A0A3Q0KPB7_SCHMA Loading...

Putative glutamate receptor, kainate

AlphaFold DB (A0A5K4ES97), UniProt , Accession A0A3Q0KPB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,124 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M52.7Low70.6Confident205 Ų205125 Ų125100%1.0162%0.618SS**  0-52.30-95.1-172172.900113.1F3 Y4 T5M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 3.48Å; M1-Y4 PolarHBondContact O-N 2.98Å; M1-T5 PolarHBondContact O-N 3.24Å
2I64.8Low70.3Confident139 Ų139125 Ų12571%0.71362%0.615SS**Hα-helixtrans-59.5-33.9-178-60.6169.1000113.5T5 T6I2-T5 PolarHBondContact O-OG1 3.16Å; I2-T5 VanDerWaalsContact O-OG1 3.09Å; I2-T6 WeakPolarHBondContact O-CG2 3.37Å; I2-T6 PolarHBondContact O-N 3.45Å; I2-T6 PolarHBondContact O-OG1 3.46Å
3F67.7Low69.7Low176 Ų176122.6 Ų122.677%0.77261%0.606SS**Hα-helixtrans-68.9-30174.9-102.1-85.1000114.3M1 T6 S7M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 3.48Å; F3-T6 WeakPolarHBondContact CA-OG1 3.17Å; F3-T6 PolarHBondContact O-OG1 3.37Å; F3-T6 VanDerWaalsContact O-OG1 3.1Å; F3-S7 WeakPolarHBondContact O-CB 3.16Å; F3-S7 PolarHBondContact O-N 3.49Å; F3-S7 PolarHBondContact O-OG 3.15Å
4Y70.6Confident68.9Low182 Ų182117.7 Ų117.771%0.71459%0.589SS**Hα-helixtrans-79.5-38.5179.4-89.8-87.1000111.4M1 S7 I8M1-Y4 PolarHBondContact O-N 2.98Å; Y4-S7 PolarHBondContact O-N 3.38Å; Y4-I8 WeakPolarHBondContact O-CG1 3.31Å; Y4-I8 PolarHBondContact O-N 3.39Å; Y4-I8 VanDerWaalsContact O-N 3.15Å
5T74.4Confident68.1Low80 Ų80115.3 Ų115.349%0.49159%0.586SS.*Hα-helixtrans-68.6-39.4177.352.20000112M1 I2 I8 I9M1-T5 PolarHBondContact O-N 3.24Å; I2-T5 PolarHBondContact O-OG1 3.16Å; I2-T5 VanDerWaalsContact O-OG1 3.09Å; T5-I8 PolarHBondContact O-N 3.17Å; T5-I9 VanDerWaalsContact O-CG1 3.3Å; T5-I9 WeakPolarHBondContact O-CG1 3.24Å; T5-I9 PolarHBondContact O-N 3.19Å; T5-I9 VanDerWaalsContact O-N 3.13Å
6T76.6Confident67.4Low67 Ų67115.4 Ų115.441%0.41159%0.588SS.*Hα-helixtrans-65.1-39.5175.445.60000112.5I2 F3 I9 F10I2-T6 WeakPolarHBondContact O-CG2 3.37Å; I2-T6 PolarHBondContact O-N 3.45Å; I2-T6 PolarHBondContact O-OG1 3.46Å; F3-T6 WeakPolarHBondContact CA-OG1 3.17Å; F3-T6 PolarHBondContact O-OG1 3.37Å; F3-T6 VanDerWaalsContact O-OG1 3.1Å; T6-I9 PolarHBondContact O-N 3.49Å; T6-F10 PolarHBondContact O-N 3.13Å
7S73.9Confident66.7Low58 Ų58120.4 Ų120.441%0.40660%0.599SS.*Hα-helixtrans-66.8-39.9177.6-60.40000112.8F3 Y4 F10 I11F3-S7 WeakPolarHBondContact O-CB 3.16Å; F3-S7 PolarHBondContact O-N 3.49Å; F3-S7 PolarHBondContact O-OG 3.15Å; Y4-S7 PolarHBondContact O-N 3.38Å; S7-F10 PolarHBondContact O-N 3.43Å; S7-I11 VanDerWaalsContact O-CG1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.27Å; S7-I11 PolarHBondContact O-N 3.34Å
8I77.3Confident65.7Low102 Ų102118.2 Ų118.252%0.52360%0.597SS.*Hα-helixtrans-67.8-40.1177.6-66.9167.5000111Y4 T5 F10 I11 Q12Y4-I8 WeakPolarHBondContact O-CG1 3.31Å; Y4-I8 PolarHBondContact O-N 3.39Å; Y4-I8 VanDerWaalsContact O-N 3.15Å; T5-I8 PolarHBondContact O-N 3.17Å; I8-F10 VanDerWaalsContact C-N 3.32Å; I8-I11 PolarHBondContact O-N 3.32Å; I8-Q12 HydrophobicContact CG2-CG 4.46Å; I8-Q12 WeakPolarHBondContact O-CB 3.11Å; I8-Q12 WeakPolarHBondContact O-CG 3.49Å; I8-Q12 PolarHBondContact O-N 3.22Å
9I74.5Confident64.6Low101 Ų101118.5 Ų118.552%0.51860%0.596SS.*Hα-helixtrans-64.1-40.3175-67.3167.1000110.2T5 T6 Q12 L13T5-I9 VanDerWaalsContact O-CG1 3.3Å; T5-I9 WeakPolarHBondContact O-CG1 3.24Å; T5-I9 PolarHBondContact O-N 3.19Å; T5-I9 VanDerWaalsContact O-N 3.13Å; T6-I9 PolarHBondContact O-N 3.49Å; I9-Q12 PolarHBondContact O-N 3.49Å; I9-L13 HydrophobicContact CG2-CD1 3.64Å; I9-L13 WeakPolarHBondContact O-CB 3.33Å; I9-L13 WeakPolarHBondContact O-CD1 3.45Å; I9-L13 PolarHBondContact O-N 3.31Å
10F73.3Confident63.7Low162 Ų162118.9 Ų118.971%0.71161%0.605SS**Hα-helixtrans-64.8-40.4175.1-116.4-85.6000112.6T6 S7 I8 S14T6-F10 PolarHBondContact O-N 3.13Å; S7-F10 PolarHBondContact O-N 3.43Å; I8-F10 VanDerWaalsContact C-N 3.32Å; F10-S14 WeakPolarHBondContact O-CB 3.47Å; F10-S14 PolarHBondContact O-N 3.37Å; F10-S14 PolarHBondContact O-OG 3.22Å
11I70.5Confident63.2Low103 Ų103120.8 Ų120.853%0.52861%0.606SS.*Hα-helixtrans-67.5-42.9177.2-68.3165.5000110.4S7 I8 S14 C15S7-I11 VanDerWaalsContact O-CG1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.27Å; S7-I11 PolarHBondContact O-N 3.34Å; I8-I11 PolarHBondContact O-N 3.32Å; I11-S14 WeakPolarHBondContact CA-OG 3.35Å; I11-S14 CarbonylContact O-C 3.58Å; I11-S14 PolarHBondContact O-N 3.44Å; I11-S14 PolarHBondContact O-OG 3.15Å; I11-C15 WeakPolarHBondContact O-CB 3.32Å; I11-C15 PolarHBondContact O-N 3.18Å; I11-C15 PolarHBondContact O-SG 3.44Å
12Q67.3Low63.7Low125 Ų125119.6 Ų119.658%0.58460%0.598SS**Hα-helixtrans-66.3-42.8175.8-72.8-122.2-28.600112.1I8 I9 S14 C15 I16I8-Q12 HydrophobicContact CG2-CG 4.46Å; I8-Q12 WeakPolarHBondContact O-CB 3.11Å; I8-Q12 WeakPolarHBondContact O-CG 3.49Å; I8-Q12 PolarHBondContact O-N 3.22Å; I9-Q12 PolarHBondContact O-N 3.49Å; Q12-S14 VanDerWaalsContact C-N 3.31Å; Q12-S14 PolarHBondContact O-N 3.28Å; Q12-C15 PolarHBondContact O-N 3.41Å; Q12-I16 WeakPolarHBondContact O-CB 3.35Å; Q12-I16 WeakPolarHBondContact O-CD1 3.42Å; Q12-I16 WeakPolarHBondContact O-CG1 3.31Å; Q12-I16 PolarHBondContact O-N 3.33Å
13L62Low64.2Low94 Ų94114.5 Ų114.549%0.49258%0.575SS.*Hα-helixtrans-63.2-38.8172.1-103104.4000111.4I9 I16 Y17I9-L13 HydrophobicContact CG2-CD1 3.64Å; I9-L13 WeakPolarHBondContact O-CB 3.33Å; I9-L13 WeakPolarHBondContact O-CD1 3.45Å; I9-L13 PolarHBondContact O-N 3.31Å; L13-I16 PolarHBondContact O-N 3.22Å; L13-Y17 VanDerWaalsContact O-CB 3.31Å; L13-Y17 WeakPolarHBondContact O-CB 3.21Å; L13-Y17 PolarHBondContact O-N 3.35Å
14S58.8Low65Low54 Ų54108.5 Ų108.538%0.37855%0.552SS.*Hα-helixtrans-69.3-32.6176.976.20000112.4F10 I11 Q12 Y17 S18F10-S14 WeakPolarHBondContact O-CB 3.47Å; F10-S14 PolarHBondContact O-N 3.37Å; F10-S14 PolarHBondContact O-OG 3.22Å; I11-S14 WeakPolarHBondContact CA-OG 3.35Å; I11-S14 CarbonylContact O-C 3.58Å; I11-S14 PolarHBondContact O-N 3.44Å; I11-S14 PolarHBondContact O-OG 3.15Å; Q12-S14 VanDerWaalsContact C-N 3.31Å; Q12-S14 PolarHBondContact O-N 3.28Å; S14-Y17 CarbonylContact O-C 3.54Å; S14-Y17 PolarHBondContact O-N 3.28Å; S14-S18 WeakPolarHBondContact O-CA 3.31Å; S14-S18 WeakPolarHBondContact O-CB 3.49Å; S14-S18 PolarHBondContact O-N 3.19Å; S14-S18 PolarHBondContact O-OG 3.21Å
15C56.4Low65.9Low81 Ų81104.8 Ų104.855%0.54754%0.542SS..Hα-helixtrans-75.5-34.4174.3-72.20000111.7I11 Q12 S18 Q19I11-C15 WeakPolarHBondContact O-CB 3.32Å; I11-C15 PolarHBondContact O-N 3.18Å; I11-C15 PolarHBondContact O-SG 3.44Å; Q12-C15 PolarHBondContact O-N 3.41Å; C15-S18 PolarHBondContact O-N 3.42Å; C15-Q19 PolarHBondContact O-N 3.02Å
16I58Low66.8Low118 Ų118101 Ų10161%0.60552%0.518SS*.Hα-helixtrans-69.1-36.8171.3-66.4164.8000110Q12 L13Q12-I16 WeakPolarHBondContact O-CB 3.35Å; Q12-I16 WeakPolarHBondContact O-CD1 3.42Å; Q12-I16 WeakPolarHBondContact O-CG1 3.31Å; Q12-I16 PolarHBondContact O-N 3.33Å; L13-I16 PolarHBondContact O-N 3.22Å
17Y55.4Low67.7Low200 Ų20099.7 Ų99.778%0.78451%0.509SS*.Hα-helixtrans-76.6-25.8174.3-104.5-91.1000113.9L13 S14 Q19L13-Y17 VanDerWaalsContact O-CB 3.31Å; L13-Y17 WeakPolarHBondContact O-CB 3.21Å; L13-Y17 PolarHBondContact O-N 3.35Å; S14-Y17 CarbonylContact O-C 3.54Å; S14-Y17 PolarHBondContact O-N 3.28Å; Y17-Q19 VanDerWaalsContact C-N 3.32Å
18S48.1Very low68.8Low80 Ų8097 Ų9756%0.55949%0.489SS*.THydrogen-bonded Turntrans-93.519179.2-54.60000113S14 C15 T20S14-S18 WeakPolarHBondContact O-CA 3.31Å; S14-S18 WeakPolarHBondContact O-CB 3.49Å; S14-S18 PolarHBondContact O-N 3.19Å; S14-S18 PolarHBondContact O-OG 3.21Å; C15-S18 PolarHBondContact O-N 3.42Å; S18-T20 PolarHBondContact O-N 3.08Å
19Q44.5Very low69.7Low124 Ų12492.1 Ų92.158%0.57946%0.464SS*.  trans-64.178.8150.4-81.4-173.7-15.200107.3C15 Y17 Y21C15-Q19 PolarHBondContact O-N 3.02Å; Y17-Q19 VanDerWaalsContact C-N 3.32Å; Q19-Y21 WeakPolarHBondContact O-CD2 3.14Å; Q19-Y21 PolarHBondContact O-N 3.43Å
20T47Very low70.7Confident127 Ų12787.3 Ų87.378%0.77944%0.44SS*.  trans-58.496.1159.745.60000105.4S18 E22S18-T20 PolarHBondContact O-N 3.08Å; T20-E22 PolarHBondContact O-N 2.98Å
21Y52.4Low71.8Confident158 Ų15879.6 Ų79.662%0.6241%0.406SS*.  trans-56.8107.3175-78.8-87.9000107.5Q19 S23Q19-Y21 WeakPolarHBondContact O-CD2 3.14Å; Q19-Y21 PolarHBondContact O-N 3.43Å; Y21-S23 PolarHBondContact O-N 2.88Å
22E65.1Low72.8Confident180 Ų18074.8 Ų74.884%0.84138%0.382SS*.PPolyproline II helixtrans-68.8118.4176.6-157.1170.6-163.400107.3T20 T24T20-E22 PolarHBondContact O-N 2.98Å; E22-T24 PolarHBondContact O-N 3.23Å
23S74.7Confident73.7Confident32 Ų3273.7 Ų73.722%0.22438%0.375CS..PPolyproline II helixtrans-62.5134.6-17856.20000110.2Y21 Q25 H62Y21-S23 PolarHBondContact O-N 2.88Å; S23-Q25 PolarHBondContact O-N 3.09Å; S23-Q25 VanDerWaalsContact O-N 3.17Å; S23-H62 VanDerWaalsContact CB-O 3.28Å; S23-H62 WeakPolarHBondContact CB-O 3.42Å
24T84.6Confident74.7Confident50 Ų5074.1 Ų74.131%0.30737%0.372SS..EExtended strand (participates in β ladder)trans-64.7116.1175.9-58.20000109.4E22 L26 R63 F64 Q65 P337E22-T24 PolarHBondContact O-N 3.23Å; T24-L26 HydrophobicContact CG2-CD2 4.02Å; T24-R63 WeakPolarHBondContact CA-O 3.5Å; T24-R63 VanDerWaalsContact CB-O 3.26Å; T24-R63 WeakPolarHBondContact CB-O 3.46Å; T24-R63 PolarHBondContact N-O 2.85Å; T24-R63 PolarHBondContact OG1-O 3.07Å; T24-F64 HydrophobicContact CG2-CD1 4.25Å; T24-F64 HydrophobicContact CG2-CE1 4.36Å; T24-F64 WeakPolarHBondContact O-CA 3.37Å; T24-Q65 PolarHBondContact O-N 3.08Å; T24-P337 HydrophobicContact CG2-CG 4.28Å
25Q90Very high75.5Confident104 Ų10477.3 Ų77.349%0.48639%0.386SS..EExtended strand (participates in β ladder)trans-82.6121.2-179.4-65.2-175.9-1.100110.3S23 Q65 I67S23-Q25 PolarHBondContact O-N 3.09Å; S23-Q25 VanDerWaalsContact O-N 3.17Å; Q25-Q65 WeakPolarHBondContact CA-O 3.19Å; Q25-I67 HydrophobicContact CB-CD1 3.61Å; Q25-I67 HydrophobicContact CB-CG1 4.31Å; Q25-I67 HydrophobicContact CG-CD1 3.63Å
26L92.6Very high76.8Confident0 Ų076.2 Ų76.20%037%0.374CS..EExtended strand (participates in β ladder)trans-112.8116.9178.1-57.1179.3000109.1T24 F64 Q65 L66 I67 I94 V326 I335 P337T24-L26 HydrophobicContact CG2-CD2 4.02Å; L26-F64 HydrophobicContact CD1-CB 4.26Å; L26-F64 HydrophobicContact CD1-CD1 3.72Å; L26-F64 HydrophobicContact CD1-CE1 4.45Å; L26-F64 HydrophobicContact CD1-CG 4.22Å; L26-F64 HydrophobicContact CG-CD1 4.17Å; L26-Q65 PolarHBondContact N-O 3.46Å; L26-L66 HydrophobicContact CB-CD2 4.01Å; L26-L66 HydrophobicContact CD1-CD2 4.38Å; L26-L66 CarbonylContact O-C 3.58Å; L26-L66 VanDerWaalsContact O-CA 3.31Å; L26-L66 WeakPolarHBondContact O-CA 3.35Å; L26-I67 PolarHBondContact O-N 3.23Å; L26-I94 HydrophobicContact CB-CD1 3.73Å; L26-I94 HydrophobicContact CB-CG1 4.09Å; L26-I94 HydrophobicContact CB-CG2 4.33Å; L26-I94 HydrophobicContact CD1-CD1 4.07Å; L26-I94 HydrophobicContact CD2-CG2 4.19Å; L26-I94 HydrophobicContact CG-CD1 4.43Å; L26-V326 HydrophobicContact CD1-CG1 3.75Å; L26-V326 HydrophobicContact CD1-CG2 4.28Å; L26-I335 HydrophobicContact CD1-CG2 4.47Å; L26-I335 HydrophobicContact CD2-CG2 4.32Å; L26-P337 HydrophobicContact CD2-CG 4.1Å
27I95.6Very high77.9Confident41 Ų4171.2 Ų71.221%0.2135%0.349CS..EExtended strand (participates in β ladder)trans-87.7130-172.5-54.4174.8000109.6I67 I69 R91 V93 I94I27-I67 CarbonylContact C-O 3.58Å; I27-I67 WeakPolarHBondContact CA-O 3.4Å; I27-I69 HydrophobicContact CG2-CB 4.32Å; I27-I69 HydrophobicContact CG2-CD1 3.32Å; I27-I69 HydrophobicContact CG2-CG1 3.57Å; I27-R91 WeakPolarHBondContact CD1-O 3.21Å; I27-V93 HydrophobicContact CB-CG1 4.36Å; I27-V93 HydrophobicContact CG2-CG1 3.8Å; I27-V93 CarbonylContact O-C 3.54Å; I27-V93 VanDerWaalsContact O-CA 3.24Å; I27-V93 WeakPolarHBondContact O-CA 3.32Å; I27-I94 VanDerWaalsContact O-CG1 3.3Å; I27-I94 WeakPolarHBondContact O-CG1 3.06Å; I27-I94 PolarHBondContact O-N 2.86Å
28I96.5Very high79.1Confident0 Ų062.1 Ų62.10%032%0.315CS..EExtended strand (participates in β ladder)trans-113122174-58.1174.3000108.3F43 I47 L66 I67 I69 I94 A95 L319 L322I28-F43 HydrophobicContact CB-CZ 4.44Å; I28-F43 HydrophobicContact CG2-CE2 4.3Å; I28-F43 HydrophobicContact CG2-CZ 3.87Å; I28-I47 HydrophobicContact CB-CD1 4.14Å; I28-I47 HydrophobicContact CD1-CD1 3.51Å; I28-I47 HydrophobicContact CG1-CD1 4.36Å; I28-I47 HydrophobicContact CG2-CD1 4.35Å; I28-L66 HydrophobicContact CD1-CB 3.96Å; I28-L66 HydrophobicContact CD1-CD1 3.74Å; I28-L66 HydrophobicContact CD1-CD2 3.82Å; I28-L66 HydrophobicContact CD1-CG 4.02Å; I28-L66 HydrophobicContact CG1-CD2 4.44Å; I28-I67 PolarHBondContact N-O 3.24Å; I28-I69 PolarHBondContact O-N 2.88Å; I28-I94 HydrophobicContact CG1-CD1 4.37Å; I28-I94 HydrophobicContact CG1-CG1 4.15Å; I28-A95 HydrophobicContact CG2-CB 4.45Å; I28-L319 HydrophobicContact CD1-CD2 4.27Å; I28-L319 HydrophobicContact CG2-CD2 4.15Å; I28-L322 HydrophobicContact CD1-CD2 3.39Å; I28-L322 HydrophobicContact CD1-CG 4.46Å; I28-L322 HydrophobicContact CG1-CD2 4.01Å; I28-L322 HydrophobicContact CG2-CD2 4.46Å
29G96.7Very high80.9Confident0 Ų058.8 Ų58.80%029%0.291CS..EExtended strand (participates in β ladder)trans-86.2145.8175.400000111.7I69 A95 I96 Y97G29-I69 CarbonylContact C-O 3.47Å; G29-I69 WeakPolarHBondContact CA-O 3.38Å; G29-A95 PolarHBondContact N-O 3.19Å; G29-I96 CarbonylContact O-C 3.47Å; G29-I96 WeakPolarHBondContact O-CA 3.32Å; G29-Y97 PolarHBondContact O-N 3.36Å
30A96Very high83Confident0 Ų054.2 Ų54.20%027%0.27CS..EExtended strand (participates in β ladder)trans-130.5138.6168.900000110.8I32 F43 I69 I70 E71 Y97A30-I32 HydrophobicContact CB-CD1 4.29Å; A30-I32 HydrophobicContact CB-CG1 4.23Å; A30-F43 HydrophobicContact CB-CD1 3.91Å; A30-F43 HydrophobicContact CB-CD2 3.84Å; A30-F43 HydrophobicContact CB-CE1 3.66Å; A30-F43 HydrophobicContact CB-CE2 3.63Å; A30-F43 HydrophobicContact CB-CG 4Å; A30-F43 HydrophobicContact CB-CZ 3.54Å; A30-I69 PolarHBondContact N-O 3.43Å; A30-I70 HydrophobicContact CB-CG1 4.36Å; A30-E71 PolarHBondContact O-N 3.46Å; A30-Y97 WeakPolarHBondContact CA-O 3.48Å; A30-Y97 HydrophobicContact CB-CD1 4.01Å
31L94.8Very high84.9Confident1 Ų148.7 Ų48.71%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-110.8109.6170.9-75154.6000108.3E71 I73 K84 A85 L88 I96 Y97 P99 V108L31-E71 WeakPolarHBondContact CA-O 3.42Å; L31-E71 HydrophobicContact CD2-CB 4.01Å; L31-I73 HydrophobicContact CD2-CG2 3.85Å; L31-K84 HydrophobicContact CD2-CB 3.4Å; L31-K84 VanDerWaalsContact CD2-CB 3.4Å; L31-K84 HydrophobicContact CD2-CG 4.45Å; L31-A85 HydrophobicContact CD1-CB 3.84Å; L31-L88 HydrophobicContact CD1-CD1 4.15Å; L31-L88 HydrophobicContact CD2-CD1 4.31Å; L31-L88 HydrophobicContact CG-CD1 3.85Å; L31-I96 HydrophobicContact CD1-CG2 3.97Å; L31-Y97 PolarHBondContact N-O 3.37Å; L31-P99 HydrophobicContact CB-CB 4.37Å; L31-P99 HydrophobicContact CB-CG 4.5Å; L31-P99 VanDerWaalsContact O-CA 3.31Å; L31-P99 WeakPolarHBondContact O-CA 3.3Å; L31-V108 HydrophobicContact CD1-CB 4.5Å; L31-V108 HydrophobicContact CD1-CG1 4.08Å; L31-V108 HydrophobicContact CD1-CG2 3.54Å
32I91.5Very high86.6Confident2 Ų241.2 Ų41.21%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-117.8147.2-174.1-60.5-179.9000109.3A30 K34 D36 Q39 E40 F43 I70 E71 T72 I73A30-I32 HydrophobicContact CB-CD1 4.29Å; A30-I32 HydrophobicContact CB-CG1 4.23Å; I32-K34 PolarHBondContact O-N 3.28Å; I32-D36 HydrophobicContact CG2-CB 3.97Å; I32-Q39 HydrophobicContact CD1-CB 4.27Å; I32-Q39 HydrophobicContact CG2-CB 3.76Å; I32-E40 HydrophobicContact CD1-CB 4.43Å; I32-F43 HydrophobicContact CD1-CB 4.21Å; I32-I70 HydrophobicContact CB-CG2 4.42Å; I32-I70 HydrophobicContact CD1-CG2 3.84Å; I32-I70 HydrophobicContact CG1-CG2 4.2Å; I32-E71 PolarHBondContact N-O 3.33Å; I32-T72 CarbonylContact O-C 3.48Å; I32-T72 WeakPolarHBondContact O-CA 3.14Å; I32-I73 PolarHBondContact O-N 3.06Å
33K88Confident87.9Confident101 Ų10132.7 Ų32.744%0.43917%0.166SC..EExtended strand (participates in β ladder)trans-62.5137.5175.5-172176.9175.7175.90110.4D35 D36 I73K33-D35 PolarHBondContact O-N 3.42Å; K33-D36 HydrophobicContact CB-CB 4.31Å; K33-D36 WeakPolarHBondContact O-CB 3.35Å; K33-D36 PolarHBondContact O-N 3.19Å; K33-I73 CarbonylContact C-O 3.55Å
34K82.5Confident88.7Confident103 Ų10335.2 Ų35.245%0.44817%0.173SC..THydrogen-bonded Turntrans-54.5130.7173-162.6173.9178.1-175.10108.8I32 D36 I73 D74I32-K34 PolarHBondContact O-N 3.28Å; K34-D36 PolarHBondContact O-N 3.02Å; K34-I73 WeakPolarHBondContact CB-O 3.37Å; K34-I73 PolarHBondContact N-O 2.87Å; K34-D74 HydrophobicContact CD-CB 4.42Å; K34-D74 IonicContact NZ-OD2 2.99Å
35D76.2Confident88.9Confident122 Ų12234.8 Ų34.865%0.65217%0.167SC*.THydrogen-bonded Turntrans76.80.5-175.1-46.6-43.4000117.2K33 V37K33-D35 PolarHBondContact O-N 3.42Å; D35-V37 PolarHBondContact O-N 3.36Å
36D82.1Confident89Confident57 Ų5729.9 Ų29.931%0.30514%0.144SC..  trans-83.568.5171.1-159.5-23.9000111.9I32 K33 K34 A38 Q39 E40I32-D36 HydrophobicContact CG2-CB 3.97Å; K33-D36 HydrophobicContact CB-CB 4.31Å; K33-D36 WeakPolarHBondContact O-CB 3.35Å; K33-D36 PolarHBondContact O-N 3.19Å; K34-D36 PolarHBondContact O-N 3.02Å; D36-A38 PolarHBondContact O-N 3.3Å; D36-Q39 HydrophobicContact CB-CB 4.28Å; D36-Q39 VanDerWaalsContact CG-CG 3.49Å; D36-Q39 PolarHBondContact O-N 3.31Å; D36-Q39 WeakPolarHBondContact OD1-CB 3.49Å; D36-Q39 WeakPolarHBondContact OD1-CG 3.38Å; D36-Q39 PolarHBondContact OD1-N 3.31Å; D36-Q39 WeakPolarHBondContact OD2-CG 3.35Å; D36-Q39 PolarHBondContact OD2-OE1 3.49Å; D36-E40 PolarHBondContact O-N 2.92Å
37V82.1Confident89.1Confident13 Ų1330 Ų308%0.07914%0.144CC..Hα-helixtrans-62.1-31.4-179.1-176.50000111.4D35 E40 I41 D295 R297 F298D35-V37 PolarHBondContact O-N 3.36Å; V37-E40 WeakPolarHBondContact O-CB 3.16Å; V37-E40 PolarHBondContact O-N 3.3Å; V37-I41 HydrophobicContact CG1-CD1 3.92Å; V37-I41 HydrophobicContact CG1-CG1 4.4Å; V37-I41 VanDerWaalsContact O-CG1 3.32Å; V37-I41 WeakPolarHBondContact O-CG1 3.42Å; V37-I41 PolarHBondContact O-N 2.74Å; V37-D295 HydrophobicContact CG1-CB 4.34Å; V37-R297 HydrophobicContact CG1-CB 4.45Å; V37-R297 HydrophobicContact CG2-CB 3.88Å; V37-F298 HydrophobicContact CB-CB 4.27Å; V37-F298 HydrophobicContact CB-CD2 4.33Å; V37-F298 HydrophobicContact CG1-CB 3.99Å
38A80.9Confident88.9Confident9 Ų932.7 Ų32.77%0.07416%0.156CC..Hα-helixtrans-63.6-46.5178.300000111.3D36 E40 I41 C42 F298 I307D36-A38 PolarHBondContact O-N 3.3Å; A38-E40 VanDerWaalsContact C-N 3.35Å; A38-E40 PolarHBondContact O-N 3.41Å; A38-I41 PolarHBondContact O-N 2.74Å; A38-C42 WeakPolarHBondContact O-CB 3.24Å; A38-C42 PolarHBondContact O-N 2.69Å; A38-F298 HydrophobicContact CB-CE2 4.05Å; A38-I307 HydrophobicContact CB-CD1 4.21Å; A38-I307 HydrophobicContact CB-CG1 3.78Å; A38-I307 HydrophobicContact CB-CG2 4.48Å
39Q84.4Confident88.5Confident11 Ų1133.6 Ų33.65%0.05116%0.164CC..Hα-helixtrans-63-39.7174.1-80.5-151.4-56.700112.8I32 D36 I41 C42 F43 Y97 H311I32-Q39 HydrophobicContact CD1-CB 4.27Å; I32-Q39 HydrophobicContact CG2-CB 3.76Å; D36-Q39 HydrophobicContact CB-CB 4.28Å; D36-Q39 VanDerWaalsContact CG-CG 3.49Å; D36-Q39 PolarHBondContact O-N 3.31Å; D36-Q39 WeakPolarHBondContact OD1-CB 3.49Å; D36-Q39 WeakPolarHBondContact OD1-CG 3.38Å; D36-Q39 PolarHBondContact OD1-N 3.31Å; D36-Q39 WeakPolarHBondContact OD2-CG 3.35Å; D36-Q39 PolarHBondContact OD2-OE1 3.49Å; Q39-I41 VanDerWaalsContact C-N 3.32Å; Q39-I41 PolarHBondContact O-N 2.83Å; Q39-C42 PolarHBondContact O-N 3.19Å; Q39-F43 WeakPolarHBondContact O-CB 3.43Å; Q39-F43 PolarHBondContact O-N 3.38Å; Q39-Y97 PolarHBondContact NE2-OH 3.16Å; Q39-H311 PolarHBondContact NE2-CD2 3.37Å; Q39-H311 PolarHBondContact NE2-NE2 2.91Å
40E88.4Confident88.2Confident28 Ų2833.6 Ų33.613%0.13116%0.164CC..Hα-helixtrans-58.1-46.4177-167.4-159.2132.900111.3I32 D36 V37 A38 K44 I70 R297I32-E40 HydrophobicContact CD1-CB 4.43Å; D36-E40 PolarHBondContact O-N 2.92Å; V37-E40 WeakPolarHBondContact O-CB 3.16Å; V37-E40 PolarHBondContact O-N 3.3Å; A38-E40 VanDerWaalsContact C-N 3.35Å; A38-E40 PolarHBondContact O-N 3.41Å; E40-K44 WeakPolarHBondContact O-CG 3.49Å; E40-K44 PolarHBondContact O-N 3.36Å; E40-K44 IonicContact OE1-NZ 3.7Å; E40-K44 PolarHBondContact OE1-NZ 2.81Å; E40-I70 HydrophobicContact CB-CD1 4.43Å; E40-I70 HydrophobicContact CG-CD1 3.42Å; E40-I70 VanDerWaalsContact CG-CD1 3.42Å; E40-I70 HydrophobicContact CG-CG2 4.38Å; E40-R297 IonicContact OE1-CZ 3.85Å; E40-R297 IonicContact OE1-NH1 2.69Å; E40-R297 IonicContact OE1-NH2 3.69Å; E40-R297 PolarHBondContact OE1-NH2 2.95Å; E40-R297 IonicContact OE2-CZ 2.77Å; E40-R297 IonicContact OE2-NH1 3.58Å; E40-R297 PolarHBondContact OE2-NH1 3.45Å; E40-R297 IonicContact OE2-NH2 3.77Å; E40-R297 PolarHBondContact OE2-NH2 3.12Å
41I87.4Confident88Confident11 Ų1134.5 Ų34.56%0.05617%0.169CC..Hα-helixtrans-65.7-47.2178-68.9170.2000110.4V37 A38 Q39 F43 K44 K45 T291 A292 D295V37-I41 HydrophobicContact CG1-CD1 3.92Å; V37-I41 HydrophobicContact CG1-CG1 4.4Å; V37-I41 VanDerWaalsContact O-CG1 3.32Å; V37-I41 WeakPolarHBondContact O-CG1 3.42Å; V37-I41 PolarHBondContact O-N 2.74Å; A38-I41 PolarHBondContact O-N 2.74Å; Q39-I41 VanDerWaalsContact C-N 3.32Å; Q39-I41 PolarHBondContact O-N 2.83Å; I41-F43 VanDerWaalsContact C-N 3.33Å; I41-F43 PolarHBondContact O-N 2.84Å; I41-K44 PolarHBondContact O-N 3.12Å; I41-K45 HydrophobicContact CG2-CG 4.39Å; I41-K45 WeakPolarHBondContact O-CG 3.42Å; I41-K45 PolarHBondContact O-N 3.39Å; I41-T291 HydrophobicContact CD1-CG2 4.41Å; I41-T291 HydrophobicContact CG2-CG2 3.66Å; I41-A292 HydrophobicContact CD1-CB 3.99Å; I41-D295 HydrophobicContact CD1-CB 4.13Å
42C88.1Confident87.7Confident1 Ų140.3 Ų40.31%0.00719%0.194CC..Hα-helixtrans-59.7-43.7179-1720000111.3A38 Q39 K44 K45 S46 I288 S312 L315A38-C42 WeakPolarHBondContact O-CB 3.24Å; A38-C42 PolarHBondContact O-N 2.69Å; Q39-C42 PolarHBondContact O-N 3.19Å; C42-K44 PolarHBondContact O-N 2.78Å; C42-K45 PolarHBondContact O-N 3.15Å; C42-S46 WeakPolarHBondContact O-CB 3.49Å; C42-S46 PolarHBondContact O-N 2.93Å; C42-S46 PolarHBondContact O-OG 3.29Å; C42-I288 HydrophobicContact CB-CD1 3.99Å; C42-I288 WeakPolarHBondContact SG-CD1 3.39Å; C42-S312 VanDerWaalsContact SG-CB 3.54Å; C42-L315 HydrophobicContact CB-CD2 3.96Å
43F92.3Very high87.5Confident0 Ų041.1 Ų41.10%020%0.198CC..Hα-helixtrans-58.6-48.1178.1-178.8-100.8000111.6I28 A30 I32 Q39 I41 K45 S46 I47 P68 I70 Y97 L315 L319I28-F43 HydrophobicContact CB-CZ 4.44Å; I28-F43 HydrophobicContact CG2-CE2 4.3Å; I28-F43 HydrophobicContact CG2-CZ 3.87Å; A30-F43 HydrophobicContact CB-CD1 3.91Å; A30-F43 HydrophobicContact CB-CD2 3.84Å; A30-F43 HydrophobicContact CB-CE1 3.66Å; A30-F43 HydrophobicContact CB-CE2 3.63Å; A30-F43 HydrophobicContact CB-CG 4Å; A30-F43 HydrophobicContact CB-CZ 3.54Å; I32-F43 HydrophobicContact CD1-CB 4.21Å; Q39-F43 WeakPolarHBondContact O-CB 3.43Å; Q39-F43 PolarHBondContact O-N 3.38Å; I41-F43 VanDerWaalsContact C-N 3.33Å; I41-F43 PolarHBondContact O-N 2.84Å; F43-K45 VanDerWaalsContact C-N 3.34Å; F43-K45 PolarHBondContact O-N 2.82Å; F43-S46 PolarHBondContact O-N 2.77Å; F43-I47 HydrophobicContact CD1-CG1 4.42Å; F43-I47 HydrophobicContact CE1-CG1 4.09Å; F43-I47 HydrophobicContact CE2-CD1 4.45Å; F43-I47 HydrophobicContact CE2-CG1 4.37Å; F43-I47 HydrophobicContact CZ-CD1 4.13Å; F43-I47 HydrophobicContact CZ-CG1 4.03Å; F43-I47 VanDerWaalsContact O-CG1 3.29Å; F43-I47 WeakPolarHBondContact O-CG1 3.35Å; F43-I47 PolarHBondContact O-N 2.76Å; F43-P68 HydrophobicContact CD1-CB 4.1Å; F43-P68 HydrophobicContact CE1-CB 3.55Å; F43-I70 HydrophobicContact CD1-CD1 3.82Å; F43-I70 HydrophobicContact CD1-CG1 3.76Å; F43-I70 HydrophobicContact CE1-CG1 4.05Å; F43-Y97 AromaticContact CD2-CD1 3.95Å; F43-Y97 HydrophobicContact CD2-CD1 3.95Å; F43-Y97 HydrophobicContact CD2-CG 4.3Å; F43-Y97 HydrophobicContact CE2-CD1 4.2Å; F43-Y97 HydrophobicContact CE2-CG 4.22Å; F43-L315 HydrophobicContact CB-CD2 4.07Å; F43-L315 HydrophobicContact CD2-CD1 3.81Å; F43-L319 HydrophobicContact CD2-CD1 3.88Å; F43-L319 HydrophobicContact CE2-CD1 3.88Å; F43-L319 HydrophobicContact CE2-CD2 4.1Å
44K92.6Very high87.5Confident86 Ų8636.6 Ų36.637%0.37418%0.179SC..Hα-helixtrans-60.1-43.2176.8-72.6170.8174.7168.70112E40 I41 C42 I47 Q48 I70E40-K44 WeakPolarHBondContact O-CG 3.49Å; E40-K44 PolarHBondContact O-N 3.36Å; E40-K44 IonicContact OE1-NZ 3.7Å; E40-K44 PolarHBondContact OE1-NZ 2.81Å; I41-K44 PolarHBondContact O-N 3.12Å; C42-K44 PolarHBondContact O-N 2.78Å; K44-I47 PolarHBondContact O-N 2.82Å; K44-Q48 WeakPolarHBondContact O-CG 3.49Å; K44-Q48 PolarHBondContact O-N 2.84Å; K44-Q48 VanDerWaalsContact O-N 3.08Å; K44-I70 HydrophobicContact CD-CD1 4.35Å; K44-I70 HydrophobicContact CG-CD1 4.06Å
45K89Confident87.6Confident41 Ų4136.6 Ų36.618%0.17818%0.18CC..Hα-helixtrans-67.6-42.3178.9-71.2-68.3-176.5176.70112.3I41 C42 F43 I47 Q48 A49 E287I41-K45 HydrophobicContact CG2-CG 4.39Å; I41-K45 WeakPolarHBondContact O-CG 3.42Å; I41-K45 PolarHBondContact O-N 3.39Å; C42-K45 PolarHBondContact O-N 3.15Å; F43-K45 VanDerWaalsContact C-N 3.34Å; F43-K45 PolarHBondContact O-N 2.82Å; K45-I47 VanDerWaalsContact C-N 3.33Å; K45-I47 PolarHBondContact O-N 3.17Å; K45-Q48 WeakPolarHBondContact O-CB 3.38Å; K45-Q48 PolarHBondContact O-N 3.49Å; K45-Q48 VanDerWaalsContact O-N 3.14Å; K45-A49 PolarHBondContact O-N 2.88Å; K45-E287 HydrophobicContact CD-CG 4.46Å; K45-E287 WeakPolarHBondContact CE-OE1 3.24Å; K45-E287 IonicContact NZ-OE1 2.85Å; K45-E287 PolarHBondContact NZ-OE1 3.49Å
46S91.5Very high87.9Confident0 Ų038 Ų380%018%0.183CC..Hα-helixtrans-63.8-37.3176-650000112C42 F43 A49 A50 Y316 L319C42-S46 WeakPolarHBondContact O-CB 3.49Å; C42-S46 PolarHBondContact O-N 2.93Å; C42-S46 PolarHBondContact O-OG 3.29Å; F43-S46 PolarHBondContact O-N 2.77Å; S46-A49 PolarHBondContact O-N 3.36Å; S46-A50 WeakPolarHBondContact O-CB 3.41Å; S46-A50 PolarHBondContact O-N 3.05Å; S46-Y316 WeakPolarHBondContact OG-CA 3.36Å; S46-L319 VanDerWaalsContact CB-CD1 3.49Å
47I93.8Very high87.8Confident2 Ų240 Ų401%0.0119%0.191CC..Hα-helixtrans-65.2-39.9172-67.6-74000111.7I28 F43 K44 K45 A49 A50 N51 L66 P68 L319I28-I47 HydrophobicContact CB-CD1 4.14Å; I28-I47 HydrophobicContact CD1-CD1 3.51Å; I28-I47 HydrophobicContact CG1-CD1 4.36Å; I28-I47 HydrophobicContact CG2-CD1 4.35Å; F43-I47 HydrophobicContact CD1-CG1 4.42Å; F43-I47 HydrophobicContact CE1-CG1 4.09Å; F43-I47 HydrophobicContact CE2-CD1 4.45Å; F43-I47 HydrophobicContact CE2-CG1 4.37Å; F43-I47 HydrophobicContact CZ-CD1 4.13Å; F43-I47 HydrophobicContact CZ-CG1 4.03Å; F43-I47 VanDerWaalsContact O-CG1 3.29Å; F43-I47 WeakPolarHBondContact O-CG1 3.35Å; F43-I47 PolarHBondContact O-N 2.76Å; K44-I47 PolarHBondContact O-N 2.82Å; K45-I47 VanDerWaalsContact C-N 3.33Å; K45-I47 PolarHBondContact O-N 3.17Å; I47-A49 VanDerWaalsContact C-N 3.32Å; I47-A49 PolarHBondContact O-N 2.88Å; I47-A50 PolarHBondContact O-N 2.74Å; I47-N51 WeakPolarHBondContact O-CB 3.37Å; I47-N51 PolarHBondContact O-N 3.03Å; I47-N51 PolarHBondContact O-ND2 3.17Å; I47-L66 HydrophobicContact CG2-CB 4.1Å; I47-P68 HydrophobicContact CG1-CB 4.22Å; I47-P68 HydrophobicContact CG2-CB 4.43Å; I47-P68 HydrophobicContact CG2-CG 4.29Å; I47-L319 HydrophobicContact CD1-CD1 3.77Å; I47-L319 HydrophobicContact CD1-CD2 3.72Å; I47-L319 HydrophobicContact CD1-CG 4.27Å; I47-L319 HydrophobicContact CG1-CD1 3.79Å
48Q91.2Very high87.3Confident98 Ų9840.1 Ų40.146%0.45819%0.191SC..Hα-helixtrans-61.9-41.5174.2-71.7173.3-2.200111.5K44 K45 N51 K52K44-Q48 WeakPolarHBondContact O-CG 3.49Å; K44-Q48 PolarHBondContact O-N 2.84Å; K44-Q48 VanDerWaalsContact O-N 3.08Å; K45-Q48 WeakPolarHBondContact O-CB 3.38Å; K45-Q48 PolarHBondContact O-N 3.49Å; K45-Q48 VanDerWaalsContact O-N 3.14Å; Q48-N51 PolarHBondContact O-N 2.97Å; Q48-K52 WeakPolarHBondContact O-CG 3.17Å; Q48-K52 PolarHBondContact O-N 3.26Å
49A88.2Confident86.5Confident20 Ų2045.3 Ų45.317%0.16523%0.226CC..Hα-helixtrans-66.8-43.9175.800000112.5K45 S46 I47 N51 K52 L53 Y316K45-A49 PolarHBondContact O-N 2.88Å; S46-A49 PolarHBondContact O-N 3.36Å; I47-A49 VanDerWaalsContact C-N 3.32Å; I47-A49 PolarHBondContact O-N 2.88Å; A49-N51 VanDerWaalsContact C-N 3.29Å; A49-N51 PolarHBondContact O-N 2.78Å; A49-K52 WeakPolarHBondContact O-CB 3.46Å; A49-K52 PolarHBondContact O-N 3.21Å; A49-K52 VanDerWaalsContact O-N 3.11Å; A49-L53 PolarHBondContact O-N 3.13Å; A49-Y316 HydrophobicContact CB-CD2 4.06Å; A49-Y316 HydrophobicContact CB-CE2 3.42Å; A49-Y316 VanDerWaalsContact CB-CE2 3.42Å
50A91.9Very high85.2Confident0 Ų048.7 Ų48.70%025%0.248CC..Hα-helixtrans-59.6-39.3175.100000111.8S46 I47 L53 L54 L66 L319 A323S46-A50 WeakPolarHBondContact O-CB 3.41Å; S46-A50 PolarHBondContact O-N 3.05Å; I47-A50 PolarHBondContact O-N 2.74Å; A50-L53 WeakPolarHBondContact O-CB 3.42Å; A50-L53 PolarHBondContact O-N 3.12Å; A50-L54 WeakPolarHBondContact O-CG 3.25Å; A50-L54 PolarHBondContact O-N 3.04Å; A50-L66 HydrophobicContact CB-CD1 3.84Å; A50-L319 HydrophobicContact CB-CB 4.44Å; A50-A323 HydrophobicContact CB-CB 4.06Å
51N91.8Very high83.8Confident19 Ų1951.9 Ų51.910%0.10227%0.266CS..Hα-helixtrans-64.2-41.7172.6-83.3-41.6000113I47 Q48 A49 L53 L54 Q55 L66I47-N51 WeakPolarHBondContact O-CB 3.37Å; I47-N51 PolarHBondContact O-N 3.03Å; I47-N51 PolarHBondContact O-ND2 3.17Å; Q48-N51 PolarHBondContact O-N 2.97Å; A49-N51 VanDerWaalsContact C-N 3.29Å; A49-N51 PolarHBondContact O-N 2.78Å; N51-L53 PolarHBondContact O-N 2.75Å; N51-L54 WeakPolarHBondContact O-CB 3.45Å; N51-L54 PolarHBondContact O-N 2.64Å; N51-Q55 VanDerWaalsContact O-CG 3.24Å; N51-Q55 WeakPolarHBondContact O-CG 3.29Å; N51-Q55 PolarHBondContact O-N 3.43Å; N51-L66 PolarHBondContact ND2-O 2.69Å; N51-L66 WeakPolarHBondContact OD1-CB 3.01Å; N51-L66 PolarHBondContact OD1-N 2.99Å
52K88.5Confident82.7Confident123 Ų12356.9 Ų56.954%0.53529%0.289SS..Hα-helixtrans-59.7-40.1173.6-71173.7-177.81770111Q48 A49 Q55 Q56Q48-K52 WeakPolarHBondContact O-CG 3.17Å; Q48-K52 PolarHBondContact O-N 3.26Å; A49-K52 WeakPolarHBondContact O-CB 3.46Å; A49-K52 PolarHBondContact O-N 3.21Å; A49-K52 VanDerWaalsContact O-N 3.11Å; K52-Q55 PolarHBondContact O-N 3.38Å; K52-Q56 VanDerWaalsContact O-CG 3.28Å; K52-Q56 WeakPolarHBondContact O-CG 3.04Å; K52-Q56 PolarHBondContact O-N 2.65Å
53L86.7Confident82Confident19 Ų1960.6 Ų60.610%0.09930%0.302CS..Hα-helixtrans-65.1-43177.3-173.4162.1000111.6A49 A50 N51 Q55 Q56 H57 A323 M324 L327 F367A49-L53 PolarHBondContact O-N 3.13Å; A50-L53 WeakPolarHBondContact O-CB 3.42Å; A50-L53 PolarHBondContact O-N 3.12Å; N51-L53 PolarHBondContact O-N 2.75Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.3Å; L53-Q56 PolarHBondContact O-N 3.17Å; L53-H57 PolarHBondContact O-N 3.36Å; L53-H57 VanDerWaalsContact O-N 3.13Å; L53-A323 HydrophobicContact CD2-CB 4.26Å; L53-M324 HydrophobicContact CD2-CG 4.02Å; L53-M324 HydrophobicContact CD2-SD 3.56Å; L53-M324 VanDerWaalsContact CD2-SD 3.56Å; L53-L327 HydrophobicContact CD2-CD1 3.81Å; L53-F367 HydrophobicContact CD1-CD2 4.24Å; L53-F367 HydrophobicContact CD1-CE2 3.98Å
54L87.7Confident81.8Confident6 Ų661.5 Ų61.53%0.03131%0.306CS..Hα-helixtrans-56.6-46.3171.6-72174000111.8A50 N51 Q56 H57 D58 F64 L66 A323 L327A50-L54 WeakPolarHBondContact O-CG 3.25Å; A50-L54 PolarHBondContact O-N 3.04Å; N51-L54 WeakPolarHBondContact O-CB 3.45Å; N51-L54 PolarHBondContact O-N 2.64Å; L54-Q56 VanDerWaalsContact C-N 3.33Å; L54-Q56 PolarHBondContact O-N 3.31Å; L54-H57 PolarHBondContact O-N 3.34Å; L54-D58 VanDerWaalsContact O-CB 3.24Å; L54-D58 WeakPolarHBondContact O-CB 3.44Å; L54-D58 PolarHBondContact O-N 3.4Å; L54-F64 HydrophobicContact CD1-CB 4.42Å; L54-L66 HydrophobicContact CD1-CD1 3.94Å; L54-L66 HydrophobicContact CD1-CD2 4.13Å; L54-L66 HydrophobicContact CD1-CG 3.62Å; L54-A323 HydrophobicContact CD1-CB 4.48Å; L54-A323 HydrophobicContact CD2-CB 3.92Å; L54-A323 WeakPolarHBondContact CD2-O 3.19Å; L54-A323 HydrophobicContact CG-CB 3.9Å; L54-L327 HydrophobicContact CD2-CD1 3.65Å; L54-L327 HydrophobicContact CD2-CG 3.67Å
55Q84.6Confident81.7Confident102 Ų10261.1 Ų61.148%0.47731%0.306SS..Hα-helixtrans-64.5-36.5179.8-66.4171.6-2.900112.4N51 K52 L53N51-Q55 VanDerWaalsContact O-CG 3.24Å; N51-Q55 WeakPolarHBondContact O-CG 3.29Å; N51-Q55 PolarHBondContact O-N 3.43Å; K52-Q55 PolarHBondContact O-N 3.38Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.3Å
56Q82.6Confident81.9Confident153 Ų15359.3 Ų59.372%0.71530%0.298SS*.Hα-helixtrans-70.7-37.2179.7-75.7172.8-3.400113.1K52 L53 L54K52-Q56 VanDerWaalsContact O-CG 3.28Å; K52-Q56 WeakPolarHBondContact O-CG 3.04Å; K52-Q56 PolarHBondContact O-N 2.65Å; L53-Q56 PolarHBondContact O-N 3.17Å; L54-Q56 VanDerWaalsContact C-N 3.33Å; L54-Q56 PolarHBondContact O-N 3.31Å
57H80.2Confident82.1Confident99 Ų9961.5 Ų61.546%0.45831%0.31SS..Hα-helixtrans-96.3-18.1-175-76.1-77.8000114.6L53 L54 S59 L327L53-H57 PolarHBondContact O-N 3.36Å; L53-H57 VanDerWaalsContact O-N 3.13Å; L54-H57 PolarHBondContact O-N 3.34Å; H57-S59 PolarHBondContact O-N 3.49Å; H57-L327 HydrophobicContact CB-CD1 4.01Å; H57-L327 HydrophobicContact CB-CD2 3.67Å
58D72.6Confident82.2Confident15 Ų1563.8 Ų63.88%0.0832%0.324CS..  trans-87.281174.5-166.831.1000110.3L54 T60 H62 R63 L327L54-D58 VanDerWaalsContact O-CB 3.24Å; L54-D58 WeakPolarHBondContact O-CB 3.44Å; L54-D58 PolarHBondContact O-N 3.4Å; D58-T60 PolarHBondContact O-N 2.99Å; D58-H62 PolarHBondContact OD2-N 3.03Å; D58-R63 IonicContact OD1-CZ 3.63Å; D58-R63 IonicContact OD1-NE 3.33Å; D58-R63 PolarHBondContact OD1-NE 2.81Å; D58-R63 IonicContact OD1-NH2 3Å; D58-R63 PolarHBondContact OD1-NH2 2.78Å; D58-R63 WeakPolarHBondContact OD2-CB 3.48Å; D58-R63 PolarHBondContact OD2-N 3.03Å; D58-R63 IonicContact OD2-NE 3.66Å; D58-L327 HydrophobicContact CB-CD2 4.27Å
59S62.3Low82.4Confident118 Ų11860.6 Ų60.683%0.82531%0.31SS*.THydrogen-bonded Turntrans-60.9-11.3178.554.40000114.1H57H57-S59 PolarHBondContact O-N 3.49Å
60T57.3Low82.7Confident82 Ų8261.5 Ų61.550%0.50331%0.312SS..THydrogen-bonded Turntrans-125.290.8-175.152.40000110.2D58 R63D58-T60 PolarHBondContact O-N 2.99Å; T60-R63 PolarHBondContact O-NE 2.82Å
61N58.7Low82.9Confident94 Ų9462.6 Ų62.650%0.50332%0.317SS..THydrogen-bonded Turntrans80.820.2160.7-81.3-1.8000121.2R63N61-R63 HydrophobicContact CB-CG 4.29Å; N61-R63 PolarHBondContact O-N 2.85Å; N61-R63 VanDerWaalsContact O-N 3.1Å
62H64.9Low82.9Confident117 Ų11764.6 Ų64.654%0.54233%0.33SS..  trans4746.2173.2-61.6110.2000112.6S23 D58 F64S23-H62 VanDerWaalsContact CB-O 3.28Å; S23-H62 WeakPolarHBondContact CB-O 3.42Å; D58-H62 PolarHBondContact OD2-N 3.03Å; H62-F64 PolarHBondContact O-N 2.96Å
63R74.5Confident83.1Confident78 Ų7858.8 Ų58.829%0.29430%0.304SS..  trans-66.9-23.5-163.1-73.1-178.9-71.61512.9113.8T24 D58 T60 N61 S330T24-R63 WeakPolarHBondContact CA-O 3.5Å; T24-R63 VanDerWaalsContact CB-O 3.26Å; T24-R63 WeakPolarHBondContact CB-O 3.46Å; T24-R63 PolarHBondContact N-O 2.85Å; T24-R63 PolarHBondContact OG1-O 3.07Å; D58-R63 IonicContact OD1-CZ 3.63Å; D58-R63 IonicContact OD1-NE 3.33Å; D58-R63 PolarHBondContact OD1-NE 2.81Å; D58-R63 IonicContact OD1-NH2 3Å; D58-R63 PolarHBondContact OD1-NH2 2.78Å; D58-R63 WeakPolarHBondContact OD2-CB 3.48Å; D58-R63 PolarHBondContact OD2-N 3.03Å; D58-R63 IonicContact OD2-NE 3.66Å; T60-R63 PolarHBondContact O-NE 2.82Å; N61-R63 HydrophobicContact CB-CG 4.29Å; N61-R63 PolarHBondContact O-N 2.85Å; N61-R63 VanDerWaalsContact O-N 3.1Å; R63-S330 PolarHBondContact NH2-OG 2.86Å
64F86.9Confident83.1Confident19 Ų1962.2 Ų62.28%0.08332%0.323CS..EExtended strand (participates in β ladder)trans-129.2141.3-172.7-56.6-72.8000112.4T24 L26 L54 H62 V326T24-F64 HydrophobicContact CG2-CD1 4.25Å; T24-F64 HydrophobicContact CG2-CE1 4.36Å; T24-F64 WeakPolarHBondContact O-CA 3.37Å; L26-F64 HydrophobicContact CD1-CB 4.26Å; L26-F64 HydrophobicContact CD1-CD1 3.72Å; L26-F64 HydrophobicContact CD1-CE1 4.45Å; L26-F64 HydrophobicContact CD1-CG 4.22Å; L26-F64 HydrophobicContact CG-CD1 4.17Å; L54-F64 HydrophobicContact CD1-CB 4.42Å; H62-F64 PolarHBondContact O-N 2.96Å; F64-V326 HydrophobicContact CB-CG1 4.45Å; F64-V326 HydrophobicContact CD1-CG1 4.49Å; F64-V326 HydrophobicContact CD2-CG1 4.15Å; F64-V326 HydrophobicContact CG-CG1 4.1Å
65Q90.2Very high82.9Confident79 Ų7962.9 Ų62.937%0.36933%0.332SS..EExtended strand (participates in β ladder)trans-134124170.6-173.717915.800109.8T24 Q25 L26T24-Q65 PolarHBondContact O-N 3.08Å; Q25-Q65 WeakPolarHBondContact CA-O 3.19Å; L26-Q65 PolarHBondContact N-O 3.46Å
66L93.8Very high82.9Confident2 Ų260.5 Ų60.51%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-79.6129.1175.4-56.1179.6000110.5L26 I28 I47 A50 N51 L54 I94 A323L26-L66 HydrophobicContact CB-CD2 4.01Å; L26-L66 HydrophobicContact CD1-CD2 4.38Å; L26-L66 CarbonylContact O-C 3.58Å; L26-L66 VanDerWaalsContact O-CA 3.31Å; L26-L66 WeakPolarHBondContact O-CA 3.35Å; I28-L66 HydrophobicContact CD1-CB 3.96Å; I28-L66 HydrophobicContact CD1-CD1 3.74Å; I28-L66 HydrophobicContact CD1-CD2 3.82Å; I28-L66 HydrophobicContact CD1-CG 4.02Å; I28-L66 HydrophobicContact CG1-CD2 4.44Å; I47-L66 HydrophobicContact CG2-CB 4.1Å; A50-L66 HydrophobicContact CB-CD1 3.84Å; N51-L66 PolarHBondContact ND2-O 2.69Å; N51-L66 WeakPolarHBondContact OD1-CB 3.01Å; N51-L66 PolarHBondContact OD1-N 2.99Å; L54-L66 HydrophobicContact CD1-CD1 3.94Å; L54-L66 HydrophobicContact CD1-CD2 4.13Å; L54-L66 HydrophobicContact CD1-CG 3.62Å; L66-I94 HydrophobicContact CD2-CD1 4.41Å; L66-A323 HydrophobicContact CD1-CB 4.29Å
67I95.1Very high83.3Confident47 Ų4756.5 Ų56.524%0.24131%0.306CS..EExtended strand (participates in β ladder)trans-116.3123.2179.7-59-170.2000109.9Q25 L26 I27 I28Q25-I67 HydrophobicContact CB-CD1 3.61Å; Q25-I67 HydrophobicContact CB-CG1 4.31Å; Q25-I67 HydrophobicContact CG-CD1 3.63Å; L26-I67 PolarHBondContact O-N 3.23Å; I27-I67 CarbonylContact C-O 3.58Å; I27-I67 WeakPolarHBondContact CA-O 3.4Å; I28-I67 PolarHBondContact N-O 3.24Å
68P96.1Very high83.8Confident49 Ų4954.4 Ų54.432%0.31830%0.302SS..EExtended strand (participates in β ladder)trans-80.3135.8179.230.3-30.1000112F43 I47F43-P68 HydrophobicContact CD1-CB 4.1Å; F43-P68 HydrophobicContact CE1-CB 3.55Å; I47-P68 HydrophobicContact CG1-CB 4.22Å; I47-P68 HydrophobicContact CG2-CB 4.43Å; I47-P68 HydrophobicContact CG2-CG 4.29Å
69I96.1Very high84.8Confident32 Ų3261.2 Ų61.216%0.16433%0.331CS..EExtended strand (participates in β ladder)trans-125.3128.8162.3-62.3-174.7000108.1I27 I28 G29 A30 L88 R91I27-I69 HydrophobicContact CG2-CB 4.32Å; I27-I69 HydrophobicContact CG2-CD1 3.32Å; I27-I69 HydrophobicContact CG2-CG1 3.57Å; I28-I69 PolarHBondContact O-N 2.88Å; G29-I69 CarbonylContact C-O 3.47Å; G29-I69 WeakPolarHBondContact CA-O 3.38Å; A30-I69 PolarHBondContact N-O 3.43Å; I69-L88 HydrophobicContact CB-CD2 4.16Å; I69-L88 HydrophobicContact CG2-CD2 3.58Å; I69-R91 HydrophobicContact CD1-CB 4.25Å
70I94.8Very high86.4Confident38 Ų3857.2 Ų57.220%0.19530%0.3CS..EExtended strand (participates in β ladder)trans-116.9127.9-177.6-53.8176.4000108.6A30 I32 E40 F43 K44A30-I70 HydrophobicContact CB-CG1 4.36Å; I32-I70 HydrophobicContact CB-CG2 4.42Å; I32-I70 HydrophobicContact CD1-CG2 3.84Å; I32-I70 HydrophobicContact CG1-CG2 4.2Å; E40-I70 HydrophobicContact CB-CD1 4.43Å; E40-I70 HydrophobicContact CG-CD1 3.42Å; E40-I70 VanDerWaalsContact CG-CD1 3.42Å; E40-I70 HydrophobicContact CG-CG2 4.38Å; F43-I70 HydrophobicContact CD1-CD1 3.82Å; F43-I70 HydrophobicContact CD1-CG1 3.76Å; F43-I70 HydrophobicContact CE1-CG1 4.05Å; K44-I70 HydrophobicContact CD-CD1 4.35Å; K44-I70 HydrophobicContact CG-CD1 4.06Å
71E95.3Very high88.1Confident24 Ų2453.3 Ų53.311%0.11228%0.276CS..EExtended strand (participates in β ladder)trans-114.5148.7166.3-70.8-67.8162.100108.7A30 L31 I32 K84 L88 R91A30-E71 PolarHBondContact O-N 3.46Å; L31-E71 WeakPolarHBondContact CA-O 3.42Å; L31-E71 HydrophobicContact CD2-CB 4.01Å; I32-E71 PolarHBondContact N-O 3.33Å; E71-K84 HydrophobicContact CB-CB 4.2Å; E71-K84 HydrophobicContact CB-CD 4.33Å; E71-K84 HydrophobicContact CG-CD 4.45Å; E71-K84 WeakPolarHBondContact OE2-CE 3.47Å; E71-K84 IonicContact OE2-NZ 2.69Å; E71-K84 PolarHBondContact OE2-NZ 3.21Å; E71-L88 HydrophobicContact CG-CD2 3.82Å; E71-L88 HydrophobicContact CG-CG 4.03Å; E71-R91 IonicContact OE1-NH2 2.69Å
72T92.6Very high89.8Confident60 Ų6051.4 Ų51.437%0.36827%0.267SS..EExtended strand (participates in β ladder)trans-114.6143.7-179.458.70000111.6I32I32-T72 CarbonylContact O-C 3.48Å; I32-T72 WeakPolarHBondContact O-CA 3.14Å
73I92.2Very high91.3Very high1 Ų151.6 Ų51.61%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-122.9148.917765.6172.6000111.1L31 I32 K33 K34 E80 A81 K84 P99 A104L31-I73 HydrophobicContact CD2-CG2 3.85Å; I32-I73 PolarHBondContact O-N 3.06Å; K33-I73 CarbonylContact C-O 3.55Å; K34-I73 WeakPolarHBondContact CB-O 3.37Å; K34-I73 PolarHBondContact N-O 2.87Å; I73-E80 HydrophobicContact CB-CG 4.41Å; I73-E80 HydrophobicContact CG2-CG 4.2Å; I73-A81 HydrophobicContact CD1-CB 4.13Å; I73-A81 HydrophobicContact CG2-CB 4.35Å; I73-K84 HydrophobicContact CG2-CB 4.35Å; I73-K84 HydrophobicContact CG2-CG 4.2Å; I73-P99 HydrophobicContact CD1-CB 3.65Å; I73-P99 HydrophobicContact CD1-CG 3.7Å; I73-A104 HydrophobicContact CD1-CB 3.83Å
74D87.3Confident92.3Very high91 Ų9149.6 Ų49.649%0.48726%0.257SS..SBendtrans-84.3119.5174.2-152.1-13.7000111.4K34 D76 D77 E80K34-D74 HydrophobicContact CD-CB 4.42Å; K34-D74 IonicContact NZ-OD2 2.99Å; D74-D76 PolarHBondContact O-N 3.16Å; D74-D77 WeakPolarHBondContact O-CB 3.47Å; D74-D77 PolarHBondContact O-N 2.84Å; D74-E80 PolarHBondContact N-OE2 3.42Å
75G82.2Confident92.7Very high21 Ų2148.7 Ų48.722%0.21625%0.253CS..THydrogen-bonded Turntrans57.2-132.4177.500000114.6
76D84.9Confident92.9Very high52 Ų5246 Ų4628%0.27824%0.242SC..THydrogen-bonded Turntrans-108.938.9177-16011.2000111.5D74 S78 T101 P102 Y103 A104D74-D76 PolarHBondContact O-N 3.16Å; D76-S78 PolarHBondContact O-N 2.83Å; D76-S78 VanDerWaalsContact O-N 3.14Å; D76-T101 HydrophobicContact CB-CG2 4.29Å; D76-T101 WeakPolarHBondContact OD1-CB 3.39Å; D76-T101 PolarHBondContact OD1-OG1 2.99Å; D76-P102 WeakPolarHBondContact OD2-CD 3.37Å; D76-P102 WeakPolarHBondContact OD2-CG 3.38Å; D76-Y103 PolarHBondContact OD1-N 3.46Å; D76-Y103 WeakPolarHBondContact OD2-CD2 3.4Å; D76-Y103 PolarHBondContact OD2-N 2.92Å; D76-A104 VanDerWaalsContact OD1-CB 3.23Å; D76-A104 WeakPolarHBondContact OD1-CB 3.03Å; D76-A104 PolarHBondContact OD1-N 2.64Å
77D91.4Very high93Very high69 Ų6949 Ų4937%0.36926%0.257SS..  trans-72.7101.9179.1-174.1-20.3000111.1D74 F79 E80 A81D74-D77 WeakPolarHBondContact O-CB 3.47Å; D74-D77 PolarHBondContact O-N 2.84Å; D77-F79 VanDerWaalsContact C-N 3.33Å; D77-F79 PolarHBondContact O-N 3.41Å; D77-F79 WeakPolarHBondContact OD1-CA 3.41Å; D77-F79 WeakPolarHBondContact OD1-CB 3.42Å; D77-F79 PolarHBondContact OD1-N 3.33Å; D77-E80 HydrophobicContact CB-CB 3.99Å; D77-E80 PolarHBondContact OD1-N 3.14Å; D77-A81 VanDerWaalsContact O-CB 3.26Å; D77-A81 WeakPolarHBondContact O-CB 3.36Å; D77-A81 PolarHBondContact O-N 2.7Å
78S91.2Very high93.1Very high55 Ų5546.8 Ų46.839%0.38525%0.245SC..Hα-helixtrans-67.2-29.9179.461.50000113.7D76 T82D76-S78 PolarHBondContact O-N 2.83Å; D76-S78 VanDerWaalsContact O-N 3.14Å; S78-T82 WeakPolarHBondContact O-CB 3.27Å; S78-T82 PolarHBondContact O-N 3.23Å; S78-T82 PolarHBondContact O-OG1 2.97Å
79F94.2Very high93Very high157 Ų15744.5 Ų44.569%0.68923%0.23SC*.Hα-helixtrans-73.5-45.9178178.6-98.7000110.6D77 A81 T82 R83D77-F79 VanDerWaalsContact C-N 3.33Å; D77-F79 PolarHBondContact O-N 3.41Å; D77-F79 WeakPolarHBondContact OD1-CA 3.41Å; D77-F79 WeakPolarHBondContact OD1-CB 3.42Å; D77-F79 PolarHBondContact OD1-N 3.33Å; F79-A81 VanDerWaalsContact C-N 3.34Å; F79-T82 PolarHBondContact O-N 3.03Å; F79-R83 PolarHBondContact O-N 3.12Å
80E94.5Very high92.9Very high35 Ų3547.2 Ų47.216%0.16424%0.242CC..Hα-helixtrans-62.6-43.1174-177.7162.2-12900111.3I73 D74 D77 T82 R83 K84I73-E80 HydrophobicContact CB-CG 4.41Å; I73-E80 HydrophobicContact CG2-CG 4.2Å; D74-E80 PolarHBondContact N-OE2 3.42Å; D77-E80 HydrophobicContact CB-CB 3.99Å; D77-E80 PolarHBondContact OD1-N 3.14Å; E80-T82 VanDerWaalsContact C-N 3.34Å; E80-T82 PolarHBondContact O-N 2.89Å; E80-R83 PolarHBondContact O-N 2.98Å; E80-R83 IonicContact OE1-NH2 3.68Å; E80-R83 PolarHBondContact OE1-NH2 2.77Å; E80-K84 HydrophobicContact CG-CG 4.06Å; E80-K84 WeakPolarHBondContact O-CB 3.22Å; E80-K84 WeakPolarHBondContact O-CG 3.46Å; E80-K84 PolarHBondContact O-N 3.28Å
81A94.3Very high92.8Very high0 Ų051.4 Ų51.40%026%0.255CS..Hα-helixtrans-59-43.1175.700000112.5I73 D77 F79 K84 A85 A104 V108I73-A81 HydrophobicContact CD1-CB 4.13Å; I73-A81 HydrophobicContact CG2-CB 4.35Å; D77-A81 VanDerWaalsContact O-CB 3.26Å; D77-A81 WeakPolarHBondContact O-CB 3.36Å; D77-A81 PolarHBondContact O-N 2.7Å; F79-A81 VanDerWaalsContact C-N 3.34Å; A81-K84 PolarHBondContact O-N 3.44Å; A81-A85 WeakPolarHBondContact O-CB 3.45Å; A81-A85 PolarHBondContact O-N 3.13Å; A81-A104 HydrophobicContact CB-CB 3.64Å; A81-V108 HydrophobicContact CB-CG2 4.14Å
82T94.3Very high92.7Very high53 Ų5352 Ų5233%0.32526%0.258SS..Hα-helixtrans-59.9-47.9174.8-57.60000111.2S78 F79 E80 K84 C86 A107 L111S78-T82 WeakPolarHBondContact O-CB 3.27Å; S78-T82 PolarHBondContact O-N 3.23Å; S78-T82 PolarHBondContact O-OG1 2.97Å; F79-T82 PolarHBondContact O-N 3.03Å; E80-T82 VanDerWaalsContact C-N 3.34Å; E80-T82 PolarHBondContact O-N 2.89Å; T82-K84 PolarHBondContact O-N 3.2Å; T82-C86 WeakPolarHBondContact O-CB 3.29Å; T82-C86 PolarHBondContact O-N 2.81Å; T82-A107 WeakPolarHBondContact OG1-CB 3.47Å; T82-L111 HydrophobicContact CG2-CD1 3.66Å; T82-L111 HydrophobicContact CG2-CG 4.28Å; T82-L111 WeakPolarHBondContact O-CD1 3.5Å
83R95.5Very high92.9Very high121 Ų12149.2 Ų49.246%0.45724%0.241SC..Hα-helixtrans-61.9-43.4179.2-177.4-177.166.6175.6-1.8111.9F79 E80 C86 Q87F79-R83 PolarHBondContact O-N 3.12Å; E80-R83 PolarHBondContact O-N 2.98Å; E80-R83 IonicContact OE1-NH2 3.68Å; E80-R83 PolarHBondContact OE1-NH2 2.77Å; R83-C86 WeakPolarHBondContact O-CB 3.37Å; R83-C86 PolarHBondContact O-N 3.02Å; R83-Q87 WeakPolarHBondContact O-CG 3.33Å; R83-Q87 PolarHBondContact O-N 3.48Å; R83-Q87 VanDerWaalsContact O-N 3.13Å
84K96Very high93Very high37 Ų3749.1 Ų49.116%0.16124%0.241CC..Hα-helixtrans-73.1-39.8-179.5-68.8-57.6-161.8163.70112.5L31 E71 I73 E80 A81 T82 C86 Q87 L88L31-K84 HydrophobicContact CD2-CB 3.4Å; L31-K84 VanDerWaalsContact CD2-CB 3.4Å; L31-K84 HydrophobicContact CD2-CG 4.45Å; E71-K84 HydrophobicContact CB-CB 4.2Å; E71-K84 HydrophobicContact CB-CD 4.33Å; E71-K84 HydrophobicContact CG-CD 4.45Å; E71-K84 WeakPolarHBondContact OE2-CE 3.47Å; E71-K84 IonicContact OE2-NZ 2.69Å; E71-K84 PolarHBondContact OE2-NZ 3.21Å; I73-K84 HydrophobicContact CG2-CB 4.35Å; I73-K84 HydrophobicContact CG2-CG 4.2Å; E80-K84 HydrophobicContact CG-CG 4.06Å; E80-K84 WeakPolarHBondContact O-CB 3.22Å; E80-K84 WeakPolarHBondContact O-CG 3.46Å; E80-K84 PolarHBondContact O-N 3.28Å; A81-K84 PolarHBondContact O-N 3.44Å; T82-K84 PolarHBondContact O-N 3.2Å; K84-C86 VanDerWaalsContact C-N 3.27Å; K84-C86 PolarHBondContact O-N 3.39Å; K84-Q87 WeakPolarHBondContact O-CB 3.07Å; K84-Q87 PolarHBondContact O-N 3.31Å; K84-Q87 VanDerWaalsContact O-N 3.16Å; K84-L88 WeakPolarHBondContact O-CG 3.5Å; K84-L88 PolarHBondContact O-N 3.35Å
85A95.3Very high93.4Very high0 Ų044.8 Ų44.80%022%0.217CC..Hα-helixtrans-59.2-40.9170.800000111.5L31 A81 Q87 L88 I89 V108 L111L31-A85 HydrophobicContact CD1-CB 3.84Å; A81-A85 WeakPolarHBondContact O-CB 3.45Å; A81-A85 PolarHBondContact O-N 3.13Å; A85-Q87 PolarHBondContact O-N 3.16Å; A85-L88 WeakPolarHBondContact O-CB 3.08Å; A85-L88 PolarHBondContact O-N 2.85Å; A85-I89 WeakPolarHBondContact O-CG1 3.28Å; A85-I89 PolarHBondContact O-N 3.13Å; A85-V108 HydrophobicContact CB-CG1 4.25Å; A85-V108 HydrophobicContact CB-CG2 4.04Å; A85-L111 HydrophobicContact CB-CD1 3.7Å
86C95.2Very high94.1Very high21 Ų2143.8 Ų43.814%0.14221%0.207CC..Hα-helixtrans-59.9-44.2173.8-177.50000112.8T82 R83 K84 L88 I89 E90 C343T82-C86 WeakPolarHBondContact O-CB 3.29Å; T82-C86 PolarHBondContact O-N 2.81Å; R83-C86 WeakPolarHBondContact O-CB 3.37Å; R83-C86 PolarHBondContact O-N 3.02Å; K84-C86 VanDerWaalsContact C-N 3.27Å; K84-C86 PolarHBondContact O-N 3.39Å; C86-L88 VanDerWaalsContact C-N 3.28Å; C86-L88 PolarHBondContact O-N 3.38Å; C86-I89 PolarHBondContact O-N 3.11Å; C86-E90 PolarHBondContact O-N 3.29Å; C86-C343 WeakPolarHBondContact CA-SG 3.44Å; C86-C343 HydrophobicContact CB-CB 4.18Å; C86-C343 WeakPolarHBondContact CB-SG 3.31Å; C86-C343 WeakPolarHBondContact SG-CB 3.47Å; C86-C343 CovalentContact SG-SG 2.01Å; C86-C343 PolarHBondContact SG-SG 3.03Å
87Q95.5Very high94.5Very high67 Ų6741.6 Ų41.631%0.31320%0.195SC..Hα-helixtrans-60.6-36.9174.8-71174.8-5.500112.2R83 K84 A85 R91R83-Q87 WeakPolarHBondContact O-CG 3.33Å; R83-Q87 PolarHBondContact O-N 3.48Å; R83-Q87 VanDerWaalsContact O-N 3.13Å; K84-Q87 WeakPolarHBondContact O-CB 3.07Å; K84-Q87 PolarHBondContact O-N 3.31Å; K84-Q87 VanDerWaalsContact O-N 3.16Å; A85-Q87 PolarHBondContact O-N 3.16Å; Q87-R91 WeakPolarHBondContact O-CG 3.31Å; Q87-R91 PolarHBondContact O-N 2.76Å
88L95.9Very high94.4Very high0 Ų038.4 Ų38.40%018%0.178CC..Hα-helixtrans-66.6-44.3174.3-68.8173.4000111.5L31 I69 E71 K84 A85 C86 E90 R91 V93 I96L31-L88 HydrophobicContact CD1-CD1 4.15Å; L31-L88 HydrophobicContact CD2-CD1 4.31Å; L31-L88 HydrophobicContact CG-CD1 3.85Å; I69-L88 HydrophobicContact CB-CD2 4.16Å; I69-L88 HydrophobicContact CG2-CD2 3.58Å; E71-L88 HydrophobicContact CG-CD2 3.82Å; E71-L88 HydrophobicContact CG-CG 4.03Å; K84-L88 WeakPolarHBondContact O-CG 3.5Å; K84-L88 PolarHBondContact O-N 3.35Å; A85-L88 WeakPolarHBondContact O-CB 3.08Å; A85-L88 PolarHBondContact O-N 2.85Å; C86-L88 VanDerWaalsContact C-N 3.28Å; C86-L88 PolarHBondContact O-N 3.38Å; L88-E90 VanDerWaalsContact C-N 3.32Å; L88-E90 PolarHBondContact O-N 2.94Å; L88-R91 CarbonylContact O-C 3.48Å; L88-R91 WeakPolarHBondContact O-CA 3.35Å; L88-R91 WeakPolarHBondContact O-CB 3.36Å; L88-R91 PolarHBondContact O-N 3.22Å; L88-V93 HydrophobicContact CB-CG1 4.17Å; L88-V93 HydrophobicContact CB-CG2 4.23Å; L88-V93 WeakPolarHBondContact O-CG1 3.27Å; L88-V93 WeakPolarHBondContact O-CG2 3.48Å; L88-I96 HydrophobicContact CB-CD1 4.35Å; L88-I96 HydrophobicContact CD1-CG2 4.43Å
89I94.3Very high94.4Very high0 Ų036 Ų360%016%0.161CC..Hα-helixtrans-60.1-42.4177.2-68.5162.9000111.1A85 C86 R91 Q92 I96 L111 F115 L341A85-I89 WeakPolarHBondContact O-CG1 3.28Å; A85-I89 PolarHBondContact O-N 3.13Å; C86-I89 PolarHBondContact O-N 3.11Å; I89-R91 PolarHBondContact O-N 2.98Å; I89-Q92 WeakPolarHBondContact O-CA 3.42Å; I89-Q92 PolarHBondContact O-N 3.29Å; I89-I96 HydrophobicContact CD1-CD1 4.5Å; I89-I96 HydrophobicContact CG1-CD1 4.08Å; I89-L111 HydrophobicContact CD1-CB 4.12Å; I89-F115 HydrophobicContact CD1-CB 4.48Å; I89-F115 HydrophobicContact CD1-CD2 3.69Å; I89-F115 HydrophobicContact CD1-CE2 4.36Å; I89-F115 HydrophobicContact CD1-CG 4.23Å; I89-F115 HydrophobicContact CG2-CB 4.37Å; I89-F115 HydrophobicContact CG2-CD1 4.15Å; I89-F115 HydrophobicContact CG2-CD2 4.34Å; I89-F115 HydrophobicContact CG2-CG 4Å; I89-L341 HydrophobicContact CG2-CB 3.81Å; I89-L341 HydrophobicContact CG2-CD1 4.08Å
90E93.6Very high93.8Very high89 Ų8930.7 Ų30.742%0.41614%0.144SC..Hα-helixtrans-64.1-25.9176-75.7-179.5166.100113.1C86 L88 Q92 S342C86-E90 PolarHBondContact O-N 3.29Å; L88-E90 VanDerWaalsContact C-N 3.32Å; L88-E90 PolarHBondContact O-N 2.94Å; E90-Q92 PolarHBondContact O-N 3.47Å; E90-Q92 PolarHBondContact O-NE2 3.32Å; E90-S342 PolarHBondContact OE1-OG 2.94Å
91R94.2Very high93.4Very high127 Ų12730.2 Ų30.248%0.47914%0.143SC..THydrogen-bonded Turntrans-82.211.5171-67.1-179.5-172.7-15311.4113.8I27 I69 E71 Q87 L88 I89I27-R91 WeakPolarHBondContact CD1-O 3.21Å; I69-R91 HydrophobicContact CD1-CB 4.25Å; E71-R91 IonicContact OE1-NH2 2.69Å; Q87-R91 WeakPolarHBondContact O-CG 3.31Å; Q87-R91 PolarHBondContact O-N 2.76Å; L88-R91 CarbonylContact O-C 3.48Å; L88-R91 WeakPolarHBondContact O-CA 3.35Å; L88-R91 WeakPolarHBondContact O-CB 3.36Å; L88-R91 PolarHBondContact O-N 3.22Å; I89-R91 PolarHBondContact O-N 2.98Å
92Q93Very high92.8Very high37 Ų3731.1 Ų31.117%0.17315%0.149CC..THydrogen-bonded Turntrans60.345.4174.4-45.8-53.7-57.100113.7I89 E90 P338 G340 L341I89-Q92 WeakPolarHBondContact O-CA 3.42Å; I89-Q92 PolarHBondContact O-N 3.29Å; E90-Q92 PolarHBondContact O-N 3.47Å; E90-Q92 PolarHBondContact O-NE2 3.32Å; Q92-P338 HydrophobicContact CB-CB 4.31Å; Q92-P338 WeakPolarHBondContact CB-O 3.37Å; Q92-P338 WeakPolarHBondContact CG-O 3.33Å; Q92-P338 PolarHBondContact OE1-O 2.68Å; Q92-G340 VanDerWaalsContact OE1-N 3.1Å; Q92-L341 PolarHBondContact NE2-O 3.05Å
93V95.5Very high92.5Very high0 Ų035 Ų350%016%0.158CC..EExtended strand (participates in β ladder)trans-68.7143.5173.8-64.80000112.1I27 L88 I96 I117 P338I27-V93 HydrophobicContact CB-CG1 4.36Å; I27-V93 HydrophobicContact CG2-CG1 3.8Å; I27-V93 CarbonylContact O-C 3.54Å; I27-V93 VanDerWaalsContact O-CA 3.24Å; I27-V93 WeakPolarHBondContact O-CA 3.32Å; L88-V93 HydrophobicContact CB-CG1 4.17Å; L88-V93 HydrophobicContact CB-CG2 4.23Å; L88-V93 WeakPolarHBondContact O-CG1 3.27Å; L88-V93 WeakPolarHBondContact O-CG2 3.48Å; V93-I96 HydrophobicContact CG2-CD1 4.12Å; V93-I96 HydrophobicContact CG2-CG1 3.79Å; V93-I117 HydrophobicContact CG2-CG2 4.44Å; V93-I117 WeakPolarHBondContact O-CD1 3.5Å; V93-P338 WeakPolarHBondContact O-CG 3.3Å
94I94.8Very high92.3Very high0 Ų029.2 Ų29.20%014%0.137CC..EExtended strand (participates in β ladder)trans-90.2-17.2174.460147.6000113.3L26 I27 I28 L66 P118 V326 W349L26-I94 HydrophobicContact CB-CD1 3.73Å; L26-I94 HydrophobicContact CB-CG1 4.09Å; L26-I94 HydrophobicContact CB-CG2 4.33Å; L26-I94 HydrophobicContact CD1-CD1 4.07Å; L26-I94 HydrophobicContact CD2-CG2 4.19Å; L26-I94 HydrophobicContact CG-CD1 4.43Å; I27-I94 VanDerWaalsContact O-CG1 3.3Å; I27-I94 WeakPolarHBondContact O-CG1 3.06Å; I27-I94 PolarHBondContact O-N 2.86Å; I28-I94 HydrophobicContact CG1-CD1 4.37Å; I28-I94 HydrophobicContact CG1-CG1 4.15Å; L66-I94 HydrophobicContact CD2-CD1 4.41Å; I94-P118 VanDerWaalsContact O-CD 3.32Å; I94-P118 WeakPolarHBondContact O-CD 3.24Å; I94-V326 HydrophobicContact CD1-CG2 4.29Å; I94-W349 HydrophobicContact CB-CH2 3.67Å; I94-W349 HydrophobicContact CB-CZ2 4.32Å; I94-W349 HydrophobicContact CB-CZ3 4.15Å; I94-W349 HydrophobicContact CG2-CH2 3.74Å; I94-W349 HydrophobicContact CG2-CZ2 3.87Å; I94-W349 WeakPolarHBondContact O-CZ3 3.39Å
95A95.8Very high92Very high0 Ų027.4 Ų27.40%013%0.129CC..EExtended strand (participates in β ladder)trans-158.5151.5177.900000109.4I28 G29 P118 L322I28-A95 HydrophobicContact CG2-CB 4.45Å; G29-A95 PolarHBondContact N-O 3.19Å; A95-P118 CarbonylContact C-O 3.52Å; A95-P118 VanDerWaalsContact CA-O 3.3Å; A95-P118 WeakPolarHBondContact CA-O 3.46Å; A95-P118 HydrophobicContact CB-CB 4.28Å; A95-L322 HydrophobicContact CB-CD1 4.22Å; A95-L322 HydrophobicContact CB-CD2 3.66Å
96I96.2Very high91.8Very high0 Ų029.2 Ų29.20%014%0.141CC..EExtended strand (participates in β ladder)trans-118.9130.9173.2-61.9178.8000108.4G29 L31 L88 I89 V93 V108 I117 P118 H119 L120G29-I96 CarbonylContact O-C 3.47Å; G29-I96 WeakPolarHBondContact O-CA 3.32Å; L31-I96 HydrophobicContact CD1-CG2 3.97Å; L88-I96 HydrophobicContact CB-CD1 4.35Å; L88-I96 HydrophobicContact CD1-CG2 4.43Å; I89-I96 HydrophobicContact CD1-CD1 4.5Å; I89-I96 HydrophobicContact CG1-CD1 4.08Å; V93-I96 HydrophobicContact CG2-CD1 4.12Å; V93-I96 HydrophobicContact CG2-CG1 3.79Å; I96-V108 HydrophobicContact CG2-CG1 3.89Å; I96-I117 HydrophobicContact CG1-CG2 4.17Å; I96-P118 PolarHBondContact N-O 3.17Å; I96-H119 CarbonylContact O-C 3.54Å; I96-H119 WeakPolarHBondContact O-CA 3.33Å; I96-H119 PolarHBondContact O-CD2 3.29Å; I96-L120 PolarHBondContact O-N 3.43Å
97Y94.6Very high91.5Very high6 Ų629.1 Ų29.12%0.02414%0.142CC..EExtended strand (participates in β ladder)trans-101.4134.1170.3165.3-94.1000110.7G29 A30 L31 Q39 F43 L120 I122 L315G29-Y97 PolarHBondContact O-N 3.36Å; A30-Y97 WeakPolarHBondContact CA-O 3.48Å; A30-Y97 HydrophobicContact CB-CD1 4.01Å; L31-Y97 PolarHBondContact N-O 3.37Å; Q39-Y97 PolarHBondContact NE2-OH 3.16Å; F43-Y97 AromaticContact CD2-CD1 3.95Å; F43-Y97 HydrophobicContact CD2-CD1 3.95Å; F43-Y97 HydrophobicContact CD2-CG 4.3Å; F43-Y97 HydrophobicContact CE2-CD1 4.2Å; F43-Y97 HydrophobicContact CE2-CG 4.22Å; Y97-L120 HydrophobicContact CD2-CB 4.37Å; Y97-I122 HydrophobicContact CE2-CD1 3.95Å; Y97-I122 HydrophobicContact CE2-CG1 4.03Å; Y97-I122 HydrophobicContact CE2-CG2 4.06Å; Y97-I122 WeakPolarHBondContact OH-CD1 3.44Å; Y97-L315 HydrophobicContact CD1-CD1 4.03Å; Y97-L315 HydrophobicContact CD2-CD1 3.6Å; Y97-L315 HydrophobicContact CE1-CD1 3.81Å; Y97-L315 HydrophobicContact CE1-CD2 4.37Å; Y97-L315 HydrophobicContact CE2-CB 4.31Å; Y97-L315 HydrophobicContact CE2-CD1 3.33Å; Y97-L315 HydrophobicContact CE2-CG 4.3Å; Y97-L315 HydrophobicContact CG-CD1 3.93Å; Y97-L315 VanDerWaalsContact CZ-CD1 3.44Å
98G88.3Confident91.4Very high2 Ų225.9 Ų25.92%0.02113%0.127CC..  trans67.6-175.4175.700000114.1H119 L120G98-H119 PolarHBondContact O-NE2 3.35Å; G98-H119 VanDerWaalsContact O-NE2 3.08Å; G98-L120 PolarHBondContact N-O 3Å
99P90.6Very high91.2Very high4 Ų426.5 Ų26.53%0.02613%0.13CC..  cis-78168.5932.3-36.4000113.7L31 I73 T101 A104 S105L31-P99 HydrophobicContact CB-CB 4.37Å; L31-P99 HydrophobicContact CB-CG 4.5Å; L31-P99 VanDerWaalsContact O-CA 3.31Å; L31-P99 WeakPolarHBondContact O-CA 3.3Å; I73-P99 HydrophobicContact CD1-CB 3.65Å; I73-P99 HydrophobicContact CD1-CG 3.7Å; P99-T101 VanDerWaalsContact C-N 3.32Å; P99-A104 HydrophobicContact CB-CB 4.48Å; P99-A104 HydrophobicContact CG-CB 3.46Å; P99-A104 VanDerWaalsContact CG-CB 3.46Å; P99-S105 WeakPolarHBondContact O-CB 3.28Å
100S82.3Confident91Very high45 Ų4529.4 Ų29.432%0.31515%0.154SC..  trans-81.2-9.4177.251.60000113.8
101T85.9Confident90.9Very high26 Ų2626 Ų2616%0.1614%0.138CC..SBendtrans-87.9138.4-179.663.10000110.9D76 P99 A104 S105D76-T101 HydrophobicContact CB-CG2 4.29Å; D76-T101 WeakPolarHBondContact OD1-CB 3.39Å; D76-T101 PolarHBondContact OD1-OG1 2.99Å; P99-T101 VanDerWaalsContact C-N 3.32Å; T101-A104 WeakPolarHBondContact OG1-CB 3.2Å; T101-S105 WeakPolarHBondContact O-CB 3.35Å; T101-S105 PolarHBondContact O-N 2.71Å
102P83Confident90.9Very high18 Ų1819.9 Ų19.912%0.11712%0.115CC..Hα-helixtrans-67-43-16328.1-40.2000114.4D76 S106 Y126 H127D76-P102 WeakPolarHBondContact OD2-CD 3.37Å; D76-P102 WeakPolarHBondContact OD2-CG 3.38Å; P102-S106 WeakPolarHBondContact O-CB 3.32Å; P102-S106 PolarHBondContact O-N 3.5Å; P102-S106 PolarHBondContact O-OG 2.84Å; P102-Y126 HydrophobicContact CB-CE1 4.42Å; P102-Y126 WeakPolarHBondContact CG-OH 3.2Å; P102-H127 HydrophobicContact CB-CB 3.96Å
103Y87.3Confident90.9Very high134 Ų13420.8 Ų20.853%0.52512%0.121SC..Hα-helixtrans-73.5-43.6-176.2-62.7-65.7000110.6D76 S106 A107 H127D76-Y103 PolarHBondContact OD1-N 3.46Å; D76-Y103 WeakPolarHBondContact OD2-CD2 3.4Å; D76-Y103 PolarHBondContact OD2-N 2.92Å; Y103-S106 PolarHBondContact O-N 3.25Å; Y103-A107 PolarHBondContact O-N 2.7Å; Y103-A107 VanDerWaalsContact O-N 3.14Å; Y103-H127 AromaticContact CD1-CD2 3.63Å; Y103-H127 AromaticContact CD1-NE2 3.37Å; Y103-H127 WeakPolarHBondContact CD1-NE2 3.23Å; Y103-H127 AromaticContact CE1-CD2 3.58Å; Y103-H127 AromaticContact CE1-NE2 3.1Å; Y103-H127 WeakPolarHBondContact CE1-NE2 3.37Å
104A90.6Very high90.7Very high0 Ų024.9 Ų24.90%014%0.14CC..Hα-helixtrans-64.2-44.617500000111.6I73 D76 A81 P99 T101 S106 A107 V108I73-A104 HydrophobicContact CD1-CB 3.83Å; D76-A104 VanDerWaalsContact OD1-CB 3.23Å; D76-A104 WeakPolarHBondContact OD1-CB 3.03Å; D76-A104 PolarHBondContact OD1-N 2.64Å; A81-A104 HydrophobicContact CB-CB 3.64Å; P99-A104 HydrophobicContact CB-CB 4.48Å; P99-A104 HydrophobicContact CG-CB 3.46Å; P99-A104 VanDerWaalsContact CG-CB 3.46Å; T101-A104 WeakPolarHBondContact OG1-CB 3.2Å; A104-S106 VanDerWaalsContact C-N 3.32Å; A104-S106 PolarHBondContact O-N 3.29Å; A104-A107 PolarHBondContact O-N 3.39Å; A104-A107 VanDerWaalsContact O-N 3.17Å; A104-V108 WeakPolarHBondContact O-CG2 3.47Å; A104-V108 PolarHBondContact O-N 3.38Å
105S90.9Very high90.6Very high0 Ų024.9 Ų24.90%014%0.14CC..Hα-helixtrans-59.5-41176-176.60000112.2P99 T101 A107 V108 Q109 H119 Q121 Q128P99-S105 WeakPolarHBondContact O-CB 3.28Å; T101-S105 WeakPolarHBondContact O-CB 3.35Å; T101-S105 PolarHBondContact O-N 2.71Å; S105-A107 VanDerWaalsContact C-N 3.34Å; S105-A107 PolarHBondContact O-N 3.33Å; S105-V108 PolarHBondContact O-N 3.39Å; S105-Q109 WeakPolarHBondContact O-CB 3.26Å; S105-Q109 PolarHBondContact O-N 3.47Å; S105-H119 PolarHBondContact O-CE1 3.3Å; S105-H119 PolarHBondContact OG-CE1 3.05Å; S105-Q121 PolarHBondContact OG-NE2 3.49Å; S105-Q128 PolarHBondContact OG-NE2 3.12Å; S105-Q128 VanDerWaalsContact OG-NE2 3.11Å
106S89.4Confident90.5Very high37 Ų3724.9 Ų24.926%0.25914%0.14SC..Hα-helixtrans-64.1-38.4176.4-59.90000112.5P102 Y103 A104 Q109 A110P102-S106 WeakPolarHBondContact O-CB 3.32Å; P102-S106 PolarHBondContact O-N 3.5Å; P102-S106 PolarHBondContact O-OG 2.84Å; Y103-S106 PolarHBondContact O-N 3.25Å; A104-S106 VanDerWaalsContact C-N 3.32Å; A104-S106 PolarHBondContact O-N 3.29Å; S106-Q109 PolarHBondContact O-N 2.92Å; S106-A110 PolarHBondContact O-N 3.39Å; S106-A110 VanDerWaalsContact O-N 3.11Å
107A90.7Very high90.4Very high19 Ų1924.9 Ų24.916%0.15714%0.14CC..Hα-helixtrans-67.6-41.3176.600000112.2T82 Y103 A104 S105 A110 L111T82-A107 WeakPolarHBondContact OG1-CB 3.47Å; Y103-A107 PolarHBondContact O-N 2.7Å; Y103-A107 VanDerWaalsContact O-N 3.14Å; A104-A107 PolarHBondContact O-N 3.39Å; A104-A107 VanDerWaalsContact O-N 3.17Å; S105-A107 VanDerWaalsContact C-N 3.34Å; S105-A107 PolarHBondContact O-N 3.33Å; A107-A110 PolarHBondContact O-N 2.91Å; A107-L111 PolarHBondContact O-N 3.49Å
108V92.8Very high90.4Very high0 Ų024.6 Ų24.60%014%0.139CC..Hα-helixtrans-63.3-42.8173.4177.60000110.9L31 A81 A85 I96 A104 S105 A110 L111 C112L31-V108 HydrophobicContact CD1-CB 4.5Å; L31-V108 HydrophobicContact CD1-CG1 4.08Å; L31-V108 HydrophobicContact CD1-CG2 3.54Å; A81-V108 HydrophobicContact CB-CG2 4.14Å; A85-V108 HydrophobicContact CB-CG1 4.25Å; A85-V108 HydrophobicContact CB-CG2 4.04Å; I96-V108 HydrophobicContact CG2-CG1 3.89Å; A104-V108 WeakPolarHBondContact O-CG2 3.47Å; A104-V108 PolarHBondContact O-N 3.38Å; S105-V108 PolarHBondContact O-N 3.39Å; V108-A110 VanDerWaalsContact C-N 3.29Å; V108-A110 PolarHBondContact O-N 3.39Å; V108-L111 PolarHBondContact O-N 3.48Å; V108-C112 WeakPolarHBondContact O-CB 3.47Å; V108-C112 PolarHBondContact O-N 3.4Å
109Q91.7Very high90.7Very high12 Ų1224.5 Ų24.56%0.05614%0.138CC..Hα-helixtrans-58.6-40.7177.4-177.25948.100112.3S105 S106 L111 C112 N113 H119S105-Q109 WeakPolarHBondContact O-CB 3.26Å; S105-Q109 PolarHBondContact O-N 3.47Å; S106-Q109 PolarHBondContact O-N 2.92Å; Q109-L111 PolarHBondContact O-N 2.99Å; Q109-C112 PolarHBondContact O-N 2.81Å; Q109-N113 PolarHBondContact NE2-ND2 2.94Å; Q109-N113 PolarHBondContact NE2-OD1 3.3Å; Q109-N113 WeakPolarHBondContact O-CB 3.48Å; Q109-N113 PolarHBondContact O-N 3.49Å; Q109-H119 PolarHBondContact OE1-ND1 3.08Å
110A90.6Very high90.8Very high61 Ų6124.6 Ų24.650%0.50414%0.139SC..Hα-helixtrans-61.4-43.7177.900000111.7S106 A107 V108 N113 Q114S106-A110 PolarHBondContact O-N 3.39Å; S106-A110 VanDerWaalsContact O-N 3.11Å; A107-A110 PolarHBondContact O-N 2.91Å; V108-A110 VanDerWaalsContact C-N 3.29Å; V108-A110 PolarHBondContact O-N 3.39Å; A110-N113 PolarHBondContact O-N 2.62Å; A110-Q114 PolarHBondContact O-N 3.07Å; A110-Q114 VanDerWaalsContact O-N 3.07Å
111L91.9Very high91.3Very high17 Ų1722.5 Ų22.59%0.08912%0.124CC..Hα-helixtrans-65.1-47.3173.8-75.7171.1000111.8T82 A85 I89 A107 V108 Q109 N113 Q114 F115T82-L111 HydrophobicContact CG2-CD1 3.66Å; T82-L111 HydrophobicContact CG2-CG 4.28Å; T82-L111 WeakPolarHBondContact O-CD1 3.5Å; A85-L111 HydrophobicContact CB-CD1 3.7Å; I89-L111 HydrophobicContact CD1-CB 4.12Å; A107-L111 PolarHBondContact O-N 3.49Å; V108-L111 PolarHBondContact O-N 3.48Å; Q109-L111 PolarHBondContact O-N 2.99Å; L111-N113 PolarHBondContact O-N 3.26Å; L111-Q114 WeakPolarHBondContact O-CA 3.36Å; L111-Q114 WeakPolarHBondContact O-CB 3.11Å; L111-Q114 PolarHBondContact O-N 3.25Å; L111-F115 HydrophobicContact CD2-CD2 4.43Å; L111-F115 HydrophobicContact CD2-CE2 3.89Å; L111-F115 VanDerWaalsContact O-CD2 3.25Å; L111-F115 WeakPolarHBondContact O-CD2 3.36Å; L111-F115 PolarHBondContact O-N 2.84Å
112C93.3Very high91.4Very high0 Ų021.7 Ų21.70%012%0.118CC..Hα-helixtrans-55-41.7176.8-81.50000112.2V108 Q109 G116 I117 H119V108-C112 WeakPolarHBondContact O-CB 3.47Å; V108-C112 PolarHBondContact O-N 3.4Å; Q109-C112 PolarHBondContact O-N 2.81Å; C112-G116 WeakPolarHBondContact O-CA 3.36Å; C112-G116 PolarHBondContact O-N 3.43Å; C112-I117 WeakPolarHBondContact CB-O 3.45Å; C112-I117 PolarHBondContact O-N 3.26Å; C112-H119 HydrophobicContact CB-CB 3.94Å
113N91.8Very high91.5Very high55 Ų5521.6 Ų21.629%0.29412%0.117SC..Hα-helixtrans-65.4-39.1174.2-78.7-17.5000113.1Q109 A110 L111 R131 Y133Q109-N113 PolarHBondContact NE2-ND2 2.94Å; Q109-N113 PolarHBondContact NE2-OD1 3.3Å; Q109-N113 WeakPolarHBondContact O-CB 3.48Å; Q109-N113 PolarHBondContact O-N 3.49Å; A110-N113 PolarHBondContact O-N 2.62Å; L111-N113 PolarHBondContact O-N 3.26Å; N113-R131 PolarHBondContact ND2-O 3.48Å; N113-R131 PolarHBondContact OD1-O 2.97Å; N113-R131 VanDerWaalsContact OD1-O 3.13Å; N113-Y133 PolarHBondContact OD1-N 2.83Å
114Q91.4Very high91.3Very high86 Ų8617.5 Ų17.540%0.40210%0.101SC..Hα-helixtrans-65.7-42.6177.9-177.1-179-2.500112.2A110 L111A110-Q114 PolarHBondContact O-N 3.07Å; A110-Q114 VanDerWaalsContact O-N 3.07Å; L111-Q114 WeakPolarHBondContact O-CA 3.36Å; L111-Q114 WeakPolarHBondContact O-CB 3.11Å; L111-Q114 PolarHBondContact O-N 3.25Å
115F93.6Very high90.7Very high0 Ų017.6 Ų17.60%010%0.102CC..Hα-helixtrans-94.8-3.7-175-67.3-77.8000113.9I89 L111 I117 L341 S342 C343 R347 W349I89-F115 HydrophobicContact CD1-CB 4.48Å; I89-F115 HydrophobicContact CD1-CD2 3.69Å; I89-F115 HydrophobicContact CD1-CE2 4.36Å; I89-F115 HydrophobicContact CD1-CG 4.23Å; I89-F115 HydrophobicContact CG2-CB 4.37Å; I89-F115 HydrophobicContact CG2-CD1 4.15Å; I89-F115 HydrophobicContact CG2-CD2 4.34Å; I89-F115 HydrophobicContact CG2-CG 4Å; L111-F115 HydrophobicContact CD2-CD2 4.43Å; L111-F115 HydrophobicContact CD2-CE2 3.89Å; L111-F115 VanDerWaalsContact O-CD2 3.25Å; L111-F115 WeakPolarHBondContact O-CD2 3.36Å; L111-F115 PolarHBondContact O-N 2.84Å; F115-I117 HydrophobicContact CB-CG1 3.98Å; F115-L341 HydrophobicContact CD1-CD2 4.48Å; F115-S342 WeakPolarHBondContact CE1-O 3.41Å; F115-C343 HydrophobicContact CZ-CB 4.29Å; F115-R347 VanDerWaalsContact CD1-O 3.28Å; F115-R347 WeakPolarHBondContact CD1-O 3.36Å; F115-W349 PolarHBondContact O-N 2.92Å
116G92.9Very high90Very high0 Ų020.6 Ų20.60%011%0.113CC..THydrogen-bonded Turntrans68.735.3-177.800000113.2C112 Y133 G352C112-G116 WeakPolarHBondContact O-CA 3.36Å; C112-G116 PolarHBondContact O-N 3.43Å; G116-Y133 VanDerWaalsContact CA-CE1 3.42Å; G116-Y133 VanDerWaalsContact CA-CZ 3.49Å; G116-G352 WeakPolarHBondContact O-CA 3.46Å
117I94.7Very high89.2Confident0 Ų023 Ų230%012%0.121CC..  trans-102.6124.3-179.4-57.4-56.2000109.4V93 I96 C112 F115 H119 Y133 P338 L341 W349V93-I117 HydrophobicContact CG2-CG2 4.44Å; V93-I117 WeakPolarHBondContact O-CD1 3.5Å; I96-I117 HydrophobicContact CG1-CG2 4.17Å; C112-I117 WeakPolarHBondContact CB-O 3.45Å; C112-I117 PolarHBondContact O-N 3.26Å; F115-I117 HydrophobicContact CB-CG1 3.98Å; I117-H119 PolarHBondContact O-N 3Å; I117-Y133 WeakPolarHBondContact O-CB 3.36Å; I117-P338 HydrophobicContact CD1-CG 4.42Å; I117-L341 HydrophobicContact CD1-CD1 3.96Å; I117-W349 HydrophobicContact CD1-CB 3.95Å; I117-W349 HydrophobicContact CD1-CD2 4.18Å; I117-W349 HydrophobicContact CD1-CE3 3.66Å; I117-W349 HydrophobicContact CD1-CG 4.35Å; I117-W349 HydrophobicContact CD1-CZ3 4.47Å
118P94.6Very high88Confident0 Ų023 Ų230%012%0.117CC..  trans-51.8130.8170.4-28.333.3000113.5I94 A95 I96 Y133 L355I94-P118 VanDerWaalsContact O-CD 3.32Å; I94-P118 WeakPolarHBondContact O-CD 3.24Å; A95-P118 CarbonylContact C-O 3.52Å; A95-P118 VanDerWaalsContact CA-O 3.3Å; A95-P118 WeakPolarHBondContact CA-O 3.46Å; A95-P118 HydrophobicContact CB-CB 4.28Å; I96-P118 PolarHBondContact N-O 3.17Å; P118-Y133 CarbonylContact C-O 3.54Å; P118-Y133 WeakPolarHBondContact CA-O 3.22Å; P118-L355 HydrophobicContact CG-CD2 4.19Å; P118-L355 HydrophobicContact CG-CG 4.41Å
119H94Very high86.6Confident0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-112.9113.5175.8-175.5-151.5000109.7I96 G98 S105 Q109 C112 I117 Q121 Y133 L135I96-H119 CarbonylContact O-C 3.54Å; I96-H119 WeakPolarHBondContact O-CA 3.33Å; I96-H119 PolarHBondContact O-CD2 3.29Å; G98-H119 PolarHBondContact O-NE2 3.35Å; G98-H119 VanDerWaalsContact O-NE2 3.08Å; S105-H119 PolarHBondContact O-CE1 3.3Å; S105-H119 PolarHBondContact OG-CE1 3.05Å; Q109-H119 PolarHBondContact OE1-ND1 3.08Å; C112-H119 HydrophobicContact CB-CB 3.94Å; I117-H119 PolarHBondContact O-N 3Å; H119-Q121 PolarHBondContact CE1-NE2 3.03Å; H119-Q121 PolarHBondContact ND1-NE2 3.36Å; H119-Q121 VanDerWaalsContact ND1-NE2 3.16Å; H119-Y133 PolarHBondContact N-O 3.13Å; H119-L135 PolarHBondContact O-N 3.34Å
120L93.6Very high85Confident6 Ų629.1 Ų29.13%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-92117.2178.5-61.8177.9000109.9I96 Y97 G98 L135 L319 L322I96-L120 PolarHBondContact O-N 3.43Å; Y97-L120 HydrophobicContact CD2-CB 4.37Å; G98-L120 PolarHBondContact N-O 3Å; L120-L135 HydrophobicContact CD2-CB 4Å; L120-L135 HydrophobicContact CD2-CD1 4.11Å; L120-L319 HydrophobicContact CD1-CD2 4.13Å; L120-L322 HydrophobicContact CD1-CB 4.13Å; L120-L322 HydrophobicContact CD1-CD2 3.94Å
121Q91.9Very high84Confident2 Ų235.8 Ų35.81%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-116.3149.9-175.4-66.2169.5-36.800110.6S105 H119 Q128 L135 N136 V137S105-Q121 PolarHBondContact OG-NE2 3.49Å; H119-Q121 PolarHBondContact CE1-NE2 3.03Å; H119-Q121 PolarHBondContact ND1-NE2 3.36Å; H119-Q121 VanDerWaalsContact ND1-NE2 3.16Å; Q121-Q128 VanDerWaalsContact NE2-CD 3.28Å; Q121-Q128 VanDerWaalsContact NE2-NE2 3.18Å; Q121-Q128 VanDerWaalsContact NE2-OE1 3.13Å; Q121-L135 PolarHBondContact N-O 2.92Å; Q121-N136 HydrophobicContact CB-CB 4.07Å; Q121-N136 WeakPolarHBondContact O-CA 3.03Å; Q121-N136 PolarHBondContact O-OD1 2.94Å; Q121-N136 VanDerWaalsContact O-OD1 3.13Å; Q121-V137 PolarHBondContact O-N 2.83Å
122I89.2Confident83.3Confident8 Ų836.9 Ų36.94%0.04118%0.184CC..  trans-137.623.9177.865.2168.2000113Y97 V137 H311 L314 L315Y97-I122 HydrophobicContact CE2-CD1 3.95Å; Y97-I122 HydrophobicContact CE2-CG1 4.03Å; Y97-I122 HydrophobicContact CE2-CG2 4.06Å; Y97-I122 WeakPolarHBondContact OH-CD1 3.44Å; I122-V137 HydrophobicContact CB-CG2 4.47Å; I122-V137 HydrophobicContact CG2-CG2 3.41Å; I122-V137 VanDerWaalsContact CG2-CG2 3.41Å; I122-H311 WeakPolarHBondContact CD1-CE1 3.27Å; I122-H311 WeakPolarHBondContact CD1-ND1 3.26Å; I122-H311 VanDerWaalsContact CD1-NE2 3.34Å; I122-H311 WeakPolarHBondContact CD1-NE2 3.32Å; I122-L314 HydrophobicContact CB-CB 4.21Å; I122-L314 HydrophobicContact CD1-CB 4.34Å; I122-L314 HydrophobicContact CG2-CB 4.01Å; I122-L315 HydrophobicContact CD1-CB 4.39Å
123D85.5Confident83.2Confident17 Ų1738.6 Ų38.69%0.09119%0.19CC..SBendtrans-95.8172.3176.270.494.9000111.9G125 Q128 N136 H138D123-G125 PolarHBondContact O-N 3.07Å; D123-G125 WeakPolarHBondContact OD1-CA 3.25Å; D123-G125 PolarHBondContact OD1-N 3.41Å; D123-Q128 PolarHBondContact OD1-NE2 2.82Å; D123-Q128 VanDerWaalsContact OD1-NE2 3.15Å; D123-Q128 PolarHBondContact OD2-NE2 2.69Å; D123-N136 PolarHBondContact O-ND2 2.98Å; D123-N136 PolarHBondContact O-OD1 2.64Å; D123-H138 WeakPolarHBondContact O-CB 3.33Å
124W81.9Confident83.1Confident48 Ų4836 Ų3618%0.18218%0.177CC..  trans-73.9-4.9-173.7-57.8-15.3000115.1Y126 H138 Y141 K173W124-Y126 PolarHBondContact O-N 2.8Å; W124-H138 AromaticContact CD1-CD2 3.69Å; W124-H138 AromaticContact CD1-CE1 3.03Å; W124-H138 AromaticContact CD1-CG 3.89Å; W124-H138 AromaticContact CD1-ND1 3.45Å; W124-H138 AromaticContact CD1-NE2 3.16Å; W124-H138 AromaticContact NE1-CD2 3.9Å; W124-H138 AromaticContact NE1-CE1 3.36Å; W124-H138 PolarHBondContact NE1-CE1 3.47Å; W124-H138 AromaticContact NE1-NE2 3.1Å; W124-H138 PolarHBondContact NE1-NE2 3.27Å; W124-Y141 PolarHBondContact O-N 3.03Å; W124-K173 HydrophobicContact CE3-CD 4.47Å; W124-K173 HydrophobicContact CZ3-CD 4.33Å
125G77.5Confident83.1Confident2 Ų232 Ų322%0.02116%0.158CC..  trans78.712174.200000115.5D123 H127D123-G125 PolarHBondContact O-N 3.07Å; D123-G125 WeakPolarHBondContact OD1-CA 3.25Å; D123-G125 PolarHBondContact OD1-N 3.41Å; G125-H127 PolarHBondContact O-N 2.66Å
126Y77.1Confident83Confident63 Ų6332.1 Ų32.125%0.24716%0.159CC..SBendtrans-74.3-22.8-170.775.8-94.7000115.2P102 W124 E169 L172P102-Y126 HydrophobicContact CB-CE1 4.42Å; P102-Y126 WeakPolarHBondContact CG-OH 3.2Å; W124-Y126 PolarHBondContact O-N 2.8Å; Y126-E169 HydrophobicContact CE1-CB 4.33Å; Y126-E169 HydrophobicContact CE1-CG 4.39Å; Y126-E169 HydrophobicContact CE2-CB 3.98Å; Y126-L172 HydrophobicContact CD2-CD1 3.44Å; Y126-L172 VanDerWaalsContact CD2-CD1 3.44Å; Y126-L172 HydrophobicContact CE2-CD1 4.29Å; Y126-L172 HydrophobicContact CG-CD1 3.85Å
127H73Confident83Confident88 Ų8832.3 Ų32.341%0.40716%0.16SC..SBendtrans-107.3-7.1-178.2-160.225.7000113.6P102 Y103 G125P102-H127 HydrophobicContact CB-CB 3.96Å; Y103-H127 AromaticContact CD1-CD2 3.63Å; Y103-H127 AromaticContact CD1-NE2 3.37Å; Y103-H127 WeakPolarHBondContact CD1-NE2 3.23Å; Y103-H127 AromaticContact CE1-CD2 3.58Å; Y103-H127 AromaticContact CE1-NE2 3.1Å; Y103-H127 WeakPolarHBondContact CE1-NE2 3.37Å; G125-H127 PolarHBondContact O-N 2.66Å
128Q65.5Low82.8Confident19 Ų1932.9 Ų32.99%0.08916%0.162CC..  trans-95.3134.8-162.8-66.3177.71.700113.6S105 Q121 D123 S130S105-Q128 PolarHBondContact OG-NE2 3.12Å; S105-Q128 VanDerWaalsContact OG-NE2 3.11Å; Q121-Q128 VanDerWaalsContact NE2-CD 3.28Å; Q121-Q128 VanDerWaalsContact NE2-NE2 3.18Å; Q121-Q128 VanDerWaalsContact NE2-OE1 3.13Å; D123-Q128 PolarHBondContact OD1-NE2 2.82Å; D123-Q128 VanDerWaalsContact OD1-NE2 3.15Å; D123-Q128 PolarHBondContact OD2-NE2 2.69Å; Q128-S130 PolarHBondContact O-N 3.18Å
129T62.2Low82.6Confident125 Ų12532.9 Ų32.977%0.76716%0.163SC*.  trans-89.587.9167.956.90000109.1R131T129-R131 PolarHBondContact O-N 3.44Å
130S59.2Low82.4Confident14 Ų1433.6 Ų33.610%0.09817%0.166CC..  trans-72.895.3-176.948.50000112.8Q128 H379 W381Q128-S130 PolarHBondContact O-N 3.18Å; S130-H379 WeakPolarHBondContact CB-O 3.43Å; S130-H379 PolarHBondContact O-CD2 3.26Å; S130-H379 WeakPolarHBondContact OG-CB 3.47Å; S130-W381 WeakPolarHBondContact OG-CZ2 3.19Å; S130-W381 PolarHBondContact OG-NE1 3.04Å
131R69.3Low82.1Confident202 Ų20235.2 Ų35.276%0.76217%0.172SC*.  trans-136.5136.8164.6-68.6-171.7177.7-1790.3109.8N113 T129N113-R131 PolarHBondContact ND2-O 3.48Å; N113-R131 PolarHBondContact OD1-O 2.97Å; N113-R131 VanDerWaalsContact OD1-O 3.13Å; T129-R131 PolarHBondContact O-N 3.44Å
132G77.6Confident81.9Confident40 Ų4038.7 Ų38.741%0.41219%0.19SC..SBendtrans96.9-105.8167.700000113.5
133Y90.6Very high81.9Confident35 Ų3538.7 Ų38.714%0.13719%0.191CC..SBendtrans-10316-162.9-64.2-95.9000114.3N113 G116 I117 P118 H119 L353 I356N113-Y133 PolarHBondContact OD1-N 2.83Å; G116-Y133 VanDerWaalsContact CA-CE1 3.42Å; G116-Y133 VanDerWaalsContact CA-CZ 3.49Å; I117-Y133 WeakPolarHBondContact O-CB 3.36Å; P118-Y133 CarbonylContact C-O 3.54Å; P118-Y133 WeakPolarHBondContact CA-O 3.22Å; H119-Y133 PolarHBondContact N-O 3.13Å; Y133-L353 HydrophobicContact CE1-CB 3.9Å; Y133-L353 HydrophobicContact CE1-CD1 4.31Å; Y133-I356 WeakPolarHBondContact O-CD1 3.36Å
134A90.5Very high82.2Confident2 Ų238.2 Ų38.22%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-89.3140.5179.300000112.2
