A0A087Y5R8_POEFO Loading...

CCZ1 homolog, vacuolar protein trafficking and biogenesis associated

AlphaFold DB , UniProt , Accession A0A087Y5R8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 480 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
1M39Very low34.4Very low231 Ų231146.1 Ų146.1100%1.13883%0.834SS**  091.50-166.5177.7-170.600107.8
2L28.7Very low36.1Very low171 Ų171139.8 Ų139.890%0.89581%0.813SS**  trans-15695.5166.5-104.1160.8000104.6I4L2-I4 PolarHBondContact O-N 2.92Å
3M28.5Very low38.1Very low171 Ų171143.1 Ų143.184%0.84282%0.816SS**  trans-72.6120.7178.5-66.1-167.2-158.900108.7
4I33.3Very low40.9Very low167 Ų167139.1 Ų139.186%0.85679%0.791SS**  trans-85.3109.9165.3-59.4174.6000106.3L2L2-I4 PolarHBondContact O-N 2.92Å
5S29Very low43.7Very low98 Ų98137.7 Ų137.769%0.68577%0.772SS**  trans-68.3135171.8-77.30000110.7K7S5-K7 PolarHBondContact O-N 3.45Å
6P36.3Very low46.2Very low114 Ų114136.4 Ų136.474%0.7476%0.759SS**  trans-85.396.716531.5-25.8000108.8M8P6-M8 VanDerWaalsContact C-N 3.33Å; P6-M8 PolarHBondContact O-N 3.29Å
7K30.5Very low48.6Very low204 Ų204132.4 Ų132.489%0.88773%0.73SS**  trans-79.990.3155.3-87.5-173175.1-179.70107.3S5 A9S5-K7 PolarHBondContact O-N 3.45Å; K7-A9 PolarHBondContact O-N 2.96Å; K7-A9 VanDerWaalsContact O-N 3.1Å
8M33.3Very low50.8Low174 Ų174129.2 Ų129.286%0.85771%0.714SS**  trans-65.3103.4159.4-75-167.8-135.200107.7P6 S10P6-M8 VanDerWaalsContact C-N 3.33Å; P6-M8 PolarHBondContact O-N 3.29Å; M8-S10 VanDerWaalsContact C-N 3.32Å; M8-S10 PolarHBondContact O-N 3.13Å
9A35.5Very low52.9Low99 Ų99123.4 Ų123.482%0.81868%0.683SS**  trans-75.790.3158.100000107.2K7 G11K7-A9 PolarHBondContact O-N 2.96Å; K7-A9 VanDerWaalsContact O-N 3.1Å; A9-G11 PolarHBondContact O-N 2.85Å
10S41.5Very low54.9Low116 Ų116119.5 Ų119.581%0.81167%0.665SS**  trans-73.679162.460.50000107.9M8 A12M8-S10 VanDerWaalsContact C-N 3.32Å; M8-S10 PolarHBondContact O-N 3.13Å; S10-A12 PolarHBondContact O-N 3.4Å
11G43.2Very low56.9Low62 Ų62116 Ų11664%0.63965%0.645SS**  trans-64.4120162.700000107.5A9 Q13A9-G11 PolarHBondContact O-N 2.85Å; G11-Q13 PolarHBondContact O-N 3.42Å
12A54.3Low59.6Low71 Ų71107.5 Ų107.559%0.58760%0.604SS**  trans-57.8110.7170.500000107.4S10 P111S10-A12 PolarHBondContact O-N 3.4Å; A12-P111 HydrophobicContact CB-CB 3.89Å; A12-P111 HydrophobicContact CB-CG 3.46Å; A12-P111 VanDerWaalsContact CB-CG 3.46Å
13Q62.9Low62.9Low182 Ų18299.9 Ų99.985%0.8557%0.565SS**  trans-84.4133.8-173.7-152171.42.100108.4G11 K15G11-Q13 PolarHBondContact O-N 3.42Å; Q13-K15 PolarHBondContact O-N 3.35Å
14D77.4Confident66.2Low87 Ų8791.8 Ų91.847%0.46553%0.525SS..  trans-58.8132.8176.6-69.2-15.4000109.7I108 P111D14-I108 HydrophobicContact CB-CG2 3.87Å; D14-P111 VanDerWaalsContact OD1-CD 3.28Å; D14-P111 WeakPolarHBondContact OD1-CD 3.25Å
15K82.9Confident69.3Low118 Ų11883.9 Ų83.951%0.51349%0.485SS..EExtended strand (participates in β ladder)trans-96.7112.2179.5-172.6177.8175.9-162.10109.2Q13 Y17 E109Q13-K15 PolarHBondContact O-N 3.35Å; K15-Y17 HydrophobicContact CB-CE2 4.35Å; K15-Y17 HydrophobicContact CD-CE1 4.49Å; K15-Y17 HydrophobicContact CD-CE2 4.05Å; K15-Y17 WeakPolarHBondContact CD-OH 3.36Å; K15-Y17 VanDerWaalsContact CE-OH 3.25Å; K15-Y17 WeakPolarHBondContact CE-OH 3.46Å; K15-Y17 HydrophobicContact CG-CE2 3.91Å; K15-Y17 PolarHBondContact NZ-OH 2.91Å; K15-E109 HydrophobicContact CB-CB 4.25Å; K15-E109 PolarHBondContact N-O 3.14Å; K15-E109 VanDerWaalsContact N-O 3.07Å; K15-E109 PolarHBondContact O-N 3.42Å
16Q83.3Confident72.6Confident118 Ų11879.2 Ų79.255%0.55145%0.452SS*.EExtended strand (participates in β ladder)trans-92.3138.7177.7-16617314.300110.7M107 I108 Q123Q16-M107 CarbonylContact C-O 3.56Å; Q16-M107 WeakPolarHBondContact CA-O 3.28Å; Q16-I108 HydrophobicContact CG-CG1 4.25Å; Q16-Q123 VanDerWaalsContact NE2-OE1 3.15Å
17Y86.9Confident75.6Confident68 Ų6873.9 Ų73.927%0.26742%0.417SS..EExtended strand (participates in β ladder)trans-118.4132.7176-62.1-99.5000109.3K15 P106 M107 E109K15-Y17 HydrophobicContact CB-CE2 4.35Å; K15-Y17 HydrophobicContact CD-CE1 4.49Å; K15-Y17 HydrophobicContact CD-CE2 4.05Å; K15-Y17 WeakPolarHBondContact CD-OH 3.36Å; K15-Y17 VanDerWaalsContact CE-OH 3.25Å; K15-Y17 WeakPolarHBondContact CE-OH 3.46Å; K15-Y17 HydrophobicContact CG-CE2 3.91Å; K15-Y17 PolarHBondContact NZ-OH 2.91Å; Y17-P106 WeakPolarHBondContact O-CA 3.11Å; Y17-M107 HydrophobicContact CD1-CE 3.61Å; Y17-M107 HydrophobicContact CD2-CE 3.51Å; Y17-M107 HydrophobicContact CD2-CG 3.75Å; Y17-M107 HydrophobicContact CD2-SD 4.39Å; Y17-M107 HydrophobicContact CE1-CE 3.99Å; Y17-M107 HydrophobicContact CE2-CE 3.89Å; Y17-M107 HydrophobicContact CG-CE 3.34Å; Y17-M107 HydrophobicContact CG-CG 3.93Å; Y17-M107 PolarHBondContact N-O 3.44Å; Y17-M107 PolarHBondContact O-N 3.1Å; Y17-M107 VanDerWaalsContact O-N 3.12Å; Y17-E109 HydrophobicContact CE2-CB 3.85Å; Y17-E109 VanDerWaalsContact CE2-OE2 3.24Å; Y17-E109 WeakPolarHBondContact CE2-OE2 3.27Å; Y17-E109 PolarHBondContact OH-OE2 2.81Å
18T88.1Confident78.8Confident74 Ų7464.4 Ų64.445%0.45438%0.376SS..  trans-81.2164.7-175.755.10000112.4S20 Q180T18-S20 PolarHBondContact O-N 3.5Å; T18-Q180 HydrophobicContact CG2-CB 4.22Å; T18-Q180 PolarHBondContact OG1-OE1 3.31Å; T18-Q180 VanDerWaalsContact OG1-OE1 3.09Å
19P91.1Very high81.7Confident19 Ų1957.5 Ų57.512%0.12334%0.344CS..  trans-54.3137.5172.2-18.626000111.5V103 P106 L127 Y132 L179P19-V103 HydrophobicContact CB-CG1 3.9Å; P19-P106 HydrophobicContact CG-CG 3.79Å; P19-L127 HydrophobicContact CB-CD2 3.9Å; P19-L127 HydrophobicContact CG-CD2 3.71Å; P19-Y132 WeakPolarHBondContact CG-OH 3.16Å; P19-L179 HydrophobicContact CB-CB 4.46Å
20S93.3Very high84.5Confident46 Ų4656.3 Ų56.332%0.32233%0.327SS..EExtended strand (participates in β ladder)trans-138.4146.8178.4490000111.7T18 L22 V103 R104T18-S20 PolarHBondContact O-N 3.5Å; S20-L22 PolarHBondContact O-N 3.29Å; S20-V103 WeakPolarHBondContact O-CA 3.37Å; S20-R104 PolarHBondContact O-N 2.82Å
21L96.3Very high86.9Confident45 Ų4552.6 Ų52.624%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-71.9121.2176.8-173.664.5000109.3F24 M101 L174 L179L21-F24 HydrophobicContact CD1-CB 4.28Å; L21-F24 HydrophobicContact CD2-CB 4.19Å; L21-M101 HydrophobicContact CD1-CG 3.59Å; L21-M101 HydrophobicContact CD1-SD 4.36Å; L21-L174 HydrophobicContact CD2-CB 4.33Å; L21-L174 HydrophobicContact CD2-CD1 4.4Å; L21-L174 HydrophobicContact CD2-CD2 4.27Å; L21-L179 HydrophobicContact CB-CD1 3.81Å; L21-L179 HydrophobicContact CD1-CD1 4.47Å
22L96.2Very high89.1Confident53 Ų5350 Ų5028%0.27727%0.27SS..EExtended strand (participates in β ladder)trans-93.7-47176-65.7-178.9000111.5S20 P47 N86 V102 R104S20-L22 PolarHBondContact O-N 3.29Å; L22-P47 VanDerWaalsContact O-CD 3.31Å; L22-P47 WeakPolarHBondContact O-CD 3.42Å; L22-N86 HydrophobicContact CD1-CB 3.73Å; L22-V102 HydrophobicContact CB-CB 4.39Å; L22-V102 HydrophobicContact CB-CG1 4.13Å; L22-V102 HydrophobicContact CD1-CG1 4.21Å; L22-V102 PolarHBondContact N-O 2.88Å; L22-R104 HydrophobicContact CD1-CB 3.92Å; L22-R104 HydrophobicContact CD1-CG 4.45Å; L22-R104 HydrophobicContact CD2-CB 4.01Å; L22-R104 HydrophobicContact CG-CB 3.89Å
23S97.2Very high90.5Very high12 Ų1252 Ų528%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-150.2150.3173.859.20000111.5H46 V102S23-H46 CarbonylContact C-O 3.58Å; S23-H46 WeakPolarHBondContact CA-O 3.46Å; S23-V102 PolarHBondContact N-O 3.46Å; S23-V102 PolarHBondContact O-N 2.86Å; S23-V102 WeakPolarHBondContact OG-CB 3.3Å; S23-V102 WeakPolarHBondContact OG-CG2 3.34Å
24F98.4Very high91.7Very high0 Ų052.3 Ų52.30%027%0.27CS..EExtended strand (participates in β ladder)trans-138.3124.3171.3-176.2-81.1000107.9L21 I26 F44 H46 I99 V100 M101 C139 F170 L174L21-F24 HydrophobicContact CD1-CB 4.28Å; L21-F24 HydrophobicContact CD2-CB 4.19Å; F24-I26 HydrophobicContact CE1-CD1 4.07Å; F24-I26 HydrophobicContact CE1-CG1 3.99Å; F24-F44 AromaticContact CD1-CD1 3.96Å; F24-F44 HydrophobicContact CD1-CD1 3.96Å; F24-F44 AromaticContact CD1-CE1 3.8Å; F24-F44 HydrophobicContact CD1-CE1 3.8Å; F24-F44 HydrophobicContact CE1-CD1 4.33Å; F24-F44 HydrophobicContact CE1-CE1 4.39Å; F24-H46 HydrophobicContact CB-CB 4.46Å; F24-H46 PolarHBondContact N-O 3.42Å; F24-H46 PolarHBondContact O-N 3.42Å; F24-I99 HydrophobicContact CE1-CG2 3.99Å; F24-I99 HydrophobicContact CE2-CG2 3.61Å; F24-I99 HydrophobicContact CZ-CG2 3.29Å; F24-V100 VanDerWaalsContact CA-O 3.32Å; F24-V100 WeakPolarHBondContact CA-O 3.42Å; F24-M101 HydrophobicContact CD2-CB 4.02Å; F24-M101 HydrophobicContact CD2-CG 4.19Å; F24-M101 HydrophobicContact CE2-CB 4.46Å; F24-C139 HydrophobicContact CE2-CB 4.21Å; F24-C139 HydrophobicContact CZ-CB 4.19Å; F24-F170 AromaticContact CE1-CD1 3.73Å; F24-F170 HydrophobicContact CE1-CD1 3.73Å; F24-F170 AromaticContact CE1-CE1 3.8Å; F24-F170 HydrophobicContact CE1-CE1 3.8Å; F24-F170 HydrophobicContact CE1-CG 4.15Å; F24-F170 HydrophobicContact CE1-CZ 4.27Å; F24-F170 AromaticContact CZ-CD1 3.99Å; F24-F170 HydrophobicContact CZ-CD1 3.99Å; F24-F170 AromaticContact CZ-CE1 3.67Å; F24-F170 HydrophobicContact CZ-CE1 3.67Å; F24-F170 HydrophobicContact CZ-CZ 4.23Å; F24-L174 HydrophobicContact CB-CD1 3.82Å; F24-L174 HydrophobicContact CB-CD2 4.28Å; F24-L174 HydrophobicContact CD1-CD1 3.88Å; F24-L174 HydrophobicContact CD1-CD2 4.1Å; F24-L174 HydrophobicContact CD2-CD2 3.79Å; F24-L174 HydrophobicContact CE1-CD2 4.34Å; F24-L174 HydrophobicContact CE2-CD2 4.06Å; F24-L174 HydrophobicContact CG-CD1 3.91Å; F24-L174 HydrophobicContact CG-CD2 3.8Å; F24-L174 HydrophobicContact CZ-CD2 4.31Å
25F98.3Very high92.1Very high2 Ų257.4 Ų57.41%0.00929%0.291CS..EExtended strand (participates in β ladder)trans-145.6153.5-178.256.2-89.7000112.3Y27 F44 Y45 V59 C62 V100 V102F25-Y27 HydrophobicContact CD2-CD1 4.03Å; F25-Y27 HydrophobicContact CE2-CD1 4.02Å; F25-Y27 HydrophobicContact CE2-CE1 4.25Å; F25-F44 CarbonylContact C-O 3.56Å; F25-F44 WeakPolarHBondContact CA-O 3.27Å; F25-F44 WeakPolarHBondContact CB-O 3.38Å; F25-Y45 HydrophobicContact CB-CD2 3.42Å; F25-Y45 VanDerWaalsContact CB-CD2 3.42Å; F25-Y45 HydrophobicContact CB-CE2 3.91Å; F25-Y45 HydrophobicContact CB-CG 3.99Å; F25-Y45 HydrophobicContact CD1-CD2 4.1Å; F25-Y45 AromaticContact CD1-CE2 3.66Å; F25-Y45 HydrophobicContact CD1-CE2 3.66Å; F25-Y45 HydrophobicContact CE1-CE2 4.33Å; F25-Y45 AromaticContact CG-CD2 3.88Å; F25-Y45 HydrophobicContact CG-CD2 3.88Å; F25-Y45 AromaticContact CG-CE2 3.87Å; F25-Y45 HydrophobicContact CG-CE2 3.87Å; F25-V59 HydrophobicContact CD2-CG2 3.68Å; F25-V59 HydrophobicContact CE2-CG2 3.73Å; F25-C62 VanDerWaalsContact CZ-SG 3.58Å; F25-V100 HydrophobicContact CD1-CB 4.27Å; F25-V100 HydrophobicContact CD2-CB 3.94Å; F25-V100 HydrophobicContact CD2-CG2 4.11Å; F25-V100 HydrophobicContact CE1-CB 3.85Å; F25-V100 HydrophobicContact CE1-CG1 3.81Å; F25-V100 HydrophobicContact CE2-CB 3.49Å; F25-V100 VanDerWaalsContact CE2-CB 3.49Å; F25-V100 HydrophobicContact CE2-CG1 4.04Å; F25-V100 HydrophobicContact CE2-CG2 3.49Å; F25-V100 VanDerWaalsContact CE2-CG2 3.49Å; F25-V100 HydrophobicContact CG-CB 4.32Å; F25-V100 HydrophobicContact CZ-CB 3.45Å; F25-V100 VanDerWaalsContact CZ-CB 3.45Å; F25-V100 HydrophobicContact CZ-CG1 3.48Å; F25-V100 VanDerWaalsContact CZ-CG1 3.48Å; F25-V100 HydrophobicContact CZ-CG2 3.85Å; F25-V100 PolarHBondContact N-O 3.13Å; F25-V100 PolarHBondContact O-N 3.35Å; F25-V102 HydrophobicContact CE1-CG2 4.31Å
26I98.6Very high92.3Very high0 Ų054.8 Ų54.80%030%0.298CS..EExtended strand (participates in β ladder)trans-123.2130.2-179.8-53.9175.1000107F24 L43 F44 W98 I99 F150 L166 F170F24-I26 HydrophobicContact CE1-CD1 4.07Å; F24-I26 HydrophobicContact CE1-CG1 3.99Å; I26-L43 HydrophobicContact CB-CB 4.48Å; I26-L43 HydrophobicContact CG2-CB 4.37Å; I26-L43 HydrophobicContact CG2-CD1 4.35Å; I26-L43 PolarHBondContact O-N 2.87Å; I26-F44 HydrophobicContact CB-CB 4.12Å; I26-F44 HydrophobicContact CD1-CB 4.25Å; I26-F44 HydrophobicContact CG1-CB 4.25Å; I26-F44 HydrophobicContact CG1-CD1 4.47Å; I26-F44 PolarHBondContact N-O 3.06Å; I26-F44 PolarHBondContact O-N 2.95Å; I26-W98 CarbonylContact C-O 3.53Å; I26-W98 WeakPolarHBondContact CA-O 3.34Å; I26-W98 WeakPolarHBondContact CG2-O 3.24Å; I26-I99 HydrophobicContact CD1-CG1 4.48Å; I26-I99 HydrophobicContact CG1-CG1 4.14Å; I26-I99 HydrophobicContact CG1-CG2 4.47Å; I26-I99 HydrophobicContact CG2-CG1 4.48Å; I26-F150 HydrophobicContact CD1-CZ 4.35Å; I26-F150 HydrophobicContact CG2-CE2 4.45Å; I26-F150 HydrophobicContact CG2-CZ 4.46Å; I26-L166 HydrophobicContact CD1-CD1 4.28Å; I26-L166 HydrophobicContact CD1-CD2 3.64Å; I26-L166 HydrophobicContact CD1-CG 4.47Å; I26-L166 HydrophobicContact CG2-CD1 4.4Å; I26-F170 HydrophobicContact CD1-CD2 3.85Å; I26-F170 HydrophobicContact CD1-CE2 3.49Å; I26-F170 VanDerWaalsContact CD1-CE2 3.49Å; I26-F170 HydrophobicContact CD1-CZ 4.09Å
27Y97.9Very high92.7Very high2 Ų251.3 Ų51.31%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-140.6159.9179.575.1-86.7000111.7F25 P29 K41 V59 C62 E63 W98 V100F25-Y27 HydrophobicContact CD2-CD1 4.03Å; F25-Y27 HydrophobicContact CE2-CD1 4.02Å; F25-Y27 HydrophobicContact CE2-CE1 4.25Å; Y27-P29 HydrophobicContact CE2-CB 4.44Å; Y27-K41 CarbonylContact C-O 3.59Å; Y27-K41 WeakPolarHBondContact CA-O 3.21Å; Y27-K41 VanDerWaalsContact CB-O 3.26Å; Y27-K41 WeakPolarHBondContact CB-O 3.5Å; Y27-V59 HydrophobicContact CD1-CG1 4.2Å; Y27-V59 HydrophobicContact CD1-CG2 4.4Å; Y27-V59 HydrophobicContact CD2-CG1 3.72Å; Y27-V59 HydrophobicContact CE2-CG1 4.27Å; Y27-V59 HydrophobicContact CG-CG1 3.68Å; Y27-V59 HydrophobicContact CG-CG2 4.38Å; Y27-C62 HydrophobicContact CE1-CB 4.36Å; Y27-E63 HydrophobicContact CE2-CB 4.43Å; Y27-W98 HydrophobicContact CD1-CB 3.7Å; Y27-W98 HydrophobicContact CD2-CB 4.33Å; Y27-W98 HydrophobicContact CE1-CB 3.29Å; Y27-W98 HydrophobicContact CE1-CG 4.02Å; Y27-W98 HydrophobicContact CE2-CB 3.98Å; Y27-W98 HydrophobicContact CE2-CG 4.07Å; Y27-W98 HydrophobicContact CG-CB 4.2Å; Y27-W98 VanDerWaalsContact CZ-CB 3.44Å; Y27-W98 AromaticContact CZ-CG 3.65Å; Y27-W98 PolarHBondContact N-O 2.84Å; Y27-W98 PolarHBondContact O-N 2.76Å; Y27-V100 HydrophobicContact CD1-CG2 4.26Å; Y27-V100 HydrophobicContact CE1-CG2 3.71Å
28N97.3Very high93Very high4 Ų451.6 Ų51.62%0.02129%0.285CS..  trans-131.6115.6170.4-176-38.8000109.2T30 F31 K41 L43 N96 F97N28-T30 PolarHBondContact O-N 2.66Å; N28-T30 WeakPolarHBondContact OD1-CB 3.44Å; N28-T30 PolarHBondContact OD1-N 3.37Å; N28-T30 PolarHBondContact OD1-OG1 3.49Å; N28-F31 HydrophobicContact CB-CD2 3.78Å; N28-F31 HydrophobicContact CB-CE2 3.8Å; N28-F31 HydrophobicContact CB-CG 4.19Å; N28-F31 HydrophobicContact CB-CZ 4.24Å; N28-F31 PolarHBondContact O-N 2.93Å; N28-K41 PolarHBondContact N-O 3.28Å; N28-K41 WeakPolarHBondContact O-CA 3.49Å; N28-L43 HydrophobicContact CB-CD1 4.05Å; N28-N96 VanDerWaalsContact CA-O 3.26Å; N28-N96 WeakPolarHBondContact CA-O 3.4Å; N28-N96 WeakPolarHBondContact CB-O 3.48Å; N28-N96 PolarHBondContact ND2-O 3.29Å; N28-N96 PolarHBondContact OD1-O 2.66Å; N28-F97 HydrophobicContact CB-CD1 4.08Å; N28-F97 HydrophobicContact CB-CE1 4.12Å; N28-F97 WeakPolarHBondContact ND2-CZ 3.23Å
29P94.4Very high93.3Very high30 Ų3052.3 Ų52.320%0.19528%0.283CS..THydrogen-bonded Turntrans-69.4-15.4-173.229-32.6000113.5Y27 F31 K41 E63 N96Y27-P29 HydrophobicContact CE2-CB 4.44Å; P29-F31 VanDerWaalsContact C-N 3.3Å; P29-K41 WeakPolarHBondContact O-CE 3.49Å; P29-E63 HydrophobicContact CB-CG 4.39Å; P29-E63 WeakPolarHBondContact CB-OE1 3.16Å; P29-N96 WeakPolarHBondContact CD-O 3.28Å
30T94.3Very high93.5Very high73 Ų7356.9 Ų56.945%0.44830%0.301SS..THydrogen-bonded Turntrans-78.3-14.8177.769.90000113.2N28 N96N28-T30 PolarHBondContact O-N 2.66Å; N28-T30 WeakPolarHBondContact OD1-CB 3.44Å; N28-T30 PolarHBondContact OD1-N 3.37Å; N28-T30 PolarHBondContact OD1-OG1 3.49Å; T30-N96 HydrophobicContact CG2-CB 3.9Å
31F93.4Very high93.6Very high38 Ų3856 Ų5617%0.16729%0.292CS..SBendtrans-84.9144.6177.6-60.5-14.2000110.5N28 P29 K40 K41 L43 F97 M154 V159N28-F31 HydrophobicContact CB-CD2 3.78Å; N28-F31 HydrophobicContact CB-CE2 3.8Å; N28-F31 HydrophobicContact CB-CG 4.19Å; N28-F31 HydrophobicContact CB-CZ 4.24Å; N28-F31 PolarHBondContact O-N 2.93Å; P29-F31 VanDerWaalsContact C-N 3.3Å; F31-K40 WeakPolarHBondContact CB-O 3.41Å; F31-K41 WeakPolarHBondContact O-CG 3.34Å; F31-L43 HydrophobicContact CD2-CD2 3.91Å; F31-L43 HydrophobicContact CE2-CD1 4.15Å; F31-L43 HydrophobicContact CE2-CD2 3.81Å; F31-L43 HydrophobicContact CE2-CG 4.44Å; F31-F97 HydrophobicContact CE2-CE1 4.31Å; F31-F97 HydrophobicContact CZ-CE1 4.37Å; F31-F97 HydrophobicContact CZ-CZ 4.22Å; F31-M154 HydrophobicContact CE1-CE 4.22Å; F31-M154 HydrophobicContact CE2-CE 4.38Å; F31-M154 HydrophobicContact CE2-SD 4.49Å; F31-M154 HydrophobicContact CZ-CE 3.57Å; F31-M154 HydrophobicContact CZ-SD 4.14Å; F31-V159 HydrophobicContact CD2-CG2 4.35Å; F31-V159 HydrophobicContact CE2-CG1 4.5Å; F31-V159 HydrophobicContact CE2-CG2 3.9Å; F31-V159 HydrophobicContact CZ-CG2 4.07Å
32G88.2Confident93.7Very high9 Ų955.1 Ų55.19%0.09329%0.287CS..  trans59.459.2-175.900000114R34G32-R34 PolarHBondContact O-N 3.49Å
33P84.9Confident93.7Very high113 Ų11352.8 Ų52.873%0.73428%0.275SS*.  trans-71.7-6.6-17530.9-37000114.2
34R87.8Confident93.8Very high187 Ų18753 Ų5371%0.70627%0.274SS*.SBendtrans-98148-178.8-61.3178.1-178.6173.21.4110.6G32 G36 E37G32-R34 PolarHBondContact O-N 3.49Å; R34-G36 PolarHBondContact O-N 3.1Å; R34-E37 HydrophobicContact CB-CG 4.07Å; R34-E37 WeakPolarHBondContact O-CB 3.29Å; R34-E37 PolarHBondContact O-N 2.71Å
35E84.9Confident93.8Very high194 Ų19453.9 Ų53.991%0.90728%0.278SS*.THydrogen-bonded Turntrans-56.2132172.4-170.3175.5-173.300110.4
36G87.5Confident93.7Very high63 Ų6356 Ų5665%0.64929%0.288SS*.THydrogen-bonded Turntrans87.8-1.6-174.500000114.9R34 E38R34-G36 PolarHBondContact O-N 3.1Å; G36-E38 WeakPolarHBondContact CA-OE2 3.49Å; G36-E38 PolarHBondContact N-OE1 2.62Å; G36-E38 PolarHBondContact N-OE2 3.31Å
37E91.9Very high93.6Very high46 Ų4657.9 Ų57.922%0.21530%0.299CS..  trans-104.713.5175.7-58.6-166.4143.700113.7R34 E39 K40R34-E37 HydrophobicContact CB-CG 4.07Å; R34-E37 WeakPolarHBondContact O-CB 3.29Å; R34-E37 PolarHBondContact O-N 2.71Å; E37-E39 PolarHBondContact O-N 2.88Å; E37-E39 VanDerWaalsContact O-N 3.1Å; E37-K40 HydrophobicContact CB-CD 4.05Å; E37-K40 HydrophobicContact CB-CG 4.35Å; E37-K40 VanDerWaalsContact CD-NZ 3.27Å; E37-K40 HydrophobicContact CG-CD 4.39Å; E37-K40 VanDerWaalsContact O-CB 3.3Å; E37-K40 WeakPolarHBondContact O-CB 3.35Å; E37-K40 PolarHBondContact O-N 2.88Å; E37-K40 IonicContact OE1-NZ 3.25Å; E37-K40 PolarHBondContact OE1-NZ 2.98Å; E37-K40 IonicContact OE2-NZ 2.58Å
38E92.6Very high93.3Very high73 Ų7360.9 Ų60.934%0.34132%0.321SS..G310 helixtrans-59.9-29.2-172.8-59.977.6-16900112.6G36 K40 K41 I56G36-E38 WeakPolarHBondContact CA-OE2 3.49Å; G36-E38 PolarHBondContact N-OE1 2.62Å; G36-E38 PolarHBondContact N-OE2 3.31Å; E38-K40 PolarHBondContact O-N 2.64Å; E38-K41 VanDerWaalsContact O-CB 3.32Å; E38-K41 WeakPolarHBondContact O-CB 3.47Å; E38-K41 PolarHBondContact O-N 2.75Å; E38-I56 HydrophobicContact CB-CG2 3.76Å; E38-I56 HydrophobicContact CG-CG2 4.49Å
39E94Very high93.1Very high89 Ų8967.8 Ų67.842%0.41635%0.353SS..G310 helixtrans-58.6-34173.5-176.9-178.2-13800112.5E37 K41 I42 K52 I56E37-E39 PolarHBondContact O-N 2.88Å; E37-E39 VanDerWaalsContact O-N 3.1Å; E39-K41 PolarHBondContact O-N 3.37Å; E39-K41 VanDerWaalsContact O-N 3.14Å; E39-I42 WeakPolarHBondContact O-CB 3.16Å; E39-I42 WeakPolarHBondContact O-CG1 3.42Å; E39-I42 PolarHBondContact O-N 2.9Å; E39-K52 WeakPolarHBondContact OE1-CD 3.34Å; E39-K52 WeakPolarHBondContact OE1-CE 3.35Å; E39-K52 IonicContact OE1-NZ 2.8Å; E39-K52 PolarHBondContact OE1-NZ 3.25Å; E39-K52 WeakPolarHBondContact OE2-CE 3.31Å; E39-K52 IonicContact OE2-NZ 3.45Å; E39-K52 PolarHBondContact OE2-NZ 2.95Å; E39-I56 HydrophobicContact CB-CD1 4.12Å; E39-I56 HydrophobicContact CB-CG1 4.36Å
40K95.1Very high93.1Very high116 Ų11668.9 Ų68.950%0.50436%0.357SS..G310 helixtrans-67-15.5-178.1-58.8-174.9-175.3174.10112.7F31 E37 E38 I42F31-K40 WeakPolarHBondContact CB-O 3.41Å; E37-K40 HydrophobicContact CB-CD 4.05Å; E37-K40 HydrophobicContact CB-CG 4.35Å; E37-K40 VanDerWaalsContact CD-NZ 3.27Å; E37-K40 HydrophobicContact CG-CD 4.39Å; E37-K40 VanDerWaalsContact O-CB 3.3Å; E37-K40 WeakPolarHBondContact O-CB 3.35Å; E37-K40 PolarHBondContact O-N 2.88Å; E37-K40 IonicContact OE1-NZ 3.25Å; E37-K40 PolarHBondContact OE1-NZ 2.98Å; E37-K40 IonicContact OE2-NZ 2.58Å; E38-K40 PolarHBondContact O-N 2.64Å; K40-I42 PolarHBondContact O-N 2.89Å
41K96.3Very high93.2Very high28 Ų2871.2 Ų71.212%0.12236%0.362CS..G310 helixtrans-66.6-27.4171.1-65.2-179.9178-165.10111.9Y27 N28 P29 F31 E38 E39 E63Y27-K41 CarbonylContact C-O 3.59Å; Y27-K41 WeakPolarHBondContact CA-O 3.21Å; Y27-K41 VanDerWaalsContact CB-O 3.26Å; Y27-K41 WeakPolarHBondContact CB-O 3.5Å; N28-K41 PolarHBondContact N-O 3.28Å; N28-K41 WeakPolarHBondContact O-CA 3.49Å; P29-K41 WeakPolarHBondContact O-CE 3.49Å; F31-K41 WeakPolarHBondContact O-CG 3.34Å; E38-K41 VanDerWaalsContact O-CB 3.32Å; E38-K41 WeakPolarHBondContact O-CB 3.47Å; E38-K41 PolarHBondContact O-N 2.75Å; E39-K41 PolarHBondContact O-N 3.37Å; E39-K41 VanDerWaalsContact O-N 3.14Å; K41-E63 IonicContact NZ-OE1 2.63Å; K41-E63 PolarHBondContact NZ-OE1 3.49Å; K41-E63 IonicContact NZ-OE2 2.82Å; K41-E63 PolarHBondContact NZ-OE2 3.02Å
42I97.6Very high93.2Very high26 Ų2674.1 Ų74.113%0.13338%0.375CS..EExtended strand (participates in β ladder)trans-85.4118.4-171.2-49.1175.2000109.3E39 K40 K55 I56 V59E39-I42 WeakPolarHBondContact O-CB 3.16Å; E39-I42 WeakPolarHBondContact O-CG1 3.42Å; E39-I42 PolarHBondContact O-N 2.9Å; K40-I42 PolarHBondContact O-N 2.89Å; I42-K55 HydrophobicContact CD1-CB 3.77Å; I42-I56 HydrophobicContact CD1-CG1 4.17Å; I42-V59 HydrophobicContact CD1-CG2 4.39Å; I42-V59 HydrophobicContact CG1-CG2 4.02Å
43L97.8Very high93.6Very high4 Ų478.5 Ų78.52%0.02140%0.396CS..EExtended strand (participates in β ladder)trans-100.8-29.7-179.2-62.5172.2000112.7I26 N28 F31 F97 V159 L162 I163 L166I26-L43 HydrophobicContact CB-CB 4.48Å; I26-L43 HydrophobicContact CG2-CB 4.37Å; I26-L43 HydrophobicContact CG2-CD1 4.35Å; I26-L43 PolarHBondContact O-N 2.87Å; N28-L43 HydrophobicContact CB-CD1 4.05Å; F31-L43 HydrophobicContact CD2-CD2 3.91Å; F31-L43 HydrophobicContact CE2-CD1 4.15Å; F31-L43 HydrophobicContact CE2-CD2 3.81Å; F31-L43 HydrophobicContact CE2-CG 4.44Å; L43-F97 HydrophobicContact CD1-CD1 3.67Å; L43-F97 HydrophobicContact CD1-CE1 3.54Å; L43-V159 HydrophobicContact CD2-CG1 3.78Å; L43-L162 HydrophobicContact CD1-CD2 4.03Å; L43-I163 HydrophobicContact CD2-CD1 4.39Å; L43-I163 HydrophobicContact CD2-CG1 4.09Å; L43-L166 HydrophobicContact CB-CD1 3.68Å
44F98.2Very high94.1Very high15 Ų1576.2 Ų76.27%0.06638%0.376CS..EExtended strand (participates in β ladder)trans-155.4144.1175.9176.6-97.5000109.6F24 F25 I26 H46 L166 E167 F170 L174F24-F44 AromaticContact CD1-CD1 3.96Å; F24-F44 HydrophobicContact CD1-CD1 3.96Å; F24-F44 AromaticContact CD1-CE1 3.8Å; F24-F44 HydrophobicContact CD1-CE1 3.8Å; F24-F44 HydrophobicContact CE1-CD1 4.33Å; F24-F44 HydrophobicContact CE1-CE1 4.39Å; F25-F44 CarbonylContact C-O 3.56Å; F25-F44 WeakPolarHBondContact CA-O 3.27Å; F25-F44 WeakPolarHBondContact CB-O 3.38Å; I26-F44 HydrophobicContact CB-CB 4.12Å; I26-F44 HydrophobicContact CD1-CB 4.25Å; I26-F44 HydrophobicContact CG1-CB 4.25Å; I26-F44 HydrophobicContact CG1-CD1 4.47Å; I26-F44 PolarHBondContact N-O 3.06Å; I26-F44 PolarHBondContact O-N 2.95Å; F44-H46 HydrophobicContact CE1-CB 3.71Å; F44-H46 HydrophobicContact CZ-CB 3.82Å; F44-L166 HydrophobicContact CB-CB 4.1Å; F44-L166 HydrophobicContact CB-CD1 4.19Å; F44-L166 HydrophobicContact CD2-CB 4.41Å; F44-L166 HydrophobicContact CG-CB 4.48Å; F44-E167 HydrophobicContact CD2-CG 4.12Å; F44-E167 HydrophobicContact CE2-CG 4.49Å; F44-F170 HydrophobicContact CD1-CB 4.26Å; F44-F170 HydrophobicContact CD2-CB 4.48Å; F44-F170 HydrophobicContact CE1-CB 3.67Å; F44-F170 HydrophobicContact CE1-CG 4.36Å; F44-F170 HydrophobicContact CE2-CB 3.91Å; F44-F170 HydrophobicContact CZ-CB 3.46Å; F44-F170 VanDerWaalsContact CZ-CB 3.46Å; F44-L174 HydrophobicContact CE1-CD1 3.89Å; F44-L174 HydrophobicContact CZ-CD1 4.14Å
45Y98.3Very high94.5Very high19 Ų1969.2 Ų69.28%0.07535%0.351CS..EExtended strand (participates in β ladder)trans-147.9126.4174.4-161.4-71.7000111.1F25 P47 I50 K55 N58F25-Y45 HydrophobicContact CB-CD2 3.42Å; F25-Y45 VanDerWaalsContact CB-CD2 3.42Å; F25-Y45 HydrophobicContact CB-CE2 3.91Å; F25-Y45 HydrophobicContact CB-CG 3.99Å; F25-Y45 HydrophobicContact CD1-CD2 4.1Å; F25-Y45 AromaticContact CD1-CE2 3.66Å; F25-Y45 HydrophobicContact CD1-CE2 3.66Å; F25-Y45 HydrophobicContact CE1-CE2 4.33Å; F25-Y45 AromaticContact CG-CD2 3.88Å; F25-Y45 HydrophobicContact CG-CD2 3.88Å; F25-Y45 AromaticContact CG-CE2 3.87Å; F25-Y45 HydrophobicContact CG-CE2 3.87Å; Y45-P47 VanDerWaalsContact CD1-O 3.31Å; Y45-P47 WeakPolarHBondContact CD1-O 3.43Å; Y45-I50 HydrophobicContact CD1-CB 4.49Å; Y45-I50 HydrophobicContact CE1-CB 3.97Å; Y45-I50 HydrophobicContact CE1-CG1 3.95Å; Y45-I50 HydrophobicContact CE1-CG2 4.16Å; Y45-K55 HydrophobicContact CD1-CD 4.08Å; Y45-K55 HydrophobicContact CD1-CG 3.94Å; Y45-K55 HydrophobicContact CD2-CB 3.88Å; Y45-K55 HydrophobicContact CD2-CD 4.16Å; Y45-K55 HydrophobicContact CD2-CG 3.73Å; Y45-K55 HydrophobicContact CE1-CG 4.08Å; Y45-K55 HydrophobicContact CE2-CB 3.98Å; Y45-K55 HydrophobicContact CE2-CG 3.87Å; Y45-K55 HydrophobicContact CG-CB 4.4Å; Y45-K55 HydrophobicContact CG-CD 3.81Å; Y45-K55 HydrophobicContact CG-CG 3.78Å; Y45-N58 HydrophobicContact CE2-CB 4.49Å; Y45-N58 PolarHBondContact OH-ND2 3.37Å
46H97.1Very high95.1Very high48 Ų4861.8 Ų61.822%0.22232%0.316CS..EExtended strand (participates in β ladder)trans-123.7135.2174177.779000110.1S23 F24 F44 L174S23-H46 CarbonylContact C-O 3.58Å; S23-H46 WeakPolarHBondContact CA-O 3.46Å; F24-H46 HydrophobicContact CB-CB 4.46Å; F24-H46 PolarHBondContact N-O 3.42Å; F24-H46 PolarHBondContact O-N 3.42Å; F44-H46 HydrophobicContact CE1-CB 3.71Å; F44-H46 HydrophobicContact CZ-CB 3.82Å; H46-L174 HydrophobicContact CB-CD1 3.72Å
47P95.9Very high95.5Very high38 Ų3865.7 Ų65.725%0.24731%0.312CS..SBendcis-65.7147.1-7.1-19.332.6000112.8L22 Y45 E49L22-P47 VanDerWaalsContact O-CD 3.31Å; L22-P47 WeakPolarHBondContact O-CD 3.42Å; Y45-P47 VanDerWaalsContact CD1-O 3.31Å; Y45-P47 WeakPolarHBondContact CD1-O 3.43Å; P47-E49 VanDerWaalsContact C-N 3.27Å; P47-E49 WeakPolarHBondContact CB-OE2 3.35Å; P47-E49 PolarHBondContact O-N 3.14Å
48S92.8Very high95.7Very high65 Ų6565.2 Ų65.246%0.45531%0.311SS..THydrogen-bonded Turntrans-75.6-19-173.656.20000112.8I50 K55S48-I50 PolarHBondContact O-N 3.09Å; S48-K55 PolarHBondContact O-NZ 3.41Å
49E93.2Very high95.9Very high150 Ų15061.9 Ų61.970%0.70130%0.295SS*.THydrogen-bonded Turntrans-74.3-12.5-176.4-56.579.6-175.400113.5P47P47-E49 VanDerWaalsContact C-N 3.27Å; P47-E49 WeakPolarHBondContact CB-OE2 3.35Å; P47-E49 PolarHBondContact O-N 3.14Å
50I94.4Very high96Very high52 Ų5259.3 Ų59.327%0.26729%0.292SS..SBendtrans-60.7139.4177.7-62.4-61000110.7Y45 S48 E54 K55Y45-I50 HydrophobicContact CD1-CB 4.49Å; Y45-I50 HydrophobicContact CE1-CB 3.97Å; Y45-I50 HydrophobicContact CE1-CG1 3.95Å; Y45-I50 HydrophobicContact CE1-CG2 4.16Å; S48-I50 PolarHBondContact O-N 3.09Å; I50-E54 HydrophobicContact CG2-CB 3.84Å; I50-E54 HydrophobicContact CG2-CG 3.54Å; I50-K55 HydrophobicContact CB-CG 4.33Å; I50-K55 HydrophobicContact CG2-CG 3.96Å; I50-K55 WeakPolarHBondContact O-CE 3.5Å; I50-K55 PolarHBondContact O-NZ 2.92Å
51E95.9Very high95.9Very high122 Ų12257.9 Ų57.957%0.5729%0.29SS*.  trans-59.8139.7-179-165.6-165.8147.100111.1N53 E54 K55E51-N53 VanDerWaalsContact C-N 3.3Å; E51-N53 PolarHBondContact O-N 3.07Å; E51-N53 PolarHBondContact OE1-ND2 3.4Å; E51-E54 HydrophobicContact CB-CB 4.44Å; E51-E54 WeakPolarHBondContact O-CB 3.14Å; E51-E54 PolarHBondContact O-N 3.48Å; E51-K55 PolarHBondContact O-N 3.07Å
52K93.8Very high95.8Very high99 Ų9956.6 Ų56.643%0.4328%0.284SS..Hα-helixtrans-48.7-47.6178.7175.5178.5167.4161.20113.3E39 E54 K55 I56E39-K52 WeakPolarHBondContact OE1-CD 3.34Å; E39-K52 WeakPolarHBondContact OE1-CE 3.35Å; E39-K52 IonicContact OE1-NZ 2.8Å; E39-K52 PolarHBondContact OE1-NZ 3.25Å; E39-K52 WeakPolarHBondContact OE2-CE 3.31Å; E39-K52 IonicContact OE2-NZ 3.45Å; E39-K52 PolarHBondContact OE2-NZ 2.95Å; K52-E54 VanDerWaalsContact C-N 3.27Å; K52-E54 PolarHBondContact O-N 3.32Å; K52-K55 WeakPolarHBondContact O-CB 3.29Å; K52-K55 PolarHBondContact O-N 3.38Å; K52-K55 VanDerWaalsContact O-N 3.17Å; K52-I56 HydrophobicContact CG-CD1 4.02Å; K52-I56 WeakPolarHBondContact O-CG1 3.32Å; K52-I56 PolarHBondContact O-N 3.15Å
53N95.1Very high95.6Very high101 Ų10158 Ų5854%0.5429%0.29SS..Hα-helixtrans-63.2-34.7-179.2-67-40.2000112.4E51 R57E51-N53 VanDerWaalsContact C-N 3.3Å; E51-N53 PolarHBondContact O-N 3.07Å; E51-N53 PolarHBondContact OE1-ND2 3.4Å; N53-R57 WeakPolarHBondContact O-CB 3.41Å; N53-R57 PolarHBondContact O-N 3.26Å
54E96.3Very high95.5Very high66 Ų6660.5 Ų60.531%0.30831%0.312SS..Hα-helixtrans-69.4-40.3175.2172.2157.5-138.500111.8I50 E51 K52 I56 R57 N58I50-E54 HydrophobicContact CG2-CB 3.84Å; I50-E54 HydrophobicContact CG2-CG 3.54Å; E51-E54 HydrophobicContact CB-CB 4.44Å; E51-E54 WeakPolarHBondContact O-CB 3.14Å; E51-E54 PolarHBondContact O-N 3.48Å; K52-E54 VanDerWaalsContact C-N 3.27Å; K52-E54 PolarHBondContact O-N 3.32Å; E54-I56 PolarHBondContact O-N 3.09Å; E54-R57 VanDerWaalsContact CG-NH2 3.33Å; E54-R57 PolarHBondContact O-N 2.95Å; E54-R57 IonicContact OE1-NH2 3.04Å; E54-R57 PolarHBondContact OE1-NH2 3.24Å; E54-N58 WeakPolarHBondContact O-CB 3.36Å; E54-N58 PolarHBondContact O-N 2.83Å; E54-N58 PolarHBondContact O-ND2 3.02Å; E54-N58 PolarHBondContact O-OD1 2.89Å
55K97Very high95.3Very high40 Ų4061.3 Ų61.317%0.17432%0.316CS..Hα-helixtrans-60.1-46.5174.3-60.1177.9174.7158.10111.6I42 Y45 S48 I50 E51 K52 R57 N58 V59I42-K55 HydrophobicContact CD1-CB 3.77Å; Y45-K55 HydrophobicContact CD1-CD 4.08Å; Y45-K55 HydrophobicContact CD1-CG 3.94Å; Y45-K55 HydrophobicContact CD2-CB 3.88Å; Y45-K55 HydrophobicContact CD2-CD 4.16Å; Y45-K55 HydrophobicContact CD2-CG 3.73Å; Y45-K55 HydrophobicContact CE1-CG 4.08Å; Y45-K55 HydrophobicContact CE2-CB 3.98Å; Y45-K55 HydrophobicContact CE2-CG 3.87Å; Y45-K55 HydrophobicContact CG-CB 4.4Å; Y45-K55 HydrophobicContact CG-CD 3.81Å; Y45-K55 HydrophobicContact CG-CG 3.78Å; S48-K55 PolarHBondContact O-NZ 3.41Å; I50-K55 HydrophobicContact CB-CG 4.33Å; I50-K55 HydrophobicContact CG2-CG 3.96Å; I50-K55 WeakPolarHBondContact O-CE 3.5Å; I50-K55 PolarHBondContact O-NZ 2.92Å; E51-K55 PolarHBondContact O-N 3.07Å; K52-K55 WeakPolarHBondContact O-CB 3.29Å; K52-K55 PolarHBondContact O-N 3.38Å; K52-K55 VanDerWaalsContact O-N 3.17Å; K55-R57 PolarHBondContact O-N 2.99Å; K55-N58 PolarHBondContact O-N 3.38Å; K55-V59 PolarHBondContact O-N 3.11Å
56I96.3Very high95Very high37 Ų3760.6 Ų60.619%0.1931%0.314CS..Hα-helixtrans-60.1-46.4177.1-66.5167.6000110.5E38 E39 I42 K52 E54 N58 V59 G60E38-I56 HydrophobicContact CB-CG2 3.76Å; E38-I56 HydrophobicContact CG-CG2 4.49Å; E39-I56 HydrophobicContact CB-CD1 4.12Å; E39-I56 HydrophobicContact CB-CG1 4.36Å; I42-I56 HydrophobicContact CD1-CG1 4.17Å; K52-I56 HydrophobicContact CG-CD1 4.02Å; K52-I56 WeakPolarHBondContact O-CG1 3.32Å; K52-I56 PolarHBondContact O-N 3.15Å; E54-I56 PolarHBondContact O-N 3.09Å; I56-N58 VanDerWaalsContact C-N 3.34Å; I56-N58 PolarHBondContact O-N 3.42Å; I56-V59 PolarHBondContact O-N 2.97Å; I56-G60 PolarHBondContact O-N 2.9Å
57R96.4Very high94.7Very high145 Ų14563.4 Ų63.455%0.54733%0.327SS..Hα-helixtrans-59.9-43.5177.8-175.1-176.167.1-130.92.2112.1N53 E54 K55 G60 L61N53-R57 WeakPolarHBondContact O-CB 3.41Å; N53-R57 PolarHBondContact O-N 3.26Å; E54-R57 VanDerWaalsContact CG-NH2 3.33Å; E54-R57 PolarHBondContact O-N 2.95Å; E54-R57 IonicContact OE1-NH2 3.04Å; E54-R57 PolarHBondContact OE1-NH2 3.24Å; K55-R57 PolarHBondContact O-N 2.99Å; R57-G60 PolarHBondContact O-N 3.33Å; R57-L61 WeakPolarHBondContact O-CB 3.4Å; R57-L61 PolarHBondContact O-N 3.34Å
58N95.9Very high94.6Very high37 Ų3767.8 Ų67.820%0.19834%0.343CS..Hα-helixtrans-66-43.9-179-68.8-13.4000111.5Y45 E54 K55 I56 L61 C62Y45-N58 HydrophobicContact CE2-CB 4.49Å; Y45-N58 PolarHBondContact OH-ND2 3.37Å; E54-N58 WeakPolarHBondContact O-CB 3.36Å; E54-N58 PolarHBondContact O-N 2.83Å; E54-N58 PolarHBondContact O-ND2 3.02Å; E54-N58 PolarHBondContact O-OD1 2.89Å; K55-N58 PolarHBondContact O-N 3.38Å; I56-N58 VanDerWaalsContact C-N 3.34Å; I56-N58 PolarHBondContact O-N 3.42Å; N58-L61 PolarHBondContact O-N 2.82Å; N58-C62 PolarHBondContact O-N 3.36Å; N58-C62 VanDerWaalsContact O-N 3.16Å; N58-C62 PolarHBondContact O-SG 2.98Å
59V96.3Very high94.7Very high3 Ų366.4 Ų66.42%0.01833%0.331CS..Hα-helixtrans-64.8-45.8175170.50000111.4F25 Y27 I42 K55 I56 L61 C62 E63F25-V59 HydrophobicContact CD2-CG2 3.68Å; F25-V59 HydrophobicContact CE2-CG2 3.73Å; Y27-V59 HydrophobicContact CD1-CG1 4.2Å; Y27-V59 HydrophobicContact CD1-CG2 4.4Å; Y27-V59 HydrophobicContact CD2-CG1 3.72Å; Y27-V59 HydrophobicContact CE2-CG1 4.27Å; Y27-V59 HydrophobicContact CG-CG1 3.68Å; Y27-V59 HydrophobicContact CG-CG2 4.38Å; I42-V59 HydrophobicContact CD1-CG2 4.39Å; I42-V59 HydrophobicContact CG1-CG2 4.02Å; K55-V59 PolarHBondContact O-N 3.11Å; I56-V59 PolarHBondContact O-N 2.97Å; V59-L61 VanDerWaalsContact C-N 3.31Å; V59-L61 PolarHBondContact O-N 2.77Å; V59-C62 PolarHBondContact O-N 3.45Å; V59-C62 VanDerWaalsContact O-N 3.12Å; V59-E63 WeakPolarHBondContact O-CB 3.38Å; V59-E63 PolarHBondContact O-N 2.89Å
60G95.6Very high94.5Very high34 Ų3462.6 Ų62.635%0.35131%0.31SS..Hα-helixtrans-60.3-38.6178.500000113.2I56 R57 A64I56-G60 PolarHBondContact O-N 2.9Å; R57-G60 PolarHBondContact O-N 3.33Å; G60-A64 VanDerWaalsContact O-CB 3.31Å; G60-A64 WeakPolarHBondContact O-CB 3.15Å; G60-A64 PolarHBondContact O-N 3.41Å
61L94.8Very high94.4Very high86 Ų8665.3 Ų65.345%0.4533%0.33SS..Hα-helixtrans-63.8-44.4173.8178.963.8000111.8R57 N58 V59 A64 I65R57-L61 WeakPolarHBondContact O-CB 3.4Å; R57-L61 PolarHBondContact O-N 3.34Å; N58-L61 PolarHBondContact O-N 2.82Å; V59-L61 VanDerWaalsContact C-N 3.31Å; V59-L61 PolarHBondContact O-N 2.77Å; L61-A64 PolarHBondContact O-N 3.16Å; L61-I65 HydrophobicContact CD1-CD1 3.99Å; L61-I65 HydrophobicContact CD1-CG1 4.32Å; L61-I65 HydrophobicContact CG-CD1 3.93Å; L61-I65 VanDerWaalsContact O-CG1 3.27Å; L61-I65 WeakPolarHBondContact O-CG1 3.37Å; L61-I65 PolarHBondContact O-N 3.43Å
62C94.3Very high94.3Very high1 Ų166.6 Ų66.61%0.00733%0.334CS..Hα-helixtrans-64.5-45179.5-64.10000111.7F25 Y27 N58 V59 A64 I65 V66 F90 V100F25-C62 VanDerWaalsContact CZ-SG 3.58Å; Y27-C62 HydrophobicContact CE1-CB 4.36Å; N58-C62 PolarHBondContact O-N 3.36Å; N58-C62 VanDerWaalsContact O-N 3.16Å; N58-C62 PolarHBondContact O-SG 2.98Å; V59-C62 PolarHBondContact O-N 3.45Å; V59-C62 VanDerWaalsContact O-N 3.12Å; C62-A64 VanDerWaalsContact C-N 3.33Å; C62-A64 PolarHBondContact O-N 2.78Å; C62-I65 PolarHBondContact O-N 2.97Å; C62-V66 WeakPolarHBondContact O-CB 3.38Å; C62-V66 WeakPolarHBondContact O-CG2 3.33Å; C62-V66 PolarHBondContact O-N 2.84Å; C62-F90 HydrophobicContact CB-CD1 4.43Å; C62-F90 HydrophobicContact CB-CE1 4.05Å; C62-V100 HydrophobicContact CB-CG2 4.49Å
63E93.4Very high94Very high55 Ų5564.2 Ų64.226%0.25733%0.329SS..Hα-helixtrans-58.1-46.5175.6-176.3177.8-172.900110.8Y27 P29 K41 V59 I65 V66 Q67Y27-E63 HydrophobicContact CE2-CB 4.43Å; P29-E63 HydrophobicContact CB-CG 4.39Å; P29-E63 WeakPolarHBondContact CB-OE1 3.16Å; K41-E63 IonicContact NZ-OE1 2.63Å; K41-E63 PolarHBondContact NZ-OE1 3.49Å; K41-E63 IonicContact NZ-OE2 2.82Å; K41-E63 PolarHBondContact NZ-OE2 3.02Å; V59-E63 WeakPolarHBondContact O-CB 3.38Å; V59-E63 PolarHBondContact O-N 2.89Å; E63-I65 PolarHBondContact O-N 3.35Å; E63-V66 PolarHBondContact O-N 2.85Å; E63-Q67 VanDerWaalsContact O-CB 3.28Å; E63-Q67 WeakPolarHBondContact O-CB 3.48Å; E63-Q67 PolarHBondContact O-N 3.3Å
64A94.3Very high93.4Very high57 Ų5764.2 Ų64.247%0.47134%0.335SS..Hα-helixtrans-61.8-42.8177.700000112.6G60 L61 C62 Q67 F68G60-A64 VanDerWaalsContact O-CB 3.31Å; G60-A64 WeakPolarHBondContact O-CB 3.15Å; G60-A64 PolarHBondContact O-N 3.41Å; L61-A64 PolarHBondContact O-N 3.16Å; C62-A64 VanDerWaalsContact C-N 3.33Å; C62-A64 PolarHBondContact O-N 2.78Å; A64-Q67 PolarHBondContact O-N 3.08Å; A64-F68 WeakPolarHBondContact O-CB 3.47Å; A64-F68 PolarHBondContact O-N 2.89Å
