93-D161 WeakPolarHBondContact CE-O 3.29Å; K93-D161 PolarHBondContact NZ-O 2.77Å; K93-D161 IonicContact NZ-OD2 3.54Å; K93-D161 PolarHBondContact NZ-OD2 3.04Å; K93-M163 HydrophobicContact CB-CG 3.8Å; K93-M163 HydrophobicContact CB-SD 4.24Å; K93-M163 HydrophobicContact CG-CG 3.93Å
94V94.9Very high95.5Very high118 Ų11845.5 Ų45.572%0.71521%0.209SC*.Hα-helixtrans-75.1-30.7175.4-177.30000111.3R91 L92R91-V94 WeakPolarHBondContact O-CB 3.24Å; R91-V94 PolarHBondContact O-N 3.22Å; R91-V94 VanDerWaalsContact O-N 3.16Å; L92-V94 PolarHBondContact O-N 2.91Å
95L96.6Very high95.9Very high17 Ų1744.4 Ų44.49%0.08920%0.201CC..Hα-helixtrans-94.1-20.8-175.1-61.8178.7000113.6L65 E66 P70 Y71 L92L65-L95 HydrophobicContact CD2-CD1 4Å; L65-L95 HydrophobicContact CG-CD1 3.84Å; E66-L95 HydrophobicContact CB-CD2 4.45Å; E66-L95 HydrophobicContact CG-CD1 4.22Å; E66-L95 HydrophobicContact CG-CD2 4.25Å; P70-L95 CarbonylContact C-O 3.3Å; P70-L95 WeakPolarHBondContact CA-O 3.31Å; Y71-L95 HydrophobicContact CD2-CB 4.12Å; Y71-L95 PolarHBondContact N-O 3.44Å; L92-L95 CarbonylContact O-C 3.48Å; L92-L95 WeakPolarHBondContact O-CA 3.31Å; L92-L95 PolarHBondContact O-N 3.14Å
96S96.7Very high96.1Very high1 Ų144.5 Ų44.51%0.00720%0.202CC..  trans-152.8153.2-179.6176.90000110.2L92 K93 H98 M163L92-S96 PolarHBondContact O-N 3.03Å; K93-S96 CarbonylContact C-O 3.51Å; K93-S96 WeakPolarHBondContact CA-O 3.42Å; K93-S96 VanDerWaalsContact O-O 3.08Å; S96-H98 PolarHBondContact OG-N 3.34Å; S96-H98 PolarHBondContact OG-O 2.61Å; S96-H98 VanDerWaalsContact OG-O 3.1Å; S96-M163 WeakPolarHBondContact O-CE 3.48Å
97H95.4Very high96.2Very high144 Ų14437.6 Ų37.667%0.66718%0.176SC*.SBendtrans-106.7-4.9175.6-62-61.2000113.9S164H97-S164 PolarHBondContact O-N 3.26Å; H97-S164 PolarHBondContact O-OG 2.89Å
98H98.1Very high96.4Very high11 Ų1134.7 Ų34.75%0.05116%0.157CC..EExtended strand (participates in β ladder)trans-129129.7-178.1-164.659.6000112A73 V74 S96 M163 S164 T166 I234A73-H98 CarbonylContact C-O 3.57Å; A73-H98 WeakPolarHBondContact CA-O 3.38Å; A73-H98 HydrophobicContact CB-CB 4.45Å; V74-H98 PolarHBondContact N-O 2.96Å; S96-H98 PolarHBondContact OG-N 3.34Å; S96-H98 PolarHBondContact OG-O 2.61Å; S96-H98 VanDerWaalsContact OG-O 3.1Å; H98-M163 WeakPolarHBondContact O-CE 3.4Å; H98-S164 CarbonylContact C-O 3.09Å; H98-S164 WeakPolarHBondContact CA-O 3.28Å; H98-S164 PolarHBondContact ND1-OG 2.63Å; H98-T166 PolarHBondContact CE1-OG1 2.91Å; H98-T166 PolarHBondContact NE2-OG1 3.07Å; H98-I234 WeakPolarHBondContact ND1-CD1 3.34Å
99F98.3Very high96.4Very high1 Ų136.8 Ų36.80%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-121.8111.9-177.8-161.8-79.2000110.5V74 D76 I85 L92 F101 L154 M163 S164 Y165 T166V74-F99 HydrophobicContact CB-CD2 3.91Å; V74-F99 HydrophobicContact CB-CE2 4.23Å; V74-F99 HydrophobicContact CG1-CD2 4Å; V74-F99 HydrophobicContact CG1-CE2 3.78Å; V74-F99 HydrophobicContact CG1-CZ 4.47Å; D76-F99 HydrophobicContact CB-CE1 3.64Å; D76-F99 HydrophobicContact CB-CZ 3.56Å; I85-F99 HydrophobicContact CD1-CE1 4.48Å; I85-F99 HydrophobicContact CD1-CZ 4.5Å; I85-F99 HydrophobicContact CG2-CE2 4.39Å; I85-F99 HydrophobicContact CG2-CZ 4.02Å; L92-F99 HydrophobicContact CD1-CE2 4.12Å; F99-F101 HydrophobicContact CD1-CB 4.12Å; F99-F101 HydrophobicContact CE1-CB 4Å; F99-F101 HydrophobicContact CE1-CD2 4.47Å; F99-L154 HydrophobicContact CD1-CD1 3.94Å; F99-L154 HydrophobicContact CD1-CD2 3.91Å; F99-L154 HydrophobicContact CE1-CD1 4.05Å; F99-L154 HydrophobicContact CE1-CD2 4.14Å; F99-L154 HydrophobicContact CG-CD2 4.23Å; F99-M163 HydrophobicContact CB-CB 4.42Å; F99-M163 HydrophobicContact CB-CE 3.85Å; F99-M163 HydrophobicContact CB-SD 4.45Å; F99-M163 HydrophobicContact CD2-CE 4Å; F99-M163 HydrophobicContact CD2-SD 4.18Å; F99-M163 HydrophobicContact CG-CE 4.45Å; F99-S164 PolarHBondContact N-O 3.14Å; F99-Y165 CarbonylContact O-C 3.57Å; F99-Y165 WeakPolarHBondContact O-CA 3.42Å; F99-T166 PolarHBondContact O-N 2.92Å
100I98.6Very high96.4Very high0 Ų036.9 Ų36.90%017%0.167CC..EExtended strand (participates in β ladder)trans-95.7113.3175.1-55.1177000107.8A73 V74 I75 D76 T166 L168 I226 L227A73-I100 HydrophobicContact CB-CD1 4.4Å; V74-I100 PolarHBondContact O-N 2.89Å; I75-I100 CarbonylContact C-O 3.49Å; I75-I100 WeakPolarHBondContact CA-O 3.43Å; I75-I100 HydrophobicContact CB-CB 4.5Å; I75-I100 HydrophobicContact CG1-CB 4.28Å; I75-I100 HydrophobicContact CG1-CD1 4.25Å; I75-I100 HydrophobicContact CG2-CB 4.22Å; I75-I100 HydrophobicContact CG2-CG2 4.21Å; D76-I100 PolarHBondContact N-O 2.81Å; I100-T166 CarbonylContact C-O 3.59Å; I100-T166 VanDerWaalsContact CA-O 3.29Å; I100-T166 WeakPolarHBondContact CA-O 3.37Å; I100-L168 HydrophobicContact CG2-CD1 4.3Å; I100-L168 HydrophobicContact CG2-CG 4.42Å; I100-I226 HydrophobicContact CD1-CG2 3.61Å; I100-I226 HydrophobicContact CG1-CG2 4.4Å; I100-L227 HydrophobicContact CD1-CD2 4.08Å; I100-L227 HydrophobicContact CD1-CG 4.47Å
101F98.6Very high96.5Very high0 Ų027.7 Ų27.70%013%0.134CC..EExtended strand (participates in β ladder)trans-104126.5-179.9178.7-129.2000110.8D76 A79 I85 F99 S103 K147 A150 E151 L154 T166 I167 L168D76-F101 HydrophobicContact CB-CD2 4.28Å; A79-F101 HydrophobicContact CB-CE2 3.93Å; I85-F101 HydrophobicContact CD1-CD2 4.16Å; I85-F101 HydrophobicContact CD1-CE2 4.07Å; F99-F101 HydrophobicContact CD1-CB 4.12Å; F99-F101 HydrophobicContact CE1-CB 4Å; F99-F101 HydrophobicContact CE1-CD2 4.47Å; F101-S103 PolarHBondContact O-N 3.3Å; F101-K147 HydrophobicContact CE1-CD 4.5Å; F101-K147 HydrophobicContact CZ-CD 3.78Å; F101-A150 HydrophobicContact CE1-CB 3.72Å; F101-A150 HydrophobicContact CE2-CB 4.34Å; F101-A150 HydrophobicContact CZ-CB 3.53Å; F101-E151 HydrophobicContact CD1-CG 4.18Å; F101-E151 HydrophobicContact CE1-CG 3.99Å; F101-L154 HydrophobicContact CB-CD1 3.56Å; F101-L154 HydrophobicContact CD1-CD1 3.96Å; F101-L154 HydrophobicContact CG-CD1 3.81Å; F101-T166 PolarHBondContact N-O 2.8Å; F101-I167 HydrophobicContact CB-CG1 4.28Å; F101-I167 HydrophobicContact CD1-CG1 4.34Å; F101-I167 HydrophobicContact CD1-CG2 4.32Å; F101-L168 PolarHBondContact O-N 3.12Å
102I98.4Very high96.2Very high6 Ų627.5 Ų27.53%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-86.1100.6172.6-52.1-54000108.4I12 I75 D76 F77 K147 L168 L170 I223I12-I102 HydrophobicContact CD1-CG2 4.27Å; I75-I102 HydrophobicContact CG2-CD1 4.4Å; I75-I102 HydrophobicContact CG2-CG1 4.45Å; D76-I102 WeakPolarHBondContact O-CB 3.09Å; D76-I102 WeakPolarHBondContact O-CG1 3.48Å; D76-I102 PolarHBondContact O-N 3.37Å; F77-I102 HydrophobicContact CD1-CB 4.45Å; F77-I102 HydrophobicContact CD1-CD1 4.41Å; F77-I102 HydrophobicContact CD1-CG1 3.56Å; F77-I102 HydrophobicContact CE1-CD1 4.12Å; F77-I102 HydrophobicContact CE1-CG1 3.75Å; F77-I102 HydrophobicContact CG-CG1 4.19Å; I102-K147 PolarHBondContact O-NZ 3.18Å; I102-L168 HydrophobicContact CD1-CB 4.37Å; I102-L168 HydrophobicContact CD1-CD1 3.89Å; I102-L168 HydrophobicContact CD1-CG 4.39Å; I102-L170 HydrophobicContact CG2-CD1 3.59Å; I102-L170 HydrophobicContact CG2-CG 4.4Å; I102-I223 HydrophobicContact CD1-CD1 3.91Å
103S98.1Very high95.8Very high2 Ų228.9 Ų28.91%0.01415%0.147CC..EExtended strand (participates in β ladder)trans-96-166.4174.1-162.10000110.8F101 E151 L168 L170F101-S103 PolarHBondContact O-N 3.3Å; S103-E151 WeakPolarHBondContact CB-OE1 3.42Å; S103-E151 PolarHBondContact OG-OE1 3.38Å; S103-L168 CarbonylContact C-O 3.56Å; S103-L168 VanDerWaalsContact C-O 3.24Å; S103-L168 VanDerWaalsContact CA-O 3.26Å; S103-L168 WeakPolarHBondContact CA-O 3.27Å; S103-L168 WeakPolarHBondContact CB-O 3.27Å; S103-L168 PolarHBondContact N-O 2.61Å; S103-L168 VanDerWaalsContact O-O 3.14Å; S103-L170 PolarHBondContact O-N 3.34Å
104S97.8Very high95.3Very high14 Ų1430.6 Ų30.610%0.09816%0.163CC..EExtended strand (participates in β ladder)trans-135.3151.6-175.6-141.80000110.1S106 I107 Y143 L170S104-S106 WeakPolarHBondContact CB-OG 3.08Å; S104-S106 PolarHBondContact OG-OG 2.81Å; S104-I107 WeakPolarHBondContact O-CG1 3.16Å; S104-I107 WeakPolarHBondContact O-CG2 3.45Å; S104-Y143 PolarHBondContact OG-OH 2.73Å; S104-L170 CarbonylContact C-O 3.56Å; S104-L170 WeakPolarHBondContact CA-O 3.2Å
105D97.5Very high94.7Very high3 Ų331 Ų312%0.01617%0.169CC..G310 helixtrans-72-17.9166.471.9-20.1000112.9I107 Y108 L170 P171 I284D105-I107 PolarHBondContact O-N 3.29Å; D105-Y108 HydrophobicContact CB-CD2 4.07Å; D105-Y108 HydrophobicContact CB-CE2 4.18Å; D105-Y108 WeakPolarHBondContact O-CB 3.35Å; D105-Y108 WeakPolarHBondContact O-CD2 3.33Å; D105-Y108 PolarHBondContact O-N 3.01Å; D105-L170 PolarHBondContact N-O 2.92Å; D105-P171 WeakPolarHBondContact OD1-CA 3.4Å; D105-P171 VanDerWaalsContact OD2-CA 3.32Å; D105-P171 WeakPolarHBondContact OD2-CA 3.1Å; D105-P171 WeakPolarHBondContact OD2-CB 3.36Å; D105-I284 HydrophobicContact CB-CG2 3.76Å
106S96.6Very high93.9Very high4 Ų433.8 Ų33.83%0.02820%0.201CC..G310 helixtrans-56.4-19.817371.80000113.3S104 Y108 E109 Y143 A144S104-S106 WeakPolarHBondContact CB-OG 3.08Å; S104-S106 PolarHBondContact OG-OG 2.81Å; S106-Y108 PolarHBondContact O-N 2.96Å; S106-Y108 VanDerWaalsContact O-N 3.09Å; S106-E109 WeakPolarHBondContact O-CB 3.49Å; S106-E109 WeakPolarHBondContact O-CG 3.4Å; S106-E109 PolarHBondContact O-N 3.06Å; S106-Y143 WeakPolarHBondContact OG-CE1 3.36Å; S106-A144 VanDerWaalsContact O-CB 3.28Å; S106-A144 WeakPolarHBondContact O-CB 3.06Å
107I97.2Very high93.3Very high0 Ų036.1 Ų36.10%022%0.215CC..G310 helixtrans-54.8-27.6171.36791.6000112.3S104 D105 E109 M110 C111 K147 L148 R169S104-I107 WeakPolarHBondContact O-CG1 3.16Å; S104-I107 WeakPolarHBondContact O-CG2 3.45Å; D105-I107 PolarHBondContact O-N 3.29Å; I107-E109 PolarHBondContact O-N 3.27Å; I107-M110 WeakPolarHBondContact O-CA 3.41Å; I107-M110 VanDerWaalsContact O-CB 3.28Å; I107-M110 WeakPolarHBondContact O-CB 3.34Å; I107-M110 PolarHBondContact O-N 3.47Å; I107-C111 PolarHBondContact O-SG 2.83Å; I107-K147 HydrophobicContact CG2-CB 3.8Å; I107-L148 HydrophobicContact CB-CB 4.07Å; I107-L148 HydrophobicContact CB-CD1 4.38Å; I107-L148 HydrophobicContact CG2-CB 3.9Å; I107-R169 VanDerWaalsContact CD1-CZ 3.44Å; I107-R169 HydrophobicContact CG1-CG 4.33Å
108Y96.6Very high92.7Very high1 Ų134.8 Ų34.80%0.00422%0.218CC..G310 helixtrans-68.5-22.7178.3-64.5-62000112.4D105 S106 M110 C111 L120 V124 R169 N239 I284D105-Y108 HydrophobicContact CB-CD2 4.07Å; D105-Y108 HydrophobicContact CB-CE2 4.18Å; D105-Y108 WeakPolarHBondContact O-CB 3.35Å; D105-Y108 WeakPolarHBondContact O-CD2 3.33Å; D105-Y108 PolarHBondContact O-N 3.01Å; S106-Y108 PolarHBondContact O-N 2.96Å; S106-Y108 VanDerWaalsContact O-N 3.09Å; Y108-M110 PolarHBondContact O-N 3.29Å; Y108-C111 WeakPolarHBondContact O-CB 3.48Å; Y108-C111 PolarHBondContact O-N 2.91Å; Y108-C111 VanDerWaalsContact O-N 3.09Å; Y108-L120 HydrophobicContact CD1-CB 4.44Å; Y108-L120 HydrophobicContact CD2-CB 4.17Å; Y108-L120 HydrophobicContact CD2-CD1 3.76Å; Y108-L120 HydrophobicContact CE1-CB 4.44Å; Y108-L120 HydrophobicContact CE2-CB 4.22Å; Y108-L120 HydrophobicContact CG-CB 4.33Å; Y108-L120 HydrophobicContact CG-CD1 3.85Å; Y108-V124 HydrophobicContact CE1-CB 4.41Å; Y108-R169 WeakPolarHBondContact OH-CD 3.07Å; Y108-R169 PolarHBondContact OH-NH1 3.37Å; Y108-N239 PolarHBondContact OH-ND2 3.19Å; Y108-N239 PolarHBondContact OH-OD1 2.69Å; Y108-I284 HydrophobicContact CD2-CG2 4.05Å; Y108-I284 HydrophobicContact CE2-CG2 3.65Å
109E94.2Very high92.3Very high45 Ų4539.5 Ų39.521%0.2124%0.238CC..G310 helixtrans-64.4-20.1169.8-55.1-61.7142.600111.7S106 I107 G280 H281S106-E109 WeakPolarHBondContact O-CB 3.49Å; S106-E109 WeakPolarHBondContact O-CG 3.4Å; S106-E109 PolarHBondContact O-N 3.06Å; I107-E109 PolarHBondContact O-N 3.27Å; E109-G280 PolarHBondContact OE1-N 3.42Å; E109-H281 IonicContact OE1-CE1 3.07Å; E109-H281 IonicContact OE1-CG 3.45Å; E109-H281 PolarHBondContact OE1-N 3.44Å; E109-H281 IonicContact OE1-ND1 2.61Å; E109-H281 PolarHBondContact OE1-ND1 3.37Å; E109-H281 IonicContact OE2-CE1 2.71Å; E109-H281 PolarHBondContact OE2-CE1 3.36Å; E109-H281 IonicContact OE2-ND1 3.46Å; E109-H281 PolarHBondContact OE2-ND1 2.99Å
110M94.9Very high92.2Very high4 Ų439.6 Ų39.62%0.0224%0.239CC..G310 helixtrans-94.28.3176.4-52.7-67.498.600113I107 Y108 P128 L137 D141 A144 D145 L148I107-M110 WeakPolarHBondContact O-CA 3.41Å; I107-M110 VanDerWaalsContact O-CB 3.28Å; I107-M110 WeakPolarHBondContact O-CB 3.34Å; I107-M110 PolarHBondContact O-N 3.47Å; Y108-M110 PolarHBondContact O-N 3.29Å; M110-P128 WeakPolarHBondContact O-CD 3.25Å; M110-L137 HydrophobicContact CE-CB 3.99Å; M110-L137 WeakPolarHBondContact CE-O 3.29Å; M110-L137 HydrophobicContact SD-CB 3.87Å; M110-D141 HydrophobicContact CE-CB 3.82Å; M110-A144 HydrophobicContact CE-CB 4.14Å; M110-A144 HydrophobicContact CG-CB 3.71Å; M110-A144 HydrophobicContact SD-CB 4.2Å; M110-D145 HydrophobicContact SD-CB 4.02Å; M110-L148 HydrophobicContact CB-CD2 3.86Å
111C94.3Very high92Very high8 Ų846.2 Ų46.25%0.05426%0.263CS..SBendtrans-120.8153.8-171.9-60.80000112.1I107 Y108 V113 V124 G125 V126I107-C111 PolarHBondContact O-SG 2.83Å; Y108-C111 WeakPolarHBondContact O-CB 3.48Å; Y108-C111 PolarHBondContact O-N 2.91Å; Y108-C111 VanDerWaalsContact O-N 3.09Å; C111-V113 PolarHBondContact O-N 2.87Å; C111-V113 VanDerWaalsContact O-N 3.13Å; C111-V124 WeakPolarHBondContact CB-O 3.36Å; C111-G125 VanDerWaalsContact SG-CA 3.59Å; C111-V126 WeakPolarHBondContact CA-O 3.17Å; C111-V126 WeakPolarHBondContact CB-O 3.34Å; C111-V126 PolarHBondContact SG-N 3.21Å; C111-V126 VanDerWaalsContact SG-N 3.39Å; C111-V126 PolarHBondContact SG-O 3.37Å; C111-V126 VanDerWaalsContact SG-O 3.41Å
112E87.1Confident92Very high132 Ų13246.7 Ų46.762%0.61727%0.266SS*.  trans-77.598.7171.5-66.3-174.4177.100109.9P128E112-P128 HydrophobicContact CG-CB 3.91Å; E112-P128 HydrophobicContact CG-CG 3.81Å; E112-P128 WeakPolarHBondContact OE1-CB 3.47Å
113V86.3Confident91.8Very high31 Ų3152.1 Ų52.119%0.18829%0.291CS..PPolyproline II helixtrans-89.6121.9174.6-176.30000109.5C111 T117 L120 V124 H281C111-V113 PolarHBondContact O-N 2.87Å; C111-V113 VanDerWaalsContact O-N 3.13Å; V113-T117 HydrophobicContact CG1-CG2 4.21Å; V113-L120 HydrophobicContact CB-CD2 4.49Å; V113-L120 HydrophobicContact CG1-CD2 3.68Å; V113-L120 HydrophobicContact CG2-CD2 3.91Å; V113-V124 HydrophobicContact CG2-CG1 3.94Å; V113-H281 VanDerWaalsContact CG2-CD2 3.49Å; V113-H281 WeakPolarHBondContact CG2-CD2 3.01Å
114T85.7Confident91.6Very high101 Ų10154 Ų5462%0.6230%0.302SS*.PPolyproline II helixtrans-63.1131.5176.6-61.10000110G116 T117T114-G116 PolarHBondContact O-N 3.15Å; T114-T117 WeakPolarHBondContact O-CB 3.26Å; T114-T117 PolarHBondContact O-N 3.06Å; T114-T117 PolarHBondContact O-OG1 2.6Å
115P81.1Confident91.4Very high127 Ų12753.9 Ų53.983%0.82530%0.303SS*.THydrogen-bonded Turntrans-52.4133.2175.3-2835.1000112.2
116G79.9Confident91.2Very high75 Ų7558.4 Ų58.477%0.77333%0.33SS*.THydrogen-bonded Turntrans85.93.7-17700000115T114 T118T114-G116 PolarHBondContact O-N 3.15Å; G116-T118 PolarHBondContact O-N 3.03Å
117T84.9Confident91Very high49 Ų4959 Ų5930%0.30133%0.332SS..  trans-60.3118.3166.6-58.90000109.2V113 T114 L120V113-T117 HydrophobicContact CG1-CG2 4.21Å; T114-T117 WeakPolarHBondContact O-CB 3.26Å; T114-T117 PolarHBondContact O-N 3.06Å; T114-T117 PolarHBondContact O-OG1 2.6Å; T117-L120 HydrophobicContact CG2-CD2 4.03Å
118T83.4Confident90.9Very high117 Ų11759.2 Ų59.272%0.71833%0.333SS*.  trans-93.8-26.7-173.451.30000113.7G116G116-T118 PolarHBondContact O-N 3.03Å
119K89.1Confident90.7Very high109 Ų10967.8 Ų67.847%0.47437%0.373SS..SBendtrans-141.8128.6171.2-61.9-167.6174.9-169.20110R121 P283 D285K119-R121 PolarHBondContact O-N 3.36Å; K119-P283 CarbonylContact C-O 3.54Å; K119-P283 VanDerWaalsContact CA-O 3.28Å; K119-P283 WeakPolarHBondContact CA-O 3.39Å; K119-P283 HydrophobicContact CG-CG 4.33Å; K119-D285 HydrophobicContact CB-CB 3.87Å
120L95.2Very high90.7Very high4 Ų468 Ų682%0.02138%0.38CS..BIsolated β-bridgetrans-77.8115.8-177.5-58.4166.7000109.5Y108 V113 T117 V124 N239 H281 P283 I284 D285Y108-L120 HydrophobicContact CD1-CB 4.44Å; Y108-L120 HydrophobicContact CD2-CB 4.17Å; Y108-L120 HydrophobicContact CD2-CD1 3.76Å; Y108-L120 HydrophobicContact CE1-CB 4.44Å; Y108-L120 HydrophobicContact CE2-CB 4.22Å; Y108-L120 HydrophobicContact CG-CB 4.33Å; Y108-L120 HydrophobicContact CG-CD1 3.85Å; V113-L120 HydrophobicContact CB-CD2 4.49Å; V113-L120 HydrophobicContact CG1-CD2 3.68Å; V113-L120 HydrophobicContact CG2-CD2 3.91Å; T117-L120 HydrophobicContact CG2-CD2 4.03Å; L120-V124 HydrophobicContact CD2-CG1 4.45Å; L120-N239 PolarHBondContact O-ND2 3.35Å; L120-H281 HydrophobicContact CD1-CB 3.66Å; L120-H281 HydrophobicContact CD2-CB 4.31Å; L120-P283 PolarHBondContact N-O 2.9Å; L120-I284 HydrophobicContact CB-CG2 4.28Å; L120-I284 HydrophobicContact CD1-CG2 4.45Å; L120-D285 PolarHBondContact O-N 2.87Å
121R96.2Very high90.7Very high138 Ų13873.6 Ų73.652%0.52141%0.41SS..  trans-91.2160.2173.5-62.6-178.3168.8164.5-1110.7K119 E123 V124 D285K119-R121 PolarHBondContact O-N 3.36Å; R121-E123 WeakPolarHBondContact CB-OE2 3.45Å; R121-E123 PolarHBondContact O-N 3.49Å; R121-E123 VanDerWaalsContact O-N 3.13Å; R121-V124 WeakPolarHBondContact O-CB 3.43Å; R121-V124 PolarHBondContact O-N 2.87Å; R121-D285 HydrophobicContact CG-CB 3.71Å; R121-D285 IonicContact CZ-OD2 3.76Å; R121-D285 IonicContact NE-OD2 3.19Å; R121-D285 PolarHBondContact NE-OD2 3.47Å; R121-D285 VanDerWaalsContact NE-OD2 3.13Å; R121-D285 IonicContact NH2-OD2 3.62Å
122E97Very high90.7Very high11 Ų1179.6 Ų79.65%0.05144%0.437CS..G310 helixtrans-60.6-28.5-175.9-60.789.8163.100113.1V124 G125 R169 V237 F238 N239 R288E122-V124 PolarHBondContact O-N 3.21Å; E122-G125 PolarHBondContact O-N 3.38Å; E122-G125 VanDerWaalsContact O-N 3.1Å; E122-R169 PolarHBondContact O-NH1 2.96Å; E122-V237 HydrophobicContact CB-CB 4.47Å; E122-V237 HydrophobicContact CB-CG1 4.41Å; E122-V237 HydrophobicContact CG-CB 4.46Å; E122-V237 HydrophobicContact CG-CG1 4.22Å; E122-F238 WeakPolarHBondContact OE1-CA 3.28Å; E122-N239 HydrophobicContact CG-CB 4.29Å; E122-N239 PolarHBondContact OE1-N 3.19Å; E122-R288 WeakPolarHBondContact OE1-CB 3.27Å; E122-R288 WeakPolarHBondContact OE1-CD 3.26Å; E122-R288 IonicContact OE1-NE 3.7Å; E122-R288 IonicContact OE2-CZ 2.9Å; E122-R288 IonicContact OE2-NE 2.86Å; E122-R288 PolarHBondContact OE2-NE 3.36Å; E122-R288 IonicContact OE2-NH2 2.66Å
123E94.7Very high91Very high120 Ų12075.8 Ų75.856%0.56142%0.422SS*.G310 helixtrans-66-19.7177.7-58.280.5-170.300113.8R121 G125 R288R121-E123 WeakPolarHBondContact CB-OE2 3.45Å; R121-E123 PolarHBondContact O-N 3.49Å; R121-E123 VanDerWaalsContact O-N 3.13Å; E123-G125 PolarHBondContact O-N 3.13Å; E123-R288 VanDerWaalsContact CD-NH2 3.34Å; E123-R288 IonicContact OE1-CZ 3.84Å; E123-R288 IonicContact OE1-NH2 3.87Å; E123-R288 PolarHBondContact OE1-NH2 3.4Å; E123-R288 IonicContact OE2-NH2 2.94Å
124V93.2Very high91.4Very high41 Ų4178.7 Ų78.725%0.24843%0.43CS..G310 helixtrans-76-16.1175.6-179.50000111.4Y108 C111 V113 L120 R121 E122 V126Y108-V124 HydrophobicContact CE1-CB 4.41Å; C111-V124 WeakPolarHBondContact CB-O 3.36Å; V113-V124 HydrophobicContact CG2-CG1 3.94Å; L120-V124 HydrophobicContact CD2-CG1 4.45Å; R121-V124 WeakPolarHBondContact O-CB 3.43Å; R121-V124 PolarHBondContact O-N 2.87Å; E122-V124 PolarHBondContact O-N 3.21Å; V124-V126 PolarHBondContact O-N 3.19Å
125G94.2Very high91.8Very high11 Ų1178.5 Ų78.511%0.11343%0.425CS..  trans-75.359.2-178.200000113.3C111 E122 E123C111-G125 VanDerWaalsContact SG-CA 3.59Å; E122-G125 PolarHBondContact O-N 3.38Å; E122-G125 VanDerWaalsContact O-N 3.1Å; E123-G125 PolarHBondContact O-N 3.13Å
126V92.9Very high92.5Very high98 Ų9877.7 Ų77.759%0.59441%0.41SS*.  trans-127.5133.3178.8-177.40000108.8C111 V124C111-V126 WeakPolarHBondContact CA-O 3.17Å; C111-V126 WeakPolarHBondContact CB-O 3.34Å; C111-V126 PolarHBondContact SG-N 3.21Å; C111-V126 VanDerWaalsContact SG-N 3.39Å; C111-V126 PolarHBondContact SG-O 3.37Å; C111-V126 VanDerWaalsContact SG-O 3.41Å; V124-V126 PolarHBondContact O-N 3.19Å
127R93.1Very high93.1Very high18 Ų1876.2 Ų76.27%0.06838%0.384CS..  trans-65.7149.1179.5-66.3-177.7178.9-84.95.5112R134 D145 L148 E152R127-R134 HydrophobicContact CB-CG 4.46Å; R127-D145 IonicContact CZ-OD1 2.8Å; R127-D145 IonicContact NH1-OD1 3.96Å; R127-D145 PolarHBondContact NH1-OD1 3.06Å; R127-D145 PolarHBondContact NH2-O 2.69Å; R127-D145 IonicContact NH2-OD1 2.68Å; R127-D145 PolarHBondContact NH2-OD1 2.61Å; R127-L148 HydrophobicContact CG-CD2 3.52Å; R127-L148 HydrophobicContact CG-CG 4.28Å; R127-E152 WeakPolarHBondContact CD-OE1 3.34Å; R127-E152 IonicContact CZ-OE2 2.75Å; R127-E152 IonicContact NE-OE1 3.9Å; R127-E152 PolarHBondContact NE-OE1 2.86Å; R127-E152 VanDerWaalsContact NE-OE1 3.15Å; R127-E152 IonicContact NE-OE2 3.19Å; R127-E152 PolarHBondContact NE-OE2 2.71Å; R127-E152 IonicContact NH2-OE2 2.73Å
128P94.1Very high93.5Very high3 Ų374.9 Ų74.92%0.01938%0.378CS..  trans-48.1147.7165.3-23.528.4000111.4M110 E112 S130 V133 R134 L137M110-P128 WeakPolarHBondContact O-CD 3.25Å; E112-P128 HydrophobicContact CG-CB 3.91Å; E112-P128 HydrophobicContact CG-CG 3.81Å; E112-P128 WeakPolarHBondContact OE1-CB 3.47Å; P128-S130 VanDerWaalsContact C-N 3.35Å; P128-V133 HydrophobicContact CB-CB 4.17Å; P128-V133 HydrophobicContact CB-CG1 3.85Å; P128-V133 HydrophobicContact CG-CG1 3.73Å; P128-R134 PolarHBondContact O-NE 3.28Å; P128-R134 PolarHBondContact O-NH2 3.12Å; P128-L137 HydrophobicContact CG-CD1 3.79Å
129E92.8Very high94Very high181 Ų18177.5 Ų77.585%0.84638%0.379SS*.SBendtrans-70.8-32.6176.3-69.8-171.1166.400112.6L131E129-L131 PolarHBondContact O-N 3.37Å
130S94.6Very high94.2Very high51 Ų5180 Ų8036%0.35739%0.394SS..  trans-67.9123-177.2176.90000112.1P128 E132 V133 R134P128-S130 VanDerWaalsContact C-N 3.35Å; S130-E132 VanDerWaalsContact C-N 3.27Å; S130-E132 PolarHBondContact O-N 3.21Å; S130-E132 PolarHBondContact OG-N 2.91Å; S130-V133 PolarHBondContact O-N 3.29Å; S130-V133 PolarHBondContact OG-N 3.18Å; S130-R134 WeakPolarHBondContact O-CG 3.49Å; S130-R134 PolarHBondContact O-N 3.4Å
131L93.9Very high94.1Very high121 Ų12181.9 Ų81.963%0.63441%0.405SS*.Hα-helixtrans-60.7-37.9173.617861.8000112E129 R134 L135E129-L131 PolarHBondContact O-N 3.37Å; L131-R134 PolarHBondContact O-N 2.85Å; L131-L135 HydrophobicContact CD1-CD1 4.24Å; L131-L135 HydrophobicContact CD1-CG 4.15Å; L131-L135 HydrophobicContact CG-CD1 4.05Å; L131-L135 HydrophobicContact CG-CG 4.39Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 2.56Å
132E95.6Very high94Very high134 Ų13479.9 Ų79.963%0.62641%0.412SS*.Hα-helixtrans-61.1-49.7178.6-176.9172.9-162.500110.7S130 R134 L135 E136S130-E132 VanDerWaalsContact C-N 3.27Å; S130-E132 PolarHBondContact O-N 3.21Å; S130-E132 PolarHBondContact OG-N 2.91Å; E132-R134 VanDerWaalsContact C-N 3.34Å; E132-R134 PolarHBondContact O-N 3.47Å; E132-L135 PolarHBondContact O-N 3.05Å; E132-L135 VanDerWaalsContact O-N 3.15Å; E132-E136 WeakPolarHBondContact O-CG 3.47Å; E132-E136 PolarHBondContact O-N 3.41Å
133V94Very high93.9Very high51 Ų5183.7 Ų83.731%0.30943%0.426SS..Hα-helixtrans-61.2-42.5177.4179.90000110.9P128 S130 L135 E136 L137P128-V133 HydrophobicContact CB-CB 4.17Å; P128-V133 HydrophobicContact CB-CG1 3.85Å; P128-V133 HydrophobicContact CG-CG1 3.73Å; S130-V133 PolarHBondContact O-N 3.29Å; S130-V133 PolarHBondContact OG-N 3.18Å; V133-L135 VanDerWaalsContact C-N 3.33Å; V133-L135 PolarHBondContact O-N 3.06Å; V133-E136 PolarHBondContact O-N 3.27Å; V133-L137 HydrophobicContact CG1-CD1 3.96Å; V133-L137 HydrophobicContact CG1-CG 4.3Å; V133-L137 WeakPolarHBondContact O-CG 3.28Å; V133-L137 PolarHBondContact O-N 3.32Å