135L91.4Very high82.7Confident1 Ų136 Ų361%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-133.8112.1167-78.9170.7000109.4H119 L120 Q121 I356 I359 K360 F376H119-L135 PolarHBondContact O-N 3.34Å; L120-L135 HydrophobicContact CD2-CB 4Å; L120-L135 HydrophobicContact CD2-CD1 4.11Å; Q121-L135 PolarHBondContact N-O 2.92Å; L135-I356 HydrophobicContact CD1-CD1 4.38Å; L135-I356 HydrophobicContact CD1-CG1 3.73Å; L135-I356 HydrophobicContact CD2-CG1 4.3Å; L135-I356 HydrophobicContact CG-CD1 3.99Å; L135-I356 HydrophobicContact CG-CG1 3.79Å; L135-I359 HydrophobicContact CD1-CB 3.82Å; L135-I359 HydrophobicContact CD1-CD1 3.82Å; L135-I359 HydrophobicContact CD1-CG1 4.44Å; L135-I359 HydrophobicContact CD1-CG2 3.49Å; L135-I359 VanDerWaalsContact CD1-CG2 3.49Å; L135-K360 HydrophobicContact CD2-CD 4.26Å; L135-K360 HydrophobicContact CD2-CG 3.62Å; L135-F376 HydrophobicContact CD2-CD1 3.81Å; L135-F376 HydrophobicContact CD2-CD2 4.19Å; L135-F376 HydrophobicContact CD2-CE1 3.91Å; L135-F376 HydrophobicContact CD2-CE2 4.28Å; L135-F376 HydrophobicContact CD2-CG 3.94Å; L135-F376 HydrophobicContact CD2-CZ 4.13Å
136N91.5Very high83.4Confident3 Ų339 Ų392%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-103.4113.1176.3-168.3-7.4000110.3Q121 D123 H138 G380 R382Q121-N136 HydrophobicContact CB-CB 4.07Å; Q121-N136 WeakPolarHBondContact O-CA 3.03Å; Q121-N136 PolarHBondContact O-OD1 2.94Å; Q121-N136 VanDerWaalsContact O-OD1 3.13Å; D123-N136 PolarHBondContact O-ND2 2.98Å; D123-N136 PolarHBondContact O-OD1 2.64Å; N136-H138 WeakPolarHBondContact OD1-CB 3.27Å; N136-H138 PolarHBondContact OD1-N 3.47Å; N136-G380 PolarHBondContact N-O 3.47Å; N136-R382 PolarHBondContact O-N 3.02Å
137V91.9Very high84.1Confident4 Ų436 Ų362%0.02418%0.182CC..EExtended strand (participates in β ladder)trans-86.6-12.4179.7-65.60000112.9Q121 I122 L314 L321 F374 F376 R382Q121-V137 PolarHBondContact O-N 2.83Å; I122-V137 HydrophobicContact CB-CG2 4.47Å; I122-V137 HydrophobicContact CG2-CG2 3.41Å; I122-V137 VanDerWaalsContact CG2-CG2 3.41Å; V137-L314 HydrophobicContact CG2-CB 4.41Å; V137-L314 HydrophobicContact CG2-CD2 4.34Å; V137-L314 WeakPolarHBondContact O-CD2 3.41Å; V137-L321 HydrophobicContact CG1-CD1 3.8Å; V137-F374 HydrophobicContact CB-CD1 4.35Å; V137-F374 HydrophobicContact CB-CE1 3.7Å; V137-F374 HydrophobicContact CB-CZ 4.43Å; V137-F374 HydrophobicContact CG1-CD1 4.36Å; V137-F374 HydrophobicContact CG1-CE1 4.08Å; V137-F376 HydrophobicContact CG1-CE1 4.11Å; V137-F376 HydrophobicContact CG1-CZ 3.88Å; V137-R382 VanDerWaalsContact O-CD 3.22Å; V137-R382 WeakPolarHBondContact O-CD 3.41Å; V137-R382 PolarHBondContact O-NH1 3.24Å
138H91.6Very high85.1Confident11 Ų1131.8 Ų31.85%0.05116%0.163CC..EExtended strand (participates in β ladder)trans-73.4140.3171.9-170.4-67.5000109.8D123 W124 N136 H140 W246 L314D123-H138 WeakPolarHBondContact O-CB 3.33Å; W124-H138 AromaticContact CD1-CD2 3.69Å; W124-H138 AromaticContact CD1-CE1 3.03Å; W124-H138 AromaticContact CD1-CG 3.89Å; W124-H138 AromaticContact CD1-ND1 3.45Å; W124-H138 AromaticContact CD1-NE2 3.16Å; W124-H138 AromaticContact NE1-CD2 3.9Å; W124-H138 AromaticContact NE1-CE1 3.36Å; W124-H138 PolarHBondContact NE1-CE1 3.47Å; W124-H138 AromaticContact NE1-NE2 3.1Å; W124-H138 PolarHBondContact NE1-NE2 3.27Å; N136-H138 WeakPolarHBondContact OD1-CB 3.27Å; N136-H138 PolarHBondContact OD1-N 3.47Å; H138-H140 PolarHBondContact O-N 3.39Å; H138-W246 AromaticContact CE1-NE1 3.49Å; H138-W246 PolarHBondContact CE1-NE1 3.12Å; H138-W246 AromaticContact NE2-CD1 3.87Å; H138-W246 AromaticContact NE2-CE2 4Å; H138-W246 AromaticContact NE2-NE1 3.04Å; H138-W246 PolarHBondContact NE2-NE1 2.92Å; H138-L314 HydrophobicContact CB-CD1 4.16Å; H138-L314 WeakPolarHBondContact CD2-CD1 3.4Å
139P90.5Very high86.5Confident1 Ų132.4 Ų32.41%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-53.1137170.6-23.830.2000112.4I269 A385 L387P139-I269 HydrophobicContact CG-CD1 4.19Å; P139-I269 HydrophobicContact CG-CG2 3.94Å; P139-A385 HydrophobicContact CB-CB 3.66Å; P139-A385 HydrophobicContact CG-CB 3.78Å; P139-L387 HydrophobicContact CB-CD2 4.49Å; P139-L387 HydrophobicContact CG-CD2 4.33Å
140H88.6Confident87.9Confident15 Ų1526.6 Ų26.67%0.06913%0.129CC..PPolyproline II helixtrans-65.7141.4177.4-170.2-103.3000111.7H138 L142 A143 F144 W381H138-H140 PolarHBondContact O-N 3.39Å; H140-L142 VanDerWaalsContact CE1-CD1 3.5Å; H140-L142 WeakPolarHBondContact CE1-CD1 3.16Å; H140-L142 VanDerWaalsContact CE1-CG 3.47Å; H140-L142 WeakPolarHBondContact CE1-CG 2.85Å; H140-L142 WeakPolarHBondContact ND1-CB 3.06Å; H140-L142 PolarHBondContact ND1-N 3.44Å; H140-L142 PolarHBondContact O-N 3.3Å; H140-L142 VanDerWaalsContact O-N 3.13Å; H140-A143 WeakPolarHBondContact O-CB 3.33Å; H140-A143 PolarHBondContact O-N 3.38Å; H140-F144 PolarHBondContact O-N 2.88Å; H140-W381 HydrophobicContact CB-CE3 4.1Å; H140-W381 AromaticContact CD2-CD2 3.76Å; H140-W381 AromaticContact CD2-CE3 3.14Å; H140-W381 AromaticContact CD2-CH2 3.53Å; H140-W381 AromaticContact CD2-CZ3 3.05Å; H140-W381 WeakPolarHBondContact CD2-CZ3 3.36Å; H140-W381 AromaticContact CE1-CE3 3.92Å; H140-W381 AromaticContact CE1-CH2 3.75Å; H140-W381 AromaticContact CE1-CZ3 3.19Å; H140-W381 WeakPolarHBondContact CE1-CZ3 3.27Å; H140-W381 AromaticContact CG-CE3 3.39Å; H140-W381 AromaticContact CG-CZ3 3.51Å; H140-W381 AromaticContact ND1-CE3 3.88Å; H140-W381 AromaticContact ND1-CZ3 3.58Å; H140-W381 AromaticContact NE2-CE3 3.55Å; H140-W381 AromaticContact NE2-CH2 3.09Å; H140-W381 WeakPolarHBondContact NE2-CH2 3.37Å; H140-W381 AromaticContact NE2-CZ2 3.96Å; H140-W381 AromaticContact NE2-CZ3 2.87Å; H140-W381 WeakPolarHBondContact NE2-CZ3 3.37Å
141Y88.1Confident89.6Confident40 Ų4026 Ų2616%0.15712%0.124CC..Hα-helixtrans-58.9-30.9-174.278.7-90000113.8W124 A143 F144 G145 L172W124-Y141 PolarHBondContact O-N 3.03Å; Y141-A143 VanDerWaalsContact C-N 3.32Å; Y141-A143 PolarHBondContact O-N 3.2Å; Y141-F144 PolarHBondContact O-N 2.95Å; Y141-G145 PolarHBondContact O-N 3.02Å; Y141-L172 HydrophobicContact CD2-CB 4.32Å; Y141-L172 VanDerWaalsContact CD2-O 3.25Å; Y141-L172 WeakPolarHBondContact CD2-O 3.45Å; Y141-L172 HydrophobicContact CE2-CB 4.07Å; Y141-L172 WeakPolarHBondContact CE2-O 3.5Å
142L87.8Confident90.7Very high74 Ų7416.4 Ų16.439%0.3879%0.088SC..Hα-helixtrans-64.7-36.1177.8-67.6170.9000112.3H140 G145 Q146H140-L142 VanDerWaalsContact CE1-CD1 3.5Å; H140-L142 WeakPolarHBondContact CE1-CD1 3.16Å; H140-L142 VanDerWaalsContact CE1-CG 3.47Å; H140-L142 WeakPolarHBondContact CE1-CG 2.85Å; H140-L142 WeakPolarHBondContact ND1-CB 3.06Å; H140-L142 PolarHBondContact ND1-N 3.44Å; H140-L142 PolarHBondContact O-N 3.3Å; H140-L142 VanDerWaalsContact O-N 3.13Å; L142-G145 PolarHBondContact O-N 3.44Å; L142-Q146 WeakPolarHBondContact O-CB 3.44Å; L142-Q146 PolarHBondContact O-N 2.81Å
143A89.1Confident91.1Very high9 Ų917.1 Ų17.17%0.0748%0.081CC..Hα-helixtrans-66.4-42.417700000110.5H140 Y141 Q146 A147 W403 M405H140-A143 WeakPolarHBondContact O-CB 3.33Å; H140-A143 PolarHBondContact O-N 3.38Å; Y141-A143 VanDerWaalsContact C-N 3.32Å; Y141-A143 PolarHBondContact O-N 3.2Å; A143-Q146 PolarHBondContact O-N 3.39Å; A143-A147 WeakPolarHBondContact O-CB 3.4Å; A143-A147 PolarHBondContact O-N 3.23Å; A143-W403 HydrophobicContact CB-CH2 4.09Å; A143-W403 HydrophobicContact CB-CZ3 4.02Å; A143-W403 VanDerWaalsContact O-CH2 3.25Å; A143-W403 WeakPolarHBondContact O-CH2 3.17Å; A143-W403 WeakPolarHBondContact O-CZ3 3.48Å; A143-M405 HydrophobicContact CB-SD 4.25Å
144F91.7Very high90.9Very high6 Ų620.9 Ų20.93%0.02610%0.098CC..Hα-helixtrans-62.5-44.6173.2176.6-98.7000112.3H140 Y141 Q146 A147 L148 K173 F174 T244 W246 F267 L387H140-F144 PolarHBondContact O-N 2.88Å; Y141-F144 PolarHBondContact O-N 2.95Å; F144-Q146 VanDerWaalsContact C-N 3.3Å; F144-Q146 PolarHBondContact O-N 2.96Å; F144-A147 PolarHBondContact O-N 3.46Å; F144-L148 HydrophobicContact CE1-CD2 4.17Å; F144-L148 WeakPolarHBondContact O-CB 3.14Å; F144-L148 PolarHBondContact O-N 3.43Å; F144-K173 HydrophobicContact CD1-CB 4.12Å; F144-K173 HydrophobicContact CD1-CD 4.01Å; F144-K173 HydrophobicContact CD1-CG 4.31Å; F144-K173 HydrophobicContact CE1-CB 4.41Å; F144-K173 HydrophobicContact CE1-CD 3.98Å; F144-F174 HydrophobicContact CE1-CE1 4.44Å; F144-T244 HydrophobicContact CE1-CG2 4.18Å; F144-T244 HydrophobicContact CZ-CG2 3.88Å; F144-W246 AromaticContact CD2-CH2 3.45Å; F144-W246 HydrophobicContact CD2-CH2 3.45Å; F144-W246 VanDerWaalsContact CD2-CH2 3.45Å; F144-W246 HydrophobicContact CD2-CZ2 4.04Å; F144-W246 HydrophobicContact CD2-CZ3 4.01Å; F144-W246 HydrophobicContact CE2-CH2 4.03Å; F144-W246 HydrophobicContact CE2-CZ3 4.17Å; F144-W246 HydrophobicContact CG-CH2 4.31Å; F144-F267 HydrophobicContact CE2-CB 3.78Å; F144-F267 HydrophobicContact CE2-CD1 4.31Å; F144-F267 HydrophobicContact CE2-CD2 4.14Å; F144-F267 AromaticContact CE2-CG 3.82Å; F144-F267 HydrophobicContact CE2-CG 3.82Å; F144-L387 HydrophobicContact CD2-CD1 4.47Å
145G92.1Very high90.7Very high1 Ų121.8 Ų21.81%0.0111%0.105CC..Hα-helixtrans-59.9-39.8178.300000113.2Y141 L142 Y149 K173Y141-G145 PolarHBondContact O-N 3.02Å; L142-G145 PolarHBondContact O-N 3.44Å; G145-Y149 PolarHBondContact O-N 2.87Å; G145-K173 WeakPolarHBondContact CA-O 3.24Å
146Q91.6Very high90.4Very high65 Ų6524 Ų2430%0.30412%0.116SC..Hα-helixtrans-69.3-41.7175.3-169.5178.2-16.200112L142 A143 F144 L148 Y149 D150 Y176 W403L142-Q146 WeakPolarHBondContact O-CB 3.44Å; L142-Q146 PolarHBondContact O-N 2.81Å; A143-Q146 PolarHBondContact O-N 3.39Å; F144-Q146 VanDerWaalsContact C-N 3.3Å; F144-Q146 PolarHBondContact O-N 2.96Å; Q146-L148 VanDerWaalsContact C-N 3.33Å; Q146-L148 PolarHBondContact O-N 2.9Å; Q146-Y149 PolarHBondContact O-N 3.39Å; Q146-D150 WeakPolarHBondContact O-CB 3.43Å; Q146-D150 PolarHBondContact O-N 3.32Å; Q146-Y176 HydrophobicContact CG-CE1 4.26Å; Q146-W403 HydrophobicContact CB-CH2 4.35Å; Q146-W403 HydrophobicContact CB-CZ2 3.93Å; Q146-W403 HydrophobicContact CG-CZ2 3.87Å
147A93.5Very high90.1Very high0 Ų031.2 Ų31.20%014%0.144CC..Hα-helixtrans-61.5-41.9175.400000112.6A143 F144 D150 Y151 F267 L387 W403A143-A147 WeakPolarHBondContact O-CB 3.4Å; A143-A147 PolarHBondContact O-N 3.23Å; F144-A147 PolarHBondContact O-N 3.46Å; A147-D150 PolarHBondContact O-N 3.48Å; A147-Y151 PolarHBondContact O-N 3.39Å; A147-F267 HydrophobicContact CB-CE1 4.17Å; A147-L387 HydrophobicContact CB-CD1 3.58Å; A147-W403 HydrophobicContact CB-CB 4.09Å; A147-W403 HydrophobicContact CB-CD2 3.38Å; A147-W403 HydrophobicContact CB-CE3 3.68Å; A147-W403 HydrophobicContact CB-CG 3.55Å; A147-W403 HydrophobicContact CB-CH2 4.49Å; A147-W403 HydrophobicContact CB-CZ2 4.29Å; A147-W403 HydrophobicContact CB-CZ3 4.23Å
148L94Very high89.9Confident0 Ų031.4 Ų31.40%014%0.144CC..Hα-helixtrans-64.1-44.5176.2179.862.6000111.4F144 Q146 Y151 V152 F174 I214 V242 F267F144-L148 HydrophobicContact CE1-CD2 4.17Å; F144-L148 WeakPolarHBondContact O-CB 3.14Å; F144-L148 PolarHBondContact O-N 3.43Å; Q146-L148 VanDerWaalsContact C-N 3.33Å; Q146-L148 PolarHBondContact O-N 2.9Å; L148-Y151 PolarHBondContact O-N 2.96Å; L148-V152 HydrophobicContact CD1-CG2 4.14Å; L148-V152 HydrophobicContact CG-CG2 4.48Å; L148-V152 WeakPolarHBondContact O-CB 3.22Å; L148-V152 VanDerWaalsContact O-CG2 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.42Å; L148-V152 PolarHBondContact O-N 3.49Å; L148-F174 HydrophobicContact CD2-CD1 3.58Å; L148-F174 HydrophobicContact CD2-CE1 3.54Å; L148-I214 HydrophobicContact CD1-CD1 4.44Å; L148-I214 HydrophobicContact CD2-CD1 4.21Å; L148-I214 HydrophobicContact CD2-CG2 4.21Å; L148-I214 HydrophobicContact CG-CD1 4.42Å; L148-V242 HydrophobicContact CD1-CG1 3.64Å; L148-F267 HydrophobicContact CD1-CE2 3.77Å; L148-F267 HydrophobicContact CD1-CZ 4.22Å
149Y92.8Very high89.4Confident33 Ų3336.1 Ų36.113%0.12917%0.17CC..Hα-helixtrans-60.2-47.3174.2171.1-91.6000111.9G145 Q146 Y151 V152 Q153 Y176 L177 T180G145-Y149 PolarHBondContact O-N 2.87Å; Q146-Y149 PolarHBondContact O-N 3.39Å; Y149-Y151 VanDerWaalsContact C-N 3.28Å; Y149-Y151 PolarHBondContact O-N 2.83Å; Y149-V152 PolarHBondContact O-N 3.38Å; Y149-Q153 HydrophobicContact CD2-CB 4.46Å; Y149-Q153 HydrophobicContact CE1-CB 4.33Å; Y149-Q153 HydrophobicContact CE2-CB 4.08Å; Y149-Q153 HydrophobicContact CE2-CG 4.31Å; Y149-Q153 WeakPolarHBondContact O-CB 3.14Å; Y149-Q153 PolarHBondContact O-N 2.85Å; Y149-Y176 HydrophobicContact CD1-CD1 4.04Å; Y149-Y176 AromaticContact CD1-CE1 3.49Å; Y149-Y176 HydrophobicContact CD1-CE1 3.49Å; Y149-Y176 VanDerWaalsContact CD1-CE1 3.49Å; Y149-Y176 HydrophobicContact CD2-CD1 4.28Å; Y149-Y176 HydrophobicContact CD2-CE1 4.31Å; Y149-Y176 AromaticContact CE1-CE1 3.97Å; Y149-Y176 HydrophobicContact CE1-CE1 3.97Å; Y149-Y176 AromaticContact CG-CD1 3.72Å; Y149-Y176 HydrophobicContact CG-CD1 3.72Å; Y149-Y176 AromaticContact CG-CE1 3.66Å; Y149-Y176 HydrophobicContact CG-CE1 3.66Å; Y149-L177 HydrophobicContact CD2-CD1 3.96Å; Y149-T180 HydrophobicContact CE1-CG2 4.48Å; Y149-T180 HydrophobicContact CE2-CG2 3.74Å; Y149-T180 WeakPolarHBondContact OH-CG2 3.44Å
150D92.9Very high89.1Confident3 Ų338.8 Ų38.82%0.01619%0.186CC..Iπ-helixtrans-59.3-41.1179.1-79.7-12.9000111.2Q146 A147 K154 A155 W403 L409Q146-D150 WeakPolarHBondContact O-CB 3.43Å; Q146-D150 PolarHBondContact O-N 3.32Å; A147-D150 PolarHBondContact O-N 3.48Å; D150-K154 HydrophobicContact CB-CD 4.2Å; D150-K154 WeakPolarHBondContact O-CA 3.5Å; D150-K154 WeakPolarHBondContact O-CB 3.36Å; D150-K154 PolarHBondContact O-N 3.42Å; D150-K154 WeakPolarHBondContact OD1-CE 3.47Å; D150-K154 IonicContact OD1-NZ 2.66Å; D150-K154 PolarHBondContact OD1-NZ 3.47Å; D150-K154 IonicContact OD2-NZ 3.93Å; D150-A155 PolarHBondContact O-N 3.31Å; D150-W403 PolarHBondContact OD2-NE1 2.9Å; D150-L409 HydrophobicContact CB-CB 4.05Å; D150-L409 HydrophobicContact CB-CD2 4.48Å
151Y94.1Very high89.2Confident1 Ų138.1 Ų38.10%0.00418%0.183CC..Iπ-helixtrans-64.3-52.9174.9177.2-102.3000112.2A147 L148 Y149 Q153 A155 E156 V242 T265 F267 I389 Y400A147-Y151 PolarHBondContact O-N 3.39Å; L148-Y151 PolarHBondContact O-N 2.96Å; Y149-Y151 VanDerWaalsContact C-N 3.28Å; Y149-Y151 PolarHBondContact O-N 2.83Å; Y151-Q153 PolarHBondContact O-N 3.38Å; Y151-A155 HydrophobicContact CD2-CB 4.04Å; Y151-A155 HydrophobicContact CE2-CB 4.38Å; Y151-A155 WeakPolarHBondContact O-CB 3.39Å; Y151-A155 PolarHBondContact O-N 2.87Å; Y151-E156 HydrophobicContact CD1-CG 4.44Å; Y151-E156 HydrophobicContact CE1-CG 3.79Å; Y151-E156 HydrophobicContact CE2-CG 3.94Å; Y151-E156 VanDerWaalsContact CZ-CG 3.49Å; Y151-E156 PolarHBondContact O-N 3.38Å; Y151-E156 PolarHBondContact OH-OE1 3.33Å; Y151-V242 HydrophobicContact CD1-CG2 4.09Å; Y151-V242 HydrophobicContact CE1-CG2 3.55Å; Y151-T265 HydrophobicContact CE1-CG2 3.92Å; Y151-T265 HydrophobicContact CE2-CG2 4.12Å; Y151-T265 PolarHBondContact OH-OG1 3.23Å; Y151-F267 HydrophobicContact CD1-CE2 4.5Å; Y151-F267 HydrophobicContact CD1-CZ 4.38Å; Y151-F267 HydrophobicContact CG-CZ 4.13Å; Y151-I389 HydrophobicContact CD2-CD1 3.84Å; Y151-I389 HydrophobicContact CD2-CG2 4.1Å; Y151-I389 HydrophobicContact CE2-CG2 4.11Å; Y151-I389 HydrophobicContact CG-CD1 4.22Å; Y151-Y400 HydrophobicContact CD2-CD1 4.35Å; Y151-Y400 HydrophobicContact CD2-CE1 4.1Å; Y151-Y400 AromaticContact CE2-CD1 3.98Å; Y151-Y400 HydrophobicContact CE2-CD1 3.98Å; Y151-Y400 AromaticContact CE2-CE1 3.75Å; Y151-Y400 HydrophobicContact CE2-CE1 3.75Å; Y151-Y400 HydrophobicContact CE2-CG 4.49Å
152V92.1Very high89.4Confident0 Ų036.2 Ų36.20%018%0.175CC..Iπ-helixtrans-61.8-44-176.31690000111.9L148 Y149 Y157 W158 V161 L177 F181 I214L148-V152 HydrophobicContact CD1-CG2 4.14Å; L148-V152 HydrophobicContact CG-CG2 4.48Å; L148-V152 WeakPolarHBondContact O-CB 3.22Å; L148-V152 VanDerWaalsContact O-CG2 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.42Å; L148-V152 PolarHBondContact O-N 3.49Å; Y149-V152 PolarHBondContact O-N 3.38Å; V152-Y157 PolarHBondContact O-N 3.28Å; V152-W158 HydrophobicContact CB-CE3 4.46Å; V152-W158 HydrophobicContact CG1-CB 3.93Å; V152-W158 HydrophobicContact CG1-CD2 4.22Å; V152-W158 HydrophobicContact CG1-CE3 3.8Å; V152-W158 HydrophobicContact CG1-CG 4.31Å; V152-W158 HydrophobicContact CG2-CE3 4.07Å; V152-W158 HydrophobicContact CG2-CZ3 4.28Å; V152-W158 PolarHBondContact O-N 3Å; V152-V161 HydrophobicContact CG1-CG2 4Å; V152-L177 HydrophobicContact CG1-CD1 4.45Å; V152-F181 HydrophobicContact CG1-CE2 4.36Å; V152-I214 HydrophobicContact CG2-CD1 4.21Å
153Q87.5Confident89.7Confident55 Ų5532.7 Ų32.726%0.25716%0.157SC..Iπ-helixtrans-91.3-42.6-173.8-167.665.118.100113.3Y149 Y151 Y157Y149-Q153 HydrophobicContact CD2-CB 4.46Å; Y149-Q153 HydrophobicContact CE1-CB 4.33Å; Y149-Q153 HydrophobicContact CE2-CB 4.08Å; Y149-Q153 HydrophobicContact CE2-CG 4.31Å; Y149-Q153 WeakPolarHBondContact O-CB 3.14Å; Y149-Q153 PolarHBondContact O-N 2.85Å; Y151-Q153 PolarHBondContact O-N 3.38Å; Q153-Y157 WeakPolarHBondContact O-CA 3.1Å
154K85.7Confident90Very high115 Ų11532.3 Ų32.350%0.515%0.153SC..Iπ-helixtrans-94.5-32.3-171.1-54.3175.1174.2163.50113.5D150 Y157D150-K154 HydrophobicContact CB-CD 4.2Å; D150-K154 WeakPolarHBondContact O-CA 3.5Å; D150-K154 WeakPolarHBondContact O-CB 3.36Å; D150-K154 PolarHBondContact O-N 3.42Å; D150-K154 WeakPolarHBondContact OD1-CE 3.47Å; D150-K154 IonicContact OD1-NZ 2.66Å; D150-K154 PolarHBondContact OD1-NZ 3.47Å; D150-K154 IonicContact OD2-NZ 3.93Å; K154-Y157 WeakPolarHBondContact O-CE2 3.34Å; K154-Y157 VanDerWaalsContact O-CZ 3.28Å; K154-Y157 PolarHBondContact O-OH 3Å
155A86.4Confident90.1Very high21 Ų2133.6 Ų33.617%0.17416%0.158CC..Iπ-helixtrans-89.7-45.8177.300000112D150 Y151 Y400 L409D150-A155 PolarHBondContact O-N 3.31Å; Y151-A155 HydrophobicContact CD2-CB 4.04Å; Y151-A155 HydrophobicContact CE2-CB 4.38Å; Y151-A155 WeakPolarHBondContact O-CB 3.39Å; Y151-A155 PolarHBondContact O-N 2.87Å; A155-Y400 HydrophobicContact CB-CE1 4.12Å; A155-L409 HydrophobicContact CB-CD2 3.65Å
156E86Confident90Very high47 Ų4734.7 Ų34.722%0.2217%0.166CC..SBendtrans-103-13.9-171.5-65.6-76.8151.900114.8Y151 W158Y151-E156 HydrophobicContact CD1-CG 4.44Å; Y151-E156 HydrophobicContact CE1-CG 3.79Å; Y151-E156 HydrophobicContact CE2-CG 3.94Å; Y151-E156 VanDerWaalsContact CZ-CG 3.49Å; Y151-E156 PolarHBondContact O-N 3.38Å; Y151-E156 PolarHBondContact OH-OE1 3.33Å; E156-W158 VanDerWaalsContact C-N 3.32Å; E156-W158 HydrophobicContact CB-CD2 4.48Å; E156-W158 HydrophobicContact CB-CG 4.17Å; E156-W158 VanDerWaalsContact CB-NE1 3.25Å; E156-W158 PolarHBondContact O-N 3.49Å
157Y84.8Confident89.8Confident155 Ų15536.9 Ų36.961%0.60817%0.171SC*.  trans52.146.2180-52.9-88.7000113.1V152 Q153 K154 D159V152-Y157 PolarHBondContact O-N 3.28Å; Q153-Y157 WeakPolarHBondContact O-CA 3.1Å; K154-Y157 WeakPolarHBondContact O-CE2 3.34Å; K154-Y157 VanDerWaalsContact O-CZ 3.28Å; K154-Y157 PolarHBondContact O-OH 3Å; Y157-D159 PolarHBondContact O-N 3.35Å
158W86.7Confident89.6Confident8 Ų842.4 Ų42.43%0.0320%0.197CC..  trans-74122.3-179.5-70.71.8000111.7V152 E156 V161 F181 R212 I214 S240 V242V152-W158 HydrophobicContact CB-CE3 4.46Å; V152-W158 HydrophobicContact CG1-CB 3.93Å; V152-W158 HydrophobicContact CG1-CD2 4.22Å; V152-W158 HydrophobicContact CG1-CE3 3.8Å; V152-W158 HydrophobicContact CG1-CG 4.31Å; V152-W158 HydrophobicContact CG2-CE3 4.07Å; V152-W158 HydrophobicContact CG2-CZ3 4.28Å; V152-W158 PolarHBondContact O-N 3Å; E156-W158 VanDerWaalsContact C-N 3.32Å; E156-W158 HydrophobicContact CB-CD2 4.48Å; E156-W158 HydrophobicContact CB-CG 4.17Å; E156-W158 VanDerWaalsContact CB-NE1 3.25Å; E156-W158 PolarHBondContact O-N 3.49Å; W158-V161 HydrophobicContact CB-CG2 4.02Å; W158-V161 HydrophobicContact CE3-CG1 4.48Å; W158-V161 HydrophobicContact CE3-CG2 3.79Å; W158-F181 VanDerWaalsContact O-CE2 3.23Å; W158-F181 WeakPolarHBondContact O-CE2 3.13Å; W158-F181 WeakPolarHBondContact O-CZ 3.3Å; W158-R212 HydrophobicContact CD2-CB 3.55Å; W158-R212 HydrophobicContact CD2-CG 3.78Å; W158-R212 HydrophobicContact CE3-CB 3.51Å; W158-R212 HydrophobicContact CE3-CG 4.28Å; W158-R212 HydrophobicContact CG-CB 4.14Å; W158-R212 HydrophobicContact CG-CG 3.93Å; W158-R212 HydrophobicContact CH2-CB 3.96Å; W158-R212 HydrophobicContact CZ2-CB 4.08Å; W158-R212 HydrophobicContact CZ2-CG 4.39Å; W158-R212 HydrophobicContact CZ3-CB 3.7Å; W158-I214 HydrophobicContact CZ3-CG1 4.33Å; W158-S240 VanDerWaalsContact CZ2-CB 3.41Å; W158-V242 HydrophobicContact CH2-CB 4.46Å; W158-V242 HydrophobicContact CH2-CG2 3.53Å; W158-V242 HydrophobicContact CZ2-CG2 4.23Å; W158-V242 HydrophobicContact CZ3-CG2 4.14Å
159D81.2Confident89.2Confident110 Ų11046 Ų4659%0.58821%0.214SC*.SBendtrans-85.3-28175.9-60.8-43.5000113.5Y157 F181 Q183Y157-D159 PolarHBondContact O-N 3.35Å; D159-F181 WeakPolarHBondContact O-CZ 3.27Å; D159-Q183 WeakPolarHBondContact O-CB 3.27Å; D159-Q183 WeakPolarHBondContact O-CG 3.47Å
160T85.1Confident88.8Confident57 Ų5744.4 Ų44.435%0.3521%0.208SC..  trans-131.9135.4179.456.50000110.6
161V90.5Very high88.6Confident0 Ų046.1 Ų46.10%022%0.217CC..  trans-137.6136.9-175.5-177.30000110.6V152 W158 F181 L185 I186 I214V152-V161 HydrophobicContact CG1-CG2 4Å; W158-V161 HydrophobicContact CB-CG2 4.02Å; W158-V161 HydrophobicContact CE3-CG1 4.48Å; W158-V161 HydrophobicContact CE3-CG2 3.79Å; V161-F181 HydrophobicContact CB-CE1 4.36Å; V161-F181 HydrophobicContact CB-CZ 4.34Å; V161-F181 HydrophobicContact CG2-CE1 4.09Å; V161-F181 HydrophobicContact CG2-CE2 4.06Å; V161-F181 HydrophobicContact CG2-CZ 3.57Å; V161-L185 HydrophobicContact CB-CD1 4.12Å; V161-L185 HydrophobicContact CB-CG 4.28Å; V161-L185 HydrophobicContact CG1-CD1 4.19Å; V161-L185 HydrophobicContact CG1-CG 4.49Å; V161-L185 WeakPolarHBondContact O-CG 3.27Å; V161-I186 PolarHBondContact O-N 3Å; V161-I214 HydrophobicContact CG1-CD1 3.62Å; V161-I214 HydrophobicContact CG1-CG1 3.87Å
162A93Very high88.4Confident0 Ų049.3 Ų49.30%023%0.233CC..EExtended strand (participates in β ladder)trans-115.4129.3168.100000110.1I186 F204 H210 R212 F213 I214A162-I186 CarbonylContact C-O 3.56Å; A162-I186 WeakPolarHBondContact CA-O 3.18Å; A162-I186 HydrophobicContact CB-CB 4.34Å; A162-F204 HydrophobicContact CB-CE1 3.67Å; A162-F204 HydrophobicContact CB-CZ 3.72Å; A162-H210 HydrophobicContact CB-CB 4.09Å; A162-R212 PolarHBondContact N-O 3.06Å; A162-F213 HydrophobicContact CB-CD1 3.72Å; A162-F213 HydrophobicContact CB-CE1 3.78Å; A162-F213 CarbonylContact O-C 3.59Å; A162-F213 VanDerWaalsContact O-CA 3.26Å; A162-F213 WeakPolarHBondContact O-CA 2.87Å; A162-I214 PolarHBondContact O-N 2.76Å
163V94Very high88.2Confident0 Ų049.9 Ų49.90%024%0.236CC..EExtended strand (participates in β ladder)trans-101.9125174.61760000109.4F174 L185 I186 L187 R188 I214V163-F174 HydrophobicContact CG1-CD2 4.06Å; V163-F174 HydrophobicContact CG1-CE2 3.87Å; V163-F174 HydrophobicContact CG1-CZ 4.46Å; V163-L185 HydrophobicContact CB-CD2 4.16Å; V163-L185 HydrophobicContact CG2-CD1 4.36Å; V163-L185 HydrophobicContact CG2-CD2 3.65Å; V163-L185 HydrophobicContact CG2-CG 4.46Å; V163-I186 PolarHBondContact N-O 3.42Å; V163-L187 HydrophobicContact CB-CD2 3.68Å; V163-L187 HydrophobicContact CG1-CD2 4.22Å; V163-L187 HydrophobicContact CG2-CD2 4.21Å; V163-R188 PolarHBondContact O-N 2.95Å; V163-I214 CarbonylContact C-O 3.55Å; V163-I214 WeakPolarHBondContact CA-O 3.41Å; V163-I214 HydrophobicContact CG2-CB 3.9Å; V163-I214 HydrophobicContact CG2-CD1 4.08Å; V163-I214 HydrophobicContact CG2-CG1 4.48Å; V163-I214 HydrophobicContact CG2-CG2 4.34Å
164I94.6Very high88.2Confident1 Ų147.2 Ų47.21%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-106.1113.8172.5-61.1175.3000106.9R188 W190 I201 F204 F213 I214 D216 F225I164-R188 VanDerWaalsContact CA-O 3.31Å; I164-R188 WeakPolarHBondContact CA-O 3.28Å; I164-W190 HydrophobicContact CG2-CB 3.81Å; I164-W190 HydrophobicContact CG2-CD2 4.48Å; I164-W190 HydrophobicContact CG2-CE3 4Å; I164-W190 HydrophobicContact CG2-CG 4.45Å; I164-I201 HydrophobicContact CD1-CD1 4.49Å; I164-F204 HydrophobicContact CD1-CD2 4.41Å; I164-F204 HydrophobicContact CD1-CE2 3.99Å; I164-F204 HydrophobicContact CG1-CE2 4.01Å; I164-F213 HydrophobicContact CD1-CD1 3.94Å; I164-F213 HydrophobicContact CD1-CE1 4.5Å; I164-F213 HydrophobicContact CG1-CD1 4.45Å; I164-I214 PolarHBondContact N-O 3.42Å; I164-D216 PolarHBondContact O-N 3.41Å; I164-F225 HydrophobicContact CD1-CE2 3.85Å; I164-F225 HydrophobicContact CD1-CZ 4.24Å
165Y94Very high88.3Confident34 Ų3443.7 Ų43.713%0.13321%0.21CC..EExtended strand (participates in β ladder)trans-125.5145-173.171.1-82.7000111.9R167 E168 L171 L187 R188 K189 W190Y165-R167 WeakPolarHBondContact CD2-O 3.36Å; Y165-E168 HydrophobicContact CE2-CG 4.19Å; Y165-L171 HydrophobicContact CD1-CD2 3.75Å; Y165-L171 HydrophobicContact CD2-CD1 4.22Å; Y165-L171 HydrophobicContact CD2-CD2 3.99Å; Y165-L171 HydrophobicContact CD2-CG 3.99Å; Y165-L171 HydrophobicContact CE1-CD1 4.32Å; Y165-L171 HydrophobicContact CE1-CD2 4.17Å; Y165-L171 HydrophobicContact CE2-CD1 3.87Å; Y165-L171 HydrophobicContact CE2-CD2 4.38Å; Y165-L171 HydrophobicContact CE2-CG 4.16Å; Y165-L171 HydrophobicContact CG-CD2 3.65Å; Y165-L171 HydrophobicContact CG-CG 4.18Å; Y165-L187 HydrophobicContact CE1-CB 4.21Å; Y165-R188 VanDerWaalsContact CD1-O 3.27Å; Y165-R188 WeakPolarHBondContact CD1-O 3.48Å; Y165-R188 PolarHBondContact N-O 3.09Å; Y165-K189 HydrophobicContact CE1-CB 4.22Å; Y165-K189 HydrophobicContact CE2-CB 4.23Å; Y165-K189 HydrophobicContact CE2-CD 4.42Å; Y165-K189 HydrophobicContact CE2-CG 4.09Å; Y165-K189 CarbonylContact O-C 3.56Å; Y165-K189 VanDerWaalsContact O-CA 3.31Å; Y165-K189 WeakPolarHBondContact O-CA 3.19Å; Y165-W190 PolarHBondContact O-N 3Å
166S90.7Very high88.4Confident24 Ų2446.9 Ų46.917%0.16822%0.218CC..SBendtrans-92.6-40.6178.4550000113.3D216S166-D216 PolarHBondContact N-O 2.89Å; S166-D216 PolarHBondContact OG-O 2.95Å
167R87.4Confident88.6Confident111 Ų11144.6 Ų44.642%0.41921%0.208SC..  trans-113.8137.7-173.6-72.7-176.9-73.6-172-5111.4Y165 E169 S170Y165-R167 WeakPolarHBondContact CD2-O 3.36Å; R167-E169 HydrophobicContact CB-CG 4.3Å; R167-E169 WeakPolarHBondContact CD-OE1 3.31Å; R167-E169 PolarHBondContact O-N 3.26Å; R167-S170 PolarHBondContact O-N 3.44Å; R167-S170 PolarHBondContact O-OG 2.95Å
168E88.3Confident88.7Confident116 Ų11640.7 Ų40.754%0.54220%0.197SC..SBendtrans-69.7-37.6-176-74.1162.3-157.700111.5Y165 S170 L171 K189Y165-E168 HydrophobicContact CE2-CG 4.19Å; E168-S170 PolarHBondContact O-N 3.5Å; E168-L171 WeakPolarHBondContact O-CB 3.38Å; E168-L171 WeakPolarHBondContact O-CG 3.05Å; E168-L171 PolarHBondContact O-N 3.16Å; E168-K189 IonicContact OE1-NZ 3.94Å; E168-K189 PolarHBondContact OE1-NZ 3.45Å
169E85Confident88.7Confident75 Ų7549.3 Ų49.335%0.3523%0.229SC..G310 helixtrans-64.6-24.5176.362.2-88.7-158.500113.6Y126 R167 L171 L172Y126-E169 HydrophobicContact CE1-CB 4.33Å; Y126-E169 HydrophobicContact CE1-CG 4.39Å; Y126-E169 HydrophobicContact CE2-CB 3.98Å; R167-E169 HydrophobicContact CB-CG 4.3Å; R167-E169 WeakPolarHBondContact CD-OE1 3.31Å; R167-E169 PolarHBondContact O-N 3.26Å; E169-L171 PolarHBondContact O-N 3.43Å; E169-L172 PolarHBondContact O-N 3.17Å
170S85.7Confident88.9Confident0 Ų046.4 Ų46.40%022%0.215CC..G310 helixtrans-73.3-15.6179.271.10000112.8R167 E168 L172 K173 D216R167-S170 PolarHBondContact O-N 3.44Å; R167-S170 PolarHBondContact O-OG 2.95Å; E168-S170 PolarHBondContact O-N 3.5Å; S170-L172 PolarHBondContact O-N 3.31Å; S170-K173 VanDerWaalsContact O-CB 3.23Å; S170-K173 WeakPolarHBondContact O-CB 3.46Å; S170-K173 VanDerWaalsContact O-CG 3.26Å; S170-K173 WeakPolarHBondContact O-CG 3.42Å; S170-K173 PolarHBondContact O-N 3.23Å; S170-D216 WeakPolarHBondContact CB-OD2 3.43Å; S170-D216 PolarHBondContact OG-OD2 2.86Å
171L89Confident88.8Confident38 Ų3844.7 Ų44.720%0.19920%0.203CC..G310 helixtrans-61.1-23.7174.5-67.4176.3000112.9Y165 E168 E169 K173 F174 L187Y165-L171 HydrophobicContact CD1-CD2 3.75Å; Y165-L171 HydrophobicContact CD2-CD1 4.22Å; Y165-L171 HydrophobicContact CD2-CD2 3.99Å; Y165-L171 HydrophobicContact CD2-CG 3.99Å; Y165-L171 HydrophobicContact CE1-CD1 4.32Å; Y165-L171 HydrophobicContact CE1-CD2 4.17Å; Y165-L171 HydrophobicContact CE2-CD1 3.87Å; Y165-L171 HydrophobicContact CE2-CD2 4.38Å; Y165-L171 HydrophobicContact CE2-CG 4.16Å; Y165-L171 HydrophobicContact CG-CD2 3.65Å; Y165-L171 HydrophobicContact CG-CG 4.18Å; E168-L171 WeakPolarHBondContact O-CB 3.38Å; E168-L171 WeakPolarHBondContact O-CG 3.05Å; E168-L171 PolarHBondContact O-N 3.16Å; E169-L171 PolarHBondContact O-N 3.43Å; L171-K173 PolarHBondContact O-N 3.46Å; L171-F174 HydrophobicContact CD2-CD2 3.98Å; L171-F174 HydrophobicContact CD2-CE2 4.32Å; L171-F174 WeakPolarHBondContact O-CB 3.37Å; L171-F174 PolarHBondContact O-N 2.98Å; L171-L187 HydrophobicContact CD2-CD2 4.38Å
172L88.2Confident88.3Confident68 Ų6851.7 Ų51.736%0.35624%0.241SC..G310 helixtrans-60.6-30.2175.1-67.6170.1000112.2Y126 Y141 E169 S170 F174 D175Y126-L172 HydrophobicContact CD2-CD1 3.44Å; Y126-L172 VanDerWaalsContact CD2-CD1 3.44Å; Y126-L172 HydrophobicContact CE2-CD1 4.29Å; Y126-L172 HydrophobicContact CG-CD1 3.85Å; Y141-L172 HydrophobicContact CD2-CB 4.32Å; Y141-L172 VanDerWaalsContact CD2-O 3.25Å; Y141-L172 WeakPolarHBondContact CD2-O 3.45Å; Y141-L172 HydrophobicContact CE2-CB 4.07Å; Y141-L172 WeakPolarHBondContact CE2-O 3.5Å; E169-L172 PolarHBondContact O-N 3.17Å; S170-L172 PolarHBondContact O-N 3.31Å; L172-F174 PolarHBondContact O-N 3.49Å; L172-F174 VanDerWaalsContact O-N 3.15Å; L172-D175 WeakPolarHBondContact O-CB 3.17Å; L172-D175 PolarHBondContact O-N 3.49Å; L172-D175 VanDerWaalsContact O-N 3.14Å
173K87.7Confident87.7Confident12 Ų1256.6 Ų56.65%0.05226%0.264CS..G310 helixtrans-55.4-30.8171.8-63.6179.6-170.6176.80112.4W124 F144 G145 S170 L171 D216W124-K173 HydrophobicContact CE3-CD 4.47Å; W124-K173 HydrophobicContact CZ3-CD 4.33Å; F144-K173 HydrophobicContact CD1-CB 4.12Å; F144-K173 HydrophobicContact CD1-CD 4.01Å; F144-K173 HydrophobicContact CD1-CG 4.31Å; F144-K173 HydrophobicContact CE1-CB 4.41Å; F144-K173 HydrophobicContact CE1-CD 3.98Å; G145-K173 WeakPolarHBondContact CA-O 3.24Å; S170-K173 VanDerWaalsContact O-CB 3.23Å; S170-K173 WeakPolarHBondContact O-CB 3.46Å; S170-K173 VanDerWaalsContact O-CG 3.26Å; S170-K173 WeakPolarHBondContact O-CG 3.42Å; S170-K173 PolarHBondContact O-N 3.23Å; L171-K173 PolarHBondContact O-N 3.46Å; K173-D216 IonicContact NZ-OD1 2.81Å; K173-D216 PolarHBondContact NZ-OD1 3.43Å
174F89.1Confident86.9Confident0 Ų061.6 Ų61.60%030%0.296CS..G310 helixtrans-96.55.4-173.9-46.4-50.6000112.4F144 L148 V163 L171 L172 Y176 L177 L178 I214 D216 T244F144-F174 HydrophobicContact CE1-CE1 4.44Å; L148-F174 HydrophobicContact CD2-CD1 3.58Å; L148-F174 HydrophobicContact CD2-CE1 3.54Å; V163-F174 HydrophobicContact CG1-CD2 4.06Å; V163-F174 HydrophobicContact CG1-CE2 3.87Å; V163-F174 HydrophobicContact CG1-CZ 4.46Å; L171-F174 HydrophobicContact CD2-CD2 3.98Å; L171-F174 HydrophobicContact CD2-CE2 4.32Å; L171-F174 WeakPolarHBondContact O-CB 3.37Å; L171-F174 PolarHBondContact O-N 2.98Å; L172-F174 PolarHBondContact O-N 3.49Å; L172-F174 VanDerWaalsContact O-N 3.15Å; F174-Y176 VanDerWaalsContact C-N 3.26Å; F174-Y176 PolarHBondContact O-N 2.91Å; F174-L177 WeakPolarHBondContact O-CB 3.26Å; F174-L177 PolarHBondContact O-N 3.24Å; F174-L177 VanDerWaalsContact O-N 3.08Å; F174-L178 HydrophobicContact CB-CD1 4.13Å; F174-L178 HydrophobicContact CB-CG 4.16Å; F174-L178 WeakPolarHBondContact O-CB 3.11Å; F174-L178 VanDerWaalsContact O-CG 3.23Å; F174-L178 WeakPolarHBondContact O-CG 3.19Å; F174-L178 PolarHBondContact O-N 2.79Å; F174-I214 HydrophobicContact CE1-CG2 4.08Å; F174-I214 HydrophobicContact CZ-CG2 4.32Å; F174-D216 HydrophobicContact CE2-CB 4.16Å; F174-D216 HydrophobicContact CZ-CB 3.78Å; F174-T244 HydrophobicContact CE1-CG2 4.09Å; F174-T244 HydrophobicContact CZ-CG2 4.21Å
175D87.5Confident86.5Confident41 Ų4163.2 Ų63.222%0.21931%0.305CS..Hα-helixtrans-52.7-44.9-179.6179.668.2000112.1L172 L178 R179L172-D175 WeakPolarHBondContact O-CB 3.17Å; L172-D175 PolarHBondContact O-N 3.49Å; L172-D175 VanDerWaalsContact O-N 3.14Å; D175-L178 PolarHBondContact O-N 3.34Å; D175-R179 VanDerWaalsContact CG-NE 3.29Å; D175-R179 VanDerWaalsContact CG-NH2 3.33Å; D175-R179 WeakPolarHBondContact O-CB 3.35Å; D175-R179 VanDerWaalsContact O-CG 3.28Å; D175-R179 WeakPolarHBondContact O-CG 3.49Å; D175-R179 PolarHBondContact O-N 3.11Å; D175-R179 IonicContact OD1-CZ 3.99Å; D175-R179 IonicContact OD1-NE 2.94Å; D175-R179 PolarHBondContact OD1-NE 3.24Å; D175-R179 IonicContact OD1-NH2 2.68Å; D175-R179 PolarHBondContact OD1-NH2 3.08Å; D175-R179 IonicContact OD2-CZ 3.54Å; D175-R179 IonicContact OD2-NE 2.57Å; D175-R179 PolarHBondContact OD2-NE 2.94Å; D175-R179 VanDerWaalsContact OD2-NE 3.15Å; D175-R179 IonicContact OD2-NH1 3.27Å; D175-R179 IonicContact OD2-NH2 2.9Å; D175-R179 PolarHBondContact OD2-NH2 2.96Å; D175-R179 VanDerWaalsContact OD2-NH2 3.1Å
176Y88.9Confident86.2Confident87 Ų8763.8 Ų63.834%0.34131%0.309SS..Hα-helixtrans-64.6-43.8178.7-166.5-93.6000112.4Q146 Y149 F174 T180Q146-Y176 HydrophobicContact CG-CE1 4.26Å; Y149-Y176 HydrophobicContact CD1-CD1 4.04Å; Y149-Y176 AromaticContact CD1-CE1 3.49Å; Y149-Y176 HydrophobicContact CD1-CE1 3.49Å; Y149-Y176 VanDerWaalsContact CD1-CE1 3.49Å; Y149-Y176 HydrophobicContact CD2-CD1 4.28Å; Y149-Y176 HydrophobicContact CD2-CE1 4.31Å; Y149-Y176 AromaticContact CE1-CE1 3.97Å; Y149-Y176 HydrophobicContact CE1-CE1 3.97Å; Y149-Y176 AromaticContact CG-CD1 3.72Å; Y149-Y176 HydrophobicContact CG-CD1 3.72Å; Y149-Y176 AromaticContact CG-CE1 3.66Å; Y149-Y176 HydrophobicContact CG-CE1 3.66Å; F174-Y176 VanDerWaalsContact C-N 3.26Å; F174-Y176 PolarHBondContact O-N 2.91Å; Y176-T180 VanDerWaalsContact O-CB 3.31Å; Y176-T180 WeakPolarHBondContact O-CB 3.29Å; Y176-T180 PolarHBondContact O-N 2.96Å; Y176-T180 PolarHBondContact O-OG1 3.45Å
177L88.6Confident86.3Confident0 Ų065.4 Ų65.40%032%0.316CS..Hα-helixtrans-62.5-50.3175.5179.167.6000110.7Y149 V152 F174 R179 T180 F181 L185 I214Y149-L177 HydrophobicContact CD2-CD1 3.96Å; V152-L177 HydrophobicContact CG1-CD1 4.45Å; F174-L177 WeakPolarHBondContact O-CB 3.26Å; F174-L177 PolarHBondContact O-N 3.24Å; F174-L177 VanDerWaalsContact O-N 3.08Å; L177-R179 VanDerWaalsContact C-N 3.27Å; L177-R179 PolarHBondContact O-N 3.47Å; L177-T180 PolarHBondContact O-N 2.82Å; L177-F181 HydrophobicContact CD1-CB 4.31Å; L177-F181 HydrophobicContact CD1-CD2 4Å; L177-F181 HydrophobicContact CD1-CG 4.36Å; L177-F181 WeakPolarHBondContact O-CB 3.39Å; L177-F181 PolarHBondContact O-N 2.88Å; L177-L185 HydrophobicContact CD2-CD1 3.92Å; L177-L185 HydrophobicContact CG-CD1 4.08Å; L177-I214 HydrophobicContact CD2-CD1 3.4Å; L177-I214 VanDerWaalsContact CD2-CD1 3.4Å
178L86.7Confident86.5Confident72 Ų7263.9 Ų63.938%0.37731%0.31SS..Hα-helixtrans-62.6-30-176.9-69170.9000113.4F174 D175 L185 L187F174-L178 HydrophobicContact CB-CD1 4.13Å; F174-L178 HydrophobicContact CB-CG 4.16Å; F174-L178 WeakPolarHBondContact O-CB 3.11Å; F174-L178 VanDerWaalsContact O-CG 3.23Å; F174-L178 WeakPolarHBondContact O-CG 3.19Å; F174-L178 PolarHBondContact O-N 2.79Å; D175-L178 PolarHBondContact O-N 3.34Å; L178-L185 HydrophobicContact CD2-CD1 4.26Å; L178-L185 HydrophobicContact CD2-CD2 3.97Å; L178-L187 HydrophobicContact CD2-CD2 4.4Å
179R86.7Confident86.6Confident190 Ų19061.8 Ų61.872%0.71730%0.299SS*.Hα-helixtrans-83.5-29.4177.9-71.5179-169-166.89.8113.9D175 L177D175-R179 VanDerWaalsContact CG-NE 3.29Å; D175-R179 VanDerWaalsContact CG-NH2 3.33Å; D175-R179 WeakPolarHBondContact O-CB 3.35Å; D175-R179 VanDerWaalsContact O-CG 3.28Å; D175-R179 WeakPolarHBondContact O-CG 3.49Å; D175-R179 PolarHBondContact O-N 3.11Å; D175-R179 IonicContact OD1-CZ 3.99Å; D175-R179 IonicContact OD1-NE 2.94Å; D175-R179 PolarHBondContact OD1-NE 3.24Å; D175-R179 IonicContact OD1-NH2 2.68Å; D175-R179 PolarHBondContact OD1-NH2 3.08Å; D175-R179 IonicContact OD2-CZ 3.54Å; D175-R179 IonicContact OD2-NE 2.57Å; D175-R179 PolarHBondContact OD2-NE 2.94Å; D175-R179 VanDerWaalsContact OD2-NE 3.15Å; D175-R179 IonicContact OD2-NH1 3.27Å; D175-R179 IonicContact OD2-NH2 2.9Å; D175-R179 PolarHBondContact OD2-NH2 2.96Å; D175-R179 VanDerWaalsContact OD2-NH2 3.1Å; L177-R179 VanDerWaalsContact C-N 3.27Å; L177-R179 PolarHBondContact O-N 3.47Å
180T86.3Confident86.9Confident48 Ų4858.5 Ų58.529%0.29428%0.284SS..Hα-helixtrans-105.5-18.5-167.7-41.50000112.4Y149 Y176 L177 D182Y149-T180 HydrophobicContact CE1-CG2 4.48Å; Y149-T180 HydrophobicContact CE2-CG2 3.74Å; Y149-T180 WeakPolarHBondContact OH-CG2 3.44Å; Y176-T180 VanDerWaalsContact O-CB 3.31Å; Y176-T180 WeakPolarHBondContact O-CB 3.29Å; Y176-T180 PolarHBondContact O-N 2.96Å; Y176-T180 PolarHBondContact O-OG1 3.45Å; L177-T180 PolarHBondContact O-N 2.82Å; T180-D182 PolarHBondContact O-N 3.49Å
181F83.2Confident87Confident22 Ų2260.5 Ų60.510%0.09629%0.294CS..  trans-75.8118.9-179.1-159.3-107.6000110.8V152 W158 D159 V161 L177 Q183 L185V152-F181 HydrophobicContact CG1-CE2 4.36Å; W158-F181 VanDerWaalsContact O-CE2 3.23Å; W158-F181 WeakPolarHBondContact O-CE2 3.13Å; W158-F181 WeakPolarHBondContact O-CZ 3.3Å; D159-F181 WeakPolarHBondContact O-CZ 3.27Å; V161-F181 HydrophobicContact CB-CE1 4.36Å; V161-F181 HydrophobicContact CB-CZ 4.34Å; V161-F181 HydrophobicContact CG2-CE1 4.09Å; V161-F181 HydrophobicContact CG2-CE2 4.06Å; V161-F181 HydrophobicContact CG2-CZ 3.57Å; L177-F181 HydrophobicContact CD1-CB 4.31Å; L177-F181 HydrophobicContact CD1-CD2 4Å; L177-F181 HydrophobicContact CD1-CG 4.36Å; L177-F181 WeakPolarHBondContact O-CB 3.39Å; L177-F181 PolarHBondContact O-N 2.88Å; F181-Q183 VanDerWaalsContact C-N 3.27Å; F181-Q183 HydrophobicContact CD1-CB 4.21Å; F181-Q183 VanDerWaalsContact CD1-O 3.26Å; F181-Q183 WeakPolarHBondContact CD1-O 3.4Å; F181-Q183 HydrophobicContact CE1-CB 3.8Å; F181-Q183 PolarHBondContact O-N 2.85Å; F181-L185 HydrophobicContact CD1-CD1 4.39Å
182D79.4Confident86.5Confident147 Ų14761.3 Ų61.379%0.78630%0.301SS*.SBendtrans-69.5-22.3-172.4-69.3-41.1000113.8T180T180-D182 PolarHBondContact O-N 3.49Å
183Q80.1Confident86Confident103 Ų10362.5 Ų62.548%0.48132%0.315SS..SBendtrans-101.5153.6-175.2-62.2-57.6-40.700112.1D159 F181 L185D159-Q183 WeakPolarHBondContact O-CB 3.27Å; D159-Q183 WeakPolarHBondContact O-CG 3.47Å; F181-Q183 VanDerWaalsContact C-N 3.27Å; F181-Q183 HydrophobicContact CD1-CB 4.21Å; F181-Q183 VanDerWaalsContact CD1-O 3.26Å; F181-Q183 WeakPolarHBondContact CD1-O 3.4Å; F181-Q183 HydrophobicContact CE1-CB 3.8Å; F181-Q183 PolarHBondContact O-N 2.85Å; Q183-L185 PolarHBondContact O-N 2.73Å
184P78.5Confident85.4Confident105 Ų10567.7 Ų67.768%0.68234%0.343SS*.PPolyproline II helixtrans-64.4126.4178.325.2-33000111.3
185L85.1Confident84.9Confident35 Ų3571.7 Ų71.718%0.18337%0.365CS..PPolyproline II helixtrans-101.8131.3-178.9-168.2153.1000110.4V161 V163 L177 L178 F181 Q183 L187V161-L185 HydrophobicContact CB-CD1 4.12Å; V161-L185 HydrophobicContact CB-CG 4.28Å; V161-L185 HydrophobicContact CG1-CD1 4.19Å; V161-L185 HydrophobicContact CG1-CG 4.49Å; V161-L185 WeakPolarHBondContact O-CG 3.27Å; V163-L185 HydrophobicContact CB-CD2 4.16Å; V163-L185 HydrophobicContact CG2-CD1 4.36Å; V163-L185 HydrophobicContact CG2-CD2 3.65Å; V163-L185 HydrophobicContact CG2-CG 4.46Å; L177-L185 HydrophobicContact CD2-CD1 3.92Å; L177-L185 HydrophobicContact CG-CD1 4.08Å; L178-L185 HydrophobicContact CD2-CD1 4.26Å; L178-L185 HydrophobicContact CD2-CD2 3.97Å; F181-L185 HydrophobicContact CD1-CD1 4.39Å; Q183-L185 PolarHBondContact O-N 2.73Å; L185-L187 HydrophobicContact CD2-CD2 3.45Å; L185-L187 VanDerWaalsContact CD2-CD2 3.45Å; L185-L187 HydrophobicContact CD2-CG 4.14Å
186I89.1Confident84.7Confident45 Ų4572.3 Ų72.323%0.23137%0.368CS..EExtended strand (participates in β ladder)trans-91.3123.1179.7-63-170.6000110.9V161 A162 V163 R188 F204 H210V161-I186 PolarHBondContact O-N 3Å; A162-I186 CarbonylContact C-O 3.56Å; A162-I186 WeakPolarHBondContact CA-O 3.18Å; A162-I186 HydrophobicContact CB-CB 4.34Å; V163-I186 PolarHBondContact N-O 3.42Å; I186-R188 HydrophobicContact CG2-CG 4.13Å; I186-F204 HydrophobicContact CG2-CE1 3.94Å; I186-F204 HydrophobicContact CG2-CZ 4.05Å; I186-H210 WeakPolarHBondContact CD1-CE1 3.4Å
187L90.9Very high84.6Confident59 Ų5968.3 Ų68.331%0.30935%0.352SS..EExtended strand (participates in β ladder)trans-100.3130173.1-58.7179.1000111V163 Y165 L171 L178 L185V163-L187 HydrophobicContact CB-CD2 3.68Å; V163-L187 HydrophobicContact CG1-CD2 4.22Å; V163-L187 HydrophobicContact CG2-CD2 4.21Å; Y165-L187 HydrophobicContact CE1-CB 4.21Å; L171-L187 HydrophobicContact CD2-CD2 4.38Å; L178-L187 HydrophobicContact CD2-CD2 4.4Å; L185-L187 HydrophobicContact CD2-CD2 3.45Å; L185-L187 VanDerWaalsContact CD2-CD2 3.45Å; L185-L187 HydrophobicContact CD2-CG 4.14Å
188R92.1Very high84.6Confident78 Ų7872.7 Ų72.729%0.29437%0.371SS..EExtended strand (participates in β ladder)trans-135.2132.2172.5-69.4-65.1179.5-95-1.1111.5V163 I164 Y165 I186 V200 F204V163-R188 PolarHBondContact O-N 2.95Å; I164-R188 VanDerWaalsContact CA-O 3.31Å; I164-R188 WeakPolarHBondContact CA-O 3.28Å; Y165-R188 VanDerWaalsContact CD1-O 3.27Å; Y165-R188 WeakPolarHBondContact CD1-O 3.48Å; Y165-R188 PolarHBondContact N-O 3.09Å; I186-R188 HydrophobicContact CG2-CG 4.13Å; R188-V200 HydrophobicContact CB-CG1 3.7Å; R188-V200 HydrophobicContact CB-CG2 4.13Å; R188-V200 HydrophobicContact CG-CG1 4.12Å; R188-F204 HydrophobicContact CB-CE2 4.2Å; R188-F204 HydrophobicContact CB-CZ 4.23Å; R188-F204 HydrophobicContact CG-CE2 3.88Å; R188-F204 HydrophobicContact CG-CZ 3.6Å
189K91.9Very high84.7Confident73 Ų7376.1 Ų76.132%0.31738%0.38SS..EExtended strand (participates in β ladder)trans-80.1127.4176.9-168.2172.4-176.2174.60110.5Y165 E168 N196Y165-K189 HydrophobicContact CE1-CB 4.22Å; Y165-K189 HydrophobicContact CE2-CB 4.23Å; Y165-K189 HydrophobicContact CE2-CD 4.42Å; Y165-K189 HydrophobicContact CE2-CG 4.09Å; Y165-K189 CarbonylContact O-C 3.56Å; Y165-K189 VanDerWaalsContact O-CA 3.31Å; Y165-K189 WeakPolarHBondContact O-CA 3.19Å; E168-K189 IonicContact OE1-NZ 3.94Å; E168-K189 PolarHBondContact OE1-NZ 3.45Å; K189-N196 PolarHBondContact O-ND2 3.28Å
190W90.5Very high84.8Confident6 Ų667.2 Ų67.22%0.02335%0.347CS..  trans-85.1109168.9-176.3-96.5000109.1I164 Y165 Q197 I201 I217 E221 F225 L228I164-W190 HydrophobicContact CG2-CB 3.81Å; I164-W190 HydrophobicContact CG2-CD2 4.48Å; I164-W190 HydrophobicContact CG2-CE3 4Å; I164-W190 HydrophobicContact CG2-CG 4.45Å; Y165-W190 PolarHBondContact O-N 3Å; W190-Q197 HydrophobicContact CD2-CB 3.91Å; W190-Q197 HydrophobicContact CE3-CB 3.68Å; W190-Q197 HydrophobicContact CH2-CB 3.58Å; W190-Q197 HydrophobicContact CH2-CG 3.98Å; W190-Q197 HydrophobicContact CZ2-CB 3.79Å; W190-Q197 HydrophobicContact CZ2-CG 4.06Å; W190-Q197 HydrophobicContact CZ3-CB 3.53Å; W190-Q197 HydrophobicContact CZ3-CG 4.4Å; W190-I201 HydrophobicContact CZ3-CD1 4.28Å; W190-I201 HydrophobicContact CZ3-CG1 4.1Å; W190-I217 HydrophobicContact CB-CG2 3.91Å; W190-I217 HydrophobicContact CD2-CG2 4.26Å; W190-I217 HydrophobicContact CG-CG2 3.69Å; W190-E221 VanDerWaalsContact CD1-OE2 3.26Å; W190-E221 PolarHBondContact NE1-OE2 3.39Å; W190-F225 HydrophobicContact CE3-CD2 4.03Å; W190-F225 HydrophobicContact CE3-CE2 4.48Å; W190-F225 HydrophobicContact CH2-CB 4.05Å; W190-F225 AromaticContact CH2-CD2 3.69Å; W190-F225 HydrophobicContact CH2-CD2 3.69Å; W190-F225 HydrophobicContact CH2-CG 4.33Å; W190-F225 HydrophobicContact CZ2-CB 4.18Å; W190-F225 HydrophobicContact CZ2-CD2 4.32Å; W190-F225 AromaticContact CZ3-CD2 3.52Å; W190-F225 HydrophobicContact CZ3-CD2 3.52Å; W190-F225 HydrophobicContact CZ3-CE2 4.09Å; W190-L228 HydrophobicContact CH2-CD2 3.89Å; W190-L228 HydrophobicContact CZ3-CD2 4.27Å
191D87.2Confident85.1Confident41 Ų4165 Ų6522%0.21933%0.333CS..  trans-133.8108.8179.6176.813000109.8S193 N194 N196 Q197D191-S193 VanDerWaalsContact C-N 3.33Å; D191-S193 VanDerWaalsContact CG-OG 3.31Å; D191-S193 WeakPolarHBondContact OD1-CB 3.41Å; D191-S193 PolarHBondContact OD1-N 3Å; D191-S193 PolarHBondContact OD1-OG 2.99Å; D191-S193 PolarHBondContact OD2-OG 3Å; D191-N194 PolarHBondContact OD2-ND2 3.25Å; D191-N196 HydrophobicContact CB-CB 4.31Å; D191-N196 PolarHBondContact O-N 3.44Å; D191-Q197 PolarHBondContact O-N 3.15Å; D191-Q197 PolarHBondContact O-OE1 3.35Å
192V78.8Confident85.3Confident55 Ų5568.8 Ų68.833%0.33335%0.35SS..THydrogen-bonded Turntrans-73.6-25.4-179-177.40000112N194V192-N194 VanDerWaalsContact C-N 3.3Å; V192-N194 PolarHBondContact O-N 3.09Å
193S78Confident85.7Confident93 Ų9363.8 Ų63.865%0.6532%0.322SS*.THydrogen-bonded Turntrans-68.4-28.4-171.168.40000113.6D191D191-S193 VanDerWaalsContact C-N 3.33Å; D191-S193 VanDerWaalsContact CG-OG 3.31Å; D191-S193 WeakPolarHBondContact OD1-CB 3.41Å; D191-S193 PolarHBondContact OD1-N 3Å; D191-S193 PolarHBondContact OD1-OG 2.99Å; D191-S193 PolarHBondContact OD2-OG 3Å
194N74.7Confident86.2Confident121 Ų12159.1 Ų59.165%0.64730%0.299SS*.THydrogen-bonded Turntrans-114.416.9-173.6-67-45.2000113.6D191 V192 N196D191-N194 PolarHBondContact OD2-ND2 3.25Å; V192-N194 VanDerWaalsContact C-N 3.3Å; V192-N194 PolarHBondContact O-N 3.09Å; N194-N196 PolarHBondContact O-N 3.07Å
195D79Confident86.5Confident85 Ų8556.5 Ų56.546%0.45528%0.277SS..THydrogen-bonded Turntrans56.413.4-172.3-97.1-15.7000113.8Q197 K198D195-Q197 PolarHBondContact O-N 3.47Å; D195-K198 HydrophobicContact CB-CD 4.42Å; D195-K198 WeakPolarHBondContact O-CB 3.47Å; D195-K198 PolarHBondContact O-N 3.3Å; D195-K198 VanDerWaalsContact O-N 3.08Å; D195-K198 WeakPolarHBondContact OD1-CE 3.37Å; D195-K198 IonicContact OD1-NZ 2.74Å; D195-K198 PolarHBondContact OD1-NZ 3.14Å; D195-K198 IonicContact OD2-NZ 3.26Å; D195-K198 PolarHBondContact OD2-NZ 3.03Å
196N83.6Confident86.4Confident53 Ų5360.6 Ų60.628%0.28330%0.298SS..Hα-helixtrans-64.1-28.4-177.4-175.238.1000111.3K189 D191 N194 K198 Y199 V200K189-N196 PolarHBondContact O-ND2 3.28Å; D191-N196 HydrophobicContact CB-CB 4.31Å; D191-N196 PolarHBondContact O-N 3.44Å; N194-N196 PolarHBondContact O-N 3.07Å; N196-K198 PolarHBondContact O-N 3Å; N196-Y199 WeakPolarHBondContact O-CB 3.35Å; N196-Y199 PolarHBondContact O-N 2.94Å; N196-V200 WeakPolarHBondContact O-CG2 3.38Å; N196-V200 PolarHBondContact O-N 3.18Å
197Q86.5Confident86Confident4 Ų461.5 Ų61.52%0.01931%0.306CS..Hα-helixtrans-55.8-37.9173.874.8-79.824.100112.8W190 D191 D195 V200 I201 L228W190-Q197 HydrophobicContact CD2-CB 3.91Å; W190-Q197 HydrophobicContact CE3-CB 3.68Å; W190-Q197 HydrophobicContact CH2-CB 3.58Å; W190-Q197 HydrophobicContact CH2-CG 3.98Å; W190-Q197 HydrophobicContact CZ2-CB 3.79Å; W190-Q197 HydrophobicContact CZ2-CG 4.06Å; W190-Q197 HydrophobicContact CZ3-CB 3.53Å; W190-Q197 HydrophobicContact CZ3-CG 4.4Å; D191-Q197 PolarHBondContact O-N 3.15Å; D191-Q197 PolarHBondContact O-OE1 3.35Å; D195-Q197 PolarHBondContact O-N 3.47Å; Q197-V200 PolarHBondContact O-N 2.91Å; Q197-I201 WeakPolarHBondContact O-CG1 3.15Å; Q197-I201 PolarHBondContact O-N 3.46Å; Q197-I201 VanDerWaalsContact O-N 3.13Å; Q197-L228 HydrophobicContact CB-CD2 4.29Å; Q197-L228 HydrophobicContact CG-CD2 3.92Å
198K88.2Confident85.3Confident92 Ų9261.9 Ų61.940%0.431%0.306SS..Hα-helixtrans-67.4-39.7176.3-66.3171.3-179.1150.90111.3D195 N196 K202 L228D195-K198 HydrophobicContact CB-CD 4.42Å; D195-K198 WeakPolarHBondContact O-CB 3.47Å; D195-K198 PolarHBondContact O-N 3.3Å; D195-K198 VanDerWaalsContact O-N 3.08Å; D195-K198 WeakPolarHBondContact OD1-CE 3.37Å; D195-K198 IonicContact OD1-NZ 2.74Å; D195-K198 PolarHBondContact OD1-NZ 3.14Å; D195-K198 IonicContact OD2-NZ 3.26Å; D195-K198 PolarHBondContact OD2-NZ 3.03Å; N196-K198 PolarHBondContact O-N 3Å; K198-K202 WeakPolarHBondContact O-CB 3.03Å; K198-K202 PolarHBondContact O-N 3.45Å; K198-L228 HydrophobicContact CG-CD1 4.12Å; K198-L228 HydrophobicContact CG-CD2 4.4Å
199Y89.3Confident84.4Confident144 Ų14461.8 Ų61.857%0.56531%0.314SS*.Hα-helixtrans-64.7-44.8176.6176.6-95.3000111.4N196 K202 Q203N196-Y199 WeakPolarHBondContact O-CB 3.35Å; N196-Y199 PolarHBondContact O-N 2.94Å; Y199-K202 PolarHBondContact O-N 3.12Å; Y199-Q203 VanDerWaalsContact O-CB 3.28Å; Y199-Q203 WeakPolarHBondContact O-CB 3.23Å; Y199-Q203 PolarHBondContact O-N 2.87Å
200V89.4Confident84Confident2 Ų259.1 Ų59.11%0.01230%0.303CS..Hα-helixtrans-59.7-51.1179.21720000111.4R188 N196 Q197 Q203 F204R188-V200 HydrophobicContact CB-CG1 3.7Å; R188-V200 HydrophobicContact CB-CG2 4.13Å; R188-V200 HydrophobicContact CG-CG1 4.12Å; N196-V200 WeakPolarHBondContact O-CG2 3.38Å; N196-V200 PolarHBondContact O-N 3.18Å; Q197-V200 PolarHBondContact O-N 2.91Å; V200-Q203 WeakPolarHBondContact O-CB 3.43Å; V200-Q203 PolarHBondContact O-N 3.43Å; V200-F204 HydrophobicContact CG1-CD2 3.87Å; V200-F204 HydrophobicContact CG1-CE2 3.55Å; V200-F204 WeakPolarHBondContact O-CD2 3.42Å; V200-F204 PolarHBondContact O-N 2.87Å; V200-F204 VanDerWaalsContact O-N 3.1Å
201I91.1Very high83.8Confident1 Ų160.7 Ų60.71%0.00531%0.31CS..Hα-helixtrans-63.7-44.1178.5-63.9-58.5000111.1I164 W190 Q197 Q203 F204 K205 F225 L228 Y232 M234I164-I201 HydrophobicContact CD1-CD1 4.49Å; W190-I201 HydrophobicContact CZ3-CD1 4.28Å; W190-I201 HydrophobicContact CZ3-CG1 4.1Å; Q197-I201 WeakPolarHBondContact O-CG1 3.15Å; Q197-I201 PolarHBondContact O-N 3.46Å; Q197-I201 VanDerWaalsContact O-N 3.13Å; I201-Q203 VanDerWaalsContact C-N 3.32Å; I201-Q203 PolarHBondContact O-N 2.95Å; I201-F204 PolarHBondContact O-N 2.97Å; I201-K205 PolarHBondContact O-N 2.74Å; I201-F225 HydrophobicContact CD1-CE2 3.99Å; I201-F225 HydrophobicContact CD1-CZ 4.49Å; I201-L228 HydrophobicContact CB-CD2 4.2Å; I201-L228 HydrophobicContact CB-CG 4.23Å; I201-L228 HydrophobicContact CG1-CD2 3.67Å; I201-L228 HydrophobicContact CG1-CG 3.98Å; I201-L228 HydrophobicContact CG2-CG 4.29Å; I201-Y232 HydrophobicContact CB-CD2 4.39Å; I201-Y232 HydrophobicContact CG2-CD2 3.48Å; I201-Y232 VanDerWaalsContact CG2-CD2 3.48Å; I201-Y232 HydrophobicContact CG2-CE2 4.23Å; I201-Y232 HydrophobicContact CG2-CG 3.78Å; I201-M234 HydrophobicContact CG2-SD 3.7Å
202K88.4Confident84.1Confident103 Ų10361.6 Ų61.645%0.44831%0.31SS..Hα-helixtrans-60.2-41.2176.2-178.3176.5177.6-177.70111.9K198 Y199 K205 I206 Y232K198-K202 WeakPolarHBondContact O-CB 3.03Å; K198-K202 PolarHBondContact O-N 3.45Å; Y199-K202 PolarHBondContact O-N 3.12Å; K202-K205 PolarHBondContact O-N 3.47Å; K202-I206 HydrophobicContact CD-CD1 4.29Å; K202-I206 HydrophobicContact CG-CD1 3.63Å; K202-I206 HydrophobicContact CG-CG1 4.3Å; K202-I206 WeakPolarHBondContact O-CB 3.34Å; K202-I206 VanDerWaalsContact O-CG1 3.24Å; K202-I206 WeakPolarHBondContact O-CG1 3.35Å; K202-I206 PolarHBondContact O-N 3.35Å; K202-Y232 HydrophobicContact CB-CE1 3.8Å; K202-Y232 HydrophobicContact CG-CE1 3.97Å
203Q88.3Confident84.9Confident42 Ų4259 Ų5920%0.19630%0.295CS..Hα-helixtrans-59.8-53.2177.4179.9178.218.400110.4Y199 V200 I201 K205 I206 T207Y199-Q203 VanDerWaalsContact O-CB 3.28Å; Y199-Q203 WeakPolarHBondContact O-CB 3.23Å; Y199-Q203 PolarHBondContact O-N 2.87Å; V200-Q203 WeakPolarHBondContact O-CB 3.43Å; V200-Q203 PolarHBondContact O-N 3.43Å; I201-Q203 VanDerWaalsContact C-N 3.32Å; I201-Q203 PolarHBondContact O-N 2.95Å; Q203-K205 VanDerWaalsContact C-N 3.27Å; Q203-K205 PolarHBondContact O-N 2.83Å; Q203-I206 PolarHBondContact O-N 2.73Å; Q203-T207 HydrophobicContact CG-CG2 4.39Å; Q203-T207 WeakPolarHBondContact O-CG2 3.33Å; Q203-T207 PolarHBondContact O-N 3.45Å; Q203-T207 PolarHBondContact O-OG1 3.2Å
204F90.1Very high85.7Confident4 Ų454.5 Ų54.52%0.01826%0.264CS..Hα-helixtrans-61-36.6178.9-72.2-57.2000112.6A162 I164 I186 R188 V200 I201 T207 Q208 H210 F213 M234A162-F204 HydrophobicContact CB-CE1 3.67Å; A162-F204 HydrophobicContact CB-CZ 3.72Å; I164-F204 HydrophobicContact CD1-CD2 4.41Å; I164-F204 HydrophobicContact CD1-CE2 3.99Å; I164-F204 HydrophobicContact CG1-CE2 4.01Å; I186-F204 HydrophobicContact CG2-CE1 3.94Å; I186-F204 HydrophobicContact CG2-CZ 4.05Å; R188-F204 HydrophobicContact CB-CE2 4.2Å; R188-F204 HydrophobicContact CB-CZ 4.23Å; R188-F204 HydrophobicContact CG-CE2 3.88Å; R188-F204 HydrophobicContact CG-CZ 3.6Å; V200-F204 HydrophobicContact CG1-CD2 3.87Å; V200-F204 HydrophobicContact CG1-CE2 3.55Å; V200-F204 WeakPolarHBondContact O-CD2 3.42Å; V200-F204 PolarHBondContact O-N 2.87Å; V200-F204 VanDerWaalsContact O-N 3.1Å; I201-F204 PolarHBondContact O-N 2.97Å; F204-T207 PolarHBondContact O-OG1 3.16Å; F204-Q208 PolarHBondContact O-N 3.28Å; F204-H210 HydrophobicContact CD1-CB 4.4Å; F204-F213 HydrophobicContact CB-CE1 4.24Å; F204-F213 HydrophobicContact CB-CZ 4.17Å; F204-F213 AromaticContact CD1-CE1 3.88Å; F204-F213 HydrophobicContact CD1-CE1 3.88Å; F204-F213 HydrophobicContact CD1-CZ 4.34Å; F204-F213 AromaticContact CD2-CE1 3.78Å; F204-F213 HydrophobicContact CD2-CE1 3.78Å; F204-F213 HydrophobicContact CE1-CE1 4.11Å; F204-F213 AromaticContact CE2-CE1 4Å; F204-F213 HydrophobicContact CE2-CE1 4Å; F204-F213 AromaticContact CG-CE1 3.72Å; F204-F213 HydrophobicContact CG-CE1 3.72Å; F204-F213 HydrophobicContact CG-CZ 4.13Å; F204-F213 HydrophobicContact CZ-CE1 4.16Å; F204-M234 HydrophobicContact CB-CE 3.91Å
205K85.4Confident86.7Confident50 Ų5048.8 Ų48.822%0.21723%0.233CC..Hα-helixtrans-68.4-38.1175.8-176.557176.5-168.80113.2I201 K202 Q203 Q208 Y232 N233 M234I201-K205 PolarHBondContact O-N 2.74Å; K202-K205 PolarHBondContact O-N 3.47Å; Q203-K205 VanDerWaalsContact C-N 3.27Å; Q203-K205 PolarHBondContact O-N 2.83Å; K205-Q208 WeakPolarHBondContact O-CG 3.44Å; K205-Y232 HydrophobicContact CB-CD1 4.34Å; K205-Y232 WeakPolarHBondContact CD-O 3.45Å; K205-Y232 WeakPolarHBondContact CE-O 3.38Å; K205-Y232 HydrophobicContact CG-CD1 4.38Å; K205-Y232 PolarHBondContact NZ-O 2.69Å; K205-N233 PolarHBondContact NZ-O 2.73Å; K205-M234 HydrophobicContact CB-CG 4.43Å; K205-M234 HydrophobicContact CB-SD 3.95Å; K205-M234 HydrophobicContact CD-CG 4.08Å
206I82.4Confident87.5Confident121 Ų12144.9 Ų44.962%0.62121%0.212SC*.Hα-helixtrans-73.1-43.3-179.8-71.9171.6000110.7K202 Q203K202-I206 HydrophobicContact CD-CD1 4.29Å; K202-I206 HydrophobicContact CG-CD1 3.63Å; K202-I206 HydrophobicContact CG-CG1 4.3Å; K202-I206 WeakPolarHBondContact O-CB 3.34Å; K202-I206 VanDerWaalsContact O-CG1 3.24Å; K202-I206 WeakPolarHBondContact O-CG1 3.35Å; K202-I206 PolarHBondContact O-N 3.35Å; Q203-I206 PolarHBondContact O-N 2.73Å
207T79.9Confident88Confident65 Ų6542.5 Ų42.540%0.39920%0.199SC..Hα-helixtrans-71.9-33.2-178.7610000112Q203 F204 T209Q203-T207 HydrophobicContact CG-CG2 4.39Å; Q203-T207 WeakPolarHBondContact O-CG2 3.33Å; Q203-T207 PolarHBondContact O-N 3.45Å; Q203-T207 PolarHBondContact O-OG1 3.2Å; F204-T207 PolarHBondContact O-OG1 3.16Å; T207-T209 WeakPolarHBondContact O-CG2 3.33Å; T207-T209 PolarHBondContact O-N 2.9Å; T207-T209 PolarHBondContact OG1-OG1 2.62Å
208Q75.7Confident88.1Confident66 Ų6642.9 Ų42.931%0.30820%0.202SC..  trans48.731.6-174.4-60.8-162.4-15.700113.5F204 K205 F211F204-Q208 PolarHBondContact O-N 3.28Å; K205-Q208 WeakPolarHBondContact O-CG 3.44Å; Q208-F211 HydrophobicContact CB-CE1 4.44Å; Q208-F211 HydrophobicContact CB-CZ 4.17Å; Q208-F211 WeakPolarHBondContact O-CE2 3.07Å; Q208-F211 WeakPolarHBondContact O-CZ 3.35Å
209T74.5Confident88.2Confident76 Ų7639.7 Ų39.747%0.46619%0.188SC..  trans-94.1-19.8-178.549.90000113.2T207T207-T209 WeakPolarHBondContact O-CG2 3.33Å; T207-T209 PolarHBondContact O-N 2.9Å; T207-T209 PolarHBondContact OG1-OG1 2.62Å
210H83Confident88Confident17 Ų1737.4 Ų37.48%0.07918%0.179CC..  trans-132.4134.4-174.9-6767.4000110.1A162 I186 F204 F213A162-H210 HydrophobicContact CB-CB 4.09Å; I186-H210 WeakPolarHBondContact CD1-CE1 3.4Å; F204-H210 HydrophobicContact CD1-CB 4.4Å; H210-F213 HydrophobicContact CB-CE1 4.42Å; H210-F213 HydrophobicContact CB-CZ 4.22Å; H210-F213 VanDerWaalsContact O-CZ 3.31Å; H210-F213 WeakPolarHBondContact O-CZ 3.47Å
211F87.1Confident88Confident40 Ų4039.2 Ų39.218%0.17519%0.187CC..  trans-128.2-7.1179.9-54-69.6000113.1Q208 Y238 Y239 S240 R512Q208-F211 HydrophobicContact CB-CE1 4.44Å; Q208-F211 HydrophobicContact CB-CZ 4.17Å; Q208-F211 WeakPolarHBondContact O-CE2 3.07Å; Q208-F211 WeakPolarHBondContact O-CZ 3.35Å; F211-Y238 WeakPolarHBondContact CB-O 3.45Å; F211-Y239 HydrophobicContact CD1-CD1 4.42Å; F211-Y239 AromaticContact CD1-CE1 3.83Å; F211-Y239 HydrophobicContact CD1-CE1 3.83Å; F211-Y239 HydrophobicContact CD1-CE2 4.46Å; F211-Y239 AromaticContact CD1-CZ 3.86Å; F211-Y239 VanDerWaalsContact O-CA 3.31Å; F211-Y239 WeakPolarHBondContact O-CA 3.18Å; F211-S240 PolarHBondContact O-N 3.43Å; F211-R512 VanDerWaalsContact CD1-CZ 3.48Å; F211-R512 VanDerWaalsContact CE2-NH2 3.29Å; F211-R512 VanDerWaalsContact CZ-CZ 3.5Å
212R92.2Very high88.1Confident59 Ų5939.2 Ų39.222%0.22319%0.187CC..EExtended strand (participates in β ladder)trans-114.9121.7179.2-50.9-59.9-174.9-151.4-4.2109W158 A162 Y238 S240W158-R212 HydrophobicContact CD2-CB 3.55Å; W158-R212 HydrophobicContact CD2-CG 3.78Å; W158-R212 HydrophobicContact CE3-CB 3.51Å; W158-R212 HydrophobicContact CE3-CG 4.28Å; W158-R212 HydrophobicContact CG-CB 4.14Å; W158-R212 HydrophobicContact CG-CG 3.93Å; W158-R212 HydrophobicContact CH2-CB 3.96Å; W158-R212 HydrophobicContact CZ2-CB 4.08Å; W158-R212 HydrophobicContact CZ2-CG 4.39Å; W158-R212 HydrophobicContact CZ3-CB 3.7Å; A162-R212 PolarHBondContact N-O 3.06Å; R212-Y238 PolarHBondContact NH1-O 3.3Å; R212-S240 PolarHBondContact NH1-OG 2.84Å
213F95.3Very high88.2Confident0 Ų039.4 Ų39.40%019%0.189CC..EExtended strand (participates in β ladder)trans-126.7132-169.4-64-86.8000111.1A162 I164 F204 H210 V215 M234 Y239 S240 Y241 V242A162-F213 HydrophobicContact CB-CD1 3.72Å; A162-F213 HydrophobicContact CB-CE1 3.78Å; A162-F213 CarbonylContact O-C 3.59Å; A162-F213 VanDerWaalsContact O-CA 3.26Å; A162-F213 WeakPolarHBondContact O-CA 2.87Å; I164-F213 HydrophobicContact CD1-CD1 3.94Å; I164-F213 HydrophobicContact CD1-CE1 4.5Å; I164-F213 HydrophobicContact CG1-CD1 4.45Å; F204-F213 HydrophobicContact CB-CE1 4.24Å; F204-F213 HydrophobicContact CB-CZ 4.17Å; F204-F213 AromaticContact CD1-CE1 3.88Å; F204-F213 HydrophobicContact CD1-CE1 3.88Å; F204-F213 HydrophobicContact CD1-CZ 4.34Å; F204-F213 AromaticContact CD2-CE1 3.78Å; F204-F213 HydrophobicContact CD2-CE1 3.78Å; F204-F213 HydrophobicContact CE1-CE1 4.11Å; F204-F213 AromaticContact CE2-CE1 4Å; F204-F213 HydrophobicContact CE2-CE1 4Å; F204-F213 AromaticContact CG-CE1 3.72Å; F204-F213 HydrophobicContact CG-CE1 3.72Å; F204-F213 HydrophobicContact CG-CZ 4.13Å; F204-F213 HydrophobicContact CZ-CE1 4.16Å; H210-F213 HydrophobicContact CB-CE1 4.42Å; H210-F213 HydrophobicContact CB-CZ 4.22Å; H210-F213 VanDerWaalsContact O-CZ 3.31Å; H210-F213 WeakPolarHBondContact O-CZ 3.47Å; F213-V215 HydrophobicContact CB-CG2 4.07Å; F213-M234 HydrophobicContact CE1-CE 4.45Å; F213-M234 HydrophobicContact CE2-CE 4.05Å; F213-M234 HydrophobicContact CZ-CE 3.76Å; F213-Y239 HydrophobicContact CD2-CD1 4.35Å; F213-Y239 AromaticContact CE2-CD1 3.71Å; F213-Y239 HydrophobicContact CE2-CD1 3.71Å; F213-Y239 HydrophobicContact CE2-CE1 4.01Å; F213-S240 PolarHBondContact N-O 3.27Å; F213-Y241 HydrophobicContact CB-CD1 3.62Å; F213-Y241 HydrophobicContact CB-CE1 3.9Å; F213-Y241 HydrophobicContact CD2-CD1 4.1Å; F213-Y241 AromaticContact CD2-CE1 3.6Å; F213-Y241 HydrophobicContact CD2-CE1 3.6Å; F213-Y241 HydrophobicContact CE2-CE1 4.39Å; F213-Y241 HydrophobicContact CG-CD1 4.11Å; F213-Y241 AromaticContact CG-CE1 3.86Å; F213-Y241 HydrophobicContact CG-CE1 3.86Å; F213-Y241 CarbonylContact O-C 3.51Å; F213-Y241 WeakPolarHBondContact O-CA 3.41Å; F213-V242 PolarHBondContact O-N 3.47Å
214I96.1Very high88.2Confident0 Ų041.6 Ų41.60%020%0.2CC..EExtended strand (participates in β ladder)trans-98.9123.1164-62.4170.4000106.6L148 V152 W158 V161 A162 V163 I164 F174 L177 V242 T244L148-I214 HydrophobicContact CD1-CD1 4.44Å; L148-I214 HydrophobicContact CD2-CD1 4.21Å; L148-I214 HydrophobicContact CD2-CG2 4.21Å; L148-I214 HydrophobicContact CG-CD1 4.42Å; V152-I214 HydrophobicContact CG2-CD1 4.21Å; W158-I214 HydrophobicContact CZ3-CG1 4.33Å; V161-I214 HydrophobicContact CG1-CD1 3.62Å; V161-I214 HydrophobicContact CG1-CG1 3.87Å; A162-I214 PolarHBondContact O-N 2.76Å; V163-I214 CarbonylContact C-O 3.55Å; V163-I214 WeakPolarHBondContact CA-O 3.41Å; V163-I214 HydrophobicContact CG2-CB 3.9Å; V163-I214 HydrophobicContact CG2-CD1 4.08Å; V163-I214 HydrophobicContact CG2-CG1 4.48Å; V163-I214 HydrophobicContact CG2-CG2 4.34Å; I164-I214 PolarHBondContact N-O 3.42Å; F174-I214 HydrophobicContact CE1-CG2 4.08Å; F174-I214 HydrophobicContact CZ-CG2 4.32Å; L177-I214 HydrophobicContact CD2-CD1 3.4Å; L177-I214 VanDerWaalsContact CD2-CD1 3.4Å; I214-V242 CarbonylContact C-O 3.59Å; I214-V242 WeakPolarHBondContact CA-O 3.43Å; I214-V242 HydrophobicContact CG1-CB 4.48Å; I214-T244 HydrophobicContact CG2-CG2 3.74Å
215V96.4Very high88.4Confident0 Ų041.4 Ų41.40%020%0.199CC..EExtended strand (participates in β ladder)trans-118.6101.4-171.5-169.40000109.6F213 I217 F225 Y241 V242 F243 T244F213-V215 HydrophobicContact CB-CG2 4.07Å; V215-I217 HydrophobicContact CG1-CB 4.43Å; V215-I217 HydrophobicContact CG1-CD1 3.78Å; V215-I217 HydrophobicContact CG1-CG1 3.85Å; V215-I217 HydrophobicContact CG1-CG2 3.96Å; V215-I217 PolarHBondContact O-N 3.44Å; V215-F225 HydrophobicContact CG1-CD2 4.16Å; V215-F225 HydrophobicContact CG1-CE1 4.42Å; V215-F225 HydrophobicContact CG1-CE2 3.91Å; V215-F225 HydrophobicContact CG1-CZ 4.06Å; V215-F225 HydrophobicContact CG2-CE1 4.22Å; V215-F225 HydrophobicContact CG2-CE2 4.3Å; V215-F225 HydrophobicContact CG2-CZ 3.76Å; V215-Y241 HydrophobicContact CG2-CD1 3.88Å; V215-V242 PolarHBondContact N-O 2.86Å; V215-F243 HydrophobicContact CB-CD1 3.72Å; V215-F243 HydrophobicContact CB-CE1 3.76Å; V215-F243 HydrophobicContact CB-CG 4.49Å; V215-F243 HydrophobicContact CG1-CD1 3.88Å; V215-F243 HydrophobicContact CG1-CE1 3.62Å; V215-F243 HydrophobicContact CG2-CE1 4.32Å; V215-F243 WeakPolarHBondContact O-CA 3.48Å; V215-T244 PolarHBondContact O-N 2.79Å
216D95.2Very high88.8Confident4 Ų439 Ų392%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-100.871.4177.5-171.682.6000111.1I164 S166 S170 K173 F174 T244I164-D216 PolarHBondContact O-N 3.41Å; S166-D216 PolarHBondContact N-O 2.89Å; S166-D216 PolarHBondContact OG-O 2.95Å; S170-D216 WeakPolarHBondContact CB-OD2 3.43Å; S170-D216 PolarHBondContact OG-OD2 2.86Å; K173-D216 IonicContact NZ-OD1 2.81Å; K173-D216 PolarHBondContact NZ-OD1 3.43Å; F174-D216 HydrophobicContact CE2-CB 4.16Å; F174-D216 HydrophobicContact CZ-CB 3.78Å; D216-T244 WeakPolarHBondContact CA-OG1 3.49Å; D216-T244 HydrophobicContact CB-CG2 4.39Å; D216-T244 VanDerWaalsContact CB-OG1 3.27Å; D216-T244 WeakPolarHBondContact CB-OG1 3.33Å; D216-T244 VanDerWaalsContact CG-OG1 3.27Å; D216-T244 PolarHBondContact OD1-OG1 3.22Å
217I93.1Very high89.2Confident3 Ų337.1 Ų37.12%0.01518%0.183CC..  trans-120152.5173.770.8-177.1000108.8W190 V215 E221 I222 F225 F243W190-I217 HydrophobicContact CB-CG2 3.91Å; W190-I217 HydrophobicContact CD2-CG2 4.26Å; W190-I217 HydrophobicContact CG-CG2 3.69Å; V215-I217 HydrophobicContact CG1-CB 4.43Å; V215-I217 HydrophobicContact CG1-CD1 3.78Å; V215-I217 HydrophobicContact CG1-CG1 3.85Å; V215-I217 HydrophobicContact CG1-CG2 3.96Å; V215-I217 PolarHBondContact O-N 3.44Å; I217-E221 HydrophobicContact CD1-CB 4.33Å; I217-I222 HydrophobicContact CD1-CG1 4.13Å; I217-I222 HydrophobicContact CG1-CG1 4.11Å; I217-F225 HydrophobicContact CD1-CB 3.58Å; I217-F225 HydrophobicContact CD1-CD2 4.07Å; I217-F225 HydrophobicContact CD1-CG 3.88Å; I217-F243 HydrophobicContact CD1-CE1 4.28Å
218P90.1Very high89.8Confident11 Ų1135.2 Ų35.27%0.07117%0.17CC..  trans-64.6147.2176.928.1-35.7000111.6W220 E221 D245P218-W220 HydrophobicContact CB-CD2 3.82Å; P218-W220 HydrophobicContact CB-CE3 4.09Å; P218-W220 HydrophobicContact CB-CH2 3.58Å; P218-W220 HydrophobicContact CB-CZ2 3.25Å; P218-W220 HydrophobicContact CB-CZ3 3.99Å; P218-W220 HydrophobicContact CG-CD2 4.33Å; P218-W220 HydrophobicContact CG-CH2 4.46Å; P218-W220 HydrophobicContact CG-CZ2 3.66Å; P218-W220 PolarHBondContact O-N 2.96Å; P218-E221 HydrophobicContact CG-CB 4.34Å; P218-E221 HydrophobicContact CG-CG 4Å; P218-E221 PolarHBondContact O-N 3.34Å; P218-D245 WeakPolarHBondContact CA-OD2 3.27Å
219F89.6Confident90.6Very high25 Ų2532.1 Ų32.111%0.1116%0.155CC..G310 helixtrans-55.2-30.4-17276.1-91.2000114.7E221 I222 D245 D247 V251F219-E221 VanDerWaalsContact C-N 3.28Å; F219-E221 PolarHBondContact O-N 3.46Å; F219-I222 HydrophobicContact CB-CD1 4.25Å; F219-I222 WeakPolarHBondContact O-CB 3.36Å; F219-I222 WeakPolarHBondContact O-CG1 3.35Å; F219-I222 PolarHBondContact O-N 2.95Å; F219-D245 HydrophobicContact CB-CB 4.43Å; F219-D245 PolarHBondContact N-OD2 2.99Å; F219-D247 HydrophobicContact CB-CB 4.17Å; F219-D247 HydrophobicContact CD1-CB 3.68Å; F219-D247 HydrophobicContact CD2-CB 4.44Å; F219-D247 HydrophobicContact CE1-CB 4.13Å; F219-D247 HydrophobicContact CG-CB 3.85Å; F219-V251 HydrophobicContact CB-CG2 4.22Å; F219-V251 HydrophobicContact CD2-CG2 4.28Å; F219-V251 WeakPolarHBondContact O-CG2 3.39Å
220W85.3Confident91.4Very high97 Ų9731 Ų3137%0.36715%0.147SC..G310 helixtrans-73.3-13179.558.275.4000114.5P218 R306P218-W220 HydrophobicContact CB-CD2 3.82Å; P218-W220 HydrophobicContact CB-CE3 4.09Å; P218-W220 HydrophobicContact CB-CH2 3.58Å; P218-W220 HydrophobicContact CB-CZ2 3.25Å; P218-W220 HydrophobicContact CB-CZ3 3.99Å; P218-W220 HydrophobicContact CG-CD2 4.33Å; P218-W220 HydrophobicContact CG-CH2 4.46Å; P218-W220 HydrophobicContact CG-CZ2 3.66Å; P218-W220 PolarHBondContact O-N 2.96Å; W220-R306 HydrophobicContact CD2-CG 3.93Å; W220-R306 HydrophobicContact CE3-CB 4.1Å; W220-R306 HydrophobicContact CE3-CG 4Å; W220-R306 HydrophobicContact CG-CG 4.21Å; W220-R306 HydrophobicContact CZ3-CB 4.29Å
221E89.7Confident91.8Very high40 Ų4034 Ų3419%0.18717%0.174CC..G310 helixtrans-94.7-7.9175.5-69.4-179.6-150.500112.8W190 I217 P218 F219 Q223 E224 F225W190-E221 VanDerWaalsContact CD1-OE2 3.26Å; W190-E221 PolarHBondContact NE1-OE2 3.39Å; I217-E221 HydrophobicContact CD1-CB 4.33Å; P218-E221 HydrophobicContact CG-CB 4.34Å; P218-E221 HydrophobicContact CG-CG 4Å; P218-E221 PolarHBondContact O-N 3.34Å; F219-E221 VanDerWaalsContact C-N 3.28Å; F219-E221 PolarHBondContact O-N 3.46Å; E221-Q223 VanDerWaalsContact C-N 3.29Å; E221-Q223 PolarHBondContact O-N 3.32Å; E221-E224 PolarHBondContact O-N 2.9Å; E221-E224 VanDerWaalsContact O-N 3.1Å; E221-F225 PolarHBondContact O-N 3.48Å
222I91.9Very high91.9Very high0 Ų035.6 Ų35.60%018%0.18CC..Hα-helixtrans-59.6-39.3-177-67178.9000111.8I217 F219 E224 F225 L226 F243 V248 V251 F256I217-I222 HydrophobicContact CD1-CG1 4.13Å; I217-I222 HydrophobicContact CG1-CG1 4.11Å; F219-I222 HydrophobicContact CB-CD1 4.25Å; F219-I222 WeakPolarHBondContact O-CB 3.36Å; F219-I222 WeakPolarHBondContact O-CG1 3.35Å; F219-I222 PolarHBondContact O-N 2.95Å; I222-E224 VanDerWaalsContact C-N 3.34Å; I222-E224 PolarHBondContact O-N 3.44Å; I222-F225 WeakPolarHBondContact O-CB 3.39Å; I222-F225 PolarHBondContact O-N 3.08Å; I222-L226 HydrophobicContact CG2-CD1 3.81Å; I222-L226 HydrophobicContact CG2-CG 4.13Å; I222-L226 WeakPolarHBondContact O-CB 3.47Å; I222-L226 WeakPolarHBondContact O-CG 3.37Å; I222-L226 PolarHBondContact O-N 3.35Å; I222-F243 HydrophobicContact CB-CE1 4.48Å; I222-F243 HydrophobicContact CD1-CD1 3.81Å; I222-F243 HydrophobicContact CD1-CE1 4.17Å; I222-F243 HydrophobicContact CD1-CG 4.21Å; I222-F243 HydrophobicContact CG1-CD1 3.96Å; I222-F243 HydrophobicContact CG1-CE1 3.88Å; I222-F243 HydrophobicContact CG2-CE1 4.07Å; I222-F243 HydrophobicContact CG2-CZ 4.01Å; I222-V248 HydrophobicContact CD1-CB 4.14Å; I222-V248 HydrophobicContact CD1-CG1 4.01Å; I222-V248 HydrophobicContact CD1-CG2 3.46Å; I222-V248 VanDerWaalsContact CD1-CG2 3.46Å; I222-V251 HydrophobicContact CB-CG2 4.41Å; I222-V251 HydrophobicContact CD1-CG2 4.17Å; I222-F256 HydrophobicContact CG2-CE1 4.27Å; I222-F256 HydrophobicContact CG2-CZ 4.3Å
223Q90.6Very high91.7Very high108 Ų10836.8 Ų36.851%0.50519%0.191SC..Hα-helixtrans-63-41.2177.8-175.6177.5-0.500112.1E221 T227 A255E221-Q223 VanDerWaalsContact C-N 3.29Å; E221-Q223 PolarHBondContact O-N 3.32Å; Q223-T227 WeakPolarHBondContact O-CB 3.24Å; Q223-T227 PolarHBondContact O-N 2.94Å; Q223-T227 PolarHBondContact O-OG1 3.18Å; Q223-A255 HydrophobicContact CB-CB 3.93Å; Q223-A255 HydrophobicContact CG-CB 3.89Å
224E89Confident91.4Very high88 Ų8836.9 Ų36.941%0.41119%0.191SC..Hα-helixtrans-66.4-43.3176.4-174.1177.817100110.6E221 I222 T227 L228E221-E224 PolarHBondContact O-N 2.9Å; E221-E224 VanDerWaalsContact O-N 3.1Å; I222-E224 VanDerWaalsContact C-N 3.34Å; I222-E224 PolarHBondContact O-N 3.44Å; E224-T227 PolarHBondContact O-N 2.94Å; E224-L228 WeakPolarHBondContact O-CB 3.36Å; E224-L228 PolarHBondContact O-N 3.38Å
225F93.5Very high91.1Very high0 Ų036.9 Ų36.90%019%0.191CC..Hα-helixtrans-56.8-51.9174.9176.8-88.5000112.3I164 W190 I201 V215 I217 E221 I222 T227 L228 A229 Y241 F243I164-F225 HydrophobicContact CD1-CE2 3.85Å; I164-F225 HydrophobicContact CD1-CZ 4.24Å; W190-F225 HydrophobicContact CE3-CD2 4.03Å; W190-F225 HydrophobicContact CE3-CE2 4.48Å; W190-F225 HydrophobicContact CH2-CB 4.05Å; W190-F225 AromaticContact CH2-CD2 3.69Å; W190-F225 HydrophobicContact CH2-CD2 3.69Å; W190-F225 HydrophobicContact CH2-CG 4.33Å; W190-F225 HydrophobicContact CZ2-CB 4.18Å; W190-F225 HydrophobicContact CZ2-CD2 4.32Å; W190-F225 AromaticContact CZ3-CD2 3.52Å; W190-F225 HydrophobicContact CZ3-CD2 3.52Å; W190-F225 HydrophobicContact CZ3-CE2 4.09Å; I201-F225 HydrophobicContact CD1-CE2 3.99Å; I201-F225 HydrophobicContact CD1-CZ 4.49Å; V215-F225 HydrophobicContact CG1-CD2 4.16Å; V215-F225 HydrophobicContact CG1-CE1 4.42Å; V215-F225 HydrophobicContact CG1-CE2 3.91Å; V215-F225 HydrophobicContact CG1-CZ 4.06Å; V215-F225 HydrophobicContact CG2-CE1 4.22Å; V215-F225 HydrophobicContact CG2-CE2 4.3Å; V215-F225 HydrophobicContact CG2-CZ 3.76Å; I217-F225 HydrophobicContact CD1-CB 3.58Å; I217-F225 HydrophobicContact CD1-CD2 4.07Å; I217-F225 HydrophobicContact CD1-CG 3.88Å; E221-F225 PolarHBondContact O-N 3.48Å; I222-F225 WeakPolarHBondContact O-CB 3.39Å; I222-F225 PolarHBondContact O-N 3.08Å; F225-T227 PolarHBondContact O-N 3.37Å; F225-L228 PolarHBondContact O-N 2.92Å; F225-A229 WeakPolarHBondContact O-CB 3.41Å; F225-A229 PolarHBondContact O-N 3.48Å; F225-Y241 AromaticContact CE1-CD1 3.81Å; F225-Y241 HydrophobicContact CE1-CD1 3.81Å; F225-Y241 AromaticContact CE1-CE1 3.81Å; F225-Y241 HydrophobicContact CE1-CE1 3.81Å; F225-Y241 AromaticContact CZ-CD1 3.87Å; F225-Y241 HydrophobicContact CZ-CD1 3.87Å; F225-Y241 AromaticContact CZ-CE1 3.7Å; F225-Y241 HydrophobicContact CZ-CE1 3.7Å; F225-F243 HydrophobicContact CD1-CE1 4.12Å; F225-F243 AromaticContact CD1-CZ 3.93Å; F225-F243 HydrophobicContact CD1-CZ 3.93Å; F225-F243 HydrophobicContact CE1-CE1 4.35Å; F225-F243 HydrophobicContact CE1-CZ 4.03Å
226L93.7Very high90.6Very high0 Ų038 Ų380%020%0.198CC..Hα-helixtrans-64.7-39.8-179.1-69.4175.2000111.9I222 L228 A229 N230 F243 F256 V259I222-L226 HydrophobicContact CG2-CD1 3.81Å; I222-L226 HydrophobicContact CG2-CG 4.13Å; I222-L226 WeakPolarHBondContact O-CB 3.47Å; I222-L226 WeakPolarHBondContact O-CG 3.37Å; I222-L226 PolarHBondContact O-N 3.35Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 3.38Å; L226-A229 PolarHBondContact O-N 3.19Å; L226-N230 VanDerWaalsContact O-CB 3.3Å; L226-N230 WeakPolarHBondContact O-CB 3.2Å; L226-N230 PolarHBondContact O-N 2.77Å; L226-F243 HydrophobicContact CD2-CZ 4.32Å; L226-F256 HydrophobicContact CD1-CD1 3.5Å; L226-F256 VanDerWaalsContact CD1-CD1 3.5Å; L226-F256 HydrophobicContact CD1-CE1 3.7Å; L226-F256 HydrophobicContact CD1-CG 4.23Å; L226-V259 HydrophobicContact CD2-CG2 4.12Å
227T91.6Very high89.9Confident81 Ų8138.8 Ų38.850%0.49720%0.202SC..Hα-helixtrans-61.1-44.2175.7-56.80000111Q223 E224 F225 N230 A231Q223-T227 WeakPolarHBondContact O-CB 3.24Å; Q223-T227 PolarHBondContact O-N 2.94Å; Q223-T227 PolarHBondContact O-OG1 3.18Å; E224-T227 PolarHBondContact O-N 2.94Å; F225-T227 PolarHBondContact O-N 3.37Å; T227-N230 PolarHBondContact O-N 2.73Å; T227-A231 PolarHBondContact O-N 3.22Å
228L91.8Very high89.4Confident25 Ų2539.2 Ų39.213%0.13120%0.204CC..Hα-helixtrans-67.6-44.5177.7-172.862.6000111.6W190 Q197 K198 I201 E224 F225 L226 N230 A231 Y232W190-L228 HydrophobicContact CH2-CD2 3.89Å; W190-L228 HydrophobicContact CZ3-CD2 4.27Å; Q197-L228 HydrophobicContact CB-CD2 4.29Å; Q197-L228 HydrophobicContact CG-CD2 3.92Å; K198-L228 HydrophobicContact CG-CD1 4.12Å; K198-L228 HydrophobicContact CG-CD2 4.4Å; I201-L228 HydrophobicContact CB-CD2 4.2Å; I201-L228 HydrophobicContact CB-CG 4.23Å; I201-L228 HydrophobicContact CG1-CD2 3.67Å; I201-L228 HydrophobicContact CG1-CG 3.98Å; I201-L228 HydrophobicContact CG2-CG 4.29Å; E224-L228 WeakPolarHBondContact O-CB 3.36Å; E224-L228 PolarHBondContact O-N 3.38Å; F225-L228 PolarHBondContact O-N 2.92Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 3.38Å; L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 2.95Å; L228-A231 WeakPolarHBondContact O-CB 3.33Å; L228-A231 PolarHBondContact O-N 2.05Å; L228-Y232 HydrophobicContact CD1-CD2 4.15Å; L228-Y232 HydrophobicContact CD1-CE2 3.81Å; L228-Y232 HydrophobicContact CG-CD2 4.47Å; L228-Y232 HydrophobicContact CG-CE2 4.49Å; L228-Y232 WeakPolarHBondContact O-CD2 3.46Å; L228-Y232 PolarHBondContact O-N 3.43Å
229A92.8Very high89.4Confident0 Ų038.9 Ų38.90%020%0.201CC..Hα-helixtrans-59.8-41.3175.900000111.7F225 L226 Y232 N233 M234 T235F225-A229 WeakPolarHBondContact O-CB 3.41Å; F225-A229 PolarHBondContact O-N 3.48Å; L226-A229 PolarHBondContact O-N 3.19Å; A229-Y232 CarbonylContact O-C 3.49Å; A229-Y232 PolarHBondContact O-N 2.72Å; A229-N233 PolarHBondContact O-N 3.05Å; A229-M234 HydrophobicContact CB-CB 4.28Å; A229-M234 WeakPolarHBondContact O-CB 3.24Å; A229-M234 PolarHBondContact O-N 2.73Å; A229-T235 HydrophobicContact CB-CG2 4.1Å
230N91.6Very high89.5Confident54 Ų5437.8 Ų37.829%0.28920%0.196SC..Hα-helixtrans-64.7-41.5176.1-174.343.7000111.7L226 T227 L228 Y232 N233 T235 S258L226-N230 VanDerWaalsContact O-CB 3.3Å; L226-N230 WeakPolarHBondContact O-CB 3.2Å; L226-N230 PolarHBondContact O-N 2.77Å; T227-N230 PolarHBondContact O-N 2.73Å; L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 2.95Å; N230-Y232 PolarHBondContact O-N 2.92Å; N230-N233 PolarHBondContact O-N 3.42Å; N230-T235 HydrophobicContact CB-CG2 3.88Å; N230-T235 PolarHBondContact OD1-OG1 3.04Å; N230-T235 VanDerWaalsContact OD1-OG1 3.11Å; N230-S258 PolarHBondContact OD1-O 2.98Å
231A90.8Very high90.1Very high80 Ų8033.2 Ų33.266%0.66118%0.179SC*.Hα-helixtrans-59.5-30.3176.700000113.1T227 L228T227-A231 PolarHBondContact O-N 3.22Å; L228-A231 WeakPolarHBondContact O-CB 3.33Å; L228-A231 PolarHBondContact O-N 2.05Å
232Y89.7Confident90.4Very high73 Ų7331.3 Ų31.329%0.28617%0.17SC..THydrogen-bonded Turntrans-94.89.4174.2-75.3-85.6000113.8I201 K202 K205 L228 A229 N230 M234I201-Y232 HydrophobicContact CB-CD2 4.39Å; I201-Y232 HydrophobicContact CG2-CD2 3.48Å; I201-Y232 VanDerWaalsContact CG2-CD2 3.48Å; I201-Y232 HydrophobicContact CG2-CE2 4.23Å; I201-Y232 HydrophobicContact CG2-CG 3.78Å; K202-Y232 HydrophobicContact CB-CE1 3.8Å; K202-Y232 HydrophobicContact CG-CE1 3.97Å; K205-Y232 HydrophobicContact CB-CD1 4.34Å; K205-Y232 WeakPolarHBondContact CD-O 3.45Å; K205-Y232 WeakPolarHBondContact CE-O 3.38Å; K205-Y232 HydrophobicContact CG-CD1 4.38Å; K205-Y232 PolarHBondContact NZ-O 2.69Å; L228-Y232 HydrophobicContact CD1-CD2 4.15Å; L228-Y232 HydrophobicContact CD1-CE2 3.81Å; L228-Y232 HydrophobicContact CG-CD2 4.47Å; L228-Y232 HydrophobicContact CG-CE2 4.49Å; L228-Y232 WeakPolarHBondContact O-CD2 3.46Å; L228-Y232 PolarHBondContact O-N 3.43Å; A229-Y232 CarbonylContact O-C 3.49Å; A229-Y232 PolarHBondContact O-N 2.72Å; N230-Y232 PolarHBondContact O-N 2.92Å; Y232-M234 PolarHBondContact O-N 3.15Å