65I94.6Very high92.8Very high32 Ų3266.9 Ų66.916%0.16436%0.355CS..Hα-helixtrans-65.3-47.6178.5-70168.8000111.1L61 C62 E63 Q67 F68 T69 A78 L81 F90L61-I65 HydrophobicContact CD1-CD1 3.99Å; L61-I65 HydrophobicContact CD1-CG1 4.32Å; L61-I65 HydrophobicContact CG-CD1 3.93Å; L61-I65 VanDerWaalsContact O-CG1 3.27Å; L61-I65 WeakPolarHBondContact O-CG1 3.37Å; L61-I65 PolarHBondContact O-N 3.43Å; C62-I65 PolarHBondContact O-N 2.97Å; E63-I65 PolarHBondContact O-N 3.35Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.14Å; I65-F68 PolarHBondContact O-N 2.73Å; I65-T69 WeakPolarHBondContact O-CG2 3.25Å; I65-T69 PolarHBondContact O-N 3.29Å; I65-T69 PolarHBondContact O-OG1 3.03Å; I65-A78 HydrophobicContact CG2-CB 4.05Å; I65-L81 HydrophobicContact CD1-CD1 4.44Å; I65-L81 HydrophobicContact CD1-CD2 3.7Å; I65-F90 HydrophobicContact CG2-CE2 4.46Å
66V91.6Very high92.1Very high4 Ų471.9 Ų71.92%0.02438%0.377CS..Hα-helixtrans-59.3-48177.6166.80000109.8C62 E63 T69 R70 P77 W98C62-V66 WeakPolarHBondContact O-CB 3.38Å; C62-V66 WeakPolarHBondContact O-CG2 3.33Å; C62-V66 PolarHBondContact O-N 2.84Å; E63-V66 PolarHBondContact O-N 2.85Å; V66-T69 PolarHBondContact O-N 3.49Å; V66-T69 PolarHBondContact O-OG1 3.32Å; V66-R70 WeakPolarHBondContact O-CG 3.37Å; V66-R70 PolarHBondContact O-N 2.96Å; V66-P77 HydrophobicContact CG1-CB 3.95Å; V66-W98 HydrophobicContact CB-CH2 4.38Å; V66-W98 HydrophobicContact CG1-CH2 3.49Å; V66-W98 VanDerWaalsContact CG1-CH2 3.49Å; V66-W98 HydrophobicContact CG1-CZ2 3.51Å; V66-W98 HydrophobicContact CG1-CZ3 4.24Å; V66-W98 HydrophobicContact CG2-CE3 4.3Å; V66-W98 HydrophobicContact CG2-CH2 3.92Å; V66-W98 HydrophobicContact CG2-CZ2 4.49Å; V66-W98 HydrophobicContact CG2-CZ3 3.81Å
67Q91.1Very high91.6Very high108 Ų10871.4 Ų71.451%0.50538%0.376SS..Hα-helixtrans-68.1-39.4-178.6-170.460.416.800112.7E63 A64 I65 R70 T71E63-Q67 VanDerWaalsContact O-CB 3.28Å; E63-Q67 WeakPolarHBondContact O-CB 3.48Å; E63-Q67 PolarHBondContact O-N 3.3Å; A64-Q67 PolarHBondContact O-N 3.08Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.14Å; Q67-R70 PolarHBondContact O-N 3.37Å; Q67-T71 PolarHBondContact O-OG1 2.69Å
68F94.1Very high91.3Very high130 Ų13065.5 Ų65.557%0.5736%0.358SS*.Hα-helixtrans-58.9-48.8173.4174-102.6000110.8A64 I65 R70 T71 F72A64-F68 WeakPolarHBondContact O-CB 3.47Å; A64-F68 PolarHBondContact O-N 2.89Å; I65-F68 PolarHBondContact O-N 2.73Å; F68-R70 PolarHBondContact O-N 3.49Å; F68-T71 WeakPolarHBondContact O-CB 3.5Å; F68-T71 PolarHBondContact O-N 3.38Å; F68-T71 VanDerWaalsContact O-N 3.08Å; F68-T71 PolarHBondContact O-OG1 3.44Å; F68-F72 HydrophobicContact CD1-CE2 4.05Å; F68-F72 HydrophobicContact CD2-CE2 4.16Å; F68-F72 HydrophobicContact CE1-CD2 4.36Å; F68-F72 AromaticContact CE1-CE2 3.56Å; F68-F72 HydrophobicContact CE1-CE2 3.56Å; F68-F72 HydrophobicContact CE1-CZ 4.29Å; F68-F72 AromaticContact CE2-CE2 3.69Å; F68-F72 HydrophobicContact CE2-CE2 3.69Å; F68-F72 HydrophobicContact CE2-CZ 4.05Å; F68-F72 HydrophobicContact CG-CE2 4.34Å; F68-F72 AromaticContact CZ-CE2 3.37Å; F68-F72 HydrophobicContact CZ-CE2 3.37Å; F68-F72 AromaticContact CZ-CZ 3.72Å; F68-F72 HydrophobicContact CZ-CZ 3.72Å; F68-F72 WeakPolarHBondContact O-CD2 3.32Å
69T93.4Very high91.1Very high35 Ų3569.9 Ų69.922%0.21538%0.376CS..Hα-helixtrans-68.7-29.9-178.954.30000113.8I65 V66 T71 F72 C73 A78I65-T69 WeakPolarHBondContact O-CG2 3.25Å; I65-T69 PolarHBondContact O-N 3.29Å; I65-T69 PolarHBondContact O-OG1 3.03Å; V66-T69 PolarHBondContact O-N 3.49Å; V66-T69 PolarHBondContact O-OG1 3.32Å; T69-T71 PolarHBondContact O-N 3.33Å; T69-F72 PolarHBondContact O-N 3.3Å; T69-C73 PolarHBondContact O-N 3.47Å; T69-A78 HydrophobicContact CG2-CB 3.93Å; T69-A78 WeakPolarHBondContact OG1-CB 3.42Å; T69-A78 PolarHBondContact OG1-N 3.47Å
70R90.7Very high91Very high70 Ų7071.3 Ų71.326%0.26439%0.386SS..Hα-helixtrans-57.6-26.9170.1-76.3178.6172.9178.6-7.1112.9V66 Q67 F68 F72 C73 P74 P77 E92V66-R70 WeakPolarHBondContact O-CG 3.37Å; V66-R70 PolarHBondContact O-N 2.96Å; Q67-R70 PolarHBondContact O-N 3.37Å; F68-R70 PolarHBondContact O-N 3.49Å; R70-F72 VanDerWaalsContact C-N 3.25Å; R70-F72 PolarHBondContact O-N 2.91Å; R70-C73 CarbonylContact O-C 3.59Å; R70-P74 VanDerWaalsContact O-CA 3.28Å; R70-P74 WeakPolarHBondContact O-CA 3.2Å; R70-P77 HydrophobicContact CG-CB 3.89Å; R70-E92 IonicContact NH2-OE1 2.9Å; R70-E92 IonicContact NH2-OE2 3.32Å; R70-E92 PolarHBondContact NH2-OE2 3.11Å; R70-E92 VanDerWaalsContact NH2-OE2 3.1Å
71T92.6Very high91Very high109 Ų10972.1 Ų72.167%0.66938%0.382SS*.THydrogen-bonded Turntrans-65.3-30.8176.2-50.80000112.1Q67 F68 T69Q67-T71 PolarHBondContact O-OG1 2.69Å; F68-T71 WeakPolarHBondContact O-CB 3.5Å; F68-T71 PolarHBondContact O-N 3.38Å; F68-T71 VanDerWaalsContact O-N 3.08Å; F68-T71 PolarHBondContact O-OG1 3.44Å; T69-T71 PolarHBondContact O-N 3.33Å
72F92.2Very high91Very high150 Ų15072.6 Ų72.666%0.65838%0.382SS*.THydrogen-bonded Turntrans-94.9-33.7179.4-56.9-85.5000112.4F68 T69 R70F68-F72 HydrophobicContact CD1-CE2 4.05Å; F68-F72 HydrophobicContact CD2-CE2 4.16Å; F68-F72 HydrophobicContact CE1-CD2 4.36Å; F68-F72 AromaticContact CE1-CE2 3.56Å; F68-F72 HydrophobicContact CE1-CE2 3.56Å; F68-F72 HydrophobicContact CE1-CZ 4.29Å; F68-F72 AromaticContact CE2-CE2 3.69Å; F68-F72 HydrophobicContact CE2-CE2 3.69Å; F68-F72 HydrophobicContact CE2-CZ 4.05Å; F68-F72 HydrophobicContact CG-CE2 4.34Å; F68-F72 AromaticContact CZ-CE2 3.37Å; F68-F72 HydrophobicContact CZ-CE2 3.37Å; F68-F72 AromaticContact CZ-CZ 3.72Å; F68-F72 HydrophobicContact CZ-CZ 3.72Å; F68-F72 WeakPolarHBondContact O-CD2 3.32Å; T69-F72 PolarHBondContact O-N 3.3Å; R70-F72 VanDerWaalsContact C-N 3.25Å; R70-F72 PolarHBondContact O-N 2.91Å
73C87.5Confident91Very high48 Ų4874.8 Ų74.832%0.32440%0.395SS..  trans-139.191.8176.2-1650000110.7T69 R70 T75 K76T69-C73 PolarHBondContact O-N 3.47Å; R70-C73 CarbonylContact O-C 3.59Å; C73-T75 PolarHBondContact O-N 2.71Å; C73-T75 VanDerWaalsContact O-N 3.17Å; C73-K76 CarbonylContact O-C 3.08Å; C73-K76 PolarHBondContact O-N 3.35Å
74P83.4Confident90.9Very high102 Ų10278 Ų7866%0.66241%0.41SS*.THydrogen-bonded Turntrans-59.4-31.9-174.3-27.235.2000114R70R70-P74 VanDerWaalsContact O-CA 3.28Å; R70-P74 WeakPolarHBondContact O-CA 3.2Å
75T82.7Confident90.9Very high121 Ų12180.8 Ų80.874%0.74241%0.411SS*.THydrogen-bonded Turntrans-91.4-16.7-174.855.50000114C73C73-T75 PolarHBondContact O-N 2.71Å; C73-T75 VanDerWaalsContact O-N 3.17Å
76K83.9Confident90.9Very high146 Ų14680.9 Ų80.964%0.63541%0.412SS*.SBendtrans-140.880.2-175.1-64.3-178.5-177.3176.70109.7C73C73-K76 CarbonylContact O-C 3.08Å; C73-K76 PolarHBondContact O-N 3.35Å
77P85.6Confident91.1Very high26 Ų2681.3 Ų81.317%0.16941%0.413CS..  trans-62.1171.6173.925.7-33.8000112.4V66 R70 K79 W98V66-P77 HydrophobicContact CG1-CB 3.95Å; R70-P77 HydrophobicContact CG-CB 3.89Å; P77-K79 PolarHBondContact O-N 3.39Å; P77-W98 HydrophobicContact CB-CH2 4.42Å; P77-W98 HydrophobicContact CG-CH2 3.86Å
78A90.1Very high91.4Very high21 Ų2177.3 Ų77.317%0.17440%0.395CS..  trans-48.3129175.200000112.1I65 T69 F90I65-A78 HydrophobicContact CG2-CB 4.05Å; T69-A78 HydrophobicContact CG2-CB 3.93Å; T69-A78 WeakPolarHBondContact OG1-CB 3.42Å; T69-A78 PolarHBondContact OG1-N 3.47Å; A78-F90 HydrophobicContact CB-CD2 4.19Å; A78-F90 HydrophobicContact CB-CE2 4.35Å; A78-F90 WeakPolarHBondContact O-CD2 3.08Å
79K91.9Very high91.5Very high130 Ų13071.3 Ų71.357%0.56537%0.368SS*.  trans-99.1-27.9175-65.8-176.5179.21790112.7P77 F89 F90P77-K79 PolarHBondContact O-N 3.39Å; K79-F89 WeakPolarHBondContact O-CA 3.29Å; K79-F90 PolarHBondContact O-N 3.08Å
80S94Very high91.7Very high33 Ų3370.2 Ų70.223%0.23136%0.361CS..EExtended strand (participates in β ladder)trans-145.4149.7-179.6530000110.9Q88 D129S80-Q88 CarbonylContact C-O 3.53Å; S80-Q88 WeakPolarHBondContact CA-O 3Å; S80-D129 WeakPolarHBondContact CB-OD2 3.31Å; S80-D129 PolarHBondContact OG-OD2 3.09Å
81L94.8Very high92Very high51 Ų5168.9 Ų68.927%0.26736%0.357SS..EExtended strand (participates in β ladder)trans-124.6125.9169.517774.2000108.5I65 T83 R87 Q88 F90I65-L81 HydrophobicContact CD1-CD1 4.44Å; I65-L81 HydrophobicContact CD1-CD2 3.7Å; L81-T83 HydrophobicContact CD2-CG2 4.38Å; L81-T83 HydrophobicContact CG-CG2 4.44Å; L81-R87 WeakPolarHBondContact O-CA 3.42Å; L81-R87 WeakPolarHBondContact O-CG 3.28Å; L81-Q88 HydrophobicContact CB-CB 4.17Å; L81-Q88 HydrophobicContact CB-CG 4.47Å; L81-Q88 HydrophobicContact CD2-CG 4.4Å; L81-Q88 PolarHBondContact N-O 3.32Å; L81-Q88 PolarHBondContact O-N 2.9Å; L81-F90 HydrophobicContact CB-CE2 3.81Å; L81-F90 HydrophobicContact CB-CZ 3.83Å
82H94.8Very high92.2Very high96 Ų9666.5 Ų66.544%0.44434%0.338SS..EExtended strand (participates in β ladder)trans-101.8130.1-178-65.3-157.3000109.5R87 D129H82-R87 PolarHBondContact NE2-NE 3.4Å; H82-D129 IonicContact CD2-OD2 2.66Å; H82-D129 IonicContact CE1-OD1 3.13Å; H82-D129 IonicContact CE1-OD2 3.46Å; H82-D129 PolarHBondContact CE1-OD2 2.93Å; H82-D129 VanDerWaalsContact NE2-CG 3.29Å; H82-D129 IonicContact NE2-OD1 2.95Å; H82-D129 PolarHBondContact NE2-OD1 3.01Å; H82-D129 IonicContact NE2-OD2 3.12Å; H82-D129 PolarHBondContact NE2-OD2 2.51Å
83T93.9Very high92.3Very high46 Ų4660.7 Ų60.728%0.28232%0.315SS..  trans-131.6166170.978.60000108.9L81 K85 N86 N105L81-T83 HydrophobicContact CD2-CG2 4.38Å; L81-T83 HydrophobicContact CG-CG2 4.44Å; T83-K85 PolarHBondContact O-N 3.03Å; T83-K85 PolarHBondContact OG1-N 3.4Å; T83-N86 WeakPolarHBondContact CA-O 3.32Å; T83-N86 WeakPolarHBondContact CB-O 3.42Å; T83-N86 PolarHBondContact N-O 3.49Å; T83-N86 VanDerWaalsContact O-O 3.13Å; T83-N86 PolarHBondContact OG1-N 3.45Å; T83-N86 VanDerWaalsContact OG1-N 3.08Å; T83-N86 PolarHBondContact OG1-O 2.89Å; T83-N86 PolarHBondContact OG1-OD1 2.85Å; T83-N105 PolarHBondContact O-ND2 2.93Å
84Q91.8Very high92.7Very high122 Ų12260 Ų6057%0.5731%0.307SS*.SBendtrans-54.8-37.9178-171.4-178.328.600113.1N105 Y122 E124Q84-N105 PolarHBondContact O-ND2 3.48Å; Q84-Y122 HydrophobicContact CG-CD2 4.37Å; Q84-Y122 WeakPolarHBondContact O-CB 3.32Å; Q84-Y122 VanDerWaalsContact O-CG 3.29Å; Q84-E124 WeakPolarHBondContact CA-OE1 3.29Å
85K93.8Very high93.2Very high116 Ų11662.8 Ų62.850%0.50431%0.312SS..SBendtrans-102.5-25.7-170-57.6-173.1-179.81760114.2T83 N105 Y122T83-K85 PolarHBondContact O-N 3.03Å; T83-K85 PolarHBondContact OG1-N 3.4Å; K85-N105 PolarHBondContact O-N 3.24Å; K85-Y122 HydrophobicContact CB-CD1 4.45Å; K85-Y122 HydrophobicContact CB-CE1 3.96Å; K85-Y122 HydrophobicContact CG-CD2 4.5Å; K85-Y122 HydrophobicContact CG-CE1 4.11Å; K85-Y122 HydrophobicContact CG-CE2 3.98Å
86N95.6Very high93.7Very high34 Ų3459 Ų5918%0.18229%0.287CS..EExtended strand (participates in β ladder)trans-152.4162.6-175.364.869.1000111.7L22 T83 V102 V103L22-N86 HydrophobicContact CD1-CB 3.73Å; T83-N86 WeakPolarHBondContact CA-O 3.32Å; T83-N86 WeakPolarHBondContact CB-O 3.42Å; T83-N86 PolarHBondContact N-O 3.49Å; T83-N86 VanDerWaalsContact O-O 3.13Å; T83-N86 PolarHBondContact OG1-N 3.45Å; T83-N86 VanDerWaalsContact OG1-N 3.08Å; T83-N86 PolarHBondContact OG1-O 2.89Å; T83-N86 PolarHBondContact OG1-OD1 2.85Å; N86-V102 HydrophobicContact CB-CG1 4.04Å; N86-V103 CarbonylContact C-O 3.6Å; N86-V103 WeakPolarHBondContact CA-O 3.09Å; N86-V103 VanDerWaalsContact CB-O 3.24Å; N86-V103 WeakPolarHBondContact CB-O 3.32Å
87R95.7Very high94.4Very high13 Ų1352.9 Ų52.95%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-121.1136.8171.1-162.5172.8-66.8177.24.7109.9L81 H82 F89 V102 V103 N105 E124 L127 D129L81-R87 WeakPolarHBondContact O-CA 3.42Å; L81-R87 WeakPolarHBondContact O-CG 3.28Å; H82-R87 PolarHBondContact NE2-NE 3.4Å; R87-F89 HydrophobicContact CB-CE2 4.14Å; R87-F89 HydrophobicContact CB-CZ 4.06Å; R87-F89 VanDerWaalsContact CD-CZ 3.46Å; R87-F89 HydrophobicContact CG-CE1 4.07Å; R87-F89 HydrophobicContact CG-CE2 4.16Å; R87-F89 HydrophobicContact CG-CZ 3.72Å; R87-V102 WeakPolarHBondContact O-CA 3.32Å; R87-V103 PolarHBondContact N-O 2.79Å; R87-V103 PolarHBondContact O-N 3.13Å; R87-N105 PolarHBondContact N-OD1 3.27Å; R87-E124 PolarHBondContact NH2-O 2.78Å; R87-L127 HydrophobicContact CB-CD1 3.98Å; R87-L127 VanDerWaalsContact CZ-O 3.3Å; R87-L127 PolarHBondContact NH1-O 2.9Å; R87-L127 PolarHBondContact NH2-O 3.3Å; R87-L127 VanDerWaalsContact NH2-O 3.16Å; R87-D129 WeakPolarHBondContact CD-OD1 3.38Å; R87-D129 IonicContact CZ-OD1 3Å; R87-D129 IonicContact NE-OD1 2.62Å; R87-D129 IonicContact NH1-OD1 3.63Å; R87-D129 PolarHBondContact NH1-OD1 3.15Å
88Q96.9Very high94.9Very high25 Ų2552 Ų5212%0.11725%0.254CS..EExtended strand (participates in β ladder)trans-108.6138.9177.1-46-175.24.300108.9S80 L81 F90 M101 V102S80-Q88 CarbonylContact C-O 3.53Å; S80-Q88 WeakPolarHBondContact CA-O 3Å; L81-Q88 HydrophobicContact CB-CB 4.17Å; L81-Q88 HydrophobicContact CB-CG 4.47Å; L81-Q88 HydrophobicContact CD2-CG 4.4Å; L81-Q88 PolarHBondContact N-O 3.32Å; L81-Q88 PolarHBondContact O-N 2.9Å; Q88-F90 HydrophobicContact CB-CE1 4.08Å; Q88-F90 HydrophobicContact CB-CZ 3.83Å; Q88-M101 CarbonylContact C-O 3.5Å; Q88-M101 WeakPolarHBondContact CA-O 3.36Å; Q88-V102 HydrophobicContact CB-CG2 4.28Å; Q88-V102 HydrophobicContact CG-CG1 4.1Å; Q88-V102 HydrophobicContact CG-CG2 3.93Å
89F97.3Very high95.3Very high3 Ų351 Ų511%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-121.3128.9178.9-58-80.5000109.1K79 R87 V100 M101 V103 Y132 V136K79-F89 WeakPolarHBondContact O-CA 3.29Å; R87-F89 HydrophobicContact CB-CE2 4.14Å; R87-F89 HydrophobicContact CB-CZ 4.06Å; R87-F89 VanDerWaalsContact CD-CZ 3.46Å; R87-F89 HydrophobicContact CG-CE1 4.07Å; R87-F89 HydrophobicContact CG-CE2 4.16Å; R87-F89 HydrophobicContact CG-CZ 3.72Å; F89-V100 VanDerWaalsContact O-CA 3.31Å; F89-V100 WeakPolarHBondContact O-CA 3.39Å; F89-M101 HydrophobicContact CD2-CE 3.85Å; F89-M101 WeakPolarHBondContact CD2-O 3.27Å; F89-M101 HydrophobicContact CE2-CE 4.37Å; F89-M101 HydrophobicContact CG-CE 4.47Å; F89-M101 PolarHBondContact N-O 2.95Å; F89-M101 PolarHBondContact O-N 3.19Å; F89-M101 VanDerWaalsContact O-N 3.07Å; F89-V103 HydrophobicContact CD2-CG2 4.22Å; F89-V103 HydrophobicContact CE2-CB 4.2Å; F89-V103 HydrophobicContact CE2-CG2 3.87Å; F89-Y132 VanDerWaalsContact CE2-CB 3.48Å; F89-Y132 HydrophobicContact CE2-CG 4.04Å; F89-Y132 HydrophobicContact CZ-CD2 4.25Å; F89-Y132 AromaticContact CZ-CG 3.86Å; F89-Y132 HydrophobicContact CZ-CG 3.86Å; F89-V136 HydrophobicContact CB-CG2 3.78Å
90F96.6Very high95.6Very high12 Ų1244.8 Ų44.85%0.05322%0.218CC..EExtended strand (participates in β ladder)trans-112.9130.4-176.9-44.4-72.1000109.8C62 I65 A78 K79 L81 Q88 W98 V100C62-F90 HydrophobicContact CB-CD1 4.43Å; C62-F90 HydrophobicContact CB-CE1 4.05Å; I65-F90 HydrophobicContact CG2-CE2 4.46Å; A78-F90 HydrophobicContact CB-CD2 4.19Å; A78-F90 HydrophobicContact CB-CE2 4.35Å; A78-F90 WeakPolarHBondContact O-CD2 3.08Å; K79-F90 PolarHBondContact O-N 3.08Å; L81-F90 HydrophobicContact CB-CE2 3.81Å; L81-F90 HydrophobicContact CB-CZ 3.83Å; Q88-F90 HydrophobicContact CB-CE1 4.08Å; Q88-F90 HydrophobicContact CB-CZ 3.83Å; F90-W98 HydrophobicContact CB-CE3 4.23Å; F90-W98 HydrophobicContact CB-CZ3 3.94Å; F90-V100 HydrophobicContact CD1-CG1 3.94Å; F90-V100 HydrophobicContact CD1-CG2 3.97Å; F90-V100 HydrophobicContact CE1-CG1 4.02Å
91F97Very high95.8Very high43 Ų4343.2 Ų43.219%0.18921%0.207CC..EExtended strand (participates in β ladder)trans-140.7128.7178.6178.1-130.5000110.8P93 W98 I99 V136 R137 Y140F91-P93 VanDerWaalsContact C-CD 3.5Å; F91-P93 HydrophobicContact CD1-CB 4.2Å; F91-P93 HydrophobicContact CD1-CG 4.33Å; F91-P93 HydrophobicContact CE1-CB 3.54Å; F91-P93 HydrophobicContact CE1-CG 4.14Å; F91-P93 HydrophobicContact CZ-CB 3.83Å; F91-P93 WeakPolarHBondContact O-CD 3.41Å; F91-W98 CarbonylContact O-C 3.45Å; F91-W98 WeakPolarHBondContact O-CA 3.28Å; F91-I99 PolarHBondContact N-O 3.01Å; F91-I99 PolarHBondContact O-N 3.28Å; F91-V136 HydrophobicContact CB-CB 4.43Å; F91-V136 HydrophobicContact CB-CG1 3.61Å; F91-V136 HydrophobicContact CD1-CG1 4.08Å; F91-V136 HydrophobicContact CG-CG1 4.26Å; F91-R137 HydrophobicContact CD1-CG 4.13Å; F91-R137 HydrophobicContact CD2-CG 3.92Å; F91-R137 HydrophobicContact CE1-CB 4.15Å; F91-R137 HydrophobicContact CE1-CG 3.91Å; F91-R137 HydrophobicContact CE2-CG 3.73Å; F91-R137 HydrophobicContact CG-CG 4.14Å; F91-R137 HydrophobicContact CZ-CB 4.22Å; F91-R137 HydrophobicContact CZ-CG 3.72Å; F91-Y140 HydrophobicContact CE1-CD1 4.34Å; F91-Y140 HydrophobicContact CE1-CG 4.34Å
92E96.3Very high96Very high58 Ų5841.2 Ų41.227%0.27120%0.197SC..EExtended strand (participates in β ladder)trans-104.788.2174.1-172.8168.9-146.600108.6R70 E94 N96 F97 W98R70-E92 IonicContact NH2-OE1 2.9Å; R70-E92 IonicContact NH2-OE2 3.32Å; R70-E92 PolarHBondContact NH2-OE2 3.11Å; R70-E92 VanDerWaalsContact NH2-OE2 3.1Å; E92-E94 WeakPolarHBondContact CG-O 3.39Å; E92-N96 PolarHBondContact OE1-N 3.47Å; E92-N96 VanDerWaalsContact OE1-N 3.09Å; E92-F97 WeakPolarHBondContact CA-O 3.37Å; E92-W98 HydrophobicContact CB-CD2 4Å; E92-W98 HydrophobicContact CB-CE3 4.1Å; E92-W98 HydrophobicContact CB-CH2 3.9Å; E92-W98 HydrophobicContact CB-CZ2 3.77Å; E92-W98 HydrophobicContact CB-CZ3 4.05Å; E92-W98 HydrophobicContact CG-CD2 4.38Å; E92-W98 HydrophobicContact CG-CZ2 4Å; E92-W98 PolarHBondContact OE1-NE1 3.49Å; E92-W98 VanDerWaalsContact OE1-NE1 3.17Å; E92-W98 WeakPolarHBondContact OE2-CZ2 3.37Å
93P95.3Very high96.1Very high28 Ų2836.6 Ų36.618%0.18218%0.176CC..EExtended strand (participates in β ladder)trans-68.5-34179.522.8-35.9000114.7F91 F97 I99 Y140 F150F91-P93 VanDerWaalsContact C-CD 3.5Å; F91-P93 HydrophobicContact CD1-CB 4.2Å; F91-P93 HydrophobicContact CD1-CG 4.33Å; F91-P93 HydrophobicContact CE1-CB 3.54Å; F91-P93 HydrophobicContact CE1-CG 4.14Å; F91-P93 HydrophobicContact CZ-CB 3.83Å; F91-P93 WeakPolarHBondContact O-CD 3.41Å; P93-F97 WeakPolarHBondContact CD-O 3.38Å; P93-I99 HydrophobicContact CG-CD1 3.96Å; P93-I99 HydrophobicContact CG-CG1 4.01Å; P93-Y140 HydrophobicContact CB-CD1 3.5Å; P93-Y140 VanDerWaalsContact CB-CD1 3.5Å; P93-Y140 HydrophobicContact CB-CD2 3.58Å; P93-Y140 HydrophobicContact CB-CE1 3.66Å; P93-Y140 HydrophobicContact CB-CE2 3.73Å; P93-Y140 HydrophobicContact CB-CG 3.46Å; P93-Y140 VanDerWaalsContact CB-CG 3.46Å; P93-Y140 HydrophobicContact CG-CD2 3.84Å; P93-Y140 HydrophobicContact CG-CE2 4.13Å; P93-Y140 HydrophobicContact CG-CG 4.07Å; P93-F150 HydrophobicContact CG-CD2 4.43Å; P93-F150 HydrophobicContact CG-CE2 3.74Å
94E95.6Very high96.2Very high33 Ų3338.6 Ų38.615%0.15418%0.178CC..EExtended strand (participates in β ladder)trans-136.7157.2-179.1-68.8175.4-134.200107.5E92 N96 F97 Y140 T149 F150 G151E92-E94 WeakPolarHBondContact CG-O 3.39Å; E94-N96 PolarHBondContact O-N 2.84Å; E94-N96 VanDerWaalsContact O-N 3.15Å; E94-F97 HydrophobicContact CB-CB 4.24Å; E94-F97 HydrophobicContact CB-CD2 3.93Å; E94-F97 HydrophobicContact CB-CG 4.5Å; E94-F97 PolarHBondContact O-N 2.81Å; E94-Y140 VanDerWaalsContact CD-OH 3.29Å; E94-Y140 HydrophobicContact CG-CE2 4.46Å; E94-Y140 WeakPolarHBondContact CG-OH 3.45Å; E94-Y140 VanDerWaalsContact OE1-CE2 3.3Å; E94-Y140 WeakPolarHBondContact OE1-CE2 3.47Å; E94-Y140 VanDerWaalsContact OE1-CZ 3.26Å; E94-Y140 PolarHBondContact OE1-OH 3.39Å; E94-T149 WeakPolarHBondContact OE1-CA 3.45Å; E94-T149 VanDerWaalsContact OE1-CB 3.27Å; E94-T149 WeakPolarHBondContact OE1-CB 3.39Å; E94-F150 PolarHBondContact OE1-N 3.22Å; E94-F150 WeakPolarHBondContact OE2-CB 3.15Å; E94-F150 PolarHBondContact OE2-N 3.05Å; E94-G151 PolarHBondContact OE2-N 2.94Å
95E93.6Very high96.3Very high161 Ų16132.9 Ų32.975%0.75215%0.152SC*.THydrogen-bonded Turntrans-52.8123.4-176.6-161-168.5154.400111.3F97E95-F97 WeakPolarHBondContact O-CD2 3.19Å; E95-F97 PolarHBondContact O-N 3.03Å; E95-F97 VanDerWaalsContact O-N 3.1Å
96N94.1Very high96.1Very high43 Ų4327.4 Ų27.423%0.2313%0.128CC..THydrogen-bonded Turntrans64.71-178.2-52-63.4000115.7N28 P29 T30 E92 E94N28-N96 VanDerWaalsContact CA-O 3.26Å; N28-N96 WeakPolarHBondContact CA-O 3.4Å; N28-N96 WeakPolarHBondContact CB-O 3.48Å; N28-N96 PolarHBondContact ND2-O 3.29Å; N28-N96 PolarHBondContact OD1-O 2.66Å; P29-N96 WeakPolarHBondContact CD-O 3.28Å; T30-N96 HydrophobicContact CG2-CB 3.9Å; E92-N96 PolarHBondContact OE1-N 3.47Å; E92-N96 VanDerWaalsContact OE1-N 3.09Å; E94-N96 PolarHBondContact O-N 2.84Å; E94-N96 VanDerWaalsContact O-N 3.15Å
97F97.5Very high95.9Very high16 Ų1627.1 Ų27.17%0.0713%0.126CC..EExtended strand (participates in β ladder)trans-96.1122.2172.2-71.6-83000109.8N28 F31 L43 E92 P93 E94 E95 F150 M154 L162N28-F97 HydrophobicContact CB-CD1 4.08Å; N28-F97 HydrophobicContact CB-CE1 4.12Å; N28-F97 WeakPolarHBondContact ND2-CZ 3.23Å; F31-F97 HydrophobicContact CE2-CE1 4.31Å; F31-F97 HydrophobicContact CZ-CE1 4.37Å; F31-F97 HydrophobicContact CZ-CZ 4.22Å; L43-F97 HydrophobicContact CD1-CD1 3.67Å; L43-F97 HydrophobicContact CD1-CE1 3.54Å; E92-F97 WeakPolarHBondContact CA-O 3.37Å; P93-F97 WeakPolarHBondContact CD-O 3.38Å; E94-F97 HydrophobicContact CB-CB 4.24Å; E94-F97 HydrophobicContact CB-CD2 3.93Å; E94-F97 HydrophobicContact CB-CG 4.5Å; E94-F97 PolarHBondContact O-N 2.81Å; E95-F97 WeakPolarHBondContact O-CD2 3.19Å; E95-F97 PolarHBondContact O-N 3.03Å; E95-F97 VanDerWaalsContact O-N 3.1Å; F97-F150 HydrophobicContact CB-CD2 3.58Å; F97-F150 HydrophobicContact CB-CE2 4Å; F97-F150 HydrophobicContact CD1-CB 4.17Å; F97-F150 AromaticContact CD1-CD2 3.87Å; F97-F150 HydrophobicContact CD1-CD2 3.87Å; F97-F150 HydrophobicContact CD1-CG 4.31Å; F97-F150 HydrophobicContact CD2-CB 4.22Å; F97-F150 HydrophobicContact CD2-CD2 4.29Å; F97-F150 HydrophobicContact CE1-CB 4.15Å; F97-F150 HydrophobicContact CE2-CB 4.21Å; F97-F150 HydrophobicContact CG-CB 4.2Å; F97-F150 AromaticContact CG-CD2 3.65Å; F97-F150 HydrophobicContact CG-CD2 3.65Å; F97-F150 HydrophobicContact CG-CE2 4.47Å; F97-F150 HydrophobicContact CG-CG 4.35Å; F97-F150 HydrophobicContact CZ-CB 4.17Å; F97-M154 HydrophobicContact CZ-CG 4.06Å; F97-L162 HydrophobicContact CE1-CD2 3.67Å; F97-L162 HydrophobicContact CZ-CD2 4.21Å
98W97.6Very high95.6Very high7 Ų727.9 Ų27.93%0.02713%0.131CC..EExtended strand (participates in β ladder)trans-115.6132.1-177.4-73.981.2000110.9I26 Y27 V66 P77 F90 F91 E92I26-W98 CarbonylContact C-O 3.53Å; I26-W98 WeakPolarHBondContact CA-O 3.34Å; I26-W98 WeakPolarHBondContact CG2-O 3.24Å; Y27-W98 HydrophobicContact CD1-CB 3.7Å; Y27-W98 HydrophobicContact CD2-CB 4.33Å; Y27-W98 HydrophobicContact CE1-CB 3.29Å; Y27-W98 HydrophobicContact CE1-CG 4.02Å; Y27-W98 HydrophobicContact CE2-CB 3.98Å; Y27-W98 HydrophobicContact CE2-CG 4.07Å; Y27-W98 HydrophobicContact CG-CB 4.2Å; Y27-W98 VanDerWaalsContact CZ-CB 3.44Å; Y27-W98 AromaticContact CZ-CG 3.65Å; Y27-W98 PolarHBondContact N-O 2.84Å; Y27-W98 PolarHBondContact O-N 2.76Å; V66-W98 HydrophobicContact CB-CH2 4.38Å; V66-W98 HydrophobicContact CG1-CH2 3.49Å; V66-W98 VanDerWaalsContact CG1-CH2 3.49Å; V66-W98 HydrophobicContact CG1-CZ2 3.51Å; V66-W98 HydrophobicContact CG1-CZ3 4.24Å; V66-W98 HydrophobicContact CG2-CE3 4.3Å; V66-W98 HydrophobicContact CG2-CH2 3.92Å; V66-W98 HydrophobicContact CG2-CZ2 4.49Å; V66-W98 HydrophobicContact CG2-CZ3 3.81Å; P77-W98 HydrophobicContact CB-CH2 4.42Å; P77-W98 HydrophobicContact CG-CH2 3.86Å; F90-W98 HydrophobicContact CB-CE3 4.23Å; F90-W98 HydrophobicContact CB-CZ3 3.94Å; F91-W98 CarbonylContact O-C 3.45Å; F91-W98 WeakPolarHBondContact O-CA 3.28Å; E92-W98 HydrophobicContact CB-CD2 4Å; E92-W98 HydrophobicContact CB-CE3 4.1Å; E92-W98 HydrophobicContact CB-CH2 3.9Å; E92-W98 HydrophobicContact CB-CZ2 3.77Å; E92-W98 HydrophobicContact CB-CZ3 4.05Å; E92-W98 HydrophobicContact CG-CD2 4.38Å; E92-W98 HydrophobicContact CG-CZ2 4Å; E92-W98 PolarHBondContact OE1-NE1 3.49Å; E92-W98 VanDerWaalsContact OE1-NE1 3.17Å; E92-W98 WeakPolarHBondContact OE2-CZ2 3.37Å
99I98.4Very high95.3Very high0 Ų029.1 Ų29.10%014%0.137CC..EExtended strand (participates in β ladder)trans-108.2128.9168.8-54.6-174.4000107.8F24 I26 F91 P93 V136 Y140 F150F24-I99 HydrophobicContact CE1-CG2 3.99Å; F24-I99 HydrophobicContact CE2-CG2 3.61Å; F24-I99 HydrophobicContact CZ-CG2 3.29Å; I26-I99 HydrophobicContact CD1-CG1 4.48Å; I26-I99 HydrophobicContact CG1-CG1 4.14Å; I26-I99 HydrophobicContact CG1-CG2 4.47Å; I26-I99 HydrophobicContact CG2-CG1 4.48Å; F91-I99 PolarHBondContact N-O 3.01Å; F91-I99 PolarHBondContact O-N 3.28Å; P93-I99 HydrophobicContact CG-CD1 3.96Å; P93-I99 HydrophobicContact CG-CG1 4.01Å; I99-V136 HydrophobicContact CB-CG1 4.12Å; I99-V136 HydrophobicContact CG2-CG1 3.72Å; I99-Y140 HydrophobicContact CD1-CD2 4.22Å; I99-Y140 HydrophobicContact CD1-CG 4.37Å; I99-F150 HydrophobicContact CD1-CE2 4.39Å; I99-F150 HydrophobicContact CD1-CZ 4.1Å; I99-F150 HydrophobicContact CG1-CE2 4.49Å
100V98.3Very high94.8Very high0 Ų032.7 Ų32.70%015%0.152CC..EExtended strand (participates in β ladder)trans-122.7130.3176-172.60000110F24 F25 Y27 C62 F89 F90 V102F24-V100 VanDerWaalsContact CA-O 3.32Å; F24-V100 WeakPolarHBondContact CA-O 3.42Å; F25-V100 HydrophobicContact CD1-CB 4.27Å; F25-V100 HydrophobicContact CD2-CB 3.94Å; F25-V100 HydrophobicContact CD2-CG2 4.11Å; F25-V100 HydrophobicContact CE1-CB 3.85Å; F25-V100 HydrophobicContact CE1-CG1 3.81Å; F25-V100 HydrophobicContact CE2-CB 3.49Å; F25-V100 VanDerWaalsContact CE2-CB 3.49Å; F25-V100 HydrophobicContact CE2-CG1 4.04Å; F25-V100 HydrophobicContact CE2-CG2 3.49Å; F25-V100 VanDerWaalsContact CE2-CG2 3.49Å; F25-V100 HydrophobicContact CG-CB 4.32Å; F25-V100 HydrophobicContact CZ-CB 3.45Å; F25-V100 VanDerWaalsContact CZ-CB 3.45Å; F25-V100 HydrophobicContact CZ-CG1 3.48Å; F25-V100 VanDerWaalsContact CZ-CG1 3.48Å; F25-V100 HydrophobicContact CZ-CG2 3.85Å; F25-V100 PolarHBondContact N-O 3.13Å; F25-V100 PolarHBondContact O-N 3.35Å; Y27-V100 HydrophobicContact CD1-CG2 4.26Å; Y27-V100 HydrophobicContact CE1-CG2 3.71Å; C62-V100 HydrophobicContact CB-CG2 4.49Å; F89-V100 VanDerWaalsContact O-CA 3.31Å; F89-V100 WeakPolarHBondContact O-CA 3.39Å; F90-V100 HydrophobicContact CD1-CG1 3.94Å; F90-V100 HydrophobicContact CD1-CG2 3.97Å; F90-V100 HydrophobicContact CE1-CG1 4.02Å; V100-V102 HydrophobicContact CG1-CG2 4.28Å
101M98.3Very high94Very high0 Ų034.7 Ų34.70%017%0.166CC..EExtended strand (participates in β ladder)trans-120.6125.6174.4-177.2174.970.700109.2L21 F24 Q88 F89 V103 Y132 V135 V136 L179L21-M101 HydrophobicContact CD1-CG 3.59Å; L21-M101 HydrophobicContact CD1-SD 4.36Å; F24-M101 HydrophobicContact CD2-CB 4.02Å; F24-M101 HydrophobicContact CD2-CG 4.19Å; F24-M101 HydrophobicContact CE2-CB 4.46Å; Q88-M101 CarbonylContact C-O 3.5Å; Q88-M101 WeakPolarHBondContact CA-O 3.36Å; F89-M101 HydrophobicContact CD2-CE 3.85Å; F89-M101 WeakPolarHBondContact CD2-O 3.27Å; F89-M101 HydrophobicContact CE2-CE 4.37Å; F89-M101 HydrophobicContact CG-CE 4.47Å; F89-M101 PolarHBondContact N-O 2.95Å; F89-M101 PolarHBondContact O-N 3.19Å; F89-M101 VanDerWaalsContact O-N 3.07Å; M101-V103 HydrophobicContact CE-CG2 3.97Å; M101-V103 HydrophobicContact CG-CG2 3.96Å; M101-V103 HydrophobicContact SD-CG2 4.27Å; M101-Y132 HydrophobicContact CE-CD1 4.19Å; M101-Y132 WeakPolarHBondContact CE-O 3.41Å; M101-V135 HydrophobicContact CE-CB 4.36Å; M101-V135 HydrophobicContact CE-CG1 4.23Å; M101-V135 HydrophobicContact SD-CG1 4.33Å; M101-V136 HydrophobicContact CB-CG2 3.58Å; M101-V136 HydrophobicContact CE-CG2 3.32Å; M101-V136 HydrophobicContact CG-CG2 4.35Å; M101-V136 HydrophobicContact SD-CG2 3.96Å; M101-L179 HydrophobicContact SD-CD2 4.36Å
102V97.6Very high93.2Very high9 Ų935.5 Ų35.56%0.05517%0.173CC..EExtended strand (participates in β ladder)trans-111.5117.1177.9-174.80000108.9L22 S23 F25 N86 R87 Q88 V100L22-V102 HydrophobicContact CB-CB 4.39Å; L22-V102 HydrophobicContact CB-CG1 4.13Å; L22-V102 HydrophobicContact CD1-CG1 4.21Å; L22-V102 PolarHBondContact N-O 2.88Å; S23-V102 PolarHBondContact N-O 3.46Å; S23-V102 PolarHBondContact O-N 2.86Å; S23-V102 WeakPolarHBondContact OG-CB 3.3Å; S23-V102 WeakPolarHBondContact OG-CG2 3.34Å; F25-V102 HydrophobicContact CE1-CG2 4.31Å; N86-V102 HydrophobicContact CB-CG1 4.04Å; R87-V102 WeakPolarHBondContact O-CA 3.32Å; Q88-V102 HydrophobicContact CB-CG2 4.28Å; Q88-V102 HydrophobicContact CG-CG1 4.1Å; Q88-V102 HydrophobicContact CG-CG2 3.93Å; V100-V102 HydrophobicContact CG1-CG2 4.28Å
103V96.9Very high91.8Very high0 Ų042.2 Ų42.20%020%0.201CC..EExtended strand (participates in β ladder)trans-112.8130.3-176.7-176.10000109.1P19 S20 N86 R87 F89 M101 L127 Y132 L179P19-V103 HydrophobicContact CB-CG1 3.9Å; S20-V103 WeakPolarHBondContact O-CA 3.37Å; N86-V103 CarbonylContact C-O 3.6Å; N86-V103 WeakPolarHBondContact CA-O 3.09Å; N86-V103 VanDerWaalsContact CB-O 3.24Å; N86-V103 WeakPolarHBondContact CB-O 3.32Å; R87-V103 PolarHBondContact N-O 2.79Å; R87-V103 PolarHBondContact O-N 3.13Å; F89-V103 HydrophobicContact CD2-CG2 4.22Å; F89-V103 HydrophobicContact CE2-CB 4.2Å; F89-V103 HydrophobicContact CE2-CG2 3.87Å; M101-V103 HydrophobicContact CE-CG2 3.97Å; M101-V103 HydrophobicContact CG-CG2 3.96Å; M101-V103 HydrophobicContact SD-CG2 4.27Å; V103-L127 HydrophobicContact CB-CD1 4.39Å; V103-L127 HydrophobicContact CG1-CD1 4.11Å; V103-L127 HydrophobicContact CG1-CD2 4.46Å; V103-Y132 HydrophobicContact CG1-CE1 4.37Å; V103-Y132 HydrophobicContact CG2-CD1 4.25Å; V103-L179 HydrophobicContact CG1-CD1 4.19Å; V103-L179 HydrophobicContact CG2-CD1 4.13Å
104R95.6Very high90.7Very high87 Ų8747.4 Ų47.433%0.32823%0.227SC..EExtended strand (participates in β ladder)trans-67134.3171.8-168.6-171.5-69-98.2-6.2109.5S20 L22S20-R104 PolarHBondContact O-N 2.82Å; L22-R104 HydrophobicContact CD1-CB 3.92Å; L22-R104 HydrophobicContact CD1-CG 4.45Å; L22-R104 HydrophobicContact CD2-CB 4.01Å; L22-R104 HydrophobicContact CG-CB 3.89Å
105N93.6Very high89.3Confident2 Ų249.8 Ų49.81%0.01126%0.261CS..PPolyproline II helixtrans-65143.4171.3-61.8-12.7000109.3T83 Q84 K85 R87 Y122 L127T83-N105 PolarHBondContact O-ND2 2.93Å; Q84-N105 PolarHBondContact O-ND2 3.48Å; K85-N105 PolarHBondContact O-N 3.24Å; R87-N105 PolarHBondContact N-OD1 3.27Å; N105-Y122 HydrophobicContact CB-CD1 4.21Å; N105-L127 WeakPolarHBondContact OD1-CD1 3.4Å
106P91.1Very high88.5Confident2 Ų248.9 Ų48.91%0.01325%0.254CS..PPolyproline II helixtrans-52.6147.6170.8-2535.1000110.9Y17 P19 Y122 Q123 E126 L127Y17-P106 WeakPolarHBondContact O-CA 3.11Å; P19-P106 HydrophobicContact CG-CG 3.79Å; P106-Y122 WeakPolarHBondContact O-CA 3.3Å; P106-Q123 HydrophobicContact CB-CB 4.23Å; P106-Q123 PolarHBondContact O-N 2.77Å; P106-E126 WeakPolarHBondContact CB-OE2 3.43Å; P106-E126 HydrophobicContact CG-CB 3.97Å; P106-E126 VanDerWaalsContact CG-OE2 3.25Å; P106-E126 WeakPolarHBondContact CG-OE2 3.4Å; P106-L127 HydrophobicContact CG-CD2 4.36Å
107M91.3Very high87.6Confident27 Ų2752 Ų5213%0.13328%0.277CS..EExtended strand (participates in β ladder)trans-136.8141.3-18062.3-179.7-171.800112Q16 Y17 I120 E121 Y122Q16-M107 CarbonylContact C-O 3.56Å; Q16-M107 WeakPolarHBondContact CA-O 3.28Å; Y17-M107 HydrophobicContact CD1-CE 3.61Å; Y17-M107 HydrophobicContact CD2-CE 3.51Å; Y17-M107 HydrophobicContact CD2-CG 3.75Å; Y17-M107 HydrophobicContact CD2-SD 4.39Å; Y17-M107 HydrophobicContact CE1-CE 3.99Å; Y17-M107 HydrophobicContact CE2-CE 3.89Å; Y17-M107 HydrophobicContact CG-CE 3.34Å; Y17-M107 HydrophobicContact CG-CG 3.93Å; Y17-M107 PolarHBondContact N-O 3.44Å; Y17-M107 PolarHBondContact O-N 3.1Å; Y17-M107 VanDerWaalsContact O-N 3.12Å; M107-I120 HydrophobicContact CB-CG2 3.96Å; M107-I120 HydrophobicContact CG-CG2 4.38Å; M107-I120 HydrophobicContact SD-CG2 3.91Å; M107-E121 CarbonylContact C-O 3.5Å; M107-E121 WeakPolarHBondContact CA-O 3.5Å; M107-Y122 HydrophobicContact CB-CD1 4.1Å; M107-Y122 HydrophobicContact CB-CE1 4.3Å; M107-Y122 HydrophobicContact SD-CE1 4.35Å
108I89.9Confident86.8Confident30 Ų3053.9 Ų53.915%0.15429%0.291CS..EExtended strand (participates in β ladder)trans-107.4123173.3-59176000107.8D14 Q16 K110 E121 Q123D14-I108 HydrophobicContact CB-CG2 3.87Å; Q16-I108 HydrophobicContact CG-CG1 4.25Å; I108-K110 HydrophobicContact CG2-CG 4.04Å; I108-E121 PolarHBondContact N-O 2.81Å; I108-E121 PolarHBondContact O-N 2.82Å; I108-Q123 HydrophobicContact CD1-CG 4.18Å; I108-Q123 HydrophobicContact CG1-CG 4.21Å
109E89.3Confident86.3Confident50 Ų5057 Ų5723%0.23431%0.31CS..EExtended strand (participates in β ladder)trans-96.3107.6173.4-175.5-179178.800108.9K15 Y17 P118K15-E109 HydrophobicContact CB-CB 4.25Å; K15-E109 PolarHBondContact N-O 3.14Å; K15-E109 VanDerWaalsContact N-O 3.07Å; K15-E109 PolarHBondContact O-N 3.42Å; Y17-E109 HydrophobicContact CE2-CB 3.85Å; Y17-E109 VanDerWaalsContact CE2-OE2 3.24Å; Y17-E109 WeakPolarHBondContact CE2-OE2 3.27Å; Y17-E109 PolarHBondContact OH-OE2 2.81Å; E109-P118 HydrophobicContact CG-CB 3.57Å; E109-P118 HydrophobicContact CG-CG 3.9Å; E109-P118 WeakPolarHBondContact OE1-CG 3.3Å
110K86.7Confident85.7Confident79 Ų7961.1 Ų61.134%0.34333%0.332SS..EExtended strand (participates in β ladder)trans-91.4118.5179.8-70.3178.5175167.40109.8I108 N112 P118 T119 E121I108-K110 HydrophobicContact CG2-CG 4.04Å; K110-N112 PolarHBondContact O-N 3.17Å; K110-P118 WeakPolarHBondContact O-CA 3.36Å; K110-P118 WeakPolarHBondContact O-CB 3.42Å; K110-T119 PolarHBondContact N-O 3.25Å; K110-T119 PolarHBondContact O-N 3.37Å; K110-E121 WeakPolarHBondContact CE-OE2 3.5Å; K110-E121 IonicContact NZ-OE2 2.64Å; K110-E121 PolarHBondContact NZ-OE2 3.29Å
111P80.4Confident85.3Confident53 Ų5365.5 Ų65.534%0.34435%0.352SS..PPolyproline II helixtrans-69.2122.5177.626.8-29.9000109.9A12 D14A12-P111 HydrophobicContact CB-CB 3.89Å; A12-P111 HydrophobicContact CB-CG 3.46Å; A12-P111 VanDerWaalsContact CB-CG 3.46Å; D14-P111 VanDerWaalsContact OD1-CD 3.28Å; D14-P111 WeakPolarHBondContact OD1-CD 3.25Å
112N79.3Confident84.8Confident61 Ų6167.7 Ų67.733%0.32636%0.361SS..PPolyproline II helixtrans-80.8133.8176.3-76-32.7000110.3K110 D114 K116 P117 T119K110-N112 PolarHBondContact O-N 3.17Å; N112-D114 PolarHBondContact O-N 3.49Å; N112-D114 VanDerWaalsContact O-N 3.11Å; N112-K116 HydrophobicContact CB-CB 4.09Å; N112-P117 PolarHBondContact ND2-O 3.38Å; N112-T119 PolarHBondContact ND2-OG1 2.87Å; N112-T119 PolarHBondContact OD1-OG1 2.78Å
113K68.5Low84.3Confident199 Ų19969.2 Ų69.287%0.86537%0.367SS*.THydrogen-bonded Turntrans-75.67.8-173.6-76-174.3177.4177.70116
114D71.9Confident83.7Confident136 Ų13673.2 Ų73.273%0.72739%0.386SS*.THydrogen-bonded Turntrans-130.525.4-172.3-60.6-54.1000114.1N112 K116N112-D114 PolarHBondContact O-N 3.49Å; N112-D114 VanDerWaalsContact O-N 3.11Å; D114-K116 PolarHBondContact O-N 2.96Å; D114-K116 VanDerWaalsContact O-N 3.16Å
115G66.6Low83Confident84 Ų8475.4 Ų75.487%0.86640%0.4SS*.SBendtrans70.57.8179.800000115.1
116K75.1Confident82.4Confident142 Ų14278.5 Ų78.562%0.61741%0.414SS*.PPolyproline II helixtrans-71.5151.7168.7-71.2-180-178.4173.30110.5N112 D114N112-K116 HydrophobicContact CB-CB 4.09Å; D114-K116 PolarHBondContact O-N 2.96Å; D114-K116 VanDerWaalsContact O-N 3.16Å
117P76.7Confident82.2Confident108 Ų10878.6 Ų78.670%0.70142%0.415SS*.PPolyproline II helixtrans-54.4145.6172.224.4-33.6000109.8N112N112-P117 PolarHBondContact ND2-O 3.38Å
118P80.6Confident82.1Confident55 Ų5578.2 Ų78.236%0.35741%0.413SS..PPolyproline II helixtrans-62.8145.5-177.624.4-30.7000110.8E109 K110E109-P118 HydrophobicContact CG-CB 3.57Å; E109-P118 HydrophobicContact CG-CG 3.9Å; E109-P118 WeakPolarHBondContact OE1-CG 3.3Å; K110-P118 WeakPolarHBondContact O-CA 3.36Å; K110-P118 WeakPolarHBondContact O-CB 3.42Å
119T85.3Confident82.1Confident72 Ų7279.3 Ų79.344%0.44242%0.419SS..EExtended strand (participates in β ladder)trans-83.4126.3178.4-510000108.4K110 N112K110-T119 PolarHBondContact N-O 3.25Å; K110-T119 PolarHBondContact O-N 3.37Å; N112-T119 PolarHBondContact ND2-OG1 2.87Å; N112-T119 PolarHBondContact OD1-OG1 2.78Å
120I87.6Confident82.1Confident87 Ų8778.6 Ų78.645%0.44642%0.418SS..EExtended strand (participates in β ladder)trans-98.8119.5176.9-57.8174.8000108.6M107 Y122M107-I120 HydrophobicContact CB-CG2 3.96Å; M107-I120 HydrophobicContact CG-CG2 4.38Å; M107-I120 HydrophobicContact SD-CG2 3.91Å; I120-Y122 HydrophobicContact CG2-CD2 4.33Å; I120-Y122 HydrophobicContact CG2-CE2 3.85Å