134R94.5Very high93.9Very high93 Ų9378 Ų7835%0.35140%0.4SS..Hα-helixtrans-58.5-44.3175.4-70.6177.1-167.9-175.12.2112.2R127 P128 S130 L131 E132 E136 L137 A138R127-R134 HydrophobicContact CB-CG 4.46Å; P128-R134 PolarHBondContact O-NE 3.28Å; P128-R134 PolarHBondContact O-NH2 3.12Å; S130-R134 WeakPolarHBondContact O-CG 3.49Å; S130-R134 PolarHBondContact O-N 3.4Å; L131-R134 PolarHBondContact O-N 2.85Å; E132-R134 VanDerWaalsContact C-N 3.34Å; E132-R134 PolarHBondContact O-N 3.47Å; R134-E136 VanDerWaalsContact C-N 3.32Å; R134-L137 PolarHBondContact O-N 2.96Å; R134-A138 VanDerWaalsContact O-CB 3.27Å; R134-A138 WeakPolarHBondContact O-CB 3.35Å; R134-A138 PolarHBondContact O-N 3.4Å
135L93.8Very high94.1Very high97 Ų9777.4 Ų77.451%0.50840%0.395SS..Hα-helixtrans-69-31.5-179.5-71.1173.4000112.3L131 E132 V133 K139L131-L135 HydrophobicContact CD1-CD1 4.24Å; L131-L135 HydrophobicContact CD1-CG 4.15Å; L131-L135 HydrophobicContact CG-CD1 4.05Å; L131-L135 HydrophobicContact CG-CG 4.39Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 2.56Å; E132-L135 PolarHBondContact O-N 3.05Å; E132-L135 VanDerWaalsContact O-N 3.15Å; V133-L135 VanDerWaalsContact C-N 3.33Å; V133-L135 PolarHBondContact O-N 3.06Å; L135-K139 WeakPolarHBondContact O-CD 3.44Å; L135-K139 VanDerWaalsContact O-CG 3.3Å; L135-K139 WeakPolarHBondContact O-CG 3.46Å; L135-K139 PolarHBondContact O-N 2.94Å
136E94.7Very high94.2Very high109 Ų10977.1 Ų77.151%0.50939%0.392SS..Hα-helixtrans-69.2-50.7173.1-71.4-178.2161.300111.2E132 V133 R134 A138 K139 M140E132-E136 WeakPolarHBondContact O-CG 3.47Å; E132-E136 PolarHBondContact O-N 3.41Å; V133-E136 PolarHBondContact O-N 3.27Å; R134-E136 VanDerWaalsContact C-N 3.32Å; E136-A138 VanDerWaalsContact C-N 3.35Å; E136-A138 PolarHBondContact O-N 3.41Å; E136-K139 WeakPolarHBondContact O-CB 3.37Å; E136-K139 PolarHBondContact O-N 3.32Å; E136-K139 VanDerWaalsContact O-N 3.16Å; E136-M140 WeakPolarHBondContact O-CG 3.38Å; E136-M140 PolarHBondContact O-N 2.81Å
137L93.8Very high94.4Very high45 Ų4572.7 Ų72.724%0.23637%0.365CS..Hα-helixtrans-60.1-42.7178.1-67.5175.2000112.1M110 P128 V133 R134 K139 M140 D141M110-L137 HydrophobicContact CE-CB 3.99Å; M110-L137 WeakPolarHBondContact CE-O 3.29Å; M110-L137 HydrophobicContact SD-CB 3.87Å; P128-L137 HydrophobicContact CG-CD1 3.79Å; V133-L137 HydrophobicContact CG1-CD1 3.96Å; V133-L137 HydrophobicContact CG1-CG 4.3Å; V133-L137 WeakPolarHBondContact O-CG 3.28Å; V133-L137 PolarHBondContact O-N 3.32Å; R134-L137 PolarHBondContact O-N 2.96Å; L137-K139 PolarHBondContact O-N 3.05Å; L137-M140 WeakPolarHBondContact O-CB 3.45Å; L137-M140 PolarHBondContact O-N 3.35Å; L137-D141 PolarHBondContact O-N 2.83Å
138A92.7Very high94.6Very high21 Ų2172 Ų7217%0.17436%0.363CS..Hα-helixtrans-63.1-29.2178.400000113.6R134 E136 S142 D145R134-A138 VanDerWaalsContact O-CB 3.27Å; R134-A138 WeakPolarHBondContact O-CB 3.35Å; R134-A138 PolarHBondContact O-N 3.4Å; E136-A138 VanDerWaalsContact C-N 3.35Å; E136-A138 PolarHBondContact O-N 3.41Å; A138-S142 WeakPolarHBondContact O-CA 3.34Å; A138-S142 PolarHBondContact O-N 3.27Å; A138-D145 HydrophobicContact CB-CB 3.96Å
139K94.1Very high94.7Very high171 Ų17174.7 Ų74.774%0.74338%0.377SS*.Hα-helixtrans-73.5-31.2172.8-73169.6-174171.90112.2L135 E136 L137L135-K139 WeakPolarHBondContact O-CD 3.44Å; L135-K139 VanDerWaalsContact O-CG 3.3Å; L135-K139 WeakPolarHBondContact O-CG 3.46Å; L135-K139 PolarHBondContact O-N 2.94Å; E136-K139 WeakPolarHBondContact O-CB 3.37Å; E136-K139 PolarHBondContact O-N 3.32Å; E136-K139 VanDerWaalsContact O-N 3.16Å; L137-K139 PolarHBondContact O-N 3.05Å
140M92Very high94.9Very high161 Ų16166.1 Ų66.179%0.79334%0.336SS*.Hα-helixtrans-73.5-42.4179.5-65.7-58.9-61.200111.5E136 L137E136-M140 WeakPolarHBondContact O-CG 3.38Å; E136-M140 PolarHBondContact O-N 2.81Å; L137-M140 WeakPolarHBondContact O-CB 3.45Å; L137-M140 PolarHBondContact O-N 3.35Å
141D93.5Very high95Very high45 Ų4563.7 Ų63.724%0.24132%0.319CS..  trans-142.389177.6-171.4-13.5000111.8M110 L137 Y143 A144 D145M110-D141 HydrophobicContact CE-CB 3.82Å; L137-D141 PolarHBondContact O-N 2.83Å; D141-Y143 PolarHBondContact O-N 3.46Å; D141-Y143 WeakPolarHBondContact OD1-CA 3.36Å; D141-Y143 WeakPolarHBondContact OD1-CB 3.49Å; D141-Y143 PolarHBondContact OD1-N 3.48Å; D141-A144 HydrophobicContact CB-CB 3.99Å; D141-A144 VanDerWaalsContact CG-CB 3.4Å; D141-A144 PolarHBondContact O-N 3.39Å; D141-A144 PolarHBondContact OD1-N 3.36Å; D141-A144 VanDerWaalsContact OD2-CB 3.29Å; D141-A144 WeakPolarHBondContact OD2-CB 3.49Å; D141-D145 WeakPolarHBondContact O-CB 3.4Å; D141-D145 PolarHBondContact O-N 2.8Å
142S94.1Very high95.2Very high95 Ų9561.2 Ų61.266%0.66431%0.305SS*.Hα-helixtrans-63.9-24.2176.765.60000113.8A138 G146A138-S142 WeakPolarHBondContact O-CA 3.34Å; A138-S142 PolarHBondContact O-N 3.27Å; S142-G146 PolarHBondContact O-N 3.28Å
143Y94.9Very high95.2Very high91 Ų9155.8 Ų55.836%0.35728%0.279SS..Hα-helixtrans-74.5-49.5178.2163.4-93.1000110.3Y80 S104 S106 D141 D145 G146 K147Y80-Y143 AromaticContact CD1-CD2 3.9Å; Y80-Y143 HydrophobicContact CD1-CD2 3.9Å; Y80-Y143 AromaticContact CD1-CE2 3.72Å; Y80-Y143 HydrophobicContact CD1-CE2 3.72Å; Y80-Y143 HydrophobicContact CE1-CE2 4.09Å; S104-Y143 PolarHBondContact OG-OH 2.73Å; S106-Y143 WeakPolarHBondContact OG-CE1 3.36Å; D141-Y143 PolarHBondContact O-N 3.46Å; D141-Y143 WeakPolarHBondContact OD1-CA 3.36Å; D141-Y143 WeakPolarHBondContact OD1-CB 3.49Å; D141-Y143 PolarHBondContact OD1-N 3.48Å; Y143-D145 VanDerWaalsContact C-N 3.3Å; Y143-D145 PolarHBondContact O-N 3.15Å; Y143-G146 PolarHBondContact O-N 3.35Å; Y143-K147 HydrophobicContact CD2-CG 4.48Å; Y143-K147 HydrophobicContact CE1-CG 4.24Å; Y143-K147 HydrophobicContact CE2-CD 4.45Å; Y143-K147 HydrophobicContact CE2-CG 4.04Å; Y143-K147 WeakPolarHBondContact O-CG 3.44Å; Y143-K147 PolarHBondContact O-N 3.44Å; Y143-K147 WeakPolarHBondContact OH-CE 3.29Å
144A95.9Very high95.4Very high0 Ų053.3 Ų53.30%026%0.264CS..Hα-helixtrans-59.4-43.7174.800000111.4S106 M110 D141 K147 L148S106-A144 VanDerWaalsContact O-CB 3.28Å; S106-A144 WeakPolarHBondContact O-CB 3.06Å; M110-A144 HydrophobicContact CE-CB 4.14Å; M110-A144 HydrophobicContact CG-CB 3.71Å; M110-A144 HydrophobicContact SD-CB 4.2Å; D141-A144 HydrophobicContact CB-CB 3.99Å; D141-A144 VanDerWaalsContact CG-CB 3.4Å; D141-A144 PolarHBondContact O-N 3.39Å; D141-A144 PolarHBondContact OD1-N 3.36Å; D141-A144 VanDerWaalsContact OD2-CB 3.29Å; D141-A144 WeakPolarHBondContact OD2-CB 3.49Å; A144-K147 PolarHBondContact O-N 3.4Å; A144-L148 PolarHBondContact O-N 2.97Å
145D96.4Very high95.6Very high30 Ų3051.2 Ų51.216%0.1626%0.259CS..Hα-helixtrans-59.3-49.2176.1-177.358.1000112.1M110 R127 A138 D141 Y143 K147 L148 L149M110-D145 HydrophobicContact SD-CB 4.02Å; R127-D145 IonicContact CZ-OD1 2.8Å; R127-D145 IonicContact NH1-OD1 3.96Å; R127-D145 PolarHBondContact NH1-OD1 3.06Å; R127-D145 PolarHBondContact NH2-O 2.69Å; R127-D145 IonicContact NH2-OD1 2.68Å; R127-D145 PolarHBondContact NH2-OD1 2.61Å; A138-D145 HydrophobicContact CB-CB 3.96Å; D141-D145 WeakPolarHBondContact O-CB 3.4Å; D141-D145 PolarHBondContact O-N 2.8Å; Y143-D145 VanDerWaalsContact C-N 3.3Å; Y143-D145 PolarHBondContact O-N 3.15Å; D145-K147 PolarHBondContact O-N 3.49Å; D145-L148 PolarHBondContact O-N 3Å; D145-L149 WeakPolarHBondContact O-CG 3.36Å; D145-L149 PolarHBondContact O-N 3.13Å
146G96.2Very high95.7Very high5 Ų550.9 Ų50.95%0.05226%0.255CS..Hα-helixtrans-61-42178.600000113Y80 S81 S142 Y143 L149 A150Y80-G146 CarbonylContact O-C 3.58Å; Y80-G146 VanDerWaalsContact O-CA 3.24Å; Y80-G146 WeakPolarHBondContact O-CA 3.27Å; S81-G146 WeakPolarHBondContact CA-O 3.33Å; S142-G146 PolarHBondContact O-N 3.28Å; Y143-G146 PolarHBondContact O-N 3.35Å; G146-L149 PolarHBondContact O-N 2.8Å; G146-A150 PolarHBondContact O-N 3.29Å
147K97.6Very high95.8Very high5 Ų547.8 Ų47.82%0.02224%0.24CC..Hα-helixtrans-60.9-46.2175-74.8-63-163.8177.50111.7A79 Y80 F101 I102 I107 Y143 A144 D145 A150 E151A79-K147 PolarHBondContact O-NZ 3.15Å; Y80-K147 PolarHBondContact O-N 2.95Å; F101-K147 HydrophobicContact CE1-CD 4.5Å; F101-K147 HydrophobicContact CZ-CD 3.78Å; I102-K147 PolarHBondContact O-NZ 3.18Å; I107-K147 HydrophobicContact CG2-CB 3.8Å; Y143-K147 HydrophobicContact CD2-CG 4.48Å; Y143-K147 HydrophobicContact CE1-CG 4.24Å; Y143-K147 HydrophobicContact CE2-CD 4.45Å; Y143-K147 HydrophobicContact CE2-CG 4.04Å; Y143-K147 WeakPolarHBondContact O-CG 3.44Å; Y143-K147 PolarHBondContact O-N 3.44Å; Y143-K147 WeakPolarHBondContact OH-CE 3.29Å; A144-K147 PolarHBondContact O-N 3.4Å; D145-K147 PolarHBondContact O-N 3.49Å; K147-A150 WeakPolarHBondContact O-CB 3.45Å; K147-A150 PolarHBondContact O-N 3.41Å; K147-E151 PolarHBondContact O-N 2.87Å; K147-E151 VanDerWaalsContact O-N 3.07Å
148L96.9Very high96Very high3 Ų349.4 Ų49.42%0.01624%0.243CC..Hα-helixtrans-67.2-39.1179.1-175.853.8000112I107 M110 R127 A144 D145 A150 E151 E152I107-L148 HydrophobicContact CB-CB 4.07Å; I107-L148 HydrophobicContact CB-CD1 4.38Å; I107-L148 HydrophobicContact CG2-CB 3.9Å; M110-L148 HydrophobicContact CB-CD2 3.86Å; R127-L148 HydrophobicContact CG-CD2 3.52Å; R127-L148 HydrophobicContact CG-CG 4.28Å; A144-L148 PolarHBondContact O-N 2.97Å; D145-L148 PolarHBondContact O-N 3Å; L148-A150 VanDerWaalsContact C-N 3.26Å; L148-A150 PolarHBondContact O-N 3.29Å; L148-E151 HydrophobicContact CD1-CB 4.5Å; L148-E151 WeakPolarHBondContact O-CB 3.14Å; L148-E151 PolarHBondContact O-N 3.33Å; L148-E152 WeakPolarHBondContact O-CG 3.18Å; L148-E152 PolarHBondContact O-N 3.04Å
149L96.2Very high96.3Very high60 Ų6055.7 Ų55.731%0.31427%0.267SS..Hα-helixtrans-57.2-41171.9-75.6173.7000111.9T82 D145 G146 E152 F153T82-L149 PolarHBondContact OG1-O 3.13Å; D145-L149 WeakPolarHBondContact O-CG 3.36Å; D145-L149 PolarHBondContact O-N 3.13Å; G146-L149 PolarHBondContact O-N 2.8Å; L149-E152 PolarHBondContact O-N 2.84Å; L149-F153 WeakPolarHBondContact O-CB 3.31Å; L149-F153 PolarHBondContact O-N 3.07Å
150A97.1Very high96.4Very high0 Ų053 Ų530%026%0.26CS..Hα-helixtrans-66.6-39.4178.700000112T82 I85 F101 G146 K147 L148 F153 L154T82-A150 WeakPolarHBondContact OG1-CA 3.43Å; T82-A150 PolarHBondContact OG1-N 3.1Å; I85-A150 HydrophobicContact CD1-CB 3.88Å; F101-A150 HydrophobicContact CE1-CB 3.72Å; F101-A150 HydrophobicContact CE2-CB 4.34Å; F101-A150 HydrophobicContact CZ-CB 3.53Å; G146-A150 PolarHBondContact O-N 3.29Å; K147-A150 WeakPolarHBondContact O-CB 3.45Å; K147-A150 PolarHBondContact O-N 3.41Å; L148-A150 VanDerWaalsContact C-N 3.26Å; L148-A150 PolarHBondContact O-N 3.29Å; A150-F153 PolarHBondContact O-N 2.91Å; A150-L154 WeakPolarHBondContact O-CG 3.38Å; A150-L154 PolarHBondContact O-N 3.3Å; A150-L154 VanDerWaalsContact O-N 3.11Å
151E97.8Very high96.5Very high0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-58.5-52.4171.3-65.6-169.1-169.300111.2F101 S103 K147 L148 F153 L154 M155 I167 R169F101-E151 HydrophobicContact CD1-CG 4.18Å; F101-E151 HydrophobicContact CE1-CG 3.99Å; S103-E151 WeakPolarHBondContact CB-OE1 3.42Å; S103-E151 PolarHBondContact OG-OE1 3.38Å; K147-E151 PolarHBondContact O-N 2.87Å; K147-E151 VanDerWaalsContact O-N 3.07Å; L148-E151 HydrophobicContact CD1-CB 4.5Å; L148-E151 WeakPolarHBondContact O-CB 3.14Å; L148-E151 PolarHBondContact O-N 3.33Å; E151-F153 VanDerWaalsContact C-N 3.3Å; E151-F153 PolarHBondContact O-N 2.91Å; E151-L154 PolarHBondContact O-N 2.76Å; E151-M155 HydrophobicContact CB-CE 4.25Å; E151-M155 VanDerWaalsContact O-CG 3.31Å; E151-M155 WeakPolarHBondContact O-CG 3.4Å; E151-M155 PolarHBondContact O-N 2.99Å; E151-I167 HydrophobicContact CB-CD1 3.94Å; E151-I167 HydrophobicContact CG-CD1 4.05Å; E151-I167 HydrophobicContact CG-CG2 3.69Å; E151-I167 WeakPolarHBondContact OE1-CG2 3.4Å; E151-R169 WeakPolarHBondContact OE1-CG 3.47Å; E151-R169 IonicContact OE1-NE 2.73Å; E151-R169 PolarHBondContact OE1-NE 3.45Å; E151-R169 VanDerWaalsContact OE1-NE 3.14Å; E151-R169 IonicContact OE2-CZ 4Å; E151-R169 VanDerWaalsContact OE2-CZ 3.31Å; E151-R169 IonicContact OE2-NE 3.16Å; E151-R169 PolarHBondContact OE2-NE 2.8Å; E151-R169 IonicContact OE2-NH2 3.83Å; E151-R169 PolarHBondContact OE2-NH2 2.58Å
152E96.8Very high96.7Very high69 Ų6949 Ų4932%0.32224%0.243SC..Hα-helixtrans-58.4-41.6-179.4-69.4169.9143.900111.7R127 L148 L149 M155 E156R127-E152 WeakPolarHBondContact CD-OE1 3.34Å; R127-E152 IonicContact CZ-OE2 2.75Å; R127-E152 IonicContact NE-OE1 3.9Å; R127-E152 PolarHBondContact NE-OE1 2.86Å; R127-E152 VanDerWaalsContact NE-OE1 3.15Å; R127-E152 IonicContact NE-OE2 3.19Å; R127-E152 PolarHBondContact NE-OE2 2.71Å; R127-E152 IonicContact NH2-OE2 2.73Å; L148-E152 WeakPolarHBondContact O-CG 3.18Å; L148-E152 PolarHBondContact O-N 3.04Å; L149-E152 PolarHBondContact O-N 2.84Å; E152-M155 PolarHBondContact O-N 3.45Å; E152-E156 WeakPolarHBondContact O-CB 3.46Å; E152-E156 PolarHBondContact O-N 3.12Å
153F97.4Very high96.8Very high20 Ų2044.7 Ų44.79%0.08821%0.212CC..Hα-helixtrans-60.2-48.5175.3169.4-102.2000112.4T82 I85 R86 Y89 L149 A150 E151 M155 E156 E157T82-F153 HydrophobicContact CG2-CB 3.65Å; T82-F153 HydrophobicContact CG2-CD1 4.14Å; T82-F153 HydrophobicContact CG2-CD2 3.69Å; T82-F153 HydrophobicContact CG2-CE2 4.4Å; T82-F153 HydrophobicContact CG2-CG 3.53Å; I85-F153 HydrophobicContact CB-CE1 4.33Å; I85-F153 HydrophobicContact CG2-CD1 4.26Å; I85-F153 HydrophobicContact CG2-CE1 3.85Å; R86-F153 HydrophobicContact CB-CE2 4.24Å; R86-F153 HydrophobicContact CB-CZ 4Å; R86-F153 HydrophobicContact CG-CE2 4.04Å; R86-F153 HydrophobicContact CG-CZ 4.09Å; Y89-F153 HydrophobicContact CD1-CE1 4.5Å; Y89-F153 HydrophobicContact CD1-CZ 4.25Å; Y89-F153 AromaticContact CD2-CE1 4Å; Y89-F153 HydrophobicContact CD2-CE1 4Å; Y89-F153 AromaticContact CG-CE1 3.95Å; Y89-F153 HydrophobicContact CG-CE1 3.95Å; Y89-F153 HydrophobicContact CG-CZ 4.04Å; L149-F153 WeakPolarHBondContact O-CB 3.31Å; L149-F153 PolarHBondContact O-N 3.07Å; A150-F153 PolarHBondContact O-N 2.91Å; E151-F153 VanDerWaalsContact C-N 3.3Å; E151-F153 PolarHBondContact O-N 2.91Å; F153-M155 VanDerWaalsContact C-N 3.32Å; F153-M155 PolarHBondContact O-N 3.17Å; F153-E156 PolarHBondContact O-N 3.26Å; F153-E157 HydrophobicContact CD2-CG 4.01Å; F153-E157 HydrophobicContact CE1-CG 4.08Å; F153-E157 HydrophobicContact CE2-CG 3.49Å; F153-E157 VanDerWaalsContact CE2-CG 3.49Å; F153-E157 HydrophobicContact CZ-CG 3.53Å; F153-E157 WeakPolarHBondContact O-CB 3.15Å; F153-E157 WeakPolarHBondContact O-CG 3.34Å; F153-E157 PolarHBondContact O-N 2.81Å
154L97.7Very high97Very high0 Ų040.9 Ų40.90%020%0.199CC..Hα-helixtrans-62.9-40.5179.2-69.5171.3000111.5I85 Y89 F99 F101 A150 E151 R158I85-L154 HydrophobicContact CD1-CD1 4.46Å; I85-L154 HydrophobicContact CG2-CD2 4.27Å; Y89-L154 HydrophobicContact CD2-CD2 3.97Å; Y89-L154 HydrophobicContact CE2-CD2 3.55Å; F99-L154 HydrophobicContact CD1-CD1 3.94Å; F99-L154 HydrophobicContact CD1-CD2 3.91Å; F99-L154 HydrophobicContact CE1-CD1 4.05Å; F99-L154 HydrophobicContact CE1-CD2 4.14Å; F99-L154 HydrophobicContact CG-CD2 4.23Å; F101-L154 HydrophobicContact CB-CD1 3.56Å; F101-L154 HydrophobicContact CD1-CD1 3.96Å; F101-L154 HydrophobicContact CG-CD1 3.81Å; A150-L154 WeakPolarHBondContact O-CG 3.38Å; A150-L154 PolarHBondContact O-N 3.3Å; A150-L154 VanDerWaalsContact O-N 3.11Å; E151-L154 PolarHBondContact O-N 2.76Å; L154-R158 WeakPolarHBondContact O-CB 3.41Å; L154-R158 PolarHBondContact O-N 3.4Å
155M97.4Very high97.1Very high49 Ų4942.3 Ų42.324%0.24121%0.205CC..Hα-helixtrans-65.1-40.5176.7-66.2-176.2-163.900112.2E151 E152 F153 R158 K159 Y165 I167 V237E151-M155 HydrophobicContact CB-CE 4.25Å; E151-M155 VanDerWaalsContact O-CG 3.31Å; E151-M155 WeakPolarHBondContact O-CG 3.4Å; E151-M155 PolarHBondContact O-N 2.99Å; E152-M155 PolarHBondContact O-N 3.45Å; F153-M155 VanDerWaalsContact C-N 3.32Å; F153-M155 PolarHBondContact O-N 3.17Å; M155-R158 PolarHBondContact O-N 3.34Å; M155-K159 WeakPolarHBondContact O-CG 3.26Å; M155-K159 PolarHBondContact O-N 2.9Å; M155-Y165 HydrophobicContact CB-CE1 4.35Å; M155-Y165 HydrophobicContact CG-CE1 3.99Å; M155-Y165 HydrophobicContact CG-CE2 4.22Å; M155-I167 HydrophobicContact CE-CD1 3.64Å; M155-I167 HydrophobicContact CG-CD1 4.35Å; M155-V237 HydrophobicContact CE-CG2 3.43Å; M155-V237 VanDerWaalsContact CE-CG2 3.43Å
156E97.3Very high97.2Very high90 Ų9040.9 Ų40.942%0.42120%0.197SC..Hα-helixtrans-71.1-45.9179.3-169.957.2-149.600111.7E152 F153 R158 K159 L160E152-E156 WeakPolarHBondContact O-CB 3.46Å; E152-E156 PolarHBondContact O-N 3.12Å; F153-E156 PolarHBondContact O-N 3.26Å; E156-R158 PolarHBondContact O-N 3.11Å; E156-K159 WeakPolarHBondContact O-CB 3.06Å; E156-K159 PolarHBondContact O-N 2.92Å; E156-K159 WeakPolarHBondContact OE2-CD 3.37Å; E156-K159 IonicContact OE2-NZ 3.51Å; E156-K159 PolarHBondContact OE2-NZ 3.34Å; E156-L160 PolarHBondContact O-N 3.48Å
157E97.3Very high97.3Very high43 Ų4340.6 Ų40.620%0.20119%0.194CC..Hα-helixtrans-57.8-39174.1-73.3-69.6133.400110.8Y89 F153 K159 L160 G162Y89-E157 HydrophobicContact CD1-CB 4.39Å; Y89-E157 HydrophobicContact CD1-CG 4.08Å; Y89-E157 HydrophobicContact CE1-CB 3.54Å; Y89-E157 HydrophobicContact CE1-CG 3.73Å; Y89-E157 WeakPolarHBondContact CE1-OE2 3.22Å; F153-E157 HydrophobicContact CD2-CG 4.01Å; F153-E157 HydrophobicContact CE1-CG 4.08Å; F153-E157 HydrophobicContact CE2-CG 3.49Å; F153-E157 VanDerWaalsContact CE2-CG 3.49Å; F153-E157 HydrophobicContact CZ-CG 3.53Å; F153-E157 WeakPolarHBondContact O-CB 3.15Å; F153-E157 WeakPolarHBondContact O-CG 3.34Å; F153-E157 PolarHBondContact O-N 2.81Å; E157-K159 VanDerWaalsContact C-N 3.32Å; E157-K159 PolarHBondContact O-N 2.84Å; E157-L160 CarbonylContact O-C 3.56Å; E157-L160 WeakPolarHBondContact O-CA 3.43Å; E157-L160 WeakPolarHBondContact O-CB 3.5Å; E157-L160 PolarHBondContact O-N 2.78Å; E157-G162 WeakPolarHBondContact O-CA 3.43Å; E157-G162 PolarHBondContact O-N 2.87Å
158R97.3Very high97.4Very high79 Ų7940.4 Ų40.430%0.29819%0.193SC..Hα-helixtrans-59.3-39.2175.817955.2173.7161.73.8113.1L154 M155 E156 L160 D161 G162 M163 Y165 D235L154-R158 WeakPolarHBondContact O-CB 3.41Å; L154-R158 PolarHBondContact O-N 3.4Å; M155-R158 PolarHBondContact O-N 3.34Å; E156-R158 PolarHBondContact O-N 3.11Å; R158-L160 PolarHBondContact O-N 3.49Å; R158-D161 PolarHBondContact O-N 3.34Å; R158-G162 PolarHBondContact NH1-O 2.92Å; R158-G162 VanDerWaalsContact NH1-O 3.14Å; R158-M163 WeakPolarHBondContact CD-O 3.4Å; R158-Y165 HydrophobicContact CB-CD1 3.83Å; R158-Y165 HydrophobicContact CB-CE1 3.77Å; R158-Y165 HydrophobicContact CG-CD1 4.03Å; R158-Y165 HydrophobicContact CG-CE1 3.84Å; R158-D235 WeakPolarHBondContact CD-OD1 3.33Å; R158-D235 IonicContact CZ-OD1 3.73Å; R158-D235 IonicContact CZ-OD2 2.68Å; R158-D235 VanDerWaalsContact CZ-OD2 3.29Å; R158-D235 IonicContact NE-OD1 3.15Å; R158-D235 PolarHBondContact NE-OD1 3.48Å; R158-D235 IonicContact NE-OD2 2.98Å; R158-D235 PolarHBondContact NE-OD2 2.88Å; R158-D235 IonicContact NH2-OD1 3.8Å; R158-D235 IonicContact NH2-OD2 3.14Å; R158-D235 PolarHBondContact NH2-OD2 2.88Å
159K97.7Very high97.5Very high153 Ų15340.5 Ų40.567%0.66519%0.194SC*.Hα-helixtrans-63.4-27.8174.2-63.1172.3-159.8159.90112M155 E156 E157 D161M155-K159 WeakPolarHBondContact O-CG 3.26Å; M155-K159 PolarHBondContact O-N 2.9Å; E156-K159 WeakPolarHBondContact O-CB 3.06Å; E156-K159 PolarHBondContact O-N 2.92Å; E156-K159 WeakPolarHBondContact OE2-CD 3.37Å; E156-K159 IonicContact OE2-NZ 3.51Å; E156-K159 PolarHBondContact OE2-NZ 3.34Å; E157-K159 VanDerWaalsContact C-N 3.32Å; E157-K159 PolarHBondContact O-N 2.84Å; K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.04Å
160L96.5Very high97.6Very high115 Ų11537.8 Ų37.860%0.60218%0.18SC*.THydrogen-bonded Turntrans-90.732.9176.4-56176.5000112.6E156 E157 R158 G162E156-L160 PolarHBondContact O-N 3.48Å; E157-L160 CarbonylContact O-C 3.56Å; E157-L160 WeakPolarHBondContact O-CA 3.43Å; E157-L160 WeakPolarHBondContact O-CB 3.5Å; E157-L160 PolarHBondContact O-N 2.78Å; R158-L160 PolarHBondContact O-N 3.49Å; L160-G162 PolarHBondContact O-N 3.01Å
161D95.2Very high97.6Very high118 Ų11838 Ų3863%0.63118%0.181SC*.THydrogen-bonded Turntrans63.923.5-175.9-179.164.2000113.5K93 R158 K159K93-D161 WeakPolarHBondContact CE-O 3.29Å; K93-D161 PolarHBondContact NZ-O 2.77Å; K93-D161 IonicContact NZ-OD2 3.54Å; K93-D161 PolarHBondContact NZ-OD2 3.04Å; R158-D161 PolarHBondContact O-N 3.34Å; K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.04Å
162G96.7Very high97.6Very high5 Ų538.2 Ų38.25%0.05218%0.182CC..  trans-62.8176.5175.400000114.2Y89 E157 R158 L160 S164Y89-G162 WeakPolarHBondContact OH-CA 3.41Å; E157-G162 WeakPolarHBondContact O-CA 3.43Å; E157-G162 PolarHBondContact O-N 2.87Å; R158-G162 PolarHBondContact NH1-O 2.92Å; R158-G162 VanDerWaalsContact NH1-O 3.14Å; L160-G162 PolarHBondContact O-N 3.01Å; G162-S164 PolarHBondContact O-N 3.05Å
163M97.5Very high97.7Very high4 Ų435.9 Ų35.92%0.0217%0.173CC..  trans-54.5139.8170.4-62.7173.866.600109.8V74 Y89 L92 K93 S96 H98 F99 R158V74-M163 HydrophobicContact CG2-CE 3.99Å; Y89-M163 HydrophobicContact CE2-CB 4.37Å; Y89-M163 HydrophobicContact CE2-CG 4.47Å; Y89-M163 HydrophobicContact CE2-SD 4.23Å; Y89-M163 PolarHBondContact OH-N 3.26Å; L92-M163 HydrophobicContact CB-SD 4.2Å; K93-M163 HydrophobicContact CB-CG 3.8Å; K93-M163 HydrophobicContact CB-SD 4.24Å; K93-M163 HydrophobicContact CG-CG 3.93Å; S96-M163 WeakPolarHBondContact O-CE 3.48Å; H98-M163 WeakPolarHBondContact O-CE 3.4Å; F99-M163 HydrophobicContact CB-CB 4.42Å; F99-M163 HydrophobicContact CB-CE 3.85Å; F99-M163 HydrophobicContact CB-SD 4.45Å; F99-M163 HydrophobicContact CD2-CE 4Å; F99-M163 HydrophobicContact CD2-SD 4.18Å; F99-M163 HydrophobicContact CG-CE 4.45Å; R158-M163 WeakPolarHBondContact CD-O 3.4Å
164S98.1Very high97.8Very high11 Ų1135.1 Ų35.18%0.07717%0.169CC..EExtended strand (participates in β ladder)trans-59148.6164.9610000110.2H97 H98 F99 G162 D235H97-S164 PolarHBondContact O-N 3.26Å; H97-S164 PolarHBondContact O-OG 2.89Å; H98-S164 CarbonylContact C-O 3.09Å; H98-S164 WeakPolarHBondContact CA-O 3.28Å; H98-S164 PolarHBondContact ND1-OG 2.63Å; F99-S164 PolarHBondContact N-O 3.14Å; G162-S164 PolarHBondContact O-N 3.05Å; S164-D235 WeakPolarHBondContact CA-OD1 3.43Å
165Y98.3Very high97.8Very high29 Ų2935.1 Ų35.111%0.11417%0.17CC..EExtended strand (participates in β ladder)trans-123.7155.5-178.964.1-97.3000112.9F99 M155 R158 I167 D235 V237F99-Y165 CarbonylContact O-C 3.57Å; F99-Y165 WeakPolarHBondContact O-CA 3.42Å; M155-Y165 HydrophobicContact CB-CE1 4.35Å; M155-Y165 HydrophobicContact CG-CE1 3.99Å; M155-Y165 HydrophobicContact CG-CE2 4.22Å; R158-Y165 HydrophobicContact CB-CD1 3.83Å; R158-Y165 HydrophobicContact CB-CE1 3.77Å; R158-Y165 HydrophobicContact CG-CD1 4.03Å; R158-Y165 HydrophobicContact CG-CE1 3.84Å; Y165-I167 HydrophobicContact CD2-CD1 3.68Å; Y165-I167 HydrophobicContact CD2-CG1 3.8Å; Y165-I167 HydrophobicContact CE2-CD1 3.89Å; Y165-I167 HydrophobicContact CE2-CG1 4.39Å; Y165-I167 HydrophobicContact CG-CD1 4.41Å; Y165-D235 HydrophobicContact CE1-CB 4.29Å; Y165-D235 PolarHBondContact N-OD1 3.39Å; Y165-D235 VanDerWaalsContact O-CA 3.31Å; Y165-D235 WeakPolarHBondContact O-CA 3.22Å; Y165-D235 PolarHBondContact O-N 3.05Å; Y165-V237 HydrophobicContact CE2-CG2 4.36Å