233N87.2Confident90.6Very high84 Ų8431.3 Ų31.345%0.44917%0.17SC..THydrogen-bonded Turntrans5351.4-177.9-167.214.2000112.1K205 A229 N230K205-N233 PolarHBondContact NZ-O 2.73Å; A229-N233 PolarHBondContact O-N 3.05Å; N230-N233 PolarHBondContact O-N 3.42Å
234M90.3Very high90.8Very high1 Ų126.3 Ų26.31%0.00515%0.147CC..  trans-110.115.3174.8-64.4179.155.200112.3I201 F204 K205 F213 A229 Y232 Y239 Y241I201-M234 HydrophobicContact CG2-SD 3.7Å; F204-M234 HydrophobicContact CB-CE 3.91Å; K205-M234 HydrophobicContact CB-CG 4.43Å; K205-M234 HydrophobicContact CB-SD 3.95Å; K205-M234 HydrophobicContact CD-CG 4.08Å; F213-M234 HydrophobicContact CE1-CE 4.45Å; F213-M234 HydrophobicContact CE2-CE 4.05Å; F213-M234 HydrophobicContact CZ-CE 3.76Å; A229-M234 HydrophobicContact CB-CB 4.28Å; A229-M234 WeakPolarHBondContact O-CB 3.24Å; A229-M234 PolarHBondContact O-N 2.73Å; Y232-M234 PolarHBondContact O-N 3.15Å; M234-Y239 HydrophobicContact CB-CD1 4.09Å; M234-Y239 HydrophobicContact CB-CE1 3.77Å; M234-Y239 HydrophobicContact CB-CE2 4.3Å; M234-Y239 HydrophobicContact CE-CD1 4.38Å; M234-Y239 HydrophobicContact CE-CE1 3.85Å; M234-Y239 HydrophobicContact CG-CE1 3.85Å; M234-Y239 WeakPolarHBondContact O-CB 3.14Å; M234-Y239 WeakPolarHBondContact O-CD1 3.37Å; M234-Y239 WeakPolarHBondContact O-CD2 3.26Å; M234-Y241 WeakPolarHBondContact CB-OH 3.42Å; M234-Y241 WeakPolarHBondContact O-CE2 3.45Å; M234-Y241 PolarHBondContact O-OH 3.07Å
235T89.8Confident91Very high0 Ų023.6 Ų23.60%014%0.136CC..  trans-107.58.9179.851.90000113.4A229 N230 S258 Q260 G261 A262A229-T235 HydrophobicContact CB-CG2 4.1Å; N230-T235 HydrophobicContact CB-CG2 3.88Å; N230-T235 PolarHBondContact OD1-OG1 3.04Å; N230-T235 VanDerWaalsContact OD1-OG1 3.11Å; T235-S258 PolarHBondContact OG1-O 3.45Å; T235-Q260 CarbonylContact O-C 3.59Å; T235-Q260 VanDerWaalsContact O-C 3.24Å; T235-Q260 WeakPolarHBondContact O-CA 2.99Å; T235-Q260 PolarHBondContact O-N 3.06Å; T235-G261 PolarHBondContact O-N 2.8Å; T235-A262 WeakPolarHBondContact O-CB 3.43Å; T235-A262 PolarHBondContact O-N 3.24Å; T235-A262 VanDerWaalsContact O-N 3.17Å
236S84.8Confident90.9Very high23 Ų2324.6 Ų24.616%0.16114%0.139CC..BIsolated β-bridgetrans-72.1167.8176.170.20000112.6Y238 Y239 A262S236-Y238 PolarHBondContact O-N 3.23Å; S236-Y239 PolarHBondContact O-N 3.02Å; S236-Y239 WeakPolarHBondContact OG-CD2 3.22Å; S236-A262 WeakPolarHBondContact O-CA 3.46Å; S236-A262 WeakPolarHBondContact O-CB 3.19Å; S236-A262 PolarHBondContact O-N 3.45Å
237Q81.1Confident90.7Very high22 Ų2224.7 Ų24.710%0.10314%0.14CC..THydrogen-bonded Turntrans-52.2-17.9-179.867.3-174.62.400118.1Y239 G261 K776 Y777Q237-Y239 VanDerWaalsContact C-N 3.32Å; Q237-G261 VanDerWaalsContact CA-O 3.29Å; Q237-G261 WeakPolarHBondContact CA-O 3.43Å; Q237-K776 HydrophobicContact CB-CD 4.09Å; Q237-K776 VanDerWaalsContact CB-CE 3.46Å; Q237-Y777 PolarHBondContact OE1-OH 3.38Å
238Y82.2Confident90.7Very high11 Ų1120.9 Ų20.94%0.04312%0.116CC..THydrogen-bonded Turntrans-86.9-8-177.3-56-72000113.2F211 R212 S236 P772F211-Y238 WeakPolarHBondContact CB-O 3.45Å; R212-Y238 PolarHBondContact NH1-O 3.3Å; S236-Y238 PolarHBondContact O-N 3.23Å; Y238-P772 HydrophobicContact CD1-CB 4.46Å; Y238-P772 HydrophobicContact CE1-CB 3.75Å; Y238-P772 HydrophobicContact CE1-CG 4.06Å
239Y90Very high90.4Very high4 Ų421 Ų212%0.01612%0.116CC..  trans-98.1140.7-179.6-68.4-95.6000110F211 F213 M234 S236 Q237 Y241 A262 N263F211-Y239 HydrophobicContact CD1-CD1 4.42Å; F211-Y239 AromaticContact CD1-CE1 3.83Å; F211-Y239 HydrophobicContact CD1-CE1 3.83Å; F211-Y239 HydrophobicContact CD1-CE2 4.46Å; F211-Y239 AromaticContact CD1-CZ 3.86Å; F211-Y239 VanDerWaalsContact O-CA 3.31Å; F211-Y239 WeakPolarHBondContact O-CA 3.18Å; F213-Y239 HydrophobicContact CD2-CD1 4.35Å; F213-Y239 AromaticContact CE2-CD1 3.71Å; F213-Y239 HydrophobicContact CE2-CD1 3.71Å; F213-Y239 HydrophobicContact CE2-CE1 4.01Å; M234-Y239 HydrophobicContact CB-CD1 4.09Å; M234-Y239 HydrophobicContact CB-CE1 3.77Å; M234-Y239 HydrophobicContact CB-CE2 4.3Å; M234-Y239 HydrophobicContact CE-CD1 4.38Å; M234-Y239 HydrophobicContact CE-CE1 3.85Å; M234-Y239 HydrophobicContact CG-CE1 3.85Å; M234-Y239 WeakPolarHBondContact O-CB 3.14Å; M234-Y239 WeakPolarHBondContact O-CD1 3.37Å; M234-Y239 WeakPolarHBondContact O-CD2 3.26Å; S236-Y239 PolarHBondContact O-N 3.02Å; S236-Y239 WeakPolarHBondContact OG-CD2 3.22Å; Q237-Y239 VanDerWaalsContact C-N 3.32Å; Y239-Y241 HydrophobicContact CG-CE2 4.44Å; Y239-A262 CarbonylContact O-C 3.32Å; Y239-A262 VanDerWaalsContact O-CA 3.24Å; Y239-A262 WeakPolarHBondContact O-CA 3.17Å; Y239-A262 VanDerWaalsContact O-CB 3.28Å; Y239-A262 WeakPolarHBondContact O-CB 3.09Å; Y239-N263 PolarHBondContact O-N 3.14Å
240S93Very high89.8Confident2 Ų223.9 Ų23.91%0.01413%0.131CC..EExtended strand (participates in β ladder)trans-126.5136.8167.7-55.50000110.2W158 F211 R212 F213 N263W158-S240 VanDerWaalsContact CZ2-CB 3.41Å; F211-S240 PolarHBondContact O-N 3.43Å; R212-S240 PolarHBondContact NH1-OG 2.84Å; F213-S240 PolarHBondContact N-O 3.27Å; S240-N263 CarbonylContact C-O 3.55Å; S240-N263 VanDerWaalsContact CA-O 3.31Å; S240-N263 WeakPolarHBondContact CA-O 3.39Å
241Y96.2Very high89.4Confident1 Ų122.1 Ų22.10%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-125.8125.3-179.7-60.9-85.2000109.8F213 V215 F225 M234 Y239 A262 N263 I264 T265F213-Y241 HydrophobicContact CB-CD1 3.62Å; F213-Y241 HydrophobicContact CB-CE1 3.9Å; F213-Y241 HydrophobicContact CD2-CD1 4.1Å; F213-Y241 AromaticContact CD2-CE1 3.6Å; F213-Y241 HydrophobicContact CD2-CE1 3.6Å; F213-Y241 HydrophobicContact CE2-CE1 4.39Å; F213-Y241 HydrophobicContact CG-CD1 4.11Å; F213-Y241 AromaticContact CG-CE1 3.86Å; F213-Y241 HydrophobicContact CG-CE1 3.86Å; F213-Y241 CarbonylContact O-C 3.51Å; F213-Y241 WeakPolarHBondContact O-CA 3.41Å; V215-Y241 HydrophobicContact CG2-CD1 3.88Å; F225-Y241 AromaticContact CE1-CD1 3.81Å; F225-Y241 HydrophobicContact CE1-CD1 3.81Å; F225-Y241 AromaticContact CE1-CE1 3.81Å; F225-Y241 HydrophobicContact CE1-CE1 3.81Å; F225-Y241 AromaticContact CZ-CD1 3.87Å; F225-Y241 HydrophobicContact CZ-CD1 3.87Å; F225-Y241 AromaticContact CZ-CE1 3.7Å; F225-Y241 HydrophobicContact CZ-CE1 3.7Å; M234-Y241 WeakPolarHBondContact CB-OH 3.42Å; M234-Y241 WeakPolarHBondContact O-CE2 3.45Å; M234-Y241 PolarHBondContact O-OH 3.07Å; Y239-Y241 HydrophobicContact CG-CE2 4.44Å; Y241-A262 HydrophobicContact CD2-CB 4.23Å; Y241-A262 HydrophobicContact CE2-CB 4.1Å; Y241-N263 PolarHBondContact N-O 3.31Å; Y241-I264 HydrophobicContact CD2-CD1 3.59Å; Y241-I264 HydrophobicContact CG-CD1 4.09Å; Y241-T265 PolarHBondContact O-N 3.11Å
242V97Very high89Confident0 Ų022.2 Ų22.20%011%0.112CC..EExtended strand (participates in β ladder)trans-107.6107.6171.5175.40000108.3L148 Y151 W158 F213 I214 V215 T265 F267L148-V242 HydrophobicContact CD1-CG1 3.64Å; Y151-V242 HydrophobicContact CD1-CG2 4.09Å; Y151-V242 HydrophobicContact CE1-CG2 3.55Å; W158-V242 HydrophobicContact CH2-CB 4.46Å; W158-V242 HydrophobicContact CH2-CG2 3.53Å; W158-V242 HydrophobicContact CZ2-CG2 4.23Å; W158-V242 HydrophobicContact CZ3-CG2 4.14Å; F213-V242 PolarHBondContact O-N 3.47Å; I214-V242 CarbonylContact C-O 3.59Å; I214-V242 WeakPolarHBondContact CA-O 3.43Å; I214-V242 HydrophobicContact CG1-CB 4.48Å; V215-V242 PolarHBondContact N-O 2.86Å; V242-T265 CarbonylContact C-O 3.56Å; V242-T265 WeakPolarHBondContact CA-O 3.31Å; V242-F267 HydrophobicContact CG1-CD2 4.2Å; V242-F267 HydrophobicContact CG1-CE2 3.78Å
243F96.7Very high88.7Confident1 Ų123.6 Ų23.60%0.00413%0.13CC..EExtended strand (participates in β ladder)trans-83.6139.8173.1-66.7-84.1000110.6V215 I217 I222 F225 L226 V248 I264 T265 T266V215-F243 HydrophobicContact CB-CD1 3.72Å; V215-F243 HydrophobicContact CB-CE1 3.76Å; V215-F243 HydrophobicContact CB-CG 4.49Å; V215-F243 HydrophobicContact CG1-CD1 3.88Å; V215-F243 HydrophobicContact CG1-CE1 3.62Å; V215-F243 HydrophobicContact CG2-CE1 4.32Å; V215-F243 WeakPolarHBondContact O-CA 3.48Å; I217-F243 HydrophobicContact CD1-CE1 4.28Å; I222-F243 HydrophobicContact CB-CE1 4.48Å; I222-F243 HydrophobicContact CD1-CD1 3.81Å; I222-F243 HydrophobicContact CD1-CE1 4.17Å; I222-F243 HydrophobicContact CD1-CG 4.21Å; I222-F243 HydrophobicContact CG1-CD1 3.96Å; I222-F243 HydrophobicContact CG1-CE1 3.88Å; I222-F243 HydrophobicContact CG2-CE1 4.07Å; I222-F243 HydrophobicContact CG2-CZ 4.01Å; F225-F243 HydrophobicContact CD1-CE1 4.12Å; F225-F243 AromaticContact CD1-CZ 3.93Å; F225-F243 HydrophobicContact CD1-CZ 3.93Å; F225-F243 HydrophobicContact CE1-CE1 4.35Å; F225-F243 HydrophobicContact CE1-CZ 4.03Å; L226-F243 HydrophobicContact CD2-CZ 4.32Å; F243-V248 HydrophobicContact CB-CB 4.44Å; F243-V248 HydrophobicContact CB-CG1 4.22Å; F243-V248 HydrophobicContact CB-CG2 3.5Å; F243-V248 HydrophobicContact CD2-CG1 4.43Å; F243-V248 HydrophobicContact CG-CG1 4.44Å; F243-V248 HydrophobicContact CG-CG2 4.25Å; F243-I264 HydrophobicContact CD2-CG2 3.76Å; F243-I264 HydrophobicContact CE2-CD1 4.35Å; F243-I264 HydrophobicContact CE2-CG2 3.7Å; F243-T265 PolarHBondContact N-O 2.83Å; F243-T266 WeakPolarHBondContact O-CA 3.46Å; F243-T266 PolarHBondContact O-OG1 3.14Å
244T94.3Very high88.6Confident3 Ų326.1 Ų26.12%0.01814%0.137CC..  trans-106.1-4.1-173.860.60000113.7F144 F174 I214 V215 D216F144-T244 HydrophobicContact CE1-CG2 4.18Å; F144-T244 HydrophobicContact CZ-CG2 3.88Å; F174-T244 HydrophobicContact CE1-CG2 4.09Å; F174-T244 HydrophobicContact CZ-CG2 4.21Å; I214-T244 HydrophobicContact CG2-CG2 3.74Å; V215-T244 PolarHBondContact O-N 2.79Å; D216-T244 WeakPolarHBondContact CA-OG1 3.49Å; D216-T244 HydrophobicContact CB-CG2 4.39Å; D216-T244 VanDerWaalsContact CB-OG1 3.27Å; D216-T244 WeakPolarHBondContact CB-OG1 3.33Å; D216-T244 VanDerWaalsContact CG-OG1 3.27Å; D216-T244 PolarHBondContact OD1-OG1 3.22Å
245D92.8Very high88.4Confident31 Ų3126.3 Ų26.317%0.16614%0.138CC..  trans-80.6132.2175.9-168.3-53000110P218 F219 D247 V248 T266P218-D245 WeakPolarHBondContact CA-OD2 3.27Å; F219-D245 HydrophobicContact CB-CB 4.43Å; F219-D245 PolarHBondContact N-OD2 2.99Å; D245-D247 PolarHBondContact O-N 2.85Å; D245-D247 PolarHBondContact OD1-N 3.23Å; D245-V248 HydrophobicContact CB-CG2 4.08Å; D245-V248 WeakPolarHBondContact O-CG2 3.37Å; D245-V248 PolarHBondContact O-N 3.47Å; D245-T266 PolarHBondContact O-OG1 3.33Å
246W91.2Very high88.4Confident21 Ų2127 Ų278%0.0814%0.141CC..THydrogen-bonded Turntrans-64.7-21.5-174.6-57.5124.2000114.1H138 F144 F267 T268 I269 T310 L387H138-W246 AromaticContact CE1-NE1 3.49Å; H138-W246 PolarHBondContact CE1-NE1 3.12Å; H138-W246 AromaticContact NE2-CD1 3.87Å; H138-W246 AromaticContact NE2-CE2 4Å; H138-W246 AromaticContact NE2-NE1 3.04Å; H138-W246 PolarHBondContact NE2-NE1 2.92Å; F144-W246 AromaticContact CD2-CH2 3.45Å; F144-W246 HydrophobicContact CD2-CH2 3.45Å; F144-W246 VanDerWaalsContact CD2-CH2 3.45Å; F144-W246 HydrophobicContact CD2-CZ2 4.04Å; F144-W246 HydrophobicContact CD2-CZ3 4.01Å; F144-W246 HydrophobicContact CE2-CH2 4.03Å; F144-W246 HydrophobicContact CE2-CZ3 4.17Å; F144-W246 HydrophobicContact CG-CH2 4.31Å; W246-F267 HydrophobicContact CE3-CB 4.2Å; W246-F267 HydrophobicContact CZ3-CB 3.8Å; W246-T268 PolarHBondContact O-OG1 3.04Å; W246-I269 HydrophobicContact CD2-CG2 4.46Å; W246-I269 HydrophobicContact CE3-CG2 4.1Å; W246-I269 HydrophobicContact CH2-CG2 3.86Å; W246-I269 HydrophobicContact CZ2-CG2 4.28Å; W246-I269 HydrophobicContact CZ3-CG2 3.76Å; W246-T310 HydrophobicContact CB-CG2 3.76Å; W246-T310 WeakPolarHBondContact CB-OG1 3.45Å; W246-T310 HydrophobicContact CG-CG2 3.97Å; W246-L387 HydrophobicContact CH2-CD1 4.46Å; W246-L387 HydrophobicContact CH2-CD2 3.67Å; W246-L387 HydrophobicContact CZ3-CD2 4.07Å
247D89.8Confident88.4Confident2 Ų233.2 Ų33.21%0.01117%0.168CC..THydrogen-bonded Turntrans-98.88-171.7-64.8-37.7000113.6F219 D245 Q249 L250 S308 P309 T310F219-D247 HydrophobicContact CB-CB 4.17Å; F219-D247 HydrophobicContact CD1-CB 3.68Å; F219-D247 HydrophobicContact CD2-CB 4.44Å; F219-D247 HydrophobicContact CE1-CB 4.13Å; F219-D247 HydrophobicContact CG-CB 3.85Å; D245-D247 PolarHBondContact O-N 2.85Å; D245-D247 PolarHBondContact OD1-N 3.23Å; D247-Q249 PolarHBondContact O-N 3.04Å; D247-Q249 VanDerWaalsContact O-N 3.17Å; D247-L250 WeakPolarHBondContact O-CB 3.02Å; D247-L250 PolarHBondContact O-N 3.15Å; D247-S308 WeakPolarHBondContact OD2-CA 3.42Å; D247-S308 VanDerWaalsContact OD2-CB 3.25Å; D247-S308 WeakPolarHBondContact OD2-CB 3.34Å; D247-S308 PolarHBondContact OD2-OG 2.92Å; D247-P309 WeakPolarHBondContact OD2-CD 3.49Å; D247-T310 WeakPolarHBondContact OD1-CB 3.09Å; D247-T310 PolarHBondContact OD1-N 2.74Å; D247-T310 PolarHBondContact OD1-OG1 3.23Å
248V90.8Very high88.4Confident0 Ų033.3 Ų33.30%017%0.171CC..G310 helixtrans-55.2-35.9-179.5174.50000112.5I222 F243 D245 L250 V251 F256 T266 F397I222-V248 HydrophobicContact CD1-CB 4.14Å; I222-V248 HydrophobicContact CD1-CG1 4.01Å; I222-V248 HydrophobicContact CD1-CG2 3.46Å; I222-V248 VanDerWaalsContact CD1-CG2 3.46Å; F243-V248 HydrophobicContact CB-CB 4.44Å; F243-V248 HydrophobicContact CB-CG1 4.22Å; F243-V248 HydrophobicContact CB-CG2 3.5Å; F243-V248 HydrophobicContact CD2-CG1 4.43Å; F243-V248 HydrophobicContact CG-CG1 4.44Å; F243-V248 HydrophobicContact CG-CG2 4.25Å; D245-V248 HydrophobicContact CB-CG2 4.08Å; D245-V248 WeakPolarHBondContact O-CG2 3.37Å; D245-V248 PolarHBondContact O-N 3.47Å; V248-L250 PolarHBondContact O-N 3.21Å; V248-V251 WeakPolarHBondContact O-CB 3.47Å; V248-V251 WeakPolarHBondContact O-CG2 3.1Å; V248-V251 PolarHBondContact O-N 3.29Å; V248-V251 VanDerWaalsContact O-N 3.14Å; V248-F256 HydrophobicContact CG1-CZ 4.18Å; V248-T266 HydrophobicContact CB-CG2 3.99Å; V248-T266 WeakPolarHBondContact CB-OG1 3.47Å; V248-T266 HydrophobicContact CG1-CG2 4.06Å; V248-T266 WeakPolarHBondContact CG2-OG1 3.41Å; V248-F397 HydrophobicContact CG1-CE1 4.49Å; V248-F397 HydrophobicContact CG1-CE2 4.37Å; V248-F397 HydrophobicContact CG1-CZ 3.8Å
249Q85.5Confident88.6Confident27 Ų2734 Ų3413%0.12618%0.177CC..G310 helixtrans-61.8-13.1178.269.3172.3-50.400114D247 T268 L390 F397D247-Q249 PolarHBondContact O-N 3.04Å; D247-Q249 VanDerWaalsContact O-N 3.17Å; Q249-T268 PolarHBondContact NE2-OG1 3.28Å; Q249-L390 HydrophobicContact CB-CD1 3.93Å; Q249-L390 HydrophobicContact CG-CD1 4.47Å; Q249-F397 HydrophobicContact CB-CD2 4.17Å; Q249-F397 HydrophobicContact CB-CG 4.44Å
250L80.1Confident88.1Confident61 Ų6138.9 Ų38.932%0.31920%0.199SC..G310 helixtrans-104.8-2.3-176.6-52.7176.9000112.8D247 V248 M273 P309D247-L250 WeakPolarHBondContact O-CB 3.02Å; D247-L250 PolarHBondContact O-N 3.15Å; V248-L250 PolarHBondContact O-N 3.21Å; L250-M273 HydrophobicContact CD2-CE 4.32Å; L250-M273 HydrophobicContact CD2-CG 4.05Å; L250-P309 HydrophobicContact CD1-CB 3.42Å; L250-P309 VanDerWaalsContact CD1-CB 3.42Å; L250-P309 HydrophobicContact CD1-CG 3.31Å
251V84.4Confident87.6Confident17 Ų1739.4 Ų39.410%0.10321%0.205CC..SBendtrans-63.2140.2170.8175.60000108.8F219 I222 V248 P253 A255 F256F219-V251 HydrophobicContact CB-CG2 4.22Å; F219-V251 HydrophobicContact CD2-CG2 4.28Å; F219-V251 WeakPolarHBondContact O-CG2 3.39Å; I222-V251 HydrophobicContact CB-CG2 4.41Å; I222-V251 HydrophobicContact CD1-CG2 4.17Å; V248-V251 WeakPolarHBondContact O-CB 3.47Å; V248-V251 WeakPolarHBondContact O-CG2 3.1Å; V248-V251 PolarHBondContact O-N 3.29Å; V248-V251 VanDerWaalsContact O-N 3.14Å; V251-P253 WeakPolarHBondContact O-CD 3.27Å; V251-A255 HydrophobicContact CG1-CB 3.73Å; V251-F256 HydrophobicContact CB-CE2 3.83Å; V251-F256 HydrophobicContact CB-CZ 4.1Å; V251-F256 HydrophobicContact CG1-CE2 3.85Å; V251-F256 HydrophobicContact CG1-CZ 4.18Å
252D81.7Confident87.2Confident83 Ų8339.7 Ų39.744%0.44421%0.208SC..  trans-50.7123.8178.6-174.5-20.3000109.8K254 A255D252-K254 PolarHBondContact O-N 3.47Å; D252-K254 WeakPolarHBondContact OD1-CB 3.1Å; D252-K254 WeakPolarHBondContact OD1-CG 3.21Å; D252-K254 PolarHBondContact OD1-N 3.2Å; D252-A255 VanDerWaalsContact O-CB 3.28Å; D252-A255 WeakPolarHBondContact O-CB 3.02Å; D252-A255 PolarHBondContact O-N 3.25Å
253P83.4Confident86.9Confident101 Ų10141.4 Ų41.466%0.65622%0.217SC*.Hα-helixtrans-49.1-29.7177.4-30.136000113.8V251 A255 F256 E257V251-P253 WeakPolarHBondContact O-CD 3.27Å; P253-A255 PolarHBondContact O-N 3.26Å; P253-F256 PolarHBondContact O-N 2.9Å; P253-E257 PolarHBondContact O-N 3.28Å
254K85Confident86.8Confident138 Ų13841.4 Ų41.460%0.622%0.217SC*.Hα-helixtrans-58.5-29.5175.4-68.8177.6-179.6174.60114D252 F256 E257D252-K254 PolarHBondContact O-N 3.47Å; D252-K254 WeakPolarHBondContact OD1-CB 3.1Å; D252-K254 WeakPolarHBondContact OD1-CG 3.21Å; D252-K254 PolarHBondContact OD1-N 3.2Å; K254-F256 PolarHBondContact O-N 3.48Å; K254-E257 PolarHBondContact O-N 2.97Å
255A86.7Confident86.9Confident4 Ų441.3 Ų41.33%0.03322%0.216CC..Hα-helixtrans-62-33.1176.700000111.6Q223 V251 D252 P253 S258Q223-A255 HydrophobicContact CB-CB 3.93Å; Q223-A255 HydrophobicContact CG-CB 3.89Å; V251-A255 HydrophobicContact CG1-CB 3.73Å; D252-A255 VanDerWaalsContact O-CB 3.28Å; D252-A255 WeakPolarHBondContact O-CB 3.02Å; D252-A255 PolarHBondContact O-N 3.25Å; P253-A255 PolarHBondContact O-N 3.26Å; A255-S258 PolarHBondContact O-OG 2.89Å
256F89.7Confident87Confident15 Ų1539.9 Ų39.97%0.06621%0.209CC..Hα-helixtrans-87.8-9.5-178.3-57.3-79.4000113.8I222 L226 V248 V251 P253 K254 S258 V259 I264 L392 F397I222-F256 HydrophobicContact CG2-CE1 4.27Å; I222-F256 HydrophobicContact CG2-CZ 4.3Å; L226-F256 HydrophobicContact CD1-CD1 3.5Å; L226-F256 VanDerWaalsContact CD1-CD1 3.5Å; L226-F256 HydrophobicContact CD1-CE1 3.7Å; L226-F256 HydrophobicContact CD1-CG 4.23Å; V248-F256 HydrophobicContact CG1-CZ 4.18Å; V251-F256 HydrophobicContact CB-CE2 3.83Å; V251-F256 HydrophobicContact CB-CZ 4.1Å; V251-F256 HydrophobicContact CG1-CE2 3.85Å; V251-F256 HydrophobicContact CG1-CZ 4.18Å; P253-F256 PolarHBondContact O-N 2.9Å; K254-F256 PolarHBondContact O-N 3.48Å; F256-S258 PolarHBondContact O-N 3.11Å; F256-S258 VanDerWaalsContact O-N 3.14Å; F256-V259 VanDerWaalsContact O-CB 3.23Å; F256-V259 WeakPolarHBondContact O-CB 3.25Å; F256-V259 WeakPolarHBondContact O-CG2 3.3Å; F256-V259 PolarHBondContact O-N 2.94Å; F256-I264 HydrophobicContact CD1-CG2 4.5Å; F256-I264 HydrophobicContact CE1-CG2 4.09Å; F256-L392 HydrophobicContact CB-CD1 4.44Å; F256-L392 HydrophobicContact CB-CD2 3.76Å; F256-L392 HydrophobicContact CD1-CD2 3.83Å; F256-L392 HydrophobicContact CG-CD1 4.37Å; F256-L392 HydrophobicContact CG-CD2 3.96Å; F256-F397 HydrophobicContact CE1-CZ 4.11Å; F256-F397 AromaticContact CE2-CE2 3.88Å; F256-F397 HydrophobicContact CE2-CE2 3.88Å; F256-F397 HydrophobicContact CE2-CZ 4.27Å; F256-F397 AromaticContact CZ-CE2 3.85Å; F256-F397 HydrophobicContact CZ-CE2 3.85Å; F256-F397 AromaticContact CZ-CZ 3.8Å; F256-F397 HydrophobicContact CZ-CZ 3.8Å
257E85.2Confident87.1Confident153 Ų15338.9 Ų38.972%0.71521%0.205SC*.THydrogen-bonded Turntrans-60.2-23.9173.2-70.1176.9-176.100112.5P253 K254 V259P253-E257 PolarHBondContact O-N 3.28Å; K254-E257 PolarHBondContact O-N 2.97Å; E257-V259 PolarHBondContact O-N 3.08Å
258S81.7Confident87.3Confident25 Ų2538.8 Ų38.818%0.17520%0.204CC..THydrogen-bonded Turntrans-70.9-10.3174.2670000114N230 T235 A255 F256 Q260N230-S258 PolarHBondContact OD1-O 2.98Å; T235-S258 PolarHBondContact OG1-O 3.45Å; A255-S258 PolarHBondContact O-OG 2.89Å; F256-S258 PolarHBondContact O-N 3.11Å; F256-S258 VanDerWaalsContact O-N 3.14Å; S258-Q260 PolarHBondContact O-N 3.01Å
259V85.1Confident87.2Confident26 Ų2638.9 Ų38.916%0.15821%0.205CC..  trans-81.1113.8-179-178.90000110.4L226 F256 E257 G261 A262 I264L226-V259 HydrophobicContact CD2-CG2 4.12Å; F256-V259 VanDerWaalsContact O-CB 3.23Å; F256-V259 WeakPolarHBondContact O-CB 3.25Å; F256-V259 WeakPolarHBondContact O-CG2 3.3Å; F256-V259 PolarHBondContact O-N 2.94Å; E257-V259 PolarHBondContact O-N 3.08Å; V259-G261 VanDerWaalsContact C-N 3.26Å; V259-G261 PolarHBondContact O-N 3.15Å; V259-A262 HydrophobicContact CG1-CB 3.82Å; V259-A262 WeakPolarHBondContact CG1-O 3.5Å; V259-I264 HydrophobicContact CG1-CG1 4.34Å; V259-I264 HydrophobicContact CG2-CD1 4.39Å; V259-I264 HydrophobicContact CG2-CG1 4.29Å
260Q80.4Confident87.3Confident105 Ų10537.6 Ų37.649%0.49120%0.199SC..BIsolated β-bridgetrans-93.436.6-177.6-59.2-174.89.400112.7T235 S258T235-Q260 CarbonylContact O-C 3.59Å; T235-Q260 VanDerWaalsContact O-C 3.24Å; T235-Q260 WeakPolarHBondContact O-CA 2.99Å; T235-Q260 PolarHBondContact O-N 3.06Å; S258-Q260 PolarHBondContact O-N 3.01Å
261G81.4Confident87.1Confident13 Ų1337.7 Ų37.713%0.13420%0.197CC..BIsolated β-bridgetrans109.12.7175.100000116.2T235 Q237 V259 K776T235-G261 PolarHBondContact O-N 2.8Å; Q237-G261 VanDerWaalsContact CA-O 3.29Å; Q237-G261 WeakPolarHBondContact CA-O 3.43Å; V259-G261 VanDerWaalsContact C-N 3.26Å; V259-G261 PolarHBondContact O-N 3.15Å; G261-K776 PolarHBondContact O-NZ 3.03Å
262A89.2Confident86.3Confident8 Ų837.8 Ų37.87%0.06620%0.199CC..  trans-60.6144.1171.400000111.5T235 S236 Y239 Y241 V259 I264T235-A262 WeakPolarHBondContact O-CB 3.43Å; T235-A262 PolarHBondContact O-N 3.24Å; T235-A262 VanDerWaalsContact O-N 3.17Å; S236-A262 WeakPolarHBondContact O-CA 3.46Å; S236-A262 WeakPolarHBondContact O-CB 3.19Å; S236-A262 PolarHBondContact O-N 3.45Å; Y239-A262 CarbonylContact O-C 3.32Å; Y239-A262 VanDerWaalsContact O-CA 3.24Å; Y239-A262 WeakPolarHBondContact O-CA 3.17Å; Y239-A262 VanDerWaalsContact O-CB 3.28Å; Y239-A262 WeakPolarHBondContact O-CB 3.09Å; Y241-A262 HydrophobicContact CD2-CB 4.23Å; Y241-A262 HydrophobicContact CE2-CB 4.1Å; V259-A262 HydrophobicContact CG1-CB 3.82Å; V259-A262 WeakPolarHBondContact CG1-O 3.5Å; A262-I264 PolarHBondContact O-N 3.28Å
263N90Very high85.4Confident36 Ų3636.9 Ų36.919%0.19319%0.193CC..EExtended strand (participates in β ladder)trans-79.3123.3177-70.23.9000109.3Y239 S240 Y241Y239-N263 PolarHBondContact O-N 3.14Å; S240-N263 CarbonylContact C-O 3.55Å; S240-N263 VanDerWaalsContact CA-O 3.31Å; S240-N263 WeakPolarHBondContact CA-O 3.39Å; Y241-N263 PolarHBondContact N-O 3.31Å
264I94.1Very high84.2Confident0 Ų037.4 Ų37.40%019%0.19CC..EExtended strand (participates in β ladder)trans-113.5117.4177.5-52-59.7000108.4Y241 F243 F256 V259 A262 E391 L392 F397Y241-I264 HydrophobicContact CD2-CD1 3.59Å; Y241-I264 HydrophobicContact CG-CD1 4.09Å; F243-I264 HydrophobicContact CD2-CG2 3.76Å; F243-I264 HydrophobicContact CE2-CD1 4.35Å; F243-I264 HydrophobicContact CE2-CG2 3.7Å; F256-I264 HydrophobicContact CD1-CG2 4.5Å; F256-I264 HydrophobicContact CE1-CG2 4.09Å; V259-I264 HydrophobicContact CG1-CG1 4.34Å; V259-I264 HydrophobicContact CG2-CD1 4.39Å; V259-I264 HydrophobicContact CG2-CG1 4.29Å; A262-I264 PolarHBondContact O-N 3.28Å; I264-E391 CarbonylContact O-C 3.57Å; I264-E391 WeakPolarHBondContact O-CA 3.41Å; I264-L392 HydrophobicContact CB-CB 3.78Å; I264-L392 HydrophobicContact CB-CD2 3.99Å; I264-L392 HydrophobicContact CG1-CB 4.49Å; I264-L392 HydrophobicContact CG1-CD2 3.83Å; I264-L392 HydrophobicContact CG2-CB 4.44Å; I264-L392 PolarHBondContact O-N 3.09Å; I264-F397 HydrophobicContact CG2-CE1 4.33Å; I264-F397 HydrophobicContact CG2-CZ 4.33Å
265T95.7Very high82.7Confident2 Ų237 Ų371%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-118.8147.7178.2-50.40000109.4Y151 Y241 V242 F243 I389 L390Y151-T265 HydrophobicContact CE1-CG2 3.92Å; Y151-T265 HydrophobicContact CE2-CG2 4.12Å; Y151-T265 PolarHBondContact OH-OG1 3.23Å; Y241-T265 PolarHBondContact O-N 3.11Å; V242-T265 CarbonylContact C-O 3.56Å; V242-T265 WeakPolarHBondContact CA-O 3.31Å; F243-T265 PolarHBondContact N-O 2.83Å; T265-I389 HydrophobicContact CG2-CG2 3.46Å; T265-I389 VanDerWaalsContact CG2-CG2 3.46Å; T265-L390 CarbonylContact C-O 3.43Å; T265-L390 VanDerWaalsContact CA-O 3.26Å; T265-L390 WeakPolarHBondContact CA-O 3.42Å; T265-L390 WeakPolarHBondContact CG2-O 3.36Å
266T95.4Very high80.8Confident0 Ų045.2 Ų45.20%023%0.233CC..EExtended strand (participates in β ladder)trans-144.1161.5172.3-169.50000111F243 D245 V248 L390 F397F243-T266 WeakPolarHBondContact O-CA 3.46Å; F243-T266 PolarHBondContact O-OG1 3.14Å; D245-T266 PolarHBondContact O-OG1 3.33Å; V248-T266 HydrophobicContact CB-CG2 3.99Å; V248-T266 WeakPolarHBondContact CB-OG1 3.47Å; V248-T266 HydrophobicContact CG1-CG2 4.06Å; V248-T266 WeakPolarHBondContact CG2-OG1 3.41Å; T266-L390 HydrophobicContact CG2-CB 3.89Å; T266-L390 HydrophobicContact CG2-CD1 4.41Å; T266-L390 PolarHBondContact N-O 3.4Å; T266-L390 PolarHBondContact O-N 3.35Å; T266-F397 HydrophobicContact CG2-CD1 4.09Å; T266-F397 HydrophobicContact CG2-CE1 3.85Å; T266-F397 HydrophobicContact CG2-CZ 4.45Å
267F94.5Very high78.8Confident0 Ų047.8 Ų47.80%025%0.253CS..EExtended strand (participates in β ladder)trans-104.3146.8170.4-69.1-103.9000109.7F144 A147 L148 Y151 V242 W246 I388 I389F144-F267 HydrophobicContact CE2-CB 3.78Å; F144-F267 HydrophobicContact CE2-CD1 4.31Å; F144-F267 HydrophobicContact CE2-CD2 4.14Å; F144-F267 AromaticContact CE2-CG 3.82Å; F144-F267 HydrophobicContact CE2-CG 3.82Å; A147-F267 HydrophobicContact CB-CE1 4.17Å; L148-F267 HydrophobicContact CD1-CE2 3.77Å; L148-F267 HydrophobicContact CD1-CZ 4.22Å; Y151-F267 HydrophobicContact CD1-CE2 4.5Å; Y151-F267 HydrophobicContact CD1-CZ 4.38Å; Y151-F267 HydrophobicContact CG-CZ 4.13Å; V242-F267 HydrophobicContact CG1-CD2 4.2Å; V242-F267 HydrophobicContact CG1-CE2 3.78Å; W246-F267 HydrophobicContact CE3-CB 4.2Å; W246-F267 HydrophobicContact CZ3-CB 3.8Å; F267-I388 CarbonylContact C-O 3.55Å; F267-I388 WeakPolarHBondContact CA-O 3.31Å; F267-I389 HydrophobicContact CD1-CD1 4.43Å; F267-I389 HydrophobicContact CD1-CG1 3.86Å; F267-I389 HydrophobicContact CE1-CD1 3.62Å; F267-I389 HydrophobicContact CE1-CG1 3.55Å; F267-I389 HydrophobicContact CZ-CD1 3.94Å; F267-I389 HydrophobicContact CZ-CG1 4.13Å
268T92.5Very high76.8Confident0 Ų043 Ų430%025%0.245CC..EExtended strand (participates in β ladder)trans-144155.3173-162.60000111W246 Q249 L270 I388 L390W246-T268 PolarHBondContact O-OG1 3.04Å; Q249-T268 PolarHBondContact NE2-OG1 3.28Å; T268-L270 WeakPolarHBondContact CG2-O 3.34Å; T268-L270 PolarHBondContact OG1-N 3Å; T268-I388 HydrophobicContact CG2-CB 3.97Å; T268-I388 HydrophobicContact CG2-CG2 4.47Å; T268-I388 PolarHBondContact N-O 3.13Å; T268-I388 PolarHBondContact O-N 3.29Å; T268-L390 HydrophobicContact CG2-CD1 3.62Å; T268-L390 HydrophobicContact CG2-CG 3.98Å
269I90.3Very high75.3Confident3 Ų352.5 Ų52.52%0.01528%0.279CS..SBendtrans-109.10.6167.860.9176.8000112.3P139 W246 T310 L314 T371 L387P139-I269 HydrophobicContact CG-CD1 4.19Å; P139-I269 HydrophobicContact CG-CG2 3.94Å; W246-I269 HydrophobicContact CD2-CG2 4.46Å; W246-I269 HydrophobicContact CE3-CG2 4.1Å; W246-I269 HydrophobicContact CH2-CG2 3.86Å; W246-I269 HydrophobicContact CZ2-CG2 4.28Å; W246-I269 HydrophobicContact CZ3-CG2 3.76Å; I269-T310 HydrophobicContact CD1-CG2 3.65Å; I269-T310 HydrophobicContact CG1-CG2 3.7Å; I269-L314 HydrophobicContact CD1-CD1 4.28Å; I269-L314 HydrophobicContact CD1-CD2 4Å; I269-L314 HydrophobicContact CD1-CG 4.28Å; I269-T371 HydrophobicContact CD1-CG2 3.94Å; I269-T371 HydrophobicContact CG1-CG2 4.13Å; I269-T371 CarbonylContact O-C 3.47Å; I269-T371 WeakPolarHBondContact O-CA 3.46Å; I269-L387 HydrophobicContact CG2-CD2 3.46Å; I269-L387 VanDerWaalsContact CG2-CD2 3.46Å
270L86.4Confident74.3Confident0 Ų052.7 Ų52.70%029%0.286CS..SBendtrans-94.7146.6173.6-61.9177.1000109.2T268 V281 P309 T310 A313 T371T268-L270 WeakPolarHBondContact CG2-O 3.34Å; T268-L270 PolarHBondContact OG1-N 3Å; L270-V281 HydrophobicContact CD1-CG1 4.47Å; L270-V281 HydrophobicContact CD2-CG1 4.32Å; L270-V281 HydrophobicContact CD2-CG2 4.41Å; L270-P309 HydrophobicContact CD1-CB 4.34Å; L270-T310 WeakPolarHBondContact CD1-OG1 3.28Å; L270-A313 HydrophobicContact CD2-CB 3.64Å; L270-T371 HydrophobicContact CD2-CG2 3.95Å
271H75.7Confident73.6Confident62 Ų6248.6 Ų48.629%0.28727%0.268SS..PPolyproline II helixtrans-65.9147.4173.3-70.166.3000110M273 R368H271-M273 PolarHBondContact O-N 3.43Å; H271-R368 PolarHBondContact NE2-NH2 3.34Å
272P67.9Low73Confident20 Ų2050.1 Ų50.113%0.1328%0.279CS..PPolyproline II helixtrans-59.8128.1179.9-1728.5000110.7N274 L390P272-N274 PolarHBondContact O-N 3.48Å; P272-N274 VanDerWaalsContact O-N 3.11Å; P272-L390 HydrophobicContact CG-CD2 4.12Å
273M63.8Low72.1Confident64 Ų6452.2 Ų52.232%0.31530%0.296SS..THydrogen-bonded Turntrans-68.4-9.4-176.3-69.7-74.4-172.200114.4L250 H271 E275 V281 A282 L285L250-M273 HydrophobicContact CD2-CE 4.32Å; L250-M273 HydrophobicContact CD2-CG 4.05Å; H271-M273 PolarHBondContact O-N 3.43Å; M273-E275 VanDerWaalsContact C-N 3.26Å; M273-E275 PolarHBondContact O-N 2.97Å; M273-V281 HydrophobicContact CE-CB 3.86Å; M273-V281 HydrophobicContact CE-CG1 3.63Å; M273-A282 HydrophobicContact SD-CB 4.02Å; M273-L285 HydrophobicContact CE-CD1 3.78Å
274N58.6Low71.3Confident111 Ų11151.3 Ų51.359%0.59429%0.291SS*.THydrogen-bonded Turntrans-72.9-16.7-178.3-73.8-8.6000113.4P272 F397P272-N274 PolarHBondContact O-N 3.48Å; P272-N274 VanDerWaalsContact O-N 3.11Å; N274-F397 PolarHBondContact ND2-O 3.01Å
275E53.4Low70.3Confident129 Ų12952.5 Ų52.560%0.60330%0.298SS*.SBendtrans-79132.3172.7-67.5-172.2161.500109.5M273 S277M273-E275 VanDerWaalsContact C-N 3.26Å; M273-E275 PolarHBondContact O-N 2.97Å; E275-S277 PolarHBondContact O-N 3.48Å; E275-S277 PolarHBondContact O-OG 3.21Å
276D45.9Very low69.3Low177 Ų17756 Ų5695%0.94732%0.316SS*.SBendtrans-54.920176.3-81.4-35.8000115.5G278D276-G278 PolarHBondContact O-N 3.16Å
277S47.7Very low68.5Low69 Ų6960 Ų6048%0.48334%0.335SS..  trans-66.260.4165.565.40000111.8E275 Y279E275-S277 PolarHBondContact O-N 3.48Å; E275-S277 PolarHBondContact O-OG 3.21Å; S277-Y279 PolarHBondContact O-N 3.02Å
278G44.3Very low67.7Low52 Ų5260 Ų6054%0.53634%0.335SS..  trans-60.5-1.7173.500000114.7D276D276-G278 PolarHBondContact O-N 3.16Å
279Y48.5Very low66.9Low226 Ų22666.5 Ų66.589%0.88636%0.359SS*.SBendtrans-111.3104.4175.9-66.3-81.4000109.8S277S277-Y279 PolarHBondContact O-N 3.02Å
280G64.1Low66.5Low30 Ų3069.2 Ų69.231%0.30938%0.376SS..SBendtrans150.8-122.8175.200000113.8A282 A283 L284G280-A282 PolarHBondContact O-N 3.02Å; G280-A283 PolarHBondContact O-N 3.24Å; G280-L284 PolarHBondContact O-N 3.31Å; G280-L284 VanDerWaalsContact O-N 3.14Å
281V66.9Low66.3Low19 Ų1971 Ų7112%0.11539%0.387CS..Hα-helixtrans-58.1-50.6-173.5-169.50000111.3L270 M273 A283 L284 L285 L370L270-V281 HydrophobicContact CD1-CG1 4.47Å; L270-V281 HydrophobicContact CD2-CG1 4.32Å; L270-V281 HydrophobicContact CD2-CG2 4.41Å; M273-V281 HydrophobicContact CE-CB 3.86Å; M273-V281 HydrophobicContact CE-CG1 3.63Å; V281-A283 VanDerWaalsContact C-N 3.3Å; V281-A283 PolarHBondContact O-N 3.43Å; V281-L284 PolarHBondContact O-N 3.33Å; V281-L284 VanDerWaalsContact O-N 3.16Å; V281-L285 HydrophobicContact CG1-CD1 3.7Å; V281-L285 HydrophobicContact CG1-CG 3.97Å; V281-L285 WeakPolarHBondContact O-CB 3.23Å; V281-L285 WeakPolarHBondContact O-CG 3.47Å; V281-L285 PolarHBondContact O-N 2.96Å; V281-L370 HydrophobicContact CG2-CB 3.92Å; V281-L370 HydrophobicContact CG2-CD1 4.33Å; V281-L370 HydrophobicContact CG2-CD2 3.88Å; V281-L370 HydrophobicContact CG2-CG 4.24Å
282A68Low66.4Low44 Ų4468.1 Ų68.136%0.36437%0.374SS..Hα-helixtrans-56.8-42.8-17800000112.6M273 G280 L285 D286M273-A282 HydrophobicContact SD-CB 4.02Å; G280-A282 PolarHBondContact O-N 3.02Å; A282-L285 PolarHBondContact O-N 3.23Å; A282-D286 WeakPolarHBondContact O-CB 3.37Å; A282-D286 PolarHBondContact O-N 3.14Å
283A70.6Confident67Low52 Ų5271.6 Ų71.643%0.4339%0.391SS..Hα-helixtrans-66.1-44.3177.900000112.1G280 V281 D286 E287G280-A283 PolarHBondContact O-N 3.24Å; V281-A283 VanDerWaalsContact C-N 3.3Å; V281-A283 PolarHBondContact O-N 3.43Å; A283-D286 PolarHBondContact O-N 3.34Å; A283-E287 WeakPolarHBondContact O-CB 3.37Å; A283-E287 PolarHBondContact O-N 3.36Å
284L73.2Confident67.8Low17 Ų1775.6 Ų75.69%0.08941%0.409CS..Hα-helixtrans-61.1-46.1175.7177.366.4000111G280 V281 E287 I288 Y316 L370G280-L284 PolarHBondContact O-N 3.31Å; G280-L284 VanDerWaalsContact O-N 3.14Å; V281-L284 PolarHBondContact O-N 3.33Å; V281-L284 VanDerWaalsContact O-N 3.16Å; L284-E287 PolarHBondContact O-N 2.79Å; L284-I288 HydrophobicContact CD1-CD1 3.96Å; L284-I288 HydrophobicContact CD1-CG1 4.35Å; L284-I288 HydrophobicContact CD2-CD1 4.43Å; L284-I288 HydrophobicContact CG-CD1 3.79Å; L284-I288 WeakPolarHBondContact O-CB 3.39Å; L284-I288 WeakPolarHBondContact O-CD1 3.39Å; L284-I288 VanDerWaalsContact O-CG1 3.22Å; L284-I288 WeakPolarHBondContact O-CG1 3.37Å; L284-I288 PolarHBondContact O-N 3.09Å; L284-Y316 HydrophobicContact CD1-CD2 4.33Å; L284-Y316 HydrophobicContact CD2-CD2 3.75Å; L284-Y316 HydrophobicContact CD2-CG 3.9Å; L284-L370 HydrophobicContact CD2-CD1 3.51Å
285L72.5Confident68.9Low26 Ų2672 Ų7214%0.13639%0.389CS..Hα-helixtrans-64.9-42.1179.8-66.2174.7000112.1M273 V281 A282 I288 R289 P309M273-L285 HydrophobicContact CE-CD1 3.78Å; V281-L285 HydrophobicContact CG1-CD1 3.7Å; V281-L285 HydrophobicContact CG1-CG 3.97Å; V281-L285 WeakPolarHBondContact O-CB 3.23Å; V281-L285 WeakPolarHBondContact O-CG 3.47Å; V281-L285 PolarHBondContact O-N 2.96Å; A282-L285 PolarHBondContact O-N 3.23Å; L285-I288 PolarHBondContact O-N 2.91Å; L285-R289 WeakPolarHBondContact O-CB 3.12Å; L285-R289 PolarHBondContact O-N 2.98Å; L285-P309 HydrophobicContact CD1-CB 3.49Å; L285-P309 VanDerWaalsContact CD1-CB 3.49Å; L285-P309 HydrophobicContact CD1-CG 3.92Å; L285-P309 VanDerWaalsContact CD2-CA 3.42Å; L285-P309 HydrophobicContact CD2-CB 3.4Å; L285-P309 VanDerWaalsContact CD2-CB 3.4Å; L285-P309 HydrophobicContact CD2-CG 3.84Å; L285-P309 HydrophobicContact CG-CB 4.03Å; L285-P309 HydrophobicContact CG-CG 4.46Å
286D76Confident70.2Confident74 Ų7473.9 Ų73.940%0.39640%0.396SS..Hα-helixtrans-68.1-38.7178.6-162.750.6000110.9A282 A283 I288 R289 V290A282-D286 WeakPolarHBondContact O-CB 3.37Å; A282-D286 PolarHBondContact O-N 3.14Å; A283-D286 PolarHBondContact O-N 3.34Å; D286-I288 PolarHBondContact O-N 3.2Å; D286-R289 PolarHBondContact O-N 3.13Å; D286-R289 IonicContact OD1-CZ 3.14Å; D286-R289 IonicContact OD1-NE 3.43Å; D286-R289 PolarHBondContact OD1-NE 3.18Å; D286-R289 VanDerWaalsContact OD1-NE 3.12Å; D286-R289 IonicContact OD1-NH2 2.84Å; D286-R289 PolarHBondContact OD1-NH2 3.02Å; D286-V290 WeakPolarHBondContact O-CB 3.36Å; D286-V290 VanDerWaalsContact O-CG2 3.22Å; D286-V290 WeakPolarHBondContact O-CG2 3.44Å; D286-V290 PolarHBondContact O-N 3.02Å
287E77.1Confident71.9Confident85 Ų8571.3 Ų71.340%0.39737%0.373SS..Hα-helixtrans-62.1-44.9173.5-171.3179.4177.800111.9K45 A283 L284 T291K45-E287 HydrophobicContact CD-CG 4.46Å; K45-E287 WeakPolarHBondContact CE-OE1 3.24Å; K45-E287 IonicContact NZ-OE1 2.85Å; K45-E287 PolarHBondContact NZ-OE1 3.49Å; A283-E287 WeakPolarHBondContact O-CB 3.37Å; A283-E287 PolarHBondContact O-N 3.36Å; L284-E287 PolarHBondContact O-N 2.79Å; E287-T291 VanDerWaalsContact O-CB 3.3Å; E287-T291 WeakPolarHBondContact O-CB 3.09Å; E287-T291 PolarHBondContact O-N 2.95Å; E287-T291 PolarHBondContact O-OG1 2.95Å
288I77.6Confident73.2Confident0 Ų068.8 Ų68.80%035%0.353CS..Hα-helixtrans-62.1-46.8175.5-69.8165000109.9C42 L284 L285 D286 T291 A292 I307C42-I288 HydrophobicContact CB-CD1 3.99Å; C42-I288 WeakPolarHBondContact SG-CD1 3.39Å; L284-I288 HydrophobicContact CD1-CD1 3.96Å; L284-I288 HydrophobicContact CD1-CG1 4.35Å; L284-I288 HydrophobicContact CD2-CD1 4.43Å; L284-I288 HydrophobicContact CG-CD1 3.79Å; L284-I288 WeakPolarHBondContact O-CB 3.39Å; L284-I288 WeakPolarHBondContact O-CD1 3.39Å; L284-I288 VanDerWaalsContact O-CG1 3.22Å; L284-I288 WeakPolarHBondContact O-CG1 3.37Å; L284-I288 PolarHBondContact O-N 3.09Å; L285-I288 PolarHBondContact O-N 2.91Å; D286-I288 PolarHBondContact O-N 3.2Å; I288-T291 PolarHBondContact O-N 3.22Å; I288-A292 WeakPolarHBondContact O-CB 3.24Å; I288-A292 PolarHBondContact O-N 3.48Å; I288-I307 HydrophobicContact CG2-CD1 4.21Å; I288-I307 HydrophobicContact CG2-CG2 4.23Å
289R77.3Confident74.6Confident136 Ų13669.8 Ų69.851%0.51335%0.349SS..Hα-helixtrans-61-48.1-179.4-173.1-178.273.8108.30.3111.3L285 D286 A292 L293L285-R289 WeakPolarHBondContact O-CB 3.12Å; L285-R289 PolarHBondContact O-N 2.98Å; D286-R289 PolarHBondContact O-N 3.13Å; D286-R289 IonicContact OD1-CZ 3.14Å; D286-R289 IonicContact OD1-NE 3.43Å; D286-R289 PolarHBondContact OD1-NE 3.18Å; D286-R289 VanDerWaalsContact OD1-NE 3.12Å; D286-R289 IonicContact OD1-NH2 2.84Å; D286-R289 PolarHBondContact OD1-NH2 3.02Å; R289-A292 PolarHBondContact O-N 3.38Å; R289-L293 HydrophobicContact CG-CD1 4.27Å; R289-L293 WeakPolarHBondContact O-CB 3.32Å; R289-L293 VanDerWaalsContact O-CG 3.26Å; R289-L293 WeakPolarHBondContact O-CG 3.41Å; R289-L293 PolarHBondContact O-N 2.91Å
290V80.9Confident75.7Confident60 Ų6069.6 Ų69.636%0.36435%0.346SS..Hα-helixtrans-62.5-45.3177.6170.20000110.8D286 A292 L293 Q294D286-V290 WeakPolarHBondContact O-CB 3.36Å; D286-V290 VanDerWaalsContact O-CG2 3.22Å; D286-V290 WeakPolarHBondContact O-CG2 3.44Å; D286-V290 PolarHBondContact O-N 3.02Å; V290-A292 PolarHBondContact O-N 2.84Å; V290-L293 PolarHBondContact O-N 2.98Å; V290-Q294 WeakPolarHBondContact O-CG 3.38Å; V290-Q294 PolarHBondContact O-N 2.92Å
291T82Confident75.7Confident39 Ų3969.6 Ų69.624%0.23934%0.342CS..Hα-helixtrans-64.1-41.5178.2-53.70000111.2I41 E287 I288 Q294 D295I41-T291 HydrophobicContact CD1-CG2 4.41Å; I41-T291 HydrophobicContact CG2-CG2 3.66Å; E287-T291 VanDerWaalsContact O-CB 3.3Å; E287-T291 WeakPolarHBondContact O-CB 3.09Å; E287-T291 PolarHBondContact O-N 2.95Å; E287-T291 PolarHBondContact O-OG1 2.95Å; I288-T291 PolarHBondContact O-N 3.22Å; T291-Q294 PolarHBondContact O-N 3.18Å; T291-D295 PolarHBondContact O-N 2.93Å
292A78.6Confident75.1Confident0 Ų074.5 Ų74.50%038%0.376CS..Hα-helixtrans-63.9-42.8177.200000111.8I41 I288 R289 V290 Q294 D295 F298 I307I41-A292 HydrophobicContact CD1-CB 3.99Å; I288-A292 WeakPolarHBondContact O-CB 3.24Å; I288-A292 PolarHBondContact O-N 3.48Å; R289-A292 PolarHBondContact O-N 3.38Å; V290-A292 PolarHBondContact O-N 2.84Å; A292-Q294 PolarHBondContact O-N 2.65Å; A292-D295 PolarHBondContact O-N 2.69Å; A292-F298 HydrophobicContact CB-CD1 3.82Å; A292-F298 HydrophobicContact CB-CD2 4.14Å; A292-F298 HydrophobicContact CB-CE1 3.88Å; A292-F298 HydrophobicContact CB-CE2 4.2Å; A292-F298 HydrophobicContact CB-CG 3.95Å; A292-F298 HydrophobicContact CB-CZ 4.06Å; A292-F298 VanDerWaalsContact O-CB 3.26Å; A292-F298 WeakPolarHBondContact O-CB 3.42Å; A292-F298 WeakPolarHBondContact O-CD1 3.33Å; A292-F298 WeakPolarHBondContact O-CG 3.13Å; A292-I307 HydrophobicContact CB-CD1 3.87Å
293L79.2Confident74.4Confident94 Ų9475.6 Ų75.649%0.49238%0.379SS..Hα-helixtrans-63.4-25.7176-72170.9000113.3R289 V290 T299R289-L293 HydrophobicContact CG-CD1 4.27Å; R289-L293 WeakPolarHBondContact O-CB 3.32Å; R289-L293 VanDerWaalsContact O-CG 3.26Å; R289-L293 WeakPolarHBondContact O-CG 3.41Å; R289-L293 PolarHBondContact O-N 2.91Å; V290-L293 PolarHBondContact O-N 2.98Å; L293-T299 VanDerWaalsContact O-CG2 3.27Å; L293-T299 WeakPolarHBondContact O-CG2 3.37Å
294Q82.4Confident73.4Confident148 Ų14875 Ų7569%0.69237%0.371SS*.Hα-helixtrans-80.6-19.9174.3-68.8176.3-1.100113.1V290 T291 A292 K296V290-Q294 WeakPolarHBondContact O-CG 3.38Å; V290-Q294 PolarHBondContact O-N 2.92Å; T291-Q294 PolarHBondContact O-N 3.18Å; A292-Q294 PolarHBondContact O-N 2.65Å; Q294-K296 PolarHBondContact O-N 2.74Å
295D80.9Confident72.4Confident34 Ų3484.9 Ų84.918%0.18241%0.407CS..  trans-78.7117.6177-164.1-40.1000110.5V37 I41 T291 A292 R297 F298 T299V37-D295 HydrophobicContact CG1-CB 4.34Å; I41-D295 HydrophobicContact CD1-CB 4.13Å; T291-D295 PolarHBondContact O-N 2.93Å; A292-D295 PolarHBondContact O-N 2.69Å; D295-R297 PolarHBondContact O-N 2.66Å; D295-R297 WeakPolarHBondContact OD1-CA 3.39Å; D295-R297 WeakPolarHBondContact OD1-CB 3.34Å; D295-R297 WeakPolarHBondContact OD1-CG 3.2Å; D295-R297 PolarHBondContact OD1-N 2.83Å; D295-R297 IonicContact OD1-NE 2.72Å; D295-R297 PolarHBondContact OD1-NE 2.83Å; D295-R297 IonicContact OD2-CZ 2.78Å; D295-R297 IonicContact OD2-NE 2.98Å; D295-R297 PolarHBondContact OD2-NE 3.12Å; D295-R297 IonicContact OD2-NH2 3.87Å; D295-R297 PolarHBondContact OD2-NH2 2.94Å; D295-F298 HydrophobicContact CB-CB 4.14Å; D295-F298 WeakPolarHBondContact O-CB 3.41Å; D295-F298 PolarHBondContact O-N 3.05Å; D295-F298 VanDerWaalsContact O-N 3.15Å; D295-T299 PolarHBondContact O-N 3.46Å; D295-T299 VanDerWaalsContact O-N 3.08Å; D295-T299 PolarHBondContact O-OG1 3.48Å
296K80.9Confident72.3Confident170 Ų17089.6 Ų89.674%0.73942%0.423SS*.Hα-helixtrans-61.9-26.3177.5-68.2-176-179.2178.90112.8Q294 T299 R300Q294-K296 PolarHBondContact O-N 2.74Å; K296-T299 WeakPolarHBondContact CA-OG1 3.5Å; K296-T299 PolarHBondContact O-OG1 3.41Å; K296-R300 WeakPolarHBondContact O-CB 3.45Å; K296-R300 WeakPolarHBondContact O-CD 3.24Å; K296-R300 WeakPolarHBondContact O-CG 3.35Å; K296-R300 PolarHBondContact O-N 3.08Å
297R80.7Confident72.2Confident123 Ų12387.6 Ų87.646%0.46441%0.413SS..Hα-helixtrans-69.8-43.2175.8-58.8176.1-68.91630.9110.4V37 E40 D295 S301V37-R297 HydrophobicContact CG1-CB 4.45Å; V37-R297 HydrophobicContact CG2-CB 3.88Å; E40-R297 IonicContact OE1-CZ 3.85Å; E40-R297 IonicContact OE1-NH1 2.69Å; E40-R297 IonicContact OE1-NH2 3.69Å; E40-R297 PolarHBondContact OE1-NH2 2.95Å; E40-R297 IonicContact OE2-CZ 2.77Å; E40-R297 IonicContact OE2-NH1 3.58Å; E40-R297 PolarHBondContact OE2-NH1 3.45Å; E40-R297 IonicContact OE2-NH2 3.77Å; E40-R297 PolarHBondContact OE2-NH2 3.12Å; D295-R297 PolarHBondContact O-N 2.66Å; D295-R297 WeakPolarHBondContact OD1-CA 3.39Å; D295-R297 WeakPolarHBondContact OD1-CB 3.34Å; D295-R297 WeakPolarHBondContact OD1-CG 3.2Å; D295-R297 PolarHBondContact OD1-N 2.83Å; D295-R297 IonicContact OD1-NE 2.72Å; D295-R297 PolarHBondContact OD1-NE 2.83Å; D295-R297 IonicContact OD2-CZ 2.78Å; D295-R297 IonicContact OD2-NE 2.98Å; D295-R297 PolarHBondContact OD2-NE 3.12Å; D295-R297 IonicContact OD2-NH2 3.87Å; D295-R297 PolarHBondContact OD2-NH2 2.94Å; R297-S301 PolarHBondContact O-N 3.14Å
298F75.7Confident72.5Confident16 Ų1685.1 Ų85.17%0.0741%0.405CS..Hα-helixtrans-63.3-55.4177.3-176.7-100.8000110.4V37 A38 A292 D295 R300 S301 S304 I307V37-F298 HydrophobicContact CB-CB 4.27Å; V37-F298 HydrophobicContact CB-CD2 4.33Å; V37-F298 HydrophobicContact CG1-CB 3.99Å; A38-F298 HydrophobicContact CB-CE2 4.05Å; A292-F298 HydrophobicContact CB-CD1 3.82Å; A292-F298 HydrophobicContact CB-CD2 4.14Å; A292-F298 HydrophobicContact CB-CE1 3.88Å; A292-F298 HydrophobicContact CB-CE2 4.2Å; A292-F298 HydrophobicContact CB-CG 3.95Å; A292-F298 HydrophobicContact CB-CZ 4.06Å; A292-F298 VanDerWaalsContact O-CB 3.26Å; A292-F298 WeakPolarHBondContact O-CB 3.42Å; A292-F298 WeakPolarHBondContact O-CD1 3.33Å; A292-F298 WeakPolarHBondContact O-CG 3.13Å; D295-F298 HydrophobicContact CB-CB 4.14Å; D295-F298 WeakPolarHBondContact O-CB 3.41Å; D295-F298 PolarHBondContact O-N 3.05Å; D295-F298 VanDerWaalsContact O-N 3.15Å; F298-R300 PolarHBondContact O-N 2.82Å; F298-R300 VanDerWaalsContact O-N 3.14Å; F298-S301 WeakPolarHBondContact O-CB 3.4Å; F298-S301 PolarHBondContact O-N 3.38Å; F298-S304 WeakPolarHBondContact CE1-O 3.49Å; F298-S304 WeakPolarHBondContact CZ-O 3.41Å; F298-S304 VanDerWaalsContact O-CB 3.29Å; F298-S304 WeakPolarHBondContact O-CB 3.21Å; F298-I307 HydrophobicContact CE2-CD1 4.17Å; F298-I307 HydrophobicContact CE2-CG1 4.06Å; F298-I307 HydrophobicContact CZ-CD1 3.81Å; F298-I307 HydrophobicContact CZ-CG1 3.88Å
299T72.7Confident72.8Confident72 Ų7285.9 Ų85.944%0.44241%0.409SS..Hα-helixtrans-61.4-24.3-177.950.60000115L293 D295 K296L293-T299 VanDerWaalsContact O-CG2 3.27Å; L293-T299 WeakPolarHBondContact O-CG2 3.37Å; D295-T299 PolarHBondContact O-N 3.46Å; D295-T299 VanDerWaalsContact O-N 3.08Å; D295-T299 PolarHBondContact O-OG1 3.48Å; K296-T299 WeakPolarHBondContact CA-OG1 3.5Å; K296-T299 PolarHBondContact O-OG1 3.41Å
300R71.9Confident73.3Confident223 Ų22379.5 Ų79.584%0.84239%0.386SS*.Hα-helixtrans-81.9-23174.7-73.2175.680.8169.56.6113.6K296 F298K296-R300 WeakPolarHBondContact O-CB 3.45Å; K296-R300 WeakPolarHBondContact O-CD 3.24Å; K296-R300 WeakPolarHBondContact O-CG 3.35Å; K296-R300 PolarHBondContact O-N 3.08Å; F298-R300 PolarHBondContact O-N 2.82Å; F298-R300 VanDerWaalsContact O-N 3.14Å
301S65.5Low73.7Confident30 Ų3078.8 Ų78.821%0.2138%0.378CS..SBendtrans-73.1131.2179-173.20000110.3R297 F298 T303 S304R297-S301 PolarHBondContact O-N 3.14Å; F298-S301 WeakPolarHBondContact O-CB 3.4Å; F298-S301 PolarHBondContact O-N 3.38Å; S301-T303 PolarHBondContact O-N 2.94Å; S301-T303 VanDerWaalsContact O-N 3.13Å; S301-T303 PolarHBondContact OG-N 3.28Å; S301-T303 PolarHBondContact OG-OG1 3.04Å; S301-S304 WeakPolarHBondContact O-CB 3.47Å; S301-S304 PolarHBondContact O-N 2.92Å; S301-S304 VanDerWaalsContact O-N 3.14Å; S301-S304 PolarHBondContact O-OG 3.17Å
302S54Low73.9Confident121 Ų12177.2 Ų77.285%0.84637%0.369SS*.THydrogen-bonded Turntrans-62.3-15.9172.355.80000112.9S304S302-S304 VanDerWaalsContact C-N 3.35Å
303T53Low74.4Confident67 Ų6777.3 Ų77.341%0.41137%0.37SS..THydrogen-bonded Turntrans-85.52.2176.357.30000114.5S301 R305 R306S301-T303 PolarHBondContact O-N 2.94Å; S301-T303 VanDerWaalsContact O-N 3.13Å; S301-T303 PolarHBondContact OG-N 3.28Å; S301-T303 PolarHBondContact OG-OG1 3.04Å; T303-R305 PolarHBondContact O-N 2.98Å; T303-R306 PolarHBondContact O-N 3.31Å
304S48.9Very low75Confident39 Ų3972.9 Ų72.927%0.27335%0.347SS..THydrogen-bonded Turntrans-57.61.1-176.237.60000116.9F298 S301 S302F298-S304 WeakPolarHBondContact CE1-O 3.49Å; F298-S304 WeakPolarHBondContact CZ-O 3.41Å; F298-S304 VanDerWaalsContact O-CB 3.29Å; F298-S304 WeakPolarHBondContact O-CB 3.21Å; S301-S304 WeakPolarHBondContact O-CB 3.47Å; S301-S304 PolarHBondContact O-N 2.92Å; S301-S304 VanDerWaalsContact O-N 3.14Å; S301-S304 PolarHBondContact O-OG 3.17Å; S302-S304 VanDerWaalsContact C-N 3.35Å
305R53.5Low75.5Confident225 Ų22566 Ų6685%0.84931%0.314SS*.THydrogen-bonded Turntrans-93.6-0.4175.3-63.3-172-162.8173.95.6115.2T303T303-R305 PolarHBondContact O-N 2.98Å
306R68.6Low75.9Confident125 Ų12566.8 Ų66.847%0.47232%0.315SS..  trans-122.149.1-158.9-55.7-179.2-175.3-176.7-0.7114.3W220 T303 S308W220-R306 HydrophobicContact CD2-CG 3.93Å; W220-R306 HydrophobicContact CE3-CB 4.1Å; W220-R306 HydrophobicContact CE3-CG 4Å; W220-R306 HydrophobicContact CG-CG 4.21Å; W220-R306 HydrophobicContact CZ3-CB 4.29Å; T303-R306 PolarHBondContact O-N 3.31Å; R306-S308 PolarHBondContact O-N 2.57Å
307I75.2Confident76.5Confident33 Ų3358.7 Ų58.717%0.16928%0.28CS..  trans-77.9114.2168.1-52.1-174.6000106.8A38 I288 A292 F298 P309A38-I307 HydrophobicContact CB-CD1 4.21Å; A38-I307 HydrophobicContact CB-CG1 3.78Å; A38-I307 HydrophobicContact CB-CG2 4.48Å; I288-I307 HydrophobicContact CG2-CD1 4.21Å; I288-I307 HydrophobicContact CG2-CG2 4.23Å; A292-I307 HydrophobicContact CB-CD1 3.87Å; F298-I307 HydrophobicContact CE2-CD1 4.17Å; F298-I307 HydrophobicContact CE2-CG1 4.06Å; F298-I307 HydrophobicContact CZ-CD1 3.81Å; F298-I307 HydrophobicContact CZ-CG1 3.88Å; I307-P309 WeakPolarHBondContact O-CD 3.32Å
308S83.8Confident77.1Confident33 Ų3353.1 Ų53.123%0.23126%0.26CS..  trans-80.2117.5171.2166.70000109.7D247 R306 H311 S312D247-S308 WeakPolarHBondContact OD2-CA 3.42Å; D247-S308 VanDerWaalsContact OD2-CB 3.25Å; D247-S308 WeakPolarHBondContact OD2-CB 3.34Å; D247-S308 PolarHBondContact OD2-OG 2.92Å; R306-S308 PolarHBondContact O-N 2.57Å; S308-H311 PolarHBondContact O-N 3.01Å; S308-H311 VanDerWaalsContact OG-CB 3.29Å; S308-H311 WeakPolarHBondContact OG-CB 3.34Å; S308-H311 PolarHBondContact OG-N 3.34Å; S308-S312 PolarHBondContact O-N 2.92Å; S308-S312 VanDerWaalsContact O-N 3.12Å; S308-S312 PolarHBondContact O-OG 3.12Å
309P83.1Confident78Confident15 Ų1552.4 Ų52.410%0.09726%0.257CS..Hα-helixtrans-67.1-41177.8-37.151.2000114.4D247 L250 L270 L285 I307 H311 S312 A313D247-P309 WeakPolarHBondContact OD2-CD 3.49Å; L250-P309 HydrophobicContact CD1-CB 3.42Å; L250-P309 VanDerWaalsContact CD1-CB 3.42Å; L250-P309 HydrophobicContact CD1-CG 3.31Å; L270-P309 HydrophobicContact CD1-CB 4.34Å; L285-P309 HydrophobicContact CD1-CB 3.49Å; L285-P309 VanDerWaalsContact CD1-CB 3.49Å; L285-P309 HydrophobicContact CD1-CG 3.92Å; L285-P309 VanDerWaalsContact CD2-CA 3.42Å; L285-P309 HydrophobicContact CD2-CB 3.4Å; L285-P309 VanDerWaalsContact CD2-CB 3.4Å; L285-P309 HydrophobicContact CD2-CG 3.84Å; L285-P309 HydrophobicContact CG-CB 4.03Å; L285-P309 HydrophobicContact CG-CG 4.46Å; I307-P309 WeakPolarHBondContact O-CD 3.32Å; P309-H311 VanDerWaalsContact C-N 3.28Å; P309-H311 PolarHBondContact O-N 2.85Å; P309-S312 WeakPolarHBondContact O-CB 3.45Å; P309-S312 PolarHBondContact O-N 2.88Å; P309-A313 WeakPolarHBondContact O-CB 3.31Å; P309-A313 PolarHBondContact O-N 3.22Å
310T88.6Confident78.9Confident3 Ų349 Ų492%0.01824%0.236CC..Hα-helixtrans-59.4-43.6175.4-630000110.9W246 D247 I269 L270 S312 A313 L314W246-T310 HydrophobicContact CB-CG2 3.76Å; W246-T310 WeakPolarHBondContact CB-OG1 3.45Å; W246-T310 HydrophobicContact CG-CG2 3.97Å; D247-T310 WeakPolarHBondContact OD1-CB 3.09Å; D247-T310 PolarHBondContact OD1-N 2.74Å; D247-T310 PolarHBondContact OD1-OG1 3.23Å; I269-T310 HydrophobicContact CD1-CG2 3.65Å; I269-T310 HydrophobicContact CG1-CG2 3.7Å; L270-T310 WeakPolarHBondContact CD1-OG1 3.28Å; T310-S312 VanDerWaalsContact C-N 3.3Å; T310-S312 PolarHBondContact O-N 3.16Å; T310-A313 PolarHBondContact O-N 3.36Å; T310-L314 HydrophobicContact CG2-CD1 4.14Å; T310-L314 HydrophobicContact CG2-CG 4.48Å; T310-L314 WeakPolarHBondContact O-CG 3.49Å; T310-L314 PolarHBondContact O-N 3.43Å
311H87.9Confident80Confident44 Ų4438.5 Ų38.520%0.20420%0.197CC..Hα-helixtrans-62.6-39.2178-159.876.6000112.6Q39 I122 S308 P309 L315Q39-H311 PolarHBondContact NE2-CD2 3.37Å; Q39-H311 PolarHBondContact NE2-NE2 2.91Å; I122-H311 WeakPolarHBondContact CD1-CE1 3.27Å; I122-H311 WeakPolarHBondContact CD1-ND1 3.26Å; I122-H311 VanDerWaalsContact CD1-NE2 3.34Å; I122-H311 WeakPolarHBondContact CD1-NE2 3.32Å; S308-H311 PolarHBondContact O-N 3.01Å; S308-H311 VanDerWaalsContact OG-CB 3.29Å; S308-H311 WeakPolarHBondContact OG-CB 3.34Å; S308-H311 PolarHBondContact OG-N 3.34Å; P309-H311 VanDerWaalsContact C-N 3.28Å; P309-H311 PolarHBondContact O-N 2.85Å; H311-L315 WeakPolarHBondContact O-CB 3.45Å; H311-L315 PolarHBondContact O-N 2.99Å; H311-L315 VanDerWaalsContact O-N 3.11Å
312S87.3Confident81.3Confident7 Ų737.1 Ų37.15%0.04919%0.187CC..Hα-helixtrans-67.4-41.1176.5-56.80000111.9C42 S308 P309 T310 L315 Y316C42-S312 VanDerWaalsContact SG-CB 3.54Å; S308-S312 PolarHBondContact O-N 2.92Å; S308-S312 VanDerWaalsContact O-N 3.12Å; S308-S312 PolarHBondContact O-OG 3.12Å; P309-S312 WeakPolarHBondContact O-CB 3.45Å; P309-S312 PolarHBondContact O-N 2.88Å; T310-S312 VanDerWaalsContact C-N 3.3Å; T310-S312 PolarHBondContact O-N 3.16Å; S312-L315 PolarHBondContact O-N 3.49Å; S312-Y316 WeakPolarHBondContact O-CB 3.37Å; S312-Y316 PolarHBondContact O-N 3.27Å
313A89.3Confident83.2Confident2 Ų231.3 Ų31.32%0.01715%0.147CC..Hα-helixtrans-65.3-42.4176.400000112.4L270 P309 T310 L315 Y316 D317 L370 T371L270-A313 HydrophobicContact CD2-CB 3.64Å; P309-A313 WeakPolarHBondContact O-CB 3.31Å; P309-A313 PolarHBondContact O-N 3.22Å; T310-A313 PolarHBondContact O-N 3.36Å; A313-L315 VanDerWaalsContact C-N 3.34Å; A313-L315 PolarHBondContact O-N 3.31Å; A313-Y316 WeakPolarHBondContact O-CB 3.4Å; A313-Y316 PolarHBondContact O-N 3.28Å; A313-D317 WeakPolarHBondContact O-CB 3.47Å; A313-D317 PolarHBondContact O-N 2.61Å; A313-L370 HydrophobicContact CB-CB 3.91Å; A313-L370 HydrophobicContact CB-CD1 4.26Å; A313-T371 HydrophobicContact CB-CG2 3.81Å
314L91.9Very high85Confident1 Ų129.4 Ų29.41%0.00513%0.134CC..Hα-helixtrans-62.9-40.6175-73.2169.9000112.1I122 V137 H138 I269 T310 D317 G318 T371I122-L314 HydrophobicContact CB-CB 4.21Å; I122-L314 HydrophobicContact CD1-CB 4.34Å; I122-L314 HydrophobicContact CG2-CB 4.01Å; V137-L314 HydrophobicContact CG2-CB 4.41Å; V137-L314 HydrophobicContact CG2-CD2 4.34Å; V137-L314 WeakPolarHBondContact O-CD2 3.41Å; H138-L314 HydrophobicContact CB-CD1 4.16Å; H138-L314 WeakPolarHBondContact CD2-CD1 3.4Å; I269-L314 HydrophobicContact CD1-CD1 4.28Å; I269-L314 HydrophobicContact CD1-CD2 4Å; I269-L314 HydrophobicContact CD1-CG 4.28Å; T310-L314 HydrophobicContact CG2-CD1 4.14Å; T310-L314 HydrophobicContact CG2-CG 4.48Å; T310-L314 WeakPolarHBondContact O-CG 3.49Å; T310-L314 PolarHBondContact O-N 3.43Å; L314-D317 PolarHBondContact O-N 3.25Å; L314-G318 PolarHBondContact O-N 2.77Å; L314-T371 HydrophobicContact CD2-CG2 3.82Å; L314-T371 HydrophobicContact CG-CG2 4.01Å
315L91.3Very high87Confident2 Ų227.5 Ų27.51%0.0112%0.121CC..Hα-helixtrans-64.5-43.4175.4169.357.3000111.8C42 F43 Y97 I122 H311 S312 A313 L319C42-L315 HydrophobicContact CB-CD2 3.96Å; F43-L315 HydrophobicContact CB-CD2 4.07Å; F43-L315 HydrophobicContact CD2-CD1 3.81Å; Y97-L315 HydrophobicContact CD1-CD1 4.03Å; Y97-L315 HydrophobicContact CD2-CD1 3.6Å; Y97-L315 HydrophobicContact CE1-CD1 3.81Å; Y97-L315 HydrophobicContact CE1-CD2 4.37Å; Y97-L315 HydrophobicContact CE2-CB 4.31Å; Y97-L315 HydrophobicContact CE2-CD1 3.33Å; Y97-L315 HydrophobicContact CE2-CG 4.3Å; Y97-L315 HydrophobicContact CG-CD1 3.93Å; Y97-L315 VanDerWaalsContact CZ-CD1 3.44Å; I122-L315 HydrophobicContact CD1-CB 4.39Å; H311-L315 WeakPolarHBondContact O-CB 3.45Å; H311-L315 PolarHBondContact O-N 2.99Å; H311-L315 VanDerWaalsContact O-N 3.11Å; S312-L315 PolarHBondContact O-N 3.49Å; A313-L315 VanDerWaalsContact C-N 3.34Å; A313-L315 PolarHBondContact O-N 3.31Å; L315-L319 HydrophobicContact CD1-CD1 3.79Å; L315-L319 HydrophobicContact CD1-CG 4.17Å; L315-L319 HydrophobicContact CG-CD1 4.48Å; L315-L319 PolarHBondContact O-N 3.01Å
316Y91Very high88.8Confident52 Ų5216.8 Ų16.820%0.2048%0.08CC..Hα-helixtrans-57.7-47.5172.3174.3-83.2000112.1S46 A49 L284 S312 A313 L319 S320 L370S46-Y316 WeakPolarHBondContact OG-CA 3.36Å; A49-Y316 HydrophobicContact CB-CD2 4.06Å; A49-Y316 HydrophobicContact CB-CE2 3.42Å; A49-Y316 VanDerWaalsContact CB-CE2 3.42Å; L284-Y316 HydrophobicContact CD1-CD2 4.33Å; L284-Y316 HydrophobicContact CD2-CD2 3.75Å; L284-Y316 HydrophobicContact CD2-CG 3.9Å; S312-Y316 WeakPolarHBondContact O-CB 3.37Å; S312-Y316 PolarHBondContact O-N 3.27Å; A313-Y316 WeakPolarHBondContact O-CB 3.4Å; A313-Y316 PolarHBondContact O-N 3.28Å; Y316-L319 PolarHBondContact O-N 2.83Å; Y316-S320 WeakPolarHBondContact CE1-OG 3.43Å; Y316-S320 VanDerWaalsContact O-CB 3.32Å; Y316-S320 WeakPolarHBondContact O-CB 3.15Å; Y316-S320 PolarHBondContact O-N 2.9Å; Y316-S320 PolarHBondContact O-OG 3.49Å; Y316-L370 HydrophobicContact CD1-CD1 3.58Å; Y316-L370 HydrophobicContact CD1-CG 3.67Å; Y316-L370 HydrophobicContact CD2-CD1 4.46Å; Y316-L370 HydrophobicContact CE1-CD1 4.05Å; Y316-L370 HydrophobicContact CE1-CD2 4.46Å; Y316-L370 HydrophobicContact CE1-CG 3.87Å; Y316-L370 HydrophobicContact CG-CD1 3.83Å; Y316-L370 HydrophobicContact CG-CG 4.43Å
317D91.8Very high89.7Confident0 Ų011.4 Ų11.40%06%0.061CC..Hα-helixtrans-64.2-44.5-178.4-74-14.4000111.6A313 L314 L319 S320 L321 G369 L370 T371 F374A313-D317 WeakPolarHBondContact O-CB 3.47Å; A313-D317 PolarHBondContact O-N 2.61Å; L314-D317 PolarHBondContact O-N 3.25Å; D317-L319 PolarHBondContact O-N 2.77Å; D317-S320 PolarHBondContact O-N 3.07Å; D317-L321 WeakPolarHBondContact O-CB 3.16Å; D317-L321 VanDerWaalsContact O-CG 3.31Å; D317-L321 WeakPolarHBondContact O-CG 3.31Å; D317-L321 PolarHBondContact O-N 2.93Å; D317-G369 WeakPolarHBondContact OD1-CA 3.48Å; D317-L370 PolarHBondContact OD1-N 2.9Å; D317-L370 PolarHBondContact OD2-N 3.46Å; D317-T371 WeakPolarHBondContact OD2-CB 3.15Å; D317-T371 WeakPolarHBondContact OD2-CG2 2.9Å; D317-T371 PolarHBondContact OD2-N 3.25Å; D317-T371 PolarHBondContact OD2-OG1 2.89Å; D317-F374 HydrophobicContact CB-CE2 3.69Å; D317-F374 HydrophobicContact CB-CZ 3.46Å; D317-F374 VanDerWaalsContact CB-CZ 3.46Å; D317-F374 WeakPolarHBondContact OD2-CZ 3.4Å
318G93.5Very high90.3Very high5 Ų511.9 Ų11.95%0.0527%0.067CC..Hα-helixtrans-61-41.9178.500000113.3L314 L322L314-G318 PolarHBondContact O-N 2.77Å; G318-L322 PolarHBondContact O-N 3.15Å
319L94.7Very high90.5Very high1 Ų110.3 Ų10.31%0.0056%0.056CC..Hα-helixtrans-74.7-32.5177.5-70.3175.2000113.1I28 F43 S46 I47 A50 L120 L315 Y316 D317 L322 A323I28-L319 HydrophobicContact CD1-CD2 4.27Å; I28-L319 HydrophobicContact CG2-CD2 4.15Å; F43-L319 HydrophobicContact CD2-CD1 3.88Å; F43-L319 HydrophobicContact CE2-CD1 3.88Å; F43-L319 HydrophobicContact CE2-CD2 4.1Å; S46-L319 VanDerWaalsContact CB-CD1 3.49Å; I47-L319 HydrophobicContact CD1-CD1 3.77Å; I47-L319 HydrophobicContact CD1-CD2 3.72Å; I47-L319 HydrophobicContact CD1-CG 4.27Å; I47-L319 HydrophobicContact CG1-CD1 3.79Å; A50-L319 HydrophobicContact CB-CB 4.44Å; L120-L319 HydrophobicContact CD1-CD2 4.13Å; L315-L319 HydrophobicContact CD1-CD1 3.79Å; L315-L319 HydrophobicContact CD1-CG 4.17Å; L315-L319 HydrophobicContact CG-CD1 4.48Å; L315-L319 PolarHBondContact O-N 3.01Å; Y316-L319 PolarHBondContact O-N 2.83Å; D317-L319 PolarHBondContact O-N 2.77Å; L319-L322 HydrophobicContact CD2-CD2 4.38Å; L319-L322 PolarHBondContact O-N 2.93Å; L319-A323 PolarHBondContact O-N 2.72Å
320S93.2Very high90.4Very high0 Ų010.1 Ų10.10%06%0.055CC..Hα-helixtrans-69.2-39.6173.8-59.70000111.5Y316 D317 A323 M324Y316-S320 WeakPolarHBondContact CE1-OG 3.43Å; Y316-S320 VanDerWaalsContact O-CB 3.32Å; Y316-S320 WeakPolarHBondContact O-CB 3.15Å; Y316-S320 PolarHBondContact O-N 2.9Å; Y316-S320 PolarHBondContact O-OG 3.49Å; D317-S320 PolarHBondContact O-N 3.07Å; S320-A323 WeakPolarHBondContact O-CB 3.27Å; S320-A323 PolarHBondContact O-N 3.35Å; S320-M324 WeakPolarHBondContact O-CG 3.38Å; S320-M324 PolarHBondContact O-N 2.82Å
321L93.2Very high90.1Very high4 Ų419.8 Ų19.82%0.0219%0.091CC..Hα-helixtrans-62.5-41.4171.5-78.9170.3000111.9V137 D317 M324 G325 I359 V362 F367 F374 F376V137-L321 HydrophobicContact CG1-CD1 3.8Å; D317-L321 WeakPolarHBondContact O-CB 3.16Å; D317-L321 VanDerWaalsContact O-CG 3.31Å; D317-L321 WeakPolarHBondContact O-CG 3.31Å; D317-L321 PolarHBondContact O-N 2.93Å; L321-M324 PolarHBondContact O-N 3.31Å; L321-G325 PolarHBondContact O-N 3.34Å; L321-I359 HydrophobicContact CB-CG2 4.18Å; L321-V362 HydrophobicContact CD2-CB 4.39Å; L321-V362 HydrophobicContact CD2-CG1 4.21Å; L321-F367 HydrophobicContact CD2-CD1 3.55Å; L321-F367 HydrophobicContact CD2-CE1 3.95Å; L321-F367 HydrophobicContact CG-CD1 3.97Å; L321-F367 HydrophobicContact CG-CE1 3.82Å; L321-F374 HydrophobicContact CD1-CB 4.16Å; L321-F374 HydrophobicContact CD1-CD1 3.95Å; L321-F374 HydrophobicContact CD1-CD2 3.81Å; L321-F374 HydrophobicContact CD1-CE1 4.31Å; L321-F374 HydrophobicContact CD1-CE2 4.16Å; L321-F374 HydrophobicContact CD1-CG 3.69Å; L321-F374 HydrophobicContact CD1-CZ 4.39Å; L321-F374 HydrophobicContact CD2-CB 4.44Å; L321-F374 HydrophobicContact CD2-CD2 4.4Å; L321-F374 HydrophobicContact CG-CD2 4.38Å; L321-F376 HydrophobicContact CD1-CE2 4.24Å; L321-F376 HydrophobicContact CD1-CZ 3.96Å
322L94.3Very high89.5Confident0 Ų021.7 Ų21.70%011%0.109CC..Hα-helixtrans-60.2-44.9173.6176.162.5000111.5I28 A95 L120 G318 L319 M324 G325 V326 L355 I359I28-L322 HydrophobicContact CD1-CD2 3.39Å; I28-L322 HydrophobicContact CD1-CG 4.46Å; I28-L322 HydrophobicContact CG1-CD2 4.01Å; I28-L322 HydrophobicContact CG2-CD2 4.46Å; A95-L322 HydrophobicContact CB-CD1 4.22Å; A95-L322 HydrophobicContact CB-CD2 3.66Å; L120-L322 HydrophobicContact CD1-CB 4.13Å; L120-L322 HydrophobicContact CD1-CD2 3.94Å; G318-L322 PolarHBondContact O-N 3.15Å; L319-L322 HydrophobicContact CD2-CD2 4.38Å; L319-L322 PolarHBondContact O-N 2.93Å; L322-M324 PolarHBondContact O-N 3.05Å; L322-G325 PolarHBondContact O-N 3.34Å; L322-V326 WeakPolarHBondContact O-CG2 3.48Å; L322-V326 PolarHBondContact O-N 3.01Å; L322-L355 HydrophobicContact CD1-CD1 4.42Å; L322-L355 HydrophobicContact CD1-CD2 4.15Å; L322-L355 HydrophobicContact CD1-CG 4.47Å; L322-I359 HydrophobicContact CD1-CD1 3.62Å
323A92.9Very high88.8Confident0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-59.1-45.9174.700000112.1A50 L53 L54 L66 L319 S320 G325 V326 L327A50-A323 HydrophobicContact CB-CB 4.06Å; L53-A323 HydrophobicContact CD2-CB 4.26Å; L54-A323 HydrophobicContact CD1-CB 4.48Å; L54-A323 HydrophobicContact CD2-CB 3.92Å; L54-A323 WeakPolarHBondContact CD2-O 3.19Å; L54-A323 HydrophobicContact CG-CB 3.9Å; L66-A323 HydrophobicContact CD1-CB 4.29Å; L319-A323 PolarHBondContact O-N 2.72Å; S320-A323 WeakPolarHBondContact O-CB 3.27Å; S320-A323 PolarHBondContact O-N 3.35Å; A323-G325 VanDerWaalsContact C-N 3.31Å; A323-G325 PolarHBondContact O-N 2.97Å; A323-V326 PolarHBondContact O-N 2.88Å; A323-L327 WeakPolarHBondContact O-CD1 3.29Å; A323-L327 PolarHBondContact O-N 3.21Å
324M91Very high88Confident26 Ų2630 Ų3013%0.12816%0.155CC..Hα-helixtrans-61.3-38175.1-73.1-61.1-70.100112.7L53 S320 L321 L322 L327 S328 V362 F367L53-M324 HydrophobicContact CD2-CG 4.02Å; L53-M324 HydrophobicContact CD2-SD 3.56Å; L53-M324 VanDerWaalsContact CD2-SD 3.56Å; S320-M324 WeakPolarHBondContact O-CG 3.38Å; S320-M324 PolarHBondContact O-N 2.82Å; L321-M324 PolarHBondContact O-N 3.31Å; L322-M324 PolarHBondContact O-N 3.05Å; M324-L327 WeakPolarHBondContact O-CB 3.39Å; M324-L327 PolarHBondContact O-N 3.03Å; M324-L327 HydrophobicContact SD-CD1 3.95Å; M324-S328 WeakPolarHBondContact O-CB 3.12Å; M324-S328 PolarHBondContact O-N 3.21Å; M324-V362 HydrophobicContact CB-CG1 4.32Å; M324-V362 HydrophobicContact CB-CG2 3.92Å; M324-F367 HydrophobicContact CG-CB 4.22Å; M324-F367 HydrophobicContact CG-CD2 4.24Å; M324-F367 HydrophobicContact CG-CG 4.27Å
325G91.3Very high87.5Confident0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-61.2-48.2172.100000112.1L321 L322 A323 L327 S328 S329L321-G325 PolarHBondContact O-N 3.34Å; L322-G325 PolarHBondContact O-N 3.34Å; A323-G325 VanDerWaalsContact C-N 3.31Å; A323-G325 PolarHBondContact O-N 2.97Å; G325-L327 VanDerWaalsContact C-N 3.33Å; G325-L327 PolarHBondContact O-N 3.35Å; G325-S328 WeakPolarHBondContact O-CB 3.48Å; G325-S328 PolarHBondContact O-N 3.27Å; G325-S328 VanDerWaalsContact O-N 3.13Å; G325-S329 WeakPolarHBondContact O-CB 3.41Å; G325-S329 PolarHBondContact O-N 3.35Å; G325-S329 PolarHBondContact O-OG 2.94Å; G325-S329 VanDerWaalsContact O-OG 3.07Å
326V91.1Very high87.1Confident0 Ų035.4 Ų35.40%018%0.183CC..Hα-helixtrans-58.9-43.9176.3171.10000111.4L26 F64 I94 L322 A323 S330 I335 L355L26-V326 HydrophobicContact CD1-CG1 3.75Å; L26-V326 HydrophobicContact CD1-CG2 4.28Å; F64-V326 HydrophobicContact CB-CG1 4.45Å; F64-V326 HydrophobicContact CD1-CG1 4.49Å; F64-V326 HydrophobicContact CD2-CG1 4.15Å; F64-V326 HydrophobicContact CG-CG1 4.1Å; I94-V326 HydrophobicContact CD1-CG2 4.29Å; L322-V326 WeakPolarHBondContact O-CG2 3.48Å; L322-V326 PolarHBondContact O-N 3.01Å; A323-V326 PolarHBondContact O-N 2.88Å; V326-S330 WeakPolarHBondContact O-CB 3.33Å; V326-S330 PolarHBondContact O-N 2.84Å; V326-I335 HydrophobicContact CB-CD1 4.45Å; V326-I335 HydrophobicContact CG1-CD1 4.37Å; V326-I335 HydrophobicContact CG2-CD1 4.35Å; V326-L355 HydrophobicContact CG2-CD1 3.89Å
327L88Confident86.9Confident12 Ų1235 Ų356%0.06319%0.187CC..Hα-helixtrans-57.7-47.7174-84.6145.2000111.5L53 L54 H57 D58 A323 M324 G325 S330L53-L327 HydrophobicContact CD2-CD1 3.81Å; L54-L327 HydrophobicContact CD2-CD1 3.65Å; L54-L327 HydrophobicContact CD2-CG 3.67Å; H57-L327 HydrophobicContact CB-CD1 4.01Å; H57-L327 HydrophobicContact CB-CD2 3.67Å; D58-L327 HydrophobicContact CB-CD2 4.27Å; A323-L327 WeakPolarHBondContact O-CD1 3.29Å; A323-L327 PolarHBondContact O-N 3.21Å; M324-L327 WeakPolarHBondContact O-CB 3.39Å; M324-L327 PolarHBondContact O-N 3.03Å; M324-L327 HydrophobicContact SD-CD1 3.95Å; G325-L327 VanDerWaalsContact C-N 3.33Å; G325-L327 PolarHBondContact O-N 3.35Å; L327-S330 PolarHBondContact O-N 3.34Å; L327-S330 PolarHBondContact O-OG 2.9Å
328S87.5Confident86.7Confident43 Ų4335.2 Ų35.230%0.30119%0.189SC..Hα-helixtrans-62.6-51.7179.3-172.40000111.4M324 G325 S330 R331M324-S328 WeakPolarHBondContact O-CB 3.12Å; M324-S328 PolarHBondContact O-N 3.21Å; G325-S328 WeakPolarHBondContact O-CB 3.48Å; G325-S328 PolarHBondContact O-N 3.27Å; G325-S328 VanDerWaalsContact O-N 3.13Å; S328-S330 VanDerWaalsContact C-N 3.25Å; S328-S330 PolarHBondContact O-N 2.88Å; S328-R331 WeakPolarHBondContact O-CB 3.4Å; S328-R331 PolarHBondContact O-N 2.78Å; S328-R331 VanDerWaalsContact O-N 3.11Å
329S86.9Confident86.4Confident0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-58.5-36.8177.4-60.90000112.4G325 R331 S332 T333 D358G325-S329 WeakPolarHBondContact O-CB 3.41Å; G325-S329 PolarHBondContact O-N 3.35Å; G325-S329 PolarHBondContact O-OG 2.94Å; G325-S329 VanDerWaalsContact O-OG 3.07Å; S329-R331 PolarHBondContact O-N 3.28Å; S329-S332 PolarHBondContact O-N 3.49Å; S329-S332 PolarHBondContact O-OG 2.91Å; S329-T333 CarbonylContact C-O 3.4Å; S329-T333 CarbonylContact O-C 3.6Å; S329-T333 PolarHBondContact O-N 3.46Å; S329-T333 PolarHBondContact O-OG1 3.1Å; S329-D358 WeakPolarHBondContact CA-OD2 2.97Å; S329-D358 WeakPolarHBondContact CB-OD2 3.31Å; S329-D358 VanDerWaalsContact OG-CB 3.29Å; S329-D358 WeakPolarHBondContact OG-CB 3.5Å; S329-D358 VanDerWaalsContact OG-CG 3.29Å; S329-D358 PolarHBondContact OG-OD2 3.42Å
330S82.9Confident85.9Confident11 Ų1142.9 Ų42.98%0.07724%0.242CC..Hα-helixtrans-60.8-16.9179.981.40000114.5R63 V326 L327 S328 T333R63-S330 PolarHBondContact NH2-OG 2.86Å; V326-S330 WeakPolarHBondContact O-CB 3.33Å; V326-S330 PolarHBondContact O-N 2.84Å; L327-S330 PolarHBondContact O-N 3.34Å; L327-S330 PolarHBondContact O-OG 2.9Å; S328-S330 VanDerWaalsContact C-N 3.25Å; S328-S330 PolarHBondContact O-N 2.88Å; S330-T333 WeakPolarHBondContact CA-O 3.33Å
331R80.6Confident85.8Confident206 Ų20643.3 Ų43.378%0.77724%0.244SC*.Hα-helixtrans-84.3-28176.6-61.5175.5178.2172.9-0.4112.2S328 S329S328-R331 WeakPolarHBondContact O-CB 3.4Å; S328-R331 PolarHBondContact O-N 2.78Å; S328-R331 VanDerWaalsContact O-N 3.11Å; S329-R331 PolarHBondContact O-N 3.28Å
332S76.4Confident85.6Confident83 Ų8344.3 Ų44.358%0.5825%0.251SS*.Hα-helixtrans-102.3-36.6-176.963.40000112.6S329S329-S332 PolarHBondContact O-N 3.49Å; S329-S332 PolarHBondContact O-OG 2.91Å
333T71.2Confident85.3Confident58 Ų5846.3 Ų46.336%0.35627%0.265SS..SBendtrans-144141.8-173.354.80000110.8S329 S330 I335 T354S329-T333 CarbonylContact C-O 3.4Å; S329-T333 CarbonylContact O-C 3.6Å; S329-T333 PolarHBondContact O-N 3.46Å; S329-T333 PolarHBondContact O-OG1 3.1Å; S330-T333 WeakPolarHBondContact CA-O 3.33Å; T333-I335 PolarHBondContact O-N 3.43Å; T333-I335 VanDerWaalsContact O-N 3.09Å; T333-T354 HydrophobicContact CG2-CG2 4.43Å
334N74.1Confident85.1Confident126 Ų12651.2 Ų51.267%0.67430%0.299SS*.  trans-74.3101.6168.8-84-23.5000108.5L336N334-L336 PolarHBondContact O-N 3.47Å
335I80.8Confident84.7Confident3 Ų353 Ų532%0.01531%0.311CS..  trans-65.2109168.9-65178.8000107.7L26 V326 T333 W349 L355L26-I335 HydrophobicContact CD1-CG2 4.47Å; L26-I335 HydrophobicContact CD2-CG2 4.32Å; V326-I335 HydrophobicContact CB-CD1 4.45Å; V326-I335 HydrophobicContact CG1-CD1 4.37Å; V326-I335 HydrophobicContact CG2-CD1 4.35Å; T333-I335 PolarHBondContact O-N 3.43Å; T333-I335 VanDerWaalsContact O-N 3.09Å; I335-W349 HydrophobicContact CG2-CH2 4.46Å; I335-W349 HydrophobicContact CG2-CZ2 4.09Å; I335-L355 HydrophobicContact CD1-CD1 3.91Å
336L83.3Confident84.3Confident113 Ų11359 Ų5959%0.59234%0.344SS*.PPolyproline II helixtrans-101.4146.8168.6-70.1166.5000109.4N334 W349N334-L336 PolarHBondContact O-N 3.47Å; L336-W349 PolarHBondContact O-NE1 3.15Å
337P85.6Confident84.1Confident44 Ų4465.9 Ų65.929%0.28637%0.37SS..PPolyproline II helixtrans-52.6147.8171.5-22.631.1000111.4T24 L26T24-P337 HydrophobicContact CG2-CG 4.28Å; L26-P337 HydrophobicContact CD2-CG 4.1Å
338P88.4Confident84.2Confident5 Ų568.4 Ų68.43%0.03239%0.385CS..PPolyproline II helixtrans-56149.2169.8-14.323.4000111.1Q92 V93 I117 L341 W349Q92-P338 HydrophobicContact CB-CB 4.31Å; Q92-P338 WeakPolarHBondContact CB-O 3.37Å; Q92-P338 WeakPolarHBondContact CG-O 3.33Å; Q92-P338 PolarHBondContact OE1-O 2.68Å; V93-P338 WeakPolarHBondContact O-CG 3.3Å; I117-P338 HydrophobicContact CD1-CG 4.42Å; P338-L341 HydrophobicContact CB-CD1 3.46Å; P338-L341 VanDerWaalsContact CB-CD1 3.46Å; P338-L341 HydrophobicContact CB-CG 3.84Å; P338-L341 HydrophobicContact CG-CD1 4.09Å; P338-W349 HydrophobicContact CB-CB 4.44Å; P338-W349 HydrophobicContact CB-CG 4.01Å; P338-W349 HydrophobicContact CG-CD2 3.86Å; P338-W349 HydrophobicContact CG-CG 3.83Å; P338-W349 HydrophobicContact CG-CZ2 4.46Å
339V86.4Confident84.4Confident127 Ų12767 Ų6777%0.7737%0.373SS*.  trans-129.8122.5177.7-175.10000110.2L341V339-L341 VanDerWaalsContact C-N 3.34Å; V339-L341 PolarHBondContact O-N 3.22Å
340G85.6Confident84.4Confident40 Ų4073 Ų7341%0.41241%0.406SS..SBendtrans68.529.9172.900000114Q92Q92-G340 VanDerWaalsContact OE1-N 3.1Å
341L89.3Confident84.8Confident9 Ų974.4 Ų74.45%0.04742%0.415CS..  trans-69.3133.5165.1-61.8-177000109.9I89 Q92 F115 I117 P338 V339 R347 W349I89-L341 HydrophobicContact CG2-CB 3.81Å; I89-L341 HydrophobicContact CG2-CD1 4.08Å; Q92-L341 PolarHBondContact NE2-O 3.05Å; F115-L341 HydrophobicContact CD1-CD2 4.48Å; I117-L341 HydrophobicContact CD1-CD1 3.96Å; P338-L341 HydrophobicContact CB-CD1 3.46Å; P338-L341 VanDerWaalsContact CB-CD1 3.46Å; P338-L341 HydrophobicContact CB-CG 3.84Å; P338-L341 HydrophobicContact CG-CD1 4.09Å; V339-L341 VanDerWaalsContact C-N 3.34Å; V339-L341 PolarHBondContact O-N 3.22Å; L341-R347 HydrophobicContact CD2-CB 4.07Å; L341-R347 WeakPolarHBondContact CD2-O 3.42Å; L341-W349 HydrophobicContact CD1-CB 4.27Å
342S88.9Confident85.3Confident24 Ų2464.6 Ų64.617%0.16838%0.378CS..BIsolated β-bridgetrans-150.6147.5168.7169.40000109E90 F115 S344 V345E90-S342 PolarHBondContact OE1-OG 2.94Å; F115-S342 WeakPolarHBondContact CE1-O 3.41Å; S342-S344 PolarHBondContact O-N 3.27Å; S342-S344 VanDerWaalsContact O-N 3.1Å; S342-S344 PolarHBondContact OG-N 3.29Å; S342-S344 PolarHBondContact OG-OG 2.82Å; S342-V345 PolarHBondContact O-N 2.75Å
343C89.7Confident85.9Confident43 Ų4364.5 Ų64.529%0.29137%0.37SS..THydrogen-bonded Turntrans-68.8-9.4-179.8-50.90000114.1C86 F115C86-C343 WeakPolarHBondContact CA-SG 3.44Å; C86-C343 HydrophobicContact CB-CB 4.18Å; C86-C343 WeakPolarHBondContact CB-SG 3.31Å; C86-C343 WeakPolarHBondContact SG-CB 3.47Å; C86-C343 CovalentContact SG-SG 2.01Å; C86-C343 PolarHBondContact SG-SG 3.03Å; F115-C343 HydrophobicContact CZ-CB 4.29Å
344S87.5Confident86.8Confident102 Ų10264.3 Ų64.371%0.71337%0.369SS*.THydrogen-bonded Turntrans-80.4-17.9171.6610000113.3S342S342-S344 PolarHBondContact O-N 3.27Å; S342-S344 VanDerWaalsContact O-N 3.1Å; S342-S344 PolarHBondContact OG-N 3.29Å; S342-S344 PolarHBondContact OG-OG 2.82Å
345V83.9Confident87.6Confident63 Ų6358.3 Ų58.338%0.38234%0.337SS..BIsolated β-bridgetrans-124127.8-173.7-167.70000110.1S342 R347S342-V345 PolarHBondContact O-N 2.75Å; V345-R347 VanDerWaalsContact C-N 3.28Å; V345-R347 HydrophobicContact CG1-CG 3.95Å; V345-R347 PolarHBondContact O-N 3.27Å
346N81.6Confident88.1Confident128 Ų12858.1 Ų58.168%0.68434%0.336SS*.  trans-79.371.4-179.7-163.331.1000112.1
347R87.5Confident88.5Confident143 Ų14356.6 Ų56.654%0.5433%0.328SS..  trans-110.6137.3174.4-74.1-179-179.3-169.81.1110.4F115 L341 V345F115-R347 VanDerWaalsContact CD1-O 3.28Å; F115-R347 WeakPolarHBondContact CD1-O 3.36Å; L341-R347 HydrophobicContact CD2-CB 4.07Å; L341-R347 WeakPolarHBondContact CD2-O 3.42Å; V345-R347 VanDerWaalsContact C-N 3.28Å; V345-R347 HydrophobicContact CG1-CG 3.95Å; V345-R347 PolarHBondContact O-N 3.27Å
348V89.9Confident88.7Confident65 Ų6555.9 Ų55.939%0.39432%0.322SS..  trans-107.8138179.5-174.10000109.7N350V348-N350 PolarHBondContact O-N 2.86Å
349W91.8Very high88.9Confident14 Ų1455.7 Ų55.75%0.05332%0.321CS..  trans-83.489.5170.7-176.358.2000110.3I94 F115 I117 I335 L336 P338 L341 P351 G352 L355I94-W349 HydrophobicContact CB-CH2 3.67Å; I94-W349 HydrophobicContact CB-CZ2 4.32Å; I94-W349 HydrophobicContact CB-CZ3 4.15Å; I94-W349 HydrophobicContact CG2-CH2 3.74Å; I94-W349 HydrophobicContact CG2-CZ2 3.87Å; I94-W349 WeakPolarHBondContact O-CZ3 3.39Å; F115-W349 PolarHBondContact O-N 2.92Å; I117-W349 HydrophobicContact CD1-CB 3.95Å; I117-W349 HydrophobicContact CD1-CD2 4.18Å; I117-W349 HydrophobicContact CD1-CE3 3.66Å; I117-W349 HydrophobicContact CD1-CG 4.35Å; I117-W349 HydrophobicContact CD1-CZ3 4.47Å; I335-W349 HydrophobicContact CG2-CH2 4.46Å; I335-W349 HydrophobicContact CG2-CZ2 4.09Å; L336-W349 PolarHBondContact O-NE1 3.15Å; P338-W349 HydrophobicContact CB-CB 4.44Å; P338-W349 HydrophobicContact CB-CG 4.01Å; P338-W349 HydrophobicContact CG-CD2 3.86Å; P338-W349 HydrophobicContact CG-CG 3.83Å; P338-W349 HydrophobicContact CG-CZ2 4.46Å; L341-W349 HydrophobicContact CD1-CB 4.27Å; W349-P351 VanDerWaalsContact C-N 3.32Å; W349-P351 HydrophobicContact CD2-CB 4.41Å; W349-P351 HydrophobicContact CZ2-CB 3.95Å; W349-G352 VanDerWaalsContact CE3-CA 3.41Å; W349-G352 VanDerWaalsContact CZ3-CA 3.46Å; W349-G352 PolarHBondContact O-N 3.47Å; W349-L355 HydrophobicContact CH2-CD2 3.85Å; W349-L355 HydrophobicContact CZ3-CD2 4.16Å
350N88Confident89.1Confident126 Ų12652 Ų5267%0.67429%0.294SS*.THydrogen-bonded Turntrans-50.7-39.8-176.6-64.5-20.7000115V348 G352 L353V348-N350 PolarHBondContact O-N 2.86Å; N350-G352 PolarHBondContact O-N 3.29Å; N350-G352 VanDerWaalsContact O-N 3.13Å; N350-L353 PolarHBondContact O-N 3.42Å
351P90.4Very high89.4Confident41 Ų4153.5 Ų53.527%0.26630%0.303SS..Hα-helixtrans-60.4-20.4177.3-24.635000114.6W349 L353 T354 L355W349-P351 VanDerWaalsContact C-N 3.32Å; W349-P351 HydrophobicContact CD2-CB 4.41Å; W349-P351 HydrophobicContact CZ2-CB 3.95Å; P351-L353 VanDerWaalsContact C-N 3.27Å; P351-L353 PolarHBondContact O-N 2.82Å; P351-T354 WeakPolarHBondContact O-CB 3.33Å; P351-T354 PolarHBondContact O-N 3.31Å; P351-T354 VanDerWaalsContact O-N 3.16Å; P351-L355 WeakPolarHBondContact O-CB 3.48Å; P351-L355 PolarHBondContact O-N 2.86Å
352G90.7Very high89.4Confident0 Ų054.1 Ų54.10%031%0.307CS..Hα-helixtrans-63.2-30.6-178.700000113.9G116 W349 N350 I356G116-G352 WeakPolarHBondContact O-CA 3.46Å; W349-G352 VanDerWaalsContact CE3-CA 3.41Å; W349-G352 VanDerWaalsContact CZ3-CA 3.46Å; W349-G352 PolarHBondContact O-N 3.47Å; N350-G352 PolarHBondContact O-N 3.29Å; N350-G352 VanDerWaalsContact O-N 3.13Å; G352-I356 WeakPolarHBondContact O-CG2 3.43Å; G352-I356 PolarHBondContact O-N 3.49Å
353L88.7Confident89.2Confident80 Ų8058.1 Ų58.142%0.41932%0.323SS..Hα-helixtrans-73.3-36.1176-175.661.9000111.5Y133 N350 P351 I356 N357Y133-L353 HydrophobicContact CE1-CB 3.9Å; Y133-L353 HydrophobicContact CE1-CD1 4.31Å; N350-L353 PolarHBondContact O-N 3.42Å; P351-L353 VanDerWaalsContact C-N 3.27Å; P351-L353 PolarHBondContact O-N 2.82Å; L353-I356 HydrophobicContact CD1-CG2 4.05Å; L353-I356 VanDerWaalsContact O-CG2 3.24Å; L353-I356 WeakPolarHBondContact O-CG2 3.14Å; L353-N357 WeakPolarHBondContact O-CB 3.11Å; L353-N357 VanDerWaalsContact O-CG 3.26Å; L353-N357 PolarHBondContact O-N 3.49Å; L353-N357 PolarHBondContact O-ND2 3.06Å; L353-N357 VanDerWaalsContact O-ND2 3.1Å
354T90.1Very high88.9Confident54 Ų5458.5 Ų58.533%0.33133%0.325SS..Hα-helixtrans-66.2-47.2173.6-51.60000109.8T333 P351 I356 N357 D358T333-T354 HydrophobicContact CG2-CG2 4.43Å; P351-T354 WeakPolarHBondContact O-CB 3.33Å; P351-T354 PolarHBondContact O-N 3.31Å; P351-T354 VanDerWaalsContact O-N 3.16Å; T354-I356 PolarHBondContact O-N 3.29Å; T354-N357 PolarHBondContact O-N 3.26Å; T354-D358 WeakPolarHBondContact O-CB 3.48Å; T354-D358 VanDerWaalsContact O-CG 3.31Å; T354-D358 PolarHBondContact O-N 2.59Å