121E89.1Confident82.4Confident93 Ų9374.9 Ų74.944%0.43540%0.402SS..EExtended strand (participates in β ladder)trans-110.2124.6175.4-174.4174.5174.100109.3M107 I108 K110M107-E121 CarbonylContact C-O 3.5Å; M107-E121 WeakPolarHBondContact CA-O 3.5Å; I108-E121 PolarHBondContact N-O 2.81Å; I108-E121 PolarHBondContact O-N 2.82Å; K110-E121 WeakPolarHBondContact CE-OE2 3.5Å; K110-E121 IonicContact NZ-OE2 2.64Å; K110-E121 PolarHBondContact NZ-OE2 3.29Å
122Y88.7Confident83Confident45 Ų4572.9 Ų72.918%0.17639%0.388CS..EExtended strand (participates in β ladder)trans-91.7132.2177-69.6-91.6000109.9Q84 K85 N105 P106 M107 I120 E124Q84-Y122 HydrophobicContact CG-CD2 4.37Å; Q84-Y122 WeakPolarHBondContact O-CB 3.32Å; Q84-Y122 VanDerWaalsContact O-CG 3.29Å; K85-Y122 HydrophobicContact CB-CD1 4.45Å; K85-Y122 HydrophobicContact CB-CE1 3.96Å; K85-Y122 HydrophobicContact CG-CD2 4.5Å; K85-Y122 HydrophobicContact CG-CE1 4.11Å; K85-Y122 HydrophobicContact CG-CE2 3.98Å; N105-Y122 HydrophobicContact CB-CD1 4.21Å; P106-Y122 WeakPolarHBondContact O-CA 3.3Å; M107-Y122 HydrophobicContact CB-CD1 4.1Å; M107-Y122 HydrophobicContact CB-CE1 4.3Å; M107-Y122 HydrophobicContact SD-CE1 4.35Å; I120-Y122 HydrophobicContact CG2-CD2 4.33Å; I120-Y122 HydrophobicContact CG2-CE2 3.85Å; Y122-E124 PolarHBondContact O-N 2.89Å
123Q86.6Confident83.8Confident41 Ų4170.6 Ų70.619%0.19238%0.379CS..  trans-94.176.4179.6-53.3-177.8-88.800109.1Q16 P106 I108 E125 E126Q16-Q123 VanDerWaalsContact NE2-OE1 3.15Å; P106-Q123 HydrophobicContact CB-CB 4.23Å; P106-Q123 PolarHBondContact O-N 2.77Å; I108-Q123 HydrophobicContact CD1-CG 4.18Å; I108-Q123 HydrophobicContact CG1-CG 4.21Å; Q123-E125 PolarHBondContact O-N 2.8Å; Q123-E126 HydrophobicContact CB-CB 4.31Å; Q123-E126 HydrophobicContact CB-CG 3.84Å; Q123-E126 VanDerWaalsContact CD-CD 3.44Å; Q123-E126 PolarHBondContact NE2-OE1 3.45Å; Q123-E126 PolarHBondContact O-N 2.53Å; Q123-E126 PolarHBondContact OE1-OE1 3.47Å; Q123-E126 PolarHBondContact OE1-OE2 2.88Å
124E84.4Confident85Confident85 Ų8561.6 Ų61.640%0.39734%0.341SS..G310 helixtrans-58.2-31.6-175.2-63.6-178.5-147.900112.5Q84 R87 Y122Q84-E124 WeakPolarHBondContact CA-OE1 3.29Å; R87-E124 PolarHBondContact NH2-O 2.78Å; Y122-E124 PolarHBondContact O-N 2.89Å
125E80.4Confident86.1Confident133 Ų13355.5 Ų55.562%0.62131%0.309SS*.G310 helixtrans-85.4-6.2-174.2-56.1-175.5-18000114.7Q123 K409Q123-E125 PolarHBondContact O-N 2.8Å; E125-K409 IonicContact OE2-NZ 3.56Å; E125-K409 PolarHBondContact OE2-NZ 3.06Å
126E81.4Confident87.5Confident67 Ų6751.5 Ų51.531%0.31327%0.268SS..G310 helixtrans-77.3-26.2-178.8-79.4-167173.100113.1P106 Q123P106-E126 WeakPolarHBondContact CB-OE2 3.43Å; P106-E126 HydrophobicContact CG-CB 3.97Å; P106-E126 VanDerWaalsContact CG-OE2 3.25Å; P106-E126 WeakPolarHBondContact CG-OE2 3.4Å; Q123-E126 HydrophobicContact CB-CB 4.31Å; Q123-E126 HydrophobicContact CB-CG 3.84Å; Q123-E126 VanDerWaalsContact CD-CD 3.44Å; Q123-E126 PolarHBondContact NE2-OE1 3.45Å; Q123-E126 PolarHBondContact O-N 2.53Å; Q123-E126 PolarHBondContact OE1-OE1 3.47Å; Q123-E126 PolarHBondContact OE1-OE2 2.88Å
127L87.4Confident88.5Confident4 Ų449.7 Ų49.72%0.02126%0.257CS..SBendtrans-79.9131.1175.2-57.9-176.8000109.5P19 R87 V103 N105 P106 Y132P19-L127 HydrophobicContact CB-CD2 3.9Å; P19-L127 HydrophobicContact CG-CD2 3.71Å; R87-L127 HydrophobicContact CB-CD1 3.98Å; R87-L127 VanDerWaalsContact CZ-O 3.3Å; R87-L127 PolarHBondContact NH1-O 2.9Å; R87-L127 PolarHBondContact NH2-O 3.3Å; R87-L127 VanDerWaalsContact NH2-O 3.16Å; V103-L127 HydrophobicContact CB-CD1 4.39Å; V103-L127 HydrophobicContact CG1-CD1 4.11Å; V103-L127 HydrophobicContact CG1-CD2 4.46Å; N105-L127 WeakPolarHBondContact OD1-CD1 3.4Å; P106-L127 HydrophobicContact CG-CD2 4.36Å; L127-Y132 HydrophobicContact CB-CD2 4.17Å; L127-Y132 HydrophobicContact CB-CE2 4.01Å; L127-Y132 HydrophobicContact CD2-CD2 4.23Å; L127-Y132 HydrophobicContact CD2-CE1 4.45Å; L127-Y132 HydrophobicContact CD2-CE2 3.41Å; L127-Y132 VanDerWaalsContact CD2-CE2 3.41Å; L127-Y132 WeakPolarHBondContact CD2-OH 3.4Å; L127-Y132 HydrophobicContact CG-CE2 4.26Å
128L88.1Confident89.4Confident19 Ų1945.8 Ų45.810%0.09923%0.23CC..  trans-99.2124.2175.2-67.1173000110.6T130 V131 Y132 K409L128-T130 VanDerWaalsContact C-N 3.32Å; L128-T130 PolarHBondContact O-N 2.72Å; L128-V131 HydrophobicContact CB-CB 3.98Å; L128-V131 HydrophobicContact CB-CG2 3.72Å; L128-V131 HydrophobicContact CD1-CG2 3.87Å; L128-V131 HydrophobicContact CG-CG2 4.47Å; L128-V131 PolarHBondContact O-N 3.18Å; L128-Y132 WeakPolarHBondContact O-CD2 3.18Å; L128-Y132 PolarHBondContact O-N 3.48Å; L128-Y132 VanDerWaalsContact O-N 3.11Å; L128-K409 HydrophobicContact CD2-CG 4.23Å
129D90.7Very high90.2Very high52 Ų5243.2 Ų43.228%0.27821%0.213SC..Hα-helixtrans-61.7-39.2-176.2-87.34.2000113.4S80 H82 R87 G133S80-D129 WeakPolarHBondContact CB-OD2 3.31Å; S80-D129 PolarHBondContact OG-OD2 3.09Å; H82-D129 IonicContact CD2-OD2 2.66Å; H82-D129 IonicContact CE1-OD1 3.13Å; H82-D129 IonicContact CE1-OD2 3.46Å; H82-D129 PolarHBondContact CE1-OD2 2.93Å; H82-D129 VanDerWaalsContact NE2-CG 3.29Å; H82-D129 IonicContact NE2-OD1 2.95Å; H82-D129 PolarHBondContact NE2-OD1 3.01Å; H82-D129 IonicContact NE2-OD2 3.12Å; H82-D129 PolarHBondContact NE2-OD2 2.51Å; R87-D129 WeakPolarHBondContact CD-OD1 3.38Å; R87-D129 IonicContact CZ-OD1 3Å; R87-D129 IonicContact NE-OD1 2.62Å; R87-D129 IonicContact NH1-OD1 3.63Å; R87-D129 PolarHBondContact NH1-OD1 3.15Å; D129-G133 WeakPolarHBondContact O-CA 3.31Å; D129-G133 PolarHBondContact O-N 2.79Å
130T89.8Confident90.7Very high35 Ų3540.7 Ų40.722%0.21520%0.195CC..Hα-helixtrans-63.4-45.5178.3460000111.4L128 A134 C416L128-T130 VanDerWaalsContact C-N 3.32Å; L128-T130 PolarHBondContact O-N 2.72Å; T130-A134 WeakPolarHBondContact O-CB 2.8Å; T130-A134 PolarHBondContact O-N 2.94Å; T130-C416 WeakPolarHBondContact CG2-SG 3.33Å
131V91.8Very high91.1Very high1 Ų137.9 Ų37.91%0.00618%0.183CC..Hα-helixtrans-62.4-60.3179.8174.80000111L128 G133 A134 V135 C182 D183 V187L128-V131 HydrophobicContact CB-CB 3.98Å; L128-V131 HydrophobicContact CB-CG2 3.72Å; L128-V131 HydrophobicContact CD1-CG2 3.87Å; L128-V131 HydrophobicContact CG-CG2 4.47Å; L128-V131 PolarHBondContact O-N 3.18Å; V131-G133 VanDerWaalsContact C-N 3.3Å; V131-G133 PolarHBondContact O-N 2.89Å; V131-A134 WeakPolarHBondContact O-CA 3.44Å; V131-A134 WeakPolarHBondContact O-CB 3.26Å; V131-A134 PolarHBondContact O-N 3.4Å; V131-V135 WeakPolarHBondContact O-CG2 3.32Å; V131-V135 PolarHBondContact O-N 2.94Å; V131-C182 HydrophobicContact CG1-CB 3.73Å; V131-D183 WeakPolarHBondContact CG1-O 3.19Å; V131-V187 HydrophobicContact CB-CG2 4.3Å; V131-V187 HydrophobicContact CG2-CG2 3.82Å
132Y93.7Very high91.5Very high11 Ų1133.7 Ų33.74%0.04316%0.164CC..Hα-helixtrans-69.8-29.9-176.6-72.5-82.6000112.2P19 F89 M101 V103 L127 L128 A134 V135 V136 L179 C182P19-Y132 WeakPolarHBondContact CG-OH 3.16Å; F89-Y132 VanDerWaalsContact CE2-CB 3.48Å; F89-Y132 HydrophobicContact CE2-CG 4.04Å; F89-Y132 HydrophobicContact CZ-CD2 4.25Å; F89-Y132 AromaticContact CZ-CG 3.86Å; F89-Y132 HydrophobicContact CZ-CG 3.86Å; M101-Y132 HydrophobicContact CE-CD1 4.19Å; M101-Y132 WeakPolarHBondContact CE-O 3.41Å; V103-Y132 HydrophobicContact CG1-CE1 4.37Å; V103-Y132 HydrophobicContact CG2-CD1 4.25Å; L127-Y132 HydrophobicContact CB-CD2 4.17Å; L127-Y132 HydrophobicContact CB-CE2 4.01Å; L127-Y132 HydrophobicContact CD2-CD2 4.23Å; L127-Y132 HydrophobicContact CD2-CE1 4.45Å; L127-Y132 HydrophobicContact CD2-CE2 3.41Å; L127-Y132 VanDerWaalsContact CD2-CE2 3.41Å; L127-Y132 WeakPolarHBondContact CD2-OH 3.4Å; L127-Y132 HydrophobicContact CG-CE2 4.26Å; L128-Y132 WeakPolarHBondContact O-CD2 3.18Å; L128-Y132 PolarHBondContact O-N 3.48Å; L128-Y132 VanDerWaalsContact O-N 3.11Å; Y132-A134 VanDerWaalsContact C-N 3.33Å; Y132-V135 WeakPolarHBondContact O-CB 3.48Å; Y132-V135 PolarHBondContact O-N 3.48Å; Y132-V136 WeakPolarHBondContact O-CG2 3.32Å; Y132-V136 PolarHBondContact O-N 2.76Å; Y132-L179 HydrophobicContact CD1-CD2 4.28Å; Y132-L179 HydrophobicContact CE1-CB 4.18Å; Y132-L179 HydrophobicContact CE1-CD2 4.06Å; Y132-L179 PolarHBondContact OH-O 2.91Å; Y132-C182 HydrophobicContact CE1-CB 4.39Å
133G94.5Very high91.9Very high13 Ų1331.6 Ų31.613%0.13416%0.156CC..Hα-helixtrans-60.1-41.6168.400000112.3D129 V131 V136 R137D129-G133 WeakPolarHBondContact O-CA 3.31Å; D129-G133 PolarHBondContact O-N 2.79Å; V131-G133 VanDerWaalsContact C-N 3.3Å; V131-G133 PolarHBondContact O-N 2.89Å; G133-V136 PolarHBondContact O-N 2.75Å; G133-R137 WeakPolarHBondContact O-CG 3.47Å; G133-R137 PolarHBondContact O-N 3.1Å
134A94.3Very high92.3Very high10 Ų1031.6 Ų31.68%0.08316%0.155CC..Hα-helixtrans-66.5-38.1173.900000112.2T130 V131 Y132 V136 R137 Q138 D186 V187T130-A134 WeakPolarHBondContact O-CB 2.8Å; T130-A134 PolarHBondContact O-N 2.94Å; V131-A134 WeakPolarHBondContact O-CA 3.44Å; V131-A134 WeakPolarHBondContact O-CB 3.26Å; V131-A134 PolarHBondContact O-N 3.4Å; Y132-A134 VanDerWaalsContact C-N 3.33Å; A134-V136 VanDerWaalsContact C-N 3.33Å; A134-V136 PolarHBondContact O-N 2.83Å; A134-R137 PolarHBondContact O-N 3.27Å; A134-R137 VanDerWaalsContact O-N 3.16Å; A134-Q138 WeakPolarHBondContact O-CB 3.5Å; A134-Q138 PolarHBondContact O-N 3.5Å; A134-D186 WeakPolarHBondContact CB-O 3.38Å; A134-V187 HydrophobicContact CB-CB 4.5Å; A134-V187 HydrophobicContact CB-CG2 4.36Å
135V95.1Very high92.9Very high8 Ų827.8 Ų27.85%0.04814%0.138CC..Hα-helixtrans-58.3-42.6174.11750000111.5M101 V131 Y132 R137 Q138 C139 L179 C182 D186M101-V135 HydrophobicContact CE-CB 4.36Å; M101-V135 HydrophobicContact CE-CG1 4.23Å; M101-V135 HydrophobicContact SD-CG1 4.33Å; V131-V135 WeakPolarHBondContact O-CG2 3.32Å; V131-V135 PolarHBondContact O-N 2.94Å; Y132-V135 WeakPolarHBondContact O-CB 3.48Å; Y132-V135 PolarHBondContact O-N 3.48Å; V135-R137 PolarHBondContact O-N 3.25Å; V135-Q138 WeakPolarHBondContact O-CB 3.35Å; V135-Q138 PolarHBondContact O-N 3.36Å; V135-C139 PolarHBondContact O-N 3.09Å; V135-C139 PolarHBondContact O-SG 2.86Å; V135-L179 HydrophobicContact CG1-CD2 4.26Å; V135-C182 HydrophobicContact CG2-CB 4.1Å; V135-D186 HydrophobicContact CG2-CB 4.31Å
136V96.5Very high93.7Very high1 Ų123.6 Ų23.61%0.00612%0.118CC..Hα-helixtrans-62.8-42.9175.7-176.20000111.6F89 F91 I99 M101 Y132 G133 A134 Q138 C139 Y140F89-V136 HydrophobicContact CB-CG2 3.78Å; F91-V136 HydrophobicContact CB-CB 4.43Å; F91-V136 HydrophobicContact CB-CG1 3.61Å; F91-V136 HydrophobicContact CD1-CG1 4.08Å; F91-V136 HydrophobicContact CG-CG1 4.26Å; I99-V136 HydrophobicContact CB-CG1 4.12Å; I99-V136 HydrophobicContact CG2-CG1 3.72Å; M101-V136 HydrophobicContact CB-CG2 3.58Å; M101-V136 HydrophobicContact CE-CG2 3.32Å; M101-V136 HydrophobicContact CG-CG2 4.35Å; M101-V136 HydrophobicContact SD-CG2 3.96Å; Y132-V136 WeakPolarHBondContact O-CG2 3.32Å; Y132-V136 PolarHBondContact O-N 2.76Å; G133-V136 PolarHBondContact O-N 2.75Å; A134-V136 VanDerWaalsContact C-N 3.33Å; A134-V136 PolarHBondContact O-N 2.83Å; V136-Q138 VanDerWaalsContact C-N 3.28Å; V136-Q138 PolarHBondContact O-N 2.7Å; V136-C139 VanDerWaalsContact O-CB 3.31Å; V136-C139 WeakPolarHBondContact O-CB 3.38Å; V136-C139 PolarHBondContact O-N 2.78Å; V136-Y140 PolarHBondContact O-N 3.16Å
137R96.1Very high94.3Very high103 Ų10321.5 Ų21.539%0.38911%0.108SC..Hα-helixtrans-62.5-38.2175.6-62.1-173.8-163.597.710.3111.9F91 G133 A134 V135 C139 Y140 S141F91-R137 HydrophobicContact CD1-CG 4.13Å; F91-R137 HydrophobicContact CD2-CG 3.92Å; F91-R137 HydrophobicContact CE1-CB 4.15Å; F91-R137 HydrophobicContact CE1-CG 3.91Å; F91-R137 HydrophobicContact CE2-CG 3.73Å; F91-R137 HydrophobicContact CG-CG 4.14Å; F91-R137 HydrophobicContact CZ-CB 4.22Å; F91-R137 HydrophobicContact CZ-CG 3.72Å; G133-R137 WeakPolarHBondContact O-CG 3.47Å; G133-R137 PolarHBondContact O-N 3.1Å; A134-R137 PolarHBondContact O-N 3.27Å; A134-R137 VanDerWaalsContact O-N 3.16Å; V135-R137 PolarHBondContact O-N 3.25Å; R137-C139 VanDerWaalsContact C-N 3.31Å; R137-C139 PolarHBondContact O-N 2.97Å; R137-Y140 PolarHBondContact O-N 3.08Å; R137-S141 PolarHBondContact O-N 3.38Å; R137-S141 PolarHBondContact O-OG 2.94Å
138Q95.1Very high94.6Very high27 Ų2721.3 Ų21.313%0.12611%0.107CC..Hα-helixtrans-65.4-35.5176.8-172.459.238.400111.8A134 V135 V136 Y140 S141 M142A134-Q138 WeakPolarHBondContact O-CB 3.5Å; A134-Q138 PolarHBondContact O-N 3.5Å; V135-Q138 WeakPolarHBondContact O-CB 3.35Å; V135-Q138 PolarHBondContact O-N 3.36Å; V136-Q138 VanDerWaalsContact C-N 3.28Å; V136-Q138 PolarHBondContact O-N 2.7Å; Q138-Y140 VanDerWaalsContact C-N 3.33Å; Q138-Y140 PolarHBondContact O-N 2.62Å; Q138-S141 PolarHBondContact O-N 3.48Å; Q138-M142 WeakPolarHBondContact O-CB 3.49Å; Q138-M142 PolarHBondContact O-N 3.5Å
139C96.9Very high94.9Very high0 Ų021.4 Ų21.40%011%0.109CC..Hα-helixtrans-58.2-45.2174.5-65.70000111.8F24 V135 V136 R137 Y143 F170 Y173F24-C139 HydrophobicContact CE2-CB 4.21Å; F24-C139 HydrophobicContact CZ-CB 4.19Å; V135-C139 PolarHBondContact O-N 3.09Å; V135-C139 PolarHBondContact O-SG 2.86Å; V136-C139 VanDerWaalsContact O-CB 3.31Å; V136-C139 WeakPolarHBondContact O-CB 3.38Å; V136-C139 PolarHBondContact O-N 2.78Å; R137-C139 VanDerWaalsContact C-N 3.31Å; R137-C139 PolarHBondContact O-N 2.97Å; C139-Y143 PolarHBondContact O-N 3.1Å; C139-Y143 VanDerWaalsContact O-N 3.12Å; C139-F170 HydrophobicContact CB-CE1 4.16Å; C139-Y173 HydrophobicContact CB-CE1 3.96Å
140Y97.5Very high95.2Very high19 Ų1918.9 Ų18.98%0.07510%0.095CC..Hα-helixtrans-67.7-44.7174.3175-106.6000112.3F91 P93 E94 I99 V136 R137 Q138 M142 Y143 K144 F150F91-Y140 HydrophobicContact CE1-CD1 4.34Å; F91-Y140 HydrophobicContact CE1-CG 4.34Å; P93-Y140 HydrophobicContact CB-CD1 3.5Å; P93-Y140 VanDerWaalsContact CB-CD1 3.5Å; P93-Y140 HydrophobicContact CB-CD2 3.58Å; P93-Y140 HydrophobicContact CB-CE1 3.66Å; P93-Y140 HydrophobicContact CB-CE2 3.73Å; P93-Y140 HydrophobicContact CB-CG 3.46Å; P93-Y140 VanDerWaalsContact CB-CG 3.46Å; P93-Y140 HydrophobicContact CG-CD2 3.84Å; P93-Y140 HydrophobicContact CG-CE2 4.13Å; P93-Y140 HydrophobicContact CG-CG 4.07Å; E94-Y140 VanDerWaalsContact CD-OH 3.29Å; E94-Y140 HydrophobicContact CG-CE2 4.46Å; E94-Y140 WeakPolarHBondContact CG-OH 3.45Å; E94-Y140 VanDerWaalsContact OE1-CE2 3.3Å; E94-Y140 WeakPolarHBondContact OE1-CE2 3.47Å; E94-Y140 VanDerWaalsContact OE1-CZ 3.26Å; E94-Y140 PolarHBondContact OE1-OH 3.39Å; I99-Y140 HydrophobicContact CD1-CD2 4.22Å; I99-Y140 HydrophobicContact CD1-CG 4.37Å; V136-Y140 PolarHBondContact O-N 3.16Å; R137-Y140 PolarHBondContact O-N 3.08Å; Q138-Y140 VanDerWaalsContact C-N 3.33Å; Q138-Y140 PolarHBondContact O-N 2.62Å; Y140-M142 VanDerWaalsContact C-N 3.28Å; Y140-M142 PolarHBondContact O-N 2.71Å; Y140-Y143 WeakPolarHBondContact O-CA 3.29Å; Y140-Y143 WeakPolarHBondContact O-CB 3.45Å; Y140-Y143 PolarHBondContact O-N 3.46Å; Y140-K144 HydrophobicContact CE1-CB 4.43Å; Y140-K144 HydrophobicContact CE1-CD 4.07Å; Y140-K144 WeakPolarHBondContact O-CB 3.42Å; Y140-K144 PolarHBondContact O-N 3.32Å; Y140-F150 HydrophobicContact CD2-CE1 4.14Å; Y140-F150 AromaticContact CD2-CE2 3.82Å; Y140-F150 HydrophobicContact CD2-CE2 3.82Å; Y140-F150 AromaticContact CD2-CZ 3.59Å; Y140-F150 HydrophobicContact CD2-CZ 3.59Å; Y140-F150 HydrophobicContact CE2-CD1 4.4Å; Y140-F150 HydrophobicContact CE2-CD2 4.06Å; Y140-F150 HydrophobicContact CE2-CE1 4.1Å; Y140-F150 AromaticContact CE2-CE2 3.78Å; Y140-F150 HydrophobicContact CE2-CE2 3.78Å; Y140-F150 HydrophobicContact CE2-CG 4.39Å; Y140-F150 AromaticContact CE2-CZ 3.81Å; Y140-F150 HydrophobicContact CE2-CZ 3.81Å
141S96.1Very high95.5Very high28 Ų2818.2 Ų18.220%0.19610%0.095CC..Hα-helixtrans-58.8-41.5-179.2-56.40000111.6R137 Q138 K144 L145R137-S141 PolarHBondContact O-N 3.38Å; R137-S141 PolarHBondContact O-OG 2.94Å; Q138-S141 PolarHBondContact O-N 3.48Å; S141-K144 PolarHBondContact O-N 2.8Å; S141-L145 PolarHBondContact O-N 2.63Å
142M96.4Very high95.5Very high6 Ų621.1 Ų21.13%0.0311%0.106CC..Hα-helixtrans-69.5-37.6175-164.664.371.500112.5Q138 Y140 K144 L145 F146 F169 Y173 K244 Y245Q138-M142 WeakPolarHBondContact O-CB 3.49Å; Q138-M142 PolarHBondContact O-N 3.5Å; Y140-M142 VanDerWaalsContact C-N 3.28Å; Y140-M142 PolarHBondContact O-N 2.71Å; M142-K144 VanDerWaalsContact C-N 3.35Å; M142-L145 HydrophobicContact SD-CD2 4.1Å; M142-F146 HydrophobicContact CG-CE2 4.47Å; M142-F146 WeakPolarHBondContact O-CD2 3.4Å; M142-F146 HydrophobicContact SD-CD2 4.37Å; M142-F146 HydrophobicContact SD-CE2 3.82Å; M142-F169 HydrophobicContact CB-CZ 4.09Å; M142-F169 HydrophobicContact CG-CE2 4.48Å; M142-F169 HydrophobicContact CG-CZ 3.85Å; M142-Y173 HydrophobicContact CB-CE2 3.93Å; M142-Y173 HydrophobicContact CG-CD2 4.13Å; M142-Y173 HydrophobicContact CG-CE2 3.59Å; M142-K244 HydrophobicContact CE-CB 4.46Å; M142-K244 HydrophobicContact CE-CG 4.29Å; M142-Y245 HydrophobicContact SD-CD2 4.26Å; M142-Y245 HydrophobicContact SD-CG 4.46Å
143Y97.3Very high95.5Very high0 Ų020.6 Ų20.60%010%0.104CC..Hα-helixtrans-59.3-48.9171.9170.7-89.1000110.8C139 Y140 L145 F146 N147 G148 F150 K165 L166 F169 F170C139-Y143 PolarHBondContact O-N 3.1Å; C139-Y143 VanDerWaalsContact O-N 3.12Å; Y140-Y143 WeakPolarHBondContact O-CA 3.29Å; Y140-Y143 WeakPolarHBondContact O-CB 3.45Å; Y140-Y143 PolarHBondContact O-N 3.46Å; Y143-L145 VanDerWaalsContact C-N 3.32Å; Y143-L145 PolarHBondContact O-N 2.85Å; Y143-F146 PolarHBondContact O-N 3.08Å; Y143-F146 VanDerWaalsContact O-N 3.08Å; Y143-N147 HydrophobicContact CD1-CB 4.28Å; Y143-N147 HydrophobicContact CD2-CB 4.14Å; Y143-N147 HydrophobicContact CE1-CB 3.8Å; Y143-N147 HydrophobicContact CE2-CB 3.66Å; Y143-N147 HydrophobicContact CG-CB 4.43Å; Y143-N147 VanDerWaalsContact CZ-CB 3.49Å; Y143-N147 WeakPolarHBondContact O-CB 3.12Å; Y143-N147 PolarHBondContact O-N 2.77Å; Y143-N147 PolarHBondContact O-ND2 2.95Å; Y143-G148 VanDerWaalsContact CE1-O 3.29Å; Y143-G148 WeakPolarHBondContact CE1-O 3.23Å; Y143-F150 HydrophobicContact CD1-CD1 4.01Å; Y143-F150 AromaticContact CD1-CE1 3.51Å; Y143-F150 HydrophobicContact CD1-CE1 3.51Å; Y143-F150 HydrophobicContact CD1-CZ 4.45Å; Y143-F150 AromaticContact CE1-CD1 3.37Å; Y143-F150 HydrophobicContact CE1-CD1 3.37Å; Y143-F150 AromaticContact CE1-CE1 3.3Å; Y143-F150 HydrophobicContact CE1-CE1 3.3Å; Y143-F150 HydrophobicContact CE2-CE1 4.44Å; Y143-F150 HydrophobicContact CG-CE1 4.19Å; Y143-F150 AromaticContact CZ-CD1 3.86Å; Y143-F150 AromaticContact CZ-CE1 3.79Å; Y143-K165 HydrophobicContact CE2-CB 4.44Å; Y143-L166 HydrophobicContact CD2-CD2 4.21Å; Y143-L166 HydrophobicContact CE2-CD2 3.66Å; Y143-F169 VanDerWaalsContact CA-CZ 3.49Å; Y143-F169 HydrophobicContact CD2-CB 4.01Å; Y143-F169 AromaticContact CD2-CD1 3.67Å; Y143-F169 HydrophobicContact CD2-CD1 3.67Å; Y143-F169 HydrophobicContact CD2-CE1 4.31Å; Y143-F169 AromaticContact CD2-CG 3.83Å; Y143-F169 HydrophobicContact CD2-CG 3.83Å; Y143-F169 HydrophobicContact CE2-CB 4.36Å; Y143-F169 HydrophobicContact CG-CD1 4.31Å; Y143-F170 HydrophobicContact CD2-CD2 4.35Å; Y143-F170 AromaticContact CD2-CE2 3.69Å; Y143-F170 HydrophobicContact CD2-CE2 3.69Å; Y143-F170 HydrophobicContact CD2-CZ 4.28Å; Y143-F170 HydrophobicContact CE2-CE2 4.41Å; Y143-F170 HydrophobicContact CG-CE2 4.06Å; Y143-F170 HydrophobicContact CG-CZ 4.27Å
144K95.8Very high95.6Very high42 Ų4222.3 Ų22.318%0.18311%0.109CC..Hα-helixtrans-58.5-43.5-178.8-173.5-174.2175.6-166.90111.2Y140 S141 M142 F146 N147 G148 T149 Y307Y140-K144 HydrophobicContact CE1-CB 4.43Å; Y140-K144 HydrophobicContact CE1-CD 4.07Å; Y140-K144 WeakPolarHBondContact O-CB 3.42Å; Y140-K144 PolarHBondContact O-N 3.32Å; S141-K144 PolarHBondContact O-N 2.8Å; M142-K144 VanDerWaalsContact C-N 3.35Å; K144-F146 PolarHBondContact O-N 3.42Å; K144-N147 PolarHBondContact O-N 3.02Å; K144-G148 WeakPolarHBondContact CA-O 3.32Å; K144-G148 WeakPolarHBondContact O-CA 3.28Å; K144-G148 PolarHBondContact O-N 3.49Å; K144-T149 HydrophobicContact CG-CG2 4.49Å; K144-Y307 WeakPolarHBondContact CE-OH 3.1Å; K144-Y307 PolarHBondContact NZ-OH 3.48Å
145L96.3Very high95.6Very high5 Ų529.7 Ų29.73%0.02614%0.142CC..Hα-helixtrans-53.5-37.2176.1-179.166000112.4S141 M142 Y143 I241 Y245 I299 F300S141-L145 PolarHBondContact O-N 2.63Å; M142-L145 HydrophobicContact SD-CD2 4.1Å; Y143-L145 VanDerWaalsContact C-N 3.32Å; Y143-L145 PolarHBondContact O-N 2.85Å; L145-I241 HydrophobicContact CB-CG2 3.92Å; L145-I241 HydrophobicContact CD2-CG2 4.04Å; L145-I241 HydrophobicContact CG-CG2 4.4Å; L145-Y245 HydrophobicContact CD2-CG 4.44Å; L145-I299 HydrophobicContact CD1-CB 3.92Å; L145-I299 HydrophobicContact CD1-CG2 4.15Å; L145-I299 HydrophobicContact CG-CB 4.35Å; L145-I299 HydrophobicContact CG-CG2 4.16Å; L145-I299 CarbonylContact O-C 3.58Å; L145-I299 WeakPolarHBondContact O-CA 3.37Å; L145-F300 PolarHBondContact O-N 2.96Å
146F96.1Very high95.4Very high45 Ų4533.2 Ų33.220%0.19717%0.167CC..Hα-helixtrans-105.8-15.3-174.7-70.6-72000115.3M142 Y143 K144 F169 Y245 P297 K298 I299 F300M142-F146 HydrophobicContact CG-CE2 4.47Å; M142-F146 WeakPolarHBondContact O-CD2 3.4Å; M142-F146 HydrophobicContact SD-CD2 4.37Å; M142-F146 HydrophobicContact SD-CE2 3.82Å; Y143-F146 PolarHBondContact O-N 3.08Å; Y143-F146 VanDerWaalsContact O-N 3.08Å; K144-F146 PolarHBondContact O-N 3.42Å; F146-F169 HydrophobicContact CB-CE2 4.36Å; F146-F169 HydrophobicContact CD2-CE2 4.06Å; F146-Y245 HydrophobicContact CE1-CE2 4.45Å; F146-Y245 AromaticContact CE2-CD2 3.7Å; F146-Y245 HydrophobicContact CE2-CD2 3.7Å; F146-Y245 AromaticContact CE2-CE2 3.92Å; F146-Y245 HydrophobicContact CE2-CE2 3.92Å; F146-Y245 HydrophobicContact CE2-CG 4.12Å; F146-Y245 AromaticContact CZ-CD1 3.98Å; F146-Y245 HydrophobicContact CZ-CD1 3.98Å; F146-Y245 AromaticContact CZ-CD2 3.53Å; F146-Y245 HydrophobicContact CZ-CD2 3.53Å; F146-Y245 AromaticContact CZ-CE1 3.88Å; F146-Y245 HydrophobicContact CZ-CE1 3.88Å; F146-Y245 AromaticContact CZ-CE2 3.43Å; F146-Y245 HydrophobicContact CZ-CE2 3.43Å; F146-Y245 VanDerWaalsContact CZ-CE2 3.43Å; F146-Y245 AromaticContact CZ-CG 3.8Å; F146-Y245 HydrophobicContact CZ-CG 3.8Å; F146-Y245 AromaticContact CZ-CZ 3.61Å; F146-P297 HydrophobicContact CE1-CB 4.14Å; F146-K298 WeakPolarHBondContact CD1-O 3.27Å; F146-I299 HydrophobicContact CD1-CG2 4.15Å; F146-I299 HydrophobicContact CE1-CG2 3.79Å; F146-I299 HydrophobicContact CZ-CG2 4.46Å; F146-F300 WeakPolarHBondContact O-CE2 3.49Å
147N95.1Very high95.3Very high22 Ų2235.1 Ų35.112%0.11819%0.186CC..Hα-helixtrans-127.4-10.3-172.6-64.3-84.9000114.5Y143 K144 K165 F169 F300Y143-N147 HydrophobicContact CD1-CB 4.28Å; Y143-N147 HydrophobicContact CD2-CB 4.14Å; Y143-N147 HydrophobicContact CE1-CB 3.8Å; Y143-N147 HydrophobicContact CE2-CB 3.66Å; Y143-N147 HydrophobicContact CG-CB 4.43Å; Y143-N147 VanDerWaalsContact CZ-CB 3.49Å; Y143-N147 WeakPolarHBondContact O-CB 3.12Å; Y143-N147 PolarHBondContact O-N 2.77Å; Y143-N147 PolarHBondContact O-ND2 2.95Å; K144-N147 PolarHBondContact O-N 3.02Å; N147-K165 HydrophobicContact CB-CD 4.38Å; N147-K165 PolarHBondContact O-NZ 2.85Å; N147-K165 VanDerWaalsContact O-NZ 3.08Å; N147-F169 WeakPolarHBondContact ND2-CD2 3.36Å; N147-F300 VanDerWaalsContact C-CE2 3.45Å
148G93.8Very high95.2Very high0 Ų031.5 Ų31.50%018%0.181CC..  trans76.8-169.3-167.100000112.2Y143 K144 F300Y143-G148 VanDerWaalsContact CE1-O 3.29Å; Y143-G148 WeakPolarHBondContact CE1-O 3.23Å; K144-G148 WeakPolarHBondContact CA-O 3.32Å; K144-G148 WeakPolarHBondContact O-CA 3.28Å; K144-G148 PolarHBondContact O-N 3.49Å; G148-F300 VanDerWaalsContact N-CD2 3.27Å
149T94.9Very high95.3Very high21 Ų2132.7 Ų32.713%0.12919%0.19CC..  trans-71.2158.6175.359.20000111.7E94 K144 G151 R152 A153 Y307E94-T149 WeakPolarHBondContact OE1-CA 3.45Å; E94-T149 VanDerWaalsContact OE1-CB 3.27Å; E94-T149 WeakPolarHBondContact OE1-CB 3.39Å; K144-T149 HydrophobicContact CG-CG2 4.49Å; T149-G151 VanDerWaalsContact C-N 3.28Å; T149-G151 PolarHBondContact O-N 2.85Å; T149-R152 PolarHBondContact O-N 2.99Å; T149-R152 WeakPolarHBondContact OG1-CB 3.49Å; T149-R152 PolarHBondContact OG1-N 3.5Å; T149-R152 VanDerWaalsContact OG1-N 3.11Å; T149-A153 PolarHBondContact O-N 3.27Å; T149-Y307 HydrophobicContact CG2-CE2 3.85Å
150F96.8Very high95.3Very high0 Ų039.9 Ų39.90%022%0.224CC..Hα-helixtrans-59.1-43.1169.8-56.7-33.2000110.4I26 P93 E94 F97 I99 Y140 Y143 R152 A153 M154 L162 L166I26-F150 HydrophobicContact CD1-CZ 4.35Å; I26-F150 HydrophobicContact CG2-CE2 4.45Å; I26-F150 HydrophobicContact CG2-CZ 4.46Å; P93-F150 HydrophobicContact CG-CD2 4.43Å; P93-F150 HydrophobicContact CG-CE2 3.74Å; E94-F150 PolarHBondContact OE1-N 3.22Å; E94-F150 WeakPolarHBondContact OE2-CB 3.15Å; E94-F150 PolarHBondContact OE2-N 3.05Å; F97-F150 HydrophobicContact CB-CD2 3.58Å; F97-F150 HydrophobicContact CB-CE2 4Å; F97-F150 HydrophobicContact CD1-CB 4.17Å; F97-F150 AromaticContact CD1-CD2 3.87Å; F97-F150 HydrophobicContact CD1-CD2 3.87Å; F97-F150 HydrophobicContact CD1-CG 4.31Å; F97-F150 HydrophobicContact CD2-CB 4.22Å; F97-F150 HydrophobicContact CD2-CD2 4.29Å; F97-F150 HydrophobicContact CE1-CB 4.15Å; F97-F150 HydrophobicContact CE2-CB 4.21Å; F97-F150 HydrophobicContact CG-CB 4.2Å; F97-F150 AromaticContact CG-CD2 3.65Å; F97-F150 HydrophobicContact CG-CD2 3.65Å; F97-F150 HydrophobicContact CG-CE2 4.47Å; F97-F150 HydrophobicContact CG-CG 4.35Å; F97-F150 HydrophobicContact CZ-CB 4.17Å; I99-F150 HydrophobicContact CD1-CE2 4.39Å; I99-F150 HydrophobicContact CD1-CZ 4.1Å; I99-F150 HydrophobicContact CG1-CE2 4.49Å; Y140-F150 HydrophobicContact CD2-CE1 4.14Å; Y140-F150 AromaticContact CD2-CE2 3.82Å; Y140-F150 HydrophobicContact CD2-CE2 3.82Å; Y140-F150 AromaticContact CD2-CZ 3.59Å; Y140-F150 HydrophobicContact CD2-CZ 3.59Å; Y140-F150 HydrophobicContact CE2-CD1 4.4Å; Y140-F150 HydrophobicContact CE2-CD2 4.06Å; Y140-F150 HydrophobicContact CE2-CE1 4.1Å; Y140-F150 AromaticContact CE2-CE2 3.78Å; Y140-F150 HydrophobicContact CE2-CE2 3.78Å; Y140-F150 HydrophobicContact CE2-CG 4.39Å; Y140-F150 AromaticContact CE2-CZ 3.81Å; Y140-F150 HydrophobicContact CE2-CZ 3.81Å; Y143-F150 HydrophobicContact CD1-CD1 4.01Å; Y143-F150 AromaticContact CD1-CE1 3.51Å; Y143-F150 HydrophobicContact CD1-CE1 3.51Å; Y143-F150 HydrophobicContact CD1-CZ 4.45Å; Y143-F150 AromaticContact CE1-CD1 3.37Å; Y143-F150 HydrophobicContact CE1-CD1 3.37Å; Y143-F150 AromaticContact CE1-CE1 3.3Å; Y143-F150 HydrophobicContact CE1-CE1 3.3Å; Y143-F150 HydrophobicContact CE2-CE1 4.44Å; Y143-F150 HydrophobicContact CG-CE1 4.19Å; Y143-F150 AromaticContact CZ-CD1 3.86Å; Y143-F150 AromaticContact CZ-CE1 3.79Å; F150-R152 PolarHBondContact O-N 3.16Å; F150-A153 WeakPolarHBondContact O-CB 3.18Å; F150-A153 PolarHBondContact O-N 2.72Å; F150-A153 VanDerWaalsContact O-N 3.16Å; F150-M154 VanDerWaalsContact O-CG 3.32Å; F150-M154 WeakPolarHBondContact O-CG 3.31Å; F150-M154 PolarHBondContact O-N 2.8Å; F150-L162 HydrophobicContact CB-CD1 4.11Å; F150-L162 HydrophobicContact CB-CD2 4.24Å; F150-L162 HydrophobicContact CD1-CD1 3.75Å; F150-L162 HydrophobicContact CG-CD1 4.25Å; F150-L166 HydrophobicContact CD1-CD2 4.14Å; F150-L166 HydrophobicContact CE1-CD2 3.53Å; F150-L166 HydrophobicContact CZ-CD2 4.22Å
151G94.6Very high95.2Very high20 Ų2041.4 Ų41.421%0.20623%0.233CC..Hα-helixtrans-53.5-46.3174.400000113.3E94 T149 A153 M154 E155E94-G151 PolarHBondContact OE2-N 2.94Å; T149-G151 VanDerWaalsContact C-N 3.28Å; T149-G151 PolarHBondContact O-N 2.85Å; G151-A153 VanDerWaalsContact C-N 3.35Å; G151-A153 PolarHBondContact O-N 3.25Å; G151-M154 WeakPolarHBondContact O-CA 3.42Å; G151-M154 VanDerWaalsContact O-CB 3.32Å; G151-M154 WeakPolarHBondContact O-CB 3.46Å; G151-M154 PolarHBondContact O-N 2.84Å; G151-M154 VanDerWaalsContact O-N 3.13Å; G151-E155 WeakPolarHBondContact O-CG 3.44Å; G151-E155 PolarHBondContact O-N 3.45Å
152R92.2Very high95.3Very high62 Ų6240.1 Ų40.123%0.23422%0.224CC..Hα-helixtrans-64.7-38.4178.4-175176178.3146.6-3.4112.5T149 F150 M154 E155 S156 Y307 E309T149-R152 PolarHBondContact O-N 2.99Å; T149-R152 WeakPolarHBondContact OG1-CB 3.49Å; T149-R152 PolarHBondContact OG1-N 3.5Å; T149-R152 VanDerWaalsContact OG1-N 3.11Å; F150-R152 PolarHBondContact O-N 3.16Å; R152-M154 VanDerWaalsContact C-N 3.32Å; R152-E155 PolarHBondContact O-N 3.28Å; R152-S156 WeakPolarHBondContact O-CB 3.13Å; R152-S156 PolarHBondContact O-N 2.9Å; R152-S156 PolarHBondContact O-OG 2.94Å; R152-Y307 PolarHBondContact NH1-O 2.96Å; R152-E309 IonicContact CZ-OE1 2.62Å; R152-E309 IonicContact NE-OE1 3.49Å; R152-E309 IonicContact NH2-OE1 2.77Å; R152-E309 PolarHBondContact NH2-OE1 3.35Å
153A94.9Very high95.4Very high0 Ų042.1 Ų42.10%023%0.234CC..Hα-helixtrans-64.8-39.1174.500000111.5T149 F150 G151 S156 G157 L162 K165T149-A153 PolarHBondContact O-N 3.27Å; F150-A153 WeakPolarHBondContact O-CB 3.18Å; F150-A153 PolarHBondContact O-N 2.72Å; F150-A153 VanDerWaalsContact O-N 3.16Å; G151-A153 VanDerWaalsContact C-N 3.35Å; G151-A153 PolarHBondContact O-N 3.25Å; A153-S156 PolarHBondContact O-N 2.78Å; A153-G157 PolarHBondContact O-N 3.48Å; A153-G157 VanDerWaalsContact O-N 3.09Å; A153-L162 HydrophobicContact CB-CB 4.21Å; A153-L162 HydrophobicContact CB-CD1 3.98Å; A153-K165 HydrophobicContact CB-CD 4Å
154M95.2Very high95.4Very high50 Ų5047.7 Ų47.725%0.24626%0.26CS..Hα-helixtrans-62.8-44.2174.4-70.3-70.2-60.800112.2F31 F97 F150 G151 R152 S156 G158 V159 L162F31-M154 HydrophobicContact CE1-CE 4.22Å; F31-M154 HydrophobicContact CE2-CE 4.38Å; F31-M154 HydrophobicContact CE2-SD 4.49Å; F31-M154 HydrophobicContact CZ-CE 3.57Å; F31-M154 HydrophobicContact CZ-SD 4.14Å; F97-M154 HydrophobicContact CZ-CG 4.06Å; F150-M154 VanDerWaalsContact O-CG 3.32Å; F150-M154 WeakPolarHBondContact O-CG 3.31Å; F150-M154 PolarHBondContact O-N 2.8Å; G151-M154 WeakPolarHBondContact O-CA 3.42Å; G151-M154 VanDerWaalsContact O-CB 3.32Å; G151-M154 WeakPolarHBondContact O-CB 3.46Å; G151-M154 PolarHBondContact O-N 2.84Å; G151-M154 VanDerWaalsContact O-N 3.13Å; R152-M154 VanDerWaalsContact C-N 3.32Å; M154-S156 VanDerWaalsContact C-N 3.34Å; M154-S156 PolarHBondContact O-N 3.48Å; M154-G158 WeakPolarHBondContact O-CA 3.15Å; M154-G158 PolarHBondContact O-N 3.44Å; M154-V159 HydrophobicContact CE-CG2 3.57Å; M154-V159 HydrophobicContact SD-CB 4.33Å; M154-V159 HydrophobicContact SD-CG2 3.79Å; M154-L162 HydrophobicContact CG-CD2 3.95Å; M154-L162 HydrophobicContact SD-CB 4.24Å; M154-L162 HydrophobicContact SD-CD2 3.78Å
155E93.9Very high95.4Very high165 Ų16547.9 Ų47.977%0.77126%0.261SS*.Hα-helixtrans-64.6-38.2176.7-71.6167.9-176.400112.4G151 R152G151-E155 WeakPolarHBondContact O-CG 3.44Å; G151-E155 PolarHBondContact O-N 3.45Å; R152-E155 PolarHBondContact O-N 3.28Å
156S92.6Very high95.5Very high82 Ų8247.6 Ų47.657%0.57326%0.26SS*.Hα-helixtrans-78.5-31.7-174.2-57.90000113.7R152 A153 M154R152-S156 WeakPolarHBondContact O-CB 3.13Å; R152-S156 PolarHBondContact O-N 2.9Å; R152-S156 PolarHBondContact O-OG 2.94Å; A153-S156 PolarHBondContact O-N 2.78Å; M154-S156 VanDerWaalsContact C-N 3.34Å; M154-S156 PolarHBondContact O-N 3.48Å
157G92.9Very high95.5Very high40 Ų4050.6 Ų50.641%0.41227%0.274SS..Hα-helixtrans-162.519-173.800000115.2A153 L161A153-G157 PolarHBondContact O-N 3.48Å; A153-G157 VanDerWaalsContact O-N 3.09Å; G157-L161 WeakPolarHBondContact O-CB 3.17Å; G157-L161 PolarHBondContact O-N 2.83Å
158G95.8Very high95.6Very high27 Ų2757.4 Ų57.428%0.27830%0.303SS..Hα-helixtrans66.5-163.917600000114.8M154 E160 L161 L162M154-G158 WeakPolarHBondContact O-CA 3.15Å; M154-G158 PolarHBondContact O-N 3.44Å; G158-E160 VanDerWaalsContact C-N 3.3Å; G158-E160 PolarHBondContact O-N 3.32Å; G158-L161 PolarHBondContact O-N 2.9Å; G158-L162 PolarHBondContact O-N 2.96Å
159V96Very high95.7Very high52 Ų5258.8 Ų58.832%0.31531%0.309SS..Hα-helixtrans-61.1-38.9-176.2179.70000111.7F31 L43 M154 L161 L162 I163F31-V159 HydrophobicContact CD2-CG2 4.35Å; F31-V159 HydrophobicContact CE2-CG1 4.5Å; F31-V159 HydrophobicContact CE2-CG2 3.9Å; F31-V159 HydrophobicContact CZ-CG2 4.07Å; L43-V159 HydrophobicContact CD2-CG1 3.78Å; M154-V159 HydrophobicContact CE-CG2 3.57Å; M154-V159 HydrophobicContact SD-CB 4.33Å; M154-V159 HydrophobicContact SD-CG2 3.79Å; V159-L161 PolarHBondContact O-N 3.07Å; V159-L162 PolarHBondContact O-N 3.44Å; V159-I163 HydrophobicContact CG1-CD1 3.79Å; V159-I163 HydrophobicContact CG1-CG1 4.21Å; V159-I163 WeakPolarHBondContact O-CG1 3.35Å; V159-I163 PolarHBondContact O-N 3.07Å
160E96.1Very high95.9Very high152 Ų15257.8 Ų57.871%0.7130%0.302SS*.Hα-helixtrans-63.1-44.8-178.5-65.7-178.8-173.700112.1G158 L162 I163 Q164G158-E160 VanDerWaalsContact C-N 3.3Å; G158-E160 PolarHBondContact O-N 3.32Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.34Å; E160-I163 PolarHBondContact O-N 3.4Å; E160-Q164 WeakPolarHBondContact O-CG 3.41Å; E160-Q164 PolarHBondContact O-N 3.06Å; E160-Q164 VanDerWaalsContact O-N 3.08Å
161L96.9Very high95.7Very high51 Ų5164.2 Ų64.227%0.26733%0.328SS..Hα-helixtrans-64.7-39.9176.1-179.862.6000111.5G157 G158 V159 Q164 K165G157-L161 WeakPolarHBondContact O-CB 3.17Å; G157-L161 PolarHBondContact O-N 2.83Å; G158-L161 PolarHBondContact O-N 2.9Å; V159-L161 PolarHBondContact O-N 3.07Å; L161-Q164 PolarHBondContact O-N 3.18Å; L161-K165 WeakPolarHBondContact O-CG 3.12Å; L161-K165 PolarHBondContact O-N 3.15Å
162L97.9Very high95.5Very high0 Ų072.2 Ų72.20%035%0.352CS..Hα-helixtrans-60.4-50.9176.2175.359000110.8L43 F97 F150 A153 M154 G158 V159 E160 Q164 K165 L166L43-L162 HydrophobicContact CD1-CD2 4.03Å; F97-L162 HydrophobicContact CE1-CD2 3.67Å; F97-L162 HydrophobicContact CZ-CD2 4.21Å; F150-L162 HydrophobicContact CB-CD1 4.11Å; F150-L162 HydrophobicContact CB-CD2 4.24Å; F150-L162 HydrophobicContact CD1-CD1 3.75Å; F150-L162 HydrophobicContact CG-CD1 4.25Å; A153-L162 HydrophobicContact CB-CB 4.21Å; A153-L162 HydrophobicContact CB-CD1 3.98Å; M154-L162 HydrophobicContact CG-CD2 3.95Å; M154-L162 HydrophobicContact SD-CB 4.24Å; M154-L162 HydrophobicContact SD-CD2 3.78Å; G158-L162 PolarHBondContact O-N 2.96Å; V159-L162 PolarHBondContact O-N 3.44Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.34Å; L162-Q164 VanDerWaalsContact C-N 3.33Å; L162-Q164 PolarHBondContact O-N 3.41Å; L162-K165 PolarHBondContact O-N 2.91Å; L162-K165 VanDerWaalsContact O-N 3.14Å; L162-L166 HydrophobicContact CD1-CD1 4.03Å; L162-L166 HydrophobicContact CD1-CD2 4.2Å; L162-L166 HydrophobicContact CD1-CG 3.87Å; L162-L166 HydrophobicContact CG-CD1 3.94Å; L162-L166 HydrophobicContact CG-CG 4.23Å; L162-L166 VanDerWaalsContact O-CG 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.31Å; L162-L166 PolarHBondContact O-N 3.15Å
163I97.7Very high95.7Very high48 Ų4870.7 Ų70.725%0.24635%0.346CS..Hα-helixtrans-55.3-48.3178.1-69.2173.8000110.6L43 V159 E160 K165 L166 E167L43-I163 HydrophobicContact CD2-CD1 4.39Å; L43-I163 HydrophobicContact CD2-CG1 4.09Å; V159-I163 HydrophobicContact CG1-CD1 3.79Å; V159-I163 HydrophobicContact CG1-CG1 4.21Å; V159-I163 WeakPolarHBondContact O-CG1 3.35Å; V159-I163 PolarHBondContact O-N 3.07Å; E160-I163 PolarHBondContact O-N 3.4Å; I163-K165 VanDerWaalsContact C-N 3.34Å; I163-K165 PolarHBondContact O-N 2.89Å; I163-L166 PolarHBondContact O-N 2.71Å; I163-E167 HydrophobicContact CG2-CG 4.27Å; I163-E167 WeakPolarHBondContact O-CG 3.29Å; I163-E167 PolarHBondContact O-N 2.82Å
164Q97.2Very high95.7Very high117 Ų11771.1 Ų71.155%0.54735%0.348SS..Hα-helixtrans-59.4-42.1178.6-70.7173.823.500112.7E160 L161 L162 K168E160-Q164 WeakPolarHBondContact O-CG 3.41Å; E160-Q164 PolarHBondContact O-N 3.06Å; E160-Q164 VanDerWaalsContact O-N 3.08Å; L161-Q164 PolarHBondContact O-N 3.18Å; L162-Q164 VanDerWaalsContact C-N 3.33Å; L162-Q164 PolarHBondContact O-N 3.41Å; Q164-K168 VanDerWaalsContact O-CB 3.26Å; Q164-K168 WeakPolarHBondContact O-CB 3.37Å; Q164-K168 PolarHBondContact O-N 2.82Å
165K97.2Very high95.4Very high46 Ų4674.9 Ų74.920%0.237%0.365CS..Hα-helixtrans-64.8-44.6175.9-78.6-176.6167.1-170.30111.6Y143 N147 A153 L161 L162 I163 F169Y143-K165 HydrophobicContact CE2-CB 4.44Å; N147-K165 HydrophobicContact CB-CD 4.38Å; N147-K165 PolarHBondContact O-NZ 2.85Å; N147-K165 VanDerWaalsContact O-NZ 3.08Å; A153-K165 HydrophobicContact CB-CD 4Å; L161-K165 WeakPolarHBondContact O-CG 3.12Å; L161-K165 PolarHBondContact O-N 3.15Å; L162-K165 PolarHBondContact O-N 2.91Å; L162-K165 VanDerWaalsContact O-N 3.14Å; I163-K165 VanDerWaalsContact C-N 3.34Å; I163-K165 PolarHBondContact O-N 2.89Å; K165-F169 WeakPolarHBondContact O-CB 3.4Å; K165-F169 PolarHBondContact O-N 2.9Å