166T98.7Very high97.8Very high0 Ų034.4 Ų34.40%017%0.166CC..EExtended strand (participates in β ladder)trans-127.4121.6158-55.90000107.1H98 F99 I100 F101 L168 I226 S233 Q236 F238H98-T166 PolarHBondContact CE1-OG1 2.91Å; H98-T166 PolarHBondContact NE2-OG1 3.07Å; F99-T166 PolarHBondContact O-N 2.92Å; I100-T166 CarbonylContact C-O 3.59Å; I100-T166 VanDerWaalsContact CA-O 3.29Å; I100-T166 WeakPolarHBondContact CA-O 3.37Å; F101-T166 PolarHBondContact N-O 2.8Å; T166-L168 HydrophobicContact CG2-CD2 3.75Å; T166-I226 HydrophobicContact CG2-CD1 3.97Å; T166-S233 WeakPolarHBondContact OG1-CB 3.36Å; T166-S233 PolarHBondContact OG1-O 2.75Å; T166-S233 VanDerWaalsContact OG1-O 3.12Å; T166-S233 PolarHBondContact OG1-OG 3.37Å; T166-Q236 WeakPolarHBondContact CA-O 3.45Å; T166-F238 HydrophobicContact CG2-CD2 3.87Å; T166-F238 HydrophobicContact CG2-CE2 4.03Å
167I98.7Very high97.7Very high0 Ų031.1 Ų31.10%015%0.149CC..EExtended strand (participates in β ladder)trans-107.4126.5179.1-67.1163.8000108.7F101 E151 M155 Y165 Q236 V237 F238F101-I167 HydrophobicContact CB-CG1 4.28Å; F101-I167 HydrophobicContact CD1-CG1 4.34Å; F101-I167 HydrophobicContact CD1-CG2 4.32Å; E151-I167 HydrophobicContact CB-CD1 3.94Å; E151-I167 HydrophobicContact CG-CD1 4.05Å; E151-I167 HydrophobicContact CG-CG2 3.69Å; E151-I167 WeakPolarHBondContact OE1-CG2 3.4Å; M155-I167 HydrophobicContact CE-CD1 3.64Å; M155-I167 HydrophobicContact CG-CD1 4.35Å; Y165-I167 HydrophobicContact CD2-CD1 3.68Å; Y165-I167 HydrophobicContact CD2-CG1 3.8Å; Y165-I167 HydrophobicContact CE2-CD1 3.89Å; Y165-I167 HydrophobicContact CE2-CG1 4.39Å; Y165-I167 HydrophobicContact CG-CD1 4.41Å; I167-Q236 PolarHBondContact N-O 3.38Å; I167-V237 HydrophobicContact CB-CB 4.4Å; I167-V237 HydrophobicContact CB-CG1 4.14Å; I167-V237 HydrophobicContact CB-CG2 4.12Å; I167-V237 HydrophobicContact CD1-CG2 4.13Å; I167-V237 HydrophobicContact CG2-CG1 3.95Å; I167-V237 CarbonylContact O-C 3.19Å; I167-V237 WeakPolarHBondContact O-CA 3.39Å; I167-F238 PolarHBondContact O-N 3.37Å
168L98.7Very high97.6Very high0 Ų029.6 Ų29.60%014%0.143CC..EExtended strand (participates in β ladder)trans-109.3107.3179.5-53.4-170.5000109.7I100 F101 I102 S103 T166 L170 F222 I223 I226 F238I100-L168 HydrophobicContact CG2-CD1 4.3Å; I100-L168 HydrophobicContact CG2-CG 4.42Å; F101-L168 PolarHBondContact O-N 3.12Å; I102-L168 HydrophobicContact CD1-CB 4.37Å; I102-L168 HydrophobicContact CD1-CD1 3.89Å; I102-L168 HydrophobicContact CD1-CG 4.39Å; S103-L168 CarbonylContact C-O 3.56Å; S103-L168 VanDerWaalsContact C-O 3.24Å; S103-L168 VanDerWaalsContact CA-O 3.26Å; S103-L168 WeakPolarHBondContact CA-O 3.27Å; S103-L168 WeakPolarHBondContact CB-O 3.27Å; S103-L168 PolarHBondContact N-O 2.61Å; S103-L168 VanDerWaalsContact O-O 3.14Å; T166-L168 HydrophobicContact CG2-CD2 3.75Å; L168-L170 HydrophobicContact CB-CD2 4.22Å; L168-L170 HydrophobicContact CB-CG 4.38Å; L168-L170 PolarHBondContact O-N 2.68Å; L168-F222 HydrophobicContact CD1-CD1 4.26Å; L168-F222 HydrophobicContact CD1-CE1 4.37Å; L168-F222 HydrophobicContact CD2-CD1 4.23Å; L168-F222 HydrophobicContact CD2-CE1 3.52Å; L168-F222 HydrophobicContact CD2-CZ 4.03Å; L168-I223 HydrophobicContact CD1-CD1 4.3Å; L168-I223 HydrophobicContact CD1-CG1 3.87Å; L168-I226 HydrophobicContact CD1-CD1 4.3Å; L168-I226 HydrophobicContact CD2-CD1 4.07Å; L168-F238 HydrophobicContact CD2-CB 4.08Å; L168-F238 HydrophobicContact CD2-CD2 4.09Å
169R98.5Very high97.4Very high5 Ų528.4 Ų28.42%0.01915%0.146CC..EExtended strand (participates in β ladder)trans-84.997.9172.5-68177.5-178.2164.8-0.4108.4I107 Y108 E122 E151 V237 F238 F240I107-R169 VanDerWaalsContact CD1-CZ 3.44Å; I107-R169 HydrophobicContact CG1-CG 4.33Å; Y108-R169 WeakPolarHBondContact OH-CD 3.07Å; Y108-R169 PolarHBondContact OH-NH1 3.37Å; E122-R169 PolarHBondContact O-NH1 2.96Å; E151-R169 WeakPolarHBondContact OE1-CG 3.47Å; E151-R169 IonicContact OE1-NE 2.73Å; E151-R169 PolarHBondContact OE1-NE 3.45Å; E151-R169 VanDerWaalsContact OE1-NE 3.14Å; E151-R169 IonicContact OE2-CZ 4Å; E151-R169 VanDerWaalsContact OE2-CZ 3.31Å; E151-R169 IonicContact OE2-NE 3.16Å; E151-R169 PolarHBondContact OE2-NE 2.8Å; E151-R169 IonicContact OE2-NH2 3.83Å; E151-R169 PolarHBondContact OE2-NH2 2.58Å; R169-V237 HydrophobicContact CG-CG1 4.15Å; R169-F238 PolarHBondContact N-O 2.99Å; R169-F240 PolarHBondContact O-N 3.06Å
170L98.5Very high97.2Very high4 Ų424.2 Ų24.22%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-93.3137.5-178.2-57.7-179.3000110.2I12 I102 S103 S104 D105 L168 V173 V214 I219 F240I12-L170 HydrophobicContact CD1-CD1 3.99Å; I102-L170 HydrophobicContact CG2-CD1 3.59Å; I102-L170 HydrophobicContact CG2-CG 4.4Å; S103-L170 PolarHBondContact O-N 3.34Å; S104-L170 CarbonylContact C-O 3.56Å; S104-L170 WeakPolarHBondContact CA-O 3.2Å; D105-L170 PolarHBondContact N-O 2.92Å; L168-L170 HydrophobicContact CB-CD2 4.22Å; L168-L170 HydrophobicContact CB-CG 4.38Å; L168-L170 PolarHBondContact O-N 2.68Å; L170-V173 HydrophobicContact CB-CG2 4.37Å; L170-V173 HydrophobicContact CD1-CG2 4.48Å; L170-V214 HydrophobicContact CB-CG1 4.48Å; L170-I219 HydrophobicContact CD1-CD1 3.63Å; L170-I219 HydrophobicContact CD1-CG1 4.12Å; L170-I219 HydrophobicContact CD1-CG2 4.16Å; L170-I219 HydrophobicContact CD2-CD1 4.32Å; L170-I219 HydrophobicContact CD2-CG1 4.06Å; L170-F240 HydrophobicContact CD2-CB 4.12Å; L170-F240 HydrophobicContact CD2-CD1 4.06Å
171P98.2Very high97.2Very high5 Ų519.2 Ų19.23%0.03211%0.107CC..  trans-79.5-164.6169.640.4-40.1000110.8D105 V173 S212 V214 F240 A241 I284D105-P171 WeakPolarHBondContact OD1-CA 3.4Å; D105-P171 VanDerWaalsContact OD2-CA 3.32Å; D105-P171 WeakPolarHBondContact OD2-CA 3.1Å; D105-P171 WeakPolarHBondContact OD2-CB 3.36Å; P171-V173 WeakPolarHBondContact O-CG2 3.35Å; P171-V173 PolarHBondContact O-N 2.87Å; P171-S212 WeakPolarHBondContact CB-O 3.18Å; P171-V214 HydrophobicContact CG-CB 3.98Å; P171-V214 HydrophobicContact CG-CG1 3.96Å; P171-F240 WeakPolarHBondContact CD-O 3.29Å; P171-A241 HydrophobicContact CG-CB 3.94Å; P171-I284 HydrophobicContact CB-CD1 4.32Å; P171-I284 HydrophobicContact CG-CD1 4.17Å
172D98.1Very high97.3Very high4 Ų415.8 Ų15.82%0.0219%0.085CC..EExtended strand (participates in β ladder)trans-50.5113.7171.6-77.9-46.5000111.3L174 R182 Y213 V214 F276 P277 S278D172-L174 PolarHBondContact O-N 3.09Å; D172-R182 IonicContact OD1-CZ 2.76Å; D172-R182 IonicContact OD1-NH1 3.31Å; D172-R182 PolarHBondContact OD1-NH1 3.39Å; D172-R182 IonicContact OD1-NH2 3.83Å; D172-R182 PolarHBondContact OD1-NH2 3.49Å; D172-R182 IonicContact OD2-NH1 3Å; D172-Y213 HydrophobicContact CB-CD1 3.69Å; D172-Y213 HydrophobicContact CB-CE1 3.91Å; D172-Y213 WeakPolarHBondContact O-CA 3.42Å; D172-V214 PolarHBondContact O-N 3.23Å; D172-F276 HydrophobicContact CB-CD1 4.11Å; D172-F276 HydrophobicContact CB-CE1 4.14Å; D172-P277 WeakPolarHBondContact OD2-CA 3.41Å; D172-S278 VanDerWaalsContact CG-OG 3.26Å; D172-S278 WeakPolarHBondContact OD1-CB 3.12Å; D172-S278 PolarHBondContact OD1-OG 2.98Å; D172-S278 PolarHBondContact OD2-N 3.25Å; D172-S278 PolarHBondContact OD2-OG 3.15Å
173V98.5Very high97.3Very high20 Ų2015.7 Ų15.712%0.1218%0.083CC..EExtended strand (participates in β ladder)trans-83.7116.3-179.6-171.40000109.3I12 L170 P171 A175 V214 V216 I219I12-V173 HydrophobicContact CD1-CG2 3.88Å; I12-V173 HydrophobicContact CG1-CG1 4.26Å; I12-V173 HydrophobicContact CG1-CG2 4.37Å; L170-V173 HydrophobicContact CB-CG2 4.37Å; L170-V173 HydrophobicContact CD1-CG2 4.48Å; P171-V173 WeakPolarHBondContact O-CG2 3.35Å; P171-V173 PolarHBondContact O-N 2.87Å; V173-A175 HydrophobicContact CG1-CB 4.11Å; V173-V214 CarbonylContact C-O 3.46Å; V173-V214 WeakPolarHBondContact CA-O 3.37Å; V173-V214 HydrophobicContact CB-CG1 4.2Å; V173-V214 HydrophobicContact CG1-CG1 4.25Å; V173-V214 HydrophobicContact CG2-CG1 3.74Å; V173-V216 HydrophobicContact CG1-CB 4.06Å; V173-V216 HydrophobicContact CG1-CG2 4.34Å; V173-I219 HydrophobicContact CB-CD1 4.41Å; V173-I219 HydrophobicContact CG1-CD1 3.62Å; V173-I219 HydrophobicContact CG2-CD1 3.86Å
174L98.7Very high97.4Very high3 Ų315.5 Ų15.52%0.0168%0.082CC..EExtended strand (participates in β ladder)trans-83.1116167.7-53.7-179000107.5D172 W183 Y213 V214 Y215 V216 F243 L250 F276 L307D172-L174 PolarHBondContact O-N 3.09Å; L174-W183 HydrophobicContact CD2-CE3 4.16Å; L174-Y213 HydrophobicContact CD1-CD1 4.41Å; L174-Y213 HydrophobicContact CD1-CG 4.36Å; L174-Y213 HydrophobicContact CD2-CD1 3.9Å; L174-Y213 HydrophobicContact CG-CD1 4.19Å; L174-V214 PolarHBondContact N-O 3.03Å; L174-Y215 WeakPolarHBondContact O-CA 3.17Å; L174-Y215 VanDerWaalsContact O-CD2 3.28Å; L174-Y215 WeakPolarHBondContact O-CD2 3.43Å; L174-V216 PolarHBondContact O-N 3.41Å; L174-F243 HydrophobicContact CD1-CD2 4.28Å; L174-F243 HydrophobicContact CD1-CE2 4.35Å; L174-L250 HydrophobicContact CD1-CD1 3.85Å; L174-L250 HydrophobicContact CD2-CD1 4.42Å; L174-L250 HydrophobicContact CD2-CD2 4.43Å; L174-F276 HydrophobicContact CD2-CE1 4.2Å; L174-F276 HydrophobicContact CD2-CZ 3.98Å; L174-L307 HydrophobicContact CB-CD1 3.76Å
175A98.2Very high97.4Very high1 Ų115.5 Ų15.51%0.0088%0.081CC..  trans-149143.6-170.100000112.8C11 V173 D178 V216 Y311C11-A175 WeakPolarHBondContact SG-CB 3.29Å; V173-A175 HydrophobicContact CG1-CB 4.11Å; A175-D178 HydrophobicContact CB-CB 4.41Å; A175-V216 HydrophobicContact CB-CB 3.59Å; A175-V216 HydrophobicContact CB-CG1 3.79Å; A175-V216 HydrophobicContact CB-CG2 4.06Å; A175-Y311 PolarHBondContact O-OH 3.1Å
176E96.6Very high97.4Very high34 Ų3414.1 Ų14.116%0.1598%0.076CC..THydrogen-bonded Turntrans-60.2146.3154-55.982.2-179.700108.6D178 Y215 V216 L307 F310E176-D178 PolarHBondContact O-N 3.32Å; E176-Y215 PolarHBondContact OE1-OH 2.87Å; E176-V216 VanDerWaalsContact OE2-CG1 3.23Å; E176-V216 WeakPolarHBondContact OE2-CG1 3.39Å; E176-L307 HydrophobicContact CG-CD2 4.27Å; E176-L307 VanDerWaalsContact N-CD2 3.32Å; E176-F310 HydrophobicContact CB-CB 4.42Å; E176-F310 HydrophobicContact CB-CD1 3.88Å; E176-F310 HydrophobicContact CB-CD2 3.72Å; E176-F310 HydrophobicContact CB-CE1 4.07Å; E176-F310 HydrophobicContact CB-CE2 3.91Å; E176-F310 HydrophobicContact CB-CG 3.71Å; E176-F310 HydrophobicContact CB-CZ 4.1Å; E176-F310 HydrophobicContact CG-CB 3.7Å; E176-F310 HydrophobicContact CG-CD1 4.09Å; E176-F310 HydrophobicContact CG-CD2 3.68Å; E176-F310 HydrophobicContact CG-CE2 4.38Å; E176-F310 HydrophobicContact CG-CG 3.52Å
177R95.9Very high97.4Very high20 Ų2014.1 Ų14.18%0.0758%0.076CC..THydrogen-bonded Turntrans63.523.6178.2-56.9177.7-72.5-147.8-2.4114.8S14 E18 W37 N38 S179 F310S14-R177 PolarHBondContact OG-NE 3.12Å; S14-R177 PolarHBondContact OG-NH2 3.42Å; E18-R177 IonicContact OE1-CZ 3.6Å; E18-R177 IonicContact OE1-NH1 2.63Å; E18-R177 PolarHBondContact OE1-NH1 3.29Å; E18-R177 IonicContact OE1-NH2 3.45Å; E18-R177 PolarHBondContact OE1-NH2 3.06Å; E18-R177 IonicContact OE2-CZ 2.96Å; E18-R177 IonicContact OE2-NH1 3.98Å; E18-R177 IonicContact OE2-NH2 3.78Å; E18-R177 PolarHBondContact OE2-NH2 3.47Å; W37-R177 HydrophobicContact CB-CB 4.39Å; W37-R177 HydrophobicContact CB-CG 3.8Å; W37-R177 VanDerWaalsContact CD1-CB 3.46Å; W37-R177 HydrophobicContact CD2-CB 3.88Å; W37-R177 HydrophobicContact CD2-CG 3.77Å; W37-R177 HydrophobicContact CE3-CG 4.25Å; W37-R177 HydrophobicContact CG-CB 3.69Å; W37-R177 HydrophobicContact CG-CG 3.54Å; W37-R177 PolarHBondContact NE1-O 3.45Å; N38-R177 PolarHBondContact OD1-NH1 2.9Å; N38-R177 VanDerWaalsContact OD1-NH1 3.15Å; R177-S179 PolarHBondContact O-N 3.16Å; R177-F310 HydrophobicContact CG-CE1 4.32Å; R177-F310 HydrophobicContact CG-CE2 4.12Å; R177-F310 HydrophobicContact CG-CZ 3.54Å
178D96Very high97.3Very high12 Ų1214.1 Ų14.16%0.0648%0.076CC..  trans-60.5123.3174.4174.726.5000111.7A175 E176 T180 K181 R182 Y311A175-D178 HydrophobicContact CB-CB 4.41Å; E176-D178 PolarHBondContact O-N 3.32Å; D178-T180 VanDerWaalsContact C-N 3.34Å; D178-T180 VanDerWaalsContact CG-OG1 3.27Å; D178-T180 PolarHBondContact OD1-N 3.18Å; D178-T180 PolarHBondContact OD1-OG1 3.32Å; D178-T180 VanDerWaalsContact OD1-OG1 3.06Å; D178-T180 PolarHBondContact OD2-OG1 3.08Å; D178-K181 WeakPolarHBondContact O-CG 3.23Å; D178-K181 PolarHBondContact O-N 3.44Å; D178-K181 PolarHBondContact OD2-N 3.43Å; D178-K181 VanDerWaalsContact OD2-N 3.1Å; D178-R182 PolarHBondContact OD2-N 2.99Å; D178-Y311 PolarHBondContact N-OH 3.45Å
179S92.2Very high97.2Very high53 Ų5314.3 Ų14.337%0.3718%0.076SC..SBendtrans-74.4-21.6178.646.70000114.1R177 K181R177-S179 PolarHBondContact O-N 3.16Å; S179-K181 VanDerWaalsContact C-N 3.29Å
180T93.7Very high97.1Very high66 Ų6614.1 Ų14.141%0.4058%0.076SC..SBendtrans-80.2-17.9174.673.90000111.8D178 R182D178-T180 VanDerWaalsContact C-N 3.34Å; D178-T180 VanDerWaalsContact CG-OG1 3.27Å; D178-T180 PolarHBondContact OD1-N 3.18Å; D178-T180 PolarHBondContact OD1-OG1 3.32Å; D178-T180 VanDerWaalsContact OD1-OG1 3.06Å; D178-T180 PolarHBondContact OD2-OG1 3.08Å; T180-R182 PolarHBondContact O-N 2.88Å; T180-R182 WeakPolarHBondContact OG1-CD 3.32Å; T180-R182 WeakPolarHBondContact OG1-CG 3.37Å; T180-R182 PolarHBondContact OG1-NE 2.93Å
181K95.5Very high97Very high9 Ų916.4 Ų16.44%0.0399%0.086CC..  trans5816.7174.6-59.2160.9172.6-167.10113.6D178 S179 W183 W184 Q185 E321 E324 V325D178-K181 WeakPolarHBondContact O-CG 3.23Å; D178-K181 PolarHBondContact O-N 3.44Å; D178-K181 PolarHBondContact OD2-N 3.43Å; D178-K181 VanDerWaalsContact OD2-N 3.1Å; S179-K181 VanDerWaalsContact C-N 3.29Å; K181-W183 VanDerWaalsContact C-N 3.34Å; K181-W183 PolarHBondContact O-N 3.44Å; K181-W184 PolarHBondContact O-N 3.29Å; K181-Q185 WeakPolarHBondContact O-CG 3.21Å; K181-Q185 PolarHBondContact O-N 3.19Å; K181-E321 PolarHBondContact NZ-O 3.38Å; K181-E321 VanDerWaalsContact NZ-O 3.14Å; K181-E324 IonicContact NZ-OE1 2.64Å; K181-E324 PolarHBondContact NZ-OE1 3.24Å; K181-E324 IonicContact NZ-OE2 3.34Å; K181-E324 PolarHBondContact NZ-OE2 2.89Å; K181-V325 HydrophobicContact CB-CB 4.32Å; K181-V325 HydrophobicContact CB-CG2 3.88Å; K181-V325 HydrophobicContact CD-CB 4.01Å; K181-V325 HydrophobicContact CD-CG2 4.46Å
182R97.4Very high96.9Very high47 Ų4717.3 Ų17.318%0.1779%0.09CC..Hα-helixtrans-62-41.8-173.3-68.9179-57.2149.9-10.5111.6D172 D178 T180 Y186 F275 F276D172-R182 IonicContact OD1-CZ 2.76Å; D172-R182 IonicContact OD1-NH1 3.31Å; D172-R182 PolarHBondContact OD1-NH1 3.39Å; D172-R182 IonicContact OD1-NH2 3.83Å; D172-R182 PolarHBondContact OD1-NH2 3.49Å; D172-R182 IonicContact OD2-NH1 3Å; D178-R182 PolarHBondContact OD2-N 2.99Å; T180-R182 PolarHBondContact O-N 2.88Å; T180-R182 WeakPolarHBondContact OG1-CD 3.32Å; T180-R182 WeakPolarHBondContact OG1-CG 3.37Å; T180-R182 PolarHBondContact OG1-NE 2.93Å; R182-Y186 PolarHBondContact O-N 3.46Å; R182-F275 HydrophobicContact CB-CB 3.82Å; R182-F275 VanDerWaalsContact CD-O 3.27Å; R182-F275 WeakPolarHBondContact CD-O 3.34Å; R182-F275 HydrophobicContact CG-CB 4.03Å; R182-F275 PolarHBondContact NH1-O 3.48Å; R182-F276 HydrophobicContact CB-CE1 4.13Å; R182-F276 HydrophobicContact CB-CE2 3.99Å; R182-F276 HydrophobicContact CB-CZ 3.69Å
183W98.3Very high96.8Very high3 Ų318.2 Ų18.21%0.01110%0.095CC..Hα-helixtrans-59.3-48.9170.4179.1-80000111.8L174 K181 Q185 Y186 Q187 L250 M254 T304 L307 Y311L174-W183 HydrophobicContact CD2-CE3 4.16Å; K181-W183 VanDerWaalsContact C-N 3.34Å; K181-W183 PolarHBondContact O-N 3.44Å; W183-Q185 VanDerWaalsContact C-N 3.34Å; W183-Q185 PolarHBondContact O-N 3.25Å; W183-Y186 PolarHBondContact O-N 2.87Å; W183-Q187 PolarHBondContact O-N 2.92Å; W183-L250 HydrophobicContact CZ3-CD1 3.92Å; W183-L250 HydrophobicContact CZ3-CG 4.38Å; W183-M254 HydrophobicContact CD2-CE 3.49Å; W183-M254 VanDerWaalsContact CD2-CE 3.49Å; W183-M254 HydrophobicContact CE3-CE 3.74Å; W183-M254 HydrophobicContact CG-CE 4.04Å; W183-M254 HydrophobicContact CH2-CB 4.09Å; W183-M254 HydrophobicContact CH2-CE 3.79Å; W183-M254 HydrophobicContact CH2-CG 4.36Å; W183-M254 HydrophobicContact CZ2-CB 4.27Å; W183-M254 HydrophobicContact CZ2-CE 3.56Å; W183-M254 HydrophobicContact CZ2-CG 4.05Å; W183-M254 HydrophobicContact CZ3-CE 3.89Å; W183-T304 HydrophobicContact CH2-CG2 3.56Å; W183-T304 HydrophobicContact CZ3-CG2 4.18Å; W183-L307 HydrophobicContact CD2-CB 4.04Å; W183-L307 HydrophobicContact CD2-CD1 3.82Å; W183-L307 VanDerWaalsContact CE2-CB 3.42Å; W183-L307 HydrophobicContact CE3-CD1 3.76Å; W183-L307 HydrophobicContact CH2-CB 4.33Å; W183-L307 HydrophobicContact CH2-CD1 4.06Å; W183-L307 HydrophobicContact CZ2-CB 3.59Å; W183-L307 HydrophobicContact CZ2-CD1 4.1Å; W183-L307 HydrophobicContact CZ3-CD1 3.88Å; W183-Y311 HydrophobicContact CB-CE2 4.23Å; W183-Y311 AromaticContact CD1-CD2 3.19Å; W183-Y311 AromaticContact CD1-CE2 3.29Å; W183-Y311 HydrophobicContact CG-CD2 4.23Å; W183-Y311 AromaticContact CG-CE2 3.93Å; W183-Y311 HydrophobicContact CG-CE2 3.93Å; W183-Y311 AromaticContact NE1-CD2 3.62Å
184W98.3Very high96.5Very high0 Ų024 Ų240%013%0.125CC..Hα-helixtrans-68.4-33.8-173.1-162.411000112.7W37 K181 Q187 I188 Y311 A314 I315 E321 R322 V325W37-W184 AromaticContact CH2-CE3 3.87Å; W37-W184 HydrophobicContact CH2-CE3 3.87Å; W37-W184 HydrophobicContact CH2-CH2 4.49Å; W37-W184 AromaticContact CH2-CZ3 3.58Å; W37-W184 HydrophobicContact CH2-CZ3 3.58Å; W37-W184 HydrophobicContact CZ3-CH2 4.48Å; W37-W184 AromaticContact CZ3-CZ3 3.98Å; W37-W184 HydrophobicContact CZ3-CZ3 3.98Å; K181-W184 PolarHBondContact O-N 3.29Å; W184-Q187 PolarHBondContact O-N 3.28Å; W184-I188 HydrophobicContact CD2-CD1 4.41Å; W184-I188 HydrophobicContact CG-CD1 4.27Å; W184-I188 WeakPolarHBondContact O-CG1 3.2Å; W184-I188 PolarHBondContact O-N 3.04Å; W184-Y311 HydrophobicContact CB-CD1 3.75Å; W184-Y311 HydrophobicContact CB-CE1 3.66Å; W184-Y311 HydrophobicContact CB-CG 4.22Å; W184-Y311 AromaticContact CD1-CD1 3.66Å; W184-Y311 AromaticContact CD1-CG 3.89Å; W184-Y311 AromaticContact CD2-CD1 3.36Å; W184-Y311 HydrophobicContact CD2-CD1 3.36Å; W184-Y311 AromaticContact CD2-CE1 3.69Å; W184-Y311 HydrophobicContact CD2-CE1 3.69Å; W184-Y311 HydrophobicContact CD2-CG 4.33Å; W184-Y311 AromaticContact CE2-CD1 3.75Å; W184-Y311 AromaticContact CE3-CD1 3.85Å; W184-Y311 HydrophobicContact CE3-CD1 3.85Å; W184-Y311 AromaticContact CE3-CE1 3.76Å; W184-Y311 HydrophobicContact CE3-CE1 3.76Å; W184-Y311 AromaticContact CG-CD1 3.33Å; W184-Y311 HydrophobicContact CG-CD1 3.33Å; W184-Y311 AromaticContact CG-CE1 3.69Å; W184-Y311 HydrophobicContact CG-CE1 3.69Å; W184-Y311 AromaticContact CG-CG 3.92Å; W184-Y311 HydrophobicContact CG-CG 3.92Å; W184-Y311 HydrophobicContact CZ2-CD1 4.48Å; W184-Y311 AromaticContact NE1-CD1 3.89Å; W184-A314 HydrophobicContact CH2-CB 4.26Å; W184-A314 HydrophobicContact CZ2-CB 4.22Å; W184-I315 HydrophobicContact CZ2-CB 4.09Å; W184-I315 HydrophobicContact CZ2-CG1 4.32Å; W184-E321 HydrophobicContact CH2-CB 4.4Å; W184-E321 HydrophobicContact CZ3-CB 3.8Å; W184-R322 VanDerWaalsContact CH2-CA 3.42Å; W184-R322 HydrophobicContact CH2-CB 3.77Å; W184-R322 HydrophobicContact CZ2-CB 4.15Å; W184-R322 HydrophobicContact CZ2-CG 4.47Å; W184-V325 HydrophobicContact CB-CG2 4.17Å; W184-V325 HydrophobicContact CD2-CB 4.36Å; W184-V325 HydrophobicContact CD2-CG1 3.68Å; W184-V325 HydrophobicContact CD2-CG2 4.38Å; W184-V325 HydrophobicContact CE3-CB 4.04Å; W184-V325 HydrophobicContact CE3-CG1 3.6Å; W184-V325 HydrophobicContact CE3-CG2 4.4Å; W184-V325 HydrophobicContact CG-CG1 4.29Å; W184-V325 HydrophobicContact CG-CG2 4.29Å; W184-V325 HydrophobicContact CH2-CG1 4.22Å; W184-V325 HydrophobicContact CZ2-CG1 4.26Å; W184-V325 HydrophobicContact CZ3-CG1 3.88Å
185Q98.1Very high96.3Very high11 Ų1127.2 Ų27.25%0.05114%0.142CC..Hα-helixtrans-57.2-50.5171.6-73.8-171.792.100111.3K181 W183 Q187 I188 W189 F275 V325 S328 L329K181-Q185 WeakPolarHBondContact O-CG 3.21Å; K181-Q185 PolarHBondContact O-N 3.19Å; W183-Q185 VanDerWaalsContact C-N 3.34Å; W183-Q185 PolarHBondContact O-N 3.25Å; Q185-Q187 PolarHBondContact O-N 2.9Å; Q185-I188 PolarHBondContact O-N 3.33Å; Q185-W189 VanDerWaalsContact O-CB 3.32Å; Q185-W189 WeakPolarHBondContact O-CB 3.46Å; Q185-W189 PolarHBondContact O-N 3.13Å; Q185-F275 HydrophobicContact CB-CD2 3.8Å; Q185-F275 HydrophobicContact CB-CE2 3.6Å; Q185-F275 HydrophobicContact CB-CG 4.43Å; Q185-F275 HydrophobicContact CB-CZ 4.05Å; Q185-V325 HydrophobicContact CB-CG2 4.43Å; Q185-V325 HydrophobicContact CG-CG2 3.51Å; Q185-S328 PolarHBondContact OE1-OG 2.74Å; Q185-L329 HydrophobicContact CB-CD1 4.16Å; Q185-L329 HydrophobicContact CG-CB 4.47Å
186Y98.2Very high96.2Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-62.1-42.2175.1-85.8-57.9000112.8R182 W183 W189 M190 I200 L251 C274 F275 F276R182-Y186 PolarHBondContact O-N 3.46Å; W183-Y186 PolarHBondContact O-N 2.87Å; Y186-W189 AromaticContact CD1-CE3 3.92Å; Y186-W189 HydrophobicContact CD1-CE3 3.92Å; Y186-W189 HydrophobicContact CD1-CZ3 4.34Å; Y186-W189 AromaticContact CE1-CE3 3.96Å; Y186-W189 HydrophobicContact CE1-CE3 3.96Å; Y186-W189 AromaticContact CE1-CZ3 3.9Å; Y186-W189 HydrophobicContact CE1-CZ3 3.9Å; Y186-W189 PolarHBondContact O-N 3.27Å; Y186-M190 WeakPolarHBondContact O-CG 3.4Å; Y186-M190 PolarHBondContact O-N 3.41Å; Y186-I200 HydrophobicContact CD1-CG2 4.47Å; Y186-I200 HydrophobicContact CE1-CG2 4.24Å; Y186-L251 HydrophobicContact CD1-CD1 4.12Å; Y186-L251 HydrophobicContact CD1-CD2 3.66Å; Y186-L251 HydrophobicContact CD2-CD2 3.71Å; Y186-L251 HydrophobicContact CE1-CD1 3.78Å; Y186-L251 HydrophobicContact CE1-CD2 4.04Å; Y186-L251 HydrophobicContact CE2-CD2 4.05Å; Y186-L251 HydrophobicContact CG-CD2 3.5Å; Y186-C274 WeakPolarHBondContact OH-CA 3.37Å; Y186-C274 PolarHBondContact OH-SG 2.92Å; Y186-F275 HydrophobicContact CD1-CD2 4.17Å; Y186-F275 HydrophobicContact CD1-CE2 4.49Å; Y186-F275 HydrophobicContact CD2-CB 4.08Å; Y186-F275 AromaticContact CD2-CD2 3.63Å; Y186-F275 HydrophobicContact CD2-CD2 3.63Å; Y186-F275 HydrophobicContact CD2-CG 4.35Å; Y186-F275 HydrophobicContact CE1-CD2 4.05Å; Y186-F275 HydrophobicContact CE1-CE2 4.43Å; Y186-F275 HydrophobicContact CE2-CB 3.62Å; Y186-F275 AromaticContact CE2-CD2 3.53Å; Y186-F275 HydrophobicContact CE2-CD2 3.53Å; Y186-F275 HydrophobicContact CE2-CG 4Å; Y186-F275 AromaticContact CG-CD2 3.95Å; Y186-F275 HydrophobicContact CG-CD2 3.95Å; Y186-F275 AromaticContact CZ-CD2 3.73Å; Y186-F275 PolarHBondContact OH-N 3.27Å; Y186-F276 AromaticContact CD2-CD2 3.98Å; Y186-F276 HydrophobicContact CD2-CD2 3.98Å; Y186-F276 HydrophobicContact CD2-CE2 4.28Å; Y186-F276 AromaticContact CE2-CD2 3.89Å; Y186-F276 HydrophobicContact CE2-CD2 3.89Å
187Q98.2Very high95.9Very high0 Ų030.7 Ų30.70%017%0.168CC..Hα-helixtrans-63.1-45.4179.6173.4164.1-13.500111.9W183 W184 Q185 W189 M190 Q191 M254 L258 C308 N312W183-Q187 PolarHBondContact O-N 2.92Å; W184-Q187 PolarHBondContact O-N 3.28Å; Q185-Q187 PolarHBondContact O-N 2.9Å; Q187-W189 VanDerWaalsContact C-N 3.34Å; Q187-M190 PolarHBondContact O-N 2.96Å; Q187-Q191 HydrophobicContact CG-CG 4.36Å; Q187-Q191 WeakPolarHBondContact O-CB 3.48Å; Q187-Q191 VanDerWaalsContact O-CG 3.26Å; Q187-Q191 WeakPolarHBondContact O-CG 3.39Å; Q187-Q191 PolarHBondContact O-N 3.18Å; Q187-M254 HydrophobicContact CB-CE 4.31Å; Q187-M254 HydrophobicContact CB-SD 4.01Å; Q187-L258 HydrophobicContact CG-CD1 4.05Å; Q187-L258 HydrophobicContact CG-CD2 4.46Å; Q187-C308 PolarHBondContact NE2-O 2.98Å; Q187-N312 PolarHBondContact NE2-OD1 3.45Å