355L91.9Very high88.6Confident0 Ų059.3 Ų59.30%033%0.325CS..Hα-helixtrans-59-46.3178.9177.256.9000112.2P118 L322 V326 I335 W349 P351 N357 D358 I359P118-L355 HydrophobicContact CG-CD2 4.19Å; P118-L355 HydrophobicContact CG-CG 4.41Å; L322-L355 HydrophobicContact CD1-CD1 4.42Å; L322-L355 HydrophobicContact CD1-CD2 4.15Å; L322-L355 HydrophobicContact CD1-CG 4.47Å; V326-L355 HydrophobicContact CG2-CD1 3.89Å; I335-L355 HydrophobicContact CD1-CD1 3.91Å; W349-L355 HydrophobicContact CH2-CD2 3.85Å; W349-L355 HydrophobicContact CZ3-CD2 4.16Å; P351-L355 WeakPolarHBondContact O-CB 3.48Å; P351-L355 PolarHBondContact O-N 2.86Å; L355-N357 VanDerWaalsContact C-N 3.34Å; L355-N357 PolarHBondContact O-N 3.27Å; L355-D358 PolarHBondContact O-N 2.83Å; L355-I359 HydrophobicContact CD1-CD1 4.19Å; L355-I359 HydrophobicContact CD1-CG1 4.25Å; L355-I359 HydrophobicContact CG-CD1 4.12Å; L355-I359 VanDerWaalsContact O-CG1 3.25Å; L355-I359 WeakPolarHBondContact O-CG1 3.21Å; L355-I359 PolarHBondContact O-N 2.75Å
356I91.6Very high88.5Confident0 Ų059.9 Ų59.90%033%0.332CS..Hα-helixtrans-64.3-39.1178.9-165.7172.1000112.3Y133 L135 G352 L353 T354 D358 I359 K360Y133-I356 WeakPolarHBondContact O-CD1 3.36Å; L135-I356 HydrophobicContact CD1-CD1 4.38Å; L135-I356 HydrophobicContact CD1-CG1 3.73Å; L135-I356 HydrophobicContact CD2-CG1 4.3Å; L135-I356 HydrophobicContact CG-CD1 3.99Å; L135-I356 HydrophobicContact CG-CG1 3.79Å; G352-I356 WeakPolarHBondContact O-CG2 3.43Å; G352-I356 PolarHBondContact O-N 3.49Å; L353-I356 HydrophobicContact CD1-CG2 4.05Å; L353-I356 VanDerWaalsContact O-CG2 3.24Å; L353-I356 WeakPolarHBondContact O-CG2 3.14Å; T354-I356 PolarHBondContact O-N 3.29Å; I356-D358 VanDerWaalsContact C-N 3.33Å; I356-I359 PolarHBondContact O-N 2.93Å; I356-K360 WeakPolarHBondContact O-CG 3.43Å; I356-K360 PolarHBondContact O-N 2.78Å
357N90.5Very high88.7Confident81 Ų8154.8 Ų54.843%0.43330%0.304SS..Hα-helixtrans-66.7-38.1176.7-72-26000111.3L353 T354 L355 K360 A361L353-N357 WeakPolarHBondContact O-CB 3.11Å; L353-N357 VanDerWaalsContact O-CG 3.26Å; L353-N357 PolarHBondContact O-N 3.49Å; L353-N357 PolarHBondContact O-ND2 3.06Å; L353-N357 VanDerWaalsContact O-ND2 3.1Å; T354-N357 PolarHBondContact O-N 3.26Å; L355-N357 VanDerWaalsContact C-N 3.34Å; L355-N357 PolarHBondContact O-N 3.27Å; N357-K360 PolarHBondContact O-N 3.09Å; N357-A361 VanDerWaalsContact O-CB 3.29Å; N357-A361 WeakPolarHBondContact O-CB 3.06Å; N357-A361 PolarHBondContact O-N 2.96Å
358D91.3Very high88.6Confident28 Ų2856.1 Ų56.115%0.1531%0.309CS..Hα-helixtrans-67.2-35.4175.8-72-30.9000112S329 T354 L355 I356 A361 V362S329-D358 WeakPolarHBondContact CA-OD2 2.97Å; S329-D358 WeakPolarHBondContact CB-OD2 3.31Å; S329-D358 VanDerWaalsContact OG-CB 3.29Å; S329-D358 WeakPolarHBondContact OG-CB 3.5Å; S329-D358 VanDerWaalsContact OG-CG 3.29Å; S329-D358 PolarHBondContact OG-OD2 3.42Å; T354-D358 WeakPolarHBondContact O-CB 3.48Å; T354-D358 VanDerWaalsContact O-CG 3.31Å; T354-D358 PolarHBondContact O-N 2.59Å; L355-D358 PolarHBondContact O-N 2.83Å; I356-D358 VanDerWaalsContact C-N 3.33Å; D358-A361 PolarHBondContact O-N 2.61Å; D358-V362 WeakPolarHBondContact O-CG2 3.46Å; D358-V362 PolarHBondContact O-N 2.94Å
359I92.1Very high88.5Confident2 Ų253.3 Ų53.31%0.0129%0.294CS..Hα-helixtrans-64.9-45.9170.9-62162000110.6L135 L321 L322 L355 I356 A361 V362L135-I359 HydrophobicContact CD1-CB 3.82Å; L135-I359 HydrophobicContact CD1-CD1 3.82Å; L135-I359 HydrophobicContact CD1-CG1 4.44Å; L135-I359 HydrophobicContact CD1-CG2 3.49Å; L135-I359 VanDerWaalsContact CD1-CG2 3.49Å; L321-I359 HydrophobicContact CB-CG2 4.18Å; L322-I359 HydrophobicContact CD1-CD1 3.62Å; L355-I359 HydrophobicContact CD1-CD1 4.19Å; L355-I359 HydrophobicContact CD1-CG1 4.25Å; L355-I359 HydrophobicContact CG-CD1 4.12Å; L355-I359 VanDerWaalsContact O-CG1 3.25Å; L355-I359 WeakPolarHBondContact O-CG1 3.21Å; L355-I359 PolarHBondContact O-N 2.75Å; I356-I359 PolarHBondContact O-N 2.93Å; I359-A361 PolarHBondContact O-N 3.22Å; I359-V362 WeakPolarHBondContact O-CB 3.07Å; I359-V362 WeakPolarHBondContact O-CG2 3.33Å; I359-V362 PolarHBondContact O-N 3.09Å
360K91.2Very high88.2Confident48 Ų4853.9 Ų53.921%0.20930%0.298CS..Hα-helixtrans-62.7-29.9177.7-70.4-177.9-178-173.10112.8L135 I356 N357 V362 F376 G378L135-K360 HydrophobicContact CD2-CD 4.26Å; L135-K360 HydrophobicContact CD2-CG 3.62Å; I356-K360 WeakPolarHBondContact O-CG 3.43Å; I356-K360 PolarHBondContact O-N 2.78Å; N357-K360 PolarHBondContact O-N 3.09Å; K360-V362 VanDerWaalsContact C-N 3.33Å; K360-F376 HydrophobicContact CD-CB 4.49Å; K360-F376 HydrophobicContact CG-CB 4.05Å; K360-F376 HydrophobicContact CG-CD2 4.29Å; K360-F376 HydrophobicContact CG-CG 4.34Å; K360-G378 PolarHBondContact NZ-O 3.48Å
361A90.1Very high88.3Confident72 Ų7248 Ų4860%0.59527%0.266SS*.THydrogen-bonded Turntrans-83-4.5-179.500000114N357 D358 I359 H363N357-A361 VanDerWaalsContact O-CB 3.29Å; N357-A361 WeakPolarHBondContact O-CB 3.06Å; N357-A361 PolarHBondContact O-N 2.96Å; D358-A361 PolarHBondContact O-N 2.61Å; I359-A361 PolarHBondContact O-N 3.22Å; A361-H363 PolarHBondContact O-N 2.83Å
362V89.6Confident88.1Confident22 Ų2246.1 Ų46.113%0.13325%0.254CS..  trans-59.9114.5174.8176.70000109L321 M324 D358 I359 K360 F367L321-V362 HydrophobicContact CD2-CB 4.39Å; L321-V362 HydrophobicContact CD2-CG1 4.21Å; M324-V362 HydrophobicContact CB-CG1 4.32Å; M324-V362 HydrophobicContact CB-CG2 3.92Å; D358-V362 WeakPolarHBondContact O-CG2 3.46Å; D358-V362 PolarHBondContact O-N 2.94Å; I359-V362 WeakPolarHBondContact O-CB 3.07Å; I359-V362 WeakPolarHBondContact O-CG2 3.33Å; I359-V362 PolarHBondContact O-N 3.09Å; K360-V362 VanDerWaalsContact C-N 3.33Å; V362-F367 HydrophobicContact CG1-CB 3.94Å
363H86.1Confident88Confident109 Ų10948.4 Ų48.451%0.50527%0.269SS..  trans-70.2139.9-176.4-165.9-92.6000110.9A361 T365 S366 F367A361-H363 PolarHBondContact O-N 2.83Å; H363-T365 PolarHBondContact CE1-OG1 2.64Å; H363-T365 PolarHBondContact ND1-N 3.21Å; H363-T365 PolarHBondContact ND1-OG1 2.92Å; H363-T365 PolarHBondContact O-N 2.97Å; H363-S366 WeakPolarHBondContact O-CB 3.4Å; H363-S366 PolarHBondContact O-N 3.33Å; H363-F367 PolarHBondContact O-N 2.9Å
364P82.9Confident87.9Confident50 Ų5044.9 Ų44.933%0.32525%0.25SS..THydrogen-bonded Turntrans-55.1-25.1-179-27.932.8000115.5P373P364-P373 HydrophobicContact CB-CB 4Å
365T81.1Confident87.8Confident119 Ų11947 Ų4773%0.7326%0.257SS*.THydrogen-bonded Turntrans-83.2-20.4177.362.80000113.4H363H363-T365 PolarHBondContact CE1-OG1 2.64Å; H363-T365 PolarHBondContact ND1-N 3.21Å; H363-T365 PolarHBondContact ND1-OG1 2.92Å; H363-T365 PolarHBondContact O-N 2.97Å
366S82.5Confident87.7Confident75 Ų7548.1 Ų48.152%0.52426%0.262SS..THydrogen-bonded Turntrans-82.7-29.9179.7-59.10000112.2H363H363-S366 WeakPolarHBondContact O-CB 3.4Å; H363-S366 PolarHBondContact O-N 3.33Å
367F85.9Confident87.4Confident21 Ų2150.5 Ų50.59%0.09227%0.274CS..  trans-144.3121.3175.3176.2-100.3000110L53 L321 M324 V362 H363 F374L53-F367 HydrophobicContact CD1-CD2 4.24Å; L53-F367 HydrophobicContact CD1-CE2 3.98Å; L321-F367 HydrophobicContact CD2-CD1 3.55Å; L321-F367 HydrophobicContact CD2-CE1 3.95Å; L321-F367 HydrophobicContact CG-CD1 3.97Å; L321-F367 HydrophobicContact CG-CE1 3.82Å; M324-F367 HydrophobicContact CG-CB 4.22Å; M324-F367 HydrophobicContact CG-CD2 4.24Å; M324-F367 HydrophobicContact CG-CG 4.27Å; V362-F367 HydrophobicContact CG1-CB 3.94Å; H363-F367 PolarHBondContact O-N 2.9Å; F367-F374 HydrophobicContact CE1-CD2 4.41Å; F367-F374 HydrophobicContact CE1-CE2 4.4Å
368R84.7Confident87.1Confident171 Ų17150.1 Ų50.165%0.64529%0.289SS*.  trans-111.3115.8170.6-174.9176.2179.1171.1-0.3107.8H271H271-R368 PolarHBondContact NE2-NH2 3.34Å
369G86.8Confident86.8Confident7 Ų753.3 Ų53.37%0.07230%0.303CS..BIsolated β-bridgetrans-78.1175.5177.200000112.7D317 T371 G372D317-G369 WeakPolarHBondContact OD1-CA 3.48Å; G369-T371 PolarHBondContact O-N 3.12Å; G369-G372 PolarHBondContact N-O 3.31Å; G369-G372 VanDerWaalsContact N-O 3.11Å; G369-G372 PolarHBondContact O-N 3.26Å
370L86.7Confident86.6Confident26 Ų2653.2 Ų53.214%0.13630%0.303CS..THydrogen-bonded Turntrans-61.7-31.7175-65.7-172.3000112.2V281 L284 A313 Y316 D317 G372V281-L370 HydrophobicContact CG2-CB 3.92Å; V281-L370 HydrophobicContact CG2-CD1 4.33Å; V281-L370 HydrophobicContact CG2-CD2 3.88Å; V281-L370 HydrophobicContact CG2-CG 4.24Å; L284-L370 HydrophobicContact CD2-CD1 3.51Å; A313-L370 HydrophobicContact CB-CB 3.91Å; A313-L370 HydrophobicContact CB-CD1 4.26Å; Y316-L370 HydrophobicContact CD1-CD1 3.58Å; Y316-L370 HydrophobicContact CD1-CG 3.67Å; Y316-L370 HydrophobicContact CD2-CD1 4.46Å; Y316-L370 HydrophobicContact CE1-CD1 4.05Å; Y316-L370 HydrophobicContact CE1-CD2 4.46Å; Y316-L370 HydrophobicContact CE1-CG 3.87Å; Y316-L370 HydrophobicContact CG-CD1 3.83Å; Y316-L370 HydrophobicContact CG-CG 4.43Å; D317-L370 PolarHBondContact OD1-N 2.9Å; D317-L370 PolarHBondContact OD2-N 3.46Å; L370-G372 VanDerWaalsContact C-N 3.33Å
371T89.3Confident86.5Confident1 Ų153.4 Ų53.41%0.00630%0.302CS..THydrogen-bonded Turntrans-94.218.1174.667.50000113.4I269 L270 A313 L314 D317 G369 F374 R382I269-T371 HydrophobicContact CD1-CG2 3.94Å; I269-T371 HydrophobicContact CG1-CG2 4.13Å; I269-T371 CarbonylContact O-C 3.47Å; I269-T371 WeakPolarHBondContact O-CA 3.46Å; L270-T371 HydrophobicContact CD2-CG2 3.95Å; A313-T371 HydrophobicContact CB-CG2 3.81Å; L314-T371 HydrophobicContact CD2-CG2 3.82Å; L314-T371 HydrophobicContact CG-CG2 4.01Å; D317-T371 WeakPolarHBondContact OD2-CB 3.15Å; D317-T371 WeakPolarHBondContact OD2-CG2 2.9Å; D317-T371 PolarHBondContact OD2-N 3.25Å; D317-T371 PolarHBondContact OD2-OG1 2.89Å; G369-T371 PolarHBondContact O-N 3.12Å; T371-F374 VanDerWaalsContact OG1-CZ 3.24Å; T371-F374 WeakPolarHBondContact OG1-CZ 3.2Å; T371-R382 PolarHBondContact O-NH2 3.4Å; T371-R382 PolarHBondContact OG1-NH1 3.42Å; T371-R382 VanDerWaalsContact OG1-NH1 3.11Å
372G86.8Confident86.4Confident2 Ų250.2 Ų50.22%0.02128%0.275CS..BIsolated β-bridgetrans92.7-161.4177.300000114.7G369 L370 F374G369-G372 PolarHBondContact N-O 3.31Å; G369-G372 VanDerWaalsContact N-O 3.11Å; G369-G372 PolarHBondContact O-N 3.26Å; L370-G372 VanDerWaalsContact C-N 3.33Å; G372-F374 WeakPolarHBondContact O-CE2 3.38Å
373P87.3Confident86Confident48 Ų4851.1 Ų51.131%0.31228%0.282SS..  trans-74.5153.5-177.929.7-33.6000112.2P364 R382P364-P373 HydrophobicContact CB-CB 4Å; P373-R382 PolarHBondContact O-NH2 2.96Å
374F86.9Confident85.8Confident6 Ų647.6 Ų47.63%0.02627%0.267CS..  trans-117.6134.6178.8-69.9-83.2000111.7V137 D317 L321 F367 T371 G372 F376 R382V137-F374 HydrophobicContact CB-CD1 4.35Å; V137-F374 HydrophobicContact CB-CE1 3.7Å; V137-F374 HydrophobicContact CB-CZ 4.43Å; V137-F374 HydrophobicContact CG1-CD1 4.36Å; V137-F374 HydrophobicContact CG1-CE1 4.08Å; D317-F374 HydrophobicContact CB-CE2 3.69Å; D317-F374 HydrophobicContact CB-CZ 3.46Å; D317-F374 VanDerWaalsContact CB-CZ 3.46Å; D317-F374 WeakPolarHBondContact OD2-CZ 3.4Å; L321-F374 HydrophobicContact CD1-CB 4.16Å; L321-F374 HydrophobicContact CD1-CD1 3.95Å; L321-F374 HydrophobicContact CD1-CD2 3.81Å; L321-F374 HydrophobicContact CD1-CE1 4.31Å; L321-F374 HydrophobicContact CD1-CE2 4.16Å; L321-F374 HydrophobicContact CD1-CG 3.69Å; L321-F374 HydrophobicContact CD1-CZ 4.39Å; L321-F374 HydrophobicContact CD2-CB 4.44Å; L321-F374 HydrophobicContact CD2-CD2 4.4Å; L321-F374 HydrophobicContact CG-CD2 4.38Å; F367-F374 HydrophobicContact CE1-CD2 4.41Å; F367-F374 HydrophobicContact CE1-CE2 4.4Å; T371-F374 VanDerWaalsContact OG1-CZ 3.24Å; T371-F374 WeakPolarHBondContact OG1-CZ 3.2Å; G372-F374 WeakPolarHBondContact O-CE2 3.38Å; F374-F376 HydrophobicContact CB-CE2 4.32Å; F374-F376 HydrophobicContact CD1-CZ 4.41Å; F374-R382 VanDerWaalsContact CE1-NH1 3.34Å
375Q88.8Confident86Confident99 Ų9945.3 Ų45.346%0.46325%0.252SS..  trans-142.5133.1167.6-172.918022.900106.9R382 S383 N384Q375-R382 CarbonylContact O-C 3.56Å; Q375-R382 WeakPolarHBondContact O-CA 3.36Å; Q375-S383 WeakPolarHBondContact CG-OG 3.22Å; Q375-S383 PolarHBondContact O-N 2.88Å; Q375-S383 PolarHBondContact O-OG 3.48Å; Q375-N384 HydrophobicContact CB-CB 4.46Å
376F89.3Confident86.3Confident24 Ų2442.5 Ų42.511%0.10523%0.231CC..BIsolated β-bridgetrans-108.7142.8179.4-59.7-82.8000110.6L135 V137 L321 K360 F374 W381L135-F376 HydrophobicContact CD2-CD1 3.81Å; L135-F376 HydrophobicContact CD2-CD2 4.19Å; L135-F376 HydrophobicContact CD2-CE1 3.91Å; L135-F376 HydrophobicContact CD2-CE2 4.28Å; L135-F376 HydrophobicContact CD2-CG 3.94Å; L135-F376 HydrophobicContact CD2-CZ 4.13Å; V137-F376 HydrophobicContact CG1-CE1 4.11Å; V137-F376 HydrophobicContact CG1-CZ 3.88Å; L321-F376 HydrophobicContact CD1-CE2 4.24Å; L321-F376 HydrophobicContact CD1-CZ 3.96Å; K360-F376 HydrophobicContact CD-CB 4.49Å; K360-F376 HydrophobicContact CG-CB 4.05Å; K360-F376 HydrophobicContact CG-CD2 4.29Å; K360-F376 HydrophobicContact CG-CG 4.34Å; F374-F376 HydrophobicContact CB-CE2 4.32Å; F374-F376 HydrophobicContact CD1-CZ 4.41Å; F376-W381 CarbonylContact C-O 3.56Å; F376-W381 VanDerWaalsContact CA-O 3.24Å; F376-W381 WeakPolarHBondContact CA-O 3.23Å
377D86.1Confident86.8Confident49 Ų4938.9 Ų38.926%0.26221%0.206SC..  trans-77.3-180168.582-15.9000111.5H379 G380 W381D377-H379 PolarHBondContact O-N 3.48Å; D377-H379 VanDerWaalsContact O-N 3.17Å; D377-H379 WeakPolarHBondContact OD1-CA 3.31Å; D377-H379 WeakPolarHBondContact OD1-CB 3.45Å; D377-H379 PolarHBondContact OD1-N 3.06Å; D377-H379 IonicContact OD2-CG 2.77Å; D377-H379 IonicContact OD2-ND1 3.6Å; D377-H379 PolarHBondContact OD2-ND1 3.19Å; D377-G380 PolarHBondContact O-N 3.38Å; D377-G380 VanDerWaalsContact O-N 3.12Å; D377-G380 PolarHBondContact OD1-N 2.91Å; D377-W381 PolarHBondContact N-O 3.14Å; D377-W381 WeakPolarHBondContact OD1-CB 3.28Å; D377-W381 PolarHBondContact OD1-N 3.41Å
378G83.4Confident87.2Confident73 Ų7338.1 Ų38.175%0.75320%0.203SC*.THydrogen-bonded Turntrans-58.7-26.9176.500000113.7K360K360-G378 PolarHBondContact NZ-O 3.48Å
379H84.8Confident87.7Confident95 Ų9530 Ų3044%0.4417%0.172SC..THydrogen-bonded Turntrans-86.2-11.3-179.3-53.1101.2000113.6S130 D377S130-H379 WeakPolarHBondContact CB-O 3.43Å; S130-H379 PolarHBondContact O-CD2 3.26Å; S130-H379 WeakPolarHBondContact OG-CB 3.47Å; D377-H379 PolarHBondContact O-N 3.48Å; D377-H379 VanDerWaalsContact O-N 3.17Å; D377-H379 WeakPolarHBondContact OD1-CA 3.31Å; D377-H379 WeakPolarHBondContact OD1-CB 3.45Å; D377-H379 PolarHBondContact OD1-N 3.06Å; D377-H379 IonicContact OD2-CG 2.77Å; D377-H379 IonicContact OD2-ND1 3.6Å; D377-H379 PolarHBondContact OD2-ND1 3.19Å
380G88.1Confident88Confident1 Ų129.7 Ų29.71%0.0117%0.168CC..SBendtrans9217.2-176.700000113.8N136 D377N136-G380 PolarHBondContact N-O 3.47Å; D377-G380 PolarHBondContact O-N 3.38Å; D377-G380 VanDerWaalsContact O-N 3.12Å; D377-G380 PolarHBondContact OD1-N 2.91Å
381W88.5Confident88.2Confident51 Ų5129.4 Ų29.419%0.19317%0.166CC..EExtended strand (participates in β ladder)trans-92.9144.5176.7-6912.8000110.5S130 H140 F376 D377 S383S130-W381 WeakPolarHBondContact OG-CZ2 3.19Å; S130-W381 PolarHBondContact OG-NE1 3.04Å; H140-W381 HydrophobicContact CB-CE3 4.1Å; H140-W381 AromaticContact CD2-CD2 3.76Å; H140-W381 AromaticContact CD2-CE3 3.14Å; H140-W381 AromaticContact CD2-CH2 3.53Å; H140-W381 AromaticContact CD2-CZ3 3.05Å; H140-W381 WeakPolarHBondContact CD2-CZ3 3.36Å; H140-W381 AromaticContact CE1-CE3 3.92Å; H140-W381 AromaticContact CE1-CH2 3.75Å; H140-W381 AromaticContact CE1-CZ3 3.19Å; H140-W381 WeakPolarHBondContact CE1-CZ3 3.27Å; H140-W381 AromaticContact CG-CE3 3.39Å; H140-W381 AromaticContact CG-CZ3 3.51Å; H140-W381 AromaticContact ND1-CE3 3.88Å; H140-W381 AromaticContact ND1-CZ3 3.58Å; H140-W381 AromaticContact NE2-CE3 3.55Å; H140-W381 AromaticContact NE2-CH2 3.09Å; H140-W381 WeakPolarHBondContact NE2-CH2 3.37Å; H140-W381 AromaticContact NE2-CZ2 3.96Å; H140-W381 AromaticContact NE2-CZ3 2.87Å; H140-W381 WeakPolarHBondContact NE2-CZ3 3.37Å; F376-W381 CarbonylContact C-O 3.56Å; F376-W381 VanDerWaalsContact CA-O 3.24Å; F376-W381 WeakPolarHBondContact CA-O 3.23Å; D377-W381 PolarHBondContact N-O 3.14Å; D377-W381 WeakPolarHBondContact OD1-CB 3.28Å; D377-W381 PolarHBondContact OD1-N 3.41Å; W381-S383 PolarHBondContact O-N 3.48Å; W381-S383 VanDerWaalsContact O-N 3.1Å
382R88.9Confident88.2Confident6 Ų631.3 Ų31.32%0.02318%0.177CC..EExtended strand (participates in β ladder)trans-65.9110173.9-172.2171.9-176.6178.80110.3N136 V137 T371 P373 F374 Q375 A385N136-R382 PolarHBondContact O-N 3.02Å; V137-R382 VanDerWaalsContact O-CD 3.22Å; V137-R382 WeakPolarHBondContact O-CD 3.41Å; V137-R382 PolarHBondContact O-NH1 3.24Å; T371-R382 PolarHBondContact O-NH2 3.4Å; T371-R382 PolarHBondContact OG1-NH1 3.42Å; T371-R382 VanDerWaalsContact OG1-NH1 3.11Å; P373-R382 PolarHBondContact O-NH2 2.96Å; F374-R382 VanDerWaalsContact CE1-NH1 3.34Å; Q375-R382 CarbonylContact O-C 3.56Å; Q375-R382 WeakPolarHBondContact O-CA 3.36Å; R382-A385 HydrophobicContact CG-CB 4.38Å
383S81.5Confident88Confident40 Ų4032.1 Ų32.128%0.2818%0.182SC..  trans-86.6-35.3-171.862.50000113.8Q375 W381 M405Q375-S383 WeakPolarHBondContact CG-OG 3.22Å; Q375-S383 PolarHBondContact O-N 2.88Å; Q375-S383 PolarHBondContact O-OG 3.48Å; W381-S383 PolarHBondContact O-N 3.48Å; W381-S383 VanDerWaalsContact O-N 3.1Å; S383-M405 VanDerWaalsContact O-CG 3.28Å; S383-M405 WeakPolarHBondContact O-CG 3.27Å
384N82.3Confident87.4Confident35 Ų3537.7 Ų37.719%0.18720%0.197CC..SBendtrans-123.469.1-175.9-162.95.3000111.2Q375 D406Q375-N384 HydrophobicContact CB-CB 4.46Å; N384-D406 PolarHBondContact ND2-OD2 3.03Å
385A85.4Confident86.8Confident2 Ų243.5 Ų43.52%0.01723%0.228CC..  trans-77.1128.9175.700000110.4P139 R382 L387P139-A385 HydrophobicContact CB-CB 3.66Å; P139-A385 HydrophobicContact CG-CB 3.78Å; R382-A385 HydrophobicContact CG-CB 4.38Å; A385-L387 HydrophobicContact CB-CD2 4.22Å
386H89.2Confident86.5Confident60 Ų6040 Ų4028%0.27822%0.219SC..  trans-87.7108.6173-174.2-89.4000109.3H402H386-H402 AromaticContact NE2-CD2 3.52Å; H386-H402 AromaticContact NE2-CG 3.54Å
387L92.9Very high86.4Confident0 Ų039.8 Ų39.80%022%0.218CC..EExtended strand (participates in β ladder)trans-99.1130.6179.4-52.3-175.7000109P139 F144 A147 W246 I269 A385 H402 W403P139-L387 HydrophobicContact CB-CD2 4.49Å; P139-L387 HydrophobicContact CG-CD2 4.33Å; F144-L387 HydrophobicContact CD2-CD1 4.47Å; A147-L387 HydrophobicContact CB-CD1 3.58Å; W246-L387 HydrophobicContact CH2-CD1 4.46Å; W246-L387 HydrophobicContact CH2-CD2 3.67Å; W246-L387 HydrophobicContact CZ3-CD2 4.07Å; I269-L387 HydrophobicContact CG2-CD2 3.46Å; I269-L387 VanDerWaalsContact CG2-CD2 3.46Å; A385-L387 HydrophobicContact CB-CD2 4.22Å; L387-H402 CarbonylContact O-C 3.58Å; L387-H402 VanDerWaalsContact O-CA 3.23Å; L387-H402 WeakPolarHBondContact O-CA 3.37Å; L387-H402 WeakPolarHBondContact O-CB 3.45Å; L387-W403 HydrophobicContact CB-CB 4.4Å; L387-W403 HydrophobicContact CD1-CE3 3.79Å; L387-W403 HydrophobicContact CD1-CZ3 4.16Å; L387-W403 HydrophobicContact CG-CE3 4.09Å; L387-W403 PolarHBondContact N-O 2.83Å; L387-W403 PolarHBondContact O-N 3.48Å
388I93.6Very high86.4Confident5 Ų541.2 Ų41.23%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-104.1131.7178.1-55.4173.4000107.9F267 T268 L390 E399F267-I388 CarbonylContact C-O 3.55Å; F267-I388 WeakPolarHBondContact CA-O 3.31Å; T268-I388 HydrophobicContact CG2-CB 3.97Å; T268-I388 HydrophobicContact CG2-CG2 4.47Å; T268-I388 PolarHBondContact N-O 3.13Å; T268-I388 PolarHBondContact O-N 3.29Å; I388-L390 HydrophobicContact CG2-CD2 3.75Å; I388-L390 HydrophobicContact CG2-CG 4.38Å; I388-E399 HydrophobicContact CG2-CG 3.93Å
389I95.1Very high86.7Confident0 Ų041.5 Ų41.50%021%0.205CC..EExtended strand (participates in β ladder)trans-98.4124.2175.2-51.1-175.3000107.3Y151 T265 F267 Y400 G401 L409Y151-I389 HydrophobicContact CD2-CD1 3.84Å; Y151-I389 HydrophobicContact CD2-CG2 4.1Å; Y151-I389 HydrophobicContact CE2-CG2 4.11Å; Y151-I389 HydrophobicContact CG-CD1 4.22Å; T265-I389 HydrophobicContact CG2-CG2 3.46Å; T265-I389 VanDerWaalsContact CG2-CG2 3.46Å; F267-I389 HydrophobicContact CD1-CD1 4.43Å; F267-I389 HydrophobicContact CD1-CG1 3.86Å; F267-I389 HydrophobicContact CE1-CD1 3.62Å; F267-I389 HydrophobicContact CE1-CG1 3.55Å; F267-I389 HydrophobicContact CZ-CD1 3.94Å; F267-I389 HydrophobicContact CZ-CG1 4.13Å; I389-Y400 HydrophobicContact CB-CD1 4.44Å; I389-Y400 HydrophobicContact CG2-CD1 4.16Å; I389-Y400 HydrophobicContact CG2-CG 4.35Å; I389-Y400 PolarHBondContact O-N 2.91Å; I389-G401 PolarHBondContact N-O 2.73Å; I389-G401 PolarHBondContact O-N 3.19Å; I389-L409 HydrophobicContact CD1-CD1 3.44Å; I389-L409 VanDerWaalsContact CD1-CD1 3.44Å
390L93.2Very high87Confident0 Ų037.5 Ų37.50%019%0.186CC..EExtended strand (participates in β ladder)trans-113.7139179.3-57.6179.5000110.1Q249 T265 T266 T268 P272 I388 F397 Q398 E399Q249-L390 HydrophobicContact CB-CD1 3.93Å; Q249-L390 HydrophobicContact CG-CD1 4.47Å; T265-L390 CarbonylContact C-O 3.43Å; T265-L390 VanDerWaalsContact CA-O 3.26Å; T265-L390 WeakPolarHBondContact CA-O 3.42Å; T265-L390 WeakPolarHBondContact CG2-O 3.36Å; T266-L390 HydrophobicContact CG2-CB 3.89Å; T266-L390 HydrophobicContact CG2-CD1 4.41Å; T266-L390 PolarHBondContact N-O 3.4Å; T266-L390 PolarHBondContact O-N 3.35Å; T268-L390 HydrophobicContact CG2-CD1 3.62Å; T268-L390 HydrophobicContact CG2-CG 3.98Å; P272-L390 HydrophobicContact CG-CD2 4.12Å; I388-L390 HydrophobicContact CG2-CD2 3.75Å; I388-L390 HydrophobicContact CG2-CG 4.38Å; L390-F397 HydrophobicContact CB-CB 4.17Å; L390-F397 HydrophobicContact CB-CD1 3.92Å; L390-F397 HydrophobicContact CB-CG 4.42Å; L390-F397 HydrophobicContact CD1-CB 4.21Å; L390-Q398 CarbonylContact C-O 3.53Å; L390-Q398 VanDerWaalsContact CA-O 3.27Å; L390-Q398 WeakPolarHBondContact CA-O 3.43Å; L390-E399 HydrophobicContact CD2-CB 4.47Å
391E91.4Very high87.2Confident20 Ų2037.4 Ų37.49%0.09319%0.185CC..EExtended strand (participates in β ladder)trans-117.9139.3173.6-174.9-170.8-134.700109.5I264 S393 F397 Q398 K413I264-E391 CarbonylContact O-C 3.57Å; I264-E391 WeakPolarHBondContact O-CA 3.41Å; E391-S393 PolarHBondContact O-N 3.02Å; E391-F397 WeakPolarHBondContact O-CA 3.44Å; E391-Q398 PolarHBondContact N-O 2.94Å; E391-Q398 PolarHBondContact O-N 3.33Å; E391-K413 IonicContact OE1-NZ 2.73Å; E391-K413 PolarHBondContact OE1-NZ 2.66Å; E391-K413 WeakPolarHBondContact OE2-CE 3.4Å; E391-K413 IonicContact OE2-NZ 2.69Å; E391-K413 PolarHBondContact OE2-NZ 2.67Å
392L89.5Confident87.5Confident42 Ų4236.5 Ų36.522%0.2218%0.183CC..EExtended strand (participates in β ladder)trans-73.5116.7176.5-178.370.3000110.6F256 I264 F397F256-L392 HydrophobicContact CB-CD1 4.44Å; F256-L392 HydrophobicContact CB-CD2 3.76Å; F256-L392 HydrophobicContact CD1-CD2 3.83Å; F256-L392 HydrophobicContact CG-CD1 4.37Å; F256-L392 HydrophobicContact CG-CD2 3.96Å; I264-L392 HydrophobicContact CB-CB 3.78Å; I264-L392 HydrophobicContact CB-CD2 3.99Å; I264-L392 HydrophobicContact CG1-CB 4.49Å; I264-L392 HydrophobicContact CG1-CD2 3.83Å; I264-L392 HydrophobicContact CG2-CB 4.44Å; I264-L392 PolarHBondContact O-N 3.09Å; L392-F397 HydrophobicContact CB-CD1 4.28Å; L392-F397 HydrophobicContact CB-CE1 3.95Å; L392-F397 HydrophobicContact CB-CZ 4.33Å; L392-F397 HydrophobicContact CD1-CD2 4.33Å; L392-F397 HydrophobicContact CD1-CE1 4.5Å; L392-F397 HydrophobicContact CD1-CE2 4.14Å; L392-F397 HydrophobicContact CD1-CZ 4.22Å
393S82Confident87.7Confident19 Ų1936.2 Ų36.213%0.13318%0.182CC..EExtended strand (participates in β ladder)trans-107.9177.3166.3173.80000110.3E391 N395 G396 E421E391-S393 PolarHBondContact O-N 3.02Å; S393-N395 PolarHBondContact O-N 3.32Å; S393-G396 PolarHBondContact N-O 3.16Å; S393-G396 PolarHBondContact O-N 3.26Å; S393-E421 PolarHBondContact OG-OE1 3.23Å
394R74.8Confident88.2Confident165 Ų16535 Ų3562%0.62317%0.173SC*.THydrogen-bonded Turntrans-58.9-29.1175.1-67-173.3-176.7-171.13.1113G396 S424R394-G396 VanDerWaalsContact C-N 3.26Å; R394-G396 PolarHBondContact O-N 3.42Å; R394-S424 VanDerWaalsContact NH2-C 3.27Å; R394-S424 PolarHBondContact NH2-O 3.48Å; R394-S424 PolarHBondContact NH2-OG 2.59Å
395N74.7Confident88.3Confident127 Ų12738 Ų3868%0.67919%0.186SC*.THydrogen-bonded Turntrans-90.916.3178.4-64.2-13.2000112.5S393S393-N395 PolarHBondContact O-N 3.32Å
396G81.8Confident88.4Confident27 Ų2743.9 Ų43.928%0.27822%0.218SC..EExtended strand (participates in β ladder)trans91.8-164.9-173.600000112.6S393 R394 Q398S393-G396 PolarHBondContact N-O 3.16Å; S393-G396 PolarHBondContact O-N 3.26Å; R394-G396 VanDerWaalsContact C-N 3.26Å; R394-G396 PolarHBondContact O-N 3.42Å; G396-Q398 PolarHBondContact O-N 2.73Å
397F87.4Confident88.4Confident19 Ų1948.4 Ų48.48%0.08324%0.236CC..EExtended strand (participates in β ladder)trans-69.4129.8-178.6-76.1-79.4000111.9V248 Q249 F256 I264 T266 N274 L390 E391 L392V248-F397 HydrophobicContact CG1-CE1 4.49Å; V248-F397 HydrophobicContact CG1-CE2 4.37Å; V248-F397 HydrophobicContact CG1-CZ 3.8Å; Q249-F397 HydrophobicContact CB-CD2 4.17Å; Q249-F397 HydrophobicContact CB-CG 4.44Å; F256-F397 HydrophobicContact CE1-CZ 4.11Å; F256-F397 AromaticContact CE2-CE2 3.88Å; F256-F397 HydrophobicContact CE2-CE2 3.88Å; F256-F397 HydrophobicContact CE2-CZ 4.27Å; F256-F397 AromaticContact CZ-CE2 3.85Å; F256-F397 HydrophobicContact CZ-CE2 3.85Å; F256-F397 AromaticContact CZ-CZ 3.8Å; F256-F397 HydrophobicContact CZ-CZ 3.8Å; I264-F397 HydrophobicContact CG2-CE1 4.33Å; I264-F397 HydrophobicContact CG2-CZ 4.33Å; T266-F397 HydrophobicContact CG2-CD1 4.09Å; T266-F397 HydrophobicContact CG2-CE1 3.85Å; T266-F397 HydrophobicContact CG2-CZ 4.45Å; N274-F397 PolarHBondContact ND2-O 3.01Å; L390-F397 HydrophobicContact CB-CB 4.17Å; L390-F397 HydrophobicContact CB-CD1 3.92Å; L390-F397 HydrophobicContact CB-CG 4.42Å; L390-F397 HydrophobicContact CD1-CB 4.21Å; E391-F397 WeakPolarHBondContact O-CA 3.44Å; L392-F397 HydrophobicContact CB-CD1 4.28Å; L392-F397 HydrophobicContact CB-CE1 3.95Å; L392-F397 HydrophobicContact CB-CZ 4.33Å; L392-F397 HydrophobicContact CD1-CD2 4.33Å; L392-F397 HydrophobicContact CD1-CE1 4.5Å; L392-F397 HydrophobicContact CD1-CE2 4.14Å; L392-F397 HydrophobicContact CD1-CZ 4.22Å
398Q86.7Confident88.4Confident79 Ų7949.1 Ų49.137%0.36924%0.244SC..EExtended strand (participates in β ladder)trans-121.7153.4175.9-65.5-171.6-9.300110.5L390 E391 G396 Y400L390-Q398 CarbonylContact C-O 3.53Å; L390-Q398 VanDerWaalsContact CA-O 3.27Å; L390-Q398 WeakPolarHBondContact CA-O 3.43Å; E391-Q398 PolarHBondContact N-O 2.94Å; E391-Q398 PolarHBondContact O-N 3.33Å; G396-Q398 PolarHBondContact O-N 2.73Å; Q398-Y400 PolarHBondContact O-N 3.19Å
399E89.4Confident88.3Confident79 Ų7950.4 Ų50.437%0.36925%0.251SS..EExtended strand (participates in β ladder)trans-67.7120.3177.8-172179.8137.600110.9I388 L390 H402 T412I388-E399 HydrophobicContact CG2-CG 3.93Å; L390-E399 HydrophobicContact CD2-CB 4.47Å; E399-H402 IonicContact OE1-ND1 3.26Å; E399-T412 PolarHBondContact OE1-OG1 3.05Å
400Y90Very high88.2Confident10 Ų1052.7 Ų52.74%0.03926%0.264CS..EExtended strand (participates in β ladder)trans-83.5-39.6170179.1-87000111Y151 A155 I389 Q398 V411 T412 K413Y151-Y400 HydrophobicContact CD2-CD1 4.35Å; Y151-Y400 HydrophobicContact CD2-CE1 4.1Å; Y151-Y400 AromaticContact CE2-CD1 3.98Å; Y151-Y400 HydrophobicContact CE2-CD1 3.98Å; Y151-Y400 AromaticContact CE2-CE1 3.75Å; Y151-Y400 HydrophobicContact CE2-CE1 3.75Å; Y151-Y400 HydrophobicContact CE2-CG 4.49Å; A155-Y400 HydrophobicContact CB-CE1 4.12Å; I389-Y400 HydrophobicContact CB-CD1 4.44Å; I389-Y400 HydrophobicContact CG2-CD1 4.16Å; I389-Y400 HydrophobicContact CG2-CG 4.35Å; I389-Y400 PolarHBondContact O-N 2.91Å; Q398-Y400 PolarHBondContact O-N 3.19Å; Y400-V411 HydrophobicContact CE1-CG1 4.01Å; Y400-V411 HydrophobicContact CE1-CG2 3.96Å; Y400-T412 PolarHBondContact O-N 2.49Å; Y400-K413 HydrophobicContact CD2-CB 4.27Å; Y400-K413 HydrophobicContact CD2-CD 3.45Å; Y400-K413 VanDerWaalsContact CD2-CD 3.45Å; Y400-K413 HydrophobicContact CD2-CG 4.49Å; Y400-K413 HydrophobicContact CE2-CD 3.67Å; Y400-K413 HydrophobicContact CG-CD 4.44Å; Y400-K413 WeakPolarHBondContact O-CB 3.36Å; Y400-K413 PolarHBondContact O-N 3.46Å
401G93.2Very high88.1Confident0 Ų055.5 Ų55.50%028%0.282CS..EExtended strand (participates in β ladder)trans175.5-178.9-173.600000111.4I389 V410 T412I389-G401 PolarHBondContact N-O 2.73Å; I389-G401 PolarHBondContact O-N 3.19Å; G401-V410 CarbonylContact C-O 3.49Å; G401-V410 WeakPolarHBondContact CA-O 3.25Å; G401-T412 WeakPolarHBondContact CA-OG1 3.38Å
402H93.7Very high87.8Confident31 Ų3157.8 Ų57.814%0.14430%0.297CS..EExtended strand (participates in β ladder)trans-133.9157.6173.159-87.9000111.1H386 L387 E399 V410H386-H402 AromaticContact NE2-CD2 3.52Å; H386-H402 AromaticContact NE2-CG 3.54Å; L387-H402 CarbonylContact O-C 3.58Å; L387-H402 VanDerWaalsContact O-CA 3.23Å; L387-H402 WeakPolarHBondContact O-CA 3.37Å; L387-H402 WeakPolarHBondContact O-CB 3.45Å; E399-H402 IonicContact OE1-ND1 3.26Å; H402-V410 PolarHBondContact N-O 3.21Å; H402-V410 PolarHBondContact O-N 2.81Å
403W94.4Very high87.4Confident0 Ų057.3 Ų57.30%029%0.293CS..EExtended strand (participates in β ladder)trans-130.6139.2178.2-174.6101.2000110.1A143 Q146 A147 D150 L387 M405 G408A143-W403 HydrophobicContact CB-CH2 4.09Å; A143-W403 HydrophobicContact CB-CZ3 4.02Å; A143-W403 VanDerWaalsContact O-CH2 3.25Å; A143-W403 WeakPolarHBondContact O-CH2 3.17Å; A143-W403 WeakPolarHBondContact O-CZ3 3.48Å; Q146-W403 HydrophobicContact CB-CH2 4.35Å; Q146-W403 HydrophobicContact CB-CZ2 3.93Å; Q146-W403 HydrophobicContact CG-CZ2 3.87Å; A147-W403 HydrophobicContact CB-CB 4.09Å; A147-W403 HydrophobicContact CB-CD2 3.38Å; A147-W403 HydrophobicContact CB-CE3 3.68Å; A147-W403 HydrophobicContact CB-CG 3.55Å; A147-W403 HydrophobicContact CB-CH2 4.49Å; A147-W403 HydrophobicContact CB-CZ2 4.29Å; A147-W403 HydrophobicContact CB-CZ3 4.23Å; D150-W403 PolarHBondContact OD2-NE1 2.9Å; L387-W403 HydrophobicContact CB-CB 4.4Å; L387-W403 HydrophobicContact CD1-CE3 3.79Å; L387-W403 HydrophobicContact CD1-CZ3 4.16Å; L387-W403 HydrophobicContact CG-CE3 4.09Å; L387-W403 PolarHBondContact N-O 2.83Å; L387-W403 PolarHBondContact O-N 3.48Å; W403-M405 HydrophobicContact CH2-CG 4.04Å; W403-M405 HydrophobicContact CH2-SD 3.41Å; W403-M405 WeakPolarHBondContact CH2-SD 3.46Å; W403-M405 HydrophobicContact CZ2-SD 4.24Å; W403-M405 HydrophobicContact CZ3-CG 4.21Å; W403-M405 HydrophobicContact CZ3-SD 4.13Å; W403-G408 WeakPolarHBondContact CA-O 3.39Å
404N91.2Very high87.1Confident16 Ų1660.8 Ų60.89%0.08631%0.31CS..EExtended strand (participates in β ladder)trans-147.5168.3170.259.652.5000110D406 K407 G408N404-D406 VanDerWaalsContact C-N 3.26Å; N404-D406 PolarHBondContact O-N 3.49Å; N404-D406 PolarHBondContact OD1-N 2.93Å; N404-K407 WeakPolarHBondContact OD1-CB 3.32Å; N404-K407 PolarHBondContact OD1-N 2.99Å; N404-G408 PolarHBondContact N-O 2.96Å; N404-G408 VanDerWaalsContact O-CA 3.27Å; N404-G408 WeakPolarHBondContact O-CA 3.45Å; N404-G408 PolarHBondContact O-N 2.95Å
405M85.3Confident87Confident96 Ų9658.7 Ų58.747%0.47331%0.306SS..THydrogen-bonded Turntrans-67.7-25.9-176.5-71.5-72.3-9700113.2A143 S383 W403A143-M405 HydrophobicContact CB-SD 4.25Å; S383-M405 VanDerWaalsContact O-CG 3.28Å; S383-M405 WeakPolarHBondContact O-CG 3.27Å; W403-M405 HydrophobicContact CH2-CG 4.04Å; W403-M405 HydrophobicContact CH2-SD 3.41Å; W403-M405 WeakPolarHBondContact CH2-SD 3.46Å; W403-M405 HydrophobicContact CZ2-SD 4.24Å; W403-M405 HydrophobicContact CZ3-CG 4.21Å; W403-M405 HydrophobicContact CZ3-SD 4.13Å
406D87.1Confident86.3Confident127 Ų12756.5 Ų56.568%0.67930%0.3SS*.THydrogen-bonded Turntrans-81.7-41.3-174.7-59.9-36000112.7N384 N404N384-D406 PolarHBondContact ND2-OD2 3.03Å; N404-D406 VanDerWaalsContact C-N 3.26Å; N404-D406 PolarHBondContact O-N 3.49Å; N404-D406 PolarHBondContact OD1-N 2.93Å
407K89.4Confident85.4Confident154 Ų15459.7 Ų59.767%0.6731%0.31SS*.THydrogen-bonded Turntrans-106.4-15.1-174.4-61-173.7180-179.50113.4N404 V410N404-K407 WeakPolarHBondContact OD1-CB 3.32Å; N404-K407 PolarHBondContact OD1-N 2.99Å; K407-V410 HydrophobicContact CB-CG2 3.92Å; K407-V410 HydrophobicContact CD-CG2 4.17Å
408G91.6Very high84.3Confident15 Ų1559.1 Ų59.116%0.15531%0.308CS..EExtended strand (participates in β ladder)trans65.4-145.2-165.900000111W403 N404W403-G408 WeakPolarHBondContact CA-O 3.39Å; N404-G408 PolarHBondContact N-O 2.96Å; N404-G408 VanDerWaalsContact O-CA 3.27Å; N404-G408 WeakPolarHBondContact O-CA 3.45Å; N404-G408 PolarHBondContact O-N 2.95Å
409L93.2Very high83.3Confident33 Ų3359.6 Ų59.617%0.17331%0.309CS..EExtended strand (participates in β ladder)trans-77.3124.3179.8-179.660.5000112.1D150 A155 I389 V411D150-L409 HydrophobicContact CB-CB 4.05Å; D150-L409 HydrophobicContact CB-CD2 4.48Å; A155-L409 HydrophobicContact CB-CD2 3.65Å; I389-L409 HydrophobicContact CD1-CD1 3.44Å; I389-L409 VanDerWaalsContact CD1-CD1 3.44Å; L409-V411 HydrophobicContact CG-CG2 4.38Å
410V93Very high82.2Confident47 Ų4761.9 Ų61.929%0.28532%0.32SS..EExtended strand (participates in β ladder)trans-118.5113.6171.6-177.90000108.8G401 H402 K407 T412G401-V410 CarbonylContact C-O 3.49Å; G401-V410 WeakPolarHBondContact CA-O 3.25Å; H402-V410 PolarHBondContact N-O 3.21Å; H402-V410 PolarHBondContact O-N 2.81Å; K407-V410 HydrophobicContact CB-CG2 3.92Å; K407-V410 HydrophobicContact CD-CG2 4.17Å; V410-T412 HydrophobicContact CG1-CG2 4.5Å
411V89.6Confident81.2Confident60 Ų6063.9 Ų63.936%0.36433%0.33SS..EExtended strand (participates in β ladder)trans-81.6122.4177.6-177.20000109.3Y400 L409 K413 F415Y400-V411 HydrophobicContact CE1-CG1 4.01Å; Y400-V411 HydrophobicContact CE1-CG2 3.96Å; L409-V411 HydrophobicContact CG-CG2 4.38Å; V411-K413 HydrophobicContact CG1-CB 4.17Å; V411-F415 HydrophobicContact CG1-CE2 3.92Å; V411-F415 HydrophobicContact CG1-CZ 3.88Å
412T86.3Confident80.2Confident68 Ų6867 Ų6742%0.41734%0.342SS..  trans-108.8-8.9178.854.50000112.7E399 Y400 G401 V410 N414E399-T412 PolarHBondContact OE1-OG1 3.05Å; Y400-T412 PolarHBondContact O-N 2.49Å; G401-T412 WeakPolarHBondContact CA-OG1 3.38Å; V410-T412 HydrophobicContact CG1-CG2 4.5Å; T412-N414 PolarHBondContact O-N 3.27Å
413K81.6Confident79Confident31 Ų3168.9 Ų68.914%0.13535%0.351CS..  trans-58.1130.1178-175.6170.4171.1-1770112.5E391 Y400 V411 F415 T418E391-K413 IonicContact OE1-NZ 2.73Å; E391-K413 PolarHBondContact OE1-NZ 2.66Å; E391-K413 WeakPolarHBondContact OE2-CE 3.4Å; E391-K413 IonicContact OE2-NZ 2.69Å; E391-K413 PolarHBondContact OE2-NZ 2.67Å; Y400-K413 HydrophobicContact CD2-CB 4.27Å; Y400-K413 HydrophobicContact CD2-CD 3.45Å; Y400-K413 VanDerWaalsContact CD2-CD 3.45Å; Y400-K413 HydrophobicContact CD2-CG 4.49Å; Y400-K413 HydrophobicContact CE2-CD 3.67Å; Y400-K413 HydrophobicContact CG-CD 4.44Å; Y400-K413 WeakPolarHBondContact O-CB 3.36Å; Y400-K413 PolarHBondContact O-N 3.46Å; V411-K413 HydrophobicContact CG1-CB 4.17Å; K413-F415 HydrophobicContact CD-CE1 4.33Å; K413-F415 WeakPolarHBondContact O-CD2 3.4Å; K413-F415 PolarHBondContact O-N 2.86Å; K413-T418 WeakPolarHBondContact CE-OG1 3.46Å
414N75.3Confident78Confident92 Ų9271 Ų7149%0.49237%0.365SS..  trans-86.198.9170.7-173.7-10.6000110.9T412 S416 L417T412-N414 PolarHBondContact O-N 3.27Å; N414-S416 PolarHBondContact O-N 3.5Å; N414-S416 VanDerWaalsContact O-N 3.08Å; N414-S416 WeakPolarHBondContact OD1-CB 3.48Å; N414-S416 PolarHBondContact OD1-N 2.81Å; N414-S416 PolarHBondContact OD1-OG 2.87Å; N414-S416 VanDerWaalsContact OD1-OG 3.12Å; N414-L417 HydrophobicContact CB-CD1 4.38Å; N414-L417 PolarHBondContact O-N 2.61Å; N414-L417 VanDerWaalsContact O-N 3.13Å
415F71.8Confident77.2Confident122 Ų12272.5 Ų72.554%0.53537%0.372SS..Hα-helixtrans-61-17.3-179.8-64.3-80.2000114.7V411 K413 L417 T418 K419V411-F415 HydrophobicContact CG1-CE2 3.92Å; V411-F415 HydrophobicContact CG1-CZ 3.88Å; K413-F415 HydrophobicContact CD-CE1 4.33Å; K413-F415 WeakPolarHBondContact O-CD2 3.4Å; K413-F415 PolarHBondContact O-N 2.86Å; F415-L417 VanDerWaalsContact C-N 3.31Å; F415-L417 PolarHBondContact O-N 3.15Å; F415-T418 WeakPolarHBondContact O-CB 3.39Å; F415-T418 PolarHBondContact O-N 3.16Å; F415-K419 PolarHBondContact O-N 3.12Å; F415-K419 VanDerWaalsContact O-N 3.1Å
416S60.1Low77Confident80 Ų8068 Ų6856%0.55935%0.35SS*.Hα-helixtrans-65.1-35.6175.3-51.80000112.2N414N414-S416 PolarHBondContact O-N 3.5Å; N414-S416 VanDerWaalsContact O-N 3.08Å; N414-S416 WeakPolarHBondContact OD1-CB 3.48Å; N414-S416 PolarHBondContact OD1-N 2.81Å; N414-S416 PolarHBondContact OD1-OG 2.87Å; N414-S416 VanDerWaalsContact OD1-OG 3.12Å
417L63.1Low76.8Confident94 Ų9467.7 Ų67.749%0.49234%0.343SS..Hα-helixtrans-70.7-39.9175.2-68.4171.2000110.6N414 F415 K419 Q420 E421N414-L417 HydrophobicContact CB-CD1 4.38Å; N414-L417 PolarHBondContact O-N 2.61Å; N414-L417 VanDerWaalsContact O-N 3.13Å; F415-L417 VanDerWaalsContact C-N 3.31Å; F415-L417 PolarHBondContact O-N 3.15Å; L417-K419 VanDerWaalsContact C-N 3.25Å; L417-K419 PolarHBondContact O-N 2.83Å; L417-Q420 WeakPolarHBondContact O-CB 3.06Å; L417-Q420 PolarHBondContact O-N 3.16Å; L417-E421 PolarHBondContact O-N 2.8Å
418T64.1Low76.5Confident7 Ų763.2 Ų63.24%0.04334%0.34CS..Hα-helixtrans-59-37.2177.1-46.70000112K413 F415 Q420 E421 Y422K413-T418 WeakPolarHBondContact CE-OG1 3.46Å; F415-T418 WeakPolarHBondContact O-CB 3.39Å; F415-T418 PolarHBondContact O-N 3.16Å; T418-Q420 PolarHBondContact O-N 2.87Å; T418-E421 WeakPolarHBondContact O-CB 3.34Å; T418-E421 PolarHBondContact O-N 2.88Å; T418-Y422 HydrophobicContact CG2-CD1 4.47Å; T418-Y422 HydrophobicContact CG2-CD2 4.44Å; T418-Y422 HydrophobicContact CG2-CE1 3.81Å; T418-Y422 HydrophobicContact CG2-CE2 3.77Å; T418-Y422 VanDerWaalsContact CG2-CZ 3.41Å; T418-Y422 WeakPolarHBondContact CG2-OH 3.27Å; T418-Y422 PolarHBondContact O-N 3.33Å
419K65.4Low76.2Confident89 Ų8966.5 Ų66.539%0.38735%0.35SS..Hα-helixtrans-60.1-45173.1-176.2179.4177.2179.10112.2F415 L417 E421 Y422 Q423 E783F415-K419 PolarHBondContact O-N 3.12Å; F415-K419 VanDerWaalsContact O-N 3.1Å; L417-K419 VanDerWaalsContact C-N 3.25Å; L417-K419 PolarHBondContact O-N 2.83Å; K419-E421 VanDerWaalsContact C-N 3.31Å; K419-Y422 PolarHBondContact O-N 3.47Å; K419-Q423 PolarHBondContact O-N 2.91Å; K419-Q423 VanDerWaalsContact O-N 3.17Å; K419-E783 WeakPolarHBondContact CE-OE2 3.38Å; K419-E783 IonicContact NZ-OE1 3.1Å; K419-E783 PolarHBondContact NZ-OE1 2.91Å; K419-E783 IonicContact NZ-OE2 3.13Å; K419-E783 PolarHBondContact NZ-OE2 3.26Å
420Q67.1Low76.1Confident128 Ų12869 Ų6960%0.59837%0.367SS*.Hα-helixtrans-66.3-36.4176.8-65.6179.9-3.700111.3L417 T418 Q423 S424L417-Q420 WeakPolarHBondContact O-CB 3.06Å; L417-Q420 PolarHBondContact O-N 3.16Å; T418-Q420 PolarHBondContact O-N 2.87Å; Q420-Q423 PolarHBondContact O-N 3.16Å; Q420-S424 VanDerWaalsContact O-CB 3.31Å; Q420-S424 WeakPolarHBondContact O-CB 3.4Å; Q420-S424 PolarHBondContact O-N 2.83Å
421E69.4Low76.2Confident52 Ų5267 Ų6724%0.24335%0.354CS..Hα-helixtrans-62-49.2174.4-72.6178.3150.300111.4S393 L417 T418 K419 Q423 S424 E425S393-E421 PolarHBondContact OG-OE1 3.23Å; L417-E421 PolarHBondContact O-N 2.8Å; T418-E421 WeakPolarHBondContact O-CB 3.34Å; T418-E421 PolarHBondContact O-N 2.88Å; K419-E421 VanDerWaalsContact C-N 3.31Å; E421-Q423 VanDerWaalsContact C-N 3.32Å; E421-Q423 PolarHBondContact O-N 3.23Å; E421-S424 WeakPolarHBondContact CA-OG 3.4Å; E421-S424 CarbonylContact O-C 3.56Å; E421-S424 WeakPolarHBondContact O-CA 3.41Å; E421-S424 WeakPolarHBondContact O-CB 3.28Å; E421-S424 PolarHBondContact O-N 2.77Å; E421-S424 PolarHBondContact O-OG 3.32Å; E421-E425 WeakPolarHBondContact O-CG 3.35Å; E421-E425 PolarHBondContact O-N 3.07Å
422Y71.5Confident76.4Confident64 Ų6468.5 Ų68.525%0.25135%0.353SS..Hα-helixtrans-58.6-42.8177.9-64.3-22.9000112.4T418 K419 S424 E425 L426 K776T418-Y422 HydrophobicContact CG2-CD1 4.47Å; T418-Y422 HydrophobicContact CG2-CD2 4.44Å; T418-Y422 HydrophobicContact CG2-CE1 3.81Å; T418-Y422 HydrophobicContact CG2-CE2 3.77Å; T418-Y422 VanDerWaalsContact CG2-CZ 3.41Å; T418-Y422 WeakPolarHBondContact CG2-OH 3.27Å; T418-Y422 PolarHBondContact O-N 3.33Å; K419-Y422 PolarHBondContact O-N 3.47Å; Y422-S424 VanDerWaalsContact C-N 3.33Å; Y422-S424 PolarHBondContact O-N 2.99Å; Y422-E425 PolarHBondContact O-N 3.47Å; Y422-L426 WeakPolarHBondContact O-CB 3.42Å; Y422-L426 PolarHBondContact O-N 2.99Å; Y422-K776 HydrophobicContact CD1-CB 4.45Å; Y422-K776 HydrophobicContact CD1-CD 3.95Å; Y422-K776 HydrophobicContact CE1-CB 4.4Å; Y422-K776 HydrophobicContact CE1-CD 4.08Å
423Q69.4Low76.9Confident71 Ų7165.3 Ų65.333%0.33233%0.333SS..Hα-helixtrans-62.8-40.6173.1-71.7-178.9-19.800111.7K419 Q420 E421 E425 L426 K427 P780K419-Q423 PolarHBondContact O-N 2.91Å; K419-Q423 VanDerWaalsContact O-N 3.17Å; Q420-Q423 PolarHBondContact O-N 3.16Å; E421-Q423 VanDerWaalsContact C-N 3.32Å; E421-Q423 PolarHBondContact O-N 3.23Å; Q423-E425 VanDerWaalsContact C-N 3.31Å; Q423-E425 PolarHBondContact O-N 3.41Å; Q423-L426 PolarHBondContact O-N 3.25Å; Q423-K427 PolarHBondContact O-N 3.33Å; Q423-K427 VanDerWaalsContact O-N 3.12Å; Q423-P780 HydrophobicContact CG-CB 4.46Å
424S72.1Confident77.6Confident44 Ų4463.8 Ų63.831%0.30833%0.327SS..Hα-helixtrans-69.6-25.1177.9830000113.9R394 Q420 E421 Y422R394-S424 VanDerWaalsContact NH2-C 3.27Å; R394-S424 PolarHBondContact NH2-O 3.48Å; R394-S424 PolarHBondContact NH2-OG 2.59Å; Q420-S424 VanDerWaalsContact O-CB 3.31Å; Q420-S424 WeakPolarHBondContact O-CB 3.4Å; Q420-S424 PolarHBondContact O-N 2.83Å; E421-S424 WeakPolarHBondContact CA-OG 3.4Å; E421-S424 CarbonylContact O-C 3.56Å; E421-S424 WeakPolarHBondContact O-CA 3.41Å; E421-S424 WeakPolarHBondContact O-CB 3.28Å; E421-S424 PolarHBondContact O-N 2.77Å; E421-S424 PolarHBondContact O-OG 3.32Å; Y422-S424 VanDerWaalsContact C-N 3.33Å; Y422-S424 PolarHBondContact O-N 2.99Å
425E75.2Confident78.6Confident49 Ų4959.4 Ų59.423%0.22930%0.304CS..Hα-helixtrans-81.7-32.3174.8-72.8-177.9128.500112.4E421 Y422 Q423 K427 K429 K776E421-E425 WeakPolarHBondContact O-CG 3.35Å; E421-E425 PolarHBondContact O-N 3.07Å; Y422-E425 PolarHBondContact O-N 3.47Å; Q423-E425 VanDerWaalsContact C-N 3.31Å; Q423-E425 PolarHBondContact O-N 3.41Å; E425-K427 VanDerWaalsContact C-N 3.31Å; E425-K429 WeakPolarHBondContact O-CG 3.27Å; E425-K776 IonicContact OE1-NZ 3.43Å; E425-K776 PolarHBondContact OE1-NZ 3.15Å; E425-K776 VanDerWaalsContact OE1-NZ 3.11Å; E425-K776 WeakPolarHBondContact OE2-CE 3.39Å; E425-K776 IonicContact OE2-NZ 3.9Å; E425-K776 PolarHBondContact OE2-NZ 2.77Å
426L81.1Confident79.5Confident0 Ų055.2 Ų55.20%029%0.286CS..Hα-helixtrans-69.9-34175.6-173.159.7000111Y422 Q423 G428 K429 L431 L476 F478 Y777Y422-L426 WeakPolarHBondContact O-CB 3.42Å; Y422-L426 PolarHBondContact O-N 2.99Å; Q423-L426 PolarHBondContact O-N 3.25Å; L426-G428 PolarHBondContact O-N 3.18Å; L426-K429 WeakPolarHBondContact O-CB 3.31Å; L426-K429 PolarHBondContact O-N 2.75Å; L426-L431 HydrophobicContact CD1-CD1 4.03Å; L426-L431 HydrophobicContact CD1-CD2 4.28Å; L426-L431 HydrophobicContact CD1-CG 4.44Å; L426-L476 HydrophobicContact CD2-CB 3.75Å; L426-L476 HydrophobicContact CD2-CD1 3.72Å; L426-L476 HydrophobicContact CD2-CG 4.21Å; L426-L476 HydrophobicContact CG-CB 4.48Å; L426-F478 HydrophobicContact CD1-CB 4.21Å; L426-F478 HydrophobicContact CD1-CD1 4.09Å; L426-F478 HydrophobicContact CD1-CG 4.31Å; L426-F478 HydrophobicContact CD2-CD1 3.96Å; L426-F478 HydrophobicContact CD2-CE1 4.38Å; L426-F478 HydrophobicContact CG-CB 4.2Å; L426-F478 HydrophobicContact CG-CD1 3.87Å; L426-F478 HydrophobicContact CG-CG 4.39Å; L426-F478 WeakPolarHBondContact O-CB 3.36Å; L426-Y777 HydrophobicContact CB-CD1 4.4Å; L426-Y777 HydrophobicContact CB-CE1 4.12Å; L426-Y777 HydrophobicContact CD1-CD1 3.88Å; L426-Y777 HydrophobicContact CD1-CD2 4.15Å; L426-Y777 HydrophobicContact CD1-CE1 3.81Å; L426-Y777 HydrophobicContact CD1-CE2 4.06Å; L426-Y777 HydrophobicContact CD1-CG 4.05Å; L426-Y777 HydrophobicContact CD2-CD1 4.43Å; L426-Y777 HydrophobicContact CG-CD1 4.48Å; L426-Y777 HydrophobicContact CG-CE1 4.48Å
427K83.5Confident81Confident122 Ų12255.7 Ų55.753%0.5328%0.279SS..THydrogen-bonded Turntrans-55121.2176.6-176.8169.7-180158.70112Q423 E425 K429 Q477Q423-K427 PolarHBondContact O-N 3.33Å; Q423-K427 VanDerWaalsContact O-N 3.12Å; E425-K427 VanDerWaalsContact C-N 3.31Å; K427-K429 VanDerWaalsContact C-N 3.3Å; K427-K429 PolarHBondContact O-N 3.02Å; K427-Q477 WeakPolarHBondContact CA-O 3.48Å; K427-Q477 HydrophobicContact CB-CB 4.42Å; K427-Q477 HydrophobicContact CD-CB 4.41Å; K427-Q477 HydrophobicContact CG-CB 3.89Å
428G81.8Confident82.3Confident59 Ų5953.1 Ų53.161%0.60827%0.265SS*.THydrogen-bonded Turntrans79.9-1.7179.700000115.6L426 Q477L426-G428 PolarHBondContact O-N 3.18Å; G428-Q477 PolarHBondContact N-O 2.92Å
429K85.7Confident83.7Confident84 Ų8458.5 Ų58.537%0.36529%0.287SS..  trans-68.6153.1172-75.3-89-175.5168.10110.9E425 L426 K427 L431 T479E425-K429 WeakPolarHBondContact O-CG 3.27Å; L426-K429 WeakPolarHBondContact O-CB 3.31Å; L426-K429 PolarHBondContact O-N 2.75Å; K427-K429 VanDerWaalsContact C-N 3.3Å; K427-K429 PolarHBondContact O-N 3.02Å; K429-L431 HydrophobicContact CB-CD2 4.42Å; K429-T479 PolarHBondContact O-N 3.28Å; K429-T479 VanDerWaalsContact O-O 3.12Å; K429-T479 PolarHBondContact O-OG1 2.86Å; K429-T479 VanDerWaalsContact O-OG1 3.12Å
430V91.9Very high85Confident87 Ų8754.3 Ų54.353%0.52727%0.269SS..EExtended strand (participates in β ladder)trans-105.7106.5169.1-172.50000108T479 T481V430-T479 CarbonylContact C-O 3.5Å; V430-T479 VanDerWaalsContact CA-O 3.23Å; V430-T479 WeakPolarHBondContact CA-O 3.44Å; V430-T479 WeakPolarHBondContact CG2-OG1 3.45Å; V430-T481 HydrophobicContact CG1-CG2 4Å
431L93.6Very high86.4Confident4 Ų448.2 Ų48.22%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-87.1136.9178.5-59.5-172.9000111.5L426 K429 F478 T479 Y480 T481 D515 L516 Y777L426-L431 HydrophobicContact CD1-CD1 4.03Å; L426-L431 HydrophobicContact CD1-CD2 4.28Å; L426-L431 HydrophobicContact CD1-CG 4.44Å; K429-L431 HydrophobicContact CB-CD2 4.42Å; L431-F478 HydrophobicContact CB-CD2 4.43Å; L431-F478 HydrophobicContact CD1-CD1 4.49Å; L431-F478 HydrophobicContact CD1-CD2 3.77Å; L431-F478 HydrophobicContact CD1-CE1 4.48Å; L431-F478 HydrophobicContact CD1-CE2 3.8Å; L431-F478 HydrophobicContact CD1-CG 4.14Å; L431-F478 HydrophobicContact CD1-CZ 4.17Å; L431-F478 HydrophobicContact CG-CD2 3.95Å; L431-F478 HydrophobicContact CG-CE2 4.37Å; L431-F478 HydrophobicContact CG-CG 4.39Å; L431-T479 PolarHBondContact N-O 3.49Å; L431-Y480 CarbonylContact O-C 3.54Å; L431-Y480 WeakPolarHBondContact O-CA 3.43Å; L431-Y480 WeakPolarHBondContact O-CB 3.3Å; L431-T481 PolarHBondContact O-N 2.81Å; L431-T481 PolarHBondContact O-OG1 2.91Å; L431-D515 HydrophobicContact CB-CB 4.38Å; L431-D515 HydrophobicContact CD2-CB 4.27Å; L431-L516 HydrophobicContact CD1-CD1 3.65Å; L431-L516 HydrophobicContact CD1-CG 4.15Å; L431-Y777 HydrophobicContact CD2-CD2 4.36Å; L431-Y777 HydrophobicContact CD2-CE2 3.95Å
432R94.4Very high87.6Confident92 Ų9245.8 Ų45.835%0.34723%0.229SC..EExtended strand (participates in β ladder)trans-90.2112.9175.2-59.6165.7-64.7159.37.1109R512 R513 D515 L516R432-R512 PolarHBondContact NH1-O 3Å; R432-R512 PolarHBondContact NH2-O 2.89Å; R432-R513 VanDerWaalsContact CZ-O 3.29Å; R432-R513 PolarHBondContact NH1-O 2.94Å; R432-D515 WeakPolarHBondContact CB-OD2 3.31Å; R432-D515 IonicContact CZ-OD1 3.38Å; R432-D515 IonicContact CZ-OD2 3.15Å; R432-D515 PolarHBondContact N-OD2 2.77Å; R432-D515 IonicContact NE-OD1 3.74Å; R432-D515 IonicContact NE-OD2 3.36Å; R432-D515 PolarHBondContact NE-OD2 2.89Å; R432-D515 IonicContact NH2-OD1 3.39Å; R432-D515 PolarHBondContact NH2-OD1 3.32Å; R432-D515 IonicContact NH2-OD2 3.26Å; R432-D515 PolarHBondContact O-N 2.99Å; R432-L516 PolarHBondContact O-N 3.48Å
433I96.4Very high88.6Confident0 Ų043.5 Ų43.50%022%0.221CC..EExtended strand (participates in β ladder)trans-100.2121.5-179.3-55-173.8000108.3L469 Y480 T481 I482 N483 L516 V518I433-L469 HydrophobicContact CD1-CD1 3.45Å; I433-L469 VanDerWaalsContact CD1-CD1 3.45Å; I433-L469 HydrophobicContact CD1-CD2 3.43Å; I433-L469 VanDerWaalsContact CD1-CD2 3.43Å; I433-L469 HydrophobicContact CD1-CG 4.02Å; I433-L469 HydrophobicContact CG2-CD1 4.3Å; I433-Y480 HydrophobicContact CD1-CD1 4.48Å; I433-Y480 HydrophobicContact CD1-CD2 3.43Å; I433-Y480 VanDerWaalsContact CD1-CD2 3.43Å; I433-Y480 HydrophobicContact CD1-CE2 4.18Å; I433-Y480 HydrophobicContact CD1-CG 3.59Å; I433-Y480 HydrophobicContact CG1-CD2 4.27Å; I433-Y480 HydrophobicContact CG1-CG 4.44Å; I433-T481 WeakPolarHBondContact CB-O 3.35Å; I433-T481 PolarHBondContact N-O 3.07Å; I433-I482 HydrophobicContact CB-CD1 4.04Å; I433-I482 HydrophobicContact CD1-CD1 4.3Å; I433-I482 HydrophobicContact CG2-CD1 4.19Å; I433-N483 PolarHBondContact O-N 3.29Å; I433-L516 CarbonylContact C-O 3.56Å; I433-L516 VanDerWaalsContact CA-O 3.31Å; I433-L516 WeakPolarHBondContact CA-O 3.14Å; I433-L516 HydrophobicContact CD1-CD1 4.38Å; I433-L516 HydrophobicContact CG1-CB 4.26Å; I433-L516 HydrophobicContact CG1-CD1 4.4Å; I433-V518 HydrophobicContact CG2-CB 4.02Å; I433-V518 HydrophobicContact CG2-CG2 3.82Å
434T96.7Very high89.7Confident0 Ų042.2 Ų42.20%021%0.213CC..EExtended strand (participates in β ladder)trans-89.4141.8167.5-169.40000110.1N483 M505 E508 A514 L516 A517 V518T434-N483 CarbonylContact C-O 3.58Å; T434-N483 WeakPolarHBondContact CA-O 3.46Å; T434-M505 HydrophobicContact CG2-CB 3.83Å; T434-M505 HydrophobicContact CG2-CG 3.79Å; T434-M505 HydrophobicContact CG2-SD 4.08Å; T434-E508 WeakPolarHBondContact CB-OE2 3.39Å; T434-E508 HydrophobicContact CG2-CB 4.42Å; T434-E508 PolarHBondContact OG1-OE2 3.26Å; T434-A514 HydrophobicContact CG2-CB 3.49Å; T434-A514 VanDerWaalsContact CG2-CB 3.49Å; T434-L516 PolarHBondContact N-O 2.95Å; T434-A517 HydrophobicContact CG2-CB 3.64Å; T434-A517 WeakPolarHBondContact O-CA 3.47Å; T434-V518 PolarHBondContact O-N 3.34Å; T434-V518 VanDerWaalsContact O-N 3.15Å
435T95.7Very high90.5Very high0 Ų045.8 Ų45.80%022%0.224CC..EExtended strand (participates in β ladder)trans-155.7167.5-175.8-162.60000112.9M442 I482 N483 L484 V485 M505 V518T435-M442 HydrophobicContact CG2-CE 3.57Å; T435-M442 WeakPolarHBondContact OG1-CE 3.5Å; T435-M442 WeakPolarHBondContact OG1-CG 3.44Å; T435-I482 HydrophobicContact CG2-CG2 3.69Å; T435-N483 PolarHBondContact N-O 2.87Å; T435-L484 HydrophobicContact CG2-CD2 3.97Å; T435-L484 WeakPolarHBondContact O-CA 3.35Å; T435-V485 PolarHBondContact O-N 3.45Å; T435-M505 WeakPolarHBondContact CA-SD 3.49Å; T435-V518 WeakPolarHBondContact CB-O 3.38Å; T435-V518 PolarHBondContact OG1-O 2.9Å
436Q91.5Very high90.6Very high34 Ų3444.6 Ų44.616%0.15922%0.224CC..  trans-113.6137.6171.4-176.386.412.800108.6E438 M442 S488 Y490Q436-E438 PolarHBondContact O-N 3.31Å; Q436-M442 WeakPolarHBondContact O-CB 3.26Å; Q436-S488 VanDerWaalsContact CD-C 3.49Å; Q436-S488 VanDerWaalsContact CD-O 3.27Å; Q436-S488 PolarHBondContact NE2-O 2.72Å; Q436-S488 PolarHBondContact OE1-O 3.21Å; Q436-Y490 HydrophobicContact CB-CE1 4.26Å; Q436-Y490 HydrophobicContact CG-CE2 4.29Å
437E91Very high90.4Very high90 Ų9054.5 Ų54.542%0.42127%0.267SS..  trans-72.9114169.4-174.5176.2-147.700110.3K454 L484E437-K454 IonicContact OE1-NZ 3.3Å; E437-K454 PolarHBondContact OE1-NZ 3.48Å; E437-K454 IonicContact OE2-NZ 2.8Å; E437-K454 PolarHBondContact OE2-NZ 3.31Å; E437-L484 HydrophobicContact CB-CD2 4.21Å
438E91Very high90Very high40 Ų4051.7 Ų51.719%0.18726%0.26CS..BIsolated β-bridgetrans-152.8128.8179.5-173.7161.6-143.800110.4Q436 Y441 M442 Y490 S520 M744Q436-E438 PolarHBondContact O-N 3.31Å; E438-Y441 HydrophobicContact CB-CD2 4.5Å; E438-Y441 HydrophobicContact CG-CD2 4.22Å; E438-Y441 PolarHBondContact O-N 3.26Å; E438-M442 PolarHBondContact N-O 2.86Å; E438-M442 PolarHBondContact O-N 3.05Å; E438-Y490 PolarHBondContact OE2-OH 2.77Å; E438-S520 PolarHBondContact OE2-OG 3.23Å; E438-M744 HydrophobicContact CG-CE 3.68Å; E438-M744 WeakPolarHBondContact OE1-CE 3.31Å
439K92.5Very high89.6Confident120 Ų12054.1 Ų54.152%0.52226%0.259SS..THydrogen-bonded Turntrans-77.7138.6179.2-58-170.3174.9-173.60110.5M443 M744 Y747K439-M443 HydrophobicContact CB-CG 4.47Å; K439-M443 HydrophobicContact CB-SD 4.07Å; K439-M443 HydrophobicContact CD-SD 4.23Å; K439-M443 HydrophobicContact CG-CG 3.97Å; K439-M443 HydrophobicContact CG-SD 3.75Å; K439-M744 WeakPolarHBondContact O-CE 3.5Å; K439-Y747 HydrophobicContact CB-CE1 4.12Å
440P94.4Very high89.1Confident1 Ų156.5 Ų56.51%0.00628%0.283CS..THydrogen-bonded Turncis-95.417.1-438.5-35.6000114M443 G463 F464 Y747 W801 W802P440-M443 HydrophobicContact CB-CE 4.38Å; P440-G463 CarbonylContact O-C 3.17Å; P440-G463 WeakPolarHBondContact O-CA 3.43Å; P440-F464 PolarHBondContact O-N 3Å; P440-Y747 HydrophobicContact CB-CD2 3.82Å; P440-Y747 HydrophobicContact CB-CE2 3.53Å; P440-Y747 HydrophobicContact CG-CD2 3.48Å; P440-Y747 VanDerWaalsContact CG-CD2 3.48Å; P440-Y747 HydrophobicContact CG-CE2 3.77Å; P440-Y747 HydrophobicContact CG-CG 4.22Å; P440-W801 HydrophobicContact CB-CB 4.4Å; P440-W802 HydrophobicContact CG-CD2 4.03Å; P440-W802 HydrophobicContact CG-CE3 3.98Å; P440-W802 HydrophobicContact CG-CH2 3.52Å; P440-W802 HydrophobicContact CG-CZ2 3.55Å; P440-W802 HydrophobicContact CG-CZ3 3.75Å
441Y95.6Very high88.4Confident0 Ų056.5 Ų56.50%030%0.301CS..THydrogen-bonded Turntrans-72.3-54.6-172.9-56.8-81.7000111.8E438 G463 F464 C465 S520 M538 T743 M744 Y767 W802E438-Y441 HydrophobicContact CB-CD2 4.5Å; E438-Y441 HydrophobicContact CG-CD2 4.22Å; E438-Y441 PolarHBondContact O-N 3.26Å; Y441-G463 CarbonylContact O-C 3.51Å; Y441-G463 VanDerWaalsContact O-C 3.32Å; Y441-G463 WeakPolarHBondContact O-CA 2.92Å; Y441-F464 PolarHBondContact O-N 3.38Å; Y441-C465 WeakPolarHBondContact O-CB 3.24Å; Y441-C465 PolarHBondContact O-N 3.35Å; Y441-S520 WeakPolarHBondContact CD2-OG 2.95Å; Y441-M538 HydrophobicContact CE1-SD 4.35Å; Y441-T743 WeakPolarHBondContact OH-CB 3.35Å; Y441-T743 PolarHBondContact OH-OG1 2.91Å; Y441-M744 HydrophobicContact CE2-CE 3.86Å; Y441-Y767 HydrophobicContact CE1-CD2 4.14Å; Y441-Y767 AromaticContact CE1-CE2 3.73Å; Y441-Y767 HydrophobicContact CE1-CE2 3.73Å; Y441-Y767 AromaticContact CZ-CE2 3.76Å; Y441-Y767 WeakPolarHBondContact OH-CE2 3.31Å; Y441-Y767 PolarHBondContact OH-OH 3.36Å; Y441-W802 HydrophobicContact CD1-CH2 4.06Å; Y441-W802 AromaticContact CE1-CH2 3.55Å; Y441-W802 HydrophobicContact CE1-CH2 3.55Å; Y441-W802 AromaticContact CE1-CZ2 3.83Å; Y441-W802 HydrophobicContact CE1-CZ2 3.83Å; Y441-W802 HydrophobicContact CE2-CZ2 4.45Å; Y441-W802 AromaticContact CZ-CH2 3.91Å; Y441-W802 AromaticContact CZ-CZ2 3.7Å
442M94.6Very high87.7Confident0 Ų062.3 Ų62.30%033%0.328CS..BIsolated β-bridgetrans-140.7113.4-172.7-65-67.4-77.100109.4T435 Q436 E438 C465 I466 I482T435-M442 HydrophobicContact CG2-CE 3.57Å; T435-M442 WeakPolarHBondContact OG1-CE 3.5Å; T435-M442 WeakPolarHBondContact OG1-CG 3.44Å; Q436-M442 WeakPolarHBondContact O-CB 3.26Å; E438-M442 PolarHBondContact N-O 2.86Å; E438-M442 PolarHBondContact O-N 3.05Å; M442-C465 HydrophobicContact CG-CB 3.86Å; M442-C465 HydrophobicContact SD-CB 3.37Å; M442-C465 WeakPolarHBondContact SD-CB 3.49Å; M442-I466 HydrophobicContact CE-CD1 3.49Å; M442-I466 VanDerWaalsContact CE-CD1 3.49Å; M442-I466 HydrophobicContact CE-CG1 4.18Å; M442-I466 HydrophobicContact SD-CD1 3.67Å; M442-I466 HydrophobicContact SD-CG1 3.72Å; M442-I482 HydrophobicContact CE-CD1 3.92Å; M442-I482 HydrophobicContact CE-CG2 4.08Å
443M93.3Very high87.1Confident17 Ų1763.7 Ų63.78%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-133.8132.9-173.5-60.6-177.8-74.700110K439 P440 W461 E462 W801K439-M443 HydrophobicContact CB-CG 4.47Å; K439-M443 HydrophobicContact CB-SD 4.07Å; K439-M443 HydrophobicContact CD-SD 4.23Å; K439-M443 HydrophobicContact CG-CG 3.97Å; K439-M443 HydrophobicContact CG-SD 3.75Å; P440-M443 HydrophobicContact CB-CE 4.38Å; M443-W461 CarbonylContact O-C 3.49Å; M443-W461 WeakPolarHBondContact O-CA 3.46Å; M443-E462 HydrophobicContact CB-CG 4.05Å; M443-E462 HydrophobicContact CE-CG 4.16Å; M443-E462 PolarHBondContact N-O 3.43Å; M443-E462 PolarHBondContact O-N 3.15Å; M443-W801 HydrophobicContact CE-CE3 3.91Å; M443-W801 HydrophobicContact CE-CH2 4.47Å; M443-W801 HydrophobicContact CE-CZ3 3.59Å
444Y92.5Very high86.7Confident43 Ų4366.5 Ų66.517%0.16936%0.361CS..EExtended strand (participates in β ladder)trans-84.2124.6177.5-170.8-115.5000111.1G446 T448 K454 S455 D460 W461Y444-G446 VanDerWaalsContact CD1-O 3.23Å; Y444-G446 WeakPolarHBondContact CD1-O 3.42Å; Y444-G446 WeakPolarHBondContact CE1-O 3.4Å; Y444-T448 WeakPolarHBondContact CE1-OG1 3.39Å; Y444-K454 HydrophobicContact CD1-CD 3.93Å; Y444-K454 HydrophobicContact CD1-CG 4.15Å; Y444-K454 HydrophobicContact CD2-CB 4.27Å; Y444-K454 HydrophobicContact CD2-CD 4.21Å; Y444-K454 HydrophobicContact CD2-CG 4.5Å; Y444-K454 HydrophobicContact CE1-CB 4.44Å; Y444-K454 HydrophobicContact CE1-CD 4.42Å; Y444-K454 HydrophobicContact CE1-CG 4.13Å; Y444-K454 HydrophobicContact CE2-CB 4.04Å; Y444-K454 HydrophobicContact CG-CD 3.81Å; Y444-K454 HydrophobicContact CG-CG 4.33Å; Y444-S455 PolarHBondContact OH-N 2.8Å; Y444-D460 WeakPolarHBondContact CD2-O 3.35Å; Y444-D460 HydrophobicContact CE2-CB 3.78Å; Y444-W461 AromaticContact CD2-CD2 3.87Å; Y444-W461 HydrophobicContact CD2-CD2 3.87Å; Y444-W461 AromaticContact CD2-CE2 3.57Å; Y444-W461 HydrophobicContact CD2-CE3 4.26Å; Y444-W461 HydrophobicContact CD2-CG 4.39Å; Y444-W461 HydrophobicContact CD2-CH2 4.1Å; Y444-W461 AromaticContact CD2-CZ2 3.7Å; Y444-W461 HydrophobicContact CD2-CZ2 3.7Å; Y444-W461 HydrophobicContact CD2-CZ3 4.37Å; Y444-W461 AromaticContact CD2-NE1 3.91Å; Y444-W461 HydrophobicContact CE2-CZ2 4.3Å
445K87.9Confident86.3Confident120 Ų12068.2 Ų68.252%0.52237%0.373SS..  trans-86.6-27.7175.8-69.6175.7132.6127.30112.9D460 E462K445-D460 WeakPolarHBondContact CB-O 3.06Å; K445-D460 PolarHBondContact N-O 2.95Å; K445-E462 HydrophobicContact CD-CB 3.76Å; K445-E462 HydrophobicContact CD-CG 4.05Å; K445-E462 WeakPolarHBondContact CE-OE2 3.41Å; K445-E462 HydrophobicContact CG-CB 3.91Å; K445-E462 HydrophobicContact CG-CG 3.67Å; K445-E462 IonicContact NZ-OE2 3.15Å; K445-E462 PolarHBondContact NZ-OE2 3.37Å
446G77.1Confident86.1Confident23 Ų2371.4 Ų71.424%0.23739%0.393CS..SBendtrans-69.5161.8-170.900000114Y444 D460Y444-G446 VanDerWaalsContact CD1-O 3.23Å; Y444-G446 WeakPolarHBondContact CD1-O 3.42Å; Y444-G446 WeakPolarHBondContact CE1-O 3.4Å; G446-D460 PolarHBondContact N-O 3.22Å
447K76.9Confident86.1Confident208 Ų20873 Ų7390%0.90440%0.402SS*.  trans-86.7111.9170.1-66.6-179-178.3178.40108.5
448T75.2Confident86.2Confident63 Ų6370 Ų7039%0.38739%0.39SS..PPolyproline II helixtrans-86.2120.7174.1-43.80000109Y444 Q452 K454Y444-T448 WeakPolarHBondContact CE1-OG1 3.39Å; T448-Q452 VanDerWaalsContact CG2-O 3.28Å; T448-Q452 WeakPolarHBondContact CG2-O 3.32Å; T448-K454 HydrophobicContact CG2-CG 4.23Å
449L74.7Confident86.2Confident111 Ų11176.1 Ų76.158%0.58142%0.416SS*.PPolyproline II helixtrans-69.8142167.7-74.5161.3000109.2G451 Q452L449-G451 PolarHBondContact O-N 3.27Å; L449-G451 VanDerWaalsContact O-N 3.15Å; L449-Q452 HydrophobicContact CB-CG 4.44Å; L449-Q452 PolarHBondContact O-N 3.02Å; L449-Q452 VanDerWaalsContact O-N 3.11Å
450P73.9Confident86.2Confident133 Ų13373.1 Ų73.186%0.86441%0.406SS*.THydrogen-bonded Turntrans-54.3122.2180-22.531.4000111.6
451G77Confident86.2Confident88 Ų8873.4 Ų73.491%0.90741%0.407SS*.THydrogen-bonded Turntrans89.3-5.9177.900000116.2L449L449-G451 PolarHBondContact O-N 3.27Å; L449-G451 VanDerWaalsContact O-N 3.15Å
452Q79.2Confident86.2Confident125 Ų12575.5 Ų75.558%0.58442%0.417SS*.SBendtrans-90.5144.2171-70.7-165.2-18.200111.5T448 L449T448-Q452 VanDerWaalsContact CG2-O 3.28Å; T448-Q452 WeakPolarHBondContact CG2-O 3.32Å; L449-Q452 HydrophobicContact CB-CG 4.44Å; L449-Q452 PolarHBondContact O-N 3.02Å; L449-Q452 VanDerWaalsContact O-N 3.11Å
453P82.8Confident86.3Confident121 Ų12175.5 Ų75.579%0.78642%0.417SS*.PPolyproline II helixtrans-64.9151.417229.3-34.1000110.2
454K86.4Confident86.5Confident59 Ų5974.7 Ų74.726%0.25741%0.413SS..PPolyproline II helixtrans-63.9149.8172.6-68.1-176.5176.4-173.60110.2E437 Y444 T448 W461 L484E437-K454 IonicContact OE1-NZ 3.3Å; E437-K454 PolarHBondContact OE1-NZ 3.48Å; E437-K454 IonicContact OE2-NZ 2.8Å; E437-K454 PolarHBondContact OE2-NZ 3.31Å; Y444-K454 HydrophobicContact CD1-CD 3.93Å; Y444-K454 HydrophobicContact CD1-CG 4.15Å; Y444-K454 HydrophobicContact CD2-CB 4.27Å; Y444-K454 HydrophobicContact CD2-CD 4.21Å; Y444-K454 HydrophobicContact CD2-CG 4.5Å; Y444-K454 HydrophobicContact CE1-CB 4.44Å; Y444-K454 HydrophobicContact CE1-CD 4.42Å; Y444-K454 HydrophobicContact CE1-CG 4.13Å; Y444-K454 HydrophobicContact CE2-CB 4.04Å; Y444-K454 HydrophobicContact CG-CD 3.81Å; Y444-K454 HydrophobicContact CG-CG 4.33Å; T448-K454 HydrophobicContact CG2-CG 4.23Å; K454-W461 HydrophobicContact CB-CZ2 4.13Å; K454-W461 HydrophobicContact CD-CH2 4.08Å; K454-W461 HydrophobicContact CD-CZ2 4.41Å; K454-L484 HydrophobicContact CD-CD1 3.89Å
455S89.4Confident86.7Confident36 Ų3672.7 Ų72.725%0.25241%0.405SS..PPolyproline II helixtrans-60.8142.5177.4178.90000111.5Y444 D457 D460 W461Y444-S455 PolarHBondContact OH-N 2.8Å; S455-D457 PolarHBondContact OG-N 3.34Å; S455-D460 WeakPolarHBondContact CB-OD2 3.41Å; S455-D460 PolarHBondContact OG-OD2 3.36Å; S455-W461 PolarHBondContact O-NE1 3.21Å
456T91.2Very high87.1Confident68 Ų6867.2 Ų67.242%0.41738%0.381SS..  trans-92.2-3175.660.80000113.1I482 N483T456-I482 VanDerWaalsContact CA-O 3.23Å; T456-I482 WeakPolarHBondContact CA-O 3.18Å; T456-I482 WeakPolarHBondContact CB-O 3.29Å; T456-I482 WeakPolarHBondContact CG2-O 3.45Å; T456-I482 PolarHBondContact O-N 2.96Å; T456-N483 WeakPolarHBondContact CG2-OD1 3.28Å
457D91.7Very high88.1Confident68 Ų6867.4 Ų67.436%0.36438%0.379SS..SBendtrans-75.1123178-172.7-30.6000110S455 K459 D460 W461S455-D457 PolarHBondContact OG-N 3.34Å; D457-K459 PolarHBondContact O-N 2.74Å; D457-K459 WeakPolarHBondContact OD1-CB 3.1Å; D457-K459 WeakPolarHBondContact OD1-CG 3.46Å; D457-K459 PolarHBondContact OD1-N 2.81Å; D457-D460 PolarHBondContact O-N 3.27Å; D457-W461 VanDerWaalsContact O-CD1 3.27Å
458P92.3Very high89Confident25 Ų2557.5 Ų57.516%0.16234%0.336CS..G310 helixtrans-51.3-26.4177.7-28.235.4000115.6D460 W461 Y480P458-D460 PolarHBondContact O-N 3.1Å; P458-W461 PolarHBondContact O-N 3.41Å; P458-W461 VanDerWaalsContact O-N 3.15Å; P458-Y480 HydrophobicContact CB-CD2 4.24Å; P458-Y480 HydrophobicContact CB-CE2 3.51Å; P458-Y480 WeakPolarHBondContact CD-O 3.43Å; P458-Y480 HydrophobicContact CG-CD2 3.57Å; P458-Y480 HydrophobicContact CG-CE2 3.37Å; P458-Y480 HydrophobicContact CG-CG 4.26Å; P458-Y480 WeakPolarHBondContact CG-O 3.39Å
459K91.5Very high90.1Very high170 Ų17054.5 Ų54.574%0.73932%0.317SS*.G310 helixtrans-65-25.3179.4-67.1171.5-175.6167.10113.4D457 W461D457-K459 PolarHBondContact O-N 2.74Å; D457-K459 WeakPolarHBondContact OD1-CB 3.1Å; D457-K459 WeakPolarHBondContact OD1-CG 3.46Å; D457-K459 PolarHBondContact OD1-N 2.81Å; K459-W461 PolarHBondContact O-N 3.05Å
460D93.3Very high91.1Very high57 Ų5752.8 Ų52.831%0.30531%0.309SS..G310 helixtrans-85.85.1178.7-63.4-36.7000112.6Y444 K445 G446 S455 D457 P458Y444-D460 WeakPolarHBondContact CD2-O 3.35Å; Y444-D460 HydrophobicContact CE2-CB 3.78Å; K445-D460 WeakPolarHBondContact CB-O 3.06Å; K445-D460 PolarHBondContact N-O 2.95Å; G446-D460 PolarHBondContact N-O 3.22Å; S455-D460 WeakPolarHBondContact CB-OD2 3.41Å; S455-D460 PolarHBondContact OG-OD2 3.36Å; D457-D460 PolarHBondContact O-N 3.27Å; P458-D460 PolarHBondContact O-N 3.1Å
461W94.8Very high92.2Very high7 Ų750.9 Ų50.93%0.02729%0.285CS..EExtended strand (participates in β ladder)trans-121.9155.5-178.5-63.782.8000112M443 Y444 K454 S455 D457 P458 K459 I466 I482 L484M443-W461 CarbonylContact O-C 3.49Å; M443-W461 WeakPolarHBondContact O-CA 3.46Å; Y444-W461 AromaticContact CD2-CD2 3.87Å; Y444-W461 HydrophobicContact CD2-CD2 3.87Å; Y444-W461 AromaticContact CD2-CE2 3.57Å; Y444-W461 HydrophobicContact CD2-CE3 4.26Å; Y444-W461 HydrophobicContact CD2-CG 4.39Å; Y444-W461 HydrophobicContact CD2-CH2 4.1Å; Y444-W461 AromaticContact CD2-CZ2 3.7Å; Y444-W461 HydrophobicContact CD2-CZ2 3.7Å; Y444-W461 HydrophobicContact CD2-CZ3 4.37Å; Y444-W461 AromaticContact CD2-NE1 3.91Å; Y444-W461 HydrophobicContact CE2-CZ2 4.3Å; K454-W461 HydrophobicContact CB-CZ2 4.13Å; K454-W461 HydrophobicContact CD-CH2 4.08Å; K454-W461 HydrophobicContact CD-CZ2 4.41Å; S455-W461 PolarHBondContact O-NE1 3.21Å; D457-W461 VanDerWaalsContact O-CD1 3.27Å; P458-W461 PolarHBondContact O-N 3.41Å; P458-W461 VanDerWaalsContact O-N 3.15Å; K459-W461 PolarHBondContact O-N 3.05Å; W461-I466 HydrophobicContact CB-CD1 3.61Å; W461-I466 HydrophobicContact CB-CG1 3.82Å; W461-I466 HydrophobicContact CG-CD1 4.44Å; W461-I482 HydrophobicContact CD2-CG2 3.87Å; W461-I482 HydrophobicContact CE3-CG2 4.35Å; W461-I482 HydrophobicContact CG-CB 4.46Å; W461-I482 HydrophobicContact CG-CG1 4.38Å; W461-I482 HydrophobicContact CG-CG2 4.27Å; W461-I482 HydrophobicContact CH2-CG2 4.41Å; W461-I482 HydrophobicContact CZ2-CG2 3.93Å; W461-L484 HydrophobicContact CH2-CD1 3.92Å; W461-L484 HydrophobicContact CH2-CD2 3.72Å; W461-L484 HydrophobicContact CH2-CG 3.75Å; W461-L484 HydrophobicContact CZ2-CG 4.34Å; W461-L484 HydrophobicContact CZ3-CD2 4.23Å
462E95.1Very high93.1Very high43 Ų4346.8 Ų46.820%0.20124%0.242CC..EExtended strand (participates in β ladder)trans-148.2172.5172.375.2-178.6152.800112.5M443 K445 W801M443-E462 HydrophobicContact CB-CG 4.05Å; M443-E462 HydrophobicContact CE-CG 4.16Å; M443-E462 PolarHBondContact N-O 3.43Å; M443-E462 PolarHBondContact O-N 3.15Å; K445-E462 HydrophobicContact CD-CB 3.76Å; K445-E462 HydrophobicContact CD-CG 4.05Å; K445-E462 WeakPolarHBondContact CE-OE2 3.41Å; K445-E462 HydrophobicContact CG-CB 3.91Å; K445-E462 HydrophobicContact CG-CG 3.67Å; K445-E462 IonicContact NZ-OE2 3.15Å; K445-E462 PolarHBondContact NZ-OE2 3.37Å; E462-W801 HydrophobicContact CB-CH2 4Å; E462-W801 HydrophobicContact CG-CH2 4.17Å; E462-W801 HydrophobicContact CG-CZ3 4.49Å
463G95.6Very high93.9Very high0 Ų041.8 Ų41.80%022%0.221CC..SBendtrans124.9173.8-178.800000111.7P440 Y441 C465 I466 S467 W801P440-G463 CarbonylContact O-C 3.17Å; P440-G463 WeakPolarHBondContact O-CA 3.43Å; Y441-G463 CarbonylContact O-C 3.51Å; Y441-G463 VanDerWaalsContact O-C 3.32Å; Y441-G463 WeakPolarHBondContact O-CA 2.92Å; G463-C465 VanDerWaalsContact C-N 3.3Å; G463-C465 PolarHBondContact O-N 3.33Å; G463-I466 PolarHBondContact O-N 3.48Å; G463-S467 PolarHBondContact O-N 3.1Å; G463-S467 PolarHBondContact O-OG 2.93Å; G463-W801 VanDerWaalsContact N-CH2 3.28Å
464F97.4Very high94.4Very high1 Ų142.8 Ų42.80%0.00422%0.215CC..Hα-helixtrans-56.1-44.7-177.1176.7-86000112.4P440 Y441 S467 L468 F537 M538 L797 K798 W801 W802P440-F464 PolarHBondContact O-N 3Å; Y441-F464 PolarHBondContact O-N 3.38Å; F464-S467 PolarHBondContact O-N 3.16Å; F464-L468 HydrophobicContact CE1-CD2 4.31Å; F464-L468 WeakPolarHBondContact O-CB 3.43Å; F464-L468 PolarHBondContact O-N 3.13Å; F464-F537 HydrophobicContact CD1-CE2 4.23Å; F464-F537 AromaticContact CE1-CD2 3.6Å; F464-F537 HydrophobicContact CE1-CD2 3.6Å; F464-F537 AromaticContact CE1-CE2 3.57Å; F464-F537 HydrophobicContact CE1-CE2 3.57Å; F464-F537 HydrophobicContact CZ-CD2 4.23Å; F464-M538 HydrophobicContact CD1-CE 4.29Å; F464-M538 HydrophobicContact CD2-CE 4.24Å; F464-M538 HydrophobicContact CE1-CE 3.85Å; F464-M538 HydrophobicContact CE2-CE 3.76Å; F464-M538 HydrophobicContact CG-CE 4.49Å; F464-M538 HydrophobicContact CZ-CE 3.56Å; F464-L797 HydrophobicContact CD2-CB 3.9Å; F464-L797 HydrophobicContact CE2-CB 3.69Å; F464-K798 HydrophobicContact CE2-CB 4.3Å; F464-W801 VanDerWaalsContact CA-CD1 3.49Å; F464-W801 HydrophobicContact CB-CB 4.41Å; F464-W801 HydrophobicContact CB-CG 4.08Å; F464-W802 HydrophobicContact CB-CH2 4.24Å; F464-W802 HydrophobicContact CB-CZ3 3.79Å; F464-W802 AromaticContact CD2-CZ3 3.73Å; F464-W802 HydrophobicContact CD2-CZ3 3.73Å; F464-W802 HydrophobicContact CG-CH2 4.29Å; F464-W802 AromaticContact CG-CZ3 3.83Å; F464-W802 HydrophobicContact CG-CZ3 3.83Å
465C97.1Very high94.7Very high0 Ų043.3 Ų43.30%022%0.221CC..Hα-helixtrans-71.4-30.7-177.6-73.40000112.2Y441 M442 G463 L469 V518Y441-C465 WeakPolarHBondContact O-CB 3.24Å; Y441-C465 PolarHBondContact O-N 3.35Å; M442-C465 HydrophobicContact CG-CB 3.86Å; M442-C465 HydrophobicContact SD-CB 3.37Å; M442-C465 WeakPolarHBondContact SD-CB 3.49Å; G463-C465 VanDerWaalsContact C-N 3.3Å; G463-C465 PolarHBondContact O-N 3.33Å; C465-L469 WeakPolarHBondContact O-CB 3.42Å; C465-L469 VanDerWaalsContact O-CG 3.24Å; C465-L469 WeakPolarHBondContact O-CG 3.1Å; C465-L469 PolarHBondContact O-N 3.22Å; C465-V518 HydrophobicContact CB-CG1 3.82Å
466I96.9Very high94.9Very high6 Ų642.1 Ų42.13%0.03121%0.211CC..Hα-helixtrans-67.7-44.8171.6-62.6-62.6000110.9M442 W461 G463 L468 L469 N470 I482M442-I466 HydrophobicContact CE-CD1 3.49Å; M442-I466 VanDerWaalsContact CE-CD1 3.49Å; M442-I466 HydrophobicContact CE-CG1 4.18Å; M442-I466 HydrophobicContact SD-CD1 3.67Å; M442-I466 HydrophobicContact SD-CG1 3.72Å; W461-I466 HydrophobicContact CB-CD1 3.61Å; W461-I466 HydrophobicContact CB-CG1 3.82Å; W461-I466 HydrophobicContact CG-CD1 4.44Å; G463-I466 PolarHBondContact O-N 3.48Å; I466-L468 VanDerWaalsContact C-N 3.34Å; I466-L468 PolarHBondContact O-N 2.56Å; I466-L469 PolarHBondContact O-N 3.32Å; I466-N470 VanDerWaalsContact O-CG 3.28Å; I466-N470 PolarHBondContact O-N 3.06Å; I466-N470 PolarHBondContact O-ND2 3.12Å; I466-I482 HydrophobicContact CD1-CD1 3.98Å; I466-I482 HydrophobicContact CD1-CG1 4.09Å
467S96.9Very high94.9Very high26 Ų2643.9 Ų43.918%0.18222%0.215CC..Hα-helixtrans-60-45.7174.8-59.90000111.5G463 F464 L469 N470 Y471 W801G463-S467 PolarHBondContact O-N 3.1Å; G463-S467 PolarHBondContact O-OG 2.93Å; F464-S467 PolarHBondContact O-N 3.16Å; S467-L469 PolarHBondContact O-N 3.18Å; S467-N470 PolarHBondContact O-N 3.33Å; S467-Y471 WeakPolarHBondContact O-CD2 3.48Å; S467-Y471 PolarHBondContact O-N 3.12Å; S467-Y471 VanDerWaalsContact O-N 3.12Å; S467-W801 PolarHBondContact OG-NE1 2.81Å
468L97.2Very high95Very high0 Ų040.9 Ų40.90%020%0.199CC..Hα-helixtrans-56.5-49.3175.3174.861.4000111.2F464 I466 N470 Y471 I472 F537 L788 L794F464-L468 HydrophobicContact CE1-CD2 4.31Å; F464-L468 WeakPolarHBondContact O-CB 3.43Å; F464-L468 PolarHBondContact O-N 3.13Å; I466-L468 VanDerWaalsContact C-N 3.34Å; I466-L468 PolarHBondContact O-N 2.56Å; L468-N470 VanDerWaalsContact C-N 3.32Å; L468-N470 PolarHBondContact O-N 3.3Å; L468-Y471 PolarHBondContact O-N 3.28Å; L468-I472 HydrophobicContact CD1-CD1 3.76Å; L468-I472 HydrophobicContact CD1-CG1 4.2Å; L468-I472 HydrophobicContact CG-CD1 3.77Å; L468-I472 VanDerWaalsContact O-CG1 3.31Å; L468-I472 WeakPolarHBondContact O-CG1 3.48Å; L468-I472 PolarHBondContact O-N 2.69Å; L468-F537 HydrophobicContact CD2-CB 4.03Å; L468-F537 HydrophobicContact CD2-CD1 3.86Å; L468-F537 HydrophobicContact CD2-CD2 3.84Å; L468-F537 HydrophobicContact CD2-CE1 4.26Å; L468-F537 HydrophobicContact CD2-CE2 4.26Å; L468-F537 HydrophobicContact CD2-CG 3.63Å; L468-F537 HydrophobicContact CD2-CZ 4.45Å; L468-L788 HydrophobicContact CD1-CD1 3.88Å; L468-L794 HydrophobicContact CD1-CD2 3.63Å
469L97.2Very high95.2Very high1 Ų143.4 Ų43.41%0.00521%0.214CC..Hα-helixtrans-62.2-38178.5-79.2168.5000112.8I433 C465 I466 S467 I472 S473 Y480 I482 V518I433-L469 HydrophobicContact CD1-CD1 3.45Å; I433-L469 VanDerWaalsContact CD1-CD1 3.45Å; I433-L469 HydrophobicContact CD1-CD2 3.43Å; I433-L469 VanDerWaalsContact CD1-CD2 3.43Å; I433-L469 HydrophobicContact CD1-CG 4.02Å; I433-L469 HydrophobicContact CG2-CD1 4.3Å; C465-L469 WeakPolarHBondContact O-CB 3.42Å; C465-L469 VanDerWaalsContact O-CG 3.24Å; C465-L469 WeakPolarHBondContact O-CG 3.1Å; C465-L469 PolarHBondContact O-N 3.22Å; I466-L469 PolarHBondContact O-N 3.32Å; S467-L469 PolarHBondContact O-N 3.18Å; L469-I472 PolarHBondContact O-N 3.05Å; L469-S473 WeakPolarHBondContact O-CB 3.47Å; L469-S473 PolarHBondContact O-N 2.92Å; L469-S473 PolarHBondContact O-OG 2.98Å; L469-Y480 HydrophobicContact CB-CE1 3.99Å; L469-Y480 HydrophobicContact CB-CE2 4.19Å; L469-Y480 HydrophobicContact CD1-CE2 4.14Å; L469-I482 HydrophobicContact CD1-CD1 4.23Å; L469-V518 HydrophobicContact CD1-CB 4.29Å; L469-V518 HydrophobicContact CD1-CG1 4.17Å; L469-V518 HydrophobicContact CD1-CG2 4.32Å; L469-V518 HydrophobicContact CD2-CG2 4.13Å; L469-V518 HydrophobicContact CG-CG1 4.32Å; L469-V518 HydrophobicContact CG-CG2 4.5Å
470N96.9Very high95.4Very high74 Ų7436 Ų3640%0.39618%0.181SC..Hα-helixtrans-60.7-46.9175-73.4-22.1000111.4I466 S467 L468 I472 S473 E474 Y480I466-N470 VanDerWaalsContact O-CG 3.28Å; I466-N470 PolarHBondContact O-N 3.06Å; I466-N470 PolarHBondContact O-ND2 3.12Å; S467-N470 PolarHBondContact O-N 3.33Å; L468-N470 VanDerWaalsContact C-N 3.32Å; L468-N470 PolarHBondContact O-N 3.3Å; N470-I472 PolarHBondContact O-N 3.02Å; N470-S473 WeakPolarHBondContact CA-OG 3.39Å; N470-S473 PolarHBondContact O-N 3.37Å; N470-S473 PolarHBondContact O-OG 2.81Å; N470-E474 WeakPolarHBondContact O-CB 3.2Å; N470-E474 PolarHBondContact O-N 2.99Å; N470-Y480 PolarHBondContact OD1-OH 2.77Å
471Y96.7Very high95.5Very high94 Ų9435 Ų3537%0.36918%0.177SC..Hα-helixtrans-60.7-44.7175.4-81.1-70.7000112.5S467 L468 E474 D475 L788 V793 L797S467-Y471 WeakPolarHBondContact O-CD2 3.48Å; S467-Y471 PolarHBondContact O-N 3.12Å; S467-Y471 VanDerWaalsContact O-N 3.12Å; L468-Y471 PolarHBondContact O-N 3.28Å; Y471-E474 PolarHBondContact O-N 2.8Å; Y471-D475 WeakPolarHBondContact O-CB 3.37Å; Y471-D475 PolarHBondContact O-N 2.8Å; Y471-D475 VanDerWaalsContact O-N 3.07Å; Y471-L788 HydrophobicContact CD1-CD2 4.14Å; Y471-L788 HydrophobicContact CG-CD2 4.09Å; Y471-V793 HydrophobicContact CD1-CG1 4.41Å; Y471-V793 HydrophobicContact CD2-CG1 4.03Å; Y471-V793 HydrophobicContact CE1-CG1 4.06Å; Y471-V793 HydrophobicContact CE2-CG1 3.67Å; Y471-V793 HydrophobicContact CG-CG1 4.4Å; Y471-L797 HydrophobicContact CD2-CD1 3.97Å; Y471-L797 HydrophobicContact CE2-CD1 3.94Å; Y471-L797 HydrophobicContact CE2-CD2 4.2Å; Y471-L797 HydrophobicContact CE2-CG 4.33Å
472I95.9Very high95.6Very high1 Ų134.7 Ų34.71%0.00518%0.176CC..Hα-helixtrans-65.2-42.4179.1-63.2169.3000110.5L468 L469 N470 E474 D475 L476 F478 I769 I781 T784 I785 L788L468-I472 HydrophobicContact CD1-CD1 3.76Å; L468-I472 HydrophobicContact CD1-CG1 4.2Å; L468-I472 HydrophobicContact CG-CD1 3.77Å; L468-I472 VanDerWaalsContact O-CG1 3.31Å; L468-I472 WeakPolarHBondContact O-CG1 3.48Å; L468-I472 PolarHBondContact O-N 2.69Å; L469-I472 PolarHBondContact O-N 3.05Å; N470-I472 PolarHBondContact O-N 3.02Å; I472-E474 VanDerWaalsContact C-N 3.33Å; I472-E474 PolarHBondContact O-N 3.24Å; I472-D475 PolarHBondContact O-N 2.85Å; I472-L476 HydrophobicContact CG2-CD1 3.94Å; I472-L476 WeakPolarHBondContact O-CB 3.09Å; I472-L476 PolarHBondContact O-N 2.58Å; I472-F478 HydrophobicContact CB-CZ 4.47Å; I472-F478 HydrophobicContact CG2-CE1 3.76Å; I472-F478 HydrophobicContact CG2-CZ 3.8Å; I472-I769 HydrophobicContact CD1-CD1 3.71Å; I472-I781 HydrophobicContact CD1-CG2 4.25Å; I472-I781 HydrophobicContact CG2-CG1 4.31Å; I472-I781 HydrophobicContact CG2-CG2 4.17Å; I472-T784 HydrophobicContact CB-CG2 4.42Å; I472-T784 HydrophobicContact CG1-CG2 4.07Å; I472-I785 HydrophobicContact CD1-CG1 4.15Å; I472-L788 HydrophobicContact CG1-CD1 4.23Å
473S95.3Very high95.5Very high20 Ų2035.1 Ų35.114%0.1418%0.18CC..Hα-helixtrans-66.6-33.4179.475.10000112.8L469 N470 Q477 F478L469-S473 WeakPolarHBondContact O-CB 3.47Å; L469-S473 PolarHBondContact O-N 2.92Å; L469-S473 PolarHBondContact O-OG 2.98Å; N470-S473 WeakPolarHBondContact CA-OG 3.39Å; N470-S473 PolarHBondContact O-N 3.37Å; N470-S473 PolarHBondContact O-OG 2.81Å; S473-Q477 CarbonylContact O-C 3.57Å; S473-Q477 WeakPolarHBondContact O-CA 3.44Å; S473-Q477 PolarHBondContact O-N 2.93Å; S473-F478 WeakPolarHBondContact CB-O 3.48Å; S473-F478 PolarHBondContact O-N 3.36Å