166L98.1Very high95.2Very high0 Ų069.6 Ų69.60%034%0.344CS..Hα-helixtrans-60.5-50.5178.4-68.6176.5000111I26 L43 F44 Y143 F150 L162 I163 K168 F169 F170I26-L166 HydrophobicContact CD1-CD1 4.28Å; I26-L166 HydrophobicContact CD1-CD2 3.64Å; I26-L166 HydrophobicContact CD1-CG 4.47Å; I26-L166 HydrophobicContact CG2-CD1 4.4Å; L43-L166 HydrophobicContact CB-CD1 3.68Å; F44-L166 HydrophobicContact CB-CB 4.1Å; F44-L166 HydrophobicContact CB-CD1 4.19Å; F44-L166 HydrophobicContact CD2-CB 4.41Å; F44-L166 HydrophobicContact CG-CB 4.48Å; Y143-L166 HydrophobicContact CD2-CD2 4.21Å; Y143-L166 HydrophobicContact CE2-CD2 3.66Å; F150-L166 HydrophobicContact CD1-CD2 4.14Å; F150-L166 HydrophobicContact CE1-CD2 3.53Å; F150-L166 HydrophobicContact CZ-CD2 4.22Å; L162-L166 HydrophobicContact CD1-CD1 4.03Å; L162-L166 HydrophobicContact CD1-CD2 4.2Å; L162-L166 HydrophobicContact CD1-CG 3.87Å; L162-L166 HydrophobicContact CG-CD1 3.94Å; L162-L166 HydrophobicContact CG-CG 4.23Å; L162-L166 VanDerWaalsContact O-CG 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.31Å; L162-L166 PolarHBondContact O-N 3.15Å; I163-L166 PolarHBondContact O-N 2.71Å; L166-K168 PolarHBondContact O-N 2.84Å; L166-F169 PolarHBondContact O-N 3.4Å; L166-F170 HydrophobicContact CB-CD2 4.43Å; L166-F170 HydrophobicContact CD2-CD2 4.03Å; L166-F170 HydrophobicContact CD2-CE2 3.75Å; L166-F170 WeakPolarHBondContact O-CB 3.41Å; L166-F170 WeakPolarHBondContact O-CD2 3.45Å; L166-F170 PolarHBondContact O-N 3.1Å
167E96.5Very high95Very high107 Ų10767.4 Ų67.450%0.533%0.326SS..Hα-helixtrans-58.7-50.6178.6-73-178.315900111.6F44 I163 F169 Y171F44-E167 HydrophobicContact CD2-CG 4.12Å; F44-E167 HydrophobicContact CE2-CG 4.49Å; I163-E167 HydrophobicContact CG2-CG 4.27Å; I163-E167 WeakPolarHBondContact O-CG 3.29Å; I163-E167 PolarHBondContact O-N 2.82Å; E167-F169 VanDerWaalsContact C-N 3.29Å; E167-F169 PolarHBondContact O-N 2.97Å; E167-Y171 WeakPolarHBondContact O-CB 3.37Å; E167-Y171 PolarHBondContact O-N 3.41Å; E167-Y171 VanDerWaalsContact O-N 3.11Å
168K95.8Very high94.7Very high165 Ų16568.8 Ų68.872%0.71732%0.322SS*.Hα-helixtrans-59.3-40.3-179.1-176.7179178.6-177.40112.4Q164 L166Q164-K168 VanDerWaalsContact O-CB 3.26Å; Q164-K168 WeakPolarHBondContact O-CB 3.37Å; Q164-K168 PolarHBondContact O-N 2.82Å; L166-K168 PolarHBondContact O-N 2.84Å
169F97.3Very high94.4Very high29 Ų2967.9 Ų67.913%0.12731%0.311CS..Hα-helixtrans-78.3-59.9-178.3-179-93.3000111.9M142 Y143 F146 N147 K165 L166 E167 Y171 R172 Y173M142-F169 HydrophobicContact CB-CZ 4.09Å; M142-F169 HydrophobicContact CG-CE2 4.48Å; M142-F169 HydrophobicContact CG-CZ 3.85Å; Y143-F169 VanDerWaalsContact CA-CZ 3.49Å; Y143-F169 HydrophobicContact CD2-CB 4.01Å; Y143-F169 AromaticContact CD2-CD1 3.67Å; Y143-F169 HydrophobicContact CD2-CD1 3.67Å; Y143-F169 HydrophobicContact CD2-CE1 4.31Å; Y143-F169 AromaticContact CD2-CG 3.83Å; Y143-F169 HydrophobicContact CD2-CG 3.83Å; Y143-F169 HydrophobicContact CE2-CB 4.36Å; Y143-F169 HydrophobicContact CG-CD1 4.31Å; F146-F169 HydrophobicContact CB-CE2 4.36Å; F146-F169 HydrophobicContact CD2-CE2 4.06Å; N147-F169 WeakPolarHBondContact ND2-CD2 3.36Å; K165-F169 WeakPolarHBondContact O-CB 3.4Å; K165-F169 PolarHBondContact O-N 2.9Å; L166-F169 PolarHBondContact O-N 3.4Å; E167-F169 VanDerWaalsContact C-N 3.29Å; E167-F169 PolarHBondContact O-N 2.97Å; F169-Y171 VanDerWaalsContact C-N 3.34Å; F169-Y171 PolarHBondContact O-N 3.16Å; F169-R172 PolarHBondContact O-N 2.97Å; F169-Y173 HydrophobicContact CD1-CG 4.46Å; F169-Y173 AromaticContact CE1-CD1 3.83Å; F169-Y173 HydrophobicContact CE1-CD1 3.83Å; F169-Y173 HydrophobicContact CE1-CD2 4.22Å; F169-Y173 AromaticContact CE1-CG 3.64Å; F169-Y173 HydrophobicContact CE1-CG 3.64Å; F169-Y173 HydrophobicContact CZ-CD1 4.34Å; F169-Y173 AromaticContact CZ-CD2 3.92Å; F169-Y173 HydrophobicContact CZ-CD2 3.92Å; F169-Y173 AromaticContact CZ-CG 3.81Å; F169-Y173 HydrophobicContact CZ-CG 3.81Å; F169-Y173 WeakPolarHBondContact O-CB 3.36Å; F169-Y173 PolarHBondContact O-N 3.28Å
170F97.6Very high93.8Very high0 Ų070.7 Ų70.70%032%0.32CS..Hα-helixtrans-69.4-29.4-170.4-77.2-70.8000113.1F24 I26 F44 C139 Y143 L166 R172 Y173 L174F24-F170 AromaticContact CE1-CD1 3.73Å; F24-F170 HydrophobicContact CE1-CD1 3.73Å; F24-F170 AromaticContact CE1-CE1 3.8Å; F24-F170 HydrophobicContact CE1-CE1 3.8Å; F24-F170 HydrophobicContact CE1-CG 4.15Å; F24-F170 HydrophobicContact CE1-CZ 4.27Å; F24-F170 AromaticContact CZ-CD1 3.99Å; F24-F170 HydrophobicContact CZ-CD1 3.99Å; F24-F170 AromaticContact CZ-CE1 3.67Å; F24-F170 HydrophobicContact CZ-CE1 3.67Å; F24-F170 HydrophobicContact CZ-CZ 4.23Å; I26-F170 HydrophobicContact CD1-CD2 3.85Å; I26-F170 HydrophobicContact CD1-CE2 3.49Å; I26-F170 VanDerWaalsContact CD1-CE2 3.49Å; I26-F170 HydrophobicContact CD1-CZ 4.09Å; F44-F170 HydrophobicContact CD1-CB 4.26Å; F44-F170 HydrophobicContact CD2-CB 4.48Å; F44-F170 HydrophobicContact CE1-CB 3.67Å; F44-F170 HydrophobicContact CE1-CG 4.36Å; F44-F170 HydrophobicContact CE2-CB 3.91Å; F44-F170 HydrophobicContact CZ-CB 3.46Å; F44-F170 VanDerWaalsContact CZ-CB 3.46Å; C139-F170 HydrophobicContact CB-CE1 4.16Å; Y143-F170 HydrophobicContact CD2-CD2 4.35Å; Y143-F170 AromaticContact CD2-CE2 3.69Å; Y143-F170 HydrophobicContact CD2-CE2 3.69Å; Y143-F170 HydrophobicContact CD2-CZ 4.28Å; Y143-F170 HydrophobicContact CE2-CE2 4.41Å; Y143-F170 HydrophobicContact CG-CE2 4.06Å; Y143-F170 HydrophobicContact CG-CZ 4.27Å; L166-F170 HydrophobicContact CB-CD2 4.43Å; L166-F170 HydrophobicContact CD2-CD2 4.03Å; L166-F170 HydrophobicContact CD2-CE2 3.75Å; L166-F170 WeakPolarHBondContact O-CB 3.41Å; L166-F170 WeakPolarHBondContact O-CD2 3.45Å; L166-F170 PolarHBondContact O-N 3.1Å; F170-R172 PolarHBondContact O-N 3.36Å; F170-Y173 HydrophobicContact CD1-CD1 4.09Å; F170-Y173 HydrophobicContact CE1-CD1 4.15Å; F170-Y173 PolarHBondContact O-N 3.42Å; F170-L174 HydrophobicContact CB-CD1 4.28Å; F170-L174 HydrophobicContact CB-CG 4.3Å; F170-L174 HydrophobicContact CD1-CD2 4.16Å; F170-L174 HydrophobicContact CD1-CG 4.21Å; F170-L174 WeakPolarHBondContact O-CB 3.37Å; F170-L174 VanDerWaalsContact O-CG 3.25Å; F170-L174 WeakPolarHBondContact O-CG 3.42Å; F170-L174 PolarHBondContact O-N 2.84Å
171Y92.4Very high93.2Very high135 Ų13564.5 Ų64.553%0.52929%0.294SS..Hα-helixtrans-56.2-37.7176-174.1-94.3000112.7E167 F169 Q175E167-Y171 WeakPolarHBondContact O-CB 3.37Å; E167-Y171 PolarHBondContact O-N 3.41Å; E167-Y171 VanDerWaalsContact O-N 3.11Å; F169-Y171 VanDerWaalsContact C-N 3.34Å; F169-Y171 PolarHBondContact O-N 3.16Å; Y171-Q175 PolarHBondContact O-NE2 3.47Å
172R92.2Very high92.7Very high189 Ų18963.5 Ų63.571%0.71329%0.291SS*.Hα-helixtrans-90.1-42176.6-63.7-177.1-175.9-177.40.5112.1F169 F170 L174 Q175F169-R172 PolarHBondContact O-N 2.97Å; F170-R172 PolarHBondContact O-N 3.36Å; R172-L174 PolarHBondContact O-N 3.1Å; R172-Q175 PolarHBondContact O-N 2.82Å
173Y94.8Very high92.2Very high29 Ų2963.8 Ų63.811%0.11429%0.292CS..Hα-helixtrans-63.8-42.1-174178.7-104.3000112.6C139 M142 F169 F170 Q175 T176 L177C139-Y173 HydrophobicContact CB-CE1 3.96Å; M142-Y173 HydrophobicContact CB-CE2 3.93Å; M142-Y173 HydrophobicContact CG-CD2 4.13Å; M142-Y173 HydrophobicContact CG-CE2 3.59Å; F169-Y173 HydrophobicContact CD1-CG 4.46Å; F169-Y173 AromaticContact CE1-CD1 3.83Å; F169-Y173 HydrophobicContact CE1-CD1 3.83Å; F169-Y173 HydrophobicContact CE1-CD2 4.22Å; F169-Y173 AromaticContact CE1-CG 3.64Å; F169-Y173 HydrophobicContact CE1-CG 3.64Å; F169-Y173 HydrophobicContact CZ-CD1 4.34Å; F169-Y173 AromaticContact CZ-CD2 3.92Å; F169-Y173 HydrophobicContact CZ-CD2 3.92Å; F169-Y173 AromaticContact CZ-CG 3.81Å; F169-Y173 HydrophobicContact CZ-CG 3.81Å; F169-Y173 WeakPolarHBondContact O-CB 3.36Å; F169-Y173 PolarHBondContact O-N 3.28Å; F170-Y173 HydrophobicContact CD1-CD1 4.09Å; F170-Y173 HydrophobicContact CE1-CD1 4.15Å; F170-Y173 PolarHBondContact O-N 3.42Å; Y173-Q175 PolarHBondContact O-N 3.46Å; Y173-T176 WeakPolarHBondContact O-CB 3.28Å; Y173-T176 PolarHBondContact O-N 2.75Å; Y173-T176 PolarHBondContact O-OG1 3.49Å; Y173-L177 HydrophobicContact CE1-CD2 3.95Å; Y173-L177 HydrophobicContact CE1-CG 4.46Å
174L94.9Very high91.8Very high9 Ų961.5 Ų61.55%0.04728%0.28CS..G310 helixtrans-62.3-28.6-179.2-65.8176.3000112.9L21 F24 F44 H46 F170 R172 T176 L177L21-L174 HydrophobicContact CD2-CB 4.33Å; L21-L174 HydrophobicContact CD2-CD1 4.4Å; L21-L174 HydrophobicContact CD2-CD2 4.27Å; F24-L174 HydrophobicContact CB-CD1 3.82Å; F24-L174 HydrophobicContact CB-CD2 4.28Å; F24-L174 HydrophobicContact CD1-CD1 3.88Å; F24-L174 HydrophobicContact CD1-CD2 4.1Å; F24-L174 HydrophobicContact CD2-CD2 3.79Å; F24-L174 HydrophobicContact CE1-CD2 4.34Å; F24-L174 HydrophobicContact CE2-CD2 4.06Å; F24-L174 HydrophobicContact CG-CD1 3.91Å; F24-L174 HydrophobicContact CG-CD2 3.8Å; F24-L174 HydrophobicContact CZ-CD2 4.31Å; F44-L174 HydrophobicContact CE1-CD1 3.89Å; F44-L174 HydrophobicContact CZ-CD1 4.14Å; H46-L174 HydrophobicContact CB-CD1 3.72Å; F170-L174 HydrophobicContact CB-CD1 4.28Å; F170-L174 HydrophobicContact CB-CG 4.3Å; F170-L174 HydrophobicContact CD1-CD2 4.16Å; F170-L174 HydrophobicContact CD1-CG 4.21Å; F170-L174 WeakPolarHBondContact O-CB 3.37Å; F170-L174 VanDerWaalsContact O-CG 3.25Å; F170-L174 WeakPolarHBondContact O-CG 3.42Å; F170-L174 PolarHBondContact O-N 2.84Å; R172-L174 PolarHBondContact O-N 3.1Å; L174-T176 PolarHBondContact O-N 2.9Å; L174-L177 HydrophobicContact CD2-CD1 3.63Å; L174-L177 WeakPolarHBondContact O-CB 3.13Å; L174-L177 PolarHBondContact O-N 3.15Å
175Q90.8Very high91.4Very high129 Ų12956.3 Ų56.360%0.60326%0.256SS*.G310 helixtrans-70.1-17176.2-57.3178.317.700113Y171 R172 Y173Y171-Q175 PolarHBondContact O-NE2 3.47Å; R172-Q175 PolarHBondContact O-N 2.82Å; Y173-Q175 PolarHBondContact O-N 3.46Å
176T88.8Confident91.1Very high54 Ų5455.7 Ų55.733%0.33126%0.255SS..G310 helixtrans-92.1-4.4177.870.20000112.9Y173 L174 H178Y173-T176 WeakPolarHBondContact O-CB 3.28Å; Y173-T176 PolarHBondContact O-N 2.75Å; Y173-T176 PolarHBondContact O-OG1 3.49Å; L174-T176 PolarHBondContact O-N 2.9Å; T176-H178 PolarHBondContact O-CD2 3.39Å; T176-H178 PolarHBondContact O-N 3.3Å
177L88.9Confident90.8Very high36 Ų3657.4 Ų57.419%0.18827%0.266CS..  trans-77116.6179.4-65.3-179.9000110.8Y173 L174 L179Y173-L177 HydrophobicContact CE1-CD2 3.95Å; Y173-L177 HydrophobicContact CE1-CG 4.46Å; L174-L177 HydrophobicContact CD2-CD1 3.63Å; L174-L177 WeakPolarHBondContact O-CB 3.13Å; L174-L177 PolarHBondContact O-N 3.15Å; L177-L179 PolarHBondContact O-N 3.28Å
178H85.9Confident90.5Very high69 Ų6952.6 Ų52.632%0.31924%0.243SC..  trans-97.273.5174.7-66.3-64.3000110.9T176 Q180 S181 A396T176-H178 PolarHBondContact O-CD2 3.39Å; T176-H178 PolarHBondContact O-N 3.3Å; H178-Q180 PolarHBondContact O-N 3.33Å; H178-Q180 VanDerWaalsContact O-N 3.07Å; H178-S181 WeakPolarHBondContact CB-OG 3.32Å; H178-S181 PolarHBondContact O-N 3.08Å; H178-S181 PolarHBondContact O-OG 3.18Å; H178-S181 VanDerWaalsContact O-OG 3.06Å; H178-A396 PolarHBondContact CD2-O 2.88Å; H178-A396 VanDerWaalsContact CD2-O 3.31Å; H178-A396 PolarHBondContact NE2-O 2.94Å; H178-A396 VanDerWaalsContact NE2-O 3.17Å
179L88.8Confident90.2Very high9 Ų945.2 Ų45.25%0.04721%0.214CC..G310 helixtrans-58.5-24.4-174.8-66.1-178.5000114.7P19 L21 M101 V103 Y132 V135 L177 S181P19-L179 HydrophobicContact CB-CB 4.46Å; L21-L179 HydrophobicContact CB-CD1 3.81Å; L21-L179 HydrophobicContact CD1-CD1 4.47Å; M101-L179 HydrophobicContact SD-CD2 4.36Å; V103-L179 HydrophobicContact CG1-CD1 4.19Å; V103-L179 HydrophobicContact CG2-CD1 4.13Å; Y132-L179 HydrophobicContact CD1-CD2 4.28Å; Y132-L179 HydrophobicContact CE1-CB 4.18Å; Y132-L179 HydrophobicContact CE1-CD2 4.06Å; Y132-L179 PolarHBondContact OH-O 2.91Å; V135-L179 HydrophobicContact CG1-CD2 4.26Å; L177-L179 PolarHBondContact O-N 3.28Å; L179-S181 VanDerWaalsContact C-N 3.3Å
180Q84.4Confident90Very high110 Ų11044.1 Ų44.151%0.51421%0.211SC..G310 helixtrans-75.9-17.4178.269.3-171.89.300113.8T18 H178T18-Q180 HydrophobicContact CG2-CB 4.22Å; T18-Q180 PolarHBondContact OG1-OE1 3.31Å; T18-Q180 VanDerWaalsContact OG1-OE1 3.09Å; H178-Q180 PolarHBondContact O-N 3.33Å; H178-Q180 VanDerWaalsContact O-N 3.07Å
181S82.8Confident89.8Confident23 Ų2344.3 Ų44.316%0.16121%0.212CC..G310 helixtrans-111.315.5-178.868.30000112.2H178 L179H178-S181 WeakPolarHBondContact CB-OG 3.32Å; H178-S181 PolarHBondContact O-N 3.08Å; H178-S181 PolarHBondContact O-OG 3.18Å; H178-S181 VanDerWaalsContact O-OG 3.06Å; L179-S181 VanDerWaalsContact C-N 3.3Å
182C86.9Confident89.9Confident29 Ų2938.9 Ų38.920%0.19619%0.194CC..  trans-79.8133.1177-69.20000110.4V131 Y132 V135 D186V131-C182 HydrophobicContact CG1-CB 3.73Å; Y132-C182 HydrophobicContact CE1-CB 4.39Å; V135-C182 HydrophobicContact CG2-CB 4.1Å; C182-D186 VanDerWaalsContact CA-OD2 3.24Å; C182-D186 WeakPolarHBondContact CA-OD2 3.08Å
183D87.4Confident89.8Confident6 Ų633.5 Ų33.53%0.03218%0.176CC..  trans-147.9-167.5-175.561.645.6000112.1V131 L185 D186 H391 M408V131-D183 WeakPolarHBondContact CG1-O 3.19Å; D183-L185 PolarHBondContact O-N 3.41Å; D183-L185 VanDerWaalsContact OD1-CB 3.31Å; D183-L185 WeakPolarHBondContact OD1-CB 3.42Å; D183-L185 PolarHBondContact OD1-N 2.8Å; D183-D186 PolarHBondContact N-OD2 3Å; D183-D186 WeakPolarHBondContact O-CB 3.12Å; D183-D186 PolarHBondContact O-N 3.07Å; D183-H391 IonicContact OD1-NE2 3.92Å; D183-H391 PolarHBondContact OD1-NE2 3.34Å; D183-H391 IonicContact OD2-CD2 2.73Å; D183-H391 PolarHBondContact OD2-CD2 3Å; D183-H391 IonicContact OD2-NE2 3.04Å; D183-H391 PolarHBondContact OD2-NE2 3.33Å; D183-M408 HydrophobicContact CB-CE 3.9Å; D183-M408 HydrophobicContact CB-CG 4.37Å; D183-M408 HydrophobicContact CB-SD 4Å
184L89.1Confident89.6Confident0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-59.9-26.7-177.2-170.563.1000113.5D186 V187 F188 I377 M408 L411 N415 Y448L184-D186 PolarHBondContact O-N 3.41Å; L184-V187 HydrophobicContact CD1-CB 4.24Å; L184-V187 HydrophobicContact CD1-CG2 4.15Å; L184-V187 VanDerWaalsContact O-CB 3.29Å; L184-V187 WeakPolarHBondContact O-CB 3.43Å; L184-V187 PolarHBondContact O-N 2.76Å; L184-V187 VanDerWaalsContact O-N 3.07Å; L184-F188 HydrophobicContact CD1-CE1 4.47Å; L184-F188 HydrophobicContact CD1-CE2 4.28Å; L184-F188 HydrophobicContact CD1-CZ 3.92Å; L184-F188 HydrophobicContact CD2-CE2 3.69Å; L184-F188 HydrophobicContact CD2-CZ 3.73Å; L184-F188 HydrophobicContact CG-CD2 4.25Å; L184-F188 HydrophobicContact CG-CE1 4.5Å; L184-F188 HydrophobicContact CG-CE2 3.48Å; L184-F188 VanDerWaalsContact CG-CE2 3.48Å; L184-F188 HydrophobicContact CG-CZ 3.6Å; L184-F188 WeakPolarHBondContact O-CD2 3.43Å; L184-F188 PolarHBondContact O-N 2.8Å; L184-F188 VanDerWaalsContact O-N 3.15Å; L184-I377 HydrophobicContact CB-CD1 4.38Å; L184-I377 HydrophobicContact CD2-CD1 4.16Å; L184-M408 HydrophobicContact CB-SD 4.49Å; L184-L411 HydrophobicContact CD2-CB 4.24Å; L184-N415 HydrophobicContact CD1-CB 3.53Å; L184-N415 VanDerWaalsContact CD1-CG 3.46Å; L184-Y448 HydrophobicContact CD2-CD1 4.15Å; L184-Y448 HydrophobicContact CD2-CD2 4.11Å; L184-Y448 HydrophobicContact CD2-CE1 3.96Å; L184-Y448 HydrophobicContact CD2-CE2 3.98Å; L184-Y448 HydrophobicContact CD2-CG 4.22Å
185L89.8Confident89.2Confident8 Ų837.2 Ų37.24%0.04220%0.202CC..Hα-helixtrans-67.9-25174.9-60.2-168.6000112.6D183 V187 F188 G189 I377 E386 H391D183-L185 PolarHBondContact O-N 3.41Å; D183-L185 VanDerWaalsContact OD1-CB 3.31Å; D183-L185 WeakPolarHBondContact OD1-CB 3.42Å; D183-L185 PolarHBondContact OD1-N 2.8Å; L185-V187 VanDerWaalsContact C-N 3.27Å; L185-F188 HydrophobicContact CD2-CD2 4.16Å; L185-F188 PolarHBondContact O-N 3.19Å; L185-G189 WeakPolarHBondContact O-CA 3.26Å; L185-G189 PolarHBondContact O-N 3.17Å; L185-I377 HydrophobicContact CD2-CD1 4.42Å; L185-I377 HydrophobicContact CD2-CG1 4.39Å; L185-I377 HydrophobicContact CD2-CG2 3.63Å; L185-E386 HydrophobicContact CD2-CG 4.03Å; L185-H391 HydrophobicContact CD1-CB 4.31Å; L185-H391 VanDerWaalsContact CD1-CE1 3.45Å; L185-H391 WeakPolarHBondContact CD1-CE1 3.42Å; L185-H391 WeakPolarHBondContact CD1-ND1 3.49Å; L185-H391 VanDerWaalsContact CG-CE1 3.41Å; L185-H391 WeakPolarHBondContact CG-CE1 3.38Å
186D90.6Very high89Confident33 Ų3333.2 Ų33.218%0.17619%0.185CC..Hα-helixtrans-72.5-24.4172.7-67.7-58.8000112.1A134 V135 C182 D183 L184 K244A134-D186 WeakPolarHBondContact CB-O 3.38Å; V135-D186 HydrophobicContact CG2-CB 4.31Å; C182-D186 VanDerWaalsContact CA-OD2 3.24Å; C182-D186 WeakPolarHBondContact CA-OD2 3.08Å; D183-D186 PolarHBondContact N-OD2 3Å; D183-D186 WeakPolarHBondContact O-CB 3.12Å; D183-D186 PolarHBondContact O-N 3.07Å; L184-D186 PolarHBondContact O-N 3.41Å; D186-K244 IonicContact OD1-NZ 3.63Å; D186-K244 PolarHBondContact OD1-NZ 2.87Å
187V91.1Very high88.9Confident37 Ų3733.7 Ų33.722%0.22419%0.185CC..Hα-helixtrans-69.1-50.4169.7-174.80000109.8V131 A134 L184 L185V131-V187 HydrophobicContact CB-CG2 4.3Å; V131-V187 HydrophobicContact CG2-CG2 3.82Å; A134-V187 HydrophobicContact CB-CB 4.5Å; A134-V187 HydrophobicContact CB-CG2 4.36Å; L184-V187 HydrophobicContact CD1-CB 4.24Å; L184-V187 HydrophobicContact CD1-CG2 4.15Å; L184-V187 VanDerWaalsContact O-CB 3.29Å; L184-V187 WeakPolarHBondContact O-CB 3.43Å; L184-V187 PolarHBondContact O-N 2.76Å; L184-V187 VanDerWaalsContact O-N 3.07Å; L185-V187 VanDerWaalsContact C-N 3.27Å
188F91.6Very high89Confident5 Ų540.5 Ų40.52%0.02221%0.213CC..Hα-helixtrans-69.2-35.4-178.2-63.1-35.9000113.6L184 L185 G190 R240 I377 F379 E446 Y448L184-F188 HydrophobicContact CD1-CE1 4.47Å; L184-F188 HydrophobicContact CD1-CE2 4.28Å; L184-F188 HydrophobicContact CD1-CZ 3.92Å; L184-F188 HydrophobicContact CD2-CE2 3.69Å; L184-F188 HydrophobicContact CD2-CZ 3.73Å; L184-F188 HydrophobicContact CG-CD2 4.25Å; L184-F188 HydrophobicContact CG-CE1 4.5Å; L184-F188 HydrophobicContact CG-CE2 3.48Å; L184-F188 VanDerWaalsContact CG-CE2 3.48Å; L184-F188 HydrophobicContact CG-CZ 3.6Å; L184-F188 WeakPolarHBondContact O-CD2 3.43Å; L184-F188 PolarHBondContact O-N 2.8Å; L184-F188 VanDerWaalsContact O-N 3.15Å; L185-F188 HydrophobicContact CD2-CD2 4.16Å; L185-F188 PolarHBondContact O-N 3.19Å; F188-G190 PolarHBondContact O-N 3.1Å; F188-G190 VanDerWaalsContact O-N 3.15Å; F188-R240 PolarHBondContact O-NH1 3.25Å; F188-R240 PolarHBondContact O-NH2 3.04Å; F188-I377 HydrophobicContact CD2-CG2 4.03Å; F188-I377 HydrophobicContact CE2-CG2 3.65Å; F188-F379 HydrophobicContact CB-CB 4.41Å; F188-F379 HydrophobicContact CB-CD1 4.11Å; F188-F379 HydrophobicContact CB-CD2 3.63Å; F188-F379 HydrophobicContact CB-CE1 4.27Å; F188-F379 HydrophobicContact CB-CE2 3.83Å; F188-F379 HydrophobicContact CB-CG 3.78Å; F188-F379 HydrophobicContact CB-CZ 4.14Å; F188-F379 HydrophobicContact CD1-CB 3.99Å; F188-F379 AromaticContact CD1-CD1 3.48Å; F188-F379 HydrophobicContact CD1-CD1 3.48Å; F188-F379 VanDerWaalsContact CD1-CD1 3.48Å; F188-F379 HydrophobicContact CD1-CD2 4.44Å; F188-F379 HydrophobicContact CD1-CE1 4.03Å; F188-F379 AromaticContact CD1-CG 3.7Å; F188-F379 HydrophobicContact CD1-CG 3.7Å; F188-F379 HydrophobicContact CD2-CB 3.87Å; F188-F379 HydrophobicContact CD2-CG 4.15Å; F188-F379 HydrophobicContact CE1-CB 4.27Å; F188-F379 HydrophobicContact CE1-CD1 4.13Å; F188-F379 HydrophobicContact CE1-CG 4.39Å; F188-F379 HydrophobicContact CE2-CB 4.12Å; F188-F379 HydrophobicContact CG-CB 3.82Å; F188-F379 AromaticContact CG-CD1 3.87Å; F188-F379 HydrophobicContact CG-CD1 3.87Å; F188-F379 AromaticContact CG-CD2 3.98Å; F188-F379 HydrophobicContact CG-CD2 3.98Å; F188-F379 HydrophobicContact CG-CE1 4.42Å; F188-F379 AromaticContact CG-CG 3.6Å; F188-F379 HydrophobicContact CG-CG 3.6Å; F188-F379 HydrophobicContact CZ-CB 4.35Å; F188-F379 WeakPolarHBondContact O-CZ 3.2Å; F188-E446 VanDerWaalsContact CE1-OE2 3.31Å; F188-E446 WeakPolarHBondContact CE1-OE2 3.31Å; F188-Y448 HydrophobicContact CE1-CE2 4.45Å; F188-Y448 HydrophobicContact CE2-CD2 4.46Å; F188-Y448 HydrophobicContact CE2-CE2 4.02Å; F188-Y448 HydrophobicContact CZ-CD2 4.29Å; F188-Y448 AromaticContact CZ-CE2 3.43Å; F188-Y448 HydrophobicContact CZ-CE2 3.43Å; F188-Y448 VanDerWaalsContact CZ-CE2 3.43Å; F188-Y448 AromaticContact CZ-CZ 3.93Å
189G89.4Confident89.2Confident11 Ų1143.5 Ų43.511%0.11323%0.229CC..  trans43.942.7-174.900000112.5L185 R240L185-G189 WeakPolarHBondContact O-CA 3.26Å; L185-G189 PolarHBondContact O-N 3.17Å; G189-R240 VanDerWaalsContact CA-NH2 3.29Å; G189-R240 WeakPolarHBondContact O-CD 3.21Å; G189-R240 WeakPolarHBondContact O-CG 3.42Å; G189-R240 VanDerWaalsContact O-CZ 3.28Å; G189-R240 PolarHBondContact O-NE 3.08Å
190G92.3Very high89.4Confident6 Ų643 Ų436%0.06223%0.227CC..  trans-81.7176.4-169.400000114.2F188 L384 E386F188-G190 PolarHBondContact O-N 3.1Å; F188-G190 VanDerWaalsContact O-N 3.15Å; G190-L384 CarbonylContact C-O 3.49Å; G190-L384 VanDerWaalsContact CA-O 3.28Å; G190-L384 WeakPolarHBondContact CA-O 3.13Å; G190-E386 PolarHBondContact N-OE2 2.77Å
191I94.1Very high89.8Confident4 Ų441.9 Ų41.92%0.02122%0.218CC..BIsolated β-bridgetrans-110.6127.5179.5-60.1175.3000108.2F193 L229 M239 R240 Y243 L384 A385 E386I191-F193 HydrophobicContact CB-CD2 4.41Å; I191-F193 HydrophobicContact CB-CE2 3.82Å; I191-F193 HydrophobicContact CB-CZ 4.06Å; I191-F193 HydrophobicContact CG2-CD1 4.46Å; I191-F193 HydrophobicContact CG2-CD2 4.2Å; I191-F193 HydrophobicContact CG2-CE1 4.16Å; I191-F193 HydrophobicContact CG2-CE2 3.88Å; I191-F193 HydrophobicContact CG2-CG 4.49Å; I191-F193 HydrophobicContact CG2-CZ 3.86Å; I191-F193 WeakPolarHBondContact O-CD2 3.48Å; I191-F193 PolarHBondContact O-N 3.41Å; I191-L229 HydrophobicContact CD1-CD2 4.26Å; I191-L229 HydrophobicContact CG2-CB 3.55Å; I191-L229 HydrophobicContact CG2-CD2 3.7Å; I191-L229 HydrophobicContact CG2-CG 4.28Å; I191-M239 HydrophobicContact CD1-CG 4.25Å; I191-R240 HydrophobicContact CD1-CB 4.48Å; I191-Y243 HydrophobicContact CB-CD1 4.35Å; I191-Y243 HydrophobicContact CB-CE1 4.48Å; I191-Y243 HydrophobicContact CG1-CD1 4.08Å; I191-Y243 HydrophobicContact CG1-CG 4.22Å; I191-Y243 HydrophobicContact CG2-CD1 4.32Å; I191-Y243 HydrophobicContact CG2-CD2 4.19Å; I191-Y243 HydrophobicContact CG2-CE1 4.34Å; I191-Y243 HydrophobicContact CG2-CE2 4.19Å; I191-Y243 HydrophobicContact CG2-CG 4.25Å; I191-L384 HydrophobicContact CD1-CD1 4.46Å; I191-L384 HydrophobicContact CG1-CB 4.47Å; I191-L384 PolarHBondContact N-O 2.81Å; I191-A385 WeakPolarHBondContact O-CA 3.12Å; I191-E386 PolarHBondContact O-N 2.84Å
192S92.8Very high90.4Very high20 Ų2045.4 Ų45.414%0.1424%0.235CC..  trans-84.5115.3170.7-51.80000108.7Q228 L229 Y243S192-Q228 CarbonylContact O-C 3.39Å; S192-Q228 VanDerWaalsContact O-CA 3.23Å; S192-Q228 WeakPolarHBondContact O-CA 3.49Å; S192-Q228 WeakPolarHBondContact O-CB 3.4Å; S192-L229 PolarHBondContact O-N 3.21Å; S192-Y243 VanDerWaalsContact CB-OH 3.29Å; S192-Y243 WeakPolarHBondContact CB-OH 3.43Å; S192-Y243 PolarHBondContact N-OH 2.8Å
193F91.5Very high90.8Very high77 Ų7748.4 Ų48.434%0.33825%0.245SC..BIsolated β-bridgetrans-90.6136.5178.1-67.9-88.5000111.3I191 P195 L229 N383 A385I191-F193 HydrophobicContact CB-CD2 4.41Å; I191-F193 HydrophobicContact CB-CE2 3.82Å; I191-F193 HydrophobicContact CB-CZ 4.06Å; I191-F193 HydrophobicContact CG2-CD1 4.46Å; I191-F193 HydrophobicContact CG2-CD2 4.2Å; I191-F193 HydrophobicContact CG2-CE1 4.16Å; I191-F193 HydrophobicContact CG2-CE2 3.88Å; I191-F193 HydrophobicContact CG2-CG 4.49Å; I191-F193 HydrophobicContact CG2-CZ 3.86Å; I191-F193 WeakPolarHBondContact O-CD2 3.48Å; I191-F193 PolarHBondContact O-N 3.41Å; F193-P195 WeakPolarHBondContact O-CD 2.97Å; F193-L229 CarbonylContact C-O 3.5Å; F193-L229 VanDerWaalsContact CA-O 3.27Å; F193-L229 WeakPolarHBondContact CA-O 3.35Å; F193-L229 HydrophobicContact CD1-CB 4.25Å; F193-L229 HydrophobicContact CD1-CD2 4.44Å; F193-L229 HydrophobicContact CE1-CB 4.42Å; F193-L229 HydrophobicContact CE1-CD2 3.82Å; F193-L229 HydrophobicContact CE1-CG 4.36Å; F193-L229 HydrophobicContact CZ-CD2 4.4Å; F193-N383 WeakPolarHBondContact CE2-O 3.41Å; F193-N383 WeakPolarHBondContact CZ-O 3.49Å; F193-A385 HydrophobicContact CD2-CB 3.67Å; F193-A385 HydrophobicContact CE2-CB 3.82Å
194F90.1Very high91.2Very high16 Ų1648.2 Ų48.27%0.0724%0.243CC..PPolyproline II helixtrans-84.6119.2174.9-165.4-87.1000109.6L196 Y225 Q228 L229 I230 I355 F359F194-L196 HydrophobicContact CD1-CD2 3.59Å; F194-L196 HydrophobicContact CD1-CG 3.89Å; F194-L196 HydrophobicContact CE1-CD2 3.57Å; F194-L196 HydrophobicContact CE1-CG 4.37Å; F194-L196 PolarHBondContact O-N 2.88Å; F194-Y225 AromaticContact CD2-CD1 3.85Å; F194-Y225 HydrophobicContact CD2-CD1 3.85Å; F194-Y225 HydrophobicContact CE1-CD1 4.25Å; F194-Y225 AromaticContact CE2-CD1 3.49Å; F194-Y225 HydrophobicContact CE2-CD1 3.49Å; F194-Y225 VanDerWaalsContact CE2-CD1 3.49Å; F194-Y225 AromaticContact CE2-CE1 3.93Å; F194-Y225 HydrophobicContact CE2-CE1 3.93Å; F194-Y225 HydrophobicContact CG-CD1 4.42Å; F194-Y225 AromaticContact CZ-CD1 3.7Å; F194-Y225 HydrophobicContact CZ-CD1 3.7Å; F194-Y225 AromaticContact CZ-CE1 3.91Å; F194-Y225 HydrophobicContact CZ-CE1 3.91Å; F194-Q228 HydrophobicContact CB-CB 3.78Å; F194-Q228 HydrophobicContact CD2-CB 4.22Å; F194-L229 PolarHBondContact N-O 2.97Å; F194-I230 HydrophobicContact CB-CD1 4.2Å; F194-I230 HydrophobicContact CB-CG1 3.66Å; F194-I230 HydrophobicContact CD1-CD1 4.4Å; F194-I230 HydrophobicContact CG-CD1 4.48Å; F194-I230 HydrophobicContact CG-CG1 4.41Å; F194-I355 HydrophobicContact CE1-CG2 3.71Å; F194-I355 HydrophobicContact CZ-CG2 4Å; F194-F359 HydrophobicContact CE2-CD2 4.22Å; F194-F359 HydrophobicContact CE2-CE2 4.36Å; F194-F359 HydrophobicContact CZ-CB 4.42Å; F194-F359 AromaticContact CZ-CD2 3.62Å; F194-F359 HydrophobicContact CZ-CD2 3.62Å; F194-F359 HydrophobicContact CZ-CE2 4.18Å; F194-F359 HydrophobicContact CZ-CG 4.2Å
195P86.2Confident91.5Very high100 Ų10051 Ų5165%0.64926%0.256SS*.PPolyproline II helixtrans-72.7129.4178.929.5-33000110.8F193F193-P195 WeakPolarHBondContact O-CD 2.97Å
196L86.9Confident91.8Very high45 Ų4554.1 Ų54.124%0.23628%0.279CS..  trans-126.7153.8175.6-68.4176.9000111.3F194 T200 I204 I230 I355F194-L196 HydrophobicContact CD1-CD2 3.59Å; F194-L196 HydrophobicContact CD1-CG 3.89Å; F194-L196 HydrophobicContact CE1-CD2 3.57Å; F194-L196 HydrophobicContact CE1-CG 4.37Å; F194-L196 PolarHBondContact O-N 2.88Å; L196-T200 HydrophobicContact CD1-CG2 4.25Å; L196-T200 HydrophobicContact CD2-CG2 3.96Å; L196-I204 HydrophobicContact CD1-CD1 3.4Å; L196-I230 HydrophobicContact CD1-CB 4.46Å; L196-I230 HydrophobicContact CD1-CD1 3.93Å; L196-I230 HydrophobicContact CD1-CG1 4.04Å; L196-I230 HydrophobicContact CD1-CG2 3.56Å; L196-I355 HydrophobicContact CD2-CG1 4.4Å; L196-I355 HydrophobicContact CD2-CG2 4.16Å
197D87.3Confident92.1Very high63 Ų6352.9 Ų52.934%0.33727%0.272SS..  trans-71.5161.5164.173.6-78.9000110.7M199 T200 Y201 Q358D197-M199 VanDerWaalsContact C-N 3.28Å; D197-M199 PolarHBondContact O-N 3.04Å; D197-M199 WeakPolarHBondContact OD2-CB 3.36Å; D197-M199 PolarHBondContact OD2-N 3.11Å; D197-T200 PolarHBondContact O-N 3.4Å; D197-T200 WeakPolarHBondContact OD1-CB 3.44Å; D197-T200 PolarHBondContact OD1-OG1 3.08Å; D197-T200 PolarHBondContact OD2-N 3.12Å; D197-Y201 WeakPolarHBondContact O-CB 3.49Å; D197-Y201 PolarHBondContact O-N 3.34Å; D197-Q358 PolarHBondContact OD1-OE1 3.06Å
198K89.6Confident92.4Very high180 Ų18051.1 Ų51.178%0.78326%0.261SS*.Hα-helixtrans-58.5-37.9-174.9-64.6-178.4179.8-179.70112.8L202K198-L202 VanDerWaalsContact O-CG 3.27Å; K198-L202 WeakPolarHBondContact O-CG 3.24Å; K198-L202 PolarHBondContact O-N 3.32Å; K198-L202 VanDerWaalsContact O-N 3.07Å
199M91.4Very high92.6Very high131 Ų13154.7 Ų54.765%0.64528%0.281SS*.Hα-helixtrans-71.8-43.5-175-67.9-62.6-64.600111.1D197 L202 K203D197-M199 VanDerWaalsContact C-N 3.28Å; D197-M199 PolarHBondContact O-N 3.04Å; D197-M199 WeakPolarHBondContact OD2-CB 3.36Å; D197-M199 PolarHBondContact OD2-N 3.11Å; M199-L202 PolarHBondContact O-N 3.23Å; M199-K203 WeakPolarHBondContact O-CG 3.32Å; M199-K203 PolarHBondContact O-N 2.86Å
200T91.7Very high93Very high0 Ų060.4 Ų60.40%030%0.299CS..Hα-helixtrans-67.9-38.8178.5-56.30000111.9L196 D197 L202 K203 I204 I355 Q358L196-T200 HydrophobicContact CD1-CG2 4.25Å; L196-T200 HydrophobicContact CD2-CG2 3.96Å; D197-T200 PolarHBondContact O-N 3.4Å; D197-T200 WeakPolarHBondContact OD1-CB 3.44Å; D197-T200 PolarHBondContact OD1-OG1 3.08Å; D197-T200 PolarHBondContact OD2-N 3.12Å; T200-L202 PolarHBondContact O-N 2.97Å; T200-K203 WeakPolarHBondContact O-CB 3.48Å; T200-K203 PolarHBondContact O-N 2.87Å; T200-I204 HydrophobicContact CG2-CD1 4.48Å; T200-I204 WeakPolarHBondContact O-CG1 3.27Å; T200-I204 PolarHBondContact O-N 2.91Å; T200-I204 VanDerWaalsContact O-N 3.09Å; T200-I355 HydrophobicContact CG2-CG1 3.78Å; T200-Q358 PolarHBondContact OG1-NE2 2.9Å; T200-Q358 PolarHBondContact OG1-OE1 3.34Å
201Y93.5Very high93.2Very high85 Ų8560.1 Ų60.133%0.33330%0.296SS..Hα-helixtrans-58.9-46.2172.5-175.9-95.7000112D197 K203 I204 Q205 I230 W231D197-Y201 WeakPolarHBondContact O-CB 3.49Å; D197-Y201 PolarHBondContact O-N 3.34Å; Y201-K203 VanDerWaalsContact C-N 3.34Å; Y201-K203 PolarHBondContact O-N 2.92Å; Y201-I204 PolarHBondContact O-N 3.36Å; Y201-I204 VanDerWaalsContact O-N 3.15Å; Y201-Q205 PolarHBondContact O-N 3.14Å; Y201-I230 HydrophobicContact CD2-CG2 4.18Å; Y201-I230 HydrophobicContact CE2-CG2 4.4Å; Y201-W231 HydrophobicContact CE2-CE3 4.34Å; Y201-W231 AromaticContact CZ-CE3 3.81Å; Y201-W231 WeakPolarHBondContact OH-CZ3 3.41Å
202L95.1Very high93.3Very high98 Ų9862.6 Ų62.651%0.51331%0.307SS..Hα-helixtrans-64.3-35177-72.6172.1000113K198 M199 T200 I204 Q205 S206K198-L202 VanDerWaalsContact O-CG 3.27Å; K198-L202 WeakPolarHBondContact O-CG 3.24Å; K198-L202 PolarHBondContact O-N 3.32Å; K198-L202 VanDerWaalsContact O-N 3.07Å; M199-L202 PolarHBondContact O-N 3.23Å; T200-L202 PolarHBondContact O-N 2.97Å; L202-I204 VanDerWaalsContact C-N 3.33Å; L202-Q205 PolarHBondContact O-N 3.5Å; L202-S206 WeakPolarHBondContact O-CB 3.33Å; L202-S206 PolarHBondContact O-N 3.02Å
203K95.3Very high93.4Very high92 Ų9269.6 Ų69.640%0.434%0.338SS..Hα-helixtrans-60.6-43.1172.3-74.5177.7172.2-176.90111.5M199 T200 Y201 S206 F207 L351 D354M199-K203 WeakPolarHBondContact O-CG 3.32Å; M199-K203 PolarHBondContact O-N 2.86Å; T200-K203 WeakPolarHBondContact O-CB 3.48Å; T200-K203 PolarHBondContact O-N 2.87Å; Y201-K203 VanDerWaalsContact C-N 3.34Å; Y201-K203 PolarHBondContact O-N 2.92Å; K203-S206 PolarHBondContact O-N 3.35Å; K203-F207 PolarHBondContact O-N 3.21Å; K203-L351 HydrophobicContact CB-CD2 3.97Å; K203-D354 IonicContact NZ-OD2 3.77Å; K203-D354 PolarHBondContact NZ-OD2 3.43Å
204I95.6Very high93.6Very high1 Ų169.1 Ų69.11%0.00534%0.344CS..Hα-helixtrans-66.8-44.3178-65.8168.2000110.4L196 T200 Y201 L202 S206 F207 V208 F223 I230 L351 I355L196-I204 HydrophobicContact CD1-CD1 3.4Å; T200-I204 HydrophobicContact CG2-CD1 4.48Å; T200-I204 WeakPolarHBondContact O-CG1 3.27Å; T200-I204 PolarHBondContact O-N 2.91Å; T200-I204 VanDerWaalsContact O-N 3.09Å; Y201-I204 PolarHBondContact O-N 3.36Å; Y201-I204 VanDerWaalsContact O-N 3.15Å; L202-I204 VanDerWaalsContact C-N 3.33Å; I204-S206 VanDerWaalsContact C-N 3.31Å; I204-S206 PolarHBondContact O-N 3.45Å; I204-F207 WeakPolarHBondContact O-CB 3.32Å; I204-F207 PolarHBondContact O-N 2.88Å; I204-F207 VanDerWaalsContact O-N 3.11Å; I204-V208 WeakPolarHBondContact O-CG2 3.42Å; I204-V208 PolarHBondContact O-N 3.18Å; I204-F223 HydrophobicContact CD1-CD1 4.37Å; I204-F223 HydrophobicContact CD1-CE1 4.09Å; I204-F223 HydrophobicContact CG1-CE1 4.48Å; I204-F223 HydrophobicContact CG1-CZ 4.45Å; I204-F223 HydrophobicContact CG2-CB 4.12Å; I204-F223 HydrophobicContact CG2-CD1 4.06Å; I204-F223 HydrophobicContact CG2-CD2 3.9Å; I204-F223 HydrophobicContact CG2-CE1 4.47Å; I204-F223 HydrophobicContact CG2-CE2 4.29Å; I204-F223 HydrophobicContact CG2-CG 3.76Å; I204-I230 HydrophobicContact CD1-CD1 4.06Å; I204-I230 HydrophobicContact CD1-CG2 3.78Å; I204-I230 HydrophobicContact CG2-CG2 4.29Å; I204-L351 HydrophobicContact CG1-CD1 4.48Å; I204-L351 HydrophobicContact CG1-CD2 4.3Å; I204-I355 HydrophobicContact CD1-CD1 3.9Å
205Q95.3Very high93.9Very high59 Ų5969 Ų6928%0.27634%0.344SS..Hα-helixtrans-61.2-41.5175.8-169.2179.6-700111.5Y201 L202 F207 V208 N209Y201-Q205 PolarHBondContact O-N 3.14Å; L202-Q205 PolarHBondContact O-N 3.5Å; Q205-F207 VanDerWaalsContact C-N 3.3Å; Q205-F207 PolarHBondContact O-N 3.26Å; Q205-V208 PolarHBondContact O-N 3.2Å; Q205-N209 WeakPolarHBondContact O-CB 3.42Å; Q205-N209 PolarHBondContact O-N 3.28Å; Q205-N209 PolarHBondContact O-OD1 3.5Å
206S96.8Very high94.2Very high74 Ų7469.5 Ų69.552%0.51735%0.35SS..Hα-helixtrans-62.5-36.9174-177.40000112.4L202 K203 I204 R210L202-S206 WeakPolarHBondContact O-CB 3.33Å; L202-S206 PolarHBondContact O-N 3.02Å; K203-S206 PolarHBondContact O-N 3.35Å; I204-S206 VanDerWaalsContact C-N 3.31Å; I204-S206 PolarHBondContact O-N 3.45Å; S206-R210 VanDerWaalsContact O-CB 3.27Å; S206-R210 WeakPolarHBondContact O-CB 3.34Å; S206-R210 PolarHBondContact O-N 2.71Å
207F97.1Very high94.6Very high7 Ų770.7 Ų70.73%0.03136%0.356CS..Hα-helixtrans-64.4-48.5173.6160.2-94.4000111.3K203 I204 Q205 N209 R210 V211 F223 V344 Q347 L351K203-F207 PolarHBondContact O-N 3.21Å; I204-F207 WeakPolarHBondContact O-CB 3.32Å; I204-F207 PolarHBondContact O-N 2.88Å; I204-F207 VanDerWaalsContact O-N 3.11Å; Q205-F207 VanDerWaalsContact C-N 3.3Å; Q205-F207 PolarHBondContact O-N 3.26Å; F207-N209 PolarHBondContact O-N 3.17Å; F207-R210 PolarHBondContact O-N 3.04Å; F207-V211 HydrophobicContact CD2-CG2 4.12Å; F207-V211 HydrophobicContact CE1-CG2 4.41Å; F207-V211 HydrophobicContact CE2-CG2 3.7Å; F207-V211 HydrophobicContact CZ-CG2 3.85Å; F207-V211 WeakPolarHBondContact O-CG2 3.19Å; F207-V211 PolarHBondContact O-N 3.27Å; F207-F223 HydrophobicContact CD1-CD2 4.14Å; F207-F223 HydrophobicContact CD1-CE2 4.14Å; F207-F223 AromaticContact CE1-CD2 3.96Å; F207-F223 HydrophobicContact CE1-CD2 3.96Å; F207-F223 HydrophobicContact CE1-CE2 4.01Å; F207-V344 HydrophobicContact CE2-CG1 4.39Å; F207-V344 HydrophobicContact CZ-CG1 3.99Å; F207-V344 HydrophobicContact CZ-CG2 4.48Å; F207-Q347 HydrophobicContact CD2-CB 3.79Å; F207-Q347 HydrophobicContact CE2-CB 3.9Å; F207-L351 HydrophobicContact CB-CD1 3.65Å; F207-L351 HydrophobicContact CD1-CD1 4.01Å; F207-L351 HydrophobicContact CD2-CD1 3.98Å; F207-L351 HydrophobicContact CG-CD1 3.59Å
208V97.2Very high95.1Very high0 Ų068.2 Ų68.20%034%0.343CS..Hα-helixtrans-57.8-52.1177.8172.40000110.5I204 Q205 R210 V211 E212 T221 W231I204-V208 WeakPolarHBondContact O-CG2 3.42Å; I204-V208 PolarHBondContact O-N 3.18Å; Q205-V208 PolarHBondContact O-N 3.2Å; V208-R210 VanDerWaalsContact C-N 3.29Å; V208-R210 PolarHBondContact O-N 3.49Å; V208-V211 PolarHBondContact O-N 2.91Å; V208-V211 VanDerWaalsContact O-N 3.1Å; V208-E212 HydrophobicContact CG1-CG 4.37Å; V208-E212 WeakPolarHBondContact O-CG 3.23Å; V208-E212 PolarHBondContact O-N 3.32Å; V208-T221 HydrophobicContact CG1-CG2 4.07Å; V208-T221 HydrophobicContact CG2-CG2 4.02Å; V208-W231 HydrophobicContact CG2-CG 4.48Å
209N96.2Very high95.3Very high79 Ų7964.3 Ų64.342%0.42233%0.326SS..Hα-helixtrans-57.3-43.2179.5-67.1-7.3000111.8Q205 F207 V211 E212 E213Q205-N209 WeakPolarHBondContact O-CB 3.42Å; Q205-N209 PolarHBondContact O-N 3.28Å; Q205-N209 PolarHBondContact O-OD1 3.5Å; F207-N209 PolarHBondContact O-N 3.17Å; N209-V211 VanDerWaalsContact C-N 3.34Å; N209-V211 PolarHBondContact O-N 3.08Å; N209-E212 PolarHBondContact O-N 2.95Å; N209-E213 VanDerWaalsContact O-CB 3.25Å; N209-E213 WeakPolarHBondContact O-CB 3.49Å; N209-E213 PolarHBondContact O-N 3.07Å
210R96.6Very high95.6Very high131 Ų13160.3 Ų60.349%0.49430%0.304SS..Hα-helixtrans-64.7-39.6179-177.6178.6-177.2175.14.2112S206 F207 V208 S214 Q347S206-R210 VanDerWaalsContact O-CB 3.27Å; S206-R210 WeakPolarHBondContact O-CB 3.34Å; S206-R210 PolarHBondContact O-N 2.71Å; F207-R210 PolarHBondContact O-N 3.04Å; V208-R210 VanDerWaalsContact C-N 3.29Å; V208-R210 PolarHBondContact O-N 3.49Å; R210-S214 VanDerWaalsContact O-CB 3.23Å; R210-S214 WeakPolarHBondContact O-CB 3.35Å; R210-S214 PolarHBondContact O-N 3.41Å; R210-S214 PolarHBondContact O-OG 2.97Å; R210-Q347 VanDerWaalsContact CZ-NE2 3.35Å; R210-Q347 VanDerWaalsContact NH1-NE2 3.16Å