188I97.5Very high95.7Very high0 Ų033.8 Ų33.80%018%0.182CC..Hα-helixtrans-63.4-42.7174.4-69.6172.1000110.4W184 Q185 M190 Q191 F192 V325 V326 L329 I347W184-I188 HydrophobicContact CD2-CD1 4.41Å; W184-I188 HydrophobicContact CG-CD1 4.27Å; W184-I188 WeakPolarHBondContact O-CG1 3.2Å; W184-I188 PolarHBondContact O-N 3.04Å; Q185-I188 PolarHBondContact O-N 3.33Å; I188-M190 VanDerWaalsContact C-N 3.29Å; I188-M190 PolarHBondContact O-N 2.96Å; I188-Q191 PolarHBondContact O-N 3.29Å; I188-F192 HydrophobicContact CG2-CD2 3.92Å; I188-F192 WeakPolarHBondContact O-CD2 3.45Å; I188-F192 PolarHBondContact O-N 3.09Å; I188-V325 HydrophobicContact CD1-CG1 3.45Å; I188-V325 VanDerWaalsContact CD1-CG1 3.45Å; I188-V325 HydrophobicContact CD1-CG2 4.29Å; I188-V326 HydrophobicContact CD1-CG2 4.03Å; I188-L329 HydrophobicContact CB-CD2 3.95Å; I188-L329 HydrophobicContact CG2-CD2 3.57Å; I188-I347 HydrophobicContact CG2-CD1 4.19Å
189W97.4Very high95.6Very high3 Ų337.3 Ų37.31%0.01120%0.201CC..Hα-helixtrans-59.1-40.3177.9-170.25.8000112.2Q185 Y186 Q187 N193 I196 K198 D199 I200 F275 L329 L333Q185-W189 VanDerWaalsContact O-CB 3.32Å; Q185-W189 WeakPolarHBondContact O-CB 3.46Å; Q185-W189 PolarHBondContact O-N 3.13Å; Y186-W189 AromaticContact CD1-CE3 3.92Å; Y186-W189 HydrophobicContact CD1-CE3 3.92Å; Y186-W189 HydrophobicContact CD1-CZ3 4.34Å; Y186-W189 AromaticContact CE1-CE3 3.96Å; Y186-W189 HydrophobicContact CE1-CE3 3.96Å; Y186-W189 AromaticContact CE1-CZ3 3.9Å; Y186-W189 HydrophobicContact CE1-CZ3 3.9Å; Y186-W189 PolarHBondContact O-N 3.27Å; Q187-W189 VanDerWaalsContact C-N 3.34Å; W189-N193 WeakPolarHBondContact O-CA 3.24Å; W189-N193 WeakPolarHBondContact O-CB 3.44Å; W189-N193 PolarHBondContact O-N 2.78Å; W189-I196 HydrophobicContact CB-CD1 4.48Å; W189-I196 HydrophobicContact CG-CD1 4.49Å; W189-K198 PolarHBondContact NE1-O 2.94Å; W189-K198 VanDerWaalsContact NE1-O 3.1Å; W189-D199 WeakPolarHBondContact CZ2-O 3.34Å; W189-I200 HydrophobicContact CD2-CG1 3.74Å; W189-I200 HydrophobicContact CE3-CG1 4.22Å; W189-I200 HydrophobicContact CG-CD1 4.42Å; W189-I200 HydrophobicContact CG-CG1 4.02Å; W189-I200 HydrophobicContact CZ2-CB 4.48Å; W189-I200 HydrophobicContact CZ2-CG1 4.18Å; W189-I200 HydrophobicContact CZ3-CG2 4.46Å; W189-F275 HydrophobicContact CE3-CE2 4.3Å; W189-L329 HydrophobicContact CB-CD1 4.28Å; W189-L329 HydrophobicContact CB-CD2 4.19Å; W189-L333 HydrophobicContact CD2-CD1 3.95Å; W189-L333 HydrophobicContact CD2-CD2 4.14Å; W189-L333 HydrophobicContact CE3-CD2 4.17Å; W189-L333 HydrophobicContact CG-CD1 3.99Å; W189-L333 HydrophobicContact CH2-CD2 3.69Å; W189-L333 HydrophobicContact CZ2-CD1 4.41Å; W189-L333 HydrophobicContact CZ2-CD2 3.64Å; W189-L333 HydrophobicContact CZ3-CD2 3.96Å
190M96.6Very high95.8Very high1 Ų134.8 Ų34.81%0.00518%0.183CC..Hα-helixtrans-68.2-51.6174-74.7-174.4-17800112.5Y186 Q187 I188 F192 N193 I200 L251 M254 R255 L258 L260 M265Y186-M190 WeakPolarHBondContact O-CG 3.4Å; Y186-M190 PolarHBondContact O-N 3.41Å; Q187-M190 PolarHBondContact O-N 2.96Å; I188-M190 VanDerWaalsContact C-N 3.29Å; I188-M190 PolarHBondContact O-N 2.96Å; M190-F192 VanDerWaalsContact C-N 3.29Å; M190-F192 PolarHBondContact O-N 2.7Å; M190-N193 WeakPolarHBondContact O-CB 3.42Å; M190-N193 PolarHBondContact O-N 3.35Å; M190-I200 HydrophobicContact CB-CD1 4.23Å; M190-I200 HydrophobicContact CE-CD1 3.86Å; M190-I200 HydrophobicContact CG-CD1 3.2Å; M190-I200 HydrophobicContact SD-CD1 4.41Å; M190-L251 HydrophobicContact CE-CB 3.76Å; M190-L251 HydrophobicContact CE-CD2 4Å; M190-L251 HydrophobicContact CE-CG 4.32Å; M190-M254 HydrophobicContact CE-SD 4.11Å; M190-M254 HydrophobicContact SD-CB 4.25Å; M190-M254 HydrophobicContact SD-CG 3.84Å; M190-M254 HydrophobicContact SD-SD 3.56Å; M190-R255 HydrophobicContact CE-CB 4.39Å; M190-R255 HydrophobicContact SD-CB 4.09Å; M190-L258 HydrophobicContact CB-CD1 4.33Å; M190-L258 HydrophobicContact SD-CD1 4.45Å; M190-L260 HydrophobicContact CB-CD1 3.95Å; M190-M265 HydrophobicContact CE-SD 4.08Å
191Q96Very high95.9Very high53 Ų5332.3 Ų32.325%0.24817%0.168CC..Hα-helixtrans-66.6-30.8-172.9-70.9-177.9-68.500113.4Q187 I188 L258 L260 N312Q187-Q191 HydrophobicContact CG-CG 4.36Å; Q187-Q191 WeakPolarHBondContact O-CB 3.48Å; Q187-Q191 VanDerWaalsContact O-CG 3.26Å; Q187-Q191 WeakPolarHBondContact O-CG 3.39Å; Q187-Q191 PolarHBondContact O-N 3.18Å; I188-Q191 PolarHBondContact O-N 3.29Å; Q191-L258 HydrophobicContact CG-CD1 4.06Å; Q191-L258 HydrophobicContact CG-CD2 4.41Å; Q191-L260 HydrophobicContact CG-CD1 4.04Å; Q191-N312 PolarHBondContact NE2-OD1 2.97Å
192F95.9Very high95.9Very high24 Ų2432.1 Ų32.111%0.10517%0.168CC..THydrogen-bonded Turntrans-112.624.6-179.3-60.1-87.3000112.2I188 M190 D194 L195 I196 I315 L343 A346 I347 F350I188-F192 HydrophobicContact CG2-CD2 3.92Å; I188-F192 WeakPolarHBondContact O-CD2 3.45Å; I188-F192 PolarHBondContact O-N 3.09Å; M190-F192 VanDerWaalsContact C-N 3.29Å; M190-F192 PolarHBondContact O-N 2.7Å; F192-D194 PolarHBondContact O-N 3.14Å; F192-L195 HydrophobicContact CD1-CD1 4.18Å; F192-L195 PolarHBondContact O-N 3.02Å; F192-I196 HydrophobicContact CB-CD1 4.31Å; F192-I196 WeakPolarHBondContact O-CG1 3.43Å; F192-I196 PolarHBondContact O-N 3.39Å; F192-I315 HydrophobicContact CE2-CD1 3.87Å; F192-I315 HydrophobicContact CZ-CD1 4.1Å; F192-L343 HydrophobicContact CB-CD1 3.44Å; F192-L343 VanDerWaalsContact CB-CD1 3.44Å; F192-L343 HydrophobicContact CD1-CD1 4.11Å; F192-L343 HydrophobicContact CD2-CD1 4.4Å; F192-L343 HydrophobicContact CG-CD1 3.74Å; F192-A346 HydrophobicContact CD1-CB 4.45Å; F192-A346 HydrophobicContact CE1-CB 4.45Å; F192-I347 HydrophobicContact CD1-CG1 4.21Å; F192-I347 HydrophobicContact CD2-CD1 4.43Å; F192-I347 HydrophobicContact CD2-CG1 4.2Å; F192-I347 HydrophobicContact CE1-CG1 3.77Å; F192-I347 HydrophobicContact CE2-CD1 4.29Å; F192-I347 HydrophobicContact CE2-CG1 3.77Å; F192-I347 HydrophobicContact CG-CG1 4.41Å; F192-I347 HydrophobicContact CZ-CB 4.48Å; F192-I347 HydrophobicContact CZ-CG1 3.54Å; F192-F350 HydrophobicContact CZ-CB 4.47Å; F192-F350 HydrophobicContact CZ-CG 4.46Å
193N95.2Very high95.7Very high23 Ų2330.1 Ų30.112%0.12316%0.161CC..Hα-helixtrans-56.2-38.6-177.2-168.1-102.5000112.8W189 M190 L195 I196 C197 K198 I263W189-N193 WeakPolarHBondContact O-CA 3.24Å; W189-N193 WeakPolarHBondContact O-CB 3.44Å; W189-N193 PolarHBondContact O-N 2.78Å; M190-N193 WeakPolarHBondContact O-CB 3.42Å; M190-N193 PolarHBondContact O-N 3.35Å; N193-L195 PolarHBondContact O-N 2.78Å; N193-I196 PolarHBondContact O-N 3.08Å; N193-C197 PolarHBondContact O-N 3.49Å; N193-K198 PolarHBondContact ND2-O 2.96Å; N193-I263 HydrophobicContact CB-CD1 3.62Å
194D93.2Very high95.5Very high142 Ų14235 Ų3576%0.75919%0.187SC*.Hα-helixtrans-60.8-24.5177.5-68.8-17.8000113.8F192 C197F192-D194 PolarHBondContact O-N 3.14Å; D194-C197 PolarHBondContact O-SG 3.38Å
195L94.2Very high95.1Very high69 Ų6938.3 Ų38.336%0.36121%0.214SC..Hα-helixtrans-94.3-38.1175.9-65.1175.2000111.9F192 N193 C197 T339 A346F192-L195 HydrophobicContact CD1-CD1 4.18Å; F192-L195 PolarHBondContact O-N 3.02Å; N193-L195 PolarHBondContact O-N 2.78Å; L195-C197 VanDerWaalsContact C-N 3.29Å; L195-T339 WeakPolarHBondContact O-CG2 3.28Å; L195-A346 HydrophobicContact CD1-CB 3.21Å
196I95.2Very high94.9Very high5 Ų539.4 Ų39.43%0.02622%0.22CC..Hα-helixtrans-68.5-33.5179.2-69.8169.3000110.4W189 F192 N193 K198 L329 L333 L335 L343W189-I196 HydrophobicContact CB-CD1 4.48Å; W189-I196 HydrophobicContact CG-CD1 4.49Å; F192-I196 HydrophobicContact CB-CD1 4.31Å; F192-I196 WeakPolarHBondContact O-CG1 3.43Å; F192-I196 PolarHBondContact O-N 3.39Å; N193-I196 PolarHBondContact O-N 3.08Å; I196-K198 HydrophobicContact CG2-CB 4Å; I196-K198 HydrophobicContact CG2-CG 4.35Å; I196-K198 PolarHBondContact O-N 2.93Å; I196-L329 HydrophobicContact CD1-CD2 4.26Å; I196-L333 HydrophobicContact CD1-CD1 4.49Å; I196-L333 HydrophobicContact CG2-CD1 3.7Å; I196-L335 HydrophobicContact CG1-CD1 4.24Å; I196-L335 HydrophobicContact CG2-CD1 4.36Å; I196-L335 HydrophobicContact CG2-CD2 4.09Å; I196-L343 HydrophobicContact CD1-CD1 4.46Å; I196-L343 HydrophobicContact CD1-CD2 4.21Å; I196-L343 HydrophobicContact CG1-CD1 4.3Å; I196-L343 HydrophobicContact CG1-CD2 4.07Å
197C90.6Very high94.5Very high104 Ų10442.6 Ų42.670%0.70323%0.234SC*.  trans52.935.5178.9-63.70000113.5N193 D194 L195N193-C197 PolarHBondContact O-N 3.49Å; D194-C197 PolarHBondContact O-SG 3.38Å; L195-C197 VanDerWaalsContact C-N 3.29Å
198K92.9Very high94.3Very high84 Ų8449.9 Ų49.937%0.36527%0.268SS..  trans-127.5131.3173.6-67-165.8171.6-164.60110.2W189 N193 I196 L333 L335W189-K198 PolarHBondContact NE1-O 2.94Å; W189-K198 VanDerWaalsContact NE1-O 3.1Å; N193-K198 PolarHBondContact ND2-O 2.96Å; I196-K198 HydrophobicContact CG2-CB 4Å; I196-K198 HydrophobicContact CG2-CG 4.35Å; I196-K198 PolarHBondContact O-N 2.93Å; K198-L333 HydrophobicContact CD-CB 4.47Å; K198-L333 WeakPolarHBondContact CE-O 3.36Å; K198-L333 PolarHBondContact NZ-O 3.43Å; K198-L335 HydrophobicContact CD-CD2 4.04Å
199D93.6Very high94.1Very high86 Ų8652 Ų5246%0.4628%0.279SS..PPolyproline II helixtrans-62142174.5-66.1-43.6000110.6W189 T201 I266W189-D199 WeakPolarHBondContact CZ2-O 3.34Å; D199-T201 PolarHBondContact O-N 2.96Å; D199-I266 HydrophobicContact CB-CD1 3.73Å; D199-I266 HydrophobicContact CB-CG1 3.94Å
200I95.9Very high94Very high0 Ų053.7 Ų53.70%029%0.291CS..EExtended strand (participates in β ladder)trans-76.5117170.5-63.3172.9000107.6Y186 W189 M190 L251 I263 M265 I266Y186-I200 HydrophobicContact CD1-CG2 4.47Å; Y186-I200 HydrophobicContact CE1-CG2 4.24Å; W189-I200 HydrophobicContact CD2-CG1 3.74Å; W189-I200 HydrophobicContact CE3-CG1 4.22Å; W189-I200 HydrophobicContact CG-CD1 4.42Å; W189-I200 HydrophobicContact CG-CG1 4.02Å; W189-I200 HydrophobicContact CZ2-CB 4.48Å; W189-I200 HydrophobicContact CZ2-CG1 4.18Å; W189-I200 HydrophobicContact CZ3-CG2 4.46Å; M190-I200 HydrophobicContact CB-CD1 4.23Å; M190-I200 HydrophobicContact CE-CD1 3.86Å; M190-I200 HydrophobicContact CG-CD1 3.2Å; M190-I200 HydrophobicContact SD-CD1 4.41Å; I200-L251 HydrophobicContact CG2-CD1 3.97Å; I200-I263 HydrophobicContact CD1-CG2 4.01Å; I200-M265 HydrophobicContact CB-CG 3.99Å; I200-M265 HydrophobicContact CG2-CG 3.94Å; I200-M265 HydrophobicContact CG2-SD 4.28Å; I200-M265 CarbonylContact O-C 3.52Å; I200-M265 WeakPolarHBondContact O-CA 3.39Å; I200-I266 PolarHBondContact O-N 2.89Å
201T95.1Very high94Very high15 Ų1553.6 Ų53.69%0.09229%0.291CS..EExtended strand (participates in β ladder)trans-102151-175.9560000111.4D199 I266 D272D199-T201 PolarHBondContact O-N 2.96Å; T201-I266 CarbonylContact C-O 3.52Å; T201-I266 WeakPolarHBondContact CA-O 3.05Å; T201-I266 HydrophobicContact CG2-CD1 4.22Å; T201-I266 HydrophobicContact CG2-CG1 3.86Å; T201-D272 WeakPolarHBondContact CB-OD2 3.24Å; T201-D272 WeakPolarHBondContact CG2-OD2 3.35Å; T201-D272 VanDerWaalsContact OG1-CB 3.28Å; T201-D272 WeakPolarHBondContact OG1-CB 3.03Å; T201-D272 PolarHBondContact OG1-OD2 3.14Å
202I95.5Very high94.1Very high4 Ų451.1 Ų51.12%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-119.1112.2171.1-55.7-176.7000107.2L204 V247 R248 I266 G268I202-L204 PolarHBondContact O-N 3.15Å; I202-V247 HydrophobicContact CG2-CB 4.49Å; I202-R248 VanDerWaalsContact CD1-CA 3.47Å; I202-R248 HydrophobicContact CD1-CB 3.43Å; I202-R248 VanDerWaalsContact CD1-CB 3.43Å; I202-R248 HydrophobicContact CD1-CG 3.98Å; I202-I266 PolarHBondContact N-O 2.75Å; I202-G268 PolarHBondContact O-N 2.98Å
203P94.7Very high94.2Very high5 Ų550 Ų503%0.03227%0.274CS..EExtended strand (participates in β ladder)trans-51.5136.6179-31.437.7000112.4A205 L206 K207 K269 C274P203-A205 PolarHBondContact O-N 3.39Å; P203-L206 HydrophobicContact CB-CB 4.48Å; P203-L206 HydrophobicContact CB-CD1 4.17Å; P203-L206 HydrophobicContact CB-CG 4.27Å; P203-L206 HydrophobicContact CG-CD1 4.13Å; P203-L206 PolarHBondContact O-N 2.98Å; P203-K207 PolarHBondContact O-N 2.89Å; P203-K269 WeakPolarHBondContact CA-O 3.2Å; P203-C274 HydrophobicContact CG-CB 3.64Å
204L92.6Very high94.3Very high106 Ų10648.9 Ų48.956%0.55527%0.268SS*.G310 helixtrans-54.9-38.8-176.8-177.260.6000112.7I202 L206 K207 G268I202-L204 PolarHBondContact O-N 3.15Å; L204-L206 PolarHBondContact O-N 2.98Å; L204-K207 HydrophobicContact CD1-CD 4.32Å; L204-K207 WeakPolarHBondContact O-CB 3.25Å; L204-K207 PolarHBondContact O-N 2.54Å; L204-G268 PolarHBondContact N-O 3.4Å
205A91.2Very high94.6Very high70 Ų7042.5 Ų42.558%0.57923%0.234SC*.G310 helixtrans-61.9-24.517700000114P203 N270P203-A205 PolarHBondContact O-N 3.39Å; A205-N270 WeakPolarHBondContact CB-OD1 3.34Å; A205-N270 PolarHBondContact N-OD1 2.94Å
206L93Very high94.8Very high33 Ų3339.3 Ų39.317%0.17322%0.217CC..G310 helixtrans-102-6.9-176.6-60178.6000113.3P203 L204 E208 L209 V247 C274 P277P203-L206 HydrophobicContact CB-CB 4.48Å; P203-L206 HydrophobicContact CB-CD1 4.17Å; P203-L206 HydrophobicContact CB-CG 4.27Å; P203-L206 HydrophobicContact CG-CD1 4.13Å; P203-L206 PolarHBondContact O-N 2.98Å; L204-L206 PolarHBondContact O-N 2.98Å; L206-E208 VanDerWaalsContact C-N 3.33Å; L206-E208 PolarHBondContact O-N 3.26Å; L206-L209 HydrophobicContact CD2-CD2 3.78Å; L206-L209 PolarHBondContact O-N 3.07Å; L206-V247 HydrophobicContact CB-CG2 4.49Å; L206-C274 HydrophobicContact CD1-CB 4.45Å; L206-C274 VanDerWaalsContact CD1-SG 3.59Å; L206-P277 HydrophobicContact CD2-CG 4.25Å
207K91.1Very high95Very high68 Ų6840 Ų4030%0.29622%0.223SC..SBendtrans-52.3-48.2-171.7180-177.7169176.30113.2P203 L204 E267P203-K207 PolarHBondContact O-N 2.89Å; L204-K207 HydrophobicContact CD1-CD 4.32Å; L204-K207 WeakPolarHBondContact O-CB 3.25Å; L204-K207 PolarHBondContact O-N 2.54Å; K207-E267 HydrophobicContact CD-CG 4.26Å; K207-E267 VanDerWaalsContact CE-OE1 3.23Å; K207-E267 WeakPolarHBondContact CE-OE1 3.29Å; K207-E267 VanDerWaalsContact NZ-CD 3.25Å; K207-E267 IonicContact NZ-OE1 3.34Å; K207-E267 PolarHBondContact NZ-OE1 3.2Å; K207-E267 IonicContact NZ-OE2 3.47Å; K207-E267 PolarHBondContact NZ-OE2 3.34Å
208E92.6Very high95.4Very high152 Ų15235 Ų3571%0.7119%0.19SC*.SBendtrans-105-2.1-178.1-57.3-59148.800112.6L206 S210L206-E208 VanDerWaalsContact C-N 3.33Å; L206-E208 PolarHBondContact O-N 3.26Å; E208-S210 PolarHBondContact O-N 3.01Å; E208-S210 VanDerWaalsContact O-N 3.17Å
209L93.4Very high95.6Very high46 Ų4631 Ų3124%0.24117%0.172CC..  trans-75.7109.2-177.8-175.264.3000109.1L206 T211L206-L209 HydrophobicContact CD2-CD2 3.78Å; L206-L209 PolarHBondContact O-N 3.07Å; L209-T211 HydrophobicContact CD2-CG2 4.07Å; L209-T211 HydrophobicContact CG-CG2 4Å
210S95.4Very high95.9Very high37 Ų3727 Ų2726%0.25915%0.151SC..EExtended strand (participates in β ladder)trans-83.3128.7166.9-177.30000109.4E208 L245 G282 P283E208-S210 PolarHBondContact O-N 3.01Å; E208-S210 VanDerWaalsContact O-N 3.17Å; S210-L245 WeakPolarHBondContact CA-O 3.37Å; S210-L245 PolarHBondContact OG-N 3.36Å; S210-G282 CarbonylContact O-C 3.06Å; S210-G282 WeakPolarHBondContact O-CA 3.43Å; S210-P283 VanDerWaalsContact O-CD 3.22Å; S210-P283 WeakPolarHBondContact O-CD 3.43Å
211T96.1Very high96Very high0 Ų031.1 Ų31.10%017%0.167CC..EExtended strand (participates in β ladder)trans-123.7169.9173.452.30000110.2L209 Y213 S244 L245 P277 V279L209-T211 HydrophobicContact CD2-CG2 4.07Å; L209-T211 HydrophobicContact CG-CG2 4Å; T211-Y213 PolarHBondContact OG1-OH 3.21Å; T211-S244 CarbonylContact O-C 3.55Å; T211-S244 VanDerWaalsContact O-CA 3.25Å; T211-S244 WeakPolarHBondContact O-CA 3.41Å; T211-L245 PolarHBondContact N-O 3.26Å; T211-L245 PolarHBondContact O-N 2.94Å; T211-P277 HydrophobicContact CG2-CB 3.73Å; T211-P277 HydrophobicContact CG2-CG 3.6Å; T211-P277 WeakPolarHBondContact OG1-CB 3.32Å; T211-V279 HydrophobicContact CG2-CG2 4.34Å
212S98Very high96.2Very high0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-89.7149.4-179.5-66.40000112P171 F243 P283 I284P171-S212 WeakPolarHBondContact CB-O 3.18Å; S212-F243 VanDerWaalsContact CA-O 3.29Å; S212-F243 WeakPolarHBondContact CA-O 3.41Å; S212-P283 VanDerWaalsContact OG-CA 3.24Å; S212-P283 WeakPolarHBondContact OG-CA 3.48Å; S212-P283 WeakPolarHBondContact OG-CB 3.35Å; S212-I284 PolarHBondContact OG-N 3.33Å
213Y98.6Very high96.3Very high0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-137.3149.4173.2-61.4-87.5000108.8D172 L174 T211 S242 F243 L245 L250 F276D172-Y213 HydrophobicContact CB-CD1 3.69Å; D172-Y213 HydrophobicContact CB-CE1 3.91Å; D172-Y213 WeakPolarHBondContact O-CA 3.42Å; L174-Y213 HydrophobicContact CD1-CD1 4.41Å; L174-Y213 HydrophobicContact CD1-CG 4.36Å; L174-Y213 HydrophobicContact CD2-CD1 3.9Å; L174-Y213 HydrophobicContact CG-CD1 4.19Å; T211-Y213 PolarHBondContact OG1-OH 3.21Å; Y213-S242 PolarHBondContact O-N 3.41Å; Y213-F243 PolarHBondContact N-O 3.09Å; Y213-F243 PolarHBondContact O-N 3.23Å; Y213-L245 HydrophobicContact CD2-CB 4.01Å; Y213-L245 HydrophobicContact CD2-CD1 4.41Å; Y213-L245 HydrophobicContact CD2-CG 4.48Å; Y213-L245 HydrophobicContact CE2-CB 3.93Å; Y213-L250 HydrophobicContact CD1-CD2 4.29Å; Y213-L250 HydrophobicContact CE1-CD2 3.74Å; Y213-F276 HydrophobicContact CE1-CB 4.17Å; Y213-F276 AromaticContact CE1-CD1 3.78Å; Y213-F276 HydrophobicContact CE1-CD1 3.78Å; Y213-F276 HydrophobicContact CE1-CE1 4.39Å; Y213-F276 HydrophobicContact CE1-CG 4.07Å
214V98.6Very high96.5Very high0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-131.6133.817766.80000110.3L170 P171 D172 V173 L174 I219 F240L170-V214 HydrophobicContact CB-CG1 4.48Å; P171-V214 HydrophobicContact CG-CB 3.98Å; P171-V214 HydrophobicContact CG-CG1 3.96Å; D172-V214 PolarHBondContact O-N 3.23Å; V173-V214 CarbonylContact C-O 3.46Å; V173-V214 WeakPolarHBondContact CA-O 3.37Å; V173-V214 HydrophobicContact CB-CG1 4.2Å; V173-V214 HydrophobicContact CG1-CG1 4.25Å; V173-V214 HydrophobicContact CG2-CG1 3.74Å; L174-V214 PolarHBondContact N-O 3.03Å; V214-I219 HydrophobicContact CG1-CD1 3.67Å; V214-I219 HydrophobicContact CG1-CG1 4.1Å; V214-I219 HydrophobicContact CG2-CD1 4.19Å; V214-I219 HydrophobicContact CG2-CG1 3.68Å; V214-F240 HydrophobicContact CG2-CD1 3.82Å; V214-F240 HydrophobicContact CG2-CE1 3.79Å
215Y98.8Very high96.8Very high9 Ų927.5 Ų27.54%0.03515%0.15CC..EExtended strand (participates in β ladder)trans-81.2136.5174.2-177-136.6000110.4L174 E176 A217 D218 I219 S242 T298 C303 N306 L307L174-Y215 WeakPolarHBondContact O-CA 3.17Å; L174-Y215 VanDerWaalsContact O-CD2 3.28Å; L174-Y215 WeakPolarHBondContact O-CD2 3.43Å; E176-Y215 PolarHBondContact OE1-OH 2.87Å; Y215-A217 HydrophobicContact CD1-CB 3.71Å; Y215-A217 HydrophobicContact CE1-CB 3.46Å; Y215-A217 VanDerWaalsContact CE1-CB 3.46Å; Y215-A217 PolarHBondContact O-N 3.45Å; Y215-D218 WeakPolarHBondContact O-CA 3.34Å; Y215-D218 WeakPolarHBondContact O-CB 3.42Å; Y215-D218 PolarHBondContact O-N 3.22Å; Y215-I219 PolarHBondContact O-N 3.11Å; Y215-S242 PolarHBondContact N-OG 2.82Å; Y215-T298 HydrophobicContact CD1-CG2 3.81Å; Y215-T298 WeakPolarHBondContact CD1-OG1 3.43Å; Y215-T298 HydrophobicContact CE1-CG2 4.06Å; Y215-C303 HydrophobicContact CD1-CB 4.48Å; Y215-C303 HydrophobicContact CD2-CB 4.36Å; Y215-C303 WeakPolarHBondContact CD2-SG 3.35Å; Y215-C303 HydrophobicContact CG-CB 4.19Å; Y215-N306 WeakPolarHBondContact OH-CB 3.47Å; Y215-N306 PolarHBondContact OH-ND2 3.29Å; Y215-N306 VanDerWaalsContact OH-ND2 3.12Å; Y215-L307 HydrophobicContact CE2-CD2 4.24Å; Y215-L307 HydrophobicContact CE2-CG 4.41Å
216V98.6Very high97.1Very high1 Ų124.1 Ų24.11%0.00612%0.123CC..Hα-helixtrans-57.9-35.3-174.573.70000113.7I12 V173 L174 A175 E176 D218 I219 A220I12-V216 HydrophobicContact CB-CG2 4.45Å; I12-V216 HydrophobicContact CG1-CG2 4.5Å; V173-V216 HydrophobicContact CG1-CB 4.06Å; V173-V216 HydrophobicContact CG1-CG2 4.34Å; L174-V216 PolarHBondContact O-N 3.41Å; A175-V216 HydrophobicContact CB-CB 3.59Å; A175-V216 HydrophobicContact CB-CG1 3.79Å; A175-V216 HydrophobicContact CB-CG2 4.06Å; E176-V216 VanDerWaalsContact OE2-CG1 3.23Å; E176-V216 WeakPolarHBondContact OE2-CG1 3.39Å; V216-D218 VanDerWaalsContact C-N 3.28Å; V216-D218 PolarHBondContact O-N 3.47Å; V216-I219 WeakPolarHBondContact O-CB 3.33Å; V216-I219 PolarHBondContact O-N 3.3Å; V216-A220 PolarHBondContact O-N 2.89Å
217A98.5Very high97.3Very high19 Ų1923.1 Ų23.116%0.15712%0.117CC..Hα-helixtrans-66.1-31.2176.200000112.4Y215 A220 R221Y215-A217 HydrophobicContact CD1-CB 3.71Å; Y215-A217 HydrophobicContact CE1-CB 3.46Å; Y215-A217 VanDerWaalsContact CE1-CB 3.46Å; Y215-A217 PolarHBondContact O-N 3.45Å; A217-A220 PolarHBondContact O-N 2.98Å; A217-R221 VanDerWaalsContact O-CG 3.29Å; A217-R221 WeakPolarHBondContact O-CG 3.4Å; A217-R221 PolarHBondContact O-N 3.33Å
218D98.7Very high97.6Very high0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-69.7-37.1175.3-68.1-25000110.9Y215 V216 A220 R221 F222 F240 S242 L297 T298Y215-D218 WeakPolarHBondContact O-CA 3.34Å; Y215-D218 WeakPolarHBondContact O-CB 3.42Å; Y215-D218 PolarHBondContact O-N 3.22Å; V216-D218 VanDerWaalsContact C-N 3.28Å; V216-D218 PolarHBondContact O-N 3.47Å; D218-A220 VanDerWaalsContact C-N 3.34Å; D218-R221 PolarHBondContact O-N 2.8Å; D218-R221 IonicContact OD1-CZ 3.29Å; D218-R221 IonicContact OD1-NH1 2.82Å; D218-R221 PolarHBondContact OD1-NH1 3.09Å; D218-F222 WeakPolarHBondContact O-CB 3.41Å; D218-F222 PolarHBondContact O-N 3.3Å; D218-F240 HydrophobicContact CB-CE1 4.1Å; D218-F240 HydrophobicContact CB-CZ 4Å; D218-F240 WeakPolarHBondContact O-CE1 3.21Å; D218-F240 WeakPolarHBondContact O-CZ 3.39Å; D218-S242 WeakPolarHBondContact OD2-CB 3.38Å; D218-S242 PolarHBondContact OD2-OG 3.16Å; D218-L297 HydrophobicContact CB-CD2 4.02Å; D218-T298 PolarHBondContact OD1-N 2.68Å; D218-T298 PolarHBondContact OD1-OG1 2.86Å; D218-T298 PolarHBondContact OD2-N 3.27Å; D218-T298 VanDerWaalsContact OD2-N 3.15Å
219I98.7Very high97.8Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-61.3-46.1172.7-61.5162.9000110I12 L170 V173 V214 Y215 V216 R221 F222 I223 F240I12-I219 HydrophobicContact CG2-CB 4.46Å; I12-I219 HydrophobicContact CG2-CD1 4.25Å; I12-I219 HydrophobicContact CG2-CG2 3.77Å; L170-I219 HydrophobicContact CD1-CD1 3.63Å; L170-I219 HydrophobicContact CD1-CG1 4.12Å; L170-I219 HydrophobicContact CD1-CG2 4.16Å; L170-I219 HydrophobicContact CD2-CD1 4.32Å; L170-I219 HydrophobicContact CD2-CG1 4.06Å; V173-I219 HydrophobicContact CB-CD1 4.41Å; V173-I219 HydrophobicContact CG1-CD1 3.62Å; V173-I219 HydrophobicContact CG2-CD1 3.86Å; V214-I219 HydrophobicContact CG1-CD1 3.67Å; V214-I219 HydrophobicContact CG1-CG1 4.1Å; V214-I219 HydrophobicContact CG2-CD1 4.19Å; V214-I219 HydrophobicContact CG2-CG1 3.68Å; Y215-I219 PolarHBondContact O-N 3.11Å; V216-I219 WeakPolarHBondContact O-CB 3.33Å; V216-I219 PolarHBondContact O-N 3.3Å; I219-R221 PolarHBondContact O-N 3.27Å; I219-F222 PolarHBondContact O-N 3.19Å; I219-I223 HydrophobicContact CG2-CD1 3.82Å; I219-I223 HydrophobicContact CG2-CG1 4.44Å; I219-I223 WeakPolarHBondContact O-CG1 3.45Å; I219-I223 PolarHBondContact O-N 3.19Å; I219-F240 HydrophobicContact CG1-CD1 4.27Å; I219-F240 HydrophobicContact CG1-CE1 4.2Å
220A98.6Very high98Very high2 Ų221 Ų212%0.01712%0.115CC..Hα-helixtrans-59.4-46.1177.800000111.7V16 L19 V216 A217 D218 F222 I223 L224V16-A220 HydrophobicContact CG2-CB 4.16Å; L19-A220 HydrophobicContact CB-CB 4.16Å; L19-A220 HydrophobicContact CD2-CB 3.62Å; L19-A220 WeakPolarHBondContact CD2-O 3.35Å; V216-A220 PolarHBondContact O-N 2.89Å; A217-A220 PolarHBondContact O-N 2.98Å; D218-A220 VanDerWaalsContact C-N 3.34Å; A220-F222 VanDerWaalsContact C-N 3.33Å; A220-F222 PolarHBondContact O-N 3.06Å; A220-I223 PolarHBondContact O-N 3.07Å; A220-L224 WeakPolarHBondContact O-CB 3.36Å; A220-L224 PolarHBondContact O-N 3.33Å