474E94.6Very high95.4Very high143 Ų14338.2 Ų38.267%0.66820%0.196SC*.Hα-helixtrans-72.1-46177-175179-179.200111.3N470 Y471 I472N470-E474 WeakPolarHBondContact O-CB 3.2Å; N470-E474 PolarHBondContact O-N 2.99Å; Y471-E474 PolarHBondContact O-N 2.8Å; I472-E474 VanDerWaalsContact C-N 3.33Å; I472-E474 PolarHBondContact O-N 3.24Å
475D92.7Very high95.2Very high70 Ų7038.4 Ų38.437%0.37420%0.197SC..Hα-helixtrans-66.3-42.5-179.9-166.461.4000111.7Y471 I472 T784 K787Y471-D475 WeakPolarHBondContact O-CB 3.37Å; Y471-D475 PolarHBondContact O-N 2.8Å; Y471-D475 VanDerWaalsContact O-N 3.07Å; I472-D475 PolarHBondContact O-N 2.85Å; D475-T784 HydrophobicContact CB-CG2 3.86Å; D475-T784 VanDerWaalsContact OD2-CG2 3.31Å; D475-T784 WeakPolarHBondContact OD2-CG2 3.37Å; D475-T784 PolarHBondContact OD2-OG1 2.77Å; D475-K787 IonicContact OD1-NZ 2.7Å; D475-K787 PolarHBondContact OD1-NZ 3.38Å; D475-K787 IonicContact OD2-NZ 2.68Å
476L92.2Very high94.8Very high10 Ų1043.6 Ų43.65%0.05223%0.231CC..Hα-helixtrans-96.8-0.4-177.6-61.2177.9000114L426 I472 F478 P780 I781L426-L476 HydrophobicContact CD2-CB 3.75Å; L426-L476 HydrophobicContact CD2-CD1 3.72Å; L426-L476 HydrophobicContact CD2-CG 4.21Å; L426-L476 HydrophobicContact CG-CB 4.48Å; I472-L476 HydrophobicContact CG2-CD1 3.94Å; I472-L476 WeakPolarHBondContact O-CB 3.09Å; I472-L476 PolarHBondContact O-N 2.58Å; L476-F478 VanDerWaalsContact C-N 3.31Å; L476-F478 HydrophobicContact CB-CD1 3.72Å; L476-F478 HydrophobicContact CB-CE1 3.87Å; L476-F478 HydrophobicContact CD1-CE1 4.18Å; L476-F478 PolarHBondContact O-N 2.9Å; L476-P780 HydrophobicContact CD1-CB 4.34Å; L476-P780 HydrophobicContact CD2-CB 4.29Å; L476-I781 HydrophobicContact CD1-CG1 3.77Å
477Q92Very high94.3Very high105 Ų10546.9 Ų46.949%0.49125%0.249SC..THydrogen-bonded Turntrans55.934.3173.9-57-174.6-33.100115.4K427 G428 S473K427-Q477 WeakPolarHBondContact CA-O 3.48Å; K427-Q477 HydrophobicContact CB-CB 4.42Å; K427-Q477 HydrophobicContact CD-CB 4.41Å; K427-Q477 HydrophobicContact CG-CB 3.89Å; G428-Q477 PolarHBondContact N-O 2.92Å; S473-Q477 CarbonylContact O-C 3.57Å; S473-Q477 WeakPolarHBondContact O-CA 3.44Å; S473-Q477 PolarHBondContact O-N 2.93Å
478F94.3Very high93.8Very high6 Ų649.3 Ų49.33%0.02627%0.266CS..  trans-101.2167.5170.367.7-95000111.3L426 L431 I472 S473 L476 Y480L426-F478 HydrophobicContact CD1-CB 4.21Å; L426-F478 HydrophobicContact CD1-CD1 4.09Å; L426-F478 HydrophobicContact CD1-CG 4.31Å; L426-F478 HydrophobicContact CD2-CD1 3.96Å; L426-F478 HydrophobicContact CD2-CE1 4.38Å; L426-F478 HydrophobicContact CG-CB 4.2Å; L426-F478 HydrophobicContact CG-CD1 3.87Å; L426-F478 HydrophobicContact CG-CG 4.39Å; L426-F478 WeakPolarHBondContact O-CB 3.36Å; L431-F478 HydrophobicContact CB-CD2 4.43Å; L431-F478 HydrophobicContact CD1-CD1 4.49Å; L431-F478 HydrophobicContact CD1-CD2 3.77Å; L431-F478 HydrophobicContact CD1-CE1 4.48Å; L431-F478 HydrophobicContact CD1-CE2 3.8Å; L431-F478 HydrophobicContact CD1-CG 4.14Å; L431-F478 HydrophobicContact CD1-CZ 4.17Å; L431-F478 HydrophobicContact CG-CD2 3.95Å; L431-F478 HydrophobicContact CG-CE2 4.37Å; L431-F478 HydrophobicContact CG-CG 4.39Å; I472-F478 HydrophobicContact CB-CZ 4.47Å; I472-F478 HydrophobicContact CG2-CE1 3.76Å; I472-F478 HydrophobicContact CG2-CZ 3.8Å; S473-F478 WeakPolarHBondContact CB-O 3.48Å; S473-F478 PolarHBondContact O-N 3.36Å; L476-F478 VanDerWaalsContact C-N 3.31Å; L476-F478 HydrophobicContact CB-CD1 3.72Å; L476-F478 HydrophobicContact CB-CE1 3.87Å; L476-F478 HydrophobicContact CD1-CE1 4.18Å; L476-F478 PolarHBondContact O-N 2.9Å; F478-Y480 HydrophobicContact CD2-CD1 4.49Å; F478-Y480 HydrophobicContact CE2-CD1 4.03Å
479T94.8Very high93.4Very high77 Ų7751 Ų5147%0.47228%0.276SS..EExtended strand (participates in β ladder)trans-116.2160.9170.355.30000109.2K429 V430 L431K429-T479 PolarHBondContact O-N 3.28Å; K429-T479 VanDerWaalsContact O-O 3.12Å; K429-T479 PolarHBondContact O-OG1 2.86Å; K429-T479 VanDerWaalsContact O-OG1 3.12Å; V430-T479 CarbonylContact C-O 3.5Å; V430-T479 VanDerWaalsContact CA-O 3.23Å; V430-T479 WeakPolarHBondContact CA-O 3.44Å; V430-T479 WeakPolarHBondContact CG2-OG1 3.45Å; L431-T479 PolarHBondContact N-O 3.49Å
480Y96.3Very high93.1Very high14 Ų1453 Ų536%0.05528%0.284CS..EExtended strand (participates in β ladder)trans-144.7161.9-176.564.1-91.1000112.7L431 I433 P458 L469 N470 F478 I482L431-Y480 CarbonylContact O-C 3.54Å; L431-Y480 WeakPolarHBondContact O-CA 3.43Å; L431-Y480 WeakPolarHBondContact O-CB 3.3Å; I433-Y480 HydrophobicContact CD1-CD1 4.48Å; I433-Y480 HydrophobicContact CD1-CD2 3.43Å; I433-Y480 VanDerWaalsContact CD1-CD2 3.43Å; I433-Y480 HydrophobicContact CD1-CE2 4.18Å; I433-Y480 HydrophobicContact CD1-CG 3.59Å; I433-Y480 HydrophobicContact CG1-CD2 4.27Å; I433-Y480 HydrophobicContact CG1-CG 4.44Å; P458-Y480 HydrophobicContact CB-CD2 4.24Å; P458-Y480 HydrophobicContact CB-CE2 3.51Å; P458-Y480 WeakPolarHBondContact CD-O 3.43Å; P458-Y480 HydrophobicContact CG-CD2 3.57Å; P458-Y480 HydrophobicContact CG-CE2 3.37Å; P458-Y480 HydrophobicContact CG-CG 4.26Å; P458-Y480 WeakPolarHBondContact CG-O 3.39Å; L469-Y480 HydrophobicContact CB-CE1 3.99Å; L469-Y480 HydrophobicContact CB-CE2 4.19Å; L469-Y480 HydrophobicContact CD1-CE2 4.14Å; N470-Y480 PolarHBondContact OD1-OH 2.77Å; F478-Y480 HydrophobicContact CD2-CD1 4.49Å; F478-Y480 HydrophobicContact CE2-CD1 4.03Å; Y480-I482 HydrophobicContact CD2-CD1 3.76Å; Y480-I482 HydrophobicContact CD2-CG1 4.3Å; Y480-I482 HydrophobicContact CE2-CD1 3.66Å; Y480-I482 HydrophobicContact CE2-CG1 4.11Å
481T96.2Very high92.8Very high37 Ų3749.5 Ų49.523%0.22727%0.265CS..EExtended strand (participates in β ladder)trans-122.5143.6174.452.20000109.4V430 L431 I433V430-T481 HydrophobicContact CG1-CG2 4Å; L431-T481 PolarHBondContact O-N 2.81Å; L431-T481 PolarHBondContact O-OG1 2.91Å; I433-T481 WeakPolarHBondContact CB-O 3.35Å; I433-T481 PolarHBondContact N-O 3.07Å
482I95.6Very high92.3Very high1 Ų147.4 Ų47.41%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-100.7120.5179.1-60.8-56.7000109.3I433 T435 M442 T456 W461 I466 L469 Y480I433-I482 HydrophobicContact CB-CD1 4.04Å; I433-I482 HydrophobicContact CD1-CD1 4.3Å; I433-I482 HydrophobicContact CG2-CD1 4.19Å; T435-I482 HydrophobicContact CG2-CG2 3.69Å; M442-I482 HydrophobicContact CE-CD1 3.92Å; M442-I482 HydrophobicContact CE-CG2 4.08Å; T456-I482 VanDerWaalsContact CA-O 3.23Å; T456-I482 WeakPolarHBondContact CA-O 3.18Å; T456-I482 WeakPolarHBondContact CB-O 3.29Å; T456-I482 WeakPolarHBondContact CG2-O 3.45Å; T456-I482 PolarHBondContact O-N 2.96Å; W461-I482 HydrophobicContact CD2-CG2 3.87Å; W461-I482 HydrophobicContact CE3-CG2 4.35Å; W461-I482 HydrophobicContact CG-CB 4.46Å; W461-I482 HydrophobicContact CG-CG1 4.38Å; W461-I482 HydrophobicContact CG-CG2 4.27Å; W461-I482 HydrophobicContact CH2-CG2 4.41Å; W461-I482 HydrophobicContact CZ2-CG2 3.93Å; I466-I482 HydrophobicContact CD1-CD1 3.98Å; I466-I482 HydrophobicContact CD1-CG1 4.09Å; L469-I482 HydrophobicContact CD1-CD1 4.23Å; Y480-I482 HydrophobicContact CD2-CD1 3.76Å; Y480-I482 HydrophobicContact CD2-CG1 4.3Å; Y480-I482 HydrophobicContact CE2-CD1 3.66Å; Y480-I482 HydrophobicContact CE2-CG1 4.11Å
483N94.7Very high91.8Very high52 Ų5251.2 Ų51.228%0.27828%0.28SS..EExtended strand (participates in β ladder)trans-120.4129.4176.1-59.9-45.2000108.9I433 T434 T435 T456I433-N483 PolarHBondContact O-N 3.29Å; T434-N483 CarbonylContact C-O 3.58Å; T434-N483 WeakPolarHBondContact CA-O 3.46Å; T435-N483 PolarHBondContact N-O 2.87Å; T456-N483 WeakPolarHBondContact CG2-OD1 3.28Å
484L93.6Very high91.3Very high64 Ų6455.7 Ų55.734%0.33530%0.297SS..EExtended strand (participates in β ladder)trans-76.5134.3172.5-73.9178.1000110.2T435 E437 K454 W461T435-L484 HydrophobicContact CG2-CD2 3.97Å; T435-L484 WeakPolarHBondContact O-CA 3.35Å; E437-L484 HydrophobicContact CB-CD2 4.21Å; K454-L484 HydrophobicContact CD-CD1 3.89Å; W461-L484 HydrophobicContact CH2-CD1 3.92Å; W461-L484 HydrophobicContact CH2-CD2 3.72Å; W461-L484 HydrophobicContact CH2-CG 3.75Å; W461-L484 HydrophobicContact CZ2-CG 4.34Å; W461-L484 HydrophobicContact CZ3-CD2 4.23Å
485V93.2Very high90.7Very high5 Ų554.7 Ų54.73%0.0329%0.294CS..  trans-62.1127.8173.766.30000109.8T435 D487 S488 M505T435-V485 PolarHBondContact O-N 3.45Å; V485-D487 VanDerWaalsContact C-N 3.33Å; V485-D487 WeakPolarHBondContact CG2-OD1 3.24Å; V485-D487 PolarHBondContact O-N 3.05Å; V485-S488 PolarHBondContact O-N 2.73Å; V485-S488 VanDerWaalsContact O-N 3.16Å; V485-M505 HydrophobicContact CB-CG 3.9Å; V485-M505 HydrophobicContact CG1-CG 4.13Å; V485-M505 HydrophobicContact CG2-CG 4.09Å
486P87.8Confident90.1Very high110 Ų11054.8 Ų54.871%0.71430%0.297SS*.THydrogen-bonded Turntrans-60.5-35.5-170-28.235.1000115.4
487D86.2Confident89.5Confident75 Ų7562.2 Ų62.240%0.40134%0.337SS..THydrogen-bonded Turntrans-90.7-1.2-177.961.320.7000113.6V485 T489 G504V485-D487 VanDerWaalsContact C-N 3.33Å; V485-D487 WeakPolarHBondContact CG2-OD1 3.24Å; V485-D487 PolarHBondContact O-N 3.05Å; D487-T489 PolarHBondContact O-N 3.24Å; D487-T489 PolarHBondContact OD1-N 3.44Å; D487-T489 PolarHBondContact OD1-OG1 2.92Å; D487-T489 PolarHBondContact OD2-OG1 3.29Å; D487-G504 WeakPolarHBondContact OD1-CA 3.33Å; D487-G504 WeakPolarHBondContact OD2-CA 3.41Å; D487-G504 PolarHBondContact OD2-N 3.47Å
488S86.3Confident88.8Confident76 Ų7660.5 Ų60.553%0.53135%0.348SS..  trans5636.2-177.8-58.90000113.5Q436 V485Q436-S488 VanDerWaalsContact CD-C 3.49Å; Q436-S488 VanDerWaalsContact CD-O 3.27Å; Q436-S488 PolarHBondContact NE2-O 2.72Å; Q436-S488 PolarHBondContact OE1-O 3.21Å; V485-S488 PolarHBondContact O-N 2.73Å; V485-S488 VanDerWaalsContact O-N 3.16Å
489T89Confident87.9Confident37 Ų3764.7 Ų64.723%0.22737%0.374CS..  trans-123.6150.6174.567.20000112.9D487 G491 G504 M505D487-T489 PolarHBondContact O-N 3.24Å; D487-T489 PolarHBondContact OD1-N 3.44Å; D487-T489 PolarHBondContact OD1-OG1 2.92Å; D487-T489 PolarHBondContact OD2-OG1 3.29Å; T489-G491 VanDerWaalsContact C-N 3.33Å; T489-G504 WeakPolarHBondContact O-CA 3.45Å; T489-G504 WeakPolarHBondContact OG1-CA 3.42Å; T489-G504 PolarHBondContact OG1-N 2.81Å; T489-M505 PolarHBondContact O-N 3.12Å; T489-M505 VanDerWaalsContact O-N 3.16Å
490Y91.1Very high87.4Confident41 Ų4164.3 Ų64.316%0.16137%0.366CS..  trans-71.4-29175.2-72.2-84000112.8Q436 E438 M505 V506 S520 F521Q436-Y490 HydrophobicContact CB-CE1 4.26Å; Q436-Y490 HydrophobicContact CG-CE2 4.29Å; E438-Y490 PolarHBondContact OE2-OH 2.77Å; Y490-M505 HydrophobicContact CD1-CE 3.06Å; Y490-M505 HydrophobicContact CE1-CE 3.45Å; Y490-M505 VanDerWaalsContact CE1-CE 3.45Å; Y490-M505 HydrophobicContact CG-CE 3.99Å; Y490-M505 PolarHBondContact O-N 3.21Å; Y490-V506 PolarHBondContact O-N 3.49Å; Y490-S520 WeakPolarHBondContact CE1-O 3.46Å; Y490-S520 PolarHBondContact OH-OG 3.43Å; Y490-F521 HydrophobicContact CD1-CB 4.27Å; Y490-F521 AromaticContact CD1-CD2 3.78Å; Y490-F521 HydrophobicContact CD1-CD2 3.78Å; Y490-F521 HydrophobicContact CD1-CG 4.35Å; Y490-F521 HydrophobicContact CE1-CB 4.5Å; Y490-F521 HydrophobicContact CG-CD2 4.45Å; Y490-F521 WeakPolarHBondContact O-CE2 3.23Å
491G90.1Very high86.9Confident1 Ų166 Ų661%0.0138%0.379CS..  trans116.7117-177.700000112.4T489 D503 R527T489-G491 VanDerWaalsContact C-N 3.33Å; G491-D503 WeakPolarHBondContact CA-O 3.39Å; G491-D503 WeakPolarHBondContact CA-OD1 3.41Å; G491-R527 PolarHBondContact O-NE 2.84Å; G491-R527 VanDerWaalsContact O-NE 3.12Å; G491-R527 PolarHBondContact O-NH2 2.99Å
492N86.6Confident86.6Confident50 Ų5065 Ų6527%0.26737%0.371SS..  trans-122.2148.1175.9-53-67.5000109.3D503N492-D503 PolarHBondContact N-OD1 3.48Å; N492-D503 PolarHBondContact O-N 3.33Å
493M85Confident86.3Confident82 Ų8266.2 Ų66.240%0.40438%0.377SS..EExtended strand (participates in β ladder)trans-80.9133.8177.7-172.9-163.770.100110.6E500 W502M493-E500 HydrophobicContact CG-CG 3.64Å; M493-E500 HydrophobicContact SD-CG 4.02Å; M493-W502 HydrophobicContact CB-CD2 4.37Å; M493-W502 HydrophobicContact CB-CE3 4.47Å; M493-W502 HydrophobicContact CB-CH2 3.94Å; M493-W502 HydrophobicContact CB-CZ2 3.78Å; M493-W502 HydrophobicContact CB-CZ3 4.27Å; M493-W502 HydrophobicContact CG-CZ2 4.07Å
494K84.4Confident86.2Confident114 Ų11463.9 Ų63.950%0.49637%0.365SS..EExtended strand (participates in β ladder)trans-132.7134.4170.4-71.2171-178.7145.80109.9V496 T501 D503K494-V496 HydrophobicContact CB-CG2 4.48Å; K494-T501 PolarHBondContact N-O 3.22Å; K494-T501 WeakPolarHBondContact O-CA 3.4Å; K494-T501 PolarHBondContact O-N 3.25Å; K494-T501 PolarHBondContact O-OG1 3.25Å; K494-D503 IonicContact NZ-OD2 2.64Å; K494-D503 PolarHBondContact NZ-OD2 2.84Å
495I82.5Confident86.3Confident121 Ų12160.8 Ų60.862%0.62135%0.349SS*.EExtended strand (participates in β ladder)trans-92.5109.7173-57.1173.1000107.5
496V80.6Confident86.3Confident73 Ų7360.6 Ų60.644%0.44235%0.347SS..EExtended strand (participates in β ladder)trans-114.6120.2176.6-179.20000107.4K494 G498 V499 T501K494-V496 HydrophobicContact CB-CG2 4.48Å; V496-G498 PolarHBondContact O-N 3.24Å; V496-V499 PolarHBondContact N-O 3.22Å; V496-V499 PolarHBondContact O-N 3.12Å; V496-T501 HydrophobicContact CB-CG2 4.2Å; V496-T501 HydrophobicContact CG2-CG2 4.43Å; V496-T501 WeakPolarHBondContact CG2-OG1 3.41Å
497D78.6Confident86.5Confident165 Ų16558.1 Ų58.188%0.88233%0.326SS*.THydrogen-bonded Turntrans53.434.7-178-56.3-35.7000114.2V499D497-V499 PolarHBondContact O-N 3.42Å
498G77.6Confident86.9Confident69 Ų6956 Ų5671%0.71131%0.314SS*.THydrogen-bonded Turntrans77.9-2-17700000114.7V496V496-G498 PolarHBondContact O-N 3.24Å
499V76.6Confident87.2Confident95 Ų9552.3 Ų52.358%0.57629%0.289SS*.EExtended strand (participates in β ladder)trans-98.5132.6177.3-176.10000110.1V496 D497 T501V496-V499 PolarHBondContact N-O 3.22Å; V496-V499 PolarHBondContact O-N 3.12Å; D497-V499 PolarHBondContact O-N 3.42Å; V499-T501 PolarHBondContact O-N 2.87Å
500E83.2Confident87.1Confident68 Ų6855 Ų5532%0.31830%0.295SS..EExtended strand (participates in β ladder)trans-73105.2175.6-169.1-176.1161.600110.7M493 W502 R529M493-E500 HydrophobicContact CG-CG 3.64Å; M493-E500 HydrophobicContact SD-CG 4.02Å; E500-W502 WeakPolarHBondContact OE1-CZ2 3.49Å; E500-W502 PolarHBondContact OE1-NE1 3.3Å; E500-R529 IonicContact OE1-NH2 3.82Å; E500-R529 PolarHBondContact OE1-NH2 3.48Å
501T85.8Confident86.8Confident51 Ų5154.6 Ų54.631%0.31330%0.296SS..EExtended strand (participates in β ladder)trans-105.7142.1177.261.80000110.5K494 V496 V499K494-T501 PolarHBondContact N-O 3.22Å; K494-T501 WeakPolarHBondContact O-CA 3.4Å; K494-T501 PolarHBondContact O-N 3.25Å; K494-T501 PolarHBondContact O-OG1 3.25Å; V496-T501 HydrophobicContact CB-CG2 4.2Å; V496-T501 HydrophobicContact CG2-CG2 4.43Å; V496-T501 WeakPolarHBondContact CG2-OG1 3.41Å; V499-T501 PolarHBondContact O-N 2.87Å
502W89.7Confident86.6Confident16 Ų1656.4 Ų56.46%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-120.6147.7179.3-74.374.2000109.7M493 E500 V506 Q507 D526 R527 V530M493-W502 HydrophobicContact CB-CD2 4.37Å; M493-W502 HydrophobicContact CB-CE3 4.47Å; M493-W502 HydrophobicContact CB-CH2 3.94Å; M493-W502 HydrophobicContact CB-CZ2 3.78Å; M493-W502 HydrophobicContact CB-CZ3 4.27Å; M493-W502 HydrophobicContact CG-CZ2 4.07Å; E500-W502 WeakPolarHBondContact OE1-CZ2 3.49Å; E500-W502 PolarHBondContact OE1-NE1 3.3Å; W502-V506 HydrophobicContact CB-CG1 4.29Å; W502-V506 HydrophobicContact CD2-CB 4.47Å; W502-V506 HydrophobicContact CD2-CG1 3.71Å; W502-V506 HydrophobicContact CE3-CB 3.83Å; W502-V506 HydrophobicContact CE3-CG1 3.47Å; W502-V506 VanDerWaalsContact CE3-CG1 3.47Å; W502-V506 HydrophobicContact CE3-CG2 4.08Å; W502-V506 HydrophobicContact CG-CG1 4.12Å; W502-V506 HydrophobicContact CZ3-CB 4.4Å; W502-V506 HydrophobicContact CZ3-CG1 4.04Å; W502-V506 HydrophobicContact CZ3-CG2 4.17Å; W502-Q507 HydrophobicContact CB-CB 4.35Å; W502-Q507 WeakPolarHBondContact O-CB 3.21Å; W502-Q507 VanDerWaalsContact O-CD 3.29Å; W502-Q507 VanDerWaalsContact O-CG 3.27Å; W502-Q507 WeakPolarHBondContact O-CG 3.1Å; W502-Q507 PolarHBondContact O-OE1 2.69Å; W502-D526 HydrophobicContact CH2-CB 3.81Å; W502-D526 WeakPolarHBondContact CH2-O 3.28Å; W502-D526 HydrophobicContact CZ2-CB 4.23Å; W502-D526 WeakPolarHBondContact CZ2-O 3.42Å; W502-R527 HydrophobicContact CH2-CG 4.14Å; W502-R527 HydrophobicContact CZ3-CG 3.94Å; W502-V530 HydrophobicContact CD2-CG2 4.3Å; W502-V530 HydrophobicContact CH2-CG2 4.3Å; W502-V530 HydrophobicContact CZ2-CG1 4.28Å; W502-V530 HydrophobicContact CZ2-CG2 3.8Å
503D90.4Very high86.6Confident26 Ų2661.7 Ų61.714%0.13932%0.319CS..  trans-107.4-179.2168.856.123.8000111.2G491 N492 K494 Q507G491-D503 WeakPolarHBondContact CA-O 3.39Å; G491-D503 WeakPolarHBondContact CA-OD1 3.41Å; N492-D503 PolarHBondContact N-OD1 3.48Å; N492-D503 PolarHBondContact O-N 3.33Å; K494-D503 IonicContact NZ-OD2 2.64Å; K494-D503 PolarHBondContact NZ-OD2 2.84Å; D503-Q507 PolarHBondContact O-N 3.48Å
504G92.5Very high87Confident2 Ų257.9 Ų57.92%0.02130%0.3CS..Hα-helixtrans67.7-157.2168.900000116.7D487 T489 V506 Q507 E508D487-G504 WeakPolarHBondContact OD1-CA 3.33Å; D487-G504 WeakPolarHBondContact OD2-CA 3.41Å; D487-G504 PolarHBondContact OD2-N 3.47Å; T489-G504 WeakPolarHBondContact O-CA 3.45Å; T489-G504 WeakPolarHBondContact OG1-CA 3.42Å; T489-G504 PolarHBondContact OG1-N 2.81Å; G504-V506 VanDerWaalsContact C-N 3.25Å; G504-V506 PolarHBondContact O-N 3.24Å; G504-Q507 WeakPolarHBondContact O-CB 3.21Å; G504-Q507 PolarHBondContact O-N 2.84Å; G504-E508 PolarHBondContact O-N 2.89Å
505M94.8Very high87.4Confident0 Ų053.1 Ų53.10%028%0.28CS..Hα-helixtrans-61.3-34.1-179.3-66-168.2-70.800112.4T434 T435 V485 T489 Y490 Q507 E508 L509 A517 F521T434-M505 HydrophobicContact CG2-CB 3.83Å; T434-M505 HydrophobicContact CG2-CG 3.79Å; T434-M505 HydrophobicContact CG2-SD 4.08Å; T435-M505 WeakPolarHBondContact CA-SD 3.49Å; V485-M505 HydrophobicContact CB-CG 3.9Å; V485-M505 HydrophobicContact CG1-CG 4.13Å; V485-M505 HydrophobicContact CG2-CG 4.09Å; T489-M505 PolarHBondContact O-N 3.12Å; T489-M505 VanDerWaalsContact O-N 3.16Å; Y490-M505 HydrophobicContact CD1-CE 3.06Å; Y490-M505 HydrophobicContact CE1-CE 3.45Å; Y490-M505 VanDerWaalsContact CE1-CE 3.45Å; Y490-M505 HydrophobicContact CG-CE 3.99Å; Y490-M505 PolarHBondContact O-N 3.21Å; M505-Q507 VanDerWaalsContact C-N 3.29Å; M505-Q507 PolarHBondContact O-N 2.7Å; M505-E508 PolarHBondContact O-N 3.49Å; M505-L509 WeakPolarHBondContact O-CG 3.31Å; M505-L509 PolarHBondContact O-N 3.41Å; M505-A517 HydrophobicContact CB-CB 4.03Å; M505-A517 HydrophobicContact SD-CB 4.09Å; M505-F521 HydrophobicContact CE-CB 4.4Å; M505-F521 HydrophobicContact CE-CD2 4.17Å; M505-F521 HydrophobicContact CE-CG 4.16Å
506V94Very high88.1Confident0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-57.4-45.2173.3179.20000110.4Y490 W502 G504 E508 L509 R510 F521 R527 V530 I531Y490-V506 PolarHBondContact O-N 3.49Å; W502-V506 HydrophobicContact CB-CG1 4.29Å; W502-V506 HydrophobicContact CD2-CB 4.47Å; W502-V506 HydrophobicContact CD2-CG1 3.71Å; W502-V506 HydrophobicContact CE3-CB 3.83Å; W502-V506 HydrophobicContact CE3-CG1 3.47Å; W502-V506 VanDerWaalsContact CE3-CG1 3.47Å; W502-V506 HydrophobicContact CE3-CG2 4.08Å; W502-V506 HydrophobicContact CG-CG1 4.12Å; W502-V506 HydrophobicContact CZ3-CB 4.4Å; W502-V506 HydrophobicContact CZ3-CG1 4.04Å; W502-V506 HydrophobicContact CZ3-CG2 4.17Å; G504-V506 VanDerWaalsContact C-N 3.25Å; G504-V506 PolarHBondContact O-N 3.24Å; V506-E508 PolarHBondContact O-N 2.93Å; V506-L509 PolarHBondContact O-N 3.41Å; V506-R510 HydrophobicContact CG1-CG 4.28Å; V506-R510 WeakPolarHBondContact O-CG 3.31Å; V506-R510 PolarHBondContact O-N 3.28Å; V506-F521 HydrophobicContact CG2-CE2 4.07Å; V506-F521 HydrophobicContact CG2-CZ 3.7Å; V506-R527 HydrophobicContact CG2-CG 3.91Å; V506-V530 HydrophobicContact CG1-CG2 3.68Å; V506-I531 HydrophobicContact CG1-CG2 4.15Å; V506-I531 HydrophobicContact CG2-CD1 4.16Å
507Q92.1Very high88.9Confident58 Ų5843.9 Ų43.927%0.27123%0.23SC..Hα-helixtrans-65.3-38178.5-175.960.17.800112.7W502 D503 G504 M505 L509 R510 T511W502-Q507 HydrophobicContact CB-CB 4.35Å; W502-Q507 WeakPolarHBondContact O-CB 3.21Å; W502-Q507 VanDerWaalsContact O-CD 3.29Å; W502-Q507 VanDerWaalsContact O-CG 3.27Å; W502-Q507 WeakPolarHBondContact O-CG 3.1Å; W502-Q507 PolarHBondContact O-OE1 2.69Å; D503-Q507 PolarHBondContact O-N 3.48Å; G504-Q507 WeakPolarHBondContact O-CB 3.21Å; G504-Q507 PolarHBondContact O-N 2.84Å; M505-Q507 VanDerWaalsContact C-N 3.29Å; M505-Q507 PolarHBondContact O-N 2.7Å; Q507-L509 VanDerWaalsContact C-N 3.35Å; Q507-R510 PolarHBondContact O-N 3.47Å; Q507-T511 HydrophobicContact CG-CG2 4.49Å; Q507-T511 WeakPolarHBondContact O-CB 3.35Å; Q507-T511 WeakPolarHBondContact O-CG2 3.38Å; Q507-T511 PolarHBondContact O-N 3.23Å; Q507-T511 PolarHBondContact O-OG1 3.15Å
508E93.4Very high89.7Confident30 Ų3036 Ų3614%0.1419%0.188CC..Hα-helixtrans-66.5-35175.3-68.4-152.5133.600113.1T434 G504 M505 V506 T511 R512 R513 A514T434-E508 WeakPolarHBondContact CB-OE2 3.39Å; T434-E508 HydrophobicContact CG2-CB 4.42Å; T434-E508 PolarHBondContact OG1-OE2 3.26Å; G504-E508 PolarHBondContact O-N 2.89Å; M505-E508 PolarHBondContact O-N 3.49Å; V506-E508 PolarHBondContact O-N 2.93Å; E508-T511 PolarHBondContact O-OG1 2.9Å; E508-R512 CarbonylContact O-C 3.57Å; E508-R512 WeakPolarHBondContact O-CA 3.32Å; E508-R512 PolarHBondContact O-N 3.43Å; E508-R513 HydrophobicContact CB-CB 4.23Å; E508-R513 HydrophobicContact CG-CB 4.46Å; E508-R513 PolarHBondContact O-N 3.28Å; E508-A514 HydrophobicContact CB-CB 4.2Å; E508-A514 PolarHBondContact O-N 3.15Å
509L93.3Very high90.6Very high0 Ų032.8 Ų32.80%015%0.154CC..Hα-helixtrans-70.5-45.8173.6-69.2178.6000111.8M505 V506 Q507 T511 R512 A514 A517 F521 I531 P772M505-L509 WeakPolarHBondContact O-CG 3.31Å; M505-L509 PolarHBondContact O-N 3.41Å; V506-L509 PolarHBondContact O-N 3.41Å; Q507-L509 VanDerWaalsContact C-N 3.35Å; L509-T511 VanDerWaalsContact C-N 3.32Å; L509-T511 PolarHBondContact O-N 2.81Å; L509-R512 WeakPolarHBondContact O-CA 3.48Å; L509-R512 PolarHBondContact O-N 2.99Å; L509-A514 HydrophobicContact CD2-CB 4.16Å; L509-A517 HydrophobicContact CD1-CB 3.54Å; L509-A517 HydrophobicContact CD2-CB 4.22Å; L509-A517 HydrophobicContact CG-CB 4.02Å; L509-F521 HydrophobicContact CD1-CE1 4.32Å; L509-I531 HydrophobicContact CB-CG2 3.74Å; L509-I531 HydrophobicContact CD1-CB 4.38Å; L509-I531 HydrophobicContact CD1-CD1 3.68Å; L509-I531 HydrophobicContact CD1-CG2 4.19Å; L509-P772 HydrophobicContact CD2-CG 4.18Å
510R87.5Confident91.4Very high94 Ų9428.3 Ų28.336%0.35513%0.127SC..Hα-helixtrans-59.3-43.1176.2-72.1-173.978.8-155.66.1112V506 Q507 R512 V530 I531V506-R510 HydrophobicContact CG1-CG 4.28Å; V506-R510 WeakPolarHBondContact O-CG 3.31Å; V506-R510 PolarHBondContact O-N 3.28Å; Q507-R510 PolarHBondContact O-N 3.47Å; R510-R512 PolarHBondContact O-N 3.44Å; R510-V530 HydrophobicContact CG-CB 4.44Å; R510-I531 HydrophobicContact CG-CG2 4Å
511T84.8Confident91.9Very high31 Ų3125.1 Ų25.119%0.1911%0.112CC..THydrogen-bonded Turntrans-82.60.8176.360.10000113.7Q507 E508 L509 R513Q507-T511 HydrophobicContact CG-CG2 4.49Å; Q507-T511 WeakPolarHBondContact O-CB 3.35Å; Q507-T511 WeakPolarHBondContact O-CG2 3.38Å; Q507-T511 PolarHBondContact O-N 3.23Å; Q507-T511 PolarHBondContact O-OG1 3.15Å; E508-T511 PolarHBondContact O-OG1 2.9Å; L509-T511 VanDerWaalsContact C-N 3.32Å; L509-T511 PolarHBondContact O-N 2.81Å; T511-R513 PolarHBondContact O-N 2.97Å; T511-R513 VanDerWaalsContact O-N 3.15Å
512R84.9Confident92.4Very high39 Ų3922.9 Ų22.915%0.14710%0.098CC..THydrogen-bonded Turntrans55.928.5178.3-54.7175.7179.7176.1-2.5114.1F211 R432 E508 L509 R510 A514 P772F211-R512 VanDerWaalsContact CD1-CZ 3.48Å; F211-R512 VanDerWaalsContact CE2-NH2 3.29Å; F211-R512 VanDerWaalsContact CZ-CZ 3.5Å; R432-R512 PolarHBondContact NH1-O 3Å; R432-R512 PolarHBondContact NH2-O 2.89Å; E508-R512 CarbonylContact O-C 3.57Å; E508-R512 WeakPolarHBondContact O-CA 3.32Å; E508-R512 PolarHBondContact O-N 3.43Å; L509-R512 WeakPolarHBondContact O-CA 3.48Å; L509-R512 PolarHBondContact O-N 2.99Å; R510-R512 PolarHBondContact O-N 3.44Å; R512-A514 VanDerWaalsContact C-N 3.28Å; R512-P772 HydrophobicContact CG-CB 4.21Å; R512-P772 HydrophobicContact CG-CG 4.46Å
513R87Confident92.6Very high161 Ų16123.8 Ų23.861%0.60810%0.104SC*.SBendtrans-71.9-28.2169.4-71.4-179178.2152.41.8111.3R432 E508 T511R432-R513 VanDerWaalsContact CZ-O 3.29Å; R432-R513 PolarHBondContact NH1-O 2.94Å; E508-R513 HydrophobicContact CB-CB 4.23Å; E508-R513 HydrophobicContact CG-CB 4.46Å; E508-R513 PolarHBondContact O-N 3.28Å; T511-R513 PolarHBondContact O-N 2.97Å; T511-R513 VanDerWaalsContact O-N 3.15Å
514A92.8Very high92.7Very high2 Ų224.2 Ų24.22%0.01711%0.108CC..  trans-118151.5171.300000111.2T434 E508 L509 R512T434-A514 HydrophobicContact CG2-CB 3.49Å; T434-A514 VanDerWaalsContact CG2-CB 3.49Å; E508-A514 HydrophobicContact CB-CB 4.2Å; E508-A514 PolarHBondContact O-N 3.15Å; L509-A514 HydrophobicContact CD2-CB 4.16Å; R512-A514 VanDerWaalsContact C-N 3.28Å
515D93Very high92.6Very high14 Ų1432.2 Ų32.28%0.07514%0.138CC..SBendtrans-96.1-30.5176.8-54.2-51.1000111.3L431 R432 P772L431-D515 HydrophobicContact CB-CB 4.38Å; L431-D515 HydrophobicContact CD2-CB 4.27Å; R432-D515 WeakPolarHBondContact CB-OD2 3.31Å; R432-D515 IonicContact CZ-OD1 3.38Å; R432-D515 IonicContact CZ-OD2 3.15Å; R432-D515 PolarHBondContact N-OD2 2.77Å; R432-D515 IonicContact NE-OD1 3.74Å; R432-D515 IonicContact NE-OD2 3.36Å; R432-D515 PolarHBondContact NE-OD2 2.89Å; R432-D515 IonicContact NH2-OD1 3.39Å; R432-D515 PolarHBondContact NH2-OD1 3.32Å; R432-D515 IonicContact NH2-OD2 3.26Å; R432-D515 PolarHBondContact O-N 2.99Å; D515-P772 VanDerWaalsContact O-CD 3.27Å; D515-P772 WeakPolarHBondContact O-CD 3.33Å
516L96.8Very high92.3Very high1 Ų134 Ų341%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-138146174.4-56.6175.2000110.5L431 R432 I433 T434 V518 I769 G770 L771 I781L431-L516 HydrophobicContact CD1-CD1 3.65Å; L431-L516 HydrophobicContact CD1-CG 4.15Å; R432-L516 PolarHBondContact O-N 3.48Å; I433-L516 CarbonylContact C-O 3.56Å; I433-L516 VanDerWaalsContact CA-O 3.31Å; I433-L516 WeakPolarHBondContact CA-O 3.14Å; I433-L516 HydrophobicContact CD1-CD1 4.38Å; I433-L516 HydrophobicContact CG1-CB 4.26Å; I433-L516 HydrophobicContact CG1-CD1 4.4Å; T434-L516 PolarHBondContact N-O 2.95Å; L516-V518 HydrophobicContact CB-CG2 4.28Å; L516-I769 HydrophobicContact CB-CG2 4.09Å; L516-I769 HydrophobicContact CD2-CG2 3.95Å; L516-I769 HydrophobicContact CG-CG2 4.44Å; L516-G770 CarbonylContact C-O 3.55Å; L516-G770 VanDerWaalsContact CA-O 3.31Å; L516-G770 WeakPolarHBondContact CA-O 3.28Å; L516-L771 HydrophobicContact CD2-CD2 3.54Å; L516-L771 HydrophobicContact CD2-CG 3.7Å; L516-I781 HydrophobicContact CD1-CD1 4.17Å; L516-I781 HydrophobicContact CD2-CD1 3.76Å
517A97.5Very high92.3Very high0 Ų034.4 Ų34.40%015%0.15CC..EExtended strand (participates in β ladder)trans-114.2122.4166.700000109.7T434 M505 L509 F521 I769 G770T434-A517 HydrophobicContact CG2-CB 3.64Å; T434-A517 WeakPolarHBondContact O-CA 3.47Å; M505-A517 HydrophobicContact CB-CB 4.03Å; M505-A517 HydrophobicContact SD-CB 4.09Å; L509-A517 HydrophobicContact CD1-CB 3.54Å; L509-A517 HydrophobicContact CD2-CB 4.22Å; L509-A517 HydrophobicContact CG-CB 4.02Å; A517-F521 HydrophobicContact CB-CD1 3.88Å; A517-F521 HydrophobicContact CB-CE1 3.73Å; A517-I769 WeakPolarHBondContact O-CA 3.44Å; A517-G770 PolarHBondContact N-O 2.77Å; A517-G770 PolarHBondContact O-N 3.39Å
518V96.9Very high92.2Very high0 Ų035.1 Ų35.10%015%0.153CC..  trans-135133.2-173.2-171.10000110.1I433 T434 T435 C465 L469 L516 I769I433-V518 HydrophobicContact CG2-CB 4.02Å; I433-V518 HydrophobicContact CG2-CG2 3.82Å; T434-V518 PolarHBondContact O-N 3.34Å; T434-V518 VanDerWaalsContact O-N 3.15Å; T435-V518 WeakPolarHBondContact CB-O 3.38Å; T435-V518 PolarHBondContact OG1-O 2.9Å; C465-V518 HydrophobicContact CB-CG1 3.82Å; L469-V518 HydrophobicContact CD1-CB 4.29Å; L469-V518 HydrophobicContact CD1-CG1 4.17Å; L469-V518 HydrophobicContact CD1-CG2 4.32Å; L469-V518 HydrophobicContact CD2-CG2 4.13Å; L469-V518 HydrophobicContact CG-CG1 4.32Å; L469-V518 HydrophobicContact CG-CG2 4.5Å; L516-V518 HydrophobicContact CB-CG2 4.28Å; V518-I769 HydrophobicContact CG1-CG1 4.44Å; V518-I769 HydrophobicContact CG2-CB 4.43Å; V518-I769 HydrophobicContact CG2-CD1 4.31Å; V518-I769 HydrophobicContact CG2-CG1 4.08Å; V518-I769 HydrophobicContact CG2-CG2 3.82Å
519G94.7Very high92Very high0 Ų038.3 Ų38.30%016%0.164CC..SBendtrans164.6-156.9-179.900000109.7F521 F537G519-F521 PolarHBondContact O-N 3.14Å; G519-F537 WeakPolarHBondContact O-CZ 3.39Å
520S94.1Very high91.7Very high2 Ų238.9 Ų38.91%0.01417%0.168CC..SBendtrans-70.751.8164.118.90000110.7E438 Y441 Y490 T522 Y767E438-S520 PolarHBondContact OE2-OG 3.23Å; Y441-S520 WeakPolarHBondContact CD2-OG 2.95Å; Y490-S520 WeakPolarHBondContact CE1-O 3.46Å; Y490-S520 PolarHBondContact OH-OG 3.43Å; S520-T522 PolarHBondContact O-N 2.98Å; S520-Y767 VanDerWaalsContact C-CD1 3.47Å; S520-Y767 VanDerWaalsContact C-CE1 3.47Å; S520-Y767 WeakPolarHBondContact O-CE1 3.2Å
521F94.8Very high92Very high0 Ų034.5 Ų34.50%015%0.151CC..  trans-88.892-172.5-166.1-157.3000110.3Y490 M505 V506 L509 A517 G519 I523 I531 F533 Y767 G768Y490-F521 HydrophobicContact CD1-CB 4.27Å; Y490-F521 AromaticContact CD1-CD2 3.78Å; Y490-F521 HydrophobicContact CD1-CD2 3.78Å; Y490-F521 HydrophobicContact CD1-CG 4.35Å; Y490-F521 HydrophobicContact CE1-CB 4.5Å; Y490-F521 HydrophobicContact CG-CD2 4.45Å; Y490-F521 WeakPolarHBondContact O-CE2 3.23Å; M505-F521 HydrophobicContact CE-CB 4.4Å; M505-F521 HydrophobicContact CE-CD2 4.17Å; M505-F521 HydrophobicContact CE-CG 4.16Å; V506-F521 HydrophobicContact CG2-CE2 4.07Å; V506-F521 HydrophobicContact CG2-CZ 3.7Å; L509-F521 HydrophobicContact CD1-CE1 4.32Å; A517-F521 HydrophobicContact CB-CD1 3.88Å; A517-F521 HydrophobicContact CB-CE1 3.73Å; G519-F521 PolarHBondContact O-N 3.14Å; F521-I523 PolarHBondContact O-N 2.89Å; F521-I531 HydrophobicContact CE1-CD1 3.69Å; F521-I531 HydrophobicContact CZ-CD1 3.62Å; F521-F533 AromaticContact CD1-CE1 3.5Å; F521-F533 HydrophobicContact CD1-CE1 3.5Å; F521-F533 HydrophobicContact CD1-CZ 4.01Å; F521-F533 AromaticContact CE1-CE1 3.55Å; F521-F533 HydrophobicContact CE1-CE1 3.55Å; F521-F533 AromaticContact CE1-CZ 3.64Å; F521-F533 HydrophobicContact CE1-CZ 3.64Å; F521-F533 HydrophobicContact CE2-CZ 4.28Å; F521-F533 HydrophobicContact CG-CE1 4.06Å; F521-F533 HydrophobicContact CG-CZ 4.47Å; F521-F533 HydrophobicContact CZ-CE1 4.16Å; F521-F533 AromaticContact CZ-CZ 3.8Å; F521-F533 HydrophobicContact CZ-CZ 3.8Å; F521-Y767 WeakPolarHBondContact O-CA 3.43Å; F521-G768 PolarHBondContact O-N 3.31Å
522T95.1Very high92.4Very high4 Ų434.3 Ų34.33%0.02515%0.149CC..BIsolated β-bridgetrans-61.4126.3-179.6-30.80000110.8S520 T524 R527 S693 E741 K765S520-T522 PolarHBondContact O-N 2.98Å; T522-T524 HydrophobicContact CG2-CG2 4.41Å; T522-T524 PolarHBondContact O-N 3.25Å; T522-R527 PolarHBondContact O-NH1 3.18Å; T522-S693 PolarHBondContact OG1-OG 3.43Å; T522-S693 VanDerWaalsContact OG1-OG 3.12Å; T522-E741 WeakPolarHBondContact CG2-OE1 3.09Å; T522-E741 PolarHBondContact OG1-OE1 2.78Å; T522-K765 HydrophobicContact CG2-CB 4.19Å; T522-K765 HydrophobicContact CG2-CD 3.87Å; T522-K765 HydrophobicContact CG2-CG 4.27Å
523I94.8Very high93Very high36 Ų3633.3 Ų33.319%0.18515%0.145CC..  trans-70.5119.2169.6-57.3165000107.5F521 F533 P536 G766F521-I523 PolarHBondContact O-N 2.89Å; I523-F533 HydrophobicContact CD1-CB 4.42Å; I523-F533 HydrophobicContact CG1-CB 4.23Å; I523-F533 HydrophobicContact CG1-CD1 3.69Å; I523-F533 HydrophobicContact CG1-CD2 4.42Å; I523-F533 HydrophobicContact CG1-CE1 4.06Å; I523-F533 HydrophobicContact CG1-CG 3.87Å; I523-F533 HydrophobicContact CG2-CD2 4.14Å; I523-F533 HydrophobicContact CG2-CG 4.3Å; I523-P536 HydrophobicContact CD1-CB 4.14Å; I523-P536 HydrophobicContact CD1-CG 3.75Å; I523-G766 WeakPolarHBondContact CG1-O 3.42Å; I523-G766 PolarHBondContact N-O 3.37Å
524T92.1Very high93.4Very high35 Ų3526 Ų2622%0.21512%0.119CC..  trans-128.7154.5173.667.90000109.3T522 D526 R527 E528T522-T524 HydrophobicContact CG2-CG2 4.41Å; T522-T524 PolarHBondContact O-N 3.25Å; T524-D526 VanDerWaalsContact C-N 3.33Å; T524-D526 PolarHBondContact O-N 3.33Å; T524-R527 PolarHBondContact O-N 2.93Å; T524-R527 VanDerWaalsContact O-N 3.15Å; T524-R527 WeakPolarHBondContact OG1-CD 3.4Å; T524-R527 VanDerWaalsContact OG1-CG 3.28Å; T524-R527 WeakPolarHBondContact OG1-CG 3.49Å; T524-E528 PolarHBondContact O-N 2.7Å
525Y90Very high93.5Very high169 Ų16928 Ų2866%0.66313%0.131SC*.Hα-helixtrans-55.1-46.3-179.6173-102.5000112.4R527 E528 R529Y525-R527 VanDerWaalsContact C-N 3.28Å; Y525-R527 PolarHBondContact O-N 3.37Å; Y525-E528 PolarHBondContact O-N 3.12Å; Y525-R529 PolarHBondContact O-N 3.43Å
526D89.1Confident93.7Very high39 Ų3928.7 Ų28.721%0.20914%0.136CC..Hα-helixtrans-64.8-32.5-179.3-61.8-61.6000113.4W502 T524 R529W502-D526 HydrophobicContact CH2-CB 3.81Å; W502-D526 WeakPolarHBondContact CH2-O 3.28Å; W502-D526 HydrophobicContact CZ2-CB 4.23Å; W502-D526 WeakPolarHBondContact CZ2-O 3.42Å; T524-D526 VanDerWaalsContact C-N 3.33Å; T524-D526 PolarHBondContact O-N 3.33Å; D526-R529 IonicContact OD1-CZ 3.43Å; D526-R529 IonicContact OD1-NH1 3.98Å; D526-R529 PolarHBondContact OD1-NH1 2.95Å; D526-R529 IonicContact OD1-NH2 3.88Å; D526-R529 PolarHBondContact OD1-NH2 2.83Å
527R93Very high93.7Very high7 Ų729 Ų293%0.02614%0.137CC..Hα-helixtrans-73.6-47.1175.4-67.1174.2176164.90.5110.7G491 W502 V506 T522 T524 Y525 R529 V530 I531 F533G491-R527 PolarHBondContact O-NE 2.84Å; G491-R527 VanDerWaalsContact O-NE 3.12Å; G491-R527 PolarHBondContact O-NH2 2.99Å; W502-R527 HydrophobicContact CH2-CG 4.14Å; W502-R527 HydrophobicContact CZ3-CG 3.94Å; V506-R527 HydrophobicContact CG2-CG 3.91Å; T522-R527 PolarHBondContact O-NH1 3.18Å; T524-R527 PolarHBondContact O-N 2.93Å; T524-R527 VanDerWaalsContact O-N 3.15Å; T524-R527 WeakPolarHBondContact OG1-CD 3.4Å; T524-R527 VanDerWaalsContact OG1-CG 3.28Å; T524-R527 WeakPolarHBondContact OG1-CG 3.49Å; Y525-R527 VanDerWaalsContact C-N 3.28Å; Y525-R527 PolarHBondContact O-N 3.37Å; R527-R529 PolarHBondContact O-N 3.32Å; R527-V530 WeakPolarHBondContact O-CG2 3.43Å; R527-V530 PolarHBondContact O-N 3.35Å; R527-I531 HydrophobicContact CB-CG1 4.42Å; R527-I531 WeakPolarHBondContact O-CG1 3.12Å; R527-I531 PolarHBondContact O-N 3.17Å; R527-F533 HydrophobicContact CB-CE2 3.7Å; R527-F533 HydrophobicContact CB-CZ 4.02Å
528E90.8Very high93.5Very high73 Ų7329.6 Ų29.634%0.34114%0.14SC..Hα-helixtrans-60.9-25.1179.4-166.2-174166.600112.5T524 Y525 V530 I531 F533 R1039T524-E528 PolarHBondContact O-N 2.7Å; Y525-E528 PolarHBondContact O-N 3.12Å; E528-V530 VanDerWaalsContact C-N 3.31Å; E528-V530 PolarHBondContact O-N 3.47Å; E528-I531 CarbonylContact C-O 3.56Å; E528-I531 VanDerWaalsContact CA-O 3.32Å; E528-I531 WeakPolarHBondContact CA-O 3.45Å; E528-F533 HydrophobicContact CB-CD2 4.27Å; E528-R1039 IonicContact OE1-CZ 3.71Å; E528-R1039 IonicContact OE1-NH1 2.79Å; E528-R1039 PolarHBondContact OE1-NH1 3.37Å; E528-R1039 IonicContact OE1-NH2 3.22Å; E528-R1039 PolarHBondContact OE1-NH2 3.03Å; E528-R1039 VanDerWaalsContact OE1-NH2 3.12Å
529R88.8Confident93.4Very high97 Ų9736.6 Ų36.637%0.36617%0.168SC..THydrogen-bonded Turntrans-69.3-25.3174.7-174177.263.6-114.4-1.7113.6E500 Y525 D526 R527E500-R529 IonicContact OE1-NH2 3.82Å; E500-R529 PolarHBondContact OE1-NH2 3.48Å; Y525-R529 PolarHBondContact O-N 3.43Å; D526-R529 IonicContact OD1-CZ 3.43Å; D526-R529 IonicContact OD1-NH1 3.98Å; D526-R529 PolarHBondContact OD1-NH1 2.95Å; D526-R529 IonicContact OD1-NH2 3.88Å; D526-R529 PolarHBondContact OD1-NH2 2.83Å; R527-R529 PolarHBondContact O-N 3.32Å
530V88.3Confident93.4Very high13 Ų1336.8 Ų36.88%0.07917%0.169CC..THydrogen-bonded Turntrans-118.9-10.9-173.4-59.60000114.1W502 V506 R510 R527 E528W502-V530 HydrophobicContact CD2-CG2 4.3Å; W502-V530 HydrophobicContact CH2-CG2 4.3Å; W502-V530 HydrophobicContact CZ2-CG1 4.28Å; W502-V530 HydrophobicContact CZ2-CG2 3.8Å; V506-V530 HydrophobicContact CG1-CG2 3.68Å; R510-V530 HydrophobicContact CG-CB 4.44Å; R527-V530 WeakPolarHBondContact O-CG2 3.43Å; R527-V530 PolarHBondContact O-N 3.35Å; E528-V530 VanDerWaalsContact C-N 3.31Å; E528-V530 PolarHBondContact O-N 3.47Å
531I92.6Very high93.4Very high1 Ų136.7 Ų36.71%0.00517%0.168CC..SBendtrans-144.4155175.357.8161.5000109.8V506 L509 R510 F521 R527 E528 F533 L771V506-I531 HydrophobicContact CG1-CG2 4.15Å; V506-I531 HydrophobicContact CG2-CD1 4.16Å; L509-I531 HydrophobicContact CB-CG2 3.74Å; L509-I531 HydrophobicContact CD1-CB 4.38Å; L509-I531 HydrophobicContact CD1-CD1 3.68Å; L509-I531 HydrophobicContact CD1-CG2 4.19Å; R510-I531 HydrophobicContact CG-CG2 4Å; F521-I531 HydrophobicContact CE1-CD1 3.69Å; F521-I531 HydrophobicContact CZ-CD1 3.62Å; R527-I531 HydrophobicContact CB-CG1 4.42Å; R527-I531 WeakPolarHBondContact O-CG1 3.12Å; R527-I531 PolarHBondContact O-N 3.17Å; E528-I531 CarbonylContact C-O 3.56Å; E528-I531 VanDerWaalsContact CA-O 3.32Å; E528-I531 WeakPolarHBondContact CA-O 3.45Å; I531-F533 HydrophobicContact CD1-CE1 4.44Å; I531-F533 HydrophobicContact CD1-CE2 3.75Å; I531-F533 HydrophobicContact CD1-CZ 3.7Å; I531-F533 HydrophobicContact CG1-CE2 3.92Å; I531-F533 HydrophobicContact CG1-CZ 4.39Å; I531-L771 WeakPolarHBondContact CB-O 3.42Å
532D93.3Very high93.4Very high27 Ų2736.7 Ų36.714%0.14417%0.168CC..EExtended strand (participates in β ladder)trans-85.2148.2174.2-89.6-54.5000111.2G770 L771 G774 R778D532-G770 CarbonylContact O-C 3.58Å; D532-G770 WeakPolarHBondContact O-CA 3.44Å; D532-L771 HydrophobicContact CB-CB 4.33Å; D532-L771 PolarHBondContact N-O 2.99Å; D532-L771 PolarHBondContact O-N 2.68Å; D532-G774 PolarHBondContact OD2-N 2.69Å; D532-R778 IonicContact OD1-NH1 3.43Å; D532-R778 PolarHBondContact OD1-NH1 3.49Å
533F96.6Very high93.3Very high18 Ų1836.5 Ų36.58%0.07917%0.167CC..EExtended strand (participates in β ladder)trans-118.5149.4169-77.8-84.8000111.5F521 I523 R527 E528 I531 I769 R778F521-F533 AromaticContact CD1-CE1 3.5Å; F521-F533 HydrophobicContact CD1-CE1 3.5Å; F521-F533 HydrophobicContact CD1-CZ 4.01Å; F521-F533 AromaticContact CE1-CE1 3.55Å; F521-F533 HydrophobicContact CE1-CE1 3.55Å; F521-F533 AromaticContact CE1-CZ 3.64Å; F521-F533 HydrophobicContact CE1-CZ 3.64Å; F521-F533 HydrophobicContact CE2-CZ 4.28Å; F521-F533 HydrophobicContact CG-CE1 4.06Å; F521-F533 HydrophobicContact CG-CZ 4.47Å; F521-F533 HydrophobicContact CZ-CE1 4.16Å; F521-F533 AromaticContact CZ-CZ 3.8Å; F521-F533 HydrophobicContact CZ-CZ 3.8Å; I523-F533 HydrophobicContact CD1-CB 4.42Å; I523-F533 HydrophobicContact CG1-CB 4.23Å; I523-F533 HydrophobicContact CG1-CD1 3.69Å; I523-F533 HydrophobicContact CG1-CD2 4.42Å; I523-F533 HydrophobicContact CG1-CE1 4.06Å; I523-F533 HydrophobicContact CG1-CG 3.87Å; I523-F533 HydrophobicContact CG2-CD2 4.14Å; I523-F533 HydrophobicContact CG2-CG 4.3Å; R527-F533 HydrophobicContact CB-CE2 3.7Å; R527-F533 HydrophobicContact CB-CZ 4.02Å; E528-F533 HydrophobicContact CB-CD2 4.27Å; I531-F533 HydrophobicContact CD1-CE1 4.44Å; I531-F533 HydrophobicContact CD1-CE2 3.75Å; I531-F533 HydrophobicContact CD1-CZ 3.7Å; I531-F533 HydrophobicContact CG1-CE2 3.92Å; I531-F533 HydrophobicContact CG1-CZ 4.39Å; F533-I769 WeakPolarHBondContact CA-O 3.33Å; F533-R778 WeakPolarHBondContact O-CD 3.47Å
534T97Very high93.3Very high7 Ų734.9 Ų34.94%0.04316%0.159CC..PPolyproline II helixtrans-70170.7163.664.50000111.4I769 L771 I781 S782 I785T534-I769 HydrophobicContact CG2-CB 3.79Å; T534-I769 HydrophobicContact CG2-CG2 4.4Å; T534-I769 PolarHBondContact N-O 3.44Å; T534-I769 PolarHBondContact OG1-N 3.46Å; T534-I769 VanDerWaalsContact OG1-N 3.07Å; T534-L771 HydrophobicContact CG2-CD1 3.73Å; T534-I781 HydrophobicContact CG2-CB 4.22Å; T534-I781 HydrophobicContact CG2-CG2 3.78Å; T534-S782 VanDerWaalsContact CA-OG 3.27Å; T534-S782 WeakPolarHBondContact CA-OG 3.49Å; T534-S782 VanDerWaalsContact CB-OG 3.31Å; T534-S782 WeakPolarHBondContact CB-OG 3.19Å; T534-I785 HydrophobicContact CG2-CD1 4.17Å; T534-I785 WeakPolarHBondContact OG1-CD1 3.17Å
535T94.8Very high93.4Very high46 Ų4633.2 Ų33.228%0.28215%0.148SC..SBendtrans-51.5141.9159.750.20000110.4F537 S782 L786T535-F537 PolarHBondContact O-N 2.88Å; T535-S782 PolarHBondContact N-OG 3.48Å; T535-S782 WeakPolarHBondContact OG1-CB 3.35Å; T535-S782 PolarHBondContact OG1-O 3.18Å; T535-L786 HydrophobicContact CG2-CD1 4.49Å
536P96.7Very high93.6Very high28 Ų2825.5 Ų25.518%0.18212%0.118CC..PPolyproline II helixtrans-61.3128.8-177.6-19.128.2000111I523 Y539 Y767 Q789I523-P536 HydrophobicContact CD1-CB 4.14Å; I523-P536 HydrophobicContact CD1-CG 3.75Å; P536-Y539 HydrophobicContact CB-CD1 4.49Å; P536-Y539 HydrophobicContact CB-CE1 4.08Å; P536-Y539 HydrophobicContact CG-CE1 4.01Å; P536-Y767 CarbonylContact C-O 3.44Å; P536-Y767 WeakPolarHBondContact CA-O 3.24Å; P536-Q789 PolarHBondContact O-NE2 3.48Å
537F95.8Very high93.6Very high6 Ų626.5 Ų26.53%0.02612%0.121CC..SBendtrans-83.5-16.9173.765.4-102.2000111.9F464 L468 G519 T535 Y767 I769 I785 L794F464-F537 HydrophobicContact CD1-CE2 4.23Å; F464-F537 AromaticContact CE1-CD2 3.6Å; F464-F537 HydrophobicContact CE1-CD2 3.6Å; F464-F537 AromaticContact CE1-CE2 3.57Å; F464-F537 HydrophobicContact CE1-CE2 3.57Å; F464-F537 HydrophobicContact CZ-CD2 4.23Å; L468-F537 HydrophobicContact CD2-CB 4.03Å; L468-F537 HydrophobicContact CD2-CD1 3.86Å; L468-F537 HydrophobicContact CD2-CD2 3.84Å; L468-F537 HydrophobicContact CD2-CE1 4.26Å; L468-F537 HydrophobicContact CD2-CE2 4.26Å; L468-F537 HydrophobicContact CD2-CG 3.63Å; L468-F537 HydrophobicContact CD2-CZ 4.45Å; G519-F537 WeakPolarHBondContact O-CZ 3.39Å; T535-F537 PolarHBondContact O-N 2.88Å; F537-Y767 WeakPolarHBondContact CD1-O 3.21Å; F537-Y767 HydrophobicContact CE2-CD2 4.42Å; F537-Y767 VanDerWaalsContact CZ-CB 3.48Å; F537-Y767 HydrophobicContact CZ-CG 4.39Å; F537-Y767 PolarHBondContact N-O 3.15Å; F537-I769 HydrophobicContact CD1-CG1 4.18Å; F537-I769 HydrophobicContact CE1-CG1 4.31Å; F537-I785 HydrophobicContact CB-CD1 4.4Å; F537-I785 HydrophobicContact CB-CG2 3.81Å; F537-L794 HydrophobicContact CB-CD1 4.16Å; F537-L794 VanDerWaalsContact O-CD1 3.27Å; F537-L794 WeakPolarHBondContact O-CD1 3.26Å
538M94.9Very high93.2Very high13 Ų1329.9 Ų29.96%0.06413%0.134CC..EExtended strand (participates in β ladder)trans-148.1131.1178.9-176172.6-73.100110.5Y441 F464 T743 G766 Y767 K798 W802Y441-M538 HydrophobicContact CE1-SD 4.35Å; F464-M538 HydrophobicContact CD1-CE 4.29Å; F464-M538 HydrophobicContact CD2-CE 4.24Å; F464-M538 HydrophobicContact CE1-CE 3.85Å; F464-M538 HydrophobicContact CE2-CE 3.76Å; F464-M538 HydrophobicContact CG-CE 4.49Å; F464-M538 HydrophobicContact CZ-CE 3.56Å; M538-T743 HydrophobicContact CG-CG2 3.95Å; M538-T743 HydrophobicContact SD-CG2 3.39Å; M538-T743 WeakPolarHBondContact SD-CG2 3.23Å; M538-G766 CarbonylContact O-C 3.5Å; M538-G766 VanDerWaalsContact O-CA 3.28Å; M538-G766 WeakPolarHBondContact O-CA 3.47Å; M538-Y767 HydrophobicContact CB-CD2 4.14Å; M538-Y767 HydrophobicContact CG-CD2 4.28Å; M538-Y767 PolarHBondContact O-N 3.14Å; M538-Y767 HydrophobicContact SD-CD2 4.04Å; M538-Y767 HydrophobicContact SD-CE2 4.22Å; M538-K798 HydrophobicContact CE-CB 4.49Å; M538-K798 HydrophobicContact CE-CD 4.39Å; M538-K798 HydrophobicContact CE-CG 4.21Å; M538-W802 HydrophobicContact CE-CH2 3.92Å; M538-W802 HydrophobicContact CE-CZ3 4.11Å; M538-W802 HydrophobicContact SD-CH2 4.3Å; M538-W802 HydrophobicContact SD-CZ2 4.49Å
539Y94.5Very high92.4Very high147 Ų14728 Ų2858%0.57613%0.128SC*.EExtended strand (participates in β ladder)trans-96.5140.7174.8-63.8-83.5000110.7P536P536-Y539 HydrophobicContact CB-CD1 4.49Å; P536-Y539 HydrophobicContact CB-CE1 4.08Å; P536-Y539 HydrophobicContact CG-CE1 4.01Å
540L94.2Very high91.2Very high5 Ų532.2 Ų32.23%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-152.4178-175.263.9142.3000111.4E741 T743 K765 Y767L540-E741 HydrophobicContact CD1-CB 3.52Å; L540-E741 VanDerWaalsContact CD1-CD 3.43Å; L540-E741 HydrophobicContact CD1-CG 3.53Å; L540-T743 HydrophobicContact CB-CG2 3.8Å; L540-K765 HydrophobicContact CG-CB 4.14Å; L540-K765 PolarHBondContact N-O 2.83Å; L540-K765 CarbonylContact O-C 3.55Å; L540-K765 PolarHBondContact O-N 3.18Å; L540-Y767 HydrophobicContact CD1-CD1 4.37Å; L540-Y767 HydrophobicContact CD1-CE1 3.66Å; L540-Y767 HydrophobicContact CD1-CE2 4.19Å; L540-Y767 HydrophobicContact CD2-CD1 3.66Å; L540-Y767 HydrophobicContact CD2-CD2 3.72Å; L540-Y767 HydrophobicContact CD2-CE1 3.78Å; L540-Y767 HydrophobicContact CD2-CE2 3.8Å; L540-Y767 HydrophobicContact CD2-CG 3.64Å; L540-Y767 HydrophobicContact CG-CE1 4.41Å
541G94.1Very high89.9Confident0 Ų036.6 Ų36.60%018%0.175CC..  trans-157.4168170.200000109.9E741 S742 D763G541-E741 CarbonylContact O-C 3.51Å; G541-S742 PolarHBondContact N-OG 3.3Å; G541-S742 VanDerWaalsContact N-OG 3.16Å; G541-S742 VanDerWaalsContact O-CB 3.26Å; G541-S742 WeakPolarHBondContact O-CB 3.44Å; G541-S742 PolarHBondContact O-N 2.86Å; G541-S742 PolarHBondContact O-OG 3.32Å; G541-D763 VanDerWaalsContact CA-O 3.32Å; G541-D763 WeakPolarHBondContact CA-O 3.23Å; G541-D763 VanDerWaalsContact CA-OD1 3.27Å; G541-D763 WeakPolarHBondContact CA-OD1 3.47Å
542I94.9Very high88Confident0 Ų045.1 Ų45.10%021%0.211CC..EExtended strand (participates in β ladder)trans-67.6134.4172.3-60.1166.8000107.7T694 F697 F698 L739 L761 L762 D763I542-T694 HydrophobicContact CD1-CG2 4.04Å; I542-T694 HydrophobicContact CG1-CG2 4.11Å; I542-T694 HydrophobicContact CG2-CG2 4.08Å; I542-F697 HydrophobicContact CD1-CB 3.87Å; I542-F697 HydrophobicContact CD1-CD1 3.25Å; I542-F697 HydrophobicContact CD1-CD2 4.26Å; I542-F697 HydrophobicContact CD1-CE1 3.79Å; I542-F697 HydrophobicContact CD1-CG 3.52Å; I542-F697 HydrophobicContact CD1-CZ 4.46Å; I542-F698 HydrophobicContact CD1-CE2 4.23Å; I542-F698 HydrophobicContact CG2-CE2 4.25Å; I542-F698 HydrophobicContact CG2-CZ 4.25Å; I542-L739 HydrophobicContact CG2-CB 4.44Å; I542-L761 WeakPolarHBondContact O-CA 3.43Å; I542-L762 HydrophobicContact CB-CB 4.24Å; I542-L762 HydrophobicContact CB-CD1 4.46Å; I542-L762 HydrophobicContact CG2-CD1 3.9Å; I542-L762 HydrophobicContact CG2-CG 4.44Å; I542-L762 PolarHBondContact O-N 3.06Å; I542-D763 WeakPolarHBondContact CD1-OD2 3.35Å; I542-D763 WeakPolarHBondContact CG1-OD1 3.32Å; I542-D763 PolarHBondContact N-OD1 3.27Å
543S94.1Very high86.1Confident0 Ų052.1 Ų52.10%024%0.243CC..EExtended strand (participates in β ladder)trans-134.6160.317967.30000109.6L740 S742 N745S543-L740 PolarHBondContact N-O 3Å; S543-L740 PolarHBondContact O-N 3.03Å; S543-L740 PolarHBondContact OG-O 3.26Å; S543-L740 VanDerWaalsContact OG-O 3.09Å; S543-S742 WeakPolarHBondContact OG-CA 3.1Å; S543-N745 VanDerWaalsContact OG-CB 3.26Å; S543-N745 WeakPolarHBondContact OG-CB 3.21Å; S543-N745 PolarHBondContact OG-ND2 3.36Å
544I94.4Very high84.2Confident1 Ų156.1 Ų56.11%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-100.3124.7177.2-59.5155.1000107.7I672 A675 L678 A737 L739 N745 Q757 V758I544-I672 HydrophobicContact CG2-CD1 4.25Å; I544-A675 HydrophobicContact CD1-CB 4.15Å; I544-L678 HydrophobicContact CD1-CD1 3.74Å; I544-L678 HydrophobicContact CG1-CD1 4.09Å; I544-L678 HydrophobicContact CG2-CD1 4.04Å; I544-A737 HydrophobicContact CG2-CB 3.97Å; I544-L739 HydrophobicContact CG1-CD2 3.6Å; I544-N745 PolarHBondContact O-ND2 3.16Å; I544-N745 VanDerWaalsContact O-ND2 3.12Å; I544-Q757 WeakPolarHBondContact O-CA 3.48Å; I544-V758 HydrophobicContact CB-CB 4.08Å; I544-V758 HydrophobicContact CG2-CB 4.03Å; I544-V758 PolarHBondContact O-N 3.35Å
545I93.9Very high82.5Confident0 Ų062.3 Ų62.30%030%0.302CS..EExtended strand (participates in β ladder)trans-102.7131.3165.7-163.1168.1000109.6I728 V731 F738 L740 N745 T749 L755I545-I728 HydrophobicContact CD1-CD1 3.84Å; I545-I728 HydrophobicContact CG2-CD1 4.04Å; I545-V731 HydrophobicContact CG2-CG2 4.39Å; I545-F738 HydrophobicContact CG2-CB 3.71Å; I545-F738 HydrophobicContact CG2-CD1 3.89Å; I545-F738 HydrophobicContact CG2-CG 4.31Å; I545-F738 PolarHBondContact N-O 2.83Å; I545-F738 PolarHBondContact O-N 3.19Å; I545-L740 HydrophobicContact CB-CD2 3.76Å; I545-L740 HydrophobicContact CG2-CD1 4.35Å; I545-L740 HydrophobicContact CG2-CD2 3.51Å; I545-N745 WeakPolarHBondContact CD1-OD1 3.47Å; I545-N745 WeakPolarHBondContact CG1-OD1 3.44Å; I545-T749 HydrophobicContact CD1-CG2 3.87Å; I545-T749 HydrophobicContact CG1-CG2 4.16Å; I545-L755 HydrophobicContact CD1-CB 4.08Å; I545-L755 HydrophobicContact CD1-CD1 3.84Å; I545-L755 HydrophobicContact CD1-CG 4.4Å; I545-L755 HydrophobicContact CG1-CB 4.17Å
546Y93.2Very high81.3Confident8 Ų867.8 Ų67.83%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-139.4160.4179.9-166.4-116.9000110.5P671 I672 I684 Y736 A737 M756Y546-P671 HydrophobicContact CD1-CG 4.41Å; Y546-P671 HydrophobicContact CE1-CG 3.64Å; Y546-I672 HydrophobicContact CD1-CD1 4.44Å; Y546-I672 HydrophobicContact CD2-CD1 4.5Å; Y546-I672 HydrophobicContact CG-CD1 4.19Å; Y546-I684 HydrophobicContact CE2-CG2 3.91Å; Y546-Y736 WeakPolarHBondContact CD2-O 3.36Å; Y546-A737 HydrophobicContact CD2-CB 3.85Å; Y546-A737 HydrophobicContact CE2-CB 4.46Å; Y546-M756 PolarHBondContact N-O 3.34Å; Y546-M756 PolarHBondContact O-N 2.98Å
547K90.1Very high80.3Confident59 Ų5973.3 Ų73.326%0.25735%0.35SS..EExtended strand (participates in β ladder)trans-67.6134.8173.267.8-175.9-179.2-166.80110.2E734 E754K547-E734 PolarHBondContact NZ-O 2.87Å; K547-E754 CarbonylContact C-O 3.52Å; K547-E754 WeakPolarHBondContact CA-O 3.31Å
548R83.1Confident79.1Confident79 Ų7975.4 Ų75.430%0.29837%0.366SS..PPolyproline II helixtrans-63.1124.2172.2-171173.5-63178.26.5107.9E550 M668 C753 E754 L755 M756R548-E550 PolarHBondContact O-N 2.8Å; R548-M668 HydrophobicContact CG-SD 4.39Å; R548-C753 PolarHBondContact NE-O 3.29Å; R548-C753 PolarHBondContact NH1-O 3.16Å; R548-C753 PolarHBondContact NH2-O 3.5Å; R548-E754 PolarHBondContact N-O 3.3Å; R548-L755 PolarHBondContact NH2-O 3.38Å; R548-M756 HydrophobicContact CB-CG 4.41Å; R548-M756 HydrophobicContact CG-SD 4.45Å
549P74.2Confident78.3Confident34 Ų3479.6 Ų79.622%0.22138%0.383CS..PPolyproline II helixtrans-62.9135.5176.124.2-30.1000109.3
550E65.3Low77.7Confident184 Ų18475.9 Ų75.986%0.8637%0.373SS*.PPolyproline II helixtrans-61139171.8-68.7176.6177.900109.4R548 K552R548-E550 PolarHBondContact O-N 2.8Å; E550-K552 PolarHBondContact O-N 3.43Å
551D60Low76.9Confident106 Ų10678.7 Ų78.757%0.56739%0.391SS*.  trans-55.4112.3170.5-69.5-41.1000107.4E553D551-E553 PolarHBondContact O-N 3.34Å
552K52.8Low76.4Confident179 Ų17978.7 Ų78.778%0.77839%0.391SS*.  trans-58.6117.8176.5-76.4-175.6178.2178.60107.5E550 S554E550-K552 PolarHBondContact O-N 3.43Å; K552-S554 PolarHBondContact O-N 3.42Å
553E53.4Low76Confident174 Ų17479 Ų7981%0.81339%0.392SS*.  trans-48.2134.9173.7-66.8-169.2164.700109.3D551 H555D551-E553 PolarHBondContact O-N 3.34Å; E553-H555 PolarHBondContact O-N 2.77Å
554S56.2Low75.7Confident103 Ų10379.6 Ų79.672%0.7240%0.396SS*.  trans-59.310518049.90000108.6K552K552-S554 PolarHBondContact O-N 3.42Å
555H62.3Low75.3Confident137 Ų13784.7 Ų84.763%0.63443%0.43SS*.  trans-54.7147.1175.7-60-63.1000109.3E553 F557 S558E553-H555 PolarHBondContact O-N 2.77Å; H555-F557 PolarHBondContact O-N 3.21Å; H555-S558 VanDerWaalsContact O-CB 3.24Å; H555-S558 WeakPolarHBondContact O-CB 3.41Å; H555-S558 PolarHBondContact O-N 3.44Å
556L69.9Low75.1Confident160 Ų16088.2 Ų88.284%0.83845%0.452SS*.THydrogen-bonded Turntrans-50.3-24.7-179.4-67.6170.8000113.6F559L556-F559 WeakPolarHBondContact O-CE1 3.26Å
557F75.8Confident75Confident144 Ų14487.9 Ų87.963%0.63245%0.451SS*.THydrogen-bonded Turntrans-100.915.7179.6-57.3-68000114.7H555 F559 L560H555-F557 PolarHBondContact O-N 3.21Å; F557-F559 HydrophobicContact CD1-CE1 4.18Å; F557-F559 HydrophobicContact CD1-CZ 4.35Å; F557-F559 PolarHBondContact O-N 2.77Å; F557-F559 VanDerWaalsContact O-N 3.08Å; F557-L560 HydrophobicContact CB-CD1 4.26Å; F557-L560 HydrophobicContact CD1-CD1 4.39Å; F557-L560 WeakPolarHBondContact O-CB 3.34Å; F557-L560 PolarHBondContact O-N 3.36Å
558S70.4Confident75.1Confident51 Ų5189.6 Ų89.636%0.35746%0.456SS..THydrogen-bonded Turntrans-63.2-12.9179.8-172.50000114.1H555 L560 T561H555-S558 VanDerWaalsContact O-CB 3.24Å; H555-S558 WeakPolarHBondContact O-CB 3.41Å; H555-S558 PolarHBondContact O-N 3.44Å; S558-L560 VanDerWaalsContact C-N 3.26Å; S558-T561 VanDerWaalsContact C-OG1 3.28Å; S558-T561 WeakPolarHBondContact CA-OG1 3.37Å; S558-T561 PolarHBondContact O-OG1 3.43Å
559F78Confident75.5Confident100 Ų10087.8 Ų87.844%0.43946%0.463SS..THydrogen-bonded Turntrans-73.4-18.5171.367.1-89.8000112.5L556 F557 P562 Y655L556-F559 WeakPolarHBondContact O-CE1 3.26Å; F557-F559 HydrophobicContact CD1-CE1 4.18Å; F557-F559 HydrophobicContact CD1-CZ 4.35Å; F557-F559 PolarHBondContact O-N 2.77Å; F557-F559 VanDerWaalsContact O-N 3.08Å; F559-P562 WeakPolarHBondContact O-CD 3.47Å; F559-Y655 VanDerWaalsContact O-CE2 3.28Å; F559-Y655 WeakPolarHBondContact O-CE2 3.49Å; F559-Y655 PolarHBondContact O-OH 3.21Å
560L81Confident76.4Confident70 Ų7092 Ų9237%0.36648%0.475SS..SBendtrans-84.4-20.9179.6-64.9177.1000113.8F557 S558 L563 W568F557-L560 HydrophobicContact CB-CD1 4.26Å; F557-L560 HydrophobicContact CD1-CD1 4.39Å; F557-L560 WeakPolarHBondContact O-CB 3.34Å; F557-L560 PolarHBondContact O-N 3.36Å; S558-L560 VanDerWaalsContact C-N 3.26Å; L560-L563 VanDerWaalsContact O-O 3.12Å; L560-W568 HydrophobicContact CD2-CZ2 4Å; L560-W568 PolarHBondContact O-NE1 2.9Å
561T77.7Confident77.7Confident64 Ų6483.5 Ų83.539%0.39344%0.435SS..THydrogen-bonded Turntrans-62.4-21.2-178.215.50000117.8S558 L563 S823S558-T561 VanDerWaalsContact C-OG1 3.28Å; S558-T561 WeakPolarHBondContact CA-OG1 3.37Å; S558-T561 PolarHBondContact O-OG1 3.43Å; T561-L563 PolarHBondContact O-N 3.34Å; T561-S823 WeakPolarHBondContact O-CB 3.43Å
562P84.5Confident79.2Confident0 Ų083.7 Ų83.70%044%0.436CS..THydrogen-bonded Turntrans-58.7-29.6176.9-2635.1000113.7F559 Y655 N658 L659 F662 L824F559-P562 WeakPolarHBondContact O-CD 3.47Å; P562-Y655 HydrophobicContact CB-CD2 4.13Å; P562-Y655 HydrophobicContact CB-CE2 4.34Å; P562-Y655 HydrophobicContact CG-CD2 4.36Å; P562-Y655 HydrophobicContact CG-CE2 4.08Å; P562-N658 WeakPolarHBondContact CA-ND2 3.25Å; P562-N658 HydrophobicContact CB-CB 4.03Å; P562-N658 PolarHBondContact O-ND2 3.22Å; P562-L659 HydrophobicContact CG-CB 3.94Å; P562-L659 HydrophobicContact CG-CD1 3.81Å; P562-L659 HydrophobicContact CG-CG 4.49Å; P562-F662 HydrophobicContact CB-CD2 4.4Å; P562-L824 PolarHBondContact O-N 3.04Å
563L86Confident81.1Confident6 Ų677.7 Ų77.73%0.03142%0.42CS..BIsolated β-bridgetrans-109.9136.6172.9-67.9168.3000109.1L560 T561 V567 W568 I571 V651 Y655 L824L560-L563 VanDerWaalsContact O-O 3.12Å; T561-L563 PolarHBondContact O-N 3.34Å; L563-V567 HydrophobicContact CB-CG1 4.43Å; L563-V567 HydrophobicContact CD2-CG1 4.01Å; L563-W568 HydrophobicContact CB-CZ2 4.42Å; L563-W568 HydrophobicContact CD1-CH2 4.33Å; L563-W568 HydrophobicContact CD1-CZ2 4Å; L563-W568 PolarHBondContact O-NE1 3.19Å; L563-I571 HydrophobicContact CD1-CD1 3.98Å; L563-V651 HydrophobicContact CD1-CG1 4.5Å; L563-Y655 HydrophobicContact CD1-CD2 4.16Å; L563-Y655 HydrophobicContact CG-CD2 4.41Å; L563-L824 HydrophobicContact CD2-CB 4.06Å
564S87.7Confident83Confident12 Ų1269.7 Ų69.78%0.08438%0.383CS..  trans-65.1149.6179.164.40000111.6P566 V567 W568 L824S564-P566 VanDerWaalsContact C-CD 3.44Å; S564-P566 VanDerWaalsContact C-N 3.31Å; S564-V567 WeakPolarHBondContact O-CA 3.44Å; S564-V567 WeakPolarHBondContact O-CB 3.27Å; S564-V567 PolarHBondContact O-N 2.96Å; S564-V567 WeakPolarHBondContact OG-CG2 3.34Å; S564-W568 PolarHBondContact O-N 3.48Å; S564-W568 VanDerWaalsContact O-N 3.14Å; S564-L824 PolarHBondContact N-O 3.41Å; S564-L824 VanDerWaalsContact N-O 3.16Å; S564-L824 PolarHBondContact OG-O 3.2Å
565P86.4Confident84.8Confident108 Ų10865.4 Ų65.470%0.70135%0.352SS*.Hα-helixtrans-53.5-38.8178.2-23.531.4000114.4V567 W568 G569P565-V567 VanDerWaalsContact C-N 3.35Å; P565-V567 PolarHBondContact O-N 3.02Å; P565-W568 PolarHBondContact O-N 3.18Å; P565-G569 PolarHBondContact O-N 3.05Å; P565-G569 VanDerWaalsContact O-N 3.15Å
566P88.7Confident86.3Confident74 Ų7462.8 Ų62.848%0.48134%0.342SS..Hα-helixtrans-59.9-40.9172.2-25.335.9000113.2S564 W568 G569 Y570 V826S564-P566 VanDerWaalsContact C-CD 3.44Å; S564-P566 VanDerWaalsContact C-N 3.31Å; P566-W568 VanDerWaalsContact C-N 3.35Å; P566-W568 PolarHBondContact O-N 3.33Å; P566-G569 WeakPolarHBondContact O-CA 3.27Å; P566-G569 PolarHBondContact O-N 3.42Å; P566-G569 VanDerWaalsContact O-N 3.12Å; P566-Y570 HydrophobicContact CB-CE2 4.23Å; P566-Y570 WeakPolarHBondContact O-CD2 3.37Å; P566-Y570 PolarHBondContact O-N 2.73Å; P566-V826 HydrophobicContact CB-CG2 3.97Å
567V91.2Very high87.5Confident1 Ų158.3 Ų58.31%0.00632%0.317CS..Hα-helixtrans-64.8-38.4179.1173.40000111.5L563 S564 P565 G569 Y570 I571 V826 F833L563-V567 HydrophobicContact CB-CG1 4.43Å; L563-V567 HydrophobicContact CD2-CG1 4.01Å; S564-V567 WeakPolarHBondContact O-CA 3.44Å; S564-V567 WeakPolarHBondContact O-CB 3.27Å; S564-V567 PolarHBondContact O-N 2.96Å; S564-V567 WeakPolarHBondContact OG-CG2 3.34Å; P565-V567 VanDerWaalsContact C-N 3.35Å; P565-V567 PolarHBondContact O-N 3.02Å; V567-G569 VanDerWaalsContact C-N 3.32Å; V567-G569 PolarHBondContact O-N 3.13Å; V567-Y570 PolarHBondContact O-N 3.01Å; V567-I571 HydrophobicContact CG1-CD1 4.03Å; V567-I571 HydrophobicContact CG1-CG1 4.43Å; V567-I571 WeakPolarHBondContact O-CG1 3.31Å; V567-I571 PolarHBondContact O-N 3.31Å; V567-V826 HydrophobicContact CG2-CB 4.41Å; V567-V826 HydrophobicContact CG2-CG2 3.76Å; V567-F833 HydrophobicContact CG1-CZ 4.41Å
568W91.6Very high88.3Confident95 Ų9551.5 Ų51.536%0.3629%0.288SS..Hα-helixtrans-59.1-43.7170.8-78.1111.6000112.2L560 L563 S564 P565 P566 Y570 I571 L572 Y655L560-W568 HydrophobicContact CD2-CZ2 4Å; L560-W568 PolarHBondContact O-NE1 2.9Å; L563-W568 HydrophobicContact CB-CZ2 4.42Å; L563-W568 HydrophobicContact CD1-CH2 4.33Å; L563-W568 HydrophobicContact CD1-CZ2 4Å; L563-W568 PolarHBondContact O-NE1 3.19Å; S564-W568 PolarHBondContact O-N 3.48Å; S564-W568 VanDerWaalsContact O-N 3.14Å; P565-W568 PolarHBondContact O-N 3.18Å; P566-W568 VanDerWaalsContact C-N 3.35Å; P566-W568 PolarHBondContact O-N 3.33Å; W568-Y570 VanDerWaalsContact C-N 3.34Å; W568-Y570 PolarHBondContact O-N 3.32Å; W568-I571 HydrophobicContact CE3-CD1 4.38Å; W568-I571 PolarHBondContact O-N 3.22Å; W568-L572 PolarHBondContact O-N 3.21Å; W568-Y655 HydrophobicContact CZ2-CD2 4.43Å; W568-Y655 HydrophobicContact CZ2-CE2 4.31Å
569G92.3Very high89.4Confident42 Ų4249.2 Ų49.243%0.43327%0.272SS..Hα-helixtrans-58.6-43.5172.800000112.6P565 P566 V567 L572 A573P565-G569 PolarHBondContact O-N 3.05Å; P565-G569 VanDerWaalsContact O-N 3.15Å; P566-G569 WeakPolarHBondContact O-CA 3.27Å; P566-G569 PolarHBondContact O-N 3.42Å; P566-G569 VanDerWaalsContact O-N 3.12Å; V567-G569 VanDerWaalsContact C-N 3.32Å; V567-G569 PolarHBondContact O-N 3.13Å; G569-L572 PolarHBondContact O-N 3.14Å; G569-A573 WeakPolarHBondContact O-CB 3.26Å; G569-A573 PolarHBondContact O-N 3.31Å
570Y92Very high90.1Very high121 Ų12148.6 Ų48.648%0.47527%0.272SS..Hα-helixtrans-66.6-37176.4-70.3-60.2000113.3P566 V567 W568 A573 A574 V826P566-Y570 HydrophobicContact CB-CE2 4.23Å; P566-Y570 WeakPolarHBondContact O-CD2 3.37Å; P566-Y570 PolarHBondContact O-N 2.73Å; V567-Y570 PolarHBondContact O-N 3.01Å; W568-Y570 VanDerWaalsContact C-N 3.34Å; W568-Y570 PolarHBondContact O-N 3.32Å; Y570-A573 PolarHBondContact O-N 3.43Å; Y570-A574 VanDerWaalsContact O-CB 3.25Å; Y570-A574 WeakPolarHBondContact O-CB 3.31Å; Y570-A574 PolarHBondContact O-N 3.32Å; Y570-V826 HydrophobicContact CD2-CG1 4.25Å; Y570-V826 HydrophobicContact CD2-CG2 3.77Å; Y570-V826 HydrophobicContact CE2-CB 4.35Å; Y570-V826 HydrophobicContact CE2-CG1 3.89Å; Y570-V826 HydrophobicContact CE2-CG2 3.45Å; Y570-V826 VanDerWaalsContact CE2-CG2 3.45Å
571I93Very high90.6Very high7 Ų746.3 Ų46.34%0.03626%0.261CS..Hα-helixtrans-63.6-44.1174.8-68.3163.6000110.4L563 V567 W568 A574 L575 L623 V651 F833L563-I571 HydrophobicContact CD1-CD1 3.98Å; V567-I571 HydrophobicContact CG1-CD1 4.03Å; V567-I571 HydrophobicContact CG1-CG1 4.43Å; V567-I571 WeakPolarHBondContact O-CG1 3.31Å; V567-I571 PolarHBondContact O-N 3.31Å; W568-I571 HydrophobicContact CE3-CD1 4.38Å; W568-I571 PolarHBondContact O-N 3.22Å; I571-A574 PolarHBondContact O-N 3.12Å; I571-L575 PolarHBondContact O-N 3.24Å; I571-L623 HydrophobicContact CG2-CD2 4.34Å; I571-V651 HydrophobicContact CD1-CG1 3.73Å; I571-V651 HydrophobicContact CG1-CG1 4.44Å; I571-F833 HydrophobicContact CG1-CE1 4.45Å; I571-F833 HydrophobicContact CG1-CZ 4.08Å
572L92.4Very high91.3Very high110 Ų11043.3 Ų43.358%0.57624%0.243SC*.Hα-helixtrans-63.3-44.7176.8-178.763000111.6W568 G569 A574 L575 I576W568-L572 PolarHBondContact O-N 3.21Å; G569-L572 PolarHBondContact O-N 3.14Å; L572-A574 VanDerWaalsContact C-N 3.34Å; L572-A574 PolarHBondContact O-N 3.34Å; L572-L575 PolarHBondContact O-N 3.11Å; L572-I576 HydrophobicContact CG-CD1 4.43Å; L572-I576 WeakPolarHBondContact O-CG1 3.2Å; L572-I576 PolarHBondContact O-N 2.9Å; L572-I576 VanDerWaalsContact O-N 3.12Å
573A92.9Very high91.6Very high53 Ų5346.3 Ų46.344%0.43826%0.256SS..Hα-helixtrans-61.8-42.3175.500000111.8G569 Y570 L575 I576 M577G569-A573 WeakPolarHBondContact O-CB 3.26Å; G569-A573 PolarHBondContact O-N 3.31Å; Y570-A573 PolarHBondContact O-N 3.43Å; A573-L575 PolarHBondContact O-N 3.16Å; A573-I576 PolarHBondContact O-N 2.61Å; A573-M577 WeakPolarHBondContact O-CB 3.13Å; A573-M577 PolarHBondContact O-N 3.33Å
574A93.8Very high91.7Very high5 Ų548.8 Ų48.84%0.04127%0.271CS..Hα-helixtrans-62.4-40.7176.100000111.8Y570 I571 L572 M577 V578 W644 F833 L836Y570-A574 VanDerWaalsContact O-CB 3.25Å; Y570-A574 WeakPolarHBondContact O-CB 3.31Å; Y570-A574 PolarHBondContact O-N 3.32Å; I571-A574 PolarHBondContact O-N 3.12Å; L572-A574 VanDerWaalsContact C-N 3.34Å; L572-A574 PolarHBondContact O-N 3.34Å; A574-M577 PolarHBondContact O-N 3.11Å; A574-V578 WeakPolarHBondContact O-CB 3.33Å; A574-V578 WeakPolarHBondContact O-CG2 3.45Å; A574-V578 PolarHBondContact O-N 3.03Å; A574-W644 HydrophobicContact CB-CZ3 4.25Å; A574-F833 HydrophobicContact CB-CD1 4.44Å; A574-F833 HydrophobicContact CB-CE1 4.31Å; A574-L836 HydrophobicContact CB-CD2 3.95Å
575L93.2Very high91.8Very high13 Ų1348.5 Ų48.57%0.06827%0.269CS..Hα-helixtrans-60-50175.9-176.1151.5000111.6I571 L572 A573 M577 S579 L616 F620 L623 W644I571-L575 PolarHBondContact O-N 3.24Å; L572-L575 PolarHBondContact O-N 3.11Å; A573-L575 PolarHBondContact O-N 3.16Å; L575-M577 VanDerWaalsContact C-N 3.34Å; L575-M577 PolarHBondContact O-N 3.17Å; L575-S579 WeakPolarHBondContact O-CB 3.36Å; L575-S579 PolarHBondContact O-N 3.45Å; L575-S579 PolarHBondContact O-OG 3.28Å; L575-L616 HydrophobicContact CD2-CG 4.25Å; L575-F620 HydrophobicContact CD1-CB 4.35Å; L575-F620 HydrophobicContact CD1-CD2 3.98Å; L575-L623 HydrophobicContact CD1-CD2 3.91Å; L575-W644 HydrophobicContact CB-CH2 4.05Å; L575-W644 HydrophobicContact CB-CZ2 4.45Å; L575-W644 HydrophobicContact CG-CZ2 4.49Å
576I93.9Very high91.9Very high83 Ų8343.3 Ų43.343%0.42624%0.235SC..Hα-helixtrans-62.8-45.5179.2-64.5169.5000110L572 A573 S579 L580L572-I576 HydrophobicContact CG-CD1 4.43Å; L572-I576 WeakPolarHBondContact O-CG1 3.2Å; L572-I576 PolarHBondContact O-N 2.9Å; L572-I576 VanDerWaalsContact O-N 3.12Å; A573-I576 PolarHBondContact O-N 2.61Å; I576-S579 WeakPolarHBondContact O-CB 3.35Å; I576-S579 PolarHBondContact O-N 2.66Å; I576-L580 HydrophobicContact CG2-CD1 4.05Å; I576-L580 HydrophobicContact CG2-CG 4.47Å; I576-L580 WeakPolarHBondContact O-CG 3.07Å; I576-L580 PolarHBondContact O-N 3.49Å
577M94Very high91.7Very high66 Ų6640.8 Ų40.833%0.32522%0.216SC..Hα-helixtrans-67.7-43.9-175.2-168.2-96.7-61.500112.5A573 A574 L575 S579 L580 V581 L837 M840A573-M577 WeakPolarHBondContact O-CB 3.13Å; A573-M577 PolarHBondContact O-N 3.33Å; A574-M577 PolarHBondContact O-N 3.11Å; L575-M577 VanDerWaalsContact C-N 3.34Å; L575-M577 PolarHBondContact O-N 3.17Å; M577-S579 VanDerWaalsContact C-N 3.29Å; M577-S579 PolarHBondContact O-N 2.98Å; M577-L580 PolarHBondContact O-N 3.25Å; M577-V581 WeakPolarHBondContact O-CG2 3.45Å; M577-V581 PolarHBondContact O-N 3.02Å; M577-V581 HydrophobicContact SD-CG2 3.98Å; M577-L837 HydrophobicContact CE-CD2 3.88Å; M577-M840 HydrophobicContact CE-CE 3.07Å; M577-M840 HydrophobicContact CE-SD 3.78Å; M577-M840 HydrophobicContact SD-CE 3.36Å; M577-M840 WeakPolarHBondContact SD-CE 3.27Å; M577-M840 HydrophobicContact SD-SD 3.31Å
578V94.5Very high91.4Very high1 Ų143.4 Ų43.41%0.00623%0.228CC..Hα-helixtrans-62.1-38.6173.5174.50000110.9A574 L580 V581 L582 T619 I640 W644 L836 M840A574-V578 WeakPolarHBondContact O-CB 3.33Å; A574-V578 WeakPolarHBondContact O-CG2 3.45Å; A574-V578 PolarHBondContact O-N 3.03Å; V578-L580 PolarHBondContact O-N 2.91Å; V578-V581 PolarHBondContact O-N 3.44Å; V578-L582 WeakPolarHBondContact O-CB 3.42Å; V578-L582 PolarHBondContact O-N 2.93Å; V578-T619 HydrophobicContact CB-CG2 4.28Å; V578-T619 HydrophobicContact CG1-CG2 3.7Å; V578-I640 HydrophobicContact CG1-CG2 3.75Å; V578-W644 HydrophobicContact CB-CD2 4.48Å; V578-W644 HydrophobicContact CB-CE3 4.14Å; V578-W644 HydrophobicContact CB-CZ3 4.38Å; V578-W644 HydrophobicContact CG1-CB 4.28Å; V578-W644 HydrophobicContact CG1-CD2 4.03Å; V578-W644 HydrophobicContact CG1-CE3 4.11Å; V578-W644 HydrophobicContact CG1-CG 4.12Å; V578-W644 HydrophobicContact CG2-CD2 4.4Å; V578-W644 HydrophobicContact CG2-CE3 3.65Å; V578-W644 HydrophobicContact CG2-CZ3 3.89Å; V578-L836 HydrophobicContact CG2-CD1 3.98Å; V578-L836 HydrophobicContact CG2-CD2 3.82Å; V578-L836 HydrophobicContact CG2-CG 4.13Å; V578-M840 HydrophobicContact CB-SD 4.41Å; V578-M840 HydrophobicContact CG2-CE 4.45Å; V578-M840 HydrophobicContact CG2-SD 3.59Å; V578-M840 VanDerWaalsContact CG2-SD 3.59Å
579S93.2Very high91.1Very high3 Ų338.9 Ų38.92%0.02121%0.21CC..Hα-helixtrans-63-42.2177.4-54.60000112.2L575 I576 M577 F583 S615 L616 T619L575-S579 WeakPolarHBondContact O-CB 3.36Å; L575-S579 PolarHBondContact O-N 3.45Å; L575-S579 PolarHBondContact O-OG 3.28Å; I576-S579 WeakPolarHBondContact O-CB 3.35Å; I576-S579 PolarHBondContact O-N 2.66Å; M577-S579 VanDerWaalsContact C-N 3.29Å; M577-S579 PolarHBondContact O-N 2.98Å; S579-F583 WeakPolarHBondContact O-CB 3.15Å; S579-F583 PolarHBondContact O-N 3.27Å; S579-S615 WeakPolarHBondContact O-CB 3.16Å; S579-L616 WeakPolarHBondContact OG-CA 3.02Å; S579-T619 PolarHBondContact OG-OG1 3.4Å
580L92.4Very high90.5Very high87 Ų8738.1 Ų38.146%0.45520%0.198SC..Hα-helixtrans-67.7-45.7176.9-69.8173.5000111.6I576 M577 V578 F583 V584I576-L580 HydrophobicContact CG2-CD1 4.05Å; I576-L580 HydrophobicContact CG2-CG 4.47Å; I576-L580 WeakPolarHBondContact O-CG 3.07Å; I576-L580 PolarHBondContact O-N 3.49Å; M577-L580 PolarHBondContact O-N 3.25Å; V578-L580 PolarHBondContact O-N 2.91Å; L580-F583 WeakPolarHBondContact O-CB 3.37Å; L580-F583 PolarHBondContact O-N 3.33Å; L580-V584 WeakPolarHBondContact O-CG2 3.15Å; L580-V584 PolarHBondContact O-N 3.35Å
581V92Very high90Very high22 Ų2237 Ų3713%0.13319%0.194CC..Hα-helixtrans-64.1-42.5177.7175.50000110.6M577 V578 F583 V584 V585 I640 M840 L844M577-V581 WeakPolarHBondContact O-CG2 3.45Å; M577-V581 PolarHBondContact O-N 3.02Å; M577-V581 HydrophobicContact SD-CG2 3.98Å; V578-V581 PolarHBondContact O-N 3.44Å; V581-F583 VanDerWaalsContact C-N 3.35Å; V581-F583 PolarHBondContact O-N 3.18Å; V581-V584 PolarHBondContact O-N 2.91Å; V581-V585 HydrophobicContact CG1-CG2 4.15Å; V581-V585 WeakPolarHBondContact O-CB 3.38Å; V581-V585 WeakPolarHBondContact O-CG2 3.35Å; V581-V585 PolarHBondContact O-N 3.26Å; V581-I640 HydrophobicContact CG1-CD1 3.87Å; V581-M840 HydrophobicContact CB-SD 4.38Å; V581-M840 HydrophobicContact CG1-CB 4.28Å; V581-M840 HydrophobicContact CG1-CG 4.3Å; V581-M840 HydrophobicContact CG2-SD 4.2Å; V581-L844 HydrophobicContact CG1-CD1 4.3Å; V581-L844 HydrophobicContact CG1-CD2 4.33Å; V581-L844 HydrophobicContact CG1-CG 4.16Å
582L91.6Very high89.7Confident1 Ų137 Ų371%0.00519%0.194CC..Hα-helixtrans-61.3-43.5175.8-172.768.7000111.2V578 A586 F610 F618 T637 I640V578-L582 WeakPolarHBondContact O-CB 3.42Å; V578-L582 PolarHBondContact O-N 2.93Å; L582-A586 WeakPolarHBondContact O-CB 3.42Å; L582-A586 PolarHBondContact O-N 3.23Å; L582-F610 HydrophobicContact CD2-CD1 4.02Å; L582-F610 HydrophobicContact CD2-CE1 3.76Å; L582-F610 HydrophobicContact CG-CD1 4.25Å; L582-F610 HydrophobicContact CG-CE1 4.27Å; L582-F618 HydrophobicContact CD2-CD1 3.52Å; L582-F618 HydrophobicContact CD2-CE1 4.05Å; L582-F618 HydrophobicContact CD2-CG 4.28Å; L582-T637 HydrophobicContact CD1-CG2 4.27Å; L582-I640 HydrophobicContact CB-CG2 4.49Å; L582-I640 HydrophobicContact CD1-CB 4.21Å; L582-I640 HydrophobicContact CD1-CD1 4.27Å; L582-I640 HydrophobicContact CD1-CG2 4.13Å
583F90.2Very high89.2Confident62 Ų6232.6 Ų32.627%0.27217%0.169SC..Hα-helixtrans-58.4-49.1173.5169.2-108.3000111.9S579 L580 V581 R587 F610 V612S579-F583 WeakPolarHBondContact O-CB 3.15Å; S579-F583 PolarHBondContact O-N 3.27Å; L580-F583 WeakPolarHBondContact O-CB 3.37Å; L580-F583 PolarHBondContact O-N 3.33Å; V581-F583 VanDerWaalsContact C-N 3.35Å; V581-F583 PolarHBondContact O-N 3.18Å; F583-R587 VanDerWaalsContact O-CB 3.27Å; F583-R587 WeakPolarHBondContact O-CB 3.48Å; F583-R587 PolarHBondContact O-N 3.35Å; F583-F610 WeakPolarHBondContact CD2-O 3.4Å; F583-V612 HydrophobicContact CB-CG2 4.48Å; F583-V612 HydrophobicContact CD1-CG2 3.75Å; F583-V612 HydrophobicContact CD2-CG2 3.86Å; F583-V612 HydrophobicContact CE1-CG2 3.86Å; F583-V612 HydrophobicContact CE2-CG2 3.97Å; F583-V612 HydrophobicContact CG-CG2 3.75Å; F583-V612 HydrophobicContact CZ-CG2 3.97Å
584V88.3Confident88.5Confident59 Ų5933.4 Ų33.436%0.35816%0.163SC..Hα-helixtrans-62-50.5179.91710000111.1L580 V581 R587 F588L580-V584 WeakPolarHBondContact O-CG2 3.15Å; L580-V584 PolarHBondContact O-N 3.35Å; V581-V584 PolarHBondContact O-N 2.91Å; V584-R587 WeakPolarHBondContact O-CB 3.23Å; V584-R587 PolarHBondContact O-N 3.07Å; V584-R587 VanDerWaalsContact O-N 3.17Å; V584-F588 HydrophobicContact CG1-CD2 3.78Å; V584-F588 HydrophobicContact CG1-CE2 3.83Å; V584-F588 WeakPolarHBondContact O-CD2 3.41Å; V584-F588 PolarHBondContact O-N 3.18Å; V584-F588 VanDerWaalsContact O-N 3.08Å
585V89.8Confident87.4Confident5 Ų536 Ų363%0.0318%0.178CC..Hα-helixtrans-65.7-43.1-178.81730000111.6V581 R587 F588 S589 S636 T637 I640 L844V581-V585 HydrophobicContact CG1-CG2 4.15Å; V581-V585 WeakPolarHBondContact O-CB 3.38Å; V581-V585 WeakPolarHBondContact O-CG2 3.35Å; V581-V585 PolarHBondContact O-N 3.26Å; V585-R587 PolarHBondContact O-N 2.92Å; V585-F588 PolarHBondContact O-N 3.46Å; V585-S589 VanDerWaalsContact O-CB 3.31Å; V585-S589 WeakPolarHBondContact O-CB 3.2Å; V585-S589 PolarHBondContact O-N 2.91Å; V585-S636 WeakPolarHBondContact CG1-OG 3.38Å; V585-T637 HydrophobicContact CG1-CG2 3.95Å; V585-I640 HydrophobicContact CB-CD1 3.97Å; V585-I640 HydrophobicContact CG1-CD1 4.17Å; V585-I640 HydrophobicContact CG2-CD1 3.92Å; V585-L844 HydrophobicContact CG2-CD2 3.51Å; V585-L844 HydrophobicContact CG2-CG 4.08Å
586A88.3Confident86Confident0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-62.5-29.4175.300000112.1L582 E592 N608 F610 T637L582-A586 WeakPolarHBondContact O-CB 3.42Å; L582-A586 PolarHBondContact O-N 3.23Å; A586-E592 HydrophobicContact CB-CG 4.08Å; A586-E592 WeakPolarHBondContact O-CB 3.33Å; A586-N608 PolarHBondContact O-ND2 3.17Å; A586-F610 HydrophobicContact CB-CB 3.55Å; A586-F610 HydrophobicContact CB-CD2 3.97Å; A586-F610 HydrophobicContact CB-CG 3.84Å; A586-T637 HydrophobicContact CB-CG2 3.87Å
587R85.3Confident84.6Confident20 Ų2041.7 Ų41.78%0.07520%0.201CC..Hα-helixtrans-74.6-43.6178.2-16271.5-178.4157.13.9112.7F583 V584 V585 W593 S877 A879 S881F583-R587 VanDerWaalsContact O-CB 3.27Å; F583-R587 WeakPolarHBondContact O-CB 3.48Å; F583-R587 PolarHBondContact O-N 3.35Å; V584-R587 WeakPolarHBondContact O-CB 3.23Å; V584-R587 PolarHBondContact O-N 3.07Å; V584-R587 VanDerWaalsContact O-N 3.17Å; V585-R587 PolarHBondContact O-N 2.92Å; R587-W593 PolarHBondContact O-NE1 3.24Å; R587-S877 WeakPolarHBondContact CD-O 3.38Å; R587-S877 WeakPolarHBondContact CG-O 3.42Å; R587-S877 PolarHBondContact NE-O 3.07Å; R587-A879 PolarHBondContact NH2-O 3.17Å; R587-S881 PolarHBondContact NH1-O 2.8Å; R587-S881 PolarHBondContact NH2-O 2.92Å
588F84Confident83Confident56 Ų5643.8 Ų43.825%0.24622%0.219CC..Hα-helixtrans-79.9-27.6179.6-75.8-68.4000113.4V584 V585 P590 F851 F874V584-F588 HydrophobicContact CG1-CD2 3.78Å; V584-F588 HydrophobicContact CG1-CE2 3.83Å; V584-F588 WeakPolarHBondContact O-CD2 3.41Å; V584-F588 PolarHBondContact O-N 3.18Å; V584-F588 VanDerWaalsContact O-N 3.08Å; V585-F588 PolarHBondContact O-N 3.46Å; F588-P590 VanDerWaalsContact O-CD 3.29Å; F588-P590 WeakPolarHBondContact O-CD 3.05Å; F588-F851 HydrophobicContact CD1-CD2 4.31Å; F588-F851 HydrophobicContact CD1-CE2 4.2Å; F588-F851 WeakPolarHBondContact O-CD2 3.27Å; F588-F874 AromaticContact CE1-CD2 3.71Å; F588-F874 HydrophobicContact CE1-CD2 3.71Å; F588-F874 AromaticContact CE1-CE2 3.89Å; F588-F874 HydrophobicContact CE1-CE2 3.89Å; F588-F874 HydrophobicContact CZ-CD2 4.33Å; F588-F874 HydrophobicContact CZ-CE2 4.02Å
589S86.3Confident81.7Confident0 Ų049.4 Ų49.40%026%0.257CS..  trans-72117.1179-172.80000110.1V585 Y591 E592 A634 E850V585-S589 VanDerWaalsContact O-CB 3.31Å; V585-S589 WeakPolarHBondContact O-CB 3.2Å; V585-S589 PolarHBondContact O-N 2.91Å; S589-Y591 PolarHBondContact O-N 3.24Å; S589-E592 PolarHBondContact O-N 3.22Å; S589-A634 WeakPolarHBondContact OG-CB 3.5Å; S589-E850 PolarHBondContact OG-OE2 2.98Å
590P78.7Confident80.2Confident27 Ų2753.8 Ų53.818%0.17528%0.279CS..G310 helixtrans-66.3-23.4-176.527.2-34000112.2F588 E592 W593 N854F588-P590 VanDerWaalsContact O-CD 3.29Å; F588-P590 WeakPolarHBondContact O-CD 3.05Å; P590-E592 VanDerWaalsContact C-N 3.29Å; P590-E592 PolarHBondContact O-N 3.04Å; P590-W593 PolarHBondContact O-N 2.85Å; P590-N854 HydrophobicContact CB-CB 4.26Å; P590-N854 HydrophobicContact CG-CB 3.61Å
591Y83.1Confident78.6Confident98 Ų9856.1 Ų56.138%0.38430%0.297SS..G310 helixtrans-77.6-11.8-177.5-56.5-68.4000113.9S589 E850 R857S589-Y591 PolarHBondContact O-N 3.24Å; Y591-E850 HydrophobicContact CD2-CB 4.43Å; Y591-E850 HydrophobicContact CD2-CG 4.29Å; Y591-E850 HydrophobicContact CE2-CB 4.11Å; Y591-E850 HydrophobicContact CE2-CG 4.01Å; Y591-R857 PolarHBondContact OH-NH1 3.29Å
592E85.3Confident77Confident6 Ų661.9 Ų61.93%0.02833%0.327CS..G310 helixtrans-85.2-15.5177-153.662.8-123.700112.3A586 S589 P590 K594 F610 H633 A634 T637A586-E592 HydrophobicContact CB-CG 4.08Å; A586-E592 WeakPolarHBondContact O-CB 3.33Å; S589-E592 PolarHBondContact O-N 3.22Å; P590-E592 VanDerWaalsContact C-N 3.29Å; P590-E592 PolarHBondContact O-N 3.04Å; E592-K594 PolarHBondContact O-N 3Å; E592-F610 HydrophobicContact CG-CD2 3.78Å; E592-F610 HydrophobicContact CG-CE2 4.15Å; E592-F610 WeakPolarHBondContact OE1-CE2 3.38Å; E592-H633 IonicContact OE1-CD2 2.77Å; E592-H633 PolarHBondContact OE1-N 3.41Å; E592-H633 PolarHBondContact OE2-N 3.48Å; E592-A634 PolarHBondContact OE2-N 2.86Å; E592-T637 PolarHBondContact OE2-OG1 2.61Å