211V96.5Very high95.9Very high0 Ų060.3 Ų60.30%030%0.304CS..Hα-helixtrans-67.8-47.1178.7170.30000110.5F207 V208 N209 E213 S214 L215 I218 F324 L343 V344F207-V211 HydrophobicContact CD2-CG2 4.12Å; F207-V211 HydrophobicContact CE1-CG2 4.41Å; F207-V211 HydrophobicContact CE2-CG2 3.7Å; F207-V211 HydrophobicContact CZ-CG2 3.85Å; F207-V211 WeakPolarHBondContact O-CG2 3.19Å; F207-V211 PolarHBondContact O-N 3.27Å; V208-V211 PolarHBondContact O-N 2.91Å; V208-V211 VanDerWaalsContact O-N 3.1Å; N209-V211 VanDerWaalsContact C-N 3.34Å; N209-V211 PolarHBondContact O-N 3.08Å; V211-E213 VanDerWaalsContact C-N 3.33Å; V211-E213 PolarHBondContact O-N 3.41Å; V211-S214 PolarHBondContact O-N 3.35Å; V211-L215 HydrophobicContact CG1-CD1 4.29Å; V211-L215 WeakPolarHBondContact O-CB 3.39Å; V211-L215 PolarHBondContact O-N 2.92Å; V211-I218 HydrophobicContact CG1-CD1 3.57Å; V211-F324 HydrophobicContact CG1-CD1 4.23Å; V211-F324 HydrophobicContact CG1-CE1 3.64Å; V211-F324 HydrophobicContact CG1-CZ 4.24Å; V211-L343 HydrophobicContact CG2-CD2 4.23Å; V211-V344 HydrophobicContact CG1-CG2 4.29Å; V211-V344 HydrophobicContact CG2-CG2 4.01Å
212E96Very high96.1Very high57 Ų5756.3 Ų56.327%0.26629%0.288SS..Hα-helixtrans-64.2-36.1178.2-69.4178.1173.300112.2V208 N209 I218 T221V208-E212 HydrophobicContact CG1-CG 4.37Å; V208-E212 WeakPolarHBondContact O-CG 3.23Å; V208-E212 PolarHBondContact O-N 3.32Å; N209-E212 PolarHBondContact O-N 2.95Å; E212-I218 HydrophobicContact CG-CG2 4.12Å; E212-T221 WeakPolarHBondContact CG-OG1 3.36Å; E212-T221 WeakPolarHBondContact OE1-CB 3.5Å; E212-T221 PolarHBondContact OE1-N 3.15Å; E212-T221 PolarHBondContact OE1-OG1 3.14Å
213E96Very high96.2Very high166 Ų16651.6 Ų51.678%0.77626%0.264SS*.Hα-helixtrans-69.4-42.5173.9-176.5-180-157.500112.4N209 V211N209-E213 VanDerWaalsContact O-CB 3.25Å; N209-E213 WeakPolarHBondContact O-CB 3.49Å; N209-E213 PolarHBondContact O-N 3.07Å; V211-E213 VanDerWaalsContact C-N 3.33Å; V211-E213 PolarHBondContact O-N 3.41Å
214S96.4Very high96.4Very high68 Ų6847.3 Ų47.348%0.47625%0.245SC..Hα-helixtrans-77.4-28.8-176.2-56.30000112.9R210 V211R210-S214 VanDerWaalsContact O-CB 3.23Å; R210-S214 WeakPolarHBondContact O-CB 3.35Å; R210-S214 PolarHBondContact O-N 3.41Å; R210-S214 PolarHBondContact O-OG 2.97Å; V211-S214 PolarHBondContact O-N 3.35Å
215L95.2Very high96.3Very high12 Ų1247.5 Ų47.56%0.06325%0.246CC..  trans-12377.4-177.5-60.7176.6000109.1V211 L217 I218 F336 Q339 L340 L343V211-L215 HydrophobicContact CG1-CD1 4.29Å; V211-L215 WeakPolarHBondContact O-CB 3.39Å; V211-L215 PolarHBondContact O-N 2.92Å; L215-L217 PolarHBondContact O-N 3.01Å; L215-I218 HydrophobicContact CB-CD1 3.72Å; L215-I218 HydrophobicContact CB-CG1 4.07Å; L215-I218 HydrophobicContact CD1-CD1 3.77Å; L215-I218 HydrophobicContact CG-CD1 4.39Å; L215-I218 WeakPolarHBondContact O-CB 3.46Å; L215-I218 PolarHBondContact O-N 2.88Å; L215-F336 HydrophobicContact CB-CE2 4.3Å; L215-F336 HydrophobicContact CD1-CE2 4.47Å; L215-F336 HydrophobicContact CD2-CE2 4.14Å; L215-Q339 HydrophobicContact CD2-CB 4.37Å; L215-L340 HydrophobicContact CD1-CB 3.99Å; L215-L340 HydrophobicContact CD1-CD1 4.36Å; L215-L340 HydrophobicContact CD1-CG 4.08Å; L215-L343 HydrophobicContact CD1-CD2 4.14Å; L215-L343 HydrophobicContact CG-CD2 4.12Å
216S93Very high96.1Very high111 Ų11148.2 Ų48.278%0.77625%0.252SS*.THydrogen-bonded Turntrans-58.9-10.5-174.559.80000115.9I218S216-I218 VanDerWaalsContact C-N 3.33Å
217L95.7Very high95.9Very high70 Ų7047.7 Ų47.737%0.36624%0.243SC..THydrogen-bonded Turntrans-74.3-23.6172.5-60.6-178.5000112.7L215 K219 I326 V330 F336L215-L217 PolarHBondContact O-N 3.01Å; L217-K219 PolarHBondContact O-N 3.2Å; L217-I326 HydrophobicContact CB-CG2 4.05Å; L217-I326 WeakPolarHBondContact O-CG2 3.03Å; L217-V330 HydrophobicContact CD1-CG1 3.95Å; L217-V330 HydrophobicContact CD2-CG1 4.03Å; L217-V330 HydrophobicContact CD2-CG2 4.36Å; L217-F336 HydrophobicContact CB-CE2 4.2Å; L217-F336 HydrophobicContact CD1-CD2 3.83Å; L217-F336 HydrophobicContact CD1-CE2 3.95Å; L217-F336 HydrophobicContact CG-CE2 4.49Å
218I96.5Very high95.7Very high11 Ų1150.4 Ų50.46%0.05626%0.256CS..EExtended strand (participates in β ladder)trans-74.9118.5179.6-61.1176.3000108.4V211 E212 L215 S216 F324 I326 F336V211-I218 HydrophobicContact CG1-CD1 3.57Å; E212-I218 HydrophobicContact CG-CG2 4.12Å; L215-I218 HydrophobicContact CB-CD1 3.72Å; L215-I218 HydrophobicContact CB-CG1 4.07Å; L215-I218 HydrophobicContact CD1-CD1 3.77Å; L215-I218 HydrophobicContact CG-CD1 4.39Å; L215-I218 WeakPolarHBondContact O-CB 3.46Å; L215-I218 PolarHBondContact O-N 2.88Å; S216-I218 VanDerWaalsContact C-N 3.33Å; I218-F324 HydrophobicContact CD1-CB 4.18Å; I218-F324 HydrophobicContact CD1-CD1 3.74Å; I218-F324 HydrophobicContact CD1-CE1 4.34Å; I218-F324 HydrophobicContact CD1-CG 4.02Å; I218-F324 HydrophobicContact CG1-CB 4.33Å; I218-F324 HydrophobicContact CG2-CB 4.26Å; I218-F324 HydrophobicContact CG2-CD1 4.15Å; I218-I326 HydrophobicContact CG1-CD1 4.23Å; I218-I326 HydrophobicContact CG1-CG1 4.08Å; I218-F336 HydrophobicContact CG1-CZ 4.4Å
219K95.1Very high95.7Very high98 Ų9850.6 Ų50.643%0.42626%0.257SS..EExtended strand (participates in β ladder)trans-92.5-42.2179.4-167-179.6-174.9-165.70112L217 E308 M325L217-K219 PolarHBondContact O-N 3.2Å; K219-E308 VanDerWaalsContact CD-OE2 3.28Å; K219-E308 WeakPolarHBondContact CD-OE2 3.35Å; K219-E308 WeakPolarHBondContact CE-OE2 3.36Å; K219-E308 IonicContact NZ-OE1 2.84Å; K219-E308 PolarHBondContact NZ-OE1 2.84Å; K219-E308 IonicContact NZ-OE2 2.75Å; K219-E308 PolarHBondContact NZ-OE2 3.28Å; K219-M325 PolarHBondContact N-O 3.16Å
220Y96.5Very high95.6Very high48 Ų4847.5 Ų47.519%0.18824%0.24CC..EExtended strand (participates in β ladder)trans-135.4149.9177.9-49.3-71.1000110.9G233 L234 V301 E308 L310 M325Y220-G233 WeakPolarHBondContact CD1-O 3.32Å; Y220-L234 HydrophobicContact CD1-CD2 4.33Å; Y220-L234 HydrophobicContact CD2-CD2 3.53Å; Y220-L234 HydrophobicContact CE2-CD2 4.07Å; Y220-L234 HydrophobicContact CG-CD2 3.67Å; Y220-L234 HydrophobicContact CG-CG 4.48Å; Y220-V301 HydrophobicContact CE2-CG2 4.36Å; Y220-E308 WeakPolarHBondContact CE2-OE1 3.21Å; Y220-E308 PolarHBondContact OH-OE1 2.88Å; Y220-L310 HydrophobicContact CD2-CD1 3.74Å; Y220-L310 HydrophobicContact CE2-CD1 3.84Å; Y220-M325 HydrophobicContact CD2-CB 4.29Å; Y220-M325 PolarHBondContact N-O 3.45Å; Y220-M325 PolarHBondContact O-N 3.03Å
221T98.1Very high95.6Very high0 Ų044.3 Ų44.30%023%0.228CC..EExtended strand (participates in β ladder)trans-127.7139.4175-53.20000110.6V208 E212 S232 G233 C323 F324V208-T221 HydrophobicContact CG1-CG2 4.07Å; V208-T221 HydrophobicContact CG2-CG2 4.02Å; E212-T221 WeakPolarHBondContact CG-OG1 3.36Å; E212-T221 WeakPolarHBondContact OE1-CB 3.5Å; E212-T221 PolarHBondContact OE1-N 3.15Å; E212-T221 PolarHBondContact OE1-OG1 3.14Å; T221-S232 CarbonylContact O-C 3.55Å; T221-G233 PolarHBondContact O-N 3.12Å; T221-C323 CarbonylContact C-O 3.6Å; T221-C323 VanDerWaalsContact CA-O 3.31Å; T221-C323 WeakPolarHBondContact CA-O 3.37Å; T221-F324 HydrophobicContact CG2-CD1 3.93Å; T221-F324 HydrophobicContact CG2-CE1 3.83Å
222A98.1Very high95.6Very high0 Ų045.8 Ų45.80%024%0.238CC..EExtended strand (participates in β ladder)trans-124.3140.516500000110.5L224 L229 W231 M239 A322 C323 M325A222-L224 HydrophobicContact CB-CD1 4.46Å; A222-L229 HydrophobicContact CB-CD1 4.47Å; A222-W231 CarbonylContact C-O 3.6Å; A222-W231 VanDerWaalsContact CA-O 3.29Å; A222-W231 WeakPolarHBondContact CA-O 3.4Å; A222-M239 HydrophobicContact CB-CE 4.44Å; A222-M239 HydrophobicContact CB-SD 3.94Å; A222-A322 CarbonylContact O-C 3.55Å; A222-A322 WeakPolarHBondContact O-CA 3.46Å; A222-C323 HydrophobicContact CB-CB 4.22Å; A222-C323 PolarHBondContact N-O 2.97Å; A222-C323 PolarHBondContact O-N 2.79Å; A222-M325 HydrophobicContact CB-CE 4.26Å
223F98.1Very high95.5Very high0 Ų044.7 Ų44.70%024%0.243CC..EExtended strand (participates in β ladder)trans-122.5128.1-179-166.4-74.5000110.1I204 F207 I230 W231 A320 L348 L351 I355I204-F223 HydrophobicContact CD1-CD1 4.37Å; I204-F223 HydrophobicContact CD1-CE1 4.09Å; I204-F223 HydrophobicContact CG1-CE1 4.48Å; I204-F223 HydrophobicContact CG1-CZ 4.45Å; I204-F223 HydrophobicContact CG2-CB 4.12Å; I204-F223 HydrophobicContact CG2-CD1 4.06Å; I204-F223 HydrophobicContact CG2-CD2 3.9Å; I204-F223 HydrophobicContact CG2-CE1 4.47Å; I204-F223 HydrophobicContact CG2-CE2 4.29Å; I204-F223 HydrophobicContact CG2-CG 3.76Å; F207-F223 HydrophobicContact CD1-CD2 4.14Å; F207-F223 HydrophobicContact CD1-CE2 4.14Å; F207-F223 AromaticContact CE1-CD2 3.96Å; F207-F223 HydrophobicContact CE1-CD2 3.96Å; F207-F223 HydrophobicContact CE1-CE2 4.01Å; F223-I230 HydrophobicContact CD1-CB 4.14Å; F223-I230 HydrophobicContact CD1-CD1 3.72Å; F223-I230 HydrophobicContact CD1-CG1 4.47Å; F223-I230 HydrophobicContact CE1-CD1 3.8Å; F223-I230 PolarHBondContact O-N 3.09Å; F223-W231 HydrophobicContact CB-CB 4.14Å; F223-W231 PolarHBondContact N-O 2.92Å; F223-W231 PolarHBondContact O-N 3.39Å; F223-A320 HydrophobicContact CE1-CB 4.28Å; F223-A320 HydrophobicContact CZ-CB 3.95Å; F223-L348 HydrophobicContact CD2-CD1 4.19Å; F223-L348 HydrophobicContact CE2-CD1 3.24Å; F223-L348 HydrophobicContact CZ-CD1 3.61Å; F223-L351 HydrophobicContact CE2-CD1 4.23Å; F223-I355 HydrophobicContact CE1-CD1 4.16Å; F223-I355 HydrophobicContact CZ-CD1 4.43Å
224L97.6Very high95.5Very high1 Ų137.5 Ų37.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-127150.7179.8-59.289.8000110.6A222 Q228 L229 Y243 L246 F251 A320 A321A222-L224 HydrophobicContact CB-CD1 4.46Å; L224-Q228 CarbonylContact C-O 3.52Å; L224-Q228 WeakPolarHBondContact CA-O 3.48Å; L224-Q228 WeakPolarHBondContact CB-O 3.31Å; L224-L229 HydrophobicContact CD1-CD1 4.28Å; L224-L229 HydrophobicContact CG-CD1 3.98Å; L224-Y243 HydrophobicContact CD2-CD2 3.88Å; L224-Y243 HydrophobicContact CD2-CE2 3.9Å; L224-L246 HydrophobicContact CD1-CD1 4.11Å; L224-L246 HydrophobicContact CD2-CD1 4.21Å; L224-F251 HydrophobicContact CD2-CE2 4.04Å; L224-F251 HydrophobicContact CD2-CZ 4.29Å; L224-A320 CarbonylContact O-C 3.57Å; L224-A320 WeakPolarHBondContact O-CA 3.44Å; L224-A321 HydrophobicContact CB-CB 4.47Å; L224-A321 PolarHBondContact N-O 2.81Å; L224-A321 PolarHBondContact O-N 2.76Å
225Y94.6Very high95.3Very high6 Ų640.4 Ų40.42%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-137.4130170.7-175.1-90.9000109.6F194 D227 Q228 I230 S319 A320 A352 I355 C356F194-Y225 AromaticContact CD2-CD1 3.85Å; F194-Y225 HydrophobicContact CD2-CD1 3.85Å; F194-Y225 HydrophobicContact CE1-CD1 4.25Å; F194-Y225 AromaticContact CE2-CD1 3.49Å; F194-Y225 HydrophobicContact CE2-CD1 3.49Å; F194-Y225 VanDerWaalsContact CE2-CD1 3.49Å; F194-Y225 AromaticContact CE2-CE1 3.93Å; F194-Y225 HydrophobicContact CE2-CE1 3.93Å; F194-Y225 HydrophobicContact CG-CD1 4.42Å; F194-Y225 AromaticContact CZ-CD1 3.7Å; F194-Y225 HydrophobicContact CZ-CD1 3.7Å; F194-Y225 AromaticContact CZ-CE1 3.91Å; F194-Y225 HydrophobicContact CZ-CE1 3.91Å; Y225-D227 PolarHBondContact O-N 3.32Å; Y225-Q228 PolarHBondContact N-O 3.25Å; Y225-Q228 WeakPolarHBondContact O-CB 3.41Å; Y225-Q228 PolarHBondContact O-N 3.02Å; Y225-I230 VanDerWaalsContact CB-CD1 3.49Å; Y225-S319 WeakPolarHBondContact CA-O 3.48Å; Y225-A320 HydrophobicContact CD2-CB 4.07Å; Y225-A352 HydrophobicContact CE2-CB 4.36Å; Y225-I355 HydrophobicContact CD1-CG2 3.69Å; Y225-I355 HydrophobicContact CD2-CB 4.16Å; Y225-I355 HydrophobicContact CD2-CD1 3.91Å; Y225-I355 HydrophobicContact CD2-CG2 3.89Å; Y225-I355 HydrophobicContact CE1-CG2 3.6Å; Y225-I355 HydrophobicContact CE2-CB 3.93Å; Y225-I355 HydrophobicContact CE2-CD1 4.44Å; Y225-I355 HydrophobicContact CE2-CG2 3.82Å; Y225-I355 HydrophobicContact CG-CD1 4.33Å; Y225-I355 HydrophobicContact CG-CG2 3.83Å; Y225-C356 WeakPolarHBondContact OH-CA 3.42Å; Y225-C356 VanDerWaalsContact OH-CB 3.28Å; Y225-C356 WeakPolarHBondContact OH-CB 3.21Å
226N91.1Very high95.2Very high74 Ų7444.6 Ų44.640%0.39624%0.235SC..THydrogen-bonded Turntrans49.345.1-172.1-76-27.9000112.4Q228 S319N226-Q228 PolarHBondContact O-N 3.08Å; N226-S319 PolarHBondContact N-O 3.44Å; N226-S319 WeakPolarHBondContact OD1-CB 3.33Å; N226-S319 PolarHBondContact OD1-OG 2.94Å
227D92.4Very high95.1Very high62 Ų6244.6 Ų44.633%0.33223%0.226SC..THydrogen-bonded Turntrans62.17.4-178.7-50-23.5000114.7Y225 Y243 T247 F251Y225-D227 PolarHBondContact O-N 3.32Å; D227-Y243 WeakPolarHBondContact O-CE2 3.45Å; D227-Y243 PolarHBondContact O-OH 3.31Å; D227-T247 HydrophobicContact CB-CG2 4.22Å; D227-F251 HydrophobicContact CB-CD2 4.03Å; D227-F251 HydrophobicContact CB-CE2 4.31Å; D227-F251 WeakPolarHBondContact OD1-CD2 3.4Å
228Q93.3Very high95Very high64 Ų6441.7 Ų41.730%0.29921%0.211SC..EExtended strand (participates in β ladder)trans-100139.8175.8-63.4-172.5-43.400110.8S192 F194 L224 Y225 N226S192-Q228 CarbonylContact O-C 3.39Å; S192-Q228 VanDerWaalsContact O-CA 3.23Å; S192-Q228 WeakPolarHBondContact O-CA 3.49Å; S192-Q228 WeakPolarHBondContact O-CB 3.4Å; F194-Q228 HydrophobicContact CB-CB 3.78Å; F194-Q228 HydrophobicContact CD2-CB 4.22Å; L224-Q228 CarbonylContact C-O 3.52Å; L224-Q228 WeakPolarHBondContact CA-O 3.48Å; L224-Q228 WeakPolarHBondContact CB-O 3.31Å; Y225-Q228 PolarHBondContact N-O 3.25Å; Y225-Q228 WeakPolarHBondContact O-CB 3.41Å; Y225-Q228 PolarHBondContact O-N 3.02Å; N226-Q228 PolarHBondContact O-N 3.08Å
229L96.2Very high95Very high5 Ų541.3 Ų41.33%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-75.7136.7-177.1-169.467.4000111.4I191 S192 F193 F194 A222 L224 W231 M239 Y243I191-L229 HydrophobicContact CD1-CD2 4.26Å; I191-L229 HydrophobicContact CG2-CB 3.55Å; I191-L229 HydrophobicContact CG2-CD2 3.7Å; I191-L229 HydrophobicContact CG2-CG 4.28Å; S192-L229 PolarHBondContact O-N 3.21Å; F193-L229 CarbonylContact C-O 3.5Å; F193-L229 VanDerWaalsContact CA-O 3.27Å; F193-L229 WeakPolarHBondContact CA-O 3.35Å; F193-L229 HydrophobicContact CD1-CB 4.25Å; F193-L229 HydrophobicContact CD1-CD2 4.44Å; F193-L229 HydrophobicContact CE1-CB 4.42Å; F193-L229 HydrophobicContact CE1-CD2 3.82Å; F193-L229 HydrophobicContact CE1-CG 4.36Å; F193-L229 HydrophobicContact CZ-CD2 4.4Å; F194-L229 PolarHBondContact N-O 2.97Å; A222-L229 HydrophobicContact CB-CD1 4.47Å; L224-L229 HydrophobicContact CD1-CD1 4.28Å; L224-L229 HydrophobicContact CG-CD1 3.98Å; L229-W231 WeakPolarHBondContact CD1-O 3.36Å; L229-M239 HydrophobicContact CD1-CE 4.01Å; L229-M239 HydrophobicContact CD1-SD 4.27Å; L229-M239 HydrophobicContact CD2-CG 3.84Å; L229-Y243 HydrophobicContact CB-CD2 4.46Å; L229-Y243 HydrophobicContact CB-CE2 4.32Å
230I95.5Very high95Very high14 Ų1439.4 Ų39.47%0.07220%0.199CC..EExtended strand (participates in β ladder)trans-113.5-45.9172.8-68.6162.2000110.7F194 L196 Y201 I204 F223 Y225 I355F194-I230 HydrophobicContact CB-CD1 4.2Å; F194-I230 HydrophobicContact CB-CG1 3.66Å; F194-I230 HydrophobicContact CD1-CD1 4.4Å; F194-I230 HydrophobicContact CG-CD1 4.48Å; F194-I230 HydrophobicContact CG-CG1 4.41Å; L196-I230 HydrophobicContact CD1-CB 4.46Å; L196-I230 HydrophobicContact CD1-CD1 3.93Å; L196-I230 HydrophobicContact CD1-CG1 4.04Å; L196-I230 HydrophobicContact CD1-CG2 3.56Å; Y201-I230 HydrophobicContact CD2-CG2 4.18Å; Y201-I230 HydrophobicContact CE2-CG2 4.4Å; I204-I230 HydrophobicContact CD1-CD1 4.06Å; I204-I230 HydrophobicContact CD1-CG2 3.78Å; I204-I230 HydrophobicContact CG2-CG2 4.29Å; F223-I230 HydrophobicContact CD1-CB 4.14Å; F223-I230 HydrophobicContact CD1-CD1 3.72Å; F223-I230 HydrophobicContact CD1-CG1 4.47Å; F223-I230 HydrophobicContact CE1-CD1 3.8Å; F223-I230 PolarHBondContact O-N 3.09Å; Y225-I230 VanDerWaalsContact CB-CD1 3.49Å; I230-I355 HydrophobicContact CD1-CD1 4.39Å
231W96Very high94.9Very high63 Ų6338.3 Ų38.324%0.23920%0.196CC..EExtended strand (participates in β ladder)trans-141.3145.6-176.8178.7-94.8000110.6Y201 V208 A222 F223 L229Y201-W231 HydrophobicContact CE2-CE3 4.34Å; Y201-W231 AromaticContact CZ-CE3 3.81Å; Y201-W231 WeakPolarHBondContact OH-CZ3 3.41Å; V208-W231 HydrophobicContact CG2-CG 4.48Å; A222-W231 CarbonylContact C-O 3.6Å; A222-W231 VanDerWaalsContact CA-O 3.29Å; A222-W231 WeakPolarHBondContact CA-O 3.4Å; F223-W231 HydrophobicContact CB-CB 4.14Å; F223-W231 PolarHBondContact N-O 2.92Å; F223-W231 PolarHBondContact O-N 3.39Å; L229-W231 WeakPolarHBondContact CD1-O 3.36Å
232S96.1Very high94.9Very high31 Ų3138.3 Ų38.322%0.21720%0.196CC..EExtended strand (participates in β ladder)trans-147131.5172.2172.70000109.6T221 L234 M239T221-S232 CarbonylContact O-C 3.55Å; S232-L234 PolarHBondContact OG-N 3.45Å; S232-L234 PolarHBondContact OG-O 2.52Å; S232-M239 WeakPolarHBondContact OG-CG 3.42Å; S232-M239 PolarHBondContact OG-SD 2.9Å; S232-M239 VanDerWaalsContact OG-SD 3.37Å
233G95Very high94.8Very high35 Ų3538.9 Ų38.936%0.36120%0.199SC..SBendtrans-87.6-5165.500000114.1Y220 T221Y220-G233 WeakPolarHBondContact CD1-O 3.32Å; T221-G233 PolarHBondContact O-N 3.12Å
234L94.6Very high94.6Very high15 Ų1541.4 Ų41.48%0.07921%0.209CC..SBendtrans-84153.3174.5-65.7174.4000111.7Y220 S232 M239 L242 V301 M325Y220-L234 HydrophobicContact CD1-CD2 4.33Å; Y220-L234 HydrophobicContact CD2-CD2 3.53Å; Y220-L234 HydrophobicContact CE2-CD2 4.07Å; Y220-L234 HydrophobicContact CG-CD2 3.67Å; Y220-L234 HydrophobicContact CG-CG 4.48Å; S232-L234 PolarHBondContact OG-N 3.45Å; S232-L234 PolarHBondContact OG-O 2.52Å; L234-M239 HydrophobicContact CB-CB 4.15Å; L234-M239 HydrophobicContact CD1-SD 4.26Å; L234-L242 HydrophobicContact CD1-CD2 3.65Å; L234-V301 HydrophobicContact CD2-CG1 4.22Å; L234-V301 HydrophobicContact CD2-CG2 4.47Å; L234-M325 HydrophobicContact CD1-CE 4.41Å; L234-M325 HydrophobicContact CD1-SD 4.15Å; L234-M325 HydrophobicContact CG-SD 4.33Å
235E93.1Very high94.5Very high129 Ų12942.4 Ų42.460%0.60321%0.213SC*.  trans-58.2154167.4-65-165.5161.500111.8D237 D238 M239E235-D237 PolarHBondContact O-N 3.02Å; E235-D238 PolarHBondContact O-N 3.31Å; E235-M239 WeakPolarHBondContact O-CB 3.47Å; E235-M239 PolarHBondContact O-N 2.73Å
236Q91.8Very high94.5Very high99 Ų9942.1 Ų42.146%0.46321%0.212SC..Hα-helixtrans-60.2-42.4-171.4-67.2-1724.800112.8M239 R240 M382 L384Q236-M239 PolarHBondContact O-N 2.87Å; Q236-R240 VanDerWaalsContact O-CB 3.28Å; Q236-R240 WeakPolarHBondContact O-CB 3.29Å; Q236-R240 PolarHBondContact O-N 2.95Å; Q236-M382 PolarHBondContact NE2-O 2.76Å; Q236-M382 PolarHBondContact OE1-O 2.82Å; Q236-L384 HydrophobicContact CB-CD1 4.04Å
237D91.1Very high94.5Very high111 Ų11139.4 Ų39.459%0.59420%0.198SC*.Hα-helixtrans-66.3-42.4-178.5-76.5-19.5000112.2E235 R240 I241E235-D237 PolarHBondContact O-N 3.02Å; D237-R240 WeakPolarHBondContact O-CB 3.44Å; D237-R240 PolarHBondContact O-N 2.81Å; D237-I241 WeakPolarHBondContact O-CG1 3.28Å; D237-I241 PolarHBondContact O-N 3.23Å
238D94.3Very high94.3Very high10 Ų1039 Ų395%0.05320%0.198CC..Hα-helixtrans-69.8-42.9176.8-69.4-37.5000111.4E235 R240 I241 L242 V301 S302E235-D238 PolarHBondContact O-N 3.31Å; D238-R240 VanDerWaalsContact C-N 3.28Å; D238-R240 PolarHBondContact O-N 2.97Å; D238-I241 PolarHBondContact O-N 2.99Å; D238-L242 WeakPolarHBondContact O-CB 3.36Å; D238-L242 PolarHBondContact O-N 3.46Å; D238-V301 HydrophobicContact CB-CB 4.3Å; D238-V301 HydrophobicContact CB-CG1 4.3Å; D238-S302 PolarHBondContact OD1-N 2.77Å; D238-S302 PolarHBondContact OD1-OG 2.9Å; D238-S302 WeakPolarHBondContact OD2-CA 3.47Å; D238-S302 VanDerWaalsContact OD2-CB 3.29Å; D238-S302 WeakPolarHBondContact OD2-CB 3.26Å; D238-S302 PolarHBondContact OD2-N 2.95Å; D238-S302 PolarHBondContact OD2-OG 2.85Å
239M95.9Very high94.1Very high3 Ų336.5 Ų36.52%0.01519%0.188CC..Hα-helixtrans-62.7-36.7177.5-172.161.9-12300111.3I191 A222 L229 S232 L234 E235 Q236 I241 L242 Y243 L246I191-M239 HydrophobicContact CD1-CG 4.25Å; A222-M239 HydrophobicContact CB-CE 4.44Å; A222-M239 HydrophobicContact CB-SD 3.94Å; L229-M239 HydrophobicContact CD1-CE 4.01Å; L229-M239 HydrophobicContact CD1-SD 4.27Å; L229-M239 HydrophobicContact CD2-CG 3.84Å; S232-M239 WeakPolarHBondContact OG-CG 3.42Å; S232-M239 PolarHBondContact OG-SD 2.9Å; S232-M239 VanDerWaalsContact OG-SD 3.37Å; L234-M239 HydrophobicContact CB-CB 4.15Å; L234-M239 HydrophobicContact CD1-SD 4.26Å; E235-M239 WeakPolarHBondContact O-CB 3.47Å; E235-M239 PolarHBondContact O-N 2.73Å; Q236-M239 PolarHBondContact O-N 2.87Å; M239-I241 PolarHBondContact O-N 2.99Å; M239-L242 HydrophobicContact CE-CB 4.28Å; M239-L242 HydrophobicContact CE-CD2 4.14Å; M239-L242 HydrophobicContact CE-CG 4.19Å; M239-L242 PolarHBondContact O-N 3.44Å; M239-L242 HydrophobicContact SD-CD2 4.25Å; M239-Y243 HydrophobicContact CE-CD2 4.47Å; M239-Y243 WeakPolarHBondContact O-CB 3.38Å; M239-Y243 PolarHBondContact O-N 3.46Å; M239-L246 HydrophobicContact CE-CD1 4.36Å
240R95.2Very high93.9Very high58 Ų5836.7 Ų36.722%0.21919%0.189CC..Hα-helixtrans-57.5-48.3175.2-179.9-173.3169.1130.6-2.6111.9F188 G189 I191 Q236 D237 D238 Y243 K244 L384F188-R240 PolarHBondContact O-NH1 3.25Å; F188-R240 PolarHBondContact O-NH2 3.04Å; G189-R240 VanDerWaalsContact CA-NH2 3.29Å; G189-R240 WeakPolarHBondContact O-CD 3.21Å; G189-R240 WeakPolarHBondContact O-CG 3.42Å; G189-R240 VanDerWaalsContact O-CZ 3.28Å; G189-R240 PolarHBondContact O-NE 3.08Å; I191-R240 HydrophobicContact CD1-CB 4.48Å; Q236-R240 VanDerWaalsContact O-CB 3.28Å; Q236-R240 WeakPolarHBondContact O-CB 3.29Å; Q236-R240 PolarHBondContact O-N 2.95Å; D237-R240 WeakPolarHBondContact O-CB 3.44Å; D237-R240 PolarHBondContact O-N 2.81Å; D238-R240 VanDerWaalsContact C-N 3.28Å; D238-R240 PolarHBondContact O-N 2.97Å; R240-Y243 PolarHBondContact O-N 3.41Å; R240-K244 PolarHBondContact O-N 3.04Å; R240-K244 VanDerWaalsContact O-N 3.1Å; R240-L384 HydrophobicContact CB-CD1 3.89Å; R240-L384 HydrophobicContact CG-CD1 4.2Å
241I95.3Very high93.7Very high24 Ų2436.1 Ų36.112%0.12319%0.186CC..Hα-helixtrans-68.6-43.9-178.8-56.3165.4000109.9L145 D237 D238 M239 Y243 K244 Y245L145-I241 HydrophobicContact CB-CG2 3.92Å; L145-I241 HydrophobicContact CD2-CG2 4.04Å; L145-I241 HydrophobicContact CG-CG2 4.4Å; D237-I241 WeakPolarHBondContact O-CG1 3.28Å; D237-I241 PolarHBondContact O-N 3.23Å; D238-I241 PolarHBondContact O-N 2.99Å; M239-I241 PolarHBondContact O-N 2.99Å; I241-Y243 PolarHBondContact O-N 3.02Å; I241-K244 PolarHBondContact O-N 3.41Å; I241-Y245 PolarHBondContact O-N 3.29Å; I241-Y245 VanDerWaalsContact O-N 3.07Å
242L97.1Very high93.2Very high1 Ų133.7 Ų33.71%0.00518%0.178CC..Hα-helixtrans-61-44.5175.8178.561.7000111.5L234 D238 M239 K244 Y245 L246 L312 M325L234-L242 HydrophobicContact CD1-CD2 3.65Å; D238-L242 WeakPolarHBondContact O-CB 3.36Å; D238-L242 PolarHBondContact O-N 3.46Å; M239-L242 HydrophobicContact CE-CB 4.28Å; M239-L242 HydrophobicContact CE-CD2 4.14Å; M239-L242 HydrophobicContact CE-CG 4.19Å; M239-L242 PolarHBondContact O-N 3.44Å; M239-L242 HydrophobicContact SD-CD2 4.25Å; L242-K244 VanDerWaalsContact C-N 3.33Å; L242-K244 PolarHBondContact O-N 3.27Å; L242-Y245 HydrophobicContact CD1-CD1 4.2Å; L242-Y245 WeakPolarHBondContact O-CB 3.46Å; L242-Y245 PolarHBondContact O-N 2.79Å; L242-Y245 VanDerWaalsContact O-N 3.1Å; L242-L246 HydrophobicContact CD1-CD1 4.42Å; L242-L246 HydrophobicContact CD1-CD2 4.46Å; L242-L246 HydrophobicContact CD1-CG 4.15Å; L242-L246 HydrophobicContact CG-CD1 4.03Å; L242-L246 HydrophobicContact CG-CG 4.21Å; L242-L246 VanDerWaalsContact O-CG 3.29Å; L242-L246 WeakPolarHBondContact O-CG 3.48Å; L242-L246 PolarHBondContact O-N 2.95Å; L242-L312 HydrophobicContact CD1-CD1 4.28Å; L242-L312 HydrophobicContact CD1-CD2 3.68Å; L242-L312 HydrophobicContact CD2-CD1 4.49Å; L242-M325 HydrophobicContact CD2-CE 3.73Å
243Y96.6Very high92.5Very high12 Ų1239.2 Ų39.25%0.04719%0.194CC..Hα-helixtrans-59.9-43178.9-178.7-101.2000111.5I191 S192 L224 D227 L229 M239 R240 I241 Y245 L246 T247I191-Y243 HydrophobicContact CB-CD1 4.35Å; I191-Y243 HydrophobicContact CB-CE1 4.48Å; I191-Y243 HydrophobicContact CG1-CD1 4.08Å; I191-Y243 HydrophobicContact CG1-CG 4.22Å; I191-Y243 HydrophobicContact CG2-CD1 4.32Å; I191-Y243 HydrophobicContact CG2-CD2 4.19Å; I191-Y243 HydrophobicContact CG2-CE1 4.34Å; I191-Y243 HydrophobicContact CG2-CE2 4.19Å; I191-Y243 HydrophobicContact CG2-CG 4.25Å; S192-Y243 VanDerWaalsContact CB-OH 3.29Å; S192-Y243 WeakPolarHBondContact CB-OH 3.43Å; S192-Y243 PolarHBondContact N-OH 2.8Å; L224-Y243 HydrophobicContact CD2-CD2 3.88Å; L224-Y243 HydrophobicContact CD2-CE2 3.9Å; D227-Y243 WeakPolarHBondContact O-CE2 3.45Å; D227-Y243 PolarHBondContact O-OH 3.31Å; L229-Y243 HydrophobicContact CB-CD2 4.46Å; L229-Y243 HydrophobicContact CB-CE2 4.32Å; M239-Y243 HydrophobicContact CE-CD2 4.47Å; M239-Y243 WeakPolarHBondContact O-CB 3.38Å; M239-Y243 PolarHBondContact O-N 3.46Å; R240-Y243 PolarHBondContact O-N 3.41Å; I241-Y243 PolarHBondContact O-N 3.02Å; Y243-Y245 PolarHBondContact O-N 2.89Å; Y243-L246 PolarHBondContact O-N 3.28Å; Y243-T247 HydrophobicContact CD1-CG2 4.36Å; Y243-T247 HydrophobicContact CD2-CG2 4.16Å; Y243-T247 HydrophobicContact CE1-CG2 3.99Å; Y243-T247 HydrophobicContact CE2-CG2 3.78Å; Y243-T247 HydrophobicContact CG-CG2 4.44Å; Y243-T247 WeakPolarHBondContact O-CB 3.41Å; Y243-T247 WeakPolarHBondContact O-CG2 3.09Å; Y243-T247 PolarHBondContact O-N 2.79Å; Y243-T247 PolarHBondContact O-OG1 3.48Å
244K93.6Very high91.8Very high52 Ų5240 Ų4023%0.22619%0.189CC..Hα-helixtrans-59.9-46.5173-171.976.8168.7-171.50110.8M142 D186 R240 I241 L242 L246 T247 T248M142-K244 HydrophobicContact CE-CB 4.46Å; M142-K244 HydrophobicContact CE-CG 4.29Å; D186-K244 IonicContact OD1-NZ 3.63Å; D186-K244 PolarHBondContact OD1-NZ 2.87Å; R240-K244 PolarHBondContact O-N 3.04Å; R240-K244 VanDerWaalsContact O-N 3.1Å; I241-K244 PolarHBondContact O-N 3.41Å; L242-K244 VanDerWaalsContact C-N 3.33Å; L242-K244 PolarHBondContact O-N 3.27Å; K244-L246 PolarHBondContact O-N 3.39Å; K244-T247 PolarHBondContact O-N 3.42Å; K244-T247 PolarHBondContact O-OG1 3.35Å; K244-T248 HydrophobicContact CD-CG2 3.71Å; K244-T248 HydrophobicContact CG-CG2 4.17Å; K244-T248 WeakPolarHBondContact O-CB 3.38Å; K244-T248 WeakPolarHBondContact O-CG2 3.48Å; K244-T248 PolarHBondContact O-N 2.84Å; K244-T248 PolarHBondContact O-OG1 2.85Å
245Y95.1Very high90.6Very high23 Ų2340.6 Ų40.69%0.0919%0.194CC..Hα-helixtrans-58.7-47176.3168.2-106.8000112.3M142 L145 F146 I241 L242 Y243 T247 S249 L250 L312M142-Y245 HydrophobicContact SD-CD2 4.26Å; M142-Y245 HydrophobicContact SD-CG 4.46Å; L145-Y245 HydrophobicContact CD2-CG 4.44Å; F146-Y245 HydrophobicContact CE1-CE2 4.45Å; F146-Y245 AromaticContact CE2-CD2 3.7Å; F146-Y245 HydrophobicContact CE2-CD2 3.7Å; F146-Y245 AromaticContact CE2-CE2 3.92Å; F146-Y245 HydrophobicContact CE2-CE2 3.92Å; F146-Y245 HydrophobicContact CE2-CG 4.12Å; F146-Y245 AromaticContact CZ-CD1 3.98Å; F146-Y245 HydrophobicContact CZ-CD1 3.98Å; F146-Y245 AromaticContact CZ-CD2 3.53Å; F146-Y245 HydrophobicContact CZ-CD2 3.53Å; F146-Y245 AromaticContact CZ-CE1 3.88Å; F146-Y245 HydrophobicContact CZ-CE1 3.88Å; F146-Y245 AromaticContact CZ-CE2 3.43Å; F146-Y245 HydrophobicContact CZ-CE2 3.43Å; F146-Y245 VanDerWaalsContact CZ-CE2 3.43Å; F146-Y245 AromaticContact CZ-CG 3.8Å; F146-Y245 HydrophobicContact CZ-CG 3.8Å; F146-Y245 AromaticContact CZ-CZ 3.61Å; I241-Y245 PolarHBondContact O-N 3.29Å; I241-Y245 VanDerWaalsContact O-N 3.07Å; L242-Y245 HydrophobicContact CD1-CD1 4.2Å; L242-Y245 WeakPolarHBondContact O-CB 3.46Å; L242-Y245 PolarHBondContact O-N 2.79Å; L242-Y245 VanDerWaalsContact O-N 3.1Å; Y243-Y245 PolarHBondContact O-N 2.89Å; Y245-T247 PolarHBondContact O-N 2.95Å; Y245-S249 WeakPolarHBondContact O-CA 3.37Å; Y245-S249 VanDerWaalsContact O-CB 3.26Å; Y245-S249 WeakPolarHBondContact O-CB 3.39Å; Y245-S249 PolarHBondContact O-N 3.16Å; Y245-L250 HydrophobicContact CE1-CB 4.08Å; Y245-L250 HydrophobicContact CE1-CD2 4.33Å; Y245-L250 PolarHBondContact O-N 2.9Å; Y245-L312 HydrophobicContact CD1-CD2 4.39Å; Y245-L312 HydrophobicContact CE1-CD2 4.03Å
246L95.2Very high88.9Confident0 Ų039 Ų390%019%0.186CC..Iπ-helixtrans-59.1-49.5-179.9-69.5175.1000110.9L224 M239 L242 Y243 K244 L250 F251 V314L224-L246 HydrophobicContact CD1-CD1 4.11Å; L224-L246 HydrophobicContact CD2-CD1 4.21Å; M239-L246 HydrophobicContact CE-CD1 4.36Å; L242-L246 HydrophobicContact CD1-CD1 4.42Å; L242-L246 HydrophobicContact CD1-CD2 4.46Å; L242-L246 HydrophobicContact CD1-CG 4.15Å; L242-L246 HydrophobicContact CG-CD1 4.03Å; L242-L246 HydrophobicContact CG-CG 4.21Å; L242-L246 VanDerWaalsContact O-CG 3.29Å; L242-L246 WeakPolarHBondContact O-CG 3.48Å; L242-L246 PolarHBondContact O-N 2.95Å; Y243-L246 PolarHBondContact O-N 3.28Å; K244-L246 PolarHBondContact O-N 3.39Å; L246-L250 HydrophobicContact CD2-CB 4.44Å; L246-L250 HydrophobicContact CD2-CD2 3.61Å; L246-L250 PolarHBondContact O-N 2.91Å; L246-F251 HydrophobicContact CB-CD2 4.3Å; L246-F251 HydrophobicContact CB-CE1 4.46Å; L246-F251 HydrophobicContact CB-CE2 3.79Å; L246-F251 HydrophobicContact CB-CZ 3.88Å; L246-F251 HydrophobicContact CD1-CZ 4.33Å; L246-F251 HydrophobicContact CD2-CE1 4.23Å; L246-F251 HydrophobicContact CD2-CZ 4.19Å; L246-F251 HydrophobicContact CG-CZ 4.35Å; L246-F251 WeakPolarHBondContact O-CB 3.46Å; L246-F251 WeakPolarHBondContact O-CD2 3.29Å; L246-F251 VanDerWaalsContact O-CG 3.29Å; L246-F251 WeakPolarHBondContact O-CG 3.36Å; L246-F251 PolarHBondContact O-N 3.4Å; L246-V314 HydrophobicContact CD2-CG2 3.97Å
247T91.2Very high87Confident17 Ų1737.9 Ų37.910%0.10419%0.188CC..Iπ-helixtrans-81-30.1-172.256.60000114.6D227 Y243 K244 Y245 F251 P252D227-T247 HydrophobicContact CB-CG2 4.22Å; Y243-T247 HydrophobicContact CD1-CG2 4.36Å; Y243-T247 HydrophobicContact CD2-CG2 4.16Å; Y243-T247 HydrophobicContact CE1-CG2 3.99Å; Y243-T247 HydrophobicContact CE2-CG2 3.78Å; Y243-T247 HydrophobicContact CG-CG2 4.44Å; Y243-T247 WeakPolarHBondContact O-CB 3.41Å; Y243-T247 WeakPolarHBondContact O-CG2 3.09Å; Y243-T247 PolarHBondContact O-N 2.79Å; Y243-T247 PolarHBondContact O-OG1 3.48Å; K244-T247 PolarHBondContact O-N 3.42Å; K244-T247 PolarHBondContact O-OG1 3.35Å; Y245-T247 PolarHBondContact O-N 2.95Å; T247-F251 HydrophobicContact CG2-CD2 4.49Å; T247-P252 WeakPolarHBondContact O-CD 3.11Å; T247-P252 WeakPolarHBondContact O-CG 3.45Å
248T87.4Confident85.1Confident52 Ų5237.8 Ų37.832%0.31918%0.184SC..Iπ-helixtrans-99.7-23.6-178.772.70000113.6K244K244-T248 HydrophobicContact CD-CG2 3.71Å; K244-T248 HydrophobicContact CG-CG2 4.17Å; K244-T248 WeakPolarHBondContact O-CB 3.38Å; K244-T248 WeakPolarHBondContact O-CG2 3.48Å; K244-T248 PolarHBondContact O-N 2.84Å; K244-T248 PolarHBondContact O-OG1 2.85Å
249S89.3Confident82.8Confident13 Ų1343.8 Ų43.89%0.09122%0.215CC..Iπ-helixtrans-117.9-54.5-175.1-64.10000113.1Y245 R253Y245-S249 WeakPolarHBondContact O-CA 3.37Å; Y245-S249 VanDerWaalsContact O-CB 3.26Å; Y245-S249 WeakPolarHBondContact O-CB 3.39Å; Y245-S249 PolarHBondContact O-N 3.16Å; S249-R253 WeakPolarHBondContact O-CD 3.49Å; S249-R253 WeakPolarHBondContact O-CG 3.18Å; S249-R253 PolarHBondContact O-NE 3.46Å
250L92.1Very high80.2Confident8 Ų847 Ų474%0.04224%0.242CC..Iπ-helixtrans-75.3-61.3-170.1-172.167.3000112.2Y245 L246 R253 H254 T282 V314Y245-L250 HydrophobicContact CE1-CB 4.08Å; Y245-L250 HydrophobicContact CE1-CD2 4.33Å; Y245-L250 PolarHBondContact O-N 2.9Å; L246-L250 HydrophobicContact CD2-CB 4.44Å; L246-L250 HydrophobicContact CD2-CD2 3.61Å; L246-L250 PolarHBondContact O-N 2.91Å; L250-R253 PolarHBondContact O-N 3.32Å; L250-H254 PolarHBondContact O-CD2 3.49Å; L250-T282 HydrophobicContact CD1-CG2 3.96Å; L250-T282 HydrophobicContact CD2-CG2 4.14Å; L250-V314 HydrophobicContact CD2-CB 3.84Å; L250-V314 HydrophobicContact CD2-CG1 3.88Å; L250-V314 HydrophobicContact CD2-CG2 3.56Å
251F91.2Very high77.7Confident2 Ų247.4 Ų47.41%0.00926%0.264CS..Hα-helixtrans-60.1-45.1-174.2-57.6-31.3000113.5L224 D227 L246 T247 R253 H254 S255 L281 V314 A321L224-F251 HydrophobicContact CD2-CE2 4.04Å; L224-F251 HydrophobicContact CD2-CZ 4.29Å; D227-F251 HydrophobicContact CB-CD2 4.03Å; D227-F251 HydrophobicContact CB-CE2 4.31Å; D227-F251 WeakPolarHBondContact OD1-CD2 3.4Å; L246-F251 HydrophobicContact CB-CD2 4.3Å; L246-F251 HydrophobicContact CB-CE1 4.46Å; L246-F251 HydrophobicContact CB-CE2 3.79Å; L246-F251 HydrophobicContact CB-CZ 3.88Å; L246-F251 HydrophobicContact CD1-CZ 4.33Å; L246-F251 HydrophobicContact CD2-CE1 4.23Å; L246-F251 HydrophobicContact CD2-CZ 4.19Å; L246-F251 HydrophobicContact CG-CZ 4.35Å; L246-F251 WeakPolarHBondContact O-CB 3.46Å; L246-F251 WeakPolarHBondContact O-CD2 3.29Å; L246-F251 VanDerWaalsContact O-CG 3.29Å; L246-F251 WeakPolarHBondContact O-CG 3.36Å; L246-F251 PolarHBondContact O-N 3.4Å; T247-F251 HydrophobicContact CG2-CD2 4.49Å; F251-R253 VanDerWaalsContact C-N 3.29Å; F251-R253 PolarHBondContact O-N 3.41Å; F251-H254 CarbonylContact O-C 3.55Å; F251-H254 PolarHBondContact O-N 3.01Å; F251-S255 PolarHBondContact O-N 3.18Å; F251-S255 PolarHBondContact O-OG 3.01Å; F251-L281 HydrophobicContact CD1-CD1 3.89Å; F251-L281 HydrophobicContact CE1-CD1 4.09Å; F251-V314 HydrophobicContact CE1-CG1 4.01Å; F251-A321 HydrophobicContact CE1-CB 4.04Å; F251-A321 HydrophobicContact CZ-CB 3.91Å
252P86.3Confident74.9Confident12 Ų1257.2 Ų57.28%0.07830%0.3CS..Hα-helixtrans-60.1-36.9-179.3-2737000113.9T247 H254 S255 E256 A396T247-P252 WeakPolarHBondContact O-CD 3.11Å; T247-P252 WeakPolarHBondContact O-CG 3.45Å; P252-H254 PolarHBondContact O-N 3.44Å; P252-H254 VanDerWaalsContact O-N 3.16Å; P252-S255 PolarHBondContact O-N 3.43Å; P252-S255 VanDerWaalsContact O-N 3.15Å; P252-E256 PolarHBondContact O-N 2.97Å; P252-A396 HydrophobicContact CB-CB 3.2Å; P252-A396 HydrophobicContact CG-CB 3.76Å
253R82.3Confident72Confident147 Ų14763.9 Ų63.956%0.55534%0.336SS*.Hα-helixtrans-61.1-24176.4-71.8173.8-171.9179.34.2113S249 L250 F251S249-R253 WeakPolarHBondContact O-CD 3.49Å; S249-R253 WeakPolarHBondContact O-CG 3.18Å; S249-R253 PolarHBondContact O-NE 3.46Å; L250-R253 PolarHBondContact O-N 3.32Å; F251-R253 VanDerWaalsContact C-N 3.29Å; F251-R253 PolarHBondContact O-N 3.41Å
254H79.3Confident68.9Low53 Ų5367.6 Ų67.625%0.24536%0.363CS..Hα-helixtrans-102.8-10.2179.6-63.1-70.9000113.7L250 F251 P252 L281L250-H254 PolarHBondContact O-CD2 3.49Å; F251-H254 CarbonylContact O-C 3.55Å; F251-H254 PolarHBondContact O-N 3.01Å; P252-H254 PolarHBondContact O-N 3.44Å; P252-H254 VanDerWaalsContact O-N 3.16Å; H254-L281 HydrophobicContact CB-CD2 4.13Å
255S69.8Low66.2Low27 Ų2771 Ų7119%0.18939%0.391CS..Hα-helixtrans-101.8-32.5179.9-70.40000114.2F251 P252 P257 E258 L259F251-S255 PolarHBondContact O-N 3.18Å; F251-S255 PolarHBondContact O-OG 3.01Å; P252-S255 PolarHBondContact O-N 3.43Å; P252-S255 VanDerWaalsContact O-N 3.15Å; S255-P257 VanDerWaalsContact C-CD 3.42Å; S255-P257 VanDerWaalsContact C-N 3.34Å; S255-E258 PolarHBondContact O-N 2.99Å; S255-E258 VanDerWaalsContact O-N 3.09Å; S255-L259 PolarHBondContact O-N 2.91Å
256E56.5Low63.2Low94 Ų9477.2 Ų77.244%0.43943%0.425SS..Hα-helixtrans-57.1-36.8174.8-75-176.7165.300114.2P252 E258P252-E256 PolarHBondContact O-N 2.97Å; E256-E258 VanDerWaalsContact C-N 3.33Å; E256-E258 PolarHBondContact O-N 3.33Å
257P52.1Low60.8Low77 Ų7788 Ų8850%0.547%0.465SS..Hα-helixtrans-64.8-33.6173.4-21.233.4000113.7S255S255-P257 VanDerWaalsContact C-CD 3.42Å; S255-P257 VanDerWaalsContact C-N 3.34Å
258E51.3Low58.1Low108 Ų10892.9 Ų92.951%0.50550%0.497SS..Hα-helixtrans-73.6-31-176.3-63.4176.8159.900112.2S255 E256 R279S255-E258 PolarHBondContact O-N 2.99Å; S255-E258 VanDerWaalsContact O-N 3.09Å; E256-E258 VanDerWaalsContact C-N 3.33Å; E256-E258 PolarHBondContact O-N 3.33Å; E258-R279 IonicContact OE1-CZ 2.76Å; E258-R279 IonicContact OE1-NH2 3.53Å; E258-R279 PolarHBondContact OE1-NH2 3.45Å
259L45.4Very low55.7Low136 Ų13696.7 Ų96.771%0.71251%0.511SS*.Hα-helixtrans-84.9-23.7-177.2-75.8158.6000114S255 G261S255-L259 PolarHBondContact O-N 2.91Å; L259-G261 PolarHBondContact O-N 2.94Å; L259-G261 VanDerWaalsContact O-N 3.11Å
260A41.8Very low53.6Low70 Ų70102.7 Ų102.758%0.57955%0.547SS*.SBendtrans-74.85.5-173.400000114.8R262A260-R262 PolarHBondContact O-N 3.43Å
261G43Very low51.2Low67 Ų67104.5 Ų104.569%0.69156%0.558SS**  trans57.717.9175.900000114.4L259 D263L259-G261 PolarHBondContact O-N 2.94Å; L259-G261 VanDerWaalsContact O-N 3.11Å; G261-D263 PolarHBondContact O-N 3.47Å
262R35.9Very low49.1Very low231 Ų231106 Ų10687%0.87257%0.574SS**  trans-76.95174.8-95.4-169.6174.9-174.5-0.1113.3A260A260-R262 PolarHBondContact O-N 3.43Å
263D37.2Very low47.5Very low141 Ų141108 Ų10875%0.75458%0.584SS**  trans-106.680169.8-69.7-34.6000110.4G261G261-D263 PolarHBondContact O-N 3.47Å
264S31.4Very low46.3Very low90 Ų90109.8 Ų109.863%0.62960%0.604SS**  trans-69.1148.2152.7-154.80000108.2L266S264-L266 PolarHBondContact O-N 2.95Å
265P35.7Very low45.9Very low124 Ų124114.6 Ų114.681%0.80563%0.631SS**SBendtrans-75.640.9-164.830.2-34.6000115.3
266L33.9Very low46.7Very low153 Ų153114 Ų11480%0.80163%0.625SS**  trans-135.852.6-174-72.9159.7000112.8S264S264-L266 PolarHBondContact O-N 2.95Å
267R43.5Very low48.1Very low227 Ų227117.9 Ų117.986%0.85764%0.637SS**  trans54.6153139.3-92.2-175.7172.1178-2.1121.1