221R98.6Very high98Very high87 Ų8723.5 Ų23.533%0.32813%0.132SC..Hα-helixtrans-61.8-39.5175.8-69.7169.7-168134.61.2112.2L19 A217 D218 I219 L224 A225 I295 T298L19-R221 HydrophobicContact CD2-CG 4.25Å; A217-R221 VanDerWaalsContact O-CG 3.29Å; A217-R221 WeakPolarHBondContact O-CG 3.4Å; A217-R221 PolarHBondContact O-N 3.33Å; D218-R221 PolarHBondContact O-N 2.8Å; D218-R221 IonicContact OD1-CZ 3.29Å; D218-R221 IonicContact OD1-NH1 2.82Å; D218-R221 PolarHBondContact OD1-NH1 3.09Å; I219-R221 PolarHBondContact O-N 3.27Å; R221-L224 PolarHBondContact O-N 2.93Å; R221-A225 WeakPolarHBondContact O-CB 3.28Å; R221-A225 PolarHBondContact O-N 3.47Å; R221-I295 HydrophobicContact CB-CG2 3.96Å; R221-T298 PolarHBondContact NH1-OG1 3.49Å
222F98.6Very high98Very high0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-65.5-47.3177.5-175.4-160.1000111.7L168 D218 I219 A220 L224 A225 I226 F238 F240 V289 Y293 I295L168-F222 HydrophobicContact CD1-CD1 4.26Å; L168-F222 HydrophobicContact CD1-CE1 4.37Å; L168-F222 HydrophobicContact CD2-CD1 4.23Å; L168-F222 HydrophobicContact CD2-CE1 3.52Å; L168-F222 HydrophobicContact CD2-CZ 4.03Å; D218-F222 WeakPolarHBondContact O-CB 3.41Å; D218-F222 PolarHBondContact O-N 3.3Å; I219-F222 PolarHBondContact O-N 3.19Å; A220-F222 VanDerWaalsContact C-N 3.33Å; A220-F222 PolarHBondContact O-N 3.06Å; F222-L224 VanDerWaalsContact C-N 3.31Å; F222-L224 PolarHBondContact O-N 3.35Å; F222-A225 WeakPolarHBondContact O-CB 3.5Å; F222-A225 PolarHBondContact O-N 3.1Å; F222-A225 VanDerWaalsContact O-N 3.08Å; F222-I226 HydrophobicContact CD1-CD1 4.37Å; F222-I226 HydrophobicContact CD2-CD1 3.79Å; F222-I226 HydrophobicContact CD2-CG1 3.91Å; F222-I226 HydrophobicContact CE1-CD1 4.18Å; F222-I226 HydrophobicContact CE2-CD1 3.52Å; F222-I226 HydrophobicContact CE2-CG1 3.6Å; F222-I226 HydrophobicContact CG-CD1 4.2Å; F222-I226 HydrophobicContact CZ-CD1 3.73Å; F222-I226 HydrophobicContact CZ-CG1 4.24Å; F222-I226 WeakPolarHBondContact O-CG1 3.34Å; F222-I226 PolarHBondContact O-N 3.06Å; F222-F238 HydrophobicContact CE1-CB 4.13Å; F222-F238 HydrophobicContact CE1-CD2 4.42Å; F222-F238 HydrophobicContact CE1-CG 4.39Å; F222-F238 HydrophobicContact CZ-CB 4.16Å; F222-F238 AromaticContact CZ-CD2 3.74Å; F222-F238 HydrophobicContact CZ-CD2 3.74Å; F222-F238 HydrophobicContact CZ-CE2 4.25Å; F222-F238 AromaticContact CZ-CG 3.92Å; F222-F238 HydrophobicContact CZ-CG 3.92Å; F222-F240 HydrophobicContact CB-CD1 4.37Å; F222-F240 HydrophobicContact CB-CE1 3.85Å; F222-F240 HydrophobicContact CB-CE2 4.22Å; F222-F240 HydrophobicContact CB-CZ 3.75Å; F222-F240 HydrophobicContact CD1-CB 4.04Å; F222-F240 AromaticContact CD1-CD1 3.69Å; F222-F240 HydrophobicContact CD1-CD1 3.69Å; F222-F240 AromaticContact CD1-CD2 3.71Å; F222-F240 HydrophobicContact CD1-CD2 3.71Å; F222-F240 HydrophobicContact CD1-CE1 4.02Å; F222-F240 HydrophobicContact CD1-CE2 4.03Å; F222-F240 AromaticContact CD1-CG 3.52Å; F222-F240 HydrophobicContact CD1-CG 3.52Å; F222-F240 HydrophobicContact CD1-CZ 4.17Å; F222-F240 HydrophobicContact CE1-CB 3.99Å; F222-F240 HydrophobicContact CE1-CD1 4.48Å; F222-F240 HydrophobicContact CE1-CD2 4.06Å; F222-F240 AromaticContact CE1-CG 3.92Å; F222-F240 HydrophobicContact CE1-CG 3.92Å; F222-F240 HydrophobicContact CG-CD1 4.46Å; F222-F240 HydrophobicContact CG-CD2 4.34Å; F222-F240 HydrophobicContact CG-CE1 4.36Å; F222-F240 HydrophobicContact CG-CE2 4.22Å; F222-F240 HydrophobicContact CG-CG 4.45Å; F222-F240 HydrophobicContact CG-CZ 4.22Å; F222-V289 HydrophobicContact CD1-CG2 4.35Å; F222-V289 HydrophobicContact CD2-CG2 4.13Å; F222-V289 HydrophobicContact CE1-CG2 3.72Å; F222-V289 HydrophobicContact CE2-CG2 3.5Å; F222-V289 VanDerWaalsContact CE2-CG2 3.5Å; F222-V289 HydrophobicContact CZ-CB 4.16Å; F222-V289 HydrophobicContact CZ-CG2 3.26Å; F222-Y293 HydrophobicContact CD2-CD2 4.45Å; F222-Y293 AromaticContact CE2-CD2 3.62Å; F222-Y293 HydrophobicContact CE2-CD2 3.62Å; F222-Y293 AromaticContact CE2-CE2 3.87Å; F222-Y293 HydrophobicContact CE2-CE2 3.87Å; F222-Y293 HydrophobicContact CE2-CG 4.15Å; F222-Y293 HydrophobicContact CZ-CD2 4.46Å; F222-I295 HydrophobicContact CB-CD1 3.75Å; F222-I295 HydrophobicContact CD1-CD1 4.47Å; F222-I295 HydrophobicContact CD2-CD1 3.29Å; F222-I295 HydrophobicContact CD2-CG1 4.37Å; F222-I295 HydrophobicContact CE2-CD1 4Å; F222-I295 HydrophobicContact CG-CD1 3.59Å
223I98.6Very high98Very high0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-61.1-41.7177-72.2170.8000110.9V16 I75 F77 I102 L168 I219 A220 A225 I226 L227V16-I223 HydrophobicContact CG1-CB 4.42Å; V16-I223 HydrophobicContact CG1-CD1 4.3Å; V16-I223 HydrophobicContact CG1-CG2 3.85Å; V16-I223 HydrophobicContact CG2-CD1 3.67Å; I75-I223 HydrophobicContact CD1-CG2 3.68Å; F77-I223 HydrophobicContact CE1-CD1 4.18Å; F77-I223 HydrophobicContact CZ-CD1 4.23Å; I102-I223 HydrophobicContact CD1-CD1 3.91Å; L168-I223 HydrophobicContact CD1-CD1 4.3Å; L168-I223 HydrophobicContact CD1-CG1 3.87Å; I219-I223 HydrophobicContact CG2-CD1 3.82Å; I219-I223 HydrophobicContact CG2-CG1 4.44Å; I219-I223 WeakPolarHBondContact O-CG1 3.45Å; I219-I223 PolarHBondContact O-N 3.19Å; A220-I223 PolarHBondContact O-N 3.07Å; I223-A225 VanDerWaalsContact C-N 3.34Å; I223-A225 PolarHBondContact O-N 2.69Å; I223-I226 WeakPolarHBondContact O-CB 3.37Å; I223-I226 PolarHBondContact O-N 2.89Å; I223-L227 HydrophobicContact CG2-CD1 4.03Å; I223-L227 HydrophobicContact CG2-CG 4.47Å; I223-L227 VanDerWaalsContact O-CG 3.3Å; I223-L227 WeakPolarHBondContact O-CG 3.37Å; I223-L227 PolarHBondContact O-N 3.44Å
224L98.4Very high97.9Very high26 Ų2632.3 Ų32.314%0.13617%0.169CC..Hα-helixtrans-58.6-46.6172.5176.162.1000111L19 L20 N23 F25 A220 R221 F222 I226 L227 M228L19-L224 HydrophobicContact CD2-CB 4.2Å; L19-L224 HydrophobicContact CD2-CD2 4.08Å; L19-L224 HydrophobicContact CG-CD2 4.18Å; L20-L224 HydrophobicContact CD2-CB 4.2Å; L20-L224 HydrophobicContact CD2-CD1 3.83Å; N23-L224 HydrophobicContact CB-CD1 4.18Å; F25-L224 HydrophobicContact CE2-CD1 3.62Å; F25-L224 HydrophobicContact CZ-CD1 3.95Å; A220-L224 WeakPolarHBondContact O-CB 3.36Å; A220-L224 PolarHBondContact O-N 3.33Å; R221-L224 PolarHBondContact O-N 2.93Å; F222-L224 VanDerWaalsContact C-N 3.31Å; F222-L224 PolarHBondContact O-N 3.35Å; L224-I226 VanDerWaalsContact C-N 3.32Å; L224-I226 PolarHBondContact O-N 3.13Å; L224-L227 PolarHBondContact O-N 2.96Å; L224-L227 VanDerWaalsContact O-N 3.15Å; L224-M228 HydrophobicContact CD1-CG 3.99Å; L224-M228 HydrophobicContact CD1-SD 4.4Å; L224-M228 HydrophobicContact CG-CG 4.36Å; L224-M228 VanDerWaalsContact O-CG 3.24Å; L224-M228 WeakPolarHBondContact O-CG 3.47Å; L224-M228 PolarHBondContact O-N 3.31Å
225A98.2Very high97.9Very high27 Ų2734.6 Ų34.622%0.22318%0.182CC..Hα-helixtrans-61-39.8178.100000112.5R221 F222 I223 M228 D229 Y293R221-A225 WeakPolarHBondContact O-CB 3.28Å; R221-A225 PolarHBondContact O-N 3.47Å; F222-A225 WeakPolarHBondContact O-CB 3.5Å; F222-A225 PolarHBondContact O-N 3.1Å; F222-A225 VanDerWaalsContact O-N 3.08Å; I223-A225 VanDerWaalsContact C-N 3.34Å; I223-A225 PolarHBondContact O-N 2.69Å; A225-M228 PolarHBondContact O-N 3.18Å; A225-D229 PolarHBondContact O-N 3.37Å; A225-Y293 HydrophobicContact CB-CD1 3.87Å; A225-Y293 HydrophobicContact CB-CE1 4.29Å
226I98.3Very high97.9Very high0 Ų036.3 Ų36.30%019%0.19CC..Hα-helixtrans-60.1-48.2172.4-71.5160.9000110.6I100 T166 L168 F222 I223 L224 M228 D229 P230 S233 Y293I100-I226 HydrophobicContact CD1-CG2 3.61Å; I100-I226 HydrophobicContact CG1-CG2 4.4Å; T166-I226 HydrophobicContact CG2-CD1 3.97Å; L168-I226 HydrophobicContact CD1-CD1 4.3Å; L168-I226 HydrophobicContact CD2-CD1 4.07Å; F222-I226 HydrophobicContact CD1-CD1 4.37Å; F222-I226 HydrophobicContact CD2-CD1 3.79Å; F222-I226 HydrophobicContact CD2-CG1 3.91Å; F222-I226 HydrophobicContact CE1-CD1 4.18Å; F222-I226 HydrophobicContact CE2-CD1 3.52Å; F222-I226 HydrophobicContact CE2-CG1 3.6Å; F222-I226 HydrophobicContact CG-CD1 4.2Å; F222-I226 HydrophobicContact CZ-CD1 3.73Å; F222-I226 HydrophobicContact CZ-CG1 4.24Å; F222-I226 WeakPolarHBondContact O-CG1 3.34Å; F222-I226 PolarHBondContact O-N 3.06Å; I223-I226 WeakPolarHBondContact O-CB 3.37Å; I223-I226 PolarHBondContact O-N 2.89Å; L224-I226 VanDerWaalsContact C-N 3.32Å; L224-I226 PolarHBondContact O-N 3.13Å; I226-M228 VanDerWaalsContact C-N 3.27Å; I226-M228 PolarHBondContact O-N 2.68Å; I226-D229 CarbonylContact O-C 3.52Å; I226-D229 PolarHBondContact O-N 3.07Å; I226-P230 WeakPolarHBondContact O-CA 3.18Å; I226-P230 WeakPolarHBondContact O-CD 3.2Å; I226-S233 WeakPolarHBondContact CG2-OG 3.49Å; I226-Y293 HydrophobicContact CG1-CE2 4.33Å
227L98.2Very high97.9Very high11 Ų1136.9 Ų36.96%0.05819%0.193CC..Hα-helixtrans-66.1-30.7-178.8-68.6168.8000112.8V3 L20 F25 A73 I75 I100 I223 L224V3-L227 HydrophobicContact CG2-CD1 4.07Å; V3-L227 HydrophobicContact CG2-CD2 3.95Å; L20-L227 HydrophobicContact CD1-CD1 3.69Å; L20-L227 HydrophobicContact CD2-CD1 3.61Å; L20-L227 HydrophobicContact CG-CD1 4.31Å; F25-L227 HydrophobicContact CD1-CD1 4.42Å; F25-L227 HydrophobicContact CE1-CB 3.92Å; F25-L227 HydrophobicContact CE1-CD1 3.88Å; F25-L227 HydrophobicContact CE1-CG 4.43Å; F25-L227 HydrophobicContact CZ-CB 4.03Å; F25-L227 HydrophobicContact CZ-CD1 4.34Å; A73-L227 HydrophobicContact CB-CD2 3.55Å; I75-L227 HydrophobicContact CD1-CD1 4.31Å; I100-L227 HydrophobicContact CD1-CD2 4.08Å; I100-L227 HydrophobicContact CD1-CG 4.47Å; I223-L227 HydrophobicContact CG2-CD1 4.03Å; I223-L227 HydrophobicContact CG2-CG 4.47Å; I223-L227 VanDerWaalsContact O-CG 3.3Å; I223-L227 WeakPolarHBondContact O-CG 3.37Å; I223-L227 PolarHBondContact O-N 3.44Å; L224-L227 PolarHBondContact O-N 2.96Å; L224-L227 VanDerWaalsContact O-N 3.15Å
228M97.2Very high97.9Very high119 Ų11936 Ų3659%0.58619%0.186SC*.Hα-helixtrans-78.5-30.3177.3-66.1-58-61.600113M1 F25 L224 A225 I226M1-M228 HydrophobicContact CE-CE 4.36Å; M1-M228 HydrophobicContact CE-SD 3.45Å; M1-M228 WeakPolarHBondContact CE-SD 3.23Å; F25-M228 HydrophobicContact CE2-SD 4.39Å; F25-M228 HydrophobicContact CZ-SD 4.08Å; L224-M228 HydrophobicContact CD1-CG 3.99Å; L224-M228 HydrophobicContact CD1-SD 4.4Å; L224-M228 HydrophobicContact CG-CG 4.36Å; L224-M228 VanDerWaalsContact O-CG 3.24Å; L224-M228 WeakPolarHBondContact O-CG 3.47Å; L224-M228 PolarHBondContact O-N 3.31Å; A225-M228 PolarHBondContact O-N 3.18Å; I226-M228 VanDerWaalsContact C-N 3.27Å; I226-M228 PolarHBondContact O-N 2.68Å
229D96.7Very high97.9Very high48 Ų4836 Ų3626%0.25719%0.186SC..  trans-140.177.1173.8-172.71.9000111A225 I226 S231 R232 Y293A225-D229 PolarHBondContact O-N 3.37Å; I226-D229 CarbonylContact O-C 3.52Å; I226-D229 PolarHBondContact O-N 3.07Å; D229-S231 PolarHBondContact O-N 3.4Å; D229-S231 PolarHBondContact OD1-N 3.31Å; D229-S231 PolarHBondContact OD1-OG 3.03Å; D229-R232 WeakPolarHBondContact OD2-CD 3.46Å; D229-R232 IonicContact OD2-CZ 3.58Å; D229-R232 IonicContact OD2-NE 2.7Å; D229-R232 PolarHBondContact OD2-NE 3.44Å; D229-R232 IonicContact OD2-NH2 3.7Å; D229-Y293 PolarHBondContact O-OH 2.94Å
230P96Very high97.9Very high56 Ų5636 Ų3636%0.36419%0.186SC..G310 helixtrans-70.1-18-176.126-34.4000112.3I226 R232 S233 I234I226-P230 WeakPolarHBondContact O-CA 3.18Å; I226-P230 WeakPolarHBondContact O-CD 3.2Å; P230-R232 PolarHBondContact O-N 3.4Å; P230-R232 VanDerWaalsContact O-N 3.12Å; P230-S233 PolarHBondContact O-N 3.29Å; P230-S233 PolarHBondContact O-OG 2.92Å; P230-S233 VanDerWaalsContact O-OG 3.14Å; P230-I234 VanDerWaalsContact O-CG1 3.32Å; P230-I234 WeakPolarHBondContact O-CG1 3.47Å; P230-I234 PolarHBondContact O-N 3.25Å
231S96.3Very high97.9Very high88 Ų8836.1 Ų36.162%0.61519%0.187SC*.G310 helixtrans-59.2-28.3-17775.40000113D229D229-S231 PolarHBondContact O-N 3.4Å; D229-S231 PolarHBondContact OD1-N 3.31Å; D229-S231 PolarHBondContact OD1-OG 3.03Å
232R96.6Very high97.8Very high131 Ų13132.9 Ų32.949%0.49418%0.178SC..G310 helixtrans-85.5-11.6180-55.4-177.8-171.5-141.5-5.1113.8D229 P230 R292 Y293D229-R232 WeakPolarHBondContact OD2-CD 3.46Å; D229-R232 IonicContact OD2-CZ 3.58Å; D229-R232 IonicContact OD2-NE 2.7Å; D229-R232 PolarHBondContact OD2-NE 3.44Å; D229-R232 IonicContact OD2-NH2 3.7Å; P230-R232 PolarHBondContact O-N 3.4Å; P230-R232 VanDerWaalsContact O-N 3.12Å; R232-R292 VanDerWaalsContact CD-O 3.29Å; R232-R292 WeakPolarHBondContact CD-O 3.4Å; R232-R292 PolarHBondContact NH1-O 3.32Å; R232-R292 WeakPolarHBondContact O-CD 3.23Å; R232-Y293 HydrophobicContact CB-CE1 4.31Å; R232-Y293 HydrophobicContact CB-CE2 4Å; R232-Y293 WeakPolarHBondContact CB-OH 3.49Å
233S97.3Very high97.8Very high0 Ų033.7 Ų33.70%018%0.181CC..THydrogen-bonded Turntrans-112.2-9.2-178.371.30000114.2T166 I226 P230 D235 Q236 Y293T166-S233 WeakPolarHBondContact OG1-CB 3.36Å; T166-S233 PolarHBondContact OG1-O 2.75Å; T166-S233 VanDerWaalsContact OG1-O 3.12Å; T166-S233 PolarHBondContact OG1-OG 3.37Å; I226-S233 WeakPolarHBondContact CG2-OG 3.49Å; P230-S233 PolarHBondContact O-N 3.29Å; P230-S233 PolarHBondContact O-OG 2.92Å; P230-S233 VanDerWaalsContact O-OG 3.14Å; S233-D235 PolarHBondContact O-N 3.04Å; S233-Q236 WeakPolarHBondContact O-CB 3.5Å; S233-Q236 PolarHBondContact O-N 3.41Å; S233-Q236 VanDerWaalsContact O-N 3.08Å; S233-Y293 WeakPolarHBondContact CB-OH 3.09Å; S233-Y293 PolarHBondContact N-OH 2.99Å
234I97.6Very high97.7Very high55 Ų5536.2 Ų36.228%0.28220%0.199SC..THydrogen-bonded Turntrans-51.9124.9177.3-63.1-48.3000111.2H98 P230 Q236H98-I234 WeakPolarHBondContact ND1-CD1 3.34Å; P230-I234 VanDerWaalsContact O-CG1 3.32Å; P230-I234 WeakPolarHBondContact O-CG1 3.47Å; P230-I234 PolarHBondContact O-N 3.25Å; I234-Q236 WeakPolarHBondContact O-CG 3.28Å; I234-Q236 PolarHBondContact O-N 3.2Å; I234-Q236 PolarHBondContact O-NE2 3.45Å
235D98Very high97.6Very high48 Ų4836 Ų3626%0.25720%0.197SC..THydrogen-bonded Turntrans55.534.7176.6-53.9-31.1000111.9R158 S164 Y165 S233R158-D235 WeakPolarHBondContact CD-OD1 3.33Å; R158-D235 IonicContact CZ-OD1 3.73Å; R158-D235 IonicContact CZ-OD2 2.68Å; R158-D235 VanDerWaalsContact CZ-OD2 3.29Å; R158-D235 IonicContact NE-OD1 3.15Å; R158-D235 PolarHBondContact NE-OD1 3.48Å; R158-D235 IonicContact NE-OD2 2.98Å; R158-D235 PolarHBondContact NE-OD2 2.88Å; R158-D235 IonicContact NH2-OD1 3.8Å; R158-D235 IonicContact NH2-OD2 3.14Å; R158-D235 PolarHBondContact NH2-OD2 2.88Å; S164-D235 WeakPolarHBondContact CA-OD1 3.43Å; Y165-D235 HydrophobicContact CE1-CB 4.29Å; Y165-D235 PolarHBondContact N-OD1 3.39Å; Y165-D235 VanDerWaalsContact O-CA 3.31Å; Y165-D235 WeakPolarHBondContact O-CA 3.22Å; Y165-D235 PolarHBondContact O-N 3.05Å; S233-D235 PolarHBondContact O-N 3.04Å
236Q98.1Very high97.6Very high45 Ų4535.6 Ų35.621%0.2119%0.192CC..EExtended strand (participates in β ladder)trans-109.5145.9177.3-59.6-59.4-82.600111.8T166 I167 S233 I234 F238T166-Q236 WeakPolarHBondContact CA-O 3.45Å; I167-Q236 PolarHBondContact N-O 3.38Å; S233-Q236 WeakPolarHBondContact O-CB 3.5Å; S233-Q236 PolarHBondContact O-N 3.41Å; S233-Q236 VanDerWaalsContact O-N 3.08Å; I234-Q236 WeakPolarHBondContact O-CG 3.28Å; I234-Q236 PolarHBondContact O-N 3.2Å; I234-Q236 PolarHBondContact O-NE2 3.45Å; Q236-F238 HydrophobicContact CB-CD2 4.14Å; Q236-F238 HydrophobicContact CB-CE1 4.29Å; Q236-F238 HydrophobicContact CB-CE2 3.48Å; Q236-F238 VanDerWaalsContact CB-CE2 3.48Å; Q236-F238 HydrophobicContact CB-CZ 3.56Å; Q236-F238 HydrophobicContact CG-CE2 4.17Å; Q236-F238 HydrophobicContact CG-CZ 3.85Å
237V98.5Very high97.5Very high12 Ų1235.6 Ų35.67%0.07319%0.192CC..EExtended strand (participates in β ladder)trans-104.8136.8161-173.10000107.8E122 M155 Y165 I167 R169 R288E122-V237 HydrophobicContact CB-CB 4.47Å; E122-V237 HydrophobicContact CB-CG1 4.41Å; E122-V237 HydrophobicContact CG-CB 4.46Å; E122-V237 HydrophobicContact CG-CG1 4.22Å; M155-V237 HydrophobicContact CE-CG2 3.43Å; M155-V237 VanDerWaalsContact CE-CG2 3.43Å; Y165-V237 HydrophobicContact CE2-CG2 4.36Å; I167-V237 HydrophobicContact CB-CB 4.4Å; I167-V237 HydrophobicContact CB-CG1 4.14Å; I167-V237 HydrophobicContact CB-CG2 4.12Å; I167-V237 HydrophobicContact CD1-CG2 4.13Å; I167-V237 HydrophobicContact CG2-CG1 3.95Å; I167-V237 CarbonylContact O-C 3.19Å; I167-V237 WeakPolarHBondContact O-CA 3.39Å; R169-V237 HydrophobicContact CG-CG1 4.15Å; V237-R288 WeakPolarHBondContact O-CD 3.5Å; V237-R288 PolarHBondContact O-NH1 2.94Å
238F98.6Very high97.4Very high0 Ų038.9 Ų38.90%020%0.204CC..EExtended strand (participates in β ladder)trans-127.6127.1177.5-67.2-66.8000111.1E122 T166 I167 L168 R169 F222 Q236 R288 V289 Y293E122-F238 WeakPolarHBondContact OE1-CA 3.28Å; T166-F238 HydrophobicContact CG2-CD2 3.87Å; T166-F238 HydrophobicContact CG2-CE2 4.03Å; I167-F238 PolarHBondContact O-N 3.37Å; L168-F238 HydrophobicContact CD2-CB 4.08Å; L168-F238 HydrophobicContact CD2-CD2 4.09Å; R169-F238 PolarHBondContact N-O 2.99Å; F222-F238 HydrophobicContact CE1-CB 4.13Å; F222-F238 HydrophobicContact CE1-CD2 4.42Å; F222-F238 HydrophobicContact CE1-CG 4.39Å; F222-F238 HydrophobicContact CZ-CB 4.16Å; F222-F238 AromaticContact CZ-CD2 3.74Å; F222-F238 HydrophobicContact CZ-CD2 3.74Å; F222-F238 HydrophobicContact CZ-CE2 4.25Å; F222-F238 AromaticContact CZ-CG 3.92Å; F222-F238 HydrophobicContact CZ-CG 3.92Å; Q236-F238 HydrophobicContact CB-CD2 4.14Å; Q236-F238 HydrophobicContact CB-CE1 4.29Å; Q236-F238 HydrophobicContact CB-CE2 3.48Å; Q236-F238 VanDerWaalsContact CB-CE2 3.48Å; Q236-F238 HydrophobicContact CB-CZ 3.56Å; Q236-F238 HydrophobicContact CG-CE2 4.17Å; Q236-F238 HydrophobicContact CG-CZ 3.85Å; F238-R288 HydrophobicContact CD1-CB 4.31Å; F238-R288 HydrophobicContact CD1-CG 3.92Å; F238-R288 HydrophobicContact CE1-CG 3.81Å; F238-V289 HydrophobicContact CD1-CB 3.81Å; F238-V289 HydrophobicContact CE1-CB 4.35Å; F238-V289 HydrophobicContact CG-CB 4.35Å; F238-Y293 HydrophobicContact CZ-CE2 4.36Å
239N98.7Very high97.4Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-72.8131.8153.2-76.3-22.5000109.1Y108 L120 E122 I284 D285 V289Y108-N239 PolarHBondContact OH-ND2 3.19Å; Y108-N239 PolarHBondContact OH-OD1 2.69Å; L120-N239 PolarHBondContact O-ND2 3.35Å; E122-N239 HydrophobicContact CG-CB 4.29Å; E122-N239 PolarHBondContact OE1-N 3.19Å; N239-I284 HydrophobicContact CB-CB 4.02Å; N239-I284 HydrophobicContact CB-CD1 3.86Å; N239-I284 HydrophobicContact CB-CG1 4.2Å; N239-D285 WeakPolarHBondContact CB-O 3.09Å; N239-D285 PolarHBondContact ND2-O 3.47Å; N239-V289 WeakPolarHBondContact O-CG1 3.45Å
240F98.6Very high97.5Very high0 Ų035.6 Ų35.60%019%0.186CC..  trans-141.7110.4179.4-175.5-112.1000112.5R169 L170 P171 V214 D218 I219 F222 V289 I295 L297R169-F240 PolarHBondContact O-N 3.06Å; L170-F240 HydrophobicContact CD2-CB 4.12Å; L170-F240 HydrophobicContact CD2-CD1 4.06Å; P171-F240 WeakPolarHBondContact CD-O 3.29Å; V214-F240 HydrophobicContact CG2-CD1 3.82Å; V214-F240 HydrophobicContact CG2-CE1 3.79Å; D218-F240 HydrophobicContact CB-CE1 4.1Å; D218-F240 HydrophobicContact CB-CZ 4Å; D218-F240 WeakPolarHBondContact O-CE1 3.21Å; D218-F240 WeakPolarHBondContact O-CZ 3.39Å; I219-F240 HydrophobicContact CG1-CD1 4.27Å; I219-F240 HydrophobicContact CG1-CE1 4.2Å; F222-F240 HydrophobicContact CB-CD1 4.37Å; F222-F240 HydrophobicContact CB-CE1 3.85Å; F222-F240 HydrophobicContact CB-CE2 4.22Å; F222-F240 HydrophobicContact CB-CZ 3.75Å; F222-F240 HydrophobicContact CD1-CB 4.04Å; F222-F240 AromaticContact CD1-CD1 3.69Å; F222-F240 HydrophobicContact CD1-CD1 3.69Å; F222-F240 AromaticContact CD1-CD2 3.71Å; F222-F240 HydrophobicContact CD1-CD2 3.71Å; F222-F240 HydrophobicContact CD1-CE1 4.02Å; F222-F240 HydrophobicContact CD1-CE2 4.03Å; F222-F240 AromaticContact CD1-CG 3.52Å; F222-F240 HydrophobicContact CD1-CG 3.52Å; F222-F240 HydrophobicContact CD1-CZ 4.17Å; F222-F240 HydrophobicContact CE1-CB 3.99Å; F222-F240 HydrophobicContact CE1-CD1 4.48Å; F222-F240 HydrophobicContact CE1-CD2 4.06Å; F222-F240 AromaticContact CE1-CG 3.92Å; F222-F240 HydrophobicContact CE1-CG 3.92Å; F222-F240 HydrophobicContact CG-CD1 4.46Å; F222-F240 HydrophobicContact CG-CD2 4.34Å; F222-F240 HydrophobicContact CG-CE1 4.36Å; F222-F240 HydrophobicContact CG-CE2 4.22Å; F222-F240 HydrophobicContact CG-CG 4.45Å; F222-F240 HydrophobicContact CG-CZ 4.22Å; F240-V289 HydrophobicContact CD2-CG1 3.93Å; F240-V289 HydrophobicContact CD2-CG2 4.08Å; F240-V289 HydrophobicContact CE2-CG2 4.49Å; F240-I295 HydrophobicContact CE2-CD1 3.8Å; F240-I295 HydrophobicContact CZ-CD1 4.27Å; F240-I295 HydrophobicContact CZ-CG2 4.46Å; F240-L297 HydrophobicContact CE2-CD2 3.99Å; F240-L297 HydrophobicContact CZ-CD2 3.88Å
241A98.3Very high97.6Very high6 Ų633 Ų335%0.0517%0.169CC..  trans-130.2151.5177.300000110.7P171 I284 C286P171-A241 HydrophobicContact CG-CB 3.94Å; A241-I284 HydrophobicContact CB-CD1 4.1Å; A241-I284 HydrophobicContact CB-CG1 4.06Å; A241-C286 PolarHBondContact N-SG 2.99Å
242S97.8Very high97.6Very high18 Ų1830.9 Ų30.913%0.12615%0.151CC..SBendtrans-89.1-34.8170-530000110.8Y213 Y215 D218Y213-S242 PolarHBondContact O-N 3.41Å; Y215-S242 PolarHBondContact N-OG 2.82Å; D218-S242 WeakPolarHBondContact OD2-CB 3.38Å; D218-S242 PolarHBondContact OD2-OG 3.16Å
243F97Very high97.7Very high18 Ų1825.8 Ų25.88%0.07914%0.135CC..EExtended strand (participates in β ladder)trans-139.1156-167.8-42.6-57.9000112.4L174 S212 Y213 L245 T298 V300 C303L174-F243 HydrophobicContact CD1-CD2 4.28Å; L174-F243 HydrophobicContact CD1-CE2 4.35Å; S212-F243 VanDerWaalsContact CA-O 3.29Å; S212-F243 WeakPolarHBondContact CA-O 3.41Å; Y213-F243 PolarHBondContact N-O 3.09Å; Y213-F243 PolarHBondContact O-N 3.23Å; F243-L245 HydrophobicContact CB-CD1 4Å; F243-L245 HydrophobicContact CB-CG 3.99Å; F243-L245 HydrophobicContact CG-CD1 4.43Å; F243-T298 WeakPolarHBondContact CE1-O 3.39Å; F243-T298 VanDerWaalsContact CZ-O 3.26Å; F243-T298 WeakPolarHBondContact CZ-O 3.44Å; F243-V300 HydrophobicContact CB-CG2 4.41Å; F243-V300 HydrophobicContact CD1-CB 4.47Å; F243-V300 HydrophobicContact CD1-CG2 3.36Å; F243-V300 HydrophobicContact CD2-CG2 4.48Å; F243-V300 HydrophobicContact CE1-CB 4.33Å; F243-V300 HydrophobicContact CE1-CG2 3.63Å; F243-V300 HydrophobicContact CG-CG2 3.84Å; F243-V300 HydrophobicContact CZ-CG2 4.32Å; F243-C303 HydrophobicContact CE2-CB 3.9Å; F243-C303 HydrophobicContact CZ-CB 3.81Å
244S96.9Very high97.8Very high52 Ų5225.8 Ų25.836%0.36414%0.135SC..EExtended strand (participates in β ladder)trans-123.7117158.3-54.50000108.1T211T211-S244 CarbonylContact O-C 3.55Å; T211-S244 VanDerWaalsContact O-CA 3.25Å; T211-S244 WeakPolarHBondContact O-CA 3.41Å
245L97.4Very high97.7Very high21 Ų2125.6 Ų25.611%0.1113%0.131CC..EExtended strand (participates in β ladder)trans-138.8153.4-172.4-61.4171.6000109.7S210 T211 Y213 F243 Q249 L250 V300S210-L245 WeakPolarHBondContact CA-O 3.37Å; S210-L245 PolarHBondContact OG-N 3.36Å; T211-L245 PolarHBondContact N-O 3.26Å; T211-L245 PolarHBondContact O-N 2.94Å; Y213-L245 HydrophobicContact CD2-CB 4.01Å; Y213-L245 HydrophobicContact CD2-CD1 4.41Å; Y213-L245 HydrophobicContact CD2-CG 4.48Å; Y213-L245 HydrophobicContact CE2-CB 3.93Å; F243-L245 HydrophobicContact CB-CD1 4Å; F243-L245 HydrophobicContact CB-CG 3.99Å; F243-L245 HydrophobicContact CG-CD1 4.43Å; L245-Q249 HydrophobicContact CB-CB 4.24Å; L245-Q249 HydrophobicContact CD2-CB 4.11Å; L245-L250 HydrophobicContact CD1-CD1 4.18Å; L245-V300 HydrophobicContact CD1-CG1 4.11Å; L245-V300 HydrophobicContact CD1-CG2 4.19Å; L245-V300 HydrophobicContact CD2-CG2 4.3Å