593W83.1Confident75.4Confident18 Ų1863.1 Ų63.17%0.06834%0.335CS..  trans-84.6109.3177.7-68.190.6000110.7R587 P590 V606 N608 F876 R884R587-W593 PolarHBondContact O-NE1 3.24Å; P590-W593 PolarHBondContact O-N 2.85Å; W593-V606 HydrophobicContact CB-CB 4.06Å; W593-V606 HydrophobicContact CB-CG2 4.05Å; W593-V606 HydrophobicContact CD2-CG2 4.47Å; W593-V606 HydrophobicContact CE3-CB 4.48Å; W593-V606 HydrophobicContact CE3-CG2 3.87Å; W593-N608 HydrophobicContact CD2-CB 3.79Å; W593-N608 HydrophobicContact CE3-CB 3.68Å; W593-N608 HydrophobicContact CG-CB 4.45Å; W593-N608 HydrophobicContact CH2-CB 4.48Å; W593-N608 HydrophobicContact CZ2-CB 4.48Å; W593-N608 HydrophobicContact CZ3-CB 4.04Å; W593-F876 AromaticContact CD2-CE1 3.61Å; W593-F876 HydrophobicContact CD2-CE1 3.61Å; W593-F876 HydrophobicContact CD2-CZ 4.28Å; W593-F876 AromaticContact CE2-CE1 3.59Å; W593-F876 AromaticContact CE3-CE1 3.86Å; W593-F876 HydrophobicContact CE3-CE1 3.86Å; W593-F876 HydrophobicContact CE3-CZ 4.09Å; W593-F876 HydrophobicContact CG-CE1 4.06Å; W593-F876 HydrophobicContact CH2-CD1 4.41Å; W593-F876 AromaticContact CH2-CE1 3.8Å; W593-F876 HydrophobicContact CH2-CE1 3.8Å; W593-F876 HydrophobicContact CH2-CZ 4.21Å; W593-F876 HydrophobicContact CZ2-CD1 4.06Å; W593-F876 AromaticContact CZ2-CE1 3.68Å; W593-F876 HydrophobicContact CZ2-CE1 3.68Å; W593-F876 AromaticContact CZ3-CE1 3.97Å; W593-F876 HydrophobicContact CZ3-CE1 3.97Å; W593-F876 HydrophobicContact CZ3-CZ 4.08Å; W593-R884 HydrophobicContact CH2-CG 3.96Å; W593-R884 HydrophobicContact CZ3-CB 4.16Å; W593-R884 HydrophobicContact CZ3-CG 3.88Å
594K76.9Confident74.3Confident69 Ų6964.1 Ų64.130%0.334%0.344SS..EExtended strand (participates in β ladder)trans-105.9143.6-172-65.3178.2-173.6166.70113.1E592 K596 V606 E607 H633E592-K594 PolarHBondContact O-N 3Å; K594-K596 PolarHBondContact O-N 3.45Å; K594-V606 CarbonylContact O-C 3.55Å; K594-V606 WeakPolarHBondContact O-CA 3.14Å; K594-E607 PolarHBondContact N-O 3.14Å; K594-E607 PolarHBondContact O-N 3.31Å; K594-H633 WeakPolarHBondContact CE-CD2 3.22Å; K594-H633 WeakPolarHBondContact CE-NE2 3.33Å; K594-H633 PolarHBondContact NZ-CD2 2.97Å; K594-H633 PolarHBondContact NZ-NE2 2.86Å
595V70.8Confident73.4Confident60 Ų6064.2 Ų64.236%0.36434%0.344SS..EExtended strand (participates in β ladder)trans-70.8118.6166.2179.80000109.1H597 S603 V606V595-H597 VanDerWaalsContact C-N 3.26Å; V595-H597 PolarHBondContact O-N 3.33Å; V595-S603 VanDerWaalsContact CG1-O 3.31Å; V595-S603 WeakPolarHBondContact CG1-O 3.5Å; V595-S603 WeakPolarHBondContact CG1-OG 3.31Å; V595-V606 HydrophobicContact CG2-CG1 3.98Å
596K63.8Low72.8Confident121 Ų12164.2 Ų64.253%0.52634%0.344SS..SBendtrans-57.2-34.8-173.1-176.5176.7179.4174.80113.8K594 E607K594-K596 PolarHBondContact O-N 3.45Å; K596-E607 HydrophobicContact CB-CG 4.46Å
597H64Low72.3Confident95 Ų9566.4 Ų66.444%0.4435%0.354SS..  trans-13293.2-180-65.2-55.3000110.5V595 C599 I600 S603V595-H597 VanDerWaalsContact C-N 3.26Å; V595-H597 PolarHBondContact O-N 3.33Å; H597-C599 PolarHBondContact O-N 2.88Å; H597-I600 HydrophobicContact CB-CD1 3.97Å; H597-I600 HydrophobicContact CB-CG1 4.09Å; H597-I600 PolarHBondContact O-N 3.17Å; H597-S603 PolarHBondContact O-OG 3.42Å
598P60.9Low72.2Confident109 Ų10965.5 Ų65.571%0.70835%0.351SS*.THydrogen-bonded Turntrans-57.7-21.1177.3-21.831.3000113.6I600P598-I600 VanDerWaalsContact C-N 3.26Å; P598-I600 PolarHBondContact O-N 2.99Å
599C67.4Low72.2Confident120 Ų12066.1 Ų66.181%0.81136%0.357SS*.THydrogen-bonded Turntrans-70.8-20.4178.3-42.30000113H597H597-C599 PolarHBondContact O-N 2.88Å
600I62.4Low72.1Confident95 Ų9566.2 Ų66.249%0.48736%0.358SS..SBendtrans-99.892.4175.7-53.4174.3000106.3H597 P598 D602 S603H597-I600 HydrophobicContact CB-CD1 3.97Å; H597-I600 HydrophobicContact CB-CG1 4.09Å; H597-I600 PolarHBondContact O-N 3.17Å; P598-I600 VanDerWaalsContact C-N 3.26Å; P598-I600 PolarHBondContact O-N 2.99Å; I600-D602 PolarHBondContact O-N 3.43Å; I600-D602 VanDerWaalsContact O-N 3.09Å; I600-S603 PolarHBondContact O-N 3.06Å; I600-S603 VanDerWaalsContact O-N 3.07Å; I600-S603 PolarHBondContact O-OG 2.91Å
601V58.5Low72.4Confident135 Ų13568.1 Ų68.182%0.81837%0.366SS*.THydrogen-bonded Turntrans-54.4-31-174.5-177.20000111.8
602D57.6Low72.5Confident144 Ų14466.8 Ų66.877%0.7737%0.368SS*.THydrogen-bonded Turntrans-98.716.9-176.8-56.3-40.9000114.4I600 D604I600-D602 PolarHBondContact O-N 3.43Å; I600-D602 VanDerWaalsContact O-N 3.09Å; D602-D604 PolarHBondContact O-N 3.3Å
603S59.6Low72.6Confident26 Ų2670.5 Ų70.518%0.18239%0.394CS..  trans-87.499.8178.262.60000112.5V595 H597 I600 V605V595-S603 VanDerWaalsContact CG1-O 3.31Å; V595-S603 WeakPolarHBondContact CG1-O 3.5Å; V595-S603 WeakPolarHBondContact CG1-OG 3.31Å; H597-S603 PolarHBondContact O-OG 3.42Å; I600-S603 PolarHBondContact O-N 3.06Å; I600-S603 VanDerWaalsContact O-N 3.07Å; I600-S603 PolarHBondContact O-OG 2.91Å; S603-V605 PolarHBondContact O-N 3.33Å
604D66.4Low72.9Confident84 Ų8472 Ų7245%0.44940%0.404SS..  trans-78.310.8175.8-66.2-46.5000114D602 S885 Q886 A887D602-D604 PolarHBondContact O-N 3.3Å; D604-S885 CarbonylContact O-C 3.56Å; D604-S885 WeakPolarHBondContact O-CA 3.28Å; D604-Q886 PolarHBondContact O-N 2.86Å; D604-A887 HydrophobicContact CB-CB 3.75Å; D604-A887 WeakPolarHBondContact OD2-CB 3.4Å
605V69.9Low73.5Confident61 Ų6168.7 Ų68.737%0.3739%0.389SS..EExtended strand (participates in β ladder)trans-91.3109.8-177.5-176.10000109.7S603 V883 R884S603-V605 PolarHBondContact O-N 3.33Å; V605-V883 HydrophobicContact CG1-CG1 3.45Å; V605-V883 VanDerWaalsContact CG1-CG1 3.45Å; V605-R884 CarbonylContact C-O 3.24Å; V605-R884 WeakPolarHBondContact CA-O 3.39Å
606V76.5Confident74.5Confident5 Ų569.4 Ų69.43%0.0339%0.391CS..EExtended strand (participates in β ladder)trans-101.2140.9176.3-62.20000111.9W593 K594 V595 F876 V883 R884W593-V606 HydrophobicContact CB-CB 4.06Å; W593-V606 HydrophobicContact CB-CG2 4.05Å; W593-V606 HydrophobicContact CD2-CG2 4.47Å; W593-V606 HydrophobicContact CE3-CB 4.48Å; W593-V606 HydrophobicContact CE3-CG2 3.87Å; K594-V606 CarbonylContact O-C 3.55Å; K594-V606 WeakPolarHBondContact O-CA 3.14Å; V595-V606 HydrophobicContact CG2-CG1 3.98Å; V606-F876 HydrophobicContact CG2-CE1 4.25Å; V606-F876 HydrophobicContact CG2-CE2 4.45Å; V606-F876 HydrophobicContact CG2-CZ 3.51Å; V606-V883 WeakPolarHBondContact O-CA 2.88Å; V606-R884 WeakPolarHBondContact CG2-O 3.5Å; V606-R884 PolarHBondContact N-O 2.87Å; V606-R884 PolarHBondContact O-N 3.12Å
607E78.3Confident75.8Confident45 Ų4570.7 Ų70.721%0.2139%0.392CS..EExtended strand (participates in β ladder)trans-119.4145.8176.966.4-176-17200111.5K594 K596 S882 V883K594-E607 PolarHBondContact N-O 3.14Å; K594-E607 PolarHBondContact O-N 3.31Å; K596-E607 HydrophobicContact CB-CG 4.46Å; E607-S882 CarbonylContact C-O 3.51Å; E607-S882 VanDerWaalsContact CA-O 3.31Å; E607-S882 WeakPolarHBondContact CA-O 3.18Å; E607-V883 HydrophobicContact CB-CG2 4.07Å
608N83.5Confident77.1Confident2 Ų266.6 Ų66.61%0.01137%0.374CS..  trans-121.2116.7173.9-172.8-25.6000109.1A586 W593 F610 S882A586-N608 PolarHBondContact O-ND2 3.17Å; W593-N608 HydrophobicContact CD2-CB 3.79Å; W593-N608 HydrophobicContact CE3-CB 3.68Å; W593-N608 HydrophobicContact CG-CB 4.45Å; W593-N608 HydrophobicContact CH2-CB 4.48Å; W593-N608 HydrophobicContact CZ2-CB 4.48Å; W593-N608 HydrophobicContact CZ3-CB 4.04Å; N608-F610 VanDerWaalsContact C-N 3.33Å; N608-F610 PolarHBondContact OD1-N 3.32Å; N608-S882 PolarHBondContact N-O 2.81Å; N608-S882 WeakPolarHBondContact O-CB 3.31Å
609N83.4Confident78.5Confident68 Ų6861.4 Ų61.436%0.36434%0.34SS..  trans-80.3-14-176.5-67.2-10.6000112.9N611 N614 I630N609-N611 PolarHBondContact O-N 3.5Å; N609-N611 VanDerWaalsContact O-N 3.15Å; N609-N614 WeakPolarHBondContact O-CB 3.44Å; N609-N614 PolarHBondContact O-ND2 3.28Å; N609-I630 HydrophobicContact CB-CG2 4.24Å
610F84.5Confident79.6Confident3 Ų360 Ų601%0.01332%0.32CS..  trans-86.580178.2-72.1-80.5000111.1L582 F583 A586 E592 N608 F618 I630 P632L582-F610 HydrophobicContact CD2-CD1 4.02Å; L582-F610 HydrophobicContact CD2-CE1 3.76Å; L582-F610 HydrophobicContact CG-CD1 4.25Å; L582-F610 HydrophobicContact CG-CE1 4.27Å; F583-F610 WeakPolarHBondContact CD2-O 3.4Å; A586-F610 HydrophobicContact CB-CB 3.55Å; A586-F610 HydrophobicContact CB-CD2 3.97Å; A586-F610 HydrophobicContact CB-CG 3.84Å; E592-F610 HydrophobicContact CG-CD2 3.78Å; E592-F610 HydrophobicContact CG-CE2 4.15Å; E592-F610 WeakPolarHBondContact OE1-CE2 3.38Å; N608-F610 VanDerWaalsContact C-N 3.33Å; N608-F610 PolarHBondContact OD1-N 3.32Å; F610-F618 HydrophobicContact CE1-CB 4.38Å; F610-F618 HydrophobicContact CE1-CG 4.25Å; F610-I630 HydrophobicContact CD1-CG2 4.22Å; F610-I630 HydrophobicContact CD2-CG2 4.37Å; F610-I630 HydrophobicContact CE1-CG2 3.77Å; F610-I630 HydrophobicContact CE2-CG2 3.92Å; F610-I630 HydrophobicContact CZ-CG2 3.61Å; F610-P632 HydrophobicContact CE2-CB 4.38Å; F610-P632 HydrophobicContact CZ-CB 4.09Å
611N85.2Confident81Confident67 Ų6755.9 Ų55.936%0.35830%0.302SS..  trans-84.3169.415866.423.2000109.8N609 S613 N614 S615N609-N611 PolarHBondContact O-N 3.5Å; N609-N611 VanDerWaalsContact O-N 3.15Å; N611-S613 PolarHBondContact O-N 3.24Å; N611-S613 PolarHBondContact OD1-N 3.49Å; N611-N614 PolarHBondContact O-N 3.29Å; N611-N614 VanDerWaalsContact O-N 3.12Å; N611-N614 WeakPolarHBondContact OD1-CB 3.32Å; N611-N614 PolarHBondContact OD1-N 2.93Å; N611-N614 PolarHBondContact OD1-OD1 3.49Å; N611-S615 WeakPolarHBondContact O-CB 3.38Å; N611-S615 PolarHBondContact O-N 3.46Å; N611-S615 PolarHBondContact O-OG 3.08Å
612V84.9Confident82.5Confident70 Ų7050.1 Ų50.142%0.42427%0.267SS..Hα-helixtrans-54.8-40.2-177.9177.90000112.1F583 L616F583-V612 HydrophobicContact CB-CG2 4.48Å; F583-V612 HydrophobicContact CD1-CG2 3.75Å; F583-V612 HydrophobicContact CD2-CG2 3.86Å; F583-V612 HydrophobicContact CE1-CG2 3.86Å; F583-V612 HydrophobicContact CE2-CG2 3.97Å; F583-V612 HydrophobicContact CG-CG2 3.75Å; F583-V612 HydrophobicContact CZ-CG2 3.97Å; V612-L616 WeakPolarHBondContact O-CB 3.29Å; V612-L616 PolarHBondContact O-N 3.04Å
613S87.9Confident84Confident83 Ų8344.5 Ų44.558%0.5824%0.237SC*.Hα-helixtrans-66.4-41.8179-170.60000112.5N611 L616 W617N611-S613 PolarHBondContact O-N 3.24Å; N611-S613 PolarHBondContact OD1-N 3.49Å; S613-L616 PolarHBondContact O-N 2.72Å; S613-W617 WeakPolarHBondContact O-CB 3.34Å; S613-W617 PolarHBondContact O-N 3.48Å
614N88.3Confident85.4Confident49 Ų4948 Ų4826%0.26225%0.251SS..Hα-helixtrans-74.8-35.2-179.4-74.8-3.5000111.3N609 N611 L616 W617 F618 I630N609-N614 WeakPolarHBondContact O-CB 3.44Å; N609-N614 PolarHBondContact O-ND2 3.28Å; N611-N614 PolarHBondContact O-N 3.29Å; N611-N614 VanDerWaalsContact O-N 3.12Å; N611-N614 WeakPolarHBondContact OD1-CB 3.32Å; N611-N614 PolarHBondContact OD1-N 2.93Å; N611-N614 PolarHBondContact OD1-OD1 3.49Å; N614-L616 VanDerWaalsContact C-N 3.33Å; N614-W617 PolarHBondContact O-N 2.95Å; N614-F618 VanDerWaalsContact O-CB 3.31Å; N614-F618 WeakPolarHBondContact O-CB 3.5Å; N614-F618 PolarHBondContact O-N 3.1Å; N614-I630 HydrophobicContact CB-CD1 3.76Å
615S90.5Very high86.4Confident0 Ų050.1 Ų50.10%026%0.259CS..Hα-helixtrans-62.5-42.5169.9-63.60000111.2S579 N611 F618 T619S579-S615 WeakPolarHBondContact O-CB 3.16Å; N611-S615 WeakPolarHBondContact O-CB 3.38Å; N611-S615 PolarHBondContact O-N 3.46Å; N611-S615 PolarHBondContact O-OG 3.08Å; S615-F618 PolarHBondContact O-N 3.13Å; S615-T619 WeakPolarHBondContact O-CG2 3.27Å; S615-T619 PolarHBondContact O-N 3.04Å; S615-T619 PolarHBondContact O-OG1 3.28Å
616L90.7Very high87.1Confident75 Ų7554.4 Ų54.439%0.39327%0.272SS..Hα-helixtrans-67.4-40.3174.8-170.7150000111.8L575 S579 V612 S613 N614 F618 T619 F620L575-L616 HydrophobicContact CD2-CG 4.25Å; S579-L616 WeakPolarHBondContact OG-CA 3.02Å; V612-L616 WeakPolarHBondContact O-CB 3.29Å; V612-L616 PolarHBondContact O-N 3.04Å; S613-L616 PolarHBondContact O-N 2.72Å; N614-L616 VanDerWaalsContact C-N 3.33Å; L616-F618 VanDerWaalsContact C-N 3.32Å; L616-F618 PolarHBondContact O-N 3.21Å; L616-T619 PolarHBondContact O-N 3.12Å; L616-T619 PolarHBondContact O-OG1 3.36Å; L616-F620 WeakPolarHBondContact O-CB 3.39Å; L616-F620 PolarHBondContact O-N 3.04Å
617W90.7Very high87.3Confident148 Ų14858.1 Ų58.156%0.56131%0.311SS*.Hα-helixtrans-61.8-41174.8-175.4-109.2000111.8S613 N614 G621S613-W617 WeakPolarHBondContact O-CB 3.34Å; S613-W617 PolarHBondContact O-N 3.48Å; N614-W617 PolarHBondContact O-N 2.95Å; W617-G621 PolarHBondContact O-N 3.33Å
618F91.2Very high87.6Confident10 Ų1057.2 Ų57.24%0.04431%0.31CS..Hα-helixtrans-63.3-47.9176.3176.8-93.3000112.5L582 F610 N614 S615 L616 S622 I630 P632 A641 W645L582-F618 HydrophobicContact CD2-CD1 3.52Å; L582-F618 HydrophobicContact CD2-CE1 4.05Å; L582-F618 HydrophobicContact CD2-CG 4.28Å; F610-F618 HydrophobicContact CE1-CB 4.38Å; F610-F618 HydrophobicContact CE1-CG 4.25Å; N614-F618 VanDerWaalsContact O-CB 3.31Å; N614-F618 WeakPolarHBondContact O-CB 3.5Å; N614-F618 PolarHBondContact O-N 3.1Å; S615-F618 PolarHBondContact O-N 3.13Å; L616-F618 VanDerWaalsContact C-N 3.32Å; L616-F618 PolarHBondContact O-N 3.21Å; F618-S622 PolarHBondContact O-N 3.05Å; F618-S622 VanDerWaalsContact O-N 3.13Å; F618-S622 PolarHBondContact O-OG 2.98Å; F618-I630 VanDerWaalsContact CD2-O 3.24Å; F618-I630 WeakPolarHBondContact CD2-O 3.19Å; F618-I630 WeakPolarHBondContact CE2-O 3.29Å; F618-P632 HydrophobicContact CZ-CG 4.23Å; F618-A641 HydrophobicContact CE1-CB 3.96Å; F618-A641 HydrophobicContact CZ-CB 3.8Å; F618-W645 HydrophobicContact CZ-CZ2 4.08Å
619T91.4Very high87.5Confident0 Ų063.5 Ų63.50%034%0.344CS..Hα-helixtrans-69.6-38.2179.655.70000112.2V578 S579 S615 L616 S622 L623 W644V578-T619 HydrophobicContact CB-CG2 4.28Å; V578-T619 HydrophobicContact CG1-CG2 3.7Å; S579-T619 PolarHBondContact OG-OG1 3.4Å; S615-T619 WeakPolarHBondContact O-CG2 3.27Å; S615-T619 PolarHBondContact O-N 3.04Å; S615-T619 PolarHBondContact O-OG1 3.28Å; L616-T619 PolarHBondContact O-N 3.12Å; L616-T619 PolarHBondContact O-OG1 3.36Å; T619-S622 WeakPolarHBondContact CA-OG 3.47Å; T619-S622 PolarHBondContact O-OG 3.35Å; T619-L623 PolarHBondContact O-N 3.1Å; T619-L623 VanDerWaalsContact O-N 3.14Å; T619-W644 PolarHBondContact O-NE1 2.77Å; T619-W644 VanDerWaalsContact O-NE1 3.12Å
620F91Very high87.5Confident89 Ų8961 Ų6139%0.3933%0.33SS..Hα-helixtrans-68.3-44.3175.7-175.9-100.5000112L575 L616 S622 L623 M624L575-F620 HydrophobicContact CD1-CB 4.35Å; L575-F620 HydrophobicContact CD1-CD2 3.98Å; L616-F620 WeakPolarHBondContact O-CB 3.39Å; L616-F620 PolarHBondContact O-N 3.04Å; F620-S622 VanDerWaalsContact C-N 3.33Å; F620-S622 PolarHBondContact O-N 3.19Å; F620-L623 PolarHBondContact O-N 3.46Å; F620-M624 HydrophobicContact CD1-CG 4.39Å; F620-M624 HydrophobicContact CE1-CG 3.95Å; F620-M624 HydrophobicContact CZ-CG 4.03Å; F620-M624 HydrophobicContact CZ-SD 4.44Å; F620-M624 WeakPolarHBondContact O-CG 3.18Å; F620-M624 PolarHBondContact O-N 3.17Å
621G90.9Very high87.5Confident10 Ų1066 Ų6610%0.10336%0.356CS..Hα-helixtrans-58.9-43.817700000112.3W617 M624 Q625 K626W617-G621 PolarHBondContact O-N 3.33Å; G621-M624 CarbonylContact O-C 3.6Å; G621-M624 PolarHBondContact O-N 2.89Å; G621-M624 VanDerWaalsContact O-N 3.13Å; G621-Q625 PolarHBondContact O-N 3.03Å; G621-K626 CarbonylContact C-O 3.56Å; G621-K626 PolarHBondContact O-N 2.84Å
622S89.8Confident87.6Confident13 Ų1363.3 Ų63.39%0.09134%0.343CS..Hα-helixtrans-65.7-38.2176.242.30000113.4F618 T619 F620 M624 Q625 W644F618-S622 PolarHBondContact O-N 3.05Å; F618-S622 VanDerWaalsContact O-N 3.13Å; F618-S622 PolarHBondContact O-OG 2.98Å; T619-S622 WeakPolarHBondContact CA-OG 3.47Å; T619-S622 PolarHBondContact O-OG 3.35Å; F620-S622 VanDerWaalsContact C-N 3.33Å; F620-S622 PolarHBondContact O-N 3.19Å; S622-M624 VanDerWaalsContact C-N 3.25Å; S622-M624 PolarHBondContact O-N 2.77Å; S622-Q625 PolarHBondContact O-N 3.4Å; S622-W644 PolarHBondContact OG-NE1 3.12Å
623L90.3Very high87.5Confident26 Ų2663.8 Ų63.814%0.13634%0.34CS..Hα-helixtrans-62.8-32.6171.6-179.364.5000112.2I571 L575 T619 F620 Q625 W644 T648 I652I571-L623 HydrophobicContact CG2-CD2 4.34Å; L575-L623 HydrophobicContact CD1-CD2 3.91Å; T619-L623 PolarHBondContact O-N 3.1Å; T619-L623 VanDerWaalsContact O-N 3.14Å; F620-L623 PolarHBondContact O-N 3.46Å; L623-Q625 PolarHBondContact O-N 2.96Å; L623-W644 HydrophobicContact CB-CZ2 4.43Å; L623-T648 HydrophobicContact CB-CG2 4.11Å; L623-T648 HydrophobicContact CD1-CG2 3.92Å; L623-I652 WeakPolarHBondContact O-CD1 3.37Å
624M89.1Confident87.5Confident99 Ų9959.9 Ų59.949%0.48831%0.313SS..THydrogen-bonded Turntrans-81.98.1174.7-66.4-65.911200113.4F620 G621 S622 K626F620-M624 HydrophobicContact CD1-CG 4.39Å; F620-M624 HydrophobicContact CE1-CG 3.95Å; F620-M624 HydrophobicContact CZ-CG 4.03Å; F620-M624 HydrophobicContact CZ-SD 4.44Å; F620-M624 WeakPolarHBondContact O-CG 3.18Å; F620-M624 PolarHBondContact O-N 3.17Å; G621-M624 CarbonylContact O-C 3.6Å; G621-M624 PolarHBondContact O-N 2.89Å; G621-M624 VanDerWaalsContact O-N 3.13Å; S622-M624 VanDerWaalsContact C-N 3.25Å; S622-M624 PolarHBondContact O-N 2.77Å; M624-K626 HydrophobicContact CB-CG 4.37Å; M624-K626 PolarHBondContact O-N 3.13Å
625Q85.7Confident87.6Confident130 Ų13061.5 Ų61.561%0.60732%0.324SS*.THydrogen-bonded Turntrans52.132.8-172.7-62.6179.5-13.100113.1G621 S622 L623 I652G621-Q625 PolarHBondContact O-N 3.03Å; S622-Q625 PolarHBondContact O-N 3.4Å; L623-Q625 PolarHBondContact O-N 2.96Å; Q625-I652 HydrophobicContact CG-CD1 3.53Å
626K85.7Confident87.6Confident151 Ų15161.5 Ų61.566%0.65732%0.324SS*.  trans-109.4137.6173.4-64.3-58.3-178.7-176.30109.7G621 M624G621-K626 CarbonylContact C-O 3.56Å; G621-K626 PolarHBondContact O-N 2.84Å; M624-K626 HydrophobicContact CB-CG 4.37Å; M624-K626 PolarHBondContact O-N 3.13Å
627G81.4Confident87.7Confident82 Ų8257.9 Ų57.985%0.84531%0.306SS*.  trans-65.6146.4173.200000110.9
628S83.4Confident87.8Confident26 Ų2657.5 Ų57.518%0.18230%0.304CS..  trans-99.9146.2166.9-176.90000108.9I630S628-I630 PolarHBondContact O-N 3.26Å; S628-I630 PolarHBondContact OG-N 3.38Å; S628-I630 VanDerWaalsContact OG-N 3.17Å
629D82.3Confident87.8Confident134 Ų13459 Ų5972%0.71731%0.312SS*.SBendtrans-71.9-15.416961.1-28.4000112.4L631D629-L631 WeakPolarHBondContact O-CD1 3.41Å
630I82.6Confident87.9Confident16 Ų1659.1 Ų59.18%0.08231%0.313CS..  trans-92.7110.4176.4-56.4146.8000108.9N609 F610 N614 F618 S628N609-I630 HydrophobicContact CB-CG2 4.24Å; F610-I630 HydrophobicContact CD1-CG2 4.22Å; F610-I630 HydrophobicContact CD2-CG2 4.37Å; F610-I630 HydrophobicContact CE1-CG2 3.77Å; F610-I630 HydrophobicContact CE2-CG2 3.92Å; F610-I630 HydrophobicContact CZ-CG2 3.61Å; N614-I630 HydrophobicContact CB-CD1 3.76Å; F618-I630 VanDerWaalsContact CD2-O 3.24Å; F618-I630 WeakPolarHBondContact CD2-O 3.19Å; F618-I630 WeakPolarHBondContact CE2-O 3.29Å; S628-I630 PolarHBondContact O-N 3.26Å; S628-I630 PolarHBondContact OG-N 3.38Å; S628-I630 VanDerWaalsContact OG-N 3.17Å
631L83.9Confident88Confident108 Ų10855 Ų5557%0.56530%0.295SS*.  trans-105.7135.6179.8-71.581.9000111.2D629 H633D629-L631 WeakPolarHBondContact O-CD1 3.41Å; L631-H633 PolarHBondContact O-CD2 3.41Å
632P88.2Confident88Confident11 Ų1156 Ų567%0.07131%0.306CS..  trans-73.7132.5173.828.6-32.8000112.2F610 F618 T637 R638 A641F610-P632 HydrophobicContact CE2-CB 4.38Å; F610-P632 HydrophobicContact CZ-CB 4.09Å; F618-P632 HydrophobicContact CZ-CG 4.23Å; P632-T637 WeakPolarHBondContact CB-OG1 3.25Å; P632-R638 HydrophobicContact CB-CG 4.32Å; P632-R638 HydrophobicContact CG-CG 4.3Å; P632-R638 PolarHBondContact O-NE 3.46Å; P632-R638 VanDerWaalsContact O-NE 3.16Å; P632-A641 HydrophobicContact CG-CB 3.91Å
633H83.1Confident88.2Confident80 Ų8058.8 Ų58.837%0.3732%0.316SS..  trans-102.5-39.8-179.2-76.6-93.7000113.8E592 K594 L631 R638E592-H633 IonicContact OE1-CD2 2.77Å; E592-H633 PolarHBondContact OE1-N 3.41Å; E592-H633 PolarHBondContact OE2-N 3.48Å; K594-H633 WeakPolarHBondContact CE-CD2 3.22Å; K594-H633 WeakPolarHBondContact CE-NE2 3.33Å; K594-H633 PolarHBondContact NZ-CD2 2.97Å; K594-H633 PolarHBondContact NZ-NE2 2.86Å; L631-H633 PolarHBondContact O-CD2 3.41Å; H633-R638 VanDerWaalsContact O-CZ 3.32Å; H633-R638 PolarHBondContact O-NE 3.47Å
634A88Confident88.4Confident1 Ų157.6 Ų57.61%0.00831%0.31CS..SBendtrans-66.5152.6-17900000112.2S589 E592 S636 T637 R638S589-A634 WeakPolarHBondContact OG-CB 3.5Å; E592-A634 PolarHBondContact OE2-N 2.86Å; A634-S636 VanDerWaalsContact C-N 3.32Å; A634-S636 PolarHBondContact O-N 2.86Å; A634-T637 HydrophobicContact CB-CG2 4.29Å; A634-T637 WeakPolarHBondContact CB-OG1 3.27Å; A634-T637 PolarHBondContact N-OG1 2.7Å; A634-T637 PolarHBondContact O-N 3.34Å; A634-T637 PolarHBondContact O-OG1 3.08Å; A634-T637 VanDerWaalsContact O-OG1 3.06Å; A634-R638 WeakPolarHBondContact O-CB 3.37Å; A634-R638 WeakPolarHBondContact O-CG 3.49Å; A634-R638 PolarHBondContact O-N 3.38Å
635T89Confident88.6Confident82 Ų8259.4 Ų59.450%0.50331%0.312SS..Hα-helixtrans-65.7-42178-46.80000109.9R638 I639 E850T635-R638 PolarHBondContact O-N 3.03Å; T635-I639 HydrophobicContact CG2-CD1 4.34Å; T635-I639 VanDerWaalsContact O-CG1 3.3Å; T635-I639 WeakPolarHBondContact O-CG1 3.23Å; T635-I639 PolarHBondContact O-N 3.22Å; T635-E850 VanDerWaalsContact CB-OE1 3.23Å; T635-E850 WeakPolarHBondContact CB-OE1 3.36Å; T635-E850 PolarHBondContact N-OE1 3.01Å
636S91.7Very high88.9Confident0 Ų059.1 Ų59.10%031%0.309CS..Hα-helixtrans-56.2-49.6174.354.70000113.3V585 A634 I639 I640 S843 E850V585-S636 WeakPolarHBondContact CG1-OG 3.38Å; A634-S636 VanDerWaalsContact C-N 3.32Å; A634-S636 PolarHBondContact O-N 2.86Å; S636-I639 PolarHBondContact O-N 2.86Å; S636-I640 PolarHBondContact O-N 2.85Å; S636-S843 VanDerWaalsContact C-OG 3.32Å; S636-S843 WeakPolarHBondContact O-CB 3.46Å; S636-S843 PolarHBondContact O-OG 3.02Å; S636-E850 WeakPolarHBondContact CB-OE2 3.35Å; S636-E850 PolarHBondContact N-OE1 2.83Å; S636-E850 VanDerWaalsContact N-OE1 3.16Å; S636-E850 PolarHBondContact OG-OE2 2.76Å
637T91.5Very high89.3Confident0 Ų052.2 Ų52.20%028%0.278CS..Hα-helixtrans-68.1-35.3178.9560000112.4L582 V585 A586 E592 P632 A634 I639 I640 A641L582-T637 HydrophobicContact CD1-CG2 4.27Å; V585-T637 HydrophobicContact CG1-CG2 3.95Å; A586-T637 HydrophobicContact CB-CG2 3.87Å; E592-T637 PolarHBondContact OE2-OG1 2.61Å; P632-T637 WeakPolarHBondContact CB-OG1 3.25Å; A634-T637 HydrophobicContact CB-CG2 4.29Å; A634-T637 WeakPolarHBondContact CB-OG1 3.27Å; A634-T637 PolarHBondContact N-OG1 2.7Å; A634-T637 PolarHBondContact O-N 3.34Å; A634-T637 PolarHBondContact O-OG1 3.08Å; A634-T637 VanDerWaalsContact O-OG1 3.06Å; T637-I639 PolarHBondContact O-N 2.84Å; T637-I640 PolarHBondContact O-N 3.14Å; T637-A641 PolarHBondContact O-N 2.97Å
638R92.9Very high89.8Confident139 Ų13948.6 Ų48.653%0.52524%0.24SC..Hα-helixtrans-64.3-35.9173.8-74.6172.7179-177.53.3113.4P632 H633 A634 T635 A641 G642P632-R638 HydrophobicContact CB-CG 4.32Å; P632-R638 HydrophobicContact CG-CG 4.3Å; P632-R638 PolarHBondContact O-NE 3.46Å; P632-R638 VanDerWaalsContact O-NE 3.16Å; H633-R638 VanDerWaalsContact O-CZ 3.32Å; H633-R638 PolarHBondContact O-NE 3.47Å; A634-R638 WeakPolarHBondContact O-CB 3.37Å; A634-R638 WeakPolarHBondContact O-CG 3.49Å; A634-R638 PolarHBondContact O-N 3.38Å; T635-R638 PolarHBondContact O-N 3.03Å; R638-A641 PolarHBondContact O-N 3.36Å; R638-G642 PolarHBondContact O-N 2.86Å
639I92.8Very high90.2Very high43 Ų4352 Ų5222%0.22126%0.256CS..Hα-helixtrans-61.9-47.2174.6-69.2164.5000109.8T635 S636 T637 A641 G642 F643 V846T635-I639 HydrophobicContact CG2-CD1 4.34Å; T635-I639 VanDerWaalsContact O-CG1 3.3Å; T635-I639 WeakPolarHBondContact O-CG1 3.23Å; T635-I639 PolarHBondContact O-N 3.22Å; S636-I639 PolarHBondContact O-N 2.86Å; T637-I639 PolarHBondContact O-N 2.84Å; I639-A641 PolarHBondContact O-N 2.9Å; I639-G642 PolarHBondContact O-N 2.63Å; I639-F643 HydrophobicContact CG2-CD2 3.88Å; I639-F643 HydrophobicContact CG2-CE2 3.99Å; I639-F643 WeakPolarHBondContact O-CD2 3.48Å; I639-F643 PolarHBondContact O-N 3.47Å; I639-V846 HydrophobicContact CD1-CB 4.36Å; I639-V846 HydrophobicContact CD1-CG1 4.3Å; I639-V846 HydrophobicContact CD1-CG2 4.04Å
640I92.9Very high90.5Very high2 Ų247.7 Ų47.71%0.0123%0.232CC..Hα-helixtrans-59.2-50176.7-65.8164.1000110.3V578 V581 L582 V585 S636 T637 G642 F643 W644 S843V578-I640 HydrophobicContact CG1-CG2 3.75Å; V581-I640 HydrophobicContact CG1-CD1 3.87Å; L582-I640 HydrophobicContact CB-CG2 4.49Å; L582-I640 HydrophobicContact CD1-CB 4.21Å; L582-I640 HydrophobicContact CD1-CD1 4.27Å; L582-I640 HydrophobicContact CD1-CG2 4.13Å; V585-I640 HydrophobicContact CB-CD1 3.97Å; V585-I640 HydrophobicContact CG1-CD1 4.17Å; V585-I640 HydrophobicContact CG2-CD1 3.92Å; S636-I640 PolarHBondContact O-N 2.85Å; T637-I640 PolarHBondContact O-N 3.14Å; I640-G642 VanDerWaalsContact C-N 3.3Å; I640-G642 PolarHBondContact O-N 2.9Å; I640-F643 PolarHBondContact O-N 2.97Å; I640-W644 VanDerWaalsContact O-CB 3.24Å; I640-W644 WeakPolarHBondContact O-CB 3.2Å; I640-W644 PolarHBondContact O-N 3.35Å; I640-S843 WeakPolarHBondContact CD1-OG 3.33Å; I640-S843 WeakPolarHBondContact CG1-OG 3.3Å
641A91.9Very high90.9Very high1 Ų147.4 Ų47.41%0.00823%0.231CC..Hα-helixtrans-58.7-42179.800000112F618 P632 T637 R638 I639 W644 W645F618-A641 HydrophobicContact CE1-CB 3.96Å; F618-A641 HydrophobicContact CZ-CB 3.8Å; P632-A641 HydrophobicContact CG-CB 3.91Å; T637-A641 PolarHBondContact O-N 2.97Å; R638-A641 PolarHBondContact O-N 3.36Å; I639-A641 PolarHBondContact O-N 2.9Å; A641-W644 PolarHBondContact O-N 3.47Å; A641-W645 HydrophobicContact CB-CZ2 4.43Å; A641-W645 WeakPolarHBondContact O-CB 3.26Å; A641-W645 PolarHBondContact O-N 2.97Å
642G92.6Very high91.2Very high33 Ų3343.9 Ų43.934%0.3421%0.213SC..Hα-helixtrans-63.1-48.6177.900000113.2R638 I639 I640 W644 W645 F646R638-G642 PolarHBondContact O-N 2.86Å; I639-G642 PolarHBondContact O-N 2.63Å; I640-G642 VanDerWaalsContact C-N 3.3Å; I640-G642 PolarHBondContact O-N 2.9Å; G642-W644 VanDerWaalsContact C-N 3.33Å; G642-W644 PolarHBondContact O-N 3.1Å; G642-W645 PolarHBondContact O-N 3.07Å; G642-F646 PolarHBondContact O-N 3.49Å
643F94.1Very high91.2Very high70 Ų7046 Ų4631%0.30723%0.228SC..Hα-helixtrans-65.2-37.3176-85.2-85.2000112.1I639 I640 F646 F647 M835I639-F643 HydrophobicContact CG2-CD2 3.88Å; I639-F643 HydrophobicContact CG2-CE2 3.99Å; I639-F643 WeakPolarHBondContact O-CD2 3.48Å; I639-F643 PolarHBondContact O-N 3.47Å; I640-F643 PolarHBondContact O-N 2.97Å; F643-F646 PolarHBondContact O-N 3.49Å; F643-F647 WeakPolarHBondContact O-CB 3.16Å; F643-F647 PolarHBondContact O-N 2.92Å; F643-M835 HydrophobicContact CE1-CE 4.46Å
644W94.1Very high91.5Very high1 Ų143.8 Ų43.80%0.00422%0.221CC..Hα-helixtrans-66.3-42.2175.3-180-111.5000112.5A574 L575 V578 T619 S622 L623 I640 A641 G642 F646 F647 T648 L836A574-W644 HydrophobicContact CB-CZ3 4.25Å; L575-W644 HydrophobicContact CB-CH2 4.05Å; L575-W644 HydrophobicContact CB-CZ2 4.45Å; L575-W644 HydrophobicContact CG-CZ2 4.49Å; V578-W644 HydrophobicContact CB-CD2 4.48Å; V578-W644 HydrophobicContact CB-CE3 4.14Å; V578-W644 HydrophobicContact CB-CZ3 4.38Å; V578-W644 HydrophobicContact CG1-CB 4.28Å; V578-W644 HydrophobicContact CG1-CD2 4.03Å; V578-W644 HydrophobicContact CG1-CE3 4.11Å; V578-W644 HydrophobicContact CG1-CG 4.12Å; V578-W644 HydrophobicContact CG2-CD2 4.4Å; V578-W644 HydrophobicContact CG2-CE3 3.65Å; V578-W644 HydrophobicContact CG2-CZ3 3.89Å; T619-W644 PolarHBondContact O-NE1 2.77Å; T619-W644 VanDerWaalsContact O-NE1 3.12Å; S622-W644 PolarHBondContact OG-NE1 3.12Å; L623-W644 HydrophobicContact CB-CZ2 4.43Å; I640-W644 VanDerWaalsContact O-CB 3.24Å; I640-W644 WeakPolarHBondContact O-CB 3.2Å; I640-W644 PolarHBondContact O-N 3.35Å; A641-W644 PolarHBondContact O-N 3.47Å; G642-W644 VanDerWaalsContact C-N 3.33Å; G642-W644 PolarHBondContact O-N 3.1Å; W644-F646 VanDerWaalsContact C-N 3.33Å; W644-F646 PolarHBondContact O-N 3.07Å; W644-F647 AromaticContact CE3-CD1 3.85Å; W644-F647 HydrophobicContact CE3-CD1 3.85Å; W644-F647 HydrophobicContact CH2-CD1 4.33Å; W644-F647 HydrophobicContact CH2-CE1 4.34Å; W644-F647 AromaticContact CZ3-CD1 3.61Å; W644-F647 HydrophobicContact CZ3-CD1 3.61Å; W644-F647 AromaticContact CZ3-CE1 3.83Å; W644-F647 HydrophobicContact CZ3-CE1 3.83Å; W644-F647 PolarHBondContact O-N 3.29Å; W644-T648 HydrophobicContact CD2-CG2 4.01Å; W644-T648 HydrophobicContact CG-CG2 4.45Å; W644-T648 HydrophobicContact CH2-CG2 4.38Å; W644-T648 HydrophobicContact CZ2-CG2 3.8Å; W644-T648 WeakPolarHBondContact O-CB 3.46Å; W644-T648 VanDerWaalsContact O-CG2 3.32Å; W644-T648 WeakPolarHBondContact O-CG2 3.33Å; W644-T648 PolarHBondContact O-N 2.96Å; W644-T648 PolarHBondContact O-OG1 3.45Å; W644-L836 HydrophobicContact CE3-CD1 4.02Å; W644-L836 HydrophobicContact CE3-CD2 4.02Å; W644-L836 HydrophobicContact CZ3-CD2 3.99Å
645W92.6Very high91.5Very high138 Ų13846.1 Ų46.152%0.52323%0.23SC..Hα-helixtrans-62.4-40.9173.7-69.2-19.7000112.1F618 A641 G642 T648 L649F618-W645 HydrophobicContact CZ-CZ2 4.08Å; A641-W645 HydrophobicContact CB-CZ2 4.43Å; A641-W645 WeakPolarHBondContact O-CB 3.26Å; A641-W645 PolarHBondContact O-N 2.97Å; G642-W645 PolarHBondContact O-N 3.07Å; W645-T648 WeakPolarHBondContact CA-OG1 3.37Å; W645-T648 PolarHBondContact O-OG1 3.08Å; W645-L649 VanDerWaalsContact O-CB 3.32Å; W645-L649 WeakPolarHBondContact O-CB 3.4Å; W645-L649 PolarHBondContact O-N 3.24Å
646F91.7Very high91.4Very high124 Ų12445.8 Ų45.854%0.54423%0.228SC..Hα-helixtrans-64.5-44175.6-168.6-111.5000111.7G642 F643 W644 L649 I650G642-F646 PolarHBondContact O-N 3.49Å; F643-F646 PolarHBondContact O-N 3.49Å; W644-F646 VanDerWaalsContact C-N 3.33Å; W644-F646 PolarHBondContact O-N 3.07Å; F646-L649 PolarHBondContact O-N 2.93Å; F646-I650 HydrophobicContact CD1-CD1 3.69Å; F646-I650 HydrophobicContact CE1-CD1 3.38Å; F646-I650 HydrophobicContact CE1-CG1 4.47Å; F646-I650 HydrophobicContact CE2-CD1 4.48Å; F646-I650 HydrophobicContact CG-CD1 4.38Å; F646-I650 HydrophobicContact CZ-CD1 3.82Å; F646-I650 WeakPolarHBondContact O-CG1 3.35Å; F646-I650 PolarHBondContact O-N 3.45Å; F646-I650 VanDerWaalsContact O-N 3.09Å
647F93.6Very high91.2Very high5 Ų548.9 Ų48.92%0.02225%0.254CS..Hα-helixtrans-60.6-49.9176175.2-97.7000112.3F643 W644 L649 I650 V651 C832 F833 L836F643-F647 WeakPolarHBondContact O-CB 3.16Å; F643-F647 PolarHBondContact O-N 2.92Å; W644-F647 AromaticContact CE3-CD1 3.85Å; W644-F647 HydrophobicContact CE3-CD1 3.85Å; W644-F647 HydrophobicContact CH2-CD1 4.33Å; W644-F647 HydrophobicContact CH2-CE1 4.34Å; W644-F647 AromaticContact CZ3-CD1 3.61Å; W644-F647 HydrophobicContact CZ3-CD1 3.61Å; W644-F647 AromaticContact CZ3-CE1 3.83Å; W644-F647 HydrophobicContact CZ3-CE1 3.83Å; W644-F647 PolarHBondContact O-N 3.29Å; F647-L649 VanDerWaalsContact C-N 3.34Å; F647-L649 PolarHBondContact O-N 2.88Å; F647-I650 PolarHBondContact O-N 2.93Å; F647-V651 HydrophobicContact CD1-CG2 4.26Å; F647-V651 HydrophobicContact CD2-CG2 4.41Å; F647-V651 HydrophobicContact CE1-CG2 3.81Å; F647-V651 HydrophobicContact CE2-CG2 3.98Å; F647-V651 HydrophobicContact CZ-CG2 3.65Å; F647-V651 WeakPolarHBondContact O-CG2 3.2Å; F647-V651 PolarHBondContact O-N 3.26Å; F647-C832 HydrophobicContact CD2-CB 4.06Å; F647-C832 HydrophobicContact CE2-CB 4.1Å; F647-F833 AromaticContact CE2-CD1 3.88Å; F647-F833 HydrophobicContact CE2-CD1 3.88Å; F647-F833 AromaticContact CE2-CE1 3.91Å; F647-F833 HydrophobicContact CE2-CE1 3.91Å; F647-F833 HydrophobicContact CE2-CG 4.23Å; F647-F833 HydrophobicContact CE2-CZ 4.28Å; F647-F833 AromaticContact CZ-CD1 3.91Å; F647-F833 HydrophobicContact CZ-CD1 3.91Å; F647-F833 AromaticContact CZ-CE1 3.53Å; F647-F833 HydrophobicContact CZ-CE1 3.53Å; F647-F833 AromaticContact CZ-CZ 3.99Å; F647-F833 HydrophobicContact CZ-CZ 3.99Å; F647-L836 HydrophobicContact CB-CD1 4.41Å; F647-L836 HydrophobicContact CD1-CD2 4.29Å; F647-L836 HydrophobicContact CD2-CB 4.44Å; F647-L836 HydrophobicContact CD2-CD2 4.39Å; F647-L836 HydrophobicContact CE1-CD2 4.5Å; F647-L836 HydrophobicContact CG-CD2 4.24Å
648T92.5Very high90.8Very high6 Ų649.8 Ų49.84%0.03726%0.258CS..Hα-helixtrans-61.9-40.2179.449.50000112L623 W644 W645 V651 I652L623-T648 HydrophobicContact CB-CG2 4.11Å; L623-T648 HydrophobicContact CD1-CG2 3.92Å; W644-T648 HydrophobicContact CD2-CG2 4.01Å; W644-T648 HydrophobicContact CG-CG2 4.45Å; W644-T648 HydrophobicContact CH2-CG2 4.38Å; W644-T648 HydrophobicContact CZ2-CG2 3.8Å; W644-T648 WeakPolarHBondContact O-CB 3.46Å; W644-T648 VanDerWaalsContact O-CG2 3.32Å; W644-T648 WeakPolarHBondContact O-CG2 3.33Å; W644-T648 PolarHBondContact O-N 2.96Å; W644-T648 PolarHBondContact O-OG1 3.45Å; W645-T648 WeakPolarHBondContact CA-OG1 3.37Å; W645-T648 PolarHBondContact O-OG1 3.08Å; T648-V651 PolarHBondContact O-N 2.91Å; T648-I652 WeakPolarHBondContact O-CD1 3.36Å; T648-I652 VanDerWaalsContact O-CG1 3.25Å; T648-I652 WeakPolarHBondContact O-CG1 3.22Å; T648-I652 PolarHBondContact O-N 3.45Å
649L91.2Very high90.3Very high99 Ų9945 Ų4552%0.51824%0.243SC..Hα-helixtrans-60-46.4174.3-173.9155.4000111.7W645 F646 F647 S653W645-L649 VanDerWaalsContact O-CB 3.32Å; W645-L649 WeakPolarHBondContact O-CB 3.4Å; W645-L649 PolarHBondContact O-N 3.24Å; F646-L649 PolarHBondContact O-N 2.93Å; F647-L649 VanDerWaalsContact C-N 3.34Å; F647-L649 PolarHBondContact O-N 2.88Å; L649-S653 VanDerWaalsContact O-CB 3.26Å; L649-S653 WeakPolarHBondContact O-CB 3.34Å; L649-S653 PolarHBondContact O-N 3.23Å; L649-S653 PolarHBondContact O-OG 2.89Å
650I90.4Very high89.7Confident42 Ų4245.6 Ų45.622%0.21526%0.255CS..Hα-helixtrans-62.9-46.3178.3-68.4166.7000110.9F646 F647 I652 S653 S654F646-I650 HydrophobicContact CD1-CD1 3.69Å; F646-I650 HydrophobicContact CE1-CD1 3.38Å; F646-I650 HydrophobicContact CE1-CG1 4.47Å; F646-I650 HydrophobicContact CE2-CD1 4.48Å; F646-I650 HydrophobicContact CG-CD1 4.38Å; F646-I650 HydrophobicContact CZ-CD1 3.82Å; F646-I650 WeakPolarHBondContact O-CG1 3.35Å; F646-I650 PolarHBondContact O-N 3.45Å; F646-I650 VanDerWaalsContact O-N 3.09Å; F647-I650 PolarHBondContact O-N 2.93Å; I650-I652 PolarHBondContact O-N 3.07Å; I650-S653 PolarHBondContact O-N 3Å; I650-S654 VanDerWaalsContact O-CB 3.24Å; I650-S654 WeakPolarHBondContact O-CB 3.28Å; I650-S654 PolarHBondContact O-N 2.86Å; I650-S654 PolarHBondContact O-OG 3.44Å
651V89.9Confident88.9Confident11 Ų1147.2 Ų47.27%0.06727%0.269CS..Hα-helixtrans-60.2-46.8-178.91690000110.9L563 I571 F647 T648 S654 Y655L563-V651 HydrophobicContact CD1-CG1 4.5Å; I571-V651 HydrophobicContact CD1-CG1 3.73Å; I571-V651 HydrophobicContact CG1-CG1 4.44Å; F647-V651 HydrophobicContact CD1-CG2 4.26Å; F647-V651 HydrophobicContact CD2-CG2 4.41Å; F647-V651 HydrophobicContact CE1-CG2 3.81Å; F647-V651 HydrophobicContact CE2-CG2 3.98Å; F647-V651 HydrophobicContact CZ-CG2 3.65Å; F647-V651 WeakPolarHBondContact O-CG2 3.2Å; F647-V651 PolarHBondContact O-N 3.26Å; T648-V651 PolarHBondContact O-N 2.91Å; V651-S654 PolarHBondContact O-N 2.93Å; V651-Y655 VanDerWaalsContact O-CB 3.31Å; V651-Y655 WeakPolarHBondContact O-CB 3.46Å; V651-Y655 PolarHBondContact O-N 3.1Å
652I90.2Very high88Confident34 Ų3448.7 Ų48.717%0.17428%0.275CS..Hα-helixtrans-71.2-39.9-177.9-62.2165.7000111.2L623 Q625 T648 I650 S654 Y655 T656L623-I652 WeakPolarHBondContact O-CD1 3.37Å; Q625-I652 HydrophobicContact CG-CD1 3.53Å; T648-I652 WeakPolarHBondContact O-CD1 3.36Å; T648-I652 VanDerWaalsContact O-CG1 3.25Å; T648-I652 WeakPolarHBondContact O-CG1 3.22Å; T648-I652 PolarHBondContact O-N 3.45Å; I650-I652 PolarHBondContact O-N 3.07Å; I652-S654 VanDerWaalsContact C-N 3.33Å; I652-S654 PolarHBondContact O-N 3.4Å; I652-Y655 PolarHBondContact O-N 3.29Å; I652-T656 HydrophobicContact CG2-CG2 4.3Å; I652-T656 WeakPolarHBondContact O-CB 3.43Å; I652-T656 VanDerWaalsContact O-CG2 3.29Å; I652-T656 WeakPolarHBondContact O-CG2 3.26Å; I652-T656 PolarHBondContact O-N 3.34Å; I652-T656 PolarHBondContact O-OG1 2.83Å
653S89.2Confident86.9Confident55 Ų5553.8 Ų53.839%0.38529%0.293SS..Hα-helixtrans-64.7-40176.3-560000111.5L649 I650 T656 A657L649-S653 VanDerWaalsContact O-CB 3.26Å; L649-S653 WeakPolarHBondContact O-CB 3.34Å; L649-S653 PolarHBondContact O-N 3.23Å; L649-S653 PolarHBondContact O-OG 2.89Å; I650-S653 PolarHBondContact O-N 3Å; S653-T656 WeakPolarHBondContact CA-OG1 3.23Å; S653-T656 PolarHBondContact O-OG1 2.82Å; S653-A657 VanDerWaalsContact O-CB 3.28Å; S653-A657 WeakPolarHBondContact O-CB 3.38Å; S653-A657 PolarHBondContact O-N 2.84Å
654S87.8Confident85.8Confident34 Ų3455.9 Ų55.924%0.23831%0.312CS..Hα-helixtrans-68.5-41176.4-56.60000111.7I650 V651 I652 N658I650-S654 VanDerWaalsContact O-CB 3.24Å; I650-S654 WeakPolarHBondContact O-CB 3.28Å; I650-S654 PolarHBondContact O-N 2.86Å; I650-S654 PolarHBondContact O-OG 3.44Å; V651-S654 PolarHBondContact O-N 2.93Å; I652-S654 VanDerWaalsContact C-N 3.33Å; I652-S654 PolarHBondContact O-N 3.4Å; S654-N658 WeakPolarHBondContact O-CB 3.14Å; S654-N658 PolarHBondContact O-N 3.06Å
655Y89Confident84.2Confident50 Ų5057.5 Ų57.520%0.19632%0.322CS..Hα-helixtrans-61.7-48.1174.8170.6-98.8000111.5F559 P562 L563 W568 V651 I652 N658 L659F559-Y655 VanDerWaalsContact O-CE2 3.28Å; F559-Y655 WeakPolarHBondContact O-CE2 3.49Å; F559-Y655 PolarHBondContact O-OH 3.21Å; P562-Y655 HydrophobicContact CB-CD2 4.13Å; P562-Y655 HydrophobicContact CB-CE2 4.34Å; P562-Y655 HydrophobicContact CG-CD2 4.36Å; P562-Y655 HydrophobicContact CG-CE2 4.08Å; L563-Y655 HydrophobicContact CD1-CD2 4.16Å; L563-Y655 HydrophobicContact CG-CD2 4.41Å; W568-Y655 HydrophobicContact CZ2-CD2 4.43Å; W568-Y655 HydrophobicContact CZ2-CE2 4.31Å; V651-Y655 VanDerWaalsContact O-CB 3.31Å; V651-Y655 WeakPolarHBondContact O-CB 3.46Å; V651-Y655 PolarHBondContact O-N 3.1Å; I652-Y655 PolarHBondContact O-N 3.29Å; Y655-N658 PolarHBondContact O-N 2.96Å; Y655-L659 HydrophobicContact CE1-CD2 4.16Å; Y655-L659 WeakPolarHBondContact O-CB 3.49Å; Y655-L659 PolarHBondContact O-N 3.28Å
656T87.5Confident82.6Confident75 Ų7554.9 Ų54.946%0.4633%0.33SS..Hα-helixtrans-66-44.1-178.848.30000112.2I652 S653 L659 A660I652-T656 HydrophobicContact CG2-CG2 4.3Å; I652-T656 WeakPolarHBondContact O-CB 3.43Å; I652-T656 VanDerWaalsContact O-CG2 3.29Å; I652-T656 WeakPolarHBondContact O-CG2 3.26Å; I652-T656 PolarHBondContact O-N 3.34Å; I652-T656 PolarHBondContact O-OG1 2.83Å; S653-T656 WeakPolarHBondContact CA-OG1 3.23Å; S653-T656 PolarHBondContact O-OG1 2.82Å; T656-L659 PolarHBondContact O-N 2.83Å; T656-A660 PolarHBondContact O-N 2.9Å; T656-A660 VanDerWaalsContact O-N 3.11Å
657A86.2Confident80.8Confident65 Ų6554.4 Ų54.454%0.53732%0.324SS..Hα-helixtrans-62.6-45.8175.300000111.8S653 A660 A661S653-A657 VanDerWaalsContact O-CB 3.28Å; S653-A657 WeakPolarHBondContact O-CB 3.38Å; S653-A657 PolarHBondContact O-N 2.84Å; A657-A660 PolarHBondContact O-N 3.07Å; A657-A661 PolarHBondContact O-N 3.35Å; A657-A661 VanDerWaalsContact O-N 3.08Å
658N83.1Confident79Confident18 Ų1858.3 Ų58.310%0.09634%0.344CS..Hα-helixtrans-71.1-35-179-160.534.8000111.7P562 S654 Y655 A660 A661 F662 L824P562-N658 WeakPolarHBondContact CA-ND2 3.25Å; P562-N658 HydrophobicContact CB-CB 4.03Å; P562-N658 PolarHBondContact O-ND2 3.22Å; S654-N658 WeakPolarHBondContact O-CB 3.14Å; S654-N658 PolarHBondContact O-N 3.06Å; Y655-N658 PolarHBondContact O-N 2.96Å; N658-A660 VanDerWaalsContact C-N 3.34Å; N658-A660 PolarHBondContact O-N 3.2Å; N658-A661 PolarHBondContact O-N 3.32Å; N658-F662 VanDerWaalsContact ND2-CE2 3.27Å; N658-F662 WeakPolarHBondContact ND2-CE2 3.47Å; N658-F662 WeakPolarHBondContact O-CB 3.5Å; N658-F662 VanDerWaalsContact O-CD2 3.27Å; N658-F662 WeakPolarHBondContact O-CD2 3.49Å; N658-F662 PolarHBondContact O-N 3.03Å; N658-L824 HydrophobicContact CB-CD1 4.08Å; N658-L824 VanDerWaalsContact ND2-CD1 3.27Å; N658-L824 WeakPolarHBondContact ND2-CD1 3.02Å
659L83.2Confident77.4Confident38 Ų3863.2 Ų63.220%0.19937%0.373CS..Hα-helixtrans-60.2-43.3172.7-178.563.1000111.7P562 Y655 T656 A661 F662 L663P562-L659 HydrophobicContact CG-CB 3.94Å; P562-L659 HydrophobicContact CG-CD1 3.81Å; P562-L659 HydrophobicContact CG-CG 4.49Å; Y655-L659 HydrophobicContact CE1-CD2 4.16Å; Y655-L659 WeakPolarHBondContact O-CB 3.49Å; Y655-L659 PolarHBondContact O-N 3.28Å; T656-L659 PolarHBondContact O-N 2.83Å; L659-A661 VanDerWaalsContact C-N 3.34Å; L659-A661 PolarHBondContact O-N 3.14Å; L659-F662 PolarHBondContact O-N 2.88Å; L659-L663 HydrophobicContact CD1-CD1 4.33Å; L659-L663 HydrophobicContact CD1-CG 4.28Å; L659-L663 HydrophobicContact CG-CD1 4.18Å; L659-L663 WeakPolarHBondContact O-CG 3.4Å; L659-L663 PolarHBondContact O-N 3.28Å
660A79.7Confident76.3Confident57 Ų5760 Ų6047%0.47136%0.361SS..Hα-helixtrans-62.3-41.3175.600000112T656 A657 N658 L663 T664T656-A660 PolarHBondContact O-N 2.9Å; T656-A660 VanDerWaalsContact O-N 3.11Å; A657-A660 PolarHBondContact O-N 3.07Å; N658-A660 VanDerWaalsContact C-N 3.34Å; N658-A660 PolarHBondContact O-N 3.2Å; A660-L663 PolarHBondContact O-N 3.27Å; A660-T664 WeakPolarHBondContact O-CG2 3.39Å; A660-T664 PolarHBondContact O-N 2.89Å; A660-T664 PolarHBondContact O-OG1 3.4Å
661A76.6Confident75.4Confident36 Ų3661.7 Ų61.730%0.29838%0.375SS..Hα-helixtrans-63.5-42.7173.300000111.9A657 N658 L659 L663 T664 V665A657-A661 PolarHBondContact O-N 3.35Å; A657-A661 VanDerWaalsContact O-N 3.08Å; N658-A661 PolarHBondContact O-N 3.32Å; L659-A661 VanDerWaalsContact C-N 3.34Å; L659-A661 PolarHBondContact O-N 3.14Å; A661-L663 PolarHBondContact O-N 2.94Å; A661-T664 PolarHBondContact O-N 3.02Å; A661-T664 PolarHBondContact O-OG1 3.11Å; A661-V665 WeakPolarHBondContact O-CG2 3.46Å; A661-V665 PolarHBondContact O-N 3.18Å; A661-V665 VanDerWaalsContact O-N 3.17Å
662F72.4Confident75Confident32 Ų3261.3 Ų61.314%0.1437%0.372CS..Hα-helixtrans-64.7-36.6178.3-98.9-95.2000113.2P562 N658 L659 T664 A821P562-F662 HydrophobicContact CB-CD2 4.4Å; N658-F662 VanDerWaalsContact ND2-CE2 3.27Å; N658-F662 WeakPolarHBondContact ND2-CE2 3.47Å; N658-F662 WeakPolarHBondContact O-CB 3.5Å; N658-F662 VanDerWaalsContact O-CD2 3.27Å; N658-F662 WeakPolarHBondContact O-CD2 3.49Å; N658-F662 PolarHBondContact O-N 3.03Å; L659-F662 PolarHBondContact O-N 2.88Å; F662-T664 VanDerWaalsContact C-N 3.35Å; F662-A821 HydrophobicContact CD2-CB 4.4Å; F662-A821 HydrophobicContact CE2-CB 4.49Å; F662-A821 VanDerWaalsContact CE2-O 3.3Å; F662-A821 WeakPolarHBondContact CE2-O 3.35Å; F662-A821 WeakPolarHBondContact CZ-O 3.19Å
663L70.7Confident74.6Confident139 Ų13966.5 Ų66.573%0.72840%0.396SS*.Hα-helixtrans-75.8-23.5178.2-70.7174.2000113.2L659 A660 A661L659-L663 HydrophobicContact CD1-CD1 4.33Å; L659-L663 HydrophobicContact CD1-CG 4.28Å; L659-L663 HydrophobicContact CG-CD1 4.18Å; L659-L663 WeakPolarHBondContact O-CG 3.4Å; L659-L663 PolarHBondContact O-N 3.28Å; A660-L663 PolarHBondContact O-N 3.27Å; A661-L663 PolarHBondContact O-N 2.94Å
664T70.4Confident74.5Confident115 Ų11566.9 Ų66.971%0.70639%0.394SS*.Hα-helixtrans-87.5-20.8178.750.10000112.9A660 A661 F662A660-T664 WeakPolarHBondContact O-CG2 3.39Å; A660-T664 PolarHBondContact O-N 2.89Å; A660-T664 PolarHBondContact O-OG1 3.4Å; A661-T664 PolarHBondContact O-N 3.02Å; A661-T664 PolarHBondContact O-OG1 3.11Å; F662-T664 VanDerWaalsContact C-N 3.35Å
665V61.3Low74.4Confident34 Ų3465.5 Ų65.521%0.20638%0.384CS..  trans-107.9105.5-178.8-177.70000110.2A661 S819 A821A661-V665 WeakPolarHBondContact O-CG2 3.46Å; A661-V665 PolarHBondContact O-N 3.18Å; A661-V665 VanDerWaalsContact O-N 3.17Å; V665-S819 WeakPolarHBondContact CG2-OG 3.47Å; V665-A821 HydrophobicContact CB-CB 4.43Å; V665-A821 HydrophobicContact CG2-CB 4.43Å
666A57.5Low74.4Confident83 Ų8366.2 Ų66.269%0.68639%0.389SS*.  trans-69.5134.3166.600000109.9
667R55.1Low74.4Confident115 Ų11565 Ų6543%0.43438%0.38SS..  trans-96.6116.2-179.9-77-175.6174.9-165.1-6.3111.4V669 A821R667-V669 HydrophobicContact CB-CG2 4.45Å; R667-A821 PolarHBondContact NH2-O 3.22Å
668M55.8Low74.5Confident87 Ų8761.9 Ų61.943%0.42935%0.354SS..  trans-96.8104.5153.6-72.7-177.9-11700108.1R548R548-M668 HydrophobicContact CG-SD 4.39Å
669V59.4Low74.8Confident109 Ų10961.1 Ų61.166%0.66135%0.351SS*.  trans-94.3100.1169-175.50000107.1R667R667-V669 HydrophobicContact CB-CG2 4.45Å
670A67.3Low75Confident31 Ų3165.6 Ų65.626%0.25637%0.368SS..  trans-67.8135.6172.300000109.1I672 M756A670-I672 PolarHBondContact O-N 2.99Å; A670-M756 HydrophobicContact CB-CE 4.3Å
671P71.4Confident75.5Confident77 Ų7765 Ų6550%0.536%0.356SS..SBendtrans-72.4-13.1-179.429-34.5000113.6Y546 I684Y546-P671 HydrophobicContact CD1-CG 4.41Å; Y546-P671 HydrophobicContact CE1-CG 3.64Å; P671-I684 HydrophobicContact CB-CD1 4.11Å; P671-I684 HydrophobicContact CG-CD1 4.19Å
672I81.1Confident75.8Confident3 Ų368.3 Ų68.32%0.01537%0.372CS..  trans-138.7138.8179.246.2167000108.5I544 Y546 A670 D677 L678 I684 A737 V758I544-I672 HydrophobicContact CG2-CD1 4.25Å; Y546-I672 HydrophobicContact CD1-CD1 4.44Å; Y546-I672 HydrophobicContact CD2-CD1 4.5Å; Y546-I672 HydrophobicContact CG-CD1 4.19Å; A670-I672 PolarHBondContact O-N 2.99Å; I672-D677 HydrophobicContact CG2-CB 4.23Å; I672-L678 HydrophobicContact CD1-CD1 4.23Å; I672-L678 HydrophobicContact CD1-CD2 3.92Å; I672-L678 HydrophobicContact CD1-CG 4.08Å; I672-L678 HydrophobicContact CG2-CD2 3.94Å; I672-L678 HydrophobicContact CG2-CG 4.13Å; I672-I684 HydrophobicContact CG2-CD1 3.62Å; I672-A737 HydrophobicContact CD1-CB 4.29Å; I672-V758 HydrophobicContact CB-CG1 4.25Å; I672-V758 HydrophobicContact CD1-CB 4.3Å; I672-V758 HydrophobicContact CD1-CG1 3.96Å; I672-V758 HydrophobicContact CD1-CG2 4.04Å; I672-V758 HydrophobicContact CG1-CG1 3.84Å; I672-V758 HydrophobicContact CG1-CG2 4.15Å; I672-V758 VanDerWaalsContact O-CG1 3.24Å; I672-V758 WeakPolarHBondContact O-CG1 3.25Å
673E82.2Confident76.6Confident144 Ų14474 Ų7467%0.67340%0.397SS*.SBendtrans-110.9-30.2177.2-63-176.8175.100111.8D677 G759E673-D677 PolarHBondContact N-OD2 2.76Å; E673-G759 WeakPolarHBondContact O-CA 3.44Å; E673-G759 PolarHBondContact O-N 3.32Å
674N85.9Confident77.5Confident63 Ų6367.9 Ų67.934%0.33737%0.365SS..SBendtrans-148.3178.2-176.96053.8000112.2E676 D677N674-E676 VanDerWaalsContact C-N 3.32Å; N674-E676 PolarHBondContact O-N 3.3Å; N674-E676 WeakPolarHBondContact OD1-CA 3.41Å; N674-E676 VanDerWaalsContact OD1-CB 3.24Å; N674-E676 WeakPolarHBondContact OD1-CB 3.17Å; N674-E676 PolarHBondContact OD1-N 3.29Å; N674-D677 PolarHBondContact N-OD2 3.01Å; N674-D677 PolarHBondContact O-N 3.29Å; N674-D677 PolarHBondContact OD1-N 2.6Å; N674-D677 PolarHBondContact OD1-OD2 2.91Å
675A86.9Confident78.5Confident5 Ų566.7 Ų66.74%0.04135%0.35CS..Hα-helixtrans-69.3-26.4178.100000113.9I544 D677 L678 A679 Y706 M709 L762I544-A675 HydrophobicContact CD1-CB 4.15Å; A675-D677 VanDerWaalsContact C-N 3.32Å; A675-L678 WeakPolarHBondContact O-CB 3.47Å; A675-L678 PolarHBondContact O-N 2.81Å; A675-A679 PolarHBondContact O-N 3.4Å; A675-Y706 HydrophobicContact CB-CE1 4.44Å; A675-M709 HydrophobicContact CB-CE 4.49Å; A675-M709 HydrophobicContact CB-SD 4.12Å; A675-L762 HydrophobicContact CB-CD1 4Å; A675-L762 HydrophobicContact CB-CD2 3.54Å; A675-L762 HydrophobicContact CB-CG 4.44Å
676E88Confident80.1Confident65 Ų6565.2 Ų65.230%0.30434%0.341SS..Hα-helixtrans-66.1-38.7177.6-174.364.5-148.300110.8N674 L678 A679 K680 T705N674-E676 VanDerWaalsContact C-N 3.32Å; N674-E676 PolarHBondContact O-N 3.3Å; N674-E676 WeakPolarHBondContact OD1-CA 3.41Å; N674-E676 VanDerWaalsContact OD1-CB 3.24Å; N674-E676 WeakPolarHBondContact OD1-CB 3.17Å; N674-E676 PolarHBondContact OD1-N 3.29Å; E676-L678 VanDerWaalsContact C-N 3.32Å; E676-L678 PolarHBondContact O-N 3.32Å; E676-A679 PolarHBondContact O-N 2.88Å; E676-K680 HydrophobicContact CG-CD 4.1Å; E676-K680 WeakPolarHBondContact O-CB 3.38Å; E676-K680 WeakPolarHBondContact O-CG 3.5Å; E676-K680 PolarHBondContact O-N 2.94Å; E676-K680 WeakPolarHBondContact OE1-CE 3.26Å; E676-K680 IonicContact OE1-NZ 3.46Å; E676-T705 VanDerWaalsContact OE2-CB 3.31Å; E676-T705 WeakPolarHBondContact OE2-CB 3.49Å; E676-T705 WeakPolarHBondContact OE2-CG2 3.37Å; E676-T705 PolarHBondContact OE2-OG1 3.12Å
677D89.1Confident81.8Confident49 Ų4961.3 Ų61.326%0.26231%0.308SS..Hα-helixtrans-60-45.9174.5-62-26.5000110.5I672 E673 N674 A675 A679 K680 Q681I672-D677 HydrophobicContact CG2-CB 4.23Å; E673-D677 PolarHBondContact N-OD2 2.76Å; N674-D677 PolarHBondContact N-OD2 3.01Å; N674-D677 PolarHBondContact O-N 3.29Å; N674-D677 PolarHBondContact OD1-N 2.6Å; N674-D677 PolarHBondContact OD1-OD2 2.91Å; A675-D677 VanDerWaalsContact C-N 3.32Å; D677-A679 VanDerWaalsContact C-N 3.31Å; D677-A679 PolarHBondContact O-N 2.96Å; D677-K680 PolarHBondContact O-N 2.77Å; D677-Q681 WeakPolarHBondContact O-CG 3.38Å; D677-Q681 PolarHBondContact O-N 2.82Å
678L88.1Confident83.6Confident0 Ų055.8 Ų55.80%029%0.288CS..Hα-helixtrans-59.7-40.5175.5-79.6174.6000112.1I544 I672 A675 E676 Q681 I684 Y686 A737I544-L678 HydrophobicContact CD1-CD1 3.74Å; I544-L678 HydrophobicContact CG1-CD1 4.09Å; I544-L678 HydrophobicContact CG2-CD1 4.04Å; I672-L678 HydrophobicContact CD1-CD1 4.23Å; I672-L678 HydrophobicContact CD1-CD2 3.92Å; I672-L678 HydrophobicContact CD1-CG 4.08Å; I672-L678 HydrophobicContact CG2-CD2 3.94Å; I672-L678 HydrophobicContact CG2-CG 4.13Å; A675-L678 WeakPolarHBondContact O-CB 3.47Å; A675-L678 PolarHBondContact O-N 2.81Å; E676-L678 VanDerWaalsContact C-N 3.32Å; E676-L678 PolarHBondContact O-N 3.32Å; L678-Q681 PolarHBondContact O-NE2 3.36Å; L678-Q681 VanDerWaalsContact O-NE2 3.15Å; L678-I684 HydrophobicContact CD2-CB 4.22Å; L678-I684 HydrophobicContact CD2-CG2 3.84Å; L678-Y686 HydrophobicContact CB-CD1 4.19Å; L678-Y686 HydrophobicContact CB-CE1 4.25Å; L678-Y686 HydrophobicContact CD2-CD1 3.98Å; L678-Y686 WeakPolarHBondContact O-CE1 3.47Å; L678-A737 HydrophobicContact CD1-CB 4.11Å; L678-A737 HydrophobicContact CD2-CB 4.03Å
679A88.4Confident85.2Confident2 Ų254.3 Ų54.32%0.01728%0.281CS..Hα-helixtrans-71.5-32.8-179.700000113.3A675 E676 D677 T705 R708 M709A675-A679 PolarHBondContact O-N 3.4Å; E676-A679 PolarHBondContact O-N 2.88Å; D677-A679 VanDerWaalsContact C-N 3.31Å; D677-A679 PolarHBondContact O-N 2.96Å; A679-T705 HydrophobicContact CB-CG2 3.65Å; A679-R708 VanDerWaalsContact O-CZ 3.23Å; A679-R708 PolarHBondContact O-NE 2.9Å; A679-R708 PolarHBondContact O-NH2 2.64Å; A679-M709 HydrophobicContact CB-CG 3.81Å; A679-M709 HydrophobicContact CB-SD 4.45Å
680K88.6Confident86.4Confident132 Ų13255 Ų5557%0.57428%0.277SS*.Hα-helixtrans-74-26.4179.9-77.6171.4177.5160.70113.3E676 D677E676-K680 HydrophobicContact CG-CD 4.1Å; E676-K680 WeakPolarHBondContact O-CB 3.38Å; E676-K680 WeakPolarHBondContact O-CG 3.5Å; E676-K680 PolarHBondContact O-N 2.94Å; E676-K680 WeakPolarHBondContact OE1-CE 3.26Å; E676-K680 IonicContact OE1-NZ 3.46Å; D677-K680 PolarHBondContact O-N 2.77Å
681Q88.6Confident87Confident43 Ų4355.1 Ų55.120%0.20128%0.281CS..  trans-109.6163-175.868.879.937.900112.5D677 L678 I684D677-Q681 WeakPolarHBondContact O-CG 3.38Å; D677-Q681 PolarHBondContact O-N 2.82Å; L678-Q681 PolarHBondContact O-NE2 3.36Å; L678-Q681 VanDerWaalsContact O-NE2 3.15Å; Q681-I684 PolarHBondContact NE2-O 3Å
682T84.5Confident87.7Confident106 Ų10652.6 Ų52.665%0.6527%0.269SS*.SBendtrans-127-1.1178.756.20000114.2F712T682-F712 HydrophobicContact CG2-CE2 4.32Å
683K87.3Confident88Confident151 Ų15153.1 Ų53.166%0.65727%0.273SS*.SBendtrans-72.6-51.1-178.1-173.9-175.8175.7-163.10111.7K685 E735K683-K685 PolarHBondContact O-N 2.93Å; K683-E735 VanDerWaalsContact CE-OE2 3.29Å; K683-E735 WeakPolarHBondContact CE-OE2 3.37Å; K683-E735 IonicContact NZ-OE1 2.7Å; K683-E735 IonicContact NZ-OE2 3.67Å
684I89.9Confident88.4Confident12 Ų1247 Ų476%0.06225%0.245CC..SBendtrans-80.1114.8173.9-58.8166.6000107.1Y546 P671 I672 L678 Q681 A737Y546-I684 HydrophobicContact CE2-CG2 3.91Å; P671-I684 HydrophobicContact CB-CD1 4.11Å; P671-I684 HydrophobicContact CG-CD1 4.19Å; I672-I684 HydrophobicContact CG2-CD1 3.62Å; L678-I684 HydrophobicContact CD2-CB 4.22Å; L678-I684 HydrophobicContact CD2-CG2 3.84Å; Q681-I684 PolarHBondContact NE2-O 3Å; I684-A737 HydrophobicContact CG2-CB 4.06Å
685K92.8Very high88.7Confident90 Ų9044.3 Ų44.339%0.39123%0.231SC..EExtended strand (participates in β ladder)trans-74.7149.3175.5-67.5176.3-174.5173.60108.9K683 L719 E735 Y736 A737K683-K685 PolarHBondContact O-N 2.93Å; K685-L719 HydrophobicContact CB-CD2 3.8Å; K685-L719 HydrophobicContact CD-CD2 4.23Å; K685-L719 HydrophobicContact CG-CD2 4.24Å; K685-E735 PolarHBondContact N-O 3.2Å; K685-E735 VanDerWaalsContact N-O 3.08Å; K685-Y736 HydrophobicContact CB-CD2 3.9Å; K685-Y736 CarbonylContact O-C 3.42Å; K685-Y736 VanDerWaalsContact O-CA 3.27Å; K685-Y736 WeakPolarHBondContact O-CA 3.41Å; K685-Y736 WeakPolarHBondContact O-CD2 3.41Å; K685-A737 PolarHBondContact O-N 3.48Å
686Y94Very high88.8Confident3 Ų345.5 Ų45.51%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-145156.3176.154.3-92.6000112.1L678 M709 F712 M713 A737 L739L678-Y686 HydrophobicContact CB-CD1 4.19Å; L678-Y686 HydrophobicContact CB-CE1 4.25Å; L678-Y686 HydrophobicContact CD2-CD1 3.98Å; L678-Y686 WeakPolarHBondContact O-CE1 3.47Å; Y686-M709 HydrophobicContact CD2-CE 4.06Å; Y686-M709 HydrophobicContact CE2-CB 3.77Å; Y686-M709 HydrophobicContact CE2-CE 3.99Å; Y686-M709 HydrophobicContact CE2-CG 3.88Å; Y686-F712 HydrophobicContact CD1-CD1 4.15Å; Y686-F712 AromaticContact CD1-CE1 3.95Å; Y686-F712 HydrophobicContact CD1-CE1 3.95Å; Y686-F712 HydrophobicContact CD2-CD1 4.11Å; Y686-F712 AromaticContact CE1-CD1 3.61Å; Y686-F712 HydrophobicContact CE1-CD1 3.61Å; Y686-F712 AromaticContact CE1-CE1 3.71Å; Y686-F712 HydrophobicContact CE1-CE1 3.71Å; Y686-F712 HydrophobicContact CE1-CG 4.29Å; Y686-F712 HydrophobicContact CE1-CZ 4.47Å; Y686-F712 HydrophobicContact CE2-CB 4.29Å; Y686-F712 AromaticContact CE2-CD1 3.56Å; Y686-F712 HydrophobicContact CE2-CD1 3.56Å; Y686-F712 HydrophobicContact CE2-CE1 4.31Å; Y686-F712 HydrophobicContact CE2-CG 4.28Å; Y686-F712 HydrophobicContact CG-CD1 4.38Å; Y686-F712 HydrophobicContact CG-CE1 4.37Å; Y686-F712 AromaticContact CZ-CD1 3.29Å; Y686-F712 AromaticContact CZ-CE1 3.92Å; Y686-F712 AromaticContact CZ-CG 3.79Å; Y686-F712 WeakPolarHBondContact OH-CB 3.45Å; Y686-M713 HydrophobicContact CD2-CG 3.85Å; Y686-M713 HydrophobicContact CD2-SD 4.12Å; Y686-M713 HydrophobicContact CE2-CG 3.96Å; Y686-A737 WeakPolarHBondContact CA-O 3.48Å; Y686-A737 VanDerWaalsContact CB-O 3.3Å; Y686-A737 WeakPolarHBondContact CB-O 3.39Å; Y686-L739 HydrophobicContact CD2-CD1 4.2Å
687G93.9Very high89Confident0 Ų044.5 Ų44.50%024%0.235CC..EExtended strand (participates in β ladder)trans-172.3170.5-176.500000112.6M713 Y736 A737 F738 L739G687-M713 VanDerWaalsContact CA-SD 3.6Å; G687-Y736 VanDerWaalsContact C-OH 3.22Å; G687-Y736 WeakPolarHBondContact CA-OH 3.4Å; G687-Y736 PolarHBondContact N-OH 3.08Å; G687-Y736 PolarHBondContact O-OH 2.94Å; G687-A737 PolarHBondContact N-O 3.28Å; G687-F738 WeakPolarHBondContact O-CA 3.49Å; G687-F738 VanDerWaalsContact O-CD2 3.25Å; G687-F738 WeakPolarHBondContact O-CD2 3.32Å; G687-L739 PolarHBondContact O-N 2.6Å
688S93.2Very high89.2Confident0 Ų042.1 Ų42.10%022%0.223CC..  trans-122.5-177.6177.354.30000111T695 L720 M721S688-T695 PolarHBondContact OG-OG1 3.35Å; S688-L720 WeakPolarHBondContact O-CA 3.32Å; S688-M721 PolarHBondContact O-N 3.08Å
689I89.1Confident89.3Confident55 Ų5547.6 Ų47.628%0.28225%0.248SC..BIsolated β-bridgetrans-64.3141.4169.4-63.1-179.9000109.5G691 T695 M721 T724 F738I689-G691 PolarHBondContact O-N 2.8Å; I689-T695 PolarHBondContact O-OG1 3.37Å; I689-M721 CarbonylContact C-O 3.5Å; I689-M721 VanDerWaalsContact CA-O 3.27Å; I689-M721 WeakPolarHBondContact CA-O 3.48Å; I689-T724 WeakPolarHBondContact CD1-OG1 3.22Å; I689-F738 HydrophobicContact CD1-CZ 4.38Å; I689-F738 HydrophobicContact CG1-CE2 4.23Å; I689-F738 HydrophobicContact CG1-CZ 3.64Å
690Q84Confident89.4Confident125 Ų12553.3 Ų53.358%0.58428%0.275SS*.SBendtrans-65.3119.1174.4-174.2174-4.200110.1L720 M721 N722Q690-L720 HydrophobicContact CB-CB 4.2Å; Q690-M721 PolarHBondContact N-O 3.43Å; Q690-N722 PolarHBondContact OE1-OD1 2.73Å; Q690-N722 VanDerWaalsContact OE1-OD1 3.05Å
691G80.4Confident89.4Confident32 Ų3248 Ų4833%0.3325%0.254SS..SBendtrans74.2-178.8-171.200000113.2I689 T695I689-G691 PolarHBondContact O-N 2.8Å; G691-T695 PolarHBondContact O-OG1 2.89Å
692G85.7Confident89.5Confident24 Ų2453.5 Ų53.525%0.24729%0.285CS..SBendtrans85.7179.4-178.700000114.7T694 T695 A696G692-T694 PolarHBondContact O-N 2.85Å; G692-T695 PolarHBondContact O-N 2.95Å; G692-A696 PolarHBondContact O-N 3.04Å; G692-A696 VanDerWaalsContact O-N 3.1Å
693S87.6Confident89.8Confident15 Ų1553.8 Ų53.811%0.10528%0.277CS..Hα-helixtrans-67.8-31.2-169.659.40000113.9T522 F697 E741T522-S693 PolarHBondContact OG1-OG 3.43Å; T522-S693 VanDerWaalsContact OG1-OG 3.12Å; S693-F697 WeakPolarHBondContact O-CB 3.47Å; S693-F697 PolarHBondContact O-N 3.18Å; S693-F697 VanDerWaalsContact O-N 3.1Å; S693-E741 PolarHBondContact OG-OE1 3.28Å
694T91.3Very high90Very high15 Ų1550.9 Ų50.99%0.09228%0.276CS..Hα-helixtrans-68.8-42.8177.3-51.70000111.3I542 G692 F697 F698 L739I542-T694 HydrophobicContact CD1-CG2 4.04Å; I542-T694 HydrophobicContact CG1-CG2 4.11Å; I542-T694 HydrophobicContact CG2-CG2 4.08Å; G692-T694 PolarHBondContact O-N 2.85Å; T694-F697 WeakPolarHBondContact O-CB 3.5Å; T694-F697 PolarHBondContact O-N 3.46Å; T694-F698 HydrophobicContact CG2-CD2 4.37Å; T694-F698 HydrophobicContact CG2-CE2 3.94Å; T694-F698 WeakPolarHBondContact O-CD2 3.42Å; T694-F698 PolarHBondContact O-N 3.01Å; T694-L739 HydrophobicContact CG2-CB 4.33Å
695T90.6Very high90.1Very high7 Ų750.7 Ų50.74%0.04328%0.276CS..Hα-helixtrans-71.9-45.5-178.7-61.60000111.2S688 I689 G691 G692 F697 F698 E699 W710S688-T695 PolarHBondContact OG-OG1 3.35Å; I689-T695 PolarHBondContact O-OG1 3.37Å; G691-T695 PolarHBondContact O-OG1 2.89Å; G692-T695 PolarHBondContact O-N 2.95Å; T695-F697 VanDerWaalsContact C-N 3.26Å; T695-F697 PolarHBondContact O-N 3.39Å; T695-F698 PolarHBondContact O-N 2.95Å; T695-F698 VanDerWaalsContact O-N 3.15Å; T695-E699 PolarHBondContact O-N 2.83Å; T695-W710 HydrophobicContact CG2-CH2 3.81Å; T695-W710 HydrophobicContact CG2-CZ3 3.56Å
696A89.5Confident90.2Very high29 Ų2948.3 Ų48.324%0.2426%0.264CS..Hα-helixtrans-57.1-39.7173.800000112G692 F698 E699 E700G692-A696 PolarHBondContact O-N 3.04Å; G692-A696 VanDerWaalsContact O-N 3.1Å; A696-F698 PolarHBondContact O-N 3.17Å; A696-E699 PolarHBondContact O-N 2.85Å; A696-E700 WeakPolarHBondContact O-CB 3.49Å; A696-E700 WeakPolarHBondContact O-CG 3.24Å; A696-E700 PolarHBondContact O-N 3.48Å
697F92.6Very high90.1Very high44 Ų4453.4 Ų53.419%0.19329%0.287CS..Hα-helixtrans-56.8-45.9175.8168.2-92.5000112.9I542 S693 T694 T695 S701 Y706 D763I542-F697 HydrophobicContact CD1-CB 3.87Å; I542-F697 HydrophobicContact CD1-CD1 3.25Å; I542-F697 HydrophobicContact CD1-CD2 4.26Å; I542-F697 HydrophobicContact CD1-CE1 3.79Å; I542-F697 HydrophobicContact CD1-CG 3.52Å; I542-F697 HydrophobicContact CD1-CZ 4.46Å; S693-F697 WeakPolarHBondContact O-CB 3.47Å; S693-F697 PolarHBondContact O-N 3.18Å; S693-F697 VanDerWaalsContact O-N 3.1Å; T694-F697 WeakPolarHBondContact O-CB 3.5Å; T694-F697 PolarHBondContact O-N 3.46Å; T695-F697 VanDerWaalsContact C-N 3.26Å; T695-F697 PolarHBondContact O-N 3.39Å; F697-S701 VanDerWaalsContact O-CB 3.25Å; F697-S701 WeakPolarHBondContact O-CB 3.22Å; F697-S701 PolarHBondContact O-N 3.29Å; F697-S701 VanDerWaalsContact O-N 3.12Å; F697-Y706 AromaticContact CE1-CD2 3.87Å; F697-Y706 HydrophobicContact CE1-CD2 3.87Å; F697-Y706 HydrophobicContact CE1-CE2 4.13Å; F697-Y706 HydrophobicContact CE1-CG 4.11Å; F697-Y706 AromaticContact CZ-CD2 3.67Å; F697-Y706 HydrophobicContact CZ-CD2 3.67Å; F697-Y706 AromaticContact CZ-CE2 3.66Å; F697-Y706 HydrophobicContact CZ-CE2 3.66Å; F697-Y706 HydrophobicContact CZ-CG 4.37Å; F697-D763 HydrophobicContact CD2-CB 4.49Å; F697-D763 HydrophobicContact CE2-CB 3.79Å; F697-D763 HydrophobicContact CZ-CB 4.05Å
698F93.7Very high89.9Confident0 Ų059.4 Ų59.40%031%0.309CS..Hα-helixtrans-71.4-35.6179.1-72.2-73.1000111.9I542 T694 T695 A696 Y706 M709 W710 M713 L739 L762I542-F698 HydrophobicContact CD1-CE2 4.23Å; I542-F698 HydrophobicContact CG2-CE2 4.25Å; I542-F698 HydrophobicContact CG2-CZ 4.25Å; T694-F698 HydrophobicContact CG2-CD2 4.37Å; T694-F698 HydrophobicContact CG2-CE2 3.94Å; T694-F698 WeakPolarHBondContact O-CD2 3.42Å; T694-F698 PolarHBondContact O-N 3.01Å; T695-F698 PolarHBondContact O-N 2.95Å; T695-F698 VanDerWaalsContact O-N 3.15Å; A696-F698 PolarHBondContact O-N 3.17Å; F698-Y706 HydrophobicContact CD1-CD1 4.43Å; F698-Y706 HydrophobicContact CD1-CG 4.41Å; F698-Y706 AromaticContact CE1-CD1 3.94Å; F698-Y706 HydrophobicContact CE1-CD1 3.94Å; F698-Y706 HydrophobicContact CE1-CG 4.31Å; F698-M709 HydrophobicContact CD1-CB 4.26Å; F698-M709 HydrophobicContact CE1-CB 4.46Å; F698-M709 HydrophobicContact CE1-CE 3.97Å; F698-M709 HydrophobicContact CE1-SD 4.03Å; F698-M709 HydrophobicContact CZ-CE 4.29Å; F698-W710 HydrophobicContact CB-CB 4.1Å; F698-W710 HydrophobicContact CB-CE3 4.28Å; F698-W710 VanDerWaalsContact O-CB 3.3Å; F698-W710 WeakPolarHBondContact O-CB 3.19Å; F698-M713 HydrophobicContact CB-CE 3.7Å; F698-M713 HydrophobicContact CD1-CE 4.07Å; F698-M713 HydrophobicContact CD2-CE 3.74Å; F698-M713 HydrophobicContact CE2-CE 4.42Å; F698-M713 HydrophobicContact CG-CE 3.56Å; F698-L739 HydrophobicContact CD2-CD1 4.47Å; F698-L739 HydrophobicContact CE1-CD1 4.45Å; F698-L739 HydrophobicContact CE2-CB 4.16Å; F698-L739 HydrophobicContact CE2-CD1 3.74Å; F698-L739 HydrophobicContact CE2-CG 4.39Å; F698-L739 HydrophobicContact CZ-CD1 3.74Å; F698-L739 HydrophobicContact CZ-CD2 4.19Å; F698-L739 HydrophobicContact CZ-CG 4.37Å; F698-L762 HydrophobicContact CZ-CD1 4.08Å
699E90.5Very high89.9Confident114 Ų11459.4 Ų59.453%0.53331%0.309SS..Hα-helixtrans-64.5-44.2177.9-179165.6-153.500112.9T695 A696 W710T695-E699 PolarHBondContact O-N 2.83Å; A696-E699 PolarHBondContact O-N 2.85Å; E699-W710 HydrophobicContact CB-CD2 3.98Å; E699-W710 HydrophobicContact CB-CE3 4.45Å; E699-W710 HydrophobicContact CB-CG 4.44Å; E699-W710 HydrophobicContact CB-CH2 4.27Å; E699-W710 HydrophobicContact CB-CZ2 3.76Å; E699-W710 HydrophobicContact CG-CZ2 3.74Å
700E88.8Confident90.2Very high122 Ų12259 Ų5957%0.5730%0.304SS*.Hα-helixtrans-91-9.4-174.7-65.7168.6-173.100113.4A696 N702A696-E700 WeakPolarHBondContact O-CB 3.49Å; A696-E700 WeakPolarHBondContact O-CG 3.24Å; A696-E700 PolarHBondContact O-N 3.48Å; E700-N702 PolarHBondContact O-N 2.83Å
701S90.2Very high90.5Very high21 Ų2158.2 Ų58.215%0.14730%0.301CS..  trans-65.2129.5-175.7-166.10000112.7F697 F703 Y706F697-S701 VanDerWaalsContact O-CB 3.25Å; F697-S701 WeakPolarHBondContact O-CB 3.22Å; F697-S701 PolarHBondContact O-N 3.29Å; F697-S701 VanDerWaalsContact O-N 3.12Å; S701-F703 VanDerWaalsContact C-N 3.29Å; S701-F703 PolarHBondContact OG-N 2.83Å; S701-Y706 WeakPolarHBondContact OG-CD2 3.37Å
702N89.5Confident91.1Very high158 Ų15858.8 Ų58.885%0.84529%0.294SS*.  trans-82.2-5.1169.2-78.3-34.1000113.6E700E700-N702 PolarHBondContact O-N 2.83Å
703F91.3Very high91.4Very high112 Ų11257.8 Ų57.849%0.49128%0.283SS..SBendtrans-78.7129.1-179.9-167.9-110.9000110.9S701 T705 Y706 K707S701-F703 VanDerWaalsContact C-N 3.29Å; S701-F703 PolarHBondContact OG-N 2.83Å; F703-T705 VanDerWaalsContact C-N 3.31Å; F703-T705 WeakPolarHBondContact CE1-OG1 3.3Å; F703-T705 PolarHBondContact O-N 2.84Å; F703-Y706 HydrophobicContact CB-CD2 3.71Å; F703-Y706 HydrophobicContact CB-CE2 4.3Å; F703-Y706 HydrophobicContact CB-CG 4.36Å; F703-Y706 HydrophobicContact CD1-CD1 4.41Å; F703-Y706 AromaticContact CD1-CD2 3.74Å; F703-Y706 HydrophobicContact CD1-CD2 3.74Å; F703-Y706 HydrophobicContact CD1-CE1 4.48Å; F703-Y706 AromaticContact CD1-CE2 3.84Å; F703-Y706 HydrophobicContact CD1-CE2 3.84Å; F703-Y706 HydrophobicContact CD1-CG 4.04Å; F703-Y706 HydrophobicContact CG-CD2 4.12Å; F703-Y706 HydrophobicContact CG-CE2 4.33Å; F703-Y706 PolarHBondContact O-N 2.94Å; F703-Y706 VanDerWaalsContact O-N 3.13Å; F703-K707 WeakPolarHBondContact O-CB 3.5Å; F703-K707 PolarHBondContact O-N 3.33Å
704S91.8Very high91.5Very high91 Ų9160.1 Ų60.164%0.63630%0.3SS*.Hα-helixtrans-56.4-40.9-170.265.10000113.8R708S704-R708 WeakPolarHBondContact O-CB 3.47Å; S704-R708 PolarHBondContact O-N 2.78Å
705T92Very high91.3Very high8 Ų863.7 Ų63.75%0.04933%0.325CS..Hα-helixtrans-62.9-49.1177.2-49.70000111.9E676 A679 F703 R708 M709E676-T705 VanDerWaalsContact OE2-CB 3.31Å; E676-T705 WeakPolarHBondContact OE2-CB 3.49Å; E676-T705 WeakPolarHBondContact OE2-CG2 3.37Å; E676-T705 PolarHBondContact OE2-OG1 3.12Å; A679-T705 HydrophobicContact CB-CG2 3.65Å; F703-T705 VanDerWaalsContact C-N 3.31Å; F703-T705 WeakPolarHBondContact CE1-OG1 3.3Å; F703-T705 PolarHBondContact O-N 2.84Å; T705-R708 WeakPolarHBondContact O-CB 3.49Å; T705-R708 PolarHBondContact O-N 3.15Å; T705-M709 HydrophobicContact CG2-SD 4.44Å; T705-M709 WeakPolarHBondContact O-CG 3.09Å; T705-M709 PolarHBondContact O-N 3.23Å
706Y94Very high91.1Very high39 Ų3968.4 Ų68.415%0.15335%0.347CS..Hα-helixtrans-70.2-36.6-177.3-58-30.3000111.8A675 F697 F698 S701 F703 R708 M709 W710 L762A675-Y706 HydrophobicContact CB-CE1 4.44Å; F697-Y706 AromaticContact CE1-CD2 3.87Å; F697-Y706 HydrophobicContact CE1-CD2 3.87Å; F697-Y706 HydrophobicContact CE1-CE2 4.13Å; F697-Y706 HydrophobicContact CE1-CG 4.11Å; F697-Y706 AromaticContact CZ-CD2 3.67Å; F697-Y706 HydrophobicContact CZ-CD2 3.67Å; F697-Y706 AromaticContact CZ-CE2 3.66Å; F697-Y706 HydrophobicContact CZ-CE2 3.66Å; F697-Y706 HydrophobicContact CZ-CG 4.37Å; F698-Y706 HydrophobicContact CD1-CD1 4.43Å; F698-Y706 HydrophobicContact CD1-CG 4.41Å; F698-Y706 AromaticContact CE1-CD1 3.94Å; F698-Y706 HydrophobicContact CE1-CD1 3.94Å; F698-Y706 HydrophobicContact CE1-CG 4.31Å; S701-Y706 WeakPolarHBondContact OG-CD2 3.37Å; F703-Y706 HydrophobicContact CB-CD2 3.71Å; F703-Y706 HydrophobicContact CB-CE2 4.3Å; F703-Y706 HydrophobicContact CB-CG 4.36Å; F703-Y706 HydrophobicContact CD1-CD1 4.41Å; F703-Y706 AromaticContact CD1-CD2 3.74Å; F703-Y706 HydrophobicContact CD1-CD2 3.74Å; F703-Y706 HydrophobicContact CD1-CE1 4.48Å; F703-Y706 AromaticContact CD1-CE2 3.84Å; F703-Y706 HydrophobicContact CD1-CE2 3.84Å; F703-Y706 HydrophobicContact CD1-CG 4.04Å; F703-Y706 HydrophobicContact CG-CD2 4.12Å; F703-Y706 HydrophobicContact CG-CE2 4.33Å; F703-Y706 PolarHBondContact O-N 2.94Å; F703-Y706 VanDerWaalsContact O-N 3.13Å; Y706-R708 VanDerWaalsContact C-N 3.34Å; Y706-R708 PolarHBondContact O-N 2.9Å; Y706-M709 HydrophobicContact CD1-SD 4.15Å; Y706-M709 WeakPolarHBondContact O-CB 2.87Å; Y706-M709 PolarHBondContact O-N 3.26Å; Y706-W710 PolarHBondContact O-N 3.39Å; Y706-L762 HydrophobicContact CE1-CB 4.48Å; Y706-L762 PolarHBondContact OH-O 2.78Å; Y706-L762 VanDerWaalsContact OH-O 3.05Å
707K91.7Very high90.6Very high110 Ų11076.8 Ų76.848%0.47838%0.378SS..Hα-helixtrans-61.7-41.2171.9-171.5170.1-174.9168.50112F703 W710 Q711F703-K707 WeakPolarHBondContact O-CB 3.5Å; F703-K707 PolarHBondContact O-N 3.33Å; K707-W710 PolarHBondContact O-N 3.08Å; K707-Q711 WeakPolarHBondContact O-CG 3.33Å; K707-Q711 PolarHBondContact O-N 3.27Å
708R91.3Very high90.2Very high126 Ų12677 Ų7748%0.47539%0.392SS..Hα-helixtrans-64.9-41.3174.1-177.7176.3176.6172.7-2.8111.7A679 S704 T705 Y706 W710 Q711 F712A679-R708 VanDerWaalsContact O-CZ 3.23Å; A679-R708 PolarHBondContact O-NE 2.9Å; A679-R708 PolarHBondContact O-NH2 2.64Å; S704-R708 WeakPolarHBondContact O-CB 3.47Å; S704-R708 PolarHBondContact O-N 2.78Å; T705-R708 WeakPolarHBondContact O-CB 3.49Å; T705-R708 PolarHBondContact O-N 3.15Å; Y706-R708 VanDerWaalsContact C-N 3.34Å; Y706-R708 PolarHBondContact O-N 2.9Å; R708-W710 VanDerWaalsContact C-N 3.34Å; R708-Q711 PolarHBondContact O-N 3.43Å; R708-F712 PolarHBondContact O-N 3.13Å
709M93Very high89.9Confident0 Ų077 Ų770%039%0.392CS..Hα-helixtrans-61.5-42.2174.2-69.8176.672.100111.6A675 A679 Y686 F698 T705 Y706 F712 M713 L739A675-M709 HydrophobicContact CB-CE 4.49Å; A675-M709 HydrophobicContact CB-SD 4.12Å; A679-M709 HydrophobicContact CB-CG 3.81Å; A679-M709 HydrophobicContact CB-SD 4.45Å; Y686-M709 HydrophobicContact CD2-CE 4.06Å; Y686-M709 HydrophobicContact CE2-CB 3.77Å; Y686-M709 HydrophobicContact CE2-CE 3.99Å; Y686-M709 HydrophobicContact CE2-CG 3.88Å; F698-M709 HydrophobicContact CD1-CB 4.26Å; F698-M709 HydrophobicContact CE1-CB 4.46Å; F698-M709 HydrophobicContact CE1-CE 3.97Å; F698-M709 HydrophobicContact CE1-SD 4.03Å; F698-M709 HydrophobicContact CZ-CE 4.29Å; T705-M709 HydrophobicContact CG2-SD 4.44Å; T705-M709 WeakPolarHBondContact O-CG 3.09Å; T705-M709 PolarHBondContact O-N 3.23Å; Y706-M709 HydrophobicContact CD1-SD 4.15Å; Y706-M709 WeakPolarHBondContact O-CB 2.87Å; Y706-M709 PolarHBondContact O-N 3.26Å; M709-F712 WeakPolarHBondContact O-CB 3.34Å; M709-F712 PolarHBondContact O-N 2.98Å; M709-M713 HydrophobicContact CB-CE 4.36Å; M709-M713 WeakPolarHBondContact O-CG 3.12Å; M709-M713 PolarHBondContact O-N 2.9Å; M709-L739 HydrophobicContact CE-CD1 3.7Å; M709-L739 HydrophobicContact CE-CD2 4.09Å
710W93.9Very high89.9Confident46 Ų4673.7 Ų73.717%0.17438%0.377CS..Hα-helixtrans-61.9-45.9175.2177.3-124.3000112.8T695 F698 E699 Y706 K707 R708 F712 M713 S714T695-W710 HydrophobicContact CG2-CH2 3.81Å; T695-W710 HydrophobicContact CG2-CZ3 3.56Å; F698-W710 HydrophobicContact CB-CB 4.1Å; F698-W710 HydrophobicContact CB-CE3 4.28Å; F698-W710 VanDerWaalsContact O-CB 3.3Å; F698-W710 WeakPolarHBondContact O-CB 3.19Å; E699-W710 HydrophobicContact CB-CD2 3.98Å; E699-W710 HydrophobicContact CB-CE3 4.45Å; E699-W710 HydrophobicContact CB-CG 4.44Å; E699-W710 HydrophobicContact CB-CH2 4.27Å; E699-W710 HydrophobicContact CB-CZ2 3.76Å; E699-W710 HydrophobicContact CG-CZ2 3.74Å; Y706-W710 PolarHBondContact O-N 3.39Å; K707-W710 PolarHBondContact O-N 3.08Å; R708-W710 VanDerWaalsContact C-N 3.34Å; W710-F712 PolarHBondContact O-N 2.98Å; W710-M713 HydrophobicContact CE3-CB 4.47Å; W710-M713 HydrophobicContact CE3-CE 4.25Å; W710-M713 PolarHBondContact O-N 3.39Å; W710-S714 WeakPolarHBondContact O-CB 3.38Å; W710-S714 PolarHBondContact O-N 2.71Å; W710-S714 PolarHBondContact O-OG 3.26Å
711Q91.7Very high89.9Confident110 Ų11068.8 Ų68.851%0.51436%0.355SS..Hα-helixtrans-57.8-39.2175.6-72.7172.9-1600111.6K707 R708 S714 S715K707-Q711 WeakPolarHBondContact O-CG 3.33Å; K707-Q711 PolarHBondContact O-N 3.27Å; R708-Q711 PolarHBondContact O-N 3.43Å; Q711-S714 WeakPolarHBondContact CA-OG 3.41Å; Q711-S714 PolarHBondContact O-OG 2.93Å; Q711-S715 WeakPolarHBondContact O-CB 3.49Å; Q711-S715 PolarHBondContact O-N 3.23Å; Q711-S715 PolarHBondContact O-OG 3.2Å
712F92Very high89.7Confident44 Ų4473.5 Ų73.519%0.19338%0.378CS..Hα-helixtrans-66.8-47.4174.7-178-96.9000112.4T682 Y686 R708 M709 W710 S714 S715 Q716 L719T682-F712 HydrophobicContact CG2-CE2 4.32Å; Y686-F712 HydrophobicContact CD1-CD1 4.15Å; Y686-F712 AromaticContact CD1-CE1 3.95Å; Y686-F712 HydrophobicContact CD1-CE1 3.95Å; Y686-F712 HydrophobicContact CD2-CD1 4.11Å; Y686-F712 AromaticContact CE1-CD1 3.61Å; Y686-F712 HydrophobicContact CE1-CD1 3.61Å; Y686-F712 AromaticContact CE1-CE1 3.71Å; Y686-F712 HydrophobicContact CE1-CE1 3.71Å; Y686-F712 HydrophobicContact CE1-CG 4.29Å; Y686-F712 HydrophobicContact CE1-CZ 4.47Å; Y686-F712 HydrophobicContact CE2-CB 4.29Å; Y686-F712 AromaticContact CE2-CD1 3.56Å; Y686-F712 HydrophobicContact CE2-CD1 3.56Å; Y686-F712 HydrophobicContact CE2-CE1 4.31Å; Y686-F712 HydrophobicContact CE2-CG 4.28Å; Y686-F712 HydrophobicContact CG-CD1 4.38Å; Y686-F712 HydrophobicContact CG-CE1 4.37Å; Y686-F712 AromaticContact CZ-CD1 3.29Å; Y686-F712 AromaticContact CZ-CE1 3.92Å; Y686-F712 AromaticContact CZ-CG 3.79Å; Y686-F712 WeakPolarHBondContact OH-CB 3.45Å; R708-F712 PolarHBondContact O-N 3.13Å; M709-F712 WeakPolarHBondContact O-CB 3.34Å; M709-F712 PolarHBondContact O-N 2.98Å; W710-F712 PolarHBondContact O-N 2.98Å; F712-S714 PolarHBondContact O-N 3.04Å; F712-S715 PolarHBondContact O-OG 2.53Å; F712-S715 VanDerWaalsContact O-OG 3.13Å; F712-Q716 PolarHBondContact O-N 2.8Å; F712-L719 HydrophobicContact CD1-CD1 3.81Å; F712-L719 HydrophobicContact CE1-CD1 3.55Å; F712-L719 HydrophobicContact CZ-CD1 4.27Å
713M92.7Very high89.5Confident2 Ų269.7 Ų69.71%0.0136%0.358CS..Hα-helixtrans-65.6-37-179.5-70.8-173.8-68.400113.3Y686 G687 F698 M709 W710 L720 L739Y686-M713 HydrophobicContact CD2-CG 3.85Å; Y686-M713 HydrophobicContact CD2-SD 4.12Å; Y686-M713 HydrophobicContact CE2-CG 3.96Å; G687-M713 VanDerWaalsContact CA-SD 3.6Å; F698-M713 HydrophobicContact CB-CE 3.7Å; F698-M713 HydrophobicContact CD1-CE 4.07Å; F698-M713 HydrophobicContact CD2-CE 3.74Å; F698-M713 HydrophobicContact CE2-CE 4.42Å; F698-M713 HydrophobicContact CG-CE 3.56Å; M709-M713 HydrophobicContact CB-CE 4.36Å; M709-M713 WeakPolarHBondContact O-CG 3.12Å; M709-M713 PolarHBondContact O-N 2.9Å; W710-M713 HydrophobicContact CE3-CB 4.47Å; W710-M713 HydrophobicContact CE3-CE 4.25Å; W710-M713 PolarHBondContact O-N 3.39Å; M713-L720 HydrophobicContact CB-CD2 4.44Å; M713-L739 HydrophobicContact CE-CD1 4.18Å; M713-L739 HydrophobicContact SD-CD1 3.72Å
714S89.4Confident89.5Confident65 Ų6564.8 Ų64.846%0.45534%0.337SS..Hα-helixtrans-80.4-34.2-179.557.10000113.3W710 Q711 F712 Q716W710-S714 WeakPolarHBondContact O-CB 3.38Å; W710-S714 PolarHBondContact O-N 2.71Å; W710-S714 PolarHBondContact O-OG 3.26Å; Q711-S714 WeakPolarHBondContact CA-OG 3.41Å; Q711-S714 PolarHBondContact O-OG 2.93Å; F712-S714 PolarHBondContact O-N 3.04Å; S714-Q716 VanDerWaalsContact C-N 3.34Å; S714-Q716 PolarHBondContact O-N 3.3Å
715S87.8Confident89.4Confident89 Ų8963.6 Ų63.662%0.62233%0.326SS*.Hα-helixtrans-70.6-28-179.558.80000113.6Q711 F712Q711-S715 WeakPolarHBondContact O-CB 3.49Å; Q711-S715 PolarHBondContact O-N 3.23Å; Q711-S715 PolarHBondContact O-OG 3.2Å; F712-S715 PolarHBondContact O-OG 2.53Å; F712-S715 VanDerWaalsContact O-OG 3.13Å
716Q85.4Confident89.4Confident107 Ų10768.6 Ų68.650%0.535%0.349SS..SBendtrans-108.4118.7-173.8-174.570.9-3600112.6F712 S714 G718 L719F712-Q716 PolarHBondContact O-N 2.8Å; S714-Q716 VanDerWaalsContact C-N 3.34Å; S714-Q716 PolarHBondContact O-N 3.3Å; Q716-G718 PolarHBondContact O-N 3.23Å; Q716-L719 HydrophobicContact CB-CD1 3.63Å; Q716-L719 HydrophobicContact CB-CG 4.03Å; Q716-L719 HydrophobicContact CG-CD1 4.02Å; Q716-L719 HydrophobicContact CG-CG 4.02Å
717K80Confident89.3Confident205 Ų20566.8 Ų66.889%0.89134%0.342SS*.THydrogen-bonded Turntrans-63.1136.2-179.8-72.3-172.4178.4-177.60111.8
718G83.5Confident89.4Confident47 Ų4762 Ų6249%0.48532%0.322SS..THydrogen-bonded Turntrans80.215.2175.300000114.8Q716 M721 R730Q716-G718 PolarHBondContact O-N 3.23Å; G718-M721 WeakPolarHBondContact O-CE 3.36Å; G718-R730 PolarHBondContact O-NH1 2.79Å
719L87.8Confident89.5Confident2 Ų262 Ų621%0.0133%0.325CS..  trans-80.2-34.1166.9-68.6-177000112.1K685 F712 Q716 M721 Y736K685-L719 HydrophobicContact CB-CD2 3.8Å; K685-L719 HydrophobicContact CD-CD2 4.23Å; K685-L719 HydrophobicContact CG-CD2 4.24Å; F712-L719 HydrophobicContact CD1-CD1 3.81Å; F712-L719 HydrophobicContact CE1-CD1 3.55Å; F712-L719 HydrophobicContact CZ-CD1 4.27Å; Q716-L719 HydrophobicContact CB-CD1 3.63Å; Q716-L719 HydrophobicContact CB-CG 4.03Å; Q716-L719 HydrophobicContact CG-CD1 4.02Å; Q716-L719 HydrophobicContact CG-CG 4.02Å; L719-M721 WeakPolarHBondContact O-CE 3.04Å; L719-Y736 HydrophobicContact CD2-CE2 4.29Å; L719-Y736 PolarHBondContact O-OH 2.52Å
720L90Very high89.5Confident43 Ų4364.4 Ų64.423%0.22533%0.334CS..SBendtrans-79.6129.6174.3-58.7177000110.7S688 Q690 M713S688-L720 WeakPolarHBondContact O-CA 3.32Å; Q690-L720 HydrophobicContact CB-CB 4.2Å; M713-L720 HydrophobicContact CB-CD2 4.44Å
721M89.6Confident89.5Confident20 Ų2062.2 Ų62.210%0.09933%0.326CS..BIsolated β-bridgetrans-102.1146.4-173.4-58.4-71.191.900111.6S688 I689 Q690 G718 L719 A727 Y736 F738S688-M721 PolarHBondContact O-N 3.08Å; I689-M721 CarbonylContact C-O 3.5Å; I689-M721 VanDerWaalsContact CA-O 3.27Å; I689-M721 WeakPolarHBondContact CA-O 3.48Å; Q690-M721 PolarHBondContact N-O 3.43Å; G718-M721 WeakPolarHBondContact O-CE 3.36Å; L719-M721 WeakPolarHBondContact O-CE 3.04Å; M721-A727 HydrophobicContact CB-CB 3.94Å; M721-A727 HydrophobicContact CG-CB 3.71Å; M721-Y736 HydrophobicContact CG-CE1 4.43Å; M721-F738 HydrophobicContact CB-CE2 4.37Å; M721-F738 HydrophobicContact CG-CE2 4.3Å