268P35.8Very low50Low119 Ų119114.8 Ų114.877%0.77362%0.619SS**SBendcis-130.8145.245.427.8-5.7000116
269E36.8Very low51.9Low132 Ų132114 Ų11462%0.61761%0.611SS**  trans72.972.3164.9-60.1-171.2-17600118.8T271E269-T271 HydrophobicContact CB-CG2 3.84Å; E269-T271 HydrophobicContact CG-CG2 3.81Å; E269-T271 PolarHBondContact O-N 3.47Å; E269-T271 VanDerWaalsContact OE2-CG2 3.24Å; E269-T271 WeakPolarHBondContact OE2-CG2 3.48Å
270V44.2Very low54.2Low138 Ų138108.7 Ų108.784%0.83658%0.582SS**  -61.983.5122.3-178.70000105.9G272V270-G272 PolarHBondContact O-N 2.97Å
271T42.7Very low56.6Low46 Ų46106.1 Ų106.128%0.28256%0.559SS.*  trans-75.216.2161.2270000111.2E269 N286 K288E269-T271 HydrophobicContact CB-CG2 3.84Å; E269-T271 HydrophobicContact CG-CG2 3.81Å; E269-T271 PolarHBondContact O-N 3.47Å; E269-T271 VanDerWaalsContact OE2-CG2 3.24Å; E269-T271 WeakPolarHBondContact OE2-CG2 3.48Å; T271-N286 PolarHBondContact OG1-ND2 3.19Å; T271-K288 PolarHBondContact O-NZ 2.83Å; T271-K288 VanDerWaalsContact O-NZ 3.11Å
272G46.3Very low59Low33 Ų33103.3 Ų103.334%0.3453%0.528SS..SBendtrans-52.1140.1169.200000110.6V270 L274V270-G272 PolarHBondContact O-N 2.97Å; G272-L274 PolarHBondContact O-N 3.41Å
273N51.9Low61.4Low54 Ų5493.1 Ų93.129%0.28950%0.495SS..  trans-50126.3163.9-80.2-21.1000108.3L275 H276 D341N273-L275 PolarHBondContact O-N 3.23Å; N273-H276 PolarHBondContact ND2-NE2 3.49Å; N273-H276 PolarHBondContact O-N 3.3Å; N273-H276 VanDerWaalsContact O-O 3.1Å; N273-D341 PolarHBondContact ND2-OD2 3.21Å
274L58.5Low63.7Low185 Ų18586.5 Ų86.597%0.96946%0.46SS*.THydrogen-bonded Turntrans-60.7-3.2175.2-70.9166.3000112.9G272G272-L274 PolarHBondContact O-N 3.41Å
275L70.1Confident65.9Low154 Ų15487.3 Ų87.381%0.80647%0.472SS*.THydrogen-bonded Turntrans-99-24.9-173-62.9163.3000113.2N273N273-L275 PolarHBondContact O-N 3.23Å
276H85.9Confident68.1Low15 Ų1583 Ų837%0.06944%0.442CS..  trans-156.5161.7-176.961.482.1000113.6N273 G278 Y315 D341 G345 P346N273-H276 PolarHBondContact ND2-NE2 3.49Å; N273-H276 PolarHBondContact O-N 3.3Å; N273-H276 VanDerWaalsContact O-O 3.1Å; H276-G278 PolarHBondContact ND1-N 3.37Å; H276-Y315 PolarHBondContact CE1-OH 3.1Å; H276-Y315 VanDerWaalsContact CE1-OH 3.3Å; H276-D341 IonicContact CE1-OD1 2.76Å; H276-D341 PolarHBondContact CE1-OD1 3.36Å; H276-D341 IonicContact CE1-OD2 3.5Å; H276-D341 IonicContact NE2-OD2 3.99Å; H276-G345 WeakPolarHBondContact ND1-CA 3.41Å; H276-P346 HydrophobicContact CB-CG 4.43Å
277Y87.6Confident70.4Confident176 Ų17676.9 Ų76.969%0.6941%0.41SS*.  trans-92.67.5-178.3-67.9-78.1000114.2M318 T349Y277-M318 HydrophobicContact CD2-CG 4.34Å; Y277-M318 HydrophobicContact CD2-SD 4.42Å; Y277-M318 HydrophobicContact CG-CG 4.31Å; Y277-T349 HydrophobicContact CD2-CG2 3.65Å; Y277-T349 HydrophobicContact CG-CG2 4.49Å; Y277-T349 PolarHBondContact N-OG1 3.07Å; Y277-T349 VanDerWaalsContact N-OG1 3.15Å
278G90.9Very high72.2Confident11 Ų1171.9 Ų71.911%0.11340%0.395CS..EExtended strand (participates in β ladder)trans-68.3141.8-179.900000114.9H276 Y315 K316H276-G278 PolarHBondContact ND1-N 3.37Å; G278-Y315 VanDerWaalsContact CA-CE1 3.42Å; G278-Y315 VanDerWaalsContact CA-OH 3.24Å; G278-Y315 WeakPolarHBondContact CA-OH 3.48Å; G278-Y315 PolarHBondContact O-OH 3.2Å; G278-K316 CarbonylContact C-O 3.55Å; G278-K316 WeakPolarHBondContact CA-O 3.45Å
279R91.8Very high74.4Confident93 Ų9369.4 Ų69.435%0.35138%0.375SS..EExtended strand (participates in β ladder)trans-152.6152.8176.165.6-178.5-177.8125.6-6.3112.7E258 Y315 K316E258-R279 IonicContact OE1-CZ 2.76Å; E258-R279 IonicContact OE1-NH2 3.53Å; E258-R279 PolarHBondContact OE1-NH2 3.45Å; R279-Y315 CarbonylContact O-C 3.45Å; R279-Y315 WeakPolarHBondContact O-CA 3.34Å; R279-K316 PolarHBondContact N-O 2.87Å; R279-K316 PolarHBondContact O-N 3.3Å
280F93.4Very high76.4Confident23 Ų2368.5 Ų68.510%0.10138%0.38CS..EExtended strand (participates in β ladder)trans-78130.7170.9-66-91.9000111.1P284 L287 I313 Y315 C337 L340 D341F280-P284 HydrophobicContact CD2-CG 4.37Å; F280-P284 HydrophobicContact CG-CG 4.5Å; F280-L287 HydrophobicContact CE2-CD1 3.71Å; F280-L287 HydrophobicContact CE2-CD2 4.27Å; F280-L287 HydrophobicContact CE2-CG 4.07Å; F280-I313 HydrophobicContact CD1-CG2 3.79Å; F280-I313 HydrophobicContact CE1-CG2 3.82Å; F280-Y315 AromaticContact CD1-CD2 3.88Å; F280-Y315 HydrophobicContact CD1-CD2 3.88Å; F280-Y315 AromaticContact CD2-CD2 3.98Å; F280-Y315 HydrophobicContact CD2-CD2 3.98Å; F280-Y315 AromaticContact CD2-CE2 3.88Å; F280-Y315 HydrophobicContact CD2-CE2 3.88Å; F280-Y315 AromaticContact CE1-CD2 3.83Å; F280-Y315 HydrophobicContact CE1-CD2 3.83Å; F280-Y315 HydrophobicContact CE1-CE2 4.37Å; F280-Y315 AromaticContact CE2-CD2 3.9Å; F280-Y315 HydrophobicContact CE2-CD2 3.9Å; F280-Y315 AromaticContact CE2-CE2 3.62Å; F280-Y315 HydrophobicContact CE2-CE2 3.62Å; F280-Y315 AromaticContact CG-CD2 3.96Å; F280-Y315 HydrophobicContact CG-CD2 3.96Å; F280-Y315 HydrophobicContact CG-CE2 4.33Å; F280-Y315 AromaticContact CZ-CD2 3.83Å; F280-Y315 HydrophobicContact CZ-CD2 3.83Å; F280-Y315 AromaticContact CZ-CE2 3.9Å; F280-Y315 HydrophobicContact CZ-CE2 3.9Å; F280-C337 HydrophobicContact CE1-CB 4.49Å; F280-C337 HydrophobicContact CZ-CB 4Å; F280-L340 HydrophobicContact CE1-CD2 3.91Å; F280-L340 HydrophobicContact CZ-CD2 3.88Å; F280-D341 HydrophobicContact CE2-CB 4.17Å; F280-D341 HydrophobicContact CZ-CB 4.43Å
281L92.5Very high78.2Confident16 Ų1670.1 Ų70.18%0.08438%0.379CS..SBendtrans-92.3-32.6165.3-58.6-170.1000111.3F251 H254 V314 K316F251-L281 HydrophobicContact CD1-CD1 3.89Å; F251-L281 HydrophobicContact CE1-CD1 4.09Å; H254-L281 HydrophobicContact CB-CD2 4.13Å; L281-V314 HydrophobicContact CB-CB 4.17Å; L281-V314 HydrophobicContact CB-CG1 4.15Å; L281-V314 HydrophobicContact CD1-CG1 3.93Å; L281-V314 HydrophobicContact CG-CG1 4.32Å; L281-V314 PolarHBondContact N-O 3.4Å; L281-K316 HydrophobicContact CD1-CB 3.96Å; L281-K316 HydrophobicContact CD1-CD 3.98Å; L281-K316 HydrophobicContact CD2-CB 4.15Å; L281-K316 HydrophobicContact CD2-CD 4.45Å; L281-K316 HydrophobicContact CG-CB 3.9Å
282T92.1Very high79.9Confident8 Ų868.6 Ų68.65%0.04937%0.371CS..SBendtrans-120.2137.7167.762.70000109.1L250 P297 L312 I313 V314L250-T282 HydrophobicContact CD1-CG2 3.96Å; L250-T282 HydrophobicContact CD2-CG2 4.14Å; T282-P297 HydrophobicContact CG2-CG 3.82Å; T282-L312 PolarHBondContact OG1-O 3.05Å; T282-I313 VanDerWaalsContact OG1-CA 3.28Å; T282-I313 WeakPolarHBondContact OG1-CA 3.26Å; T282-V314 HydrophobicContact CG2-CB 4.37Å; T282-V314 HydrophobicContact CG2-CG2 4.26Å; T282-V314 PolarHBondContact N-O 3.03Å; T282-V314 PolarHBondContact OG1-N 2.95Å
283G87.1Confident81.5Confident18 Ų1874.4 Ų74.419%0.18639%0.387CS..SBendtrans108-153.9-170.100000113.4R295G283-R295 WeakPolarHBondContact CA-O 3.37Å; G283-R295 PolarHBondContact N-O 3Å
284P85.3Confident83Confident2 Ų274.5 Ų74.51%0.01339%0.385CS..  trans-72.1130.3-174.130.3-35.7000111.5F280 N286 L287 A292 F294 C337F280-P284 HydrophobicContact CD2-CG 4.37Å; F280-P284 HydrophobicContact CG-CG 4.5Å; P284-N286 VanDerWaalsContact C-N 3.33Å; P284-L287 HydrophobicContact CB-CD2 4.31Å; P284-L287 HydrophobicContact CG-CD2 3.54Å; P284-L287 HydrophobicContact CG-CG 4.3Å; P284-A292 HydrophobicContact CB-CB 4.29Å; P284-F294 HydrophobicContact CB-CD1 4.15Å; P284-F294 HydrophobicContact CB-CD2 4.39Å; P284-F294 HydrophobicContact CB-CE1 3.84Å; P284-F294 HydrophobicContact CB-CE2 4.06Å; P284-F294 HydrophobicContact CB-CG 4.4Å; P284-F294 HydrophobicContact CB-CZ 3.77Å; P284-F294 HydrophobicContact CG-CD1 3.92Å; P284-F294 HydrophobicContact CG-CE1 3.52Å; P284-F294 HydrophobicContact CG-CZ 3.91Å; P284-C337 HydrophobicContact CG-CB 4.43Å
285A78.9Confident84.3Confident106 Ų10674.3 Ų74.388%0.87637%0.371SS*.SBendtrans-68.4-33.6176.400000112.5
286N80.6Confident85.4Confident35 Ų3568.2 Ų68.219%0.18734%0.338CS..  trans-140114.2176.3-175.3-6.2000109.6T271 P284 K288 D289 A292T271-N286 PolarHBondContact OG1-ND2 3.19Å; P284-N286 VanDerWaalsContact C-N 3.33Å; N286-K288 PolarHBondContact O-N 3.32Å; N286-K288 WeakPolarHBondContact OD1-CB 3.44Å; N286-K288 PolarHBondContact OD1-N 3.11Å; N286-D289 HydrophobicContact CB-CB 4.08Å; N286-D289 PolarHBondContact O-N 2.9Å; N286-A292 WeakPolarHBondContact O-CB 3.31Å
287L83Confident85.8Confident24 Ų2469 Ų6913%0.12635%0.345CS..THydrogen-bonded Turntrans-66.5-21.4177.7-76.7175.5000113.5F280 P284 F294 R334 C337 E338 D341F280-L287 HydrophobicContact CE2-CD1 3.71Å; F280-L287 HydrophobicContact CE2-CD2 4.27Å; F280-L287 HydrophobicContact CE2-CG 4.07Å; P284-L287 HydrophobicContact CB-CD2 4.31Å; P284-L287 HydrophobicContact CG-CD2 3.54Å; P284-L287 HydrophobicContact CG-CG 4.3Å; L287-F294 HydrophobicContact CD2-CE1 4.45Å; L287-F294 HydrophobicContact CD2-CZ 4.43Å; L287-R334 PolarHBondContact O-NH1 2.98Å; L287-C337 HydrophobicContact CD2-CB 3.59Å; L287-E338 HydrophobicContact CD2-CG 4.44Å; L287-D341 HydrophobicContact CD1-CB 3.58Å
288K80.4Confident86.2Confident122 Ų12265.3 Ų65.353%0.5333%0.333SS..THydrogen-bonded Turntrans-85.2-15.3-179.2-62.4172.7-178.8157.30112.9T271 N286 P290T271-K288 PolarHBondContact O-NZ 2.83Å; T271-K288 VanDerWaalsContact O-NZ 3.11Å; N286-K288 PolarHBondContact O-N 3.32Å; N286-K288 WeakPolarHBondContact OD1-CB 3.44Å; N286-K288 PolarHBondContact OD1-N 3.11Å; K288-P290 VanDerWaalsContact O-CD 3.32Å; K288-P290 WeakPolarHBondContact O-CD 3.45Å
289D82.8Confident86.5Confident67 Ų6764.8 Ų64.836%0.35833%0.327SS..  trans-79.7115.9178.1174.311.6000109.9N286 E291 A292 R334N286-D289 HydrophobicContact CB-CB 4.08Å; N286-D289 PolarHBondContact O-N 2.9Å; D289-E291 PolarHBondContact O-N 3.49Å; D289-E291 PolarHBondContact OD1-N 3.44Å; D289-A292 HydrophobicContact CB-CB 4.14Å; D289-A292 VanDerWaalsContact O-CB 3.24Å; D289-A292 WeakPolarHBondContact O-CB 3.26Å; D289-A292 PolarHBondContact O-N 2.95Å; D289-R334 VanDerWaalsContact O-CZ 3.25Å; D289-R334 PolarHBondContact O-NH1 2.76Å; D289-R334 PolarHBondContact O-NH2 3.05Å
290P78.3Confident86.6Confident113 Ų11361.1 Ų61.173%0.73431%0.314SS*.THydrogen-bonded Turntrans-60.7-27.9177.9-21.233.8000113.5K288 R334K288-P290 VanDerWaalsContact O-CD 3.32Å; K288-P290 WeakPolarHBondContact O-CD 3.45Å; P290-R334 VanDerWaalsContact C-NH2 3.33Å; P290-R334 PolarHBondContact O-NH2 3.48Å
291E81.3Confident86.7Confident171 Ų17160.1 Ų60.180%0.79931%0.309SS*.THydrogen-bonded Turntrans-93.24.7-179.4-60.9-163.2147.600113.5D289 K293D289-E291 PolarHBondContact O-N 3.49Å; D289-E291 PolarHBondContact OD1-N 3.44Å; E291-K293 PolarHBondContact O-N 3.47Å
292A78.8Confident86.5Confident15 Ų1560.9 Ų60.912%0.12432%0.316CS..  trans-54128.3179.800000111.6P284 N286 D289 F294P284-A292 HydrophobicContact CB-CB 4.29Å; N286-A292 WeakPolarHBondContact O-CB 3.31Å; D289-A292 HydrophobicContact CB-CB 4.14Å; D289-A292 VanDerWaalsContact O-CB 3.24Å; D289-A292 WeakPolarHBondContact O-CB 3.26Å; D289-A292 PolarHBondContact O-N 2.95Å; A292-F294 HydrophobicContact CB-CE2 4.11Å; A292-F294 WeakPolarHBondContact O-CD2 3.41Å; A292-F294 WeakPolarHBondContact O-CE2 3.28Å
293K79.8Confident86.1Confident154 Ų15462.1 Ų62.167%0.6733%0.327SS*.  trans-82.1119.5175.7-68.2179.1-177.7171.20110.2E291 R295E291-K293 PolarHBondContact O-N 3.47Å; K293-R295 PolarHBondContact O-N 2.79Å
294F84Confident85.6Confident56 Ų5670.9 Ų70.925%0.24636%0.363CS..  trans-86.1101.2175.4-71.4-110.9000108.5P284 L287 A292 F296 R334 C337P284-F294 HydrophobicContact CB-CD1 4.15Å; P284-F294 HydrophobicContact CB-CD2 4.39Å; P284-F294 HydrophobicContact CB-CE1 3.84Å; P284-F294 HydrophobicContact CB-CE2 4.06Å; P284-F294 HydrophobicContact CB-CG 4.4Å; P284-F294 HydrophobicContact CB-CZ 3.77Å; P284-F294 HydrophobicContact CG-CD1 3.92Å; P284-F294 HydrophobicContact CG-CE1 3.52Å; P284-F294 HydrophobicContact CG-CZ 3.91Å; L287-F294 HydrophobicContact CD2-CE1 4.45Å; L287-F294 HydrophobicContact CD2-CZ 4.43Å; A292-F294 HydrophobicContact CB-CE2 4.11Å; A292-F294 WeakPolarHBondContact O-CD2 3.41Å; A292-F294 WeakPolarHBondContact O-CE2 3.28Å; F294-F296 HydrophobicContact CB-CE2 3.91Å; F294-F296 HydrophobicContact CB-CZ 4.37Å; F294-F296 HydrophobicContact CD1-CE2 4.2Å; F294-F296 AromaticContact CD1-CZ 4Å; F294-F296 HydrophobicContact CD1-CZ 4Å; F294-R334 HydrophobicContact CE1-CB 4.22Å; F294-R334 HydrophobicContact CE2-CB 4.48Å; F294-R334 HydrophobicContact CZ-CB 3.79Å; F294-R334 HydrophobicContact CZ-CG 3.93Å; F294-C337 HydrophobicContact CE1-CB 3.98Å
295R86.1Confident85Confident181 Ų18178.9 Ų78.968%0.68341%0.406SS*.  trans-123.8110.1179.6-70.1-174.4177.1-176.1-2110.3G283 K293G283-R295 WeakPolarHBondContact CA-O 3.37Å; G283-R295 PolarHBondContact N-O 3Å; K293-R295 PolarHBondContact O-N 2.79Å
296F92.6Very high85.1Confident26 Ų2675.4 Ų75.411%0.11438%0.381CS..  trans-109.3123.2176.8-53.5-74.7000108.9F294 K298 H311 I313 L332F294-F296 HydrophobicContact CB-CE2 3.91Å; F294-F296 HydrophobicContact CB-CZ 4.37Å; F294-F296 HydrophobicContact CD1-CE2 4.2Å; F294-F296 AromaticContact CD1-CZ 4Å; F294-F296 HydrophobicContact CD1-CZ 4Å; F296-K298 PolarHBondContact O-N 3.33Å; F296-H311 HydrophobicContact CB-CB 4.07Å; F296-I313 HydrophobicContact CD1-CD1 4.32Å; F296-I313 HydrophobicContact CD1-CG1 3.71Å; F296-I313 HydrophobicContact CE1-CD1 4.01Å; F296-I313 HydrophobicContact CE1-CG1 3.84Å; F296-L332 HydrophobicContact CB-CD1 4.35Å; F296-L332 HydrophobicContact CD1-CD1 4.2Å; F296-L332 HydrophobicContact CD2-CB 4.05Å; F296-L332 HydrophobicContact CD2-CD1 3.46Å; F296-L332 VanDerWaalsContact CD2-CD1 3.46Å; F296-L332 HydrophobicContact CD2-CG 4.37Å; F296-L332 HydrophobicContact CE1-CD1 4.35Å; F296-L332 HydrophobicContact CE2-CB 3.57Å; F296-L332 HydrophobicContact CE2-CD1 3.66Å; F296-L332 HydrophobicContact CE2-CG 4.28Å; F296-L332 HydrophobicContact CG-CD1 3.73Å; F296-L332 HydrophobicContact CZ-CB 4.21Å; F296-L332 HydrophobicContact CZ-CD1 4.1Å
297P94.6Very high85.3Confident33 Ų3377.7 Ų77.721%0.21439%0.387CS..  trans-53.3134.1169.4-24.233.8000110F146 T282 L312F146-P297 HydrophobicContact CE1-CB 4.14Å; T282-P297 HydrophobicContact CG2-CG 3.82Å; P297-L312 PolarHBondContact O-N 3.26Å
298K95.5Very high85.7Confident98 Ų9877.9 Ų77.943%0.42639%0.388SS..EExtended strand (participates in β ladder)trans-89130.6169.1-69.8-171.7172.8-163.60108.3F146 F296 L310 H311 A328F146-K298 WeakPolarHBondContact CD1-O 3.27Å; F296-K298 PolarHBondContact O-N 3.33Å; K298-L310 CarbonylContact C-O 3.39Å; K298-L310 VanDerWaalsContact CA-O 3.3Å; K298-L310 WeakPolarHBondContact CA-O 3.32Å; K298-H311 VanDerWaalsContact CE-CE1 3.48Å; K298-H311 WeakPolarHBondContact CE-CE1 3.4Å; K298-A328 HydrophobicContact CD-CB 4.5Å
299I96.9Very high86.4Confident0 Ų074.9 Ų74.90%038%0.375CS..EExtended strand (participates in β ladder)trans-121154.2175.363.6171.4000110.5L145 F146 V301 L310 L312 M325L145-I299 HydrophobicContact CD1-CB 3.92Å; L145-I299 HydrophobicContact CD1-CG2 4.15Å; L145-I299 HydrophobicContact CG-CB 4.35Å; L145-I299 HydrophobicContact CG-CG2 4.16Å; L145-I299 CarbonylContact O-C 3.58Å; L145-I299 WeakPolarHBondContact O-CA 3.37Å; F146-I299 HydrophobicContact CD1-CG2 4.15Å; F146-I299 HydrophobicContact CE1-CG2 3.79Å; F146-I299 HydrophobicContact CZ-CG2 4.46Å; I299-V301 HydrophobicContact CD1-CG1 4.17Å; I299-L310 HydrophobicContact CG1-CB 4.01Å; I299-L310 PolarHBondContact N-O 3.32Å; I299-L310 PolarHBondContact O-N 3.05Å; I299-L312 HydrophobicContact CD1-CB 4.13Å; I299-L312 HydrophobicContact CD1-CD1 4.3Å; I299-L312 HydrophobicContact CG1-CB 4.32Å; I299-L312 HydrophobicContact CG2-CB 4.17Å; I299-L312 HydrophobicContact CG2-CD2 4.21Å; I299-M325 HydrophobicContact CD1-CG 4.15Å
300F95.7Very high87Confident15 Ų1571.7 Ų71.77%0.06636%0.358CS..EExtended strand (participates in β ladder)trans-112125.3175-66.3-103.2000108L145 F146 N147 G148 E308 E309L145-F300 PolarHBondContact O-N 2.96Å; F146-F300 WeakPolarHBondContact O-CE2 3.49Å; N147-F300 VanDerWaalsContact C-CE2 3.45Å; G148-F300 VanDerWaalsContact N-CD2 3.27Å; F300-E308 WeakPolarHBondContact CA-O 3.5Å; F300-E309 HydrophobicContact CD1-CG 3.65Å; F300-E309 VanDerWaalsContact CE1-CD 3.49Å; F300-E309 HydrophobicContact CE1-CG 3.21Å; F300-E309 WeakPolarHBondContact CE1-OE1 3.35Å; F300-E309 HydrophobicContact CE2-CG 4.43Å; F300-E309 HydrophobicContact CG-CG 4.43Å; F300-E309 HydrophobicContact CZ-CG 3.65Å
301V93.9Very high87.9Confident2 Ų267.5 Ų67.51%0.01233%0.329CS..EExtended strand (participates in β ladder)trans-124.5156.9175.2-57.30000109.5Y220 L234 D238 I299 Y307 E308 L310Y220-V301 HydrophobicContact CE2-CG2 4.36Å; L234-V301 HydrophobicContact CD2-CG1 4.22Å; L234-V301 HydrophobicContact CD2-CG2 4.47Å; D238-V301 HydrophobicContact CB-CB 4.3Å; D238-V301 HydrophobicContact CB-CG1 4.3Å; I299-V301 HydrophobicContact CD1-CG1 4.17Å; V301-Y307 VanDerWaalsContact O-CA 3.32Å; V301-Y307 WeakPolarHBondContact O-CA 3.43Å; V301-E308 HydrophobicContact CG2-CG 3.41Å; V301-E308 VanDerWaalsContact CG2-CG 3.41Å; V301-E308 PolarHBondContact N-O 3.18Å; V301-E308 VanDerWaalsContact N-O 3.14Å; V301-E308 PolarHBondContact O-N 2.84Å; V301-L310 HydrophobicContact CB-CD1 4.5Å; V301-L310 HydrophobicContact CG1-CD1 4.29Å; V301-L310 HydrophobicContact CG2-CD1 3.38Å; V301-L310 HydrophobicContact CG2-CG 4.2Å
302S89.5Confident88.7Confident32 Ų3259.4 Ų59.422%0.22429%0.291CS..EExtended strand (participates in β ladder)trans-73.3142.2180-490000109.7D238D238-S302 PolarHBondContact OD1-N 2.77Å; D238-S302 PolarHBondContact OD1-OG 2.9Å; D238-S302 WeakPolarHBondContact OD2-CA 3.47Å; D238-S302 VanDerWaalsContact OD2-CB 3.29Å; D238-S302 WeakPolarHBondContact OD2-CB 3.26Å; D238-S302 PolarHBondContact OD2-N 2.95Å; D238-S302 PolarHBondContact OD2-OG 2.85Å
303A84.2Confident89.6Confident35 Ų3558.7 Ų58.729%0.28929%0.285SS..EExtended strand (participates in β ladder)trans-142.8166177.500000109.6D305 G306 E308A303-D305 PolarHBondContact O-N 2.95Å; A303-D305 VanDerWaalsContact O-N 3.13Å; A303-G306 PolarHBondContact N-O 3.27Å; A303-G306 PolarHBondContact O-N 3.37Å; A303-G306 VanDerWaalsContact O-O 3.09Å; A303-E308 HydrophobicContact CB-CB 4.46Å; A303-E308 HydrophobicContact CB-CG 4.27Å
304E75.9Confident90.4Very high201 Ų20151.3 Ų51.394%0.93925%0.253SS*.THydrogen-bonded Turntrans-51.7-39.6-176.2-66-177169.200113.4
305D72.3Confident91Very high171 Ų17148.7 Ų48.791%0.91424%0.241SC*.THydrogen-bonded Turntrans-10122.1-179.4-65.1-43.7000113.9A303A303-D305 PolarHBondContact O-N 2.95Å; A303-D305 VanDerWaalsContact O-N 3.13Å
306G80.9Confident91.4Very high33 Ų3341 Ų4134%0.3421%0.213SC..EExtended strand (participates in β ladder)trans124.8-110.5175.500000113.3A303A303-G306 PolarHBondContact N-O 3.27Å; A303-G306 PolarHBondContact O-N 3.37Å; A303-G306 VanDerWaalsContact O-O 3.09Å
307Y84Confident91.5Very high82 Ų8239.7 Ų39.732%0.32221%0.207SC..EExtended strand (participates in β ladder)trans-132134.9-178.1-62.7-81.9000111.8K144 T149 R152 V301K144-Y307 WeakPolarHBondContact CE-OH 3.1Å; K144-Y307 PolarHBondContact NZ-OH 3.48Å; T149-Y307 HydrophobicContact CG2-CE2 3.85Å; R152-Y307 PolarHBondContact NH1-O 2.96Å; V301-Y307 VanDerWaalsContact O-CA 3.32Å; V301-Y307 WeakPolarHBondContact O-CA 3.43Å
308E91.8Very high91.2Very high29 Ų2942.3 Ų42.314%0.13622%0.218CC..EExtended strand (participates in β ladder)trans-104.3146.5172.765.3179135.400112.2K219 Y220 F300 V301 A303 L310K219-E308 VanDerWaalsContact CD-OE2 3.28Å; K219-E308 WeakPolarHBondContact CD-OE2 3.35Å; K219-E308 WeakPolarHBondContact CE-OE2 3.36Å; K219-E308 IonicContact NZ-OE1 2.84Å; K219-E308 PolarHBondContact NZ-OE1 2.84Å; K219-E308 IonicContact NZ-OE2 2.75Å; K219-E308 PolarHBondContact NZ-OE2 3.28Å; Y220-E308 WeakPolarHBondContact CE2-OE1 3.21Å; Y220-E308 PolarHBondContact OH-OE1 2.88Å; F300-E308 WeakPolarHBondContact CA-O 3.5Å; V301-E308 HydrophobicContact CG2-CG 3.41Å; V301-E308 VanDerWaalsContact CG2-CG 3.41Å; V301-E308 PolarHBondContact N-O 3.18Å; V301-E308 VanDerWaalsContact N-O 3.14Å; V301-E308 PolarHBondContact O-N 2.84Å; A303-E308 HydrophobicContact CB-CB 4.46Å; A303-E308 HydrophobicContact CB-CG 4.27Å; E308-L310 HydrophobicContact CG-CD1 4.26Å; E308-L310 HydrophobicContact CG-CD2 4.26Å; E308-L310 HydrophobicContact CG-CG 4.14Å
309E95Very high91.1Very high58 Ų5839.7 Ų39.727%0.27121%0.212SC..EExtended strand (participates in β ladder)trans-96127.1175.1-72.3-176.9-147.500109.7R152 F300 A328R152-E309 IonicContact CZ-OE1 2.62Å; R152-E309 IonicContact NE-OE1 3.49Å; R152-E309 IonicContact NH2-OE1 2.77Å; R152-E309 PolarHBondContact NH2-OE1 3.35Å; F300-E309 HydrophobicContact CD1-CG 3.65Å; F300-E309 VanDerWaalsContact CE1-CD 3.49Å; F300-E309 HydrophobicContact CE1-CG 3.21Å; F300-E309 WeakPolarHBondContact CE1-OE1 3.35Å; F300-E309 HydrophobicContact CE2-CG 4.43Å; F300-E309 HydrophobicContact CG-CG 4.43Å; F300-E309 HydrophobicContact CZ-CG 3.65Å; E309-A328 HydrophobicContact CB-CB 3.66Å; E309-A328 VanDerWaalsContact O-CB 3.25Å; E309-A328 WeakPolarHBondContact O-CB 3.5Å; E309-A328 PolarHBondContact O-N 3.18Å
310L96.9Very high91Very high0 Ų039.7 Ų39.70%021%0.212CC..EExtended strand (participates in β ladder)trans-128.1143.3-177.7-56.4174.8000111.4Y220 K298 I299 V301 E308 M325 I326Y220-L310 HydrophobicContact CD2-CD1 3.74Å; Y220-L310 HydrophobicContact CE2-CD1 3.84Å; K298-L310 CarbonylContact C-O 3.39Å; K298-L310 VanDerWaalsContact CA-O 3.3Å; K298-L310 WeakPolarHBondContact CA-O 3.32Å; I299-L310 HydrophobicContact CG1-CB 4.01Å; I299-L310 PolarHBondContact N-O 3.32Å; I299-L310 PolarHBondContact O-N 3.05Å; V301-L310 HydrophobicContact CB-CD1 4.5Å; V301-L310 HydrophobicContact CG1-CD1 4.29Å; V301-L310 HydrophobicContact CG2-CD1 3.38Å; V301-L310 HydrophobicContact CG2-CG 4.2Å; E308-L310 HydrophobicContact CG-CD1 4.26Å; E308-L310 HydrophobicContact CG-CD2 4.26Å; E308-L310 HydrophobicContact CG-CG 4.14Å; L310-M325 HydrophobicContact CB-CB 4.19Å; L310-M325 HydrophobicContact CD1-CB 3.69Å; L310-M325 HydrophobicContact CD1-CG 4.43Å; L310-M325 HydrophobicContact CG-CB 4.45Å; L310-I326 CarbonylContact C-O 3.56Å; L310-I326 WeakPolarHBondContact CA-O 3.24Å
311H97.4Very high91.1Very high26 Ų2639.2 Ų39.212%0.1221%0.21CC..EExtended strand (participates in β ladder)trans-77.7128160.8-72.7-55.5000109.9F296 K298 M325 I326 L332F296-H311 HydrophobicContact CB-CB 4.07Å; K298-H311 VanDerWaalsContact CE-CE1 3.48Å; K298-H311 WeakPolarHBondContact CE-CE1 3.4Å; H311-M325 WeakPolarHBondContact O-CA 3.39Å; H311-I326 PolarHBondContact N-O 3.5Å; H311-I326 PolarHBondContact O-N 2.88Å; H311-I326 VanDerWaalsContact O-N 3.08Å; H311-L332 HydrophobicContact CB-CD1 3.61Å
312L97.6Very high91.3Very high0 Ų039.1 Ų39.10%021%0.21CC..EExtended strand (participates in β ladder)trans-96.6109.5175.2177.865.2000110.6L242 Y245 T282 P297 I299 V314 C323 M325L242-L312 HydrophobicContact CD1-CD1 4.28Å; L242-L312 HydrophobicContact CD1-CD2 3.68Å; L242-L312 HydrophobicContact CD2-CD1 4.49Å; Y245-L312 HydrophobicContact CD1-CD2 4.39Å; Y245-L312 HydrophobicContact CE1-CD2 4.03Å; T282-L312 PolarHBondContact OG1-O 3.05Å; P297-L312 PolarHBondContact O-N 3.26Å; I299-L312 HydrophobicContact CD1-CB 4.13Å; I299-L312 HydrophobicContact CD1-CD1 4.3Å; I299-L312 HydrophobicContact CG1-CB 4.32Å; I299-L312 HydrophobicContact CG2-CB 4.17Å; I299-L312 HydrophobicContact CG2-CD2 4.21Å; L312-V314 HydrophobicContact CD1-CG2 4.06Å; L312-V314 HydrophobicContact CD2-CG2 4.19Å; L312-V314 HydrophobicContact CG-CG2 3.88Å; L312-C323 HydrophobicContact CD1-CB 4.22Å; L312-M325 HydrophobicContact CD1-CE 3.66Å; L312-M325 HydrophobicContact CD1-CG 4.25Å
313I97.3Very high91.7Very high0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-98126168.6-53.6-175.2000108.3F280 T282 F296 C323 F324 I326 L332 F336 L340F280-I313 HydrophobicContact CD1-CG2 3.79Å; F280-I313 HydrophobicContact CE1-CG2 3.82Å; T282-I313 VanDerWaalsContact OG1-CA 3.28Å; T282-I313 WeakPolarHBondContact OG1-CA 3.26Å; F296-I313 HydrophobicContact CD1-CD1 4.32Å; F296-I313 HydrophobicContact CD1-CG1 3.71Å; F296-I313 HydrophobicContact CE1-CD1 4.01Å; F296-I313 HydrophobicContact CE1-CG1 3.84Å; I313-C323 CarbonylContact O-C 3.59Å; I313-C323 VanDerWaalsContact O-CA 3.28Å; I313-C323 WeakPolarHBondContact O-CA 3.3Å; I313-F324 HydrophobicContact CB-CB 4.29Å; I313-F324 HydrophobicContact CG2-CD2 4.39Å; I313-F324 PolarHBondContact N-O 3.45Å; I313-F324 PolarHBondContact O-N 3.44Å; I313-I326 HydrophobicContact CD1-CD1 3.65Å; I313-I326 HydrophobicContact CG1-CD1 4.42Å; I313-L332 HydrophobicContact CD1-CD1 4.01Å; I313-L332 HydrophobicContact CG1-CD1 4.33Å; I313-F336 HydrophobicContact CD1-CE1 3.81Å; I313-L340 HydrophobicContact CD1-CD1 4.24Å
314V97.3Very high92.4Very high0 Ų035.9 Ų35.90%019%0.185CC..EExtended strand (participates in β ladder)trans-118116.6174.3-1770000107.8L246 L250 F251 L281 T282 L312 C323L246-V314 HydrophobicContact CD2-CG2 3.97Å; L250-V314 HydrophobicContact CD2-CB 3.84Å; L250-V314 HydrophobicContact CD2-CG1 3.88Å; L250-V314 HydrophobicContact CD2-CG2 3.56Å; F251-V314 HydrophobicContact CE1-CG1 4.01Å; L281-V314 HydrophobicContact CB-CB 4.17Å; L281-V314 HydrophobicContact CB-CG1 4.15Å; L281-V314 HydrophobicContact CD1-CG1 3.93Å; L281-V314 HydrophobicContact CG-CG1 4.32Å; L281-V314 PolarHBondContact N-O 3.4Å; T282-V314 HydrophobicContact CG2-CB 4.37Å; T282-V314 HydrophobicContact CG2-CG2 4.26Å; T282-V314 PolarHBondContact N-O 3.03Å; T282-V314 PolarHBondContact OG1-N 2.95Å; L312-V314 HydrophobicContact CD1-CG2 4.06Å; L312-V314 HydrophobicContact CD2-CG2 4.19Å; L312-V314 HydrophobicContact CG-CG2 3.88Å; V314-C323 HydrophobicContact CG2-CB 4.46Å
315Y96.2Very high93.4Very high0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-116.8125.4-177.2-167.5-83.5000109.1H276 G278 R279 F280 A321 A322 L340 D341 V344 G345 L348H276-Y315 PolarHBondContact CE1-OH 3.1Å; H276-Y315 VanDerWaalsContact CE1-OH 3.3Å; G278-Y315 VanDerWaalsContact CA-CE1 3.42Å; G278-Y315 VanDerWaalsContact CA-OH 3.24Å; G278-Y315 WeakPolarHBondContact CA-OH 3.48Å; G278-Y315 PolarHBondContact O-OH 3.2Å; R279-Y315 CarbonylContact O-C 3.45Å; R279-Y315 WeakPolarHBondContact O-CA 3.34Å; F280-Y315 AromaticContact CD1-CD2 3.88Å; F280-Y315 HydrophobicContact CD1-CD2 3.88Å; F280-Y315 AromaticContact CD2-CD2 3.98Å; F280-Y315 HydrophobicContact CD2-CD2 3.98Å; F280-Y315 AromaticContact CD2-CE2 3.88Å; F280-Y315 HydrophobicContact CD2-CE2 3.88Å; F280-Y315 AromaticContact CE1-CD2 3.83Å; F280-Y315 HydrophobicContact CE1-CD2 3.83Å; F280-Y315 HydrophobicContact CE1-CE2 4.37Å; F280-Y315 AromaticContact CE2-CD2 3.9Å; F280-Y315 HydrophobicContact CE2-CD2 3.9Å; F280-Y315 AromaticContact CE2-CE2 3.62Å; F280-Y315 HydrophobicContact CE2-CE2 3.62Å; F280-Y315 AromaticContact CG-CD2 3.96Å; F280-Y315 HydrophobicContact CG-CD2 3.96Å; F280-Y315 HydrophobicContact CG-CE2 4.33Å; F280-Y315 AromaticContact CZ-CD2 3.83Å; F280-Y315 HydrophobicContact CZ-CD2 3.83Å; F280-Y315 AromaticContact CZ-CE2 3.9Å; F280-Y315 HydrophobicContact CZ-CE2 3.9Å; Y315-A321 CarbonylContact O-C 3.48Å; Y315-A321 WeakPolarHBondContact O-CA 3.43Å; Y315-A322 PolarHBondContact N-O 3.26Å; Y315-A322 PolarHBondContact O-N 3.21Å; Y315-L340 HydrophobicContact CD2-CD2 3.89Å; Y315-L340 HydrophobicContact CE2-CD2 4.33Å; Y315-L340 HydrophobicContact CG-CD2 4.33Å; Y315-D341 HydrophobicContact CE2-CB 4.43Å; Y315-D341 WeakPolarHBondContact CE2-OD1 3.3Å; Y315-D341 PolarHBondContact OH-OD1 3Å; Y315-V344 HydrophobicContact CD1-CG1 3.7Å; Y315-V344 HydrophobicContact CE1-CG1 3.99Å; Y315-V344 HydrophobicContact CG-CG1 4.31Å; Y315-G345 WeakPolarHBondContact OH-CA 3.2Å; Y315-L348 HydrophobicContact CD1-CD2 3.73Å; Y315-L348 HydrophobicContact CE1-CD2 4.26Å
316K94.3Very high94.6Very high19 Ų1918.2 Ų18.28%0.08310%0.097CC..EExtended strand (participates in β ladder)trans-118.3135.3-174.1-176.8167.9-179.3169.10110.4G278 R279 L281 M318 A320G278-K316 CarbonylContact C-O 3.55Å; G278-K316 WeakPolarHBondContact CA-O 3.45Å; R279-K316 PolarHBondContact N-O 2.87Å; R279-K316 PolarHBondContact O-N 3.3Å; L281-K316 HydrophobicContact CD1-CB 3.96Å; L281-K316 HydrophobicContact CD1-CD 3.98Å; L281-K316 HydrophobicContact CD2-CB 4.15Å; L281-K316 HydrophobicContact CD2-CD 4.45Å; L281-K316 HydrophobicContact CG-CB 3.9Å; K316-M318 WeakPolarHBondContact CE-O 3.47Å; K316-A320 WeakPolarHBondContact CA-O 3.33Å; K316-A320 WeakPolarHBondContact CG-O 3.33Å
317A93.4Very high95.2Very high0 Ų018.4 Ų18.40%09%0.093CC..EExtended strand (participates in β ladder)trans-133.4120.7167.100000108.9S319 A320 L348A317-S319 PolarHBondContact O-N 3.14Å; A317-S319 VanDerWaalsContact O-N 3.16Å; A317-A320 PolarHBondContact N-O 2.9Å; A317-A320 PolarHBondContact O-N 3.36Å; A317-L348 HydrophobicContact CB-CB 4.17Å; A317-L348 HydrophobicContact CB-CD2 3.81Å; A317-L348 HydrophobicContact CB-CG 3.83Å
318M90.1Very high95.7Very high87 Ų8715 Ų1543%0.4298%0.083SC..THydrogen-bonded Turntrans52.5-119.8-173.4-52.1172.869.600110.9Y277 K316 T349 A352Y277-M318 HydrophobicContact CD2-CG 4.34Å; Y277-M318 HydrophobicContact CD2-SD 4.42Å; Y277-M318 HydrophobicContact CG-CG 4.31Å; K316-M318 WeakPolarHBondContact CE-O 3.47Å; M318-T349 HydrophobicContact SD-CG2 4.32Å; M318-A352 HydrophobicContact CB-CB 4.08Å; M318-A352 HydrophobicContact SD-CB 4.13Å
319S91.6Very high95.8Very high44 Ų4420.8 Ų20.831%0.30811%0.114SC..THydrogen-bonded Turntrans-92.9-5.9179.3-60.10000113.8Y225 N226 A317Y225-S319 WeakPolarHBondContact CA-O 3.48Å; N226-S319 PolarHBondContact N-O 3.44Å; N226-S319 WeakPolarHBondContact OD1-CB 3.33Å; N226-S319 PolarHBondContact OD1-OG 2.94Å; A317-S319 PolarHBondContact O-N 3.14Å; A317-S319 VanDerWaalsContact O-N 3.16Å
320A96.1Very high95.6Very high0 Ų020.2 Ų20.20%012%0.115CC..EExtended strand (participates in β ladder)trans-92.9139.4178.400000111.1F223 L224 Y225 K316 A317 L348 A352F223-A320 HydrophobicContact CE1-CB 4.28Å; F223-A320 HydrophobicContact CZ-CB 3.95Å; L224-A320 CarbonylContact O-C 3.57Å; L224-A320 WeakPolarHBondContact O-CA 3.44Å; Y225-A320 HydrophobicContact CD2-CB 4.07Å; K316-A320 WeakPolarHBondContact CA-O 3.33Å; K316-A320 WeakPolarHBondContact CG-O 3.33Å; A317-A320 PolarHBondContact N-O 2.9Å; A317-A320 PolarHBondContact O-N 3.36Å; A320-L348 HydrophobicContact CB-CD1 3.74Å; A320-L348 HydrophobicContact CB-CG 4.12Å; A320-A352 HydrophobicContact CB-CB 3.72Å
321A97.4Very high95.3Very high4 Ų428.4 Ų28.43%0.03315%0.153CC..EExtended strand (participates in β ladder)trans-128126.9172.100000109.7L224 F251 Y315L224-A321 HydrophobicContact CB-CB 4.47Å; L224-A321 PolarHBondContact N-O 2.81Å; L224-A321 PolarHBondContact O-N 2.76Å; F251-A321 HydrophobicContact CE1-CB 4.04Å; F251-A321 HydrophobicContact CZ-CB 3.91Å; Y315-A321 CarbonylContact O-C 3.48Å; Y315-A321 WeakPolarHBondContact O-CA 3.43Å
322A98Very high94.9Very high0 Ų028 Ų280%015%0.152CC..EExtended strand (participates in β ladder)trans-106.7127.8170.500000108.7A222 Y315 F324 L348A222-A322 CarbonylContact O-C 3.55Å; A222-A322 WeakPolarHBondContact O-CA 3.46Å; Y315-A322 PolarHBondContact N-O 3.26Å; Y315-A322 PolarHBondContact O-N 3.21Å; A322-F324 HydrophobicContact CB-CE1 4.17Å; A322-F324 HydrophobicContact CB-CE2 3.91Å; A322-F324 HydrophobicContact CB-CZ 3.54Å; A322-L348 HydrophobicContact CB-CD1 4.32Å; A322-L348 HydrophobicContact CB-CD2 4.25Å
323C98.4Very high94.6Very high0 Ų030.8 Ų30.80%017%0.169CC..EExtended strand (participates in β ladder)trans-108.2127.7176.5-530000108T221 A222 L312 I313 V314 M325T221-C323 CarbonylContact C-O 3.6Å; T221-C323 VanDerWaalsContact CA-O 3.31Å; T221-C323 WeakPolarHBondContact CA-O 3.37Å; A222-C323 HydrophobicContact CB-CB 4.22Å; A222-C323 PolarHBondContact N-O 2.97Å; A222-C323 PolarHBondContact O-N 2.79Å; L312-C323 HydrophobicContact CD1-CB 4.22Å; I313-C323 CarbonylContact O-C 3.59Å; I313-C323 VanDerWaalsContact O-CA 3.28Å; I313-C323 WeakPolarHBondContact O-CA 3.3Å; V314-C323 HydrophobicContact CG2-CB 4.46Å; C323-M325 HydrophobicContact CB-CE 3.3Å
324F98Very high94.3Very high0 Ų033.3 Ų33.30%018%0.178CC..EExtended strand (participates in β ladder)trans-117129.1179-51.1-70.4000108.9V211 I218 T221 I313 A322 L340 V344V211-F324 HydrophobicContact CG1-CD1 4.23Å; V211-F324 HydrophobicContact CG1-CE1 3.64Å; V211-F324 HydrophobicContact CG1-CZ 4.24Å; I218-F324 HydrophobicContact CD1-CB 4.18Å; I218-F324 HydrophobicContact CD1-CD1 3.74Å; I218-F324 HydrophobicContact CD1-CE1 4.34Å; I218-F324 HydrophobicContact CD1-CG 4.02Å; I218-F324 HydrophobicContact CG1-CB 4.33Å; I218-F324 HydrophobicContact CG2-CB 4.26Å; I218-F324 HydrophobicContact CG2-CD1 4.15Å; T221-F324 HydrophobicContact CG2-CD1 3.93Å; T221-F324 HydrophobicContact CG2-CE1 3.83Å; I313-F324 HydrophobicContact CB-CB 4.29Å; I313-F324 HydrophobicContact CG2-CD2 4.39Å; I313-F324 PolarHBondContact N-O 3.45Å; I313-F324 PolarHBondContact O-N 3.44Å; A322-F324 HydrophobicContact CB-CE1 4.17Å; A322-F324 HydrophobicContact CB-CE2 3.91Å; A322-F324 HydrophobicContact CB-CZ 3.54Å; F324-L340 HydrophobicContact CD2-CD1 3.94Å; F324-L340 HydrophobicContact CD2-CD2 4.46Å; F324-L340 HydrophobicContact CE2-CD1 4.28Å; F324-L340 HydrophobicContact CE2-CD2 4.12Å; F324-L340 HydrophobicContact CE2-CG 4.43Å; F324-V344 HydrophobicContact CE2-CG1 4.18Å; F324-V344 HydrophobicContact CE2-CG2 4.13Å; F324-V344 HydrophobicContact CZ-CB 4.47Å; F324-V344 HydrophobicContact CZ-CG1 3.94Å; F324-V344 HydrophobicContact CZ-CG2 3.71Å
325M97.3Very high94.1Very high0 Ų038.6 Ų38.60%020%0.203CC..EExtended strand (participates in β ladder)trans-111.5122.3177.5-52.187.5-150.900109.6K219 Y220 A222 L234 L242 I299 L310 H311 L312 C323K219-M325 PolarHBondContact N-O 3.16Å; Y220-M325 HydrophobicContact CD2-CB 4.29Å; Y220-M325 PolarHBondContact N-O 3.45Å; Y220-M325 PolarHBondContact O-N 3.03Å; A222-M325 HydrophobicContact CB-CE 4.26Å; L234-M325 HydrophobicContact CD1-CE 4.41Å; L234-M325 HydrophobicContact CD1-SD 4.15Å; L234-M325 HydrophobicContact CG-SD 4.33Å; L242-M325 HydrophobicContact CD2-CE 3.73Å; I299-M325 HydrophobicContact CD1-CG 4.15Å; L310-M325 HydrophobicContact CB-CB 4.19Å; L310-M325 HydrophobicContact CD1-CB 3.69Å; L310-M325 HydrophobicContact CD1-CG 4.43Å; L310-M325 HydrophobicContact CG-CB 4.45Å; H311-M325 WeakPolarHBondContact O-CA 3.39Å; L312-M325 HydrophobicContact CD1-CE 3.66Å; L312-M325 HydrophobicContact CD1-CG 4.25Å; C323-M325 HydrophobicContact CB-CE 3.3Å
326I96.6Very high94Very high0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-123.5143.8-174.5-62.3165.1000108.3L217 I218 L310 H311 I313 A328 V330 L332 F336L217-I326 HydrophobicContact CB-CG2 4.05Å; L217-I326 WeakPolarHBondContact O-CG2 3.03Å; I218-I326 HydrophobicContact CG1-CD1 4.23Å; I218-I326 HydrophobicContact CG1-CG1 4.08Å; L310-I326 CarbonylContact C-O 3.56Å; L310-I326 WeakPolarHBondContact CA-O 3.24Å; H311-I326 PolarHBondContact N-O 3.5Å; H311-I326 PolarHBondContact O-N 2.88Å; H311-I326 VanDerWaalsContact O-N 3.08Å; I313-I326 HydrophobicContact CD1-CD1 3.65Å; I313-I326 HydrophobicContact CG1-CD1 4.42Å; I326-A328 PolarHBondContact O-N 3.19Å; I326-V330 HydrophobicContact CG2-CB 4.4Å; I326-L332 HydrophobicContact CB-CD2 4.38Å; I326-L332 HydrophobicContact CD1-CD2 3.61Å; I326-L332 HydrophobicContact CG2-CD2 3.91Å; I326-F336 HydrophobicContact CD1-CE1 3.47Å; I326-F336 VanDerWaalsContact CD1-CE1 3.47Å; I326-F336 HydrophobicContact CD1-CZ 3.41Å; I326-F336 VanDerWaalsContact CD1-CZ 3.41Å
327S95.6Very high94Very high37 Ų3738.3 Ų38.326%0.25920%0.202SC..EExtended strand (participates in β ladder)trans-51.9130.8177.4-177.30000112.2N329 V330S327-N329 PolarHBondContact O-N 2.86Å; S327-N329 VanDerWaalsContact O-N 3.14Å; S327-N329 PolarHBondContact OG-N 3.31Å; S327-V330 PolarHBondContact O-N 3.09Å; S327-V330 VanDerWaalsContact O-N 3.09Å
328A94Very high93.9Very high12 Ų1242.8 Ų42.810%0.09922%0.223CC..THydrogen-bonded Turntrans-69.3-6.6177.900000114K298 E309 I326 V330K298-A328 HydrophobicContact CD-CB 4.5Å; E309-A328 HydrophobicContact CB-CB 3.66Å; E309-A328 VanDerWaalsContact O-CB 3.25Å; E309-A328 WeakPolarHBondContact O-CB 3.5Å; E309-A328 PolarHBondContact O-N 3.18Å; I326-A328 PolarHBondContact O-N 3.19Å; A328-V330 VanDerWaalsContact C-N 3.27Å
329N92.6Very high94.2Very high150 Ų15044.4 Ų44.480%0.80223%0.229SC*.THydrogen-bonded Turntrans-80.3-11.3172.7-64.5-27.5000112.5S327S327-N329 PolarHBondContact O-N 2.86Å; S327-N329 VanDerWaalsContact O-N 3.14Å; S327-N329 PolarHBondContact OG-N 3.31Å