246T97.1Very high97.7Very high19 Ų1928.9 Ų28.912%0.11714%0.144CC..EExtended strand (participates in β ladder)trans-79.8160.6158.867.50000109.7R248 Q249 L250T246-R248 PolarHBondContact O-N 3.09Å; T246-Q249 PolarHBondContact O-N 2.67Å; T246-Q249 WeakPolarHBondContact OG1-CG 3.32Å; T246-Q249 PolarHBondContact OG1-N 2.93Å; T246-L250 PolarHBondContact O-N 3.44Å
247V96.4Very high97.7Very high0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-55.1-39.8173.2-177.20000110.5I202 L206 Q249 L250 L251 F276I202-V247 HydrophobicContact CG2-CB 4.49Å; L206-V247 HydrophobicContact CB-CG2 4.49Å; V247-Q249 PolarHBondContact O-N 2.99Å; V247-L250 PolarHBondContact O-N 2.95Å; V247-L251 HydrophobicContact CG1-CD1 3.89Å; V247-L251 HydrophobicContact CG1-CG 4.16Å; V247-L251 WeakPolarHBondContact O-CB 3.39Å; V247-L251 VanDerWaalsContact O-CG 3.3Å; V247-L251 WeakPolarHBondContact O-CG 3.47Å; V247-L251 PolarHBondContact O-N 3.39Å; V247-F276 WeakPolarHBondContact CG2-O 3.44Å
248R96.8Very high97.7Very high81 Ų8127.9 Ų27.931%0.30614%0.141SC..Hα-helixtrans-56.3-50.6174.8178.6156.7-76.1-81.61.9112.1I202 T246 L250 L251 D252 M265I202-R248 VanDerWaalsContact CD1-CA 3.47Å; I202-R248 HydrophobicContact CD1-CB 3.43Å; I202-R248 VanDerWaalsContact CD1-CB 3.43Å; I202-R248 HydrophobicContact CD1-CG 3.98Å; T246-R248 PolarHBondContact O-N 3.09Å; R248-L250 VanDerWaalsContact C-N 3.31Å; R248-L250 PolarHBondContact O-N 3.03Å; R248-L251 PolarHBondContact O-N 2.91Å; R248-D252 VanDerWaalsContact CG-OD2 3.23Å; R248-D252 WeakPolarHBondContact CG-OD2 3.18Å; R248-D252 VanDerWaalsContact O-CB 3.31Å; R248-D252 WeakPolarHBondContact O-CB 3.24Å; R248-D252 PolarHBondContact O-N 2.86Å; R248-M265 VanDerWaalsContact NH2-C 3.35Å; R248-M265 PolarHBondContact NH2-O 2.97Å
249Q97.7Very high97.6Very high97 Ų9735.2 Ų35.245%0.45318%0.175SC..Hα-helixtrans-62.8-39.2-179-71.3170.6-31.900112L245 T246 V247 S253L245-Q249 HydrophobicContact CB-CB 4.24Å; L245-Q249 HydrophobicContact CD2-CB 4.11Å; T246-Q249 PolarHBondContact O-N 2.67Å; T246-Q249 WeakPolarHBondContact OG1-CG 3.32Å; T246-Q249 PolarHBondContact OG1-N 2.93Å; V247-Q249 PolarHBondContact O-N 2.99Å; Q249-S253 PolarHBondContact O-N 3.22Å; Q249-S253 VanDerWaalsContact O-N 3.09Å
250L98Very high97.5Very high1 Ų137 Ų371%0.00519%0.185CC..Hα-helixtrans-61.7-49.8175.7-176.667000111.4L174 W183 Y213 L245 T246 V247 R248 S253 M254 F276L174-L250 HydrophobicContact CD1-CD1 3.85Å; L174-L250 HydrophobicContact CD2-CD1 4.42Å; L174-L250 HydrophobicContact CD2-CD2 4.43Å; W183-L250 HydrophobicContact CZ3-CD1 3.92Å; W183-L250 HydrophobicContact CZ3-CG 4.38Å; Y213-L250 HydrophobicContact CD1-CD2 4.29Å; Y213-L250 HydrophobicContact CE1-CD2 3.74Å; L245-L250 HydrophobicContact CD1-CD1 4.18Å; T246-L250 PolarHBondContact O-N 3.44Å; V247-L250 PolarHBondContact O-N 2.95Å; R248-L250 VanDerWaalsContact C-N 3.31Å; R248-L250 PolarHBondContact O-N 3.03Å; L250-S253 WeakPolarHBondContact O-CB 3.44Å; L250-S253 PolarHBondContact O-N 3.07Å; L250-M254 PolarHBondContact O-N 3.45Å; L250-M254 VanDerWaalsContact O-N 3.11Å; L250-F276 HydrophobicContact CD2-CB 4.44Å; L250-F276 HydrophobicContact CD2-CD2 3.76Å; L250-F276 HydrophobicContact CD2-CE2 4.16Å; L250-F276 HydrophobicContact CD2-CG 4.09Å
251L97.5Very high97.3Very high1 Ų140.8 Ų40.81%0.00521%0.205CC..Hα-helixtrans-70-34.3-179.3-64.2-176.7000112.5Y186 M190 I200 V247 R248 S253 M254 R255 M265Y186-L251 HydrophobicContact CD1-CD1 4.12Å; Y186-L251 HydrophobicContact CD1-CD2 3.66Å; Y186-L251 HydrophobicContact CD2-CD2 3.71Å; Y186-L251 HydrophobicContact CE1-CD1 3.78Å; Y186-L251 HydrophobicContact CE1-CD2 4.04Å; Y186-L251 HydrophobicContact CE2-CD2 4.05Å; Y186-L251 HydrophobicContact CG-CD2 3.5Å; M190-L251 HydrophobicContact CE-CB 3.76Å; M190-L251 HydrophobicContact CE-CD2 4Å; M190-L251 HydrophobicContact CE-CG 4.32Å; I200-L251 HydrophobicContact CG2-CD1 3.97Å; V247-L251 HydrophobicContact CG1-CD1 3.89Å; V247-L251 HydrophobicContact CG1-CG 4.16Å; V247-L251 WeakPolarHBondContact O-CB 3.39Å; V247-L251 VanDerWaalsContact O-CG 3.3Å; V247-L251 WeakPolarHBondContact O-CG 3.47Å; V247-L251 PolarHBondContact O-N 3.39Å; R248-L251 PolarHBondContact O-N 2.91Å; L251-S253 VanDerWaalsContact C-N 3.32Å; L251-S253 PolarHBondContact O-N 3.45Å; L251-M254 PolarHBondContact O-N 3.39Å; L251-R255 VanDerWaalsContact O-CB 3.28Å; L251-R255 WeakPolarHBondContact O-CB 3.48Å; L251-R255 PolarHBondContact O-N 3.37Å; L251-M265 HydrophobicContact CB-CE 4.16Å; L251-M265 HydrophobicContact CB-SD 3.39Å; L251-M265 WeakPolarHBondContact CB-SD 3.38Å; L251-M265 HydrophobicContact CD1-SD 3.97Å; L251-M265 HydrophobicContact CG-SD 4.34Å
252D97.6Very high97Very high44 Ų4445.4 Ų45.424%0.23524%0.237CC..Hα-helixtrans-62-41.2172.3-85.2-41.4000111.1R248 R255 H256 M265R248-D252 VanDerWaalsContact CG-OD2 3.23Å; R248-D252 WeakPolarHBondContact CG-OD2 3.18Å; R248-D252 VanDerWaalsContact O-CB 3.31Å; R248-D252 WeakPolarHBondContact O-CB 3.24Å; R248-D252 PolarHBondContact O-N 2.86Å; D252-R255 PolarHBondContact O-N 3.05Å; D252-R255 IonicContact OD1-CZ 3.87Å; D252-R255 IonicContact OD1-NE 3.08Å; D252-R255 PolarHBondContact OD1-NE 3.42Å; D252-R255 IonicContact OD1-NH2 3.13Å; D252-R255 PolarHBondContact OD1-NH2 3Å; D252-H256 WeakPolarHBondContact O-CB 3.07Å; D252-H256 PolarHBondContact O-N 3.29Å; D252-M265 HydrophobicContact CB-CE 4.29Å; D252-M265 VanDerWaalsContact CG-CE 3.47Å; D252-M265 WeakPolarHBondContact OD1-CE 2.9Å
253S98.1Very high96.8Very high24 Ų2445.3 Ų45.317%0.16823%0.234CC..Hα-helixtrans-64.1-41.8175.7-163.80000112Q249 L250 L251 C257 T304Q249-S253 PolarHBondContact O-N 3.22Å; Q249-S253 VanDerWaalsContact O-N 3.09Å; L250-S253 WeakPolarHBondContact O-CB 3.44Å; L250-S253 PolarHBondContact O-N 3.07Å; L251-S253 VanDerWaalsContact C-N 3.32Å; L251-S253 PolarHBondContact O-N 3.45Å; S253-C257 PolarHBondContact O-N 3.4Å; S253-C257 PolarHBondContact O-SG 2.79Å; S253-T304 VanDerWaalsContact OG-CG2 3.28Å; S253-T304 WeakPolarHBondContact OG-CG2 3.31Å; S253-T304 PolarHBondContact OG-OG1 3.25Å
254M98.5Very high96.3Very high0 Ų048.6 Ų48.60%026%0.256CS..Hα-helixtrans-61.7-50173.8-178.4-169.8-73.700111.4W183 Q187 M190 L250 L251 H256 C257 L258W183-M254 HydrophobicContact CD2-CE 3.49Å; W183-M254 VanDerWaalsContact CD2-CE 3.49Å; W183-M254 HydrophobicContact CE3-CE 3.74Å; W183-M254 HydrophobicContact CG-CE 4.04Å; W183-M254 HydrophobicContact CH2-CB 4.09Å; W183-M254 HydrophobicContact CH2-CE 3.79Å; W183-M254 HydrophobicContact CH2-CG 4.36Å; W183-M254 HydrophobicContact CZ2-CB 4.27Å; W183-M254 HydrophobicContact CZ2-CE 3.56Å; W183-M254 HydrophobicContact CZ2-CG 4.05Å; W183-M254 HydrophobicContact CZ3-CE 3.89Å; Q187-M254 HydrophobicContact CB-CE 4.31Å; Q187-M254 HydrophobicContact CB-SD 4.01Å; M190-M254 HydrophobicContact CE-SD 4.11Å; M190-M254 HydrophobicContact SD-CB 4.25Å; M190-M254 HydrophobicContact SD-CG 3.84Å; M190-M254 HydrophobicContact SD-SD 3.56Å; L250-M254 PolarHBondContact O-N 3.45Å; L250-M254 VanDerWaalsContact O-N 3.11Å; L251-M254 PolarHBondContact O-N 3.39Å; M254-H256 VanDerWaalsContact C-N 3.29Å; M254-H256 PolarHBondContact O-N 2.9Å; M254-C257 PolarHBondContact O-N 2.98Å; M254-L258 HydrophobicContact CG-CD1 3.76Å; M254-L258 HydrophobicContact CG-CG 4.43Å; M254-L258 WeakPolarHBondContact O-CG 3.3Å; M254-L258 PolarHBondContact O-N 2.8Å; M254-L258 HydrophobicContact SD-CD1 4.44Å
255R97.4Very high96.2Very high51 Ų5146.8 Ų46.819%0.19224%0.242CC..Hα-helixtrans-55.9-43.6179.8-176.8174.760.5107.55.3111.8M190 L251 D252 L258 H259 L260 D261 I263M190-R255 HydrophobicContact CE-CB 4.39Å; M190-R255 HydrophobicContact SD-CB 4.09Å; L251-R255 VanDerWaalsContact O-CB 3.28Å; L251-R255 WeakPolarHBondContact O-CB 3.48Å; L251-R255 PolarHBondContact O-N 3.37Å; D252-R255 PolarHBondContact O-N 3.05Å; D252-R255 IonicContact OD1-CZ 3.87Å; D252-R255 IonicContact OD1-NE 3.08Å; D252-R255 PolarHBondContact OD1-NE 3.42Å; D252-R255 IonicContact OD1-NH2 3.13Å; D252-R255 PolarHBondContact OD1-NH2 3Å; R255-L258 PolarHBondContact O-N 2.65Å; R255-H259 PolarHBondContact O-N 2.96Å; R255-L260 WeakPolarHBondContact CD-O 3.48Å; R255-L260 HydrophobicContact CG-CB 4.24Å; R255-L260 WeakPolarHBondContact CG-O 3.27Å; R255-L260 PolarHBondContact O-N 3.35Å; R255-D261 PolarHBondContact NH1-O 3.31Å; R255-I263 VanDerWaalsContact CD-O 3.24Å; R255-I263 WeakPolarHBondContact CD-O 3.39Å
256H97.7Very high96.1Very high116 Ų11648.9 Ų48.954%0.53725%0.253SS..Hα-helixtrans-68.1-43.5178-167.258.6000112.5D252 M254 L258 H259 D261D252-H256 WeakPolarHBondContact O-CB 3.07Å; D252-H256 PolarHBondContact O-N 3.29Å; M254-H256 VanDerWaalsContact C-N 3.29Å; M254-H256 PolarHBondContact O-N 2.9Å; H256-L258 VanDerWaalsContact C-N 3.26Å; H256-L258 PolarHBondContact O-N 2.6Å; H256-H259 PolarHBondContact O-N 2.73Å; H256-D261 IonicContact CG-OD1 3.6Å; H256-D261 IonicContact ND1-OD1 3.36Å; H256-D261 PolarHBondContact ND1-OD1 3.35Å; H256-D261 IonicContact ND1-OD2 2.89Å
257C97.7Very high95.9Very high16 Ų1653.1 Ų53.111%0.10827%0.271CS..Hα-helixtrans-63.8-31177.1-67.60000112.9S253 M254 H259 T304 C308S253-C257 PolarHBondContact O-N 3.4Å; S253-C257 PolarHBondContact O-SG 2.79Å; M254-C257 PolarHBondContact O-N 2.98Å; C257-H259 VanDerWaalsContact C-N 3.29Å; C257-T304 PolarHBondContact SG-OG1 3.32Å; C257-C308 HydrophobicContact CB-CB 4.44Å
258L97.4Very high95.8Very high21 Ų2153.7 Ų53.711%0.1128%0.277CS..THydrogen-bonded Turntrans-83.9-2.8176.3-65.2172.3000113.2Q187 M190 Q191 M254 R255 H256 L260 C308Q187-L258 HydrophobicContact CG-CD1 4.05Å; Q187-L258 HydrophobicContact CG-CD2 4.46Å; M190-L258 HydrophobicContact CB-CD1 4.33Å; M190-L258 HydrophobicContact SD-CD1 4.45Å; Q191-L258 HydrophobicContact CG-CD1 4.06Å; Q191-L258 HydrophobicContact CG-CD2 4.41Å; M254-L258 HydrophobicContact CG-CD1 3.76Å; M254-L258 HydrophobicContact CG-CG 4.43Å; M254-L258 WeakPolarHBondContact O-CG 3.3Å; M254-L258 PolarHBondContact O-N 2.8Å; M254-L258 HydrophobicContact SD-CD1 4.44Å; R255-L258 PolarHBondContact O-N 2.65Å; H256-L258 VanDerWaalsContact C-N 3.26Å; H256-L258 PolarHBondContact O-N 2.6Å; L258-L260 HydrophobicContact CB-CB 4.39Å; L258-L260 HydrophobicContact CB-CD1 3.76Å; L258-L260 HydrophobicContact CB-CG 3.89Å; L258-L260 HydrophobicContact CD1-CD1 4.11Å; L258-L260 PolarHBondContact O-N 2.95Å; L258-C308 HydrophobicContact CD2-CB 3.81Å; L258-C308 HydrophobicContact CG-CB 4.41Å
259H96.8Very high95.6Very high153 Ų15356.8 Ų56.871%0.70829%0.293SS*.THydrogen-bonded Turntrans56.736.5-173-52.2-55.4000113.3R255 H256 C257R255-H259 PolarHBondContact O-N 2.96Å; H256-H259 PolarHBondContact O-N 2.73Å; C257-H259 VanDerWaalsContact C-N 3.29Å
260L96.6Very high95.2Very high39 Ų3957 Ų5720%0.20430%0.297CS..  trans-107.634.8-178.8-66.3175.4000111.6M190 Q191 R255 L258 S262 I263M190-L260 HydrophobicContact CB-CD1 3.95Å; Q191-L260 HydrophobicContact CG-CD1 4.04Å; R255-L260 WeakPolarHBondContact CD-O 3.48Å; R255-L260 HydrophobicContact CG-CB 4.24Å; R255-L260 WeakPolarHBondContact CG-O 3.27Å; R255-L260 PolarHBondContact O-N 3.35Å; L258-L260 HydrophobicContact CB-CB 4.39Å; L258-L260 HydrophobicContact CB-CD1 3.76Å; L258-L260 HydrophobicContact CB-CG 3.89Å; L258-L260 HydrophobicContact CD1-CD1 4.11Å; L258-L260 PolarHBondContact O-N 2.95Å; L260-S262 PolarHBondContact O-N 3.11Å; L260-I263 HydrophobicContact CB-CG1 3.98Å; L260-I263 WeakPolarHBondContact O-CB 3.43Å; L260-I263 PolarHBondContact O-N 2.73Å
261D94.2Very high94.8Very high79 Ų7964.3 Ų64.342%0.42233%0.331SS..THydrogen-bonded Turntrans-59.3-14-177-63.3-73.3000113.8R255 H256R255-D261 PolarHBondContact NH1-O 3.31Å; H256-D261 IonicContact CG-OD1 3.6Å; H256-D261 IonicContact ND1-OD1 3.36Å; H256-D261 PolarHBondContact ND1-OD1 3.35Å; H256-D261 IonicContact ND1-OD2 2.89Å
262S92.6Very high94.6Very high103 Ų10366.3 Ų66.372%0.7234%0.342SS*.THydrogen-bonded Turntrans-75.9-21.3172.255.40000114.2L260 T264L260-S262 PolarHBondContact O-N 3.11Å; S262-T264 PolarHBondContact O-N 3.32Å
263I92.8Very high94.4Very high15 Ų1565.7 Ų65.78%0.07734%0.34CS..  trans-68.5126.5179.2-62.3-58.5000109.3N193 I200 R255 L260N193-I263 HydrophobicContact CB-CD1 3.62Å; I200-I263 HydrophobicContact CD1-CG2 4.01Å; R255-I263 VanDerWaalsContact CD-O 3.24Å; R255-I263 WeakPolarHBondContact CD-O 3.39Å; L260-I263 HydrophobicContact CB-CG1 3.98Å; L260-I263 WeakPolarHBondContact O-CB 3.43Å; L260-I263 PolarHBondContact O-N 2.73Å
264T88.4Confident94.3Very high88 Ų8866.6 Ų66.654%0.5435%0.346SS..  trans-90.2135.1178.7-58.80000109.7S262 I266S262-T264 PolarHBondContact O-N 3.32Å; T264-I266 HydrophobicContact CG2-CG2 3.78Å
265M93.4Very high94.2Very high14 Ų1467.4 Ų67.47%0.06935%0.35CS..EExtended strand (participates in β ladder)trans-110.4127.4167.9-64.2-178.7-74.300108.7M190 I200 R248 L251 D252M190-M265 HydrophobicContact CE-SD 4.08Å; I200-M265 HydrophobicContact CB-CG 3.99Å; I200-M265 HydrophobicContact CG2-CG 3.94Å; I200-M265 HydrophobicContact CG2-SD 4.28Å; I200-M265 CarbonylContact O-C 3.52Å; I200-M265 WeakPolarHBondContact O-CA 3.39Å; R248-M265 VanDerWaalsContact NH2-C 3.35Å; R248-M265 PolarHBondContact NH2-O 2.97Å; L251-M265 HydrophobicContact CB-CE 4.16Å; L251-M265 HydrophobicContact CB-SD 3.39Å; L251-M265 WeakPolarHBondContact CB-SD 3.38Å; L251-M265 HydrophobicContact CD1-SD 3.97Å; L251-M265 HydrophobicContact CG-SD 4.34Å; D252-M265 HydrophobicContact CB-CE 4.29Å; D252-M265 VanDerWaalsContact CG-CE 3.47Å; D252-M265 WeakPolarHBondContact OD1-CE 2.9Å
266I94.8Very high94.1Very high64 Ų6465.1 Ų65.133%0.32834%0.341SS..EExtended strand (participates in β ladder)trans-113.3165.9-175.967.1174.6000111.8D199 I200 T201 I202 T264D199-I266 HydrophobicContact CB-CD1 3.73Å; D199-I266 HydrophobicContact CB-CG1 3.94Å; I200-I266 PolarHBondContact O-N 2.89Å; T201-I266 CarbonylContact C-O 3.52Å; T201-I266 WeakPolarHBondContact CA-O 3.05Å; T201-I266 HydrophobicContact CG2-CD1 4.22Å; T201-I266 HydrophobicContact CG2-CG1 3.86Å; I202-I266 PolarHBondContact N-O 2.75Å; T264-I266 HydrophobicContact CG2-CG2 3.78Å
267E94.6Very high94.1Very high109 Ų10960.6 Ų60.651%0.50932%0.322SS..EExtended strand (participates in β ladder)trans-72.2128.9168.8-68.6177.2-151.700109.5K207K207-E267 HydrophobicContact CD-CG 4.26Å; K207-E267 VanDerWaalsContact CE-OE1 3.23Å; K207-E267 WeakPolarHBondContact CE-OE1 3.29Å; K207-E267 VanDerWaalsContact NZ-CD 3.25Å; K207-E267 IonicContact NZ-OE1 3.34Å; K207-E267 PolarHBondContact NZ-OE1 3.2Å; K207-E267 IonicContact NZ-OE2 3.47Å; K207-E267 PolarHBondContact NZ-OE2 3.34Å
268G92.8Very high93.9Very high12 Ų1263 Ų6312%0.12434%0.339CS..EExtended strand (participates in β ladder)trans-107.3175.2-178.200000113.5I202 L204 D272I202-G268 PolarHBondContact O-N 2.98Å; L204-G268 PolarHBondContact N-O 3.4Å; G268-D272 WeakPolarHBondContact CA-OD2 3.26Å
269K93.3Very high93.8Very high145 Ų14562.5 Ų62.563%0.6334%0.337SS*.  trans-79.2166.5167.8-56.2177.2-176.7169.10110.4P203 E271 D272P203-K269 WeakPolarHBondContact CA-O 3.2Å; K269-E271 VanDerWaalsContact CB-OE2 3.29Å; K269-E271 WeakPolarHBondContact CB-OE2 3.24Å; K269-E271 PolarHBondContact O-N 2.73Å; K269-D272 PolarHBondContact N-OD2 2.9Å; K269-D272 WeakPolarHBondContact O-CB 3.28Å; K269-D272 PolarHBondContact O-N 2.95Å
270N89.3Confident93.5Very high101 Ų10157.3 Ų57.354%0.5433%0.325SS..THydrogen-bonded Turntrans-69.3-21.8179.4-70.5-17.8000112.6A205A205-N270 WeakPolarHBondContact CB-OD1 3.34Å; A205-N270 PolarHBondContact N-OD1 2.94Å
271E90Very high93.2Very high155 Ų15558.7 Ų58.772%0.72433%0.33SS*.THydrogen-bonded Turntrans-87.5-6178.3-5376.8-164.100113.1K269K269-E271 VanDerWaalsContact CB-OE2 3.29Å; K269-E271 WeakPolarHBondContact CB-OE2 3.24Å; K269-E271 PolarHBondContact O-N 2.73Å
272D92.9Very high93Very high43 Ų4355.2 Ų55.223%0.2331%0.312CS..SBendtrans-70.3147.1-178-67.7-10.8000111.2T201 G268 K269 C274T201-D272 WeakPolarHBondContact CB-OD2 3.24Å; T201-D272 WeakPolarHBondContact CG2-OD2 3.35Å; T201-D272 VanDerWaalsContact OG1-CB 3.28Å; T201-D272 WeakPolarHBondContact OG1-CB 3.03Å; T201-D272 PolarHBondContact OG1-OD2 3.14Å; G268-D272 WeakPolarHBondContact CA-OD2 3.26Å; K269-D272 PolarHBondContact N-OD2 2.9Å; K269-D272 WeakPolarHBondContact O-CB 3.28Å; K269-D272 PolarHBondContact O-N 2.95Å; D272-C274 PolarHBondContact O-N 3.47Å
273P93.2Very high93.2Very high32 Ų3251.1 Ų51.121%0.20828%0.284CS..  trans-55.7122.1-178.5-29.137.7000113.2F275 E332 L333P273-F275 HydrophobicContact CB-CZ 4.47Å; P273-E332 WeakPolarHBondContact CG-O 3.42Å; P273-L333 HydrophobicContact CB-CD2 3.99Å; P273-L333 HydrophobicContact CG-CD2 3.93Å
274C95Very high93.4Very high42 Ų4250.6 Ų50.628%0.28428%0.281SS..  trans-143.8121.1-179.2-162.60000111.4Y186 P203 L206 D272 F276Y186-C274 WeakPolarHBondContact OH-CA 3.37Å; Y186-C274 PolarHBondContact OH-SG 2.92Å; P203-C274 HydrophobicContact CG-CB 3.64Å; L206-C274 HydrophobicContact CD1-CB 4.45Å; L206-C274 VanDerWaalsContact CD1-SG 3.59Å; D272-C274 PolarHBondContact O-N 3.47Å; C274-F276 PolarHBondContact SG-O 2.84Å
275F96.5Very high93.8Very high18 Ų1847.4 Ų47.48%0.07926%0.26CS..  trans-99.2-7.4-173.2-46.8-59000113.4R182 Q185 Y186 W189 P273 L329 E332R182-F275 HydrophobicContact CB-CB 3.82Å; R182-F275 VanDerWaalsContact CD-O 3.27Å; R182-F275 WeakPolarHBondContact CD-O 3.34Å; R182-F275 HydrophobicContact CG-CB 4.03Å; R182-F275 PolarHBondContact NH1-O 3.48Å; Q185-F275 HydrophobicContact CB-CD2 3.8Å; Q185-F275 HydrophobicContact CB-CE2 3.6Å; Q185-F275 HydrophobicContact CB-CG 4.43Å; Q185-F275 HydrophobicContact CB-CZ 4.05Å; Y186-F275 HydrophobicContact CD1-CD2 4.17Å; Y186-F275 HydrophobicContact CD1-CE2 4.49Å; Y186-F275 HydrophobicContact CD2-CB 4.08Å; Y186-F275 AromaticContact CD2-CD2 3.63Å; Y186-F275 HydrophobicContact CD2-CD2 3.63Å; Y186-F275 HydrophobicContact CD2-CG 4.35Å; Y186-F275 HydrophobicContact CE1-CD2 4.05Å; Y186-F275 HydrophobicContact CE1-CE2 4.43Å; Y186-F275 HydrophobicContact CE2-CB 3.62Å; Y186-F275 AromaticContact CE2-CD2 3.53Å; Y186-F275 HydrophobicContact CE2-CD2 3.53Å; Y186-F275 HydrophobicContact CE2-CG 4Å; Y186-F275 AromaticContact CG-CD2 3.95Å; Y186-F275 HydrophobicContact CG-CD2 3.95Å; Y186-F275 AromaticContact CZ-CD2 3.73Å; Y186-F275 PolarHBondContact OH-N 3.27Å; W189-F275 HydrophobicContact CE3-CE2 4.3Å; P273-F275 HydrophobicContact CB-CZ 4.47Å; F275-L329 HydrophobicContact CE2-CD1 4.16Å; F275-L329 HydrophobicContact CZ-CD1 4.06Å; F275-E332 HydrophobicContact CE1-CB 4.22Å; F275-E332 HydrophobicContact CE1-CG 4.05Å; F275-E332 HydrophobicContact CZ-CB 4.27Å
276F97.1Very high94Very high2 Ų247.7 Ų47.71%0.00926%0.264CS..  trans-142.3151.4175.2-68.5-68.5000110.1D172 L174 R182 Y186 Y213 V247 L250 C274D172-F276 HydrophobicContact CB-CD1 4.11Å; D172-F276 HydrophobicContact CB-CE1 4.14Å; L174-F276 HydrophobicContact CD2-CE1 4.2Å; L174-F276 HydrophobicContact CD2-CZ 3.98Å; R182-F276 HydrophobicContact CB-CE1 4.13Å; R182-F276 HydrophobicContact CB-CE2 3.99Å; R182-F276 HydrophobicContact CB-CZ 3.69Å; Y186-F276 AromaticContact CD2-CD2 3.98Å; Y186-F276 HydrophobicContact CD2-CD2 3.98Å; Y186-F276 HydrophobicContact CD2-CE2 4.28Å; Y186-F276 AromaticContact CE2-CD2 3.89Å; Y186-F276 HydrophobicContact CE2-CD2 3.89Å; Y213-F276 HydrophobicContact CE1-CB 4.17Å; Y213-F276 AromaticContact CE1-CD1 3.78Å; Y213-F276 HydrophobicContact CE1-CD1 3.78Å; Y213-F276 HydrophobicContact CE1-CE1 4.39Å; Y213-F276 HydrophobicContact CE1-CG 4.07Å; V247-F276 WeakPolarHBondContact CG2-O 3.44Å; L250-F276 HydrophobicContact CD2-CB 4.44Å; L250-F276 HydrophobicContact CD2-CD2 3.76Å; L250-F276 HydrophobicContact CD2-CE2 4.16Å; L250-F276 HydrophobicContact CD2-CG 4.09Å; C274-F276 PolarHBondContact SG-O 2.84Å
277P96.7Very high94.1Very high22 Ų2247.9 Ų47.914%0.14327%0.271CS..  cis-76.9172.2-12.435.1-35.2000111.9D172 L206 T211 V279D172-P277 WeakPolarHBondContact OD2-CA 3.41Å; L206-P277 HydrophobicContact CD2-CG 4.25Å; T211-P277 HydrophobicContact CG2-CB 3.73Å; T211-P277 HydrophobicContact CG2-CG 3.6Å; T211-P277 WeakPolarHBondContact OG1-CB 3.32Å; P277-V279 VanDerWaalsContact CG-O 3.26Å; P277-V279 WeakPolarHBondContact CG-O 3.28Å
278S94.4Very high94.2Very high65 Ų6545 Ų4546%0.45526%0.255SS..SBendtrans-86.6-5.8168.557.50000114D172D172-S278 VanDerWaalsContact CG-OG 3.26Å; D172-S278 WeakPolarHBondContact OD1-CB 3.12Å; D172-S278 PolarHBondContact OD1-OG 2.98Å; D172-S278 PolarHBondContact OD2-N 3.25Å; D172-S278 PolarHBondContact OD2-OG 3.15Å
279V93.9Very high94.4Very high12 Ų1244.4 Ų44.47%0.07325%0.249CC..  trans-130.5156.2-173.9-62.60000112.6T211 P277T211-V279 HydrophobicContact CG2-CG2 4.34Å; P277-V279 VanDerWaalsContact CG-O 3.26Å; P277-V279 WeakPolarHBondContact CG-O 3.28Å
280G90.4Very high94.5Very high44 Ų4441.3 Ų41.345%0.45424%0.238SC..SBendtrans-108.5-23.3-174.700000115.5E109 G282E109-G280 PolarHBondContact OE1-N 3.42Å; G280-G282 PolarHBondContact O-N 2.89Å; G280-G282 VanDerWaalsContact O-N 3.16Å
281H90Very high94.7Very high68 Ų6839.8 Ų39.832%0.31525%0.246SC..SBendtrans-78.16.6-172.1-7392.8000116.2E109 V113 L120E109-H281 IonicContact OE1-CE1 3.07Å; E109-H281 IonicContact OE1-CG 3.45Å; E109-H281 PolarHBondContact OE1-N 3.44Å; E109-H281 IonicContact OE1-ND1 2.61Å; E109-H281 PolarHBondContact OE1-ND1 3.37Å; E109-H281 IonicContact OE2-CE1 2.71Å; E109-H281 PolarHBondContact OE2-CE1 3.36Å; E109-H281 IonicContact OE2-ND1 3.46Å; E109-H281 PolarHBondContact OE2-ND1 2.99Å; V113-H281 VanDerWaalsContact CG2-CD2 3.49Å; V113-H281 WeakPolarHBondContact CG2-CD2 3.01Å; L120-H281 HydrophobicContact CD1-CB 3.66Å; L120-H281 HydrophobicContact CD2-CB 4.31Å
282G91.7Very high95Very high5 Ų536.5 Ų36.55%0.05223%0.227CC..  trans85.7-156.6178.500000113.6S210 G280S210-G282 CarbonylContact O-C 3.06Å; S210-G282 WeakPolarHBondContact O-CA 3.43Å; G280-G282 PolarHBondContact O-N 2.89Å; G280-G282 VanDerWaalsContact O-N 3.16Å
283P95.8Very high95.2Very high18 Ų1835.2 Ų35.212%0.11722%0.219CC..PPolyproline II helixtrans-86.6150.9-16932.9-29.5000113K119 L120 S210 S212K119-P283 CarbonylContact C-O 3.54Å; K119-P283 VanDerWaalsContact CA-O 3.28Å; K119-P283 WeakPolarHBondContact CA-O 3.39Å; K119-P283 HydrophobicContact CG-CG 4.33Å; L120-P283 PolarHBondContact N-O 2.9Å; S210-P283 VanDerWaalsContact O-CD 3.22Å; S210-P283 WeakPolarHBondContact O-CD 3.43Å; S212-P283 VanDerWaalsContact OG-CA 3.24Å; S212-P283 WeakPolarHBondContact OG-CA 3.48Å; S212-P283 WeakPolarHBondContact OG-CB 3.35Å
284I97.4Very high95.2Very high4 Ų440.2 Ų40.22%0.02125%0.253CS..BIsolated β-bridgetrans-84.7147.517360177.5000111.9D105 Y108 L120 P171 S212 N239 A241D105-I284 HydrophobicContact CB-CG2 3.76Å; Y108-I284 HydrophobicContact CD2-CG2 4.05Å; Y108-I284 HydrophobicContact CE2-CG2 3.65Å; L120-I284 HydrophobicContact CB-CG2 4.28Å; L120-I284 HydrophobicContact CD1-CG2 4.45Å; P171-I284 HydrophobicContact CB-CD1 4.32Å; P171-I284 HydrophobicContact CG-CD1 4.17Å; S212-I284 PolarHBondContact OG-N 3.33Å; N239-I284 HydrophobicContact CB-CB 4.02Å; N239-I284 HydrophobicContact CB-CD1 3.86Å; N239-I284 HydrophobicContact CB-CG1 4.2Å; A241-I284 HydrophobicContact CB-CD1 4.1Å; A241-I284 HydrophobicContact CB-CG1 4.06Å