722N85.6Confident89.4Confident119 Ų11959.7 Ų59.764%0.63631%0.313SS*.SBendtrans-82-31178.6-69.2-16.7000113.3Q690Q690-N722 PolarHBondContact OE1-OD1 2.73Å; Q690-N722 VanDerWaalsContact OE1-OD1 3.05Å
723N86Confident89.3Confident79 Ų7967.9 Ų67.942%0.42234%0.342SS..  trans-136.8134.3-174.9-171.2-31000110.2V725 E726 A727N723-V725 PolarHBondContact O-N 2.59Å; N723-V725 PolarHBondContact OD1-N 3.41Å; N723-E726 HydrophobicContact CB-CB 4.5Å; N723-E726 HydrophobicContact CB-CG 4.27Å; N723-E726 PolarHBondContact O-N 2.89Å; N723-E726 VanDerWaalsContact O-N 3.14Å; N723-A727 PolarHBondContact O-N 2.8Å
724T89.8Confident89.2Confident9 Ų971.8 Ų71.86%0.05536%0.361CS..Hα-helixtrans-52-42.3175.2-42.80000112I689 E726 A727 I728 F738 M744 Y748I689-T724 WeakPolarHBondContact CD1-OG1 3.22Å; T724-E726 VanDerWaalsContact C-N 3.32Å; T724-E726 PolarHBondContact O-N 3.04Å; T724-A727 WeakPolarHBondContact O-CB 3.28Å; T724-A727 PolarHBondContact O-N 2.99Å; T724-A727 VanDerWaalsContact O-N 3.17Å; T724-I728 WeakPolarHBondContact O-CG1 3.5Å; T724-I728 PolarHBondContact O-N 3.27Å; T724-F738 HydrophobicContact CG2-CE1 4.05Å; T724-M744 HydrophobicContact CG2-CG 4Å; T724-Y748 HydrophobicContact CG2-CE2 3.59Å
725V90.5Very high89.1Confident66 Ų6672.8 Ų72.840%0.436%0.358SS..Hα-helixtrans-64.5-37.3-178.3179.90000111.9N723 K729N723-V725 PolarHBondContact O-N 2.59Å; N723-V725 PolarHBondContact OD1-N 3.41Å; V725-K729 WeakPolarHBondContact O-CG 3.37Å; V725-K729 PolarHBondContact O-N 3.14Å
726E90.9Very high89.3Confident113 Ų11368.5 Ų68.553%0.52833%0.329SS..Hα-helixtrans-70.8-39.3175.2-67.1-175.216400111.3N723 T724 I728 K729 R730N723-E726 HydrophobicContact CB-CB 4.5Å; N723-E726 HydrophobicContact CB-CG 4.27Å; N723-E726 PolarHBondContact O-N 2.89Å; N723-E726 VanDerWaalsContact O-N 3.14Å; T724-E726 VanDerWaalsContact C-N 3.32Å; T724-E726 PolarHBondContact O-N 3.04Å; E726-I728 PolarHBondContact O-N 3.32Å; E726-K729 PolarHBondContact O-N 2.6Å; E726-R730 PolarHBondContact O-N 3.32Å
727A92.3Very high89.7Confident0 Ų063.4 Ų63.40%031%0.305CS..Hα-helixtrans-59.3-45.917500000111.7M721 N723 T724 K729 R730 V731 F738M721-A727 HydrophobicContact CB-CB 3.94Å; M721-A727 HydrophobicContact CG-CB 3.71Å; N723-A727 PolarHBondContact O-N 2.8Å; T724-A727 WeakPolarHBondContact O-CB 3.28Å; T724-A727 PolarHBondContact O-N 2.99Å; T724-A727 VanDerWaalsContact O-N 3.17Å; A727-K729 PolarHBondContact O-N 3.14Å; A727-R730 WeakPolarHBondContact O-CA 3.48Å; A727-R730 WeakPolarHBondContact O-CB 3.37Å; A727-R730 PolarHBondContact O-N 3.13Å; A727-R730 VanDerWaalsContact O-N 3.08Å; A727-V731 WeakPolarHBondContact O-CG2 3.34Å; A727-V731 PolarHBondContact O-N 3.01Å; A727-F738 HydrophobicContact CB-CD1 3.89Å; A727-F738 HydrophobicContact CB-CD2 3.62Å; A727-F738 HydrophobicContact CB-CE1 3.7Å; A727-F738 HydrophobicContact CB-CE2 3.4Å; A727-F738 HydrophobicContact CB-CG 3.84Å; A727-F738 HydrophobicContact CB-CZ 3.43Å; A727-F738 VanDerWaalsContact CB-CZ 3.43Å
728I93.5Very high90.5Very high11 Ų1153.7 Ų53.76%0.05626%0.262CS..Hα-helixtrans-61.4-44.2176.8-64.2-55000111.6I545 T724 E726 R730 V731 K732 F738 Y748 L755I545-I728 HydrophobicContact CD1-CD1 3.84Å; I545-I728 HydrophobicContact CG2-CD1 4.04Å; T724-I728 WeakPolarHBondContact O-CG1 3.5Å; T724-I728 PolarHBondContact O-N 3.27Å; E726-I728 PolarHBondContact O-N 3.32Å; I728-R730 PolarHBondContact O-N 3.32Å; I728-V731 PolarHBondContact O-N 2.88Å; I728-K732 PolarHBondContact O-N 3.47Å; I728-F738 HydrophobicContact CD1-CD1 4.44Å; I728-Y748 HydrophobicContact CD1-CD2 3.99Å; I728-Y748 HydrophobicContact CD1-CE2 4.44Å; I728-Y748 HydrophobicContact CD1-CG 4.05Å; I728-Y748 HydrophobicContact CG1-CD1 3.96Å; I728-Y748 HydrophobicContact CG1-CD2 3.95Å; I728-Y748 HydrophobicContact CG1-CE1 4.01Å; I728-Y748 HydrophobicContact CG1-CE2 4.01Å; I728-Y748 HydrophobicContact CG1-CG 3.94Å; I728-Y748 HydrophobicContact CG2-CD1 4.35Å; I728-L755 HydrophobicContact CD1-CD1 4.46Å; I728-L755 HydrophobicContact CG2-CD1 3.69Å
729K93.4Very high91Very high126 Ų12651.5 Ų51.555%0.54824%0.239SC..Hα-helixtrans-59.4-35.1174.6-72.8173.1-177.5175.10112V725 E726 A727 R733V725-K729 WeakPolarHBondContact O-CG 3.37Å; V725-K729 PolarHBondContact O-N 3.14Å; E726-K729 PolarHBondContact O-N 2.6Å; A727-K729 PolarHBondContact O-N 3.14Å; K729-R733 WeakPolarHBondContact O-CG 3.45Å; K729-R733 PolarHBondContact O-N 3.22Å
730R93.3Very high91.3Very high50 Ų5051.7 Ų51.719%0.18924%0.24CC..Hα-helixtrans-71.7-42.9177.2-171.5179.3-174.1169.12.9112.7G718 E726 A727 I728 K732 R733 E734 Y736G718-R730 PolarHBondContact O-NH1 2.79Å; E726-R730 PolarHBondContact O-N 3.32Å; A727-R730 WeakPolarHBondContact O-CA 3.48Å; A727-R730 WeakPolarHBondContact O-CB 3.37Å; A727-R730 PolarHBondContact O-N 3.13Å; A727-R730 VanDerWaalsContact O-N 3.08Å; I728-R730 PolarHBondContact O-N 3.32Å; R730-K732 PolarHBondContact O-N 3.22Å; R730-R733 PolarHBondContact O-N 2.77Å; R730-R733 VanDerWaalsContact O-N 3.12Å; R730-E734 HydrophobicContact CG-CB 4.48Å; R730-E734 HydrophobicContact CG-CG 4.4Å; R730-E734 IonicContact CZ-OE2 2.71Å; R730-E734 IonicContact NE-OE2 2.8Å; R730-E734 PolarHBondContact NE-OE2 2.7Å; R730-E734 IonicContact NH2-OE2 2.78Å; R730-E734 PolarHBondContact NH2-OE2 3.32Å; R730-E734 VanDerWaalsContact NH2-OE2 3.14Å; R730-E734 PolarHBondContact O-N 3.39Å; R730-Y736 HydrophobicContact CB-CD1 4.3Å; R730-Y736 HydrophobicContact CG-CD1 4Å; R730-Y736 HydrophobicContact CG-CG 4.18Å
731V93.8Very high91.6Very high0 Ų050.7 Ų50.70%024%0.235CC..Hα-helixtrans-53.4-39.4175.4171.30000110.9I545 A727 I728 Y736 F738 L755I545-V731 HydrophobicContact CG2-CG2 4.39Å; A727-V731 WeakPolarHBondContact O-CG2 3.34Å; A727-V731 PolarHBondContact O-N 3.01Å; I728-V731 PolarHBondContact O-N 2.88Å; V731-Y736 HydrophobicContact CG2-CD1 3.8Å; V731-Y736 HydrophobicContact CG2-CE1 4.33Å; V731-F738 HydrophobicContact CG2-CB 3.51Å; V731-L755 HydrophobicContact CG1-CD2 3.86Å
732K90.9Very high91.8Very high57 Ų5750.5 Ų50.525%0.24824%0.236CC..Hα-helixtrans-68.9-44.9176.4-69.5-169.9151.5-152.80114.1I728 R730 D752 E754 L755I728-K732 PolarHBondContact O-N 3.47Å; R730-K732 PolarHBondContact O-N 3.22Å; K732-D752 WeakPolarHBondContact CE-OD1 3.33Å; K732-D752 WeakPolarHBondContact CE-OD2 3.24Å; K732-D752 IonicContact NZ-OD1 3.86Å; K732-D752 PolarHBondContact NZ-OD1 3.48Å; K732-D752 IonicContact NZ-OD2 3.12Å; K732-D752 PolarHBondContact NZ-OD2 3.17Å; K732-E754 WeakPolarHBondContact CD-OE2 3.35Å; K732-E754 WeakPolarHBondContact CE-OE2 3.46Å; K732-E754 IonicContact NZ-OE1 2.9Å; K732-E754 PolarHBondContact NZ-OE1 3.24Å; K732-E754 IonicContact NZ-OE2 3.39Å; K732-E754 PolarHBondContact NZ-OE2 2.8Å; K732-L755 HydrophobicContact CG-CD2 4.03Å
733R90Very high92.2Very high215 Ų21544.9 Ų44.981%0.81121%0.206SC*.Hα-helixtrans-77.6-35.6-172.6-72178.4178.8-157-1113.2K729 R730K729-R733 WeakPolarHBondContact O-CG 3.45Å; K729-R733 PolarHBondContact O-N 3.22Å; R730-R733 PolarHBondContact O-N 2.77Å; R730-R733 VanDerWaalsContact O-N 3.12Å
734E89.2Confident92.5Very high84 Ų8441.6 Ų41.639%0.39319%0.188SC..SBendtrans-114.7175.8-170.8-63.6-177.8-174.200111.8K547 R730 Y736K547-E734 PolarHBondContact NZ-O 2.87Å; R730-E734 HydrophobicContact CG-CB 4.48Å; R730-E734 HydrophobicContact CG-CG 4.4Å; R730-E734 IonicContact CZ-OE2 2.71Å; R730-E734 IonicContact NE-OE2 2.8Å; R730-E734 PolarHBondContact NE-OE2 2.7Å; R730-E734 IonicContact NH2-OE2 2.78Å; R730-E734 PolarHBondContact NH2-OE2 3.32Å; R730-E734 VanDerWaalsContact NH2-OE2 3.14Å; R730-E734 PolarHBondContact O-N 3.39Å; E734-Y736 PolarHBondContact O-N 2.99Å
735E87.4Confident92.7Very high86 Ų8641.1 Ų41.140%0.40219%0.185SC..SBendtrans-85.168.6162.3-65.7-175.5155.100108.3K683 K685K683-E735 VanDerWaalsContact CE-OE2 3.29Å; K683-E735 WeakPolarHBondContact CE-OE2 3.37Å; K683-E735 IonicContact NZ-OE1 2.7Å; K683-E735 IonicContact NZ-OE2 3.67Å; K685-E735 PolarHBondContact N-O 3.2Å; K685-E735 VanDerWaalsContact N-O 3.08Å
736Y93Very high92.8Very high0 Ų039.5 Ų39.50%017%0.173CC..EExtended strand (participates in β ladder)trans-122.9125.8-177.4179.5-104.8000110.9Y546 K685 G687 L719 M721 R730 V731 E734 F738Y546-Y736 WeakPolarHBondContact CD2-O 3.36Å; K685-Y736 HydrophobicContact CB-CD2 3.9Å; K685-Y736 CarbonylContact O-C 3.42Å; K685-Y736 VanDerWaalsContact O-CA 3.27Å; K685-Y736 WeakPolarHBondContact O-CA 3.41Å; K685-Y736 WeakPolarHBondContact O-CD2 3.41Å; G687-Y736 VanDerWaalsContact C-OH 3.22Å; G687-Y736 WeakPolarHBondContact CA-OH 3.4Å; G687-Y736 PolarHBondContact N-OH 3.08Å; G687-Y736 PolarHBondContact O-OH 2.94Å; L719-Y736 HydrophobicContact CD2-CE2 4.29Å; L719-Y736 PolarHBondContact O-OH 2.52Å; M721-Y736 HydrophobicContact CG-CE1 4.43Å; R730-Y736 HydrophobicContact CB-CD1 4.3Å; R730-Y736 HydrophobicContact CG-CD1 4Å; R730-Y736 HydrophobicContact CG-CG 4.18Å; V731-Y736 HydrophobicContact CG2-CD1 3.8Å; V731-Y736 HydrophobicContact CG2-CE1 4.33Å; E734-Y736 PolarHBondContact O-N 2.99Å; Y736-F738 HydrophobicContact CD1-CB 4.41Å; Y736-F738 HydrophobicContact CE1-CB 3.85Å; Y736-F738 HydrophobicContact CE1-CD2 4Å; Y736-F738 HydrophobicContact CE1-CG 4.34Å
737A93.8Very high92.9Very high0 Ų034.7 Ų34.70%015%0.15CC..EExtended strand (participates in β ladder)trans-101.1129.5174.100000110.1I544 Y546 I672 L678 I684 K685 Y686 G687I544-A737 HydrophobicContact CG2-CB 3.97Å; Y546-A737 HydrophobicContact CD2-CB 3.85Å; Y546-A737 HydrophobicContact CE2-CB 4.46Å; I672-A737 HydrophobicContact CD1-CB 4.29Å; L678-A737 HydrophobicContact CD1-CB 4.11Å; L678-A737 HydrophobicContact CD2-CB 4.03Å; I684-A737 HydrophobicContact CG2-CB 4.06Å; K685-A737 PolarHBondContact O-N 3.48Å; Y686-A737 WeakPolarHBondContact CA-O 3.48Å; Y686-A737 VanDerWaalsContact CB-O 3.3Å; Y686-A737 WeakPolarHBondContact CB-O 3.39Å; G687-A737 PolarHBondContact N-O 3.28Å
738F95.5Very high92.9Very high0 Ų036.5 Ų36.50%016%0.157CC..EExtended strand (participates in β ladder)trans-108129.3-176-178.6-120.3000110.7I545 G687 I689 M721 T724 A727 I728 V731 Y736 L740I545-F738 HydrophobicContact CG2-CB 3.71Å; I545-F738 HydrophobicContact CG2-CD1 3.89Å; I545-F738 HydrophobicContact CG2-CG 4.31Å; I545-F738 PolarHBondContact N-O 2.83Å; I545-F738 PolarHBondContact O-N 3.19Å; G687-F738 WeakPolarHBondContact O-CA 3.49Å; G687-F738 VanDerWaalsContact O-CD2 3.25Å; G687-F738 WeakPolarHBondContact O-CD2 3.32Å; I689-F738 HydrophobicContact CD1-CZ 4.38Å; I689-F738 HydrophobicContact CG1-CE2 4.23Å; I689-F738 HydrophobicContact CG1-CZ 3.64Å; M721-F738 HydrophobicContact CB-CE2 4.37Å; M721-F738 HydrophobicContact CG-CE2 4.3Å; T724-F738 HydrophobicContact CG2-CE1 4.05Å; A727-F738 HydrophobicContact CB-CD1 3.89Å; A727-F738 HydrophobicContact CB-CD2 3.62Å; A727-F738 HydrophobicContact CB-CE1 3.7Å; A727-F738 HydrophobicContact CB-CE2 3.4Å; A727-F738 HydrophobicContact CB-CG 3.84Å; A727-F738 HydrophobicContact CB-CZ 3.43Å; A727-F738 VanDerWaalsContact CB-CZ 3.43Å; I728-F738 HydrophobicContact CD1-CD1 4.44Å; V731-F738 HydrophobicContact CG2-CB 3.51Å; Y736-F738 HydrophobicContact CD1-CB 4.41Å; Y736-F738 HydrophobicContact CE1-CB 3.85Å; Y736-F738 HydrophobicContact CE1-CD2 4Å; Y736-F738 HydrophobicContact CE1-CG 4.34Å; F738-L740 HydrophobicContact CD1-CB 3.99Å; F738-L740 HydrophobicContact CD1-CD1 3.91Å; F738-L740 HydrophobicContact CD1-CD2 4.17Å; F738-L740 HydrophobicContact CD1-CG 4.24Å; F738-L740 HydrophobicContact CE1-CB 3.71Å; F738-L740 HydrophobicContact CE1-CD1 3.82Å; F738-L740 HydrophobicContact CE1-CG 4.26Å; F738-L740 HydrophobicContact CZ-CB 4.44Å
739L95.1Very high92.7Very high1 Ų137 Ų371%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-95.1114.3-179.1-62.2163.7000108.1I542 I544 Y686 G687 T694 F698 M709 M713 L762I542-L739 HydrophobicContact CG2-CB 4.44Å; I544-L739 HydrophobicContact CG1-CD2 3.6Å; Y686-L739 HydrophobicContact CD2-CD1 4.2Å; G687-L739 PolarHBondContact O-N 2.6Å; T694-L739 HydrophobicContact CG2-CB 4.33Å; F698-L739 HydrophobicContact CD2-CD1 4.47Å; F698-L739 HydrophobicContact CE1-CD1 4.45Å; F698-L739 HydrophobicContact CE2-CB 4.16Å; F698-L739 HydrophobicContact CE2-CD1 3.74Å; F698-L739 HydrophobicContact CE2-CG 4.39Å; F698-L739 HydrophobicContact CZ-CD1 3.74Å; F698-L739 HydrophobicContact CZ-CD2 4.19Å; F698-L739 HydrophobicContact CZ-CG 4.37Å; M709-L739 HydrophobicContact CE-CD1 3.7Å; M709-L739 HydrophobicContact CE-CD2 4.09Å; M713-L739 HydrophobicContact CE-CD1 4.18Å; M713-L739 HydrophobicContact SD-CD1 3.72Å; L739-L762 HydrophobicContact CD2-CD1 4.25Å
740L94.5Very high92.5Very high6 Ų632.8 Ų32.83%0.03114%0.143CC..EExtended strand (participates in β ladder)trans-148.4165.6-177.379.7176.6000111.6S543 I545 F738 M744 N745S543-L740 PolarHBondContact N-O 3Å; S543-L740 PolarHBondContact O-N 3.03Å; S543-L740 PolarHBondContact OG-O 3.26Å; S543-L740 VanDerWaalsContact OG-O 3.09Å; I545-L740 HydrophobicContact CB-CD2 3.76Å; I545-L740 HydrophobicContact CG2-CD1 4.35Å; I545-L740 HydrophobicContact CG2-CD2 3.51Å; F738-L740 HydrophobicContact CD1-CB 3.99Å; F738-L740 HydrophobicContact CD1-CD1 3.91Å; F738-L740 HydrophobicContact CD1-CD2 4.17Å; F738-L740 HydrophobicContact CD1-CG 4.24Å; F738-L740 HydrophobicContact CE1-CB 3.71Å; F738-L740 HydrophobicContact CE1-CD1 3.82Å; F738-L740 HydrophobicContact CE1-CG 4.26Å; F738-L740 HydrophobicContact CZ-CB 4.44Å; L740-M744 HydrophobicContact CD1-CB 3.88Å; L740-M744 HydrophobicContact CD1-CG 3.73Å; L740-M744 HydrophobicContact CG-CB 4.35Å; L740-N745 HydrophobicContact CD2-CB 3.93Å; L740-N745 HydrophobicContact CG-CB 4.25Å
741E94.7Very high92.3Very high22 Ų2233.2 Ų33.210%0.10314%0.144CC..EExtended strand (participates in β ladder)trans-62.6137.6175.8-68.7179.5147.700111.6T522 L540 G541 S693 T743 M744 N745 Y767T522-E741 WeakPolarHBondContact CG2-OE1 3.09Å; T522-E741 PolarHBondContact OG1-OE1 2.78Å; L540-E741 HydrophobicContact CD1-CB 3.52Å; L540-E741 VanDerWaalsContact CD1-CD 3.43Å; L540-E741 HydrophobicContact CD1-CG 3.53Å; G541-E741 CarbonylContact O-C 3.51Å; S693-E741 PolarHBondContact OG-OE1 3.28Å; E741-T743 VanDerWaalsContact C-N 3.25Å; E741-T743 PolarHBondContact O-N 2.86Å; E741-M744 WeakPolarHBondContact O-CA 3.04Å; E741-M744 WeakPolarHBondContact O-CB 3.09Å; E741-M744 PolarHBondContact O-N 3.23Å; E741-N745 PolarHBondContact O-N 3.25Å; E741-Y767 VanDerWaalsContact OE2-CE1 3.28Å; E741-Y767 WeakPolarHBondContact OE2-CE1 3.28Å; E741-Y767 VanDerWaalsContact OE2-CZ 3.27Å; E741-Y767 PolarHBondContact OE2-OH 2.91Å
742S94.7Very high92.1Very high17 Ų1735.2 Ų35.212%0.11916%0.155CC..Hα-helixtrans-62.1-30.6-170.458.90000114.1G541 S543 M744 N745 E746G541-S742 PolarHBondContact N-OG 3.3Å; G541-S742 VanDerWaalsContact N-OG 3.16Å; G541-S742 VanDerWaalsContact O-CB 3.26Å; G541-S742 WeakPolarHBondContact O-CB 3.44Å; G541-S742 PolarHBondContact O-N 2.86Å; G541-S742 PolarHBondContact O-OG 3.32Å; S543-S742 WeakPolarHBondContact OG-CA 3.1Å; S742-M744 VanDerWaalsContact C-N 3.33Å; S742-N745 WeakPolarHBondContact O-CB 3.36Å; S742-N745 PolarHBondContact O-N 2.92Å; S742-E746 WeakPolarHBondContact O-CB 3.35Å; S742-E746 PolarHBondContact O-N 3.3Å
743T93.9Very high91.8Very high1 Ų135.2 Ų35.21%0.00616%0.162CC..Hα-helixtrans-61.9-43.317246.90000110.9Y441 M538 L540 E741 E746 Y747 Y767 W802Y441-T743 WeakPolarHBondContact OH-CB 3.35Å; Y441-T743 PolarHBondContact OH-OG1 2.91Å; M538-T743 HydrophobicContact CG-CG2 3.95Å; M538-T743 HydrophobicContact SD-CG2 3.39Å; M538-T743 WeakPolarHBondContact SD-CG2 3.23Å; L540-T743 HydrophobicContact CB-CG2 3.8Å; E741-T743 VanDerWaalsContact C-N 3.25Å; E741-T743 PolarHBondContact O-N 2.86Å; T743-E746 PolarHBondContact O-N 2.8Å; T743-Y747 PolarHBondContact O-N 2.82Å; T743-Y767 HydrophobicContact CG2-CE2 4.25Å; T743-Y767 PolarHBondContact OG1-OH 3Å; T743-Y767 VanDerWaalsContact OG1-OH 3.05Å; T743-W802 PolarHBondContact O-NE1 3.18Å
744M93.2Very high91.7Very high9 Ų930.3 Ų30.34%0.04415%0.148CC..Hα-helixtrans-68.9-37.9175.2-167.560.876.200111.4E438 K439 Y441 T724 L740 E741 S742 Y747 Y748E438-M744 HydrophobicContact CG-CE 3.68Å; E438-M744 WeakPolarHBondContact OE1-CE 3.31Å; K439-M744 WeakPolarHBondContact O-CE 3.5Å; Y441-M744 HydrophobicContact CE2-CE 3.86Å; T724-M744 HydrophobicContact CG2-CG 4Å; L740-M744 HydrophobicContact CD1-CB 3.88Å; L740-M744 HydrophobicContact CD1-CG 3.73Å; L740-M744 HydrophobicContact CG-CB 4.35Å; E741-M744 WeakPolarHBondContact O-CA 3.04Å; E741-M744 WeakPolarHBondContact O-CB 3.09Å; E741-M744 PolarHBondContact O-N 3.23Å; S742-M744 VanDerWaalsContact C-N 3.33Å; M744-Y747 WeakPolarHBondContact O-CB 3.37Å; M744-Y747 PolarHBondContact O-N 3.2Å; M744-Y747 HydrophobicContact SD-CD1 4.33Å; M744-Y748 HydrophobicContact CG-CD2 3.9Å; M744-Y748 HydrophobicContact CG-CE2 3.59Å; M744-Y748 VanDerWaalsContact O-CD2 3.24Å; M744-Y748 WeakPolarHBondContact O-CD2 3.07Å; M744-Y748 PolarHBondContact O-N 3.4Å; M744-Y748 VanDerWaalsContact O-N 3.16Å; M744-Y748 HydrophobicContact SD-CD2 4.07Å; M744-Y748 HydrophobicContact SD-CE2 3.46Å; M744-Y748 WeakPolarHBondContact SD-CE2 3.41Å
745N93.5Very high91.8Very high0 Ų026.3 Ų26.30%013%0.13CC..Hα-helixtrans-60-48.7174.2-166.5-18.2000111.8S543 I544 I545 L740 E741 S742 Y747 Y748 T749S543-N745 VanDerWaalsContact OG-CB 3.26Å; S543-N745 WeakPolarHBondContact OG-CB 3.21Å; S543-N745 PolarHBondContact OG-ND2 3.36Å; I544-N745 PolarHBondContact O-ND2 3.16Å; I544-N745 VanDerWaalsContact O-ND2 3.12Å; I545-N745 WeakPolarHBondContact CD1-OD1 3.47Å; I545-N745 WeakPolarHBondContact CG1-OD1 3.44Å; L740-N745 HydrophobicContact CD2-CB 3.93Å; L740-N745 HydrophobicContact CG-CB 4.25Å; E741-N745 PolarHBondContact O-N 3.25Å; S742-N745 WeakPolarHBondContact O-CB 3.36Å; S742-N745 PolarHBondContact O-N 2.92Å; N745-Y747 VanDerWaalsContact C-N 3.25Å; N745-Y747 PolarHBondContact O-N 3.37Å; N745-Y748 PolarHBondContact O-N 2.95Å; N745-T749 WeakPolarHBondContact O-CB 3.45Å; N745-T749 WeakPolarHBondContact O-CG2 3.45Å; N745-T749 PolarHBondContact O-N 3.39Å; N745-T749 PolarHBondContact O-OG1 3.04Å; N745-T749 WeakPolarHBondContact OD1-CG2 3.05Å
746E92.3Very high91.9Very high31 Ų3124.2 Ų24.215%0.14512%0.12CC..Hα-helixtrans-57.3-40175-171.7177-175.600110.8S742 T743 Y748 T749 Q750 K798 R803S742-E746 WeakPolarHBondContact O-CB 3.35Å; S742-E746 PolarHBondContact O-N 3.3Å; T743-E746 PolarHBondContact O-N 2.8Å; E746-Y748 PolarHBondContact O-N 3.5Å; E746-T749 WeakPolarHBondContact CA-OG1 3.17Å; E746-T749 PolarHBondContact O-OG1 3.44Å; E746-Q750 HydrophobicContact CG-CG 4.21Å; E746-Q750 WeakPolarHBondContact O-CB 3.31Å; E746-Q750 WeakPolarHBondContact O-CG 3.48Å; E746-Q750 PolarHBondContact O-N 2.85Å; E746-K798 WeakPolarHBondContact OE2-CE 3.39Å; E746-K798 IonicContact OE2-NZ 2.79Å; E746-K798 PolarHBondContact OE2-NZ 2.95Å; E746-R803 IonicContact OE1-CZ 3.62Å; E746-R803 IonicContact OE1-NE 2.65Å; E746-R803 PolarHBondContact OE1-NE 3.44Å; E746-R803 IonicContact OE1-NH2 3.75Å; E746-R803 PolarHBondContact OE1-NH2 2.84Å
747Y93.1Very high91.7Very high12 Ų1227.9 Ų27.95%0.04714%0.137CC..Hα-helixtrans-61.5-46.6179.3177.7-101.6000112.8K439 P440 T743 M744 N745 R751K439-Y747 HydrophobicContact CB-CE1 4.12Å; P440-Y747 HydrophobicContact CB-CD2 3.82Å; P440-Y747 HydrophobicContact CB-CE2 3.53Å; P440-Y747 HydrophobicContact CG-CD2 3.48Å; P440-Y747 VanDerWaalsContact CG-CD2 3.48Å; P440-Y747 HydrophobicContact CG-CE2 3.77Å; P440-Y747 HydrophobicContact CG-CG 4.22Å; T743-Y747 PolarHBondContact O-N 2.82Å; M744-Y747 WeakPolarHBondContact O-CB 3.37Å; M744-Y747 PolarHBondContact O-N 3.2Å; M744-Y747 HydrophobicContact SD-CD1 4.33Å; N745-Y747 VanDerWaalsContact C-N 3.25Å; N745-Y747 PolarHBondContact O-N 3.37Å; Y747-R751 VanDerWaalsContact CD2-CZ 3.49Å; Y747-R751 VanDerWaalsContact CE2-NH2 3.31Å; Y747-R751 PolarHBondContact O-NH1 3.14Å
748Y92.2Very high91.4Very high38 Ų3828 Ų2815%0.14914%0.138CC..Hα-helixtrans-75.7-42.3-179.1-75-70.6000112.7T724 I728 M744 N745 E746 Q750 R751 D752T724-Y748 HydrophobicContact CG2-CE2 3.59Å; I728-Y748 HydrophobicContact CD1-CD2 3.99Å; I728-Y748 HydrophobicContact CD1-CE2 4.44Å; I728-Y748 HydrophobicContact CD1-CG 4.05Å; I728-Y748 HydrophobicContact CG1-CD1 3.96Å; I728-Y748 HydrophobicContact CG1-CD2 3.95Å; I728-Y748 HydrophobicContact CG1-CE1 4.01Å; I728-Y748 HydrophobicContact CG1-CE2 4.01Å; I728-Y748 HydrophobicContact CG1-CG 3.94Å; I728-Y748 HydrophobicContact CG2-CD1 4.35Å; M744-Y748 HydrophobicContact CG-CD2 3.9Å; M744-Y748 HydrophobicContact CG-CE2 3.59Å; M744-Y748 VanDerWaalsContact O-CD2 3.24Å; M744-Y748 WeakPolarHBondContact O-CD2 3.07Å; M744-Y748 PolarHBondContact O-N 3.4Å; M744-Y748 VanDerWaalsContact O-N 3.16Å; M744-Y748 HydrophobicContact SD-CD2 4.07Å; M744-Y748 HydrophobicContact SD-CE2 3.46Å; M744-Y748 WeakPolarHBondContact SD-CE2 3.41Å; N745-Y748 PolarHBondContact O-N 2.95Å; E746-Y748 PolarHBondContact O-N 3.5Å; Y748-Q750 VanDerWaalsContact C-N 3.28Å; Y748-Q750 PolarHBondContact O-N 3.44Å; Y748-R751 PolarHBondContact O-N 2.87Å; Y748-R751 VanDerWaalsContact O-N 3.14Å; Y748-D752 WeakPolarHBondContact O-CB 3.38Å; Y748-D752 PolarHBondContact O-N 2.87Å
749T90.2Very high91Very high21 Ų2129.8 Ų29.813%0.12916%0.156CC..Hα-helixtrans-66.6-26.8-179.151.20000113.6I545 N745 E746 R751 L755I545-T749 HydrophobicContact CD1-CG2 3.87Å; I545-T749 HydrophobicContact CG1-CG2 4.16Å; N745-T749 WeakPolarHBondContact O-CB 3.45Å; N745-T749 WeakPolarHBondContact O-CG2 3.45Å; N745-T749 PolarHBondContact O-N 3.39Å; N745-T749 PolarHBondContact O-OG1 3.04Å; N745-T749 WeakPolarHBondContact OD1-CG2 3.05Å; E746-T749 WeakPolarHBondContact CA-OG1 3.17Å; E746-T749 PolarHBondContact O-OG1 3.44Å; T749-R751 VanDerWaalsContact C-N 3.35Å; T749-L755 HydrophobicContact CG2-CB 3.99Å
750Q88.6Confident90.7Very high39 Ų3932.2 Ų32.218%0.18218%0.182CC..Hα-helixtrans-75.1-23.6174.6-69.8-67.2-2800113.4E746 Y748 R803 I807E746-Q750 HydrophobicContact CG-CG 4.21Å; E746-Q750 WeakPolarHBondContact O-CB 3.31Å; E746-Q750 WeakPolarHBondContact O-CG 3.48Å; E746-Q750 PolarHBondContact O-N 2.85Å; Y748-Q750 VanDerWaalsContact C-N 3.28Å; Y748-Q750 PolarHBondContact O-N 3.44Å; Q750-R803 HydrophobicContact CG-CG 4.28Å; Q750-I807 HydrophobicContact CB-CD1 4.29Å
751R88.9Confident90.5Very high58 Ų5836.3 Ų36.322%0.21920%0.203CC..Hα-helixtrans-97.7-25.4-179.7-77.7168-17871.73.8113.1Y747 Y748 T749 W801 W802 H805 I807Y747-R751 VanDerWaalsContact CD2-CZ 3.49Å; Y747-R751 VanDerWaalsContact CE2-NH2 3.31Å; Y747-R751 PolarHBondContact O-NH1 3.14Å; Y748-R751 PolarHBondContact O-N 2.87Å; Y748-R751 VanDerWaalsContact O-N 3.14Å; T749-R751 VanDerWaalsContact C-N 3.35Å; R751-W801 PolarHBondContact NH2-O 3.49Å; R751-W802 PolarHBondContact NH1-O 3.16Å; R751-H805 PolarHBondContact NH2-O 3.28Å; R751-I807 HydrophobicContact CG-CD1 4.18Å; R751-I807 HydrophobicContact CG-CG1 3.62Å
752D88.7Confident90.4Very high42 Ų4236.6 Ų36.623%0.22521%0.205CC..  trans-130.999.5-170.4-160.1-30.7000110.5K732 Y748 E754 L755K732-D752 WeakPolarHBondContact CE-OD1 3.33Å; K732-D752 WeakPolarHBondContact CE-OD2 3.24Å; K732-D752 IonicContact NZ-OD1 3.86Å; K732-D752 PolarHBondContact NZ-OD1 3.48Å; K732-D752 IonicContact NZ-OD2 3.12Å; K732-D752 PolarHBondContact NZ-OD2 3.17Å; Y748-D752 WeakPolarHBondContact O-CB 3.38Å; Y748-D752 PolarHBondContact O-N 2.87Å; D752-E754 PolarHBondContact O-N 3.34Å; D752-E754 PolarHBondContact OD1-N 3.2Å; D752-L755 HydrophobicContact CB-CD1 3.88Å; D752-L755 HydrophobicContact CB-CG 4.19Å; D752-L755 WeakPolarHBondContact O-CB 3.47Å; D752-L755 PolarHBondContact O-N 2.79Å
753C86.1Confident90.2Very high58 Ų5837.1 Ų37.139%0.39221%0.207SC..THydrogen-bonded Turntrans-72.6-8.7-172.7-42.90000113.3R548 L755 C811R548-C753 PolarHBondContact NE-O 3.29Å; R548-C753 PolarHBondContact NH1-O 3.16Å; R548-C753 PolarHBondContact NH2-O 3.5Å; C753-L755 PolarHBondContact O-N 3.15Å; C753-C811 WeakPolarHBondContact CA-SG 3.48Å; C753-C811 HydrophobicContact CB-CB 3.98Å; C753-C811 WeakPolarHBondContact CB-SG 3.29Å; C753-C811 PolarHBondContact N-SG 3.02Å; C753-C811 VanDerWaalsContact N-SG 3.35Å; C753-C811 WeakPolarHBondContact SG-CA 3.37Å; C753-C811 WeakPolarHBondContact SG-CB 3.33Å; C753-C811 CovalentContact SG-SG 2.05Å; C753-C811 PolarHBondContact SG-SG 3.11Å
754E87.6Confident90.1Very high112 Ų11242.3 Ų42.352%0.52324%0.243SC..THydrogen-bonded Turntrans-75.7-6.8169.4-67.3172.4-148.300112.2K547 R548 K732 D752K547-E754 CarbonylContact C-O 3.52Å; K547-E754 WeakPolarHBondContact CA-O 3.31Å; R548-E754 PolarHBondContact N-O 3.3Å; K732-E754 WeakPolarHBondContact CD-OE2 3.35Å; K732-E754 WeakPolarHBondContact CE-OE2 3.46Å; K732-E754 IonicContact NZ-OE1 2.9Å; K732-E754 PolarHBondContact NZ-OE1 3.24Å; K732-E754 IonicContact NZ-OE2 3.39Å; K732-E754 PolarHBondContact NZ-OE2 2.8Å; D752-E754 PolarHBondContact O-N 3.34Å; D752-E754 PolarHBondContact OD1-N 3.2Å
755L90.7Very high90Very high0 Ų043.3 Ų43.30%025%0.247CC..EExtended strand (participates in β ladder)trans-106151.3178.9-56.7174.4000110.7I545 R548 I728 V731 K732 T749 D752 C753I545-L755 HydrophobicContact CD1-CB 4.08Å; I545-L755 HydrophobicContact CD1-CD1 3.84Å; I545-L755 HydrophobicContact CD1-CG 4.4Å; I545-L755 HydrophobicContact CG1-CB 4.17Å; R548-L755 PolarHBondContact NH2-O 3.38Å; I728-L755 HydrophobicContact CD1-CD1 4.46Å; I728-L755 HydrophobicContact CG2-CD1 3.69Å; V731-L755 HydrophobicContact CG1-CD2 3.86Å; K732-L755 HydrophobicContact CG-CD2 4.03Å; T749-L755 HydrophobicContact CG2-CB 3.99Å; D752-L755 HydrophobicContact CB-CD1 3.88Å; D752-L755 HydrophobicContact CB-CG 4.19Å; D752-L755 WeakPolarHBondContact O-CB 3.47Å; D752-L755 PolarHBondContact O-N 2.79Å; C753-L755 PolarHBondContact O-N 3.15Å
756M89Confident90.1Very high42 Ų4243.6 Ų43.621%0.20725%0.25CS..EExtended strand (participates in β ladder)trans-143.6149.1171.361.9175.3-74.800111Y546 R548 A670 V758Y546-M756 PolarHBondContact N-O 3.34Å; Y546-M756 PolarHBondContact O-N 2.98Å; R548-M756 HydrophobicContact CB-CG 4.41Å; R548-M756 HydrophobicContact CG-SD 4.45Å; A670-M756 HydrophobicContact CB-CE 4.3Å; M756-V758 HydrophobicContact CE-CG2 4.14Å; M756-V758 HydrophobicContact CG-CG2 4.49Å
757Q90Very high90.3Very high77 Ų7742.1 Ų42.136%0.3624%0.243SC..EExtended strand (participates in β ladder)trans-76134.3164.6179.1177.9-33.800109.1I544 G759I544-Q757 WeakPolarHBondContact O-CA 3.48Å; Q757-G759 PolarHBondContact NE2-O 3.27Å; Q757-G759 VanDerWaalsContact NE2-O 3.09Å
758V87.7Confident90.5Very high3 Ų341.6 Ų41.62%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-106.6127.8173.6176.40000109I544 I672 M756I544-V758 HydrophobicContact CB-CB 4.08Å; I544-V758 HydrophobicContact CG2-CB 4.03Å; I544-V758 PolarHBondContact O-N 3.35Å; I672-V758 HydrophobicContact CB-CG1 4.25Å; I672-V758 HydrophobicContact CD1-CB 4.3Å; I672-V758 HydrophobicContact CD1-CG1 3.96Å; I672-V758 HydrophobicContact CD1-CG2 4.04Å; I672-V758 HydrophobicContact CG1-CG1 3.84Å; I672-V758 HydrophobicContact CG1-CG2 4.15Å; I672-V758 VanDerWaalsContact O-CG1 3.24Å; I672-V758 WeakPolarHBondContact O-CG1 3.25Å; M756-V758 HydrophobicContact CE-CG2 4.14Å; M756-V758 HydrophobicContact CG-CG2 4.49Å
759G86.6Confident90.7Very high36 Ų3639.8 Ų39.837%0.37123%0.234SC..SBendtrans69.5-174.2176.200000115.2E673 Q757E673-G759 WeakPolarHBondContact O-CA 3.44Å; E673-G759 PolarHBondContact O-N 3.32Å; Q757-G759 PolarHBondContact NE2-O 3.27Å; Q757-G759 VanDerWaalsContact NE2-O 3.09Å
760G88.1Confident91.1Very high53 Ų5338.8 Ų38.855%0.54623%0.228SC..SBendtrans-79.3-174173.300000113.2
761L91.7Very high91.4Very high91 Ų9136.9 Ų36.948%0.47622%0.219SC..  trans-74.5136.9171.9-55.5179.8000109.8I542I542-L761 WeakPolarHBondContact O-CA 3.43Å
762L90.7Very high91.6Very high28 Ų2834.2 Ų34.215%0.14721%0.209CC..SBendtrans-82.6-20.9-178.8-53-176.4000113I542 A675 F698 Y706 L739I542-L762 HydrophobicContact CB-CB 4.24Å; I542-L762 HydrophobicContact CB-CD1 4.46Å; I542-L762 HydrophobicContact CG2-CD1 3.9Å; I542-L762 HydrophobicContact CG2-CG 4.44Å; I542-L762 PolarHBondContact O-N 3.06Å; A675-L762 HydrophobicContact CB-CD1 4Å; A675-L762 HydrophobicContact CB-CD2 3.54Å; A675-L762 HydrophobicContact CB-CG 4.44Å; F698-L762 HydrophobicContact CZ-CD1 4.08Å; Y706-L762 HydrophobicContact CE1-CB 4.48Å; Y706-L762 PolarHBondContact OH-O 2.78Å; Y706-L762 VanDerWaalsContact OH-O 3.05Å; L739-L762 HydrophobicContact CD2-CD1 4.25Å
763D91.6Very high91.4Very high29 Ų2938 Ų3816%0.15523%0.225CC..SBendtrans-151.9177.8177.667.4-5.9000110.7G541 I542 F697 K765G541-D763 VanDerWaalsContact CA-O 3.32Å; G541-D763 WeakPolarHBondContact CA-O 3.23Å; G541-D763 VanDerWaalsContact CA-OD1 3.27Å; G541-D763 WeakPolarHBondContact CA-OD1 3.47Å; I542-D763 WeakPolarHBondContact CD1-OD2 3.35Å; I542-D763 WeakPolarHBondContact CG1-OD1 3.32Å; I542-D763 PolarHBondContact N-OD1 3.27Å; F697-D763 HydrophobicContact CD2-CB 4.49Å; F697-D763 HydrophobicContact CE2-CB 3.79Å; F697-D763 HydrophobicContact CZ-CB 4.05Å; D763-K765 WeakPolarHBondContact OD2-CD 3.43Å; D763-K765 WeakPolarHBondContact OD2-CE 3.45Å; D763-K765 IonicContact OD2-NZ 2.7Å; D763-K765 PolarHBondContact OD2-NZ 2.93Å
764S90.8Very high90.9Very high109 Ų10937 Ų3776%0.76223%0.226SC*.  trans-124.5123175.2-176.60000109.6
765K91.9Very high90.8Very high31 Ų3132 Ų3214%0.13520%0.203CC..EExtended strand (participates in β ladder)trans-139.3168-174.1-77.8171.2166.9155.50110.4T522 L540 D763T522-K765 HydrophobicContact CG2-CB 4.19Å; T522-K765 HydrophobicContact CG2-CD 3.87Å; T522-K765 HydrophobicContact CG2-CG 4.27Å; L540-K765 HydrophobicContact CG-CB 4.14Å; L540-K765 PolarHBondContact N-O 2.83Å; L540-K765 CarbonylContact O-C 3.55Å; L540-K765 PolarHBondContact O-N 3.18Å; D763-K765 WeakPolarHBondContact OD2-CD 3.43Å; D763-K765 WeakPolarHBondContact OD2-CE 3.45Å; D763-K765 IonicContact OD2-NZ 2.7Å; D763-K765 PolarHBondContact OD2-NZ 2.93Å
766G94.7Very high90.3Very high6 Ų633.4 Ų33.46%0.06221%0.209CC..EExtended strand (participates in β ladder)trans-139.6147.4176.100000112.1I523 M538I523-G766 WeakPolarHBondContact CG1-O 3.42Å; I523-G766 PolarHBondContact N-O 3.37Å; M538-G766 CarbonylContact O-C 3.5Å; M538-G766 VanDerWaalsContact O-CA 3.28Å; M538-G766 WeakPolarHBondContact O-CA 3.47Å
767Y97Very high90.3Very high0 Ų031.5 Ų31.50%020%0.199CC..EExtended strand (participates in β ladder)trans-89130.4163.2-61.2-40.3000109.7Y441 S520 F521 P536 F537 M538 L540 E741 T743Y441-Y767 HydrophobicContact CE1-CD2 4.14Å; Y441-Y767 AromaticContact CE1-CE2 3.73Å; Y441-Y767 HydrophobicContact CE1-CE2 3.73Å; Y441-Y767 AromaticContact CZ-CE2 3.76Å; Y441-Y767 WeakPolarHBondContact OH-CE2 3.31Å; Y441-Y767 PolarHBondContact OH-OH 3.36Å; S520-Y767 VanDerWaalsContact C-CD1 3.47Å; S520-Y767 VanDerWaalsContact C-CE1 3.47Å; S520-Y767 WeakPolarHBondContact O-CE1 3.2Å; F521-Y767 WeakPolarHBondContact O-CA 3.43Å; P536-Y767 CarbonylContact C-O 3.44Å; P536-Y767 WeakPolarHBondContact CA-O 3.24Å; F537-Y767 WeakPolarHBondContact CD1-O 3.21Å; F537-Y767 HydrophobicContact CE2-CD2 4.42Å; F537-Y767 VanDerWaalsContact CZ-CB 3.48Å; F537-Y767 HydrophobicContact CZ-CG 4.39Å; F537-Y767 PolarHBondContact N-O 3.15Å; M538-Y767 HydrophobicContact CB-CD2 4.14Å; M538-Y767 HydrophobicContact CG-CD2 4.28Å; M538-Y767 PolarHBondContact O-N 3.14Å; M538-Y767 HydrophobicContact SD-CD2 4.04Å; M538-Y767 HydrophobicContact SD-CE2 4.22Å; L540-Y767 HydrophobicContact CD1-CD1 4.37Å; L540-Y767 HydrophobicContact CD1-CE1 3.66Å; L540-Y767 HydrophobicContact CD1-CE2 4.19Å; L540-Y767 HydrophobicContact CD2-CD1 3.66Å; L540-Y767 HydrophobicContact CD2-CD2 3.72Å; L540-Y767 HydrophobicContact CD2-CE1 3.78Å; L540-Y767 HydrophobicContact CD2-CE2 3.8Å; L540-Y767 HydrophobicContact CD2-CG 3.64Å; L540-Y767 HydrophobicContact CG-CE1 4.41Å; E741-Y767 VanDerWaalsContact OE2-CE1 3.28Å; E741-Y767 WeakPolarHBondContact OE2-CE1 3.28Å; E741-Y767 VanDerWaalsContact OE2-CZ 3.27Å; E741-Y767 PolarHBondContact OE2-OH 2.91Å; T743-Y767 HydrophobicContact CG2-CE2 4.25Å; T743-Y767 PolarHBondContact OG1-OH 3Å; T743-Y767 VanDerWaalsContact OG1-OH 3.05Å
768G96.6Very high90.3Very high0 Ų032 Ų320%020%0.198CC..  trans-124.6163.2176.100000111.2F521F521-G768 PolarHBondContact O-N 3.31Å
769I98Very high90.4Very high0 Ų036.4 Ų36.40%022%0.221CC..  trans-83.4123.1167.2-61.6179.7000107I472 L516 A517 V518 F533 T534 F537 L771 I781 I785I472-I769 HydrophobicContact CD1-CD1 3.71Å; L516-I769 HydrophobicContact CB-CG2 4.09Å; L516-I769 HydrophobicContact CD2-CG2 3.95Å; L516-I769 HydrophobicContact CG-CG2 4.44Å; A517-I769 WeakPolarHBondContact O-CA 3.44Å; V518-I769 HydrophobicContact CG1-CG1 4.44Å; V518-I769 HydrophobicContact CG2-CB 4.43Å; V518-I769 HydrophobicContact CG2-CD1 4.31Å; V518-I769 HydrophobicContact CG2-CG1 4.08Å; V518-I769 HydrophobicContact CG2-CG2 3.82Å; F533-I769 WeakPolarHBondContact CA-O 3.33Å; T534-I769 HydrophobicContact CG2-CB 3.79Å; T534-I769 HydrophobicContact CG2-CG2 4.4Å; T534-I769 PolarHBondContact N-O 3.44Å; T534-I769 PolarHBondContact OG1-N 3.46Å; T534-I769 VanDerWaalsContact OG1-N 3.07Å; F537-I769 HydrophobicContact CD1-CG1 4.18Å; F537-I769 HydrophobicContact CE1-CG1 4.31Å; I769-L771 WeakPolarHBondContact O-CD1 3.48Å; I769-I781 HydrophobicContact CD1-CG2 4Å; I769-I785 HydrophobicContact CD1-CD1 4.08Å; I769-I785 HydrophobicContact CG1-CD1 4.45Å
770G97.4Very high90.6Very high0 Ų035 Ų350%021%0.206CC..EExtended strand (participates in β ladder)trans-80.7141.8174.900000111.1L516 A517 D532L516-G770 CarbonylContact C-O 3.55Å; L516-G770 VanDerWaalsContact CA-O 3.31Å; L516-G770 WeakPolarHBondContact CA-O 3.28Å; A517-G770 PolarHBondContact N-O 2.77Å; A517-G770 PolarHBondContact O-N 3.39Å; D532-G770 CarbonylContact O-C 3.58Å; D532-G770 WeakPolarHBondContact O-CA 3.44Å
771L96Very high90.9Very high0 Ų032.5 Ų32.50%018%0.18CC..EExtended strand (participates in β ladder)trans-131.7156.7174.2-54.997000109.4L516 I531 D532 T534 I769 S775 R778 I781L516-L771 HydrophobicContact CD2-CD2 3.54Å; L516-L771 HydrophobicContact CD2-CG 3.7Å; I531-L771 WeakPolarHBondContact CB-O 3.42Å; D532-L771 HydrophobicContact CB-CB 4.33Å; D532-L771 PolarHBondContact N-O 2.99Å; D532-L771 PolarHBondContact O-N 2.68Å; T534-L771 HydrophobicContact CG2-CD1 3.73Å; I769-L771 WeakPolarHBondContact O-CD1 3.48Å; L771-S775 WeakPolarHBondContact CD2-OG 3.26Å; L771-R778 HydrophobicContact CD1-CB 4.19Å; L771-R778 HydrophobicContact CD1-CG 4.17Å; L771-R778 HydrophobicContact CD2-CB 4.32Å; L771-I781 HydrophobicContact CD2-CD1 4.34Å
772P92Very high91.1Very high1 Ų128.8 Ų28.81%0.00616%0.161CC..  trans-58.3146.1167.6-21.635.3000110.3Y238 L509 R512 D515 G774 S775Y238-P772 HydrophobicContact CD1-CB 4.46Å; Y238-P772 HydrophobicContact CE1-CB 3.75Å; Y238-P772 HydrophobicContact CE1-CG 4.06Å; L509-P772 HydrophobicContact CD2-CG 4.18Å; R512-P772 HydrophobicContact CG-CB 4.21Å; R512-P772 HydrophobicContact CG-CG 4.46Å; D515-P772 VanDerWaalsContact O-CD 3.27Å; D515-P772 WeakPolarHBondContact O-CD 3.33Å; P772-G774 PolarHBondContact O-N 3.04Å; P772-S775 WeakPolarHBondContact O-CB 3.42Å; P772-S775 PolarHBondContact O-N 3.04Å; P772-S775 VanDerWaalsContact O-N 3.13Å
773E84.3Confident91.2Very high121 Ų12131.5 Ų31.557%0.56517%0.173SC*.THydrogen-bonded Turntrans-52.3132.6178.3-171.1-177.5-176.800112.2
774G76.4Confident91.3Very high39 Ų3930.4 Ų30.440%0.40217%0.168SC..THydrogen-bonded Turntrans74.420.1-178.100000114.3D532 P772 K776D532-G774 PolarHBondContact OD2-N 2.69Å; P772-G774 PolarHBondContact O-N 3.04Å; G774-K776 PolarHBondContact O-N 3.48Å
775S85.2Confident91.6Very high7 Ų725.2 Ų25.25%0.04913%0.131CC..  trans-67.9119.8-179.8179.70000112.1L771 P772 Y777 R778L771-S775 WeakPolarHBondContact CD2-OG 3.26Å; P772-S775 WeakPolarHBondContact O-CB 3.42Å; P772-S775 PolarHBondContact O-N 3.04Å; P772-S775 VanDerWaalsContact O-N 3.13Å; S775-Y777 PolarHBondContact O-N 3.49Å; S775-Y777 PolarHBondContact OG-N 3.36Å; S775-R778 WeakPolarHBondContact O-CB 3.33Å; S775-R778 PolarHBondContact O-N 3.1Å; S775-R778 VanDerWaalsContact O-N 3.16Å
776K81.1Confident91.8Very high28 Ų2827.9 Ų27.912%0.12215%0.146CC..THydrogen-bonded Turntrans-62.3-11.5175.467.5-178179.6-172.80114.9Q237 G261 Y422 E425 G774 P780Q237-K776 HydrophobicContact CB-CD 4.09Å; Q237-K776 VanDerWaalsContact CB-CE 3.46Å; G261-K776 PolarHBondContact O-NZ 3.03Å; Y422-K776 HydrophobicContact CD1-CB 4.45Å; Y422-K776 HydrophobicContact CD1-CD 3.95Å; Y422-K776 HydrophobicContact CE1-CB 4.4Å; Y422-K776 HydrophobicContact CE1-CD 4.08Å; E425-K776 IonicContact OE1-NZ 3.43Å; E425-K776 PolarHBondContact OE1-NZ 3.15Å; E425-K776 VanDerWaalsContact OE1-NZ 3.11Å; E425-K776 WeakPolarHBondContact OE2-CE 3.39Å; E425-K776 IonicContact OE2-NZ 3.9Å; E425-K776 PolarHBondContact OE2-NZ 2.77Å; G774-K776 PolarHBondContact O-N 3.48Å; K776-P780 WeakPolarHBondContact O-CD 3.36Å
777Y88.1Confident91.9Very high3 Ų333.2 Ų33.21%0.01217%0.168CC..THydrogen-bonded Turntrans-88.9-10179.6-54.9-35.6000113.7Q237 L426 L431 S775 D779 P780 I781Q237-Y777 PolarHBondContact OE1-OH 3.38Å; L426-Y777 HydrophobicContact CB-CD1 4.4Å; L426-Y777 HydrophobicContact CB-CE1 4.12Å; L426-Y777 HydrophobicContact CD1-CD1 3.88Å; L426-Y777 HydrophobicContact CD1-CD2 4.15Å; L426-Y777 HydrophobicContact CD1-CE1 3.81Å; L426-Y777 HydrophobicContact CD1-CE2 4.06Å; L426-Y777 HydrophobicContact CD1-CG 4.05Å; L426-Y777 HydrophobicContact CD2-CD1 4.43Å; L426-Y777 HydrophobicContact CG-CD1 4.48Å; L426-Y777 HydrophobicContact CG-CE1 4.48Å; L431-Y777 HydrophobicContact CD2-CD2 4.36Å; L431-Y777 HydrophobicContact CD2-CE2 3.95Å; S775-Y777 PolarHBondContact O-N 3.49Å; S775-Y777 PolarHBondContact OG-N 3.36Å; Y777-D779 PolarHBondContact O-N 3.24Å; Y777-P780 WeakPolarHBondContact O-CD 3.46Å; Y777-I781 WeakPolarHBondContact O-CB 3.41Å; Y777-I781 WeakPolarHBondContact O-CD1 3.33Å; Y777-I781 WeakPolarHBondContact O-CG1 3.34Å; Y777-I781 PolarHBondContact O-N 3.42Å; Y777-I781 VanDerWaalsContact O-N 3.14Å
778R90.5Very high91.9Very high88 Ų8833.9 Ų33.933%0.33217%0.172SC..Hα-helixtrans-56.8-50.1-178.5-176.1-17070.3-165.1-0.3111.7D532 F533 L771 S775 S782D532-R778 IonicContact OD1-NH1 3.43Å; D532-R778 PolarHBondContact OD1-NH1 3.49Å; F533-R778 WeakPolarHBondContact O-CD 3.47Å; L771-R778 HydrophobicContact CD1-CB 4.19Å; L771-R778 HydrophobicContact CD1-CG 4.17Å; L771-R778 HydrophobicContact CD2-CB 4.32Å; S775-R778 WeakPolarHBondContact O-CB 3.33Å; S775-R778 PolarHBondContact O-N 3.1Å; S775-R778 VanDerWaalsContact O-N 3.16Å; R778-S782 VanDerWaalsContact O-CB 3.26Å; R778-S782 WeakPolarHBondContact O-CB 3.46Å; R778-S782 PolarHBondContact O-N 3.47Å; R778-S782 PolarHBondContact O-OG 3.26Å
779D89.7Confident91.7Very high95 Ų9536.8 Ų36.851%0.50819%0.185SC..Hα-helixtrans-72.8-46-172.6-54.2-21.6000112.2Y777 I781 S782 E783Y777-D779 PolarHBondContact O-N 3.24Å; D779-I781 VanDerWaalsContact C-N 3.33Å; D779-I781 PolarHBondContact O-N 3.38Å; D779-S782 PolarHBondContact O-N 3.4Å; D779-E783 PolarHBondContact O-N 3.5Å
780P90.7Very high91.5Very high6 Ų646 Ų464%0.03923%0.225CC..Hα-helixtrans-56.4-43.2172.6-26.434.4000113.5Q423 L476 K776 Y777 E783 T784Q423-P780 HydrophobicContact CG-CB 4.46Å; L476-P780 HydrophobicContact CD1-CB 4.34Å; L476-P780 HydrophobicContact CD2-CB 4.29Å; K776-P780 WeakPolarHBondContact O-CD 3.36Å; Y777-P780 WeakPolarHBondContact O-CD 3.46Å; P780-E783 PolarHBondContact O-N 2.9Å; P780-T784 PolarHBondContact O-N 3.33Å; P780-T784 VanDerWaalsContact O-N 3.12Å; P780-T784 PolarHBondContact O-OG1 3.21Å
781I94.5Very high91.5Very high0 Ų048.9 Ų48.90%025%0.246CC..Hα-helixtrans-68.7-41.6178.9-65.4171.5000110.8I472 L476 L516 T534 I769 L771 Y777 D779 E783 T784 I785I472-I781 HydrophobicContact CD1-CG2 4.25Å; I472-I781 HydrophobicContact CG2-CG1 4.31Å; I472-I781 HydrophobicContact CG2-CG2 4.17Å; L476-I781 HydrophobicContact CD1-CG1 3.77Å; L516-I781 HydrophobicContact CD1-CD1 4.17Å; L516-I781 HydrophobicContact CD2-CD1 3.76Å; T534-I781 HydrophobicContact CG2-CB 4.22Å; T534-I781 HydrophobicContact CG2-CG2 3.78Å; I769-I781 HydrophobicContact CD1-CG2 4Å; L771-I781 HydrophobicContact CD2-CD1 4.34Å; Y777-I781 WeakPolarHBondContact O-CB 3.41Å; Y777-I781 WeakPolarHBondContact O-CD1 3.33Å; Y777-I781 WeakPolarHBondContact O-CG1 3.34Å; Y777-I781 PolarHBondContact O-N 3.42Å; Y777-I781 VanDerWaalsContact O-N 3.14Å; D779-I781 VanDerWaalsContact C-N 3.33Å; D779-I781 PolarHBondContact O-N 3.38Å; I781-E783 VanDerWaalsContact C-N 3.32Å; I781-E783 PolarHBondContact O-N 3.3Å; I781-T784 PolarHBondContact O-N 2.89Å; I781-I785 HydrophobicContact CG2-CD1 4.07Å; I781-I785 WeakPolarHBondContact O-CG1 3.42Å; I781-I785 PolarHBondContact O-N 3.12Å
782S95.2Very high91.4Very high13 Ų1355.3 Ų55.39%0.09128%0.275CS..Hα-helixtrans-61.3-40.3177.1-62.20000111.9T534 T535 R778 D779 I785 L786T534-S782 VanDerWaalsContact CA-OG 3.27Å; T534-S782 WeakPolarHBondContact CA-OG 3.49Å; T534-S782 VanDerWaalsContact CB-OG 3.31Å; T534-S782 WeakPolarHBondContact CB-OG 3.19Å; T535-S782 PolarHBondContact N-OG 3.48Å; T535-S782 WeakPolarHBondContact OG1-CB 3.35Å; T535-S782 PolarHBondContact OG1-O 3.18Å; R778-S782 VanDerWaalsContact O-CB 3.26Å; R778-S782 WeakPolarHBondContact O-CB 3.46Å; R778-S782 PolarHBondContact O-N 3.47Å; R778-S782 PolarHBondContact O-OG 3.26Å; D779-S782 PolarHBondContact O-N 3.4Å; S782-I785 PolarHBondContact O-N 3.26Å; S782-L786 VanDerWaalsContact O-CG 3.31Å; S782-L786 WeakPolarHBondContact O-CG 3.33Å; S782-L786 PolarHBondContact O-N 3.4Å
783E93.2Very high91.6Very high86 Ų8656.3 Ų56.340%0.40228%0.281SS..Hα-helixtrans-64.6-42.3175.3-174.3176.6-168.500112K419 D779 P780 I781 I785 L786 K787K419-E783 WeakPolarHBondContact CE-OE2 3.38Å; K419-E783 IonicContact NZ-OE1 3.1Å; K419-E783 PolarHBondContact NZ-OE1 2.91Å; K419-E783 IonicContact NZ-OE2 3.13Å; K419-E783 PolarHBondContact NZ-OE2 3.26Å; D779-E783 PolarHBondContact O-N 3.5Å; P780-E783 PolarHBondContact O-N 2.9Å; I781-E783 VanDerWaalsContact C-N 3.32Å; I781-E783 PolarHBondContact O-N 3.3Å; E783-I785 VanDerWaalsContact C-N 3.33Å; E783-I785 PolarHBondContact O-N 3.49Å; E783-L786 PolarHBondContact O-N 2.79Å; E783-K787 WeakPolarHBondContact O-CB 3.43Å; E783-K787 PolarHBondContact O-N 2.87Å
784T95Very high92.1Very high5 Ų551 Ų513%0.03126%0.257CS..Hα-helixtrans-62.4-40.2173.7-59.60000111.3I472 D475 P780 I781 L786 K787 L788I472-T784 HydrophobicContact CB-CG2 4.42Å; I472-T784 HydrophobicContact CG1-CG2 4.07Å; D475-T784 HydrophobicContact CB-CG2 3.86Å; D475-T784 VanDerWaalsContact OD2-CG2 3.31Å; D475-T784 WeakPolarHBondContact OD2-CG2 3.37Å; D475-T784 PolarHBondContact OD2-OG1 2.77Å; P780-T784 PolarHBondContact O-N 3.33Å; P780-T784 VanDerWaalsContact O-N 3.12Å; P780-T784 PolarHBondContact O-OG1 3.21Å; I781-T784 PolarHBondContact O-N 2.89Å; T784-L786 PolarHBondContact O-N 3.35Å; T784-K787 WeakPolarHBondContact O-CB 3.31Å; T784-K787 PolarHBondContact O-N 2.95Å; T784-L788 HydrophobicContact CG2-CD1 4.31Å; T784-L788 HydrophobicContact CG2-CG 4.49Å; T784-L788 VanDerWaalsContact O-CG 3.29Å; T784-L788 WeakPolarHBondContact O-CG 3.38Å; T784-L788 PolarHBondContact O-N 2.8Å
785I96.7Very high92.9Very high0 Ų054.7 Ų54.70%026%0.264CS..Hα-helixtrans-60.2-45.8173.9-69.3166.6000111I472 T534 F537 I769 I781 S782 E783 K787 L788 Q789 L794I472-I785 HydrophobicContact CD1-CG1 4.15Å; T534-I785 HydrophobicContact CG2-CD1 4.17Å; T534-I785 WeakPolarHBondContact OG1-CD1 3.17Å; F537-I785 HydrophobicContact CB-CD1 4.4Å; F537-I785 HydrophobicContact CB-CG2 3.81Å; I769-I785 HydrophobicContact CD1-CD1 4.08Å; I769-I785 HydrophobicContact CG1-CD1 4.45Å; I781-I785 HydrophobicContact CG2-CD1 4.07Å; I781-I785 WeakPolarHBondContact O-CG1 3.42Å; I781-I785 PolarHBondContact O-N 3.12Å; S782-I785 PolarHBondContact O-N 3.26Å; E783-I785 VanDerWaalsContact C-N 3.33Å; E783-I785 PolarHBondContact O-N 3.49Å; I785-K787 VanDerWaalsContact C-N 3.32Å; I785-K787 PolarHBondContact O-N 3.4Å; I785-L788 PolarHBondContact O-N 2.71Å; I785-Q789 WeakPolarHBondContact O-CG 3.49Å; I785-Q789 PolarHBondContact O-N 2.73Å; I785-L794 HydrophobicContact CG2-CD1 4.37Å
786L96.1Very high93.4Very high87 Ų8760 Ų6046%0.45529%0.288SS..Hα-helixtrans-62.3-38.5176.8-69171.9000111.9T535 S782 E783 T784 Q789 K790T535-L786 HydrophobicContact CG2-CD1 4.49Å; S782-L786 VanDerWaalsContact O-CG 3.31Å; S782-L786 WeakPolarHBondContact O-CG 3.33Å; S782-L786 PolarHBondContact O-N 3.4Å; E783-L786 PolarHBondContact O-N 2.79Å; T784-L786 PolarHBondContact O-N 3.35Å; L786-Q789 PolarHBondContact O-N 3.06Å; L786-K790 WeakPolarHBondContact O-CB 3.42Å; L786-K790 PolarHBondContact O-N 3.19Å
787K95.9Very high94Very high119 Ų11959.6 Ų59.652%0.51729%0.287SS..Hα-helixtrans-63.2-41173.9-176.4-177.8174.5-173.20111.6D475 E783 T784 I785 K790 S791D475-K787 IonicContact OD1-NZ 2.7Å; D475-K787 PolarHBondContact OD1-NZ 3.38Å; D475-K787 IonicContact OD2-NZ 2.68Å; E783-K787 WeakPolarHBondContact O-CB 3.43Å; E783-K787 PolarHBondContact O-N 2.87Å; T784-K787 WeakPolarHBondContact O-CB 3.31Å; T784-K787 PolarHBondContact O-N 2.95Å; I785-K787 VanDerWaalsContact C-N 3.32Å; I785-K787 PolarHBondContact O-N 3.4Å; K787-K790 PolarHBondContact O-N 2.67Å; K787-S791 WeakPolarHBondContact O-CB 3.25Å; K787-S791 PolarHBondContact O-N 3.11Å; K787-S791 PolarHBondContact O-OG 2.83Å
788L96.5Very high94.3Very high14 Ų1461.4 Ų61.47%0.07330%0.295CS..Hα-helixtrans-68.7-34.1175.8-66.2172.9000112.5L468 Y471 I472 T784 I785 S791 Q792 V793 L794L468-L788 HydrophobicContact CD1-CD1 3.88Å; Y471-L788 HydrophobicContact CD1-CD2 4.14Å; Y471-L788 HydrophobicContact CG-CD2 4.09Å; I472-L788 HydrophobicContact CG1-CD1 4.23Å; T784-L788 HydrophobicContact CG2-CD1 4.31Å; T784-L788 HydrophobicContact CG2-CG 4.49Å; T784-L788 VanDerWaalsContact O-CG 3.29Å; T784-L788 WeakPolarHBondContact O-CG 3.38Å; T784-L788 PolarHBondContact O-N 2.8Å; I785-L788 PolarHBondContact O-N 2.71Å; L788-S791 WeakPolarHBondContact CA-OG 3.4Å; L788-S791 PolarHBondContact O-OG 2.91Å; L788-Q792 PolarHBondContact O-N 2.68Å; L788-V793 HydrophobicContact CD2-CB 4.04Å; L788-V793 HydrophobicContact CD2-CG1 4.01Å; L788-V793 HydrophobicContact CD2-CG2 4.38Å; L788-V793 PolarHBondContact O-N 3.1Å; L788-L794 HydrophobicContact CB-CD1 4.46Å; L788-L794 HydrophobicContact CB-CD2 3.86Å; L788-L794 HydrophobicContact CB-CG 3.84Å; L788-L794 HydrophobicContact CD1-CD2 4.21Å; L788-L794 PolarHBondContact O-N 2.77Å
789Q93.8Very high94.5Very high60 Ų6062.7 Ų62.728%0.2830%0.303SS..Hα-helixtrans-66.3-50.1171.8-75.7178.2-1700111.4P536 I785 L786 S791 Q792 L794P536-Q789 PolarHBondContact O-NE2 3.48Å; I785-Q789 WeakPolarHBondContact O-CG 3.49Å; I785-Q789 PolarHBondContact O-N 2.73Å; L786-Q789 PolarHBondContact O-N 3.06Å; Q789-S791 VanDerWaalsContact C-N 3.27Å; Q789-S791 PolarHBondContact O-N 3.38Å; Q789-Q792 PolarHBondContact O-N 3.12Å; Q789-L794 HydrophobicContact CG-CD1 3.42Å; Q789-L794 VanDerWaalsContact CG-CD1 3.42Å; Q789-L794 HydrophobicContact CG-CG 4.26Å
790K94.4Very high94.7Very high193 Ų19362.9 Ų62.984%0.83930%0.297SS*.Hα-helixtrans-60.5-36.3179.9-175.7177.6178.9178.30112.6L786 K787 Q792L786-K790 WeakPolarHBondContact O-CB 3.42Å; L786-K790 PolarHBondContact O-N 3.19Å; K787-K790 PolarHBondContact O-N 2.67Å; K790-Q792 VanDerWaalsContact C-N 3.27Å; K790-Q792 PolarHBondContact O-N 3.01Å
791S95.3Very high94.9Very high62 Ų6263.1 Ų63.143%0.43430%0.298SS..THydrogen-bonded Turntrans-82.51.9176.655.50000114.2K787 L788 Q789 V793K787-S791 WeakPolarHBondContact O-CB 3.25Å; K787-S791 PolarHBondContact O-N 3.11Å; K787-S791 PolarHBondContact O-OG 2.83Å; L788-S791 WeakPolarHBondContact CA-OG 3.4Å; L788-S791 PolarHBondContact O-OG 2.91Å; Q789-S791 VanDerWaalsContact C-N 3.27Å; Q789-S791 PolarHBondContact O-N 3.38Å; S791-V793 PolarHBondContact O-N 3.49Å; S791-V793 VanDerWaalsContact O-N 3.14Å; S791-V793 WeakPolarHBondContact OG-CG2 3.45Å
792Q94.2Very high94.8Very high134 Ų13463.1 Ų63.163%0.62630%0.298SS*.THydrogen-bonded Turntrans6112.5-177.4-56.9-177.2-25.700115.2L788 Q789 K790 L794 E795 Q796L788-Q792 PolarHBondContact O-N 2.68Å; Q789-Q792 PolarHBondContact O-N 3.12Å; K790-Q792 VanDerWaalsContact C-N 3.27Å; K790-Q792 PolarHBondContact O-N 3.01Å; Q792-L794 VanDerWaalsContact C-N 3.31Å; Q792-L794 PolarHBondContact O-N 3.46Å; Q792-E795 PolarHBondContact O-N 3.49Å; Q792-Q796 WeakPolarHBondContact O-CG 3.29Å; Q792-Q796 PolarHBondContact O-N 3.18Å
793V96.3Very high94.5Very high22 Ų2268.2 Ų68.213%0.13332%0.315CS..Hα-helixtrans-62.6-39.8178.3174.50000110.8Y471 L788 S791 E795 Q796 L797Y471-V793 HydrophobicContact CD1-CG1 4.41Å; Y471-V793 HydrophobicContact CD2-CG1 4.03Å; Y471-V793 HydrophobicContact CE1-CG1 4.06Å; Y471-V793 HydrophobicContact CE2-CG1 3.67Å; Y471-V793 HydrophobicContact CG-CG1 4.4Å; L788-V793 HydrophobicContact CD2-CB 4.04Å; L788-V793 HydrophobicContact CD2-CG1 4.01Å; L788-V793 HydrophobicContact CD2-CG2 4.38Å; L788-V793 PolarHBondContact O-N 3.1Å; S791-V793 PolarHBondContact O-N 3.49Å; S791-V793 VanDerWaalsContact O-N 3.14Å; S791-V793 WeakPolarHBondContact OG-CG2 3.45Å; V793-E795 VanDerWaalsContact C-N 3.29Å; V793-E795 PolarHBondContact O-N 2.88Å; V793-Q796 PolarHBondContact O-N 3.25Å; V793-L797 HydrophobicContact CG1-CD1 4.27Å; V793-L797 HydrophobicContact CG1-CG 4.39Å; V793-L797 WeakPolarHBondContact O-CG 3.45Å; V793-L797 PolarHBondContact O-N 3.33Å
794L94.9Very high94.2Very high11 Ų1170.7 Ų70.76%0.05832%0.324CS..Hα-helixtrans-62.5-36.9177.1-61.8-167.8000112.5L468 F537 I785 L788 Q789 Q792 L797 K798L468-L794 HydrophobicContact CD1-CD2 3.63Å; F537-L794 HydrophobicContact CB-CD1 4.16Å; F537-L794 VanDerWaalsContact O-CD1 3.27Å; F537-L794 WeakPolarHBondContact O-CD1 3.26Å; I785-L794 HydrophobicContact CG2-CD1 4.37Å; L788-L794 HydrophobicContact CB-CD1 4.46Å; L788-L794 HydrophobicContact CB-CD2 3.86Å; L788-L794 HydrophobicContact CB-CG 3.84Å; L788-L794 HydrophobicContact CD1-CD2 4.21Å; L788-L794 PolarHBondContact O-N 2.77Å; Q789-L794 HydrophobicContact CG-CD1 3.42Å; Q789-L794 VanDerWaalsContact CG-CD1 3.42Å; Q789-L794 HydrophobicContact CG-CG 4.26Å; Q792-L794 VanDerWaalsContact C-N 3.31Å; Q792-L794 PolarHBondContact O-N 3.46Å; L794-L797 HydrophobicContact CD2-CD1 4.5Å; L794-L797 PolarHBondContact O-N 3.13Å; L794-K798 WeakPolarHBondContact O-CB 3.49Å; L794-K798 PolarHBondContact O-N 3.02Å
795E93.4Very high93.9Very high116 Ų11672.4 Ų72.454%0.54233%0.332SS..Hα-helixtrans-70.2-39.3177.7-168.462.3-163.500111.1Q792 V793 K798 F799Q792-E795 PolarHBondContact O-N 3.49Å; V793-E795 VanDerWaalsContact C-N 3.29Å; V793-E795 PolarHBondContact O-N 2.88Å; E795-K798 PolarHBondContact O-N 2.71Å; E795-F799 WeakPolarHBondContact O-CB 3.41Å; E795-F799 PolarHBondContact O-N 2.77Å
796Q95.3Very high93.2Very high119 Ų11977.5 Ų77.556%0.55636%0.359SS*.Hα-helixtrans-62.9-43.3173.9-67.7173.215.300111.9Q792 V793 F799 Y800Q792-Q796 WeakPolarHBondContact O-CG 3.29Å; Q792-Q796 PolarHBondContact O-N 3.18Å; V793-Q796 PolarHBondContact O-N 3.25Å; Q796-F799 PolarHBondContact O-N 3.47Å; Q796-Y800 WeakPolarHBondContact O-CB 3.45Å; Q796-Y800 PolarHBondContact O-N 2.79Å
797L95.3Very high92.6Very high18 Ų1874.7 Ų74.79%0.09434%0.344CS..Hα-helixtrans-62.6-45.8174.8-74178.4000111.2F464 Y471 V793 L794 F799 Y800 W801F464-L797 HydrophobicContact CD2-CB 3.9Å; F464-L797 HydrophobicContact CE2-CB 3.69Å; Y471-L797 HydrophobicContact CD2-CD1 3.97Å; Y471-L797 HydrophobicContact CE2-CD1 3.94Å; Y471-L797 HydrophobicContact CE2-CD2 4.2Å; Y471-L797 HydrophobicContact CE2-CG 4.33Å; V793-L797 HydrophobicContact CG1-CD1 4.27Å; V793-L797 HydrophobicContact CG1-CG 4.39Å; V793-L797 WeakPolarHBondContact O-CG 3.45Å; V793-L797 PolarHBondContact O-N 3.33Å; L794-L797 HydrophobicContact CD2-CD1 4.5Å; L794-L797 PolarHBondContact O-N 3.13Å; L797-F799 PolarHBondContact O-N 3.34Å; L797-Y800 PolarHBondContact O-N 3.48Å; L797-W801 PolarHBondContact O-N 3.26Å
798K94.4Very high91.4Very high42 Ų4278 Ų7818%0.18336%0.361CS..Hα-helixtrans-58.2-50.5176.3-173.3-173.5176.3-167.60110.2F464 M538 E746 L794 E795 Y800 W801 W802F464-K798 HydrophobicContact CE2-CB 4.3Å; M538-K798 HydrophobicContact CE-CB 4.49Å; M538-K798 HydrophobicContact CE-CD 4.39Å; M538-K798 HydrophobicContact CE-CG 4.21Å; E746-K798 WeakPolarHBondContact OE2-CE 3.39Å; E746-K798 IonicContact OE2-NZ 2.79Å; E746-K798 PolarHBondContact OE2-NZ 2.95Å; L794-K798 WeakPolarHBondContact O-CB 3.49Å; L794-K798 PolarHBondContact O-N 3.02Å; E795-K798 PolarHBondContact O-N 2.71Å; K798-Y800 VanDerWaalsContact C-N 3.32Å; K798-Y800 PolarHBondContact O-N 3.29Å; K798-W801 PolarHBondContact O-N 3.26Å; K798-W802 HydrophobicContact CG-CD2 4.2Å; K798-W802 HydrophobicContact CG-CE3 3.94Å; K798-W802 HydrophobicContact CG-CZ3 4.48Å; K798-W802 VanDerWaalsContact O-CB 3.31Å; K798-W802 WeakPolarHBondContact O-CB 3.24Å; K798-W802 PolarHBondContact O-N 3.31Å
799F93.2Very high90.2Very high114 Ų11485.7 Ų85.750%0.539%0.394SS..Hα-helixtrans-55.5-46.5177.6178.7-94.7000112E795 Q796 L797 R803 K804E795-F799 WeakPolarHBondContact O-CB 3.41Å; E795-F799 PolarHBondContact O-N 2.77Å; Q796-F799 PolarHBondContact O-N 3.47Å; L797-F799 PolarHBondContact O-N 3.34Å; F799-R803 HydrophobicContact CD2-CB 4.33Å; F799-R803 HydrophobicContact CE2-CB 4.29Å; F799-R803 WeakPolarHBondContact O-CA 3.46Å; F799-R803 WeakPolarHBondContact O-CB 3.42Å; F799-R803 PolarHBondContact O-N 3.32Å; F799-K804 PolarHBondContact O-N 3.29Å
800Y94.6Very high89Confident100 Ų10087.1 Ų87.139%0.39241%0.409SS..Iπ-helixtrans-59.7-55.1178.1178.1-97.1000112Q796 L797 K798 K804 H805Q796-Y800 WeakPolarHBondContact O-CB 3.45Å; Q796-Y800 PolarHBondContact O-N 2.79Å; L797-Y800 PolarHBondContact O-N 3.48Å; K798-Y800 VanDerWaalsContact C-N 3.32Å; K798-Y800 PolarHBondContact O-N 3.29Å; Y800-K804 HydrophobicContact CD2-CB 4.4Å; Y800-K804 HydrophobicContact CD2-CD 4.01Å; Y800-K804 HydrophobicContact CE2-CD 4.37Å; Y800-K804 WeakPolarHBondContact O-CB 3.44Å; Y800-K804 PolarHBondContact O-N 3.22Å; Y800-K804 VanDerWaalsContact O-N 3.12Å; Y800-H805 HydrophobicContact CE1-CB 4.19Å; Y800-H805 WeakPolarHBondContact O-CB 3.41Å; Y800-H805 PolarHBondContact O-N 3.03Å
801W94.6Very high88Confident11 Ų1178.8 Ų78.84%0.04238%0.375CS..Iπ-helixtrans-72.4-34.2-173.6-71.8111.3000113.2P440 M443 E462 G463 F464 S467 R751 L797 K798 H805P440-W801 HydrophobicContact CB-CB 4.4Å; M443-W801 HydrophobicContact CE-CE3 3.91Å; M443-W801 HydrophobicContact CE-CH2 4.47Å; M443-W801 HydrophobicContact CE-CZ3 3.59Å; E462-W801 HydrophobicContact CB-CH2 4Å; E462-W801 HydrophobicContact CG-CH2 4.17Å; E462-W801 HydrophobicContact CG-CZ3 4.49Å; G463-W801 VanDerWaalsContact N-CH2 3.28Å; F464-W801 VanDerWaalsContact CA-CD1 3.49Å; F464-W801 HydrophobicContact CB-CB 4.41Å; F464-W801 HydrophobicContact CB-CG 4.08Å; S467-W801 PolarHBondContact OG-NE1 2.81Å; R751-W801 PolarHBondContact NH2-O 3.49Å; L797-W801 PolarHBondContact O-N 3.26Å; K798-W801 PolarHBondContact O-N 3.26Å; W801-H805 HydrophobicContact CE3-CB 4.1Å; W801-H805 AromaticContact CE3-CG 3.82Å; W801-H805 HydrophobicContact CZ3-CB 4.49Å; W801-H805 AromaticContact CZ3-CD2 3.55Å; W801-H805 AromaticContact CZ3-CG 3.78Å; W801-H805 AromaticContact CZ3-NE2 3.73Å
802W92.8Very high86.3Confident0 Ų082.6 Ų82.60%039%0.39CS..Iπ-helixtrans-85.3-39.5-179.2-87.8-106.7000113.9P440 Y441 F464 M538 T743 R751 K798 I807P440-W802 HydrophobicContact CG-CD2 4.03Å; P440-W802 HydrophobicContact CG-CE3 3.98Å; P440-W802 HydrophobicContact CG-CH2 3.52Å; P440-W802 HydrophobicContact CG-CZ2 3.55Å; P440-W802 HydrophobicContact CG-CZ3 3.75Å; Y441-W802 HydrophobicContact CD1-CH2 4.06Å; Y441-W802 AromaticContact CE1-CH2 3.55Å; Y441-W802 HydrophobicContact CE1-CH2 3.55Å; Y441-W802 AromaticContact CE1-CZ2 3.83Å; Y441-W802 HydrophobicContact CE1-CZ2 3.83Å; Y441-W802 HydrophobicContact CE2-CZ2 4.45Å; Y441-W802 AromaticContact CZ-CH2 3.91Å; Y441-W802 AromaticContact CZ-CZ2 3.7Å; F464-W802 HydrophobicContact CB-CH2 4.24Å; F464-W802 HydrophobicContact CB-CZ3 3.79Å; F464-W802 AromaticContact CD2-CZ3 3.73Å; F464-W802 HydrophobicContact CD2-CZ3 3.73Å; F464-W802 HydrophobicContact CG-CH2 4.29Å; F464-W802 AromaticContact CG-CZ3 3.83Å; F464-W802 HydrophobicContact CG-CZ3 3.83Å; M538-W802 HydrophobicContact CE-CH2 3.92Å; M538-W802 HydrophobicContact CE-CZ3 4.11Å; M538-W802 HydrophobicContact SD-CH2 4.3Å; M538-W802 HydrophobicContact SD-CZ2 4.49Å; T743-W802 PolarHBondContact O-NE1 3.18Å; R751-W802 PolarHBondContact NH1-O 3.16Å; K798-W802 HydrophobicContact CG-CD2 4.2Å; K798-W802 HydrophobicContact CG-CE3 3.94Å; K798-W802 HydrophobicContact CG-CZ3 4.48Å; K798-W802 VanDerWaalsContact O-CB 3.31Å; K798-W802 WeakPolarHBondContact O-CB 3.24Å; K798-W802 PolarHBondContact O-N 3.31Å; W802-I807 WeakPolarHBondContact O-CD1 3.43Å
803R88.9Confident84.4Confident120 Ų12082.3 Ų82.345%0.45340%0.398SS..Iπ-helixtrans-116.6-11.4-167.3-58.9-170.9-175.4-172.60.6115.4E746 Q750 F799 I807E746-R803 IonicContact OE1-CZ 3.62Å; E746-R803 IonicContact OE1-NE 2.65Å; E746-R803 PolarHBondContact OE1-NE 3.44Å; E746-R803 IonicContact OE1-NH2 3.75Å; E746-R803 PolarHBondContact OE1-NH2 2.84Å; Q750-R803 HydrophobicContact CG-CG 4.28Å; F799-R803 HydrophobicContact CD2-CB 4.33Å; F799-R803 HydrophobicContact CE2-CB 4.29Å; F799-R803 WeakPolarHBondContact O-CA 3.46Å; F799-R803 WeakPolarHBondContact O-CB 3.42Å; F799-R803 PolarHBondContact O-N 3.32Å; R803-I807 WeakPolarHBondContact O-CD1 3.43Å
804K87.3Confident81.9Confident137 Ų13784.1 Ų84.160%0.59641%0.411SS*.Iπ-helixtrans-118.2-44.4-178.1-169.8175.7178.8179.30113.8F799 Y800F799-K804 PolarHBondContact O-N 3.29Å; Y800-K804 HydrophobicContact CD2-CB 4.4Å; Y800-K804 HydrophobicContact CD2-CD 4.01Å; Y800-K804 HydrophobicContact CE2-CD 4.37Å; Y800-K804 WeakPolarHBondContact O-CB 3.44Å; Y800-K804 PolarHBondContact O-N 3.22Å; Y800-K804 VanDerWaalsContact O-N 3.12Å
805H87.1Confident79.5Confident42 Ų4288 Ų8819%0.19444%0.437CS..THydrogen-bonded Turntrans-70130.9-176.3-176.3-81.8000111.2R751 Y800 W801 I807R751-H805 PolarHBondContact NH2-O 3.28Å; Y800-H805 HydrophobicContact CE1-CB 4.19Å; Y800-H805 WeakPolarHBondContact O-CB 3.41Å; Y800-H805 PolarHBondContact O-N 3.03Å; W801-H805 HydrophobicContact CE3-CB 4.1Å; W801-H805 AromaticContact CE3-CG 3.82Å; W801-H805 HydrophobicContact CZ3-CB 4.49Å; W801-H805 AromaticContact CZ3-CD2 3.55Å; W801-H805 AromaticContact CZ3-CG 3.78Å; W801-H805 AromaticContact CZ3-NE2 3.73Å; H805-I807 PolarHBondContact O-N 3.21Å
806D83.4Confident77.2Confident107 Ų10788.3 Ų88.357%0.57245%0.447SS*.THydrogen-bonded Turntrans5536.2175-159.732.8000113.5
807I82.3Confident74.5Confident28 Ų2890.3 Ų90.314%0.14445%0.454CS..  trans-121.4104.1172.7-69.9164.1000107.5Q750 R751 W802 R803 H805 P810Q750-I807 HydrophobicContact CB-CD1 4.29Å; R751-I807 HydrophobicContact CG-CD1 4.18Å; R751-I807 HydrophobicContact CG-CG1 3.62Å; W802-I807 WeakPolarHBondContact O-CD1 3.43Å; R803-I807 WeakPolarHBondContact O-CD1 3.43Å; H805-I807 PolarHBondContact O-N 3.21Å; I807-P810 HydrophobicContact CG2-CB 4.39Å
808E72Confident71.9Confident187 Ų18794.8 Ų94.887%0.87449%0.487SS*.SBendtrans-77.6-34.2178-65.7-175.9170.700112.3
809K70.3Confident69.3Low176 Ų17695.6 Ų95.677%0.76550%0.498SS*.SBendtrans-134.4108.1178.2-67.2-177.6-1771780108.8C811K809-C811 PolarHBondContact O-N 3.01Å
810P68.7Low67Low91 Ų9196.3 Ų96.359%0.59151%0.507SS*.  trans-62.5135.1173.825.9-32.3000109.1I807 D812I807-P810 HydrophobicContact CG2-CB 4.39Å; P810-D812 PolarHBondContact O-N 3.27Å; P810-D812 VanDerWaalsContact O-N 3.15Å
811C73.1Confident65Low18 Ų1892.3 Ų92.312%0.12249%0.494CS..  trans-64.1116169.3-630000107.9C753 K809 T813C753-C811 WeakPolarHBondContact CA-SG 3.48Å; C753-C811 HydrophobicContact CB-CB 3.98Å; C753-C811 WeakPolarHBondContact CB-SG 3.29Å; C753-C811 PolarHBondContact N-SG 3.02Å; C753-C811 VanDerWaalsContact N-SG 3.35Å; C753-C811 WeakPolarHBondContact SG-CA 3.37Å; C753-C811 WeakPolarHBondContact SG-CB 3.33Å; C753-C811 CovalentContact SG-SG 2.05Å; C753-C811 PolarHBondContact SG-SG 3.11Å; K809-C811 PolarHBondContact O-N 3.01Å; C811-T813 PolarHBondContact O-N 2.99Å
812D60.1Low63.6Low141 Ų14195.5 Ų95.575%0.75451%0.512SS*.  trans-54.4120.8173.4-76.2-35.5000107.9P810 S814P810-D812 PolarHBondContact O-N 3.27Å; P810-D812 VanDerWaalsContact O-N 3.15Å; D812-S814 PolarHBondContact O-N 3.29Å
813T54Low62.6Low129 Ų12997.8 Ų97.879%0.79153%0.528SS*.  trans-66.173.9165.731.60000107.4C811 P815C811-T813 PolarHBondContact O-N 2.99Å; T813-P815 VanDerWaalsContact O-CD 3.26Å; T813-P815 WeakPolarHBondContact O-CD 3.32Å
814S44.7Very low62.1Low59 Ų5993.6 Ų93.641%0.41352%0.515SS..  trans-55.6113.1159.554.40000104.6D812 T816D812-S814 PolarHBondContact O-N 3.29Å; S814-T816 PolarHBondContact O-N 3.41Å
815P44.8Very low61.8Low92 Ų9288.1 Ų88.160%0.59750%0.497SS*.  trans-58.2125.2-17724.8-32.2000105.9T813 K817T813-P815 VanDerWaalsContact O-CD 3.26Å; T813-P815 WeakPolarHBondContact O-CD 3.32Å; P815-K817 HydrophobicContact CB-CG 4.04Å; P815-K817 HydrophobicContact CG-CD 4.3Å; P815-K817 HydrophobicContact CG-CG 4.07Å; P815-K817 PolarHBondContact O-N 3.04Å
816T44.6Very low61.6Low123 Ų12388.5 Ų88.576%0.75550%0.502SS*.  trans-61.571.1164.340.90000107.1S814 S818S814-T816 PolarHBondContact O-N 3.41Å; T816-S818 PolarHBondContact O-N 3.23Å
817K39.1Very low61.4Low162 Ų16292.8 Ų92.870%0.70452%0.519SS*.  trans-74.683.1169.7-76.1-174.7178.4-178.90105P815 S819P815-K817 HydrophobicContact CB-CG 4.04Å; P815-K817 HydrophobicContact CG-CD 4.3Å; P815-K817 HydrophobicContact CG-CG 4.07Å; P815-K817 PolarHBondContact O-N 3.04Å; K817-S819 PolarHBondContact O-N 2.81Å
818S39.2Very low61.4Low112 Ų11298.6 Ų98.678%0.78354%0.543SS*.  trans-64.672.7156.654.40000107.5T816T816-S818 PolarHBondContact O-N 3.23Å
819S40.3Very low62.1Low59 Ų5990.2 Ų90.241%0.41350%0.504SS..  trans-101111.6169.759.10000107.7V665 K817 A821V665-S819 WeakPolarHBondContact CG2-OG 3.47Å; K817-S819 PolarHBondContact O-N 2.81Å; S819-A821 PolarHBondContact O-N 3.43Å
820D44.5Very low62.8Low128 Ų12882.8 Ų82.868%0.68448%0.478SS*.  trans-6060.3-177.5-66.8-51.6000114.6N822D820-N822 PolarHBondContact O-N 3.36Å
821A53.9Low63.8Low16 Ų1680.9 Ų80.913%0.13248%0.475CS..  trans-71.566160.200000108.4F662 V665 R667 S819F662-A821 HydrophobicContact CD2-CB 4.4Å; F662-A821 HydrophobicContact CE2-CB 4.49Å; F662-A821 VanDerWaalsContact CE2-O 3.3Å; F662-A821 WeakPolarHBondContact CE2-O 3.35Å; F662-A821 WeakPolarHBondContact CZ-O 3.19Å; V665-A821 HydrophobicContact CB-CB 4.43Å; V665-A821 HydrophobicContact CG2-CB 4.43Å; R667-A821 PolarHBondContact NH2-O 3.22Å; S819-A821 PolarHBondContact O-N 3.43Å
822N64.2Low64.7Low79 Ų7981.5 Ų81.542%0.42248%0.479SS..  trans-79.5143.5174.9-75.4-28.7000109.4D820 L824D820-N822 PolarHBondContact O-N 3.36Å; N822-L824 PolarHBondContact O-N 2.86Å
823S72.9Confident66.2Low47 Ų4776.1 Ų76.133%0.32945%0.449SS..  trans-55134.3176.955.90000108.9T561 G825T561-S823 WeakPolarHBondContact O-CB 3.43Å; S823-G825 PolarHBondContact O-N 3.3Å
824L77.6Confident68Low33 Ų3373.8 Ų73.817%0.17343%0.434CS..BIsolated β-bridgetrans-63109.4179.9-98.169.6000108.9P562 L563 S564 N658 N822 V829P562-L824 PolarHBondContact O-N 3.04Å; L563-L824 HydrophobicContact CD2-CB 4.06Å; S564-L824 PolarHBondContact N-O 3.41Å; S564-L824 VanDerWaalsContact N-O 3.16Å; S564-L824 PolarHBondContact OG-O 3.2Å; N658-L824 HydrophobicContact CB-CD1 4.08Å; N658-L824 VanDerWaalsContact ND2-CD1 3.27Å; N658-L824 WeakPolarHBondContact ND2-CD1 3.02Å; N822-L824 PolarHBondContact O-N 2.86Å; L824-V829 HydrophobicContact CB-CG2 3.91Å; L824-V829 HydrophobicContact CD2-CG2 3.76Å; L824-V829 HydrophobicContact CG-CG2 4.15Å
825G81.3Confident70.2Confident21 Ų2175.7 Ų75.722%0.21644%0.438CS..  trans-80.1168.3176.900000112S823 E827 K828 V829S823-G825 PolarHBondContact O-N 3.3Å; G825-E827 PolarHBondContact O-N 3.47Å; G825-K828 PolarHBondContact O-N 2.91Å; G825-K828 VanDerWaalsContact O-N 3.09Å; G825-V829 PolarHBondContact O-N 3.27Å
826V82Confident72.6Confident51 Ų5171.6 Ų71.631%0.30941%0.411SS..Hα-helixtrans-58.7-34.7176.2-172.70000110.8P566 V567 Y570 K828 V829 G830P566-V826 HydrophobicContact CB-CG2 3.97Å; V567-V826 HydrophobicContact CG2-CB 4.41Å; V567-V826 HydrophobicContact CG2-CG2 3.76Å; Y570-V826 HydrophobicContact CD2-CG1 4.25Å; Y570-V826 HydrophobicContact CD2-CG2 3.77Å; Y570-V826 HydrophobicContact CE2-CB 4.35Å; Y570-V826 HydrophobicContact CE2-CG1 3.89Å; Y570-V826 HydrophobicContact CE2-CG2 3.45Å; Y570-V826 VanDerWaalsContact CE2-CG2 3.45Å; V826-K828 VanDerWaalsContact C-N 3.28Å; V826-K828 PolarHBondContact O-N 2.82Å; V826-V829 PolarHBondContact O-N 2.77Å; V826-G830 WeakPolarHBondContact O-CA 3.49Å; V826-G830 PolarHBondContact O-N 3.14Å
827E80.2Confident74.9Confident197 Ų19770 Ų7092%0.92140%0.398SS*.Hα-helixtrans-60-36.8177.4-63.5174.4-173.500112.5G825G825-E827 PolarHBondContact O-N 3.47Å
828K81.9Confident77.5Confident149 Ų14966.3 Ų66.365%0.64839%0.385SS*.Hα-helixtrans-83.1-30.3-179.2-63.8-170.5178.9-175.30113.1G825 V826G825-K828 PolarHBondContact O-N 2.91Å; G825-K828 VanDerWaalsContact O-N 3.09Å; V826-K828 VanDerWaalsContact C-N 3.28Å; V826-K828 PolarHBondContact O-N 2.82Å
829V86Confident80Confident11 Ų1161 Ų617%0.06735%0.347CS..Hα-helixtrans-107.7-5.6-173.6-169.30000112.8L824 G825 V826 G831 C832 F833L824-V829 HydrophobicContact CB-CG2 3.91Å; L824-V829 HydrophobicContact CD2-CG2 3.76Å; L824-V829 HydrophobicContact CG-CG2 4.15Å; G825-V829 PolarHBondContact O-N 3.27Å; V826-V829 PolarHBondContact O-N 2.77Å; V829-G831 PolarHBondContact O-N 3.44Å; V829-G831 VanDerWaalsContact O-N 3.13Å; V829-C832 HydrophobicContact CG1-CB 4.23Å; V829-C832 WeakPolarHBondContact O-CB 3.32Å; V829-C832 PolarHBondContact O-N 2.92Å; V829-F833 HydrophobicContact CG1-CE2 4.08Å
830G86.6Confident82.6Confident21 Ų2158.5 Ų58.522%0.21633%0.329CS..Hα-helixtrans-54.8-37.2-173.200000113.9V826 C832 F833 V834V826-G830 WeakPolarHBondContact O-CA 3.49Å; V826-G830 PolarHBondContact O-N 3.14Å; G830-C832 PolarHBondContact O-N 2.8Å; G830-F833 PolarHBondContact O-N 2.94Å; G830-F833 VanDerWaalsContact O-N 3.09Å; G830-V834 PolarHBondContact O-N 3Å; G830-V834 VanDerWaalsContact O-N 3.14Å
831G89.8Confident84.9Confident51 Ų5156.5 Ų56.553%0.52632%0.321SS..Hα-helixtrans-56.8-34.2176.900000113.7V829 V834 M835V829-G831 PolarHBondContact O-N 3.44Å; V829-G831 VanDerWaalsContact O-N 3.13Å; G831-V834 PolarHBondContact O-N 3.34Å; G831-M835 WeakPolarHBondContact O-CG 3.44Å; G831-M835 PolarHBondContact O-N 3.28Å
832C90.3Very high86.8Confident30 Ų3058.7 Ų58.720%0.20333%0.333CS..Hα-helixtrans-67.3-37.6178-57.50000112.2F647 V829 G830 L836F647-C832 HydrophobicContact CD2-CB 4.06Å; F647-C832 HydrophobicContact CE2-CB 4.1Å; V829-C832 HydrophobicContact CG1-CB 4.23Å; V829-C832 WeakPolarHBondContact O-CB 3.32Å; V829-C832 PolarHBondContact O-N 2.92Å; G830-C832 PolarHBondContact O-N 2.8Å; C832-L836 PolarHBondContact O-N 3.19Å
833F92.4Very high88.1Confident29 Ų2955 Ų5513%0.12731%0.313CS..Hα-helixtrans-70.3-38.6176.6-67.5-82.3000111.9V567 I571 A574 F647 V829 G830 L836 L837V567-F833 HydrophobicContact CG1-CZ 4.41Å; I571-F833 HydrophobicContact CG1-CE1 4.45Å; I571-F833 HydrophobicContact CG1-CZ 4.08Å; A574-F833 HydrophobicContact CB-CD1 4.44Å; A574-F833 HydrophobicContact CB-CE1 4.31Å; F647-F833 AromaticContact CE2-CD1 3.88Å; F647-F833 HydrophobicContact CE2-CD1 3.88Å; F647-F833 AromaticContact CE2-CE1 3.91Å; F647-F833 HydrophobicContact CE2-CE1 3.91Å; F647-F833 HydrophobicContact CE2-CG 4.23Å; F647-F833 HydrophobicContact CE2-CZ 4.28Å; F647-F833 AromaticContact CZ-CD1 3.91Å; F647-F833 HydrophobicContact CZ-CD1 3.91Å; F647-F833 AromaticContact CZ-CE1 3.53Å; F647-F833 HydrophobicContact CZ-CE1 3.53Å; F647-F833 AromaticContact CZ-CZ 3.99Å; F647-F833 HydrophobicContact CZ-CZ 3.99Å; V829-F833 HydrophobicContact CG1-CE2 4.08Å; G830-F833 PolarHBondContact O-N 2.94Å; G830-F833 VanDerWaalsContact O-N 3.09Å; F833-L836 WeakPolarHBondContact O-CB 3.17Å; F833-L836 PolarHBondContact O-N 3.11Å; F833-L837 PolarHBondContact O-N 3.48Å
834V91.7Very high89Confident80 Ų8056.3 Ų56.349%0.48532%0.316SS..Hα-helixtrans-62.7-43.6175.4176.50000110.7G830 G831 L836 L837 I838G830-V834 PolarHBondContact O-N 3Å; G830-V834 VanDerWaalsContact O-N 3.14Å; G831-V834 PolarHBondContact O-N 3.34Å; V834-L836 VanDerWaalsContact C-N 3.3Å; V834-L836 PolarHBondContact O-N 3.17Å; V834-L837 WeakPolarHBondContact O-CB 3.4Å; V834-L837 PolarHBondContact O-N 3.42Å; V834-I838 HydrophobicContact CG1-CD1 3.97Å; V834-I838 WeakPolarHBondContact O-CG1 3.43Å; V834-I838 PolarHBondContact O-N 3.25Å
835M91.6Very high89.7Confident99 Ų9960 Ų6049%0.48834%0.335SS..Hα-helixtrans-61.8-36.9176.3-72.1-61.9-74.200112.8F643 G831 I838 G839F643-M835 HydrophobicContact CE1-CE 4.46Å; G831-M835 WeakPolarHBondContact O-CG 3.44Å; G831-M835 PolarHBondContact O-N 3.28Å; M835-I838 PolarHBondContact O-N 3.14Å; M835-I838 HydrophobicContact SD-CD1 4.29Å; M835-G839 PolarHBondContact O-N 3.42Å
836L94.3Very high90.2Very high5 Ų561.1 Ų61.13%0.02634%0.338CS..Hα-helixtrans-63.9-47.1174.2-176.964.9000111.3A574 V578 W644 F647 C832 F833 V834 I838 G839 M840A574-L836 HydrophobicContact CB-CD2 3.95Å; V578-L836 HydrophobicContact CG2-CD1 3.98Å; V578-L836 HydrophobicContact CG2-CD2 3.82Å; V578-L836 HydrophobicContact CG2-CG 4.13Å; W644-L836 HydrophobicContact CE3-CD1 4.02Å; W644-L836 HydrophobicContact CE3-CD2 4.02Å; W644-L836 HydrophobicContact CZ3-CD2 3.99Å; F647-L836 HydrophobicContact CB-CD1 4.41Å; F647-L836 HydrophobicContact CD1-CD2 4.29Å; F647-L836 HydrophobicContact CD2-CB 4.44Å; F647-L836 HydrophobicContact CD2-CD2 4.39Å; F647-L836 HydrophobicContact CE1-CD2 4.5Å; F647-L836 HydrophobicContact CG-CD2 4.24Å; C832-L836 PolarHBondContact O-N 3.19Å; F833-L836 WeakPolarHBondContact O-CB 3.17Å; F833-L836 PolarHBondContact O-N 3.11Å; V834-L836 VanDerWaalsContact C-N 3.3Å; V834-L836 PolarHBondContact O-N 3.17Å; L836-I838 VanDerWaalsContact C-N 3.34Å; L836-I838 PolarHBondContact O-N 3.26Å; L836-G839 PolarHBondContact O-N 3.31Å; L836-G839 VanDerWaalsContact O-N 3.16Å; L836-M840 HydrophobicContact CG-CE 3.88Å; L836-M840 WeakPolarHBondContact O-CE 3.3Å; L836-M840 PolarHBondContact O-N 2.99Å
837L93.4Very high90.5Very high91 Ų9158.9 Ų58.948%0.47633%0.326SS..Hα-helixtrans-56.3-45.9175.8-78.3164.3000112M577 F833 V834 G839 M840 V841M577-L837 HydrophobicContact CE-CD2 3.88Å; F833-L837 PolarHBondContact O-N 3.48Å; V834-L837 WeakPolarHBondContact O-CB 3.4Å; V834-L837 PolarHBondContact O-N 3.42Å; L837-G839 PolarHBondContact O-N 2.66Å; L837-M840 HydrophobicContact CD2-CE 3.98Å; L837-M840 HydrophobicContact CG-CE 4.31Å; L837-M840 PolarHBondContact O-N 3.42Å; L837-V841 WeakPolarHBondContact O-CG2 3.43Å; L837-V841 PolarHBondContact O-N 2.8Å
838I93.5Very high90.8Very high84 Ų8454.6 Ų54.643%0.43131%0.308SS..Hα-helixtrans-59-47.6175.8-66.7166.5000110.4V834 M835 L836 M840 V841 V842V834-I838 HydrophobicContact CG1-CD1 3.97Å; V834-I838 WeakPolarHBondContact O-CG1 3.43Å; V834-I838 PolarHBondContact O-N 3.25Å; M835-I838 PolarHBondContact O-N 3.14Å; M835-I838 HydrophobicContact SD-CD1 4.29Å; L836-I838 VanDerWaalsContact C-N 3.34Å; L836-I838 PolarHBondContact O-N 3.26Å; I838-M840 VanDerWaalsContact C-N 3.3Å; I838-M840 PolarHBondContact O-N 3.27Å; I838-V841 PolarHBondContact O-N 3.03Å; I838-V842 HydrophobicContact CG2-CG2 4.37Å; I838-V842 WeakPolarHBondContact O-CG2 3.46Å; I838-V842 PolarHBondContact O-N 3.15Å
839G92.6Very high91.1Very high0 Ų053 Ų530%031%0.306CS..Hα-helixtrans-58.8-38.1178.300000113.6M835 L836 L837 S843M835-G839 PolarHBondContact O-N 3.42Å; L836-G839 PolarHBondContact O-N 3.31Å; L836-G839 VanDerWaalsContact O-N 3.16Å; L837-G839 PolarHBondContact O-N 2.66Å; G839-S843 WeakPolarHBondContact O-CB 3.24Å; G839-S843 PolarHBondContact O-N 2.95Å
840M93.6Very high91.2Very high6 Ų653.1 Ų53.13%0.0331%0.306CS..Hα-helixtrans-70.7-41.1176.4-72.9179.1-64.100112.9M577 V578 V581 L836 L837 I838 S843 L844M577-M840 HydrophobicContact CE-CE 3.07Å; M577-M840 HydrophobicContact CE-SD 3.78Å; M577-M840 HydrophobicContact SD-CE 3.36Å; M577-M840 WeakPolarHBondContact SD-CE 3.27Å; M577-M840 HydrophobicContact SD-SD 3.31Å; V578-M840 HydrophobicContact CB-SD 4.41Å; V578-M840 HydrophobicContact CG2-CE 4.45Å; V578-M840 HydrophobicContact CG2-SD 3.59Å; V578-M840 VanDerWaalsContact CG2-SD 3.59Å; V581-M840 HydrophobicContact CB-SD 4.38Å; V581-M840 HydrophobicContact CG1-CB 4.28Å; V581-M840 HydrophobicContact CG1-CG 4.3Å; V581-M840 HydrophobicContact CG2-SD 4.2Å; L836-M840 HydrophobicContact CG-CE 3.88Å; L836-M840 WeakPolarHBondContact O-CE 3.3Å; L836-M840 PolarHBondContact O-N 2.99Å; L837-M840 HydrophobicContact CD2-CE 3.98Å; L837-M840 HydrophobicContact CG-CE 4.31Å; L837-M840 PolarHBondContact O-N 3.42Å; I838-M840 VanDerWaalsContact C-N 3.3Å; I838-M840 PolarHBondContact O-N 3.27Å; M840-S843 PolarHBondContact O-N 3.11Å; M840-L844 WeakPolarHBondContact O-CG 3.24Å; M840-L844 PolarHBondContact O-N 2.97Å
841V93Very high91.2Very high86 Ų8652.9 Ų52.952%0.52130%0.299SS..Hα-helixtrans-62.4-45.4175.2172.80000110.5L837 I838 S843 L844 L845L837-V841 WeakPolarHBondContact O-CG2 3.43Å; L837-V841 PolarHBondContact O-N 2.8Å; I838-V841 PolarHBondContact O-N 3.03Å; V841-S843 VanDerWaalsContact C-N 3.32Å; V841-S843 PolarHBondContact O-N 2.8Å; V841-L844 PolarHBondContact O-N 2.68Å; V841-L845 HydrophobicContact CG1-CD1 4.26Å; V841-L845 WeakPolarHBondContact O-CG 3.39Å; V841-L845 PolarHBondContact O-N 2.86Å
842V93.2Very high90.9Very high63 Ų6353.5 Ų53.538%0.38229%0.292SS..Hα-helixtrans-60.1-43.9176.3172.30000110.8I838 L845 V846I838-V842 HydrophobicContact CG2-CG2 4.37Å; I838-V842 WeakPolarHBondContact O-CG2 3.46Å; I838-V842 PolarHBondContact O-N 3.15Å; V842-L845 PolarHBondContact O-N 3.06Å; V842-V846 HydrophobicContact CG1-CG2 4.47Å; V842-V846 WeakPolarHBondContact O-CG2 3.5Å; V842-V846 PolarHBondContact O-N 3.06Å
843S92.9Very high90.6Very high0 Ų054.6 Ų54.60%030%0.3CS..Hα-helixtrans-63.8-41.8176.8174.90000113.2S636 I640 G839 M840 V841 L845 V846 G847S636-S843 VanDerWaalsContact C-OG 3.32Å; S636-S843 WeakPolarHBondContact O-CB 3.46Å; S636-S843 PolarHBondContact O-OG 3.02Å; I640-S843 WeakPolarHBondContact CD1-OG 3.33Å; I640-S843 WeakPolarHBondContact CG1-OG 3.3Å; G839-S843 WeakPolarHBondContact O-CB 3.24Å; G839-S843 PolarHBondContact O-N 2.95Å; M840-S843 PolarHBondContact O-N 3.11Å; V841-S843 VanDerWaalsContact C-N 3.32Å; V841-S843 PolarHBondContact O-N 2.8Å; S843-L845 VanDerWaalsContact C-N 3.31Å; S843-L845 PolarHBondContact O-N 2.71Å; S843-V846 PolarHBondContact O-N 3.01Å; S843-G847 PolarHBondContact O-N 3.13Å
844L92Very high90.2Very high76 Ų7654.2 Ų54.240%0.39830%0.299SS..Hα-helixtrans-61-40.9176.2-77.8164.3000111.5V581 V585 M840 V841 G847 L848V581-L844 HydrophobicContact CG1-CD1 4.3Å; V581-L844 HydrophobicContact CG1-CD2 4.33Å; V581-L844 HydrophobicContact CG1-CG 4.16Å; V585-L844 HydrophobicContact CG2-CD2 3.51Å; V585-L844 HydrophobicContact CG2-CG 4.08Å; M840-L844 WeakPolarHBondContact O-CG 3.24Å; M840-L844 PolarHBondContact O-N 2.97Å; V841-L844 PolarHBondContact O-N 2.68Å; L844-G847 PolarHBondContact O-N 2.83Å; L844-L848 WeakPolarHBondContact O-CB 3.32Å; L844-L848 PolarHBondContact O-N 3.43Å
845L92Very high89.6Confident110 Ų11050.4 Ų50.458%0.57628%0.276SS*.Hα-helixtrans-65.1-43.9175.5-69.5172.6000111.9V841 V842 S843 L848 L849V841-L845 HydrophobicContact CG1-CD1 4.26Å; V841-L845 WeakPolarHBondContact O-CG 3.39Å; V841-L845 PolarHBondContact O-N 2.86Å; V842-L845 PolarHBondContact O-N 3.06Å; S843-L845 VanDerWaalsContact C-N 3.31Å; S843-L845 PolarHBondContact O-N 2.71Å; L845-L848 PolarHBondContact O-N 3.1Å; L845-L849 WeakPolarHBondContact O-CB 3.48Å; L845-L849 PolarHBondContact O-N 2.9Å
846V91.3Very high89.2Confident44 Ų4453 Ų5327%0.26728%0.282SS..Hα-helixtrans-64.8-41.8175.71740000110.8I639 V842 S843 L849 E850I639-V846 HydrophobicContact CD1-CB 4.36Å; I639-V846 HydrophobicContact CD1-CG1 4.3Å; I639-V846 HydrophobicContact CD1-CG2 4.04Å; V842-V846 HydrophobicContact CG1-CG2 4.47Å; V842-V846 WeakPolarHBondContact O-CG2 3.5Å; V842-V846 PolarHBondContact O-N 3.06Å; S843-V846 PolarHBondContact O-N 3.01Å; V846-L849 PolarHBondContact O-N 2.85Å; V846-E850 HydrophobicContact CG1-CG 4.34Å; V846-E850 WeakPolarHBondContact O-CB 3.48Å; V846-E850 VanDerWaalsContact O-CG 3.31Å; V846-E850 WeakPolarHBondContact O-CG 3.43Å; V846-E850 PolarHBondContact O-N 3.4Å