330V92.4Very high94.4Very high46 Ų4642.3 Ų42.328%0.27921%0.214SC..SBendtrans-97.5130.9179.6-178.40000109.5L217 I326 S327 A328 L332L217-V330 HydrophobicContact CD1-CG1 3.95Å; L217-V330 HydrophobicContact CD2-CG1 4.03Å; L217-V330 HydrophobicContact CD2-CG2 4.36Å; I326-V330 HydrophobicContact CG2-CB 4.4Å; S327-V330 PolarHBondContact O-N 3.09Å; S327-V330 VanDerWaalsContact O-N 3.09Å; A328-V330 VanDerWaalsContact C-N 3.27Å; V330-L332 PolarHBondContact O-N 2.88Å
331E89Confident94.3Very high171 Ų17143 Ų4380%0.79922%0.218SC*.  trans-77119171.5-170.5172.4-172.200110T333E331-T333 PolarHBondContact O-N 2.81Å
332L90.7Very high94.1Very high18 Ų1845.1 Ų45.19%0.09424%0.24CC..  trans-83.7108.3178.7-66175.8000110.1F296 H311 I313 I326 V330 F336F296-L332 HydrophobicContact CB-CD1 4.35Å; F296-L332 HydrophobicContact CD1-CD1 4.2Å; F296-L332 HydrophobicContact CD2-CB 4.05Å; F296-L332 HydrophobicContact CD2-CD1 3.46Å; F296-L332 VanDerWaalsContact CD2-CD1 3.46Å; F296-L332 HydrophobicContact CD2-CG 4.37Å; F296-L332 HydrophobicContact CE1-CD1 4.35Å; F296-L332 HydrophobicContact CE2-CB 3.57Å; F296-L332 HydrophobicContact CE2-CD1 3.66Å; F296-L332 HydrophobicContact CE2-CG 4.28Å; F296-L332 HydrophobicContact CG-CD1 3.73Å; F296-L332 HydrophobicContact CZ-CB 4.21Å; F296-L332 HydrophobicContact CZ-CD1 4.1Å; H311-L332 HydrophobicContact CB-CD1 3.61Å; I313-L332 HydrophobicContact CD1-CD1 4.01Å; I313-L332 HydrophobicContact CG1-CD1 4.33Å; I326-L332 HydrophobicContact CB-CD2 4.38Å; I326-L332 HydrophobicContact CD1-CD2 3.61Å; I326-L332 HydrophobicContact CG2-CD2 3.91Å; V330-L332 PolarHBondContact O-N 2.88Å; L332-F336 HydrophobicContact CD2-CD1 3.85Å; L332-F336 HydrophobicContact CD2-CE1 3.89Å
333T90.9Very high94Very high58 Ų5846.7 Ų46.736%0.35625%0.248SC..  trans-88.1169.6-17780.20000112.7E331 E335 F336 C337E331-T333 PolarHBondContact O-N 2.81Å; T333-E335 VanDerWaalsContact C-N 3.33Å; T333-E335 WeakPolarHBondContact CB-OE2 3.21Å; T333-E335 PolarHBondContact OG1-N 2.88Å; T333-E335 PolarHBondContact OG1-OE2 2.79Å; T333-F336 PolarHBondContact O-N 3.13Å; T333-F336 PolarHBondContact OG1-N 3.11Å; T333-C337 PolarHBondContact O-N 3.38Å; T333-C337 PolarHBondContact O-SG 2.77Å; T333-C337 VanDerWaalsContact O-SG 3.32Å
334R90.8Very high93.9Very high54 Ų5446.7 Ų46.720%0.20425%0.248CC..Hα-helixtrans-62.2-43.6172.9178178.9-60.6-92.52.3111.1L287 D289 P290 F294 F336 C337 E338L287-R334 PolarHBondContact O-NH1 2.98Å; D289-R334 VanDerWaalsContact O-CZ 3.25Å; D289-R334 PolarHBondContact O-NH1 2.76Å; D289-R334 PolarHBondContact O-NH2 3.05Å; P290-R334 VanDerWaalsContact C-NH2 3.33Å; P290-R334 PolarHBondContact O-NH2 3.48Å; F294-R334 HydrophobicContact CE1-CB 4.22Å; F294-R334 HydrophobicContact CE2-CB 4.48Å; F294-R334 HydrophobicContact CZ-CB 3.79Å; F294-R334 HydrophobicContact CZ-CG 3.93Å; R334-F336 VanDerWaalsContact C-N 3.27Å; R334-F336 PolarHBondContact O-N 3.41Å; R334-C337 PolarHBondContact O-N 2.99Å; R334-E338 HydrophobicContact CG-CG 4.3Å; R334-E338 WeakPolarHBondContact O-CG 3.34Å; R334-E338 PolarHBondContact O-N 3.16Å
335E92.3Very high93.8Very high110 Ų11046.7 Ų46.751%0.51425%0.248SC..Hα-helixtrans-59.4-41.1-179.2-59.174.8-162.300110.9T333 C337 E338 Q339T333-E335 VanDerWaalsContact C-N 3.33Å; T333-E335 WeakPolarHBondContact CB-OE2 3.21Å; T333-E335 PolarHBondContact OG1-N 2.88Å; T333-E335 PolarHBondContact OG1-OE2 2.79Å; E335-C337 PolarHBondContact O-N 2.98Å; E335-E338 PolarHBondContact O-N 2.94Å; E335-Q339 VanDerWaalsContact O-CG 3.29Å; E335-Q339 WeakPolarHBondContact O-CG 3.46Å; E335-Q339 PolarHBondContact O-N 3.07Å
336F93.9Very high93.7Very high14 Ų1449 Ų496%0.06126%0.263CS..Hα-helixtrans-60.9-44.7174.1175.2-98.2000111.8L215 L217 I218 I313 I326 L332 T333 R334 E338 Q339 L340L215-F336 HydrophobicContact CB-CE2 4.3Å; L215-F336 HydrophobicContact CD1-CE2 4.47Å; L215-F336 HydrophobicContact CD2-CE2 4.14Å; L217-F336 HydrophobicContact CB-CE2 4.2Å; L217-F336 HydrophobicContact CD1-CD2 3.83Å; L217-F336 HydrophobicContact CD1-CE2 3.95Å; L217-F336 HydrophobicContact CG-CE2 4.49Å; I218-F336 HydrophobicContact CG1-CZ 4.4Å; I313-F336 HydrophobicContact CD1-CE1 3.81Å; I326-F336 HydrophobicContact CD1-CE1 3.47Å; I326-F336 VanDerWaalsContact CD1-CE1 3.47Å; I326-F336 HydrophobicContact CD1-CZ 3.41Å; I326-F336 VanDerWaalsContact CD1-CZ 3.41Å; L332-F336 HydrophobicContact CD2-CD1 3.85Å; L332-F336 HydrophobicContact CD2-CE1 3.89Å; T333-F336 PolarHBondContact O-N 3.13Å; T333-F336 PolarHBondContact OG1-N 3.11Å; R334-F336 VanDerWaalsContact C-N 3.27Å; R334-F336 PolarHBondContact O-N 3.41Å; F336-E338 VanDerWaalsContact C-N 3.34Å; F336-E338 PolarHBondContact O-N 2.97Å; F336-Q339 PolarHBondContact O-N 3.34Å; F336-L340 HydrophobicContact CE1-CD1 3.82Å; F336-L340 HydrophobicContact CZ-CD1 3.96Å; F336-L340 WeakPolarHBondContact O-CB 3.5Å; F336-L340 PolarHBondContact O-N 3.15Å
337C94.1Very high93.6Very high0 Ų050.8 Ų50.80%027%0.272CS..Hα-helixtrans-67.4-35.2179.9-60.20000112.2F280 P284 L287 F294 T333 R334 E335 L340 D341F280-C337 HydrophobicContact CE1-CB 4.49Å; F280-C337 HydrophobicContact CZ-CB 4Å; P284-C337 HydrophobicContact CG-CB 4.43Å; L287-C337 HydrophobicContact CD2-CB 3.59Å; F294-C337 HydrophobicContact CE1-CB 3.98Å; T333-C337 PolarHBondContact O-N 3.38Å; T333-C337 PolarHBondContact O-SG 2.77Å; T333-C337 VanDerWaalsContact O-SG 3.32Å; R334-C337 PolarHBondContact O-N 2.99Å; E335-C337 PolarHBondContact O-N 2.98Å; C337-L340 PolarHBondContact O-N 3.36Å; C337-D341 VanDerWaalsContact O-CB 3.3Å; C337-D341 WeakPolarHBondContact O-CB 3.31Å; C337-D341 PolarHBondContact O-N 3.29Å
338E93.3Very high93.6Very high94 Ų9449 Ų4944%0.43926%0.259SS..Hα-helixtrans-66.2-41.6173.6-71174.3174.200111.9L287 R334 E335 F336 D341 G342L287-E338 HydrophobicContact CD2-CG 4.44Å; R334-E338 HydrophobicContact CG-CG 4.3Å; R334-E338 WeakPolarHBondContact O-CG 3.34Å; R334-E338 PolarHBondContact O-N 3.16Å; E335-E338 PolarHBondContact O-N 2.94Å; F336-E338 VanDerWaalsContact C-N 3.34Å; F336-E338 PolarHBondContact O-N 2.97Å; E338-D341 PolarHBondContact O-N 2.93Å; E338-G342 PolarHBondContact O-N 2.82Å
339Q95Very high93.7Very high120 Ų12049.3 Ų49.356%0.56126%0.26SS*.Hα-helixtrans-63.3-44.8174-72.7174.610.400111.7L215 E335 F336 G342 L343L215-Q339 HydrophobicContact CD2-CB 4.37Å; E335-Q339 VanDerWaalsContact O-CG 3.29Å; E335-Q339 WeakPolarHBondContact O-CG 3.46Å; E335-Q339 PolarHBondContact O-N 3.07Å; F336-Q339 PolarHBondContact O-N 3.34Å; Q339-G342 PolarHBondContact O-N 2.65Å; Q339-L343 WeakPolarHBondContact O-CB 3.29Å; Q339-L343 PolarHBondContact O-N 2.82Å
340L95.7Very high93.8Very high0 Ų047.7 Ų47.70%025%0.251CS..Hα-helixtrans-61.8-46.5177-174.7157.5000110.9L215 F280 I313 Y315 F324 F336 C337 G342 L343 V344L215-L340 HydrophobicContact CD1-CB 3.99Å; L215-L340 HydrophobicContact CD1-CD1 4.36Å; L215-L340 HydrophobicContact CD1-CG 4.08Å; F280-L340 HydrophobicContact CE1-CD2 3.91Å; F280-L340 HydrophobicContact CZ-CD2 3.88Å; I313-L340 HydrophobicContact CD1-CD1 4.24Å; Y315-L340 HydrophobicContact CD2-CD2 3.89Å; Y315-L340 HydrophobicContact CE2-CD2 4.33Å; Y315-L340 HydrophobicContact CG-CD2 4.33Å; F324-L340 HydrophobicContact CD2-CD1 3.94Å; F324-L340 HydrophobicContact CD2-CD2 4.46Å; F324-L340 HydrophobicContact CE2-CD1 4.28Å; F324-L340 HydrophobicContact CE2-CD2 4.12Å; F324-L340 HydrophobicContact CE2-CG 4.43Å; F336-L340 HydrophobicContact CE1-CD1 3.82Å; F336-L340 HydrophobicContact CZ-CD1 3.96Å; F336-L340 WeakPolarHBondContact O-CB 3.5Å; F336-L340 PolarHBondContact O-N 3.15Å; C337-L340 PolarHBondContact O-N 3.36Å; L340-G342 PolarHBondContact O-N 2.74Å; L340-L343 PolarHBondContact O-N 3.32Å; L340-V344 HydrophobicContact CD2-CB 4.23Å; L340-V344 HydrophobicContact CD2-CG2 4.09Å; L340-V344 HydrophobicContact CG-CG2 4.11Å; L340-V344 WeakPolarHBondContact O-CB 3.39Å; L340-V344 WeakPolarHBondContact O-CG2 3.29Å; L340-V344 PolarHBondContact O-N 2.9Å
341D94.8Very high93.9Very high16 Ų1646.3 Ų46.39%0.08624%0.242CC..Hα-helixtrans-59.7-46.7177.1-173.572.1000112.2N273 H276 F280 L287 Y315 C337 E338 L343 G345N273-D341 PolarHBondContact ND2-OD2 3.21Å; H276-D341 IonicContact CE1-OD1 2.76Å; H276-D341 PolarHBondContact CE1-OD1 3.36Å; H276-D341 IonicContact CE1-OD2 3.5Å; H276-D341 IonicContact NE2-OD2 3.99Å; F280-D341 HydrophobicContact CE2-CB 4.17Å; F280-D341 HydrophobicContact CZ-CB 4.43Å; L287-D341 HydrophobicContact CD1-CB 3.58Å; Y315-D341 HydrophobicContact CE2-CB 4.43Å; Y315-D341 WeakPolarHBondContact CE2-OD1 3.3Å; Y315-D341 PolarHBondContact OH-OD1 3Å; C337-D341 VanDerWaalsContact O-CB 3.3Å; C337-D341 WeakPolarHBondContact O-CB 3.31Å; C337-D341 PolarHBondContact O-N 3.29Å; E338-D341 PolarHBondContact O-N 2.93Å; D341-L343 VanDerWaalsContact C-N 3.34Å; D341-L343 PolarHBondContact O-N 3.5Å; D341-G345 WeakPolarHBondContact O-CA 3.45Å; D341-G345 PolarHBondContact O-N 3.37Å
342G93.9Very high94.2Very high48 Ų4838.2 Ų38.250%0.49520%0.204SC..Hα-helixtrans-65-33.6179.200000114.1E338 Q339 L340 P346E338-G342 PolarHBondContact O-N 2.82Å; Q339-G342 PolarHBondContact O-N 2.65Å; L340-G342 PolarHBondContact O-N 2.74Å; G342-P346 WeakPolarHBondContact O-CD 3.45Å
343L95.1Very high94.3Very high32 Ų3240 Ų4017%0.16822%0.218CC..Hα-helixtrans-81.6-49.9178.1-179.165.2000112.2V211 L215 Q339 L340 D341V211-L343 HydrophobicContact CG2-CD2 4.23Å; L215-L343 HydrophobicContact CD1-CD2 4.14Å; L215-L343 HydrophobicContact CG-CD2 4.12Å; Q339-L343 WeakPolarHBondContact O-CB 3.29Å; Q339-L343 PolarHBondContact O-N 2.82Å; L340-L343 PolarHBondContact O-N 3.32Å; D341-L343 VanDerWaalsContact C-N 3.34Å; D341-L343 PolarHBondContact O-N 3.5Å
344V96.4Very high94.3Very high0 Ų039.7 Ų39.70%021%0.214CC..Hα-helixtrans-82.3-42.8-170.2173.20000111.4F207 V211 Y315 F324 L340 Q347 L348F207-V344 HydrophobicContact CE2-CG1 4.39Å; F207-V344 HydrophobicContact CZ-CG1 3.99Å; F207-V344 HydrophobicContact CZ-CG2 4.48Å; V211-V344 HydrophobicContact CG1-CG2 4.29Å; V211-V344 HydrophobicContact CG2-CG2 4.01Å; Y315-V344 HydrophobicContact CD1-CG1 3.7Å; Y315-V344 HydrophobicContact CE1-CG1 3.99Å; Y315-V344 HydrophobicContact CG-CG1 4.31Å; F324-V344 HydrophobicContact CE2-CG1 4.18Å; F324-V344 HydrophobicContact CE2-CG2 4.13Å; F324-V344 HydrophobicContact CZ-CB 4.47Å; F324-V344 HydrophobicContact CZ-CG1 3.94Å; F324-V344 HydrophobicContact CZ-CG2 3.71Å; L340-V344 HydrophobicContact CD2-CB 4.23Å; L340-V344 HydrophobicContact CD2-CG2 4.09Å; L340-V344 HydrophobicContact CG-CG2 4.11Å; L340-V344 WeakPolarHBondContact O-CB 3.39Å; L340-V344 WeakPolarHBondContact O-CG2 3.29Å; L340-V344 PolarHBondContact O-N 2.9Å; V344-Q347 PolarHBondContact O-N 3.25Å; V344-L348 HydrophobicContact CG1-CB 4.11Å; V344-L348 HydrophobicContact CG1-CD2 4.2Å; V344-L348 WeakPolarHBondContact O-CB 3.45Å; V344-L348 PolarHBondContact O-N 2.95Å
345G94.9Very high94.4Very high0 Ų037.1 Ų37.10%021%0.205CC..Hα-helixtrans-52.1-56.7-17300000114.3H276 Y315 D341 T349H276-G345 WeakPolarHBondContact ND1-CA 3.41Å; Y315-G345 WeakPolarHBondContact OH-CA 3.2Å; D341-G345 WeakPolarHBondContact O-CA 3.45Å; D341-G345 PolarHBondContact O-N 3.37Å; G345-T349 WeakPolarHBondContact O-CB 3.31Å; G345-T349 PolarHBondContact O-N 2.76Å; G345-T349 VanDerWaalsContact O-N 3.14Å; G345-T349 PolarHBondContact O-OG1 3.07Å
346P95.1Very high94.3Very high48 Ų4834.2 Ų34.231%0.31220%0.196SC..Hα-helixtrans-62.4-45.7178.5-23.133.6000113.2H276 G342 T349 L350H276-P346 HydrophobicContact CB-CG 4.43Å; G342-P346 WeakPolarHBondContact O-CD 3.45Å; P346-T349 PolarHBondContact O-N 3.37Å; P346-L350 WeakPolarHBondContact O-CG 3.36Å; P346-L350 PolarHBondContact O-N 2.85Å; P346-L350 VanDerWaalsContact O-N 3.1Å
347Q95.3Very high94Very high38 Ų3839.3 Ų39.318%0.17822%0.22CC..Hα-helixtrans-69.6-42.7-175.5-64.2-176.120.400112F207 R210 V344 T349 L350 L351F207-Q347 HydrophobicContact CD2-CB 3.79Å; F207-Q347 HydrophobicContact CE2-CB 3.9Å; R210-Q347 VanDerWaalsContact CZ-NE2 3.35Å; R210-Q347 VanDerWaalsContact NH1-NE2 3.16Å; V344-Q347 PolarHBondContact O-N 3.25Å; Q347-T349 VanDerWaalsContact C-N 3.3Å; Q347-T349 PolarHBondContact O-N 2.87Å; Q347-L350 PolarHBondContact O-N 3.15Å; Q347-L351 WeakPolarHBondContact O-CG 3.48Å; Q347-L351 PolarHBondContact O-N 3.25Å
348L95.9Very high93.4Very high0 Ų042 Ų420%023%0.233CC..Hα-helixtrans-64-38.1177.4-172.264.7000111.3F223 Y315 A317 A320 A322 V344 L351 A352F223-L348 HydrophobicContact CD2-CD1 4.19Å; F223-L348 HydrophobicContact CE2-CD1 3.24Å; F223-L348 HydrophobicContact CZ-CD1 3.61Å; Y315-L348 HydrophobicContact CD1-CD2 3.73Å; Y315-L348 HydrophobicContact CE1-CD2 4.26Å; A317-L348 HydrophobicContact CB-CB 4.17Å; A317-L348 HydrophobicContact CB-CD2 3.81Å; A317-L348 HydrophobicContact CB-CG 3.83Å; A320-L348 HydrophobicContact CB-CD1 3.74Å; A320-L348 HydrophobicContact CB-CG 4.12Å; A322-L348 HydrophobicContact CB-CD1 4.32Å; A322-L348 HydrophobicContact CB-CD2 4.25Å; V344-L348 HydrophobicContact CG1-CB 4.11Å; V344-L348 HydrophobicContact CG1-CD2 4.2Å; V344-L348 WeakPolarHBondContact O-CB 3.45Å; V344-L348 PolarHBondContact O-N 2.95Å; L348-L351 PolarHBondContact O-N 3.04Å; L348-A352 VanDerWaalsContact O-CB 3.31Å; L348-A352 WeakPolarHBondContact O-CB 3.12Å; L348-A352 PolarHBondContact O-N 3.04Å
349T94.9Very high92.9Very high18 Ų1841.8 Ų41.811%0.1123%0.23CC..Hα-helixtrans-62-46.3175-62.10000111.5Y277 M318 G345 P346 Q347 A352 S353Y277-T349 HydrophobicContact CD2-CG2 3.65Å; Y277-T349 HydrophobicContact CG-CG2 4.49Å; Y277-T349 PolarHBondContact N-OG1 3.07Å; Y277-T349 VanDerWaalsContact N-OG1 3.15Å; M318-T349 HydrophobicContact SD-CG2 4.32Å; G345-T349 WeakPolarHBondContact O-CB 3.31Å; G345-T349 PolarHBondContact O-N 2.76Å; G345-T349 VanDerWaalsContact O-N 3.14Å; G345-T349 PolarHBondContact O-OG1 3.07Å; P346-T349 PolarHBondContact O-N 3.37Å; Q347-T349 VanDerWaalsContact C-N 3.3Å; Q347-T349 PolarHBondContact O-N 2.87Å; T349-A352 PolarHBondContact O-N 2.97Å; T349-S353 PolarHBondContact O-N 2.65Å; T349-S353 VanDerWaalsContact O-N 3.07Å
350L94.6Very high92.2Very high117 Ų11738.6 Ų38.661%0.61322%0.219SC*.Hα-helixtrans-62.9-47.4177.2-71.1171.3000111.6P346 Q347 A352 S353 D354P346-L350 WeakPolarHBondContact O-CG 3.36Å; P346-L350 PolarHBondContact O-N 2.85Å; P346-L350 VanDerWaalsContact O-N 3.1Å; Q347-L350 PolarHBondContact O-N 3.15Å; L350-A352 VanDerWaalsContact C-N 3.32Å; L350-A352 PolarHBondContact O-N 3.32Å; L350-S353 WeakPolarHBondContact O-CB 3.45Å; L350-S353 PolarHBondContact O-N 2.99Å; L350-S353 VanDerWaalsContact O-N 3.15Å; L350-D354 PolarHBondContact O-N 3.29Å
351L95.2Very high91.3Very high16 Ų1642.3 Ų42.38%0.08424%0.238CC..Hα-helixtrans-59.4-42.7176.7-72.6172.5000112K203 I204 F207 F223 Q347 L348 S353 D354 I355K203-L351 HydrophobicContact CB-CD2 3.97Å; I204-L351 HydrophobicContact CG1-CD1 4.48Å; I204-L351 HydrophobicContact CG1-CD2 4.3Å; F207-L351 HydrophobicContact CB-CD1 3.65Å; F207-L351 HydrophobicContact CD1-CD1 4.01Å; F207-L351 HydrophobicContact CD2-CD1 3.98Å; F207-L351 HydrophobicContact CG-CD1 3.59Å; F223-L351 HydrophobicContact CE2-CD1 4.23Å; Q347-L351 WeakPolarHBondContact O-CG 3.48Å; Q347-L351 PolarHBondContact O-N 3.25Å; L348-L351 PolarHBondContact O-N 3.04Å; L351-S353 VanDerWaalsContact C-N 3.3Å; L351-S353 PolarHBondContact O-N 3.15Å; L351-D354 PolarHBondContact O-N 3.16Å; L351-I355 WeakPolarHBondContact O-CD1 3.24Å; L351-I355 WeakPolarHBondContact O-CG1 3.42Å; L351-I355 PolarHBondContact O-N 3.47Å
352A94.5Very high90.2Very high1 Ų146.2 Ų46.21%0.00826%0.259CS..Hα-helixtrans-60.9-40.3177.100000111.9Y225 M318 A320 L348 T349 L350 C356Y225-A352 HydrophobicContact CE2-CB 4.36Å; M318-A352 HydrophobicContact CB-CB 4.08Å; M318-A352 HydrophobicContact SD-CB 4.13Å; A320-A352 HydrophobicContact CB-CB 3.72Å; L348-A352 VanDerWaalsContact O-CB 3.31Å; L348-A352 WeakPolarHBondContact O-CB 3.12Å; L348-A352 PolarHBondContact O-N 3.04Å; T349-A352 PolarHBondContact O-N 2.97Å; L350-A352 VanDerWaalsContact C-N 3.32Å; L350-A352 PolarHBondContact O-N 3.32Å; A352-C356 VanDerWaalsContact O-CB 3.31Å; A352-C356 WeakPolarHBondContact O-CB 3.41Å; A352-C356 PolarHBondContact O-N 3.01Å
353S92.8Very high89.1Confident57 Ų5752.5 Ų52.540%0.39927%0.268SS..Hα-helixtrans-66.1-47.3175.8-171.10000111.9T349 L350 L351 I355 C356 E357T349-S353 PolarHBondContact O-N 2.65Å; T349-S353 VanDerWaalsContact O-N 3.07Å; L350-S353 WeakPolarHBondContact O-CB 3.45Å; L350-S353 PolarHBondContact O-N 2.99Å; L350-S353 VanDerWaalsContact O-N 3.15Å; L351-S353 VanDerWaalsContact C-N 3.3Å; L351-S353 PolarHBondContact O-N 3.15Å; S353-I355 PolarHBondContact O-N 2.97Å; S353-C356 WeakPolarHBondContact O-CB 3.47Å; S353-C356 PolarHBondContact O-N 3.48Å; S353-E357 PolarHBondContact O-N 3.19Å
354D91.5Very high87.6Confident50 Ų5060.5 Ų60.527%0.26730%0.296SS..Hα-helixtrans-57.4-47.1178.1-81.313.5000111.2K203 L350 L351 C356 E357 Q358K203-D354 IonicContact NZ-OD2 3.77Å; K203-D354 PolarHBondContact NZ-OD2 3.43Å; L350-D354 PolarHBondContact O-N 3.29Å; L351-D354 PolarHBondContact O-N 3.16Å; D354-C356 VanDerWaalsContact C-N 3.34Å; D354-C356 PolarHBondContact O-N 3.38Å; D354-E357 PolarHBondContact O-N 3.15Å; D354-Q358 WeakPolarHBondContact O-CG 3.31Å; D354-Q358 PolarHBondContact O-N 2.95Å; D354-Q358 VanDerWaalsContact O-N 3.16Å
355I92.4Very high85.9Confident1 Ų166.8 Ų66.81%0.00533%0.328CS..Hα-helixtrans-63-42.3178.1-63.7162.1000110.5F194 L196 T200 I204 F223 Y225 I230 L351 S353 Q358 F359F194-I355 HydrophobicContact CE1-CG2 3.71Å; F194-I355 HydrophobicContact CZ-CG2 4Å; L196-I355 HydrophobicContact CD2-CG1 4.4Å; L196-I355 HydrophobicContact CD2-CG2 4.16Å; T200-I355 HydrophobicContact CG2-CG1 3.78Å; I204-I355 HydrophobicContact CD1-CD1 3.9Å; F223-I355 HydrophobicContact CE1-CD1 4.16Å; F223-I355 HydrophobicContact CZ-CD1 4.43Å; Y225-I355 HydrophobicContact CD1-CG2 3.69Å; Y225-I355 HydrophobicContact CD2-CB 4.16Å; Y225-I355 HydrophobicContact CD2-CD1 3.91Å; Y225-I355 HydrophobicContact CD2-CG2 3.89Å; Y225-I355 HydrophobicContact CE1-CG2 3.6Å; Y225-I355 HydrophobicContact CE2-CB 3.93Å; Y225-I355 HydrophobicContact CE2-CD1 4.44Å; Y225-I355 HydrophobicContact CE2-CG2 3.82Å; Y225-I355 HydrophobicContact CG-CD1 4.33Å; Y225-I355 HydrophobicContact CG-CG2 3.83Å; I230-I355 HydrophobicContact CD1-CD1 4.39Å; L351-I355 WeakPolarHBondContact O-CD1 3.24Å; L351-I355 WeakPolarHBondContact O-CG1 3.42Å; L351-I355 PolarHBondContact O-N 3.47Å; S353-I355 PolarHBondContact O-N 2.97Å; I355-Q358 PolarHBondContact O-N 2.66Å; I355-F359 VanDerWaalsContact O-CB 3.29Å; I355-F359 WeakPolarHBondContact O-CB 3.47Å; I355-F359 PolarHBondContact O-N 2.86Å
356C90.6Very high84.2Confident49 Ų4971.2 Ų71.233%0.33136%0.359SS..Hα-helixtrans-61.8-44.9179.6-172.20000112.4Y225 A352 S353 D354 F359 T360Y225-C356 WeakPolarHBondContact OH-CA 3.42Å; Y225-C356 VanDerWaalsContact OH-CB 3.28Å; Y225-C356 WeakPolarHBondContact OH-CB 3.21Å; A352-C356 VanDerWaalsContact O-CB 3.31Å; A352-C356 WeakPolarHBondContact O-CB 3.41Å; A352-C356 PolarHBondContact O-N 3.01Å; S353-C356 WeakPolarHBondContact O-CB 3.47Å; S353-C356 PolarHBondContact O-N 3.48Å; D354-C356 VanDerWaalsContact C-N 3.34Å; D354-C356 PolarHBondContact O-N 3.38Å; C356-F359 PolarHBondContact O-N 3.12Å; C356-T360 WeakPolarHBondContact O-CB 3.11Å; C356-T360 PolarHBondContact O-N 3.36Å; C356-T360 PolarHBondContact O-OG1 3.46Å
357E87.6Confident82.1Confident121 Ų12170.3 Ų70.357%0.56536%0.358SS*.Hα-helixtrans-62.3-49179.4-175.2173.6-169.700111S353 D354 F359 T360 I361S353-E357 PolarHBondContact O-N 3.19Å; D354-E357 PolarHBondContact O-N 3.15Å; E357-F359 PolarHBondContact O-N 3.16Å; E357-T360 PolarHBondContact O-N 3.5Å; E357-I361 HydrophobicContact CG-CD1 3.98Å; E357-I361 WeakPolarHBondContact O-CG1 3.14Å; E357-I361 PolarHBondContact O-N 2.86Å
358Q82.8Confident80.1Confident57 Ų5774.7 Ų74.727%0.26639%0.39SS..Hα-helixtrans-61.6-44.5177.8-71.7-179-13.400112.7D197 T200 D354 I355 T360 I361 N362D197-Q358 PolarHBondContact OD1-OE1 3.06Å; T200-Q358 PolarHBondContact OG1-NE2 2.9Å; T200-Q358 PolarHBondContact OG1-OE1 3.34Å; D354-Q358 WeakPolarHBondContact O-CG 3.31Å; D354-Q358 PolarHBondContact O-N 2.95Å; D354-Q358 VanDerWaalsContact O-N 3.16Å; I355-Q358 PolarHBondContact O-N 2.66Å; Q358-T360 VanDerWaalsContact C-N 3.28Å; Q358-T360 PolarHBondContact O-N 2.98Å; Q358-I361 PolarHBondContact O-N 3.4Å; Q358-N362 PolarHBondContact O-N 2.8Å
359F81.4Confident78Confident89 Ų8982.3 Ų82.339%0.3943%0.426SS..Hα-helixtrans-60.2-41.2177.4-176.2-99.8000111.4F194 I355 C356 E357 R363F194-F359 HydrophobicContact CE2-CD2 4.22Å; F194-F359 HydrophobicContact CE2-CE2 4.36Å; F194-F359 HydrophobicContact CZ-CB 4.42Å; F194-F359 AromaticContact CZ-CD2 3.62Å; F194-F359 HydrophobicContact CZ-CD2 3.62Å; F194-F359 HydrophobicContact CZ-CE2 4.18Å; F194-F359 HydrophobicContact CZ-CG 4.2Å; I355-F359 VanDerWaalsContact O-CB 3.29Å; I355-F359 WeakPolarHBondContact O-CB 3.47Å; I355-F359 PolarHBondContact O-N 2.86Å; C356-F359 PolarHBondContact O-N 3.12Å; E357-F359 PolarHBondContact O-N 3.16Å; F359-R363 WeakPolarHBondContact O-CB 3.44Å; F359-R363 PolarHBondContact O-N 3.43Å
360T81.4Confident75.9Confident53 Ų5390.6 Ų90.633%0.32546%0.46SS..Hα-helixtrans-66.2-40.3178.1-57.80000111.9C356 E357 Q358 R364C356-T360 WeakPolarHBondContact O-CB 3.11Å; C356-T360 PolarHBondContact O-N 3.36Å; C356-T360 PolarHBondContact O-OG1 3.46Å; E357-T360 PolarHBondContact O-N 3.5Å; Q358-T360 VanDerWaalsContact C-N 3.28Å; Q358-T360 PolarHBondContact O-N 2.98Å; T360-R364 WeakPolarHBondContact O-CG 3.13Å; T360-R364 PolarHBondContact O-N 2.96Å; T360-R364 VanDerWaalsContact O-N 3.09Å
361I76.9Confident73.8Confident78 Ų7893.6 Ų93.640%0.447%0.471SS..Hα-helixtrans-63.7-50.9176.5-69.3165.2000110.5E357 Q358 R363 R364 I365E357-I361 HydrophobicContact CG-CD1 3.98Å; E357-I361 WeakPolarHBondContact O-CG1 3.14Å; E357-I361 PolarHBondContact O-N 2.86Å; Q358-I361 PolarHBondContact O-N 3.4Å; I361-R363 VanDerWaalsContact C-N 3.28Å; I361-R363 PolarHBondContact O-N 3.3Å; I361-R364 PolarHBondContact O-N 3.03Å; I361-R364 VanDerWaalsContact O-N 3.08Å; I361-I365 HydrophobicContact CG2-CD1 3.79Å; I361-I365 WeakPolarHBondContact O-CG1 3.27Å; I361-I365 PolarHBondContact O-N 3.49Å; I361-I365 VanDerWaalsContact O-N 3.09Å
362N70.9Confident71.9Confident97 Ų9795.7 Ų95.752%0.51949%0.486SS..Hα-helixtrans-59.2-41179.9-72.8-17.1000111.6Q358 R364 I365 S366Q358-N362 PolarHBondContact O-N 2.8Å; N362-R364 PolarHBondContact O-N 3.11Å; N362-I365 PolarHBondContact O-N 3.36Å; N362-S366 PolarHBondContact O-N 3.21Å; N362-S366 VanDerWaalsContact O-N 3.16Å; N362-S366 PolarHBondContact O-OG 3.18Å
363R70.4Confident70.6Confident181 Ų181103 Ų10368%0.68352%0.52SS*.Hα-helixtrans-65.8-34.9176.8-167.6177.4178.3-172.60.3113.2F359 I361F359-R363 WeakPolarHBondContact O-CB 3.44Å; F359-R363 PolarHBondContact O-N 3.43Å; I361-R363 VanDerWaalsContact C-N 3.28Å; I361-R363 PolarHBondContact O-N 3.3Å
364R64.2Low69.9Low200 Ų200101.7 Ų101.776%0.75551%0.507SS*.Hα-helixtrans-68.6-35.1175.4-74.8175.8-176176.33.7112.1T360 I361 N362T360-R364 WeakPolarHBondContact O-CG 3.13Å; T360-R364 PolarHBondContact O-N 2.96Å; T360-R364 VanDerWaalsContact O-N 3.09Å; I361-R364 PolarHBondContact O-N 3.03Å; I361-R364 VanDerWaalsContact O-N 3.08Å; N362-R364 PolarHBondContact O-N 3.11Å
365I61.5Low69.8Low131 Ų131102.5 Ų102.567%0.67251%0.508SS*.Hα-helixtrans-69.1-37.7178.6-64164.8000110.9I361 N362 G367I361-I365 HydrophobicContact CG2-CD1 3.79Å; I361-I365 WeakPolarHBondContact O-CG1 3.27Å; I361-I365 PolarHBondContact O-N 3.49Å; I361-I365 VanDerWaalsContact O-N 3.09Å; N362-I365 PolarHBondContact O-N 3.36Å; I365-G367 VanDerWaalsContact C-N 3.25Å; I365-G367 PolarHBondContact O-N 2.58Å
366S59Low69.8Low94 Ų94103 Ų10366%0.65751%0.51SS*.THydrogen-bonded Turntrans-74.8-6.3-179.9-56.70000115.1N362N362-S366 PolarHBondContact O-N 3.21Å; N362-S366 VanDerWaalsContact O-N 3.16Å; N362-S366 PolarHBondContact O-OG 3.18Å
367G51.2Low69.9Low29 Ų29100.7 Ų100.730%0.29950%0.495SS..  trans70.5172.4-177.800000114I365 E369I365-G367 VanDerWaalsContact C-N 3.25Å; I365-G367 PolarHBondContact O-N 2.58Å; G367-E369 PolarHBondContact O-N 3.25Å; G367-E369 VanDerWaalsContact O-N 3.15Å
368P51.7Low70.2Confident130 Ų13095.2 Ų95.284%0.84447%0.469SS*.  trans-68.4111.7173.627.1-30.3000109.2K370P368-K370 PolarHBondContact O-N 3.33Å
369E52Low70.7Confident160 Ų16092.6 Ų92.675%0.74846%0.456SS*.  trans-55.6114.9171.3-68.5-176.415900108.5G367 E371G367-E369 PolarHBondContact O-N 3.25Å; G367-E369 VanDerWaalsContact O-N 3.15Å; E369-E371 PolarHBondContact O-N 3.05Å
370K50.8Low71.3Confident192 Ų19288.9 Ų88.984%0.83544%0.441SS*.PPolyproline II helixtrans-57.7137.9158.6-71.6-177.2178.4178.90106.3P368P368-K370 PolarHBondContact O-N 3.33Å
371E51.1Low71.8Confident179 Ų17990.3 Ų90.384%0.83644%0.443SS*.PPolyproline II helixtrans-47.2121.7175-108.1-178.116700108.8E369 Q373E369-E371 PolarHBondContact O-N 3.05Å; E371-Q373 PolarHBondContact O-N 3.19Å
372P56.2Low72.4Confident61 Ų6191.6 Ų91.640%0.39645%0.449SS..PPolyproline II helixtrans-59.5130.9-178.621-29.4000108.3F374P372-F374 HydrophobicContact CB-CD1 4.24Å; P372-F374 HydrophobicContact CB-CD2 4.03Å; P372-F374 HydrophobicContact CB-CE1 3.94Å; P372-F374 HydrophobicContact CB-CE2 3.65Å; P372-F374 HydrophobicContact CB-CG 4.28Å; P372-F374 HydrophobicContact CB-CZ 3.62Å; P372-F374 PolarHBondContact O-N 3.42Å
373Q66.4Low73.3Confident154 Ų15490 Ų9072%0.7244%0.441SS*.SBendtrans-66.73.4176.3-72.1-176.2-7.900113.1E371E371-Q373 PolarHBondContact O-N 3.19Å
374F78.9Confident74.4Confident29 Ų2982 Ų8213%0.12741%0.411CS..EExtended strand (participates in β ladder)trans-132.5149.2-176.255.4-99.5000109.7P372 F376 V449 I450 L451 L468P372-F374 HydrophobicContact CB-CD1 4.24Å; P372-F374 HydrophobicContact CB-CD2 4.03Å; P372-F374 HydrophobicContact CB-CE1 3.94Å; P372-F374 HydrophobicContact CB-CE2 3.65Å; P372-F374 HydrophobicContact CB-CG 4.28Å; P372-F374 HydrophobicContact CB-CZ 3.62Å; P372-F374 PolarHBondContact O-N 3.42Å; F374-F376 HydrophobicContact CD2-CD1 4.05Å; F374-F376 HydrophobicContact CE2-CD1 4.05Å; F374-F376 HydrophobicContact CE2-CE1 4.21Å; F374-V449 HydrophobicContact CB-CG1 4.38Å; F374-I450 VanDerWaalsContact CA-O 3.3Å; F374-I450 WeakPolarHBondContact CA-O 3.45Å; F374-L451 HydrophobicContact CB-CD2 3.38Å; F374-L468 HydrophobicContact CD1-CD1 4.33Å; F374-L468 HydrophobicContact CD2-CD1 3.49Å; F374-L468 VanDerWaalsContact CD2-CD1 3.49Å; F374-L468 HydrophobicContact CD2-CD2 4.24Å; F374-L468 HydrophobicContact CD2-CG 4.49Å; F374-L468 HydrophobicContact CE1-CD1 3.94Å; F374-L468 HydrophobicContact CE2-CD1 3.03Å; F374-L468 HydrophobicContact CE2-CG 4.38Å; F374-L468 HydrophobicContact CG-CD1 4.14Å; F374-L468 HydrophobicContact CZ-CD1 3.28Å
375K88.8Confident75.8Confident68 Ų6873.1 Ų73.130%0.29638%0.381SS..EExtended strand (participates in β ladder)trans-117.3147.6169.4-56.3-178.6-179.7-171.40109T389 I390 S402 V403 V449 I450K375-T389 WeakPolarHBondContact CA-OG1 3.32Å; K375-I390 HydrophobicContact CB-CD1 4.45Å; K375-I390 HydrophobicContact CB-CG1 3.7Å; K375-S402 PolarHBondContact NZ-O 3.44Å; K375-S402 PolarHBondContact NZ-OG 3.12Å; K375-V403 HydrophobicContact CD-CG2 3.57Å; K375-V449 CarbonylContact O-C 3.53Å; K375-V449 WeakPolarHBondContact O-CA 3.36Å; K375-I450 HydrophobicContact CB-CB 4.37Å; K375-I450 PolarHBondContact N-O 3.08Å; K375-I450 PolarHBondContact O-N 2.67Å
376F91.3Very high77.2Confident12 Ų1267.2 Ų67.25%0.05335%0.35CS..EExtended strand (participates in β ladder)trans-146159.4-179.470.2-95.9000113.5F374 K387 S388 T389 L447 Y448 V449 F473F374-F376 HydrophobicContact CD2-CD1 4.05Å; F374-F376 HydrophobicContact CE2-CD1 4.05Å; F374-F376 HydrophobicContact CE2-CE1 4.21Å; F376-K387 HydrophobicContact CE2-CB 4.13Å; F376-S388 VanDerWaalsContact O-CA 3.29Å; F376-S388 WeakPolarHBondContact O-CA 3.11Å; F376-T389 HydrophobicContact CD1-CG2 3.86Å; F376-T389 HydrophobicContact CE1-CG2 3.35Å; F376-T389 HydrophobicContact CZ-CG2 3.72Å; F376-T389 PolarHBondContact N-OG1 2.92Å; F376-T389 PolarHBondContact O-N 3.45Å; F376-L447 HydrophobicContact CB-CD1 4.33Å; F376-L447 HydrophobicContact CD2-CD1 4.43Å; F376-Y448 CarbonylContact C-O 3.57Å; F376-Y448 WeakPolarHBondContact CA-O 3.42Å; F376-Y448 WeakPolarHBondContact CB-O 3.36Å; F376-V449 HydrophobicContact CB-CG2 4.43Å; F376-F473 HydrophobicContact CD2-CE2 4.34Å; F376-F473 AromaticContact CD2-CZ 3.8Å; F376-F473 HydrophobicContact CD2-CZ 3.8Å; F376-F473 HydrophobicContact CE2-CE1 4.43Å; F376-F473 HydrophobicContact CE2-CE2 4.31Å; F376-F473 AromaticContact CE2-CZ 3.56Å; F376-F473 HydrophobicContact CE2-CZ 3.56Å; F376-F473 HydrophobicContact CZ-CZ 4.14Å
377I93.2Very high78.7Confident0 Ų067.7 Ų67.70%034%0.341CS..EExtended strand (participates in β ladder)trans-125.3132163.1-60.8165.4000107.2L184 L185 F188 K387 I390 L411 L447 Y448L184-I377 HydrophobicContact CB-CD1 4.38Å; L184-I377 HydrophobicContact CD2-CD1 4.16Å; L185-I377 HydrophobicContact CD2-CD1 4.42Å; L185-I377 HydrophobicContact CD2-CG1 4.39Å; L185-I377 HydrophobicContact CD2-CG2 3.63Å; F188-I377 HydrophobicContact CD2-CG2 4.03Å; F188-I377 HydrophobicContact CE2-CG2 3.65Å; I377-K387 CarbonylContact C-O 3.59Å; I377-K387 WeakPolarHBondContact CA-O 3.39Å; I377-I390 HydrophobicContact CD1-CD1 3.77Å; I377-I390 HydrophobicContact CG1-CD1 3.66Å; I377-I390 HydrophobicContact CG1-CG1 4.3Å; I377-L411 HydrophobicContact CD1-CD1 4.14Å; I377-L447 CarbonylContact O-C 3.56Å; I377-L447 WeakPolarHBondContact O-CA 3.29Å; I377-Y448 HydrophobicContact CB-CD2 4.34Å; I377-Y448 PolarHBondContact N-O 2.91Å; I377-Y448 PolarHBondContact O-N 3.04Å
378Y93.4Very high80.5Confident5 Ų568 Ų682%0.0234%0.338CS..EExtended strand (participates in β ladder)trans-123.9135.2173.6166.9-95.8000109.1N380 E386 K387 R445 E446 F473 I476 F478Y378-N380 HydrophobicContact CE1-CB 4.13Å; Y378-N380 WeakPolarHBondContact OH-CB 3.35Å; Y378-E386 WeakPolarHBondContact O-CA 3.48Å; Y378-K387 HydrophobicContact CD1-CB 4.38Å; Y378-K387 PolarHBondContact N-O 2.91Å; Y378-K387 PolarHBondContact O-N 3.3Å; Y378-R445 HydrophobicContact CE2-CB 4.16Å; Y378-E446 CarbonylContact C-O 3.56Å; Y378-E446 WeakPolarHBondContact CA-O 3.07Å; Y378-F473 HydrophobicContact CD1-CE1 4.05Å; Y378-F473 HydrophobicContact CD2-CD1 4.23Å; Y378-F473 AromaticContact CD2-CE1 3.74Å; Y378-F473 HydrophobicContact CD2-CE1 3.74Å; Y378-F473 HydrophobicContact CD2-CZ 4.26Å; Y378-F473 HydrophobicContact CE2-CD1 4.49Å; Y378-F473 HydrophobicContact CE2-CE1 4.39Å; Y378-F473 HydrophobicContact CG-CD1 4.37Å; Y378-F473 AromaticContact CG-CE1 3.52Å; Y378-F473 HydrophobicContact CG-CE1 3.52Å; Y378-F473 HydrophobicContact CG-CZ 4.03Å; Y378-I476 HydrophobicContact CE1-CD1 4.05Å; Y378-I476 HydrophobicContact CE2-CD1 4.08Å; Y378-I476 HydrophobicContact CE2-CG2 4.12Å; Y378-I476 WeakPolarHBondContact OH-CD1 3.31Å; Y378-F478 AromaticContact CD2-CZ 3.82Å; Y378-F478 HydrophobicContact CD2-CZ 3.82Å; Y378-F478 HydrophobicContact CE2-CE1 4.35Å; Y378-F478 AromaticContact CE2-CZ 3.67Å; Y378-F478 HydrophobicContact CE2-CZ 3.67Å
379F94.6Very high82.1Confident2 Ų264.3 Ų64.31%0.00931%0.313CS..EExtended strand (participates in β ladder)trans-136.4141173.9-173.7-115.2000111.2F188 H381 L384 A385 E386 R445 E446F188-F379 HydrophobicContact CB-CB 4.41Å; F188-F379 HydrophobicContact CB-CD1 4.11Å; F188-F379 HydrophobicContact CB-CD2 3.63Å; F188-F379 HydrophobicContact CB-CE1 4.27Å; F188-F379 HydrophobicContact CB-CE2 3.83Å; F188-F379 HydrophobicContact CB-CG 3.78Å; F188-F379 HydrophobicContact CB-CZ 4.14Å; F188-F379 HydrophobicContact CD1-CB 3.99Å; F188-F379 AromaticContact CD1-CD1 3.48Å; F188-F379 HydrophobicContact CD1-CD1 3.48Å; F188-F379 VanDerWaalsContact CD1-CD1 3.48Å; F188-F379 HydrophobicContact CD1-CD2 4.44Å; F188-F379 HydrophobicContact CD1-CE1 4.03Å; F188-F379 AromaticContact CD1-CG 3.7Å; F188-F379 HydrophobicContact CD1-CG 3.7Å; F188-F379 HydrophobicContact CD2-CB 3.87Å; F188-F379 HydrophobicContact CD2-CG 4.15Å; F188-F379 HydrophobicContact CE1-CB 4.27Å; F188-F379 HydrophobicContact CE1-CD1 4.13Å; F188-F379 HydrophobicContact CE1-CG 4.39Å; F188-F379 HydrophobicContact CE2-CB 4.12Å; F188-F379 HydrophobicContact CG-CB 3.82Å; F188-F379 AromaticContact CG-CD1 3.87Å; F188-F379 HydrophobicContact CG-CD1 3.87Å; F188-F379 AromaticContact CG-CD2 3.98Å; F188-F379 HydrophobicContact CG-CD2 3.98Å; F188-F379 HydrophobicContact CG-CE1 4.42Å; F188-F379 AromaticContact CG-CG 3.6Å; F188-F379 HydrophobicContact CG-CG 3.6Å; F188-F379 HydrophobicContact CZ-CB 4.35Å; F188-F379 WeakPolarHBondContact O-CZ 3.2Å; F379-H381 AromaticContact CD1-CD2 3.98Å; F379-H381 AromaticContact CD1-CE1 3.91Å; F379-H381 AromaticContact CD1-NE2 3.86Å; F379-H381 HydrophobicContact CE1-CB 4.42Å; F379-H381 AromaticContact CE1-CE1 3.66Å; F379-H381 AromaticContact CE1-CG 3.73Å; F379-H381 AromaticContact CE1-ND1 3.45Å; F379-H381 WeakPolarHBondContact CE1-ND1 3.16Å; F379-L384 HydrophobicContact CE2-CB 4.48Å; F379-L384 HydrophobicContact CZ-CD2 4.03Å; F379-A385 CarbonylContact C-O 3.58Å; F379-A385 WeakPolarHBondContact CA-O 3.13Å; F379-E386 HydrophobicContact CD2-CB 4.36Å; F379-R445 CarbonylContact O-C 3.59Å; F379-R445 WeakPolarHBondContact O-CA 3.37Å; F379-E446 PolarHBondContact N-O 2.65Å; F379-E446 PolarHBondContact O-N 3.18Å
380N93.3Very high83.6Confident12 Ų1256.7 Ų56.76%0.06428%0.277CS..EExtended strand (participates in β ladder)trans-120.7114.4173.8-177.32000109.8Y378 M382 N383 L384 A385 R445Y378-N380 HydrophobicContact CE1-CB 4.13Å; Y378-N380 WeakPolarHBondContact OH-CB 3.35Å; N380-M382 VanDerWaalsContact C-N 3.26Å; N380-M382 PolarHBondContact O-N 2.63Å; N380-M382 WeakPolarHBondContact OD1-CB 3.25Å; N380-M382 PolarHBondContact OD1-N 2.99Å; N380-N383 WeakPolarHBondContact CB-OD1 3.38Å; N380-N383 VanDerWaalsContact CG-OD1 3.27Å; N380-N383 PolarHBondContact ND2-OD1 3.08Å; N380-L384 CarbonylContact O-C 3.58Å; N380-L384 WeakPolarHBondContact O-CA 3.42Å; N380-L384 PolarHBondContact O-N 3.15Å; N380-A385 HydrophobicContact CB-CB 4.28Å; N380-A385 PolarHBondContact N-O 3.02Å; N380-A385 PolarHBondContact O-N 3.29Å; N380-R445 HydrophobicContact CB-CG 4.49Å
381H91.4Very high85.1Confident82 Ų8248.5 Ų48.538%0.3824%0.242SC..THydrogen-bonded Turntrans-66.9-26-179.8-67.1-91.6000112.7F379 N383 Q444 E446F379-H381 AromaticContact CD1-CD2 3.98Å; F379-H381 AromaticContact CD1-CE1 3.91Å; F379-H381 AromaticContact CD1-NE2 3.86Å; F379-H381 HydrophobicContact CE1-CB 4.42Å; F379-H381 AromaticContact CE1-CE1 3.66Å; F379-H381 AromaticContact CE1-CG 3.73Å; F379-H381 AromaticContact CE1-ND1 3.45Å; F379-H381 WeakPolarHBondContact CE1-ND1 3.16Å; H381-N383 PolarHBondContact O-N 2.95Å; H381-Q444 HydrophobicContact CB-CB 4.14Å; H381-Q444 WeakPolarHBondContact CB-O 3.31Å; H381-Q444 PolarHBondContact CD2-O 3.18Å; H381-Q444 VanDerWaalsContact CD2-O 3.25Å; H381-Q444 PolarHBondContact N-O 3.22Å; H381-E446 IonicContact CD2-OE1 2.69Å; H381-E446 IonicContact CE1-OE1 3.84Å; H381-E446 IonicContact NE2-OE1 3.48Å; H381-E446 PolarHBondContact NE2-OE1 3.28Å
382M89.8Confident85.4Confident105 Ų10546.2 Ų46.252%0.51723%0.233SC..THydrogen-bonded Turntrans-68.8-34.5-178.1-69.8-171.976.400114.5Q236 N380 Q444Q236-M382 PolarHBondContact NE2-O 2.76Å; Q236-M382 PolarHBondContact OE1-O 2.82Å; N380-M382 VanDerWaalsContact C-N 3.26Å; N380-M382 PolarHBondContact O-N 2.63Å; N380-M382 WeakPolarHBondContact OD1-CB 3.25Å; N380-M382 PolarHBondContact OD1-N 2.99Å; M382-Q444 HydrophobicContact CG-CB 4.05Å
383N90.3Very high85.2Confident64 Ų6453.7 Ų53.734%0.34225%0.253SS..THydrogen-bonded Turntrans-132.39.1-175.371.1-2.7000113F193 N380 H381 A385F193-N383 WeakPolarHBondContact CE2-O 3.41Å; F193-N383 WeakPolarHBondContact CZ-O 3.49Å; N380-N383 WeakPolarHBondContact CB-OD1 3.38Å; N380-N383 VanDerWaalsContact CG-OD1 3.27Å; N380-N383 PolarHBondContact ND2-OD1 3.08Å; H381-N383 PolarHBondContact O-N 2.95Å; N383-A385 PolarHBondContact O-N 3.06Å; N383-A385 VanDerWaalsContact O-N 3.13Å; N383-A385 WeakPolarHBondContact OD1-CB 3.04Å; N383-A385 PolarHBondContact OD1-N 3.49Å
384L94Very high84.5Confident12 Ų1251 Ų516%0.06324%0.239CC..  trans60.516.5-179.2-49.7177.3000114.3G190 I191 Q236 R240 F379 N380 E386G190-L384 CarbonylContact C-O 3.49Å; G190-L384 VanDerWaalsContact CA-O 3.28Å; G190-L384 WeakPolarHBondContact CA-O 3.13Å; I191-L384 HydrophobicContact CD1-CD1 4.46Å; I191-L384 HydrophobicContact CG1-CB 4.47Å; I191-L384 PolarHBondContact N-O 2.81Å; Q236-L384 HydrophobicContact CB-CD1 4.04Å; R240-L384 HydrophobicContact CB-CD1 3.89Å; R240-L384 HydrophobicContact CG-CD1 4.2Å; F379-L384 HydrophobicContact CE2-CB 4.48Å; F379-L384 HydrophobicContact CZ-CD2 4.03Å; N380-L384 CarbonylContact O-C 3.58Å; N380-L384 WeakPolarHBondContact O-CA 3.42Å; N380-L384 PolarHBondContact O-N 3.15Å; L384-E386 PolarHBondContact O-N 2.85Å