285D97.3Very high95.1Very high20 Ų2038.9 Ų38.911%0.10724%0.243CC..PPolyproline II helixtrans-86.4116.5173.8-170.7-31.6000109.8K119 L120 R121 N239 S287K119-D285 HydrophobicContact CB-CB 3.87Å; L120-D285 PolarHBondContact O-N 2.87Å; R121-D285 HydrophobicContact CG-CB 3.71Å; R121-D285 IonicContact CZ-OD2 3.76Å; R121-D285 IonicContact NE-OD2 3.19Å; R121-D285 PolarHBondContact NE-OD2 3.47Å; R121-D285 VanDerWaalsContact NE-OD2 3.13Å; R121-D285 IonicContact NH2-OD2 3.62Å; N239-D285 WeakPolarHBondContact CB-O 3.09Å; N239-D285 PolarHBondContact ND2-O 3.47Å; D285-S287 WeakPolarHBondContact OD1-CB 3.35Å; D285-S287 PolarHBondContact OD1-N 3.28Å; D285-S287 PolarHBondContact OD1-OG 2.96Å
286C97.2Very high94.9Very high20 Ų2042.3 Ų42.314%0.13527%0.268CS..  trans-98.411.8179.4-60.10000113.4A241 R288 V289 M290A241-C286 PolarHBondContact N-SG 2.99Å; C286-R288 PolarHBondContact O-N 3.25Å; C286-V289 HydrophobicContact CB-CG1 3.93Å; C286-V289 WeakPolarHBondContact O-CG1 3.37Å; C286-V289 PolarHBondContact O-N 2.86Å; C286-M290 HydrophobicContact CB-CE 4.35Å; C286-M290 VanDerWaalsContact O-CG 3.27Å; C286-M290 WeakPolarHBondContact O-CG 3.49Å; C286-M290 PolarHBondContact O-N 2.98Å; C286-M290 VanDerWaalsContact O-N 3.1Å
287S96.4Very high94.9Very high69 Ų6945 Ų4548%0.48328%0.282SS..Hα-helixtrans-58.9-31.9-177.1570000113D285 M290 G291D285-S287 WeakPolarHBondContact OD1-CB 3.35Å; D285-S287 PolarHBondContact OD1-N 3.28Å; D285-S287 PolarHBondContact OD1-OG 2.96Å; S287-M290 PolarHBondContact O-N 3.14Å; S287-G291 PolarHBondContact O-N 2.68Å
288R97.3Very high95Very high47 Ų4744.8 Ų44.818%0.17728%0.28CS..Hα-helixtrans-62.6-44.9179.9-170.2-171.4-76.3-154.3-11.9112.9E122 E123 V237 F238 C286 R292E122-R288 WeakPolarHBondContact OE1-CB 3.27Å; E122-R288 WeakPolarHBondContact OE1-CD 3.26Å; E122-R288 IonicContact OE1-NE 3.7Å; E122-R288 IonicContact OE2-CZ 2.9Å; E122-R288 IonicContact OE2-NE 2.86Å; E122-R288 PolarHBondContact OE2-NE 3.36Å; E122-R288 IonicContact OE2-NH2 2.66Å; E123-R288 VanDerWaalsContact CD-NH2 3.34Å; E123-R288 IonicContact OE1-CZ 3.84Å; E123-R288 IonicContact OE1-NH2 3.87Å; E123-R288 PolarHBondContact OE1-NH2 3.4Å; E123-R288 IonicContact OE2-NH2 2.94Å; V237-R288 WeakPolarHBondContact O-CD 3.5Å; V237-R288 PolarHBondContact O-NH1 2.94Å; F238-R288 HydrophobicContact CD1-CB 4.31Å; F238-R288 HydrophobicContact CD1-CG 3.92Å; F238-R288 HydrophobicContact CE1-CG 3.81Å; C286-R288 PolarHBondContact O-N 3.25Å; R288-R292 PolarHBondContact O-NH1 3.3Å
289V97.1Very high95.2Very high0 Ų046.4 Ų46.40%028%0.282CS..Hα-helixtrans-74.2-43.4177.456.90000110.8F222 F238 N239 F240 C286 G291 R292 Y293 I295F222-V289 HydrophobicContact CD1-CG2 4.35Å; F222-V289 HydrophobicContact CD2-CG2 4.13Å; F222-V289 HydrophobicContact CE1-CG2 3.72Å; F222-V289 HydrophobicContact CE2-CG2 3.5Å; F222-V289 VanDerWaalsContact CE2-CG2 3.5Å; F222-V289 HydrophobicContact CZ-CB 4.16Å; F222-V289 HydrophobicContact CZ-CG2 3.26Å; F238-V289 HydrophobicContact CD1-CB 3.81Å; F238-V289 HydrophobicContact CE1-CB 4.35Å; F238-V289 HydrophobicContact CG-CB 4.35Å; N239-V289 WeakPolarHBondContact O-CG1 3.45Å; F240-V289 HydrophobicContact CD2-CG1 3.93Å; F240-V289 HydrophobicContact CD2-CG2 4.08Å; F240-V289 HydrophobicContact CE2-CG2 4.49Å; C286-V289 HydrophobicContact CB-CG1 3.93Å; C286-V289 WeakPolarHBondContact O-CG1 3.37Å; C286-V289 PolarHBondContact O-N 2.86Å; V289-G291 PolarHBondContact O-N 3Å; V289-R292 PolarHBondContact O-N 3.04Å; V289-Y293 HydrophobicContact CG2-CD2 4.38Å; V289-Y293 PolarHBondContact O-N 3.29Å; V289-I295 HydrophobicContact CG2-CD1 3.89Å
290M94.4Very high95.4Very high80 Ų8047.7 Ų47.739%0.39429%0.29SS..Hα-helixtrans-63.3-28.5178.4-61.7-56.1167.600112.9C286 S287 R292 L297C286-M290 HydrophobicContact CB-CE 4.35Å; C286-M290 VanDerWaalsContact O-CG 3.27Å; C286-M290 WeakPolarHBondContact O-CG 3.49Å; C286-M290 PolarHBondContact O-N 2.98Å; C286-M290 VanDerWaalsContact O-N 3.1Å; S287-M290 PolarHBondContact O-N 3.14Å; M290-R292 VanDerWaalsContact C-N 3.29Å; M290-R292 PolarHBondContact O-N 2.95Å; M290-L297 HydrophobicContact CE-CD1 3.34Å; M290-L297 HydrophobicContact CE-CD2 4.29Å; M290-L297 HydrophobicContact CE-CG 4.09Å; M290-L297 HydrophobicContact SD-CD1 4.45Å
291G94Very high95.7Very high69 Ų6948.4 Ų48.471%0.71129%0.288SS*.THydrogen-bonded Turntrans-75.9-11.1173.500000114.6S287 V289S287-G291 PolarHBondContact O-N 2.68Å; V289-G291 PolarHBondContact O-N 3Å
292R96.1Very high96.1Very high86 Ų8649.2 Ų49.233%0.32530%0.295SS..THydrogen-bonded Turntrans-116.6-36.2-175.4-74.1178.317869.1-7.2113.7R232 R288 V289 M290R232-R292 VanDerWaalsContact CD-O 3.29Å; R232-R292 WeakPolarHBondContact CD-O 3.4Å; R232-R292 PolarHBondContact NH1-O 3.32Å; R232-R292 WeakPolarHBondContact O-CD 3.23Å; R288-R292 PolarHBondContact O-NH1 3.3Å; V289-R292 PolarHBondContact O-N 3.04Å; M290-R292 VanDerWaalsContact C-N 3.29Å; M290-R292 PolarHBondContact O-N 2.95Å
293Y96.5Very high96.5Very high16 Ų1649 Ų496%0.06329%0.293CS..  trans-125.1136.5-176.1-67-82.8000110.9F222 A225 I226 D229 R232 S233 F238 V289 I295F222-Y293 HydrophobicContact CD2-CD2 4.45Å; F222-Y293 AromaticContact CE2-CD2 3.62Å; F222-Y293 HydrophobicContact CE2-CD2 3.62Å; F222-Y293 AromaticContact CE2-CE2 3.87Å; F222-Y293 HydrophobicContact CE2-CE2 3.87Å; F222-Y293 HydrophobicContact CE2-CG 4.15Å; F222-Y293 HydrophobicContact CZ-CD2 4.46Å; A225-Y293 HydrophobicContact CB-CD1 3.87Å; A225-Y293 HydrophobicContact CB-CE1 4.29Å; I226-Y293 HydrophobicContact CG1-CE2 4.33Å; D229-Y293 PolarHBondContact O-OH 2.94Å; R232-Y293 HydrophobicContact CB-CE1 4.31Å; R232-Y293 HydrophobicContact CB-CE2 4Å; R232-Y293 WeakPolarHBondContact CB-OH 3.49Å; S233-Y293 WeakPolarHBondContact CB-OH 3.09Å; S233-Y293 PolarHBondContact N-OH 2.99Å; F238-Y293 HydrophobicContact CZ-CE2 4.36Å; V289-Y293 HydrophobicContact CG2-CD2 4.38Å; V289-Y293 PolarHBondContact O-N 3.29Å; Y293-I295 PolarHBondContact O-N 2.84Å
294C93.3Very high96.6Very high137 Ų13748.1 Ų48.193%0.92629%0.287SS*.  trans-93.788.3170.7-174.20000108.5
295I93.1Very high96.6Very high14 Ų1451.2 Ų51.27%0.07230%0.301CS..  trans-101.4123.1-178.3-54.9159000107.7R221 F222 F240 V289 Y293 L297R221-I295 HydrophobicContact CB-CG2 3.96Å; F222-I295 HydrophobicContact CB-CD1 3.75Å; F222-I295 HydrophobicContact CD1-CD1 4.47Å; F222-I295 HydrophobicContact CD2-CD1 3.29Å; F222-I295 HydrophobicContact CD2-CG1 4.37Å; F222-I295 HydrophobicContact CE2-CD1 4Å; F222-I295 HydrophobicContact CG-CD1 3.59Å; F240-I295 HydrophobicContact CE2-CD1 3.8Å; F240-I295 HydrophobicContact CZ-CD1 4.27Å; F240-I295 HydrophobicContact CZ-CG2 4.46Å; V289-I295 HydrophobicContact CG2-CD1 3.89Å; Y293-I295 PolarHBondContact O-N 2.84Å; I295-L297 HydrophobicContact CG2-CD2 4.33Å; I295-L297 PolarHBondContact O-N 3.29Å
296P93.4Very high96.7Very high91 Ų9153.6 Ų53.659%0.59131%0.314SS*.  trans-69.5107.3172.427.8-30.1000108.4
297L97.5Very high96.8Very high59 Ų5952.6 Ų52.631%0.30931%0.308SS..PPolyproline II helixtrans-80.6138174.8-64.1-177000110.5D218 F240 M290 I295D218-L297 HydrophobicContact CB-CD2 4.02Å; F240-L297 HydrophobicContact CE2-CD2 3.99Å; F240-L297 HydrophobicContact CZ-CD2 3.88Å; M290-L297 HydrophobicContact CE-CD1 3.34Å; M290-L297 HydrophobicContact CE-CD2 4.29Å; M290-L297 HydrophobicContact CE-CG 4.09Å; M290-L297 HydrophobicContact SD-CD1 4.45Å; I295-L297 HydrophobicContact CG2-CD2 4.33Å; I295-L297 PolarHBondContact O-N 3.29Å
298T98.3Very high96.9Very high17 Ų1749.4 Ų49.410%0.10429%0.285CS..PPolyproline II helixtrans-66141.5170.7-63.50000109.5Y215 D218 R221 F243 D302 C303Y215-T298 HydrophobicContact CD1-CG2 3.81Å; Y215-T298 WeakPolarHBondContact CD1-OG1 3.43Å; Y215-T298 HydrophobicContact CE1-CG2 4.06Å; D218-T298 PolarHBondContact OD1-N 2.68Å; D218-T298 PolarHBondContact OD1-OG1 2.86Å; D218-T298 PolarHBondContact OD2-N 3.27Å; D218-T298 VanDerWaalsContact OD2-N 3.15Å; R221-T298 PolarHBondContact NH1-OG1 3.49Å; F243-T298 WeakPolarHBondContact CE1-O 3.39Å; F243-T298 VanDerWaalsContact CZ-O 3.26Å; F243-T298 WeakPolarHBondContact CZ-O 3.44Å; T298-D302 HydrophobicContact CG2-CB 3.75Å; T298-C303 HydrophobicContact CG2-CB 3.9Å
299I97.9Very high96.9Very high98 Ų9850.7 Ų50.750%0.50330%0.296SS..PPolyproline II helixtrans-79.8158.1172.862.3173000111.1S301 D302 C303I299-S301 VanDerWaalsContact C-N 3.34Å; I299-S301 VanDerWaalsContact CD1-OG 3.25Å; I299-S301 WeakPolarHBondContact CD1-OG 3.45Å; I299-S301 PolarHBondContact O-N 3.42Å; I299-D302 HydrophobicContact CG1-CB 3.86Å; I299-D302 VanDerWaalsContact CG1-CG 3.44Å; I299-D302 WeakPolarHBondContact CG1-OD2 3.39Å; I299-D302 PolarHBondContact O-N 3.17Å; I299-C303 PolarHBondContact O-N 3.37Å
300V98.2Very high97Very high39 Ų3952.8 Ų52.824%0.23631%0.305CS..Hα-helixtrans-54.5-48.1-174.5178.20000112F243 L245 D302 C303 T304F243-V300 HydrophobicContact CB-CG2 4.41Å; F243-V300 HydrophobicContact CD1-CB 4.47Å; F243-V300 HydrophobicContact CD1-CG2 3.36Å; F243-V300 HydrophobicContact CD2-CG2 4.48Å; F243-V300 HydrophobicContact CE1-CB 4.33Å; F243-V300 HydrophobicContact CE1-CG2 3.63Å; F243-V300 HydrophobicContact CG-CG2 3.84Å; F243-V300 HydrophobicContact CZ-CG2 4.32Å; L245-V300 HydrophobicContact CD1-CG1 4.11Å; L245-V300 HydrophobicContact CD1-CG2 4.19Å; L245-V300 HydrophobicContact CD2-CG2 4.3Å; V300-D302 VanDerWaalsContact C-N 3.34Å; V300-D302 PolarHBondContact O-N 3.18Å; V300-C303 WeakPolarHBondContact O-CB 3.34Å; V300-C303 PolarHBondContact O-N 2.84Å; V300-T304 HydrophobicContact CG1-CG2 4.23Å; V300-T304 WeakPolarHBondContact O-CG2 3.32Å; V300-T304 PolarHBondContact O-N 3.13Å; V300-T304 PolarHBondContact O-OG1 2.65Å
301S97.3Very high97.1Very high59 Ų5949 Ų4941%0.41329%0.286SS..Hα-helixtrans-59.9-41.1-178.354.90000113.1I299 T304 Q305I299-S301 VanDerWaalsContact C-N 3.34Å; I299-S301 VanDerWaalsContact CD1-OG 3.25Å; I299-S301 WeakPolarHBondContact CD1-OG 3.45Å; I299-S301 PolarHBondContact O-N 3.42Å; S301-T304 PolarHBondContact O-N 3.37Å; S301-T304 PolarHBondContact O-OG1 3.41Å; S301-T304 VanDerWaalsContact O-OG1 3.09Å; S301-Q305 WeakPolarHBondContact O-CB 3.34Å; S301-Q305 PolarHBondContact O-N 3.04Å
302D98.5Very high97.2Very high85 Ų8547.5 Ų47.546%0.45526%0.262SS..Hα-helixtrans-70.7-40.8-179.4-68.73.4000110.5T298 I299 V300 N306T298-D302 HydrophobicContact CG2-CB 3.75Å; I299-D302 HydrophobicContact CG1-CB 3.86Å; I299-D302 VanDerWaalsContact CG1-CG 3.44Å; I299-D302 WeakPolarHBondContact CG1-OD2 3.39Å; I299-D302 PolarHBondContact O-N 3.17Å; V300-D302 VanDerWaalsContact C-N 3.34Å; V300-D302 PolarHBondContact O-N 3.18Å; D302-N306 WeakPolarHBondContact O-CB 3.45Å; D302-N306 PolarHBondContact O-N 3.08Å; D302-N306 PolarHBondContact O-ND2 2.89Å; D302-N306 PolarHBondContact O-OD1 3.43Å
303C98.7Very high97.2Very high1 Ų149 Ų491%0.00727%0.272CS..Hα-helixtrans-59.2-51.7173.4175.90000110.7Y215 F243 T298 I299 V300 Q305 N306 L307Y215-C303 HydrophobicContact CD1-CB 4.48Å; Y215-C303 HydrophobicContact CD2-CB 4.36Å; Y215-C303 WeakPolarHBondContact CD2-SG 3.35Å; Y215-C303 HydrophobicContact CG-CB 4.19Å; F243-C303 HydrophobicContact CE2-CB 3.9Å; F243-C303 HydrophobicContact CZ-CB 3.81Å; T298-C303 HydrophobicContact CG2-CB 3.9Å; I299-C303 PolarHBondContact O-N 3.37Å; V300-C303 WeakPolarHBondContact O-CB 3.34Å; V300-C303 PolarHBondContact O-N 2.84Å; C303-Q305 PolarHBondContact O-N 3.2Å; C303-N306 PolarHBondContact O-N 2.85Å; C303-L307 VanDerWaalsContact O-CG 3.29Å; C303-L307 WeakPolarHBondContact O-CG 3.36Å; C303-L307 PolarHBondContact O-N 3.4Å
304T98.5Very high97.2Very high0 Ų048.2 Ų48.20%027%0.27CS..Hα-helixtrans-65.9-38.7-178.455.70000112.2W183 S253 C257 V300 S301 L307 C308W183-T304 HydrophobicContact CH2-CG2 3.56Å; W183-T304 HydrophobicContact CZ3-CG2 4.18Å; S253-T304 VanDerWaalsContact OG-CG2 3.28Å; S253-T304 WeakPolarHBondContact OG-CG2 3.31Å; S253-T304 PolarHBondContact OG-OG1 3.25Å; C257-T304 PolarHBondContact SG-OG1 3.32Å; V300-T304 HydrophobicContact CG1-CG2 4.23Å; V300-T304 WeakPolarHBondContact O-CG2 3.32Å; V300-T304 PolarHBondContact O-N 3.13Å; V300-T304 PolarHBondContact O-OG1 2.65Å; S301-T304 PolarHBondContact O-N 3.37Å; S301-T304 PolarHBondContact O-OG1 3.41Å; S301-T304 VanDerWaalsContact O-OG1 3.09Å; T304-L307 PolarHBondContact O-N 3.36Å; T304-C308 WeakPolarHBondContact O-CB 3.49Å; T304-C308 PolarHBondContact O-N 3.49Å; T304-C308 PolarHBondContact O-SG 2.94Å
305Q98.6Very high97.4Very high68 Ų6841.7 Ų41.732%0.31823%0.225SC..Hα-helixtrans-62.4-45.7175.6-173.767.66800111.6S301 C303 L307 C308 N309S301-Q305 WeakPolarHBondContact O-CB 3.34Å; S301-Q305 PolarHBondContact O-N 3.04Å; C303-Q305 PolarHBondContact O-N 3.2Å; Q305-L307 VanDerWaalsContact C-N 3.35Å; Q305-L307 PolarHBondContact O-N 3.03Å; Q305-C308 PolarHBondContact O-N 3.41Å; Q305-N309 PolarHBondContact NE2-ND2 3.32Å; Q305-N309 PolarHBondContact NE2-OD1 3.25Å; Q305-N309 VanDerWaalsContact O-CB 3.32Å; Q305-N309 WeakPolarHBondContact O-CB 3.48Å; Q305-N309 PolarHBondContact O-N 2.78Å; Q305-N309 PolarHBondContact O-ND2 3.35Å; Q305-N309 PolarHBondContact O-OD1 2.88Å
306N98.6Very high97.4Very high70 Ų7044.2 Ų44.237%0.37424%0.236SC..Hα-helixtrans-61-44.2178.7-72.5-12000111.7Y215 D302 C303 N309 F310Y215-N306 WeakPolarHBondContact OH-CB 3.47Å; Y215-N306 PolarHBondContact OH-ND2 3.29Å; Y215-N306 VanDerWaalsContact OH-ND2 3.12Å; D302-N306 WeakPolarHBondContact O-CB 3.45Å; D302-N306 PolarHBondContact O-N 3.08Å; D302-N306 PolarHBondContact O-ND2 2.89Å; D302-N306 PolarHBondContact O-OD1 3.43Å; C303-N306 PolarHBondContact O-N 2.85Å; N306-N309 PolarHBondContact O-N 3.22Å; N306-F310 WeakPolarHBondContact O-CB 3.28Å; N306-F310 PolarHBondContact O-N 3.35Å
307L98.8Very high97.5Very high0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-66.7-46.9178.6-64.8171.2000111.6L174 E176 W183 Y215 C303 T304 Q305 N309 F310 Y311L174-L307 HydrophobicContact CB-CD1 3.76Å; E176-L307 HydrophobicContact CG-CD2 4.27Å; E176-L307 VanDerWaalsContact N-CD2 3.32Å; W183-L307 HydrophobicContact CD2-CB 4.04Å; W183-L307 HydrophobicContact CD2-CD1 3.82Å; W183-L307 VanDerWaalsContact CE2-CB 3.42Å; W183-L307 HydrophobicContact CE3-CD1 3.76Å; W183-L307 HydrophobicContact CH2-CB 4.33Å; W183-L307 HydrophobicContact CH2-CD1 4.06Å; W183-L307 HydrophobicContact CZ2-CB 3.59Å; W183-L307 HydrophobicContact CZ2-CD1 4.1Å; W183-L307 HydrophobicContact CZ3-CD1 3.88Å; Y215-L307 HydrophobicContact CE2-CD2 4.24Å; Y215-L307 HydrophobicContact CE2-CG 4.41Å; C303-L307 VanDerWaalsContact O-CG 3.29Å; C303-L307 WeakPolarHBondContact O-CG 3.36Å; C303-L307 PolarHBondContact O-N 3.4Å; T304-L307 PolarHBondContact O-N 3.36Å; Q305-L307 VanDerWaalsContact C-N 3.35Å; Q305-L307 PolarHBondContact O-N 3.03Å; L307-N309 VanDerWaalsContact C-N 3.31Å; L307-N309 PolarHBondContact O-N 3.42Å; L307-F310 PolarHBondContact O-N 3.22Å; L307-Y311 HydrophobicContact CD2-CE2 4.48Å; L307-Y311 WeakPolarHBondContact O-CD2 3.5Å; L307-Y311 PolarHBondContact O-N 3.33Å
308C98.6Very high97.4Very high1 Ų142.1 Ų42.11%0.00723%0.225CC..Hα-helixtrans-56.5-46.9176-74.70000111.6Q187 C257 L258 T304 Q305 Y311 N312Q187-C308 PolarHBondContact NE2-O 2.98Å; C257-C308 HydrophobicContact CB-CB 4.44Å; L258-C308 HydrophobicContact CD2-CB 3.81Å; L258-C308 HydrophobicContact CG-CB 4.41Å; T304-C308 WeakPolarHBondContact O-CB 3.49Å; T304-C308 PolarHBondContact O-N 3.49Å; T304-C308 PolarHBondContact O-SG 2.94Å; Q305-C308 PolarHBondContact O-N 3.41Å; C308-Y311 PolarHBondContact O-N 3.27Å; C308-N312 WeakPolarHBondContact O-CB 3.23Å; C308-N312 PolarHBondContact O-N 3.02Å; C308-N312 PolarHBondContact O-ND2 2.97Å
309N98.2Very high97.2Very high75 Ų7544.3 Ų44.340%0.40124%0.239SC..Hα-helixtrans-62.5-47.3177.5-70.3-9.3000111.6Q305 N306 L307 Y311 N312 E313Q305-N309 PolarHBondContact NE2-ND2 3.32Å; Q305-N309 PolarHBondContact NE2-OD1 3.25Å; Q305-N309 VanDerWaalsContact O-CB 3.32Å; Q305-N309 WeakPolarHBondContact O-CB 3.48Å; Q305-N309 PolarHBondContact O-N 2.78Å; Q305-N309 PolarHBondContact O-ND2 3.35Å; Q305-N309 PolarHBondContact O-OD1 2.88Å; N306-N309 PolarHBondContact O-N 3.22Å; L307-N309 VanDerWaalsContact C-N 3.31Å; L307-N309 PolarHBondContact O-N 3.42Å; N309-Y311 VanDerWaalsContact C-N 3.33Å; N309-Y311 PolarHBondContact O-N 2.93Å; N309-N312 PolarHBondContact O-N 3.37Å; N309-E313 PolarHBondContact O-N 3.35Å; N309-E313 VanDerWaalsContact O-N 3.13Å
310F98Very high96.9Very high44 Ų4447.1 Ų47.119%0.19325%0.25CC..Hα-helixtrans-56.6-48.2177.5176.3-92.5000111.1W37 E176 R177 N306 L307 E313 A314 F318W37-F310 HydrophobicContact CE3-CE1 4.33Å; W37-F310 HydrophobicContact CE3-CZ 4.06Å; W37-F310 HydrophobicContact CH2-CE1 4.43Å; W37-F310 AromaticContact CZ3-CE1 3.98Å; W37-F310 HydrophobicContact CZ3-CE1 3.98Å; W37-F310 HydrophobicContact CZ3-CZ 4.17Å; E176-F310 HydrophobicContact CB-CB 4.42Å; E176-F310 HydrophobicContact CB-CD1 3.88Å; E176-F310 HydrophobicContact CB-CD2 3.72Å; E176-F310 HydrophobicContact CB-CE1 4.07Å; E176-F310 HydrophobicContact CB-CE2 3.91Å; E176-F310 HydrophobicContact CB-CG 3.71Å; E176-F310 HydrophobicContact CB-CZ 4.1Å; E176-F310 HydrophobicContact CG-CB 3.7Å; E176-F310 HydrophobicContact CG-CD1 4.09Å; E176-F310 HydrophobicContact CG-CD2 3.68Å; E176-F310 HydrophobicContact CG-CE2 4.38Å; E176-F310 HydrophobicContact CG-CG 3.52Å; R177-F310 HydrophobicContact CG-CE1 4.32Å; R177-F310 HydrophobicContact CG-CE2 4.12Å; R177-F310 HydrophobicContact CG-CZ 3.54Å; N306-F310 WeakPolarHBondContact O-CB 3.28Å; N306-F310 PolarHBondContact O-N 3.35Å; L307-F310 PolarHBondContact O-N 3.22Å; F310-E313 PolarHBondContact O-N 3Å; F310-A314 HydrophobicContact CD1-CB 4.34Å; F310-A314 HydrophobicContact CE1-CB 4.02Å; F310-A314 HydrophobicContact CZ-CB 4.47Å; F310-A314 VanDerWaalsContact O-CB 3.24Å; F310-A314 WeakPolarHBondContact O-CB 3.46Å; F310-A314 PolarHBondContact O-N 3.26Å; F310-F318 HydrophobicContact CZ-CE2 4.25Å
311Y97.9Very high96.8Very high0 Ų046.5 Ų46.50%024%0.244CC..Hα-helixtrans-75.6-24.8-176.5-74.9-65.9000114.1W37 A175 D178 W183 W184 L307 C308 N309 E313 A314 I315W37-Y311 AromaticContact CH2-CE1 3.89Å; W37-Y311 HydrophobicContact CH2-CE1 3.89Å; A175-Y311 PolarHBondContact O-OH 3.1Å; D178-Y311 PolarHBondContact N-OH 3.45Å; W183-Y311 HydrophobicContact CB-CE2 4.23Å; W183-Y311 AromaticContact CD1-CD2 3.19Å; W183-Y311 AromaticContact CD1-CE2 3.29Å; W183-Y311 HydrophobicContact CG-CD2 4.23Å; W183-Y311 AromaticContact CG-CE2 3.93Å; W183-Y311 HydrophobicContact CG-CE2 3.93Å; W183-Y311 AromaticContact NE1-CD2 3.62Å; W184-Y311 HydrophobicContact CB-CD1 3.75Å; W184-Y311 HydrophobicContact CB-CE1 3.66Å; W184-Y311 HydrophobicContact CB-CG 4.22Å; W184-Y311 AromaticContact CD1-CD1 3.66Å; W184-Y311 AromaticContact CD1-CG 3.89Å; W184-Y311 AromaticContact CD2-CD1 3.36Å; W184-Y311 HydrophobicContact CD2-CD1 3.36Å; W184-Y311 AromaticContact CD2-CE1 3.69Å; W184-Y311 HydrophobicContact CD2-CE1 3.69Å; W184-Y311 HydrophobicContact CD2-CG 4.33Å; W184-Y311 AromaticContact CE2-CD1 3.75Å; W184-Y311 AromaticContact CE3-CD1 3.85Å; W184-Y311 HydrophobicContact CE3-CD1 3.85Å; W184-Y311 AromaticContact CE3-CE1 3.76Å; W184-Y311 HydrophobicContact CE3-CE1 3.76Å; W184-Y311 AromaticContact CG-CD1 3.33Å; W184-Y311 HydrophobicContact CG-CD1 3.33Å; W184-Y311 AromaticContact CG-CE1 3.69Å; W184-Y311 HydrophobicContact CG-CE1 3.69Å; W184-Y311 AromaticContact CG-CG 3.92Å; W184-Y311 HydrophobicContact CG-CG 3.92Å; W184-Y311 HydrophobicContact CZ2-CD1 4.48Å; W184-Y311 AromaticContact NE1-CD1 3.89Å; L307-Y311 HydrophobicContact CD2-CE2 4.48Å; L307-Y311 WeakPolarHBondContact O-CD2 3.5Å; L307-Y311 PolarHBondContact O-N 3.33Å; C308-Y311 PolarHBondContact O-N 3.27Å; N309-Y311 VanDerWaalsContact C-N 3.33Å; N309-Y311 PolarHBondContact O-N 2.93Å; Y311-E313 VanDerWaalsContact C-N 3.34Å; Y311-A314 HydrophobicContact CD1-CB 4.15Å; Y311-A314 PolarHBondContact O-N 2.99Å; Y311-I315 PolarHBondContact O-N 3.14Å
312N96.3Very high96.7Very high38 Ų3844.9 Ų44.920%0.20323%0.229CC..Hα-helixtrans-65-37.3168.4-76.2-17.2000112.1Q187 Q191 C308 N309 I315Q187-N312 PolarHBondContact NE2-OD1 3.45Å; Q191-N312 PolarHBondContact NE2-OD1 2.97Å; C308-N312 WeakPolarHBondContact O-CB 3.23Å; C308-N312 PolarHBondContact O-N 3.02Å; C308-N312 PolarHBondContact O-ND2 2.97Å; N309-N312 PolarHBondContact O-N 3.37Å; N312-I315 VanDerWaalsContact O-CG2 3.23Å; N312-I315 WeakPolarHBondContact O-CG2 3.23Å
313E95.9Very high96.6Very high116 Ų11644.3 Ų44.354%0.54223%0.227SC..Hα-helixtrans-78.5-34.9172.6-65.9-53.7127.600111.7N309 F310 Y311 I315 K316 S317N309-E313 PolarHBondContact O-N 3.35Å; N309-E313 VanDerWaalsContact O-N 3.13Å; F310-E313 PolarHBondContact O-N 3Å; Y311-E313 VanDerWaalsContact C-N 3.34Å; E313-I315 VanDerWaalsContact C-N 3.32Å; E313-I315 PolarHBondContact O-N 3.47Å; E313-K316 PolarHBondContact O-N 3.43Å; E313-K316 VanDerWaalsContact O-N 3.14Å; E313-S317 WeakPolarHBondContact O-CB 3.42Å; E313-S317 PolarHBondContact O-N 3.45Å; E313-S317 PolarHBondContact O-OG 3.27Å; E313-S317 VanDerWaalsContact O-OG 3.08Å
314A96.4Very high96.4Very high1 Ų149.5 Ų49.51%0.00825%0.251CS..Hα-helixtrans-66.4-35-176.300000112.8W37 W184 F310 Y311 K316 S317 F318W37-A314 HydrophobicContact CZ3-CB 4.15Å; W184-A314 HydrophobicContact CH2-CB 4.26Å; W184-A314 HydrophobicContact CZ2-CB 4.22Å; F310-A314 HydrophobicContact CD1-CB 4.34Å; F310-A314 HydrophobicContact CE1-CB 4.02Å; F310-A314 HydrophobicContact CZ-CB 4.47Å; F310-A314 VanDerWaalsContact O-CB 3.24Å; F310-A314 WeakPolarHBondContact O-CB 3.46Å; F310-A314 PolarHBondContact O-N 3.26Å; Y311-A314 HydrophobicContact CD1-CB 4.15Å; Y311-A314 PolarHBondContact O-N 2.99Å; A314-K316 PolarHBondContact O-N 3.43Å; A314-S317 PolarHBondContact O-N 3.32Å; A314-F318 HydrophobicContact CB-CD2 3.69Å; A314-F318 HydrophobicContact CB-CE2 4.32Å; A314-F318 WeakPolarHBondContact O-CB 3.48Å; A314-F318 PolarHBondContact O-N 3.04Å
315I95.9Very high96.3Very high0 Ų049.5 Ų49.50%025%0.251CS..Hα-helixtrans-58.5-30.4176.1-155175.4000111.8W184 F192 Y311 N312 E313 R322 I347 F350 C351W184-I315 HydrophobicContact CZ2-CB 4.09Å; W184-I315 HydrophobicContact CZ2-CG1 4.32Å; F192-I315 HydrophobicContact CE2-CD1 3.87Å; F192-I315 HydrophobicContact CZ-CD1 4.1Å; Y311-I315 PolarHBondContact O-N 3.14Å; N312-I315 VanDerWaalsContact O-CG2 3.23Å; N312-I315 WeakPolarHBondContact O-CG2 3.23Å; E313-I315 VanDerWaalsContact C-N 3.32Å; E313-I315 PolarHBondContact O-N 3.47Å; I315-R322 HydrophobicContact CG1-CG 3.98Å; I315-R322 WeakPolarHBondContact O-CD 3.47Å; I315-I347 HydrophobicContact CD1-CG1 4.38Å; I315-I347 HydrophobicContact CD1-CG2 3.92Å; I315-I347 HydrophobicContact CG1-CG2 3.95Å; I315-F350 HydrophobicContact CD1-CD1 4.48Å; I315-F350 HydrophobicContact CG2-CD1 3.85Å; I315-F350 HydrophobicContact CG2-CE1 3.62Å; I315-C351 PolarHBondContact O-SG 2.94Å
316K94.5Very high96.2Very high66 Ų6646.5 Ų46.529%0.28724%0.237SC..Hα-helixtrans-85.3-45.7175-50.7-168.4-179.1-173.90111.7E313 A314 Q353E313-K316 PolarHBondContact O-N 3.43Å; E313-K316 VanDerWaalsContact O-N 3.14Å; A314-K316 PolarHBondContact O-N 3.43Å; K316-Q353 PolarHBondContact NZ-O 3.27Å
317S94.4Very high96.1Very high76 Ų7645.4 Ų45.453%0.53124%0.238SC..Hα-helixtrans-86.3-20-166.2-55.80000115.1E313 A314 P319E313-S317 WeakPolarHBondContact O-CB 3.42Å; E313-S317 PolarHBondContact O-N 3.45Å; E313-S317 PolarHBondContact O-OG 3.27Å; E313-S317 VanDerWaalsContact O-OG 3.08Å; A314-S317 PolarHBondContact O-N 3.32Å; S317-P319 WeakPolarHBondContact O-CD 3.46Å