847G88.3Confident88.5Confident5 Ų560.2 Ų60.25%0.05231%0.308CS..Hα-helixtrans-63.7-40.1176.600000112.5S843 L844 E850 F851S843-G847 PolarHBondContact O-N 3.13Å; L844-G847 PolarHBondContact O-N 2.83Å; G847-E850 PolarHBondContact O-N 2.97Å; G847-F851 WeakPolarHBondContact O-CB 3.29Å; G847-F851 PolarHBondContact O-N 2.89Å
848L87.5Confident87.8Confident107 Ų10757.6 Ų57.656%0.5629%0.292SS*.Hα-helixtrans-64.1-41.5173.2-176.665.5000111.4L844 L845 F851 V852L844-L848 WeakPolarHBondContact O-CB 3.32Å; L844-L848 PolarHBondContact O-N 3.43Å; L845-L848 PolarHBondContact O-N 3.1Å; L848-F851 PolarHBondContact O-N 3.42Å; L848-V852 WeakPolarHBondContact O-CG2 3.17Å; L848-V852 PolarHBondContact O-N 3.08Å
849L88.1Confident87Confident114 Ų11455 Ų5560%0.59728%0.28SS*.Hα-helixtrans-67.3-41.1176.9-170.7133.9000111.6L845 V846 F851 V852 C853L845-L849 WeakPolarHBondContact O-CB 3.48Å; L845-L849 PolarHBondContact O-N 2.9Å; V846-L849 PolarHBondContact O-N 2.85Å; L849-F851 VanDerWaalsContact C-N 3.33Å; L849-F851 PolarHBondContact O-N 3.44Å; L849-V852 PolarHBondContact O-N 3.46Å; L849-C853 WeakPolarHBondContact O-CB 3.2Å; L849-C853 PolarHBondContact O-N 2.84Å; L849-C853 PolarHBondContact O-SG 2.78Å
850E87.2Confident86.2Confident15 Ų1558.6 Ų58.67%0.0731%0.31CS..Hα-helixtrans-57.9-45.4172.7-76.2176.1170.100111.2S589 Y591 T635 S636 V846 G847 N854S589-E850 PolarHBondContact OG-OE2 2.98Å; Y591-E850 HydrophobicContact CD2-CB 4.43Å; Y591-E850 HydrophobicContact CD2-CG 4.29Å; Y591-E850 HydrophobicContact CE2-CB 4.11Å; Y591-E850 HydrophobicContact CE2-CG 4.01Å; T635-E850 VanDerWaalsContact CB-OE1 3.23Å; T635-E850 WeakPolarHBondContact CB-OE1 3.36Å; T635-E850 PolarHBondContact N-OE1 3.01Å; S636-E850 WeakPolarHBondContact CB-OE2 3.35Å; S636-E850 PolarHBondContact N-OE1 2.83Å; S636-E850 VanDerWaalsContact N-OE1 3.16Å; S636-E850 PolarHBondContact OG-OE2 2.76Å; V846-E850 HydrophobicContact CG1-CG 4.34Å; V846-E850 WeakPolarHBondContact O-CB 3.48Å; V846-E850 VanDerWaalsContact O-CG 3.31Å; V846-E850 WeakPolarHBondContact O-CG 3.43Å; V846-E850 PolarHBondContact O-N 3.4Å; G847-E850 PolarHBondContact O-N 2.97Å; E850-N854 VanDerWaalsContact O-CB 3.27Å; E850-N854 WeakPolarHBondContact O-CB 3.46Å; E850-N854 PolarHBondContact O-N 3.37Å
851F85.8Confident85.4Confident16 Ų1663.5 Ų63.57%0.0734%0.34CS..Hα-helixtrans-62.1-51177.8179.6-95.8000111.9F588 G847 L848 L849 N854 A855 I870 D873 F874F588-F851 HydrophobicContact CD1-CD2 4.31Å; F588-F851 HydrophobicContact CD1-CE2 4.2Å; F588-F851 WeakPolarHBondContact O-CD2 3.27Å; G847-F851 WeakPolarHBondContact O-CB 3.29Å; G847-F851 PolarHBondContact O-N 2.89Å; L848-F851 PolarHBondContact O-N 3.42Å; L849-F851 VanDerWaalsContact C-N 3.33Å; L849-F851 PolarHBondContact O-N 3.44Å; F851-N854 PolarHBondContact O-N 3.44Å; F851-A855 PolarHBondContact O-N 3.01Å; F851-I870 HydrophobicContact CE1-CG2 4.18Å; F851-D873 HydrophobicContact CD2-CB 4.49Å; F851-D873 HydrophobicContact CE2-CB 3.58Å; F851-D873 HydrophobicContact CZ-CB 3.74Å; F851-F874 HydrophobicContact CZ-CB 4.12Å
852V84.1Confident84.4Confident63 Ų6363 Ų6338%0.38233%0.331SS..Hα-helixtrans-66-42.1179.9174.20000111.7L848 L849 N854 A855 Y856L848-V852 WeakPolarHBondContact O-CG2 3.17Å; L848-V852 PolarHBondContact O-N 3.08Å; L849-V852 PolarHBondContact O-N 3.46Å; V852-N854 VanDerWaalsContact C-N 3.34Å; V852-N854 PolarHBondContact O-N 3.31Å; V852-A855 PolarHBondContact O-N 2.84Å; V852-Y856 WeakPolarHBondContact O-CB 3.46Å; V852-Y856 PolarHBondContact O-N 3.28Å
853C84.2Confident83.4Confident53 Ų5369.3 Ų69.336%0.35835%0.353SS..Hα-helixtrans-65.2-36.8177-75.10000112.3L849 Y856 R857L849-C853 WeakPolarHBondContact O-CB 3.2Å; L849-C853 PolarHBondContact O-N 2.84Å; L849-C853 PolarHBondContact O-SG 2.78Å; C853-Y856 PolarHBondContact O-N 3.06Å; C853-R857 WeakPolarHBondContact O-CG 3.38Å; C853-R857 PolarHBondContact O-N 3.11Å
854N83.2Confident82.4Confident21 Ų2172.6 Ų72.611%0.11237%0.368CS..Hα-helixtrans-65.5-47.1173.9175.566.6000111.5P590 E850 F851 V852 Y856 R857 R858 D873P590-N854 HydrophobicContact CB-CB 4.26Å; P590-N854 HydrophobicContact CG-CB 3.61Å; E850-N854 VanDerWaalsContact O-CB 3.27Å; E850-N854 WeakPolarHBondContact O-CB 3.46Å; E850-N854 PolarHBondContact O-N 3.37Å; F851-N854 PolarHBondContact O-N 3.44Å; V852-N854 VanDerWaalsContact C-N 3.34Å; V852-N854 PolarHBondContact O-N 3.31Å; N854-Y856 VanDerWaalsContact C-N 3.26Å; N854-Y856 PolarHBondContact O-N 3.3Å; N854-R857 PolarHBondContact O-N 3Å; N854-R857 VanDerWaalsContact O-N 3.13Å; N854-R858 PolarHBondContact ND2-NE 2.96Å; N854-R858 VanDerWaalsContact ND2-NE 3.18Å; N854-R858 WeakPolarHBondContact O-CG 3.28Å; N854-R858 PolarHBondContact O-N 3.43Å; N854-R858 PolarHBondContact OD1-NE 3.45Å; N854-D873 PolarHBondContact ND2-OD2 3.39Å
855A80.9Confident81.5Confident0 Ų072.5 Ų72.50%037%0.374CS..Hα-helixtrans-57.3-42.3174.800000111.1F851 V852 R858 V859 I870F851-A855 PolarHBondContact O-N 3.01Å; V852-A855 PolarHBondContact O-N 2.84Å; A855-R858 PolarHBondContact O-N 3.37Å; A855-V859 VanDerWaalsContact O-CG2 3.27Å; A855-V859 WeakPolarHBondContact O-CG2 2.93Å; A855-V859 PolarHBondContact O-N 2.96Å; A855-I870 HydrophobicContact CB-CG1 3.75Å
856Y82.2Confident80.6Confident154 Ų15470.7 Ų70.760%0.60437%0.365SS*.Hα-helixtrans-63.4-41.8175.5-172.4-94.6000113.1V852 C853 N854 R858 V859 A860 L866V852-Y856 WeakPolarHBondContact O-CB 3.46Å; V852-Y856 PolarHBondContact O-N 3.28Å; C853-Y856 PolarHBondContact O-N 3.06Å; N854-Y856 VanDerWaalsContact C-N 3.26Å; N854-Y856 PolarHBondContact O-N 3.3Å; Y856-R858 VanDerWaalsContact C-N 3.32Å; Y856-R858 PolarHBondContact O-N 3.4Å; Y856-V859 WeakPolarHBondContact O-CB 3.48Å; Y856-V859 PolarHBondContact O-N 3.5Å; Y856-A860 PolarHBondContact O-N 2.78Å; Y856-A860 VanDerWaalsContact O-N 3.08Å; Y856-L866 HydrophobicContact CD2-CD1 3.86Å
857R80.5Confident79.7Confident156 Ų15670.7 Ų70.759%0.58936%0.362SS*.Hα-helixtrans-64.5-36.1174.7-75.6-178.3-169.71714.5112.3Y591 C853 N854 A860 T861Y591-R857 PolarHBondContact OH-NH1 3.29Å; C853-R857 WeakPolarHBondContact O-CG 3.38Å; C853-R857 PolarHBondContact O-N 3.11Å; N854-R857 PolarHBondContact O-N 3Å; N854-R857 VanDerWaalsContact O-N 3.13Å; R857-A860 PolarHBondContact O-N 3.45Å; R857-T861 PolarHBondContact O-N 2.9Å; R857-T861 PolarHBondContact O-OG1 3.27Å
858R77.4Confident79Confident37 Ų3773.2 Ų73.214%0.1437%0.372CS..Hα-helixtrans-69.1-38.5175.9-72.5177.6-178.8-131.9-6.3112.3N854 A855 Y856 A860 T861 K862 E869 D873N854-R858 PolarHBondContact ND2-NE 2.96Å; N854-R858 VanDerWaalsContact ND2-NE 3.18Å; N854-R858 WeakPolarHBondContact O-CG 3.28Å; N854-R858 PolarHBondContact O-N 3.43Å; N854-R858 PolarHBondContact OD1-NE 3.45Å; A855-R858 PolarHBondContact O-N 3.37Å; Y856-R858 VanDerWaalsContact C-N 3.32Å; Y856-R858 PolarHBondContact O-N 3.4Å; R858-A860 VanDerWaalsContact C-N 3.33Å; R858-A860 PolarHBondContact O-N 3.22Å; R858-T861 WeakPolarHBondContact CA-OG1 3.35Å; R858-T861 PolarHBondContact O-N 2.93Å; R858-T861 PolarHBondContact O-OG1 3.39Å; R858-K862 WeakPolarHBondContact O-CB 3.25Å; R858-K862 PolarHBondContact O-N 3.27Å; R858-E869 HydrophobicContact CB-CG 3.71Å; R858-E869 WeakPolarHBondContact CB-OE1 3.45Å; R858-E869 WeakPolarHBondContact CD-OE1 3.32Å; R858-D873 IonicContact CZ-OD1 2.63Å; R858-D873 IonicContact NH1-OD1 3.55Å; R858-D873 PolarHBondContact NH1-OD1 2.86Å
859V77.3Confident78.4Confident30 Ų3068.1 Ų68.118%0.18235%0.346CS..Hα-helixtrans-58-46.5170.6166.90000111.1A855 Y856 T861 K863 H864 L866 E869A855-V859 VanDerWaalsContact O-CG2 3.27Å; A855-V859 WeakPolarHBondContact O-CG2 2.93Å; A855-V859 PolarHBondContact O-N 2.96Å; Y856-V859 WeakPolarHBondContact O-CB 3.48Å; Y856-V859 PolarHBondContact O-N 3.5Å; V859-T861 PolarHBondContact O-N 2.98Å; V859-K863 WeakPolarHBondContact O-CA 3.41Å; V859-K863 PolarHBondContact O-N 3.45Å; V859-H864 WeakPolarHBondContact CG1-O 3.5Å; V859-L866 HydrophobicContact CG2-CB 4.06Å; V859-E869 HydrophobicContact CG2-CB 3.89Å; V859-E869 HydrophobicContact CG2-CG 4.36Å
860A76.3Confident77.9Confident75 Ų7563.6 Ų63.662%0.6232%0.322SS*.Hα-helixtrans-63.2-29.7179.800000113.3Y856 R857 R858Y856-A860 PolarHBondContact O-N 2.78Å; Y856-A860 VanDerWaalsContact O-N 3.08Å; R857-A860 PolarHBondContact O-N 3.45Å; R858-A860 VanDerWaalsContact C-N 3.33Å; R858-A860 PolarHBondContact O-N 3.22Å
861T75.3Confident77.3Confident108 Ų10863.2 Ų63.266%0.66332%0.321SS*.Hα-helixtrans-91-44.1-178.742.90000113.1R857 R858 V859R857-T861 PolarHBondContact O-N 2.9Å; R857-T861 PolarHBondContact O-OG1 3.27Å; R858-T861 WeakPolarHBondContact CA-OG1 3.35Å; R858-T861 PolarHBondContact O-N 2.93Å; R858-T861 PolarHBondContact O-OG1 3.39Å; V859-T861 PolarHBondContact O-N 2.98Å
862K73.3Confident76.7Confident77 Ų7763.8 Ų63.834%0.33532%0.323SS..Hα-helixtrans-96.3-8.8-174.3-64.4179172.9167.50114.9R858 H864 D890R858-K862 WeakPolarHBondContact O-CB 3.25Å; R858-K862 PolarHBondContact O-N 3.27Å; K862-H864 VanDerWaalsContact C-N 3.29Å; K862-H864 VanDerWaalsContact CB-CD2 3.5Å; K862-H864 WeakPolarHBondContact CB-CD2 3.43Å; K862-H864 PolarHBondContact O-N 3.13Å; K862-D890 IonicContact NZ-OD1 2.95Å; K862-D890 PolarHBondContact NZ-OD1 2.92Å; K862-D890 IonicContact NZ-OD2 3.11Å; K862-D890 PolarHBondContact NZ-OD2 3.39Å
863K72.4Confident76.5Confident194 Ų19461.2 Ų61.284%0.84331%0.307SS*.  trans60.825.3-179.2-58.4-177.4178.3178.30115.6V859V859-K863 WeakPolarHBondContact O-CA 3.41Å; V859-K863 PolarHBondContact O-N 3.45Å
864H70.6Confident76.2Confident69 Ų6960.5 Ų60.532%0.31930%0.298SS..  trans-81.5163.4170.3-65.4-67.5000112.1V859 K862 E868V859-H864 WeakPolarHBondContact CG1-O 3.5Å; K862-H864 VanDerWaalsContact C-N 3.29Å; K862-H864 VanDerWaalsContact CB-CD2 3.5Å; K862-H864 WeakPolarHBondContact CB-CD2 3.43Å; K862-H864 PolarHBondContact O-N 3.13Å; H864-E868 IonicContact ND1-OE2 3.46Å
865S74.4Confident75.8Confident74 Ų7460.6 Ų60.652%0.51730%0.297SS..  trans-68.4141.7172.3177.20000110.8H867 E868 E869S865-H867 PolarHBondContact O-N 3.27Å; S865-E868 WeakPolarHBondContact O-CB 3.43Å; S865-E868 PolarHBondContact O-N 3.45Å; S865-E869 PolarHBondContact O-N 3.44Å; S865-E869 VanDerWaalsContact O-N 3.07Å
866L72.4Confident75.6Confident72 Ų7261.4 Ų61.438%0.37730%0.3SS..Hα-helixtrans-57.3-36.1-178.9-179.9136.1000113.4Y856 V859 E868 I870Y856-L866 HydrophobicContact CD2-CD1 3.86Å; V859-L866 HydrophobicContact CG2-CB 4.06Å; L866-E868 VanDerWaalsContact C-N 3.35Å; L866-I870 HydrophobicContact CD2-CD1 3.47Å; L866-I870 VanDerWaalsContact CD2-CD1 3.47Å; L866-I870 HydrophobicContact CD2-CG1 4.45Å; L866-I870 HydrophobicContact CG-CD1 4Å; L866-I870 WeakPolarHBondContact O-CB 3.49Å; L866-I870 VanDerWaalsContact O-CG1 3.27Å; L866-I870 WeakPolarHBondContact O-CG1 3.49Å; L866-I870 PolarHBondContact O-N 3.3Å
867H71.8Confident75.4Confident45 Ų4554.3 Ų54.321%0.20827%0.273CS..Hα-helixtrans-66.2-38.2176.4162.9-74.1000112.4S865 A871 S913 F914 S917S865-H867 PolarHBondContact O-N 3.27Å; H867-A871 WeakPolarHBondContact O-CB 3.39Å; H867-A871 PolarHBondContact O-N 3.23Å; H867-S913 PolarHBondContact NE2-O 2.7Å; H867-S913 PolarHBondContact NE2-OG 2.98Å; H867-F914 HydrophobicContact CB-CD2 4.39Å; H867-F914 WeakPolarHBondContact CD2-CA 3.39Å; H867-F914 AromaticContact CD2-CD2 3.44Å; H867-F914 VanDerWaalsContact CD2-CD2 3.44Å; H867-F914 WeakPolarHBondContact CD2-CD2 3.35Å; H867-F914 WeakPolarHBondContact NE2-CA 3.33Å; H867-F914 PolarHBondContact NE2-N 2.97Å; H867-S917 WeakPolarHBondContact CE1-CB 3.2Å; H867-S917 PolarHBondContact CE1-OG 2.81Å; H867-S917 PolarHBondContact ND1-OG 2.95Å; H867-S917 PolarHBondContact NE2-OG 3.36Å
868E73.5Confident75.2Confident57 Ų5751.9 Ų51.927%0.26627%0.269SS..Hα-helixtrans-68.8-42.7178.9-166.6-175.7172.100110.5H864 S865 L866 A871 R872 L894H864-E868 IonicContact ND1-OE2 3.46Å; S865-E868 WeakPolarHBondContact O-CB 3.43Å; S865-E868 PolarHBondContact O-N 3.45Å; L866-E868 VanDerWaalsContact C-N 3.35Å; E868-A871 PolarHBondContact O-N 3.42Å; E868-R872 PolarHBondContact O-N 2.91Å; E868-R872 IonicContact OE1-CZ 3.75Å; E868-R872 IonicContact OE1-NH1 4Å; E868-R872 PolarHBondContact OE1-NH1 2.93Å; E868-R872 IonicContact OE1-NH2 4Å; E868-R872 PolarHBondContact OE1-NH2 3.4Å; E868-L894 HydrophobicContact CG-CD1 3.47Å; E868-L894 VanDerWaalsContact CG-CD1 3.47Å
869E75.7Confident74.8Confident1 Ų151.8 Ų51.81%0.00528%0.276CS..Hα-helixtrans-70.1-40.2179.8-159.163.6-169.300112.2R858 V859 S865 A871 R872 D873R858-E869 HydrophobicContact CB-CG 3.71Å; R858-E869 WeakPolarHBondContact CB-OE1 3.45Å; R858-E869 WeakPolarHBondContact CD-OE1 3.32Å; V859-E869 HydrophobicContact CG2-CB 3.89Å; V859-E869 HydrophobicContact CG2-CG 4.36Å; S865-E869 PolarHBondContact O-N 3.44Å; S865-E869 VanDerWaalsContact O-N 3.07Å; E869-A871 VanDerWaalsContact C-N 3.31Å; E869-A871 PolarHBondContact O-N 2.91Å; E869-R872 PolarHBondContact O-N 3.46Å; E869-R872 IonicContact OE2-NH1 3.38Å; E869-R872 PolarHBondContact OE2-NH1 3.14Å; E869-D873 WeakPolarHBondContact O-CB 3.33Å; E869-D873 PolarHBondContact O-N 2.94Å
870I77.9Confident74.4Confident19 Ų1957 Ų5710%0.09731%0.313CS..Hα-helixtrans-60.3-42.4171.8-73.9174.3000110.7F851 A855 L866 D873 F874 F914F851-I870 HydrophobicContact CE1-CG2 4.18Å; A855-I870 HydrophobicContact CB-CG1 3.75Å; L866-I870 HydrophobicContact CD2-CD1 3.47Å; L866-I870 VanDerWaalsContact CD2-CD1 3.47Å; L866-I870 HydrophobicContact CD2-CG1 4.45Å; L866-I870 HydrophobicContact CG-CD1 4Å; L866-I870 WeakPolarHBondContact O-CB 3.49Å; L866-I870 VanDerWaalsContact O-CG1 3.27Å; L866-I870 WeakPolarHBondContact O-CG1 3.49Å; L866-I870 PolarHBondContact O-N 3.3Å; I870-D873 PolarHBondContact O-N 3.45Å; I870-F874 WeakPolarHBondContact O-CB 3.46Å; I870-F874 PolarHBondContact O-N 2.85Å; I870-F914 HydrophobicContact CG2-CE2 4.02Å; I870-F914 HydrophobicContact CG2-CZ 4.11Å
871A73.8Confident74.3Confident6 Ų656.4 Ų56.45%0.0530%0.304CS..Hα-helixtrans-65.4-38.7177.700000112H867 E868 E869 R875H867-A871 WeakPolarHBondContact O-CB 3.39Å; H867-A871 PolarHBondContact O-N 3.23Å; E868-A871 PolarHBondContact O-N 3.42Å; E869-A871 VanDerWaalsContact C-N 3.31Å; E869-A871 PolarHBondContact O-N 2.91Å; A871-R875 WeakPolarHBondContact O-CB 3.35Å; A871-R875 PolarHBondContact O-N 3.43Å
872R74.3Confident74.2Confident28 Ų2853.8 Ų53.811%0.10629%0.29CS..Hα-helixtrans-64.1-51.5172.9-76.4-165.9-17698.38.2112.1E868 E869 F874 R875 F876 L894E868-R872 PolarHBondContact O-N 2.91Å; E868-R872 IonicContact OE1-CZ 3.75Å; E868-R872 IonicContact OE1-NH1 4Å; E868-R872 PolarHBondContact OE1-NH1 2.93Å; E868-R872 IonicContact OE1-NH2 4Å; E868-R872 PolarHBondContact OE1-NH2 3.4Å; E869-R872 PolarHBondContact O-N 3.46Å; E869-R872 IonicContact OE2-NH1 3.38Å; E869-R872 PolarHBondContact OE2-NH1 3.14Å; R872-F874 VanDerWaalsContact C-N 3.26Å; R872-F874 PolarHBondContact O-N 3.34Å; R872-R875 WeakPolarHBondContact O-CB 3.48Å; R872-R875 PolarHBondContact O-N 2.99Å; R872-F876 WeakPolarHBondContact O-CB 3.5Å; R872-F876 PolarHBondContact O-N 2.98Å; R872-L894 HydrophobicContact CG-CD1 3.91Å
873D78.1Confident74.2Confident9 Ų953.3 Ų53.35%0.04829%0.294CS..Hα-helixtrans-63.9-35.3-179.6-83-4.5000111F851 N854 R858 E869 I870 F876 S877F851-D873 HydrophobicContact CD2-CB 4.49Å; F851-D873 HydrophobicContact CE2-CB 3.58Å; F851-D873 HydrophobicContact CZ-CB 3.74Å; N854-D873 PolarHBondContact ND2-OD2 3.39Å; R858-D873 IonicContact CZ-OD1 2.63Å; R858-D873 IonicContact NH1-OD1 3.55Å; R858-D873 PolarHBondContact NH1-OD1 2.86Å; E869-D873 WeakPolarHBondContact O-CB 3.33Å; E869-D873 PolarHBondContact O-N 2.94Å; I870-D873 PolarHBondContact O-N 3.45Å; D873-F876 WeakPolarHBondContact O-CB 3.26Å; D873-F876 PolarHBondContact O-N 2.72Å; D873-S877 WeakPolarHBondContact O-CB 3.48Å; D873-S877 PolarHBondContact O-N 3.22Å; D873-S877 PolarHBondContact O-OG 3.17Å
874F78.1Confident74.3Confident39 Ų3945.2 Ų45.217%0.17126%0.258CS..Hα-helixtrans-65.6-45.8174.7-176.8-98.3000111.6F588 F851 I870 R872 F876 S877 M878 L918F588-F874 AromaticContact CE1-CD2 3.71Å; F588-F874 HydrophobicContact CE1-CD2 3.71Å; F588-F874 AromaticContact CE1-CE2 3.89Å; F588-F874 HydrophobicContact CE1-CE2 3.89Å; F588-F874 HydrophobicContact CZ-CD2 4.33Å; F588-F874 HydrophobicContact CZ-CE2 4.02Å; F851-F874 HydrophobicContact CZ-CB 4.12Å; I870-F874 WeakPolarHBondContact O-CB 3.46Å; I870-F874 PolarHBondContact O-N 2.85Å; R872-F874 VanDerWaalsContact C-N 3.26Å; R872-F874 PolarHBondContact O-N 3.34Å; F874-F876 VanDerWaalsContact C-N 3.29Å; F874-F876 PolarHBondContact O-N 3.08Å; F874-S877 PolarHBondContact O-N 3.16Å; F874-M878 HydrophobicContact CD1-CG 4.42Å; F874-M878 HydrophobicContact CD1-SD 4.39Å; F874-M878 HydrophobicContact CE1-CE 3.89Å; F874-M878 HydrophobicContact CE1-CG 4Å; F874-M878 HydrophobicContact CE1-SD 3.47Å; F874-M878 WeakPolarHBondContact CE1-SD 3.46Å; F874-M878 HydrophobicContact CE2-CE 3.89Å; F874-M878 HydrophobicContact CE2-CG 4.4Å; F874-M878 HydrophobicContact CE2-SD 4.38Å; F874-M878 HydrophobicContact CZ-CE 3.22Å; F874-M878 HydrophobicContact CZ-CG 4.01Å; F874-M878 HydrophobicContact CZ-SD 3.5Å; F874-M878 WeakPolarHBondContact CZ-SD 3.33Å; F874-M878 WeakPolarHBondContact O-CB 3.1Å; F874-M878 PolarHBondContact O-N 3.48Å; F874-L918 HydrophobicContact CB-CD2 4.35Å; F874-L918 HydrophobicContact CD1-CD2 3.61Å; F874-L918 HydrophobicContact CD1-CG 4.47Å; F874-L918 HydrophobicContact CD2-CD2 3.89Å; F874-L918 HydrophobicContact CE1-CD2 3.7Å; F874-L918 HydrophobicContact CE2-CD2 3.99Å; F874-L918 HydrophobicContact CG-CD2 3.68Å; F874-L918 HydrophobicContact CZ-CD2 3.86Å
875R75.8Confident74.4Confident23 Ų2343.8 Ų43.89%0.08726%0.255CS..Hα-helixtrans-60.8-41.4171.8-174.1-177.5-178.6-148.4-4.1111.7A871 R872 S877 M878 A879 R884 E889 M892 A921 L924 P925A871-R875 WeakPolarHBondContact O-CB 3.35Å; A871-R875 PolarHBondContact O-N 3.43Å; R872-R875 WeakPolarHBondContact O-CB 3.48Å; R872-R875 PolarHBondContact O-N 2.99Å; R875-S877 PolarHBondContact O-N 2.75Å; R875-M878 PolarHBondContact O-N 2.99Å; R875-A879 PolarHBondContact O-N 3.38Å; R875-R884 PolarHBondContact O-NH1 2.94Å; R875-E889 IonicContact CZ-OE1 3.01Å; R875-E889 IonicContact CZ-OE2 3.21Å; R875-E889 IonicContact NE-OE1 3.32Å; R875-E889 IonicContact NH1-OE1 3.74Å; R875-E889 PolarHBondContact NH1-OE1 3.49Å; R875-E889 IonicContact NH1-OE2 3.45Å; R875-E889 PolarHBondContact NH1-OE2 3.22Å; R875-M892 PolarHBondContact NH1-SD 2.93Å; R875-A921 HydrophobicContact CB-CB 4.05Å; R875-A921 WeakPolarHBondContact CD-O 3.48Å; R875-A921 WeakPolarHBondContact CG-O 3.29Å; R875-A921 PolarHBondContact NE-O 3.37Å; R875-L924 PolarHBondContact NH2-O 3.37Å; R875-P925 PolarHBondContact NH2-O 3.17Å
876F75.6Confident74.2Confident17 Ų1742.7 Ų42.78%0.07524%0.242CC..Hα-helixtrans-55.2-47.7178.5-172.8-92.9000109.8W593 V606 R872 D873 F874 R884 E889W593-F876 AromaticContact CD2-CE1 3.61Å; W593-F876 HydrophobicContact CD2-CE1 3.61Å; W593-F876 HydrophobicContact CD2-CZ 4.28Å; W593-F876 AromaticContact CE2-CE1 3.59Å; W593-F876 AromaticContact CE3-CE1 3.86Å; W593-F876 HydrophobicContact CE3-CE1 3.86Å; W593-F876 HydrophobicContact CE3-CZ 4.09Å; W593-F876 HydrophobicContact CG-CE1 4.06Å; W593-F876 HydrophobicContact CH2-CD1 4.41Å; W593-F876 AromaticContact CH2-CE1 3.8Å; W593-F876 HydrophobicContact CH2-CE1 3.8Å; W593-F876 HydrophobicContact CH2-CZ 4.21Å; W593-F876 HydrophobicContact CZ2-CD1 4.06Å; W593-F876 AromaticContact CZ2-CE1 3.68Å; W593-F876 HydrophobicContact CZ2-CE1 3.68Å; W593-F876 AromaticContact CZ3-CE1 3.97Å; W593-F876 HydrophobicContact CZ3-CE1 3.97Å; W593-F876 HydrophobicContact CZ3-CZ 4.08Å; V606-F876 HydrophobicContact CG2-CE1 4.25Å; V606-F876 HydrophobicContact CG2-CE2 4.45Å; V606-F876 HydrophobicContact CG2-CZ 3.51Å; R872-F876 WeakPolarHBondContact O-CB 3.5Å; R872-F876 PolarHBondContact O-N 2.98Å; D873-F876 WeakPolarHBondContact O-CB 3.26Å; D873-F876 PolarHBondContact O-N 2.72Å; F874-F876 VanDerWaalsContact C-N 3.29Å; F874-F876 PolarHBondContact O-N 3.08Å; F876-R884 VanDerWaalsContact C-NH1 3.29Å; F876-R884 HydrophobicContact CE2-CB 3.55Å; F876-R884 HydrophobicContact CE2-CG 4.23Å; F876-R884 HydrophobicContact CZ-CB 3.63Å; F876-R884 HydrophobicContact CZ-CG 4.27Å; F876-R884 PolarHBondContact O-NH1 2.96Å; F876-E889 HydrophobicContact CD2-CG 4.24Å
877S78.3Confident74Confident5 Ų541 Ų414%0.03524%0.239CC..Hα-helixtrans-70.4-43.5179.5-50.90000112.6R587 D873 F874 R875 A879R587-S877 WeakPolarHBondContact CD-O 3.38Å; R587-S877 WeakPolarHBondContact CG-O 3.42Å; R587-S877 PolarHBondContact NE-O 3.07Å; D873-S877 WeakPolarHBondContact O-CB 3.48Å; D873-S877 PolarHBondContact O-N 3.22Å; D873-S877 PolarHBondContact O-OG 3.17Å; F874-S877 PolarHBondContact O-N 3.16Å; R875-S877 PolarHBondContact O-N 2.75Å; S877-A879 PolarHBondContact O-N 2.89Å
878M75.9Confident73.7Confident104 Ų10439.8 Ų39.851%0.51224%0.237SC..Hα-helixtrans-75.7-16.7-173.5-88.4-150.8167.200116.1F874 R875F874-M878 HydrophobicContact CD1-CG 4.42Å; F874-M878 HydrophobicContact CD1-SD 4.39Å; F874-M878 HydrophobicContact CE1-CE 3.89Å; F874-M878 HydrophobicContact CE1-CG 4Å; F874-M878 HydrophobicContact CE1-SD 3.47Å; F874-M878 WeakPolarHBondContact CE1-SD 3.46Å; F874-M878 HydrophobicContact CE2-CE 3.89Å; F874-M878 HydrophobicContact CE2-CG 4.4Å; F874-M878 HydrophobicContact CE2-SD 4.38Å; F874-M878 HydrophobicContact CZ-CE 3.22Å; F874-M878 HydrophobicContact CZ-CG 4.01Å; F874-M878 HydrophobicContact CZ-SD 3.5Å; F874-M878 WeakPolarHBondContact CZ-SD 3.33Å; F874-M878 WeakPolarHBondContact O-CB 3.1Å; F874-M878 PolarHBondContact O-N 3.48Å; R875-M878 PolarHBondContact O-N 2.99Å
879A70.1Confident73.5Confident35 Ų3537.8 Ų37.829%0.28923%0.227SC..SBendtrans-63.1150.817900000111.9R587 R875 S877 S881R587-A879 PolarHBondContact NH2-O 3.17Å; R875-A879 PolarHBondContact O-N 3.38Å; S877-A879 PolarHBondContact O-N 2.89Å; A879-S881 VanDerWaalsContact C-N 3.32Å; A879-S881 PolarHBondContact O-N 2.85Å
880C68.1Low73.2Confident141 Ų14140.6 Ų40.695%0.95324%0.242SC*.SBendtrans-73.9-15.8-177.2-61.40000114.8
881S74.2Confident72.5Confident62 Ų6243.4 Ų43.443%0.43427%0.269SS..  trans-78.3128.9-173.9-176.30000113R587 A879 V883R587-S881 PolarHBondContact NH1-O 2.8Å; R587-S881 PolarHBondContact NH2-O 2.92Å; A879-S881 VanDerWaalsContact C-N 3.32Å; A879-S881 PolarHBondContact O-N 2.85Å; S881-V883 VanDerWaalsContact C-N 3.26Å; S881-V883 PolarHBondContact O-N 2.85Å; S881-V883 PolarHBondContact OG-N 2.86Å; S881-V883 PolarHBondContact OG-O 2.82Å
882S73Confident72Confident53 Ų5345.2 Ų45.237%0.37128%0.276SS..SBendtrans-71.7-16.2173.452.60000113.8E607 N608E607-S882 CarbonylContact C-O 3.51Å; E607-S882 VanDerWaalsContact CA-O 3.31Å; E607-S882 WeakPolarHBondContact CA-O 3.18Å; N608-S882 PolarHBondContact N-O 2.81Å; N608-S882 WeakPolarHBondContact O-CB 3.31Å
883V74.1Confident71.2Confident67 Ų6755.1 Ų55.141%0.40631%0.314SS..EExtended strand (participates in β ladder)trans-121.2128.6-179.4-175.70000109.3V605 V606 E607 S881V605-V883 HydrophobicContact CG1-CG1 3.45Å; V605-V883 VanDerWaalsContact CG1-CG1 3.45Å; V606-V883 WeakPolarHBondContact O-CA 2.88Å; E607-V883 HydrophobicContact CB-CG2 4.07Å; S881-V883 VanDerWaalsContact C-N 3.26Å; S881-V883 PolarHBondContact O-N 2.85Å; S881-V883 PolarHBondContact OG-N 2.86Å; S881-V883 PolarHBondContact OG-O 2.82Å
884R74.3Confident70.3Confident24 Ų2457 Ų579%0.09132%0.324CS..EExtended strand (participates in β ladder)trans-143.9143.9-175.9-65-161.567.9155.14.3112W593 V605 V606 R875 F876 E889W593-R884 HydrophobicContact CH2-CG 3.96Å; W593-R884 HydrophobicContact CZ3-CB 4.16Å; W593-R884 HydrophobicContact CZ3-CG 3.88Å; V605-R884 CarbonylContact C-O 3.24Å; V605-R884 WeakPolarHBondContact CA-O 3.39Å; V606-R884 WeakPolarHBondContact CG2-O 3.5Å; V606-R884 PolarHBondContact N-O 2.87Å; V606-R884 PolarHBondContact O-N 3.12Å; R875-R884 PolarHBondContact O-NH1 2.94Å; F876-R884 VanDerWaalsContact C-NH1 3.29Å; F876-R884 HydrophobicContact CE2-CB 3.55Å; F876-R884 HydrophobicContact CE2-CG 4.23Å; F876-R884 HydrophobicContact CZ-CB 3.63Å; F876-R884 HydrophobicContact CZ-CG 4.27Å; F876-R884 PolarHBondContact O-NH1 2.96Å; R884-E889 IonicContact CZ-OE1 3.12Å; R884-E889 IonicContact NH2-OE1 2.61Å; R884-E889 PolarHBondContact NH2-OE1 3.29Å; R884-E889 IonicContact NH2-OE2 2.77Å
885S72.6Confident69.3Low38 Ų3858.6 Ų58.627%0.26634%0.338SS..EExtended strand (participates in β ladder)trans-88.8126.5166.6172.20000109.9D604 A888D604-S885 CarbonylContact O-C 3.56Å; D604-S885 WeakPolarHBondContact O-CA 3.28Å; S885-A888 WeakPolarHBondContact OG-CB 3.48Å; S885-A888 PolarHBondContact OG-N 3.27Å; S885-A888 VanDerWaalsContact OG-N 3.16Å
886Q70.6Confident68.3Low51 Ų5162.9 Ų62.924%0.23837%0.368CS..Hα-helixtrans-72.4-43.3177.5-150.1157.454.600110.6D604 A888 E889 D890D604-Q886 PolarHBondContact O-N 2.86Å; Q886-A888 VanDerWaalsContact C-N 3.32Å; Q886-A888 PolarHBondContact O-N 2.84Å; Q886-E889 PolarHBondContact O-N 3.43Å; Q886-D890 PolarHBondContact O-N 3.31Å
887A68Low67.3Low37 Ų3767 Ų6731%0.30640%0.397SS..Hα-helixtrans-60.3-37.6174.100000113.6D604 E889 D890 A891D604-A887 HydrophobicContact CB-CB 3.75Å; D604-A887 WeakPolarHBondContact OD2-CB 3.4Å; A887-E889 VanDerWaalsContact C-N 3.28Å; A887-E889 PolarHBondContact O-N 2.91Å; A887-D890 PolarHBondContact O-N 2.87Å; A887-A891 VanDerWaalsContact O-CB 3.32Å; A887-A891 WeakPolarHBondContact O-CB 3.39Å; A887-A891 PolarHBondContact O-N 3.21Å
888A66.1Low65.8Low20 Ų2071.6 Ų71.617%0.16543%0.427CS..Hα-helixtrans-65.3-32.3179.100000112.3S885 Q886 P927S885-A888 WeakPolarHBondContact OG-CB 3.48Å; S885-A888 PolarHBondContact OG-N 3.27Å; S885-A888 VanDerWaalsContact OG-N 3.16Å; Q886-A888 VanDerWaalsContact C-N 3.32Å; Q886-A888 PolarHBondContact O-N 2.84Å; A888-P927 HydrophobicContact CB-CB 3.82Å; A888-P927 HydrophobicContact CB-CG 4.03Å; A888-P927 VanDerWaalsContact O-CB 3.27Å; A888-P927 WeakPolarHBondContact O-CB 3.4Å
889E69.2Low64.3Low15 Ų1571.8 Ų71.87%0.0744%0.438CS..Hα-helixtrans-79.4-34.7173.1-78.5-62.2-125.100113.9R875 F876 R884 Q886 A887 A891 M892 P927R875-E889 IonicContact CZ-OE1 3.01Å; R875-E889 IonicContact CZ-OE2 3.21Å; R875-E889 IonicContact NE-OE1 3.32Å; R875-E889 IonicContact NH1-OE1 3.74Å; R875-E889 PolarHBondContact NH1-OE1 3.49Å; R875-E889 IonicContact NH1-OE2 3.45Å; R875-E889 PolarHBondContact NH1-OE2 3.22Å; F876-E889 HydrophobicContact CD2-CG 4.24Å; R884-E889 IonicContact CZ-OE1 3.12Å; R884-E889 IonicContact NH2-OE1 2.61Å; R884-E889 PolarHBondContact NH2-OE1 3.29Å; R884-E889 IonicContact NH2-OE2 2.77Å; Q886-E889 PolarHBondContact O-N 3.43Å; A887-E889 VanDerWaalsContact C-N 3.28Å; A887-E889 PolarHBondContact O-N 2.91Å; E889-A891 VanDerWaalsContact C-N 3.31Å; E889-A891 PolarHBondContact O-N 3.42Å; E889-M892 PolarHBondContact O-N 3.05Å; E889-P927 HydrophobicContact CG-CG 4.22Å; E889-P927 WeakPolarHBondContact OE2-CD 3.41Å; E889-P927 VanDerWaalsContact OE2-CG 3.24Å; E889-P927 WeakPolarHBondContact OE2-CG 3.37Å
890D69.3Low63Low59 Ų5977.2 Ų77.232%0.31646%0.462SS..Hα-helixtrans-65.9-35.2175-70-35.4000112.2K862 Q886 A887 M892K862-D890 IonicContact NZ-OD1 2.95Å; K862-D890 PolarHBondContact NZ-OD1 2.92Å; K862-D890 IonicContact NZ-OD2 3.11Å; K862-D890 PolarHBondContact NZ-OD2 3.39Å; Q886-D890 PolarHBondContact O-N 3.31Å; A887-D890 PolarHBondContact O-N 2.87Å; D890-M892 PolarHBondContact O-N 2.91Å
891A63.9Low61.6Low79 Ų7977.6 Ų77.665%0.65345%0.454SS*.THydrogen-bonded Turntrans-71-16.9178.600000113.6A887 E889 R893A887-A891 VanDerWaalsContact O-CB 3.32Å; A887-A891 WeakPolarHBondContact O-CB 3.39Å; A887-A891 PolarHBondContact O-N 3.21Å; E889-A891 VanDerWaalsContact C-N 3.31Å; E889-A891 PolarHBondContact O-N 3.42Å; A891-R893 PolarHBondContact O-N 3.43Å
892M61.6Low59.9Low43 Ų4380.5 Ų80.521%0.21247%0.473CS..SBendtrans-79.6115.6-177.7-173165-82.500111R875 E889 D890 L894 P925 P927R875-M892 PolarHBondContact NH1-SD 2.93Å; E889-M892 PolarHBondContact O-N 3.05Å; D890-M892 PolarHBondContact O-N 2.91Å; M892-L894 PolarHBondContact O-N 2.75Å; M892-P925 WeakPolarHBondContact CE-O 3.47Å; M892-P927 HydrophobicContact CE-CB 3.96Å
893R58.3Low58.1Low237 Ų23785.6 Ų85.689%0.89450%0.495SS*.PPolyproline II helixtrans-70.2118.5171.7-72-173.2-175.6175.22.2109.9A891A891-R893 PolarHBondContact O-N 3.43Å
894L59.7Low56.3Low49 Ų4987.6 Ų87.626%0.25751%0.512SS..PPolyproline II helixtrans-67.5137.3170.2-73.1164.1000109.2E868 R872 M892 L924E868-L894 HydrophobicContact CG-CD1 3.47Å; E868-L894 VanDerWaalsContact CG-CD1 3.47Å; R872-L894 HydrophobicContact CG-CD1 3.91Å; M892-L894 PolarHBondContact O-N 2.75Å; L894-L924 HydrophobicContact CD2-CD1 3.38Å
895P57.4Low54.4Low71 Ų7192.6 Ų92.646%0.46155%0.551SS.*PPolyproline II helixtrans-61143.8172.724.3-30.9000110L924P895-L924 HydrophobicContact CG-CD2 4.05Å
896P55Low52.7Low113 Ų11393.6 Ų93.673%0.73457%0.567SS**PPolyproline II helixtrans-58.4145.3175.324.9-32.6000110
897P54.2Low51.1Low103 Ų103101.2 Ų101.267%0.66960%0.603SS**PPolyproline II helixtrans-55.5134.7176.522.8-31.7000109.1S899P897-S899 PolarHBondContact O-N 2.96Å
898P46.4Very low49.6Very low102 Ų102101.8 Ų101.866%0.66261%0.612SS**PPolyproline II helixtrans-55.8129.5-176.420-30.5000110L900P898-L900 PolarHBondContact O-N 2.94Å
899S44.4Very low48.2Very low108 Ų108109.8 Ų109.876%0.75565%0.646SS**PPolyproline II helixtrans-58.8122.7173.645.40000108.8P897 N901P897-S899 PolarHBondContact O-N 2.96Å; S899-N901 PolarHBondContact O-N 3.01Å
900L42.1Very low47Very low150 Ų150118 Ų11879%0.78569%0.685SS**SBendtrans-73.962.9-166.3-153.1103000112.1P898P898-L900 PolarHBondContact O-N 2.94Å
901N38.9Very low45.7Very low149 Ų149124.3 Ų124.380%0.79771%0.709SS**  trans-106.713.4177.4-83.52000114.3S899S899-N901 PolarHBondContact O-N 3.01Å
902C38.4Very low44.8Very low123 Ų123127.1 Ų127.183%0.83171%0.707SS**SBendtrans-13677.3171-78.80000109.9
903L35.7Very low44.2Very low160 Ų160128 Ų12884%0.83872%0.718SS**SBendtrans-177.1115.5147.9-96.9153.3000107.9S905L903-S905 PolarHBondContact O-N 3.21Å
904S36.5Very low43.6Very low109 Ų109121.3 Ų121.376%0.76270%0.695SS**  trans-59.6127.2-179.955.50000112.1
905S34.9Very low43.4Very low128 Ų128122.5 Ų122.590%0.89571%0.707SS**  trans39.495.8142.6-37.30000117.4L903L903-S905 PolarHBondContact O-N 3.21Å
906G37.2Very low43.1Very low59 Ų59121.3 Ų121.361%0.60870%0.703SS**  trans-173.1100.9164.700000110.6
907E36.6Very low43.1Very low211 Ų211117.1 Ų117.199%0.98668%0.677SS**  trans-50.3130.8-175.3-68.2173.3148.700112.9
908G36.1Very low43.1Very low49 Ų49114 Ų11451%0.50565%0.654SS.*  trans16668.1-177.500000110
909E36.1Very low43.6Very low188 Ų188112.4 Ų112.488%0.87965%0.65SS**  trans-66.2149.6179.3-77.9-178.2131.600112.7K911E909-K911 PolarHBondContact O-N 3.02Å
910Q44Very low44.1Very low188 Ų188114 Ų11488%0.87964%0.64SS**SBendtrans72.5-31.1170.8-82.3172.1-31.200121.7K912Q910-K912 PolarHBondContact O-N 3.29Å
911K42.8Very low44.6Very low191 Ų191107 Ų10783%0.8360%0.604SS**THydrogen-bonded Turntrans-73.2-22.6178.7-86.4-177178.51770115.1E909 S913E909-K911 PolarHBondContact O-N 3.02Å; K911-S913 PolarHBondContact O-N 3.33Å
912K44.9Very low45.3Very low138 Ų138103.5 Ų103.560%0.659%0.59SS**Hα-helixtrans-78.1-17.6-171.4-69.6178.2-179.8171.20115.3Q910 S915Q910-K912 PolarHBondContact O-N 3.29Å; K912-S915 PolarHBondContact O-OG 3.46Å; K912-S915 VanDerWaalsContact O-OG 3.05Å
913S48Very low45.9Very low63 Ų63102.4 Ų102.444%0.44158%0.582SS.*Hα-helixtrans-74.2-35.7179.3178.90000112.5H867 K911 A916 S917H867-S913 PolarHBondContact NE2-O 2.7Å; H867-S913 PolarHBondContact NE2-OG 2.98Å; K911-S913 PolarHBondContact O-N 3.33Å; S913-A916 PolarHBondContact O-N 3.39Å; S913-S917 PolarHBondContact O-N 3.2Å
914F47.6Very low46.7Very low96 Ų9696.2 Ų96.242%0.42155%0.55SS..Hα-helixtrans-65.9-42.9179.3-171-100.5000113.5H867 I870 A916 S917 L918H867-F914 HydrophobicContact CB-CD2 4.39Å; H867-F914 WeakPolarHBondContact CD2-CA 3.39Å; H867-F914 AromaticContact CD2-CD2 3.44Å; H867-F914 VanDerWaalsContact CD2-CD2 3.44Å; H867-F914 WeakPolarHBondContact CD2-CD2 3.35Å; H867-F914 WeakPolarHBondContact NE2-CA 3.33Å; H867-F914 PolarHBondContact NE2-N 2.97Å; I870-F914 HydrophobicContact CG2-CE2 4.02Å; I870-F914 HydrophobicContact CG2-CZ 4.11Å; F914-A916 VanDerWaalsContact C-N 3.26Å; F914-A916 PolarHBondContact O-N 3.13Å; F914-S917 PolarHBondContact O-OG 3.18Å; F914-S917 VanDerWaalsContact O-OG 3.11Å; F914-L918 HydrophobicContact CD1-CD1 3.67Å; F914-L918 HydrophobicContact CD2-CD1 4.05Å; F914-L918 HydrophobicContact CE1-CD1 3.22Å; F914-L918 HydrophobicContact CE2-CD1 3.63Å; F914-L918 HydrophobicContact CG-CD1 4.08Å; F914-L918 HydrophobicContact CZ-CD1 3.2Å; F914-L918 PolarHBondContact O-N 3.5Å
915S54.3Low47.2Very low74 Ų7495.7 Ų95.752%0.51754%0.543SS..Hα-helixtrans-63.4-34.9174.553.50000112.2K912 A919K912-S915 PolarHBondContact O-OG 3.46Å; K912-S915 VanDerWaalsContact O-OG 3.05Å; S915-A919 WeakPolarHBondContact O-CB 3.42Å; S915-A919 PolarHBondContact O-N 2.86Å
916A52.3Low48.1Very low45 Ų4593.4 Ų93.437%0.37253%0.532SS..Hα-helixtrans-69.8-41.5-178.100000112.8S913 F914 A919 Y920S913-A916 PolarHBondContact O-N 3.39Å; F914-A916 VanDerWaalsContact C-N 3.26Å; F914-A916 PolarHBondContact O-N 3.13Å; A916-A919 PolarHBondContact O-N 3.46Å; A916-Y920 PolarHBondContact O-N 3.37Å; A916-Y920 VanDerWaalsContact O-N 3.09Å
917S53.3Low48.8Very low25 Ų2592.3 Ų92.318%0.17551%0.514CS..Hα-helixtrans-70.7-41.7178.857.10000113.2H867 S913 F914 A919 Y920 A921H867-S917 WeakPolarHBondContact CE1-CB 3.2Å; H867-S917 PolarHBondContact CE1-OG 2.81Å; H867-S917 PolarHBondContact ND1-OG 2.95Å; H867-S917 PolarHBondContact NE2-OG 3.36Å; S913-S917 PolarHBondContact O-N 3.2Å; F914-S917 PolarHBondContact O-OG 3.18Å; F914-S917 VanDerWaalsContact O-OG 3.11Å; S917-A919 VanDerWaalsContact C-N 3.29Å; S917-A919 PolarHBondContact O-N 3.42Å; S917-Y920 PolarHBondContact O-N 3.11Å; S917-A921 WeakPolarHBondContact O-CB 3.49Å; S917-A921 PolarHBondContact O-N 3.34Å
918L55.4Low49.2Very low37 Ų3788.3 Ų88.319%0.19450%0.504CS..Hα-helixtrans-64.4-35.3174-94.6124.7000112F874 F914 Y920 P922F874-L918 HydrophobicContact CB-CD2 4.35Å; F874-L918 HydrophobicContact CD1-CD2 3.61Å; F874-L918 HydrophobicContact CD1-CG 4.47Å; F874-L918 HydrophobicContact CD2-CD2 3.89Å; F874-L918 HydrophobicContact CE1-CD2 3.7Å; F874-L918 HydrophobicContact CE2-CD2 3.99Å; F874-L918 HydrophobicContact CG-CD2 3.68Å; F874-L918 HydrophobicContact CZ-CD2 3.86Å; F914-L918 HydrophobicContact CD1-CD1 3.67Å; F914-L918 HydrophobicContact CD2-CD1 4.05Å; F914-L918 HydrophobicContact CE1-CD1 3.22Å; F914-L918 HydrophobicContact CE2-CD1 3.63Å; F914-L918 HydrophobicContact CG-CD1 4.08Å; F914-L918 HydrophobicContact CZ-CD1 3.2Å; F914-L918 PolarHBondContact O-N 3.5Å; L918-Y920 VanDerWaalsContact C-N 3.34Å; L918-P922 WeakPolarHBondContact O-CD 3.38Å
919A56.8Low49.6Very low69 Ų6990.8 Ų90.857%0.5751%0.514SS*.Hα-helixtrans-67.9-33.5175.400000112.6S915 A916 S917S915-A919 WeakPolarHBondContact O-CB 3.42Å; S915-A919 PolarHBondContact O-N 2.86Å; A916-A919 PolarHBondContact O-N 3.46Å; S917-A919 VanDerWaalsContact C-N 3.29Å; S917-A919 PolarHBondContact O-N 3.42Å
920Y54.2Low49.6Very low142 Ų14287.8 Ų87.856%0.55751%0.508SS*.Hα-helixtrans-82.9-27.2-179.6-119.6-87.5000113.9A916 S917 L918 C923A916-Y920 PolarHBondContact O-N 3.37Å; A916-Y920 VanDerWaalsContact O-N 3.09Å; S917-Y920 PolarHBondContact O-N 3.11Å; L918-Y920 VanDerWaalsContact C-N 3.34Å; Y920-C923 PolarHBondContact O-N 3.4Å
921A53Low49.1Very low4 Ų484.1 Ų84.13%0.03350%0.5CS..G310 helixtrans-50.2-45.5-175.500000114.7R875 S917 C923R875-A921 HydrophobicContact CB-CB 4.05Å; R875-A921 WeakPolarHBondContact CD-O 3.48Å; R875-A921 WeakPolarHBondContact CG-O 3.29Å; R875-A921 PolarHBondContact NE-O 3.37Å; S917-A921 WeakPolarHBondContact O-CB 3.49Å; S917-A921 PolarHBondContact O-N 3.34Å; A921-C923 VanDerWaalsContact C-N 3.26Å; A921-C923 PolarHBondContact O-N 3.01Å
922P54Low48.7Very low75 Ų7581.5 Ų81.549%0.48750%0.5SS..G310 helixtrans-68.7-20.3179.7-18.331.2000114.4L918L918-P922 WeakPolarHBondContact O-CD 3.38Å
923C51.1Low47.9Very low99 Ų9983.5 Ų83.567%0.66951%0.514SS*.G310 helixtrans-94.7-2.1-166-56.10000114.4Y920 A921Y920-C923 PolarHBondContact O-N 3.4Å; A921-C923 VanDerWaalsContact C-N 3.26Å; A921-C923 PolarHBondContact O-N 3.01Å
924L50.6Low46.9Very low31 Ų3187.3 Ų87.316%0.16253%0.529CS..SBendtrans-80.1142.4-179.6-73.7158.9000111R875 L894 P895R875-L924 PolarHBondContact NH2-O 3.37Å; L894-L924 HydrophobicContact CD2-CD1 3.38Å; P895-L924 HydrophobicContact CG-CD2 4.05Å
925P48.8Very low46.1Very low97 Ų9792.2 Ų92.263%0.6355%0.554SS**PPolyproline II helixtrans-61.6148.2-179.222.7-30.5000112R875 M892R875-P925 PolarHBondContact NH2-O 3.17Å; M892-P925 WeakPolarHBondContact CE-O 3.47Å
926A53.7Low44.8Very low80 Ų8095.2 Ų95.266%0.66156%0.564SS**PPolyproline II helixtrans-58.8139.6-179.900000111.5V928A926-V928 PolarHBondContact O-N 3.16Å
927P51Low43.8Very low36 Ų36100.3 Ų100.323%0.23458%0.58CS.*PPolyproline II helixtrans-68130.5177.630.8-37.4000110.4A888 E889 M892A888-P927 HydrophobicContact CB-CB 3.82Å; A888-P927 HydrophobicContact CB-CG 4.03Å; A888-P927 VanDerWaalsContact O-CB 3.27Å; A888-P927 WeakPolarHBondContact O-CB 3.4Å; E889-P927 HydrophobicContact CG-CG 4.22Å; E889-P927 WeakPolarHBondContact OE2-CD 3.41Å; E889-P927 VanDerWaalsContact OE2-CG 3.24Å; E889-P927 WeakPolarHBondContact OE2-CG 3.37Å; M892-P927 HydrophobicContact CE-CB 3.96Å
928V44.7Very low42.9Very low127 Ų127106.8 Ų106.877%0.7761%0.611SS**PPolyproline II helixtrans-79.7127.6178-1790000108.5A926 V930A926-V928 PolarHBondContact O-N 3.16Å; V928-V930 PolarHBondContact O-N 3.41Å
929S44Very low42.1Very low101 Ų101109.9 Ų109.971%0.70663%0.627SS**PPolyproline II helixtrans-60.3118.8176.5520000110.6
930V36.6Very low41.2Very low125 Ų125115.5 Ų115.576%0.75864%0.639SS**PPolyproline II helixtrans-70.8123.3169.6-174.60000107.7V928 V932V928-V930 PolarHBondContact O-N 3.41Å; V930-V932 PolarHBondContact O-N 2.93Å
931P33.3Very low40.6Very low111 Ų111116.1 Ų116.172%0.72165%0.647SS**PPolyproline II helixtrans-69.5116.217825.8-29.1000109.5M933P931-M933 PolarHBondContact O-N 2.86Å
932V34.3Very low40.2Very low137 Ų137119.8 Ų119.883%0.8367%0.668SS**PPolyproline II helixtrans-63.4120.5170.3178.80000107.7V930 N934V930-V932 PolarHBondContact O-N 2.93Å; V932-N934 PolarHBondContact O-N 3.47Å
933M29.3Very low39.5Very low180 Ų180122.5 Ų122.589%0.88768%0.678SS**PPolyproline II helixtrans-64.5129.7177.8-80.5-151.2-9200110.5P931 E935P931-M933 PolarHBondContact O-N 2.86Å; M933-E935 PolarHBondContact O-N 3.35Å
934N27.7Very low39.1Very low142 Ų142124.8 Ų124.876%0.75968%0.679SS**  trans-52.5111.2176.6-76.3-27.9000112.2V932 N936V932-N934 PolarHBondContact O-N 3.47Å; N934-N936 PolarHBondContact O-N 3.02Å
935E29.2Very low38.7Very low200 Ų200126.7 Ų126.794%0.93570%0.695SS**  trans-83.789.1155.8-87.5-172.8152.300109.2M933 H937M933-E935 PolarHBondContact O-N 3.35Å; E935-H937 PolarHBondContact O-N 2.91Å
936N28.3Very low38.3Very low137 Ų137126.5 Ų126.573%0.73369%0.688SS**  trans-74.4101.8161.8-71.1-30.1000108.9N934N934-N936 PolarHBondContact O-N 3.02Å
937H29.9Very low37.7Very low152 Ų152128.4 Ų128.470%0.70469%0.687SS**  trans164.396138.7-113.3-64.7000110.4E935 D939E935-H937 PolarHBondContact O-N 2.91Å; H937-D939 IonicContact CE1-OD1 2.83Å; H937-D939 IonicContact ND1-OD1 3.44Å; H937-D939 IonicContact ND1-OD2 3.7Å
938I34.8Very low37.2Very low161 Ų161134.2 Ų134.283%0.82671%0.711SS**  trans-138.1113.6146.2-59.9-175.9000107.1
939D38.5Very low37Very low101 Ų101131.7 Ų131.754%0.5470%0.7SS.*  trans-65.1138.6-169.2-70.5-56.6000113.8H937 E941 V942H937-D939 IonicContact CE1-OD1 2.83Å; H937-D939 IonicContact ND1-OD1 3.44Å; H937-D939 IonicContact ND1-OD2 3.7Å; D939-E941 PolarHBondContact O-N 2.93Å; D939-V942 PolarHBondContact O-N 3.13Å; D939-V942 VanDerWaalsContact O-N 3.17Å
940K38.6Very low36.7Very low187 Ų187132.4 Ų132.481%0.81370%0.695SS**Hα-helixtrans-58.1-12.8179.7-79.8-179.6174.7176.30114.6Q944K940-Q944 PolarHBondContact O-N 3.44Å
941E40.3Very low36.6Very low156 Ų156131.2 Ų131.273%0.72969%0.692SS**Hα-helixtrans-72.9-28.9177.2-71.1-170154.800112.9D939 L943 Q944 S945D939-E941 PolarHBondContact O-N 2.93Å; E941-L943 VanDerWaalsContact C-N 3.35Å; E941-Q944 PolarHBondContact O-N 2.8Å; E941-S945 PolarHBondContact O-N 2.8Å
942V45.8Very low36.8Very low80 Ų80130.8 Ų130.849%0.48569%0.692SS.*Hα-helixtrans-71.7-33.4177.4-178.20000110.9D939 Q944 S945 L946D939-V942 PolarHBondContact O-N 3.13Å; D939-V942 VanDerWaalsContact O-N 3.17Å; V942-Q944 VanDerWaalsContact C-N 3.32Å; V942-Q944 PolarHBondContact O-N 3.41Å; V942-S945 PolarHBondContact O-OG 2.89Å; V942-S945 VanDerWaalsContact O-OG 3.13Å; V942-L946 HydrophobicContact CG1-CD1 4.19Å; V942-L946 PolarHBondContact O-N 2.92Å
943L39.9Very low36.7Very low133 Ų133135 Ų13570%0.69669%0.693SS**Hα-helixtrans-71.9-26.2177.3-137.790.2000112.7E941E941-L943 VanDerWaalsContact C-N 3.35Å
944Q41Very low36.6Very low147 Ų147130.1 Ų130.169%0.68769%0.688SS**Hα-helixtrans-80.4-33.7176.6-83.7-179.7-24.400113.1K940 E941 V942 N947K940-Q944 PolarHBondContact O-N 3.44Å; E941-Q944 PolarHBondContact O-N 2.8Å; V942-Q944 VanDerWaalsContact C-N 3.32Å; V942-Q944 PolarHBondContact O-N 3.41Å; Q944-N947 PolarHBondContact O-N 3.36Å
945S42.8Very low36.5Very low71 Ų71131.9 Ų131.950%0.49769%0.694SS.*Hα-helixtrans-71.6-33175.7600000112.9E941 V942 Q948 S949E941-S945 PolarHBondContact O-N 2.8Å; V942-S945 PolarHBondContact O-OG 2.89Å; V942-S945 VanDerWaalsContact O-OG 3.13Å; S945-Q948 PolarHBondContact O-N 3.34Å; S945-S949 PolarHBondContact O-N 2.82Å
946L40.5Very low36.4Very low92 Ų92130.8 Ų130.848%0.48269%0.694SS.*Hα-helixtrans-69.6-30.8175-95.2147.7000113.5V942 Q948 S949 L950V942-L946 HydrophobicContact CG1-CD1 4.19Å; V942-L946 PolarHBondContact O-N 2.92Å; L946-Q948 VanDerWaalsContact C-N 3.33Å; L946-Q948 PolarHBondContact O-N 3.42Å; L946-S949 PolarHBondContact O-N 3.24Å; L946-S949 PolarHBondContact O-OG 3.43Å; L946-L950 PolarHBondContact O-N 3.22Å
947N41.9Very low36.3Very low120 Ų120131.3 Ų131.364%0.64270%0.702SS**Hα-helixtrans-74-22.2175.6-92.2-8.9000113.6Q944Q944-N947 PolarHBondContact O-N 3.36Å
948Q41Very low36.1Very low158 Ų158132.4 Ų132.474%0.73871%0.708SS**Hα-helixtrans-77.6-33.3172.2-80.7-177.1-14.700112.5S945 L946 S951S945-Q948 PolarHBondContact O-N 3.34Å; L946-Q948 VanDerWaalsContact C-N 3.33Å; L946-Q948 PolarHBondContact O-N 3.42Å; Q948-S951 PolarHBondContact O-OG 2.84Å
949S39.8Very low35.6Very low75 Ų75130.1 Ų130.152%0.52471%0.706SS.*Hα-helixtrans-79.4-21.8-179.270.30000114.4S945 L946S945-S949 PolarHBondContact O-N 2.82Å; L946-S949 PolarHBondContact O-N 3.24Å; L946-S949 PolarHBondContact O-OG 3.43Å
950L37.1Very low35Very low115 Ų115134.1 Ų134.160%0.60272%0.718SS**G310 helixtrans-85-10.6178.1-83.1154.4000114.2L946 S952 R953L946-L950 PolarHBondContact O-N 3.22Å; L950-S952 VanDerWaalsContact C-N 3.26Å; L950-S952 PolarHBondContact O-N 2.99Å; L950-R953 PolarHBondContact O-N 3.07Å
951S35Very low34.3Very low100 Ų100134.3 Ų134.370%0.69972%0.722SS**G310 helixtrans-73.9-7.5178.874.90000115.1Q948Q948-S951 PolarHBondContact O-OG 2.84Å
952S38.2Very low33.6Very low103 Ų103133.1 Ų133.172%0.7273%0.726SS**G310 helixtrans-100.111176.366.60000115L950L950-S952 VanDerWaalsContact C-N 3.26Å; L950-S952 PolarHBondContact O-N 2.99Å
953R30.4Very low32.7Very low225 Ų225135 Ų13585%0.84974%0.739SS**SBendtrans-129.485.2166.8-83.1-176171.6173.3-2.1110L950 M955L950-R953 PolarHBondContact O-N 3.07Å; R953-M955 PolarHBondContact O-N 2.52Å
954G28Very low31.9Very low77 Ų77135.4 Ų135.479%0.79475%0.747SS**  trans-65.4110.2177.800000112.5
955M25.9Very low31.2Very low179 Ų179134.6 Ų134.688%0.88275%0.752SS**  trans-166.6104.2144.2-88.1-155.8-173.400107R953R953-M955 PolarHBondContact O-N 2.52Å
956L26.5Very low30.3Very low177 Ų177134.1 Ų134.193%0.92776%0.758SS**  trans158.997.7150.2-85.7158.5000107.8E958L956-E958 PolarHBondContact O-N 3.21Å
957T26.2Very low29.5Very low148 Ų148137.3 Ų137.391%0.90878%0.776SS**  trans-75.2100172.247.40000108.7
958E25.9Very low28.8Very low176 Ų176137.1 Ų137.182%0.82278%0.784SS**  trans-84.6111.2175-154.7175.1-152.800109.6L956 K960L956-E958 PolarHBondContact O-N 3.21Å; E958-K960 PolarHBondContact O-N 3.26Å
959S24.2Very low28Very low113 Ų113138.7 Ų138.779%0.7979%0.791SS**  trans-70.8101174.456.40000110.1
960K25.6Very low27.3Very low184 Ų184145 Ų14580%0.881%0.809SS**  trans-79120.3163.2-89-178.4177.4174.40110.1E958 T962E958-K960 PolarHBondContact O-N 3.26Å; K960-T962 PolarHBondContact O-N 2.89Å
961H25.1Very low26.7Very low192 Ų192149.4 Ų149.489%0.88982%0.824SS**  trans-38.3125.3161.8-80.7-63.4000112.3
962T24.8Very low26.3Very low131 Ų131149.1 Ų149.180%0.80483%0.827SS**  trans-129.7142.8155.623.80000108.4K960K960-T962 PolarHBondContact O-N 2.89Å
963P27Very low25.6Very low118 Ų118150.5 Ų150.577%0.76683%0.831SS**  trans-86.6152.3-157.318.3-3.3000112.2V965P963-V965 PolarHBondContact O-N 2.96Å; P963-V965 VanDerWaalsContact O-N 3.16Å
964V24.1Very low25.4Very low142 Ų142145.6 Ų145.686%0.86183%0.829SS**  trans-47.8110.8171.9179.70000110.8
965V24.9Very low25.2Very low130 Ų130147.4 Ų147.479%0.78883%0.829SS**  trans-123.9106.3149.7178.20000105.1P963 D967P963-V965 PolarHBondContact O-N 2.96Å; P963-V965 VanDerWaalsContact O-N 3.16Å; V965-D967 PolarHBondContact O-N 3.4Å
966G24.3Very low25.2Very low62 Ų62147.6 Ų147.664%0.63983%0.83SS**  trans-67.7126.7172.700000108.5
967D23.9Very low25.1Very low158 Ų158144.1 Ų144.185%0.84582%0.821SS**  trans-134.7134.6149.9-101.2-34000109.6V965V965-D967 PolarHBondContact O-N 3.4Å
968S26.1Very low25Very low117 Ų117148.1 Ų148.182%0.81882%0.821SS**  trans-74.5125.5-168.3-61.30000110
969E25Very low25Very low191 Ų191146.1 Ų146.189%0.89382%0.821SS**  trans-146.2115.5155.5-121.1177.5-173.800112.6
970K25.3Very low25Very low206 Ų206151.7 Ų151.790%0.89682%0.824SS**  trans-46.9130.7168.8-65.9167.2176.1173.50110.3
971K25Very low25.1Very low209 Ų209147.3 Ų147.391%0.90982%0.822SS**  trans-152.2137.4147.8-112.1159.8-171.1171.70111.8
972A26.2Very low25.1Very low93 Ų93146 Ų14677%0.76982%0.817SS**  trans-66.5144.9-159.700000114.4
973T23.5Very low25.1Very low132 Ų132146.8 Ų146.881%0.8182%0.816SS**  trans-41.7124.9159.832.90000112.7S975T973-S975 PolarHBondContact O-N 2.91Å
974P25.9Very low25.1Very low122 Ų122151 Ų15179%0.79282%0.818SS**  trans-78.3111.8167.829.7-27.2000108.9M976P974-M976 PolarHBondContact O-N 3.27Å; P974-M976 VanDerWaalsContact O-N 3.15Å
975S24.6Very low25.2Very low116 Ų116151.4 Ų151.481%0.81182%0.815SS**  trans-60.3107.7167.450.40000109.7T973 S977T973-S975 PolarHBondContact O-N 2.91Å; S975-S977 PolarHBondContact O-N 2.7Å
976M25.2Very low25.2Very low183 Ų183150.4 Ų150.490%0.90181%0.813SS**  trans-69.5121.3171.2-113.3177.917700109.5P974 Y978P974-M976 PolarHBondContact O-N 3.27Å; P974-M976 VanDerWaalsContact O-N 3.15Å; M976-Y978 PolarHBondContact O-N 3.13Å
977S23.6Very low25.3Very low104 Ų104155.5 Ų155.573%0.72782%0.82SS**  trans-64.8119.3179.149.40000111.7S975 T979S975-S977 PolarHBondContact O-N 2.7Å; S977-T979 PolarHBondContact O-N 3.4Å
978Y24.5Very low25.4Very low232 Ų232154.1 Ų154.191%0.9182%0.818SS**  trans-64.8107.6166.3-93.4-98.6000110.2M976 R980M976-Y978 PolarHBondContact O-N 3.13Å; Y978-R980 PolarHBondContact O-N 3.11Å
979T26.1Very low25.4Very low133 Ų133154.5 Ų154.582%0.81681%0.809SS**  trans-79.6105163.415.60000108.8S977 A981S977-T979 PolarHBondContact O-N 3.4Å; T979-A981 PolarHBondContact O-N 2.82Å; T979-A981 VanDerWaalsContact O-N 3.08Å
980R24.2Very low25.3Very low230 Ų230154.3 Ų154.387%0.86881%0.808SS**  trans-6298.1175.7-168.7177.4-169.1166.82.3109.9Y978Y978-R980 PolarHBondContact O-N 3.11Å
981A26.8Very low25.2Very low92 Ų92152.5 Ų152.576%0.7680%0.801SS**  trans-70.3133.2168.800000109.2T979T979-A981 PolarHBondContact O-N 2.82Å; T979-A981 VanDerWaalsContact O-N 3.08Å
982Q26.5Very low25.1Very low165 Ų165148 Ų14877%0.77179%0.793SS**  trans-61.5135.3-169.4-71.1165-46.600112.9Y984Q982-Y984 PolarHBondContact O-N 3.17Å
983D25.5Very low25.1Very low148 Ų148152.5 Ų152.579%0.79180%0.795SS**  trans-57.598.2173.9-67.1-50.3000111N985D983-N985 PolarHBondContact O-N 3.1Å
984Y26.9Very low25.1Very low207 Ų207152.6 Ų152.681%0.81280%0.795SS**  trans-79.6101.6160.2-82.1-84.8000108.2Q982 C986Q982-Y984 PolarHBondContact O-N 3.17Å; Y984-C986 PolarHBondContact O-N 2.76Å
985N26.2Very low25Very low149 Ų149156.7 Ų156.780%0.79780%0.796SS**  trans-7076.4177.1-1457.3000109.4D983 Q987D983-N985 PolarHBondContact O-N 3.1Å; N985-Q987 VanDerWaalsContact C-N 3.32Å; N985-Q987 PolarHBondContact O-N 3.39Å
986C24.2Very low25Very low109 Ų109155.8 Ų155.874%0.73679%0.79SS**  trans-76.485.9171.6-84.90000109.3Y984 T988Y984-C986 PolarHBondContact O-N 2.76Å; C986-T988 VanDerWaalsContact C-N 3.35Å; C986-T988 PolarHBondContact O-N 2.8Å
987Q26.4Very low24.9Very low170 Ų170153.5 Ų153.579%0.79478%0.781SS**  trans-60102.4157.4-76.7-177.3-26.300107.6N985 I989N985-Q987 VanDerWaalsContact C-N 3.32Å; N985-Q987 PolarHBondContact O-N 3.39Å; Q987-I989 PolarHBondContact O-N 3Å; Q987-I989 VanDerWaalsContact O-N 3.13Å
988T26.1Very low25Very low129 Ų129152.9 Ų152.979%0.79178%0.777SS**  trans-72.8106174.9-49.60000106.3C986 E990C986-T988 VanDerWaalsContact C-N 3.35Å; C986-T988 PolarHBondContact O-N 2.8Å; T988-E990 PolarHBondContact O-N 3.33Å; T988-E990 VanDerWaalsContact O-N 3.11Å
989I26.3Very low25Very low125 Ų125152 Ų15264%0.64177%0.772SS**  trans-63.2109.2172.8-64.3169.2000106.7Q987 F991Q987-I989 PolarHBondContact O-N 3Å; Q987-I989 VanDerWaalsContact O-N 3.13Å; I989-F991 HydrophobicContact CB-CE2 4.26Å; I989-F991 HydrophobicContact CG2-CD2 4.25Å; I989-F991 HydrophobicContact CG2-CE1 4.49Å; I989-F991 HydrophobicContact CG2-CE2 3.93Å; I989-F991 HydrophobicContact CG2-CZ 4.06Å; I989-F991 WeakPolarHBondContact O-CD2 3.45Å; I989-F991 PolarHBondContact O-N 3.29Å
990E22.4Very low24.9Very low186 Ų186153.4 Ų153.487%0.86977%0.773SS**  trans-62.1100.6168.2-84.3-176.7144.900108.5T988 P992T988-E990 PolarHBondContact O-N 3.33Å; T988-E990 VanDerWaalsContact O-N 3.11Å; E990-P992 WeakPolarHBondContact O-CD 3.36Å
991F23.7Very low24.9Very low168 Ų168148.3 Ų148.374%0.73777%0.768SS**  trans-76.3120.3162.2-72.4-81.4000107.8I989 K993I989-F991 HydrophobicContact CB-CE2 4.26Å; I989-F991 HydrophobicContact CG2-CD2 4.25Å; I989-F991 HydrophobicContact CG2-CE1 4.49Å; I989-F991 HydrophobicContact CG2-CE2 3.93Å; I989-F991 HydrophobicContact CG2-CZ 4.06Å; I989-F991 WeakPolarHBondContact O-CD2 3.45Å; I989-F991 PolarHBondContact O-N 3.29Å; F991-K993 PolarHBondContact O-N 3.07Å
992P23Very low24.8Very low114 Ų114152.3 Ų152.374%0.7477%0.771SS**  trans-64.4114.9176.525.1-29.3000107.9E990 V994E990-P992 WeakPolarHBondContact O-CD 3.36Å; P992-V994 PolarHBondContact O-N 3.47Å
993K24.5Very low24.6Very low189 Ų189152.6 Ų152.682%0.82277%0.772SS**  trans-62.6102.6172.1-77.2-179.5177.7176.30108F991 Y995F991-K993 PolarHBondContact O-N 3.07Å; K993-Y995 WeakPolarHBondContact O-CD2 3.3Å; K993-Y995 PolarHBondContact O-N 2.01Å; K993-Y995 VanDerWaalsContact O-N 3.12Å
994V23.9Very low24.6Very low133 Ų133152 Ų15281%0.80677%0.769SS**  trans-63.3108.7165.8177.60000106.6P992 S996P992-V994 PolarHBondContact O-N 3.47Å; V994-S996 PolarHBondContact O-N 2.95Å; V994-S996 VanDerWaalsContact O-N 3.1Å
995Y24.5Very low24.5Very low208 Ų208148.1 Ų148.182%0.81677%0.767SS**  trans-65.9101.6172.2-81-98.2000108.8K993K993-Y995 WeakPolarHBondContact O-CD2 3.3Å; K993-Y995 PolarHBondContact O-N 2.01Å; K993-Y995 VanDerWaalsContact O-N 3.12Å
996S24.5Very low24.5Very low97 Ų97148.9 Ų148.968%0.67877%0.77SS**  trans-97.986.4154.661.20000107V994 S998V994-S996 PolarHBondContact O-N 2.95Å; V994-S996 VanDerWaalsContact O-N 3.1Å; S996-S998 PolarHBondContact O-N 3.18Å
997D23.7Very low24.7Very low135 Ų135150.4 Ų150.472%0.72277%0.771SS**  trans-74.865171.1-1408.5000107.8R999D997-R999 PolarHBondContact O-N 2.95Å
998S25Very low24.7Very low91 Ų91149.4 Ų149.464%0.63677%0.771SS**  trans-73.984.7168.451.30000106.6S996 L1000S996-S998 PolarHBondContact O-N 3.18Å; S998-L1000 VanDerWaalsContact C-N 3.28Å; S998-L1000 PolarHBondContact O-N 3Å
999R24.2Very low24.8Very low215 Ų215150.7 Ų150.781%0.81177%0.772SS**  trans-53103.5157.3-76.4-175.8-177.71712.9106.4D997 V1001D997-R999 PolarHBondContact O-N 2.95Å; R999-V1001 VanDerWaalsContact C-N 3.31Å; R999-V1001 PolarHBondContact O-N 2.93Å
1000L24.2Very low24.7Very low161 Ų161153.8 Ų153.884%0.84378%0.783SS**  trans-51.6103.2161.7-84.1136.5000106.2S998 E1002S998-L1000 VanDerWaalsContact C-N 3.28Å; S998-L1000 PolarHBondContact O-N 3Å; L1000-E1002 PolarHBondContact O-N 3.27Å; L1000-E1002 VanDerWaalsContact O-N 3.16Å
1001V25Very low25Very low124 Ų124150.9 Ų150.975%0.75278%0.779SS**  trans-53116.5154.7173.80000104.6R999 Q1003R999-V1001 VanDerWaalsContact C-N 3.31Å; R999-V1001 PolarHBondContact O-N 2.93Å; V1001-Q1003 PolarHBondContact O-N 3.05Å
1002E23.5Very low25Very low176 Ų176148 Ų14882%0.82278%0.779SS**  trans-52.890.3172.5-81172.9138.500109L1000 N1004L1000-E1002 PolarHBondContact O-N 3.27Å; L1000-E1002 VanDerWaalsContact O-N 3.16Å; E1002-N1004 PolarHBondContact O-N 2.92Å
1003Q23.9Very low25.2Very low171 Ų171151.2 Ų151.280%0.79978%0.784SS**  trans-74.2102.1156.8-86-178.6-26.900105.4V1001 T1005V1001-Q1003 PolarHBondContact O-N 3.05Å; Q1003-T1005 VanDerWaalsContact C-N 3.34Å; Q1003-T1005 PolarHBondContact O-N 3.29Å
1004N24.1Very low25.2Very low135 Ų135149.7 Ų149.772%0.72279%0.785SS**  trans-45.296168.5-74-45.8000110.1E1002 L1006E1002-N1004 PolarHBondContact O-N 2.92Å; N1004-L1006 PolarHBondContact O-N 3.25Å
1005T25.6Very low25.2Very low126 Ų126150.5 Ų150.577%0.77378%0.784SS**PPolyproline II helixtrans-73.4117.1170.143.10000107.8Q1003 D1007Q1003-T1005 VanDerWaalsContact C-N 3.34Å; Q1003-T1005 PolarHBondContact O-N 3.29Å; T1005-D1007 PolarHBondContact O-N 2.88Å
1006L26.8Very low25Very low164 Ų164147 Ų14786%0.85978%0.784SS**PPolyproline II helixtrans-67122.2175.3-152.884.2000108.6N1004N1004-L1006 PolarHBondContact O-N 3.25Å
1007D28.3Very low25Very low141 Ų141149.6 Ų149.675%0.75479%0.789SS**PPolyproline II helixtrans-59.1131.2-180-68.1-44.3000113T1005T1005-D1007 PolarHBondContact O-N 2.88Å
1008D26.5Very low24.9Very low149 Ų149151.4 Ų151.480%0.79779%0.793SS**  trans26.399.7140.1-61.2-24.9000118.6
1009I28.3Very low25Very low157 Ų157153.2 Ų153.281%0.80580%0.803SS**  trans-119.397.5145.1-61.7179.4000107.5T1011I1009-T1011 PolarHBondContact O-N 3.36Å
1010E24.1Very low24.9Very low189 Ų189152.2 Ų152.288%0.88381%0.807SS**  trans-53.5112.6164.4-74.7179.2138.200109.8
1011T27.6Very low24.9Very low126 Ų126156 Ų15677%0.77381%0.81SS**  trans-140.9108.214925.90000109.3I1009 H1013I1009-T1011 PolarHBondContact O-N 3.36Å; T1011-H1013 PolarHBondContact O-N 3.42Å
1012S24.1Very low24.9Very low106 Ų106157.6 Ų157.674%0.74182%0.815SS**  trans-46.6126.5167.751.70000112.5
1013H27.6Very low25Very low182 Ų182160.2 Ų160.284%0.84382%0.817SS**  trans-170.4115.8132.5-101.6-63.8000110.1T1011 L1015T1011-H1013 PolarHBondContact O-N 3.42Å; H1013-L1015 PolarHBondContact O-N 2.93Å
1014D23.6Very low25.1Very low157 Ų157158.5 Ų158.584%0.8482%0.818SS**  trans-50.5120.6167.6-80.3-43.7000111.3
1015L23.7Very low25.1Very low150 Ų150160.3 Ų160.379%0.78582%0.822SS**  trans-146.194.9158.8-105154.7000109.7H1013 I1017H1013-L1015 PolarHBondContact O-N 2.93Å; L1015-I1017 PolarHBondContact O-N 2.86Å
1016T21.2Very low25Very low136 Ų136162 Ų16283%0.83483%0.825SS**  trans-60.4109.5167.9-31.10000109.8
1017I24.1Very low24.9Very low151 Ų151159.1 Ų159.177%0.77482%0.817SS**  trans-135.8125.9164.2-58.2-177.2000110.5L1015L1015-I1017 PolarHBondContact O-N 2.86Å
1018Q22.2Very low24.8Very low172 Ų172163.5 Ų163.580%0.80482%0.824SS**  trans-64.3157.6-176.1-76.8175.6-22.900114.1Q1020Q1018-Q1020 PolarHBondContact O-N 3.3Å
1019P25.7Very low24.8Very low130 Ų130165.9 Ų165.984%0.84483%0.828SS**  trans-81111.9-167.232-32.3000111.6
1020Q23.2Very low24.7Very low194 Ų194163.1 Ų163.191%0.90782%0.823SS**  trans-93.5117.8161.4-82.2-164.4-65.500110.2Q1018 D1022Q1018-Q1020 PolarHBondContact O-N 3.3Å; Q1020-D1022 PolarHBondContact O-N 3.38Å
1021R23.1Very low25.1Very low240 Ų240159.9 Ų159.991%0.90682%0.818SS**  trans-51.7121.2162.1-77.9172.7170.9163.5-2.2109.1
1022D25.5Very low25.2Very low158 Ų158160.6 Ų160.685%0.84582%0.817SS**  trans-138.9119.3143.6-96.6-33.2000110.3Q1020 T1024Q1020-D1022 PolarHBondContact O-N 3.38Å; D1022-T1024 PolarHBondContact O-N 3.13Å; D1022-T1024 VanDerWaalsContact O-N 3.16Å
1023R25Very low25.3Very low230 Ų230163.2 Ų163.287%0.86882%0.823SS**  trans-7099.6178.9-72.7173169.5175.7-4.4108.5
1024T25.8Very low25.2Very low135 Ų135159.8 Ų159.883%0.82882%0.819SS**  trans-93.8110.1162.1340000108.6D1022 L1026D1022-T1024 PolarHBondContact O-N 3.13Å; D1022-T1024 VanDerWaalsContact O-N 3.16Å; T1024-L1026 PolarHBondContact O-N 2.97Å
1025H25.6Very low25.3Very low173 Ų173161.1 Ų161.180%0.80182%0.82SS**PPolyproline II helixtrans-58.4116.7175.8-78.8-104.1000110.1
1026L23.3Very low25.4Very low161 Ų161163.7 Ų163.784%0.84382%0.821SS**PPolyproline II helixtrans-59.8124.1161.7-87.2143.7000108.4T1024 Y1028T1024-L1026 PolarHBondContact O-N 2.97Å; L1026-Y1028 PolarHBondContact O-N 2.88Å
1027P25.3Very low25.6Very low104 Ų104163.2 Ų163.268%0.67582%0.82SS**PPolyproline II helixtrans-72.2119.1-179.128-29.8000109.3F1029P1027-F1029 PolarHBondContact O-N 3.16Å
1028Y25.1Very low25.7Very low233 Ų233164.5 Ų164.591%0.91482%0.823SS**  trans-59.4115.2164.6-104.9-105.5000108.5L1026 S1030L1026-Y1028 PolarHBondContact O-N 2.88Å; Y1028-S1030 PolarHBondContact O-N 3.1Å
1029F27Very low25.9Very low200 Ų200165.4 Ų165.488%0.87782%0.819SS**  trans-68111.7164.9-85.8-90.4000108.3P1027P1027-F1029 PolarHBondContact O-N 3.16Å
1030S25.2Very low25.7Very low99 Ų99167.2 Ų167.269%0.69282%0.816SS**  trans-75.8136.6170.3-152.40000108.5Y1028 D1032Y1028-S1030 PolarHBondContact O-N 3.1Å; S1030-D1032 PolarHBondContact O-N 3.17Å
1031P33.9Very low25.8Very low120 Ų120165.7 Ų165.778%0.77981%0.809SS**SBendtrans-84.280.5-174.934.1-32.1000109.9
1032D28.9Very low25.9Very low141 Ų141160.3 Ų160.375%0.75480%0.797SS**  trans-146.896.4161.1-87.6-35.7000105.2S1030S1030-D1032 PolarHBondContact O-N 3.17Å
1033D25.7Very low25.9Very low161 Ų161159.9 Ų159.986%0.86179%0.793SS**  trans160.765.7159.6-80.1-19.1000108.2E1035D1033-E1035 PolarHBondContact O-N 3.44Å
1034S26.1Very low25.8Very low110 Ų110157 Ų15777%0.76979%0.789SS**  trans-84.165.7164.760.70000109.5Y1036S1034-Y1036 PolarHBondContact O-N 3.09Å
1035E25Very low25.8Very low186 Ų186155.3 Ų155.387%0.86978%0.783SS**  trans-86100.7160.9-99.2-176.5164.200108D1033D1033-E1035 PolarHBondContact O-N 3.44Å
1036Y27Very low25.9Very low203 Ų203151.6 Ų151.680%0.79678%0.776SS**  trans-57.6129171.5-83.8-96.3000109.8S1034 Q1038S1034-Y1036 PolarHBondContact O-N 3.09Å; Y1036-Q1038 PolarHBondContact O-N 3.33Å; Y1036-Q1038 VanDerWaalsContact O-N 3.14Å
1037P24.8Very low25.9Very low126 Ų126155.5 Ų155.582%0.81878%0.78SS**  trans-69.3115.9175.326-27.8000109.3R1039P1037-R1039 PolarHBondContact O-N 3.02Å
1038Q26.4Very low26Very low178 Ų178157.4 Ų157.483%0.83278%0.783SS**  trans-56.3121.4177.8-70.1175.4-31.900111.2Y1036 Q1040Y1036-Q1038 PolarHBondContact O-N 3.33Å; Y1036-Q1038 VanDerWaalsContact O-N 3.14Å; Q1038-Q1040 PolarHBondContact O-N 2.79Å; Q1038-Q1040 VanDerWaalsContact O-N 3.08Å
1039R25.5Very low26.1Very low192 Ų192151.9 Ų151.973%0.72578%0.779SS**  trans-62.4105170.3-102.7-176.7-178.7-175.81.9109E528 P1037 H1041E528-R1039 IonicContact OE1-CZ 3.71Å; E528-R1039 IonicContact OE1-NH1 2.79Å; E528-R1039 PolarHBondContact OE1-NH1 3.37Å; E528-R1039 IonicContact OE1-NH2 3.22Å; E528-R1039 PolarHBondContact OE1-NH2 3.03Å; E528-R1039 VanDerWaalsContact OE1-NH2 3.12Å; P1037-R1039 PolarHBondContact O-N 3.02Å; R1039-H1041 PolarHBondContact O-N 3.04Å
1040Q22.5Very low26.1Very low167 Ų167150.1 Ų150.178%0.7877%0.773SS**  trans-74.1113.2158.6-76.8-177.6-19.900108.1Q1038 I1042Q1038-Q1040 PolarHBondContact O-N 2.79Å; Q1038-Q1040 VanDerWaalsContact O-N 3.08Å; Q1040-I1042 HydrophobicContact CB-CG1 4.38Å; Q1040-I1042 PolarHBondContact O-N 2.97Å
1041H25.9Very low26.2Very low163 Ų163154.3 Ų154.376%0.75578%0.782SS**  trans-66.186.6166.2-80.4-94.7000108.8R1039 I1043R1039-H1041 PolarHBondContact O-N 3.04Å; H1041-I1043 VanDerWaalsContact C-N 3.31Å; H1041-I1043 PolarHBondContact O-N 3.29Å
1042I23.6Very low25.9Very low126 Ų126156.2 Ų156.265%0.64678%0.784SS**  trans-73.892169.1-59175.6000106.8Q1040 H1044Q1040-I1042 HydrophobicContact CB-CG1 4.38Å; Q1040-I1042 PolarHBondContact O-N 2.97Å; I1042-H1044 PolarHBondContact O-N 3.47Å
1043I25.7Very low25.8Very low149 Ų149156 Ų15676%0.76478%0.783SS**  trans-65.9101.4165-60.2173.9000106.2H1041 S1045H1041-I1043 VanDerWaalsContact C-N 3.31Å; H1041-I1043 PolarHBondContact O-N 3.29Å; I1043-S1045 VanDerWaalsContact C-N 3.33Å; I1043-S1045 PolarHBondContact O-N 2.94Å
1044H24.3Very low25.9Very low169 Ų169153.3 Ų153.378%0.78278%0.777SS**  trans-63.596.1167.2-100.5-82.8000108.1I1042 S1046I1042-H1044 PolarHBondContact O-N 3.47Å; H1044-S1046 PolarHBondContact O-N 3.47Å
1045S24.3Very low26.1Very low101 Ų101157.5 Ų157.571%0.70678%0.781SS**  trans-70.483.4164.870.20000108.1I1043 R1047I1043-S1045 VanDerWaalsContact C-N 3.33Å; I1043-S1045 PolarHBondContact O-N 2.94Å; S1045-R1047 VanDerWaalsContact C-N 3.26Å; S1045-R1047 PolarHBondContact O-N 2.75Å
1046S27.8Very low26.3Very low95 Ų95156.2 Ų156.266%0.66478%0.781SS**  trans-69.490.4164.654.30000107.8H1044 L1048H1044-S1046 PolarHBondContact O-N 3.47Å; S1046-L1048 PolarHBondContact O-N 2.85Å
1047R24.7Very low26.4Very low242 Ų242157.8 Ų157.891%0.91379%0.785SS**  trans-64.383.2159.2-85.3-175.6-177170.51.7107.6S1045S1045-R1047 VanDerWaalsContact C-N 3.26Å; S1045-R1047 PolarHBondContact O-N 2.75Å
1048L27.2Very low26.5Very low144 Ų144160.2 Ų160.275%0.75479%0.786SS**  trans-92.1103.2154.9-101.6128.1000106.2S1046 E1050S1046-L1048 PolarHBondContact O-N 2.85Å; L1048-E1050 PolarHBondContact O-N 3.42Å
1049S25.7Very low26.6Very low118 Ų118157.1 Ų157.183%0.82578%0.781SS**  trans-64.382.8168.951.10000109.1Q1051S1049-Q1051 PolarHBondContact O-N 2.68Å
1050E27.9Very low26.7Very low162 Ų162154.2 Ų154.276%0.75778%0.784SS**  trans-80.6114.1163.3-77.4-173.3160.100108.1L1048 I1052L1048-E1050 PolarHBondContact O-N 3.42Å; E1050-I1052 PolarHBondContact O-N 3.48Å
1051Q26.7Very low27Very low188 Ų188152 Ų15288%0.87978%0.783SS**  trans-56.9101.1167.3-72.2176-82.200108.1S1049 D1053S1049-Q1051 PolarHBondContact O-N 2.68Å; Q1051-D1053 PolarHBondContact O-N 2.76Å; Q1051-D1053 VanDerWaalsContact O-N 3.12Å
1052I27.4Very low26.9Very low160 Ų160151.6 Ų151.682%0.82178%0.781SS**  trans-74.6100.5168.9-63.4173.4000106.2E1050 S1054E1050-I1052 PolarHBondContact O-N 3.48Å; I1052-S1054 PolarHBondContact O-N 3.1Å
1053D28.7Very low27Very low137 Ų137153.2 Ų153.273%0.73379%0.786SS**  trans-55124.2166.1-91.6-29000109.1Q1051 F1055Q1051-D1053 PolarHBondContact O-N 2.76Å; Q1051-D1053 VanDerWaalsContact O-N 3.12Å; D1053-F1055 PolarHBondContact O-N 3.36Å; D1053-F1055 VanDerWaalsContact O-N 3.07Å
1054S27.5Very low26.9Very low104 Ų104156.7 Ų156.773%0.72779%0.789SS**  trans-60.3102.5179.352.70000110.9I1052I1052-S1054 PolarHBondContact O-N 3.1Å
1055F29.5Very low26.9Very low197 Ų197159.6 Ų159.686%0.86479%0.793SS**  trans-93.4112.4160.1-97.4-86000109.3D1053 R1057D1053-F1055 PolarHBondContact O-N 3.36Å; D1053-F1055 VanDerWaalsContact O-N 3.07Å; F1055-R1057 PolarHBondContact O-N 2.78Å; F1055-R1057 VanDerWaalsContact O-N 3.1Å
1056D29.3Very low27Very low160 Ų160162.6 Ų162.686%0.85680%0.8SS**  trans-46.5108.5174.1-68.1-48000111.5
1057R28.3Very low26.9Very low236 Ų236160.9 Ų160.989%0.89180%0.797SS**  trans-108.8109.4159.7-80.8-172.2-179.1178.51.8108F1055F1055-R1057 PolarHBondContact O-N 2.78Å; F1055-R1057 VanDerWaalsContact O-N 3.1Å
1058E27.9Very low27Very low177 Ų177155.8 Ų155.883%0.82780%0.795SS**  trans-52.4132.1168.4-74.7-178.1147.600110.1V1060E1058-V1060 PolarHBondContact O-N 2.89Å
1059P29.2Very low27Very low112 Ų112153 Ų15373%0.72779%0.792SS**  trans-76.8108.1-175.729.5-31.3000110T1061P1059-T1061 PolarHBondContact O-N 2.98Å; P1059-T1061 VanDerWaalsContact O-N 3.08Å
1060V27.1Very low27.1Very low132 Ų132153.3 Ų153.380%0.879%0.792SS**  trans-68.2103.4165.9-178.90000107.7E1058 E1062E1058-V1060 PolarHBondContact O-N 2.89Å; V1060-E1062 HydrophobicContact CG1-CG 4.26Å; V1060-E1062 PolarHBondContact O-N 3.26Å
1061T27.9Very low27Very low121 Ų121153.4 Ų153.474%0.74280%0.796SS**  trans-87.192.3174.134.90000108.8P1059 E1063P1059-T1061 PolarHBondContact O-N 2.98Å; P1059-T1061 VanDerWaalsContact O-N 3.08Å; T1061-E1063 PolarHBondContact O-N 3.46Å
1062E24.6Very low27Very low153 Ų153152.8 Ų152.872%0.71580%0.798SS**  trans-78.599.3166.6-78.9-173.3163.200109.4V1060 W1064V1060-E1062 HydrophobicContact CG1-CG 4.26Å; V1060-E1062 PolarHBondContact O-N 3.26Å; E1062-W1064 PolarHBondContact O-N 3.03Å
1063E24.7Very low26.9Very low161 Ų161149.3 Ų149.375%0.75279%0.793SS**  trans-69.9108171.6-83.2-172.2152.300111.2T1061 R1065T1061-E1063 PolarHBondContact O-N 3.46Å; E1063-R1065 PolarHBondContact O-N 3.23Å
1064W24.6Very low26.8Very low222 Ų222147.8 Ų147.884%0.84179%0.793SS**  trans-74.5102.3166.7-71.278.8000110.1E1062 I1066E1062-W1064 PolarHBondContact O-N 3.03Å; W1064-I1066 PolarHBondContact O-N 3.26Å
1065R23.2Very low26.8Very low230 Ų230149.1 Ų149.187%0.86880%0.797SS**  trans-76.699.7171.8-71.5-171.6-170.2-172.44.2110.6E1063 G1067E1063-R1065 PolarHBondContact O-N 3.23Å; R1065-G1067 PolarHBondContact O-N 3.07Å
1066I27.3Very low26.7Very low164 Ų164144.6 Ų144.684%0.84179%0.79SS**PPolyproline II helixtrans-78.1116.4166.3-60.4174.3000107.9W1064W1064-I1066 PolarHBondContact O-N 3.26Å
1067G26.2Very low27Very low58 Ų58142.2 Ų142.260%0.59878%0.783SS**PPolyproline II helixtrans-64153.9176.600000112.8R1065 A1069R1065-G1067 PolarHBondContact O-N 3.07Å; G1067-A1069 PolarHBondContact O-N 3.48Å
1068P26.8Very low26.9Very low135 Ų135137.8 Ų137.888%0.87778%0.777SS**PPolyproline II helixtrans-78120.5-163.231.2-32.6000111.8
1069A26.8Very low26.9Very low85 Ų85135 Ų13570%0.70277%0.772SS**PPolyproline II helixtrans-78.8145.5165.400000110.4G1067G1067-A1069 PolarHBondContact O-N 3.48Å
1070P27.6Very low26.8Very low126 Ų126135.4 Ų135.482%0.81877%0.772SS**PPolyproline II helixtrans-72.8135.2-168.827.8-31.6000112.6L1072P1070-L1072 PolarHBondContact O-N 3.27Å
1071I24.8Very low26.6Very low163 Ų163137.7 Ų137.784%0.83677%0.772SS**  trans-66.8109.6-179-60.7161.7000109.5
1072L27.7Very low26.4Very low175 Ų175143.2 Ų143.292%0.91678%0.779SS**  trans-104.8104159-93.6154.2000107.7P1070P1070-L1072 PolarHBondContact O-N 3.27Å
1073A24.8Very low26.4Very low88 Ų88143.8 Ų143.873%0.72779%0.786SS**  trans-76.3124178.600000110.8
1074S27.2Very low26.5Very low104 Ų104139.6 Ų139.673%0.72779%0.786SS**  trans-169.1108.2143.857.30000111.9
1075T28.1Very low26.4Very low132 Ų132137.9 Ų137.981%0.8179%0.787SS**  trans55.6105.4136.558.80000120.6
1076S26.7Very low26.4Very low102 Ų102131.5 Ų131.571%0.71378%0.783SS**  trans-44.6155.914655.80000113.5
1077P35.4Very low26.2Very low111 Ų111129.9 Ų129.972%0.72178%0.781SS**  cis-145.3137.747.135.4-13.2000119
1078N26.5Very low26.1Very low143 Ų143134.4 Ų134.477%0.76579%0.79SS**  34.897.6129.5-62.3-19.8000119.2
1079V28.2Very low25.9Very low119 Ų119137 Ų13772%0.72179%0.79SS**  trans-12694.8145.8-177.30000107.5F1081V1079-F1081 HydrophobicContact CG1-CD2 3.78Å; V1079-F1081 HydrophobicContact CG1-CE2 3.47Å; V1079-F1081 VanDerWaalsContact CG1-CE2 3.47Å; V1079-F1081 HydrophobicContact CG1-CZ 4.23Å
1080V25.9Very low25.8Very low119 Ų119138.7 Ų138.772%0.72179%0.792SS**  trans-90101.8175.5177.40000108R1082V1080-R1082 PolarHBondContact O-N 2.79Å
1081F24.3Very low25.6Very low180 Ų180136.5 Ų136.579%0.78979%0.792SS**  trans-76.1103.7164.9-79.5-84.1000108.8V1079 L1083V1079-F1081 HydrophobicContact CG1-CD2 3.78Å; V1079-F1081 HydrophobicContact CG1-CE2 3.47Å; V1079-F1081 VanDerWaalsContact CG1-CE2 3.47Å; V1079-F1081 HydrophobicContact CG1-CZ 4.23Å; F1081-L1083 PolarHBondContact O-N 3.29Å
1082R22.8Very low25.6Very low238 Ų238133.9 Ų133.990%0.89879%0.789SS**  trans-72.2102.8166.1-85.8-175.9178.3172.3-0.6108.8V1080 G1084V1080-R1082 PolarHBondContact O-N 2.79Å; R1082-G1084 PolarHBondContact O-N 2.78Å
1083L25.5Very low25.5Very low165 Ų165130.1 Ų130.186%0.86478%0.782SS**  trans-73.1114160.1-85.7148.6000107.7F1081F1081-L1083 PolarHBondContact O-N 3.29Å
1084G25Very low25.5Very low72 Ų72134.9 Ų134.974%0.74279%0.79SS**  trans-62.9134179.500000111.5R1082 A1086R1082-G1084 PolarHBondContact O-N 2.78Å; G1084-A1086 PolarHBondContact O-N 3.24Å
1085H24.1Very low25.4Very low187 Ų187138.8 Ų138.887%0.86680%0.796SS**  trans-62.9112.5168.7-78.9-87.2000109.5T1087H1085-T1087 PolarHBondContact O-N 2.79Å
1086A22.6Very low25.2Very low95 Ų95140.5 Ų140.579%0.78580%0.795SS**  trans-75.495.9163.200000108G1084 I1088G1084-A1086 PolarHBondContact O-N 3.24Å; A1086-I1088 PolarHBondContact O-N 3.27Å
1087T24Very low25Very low131 Ų131140.8 Ų140.880%0.80480%0.797SS**  trans-66.3108.2168.21.40000108.7H1085 Q1089H1085-T1087 PolarHBondContact O-N 2.79Å; T1087-Q1089 PolarHBondContact O-N 2.85Å; T1087-Q1089 VanDerWaalsContact O-N 3.12Å
1088I22.8Very low24.5Very low152 Ų152146.2 Ų146.278%0.77980%0.803SS**  trans-66.5107.1170.2-64172.7000107A1086 T1090A1086-I1088 PolarHBondContact O-N 3.27Å; I1088-T1090 PolarHBondContact O-N 3.4Å
1089Q22Very low24.3Very low190 Ų190145.7 Ų145.789%0.88881%0.805SS**  trans-6895.6169.6-77.3-178.6-23.600108.4T1087 G1091T1087-Q1089 PolarHBondContact O-N 2.85Å; T1087-Q1089 VanDerWaalsContact O-N 3.12Å; Q1089-G1091 PolarHBondContact O-N 2.77Å; Q1089-G1091 VanDerWaalsContact O-N 3.17Å
1090T25.3Very low24.2Very low121 Ų121145.1 Ų145.174%0.74281%0.807SS**  trans-68.6106.6164.250.30000107.7I1088 S1092I1088-T1090 PolarHBondContact O-N 3.4Å; T1090-S1092 PolarHBondContact O-N 3.46Å
1091G23.4Very low24.2Very low80 Ų80146.5 Ų146.583%0.82581%0.81SS**  trans-55.910917200000110Q1089 A1093Q1089-G1091 PolarHBondContact O-N 2.77Å; Q1089-G1091 VanDerWaalsContact O-N 3.17Å; G1091-A1093 PolarHBondContact O-N 2.87Å
1092S25.1Very low24.2Very low108 Ų108145.8 Ų145.876%0.75582%0.815SS**  trans-69.1110.4167.949.40000108T1090 E1094T1090-S1092 PolarHBondContact O-N 3.46Å; S1092-E1094 PolarHBondContact O-N 3.44Å; S1092-E1094 VanDerWaalsContact O-N 3.16Å
1093A26Very low24.2Very low95 Ų95146.2 Ų146.279%0.78582%0.816SS**  trans-60.5115.6166.600000108.2G1091 Q1095G1091-A1093 PolarHBondContact O-N 2.87Å; A1093-Q1095 PolarHBondContact O-N 3.32Å
1094E24.6Very low24Very low189 Ų189144.2 Ų144.288%0.88382%0.816SS**  trans-57.8101.8172.3-76.3173.2138.700109.1S1092 E1096S1092-E1094 PolarHBondContact O-N 3.44Å; S1092-E1094 VanDerWaalsContact O-N 3.16Å; E1094-E1096 PolarHBondContact O-N 2.9Å
1095Q24.6Very low24.1Very low185 Ų185144 Ų14486%0.86481%0.814SS**  trans-89.695.5169.2-157.5158-11.100106.6A1093 S1097A1093-Q1095 PolarHBondContact O-N 3.32Å; Q1095-S1097 PolarHBondContact O-N 2.8Å
1096E23.8Very low24.4Very low169 Ų169141.4 Ų141.479%0.7981%0.813SS**  trans-51.8100.8175.1-80.9-175.4139.500110.4E1094 R1098E1094-E1096 PolarHBondContact O-N 2.9Å; E1096-R1098 VanDerWaalsContact C-N 3.3Å; E1096-R1098 PolarHBondContact O-N 2.83Å
1097S23.1Very low24.4Very low108 Ų108140.1 Ų140.176%0.75581%0.81SS**  trans-74.183169.558.80000109Q1095 T1099Q1095-S1097 PolarHBondContact O-N 2.8Å; S1097-T1099 PolarHBondContact O-N 3.32Å; S1097-T1099 VanDerWaalsContact O-N 3.13Å
1098R23.9Very low24.5Very low224 Ų224143.5 Ų143.585%0.84581%0.813SS**  trans-73.897.9163-95.2-177.9173.8166.21108.9E1096 S1100E1096-R1098 VanDerWaalsContact C-N 3.3Å; E1096-R1098 PolarHBondContact O-N 2.83Å; R1098-S1100 PolarHBondContact O-N 3.47Å
1099T23.5Very low24.5Very low132 Ų132142.8 Ų142.881%0.8182%0.816SS**  trans-59.1119.3161.350.30000109.4S1097S1097-T1099 PolarHBondContact O-N 3.32Å; S1097-T1099 VanDerWaalsContact O-N 3.13Å
1100S25.4Very low24.6Very low107 Ų107142.3 Ų142.375%0.74881%0.813SS**  trans-132.9119.6165.759.30000109.3R1098R1098-S1100 PolarHBondContact O-N 3.47Å
1101D26.8Very low24.6Very low149 Ų149143.3 Ų143.380%0.79782%0.82SS**  trans-58.6132-168.5-67.4-54.5000113.9W1103D1101-W1103 PolarHBondContact O-N 3.29Å
1102N23.3Very low24.6Very low165 Ų165142.7 Ų142.788%0.88281%0.814SS**  trans-66.198.5167.2-87-24.3000109.8
1103W23.3Very low24.6Very low247 Ų247142.6 Ų142.694%0.93681%0.813SS**  trans-103.5100.1158.4-95.249.6000109.6D1101 G1105D1101-W1103 PolarHBondContact O-N 3.29Å; W1103-G1105 PolarHBondContact O-N 2.95Å
1104S21.8Very low24.5Very low123 Ų123147 Ų14786%0.8682%0.817SS**  trans-68.6116.5167.951.80000110.5
1105G26.5Very low24.6Very low67 Ų67146 Ų14669%0.69181%0.812SS**  trans-140127.4169.100000109.9W1103W1103-G1105 PolarHBondContact O-N 2.95Å
1106P30.7Very low24.6Very low132 Ų132144.5 Ų144.586%0.85781%0.81SS**  trans-91.7145.5-162.334.8-33.5000113.8
1107G22.4Very low24.6Very low69 Ų69142.4 Ų142.471%0.71181%0.808SS**  trans77.2102.3139.400000117.3
1108K26.2Very low24.7Very low202 Ų202146.1 Ų146.188%0.87881%0.814SS**  -164.5103.9128.4-103.8162.5-170.5-176.20109.8H1110K1108-H1110 PolarHBondContact O-N 3.45Å
1109T22.2Very low24.7Very low136 Ų136143.3 Ų143.383%0.83482%0.815SS**  trans-56114.5166.641.80000110.7
1110H25.4Very low24.8Very low180 Ų180144.8 Ų144.883%0.83381%0.81SS**  trans-129.1115.5153.2-94.9-69.3000108.9K1108 G1112K1108-H1110 PolarHBondContact O-N 3.45Å; H1110-G1112 PolarHBondContact O-N 3.1Å
1111T23.6Very low24.7Very low143 Ų143149.5 Ų149.588%0.87782%0.817SS**  trans-60.1115.7174.346.70000110.5
1112G23.8Very low24.7Very low67 Ų67148.3 Ų148.369%0.69182%0.815SS**  trans-140.5122.7170.400000108.8H1110 Q1114H1110-G1112 PolarHBondContact O-N 3.1Å; G1112-Q1114 PolarHBondContact O-N 2.8Å
1113S25.8Very low24.9Very low105 Ų105145.8 Ų145.873%0.73481%0.81SS**  trans-43.7118.1-174.249.20000115.2H1115S1113-H1115 PolarHBondContact O-N 3.15Å
1114Q24.2Very low25.2Very low189 Ų189143.3 Ų143.388%0.88383%0.828SS**  trans-71.7112164.6-94.6173.6-44.400109.4G1112 D1116G1112-Q1114 PolarHBondContact O-N 2.8Å; Q1114-D1116 PolarHBondContact O-N 2.88Å
1115H26Very low25.4Very low168 Ų168144.4 Ų144.478%0.77883%0.827SS**  trans-71.3111159.8-82.8-85000108.3S1113 V1117S1113-H1115 PolarHBondContact O-N 3.15Å; H1115-V1117 PolarHBondContact O-N 3.49Å
1116D26Very low25.4Very low152 Ų152148.4 Ų148.481%0.81383%0.834SS**  trans-68.7109.1169.2-90.8-29.1000109.5Q1114 Q1118Q1114-D1116 PolarHBondContact O-N 2.88Å; D1116-Q1118 PolarHBondContact O-N 3.13Å
1117V23.6Very low25.1Very low126 Ų126149.3 Ų149.376%0.76483%0.833SS**  trans-7897.3173.2177.40000108.1H1115 L1119H1115-V1117 PolarHBondContact O-N 3.49Å; V1117-L1119 PolarHBondContact O-N 3.21Å
1118Q24.1Very low25.2Very low185 Ų185154.1 Ų154.186%0.86484%0.84SS**  trans-76.9107168.8-76.9-159.1-12.200110.7D1116 K1120D1116-Q1118 PolarHBondContact O-N 3.13Å; Q1118-K1120 PolarHBondContact O-N 3.26Å; Q1118-K1120 VanDerWaalsContact O-N 3.14Å
1119L24.9Very low25.2Very low166 Ų166151.1 Ų151.187%0.86984%0.837SS**  trans-68.4100.3168.6-86.3141.3000110.2V1117 K1121V1117-L1119 PolarHBondContact O-N 3.21Å; L1119-K1121 PolarHBondContact O-N 3.04Å
1120K23.9Very low25.3Very low162 Ų162152.1 Ų152.170%0.70484%0.838SS**  trans-75.1101.7174.3-134.7175.2-172.4174.70109.5Q1118 V1122Q1118-K1120 PolarHBondContact O-N 3.26Å; Q1118-K1120 VanDerWaalsContact O-N 3.14Å; K1120-V1122 PolarHBondContact O-N 3.09Å
1121K25Very low25.3Very low206 Ų206150.1 Ų150.190%0.89684%0.838SS**  trans-81.399.2173.4-150178.1-173.2-176.80108.2L1119 S1123L1119-K1121 PolarHBondContact O-N 3.04Å; K1121-S1123 PolarHBondContact O-N 3.19Å
1122V26Very low25.5Very low125 Ų125150.6 Ų150.676%0.75884%0.835SS**  trans-82.1106.3174.3-177.70000107.4K1120K1120-V1122 PolarHBondContact O-N 3.09Å
1123S26.7Very low25.6Very low111 Ų111157.6 Ų157.678%0.77685%0.847SS**  trans-102.8121.7162.761.20000108K1121K1121-S1123 PolarHBondContact O-N 3.19Å
1124C31.4Very low25.6Very low196 Ų196162.4 Ų162.4100%1.32486%0.857SS**  trans-59.50168.5-66.50000111.5

Retrieved 1,124 of 1,124 residues in 1972.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).