318F95Very high96Very high31 Ų3147.5 Ų47.514%0.13625%0.252CS..  trans-125.374.5-174.1-62.3-70.3000111.1W37 N38 F310 A314 E320 E321 R322W37-F318 HydrophobicContact CB-CD1 4.4Å; W37-F318 HydrophobicContact CB-CE1 4.03Å; W37-F318 HydrophobicContact CB-CZ 4.38Å; W37-F318 HydrophobicContact CE3-CB 4.14Å; W37-F318 HydrophobicContact CE3-CD1 4.04Å; W37-F318 AromaticContact CE3-CD2 3.61Å; W37-F318 HydrophobicContact CE3-CD2 3.61Å; W37-F318 HydrophobicContact CE3-CE1 4.38Å; W37-F318 AromaticContact CE3-CE2 3.99Å; W37-F318 HydrophobicContact CE3-CE2 3.99Å; W37-F318 AromaticContact CE3-CG 3.66Å; W37-F318 HydrophobicContact CE3-CG 3.66Å; W37-F318 HydrophobicContact CE3-CZ 4.37Å; W37-F318 HydrophobicContact CZ3-CB 4.18Å; W37-F318 AromaticContact CZ3-CD2 3.89Å; W37-F318 HydrophobicContact CZ3-CD2 3.89Å; W37-F318 HydrophobicContact CZ3-CG 4.08Å; N38-F318 HydrophobicContact CB-CE1 4.03Å; N38-F318 HydrophobicContact CB-CZ 4.03Å; F310-F318 HydrophobicContact CZ-CE2 4.25Å; A314-F318 HydrophobicContact CB-CD2 3.69Å; A314-F318 HydrophobicContact CB-CE2 4.32Å; A314-F318 WeakPolarHBondContact O-CB 3.48Å; A314-F318 PolarHBondContact O-N 3.04Å; F318-E320 VanDerWaalsContact C-N 3.34Å; F318-E320 PolarHBondContact O-N 2.92Å; F318-E321 HydrophobicContact CB-CB 4.33Å; F318-E321 WeakPolarHBondContact CB-OE2 3.3Å; F318-E321 PolarHBondContact O-N 3.45Å; F318-R322 WeakPolarHBondContact O-CB 3.5Å; F318-R322 PolarHBondContact O-N 3.26Å
319P94.1Very high96Very high63 Ų6347.4 Ų47.441%0.40925%0.252SS..Hα-helixtrans-65.3-33.1-17325.5-34.9000113.6S317 D323S317-P319 WeakPolarHBondContact O-CD 3.46Å; P319-D323 WeakPolarHBondContact O-CB 3.49Å; P319-D323 PolarHBondContact O-N 3.34Å
320E93.5Very high95.9Very high156 Ų15644.3 Ų44.373%0.72924%0.236SC*.Hα-helixtrans-67-51.8178-65.8-177.5-173.600110.8F318 R322 D323 E324F318-E320 VanDerWaalsContact C-N 3.34Å; F318-E320 PolarHBondContact O-N 2.92Å; E320-R322 VanDerWaalsContact C-N 3.3Å; E320-R322 PolarHBondContact O-N 2.99Å; E320-D323 PolarHBondContact O-N 2.64Å; E320-E324 PolarHBondContact O-N 3.33Å; E320-E324 VanDerWaalsContact O-N 3.14Å
321E95Very high95.8Very high26 Ų2649.5 Ų49.512%0.12126%0.261CS..Hα-helixtrans-64.8-36.5178.9-66.985.716600112W37 K181 W184 F318 V325W37-E321 WeakPolarHBondContact CA-OE1 3.46Å; W37-E321 HydrophobicContact CD2-CG 4.07Å; W37-E321 HydrophobicContact CE3-CB 4.49Å; W37-E321 HydrophobicContact CE3-CG 4.21Å; W37-E321 HydrophobicContact CH2-CB 3.97Å; W37-E321 HydrophobicContact CH2-CG 4.21Å; W37-E321 HydrophobicContact CZ2-CB 4.28Å; W37-E321 HydrophobicContact CZ2-CG 4.09Å; W37-E321 HydrophobicContact CZ3-CB 4.09Å; W37-E321 HydrophobicContact CZ3-CG 4.27Å; W37-E321 PolarHBondContact N-OE1 2.76Å; K181-E321 PolarHBondContact NZ-O 3.38Å; K181-E321 VanDerWaalsContact NZ-O 3.14Å; W184-E321 HydrophobicContact CH2-CB 4.4Å; W184-E321 HydrophobicContact CZ3-CB 3.8Å; F318-E321 HydrophobicContact CB-CB 4.33Å; F318-E321 WeakPolarHBondContact CB-OE2 3.3Å; F318-E321 PolarHBondContact O-N 3.45Å; E321-V325 PolarHBondContact O-N 2.94Å
322R95.7Very high95.7Very high25 Ų2554.2 Ų54.29%0.09428%0.282CS..Hα-helixtrans-59-52.8173.1178.2-163.875.2-152.4-9.8111.5W184 I315 F318 E320 E324 V325 V326 I347W184-R322 VanDerWaalsContact CH2-CA 3.42Å; W184-R322 HydrophobicContact CH2-CB 3.77Å; W184-R322 HydrophobicContact CZ2-CB 4.15Å; W184-R322 HydrophobicContact CZ2-CG 4.47Å; I315-R322 HydrophobicContact CG1-CG 3.98Å; I315-R322 WeakPolarHBondContact O-CD 3.47Å; F318-R322 WeakPolarHBondContact O-CB 3.5Å; F318-R322 PolarHBondContact O-N 3.26Å; E320-R322 VanDerWaalsContact C-N 3.3Å; E320-R322 PolarHBondContact O-N 2.99Å; R322-E324 VanDerWaalsContact C-N 3.25Å; R322-E324 PolarHBondContact O-N 3.41Å; R322-V325 WeakPolarHBondContact O-CG1 3.19Å; R322-V325 PolarHBondContact O-N 3.15Å; R322-V326 HydrophobicContact CG-CG2 4.38Å; R322-V326 VanDerWaalsContact O-CG2 3.28Å; R322-V326 WeakPolarHBondContact O-CG2 3.42Å; R322-V326 PolarHBondContact O-N 2.97Å; R322-I347 HydrophobicContact CG-CG2 4.14Å
323D95.2Very high95.7Very high74 Ų7452.6 Ų52.640%0.39627%0.274SS..Hα-helixtrans-65-35.8-174.6-72.8-1.4000110.8P319 E320 A327P319-D323 WeakPolarHBondContact O-CB 3.49Å; P319-D323 PolarHBondContact O-N 3.34Å; E320-D323 PolarHBondContact O-N 2.64Å; D323-A327 WeakPolarHBondContact O-CB 3.28Å; D323-A327 PolarHBondContact O-N 3.18Å
324E95.4Very high95.7Very high110 Ų11055 Ų5551%0.51429%0.285SS..Hα-helixtrans-68.8-42.1174.6-176.7-164.2144.500112.3K181 E320 R322 A327 S328K181-E324 IonicContact NZ-OE1 2.64Å; K181-E324 PolarHBondContact NZ-OE1 3.24Å; K181-E324 IonicContact NZ-OE2 3.34Å; K181-E324 PolarHBondContact NZ-OE2 2.89Å; E320-E324 PolarHBondContact O-N 3.33Å; E320-E324 VanDerWaalsContact O-N 3.14Å; R322-E324 VanDerWaalsContact C-N 3.25Å; R322-E324 PolarHBondContact O-N 3.41Å; E324-A327 PolarHBondContact O-N 3.24Å; E324-S328 WeakPolarHBondContact O-CB 3.48Å; E324-S328 PolarHBondContact O-N 3.22Å
325V96.8Very high95.7Very high0 Ų055.9 Ų55.90%029%0.29CS..Hα-helixtrans-66.7-38.3176.668.30000112K181 W184 Q185 I188 E321 R322 S328 L329K181-V325 HydrophobicContact CB-CB 4.32Å; K181-V325 HydrophobicContact CB-CG2 3.88Å; K181-V325 HydrophobicContact CD-CB 4.01Å; K181-V325 HydrophobicContact CD-CG2 4.46Å; W184-V325 HydrophobicContact CB-CG2 4.17Å; W184-V325 HydrophobicContact CD2-CB 4.36Å; W184-V325 HydrophobicContact CD2-CG1 3.68Å; W184-V325 HydrophobicContact CD2-CG2 4.38Å; W184-V325 HydrophobicContact CE3-CB 4.04Å; W184-V325 HydrophobicContact CE3-CG1 3.6Å; W184-V325 HydrophobicContact CE3-CG2 4.4Å; W184-V325 HydrophobicContact CG-CG1 4.29Å; W184-V325 HydrophobicContact CG-CG2 4.29Å; W184-V325 HydrophobicContact CH2-CG1 4.22Å; W184-V325 HydrophobicContact CZ2-CG1 4.26Å; W184-V325 HydrophobicContact CZ3-CG1 3.88Å; Q185-V325 HydrophobicContact CB-CG2 4.43Å; Q185-V325 HydrophobicContact CG-CG2 3.51Å; I188-V325 HydrophobicContact CD1-CG1 3.45Å; I188-V325 VanDerWaalsContact CD1-CG1 3.45Å; I188-V325 HydrophobicContact CD1-CG2 4.29Å; E321-V325 PolarHBondContact O-N 2.94Å; R322-V325 WeakPolarHBondContact O-CG1 3.19Å; R322-V325 PolarHBondContact O-N 3.15Å; V325-S328 PolarHBondContact O-N 3.24Å; V325-L329 WeakPolarHBondContact O-CB 3.11Å; V325-L329 PolarHBondContact O-N 3.41Å
326V96.9Very high95.7Very high4 Ų458.3 Ų58.32%0.02431%0.307CS..Hα-helixtrans-67-42.1178.1173.10000110.2I188 R322 L329 C330 L343 K344 I347I188-V326 HydrophobicContact CD1-CG2 4.03Å; R322-V326 HydrophobicContact CG-CG2 4.38Å; R322-V326 VanDerWaalsContact O-CG2 3.28Å; R322-V326 WeakPolarHBondContact O-CG2 3.42Å; R322-V326 PolarHBondContact O-N 2.97Å; V326-L329 PolarHBondContact O-N 3.43Å; V326-C330 WeakPolarHBondContact O-CB 3.3Å; V326-C330 PolarHBondContact O-N 2.83Å; V326-C330 PolarHBondContact O-SG 3.44Å; V326-L343 HydrophobicContact CG1-CD2 4.27Å; V326-K344 HydrophobicContact CG1-CG 3.96Å; V326-I347 HydrophobicContact CG1-CD1 4.24Å; V326-I347 HydrophobicContact CG2-CD1 3.41Å; V326-I347 VanDerWaalsContact CG2-CD1 3.41Å
327A96Very high95.7Very high48 Ų4860.2 Ų60.240%0.39733%0.326SS..Hα-helixtrans-60.7-48.7175.600000111.7D323 E324 L329 C330 E331D323-A327 WeakPolarHBondContact O-CB 3.28Å; D323-A327 PolarHBondContact O-N 3.18Å; E324-A327 PolarHBondContact O-N 3.24Å; A327-L329 PolarHBondContact O-N 3.23Å; A327-C330 PolarHBondContact O-N 2.9Å; A327-E331 PolarHBondContact O-N 3.35Å; A327-E331 VanDerWaalsContact O-N 3.09Å
328S96.6Very high95.7Very high43 Ų4363.3 Ų63.330%0.30133%0.332SS..Hα-helixtrans-57.9-48.5176.6-171.20000111.5Q185 E324 V325 C330 E331 E332Q185-S328 PolarHBondContact OE1-OG 2.74Å; E324-S328 WeakPolarHBondContact O-CB 3.48Å; E324-S328 PolarHBondContact O-N 3.22Å; V325-S328 PolarHBondContact O-N 3.24Å; S328-C330 PolarHBondContact O-N 3.16Å; S328-E331 PolarHBondContact O-N 3.21Å; S328-E332 WeakPolarHBondContact O-CB 3.29Å; S328-E332 VanDerWaalsContact O-CG 3.3Å; S328-E332 WeakPolarHBondContact O-CG 3.27Å; S328-E332 PolarHBondContact O-N 3.1Å
329L97.4Very high95.7Very high0 Ų063.4 Ų63.40%034%0.335CS..Hα-helixtrans-62.6-41.8180-178.766.3000111.9Q185 I188 W189 I196 F275 V325 V326 A327 E331 L333Q185-L329 HydrophobicContact CB-CD1 4.16Å; Q185-L329 HydrophobicContact CG-CB 4.47Å; I188-L329 HydrophobicContact CB-CD2 3.95Å; I188-L329 HydrophobicContact CG2-CD2 3.57Å; W189-L329 HydrophobicContact CB-CD1 4.28Å; W189-L329 HydrophobicContact CB-CD2 4.19Å; I196-L329 HydrophobicContact CD1-CD2 4.26Å; F275-L329 HydrophobicContact CE2-CD1 4.16Å; F275-L329 HydrophobicContact CZ-CD1 4.06Å; V325-L329 WeakPolarHBondContact O-CB 3.11Å; V325-L329 PolarHBondContact O-N 3.41Å; V326-L329 PolarHBondContact O-N 3.43Å; A327-L329 PolarHBondContact O-N 3.23Å; L329-E331 VanDerWaalsContact C-N 3.29Å; L329-E331 PolarHBondContact O-N 2.84Å; L329-L333 HydrophobicContact CD1-CD1 3.71Å; L329-L333 HydrophobicContact CD1-CG 3.82Å; L329-L333 HydrophobicContact CG-CD1 3.92Å; L329-L333 HydrophobicContact CG-CG 4.25Å; L329-L333 VanDerWaalsContact O-CB 3.27Å; L329-L333 WeakPolarHBondContact O-CB 3.49Å; L329-L333 VanDerWaalsContact O-CG 3.29Å; L329-L333 WeakPolarHBondContact O-CG 3.47Å; L329-L333 PolarHBondContact O-N 3.34Å
330C97.1Very high95.8Very high9 Ų961.4 Ų61.46%0.06132%0.321CS..Hα-helixtrans-62.8-36.7177.2-71.90000112.5V326 A327 S328 E334 L335 T340V326-C330 WeakPolarHBondContact O-CB 3.3Å; V326-C330 PolarHBondContact O-N 2.83Å; V326-C330 PolarHBondContact O-SG 3.44Å; A327-C330 PolarHBondContact O-N 2.9Å; S328-C330 PolarHBondContact O-N 3.16Å; C330-E334 PolarHBondContact O-N 3.09Å; C330-E334 VanDerWaalsContact O-N 3.15Å; C330-L335 HydrophobicContact CB-CB 4.46Å; C330-L335 HydrophobicContact CB-CD1 4.34Å; C330-L335 PolarHBondContact O-N 2.97Å; C330-T340 HydrophobicContact CB-CG2 4.26Å
331E96.5Very high95.9Very high154 Ų15458.1 Ų58.172%0.7231%0.309SS*.Hα-helixtrans-69.1-51.4177.1-177.4171.9-169.100111A327 S328 L329 L333 E334A327-E331 PolarHBondContact O-N 3.35Å; A327-E331 VanDerWaalsContact O-N 3.09Å; S328-E331 PolarHBondContact O-N 3.21Å; L329-E331 VanDerWaalsContact C-N 3.29Å; L329-E331 PolarHBondContact O-N 2.84Å; E331-L333 VanDerWaalsContact C-N 3.28Å; E331-L333 PolarHBondContact O-N 2.93Å; E331-E334 PolarHBondContact O-N 3.49Å
332E95.7Very high95.9Very high98 Ų9860.4 Ų60.446%0.45832%0.322SS..Hα-helixtrans-59.2-38.9177.9-70.5-68.9164.300112.4P273 F275 S328 E334P273-E332 WeakPolarHBondContact CG-O 3.42Å; F275-E332 HydrophobicContact CE1-CB 4.22Å; F275-E332 HydrophobicContact CE1-CG 4.05Å; F275-E332 HydrophobicContact CZ-CB 4.27Å; S328-E332 WeakPolarHBondContact O-CB 3.29Å; S328-E332 VanDerWaalsContact O-CG 3.3Å; S328-E332 WeakPolarHBondContact O-CG 3.27Å; S328-E332 PolarHBondContact O-N 3.1Å; E332-E334 VanDerWaalsContact C-N 3.29Å; E332-E334 PolarHBondContact O-N 2.91Å
333L95.9Very high95.9Very high4 Ų459.2 Ų59.22%0.02132%0.318CS..THydrogen-bonded Turntrans-85.85.4176-61.8-172.9000113W189 I196 K198 P273 L329 E331 L335W189-L333 HydrophobicContact CD2-CD1 3.95Å; W189-L333 HydrophobicContact CD2-CD2 4.14Å; W189-L333 HydrophobicContact CE3-CD2 4.17Å; W189-L333 HydrophobicContact CG-CD1 3.99Å; W189-L333 HydrophobicContact CH2-CD2 3.69Å; W189-L333 HydrophobicContact CZ2-CD1 4.41Å; W189-L333 HydrophobicContact CZ2-CD2 3.64Å; W189-L333 HydrophobicContact CZ3-CD2 3.96Å; I196-L333 HydrophobicContact CD1-CD1 4.49Å; I196-L333 HydrophobicContact CG2-CD1 3.7Å; K198-L333 HydrophobicContact CD-CB 4.47Å; K198-L333 WeakPolarHBondContact CE-O 3.36Å; K198-L333 PolarHBondContact NZ-O 3.43Å; P273-L333 HydrophobicContact CB-CD2 3.99Å; P273-L333 HydrophobicContact CG-CD2 3.93Å; L329-L333 HydrophobicContact CD1-CD1 3.71Å; L329-L333 HydrophobicContact CD1-CG 3.82Å; L329-L333 HydrophobicContact CG-CD1 3.92Å; L329-L333 HydrophobicContact CG-CG 4.25Å; L329-L333 VanDerWaalsContact O-CB 3.27Å; L329-L333 WeakPolarHBondContact O-CB 3.49Å; L329-L333 VanDerWaalsContact O-CG 3.29Å; L329-L333 WeakPolarHBondContact O-CG 3.47Å; L329-L333 PolarHBondContact O-N 3.34Å; E331-L333 VanDerWaalsContact C-N 3.28Å; E331-L333 PolarHBondContact O-N 2.93Å; L333-L335 HydrophobicContact CB-CD1 4.46Å; L333-L335 HydrophobicContact CB-CD2 3.74Å; L333-L335 HydrophobicContact CB-CG 3.83Å; L333-L335 PolarHBondContact O-N 3.21Å; L333-L335 VanDerWaalsContact O-N 3.14Å
334E95.6Very high95.9Very high166 Ų16659.1 Ų59.178%0.77631%0.314SS*.THydrogen-bonded Turntrans45.147-179.4-58.5-177.1166.900113.2C330 E331 E332C330-E334 PolarHBondContact O-N 3.09Å; C330-E334 VanDerWaalsContact O-N 3.15Å; E331-E334 PolarHBondContact O-N 3.49Å; E332-E334 VanDerWaalsContact C-N 3.29Å; E332-E334 PolarHBondContact O-N 2.91Å
335L95.9Very high95.8Very high21 Ų2159.7 Ų59.711%0.1132%0.316CS..  trans-74.2144.9-175.3-59.2-174.2000111.5I196 K198 C330 L333 T339 L343I196-L335 HydrophobicContact CG1-CD1 4.24Å; I196-L335 HydrophobicContact CG2-CD1 4.36Å; I196-L335 HydrophobicContact CG2-CD2 4.09Å; K198-L335 HydrophobicContact CD-CD2 4.04Å; C330-L335 HydrophobicContact CB-CB 4.46Å; C330-L335 HydrophobicContact CB-CD1 4.34Å; C330-L335 PolarHBondContact O-N 2.97Å; L333-L335 HydrophobicContact CB-CD1 4.46Å; L333-L335 HydrophobicContact CB-CD2 3.74Å; L333-L335 HydrophobicContact CB-CG 3.83Å; L333-L335 PolarHBondContact O-N 3.21Å; L333-L335 VanDerWaalsContact O-N 3.14Å; L335-T339 HydrophobicContact CB-CG2 4.34Å; L335-T339 HydrophobicContact CD1-CG2 4.17Å; L335-T339 HydrophobicContact CD2-CG2 4.42Å; L335-L343 HydrophobicContact CD1-CD2 4.35Å
336S95.6Very high95.7Very high51 Ų5161.1 Ų61.136%0.35733%0.328SS..  trans-60.9154.5174.482.40000111.1E338 T339 T340S336-E338 PolarHBondContact O-N 2.89Å; S336-T339 PolarHBondContact O-N 3.43Å; S336-T339 WeakPolarHBondContact OG-CB 3.46Å; S336-T339 PolarHBondContact OG-N 2.78Å; S336-T339 PolarHBondContact OG-OG1 3Å; S336-T340 WeakPolarHBondContact O-CB 3.34Å; S336-T340 PolarHBondContact O-N 3.22Å; S336-T340 PolarHBondContact O-OG1 3.23Å
337P94.9Very high95.6Very high105 Ų10561 Ų6168%0.68233%0.328SS*.Hα-helixtrans-56.4-35.3174.8-2735.4000113.3N341P337-N341 WeakPolarHBondContact O-CB 3.39Å; P337-N341 VanDerWaalsContact O-CG 3.24Å; P337-N341 PolarHBondContact O-N 3Å; P337-N341 PolarHBondContact O-ND2 3.45Å
338E95.5Very high95.3Very high141 Ų14165.3 Ų65.366%0.65933%0.333SS*.Hα-helixtrans-65.7-52.1176.5-176.7178177.400111.2S336 T340 N341 N342S336-E338 PolarHBondContact O-N 2.89Å; E338-T340 VanDerWaalsContact C-N 3.29Å; E338-T340 PolarHBondContact O-N 3.24Å; E338-N341 PolarHBondContact O-N 3.22Å; E338-N342 VanDerWaalsContact O-CG 3.28Å; E338-N342 PolarHBondContact O-N 3.32Å
339T95.2Very high95Very high34 Ų3466.1 Ų66.121%0.20934%0.339CS..Hα-helixtrans-57.8-43.1176.4-51.70000111.4L195 L335 S336 N341 N342 L343L195-T339 WeakPolarHBondContact O-CG2 3.28Å; L335-T339 HydrophobicContact CB-CG2 4.34Å; L335-T339 HydrophobicContact CD1-CG2 4.17Å; L335-T339 HydrophobicContact CD2-CG2 4.42Å; S336-T339 PolarHBondContact O-N 3.43Å; S336-T339 WeakPolarHBondContact OG-CB 3.46Å; S336-T339 PolarHBondContact OG-N 2.78Å; S336-T339 PolarHBondContact OG-OG1 3Å; T339-N341 PolarHBondContact O-N 3.18Å; T339-N342 PolarHBondContact O-N 2.96Å; T339-L343 WeakPolarHBondContact O-CB 3.31Å; T339-L343 PolarHBondContact O-N 2.92Å
340T95.8Very high94.5Very high20 Ų2069.4 Ų69.412%0.12335%0.354CS..Hα-helixtrans-61-43.5177.6-670000111.9C330 S336 E338 K344C330-T340 HydrophobicContact CB-CG2 4.26Å; S336-T340 WeakPolarHBondContact O-CB 3.34Å; S336-T340 PolarHBondContact O-N 3.22Å; S336-T340 PolarHBondContact O-OG1 3.23Å; E338-T340 VanDerWaalsContact C-N 3.29Å; E338-T340 PolarHBondContact O-N 3.24Å; T340-K344 HydrophobicContact CG2-CD 4.17Å; T340-K344 VanDerWaalsContact O-CG 3.31Å; T340-K344 WeakPolarHBondContact O-CG 3.37Å; T340-K344 PolarHBondContact O-N 3.37Å
341N95.1Very high94Very high88 Ų8870.4 Ų70.447%0.47136%0.36SS..Hα-helixtrans-66.8-45.7177.6-73.6-22.9000111.3P337 E338 T339 L343 K344 E345P337-N341 WeakPolarHBondContact O-CB 3.39Å; P337-N341 VanDerWaalsContact O-CG 3.24Å; P337-N341 PolarHBondContact O-N 3Å; P337-N341 PolarHBondContact O-ND2 3.45Å; E338-N341 PolarHBondContact O-N 3.22Å; T339-N341 PolarHBondContact O-N 3.18Å; N341-L343 VanDerWaalsContact C-N 3.32Å; N341-L343 PolarHBondContact O-N 3.4Å; N341-K344 PolarHBondContact O-N 2.95Å; N341-E345 WeakPolarHBondContact O-CG 3.44Å; N341-E345 PolarHBondContact O-N 3.48Å
342N94.8Very high93.5Very high74 Ų7467.2 Ų67.240%0.39636%0.355SS..Hα-helixtrans-59.5-42.8177.6-67.5-13.5000111.7E338 T339 E345 A346E338-N342 VanDerWaalsContact O-CG 3.28Å; E338-N342 PolarHBondContact O-N 3.32Å; T339-N342 PolarHBondContact O-N 2.96Å; N342-E345 PolarHBondContact O-N 3.39Å; N342-A346 WeakPolarHBondContact O-CB 3.5Å; N342-A346 PolarHBondContact O-N 2.9Å
343L96Very high92.5Very high0 Ų068.1 Ų68.10%036%0.359CS..Hα-helixtrans-61.9-47.4175.9179.661.5000111.6F192 I196 V326 L335 T339 N341 E345 A346 I347F192-L343 HydrophobicContact CB-CD1 3.44Å; F192-L343 VanDerWaalsContact CB-CD1 3.44Å; F192-L343 HydrophobicContact CD1-CD1 4.11Å; F192-L343 HydrophobicContact CD2-CD1 4.4Å; F192-L343 HydrophobicContact CG-CD1 3.74Å; I196-L343 HydrophobicContact CD1-CD1 4.46Å; I196-L343 HydrophobicContact CD1-CD2 4.21Å; I196-L343 HydrophobicContact CG1-CD1 4.3Å; I196-L343 HydrophobicContact CG1-CD2 4.07Å; V326-L343 HydrophobicContact CG1-CD2 4.27Å; L335-L343 HydrophobicContact CD1-CD2 4.35Å; T339-L343 WeakPolarHBondContact O-CB 3.31Å; T339-L343 PolarHBondContact O-N 2.92Å; N341-L343 VanDerWaalsContact C-N 3.32Å; N341-L343 PolarHBondContact O-N 3.4Å; L343-E345 VanDerWaalsContact C-N 3.33Å; L343-E345 PolarHBondContact O-N 3.07Å; L343-A346 PolarHBondContact O-N 3.21Å; L343-I347 HydrophobicContact CD1-CD1 3.88Å; L343-I347 HydrophobicContact CD1-CG1 4.24Å; L343-I347 HydrophobicContact CG-CD1 3.95Å; L343-I347 WeakPolarHBondContact O-CB 3.29Å; L343-I347 WeakPolarHBondContact O-CG1 3Å; L343-I347 PolarHBondContact O-N 3.34Å
344K95Very high90.7Very high71 Ų7178.6 Ų78.631%0.30942%0.415SS..Hα-helixtrans-61-41.1178-75173.5179.5177.10112V326 T340 N341 R348V326-K344 HydrophobicContact CG1-CG 3.96Å; T340-K344 HydrophobicContact CG2-CD 4.17Å; T340-K344 VanDerWaalsContact O-CG 3.31Å; T340-K344 WeakPolarHBondContact O-CG 3.37Å; T340-K344 PolarHBondContact O-N 3.37Å; N341-K344 PolarHBondContact O-N 2.95Å; K344-R348 WeakPolarHBondContact O-CB 3.5Å; K344-R348 WeakPolarHBondContact O-CD 3.35Å; K344-R348 VanDerWaalsContact O-CG 3.23Å; K344-R348 WeakPolarHBondContact O-CG 3.21Å; K344-R348 PolarHBondContact O-N 3.5Å
345E93.8Very high90.4Very high122 Ų12274.3 Ų74.357%0.5740%0.397SS*.Hα-helixtrans-66.3-44.4176.4-73.4-176.9177.900112.2N341 N342 L343 I347 R348 S349N341-E345 WeakPolarHBondContact O-CG 3.44Å; N341-E345 PolarHBondContact O-N 3.48Å; N342-E345 PolarHBondContact O-N 3.39Å; L343-E345 VanDerWaalsContact C-N 3.33Å; L343-E345 PolarHBondContact O-N 3.07Å; E345-I347 PolarHBondContact O-N 3.26Å; E345-R348 PolarHBondContact O-N 2.79Å; E345-S349 WeakPolarHBondContact O-CB 3.46Å; E345-S349 PolarHBondContact O-N 3.22Å
346A94.2Very high90.1Very high30 Ų3077.1 Ų77.125%0.24841%0.412CS..Hα-helixtrans-61.7-43.8177.300000112.1F192 L195 N342 L343 S349 F350F192-A346 HydrophobicContact CD1-CB 4.45Å; F192-A346 HydrophobicContact CE1-CB 4.45Å; L195-A346 HydrophobicContact CD1-CB 3.21Å; N342-A346 WeakPolarHBondContact O-CB 3.5Å; N342-A346 PolarHBondContact O-N 2.9Å; L343-A346 PolarHBondContact O-N 3.21Å; A346-S349 PolarHBondContact O-N 2.93Å; A346-F350 WeakPolarHBondContact O-CB 3.38Å; A346-F350 PolarHBondContact O-N 3.14Å
347I94.7Very high89.8Confident3 Ų378.5 Ų78.52%0.01542%0.415CS..Hα-helixtrans-62.6-44.8176-71.8172.7000110.7I188 F192 I315 R322 V326 L343 E345 S349 F350 C351I188-I347 HydrophobicContact CG2-CD1 4.19Å; F192-I347 HydrophobicContact CD1-CG1 4.21Å; F192-I347 HydrophobicContact CD2-CD1 4.43Å; F192-I347 HydrophobicContact CD2-CG1 4.2Å; F192-I347 HydrophobicContact CE1-CG1 3.77Å; F192-I347 HydrophobicContact CE2-CD1 4.29Å; F192-I347 HydrophobicContact CE2-CG1 3.77Å; F192-I347 HydrophobicContact CG-CG1 4.41Å; F192-I347 HydrophobicContact CZ-CB 4.48Å; F192-I347 HydrophobicContact CZ-CG1 3.54Å; I315-I347 HydrophobicContact CD1-CG1 4.38Å; I315-I347 HydrophobicContact CD1-CG2 3.92Å; I315-I347 HydrophobicContact CG1-CG2 3.95Å; R322-I347 HydrophobicContact CG-CG2 4.14Å; V326-I347 HydrophobicContact CG1-CD1 4.24Å; V326-I347 HydrophobicContact CG2-CD1 3.41Å; V326-I347 VanDerWaalsContact CG2-CD1 3.41Å; L343-I347 HydrophobicContact CD1-CD1 3.88Å; L343-I347 HydrophobicContact CD1-CG1 4.24Å; L343-I347 HydrophobicContact CG-CD1 3.95Å; L343-I347 WeakPolarHBondContact O-CB 3.29Å; L343-I347 WeakPolarHBondContact O-CG1 3Å; L343-I347 PolarHBondContact O-N 3.34Å; E345-I347 PolarHBondContact O-N 3.26Å; I347-S349 VanDerWaalsContact C-N 3.31Å; I347-S349 PolarHBondContact O-N 3.15Å; I347-F350 WeakPolarHBondContact O-CB 3.47Å; I347-F350 PolarHBondContact O-N 2.94Å; I347-C351 PolarHBondContact O-N 2.82Å; I347-C351 PolarHBondContact O-SG 3.01Å
348R90.5Very high89.5Confident138 Ų13876.9 Ų76.952%0.52140%0.4SS..Hα-helixtrans-61.1-40.9175.9-73.9168.8-178167-0.1111.9K344 E345 C351 S352K344-R348 WeakPolarHBondContact O-CB 3.5Å; K344-R348 WeakPolarHBondContact O-CD 3.35Å; K344-R348 VanDerWaalsContact O-CG 3.23Å; K344-R348 WeakPolarHBondContact O-CG 3.21Å; K344-R348 PolarHBondContact O-N 3.5Å; E345-R348 PolarHBondContact O-N 2.79Å; R348-C351 PolarHBondContact O-N 3.03Å; R348-S352 PolarHBondContact O-N 3.35Å
349S89.8Confident89.2Confident60 Ų6072.9 Ų72.942%0.4238%0.384SS..Hα-helixtrans-63.9-45.9176-175.10000111.4E345 A346 I347 C351 S352 Q353E345-S349 WeakPolarHBondContact O-CB 3.46Å; E345-S349 PolarHBondContact O-N 3.22Å; A346-S349 PolarHBondContact O-N 2.93Å; I347-S349 VanDerWaalsContact C-N 3.31Å; I347-S349 PolarHBondContact O-N 3.15Å; S349-C351 PolarHBondContact O-N 3.17Å; S349-S352 PolarHBondContact O-N 2.87Å; S349-S352 PolarHBondContact O-OG 2.63Å; S349-Q353 PolarHBondContact O-N 3.05Å
350F87.8Confident88.8Confident69 Ų6975.5 Ų75.530%0.30340%0.395SS..Hα-helixtrans-56.5-39.4173.8-179-95.3000112F192 I315 A346 I347 S352 Q353F192-F350 HydrophobicContact CZ-CB 4.47Å; F192-F350 HydrophobicContact CZ-CG 4.46Å; I315-F350 HydrophobicContact CD1-CD1 4.48Å; I315-F350 HydrophobicContact CG2-CD1 3.85Å; I315-F350 HydrophobicContact CG2-CE1 3.62Å; A346-F350 WeakPolarHBondContact O-CB 3.38Å; A346-F350 PolarHBondContact O-N 3.14Å; I347-F350 WeakPolarHBondContact O-CB 3.47Å; I347-F350 PolarHBondContact O-N 2.94Å; F350-S352 VanDerWaalsContact C-N 3.26Å; F350-S352 PolarHBondContact O-N 3.23Å; F350-Q353 PolarHBondContact O-N 3.24Å
351C86.4Confident88.3Confident29 Ų2979.5 Ų79.520%0.19642%0.415CS..Hα-helixtrans-69.9-20.7177.1-61.20000114.1I315 I347 R348 S349I315-C351 PolarHBondContact O-SG 2.94Å; I347-C351 PolarHBondContact O-N 2.82Å; I347-C351 PolarHBondContact O-SG 3.01Å; R348-C351 PolarHBondContact O-N 3.03Å; S349-C351 PolarHBondContact O-N 3.17Å
352S84.6Confident87.7Confident87 Ų8778.8 Ų78.861%0.60841%0.41SS*.THydrogen-bonded Turntrans-89.3-4.3178.767.40000114.2R348 S349 F350R348-S352 PolarHBondContact O-N 3.35Å; S349-S352 PolarHBondContact O-N 2.87Å; S349-S352 PolarHBondContact O-OG 2.63Å; F350-S352 VanDerWaalsContact C-N 3.26Å; F350-S352 PolarHBondContact O-N 3.23Å
353Q75.5Confident87.2Confident117 Ų11779.3 Ų79.355%0.54741%0.412SS..  trans-88.2112.7175.2-65.1178.5500108.8K316 S349 F350K316-Q353 PolarHBondContact NZ-O 3.27Å; S349-Q353 PolarHBondContact O-N 3.05Å; F350-Q353 PolarHBondContact O-N 3.24Å
354D57.6Low86.4Confident225 Ų22586.5 Ų86.5100%1.20345%0.449SS*.  trans-68.60175.7-74.2-31.1000111.9

Retrieved 354 of 354 residues in 186 ms (Link to these results)

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