385A92.7Very high83Confident14 Ų1452.9 Ų52.912%0.11625%0.253CS..BIsolated β-bridgetrans-66.7124.1-176.700000111.4I191 F193 F379 N380 N383I191-A385 WeakPolarHBondContact O-CA 3.12Å; F193-A385 HydrophobicContact CD2-CB 3.67Å; F193-A385 HydrophobicContact CE2-CB 3.82Å; F379-A385 CarbonylContact C-O 3.58Å; F379-A385 WeakPolarHBondContact CA-O 3.13Å; N380-A385 HydrophobicContact CB-CB 4.28Å; N380-A385 PolarHBondContact N-O 3.02Å; N380-A385 PolarHBondContact O-N 3.29Å; N383-A385 PolarHBondContact O-N 3.06Å; N383-A385 VanDerWaalsContact O-N 3.13Å; N383-A385 WeakPolarHBondContact OD1-CB 3.04Å; N383-A385 PolarHBondContact OD1-N 3.49Å
386E91.8Very high80.9Confident7 Ų751.2 Ų51.23%0.03325%0.252CS..EExtended strand (participates in β ladder)trans-115.8131.8178.2175.5-176.1106.600110.4L185 G190 I191 Y378 F379 L384 K394L185-E386 HydrophobicContact CD2-CG 4.03Å; G190-E386 PolarHBondContact N-OE2 2.77Å; I191-E386 PolarHBondContact O-N 2.84Å; Y378-E386 WeakPolarHBondContact O-CA 3.48Å; F379-E386 HydrophobicContact CD2-CB 4.36Å; L384-E386 PolarHBondContact O-N 2.85Å; E386-K394 IonicContact OE1-NZ 3.62Å; E386-K394 PolarHBondContact OE1-NZ 2.94Å
387K89.6Confident78.5Confident105 Ų10553.3 Ų53.346%0.45727%0.268SS..EExtended strand (participates in β ladder)trans-133.7138.9167.4-66.8-175.6-179.6-179.80109.6F376 I377 Y378F376-K387 HydrophobicContact CE2-CB 4.13Å; I377-K387 CarbonylContact C-O 3.59Å; I377-K387 WeakPolarHBondContact CA-O 3.39Å; Y378-K387 HydrophobicContact CD1-CB 4.38Å; Y378-K387 PolarHBondContact N-O 2.91Å; Y378-K387 PolarHBondContact O-N 3.3Å
388S89Confident76.4Confident35 Ų3555.9 Ų55.925%0.24528%0.284CS..EExtended strand (participates in β ladder)trans-150.6141.2177.2143.20000111.1F376 I390 H391F376-S388 VanDerWaalsContact O-CA 3.29Å; F376-S388 WeakPolarHBondContact O-CA 3.11Å; S388-I390 PolarHBondContact OG-N 3.14Å; S388-I390 VanDerWaalsContact OG-N 3.13Å; S388-H391 PolarHBondContact OG-N 2.9Å; S388-H391 PolarHBondContact OG-ND1 3.29Å
389T86.6Confident74.3Confident52 Ų5257 Ų5732%0.31929%0.292SS..SBendtrans-102.7-5.5167.357.90000113K375 F376K375-T389 WeakPolarHBondContact CA-OG1 3.32Å; F376-T389 HydrophobicContact CD1-CG2 3.86Å; F376-T389 HydrophobicContact CE1-CG2 3.35Å; F376-T389 HydrophobicContact CZ-CG2 3.72Å; F376-T389 PolarHBondContact N-OG1 2.92Å; F376-T389 PolarHBondContact O-N 3.45Å
390I83.5Confident72.5Confident0 Ų062.6 Ų62.60%032%0.322CS..SBendtrans-74-36.7-178.9-66.4179.9000111.9K375 I377 S388 S402 V403 M408 L411 I450K375-I390 HydrophobicContact CB-CD1 4.45Å; K375-I390 HydrophobicContact CB-CG1 3.7Å; I377-I390 HydrophobicContact CD1-CD1 3.77Å; I377-I390 HydrophobicContact CG1-CD1 3.66Å; I377-I390 HydrophobicContact CG1-CG1 4.3Å; S388-I390 PolarHBondContact OG-N 3.14Å; S388-I390 VanDerWaalsContact OG-N 3.13Å; I390-S402 PolarHBondContact O-N 3.23Å; I390-S402 PolarHBondContact O-OG 2.96Å; I390-V403 HydrophobicContact CB-CG2 4.19Å; I390-V403 HydrophobicContact CD1-CG2 4.15Å; I390-V403 HydrophobicContact CG1-CG2 3.9Å; I390-V403 HydrophobicContact CG2-CB 3.94Å; I390-V403 HydrophobicContact CG2-CG2 3.49Å; I390-V403 VanDerWaalsContact CG2-CG2 3.49Å; I390-M408 HydrophobicContact CG2-CE 4.08Å; I390-L411 HydrophobicContact CD1-CD1 3.98Å; I390-I450 HydrophobicContact CD1-CD1 3.95Å
391H80.5Confident71Confident21 Ų2164.7 Ų64.710%0.09734%0.335CS..EExtended strand (participates in β ladder)trans-96.1110.5-174.1-51.784.1000109.9D183 L185 S388D183-H391 IonicContact OD1-NE2 3.92Å; D183-H391 PolarHBondContact OD1-NE2 3.34Å; D183-H391 IonicContact OD2-CD2 2.73Å; D183-H391 PolarHBondContact OD2-CD2 3Å; D183-H391 IonicContact OD2-NE2 3.04Å; D183-H391 PolarHBondContact OD2-NE2 3.33Å; L185-H391 HydrophobicContact CD1-CB 4.31Å; L185-H391 VanDerWaalsContact CD1-CE1 3.45Å; L185-H391 WeakPolarHBondContact CD1-CE1 3.42Å; L185-H391 WeakPolarHBondContact CD1-ND1 3.49Å; L185-H391 VanDerWaalsContact CG-CE1 3.41Å; L185-H391 WeakPolarHBondContact CG-CE1 3.38Å; S388-H391 PolarHBondContact OG-N 2.9Å; S388-H391 PolarHBondContact OG-ND1 3.29Å
392M57.2Low70Confident130 Ų13063.2 Ų63.264%0.6433%0.334SS*.EExtended strand (participates in β ladder)trans-88.4138.6173.1-63.7-137.984.300110L400M392-L400 PolarHBondContact N-O 3.13Å
393R53.4Low69.4Low218 Ų21858.9 Ų58.982%0.82331%0.313SS*.EExtended strand (participates in β ladder)trans20.4100.6179.5-75.7-173.1-178.71780.7114.8T395R393-T395 PolarHBondContact O-N 2.85Å
394K51.4Low69Low99 Ų9961 Ų6143%0.4332%0.321SS..EExtended strand (participates in β ladder)trans-63.193168.1-63.8178.5-178.9176.10109E386E386-K394 IonicContact OE1-NZ 3.62Å; E386-K394 PolarHBondContact OE1-NZ 2.94Å
395T48.2Very low68.4Low68 Ų6863.9 Ų63.942%0.41734%0.34SS..EExtended strand (participates in β ladder)trans-87.1153.5159.949.10000108.7R393 S397 V398R393-T395 PolarHBondContact O-N 2.85Å; T395-S397 PolarHBondContact O-N 3Å; T395-V398 PolarHBondContact O-N 2.96Å
396A43.9Very low67.9Low33 Ų3367.2 Ų67.227%0.27336%0.356SS..THydrogen-bonded Turntrans-56.3-23.5-178.100000113.9H178 P252H178-A396 PolarHBondContact CD2-O 2.88Å; H178-A396 VanDerWaalsContact CD2-O 3.31Å; H178-A396 PolarHBondContact NE2-O 2.94Å; H178-A396 VanDerWaalsContact NE2-O 3.17Å; P252-A396 HydrophobicContact CB-CB 3.2Å; P252-A396 HydrophobicContact CG-CB 3.76Å
397S41.4Very low67.8Low56 Ų5667.1 Ų67.139%0.39236%0.356SS..THydrogen-bonded Turntrans-95.5-23.6-171.845.90000114.8T395T395-S397 PolarHBondContact O-N 3Å
398V47.4Very low67.7Low53 Ų5363 Ų6332%0.32134%0.338SS..EExtended strand (participates in β ladder)trans-155.6123.1-176.1-166.40000111.4T395 L400T395-V398 PolarHBondContact O-N 2.96Å; V398-L400 HydrophobicContact CB-CG 4.45Å; V398-L400 HydrophobicContact CG1-CD2 3.46Å; V398-L400 VanDerWaalsContact CG1-CD2 3.46Å; V398-L400 HydrophobicContact CG1-CG 3.64Å
399C50.4Low67.6Low29 Ų2964.2 Ų64.220%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-87.7108.5156.4-159.90000108.1T401C399-T401 PolarHBondContact O-N 2.85Å
400L56.7Low67.9Low120 Ų12063.2 Ų63.263%0.62833%0.331SS*.EExtended strand (participates in β ladder)trans-88.3104.8173.5-68.8175000108.1M392 V398M392-L400 PolarHBondContact N-O 3.13Å; V398-L400 HydrophobicContact CB-CG 4.45Å; V398-L400 HydrophobicContact CG1-CD2 3.46Å; V398-L400 VanDerWaalsContact CG1-CD2 3.46Å; V398-L400 HydrophobicContact CG1-CG 3.64Å
401T62.7Low68.3Low55 Ų5563.2 Ų63.234%0.33733%0.331SS..EExtended strand (participates in β ladder)trans-72.4130.4167.261.20000107.7C399 V403 M408C399-T401 PolarHBondContact O-N 2.85Å; T401-V403 PolarHBondContact O-N 3.41Å; T401-M408 HydrophobicContact CG2-CE 3.77Å
402S68.8Low68.8Low52 Ų5262.2 Ų62.236%0.36433%0.327SS..SBendtrans-8110.4175.665.30000112.3K375 I390K375-S402 PolarHBondContact NZ-O 3.44Å; K375-S402 PolarHBondContact NZ-OG 3.12Å; I390-S402 PolarHBondContact O-N 3.23Å; I390-S402 PolarHBondContact O-OG 2.96Å
403V78.5Confident70.3Confident13 Ų1359.5 Ų59.58%0.07932%0.315CS..SBendtrans-121.2140-166.9171.40000109.4K375 I390 T401 L407 I450K375-V403 HydrophobicContact CD-CG2 3.57Å; I390-V403 HydrophobicContact CB-CG2 4.19Å; I390-V403 HydrophobicContact CD1-CG2 4.15Å; I390-V403 HydrophobicContact CG1-CG2 3.9Å; I390-V403 HydrophobicContact CG2-CB 3.94Å; I390-V403 HydrophobicContact CG2-CG2 3.49Å; I390-V403 VanDerWaalsContact CG2-CG2 3.49Å; T401-V403 PolarHBondContact O-N 3.41Å; V403-L407 HydrophobicContact CG1-CB 3.53Å; V403-L407 HydrophobicContact CG1-CD1 4.06Å; V403-L407 HydrophobicContact CG1-CG 4.4Å; V403-I450 HydrophobicContact CB-CD1 4.35Å; V403-I450 HydrophobicContact CG1-CD1 3.5Å; V403-I450 HydrophobicContact CG2-CD1 3.83Å
404H81.3Confident72.2Confident110 Ų11049.3 Ų49.351%0.50928%0.277SS..  trans-63.5142.8179.5-166.7-94.1000111.5D406 L407 M408H404-D406 VanDerWaalsContact C-N 3.27Å; H404-D406 IonicContact CE1-OD2 3.25Å; H404-D406 PolarHBondContact CE1-OD2 2.93Å; H404-D406 PolarHBondContact ND1-N 3.16Å; H404-D406 IonicContact ND1-OD2 2.74Å; H404-D406 PolarHBondContact ND1-OD2 3.26Å; H404-D406 PolarHBondContact O-N 3.11Å; H404-L407 HydrophobicContact CB-CD1 4.48Å; H404-L407 HydrophobicContact CB-CG 4.46Å; H404-L407 PolarHBondContact O-N 2.66Å; H404-M408 PolarHBondContact O-N 2.68Å
405P80.7Confident74.2Confident72 Ų7245 Ų4547%0.46826%0.258SS..Hα-helixtrans-50.9-41-179.6-30.236.2000114.5L407 M408 K409P405-L407 VanDerWaalsContact C-N 3.27Å; P405-L407 PolarHBondContact O-N 3Å; P405-M408 WeakPolarHBondContact O-CB 3.45Å; P405-M408 PolarHBondContact O-N 2.99Å; P405-M408 VanDerWaalsContact O-N 3.09Å; P405-K409 PolarHBondContact O-N 3.07Å
406D83.8Confident76.1Confident84 Ų8443.3 Ų43.345%0.44925%0.249SC..Hα-helixtrans-57.7-38.2177.1-61.6-20.5000113.3H404 K409 I410H404-D406 VanDerWaalsContact C-N 3.27Å; H404-D406 IonicContact CE1-OD2 3.25Å; H404-D406 PolarHBondContact CE1-OD2 2.93Å; H404-D406 PolarHBondContact ND1-N 3.16Å; H404-D406 IonicContact ND1-OD2 2.74Å; H404-D406 PolarHBondContact ND1-OD2 3.26Å; H404-D406 PolarHBondContact O-N 3.11Å; D406-K409 WeakPolarHBondContact O-CB 3.33Å; D406-K409 PolarHBondContact O-N 2.66Å; D406-I410 WeakPolarHBondContact O-CG1 3.4Å; D406-I410 PolarHBondContact O-N 3.38Å; D406-I410 VanDerWaalsContact O-N 3.14Å
407L89.1Confident78.3Confident5 Ų544.3 Ų44.33%0.02625%0.25CC..Hα-helixtrans-72.9-38.7178-61.7177.9000110.4V403 H404 P405 K409 I410 L411 A431 Y435 V437 I450V403-L407 HydrophobicContact CG1-CB 3.53Å; V403-L407 HydrophobicContact CG1-CD1 4.06Å; V403-L407 HydrophobicContact CG1-CG 4.4Å; H404-L407 HydrophobicContact CB-CD1 4.48Å; H404-L407 HydrophobicContact CB-CG 4.46Å; H404-L407 PolarHBondContact O-N 2.66Å; P405-L407 VanDerWaalsContact C-N 3.27Å; P405-L407 PolarHBondContact O-N 3Å; L407-K409 VanDerWaalsContact C-N 3.27Å; L407-K409 PolarHBondContact O-N 3.44Å; L407-I410 HydrophobicContact CD2-CD1 4.32Å; L407-I410 PolarHBondContact O-N 3Å; L407-L411 WeakPolarHBondContact O-CG 3.32Å; L407-L411 PolarHBondContact O-N 2.85Å; L407-A431 HydrophobicContact CD2-CB 3.98Å; L407-Y435 HydrophobicContact CD1-CD1 3.91Å; L407-Y435 HydrophobicContact CD1-CD2 4.14Å; L407-Y435 HydrophobicContact CD1-CE1 4.25Å; L407-Y435 HydrophobicContact CD1-CE2 4.5Å; L407-Y435 HydrophobicContact CD1-CG 3.84Å; L407-Y435 HydrophobicContact CD2-CG 4.22Å; L407-V437 HydrophobicContact CD2-CG2 3.96Å; L407-I450 HydrophobicContact CB-CD1 4.19Å; L407-I450 HydrophobicContact CD1-CD1 4.47Å; L407-I450 HydrophobicContact CD1-CG2 4.02Å
408M87.1Confident80.7Confident18 Ų1841.7 Ų41.79%0.08923%0.231CC..Hα-helixtrans-62.8-35.8174.2-168.663.278.300111.8D183 L184 I390 T401 H404 P405 L411 G412D183-M408 HydrophobicContact CB-CE 3.9Å; D183-M408 HydrophobicContact CB-CG 4.37Å; D183-M408 HydrophobicContact CB-SD 4Å; L184-M408 HydrophobicContact CB-SD 4.49Å; I390-M408 HydrophobicContact CG2-CE 4.08Å; T401-M408 HydrophobicContact CG2-CE 3.77Å; H404-M408 PolarHBondContact O-N 2.68Å; P405-M408 WeakPolarHBondContact O-CB 3.45Å; P405-M408 PolarHBondContact O-N 2.99Å; P405-M408 VanDerWaalsContact O-N 3.09Å; M408-L411 WeakPolarHBondContact O-CB 3.42Å; M408-L411 PolarHBondContact O-N 2.91Å; M408-L411 HydrophobicContact SD-CD1 3.91Å; M408-G412 PolarHBondContact O-N 3.4Å
409K87Confident82.5Confident60 Ų6043 Ų4326%0.26125%0.248SC..Hα-helixtrans-61-48.9172.4-174.5-173.6177.2-168.20111.4E125 L128 P405 D406 L407 L411 G412 D413E125-K409 IonicContact OE2-NZ 3.56Å; E125-K409 PolarHBondContact OE2-NZ 3.06Å; L128-K409 HydrophobicContact CD2-CG 4.23Å; P405-K409 PolarHBondContact O-N 3.07Å; D406-K409 WeakPolarHBondContact O-CB 3.33Å; D406-K409 PolarHBondContact O-N 2.66Å; L407-K409 VanDerWaalsContact C-N 3.27Å; L407-K409 PolarHBondContact O-N 3.44Å; K409-L411 VanDerWaalsContact C-N 3.28Å; K409-L411 PolarHBondContact O-N 2.84Å; K409-G412 CarbonylContact O-C 3.51Å; K409-G412 WeakPolarHBondContact O-CA 3.3Å; K409-G412 PolarHBondContact O-N 3.37Å; K409-D413 PolarHBondContact O-N 3.17Å
410I92Very high84.1Confident31 Ų3150.8 Ų50.816%0.15927%0.273CS..Hα-helixtrans-58.2-41.6176.5-64165.8000111D406 L407 G412 D413 I414 V429 A431 V437D406-I410 WeakPolarHBondContact O-CG1 3.4Å; D406-I410 PolarHBondContact O-N 3.38Å; D406-I410 VanDerWaalsContact O-N 3.14Å; L407-I410 HydrophobicContact CD2-CD1 4.32Å; L407-I410 PolarHBondContact O-N 3Å; I410-G412 VanDerWaalsContact C-N 3.31Å; I410-G412 PolarHBondContact O-N 3.09Å; I410-D413 PolarHBondContact O-N 3.33Å; I410-I414 HydrophobicContact CG2-CD1 4.05Å; I410-I414 VanDerWaalsContact O-CG1 3.31Å; I410-I414 WeakPolarHBondContact O-CG1 3.39Å; I410-I414 PolarHBondContact O-N 3.46Å; I410-V429 HydrophobicContact CD1-CG1 4.38Å; I410-V429 HydrophobicContact CG2-CB 3.99Å; I410-V429 HydrophobicContact CG2-CG1 4.01Å; I410-V429 HydrophobicContact CG2-CG2 4.07Å; I410-A431 HydrophobicContact CD1-CB 3.97Å; I410-V437 HydrophobicContact CB-CG2 4.46Å; I410-V437 HydrophobicContact CD1-CG2 4.41Å; I410-V437 HydrophobicContact CG2-CB 3.86Å; I410-V437 HydrophobicContact CG2-CG1 3.86Å; I410-V437 HydrophobicContact CG2-CG2 4.05Å
411L92.5Very high85.1Confident0 Ų048 Ų480%026%0.261CS..Hα-helixtrans-60.2-42.3174.2-64.4179.3000112.2L184 I377 I390 L407 M408 K409 N415 V437 Y448 I450L184-L411 HydrophobicContact CD2-CB 4.24Å; I377-L411 HydrophobicContact CD1-CD1 4.14Å; I390-L411 HydrophobicContact CD1-CD1 3.98Å; L407-L411 WeakPolarHBondContact O-CG 3.32Å; L407-L411 PolarHBondContact O-N 2.85Å; M408-L411 WeakPolarHBondContact O-CB 3.42Å; M408-L411 PolarHBondContact O-N 2.91Å; M408-L411 HydrophobicContact SD-CD1 3.91Å; K409-L411 VanDerWaalsContact C-N 3.28Å; K409-L411 PolarHBondContact O-N 2.84Å; L411-N415 WeakPolarHBondContact O-CB 3.49Å; L411-N415 PolarHBondContact O-N 2.83Å; L411-V437 HydrophobicContact CD2-CG1 3.48Å; L411-V437 VanDerWaalsContact CD2-CG1 3.48Å; L411-V437 HydrophobicContact CG-CG1 4.33Å; L411-Y448 HydrophobicContact CB-CD1 4.5Å; L411-Y448 HydrophobicContact CD2-CD1 3.84Å; L411-Y448 HydrophobicContact CD2-CG 4.17Å; L411-I450 HydrophobicContact CD1-CD1 4.1Å; L411-I450 HydrophobicContact CD2-CG1 4.48Å
412G90.4Very high85.7Confident0 Ų052.9 Ų52.90%029%0.285CS..Hα-helixtrans-63.4-40.5175.500000113.2M408 K409 I410 N415 C416M408-G412 PolarHBondContact O-N 3.4Å; K409-G412 CarbonylContact O-C 3.51Å; K409-G412 WeakPolarHBondContact O-CA 3.3Å; K409-G412 PolarHBondContact O-N 3.37Å; I410-G412 VanDerWaalsContact C-N 3.31Å; I410-G412 PolarHBondContact O-N 3.09Å; G412-N415 PolarHBondContact O-N 2.82Å; G412-C416 PolarHBondContact O-N 3.26Å; G412-C416 PolarHBondContact O-SG 3.32Å
413D90.3Very high86.4Confident73 Ų7357.3 Ų57.339%0.3930%0.3SS..Hα-helixtrans-65.1-46.2177.4-67-25.5000110.7K409 I410 N415 C416 D417K409-D413 PolarHBondContact O-N 3.17Å; I410-D413 PolarHBondContact O-N 3.33Å; D413-N415 VanDerWaalsContact C-N 3.32Å; D413-N415 PolarHBondContact O-N 3.42Å; D413-C416 WeakPolarHBondContact O-CB 3.37Å; D413-C416 PolarHBondContact O-N 3.31Å; D413-C416 VanDerWaalsContact O-N 3.11Å; D413-D417 PolarHBondContact O-N 3.31Å
414I93.2Very high86.8Confident4 Ų460.9 Ų60.92%0.02132%0.319CS..Hα-helixtrans-57.6-45.6173.2-68.8171.1000110.7I410 C416 D417 F418 I427 V429 V437 Y448I410-I414 HydrophobicContact CG2-CD1 4.05Å; I410-I414 VanDerWaalsContact O-CG1 3.31Å; I410-I414 WeakPolarHBondContact O-CG1 3.39Å; I410-I414 PolarHBondContact O-N 3.46Å; I414-C416 VanDerWaalsContact C-N 3.29Å; I414-C416 PolarHBondContact O-N 3.41Å; I414-D417 PolarHBondContact O-N 3.46Å; I414-D417 VanDerWaalsContact O-N 3.13Å; I414-F418 HydrophobicContact CG2-CD1 4.47Å; I414-F418 HydrophobicContact CG2-CD2 4.18Å; I414-F418 HydrophobicContact CG2-CE1 4.13Å; I414-F418 HydrophobicContact CG2-CE2 3.81Å; I414-F418 HydrophobicContact CG2-CZ 3.8Å; I414-F418 WeakPolarHBondContact O-CG 3.34Å; I414-F418 PolarHBondContact O-N 2.95Å; I414-I427 HydrophobicContact CD1-CG2 4.41Å; I414-I427 HydrophobicContact CG1-CB 4.31Å; I414-I427 HydrophobicContact CG1-CG2 4.01Å; I414-I427 HydrophobicContact CG2-CB 4.43Å; I414-I427 HydrophobicContact CG2-CD1 4.3Å; I414-V429 HydrophobicContact CD1-CG2 4.34Å; I414-V437 HydrophobicContact CD1-CG1 3.78Å; I414-Y448 HydrophobicContact CB-CE1 4.17Å; I414-Y448 HydrophobicContact CG2-CD1 4.09Å; I414-Y448 HydrophobicContact CG2-CE1 3.66Å
415N92.9Very high87.2Confident9 Ų958.6 Ų58.65%0.04831%0.308CS..Hα-helixtrans-61.7-37.4177.2177.1-106.6000112.4L184 L411 G412 D413 D417 F418 A419 E446 Y448L184-N415 HydrophobicContact CD1-CB 3.53Å; L184-N415 VanDerWaalsContact CD1-CG 3.46Å; L411-N415 WeakPolarHBondContact O-CB 3.49Å; L411-N415 PolarHBondContact O-N 2.83Å; G412-N415 PolarHBondContact O-N 2.82Å; D413-N415 VanDerWaalsContact C-N 3.32Å; D413-N415 PolarHBondContact O-N 3.42Å; N415-D417 VanDerWaalsContact C-N 3.3Å; N415-D417 PolarHBondContact O-N 2.84Å; N415-F418 PolarHBondContact O-N 2.93Å; N415-A419 PolarHBondContact O-N 3Å; N415-A419 VanDerWaalsContact O-N 3.08Å; N415-E446 PolarHBondContact ND2-OE2 3.46Å; N415-Y448 WeakPolarHBondContact CA-OH 3.48Å; N415-Y448 HydrophobicContact CB-CE1 4.21Å; N415-Y448 WeakPolarHBondContact CB-OH 3.46Å; N415-Y448 PolarHBondContact ND2-OH 3.11Å
416C88.7Confident87.8Confident33 Ų3358.6 Ų58.622%0.22330%0.302CS..Hα-helixtrans-63-38.8174.8-68.50000111.6T130 G412 D413 I414 A419 R420T130-C416 WeakPolarHBondContact CG2-SG 3.33Å; G412-C416 PolarHBondContact O-N 3.26Å; G412-C416 PolarHBondContact O-SG 3.32Å; D413-C416 WeakPolarHBondContact O-CB 3.37Å; D413-C416 PolarHBondContact O-N 3.31Å; D413-C416 VanDerWaalsContact O-N 3.11Å; I414-C416 VanDerWaalsContact C-N 3.29Å; I414-C416 PolarHBondContact O-N 3.41Å; C416-A419 PolarHBondContact O-N 3.32Å; C416-R420 WeakPolarHBondContact O-CG 3.37Å
417D89.9Confident88.3Confident54 Ų5456 Ų5629%0.28929%0.288SS..Hα-helixtrans-69.4-44177.3-72.1-26.8000111.5D413 I414 N415 A419 R420 I427D413-D417 PolarHBondContact O-N 3.31Å; I414-D417 PolarHBondContact O-N 3.46Å; I414-D417 VanDerWaalsContact O-N 3.13Å; N415-D417 VanDerWaalsContact C-N 3.3Å; N415-D417 PolarHBondContact O-N 2.84Å; D417-A419 PolarHBondContact O-N 3.4Å; D417-A419 VanDerWaalsContact O-N 3.12Å; D417-R420 WeakPolarHBondContact O-CB 3.4Å; D417-R420 PolarHBondContact O-N 2.9Å; D417-R420 IonicContact OD1-CZ 2.85Å; D417-R420 IonicContact OD1-NE 3.44Å; D417-R420 IonicContact OD1-NH1 3.51Å; D417-R420 PolarHBondContact OD1-NH1 3.49Å; D417-I427 HydrophobicContact CB-CD1 3.78Å
418F91.2Very high88.6Confident0 Ų058.3 Ų58.30%030%0.3CS..Hα-helixtrans-57.7-28172.7-75.2-2.4000114.2I414 N415 R420 V421 E425 I427 G439 K441 E446 Y448I414-F418 HydrophobicContact CG2-CD1 4.47Å; I414-F418 HydrophobicContact CG2-CD2 4.18Å; I414-F418 HydrophobicContact CG2-CE1 4.13Å; I414-F418 HydrophobicContact CG2-CE2 3.81Å; I414-F418 HydrophobicContact CG2-CZ 3.8Å; I414-F418 WeakPolarHBondContact O-CG 3.34Å; I414-F418 PolarHBondContact O-N 2.95Å; N415-F418 PolarHBondContact O-N 2.93Å; F418-R420 VanDerWaalsContact C-N 3.33Å; F418-V421 VanDerWaalsContact O-O 3.12Å; F418-E425 HydrophobicContact CD1-CB 4.14Å; F418-E425 HydrophobicContact CD1-CG 4.32Å; F418-E425 WeakPolarHBondContact CD1-OE2 3.37Å; F418-E425 HydrophobicContact CE1-CB 3.85Å; F418-E425 HydrophobicContact CE1-CG 3.98Å; F418-I427 HydrophobicContact CD1-CD1 4.15Å; F418-I427 HydrophobicContact CE1-CD1 3.86Å; F418-I427 HydrophobicContact CE1-CG1 4.01Å; F418-G439 VanDerWaalsContact CZ-C 3.43Å; F418-K441 HydrophobicContact CB-CD 4.02Å; F418-K441 HydrophobicContact CD1-CB 4.03Å; F418-K441 HydrophobicContact CD1-CD 4.43Å; F418-K441 HydrophobicContact CD2-CB 3.86Å; F418-K441 HydrophobicContact CE1-CB 3.96Å; F418-K441 HydrophobicContact CE2-CB 3.8Å; F418-K441 HydrophobicContact CG-CB 3.97Å; F418-K441 HydrophobicContact CG-CD 4.12Å; F418-K441 HydrophobicContact CZ-CB 3.83Å; F418-K441 PolarHBondContact O-NZ 3.28Å; F418-E446 HydrophobicContact CD2-CG 4.23Å; F418-Y448 HydrophobicContact CD2-CE1 4.37Å; F418-Y448 WeakPolarHBondContact CD2-OH 3.44Å; F418-Y448 HydrophobicContact CE2-CE1 4.28Å
419A84.8Confident88.9Confident81 Ų8159.6 Ų59.667%0.66931%0.309SS*.THydrogen-bonded Turntrans-79.6-12.1176.600000113.6N415 C416 D417N415-A419 PolarHBondContact O-N 3Å; N415-A419 VanDerWaalsContact O-N 3.08Å; C416-A419 PolarHBondContact O-N 3.32Å; D417-A419 PolarHBondContact O-N 3.4Å; D417-A419 VanDerWaalsContact O-N 3.12Å
420R83.7Confident89.2Confident192 Ų19261.8 Ų61.873%0.72532%0.318SS*.THydrogen-bonded Turntrans-88-30.7-178.3-69.4169.1178.6173.6-5.6112.9C416 D417 F418C416-R420 WeakPolarHBondContact O-CG 3.37Å; D417-R420 WeakPolarHBondContact O-CB 3.4Å; D417-R420 PolarHBondContact O-N 2.9Å; D417-R420 IonicContact OD1-CZ 2.85Å; D417-R420 IonicContact OD1-NE 3.44Å; D417-R420 IonicContact OD1-NH1 3.51Å; D417-R420 PolarHBondContact OD1-NH1 3.49Å; F418-R420 VanDerWaalsContact C-N 3.33Å
421V78.6Confident89.1Confident63 Ų6361 Ų6138%0.38232%0.316SS..  trans-125.5134.1-174.3-167.20000109.3F418 E423 K441F418-V421 VanDerWaalsContact O-O 3.12Å; V421-E423 HydrophobicContact CG1-CB 3.87Å; V421-E423 HydrophobicContact CG1-CG 3.91Å; V421-E423 PolarHBondContact O-N 3.17Å; V421-K441 PolarHBondContact O-NZ 3.03Å
422D75.3Confident88.7Confident157 Ų15770.4 Ų70.484%0.8436%0.362SS*.  trans-91.521.1179.5-155.727.8000113.2K441D422-K441 IonicContact OD1-NZ 2.82Å
423E83.4Confident88.3Confident144 Ų14473.6 Ų73.667%0.67338%0.382SS*.SBendtrans-98.8163.1179.2-63.9-178177.200110.5V421 E425V421-E423 HydrophobicContact CG1-CB 3.87Å; V421-E423 HydrophobicContact CG1-CG 3.91Å; V421-E423 PolarHBondContact O-N 3.17Å; E423-E425 PolarHBondContact O-N 3.06Å
424D87Confident88.1Confident89 Ų8972.5 Ų72.548%0.47638%0.376SS..  trans-65.5131.7169.1-54.9-57.8000108.7K441 S442 D443 L479D424-K441 VanDerWaalsContact CA-O 3.32Å; D424-K441 WeakPolarHBondContact CA-O 3.44Å; D424-S442 WeakPolarHBondContact OD1-CA 3.11Å; D424-S442 PolarHBondContact OD1-OG 2.9Å; D424-D443 PolarHBondContact OD1-N 2.66Å; D424-D443 VanDerWaalsContact OD1-N 3.08Å; D424-L479 HydrophobicContact CB-CD1 4.45Å; D424-L479 WeakPolarHBondContact OD2-CD1 3.5Å
425E90.3Very high87.9Confident62 Ų6275.9 Ų75.929%0.2939%0.389SS..EExtended strand (participates in β ladder)trans-143.3141.3-172.5-168.5174-16600110.6F418 E423 I427 K440 K441F418-E425 HydrophobicContact CD1-CB 4.14Å; F418-E425 HydrophobicContact CD1-CG 4.32Å; F418-E425 WeakPolarHBondContact CD1-OE2 3.37Å; F418-E425 HydrophobicContact CE1-CB 3.85Å; F418-E425 HydrophobicContact CE1-CG 3.98Å; E423-E425 PolarHBondContact O-N 3.06Å; E425-I427 HydrophobicContact CG-CD1 4.44Å; E425-I427 HydrophobicContact CG-CG1 4.1Å; E425-K440 CarbonylContact O-C 3.6Å; E425-K440 WeakPolarHBondContact O-CA 3.39Å; E425-K441 PolarHBondContact N-O 3.42Å; E425-K441 PolarHBondContact O-N 3.41Å
426E92.5Very high87.9Confident71 Ų7176.5 Ų76.533%0.33239%0.391SS..EExtended strand (participates in β ladder)trans-127.6124.9172.7-174.6174.3-12400109.4I428 G439 K440E426-I428 HydrophobicContact CG-CD1 4.44Å; E426-I428 HydrophobicContact CG-CG1 4.26Å; E426-G439 CarbonylContact C-O 3.55Å; E426-G439 WeakPolarHBondContact CA-O 3.45Å; E426-K440 IonicContact OE1-NZ 3.87Å
427I94.3Very high88.2Confident31 Ų3175 Ų7516%0.15938%0.38CS..EExtended strand (participates in β ladder)trans-122.1122.9179.9-56.7176.4000108.3I414 D417 F418 E425 V429 V438 G439I414-I427 HydrophobicContact CD1-CG2 4.41Å; I414-I427 HydrophobicContact CG1-CB 4.31Å; I414-I427 HydrophobicContact CG1-CG2 4.01Å; I414-I427 HydrophobicContact CG2-CB 4.43Å; I414-I427 HydrophobicContact CG2-CD1 4.3Å; D417-I427 HydrophobicContact CB-CD1 3.78Å; F418-I427 HydrophobicContact CD1-CD1 4.15Å; F418-I427 HydrophobicContact CE1-CD1 3.86Å; F418-I427 HydrophobicContact CE1-CG1 4.01Å; E425-I427 HydrophobicContact CG-CD1 4.44Å; E425-I427 HydrophobicContact CG-CG1 4.1Å; I427-V429 HydrophobicContact CG2-CG2 4.05Å; I427-V438 CarbonylContact O-C 3.56Å; I427-V438 WeakPolarHBondContact O-CA 3.44Å; I427-G439 PolarHBondContact N-O 2.87Å; I427-G439 PolarHBondContact O-N 3.35Å
428I94.9Very high88.4Confident53 Ų5372.5 Ų72.527%0.27237%0.367SS..EExtended strand (participates in β ladder)trans-119.2122.4179.1-57.4171.3000109.4E426 W436 V438 L458E426-I428 HydrophobicContact CG-CD1 4.44Å; E426-I428 HydrophobicContact CG-CG1 4.26Å; I428-W436 HydrophobicContact CG2-CE3 3.77Å; I428-W436 HydrophobicContact CG2-CZ3 3.93Å; I428-V438 HydrophobicContact CG1-CG1 4.02Å; I428-V438 HydrophobicContact CG1-CG2 4.13Å; I428-V438 HydrophobicContact CG2-CG2 4.13Å; I428-L458 HydrophobicContact CB-CD1 4.12Å; I428-L458 HydrophobicContact CD1-CD1 3.65Å; I428-L458 HydrophobicContact CG1-CD1 4.47Å; I428-L458 HydrophobicContact CG2-CD1 3.63Å
429V94.6Very high88.7Confident45 Ų4572.5 Ų72.527%0.27337%0.367SS..EExtended strand (participates in β ladder)trans-121.5129.8-177.4-176.30000110I410 I414 I427 W436 V437I410-V429 HydrophobicContact CD1-CG1 4.38Å; I410-V429 HydrophobicContact CG2-CB 3.99Å; I410-V429 HydrophobicContact CG2-CG1 4.01Å; I410-V429 HydrophobicContact CG2-CG2 4.07Å; I414-V429 HydrophobicContact CD1-CG2 4.34Å; I427-V429 HydrophobicContact CG2-CG2 4.05Å; V429-W436 WeakPolarHBondContact O-CA 3.48Å; V429-V437 HydrophobicContact CB-CB 4.47Å; V429-V437 PolarHBondContact N-O 3Å; V429-V437 PolarHBondContact O-N 3.25Å
430K92.2Very high89.1Confident106 Ų10669.2 Ų69.246%0.46134%0.338SS..EExtended strand (participates in β ladder)trans-96.7111.6167.4-169.6175.5-171.7163.30109.4W436K430-W436 HydrophobicContact CB-CD2 4.21Å; K430-W436 HydrophobicContact CB-CE3 3.9Å; K430-W436 HydrophobicContact CB-CH2 4.06Å; K430-W436 HydrophobicContact CB-CZ2 4.34Å; K430-W436 HydrophobicContact CB-CZ3 3.83Å; K430-W436 HydrophobicContact CD-CH2 3.89Å; K430-W436 HydrophobicContact CD-CZ2 3.56Å; K430-W436 HydrophobicContact CG-CD2 4.16Å; K430-W436 HydrophobicContact CG-CE3 4.36Å; K430-W436 HydrophobicContact CG-CH2 4.26Å; K430-W436 HydrophobicContact CG-CZ2 4.05Å; K430-W436 HydrophobicContact CG-CZ3 4.41Å
431A89.5Confident89.5Confident13 Ų1361.2 Ų61.211%0.10731%0.308CS..  trans-73.8155.6177.400000111.5L407 I410 T433 D434 Y435L407-A431 HydrophobicContact CD2-CB 3.98Å; I410-A431 HydrophobicContact CD1-CB 3.97Å; A431-T433 PolarHBondContact O-N 2.78Å; A431-T433 VanDerWaalsContact O-N 3.15Å; A431-D434 PolarHBondContact O-N 3.24Å; A431-Y435 PolarHBondContact N-O 3.23Å
432M84.3Confident90Very high198 Ų19858.2 Ų58.298%0.97529%0.29SS*.THydrogen-bonded Turntrans-63-19.4175-66.7-166.9-7400113.2D434M432-D434 PolarHBondContact O-N 3.27Å
433T82.2Confident90.5Very high67 Ų6754.7 Ų54.741%0.41127%0.271SS..THydrogen-bonded Turntrans-85.71717949.70000113.4A431 Y435A431-T433 PolarHBondContact O-N 2.78Å; A431-T433 VanDerWaalsContact O-N 3.15Å; T433-Y435 VanDerWaalsContact O-CD2 3.25Å; T433-Y435 WeakPolarHBondContact O-CD2 3.38Å; T433-Y435 PolarHBondContact O-N 2.84Å; T433-Y435 WeakPolarHBondContact OG1-CD2 3.49Å
434D85.8Confident90.7Very high50 Ų5052.9 Ų52.927%0.26726%0.263SS..SBendtrans65.712.2-178.2-66.6-39.4000115A431 M432 K454A431-D434 PolarHBondContact O-N 3.24Å; M432-D434 PolarHBondContact O-N 3.27Å; D434-K454 HydrophobicContact CB-CB 3.98Å; D434-K454 HydrophobicContact CB-CD 4.38Å; D434-K454 HydrophobicContact CB-CG 3.94Å; D434-K454 VanDerWaalsContact OD2-CD 3.27Å; D434-K454 WeakPolarHBondContact OD2-CD 3.24Å; D434-K454 WeakPolarHBondContact OD2-CE 3.19Å; D434-K454 IonicContact OD2-NZ 3.62Å; D434-K454 PolarHBondContact OD2-NZ 3.17Å
435Y90.3Very high90.9Very high76 Ų7650.3 Ų50.330%0.29825%0.246SC..EExtended strand (participates in β ladder)trans-88.3148.2172.2-74.9-94.5000111.8L407 A431 T433 I450 L451 N452L407-Y435 HydrophobicContact CD1-CD1 3.91Å; L407-Y435 HydrophobicContact CD1-CD2 4.14Å; L407-Y435 HydrophobicContact CD1-CE1 4.25Å; L407-Y435 HydrophobicContact CD1-CE2 4.5Å; L407-Y435 HydrophobicContact CD1-CG 3.84Å; L407-Y435 HydrophobicContact CD2-CG 4.22Å; A431-Y435 PolarHBondContact N-O 3.23Å; T433-Y435 VanDerWaalsContact O-CD2 3.25Å; T433-Y435 WeakPolarHBondContact O-CD2 3.38Å; T433-Y435 PolarHBondContact O-N 2.84Å; T433-Y435 WeakPolarHBondContact OG1-CD2 3.49Å; Y435-I450 HydrophobicContact CD1-CG2 3.7Å; Y435-I450 HydrophobicContact CE1-CG2 4.32Å; Y435-L451 WeakPolarHBondContact CA-O 3.5Å; Y435-N452 HydrophobicContact CD1-CB 3.95Å; Y435-N452 HydrophobicContact CE1-CB 3.57Å; Y435-N452 PolarHBondContact OH-ND2 3Å
436W92.9Very high91Very high22 Ų2247.9 Ų47.98%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-105.9135.4167.4-66.588.9000109.9I428 V429 K430 I450 L451 Q453 A456 L458 V461I428-W436 HydrophobicContact CG2-CE3 3.77Å; I428-W436 HydrophobicContact CG2-CZ3 3.93Å; V429-W436 WeakPolarHBondContact O-CA 3.48Å; K430-W436 HydrophobicContact CB-CD2 4.21Å; K430-W436 HydrophobicContact CB-CE3 3.9Å; K430-W436 HydrophobicContact CB-CH2 4.06Å; K430-W436 HydrophobicContact CB-CZ2 4.34Å; K430-W436 HydrophobicContact CB-CZ3 3.83Å; K430-W436 HydrophobicContact CD-CH2 3.89Å; K430-W436 HydrophobicContact CD-CZ2 3.56Å; K430-W436 HydrophobicContact CG-CD2 4.16Å; K430-W436 HydrophobicContact CG-CE3 4.36Å; K430-W436 HydrophobicContact CG-CH2 4.26Å; K430-W436 HydrophobicContact CG-CZ2 4.05Å; K430-W436 HydrophobicContact CG-CZ3 4.41Å; W436-I450 CarbonylContact O-C 3.59Å; W436-I450 WeakPolarHBondContact O-CA 3.47Å; W436-L451 HydrophobicContact CB-CB 4.26Å; W436-L451 PolarHBondContact N-O 3.41Å; W436-L451 PolarHBondContact O-N 2.89Å; W436-Q453 PolarHBondContact NE1-O 2.82Å; W436-A456 VanDerWaalsContact CZ2-O 3.29Å; W436-A456 WeakPolarHBondContact CZ2-O 3.21Å; W436-L458 HydrophobicContact CZ3-CD1 4.21Å; W436-V461 HydrophobicContact CB-CG1 4.34Å; W436-V461 HydrophobicContact CB-CG2 4.23Å; W436-V461 HydrophobicContact CD2-CG1 4.49Å; W436-V461 HydrophobicContact CD2-CG2 3.64Å; W436-V461 HydrophobicContact CE3-CG1 4.42Å; W436-V461 HydrophobicContact CE3-CG2 4.19Å; W436-V461 HydrophobicContact CG-CG1 4.49Å; W436-V461 HydrophobicContact CG-CG2 3.64Å; W436-V461 HydrophobicContact CZ2-CG2 4.36Å
437V94.7Very high91.1Very high0 Ų044.5 Ų44.50%022%0.219CC..EExtended strand (participates in β ladder)trans-120.2123.1174.6-1740000108L407 I410 L411 I414 V429 V449 I450L407-V437 HydrophobicContact CD2-CG2 3.96Å; I410-V437 HydrophobicContact CB-CG2 4.46Å; I410-V437 HydrophobicContact CD1-CG2 4.41Å; I410-V437 HydrophobicContact CG2-CB 3.86Å; I410-V437 HydrophobicContact CG2-CG1 3.86Å; I410-V437 HydrophobicContact CG2-CG2 4.05Å; L411-V437 HydrophobicContact CD2-CG1 3.48Å; L411-V437 VanDerWaalsContact CD2-CG1 3.48Å; L411-V437 HydrophobicContact CG-CG1 4.33Å; I414-V437 HydrophobicContact CD1-CG1 3.78Å; V429-V437 HydrophobicContact CB-CB 4.47Å; V429-V437 PolarHBondContact N-O 3Å; V429-V437 PolarHBondContact O-N 3.25Å; V437-V449 CarbonylContact C-O 3.4Å; V437-V449 VanDerWaalsContact CA-O 3.32Å; V437-V449 WeakPolarHBondContact CA-O 3.46Å; V437-I450 HydrophobicContact CG2-CG1 4.48Å
438V95Very high91.2Very high2 Ų243 Ų431%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-119.3122.7-179.7-178.70000108.2I427 I428 Y448 V449 V461 V465I427-V438 CarbonylContact O-C 3.56Å; I427-V438 WeakPolarHBondContact O-CA 3.44Å; I428-V438 HydrophobicContact CG1-CG1 4.02Å; I428-V438 HydrophobicContact CG1-CG2 4.13Å; I428-V438 HydrophobicContact CG2-CG2 4.13Å; V438-Y448 CarbonylContact O-C 3.51Å; V438-Y448 VanDerWaalsContact O-CA 3.3Å; V438-Y448 WeakPolarHBondContact O-CA 3.44Å; V438-V449 HydrophobicContact CB-CB 4.35Å; V438-V449 PolarHBondContact N-O 3.35Å; V438-V449 PolarHBondContact O-N 2.82Å; V438-V461 HydrophobicContact CG2-CG1 3.82Å; V438-V465 HydrophobicContact CB-CG2 4.21Å; V438-V465 HydrophobicContact CG1-CG1 4.49Å; V438-V465 HydrophobicContact CG1-CG2 4.25Å; V438-V465 HydrophobicContact CG2-CG2 4.01Å
439G95.4Very high91.1Very high0 Ų040.6 Ų40.60%020%0.199CC..EExtended strand (participates in β ladder)trans-104.7136.5166.400000109.7F418 E426 I427 L447F418-G439 VanDerWaalsContact CZ-C 3.43Å; E426-G439 CarbonylContact C-O 3.55Å; E426-G439 WeakPolarHBondContact CA-O 3.45Å; I427-G439 PolarHBondContact N-O 2.87Å; I427-G439 PolarHBondContact O-N 3.35Å; G439-L447 CarbonylContact C-O 3.45Å; G439-L447 WeakPolarHBondContact CA-O 3.48Å
440K93.7Very high91Very high13 Ų1338.7 Ų38.76%0.05719%0.188CC..EExtended strand (participates in β ladder)trans-133.7122172.9-168.6163.6-168.2160.50110.2E425 E426 E446 L447 F478 L479E425-K440 CarbonylContact O-C 3.6Å; E425-K440 WeakPolarHBondContact O-CA 3.39Å; E426-K440 IonicContact OE1-NZ 3.87Å; K440-E446 CarbonylContact O-C 3.58Å; K440-E446 WeakPolarHBondContact O-CA 3.36Å; K440-L447 HydrophobicContact CB-CB 4.44Å; K440-L447 PolarHBondContact N-O 3.45Å; K440-L447 PolarHBondContact O-N 3.45Å; K440-F478 HydrophobicContact CD-CB 4.1Å; K440-F478 HydrophobicContact CD-CD1 4.49Å; K440-F478 HydrophobicContact CG-CD1 4.43Å; K440-L479 WeakPolarHBondContact CE-O 3.28Å; K440-L479 PolarHBondContact NZ-O 3.49Å
441K92.4Very high90.9Very high23 Ų2333.8 Ų33.810%0.117%0.166CC..EExtended strand (participates in β ladder)trans-109.5122.5172.5-176.9-178.7178.2-1750108.2F418 V421 D422 D424 E425 R445 E446F418-K441 HydrophobicContact CB-CD 4.02Å; F418-K441 HydrophobicContact CD1-CB 4.03Å; F418-K441 HydrophobicContact CD1-CD 4.43Å; F418-K441 HydrophobicContact CD2-CB 3.86Å; F418-K441 HydrophobicContact CE1-CB 3.96Å; F418-K441 HydrophobicContact CE2-CB 3.8Å; F418-K441 HydrophobicContact CG-CB 3.97Å; F418-K441 HydrophobicContact CG-CD 4.12Å; F418-K441 HydrophobicContact CZ-CB 3.83Å; F418-K441 PolarHBondContact O-NZ 3.28Å; V421-K441 PolarHBondContact O-NZ 3.03Å; D422-K441 IonicContact OD1-NZ 2.82Å; D424-K441 VanDerWaalsContact CA-O 3.32Å; D424-K441 WeakPolarHBondContact CA-O 3.44Å; E425-K441 PolarHBondContact N-O 3.42Å; E425-K441 PolarHBondContact O-N 3.41Å; K441-R445 CarbonylContact C-O 3.52Å; K441-R445 VanDerWaalsContact CA-O 3.31Å; K441-R445 WeakPolarHBondContact CA-O 3.49Å; K441-E446 HydrophobicContact CG-CG 4.32Å
442S90.2Very high90.8Very high1 Ų137.7 Ų37.71%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-150.4130.3174.6-174.40000112.2D424 Q444 R445 L479D424-S442 WeakPolarHBondContact OD1-CA 3.11Å; D424-S442 PolarHBondContact OD1-OG 2.9Å; S442-Q444 PolarHBondContact O-N 2.97Å; S442-R445 PolarHBondContact N-O 3.25Å; S442-R445 WeakPolarHBondContact O-CA 3.45Å; S442-R445 VanDerWaalsContact O-CB 3.26Å; S442-R445 WeakPolarHBondContact O-CB 3.18Å; S442-R445 PolarHBondContact O-N 2.86Å; S442-L479 PolarHBondContact OG-N 3.24Å; S442-L479 VanDerWaalsContact OG-N 3.1Å
443D84.9Confident90.7Very high83 Ų8330.3 Ų30.344%0.44415%0.148SC..THydrogen-bonded Turntrans4656.1172.9-178.343.4000113.1D424 R445D424-D443 PolarHBondContact OD1-N 2.66Å; D424-D443 VanDerWaalsContact OD1-N 3.08Å; D443-R445 PolarHBondContact O-N 2.62Å; D443-R445 IonicContact OD2-CZ 2.76Å; D443-R445 VanDerWaalsContact OD2-CZ 3.32Å; D443-R445 IonicContact OD2-NH1 3.91Å; D443-R445 PolarHBondContact OD2-NH1 2.86Å; D443-R445 IonicContact OD2-NH2 3.51Å; D443-R445 PolarHBondContact OD2-NH2 3.09Å
444Q86.9Confident90.6Very high106 Ų10632.8 Ų32.850%0.49515%0.154SC..THydrogen-bonded Turntrans63.417.5-177.9-58.6-170.915.500115.4H381 M382 S442H381-Q444 HydrophobicContact CB-CB 4.14Å; H381-Q444 WeakPolarHBondContact CB-O 3.31Å; H381-Q444 PolarHBondContact CD2-O 3.18Å; H381-Q444 VanDerWaalsContact CD2-O 3.25Å; H381-Q444 PolarHBondContact N-O 3.22Å; M382-Q444 HydrophobicContact CG-CB 4.05Å; S442-Q444 PolarHBondContact O-N 2.97Å
445R91.4Very high90.6Very high35 Ų3537.5 Ų37.513%0.13218%0.179CC..EExtended strand (participates in β ladder)trans-116.8140.9175.8-53.4176.5-169.896.524109.7Y378 F379 N380 K441 S442 D443 F477 F478Y378-R445 HydrophobicContact CE2-CB 4.16Å; F379-R445 CarbonylContact O-C 3.59Å; F379-R445 WeakPolarHBondContact O-CA 3.37Å; N380-R445 HydrophobicContact CB-CG 4.49Å; K441-R445 CarbonylContact C-O 3.52Å; K441-R445 VanDerWaalsContact CA-O 3.31Å; K441-R445 WeakPolarHBondContact CA-O 3.49Å; S442-R445 PolarHBondContact N-O 3.25Å; S442-R445 WeakPolarHBondContact O-CA 3.45Å; S442-R445 VanDerWaalsContact O-CB 3.26Å; S442-R445 WeakPolarHBondContact O-CB 3.18Å; S442-R445 PolarHBondContact O-N 2.86Å; D443-R445 PolarHBondContact O-N 2.62Å; D443-R445 IonicContact OD2-CZ 2.76Å; D443-R445 VanDerWaalsContact OD2-CZ 3.32Å; D443-R445 IonicContact OD2-NH1 3.91Å; D443-R445 PolarHBondContact OD2-NH1 2.86Å; D443-R445 IonicContact OD2-NH2 3.51Å; D443-R445 PolarHBondContact OD2-NH2 3.09Å; R445-F477 PolarHBondContact NH1-O 3.19Å; R445-F477 VanDerWaalsContact NH1-O 3.08Å; R445-F478 HydrophobicContact CB-CE1 3.98Å
446E93.9Very high90.4Very high10 Ų1034.3 Ų34.35%0.04717%0.168CC..EExtended strand (participates in β ladder)trans-123131.4174.7-62.1-179.5-15500109.3F188 Y378 F379 H381 N415 F418 K440 K441 Y448F188-E446 VanDerWaalsContact CE1-OE2 3.31Å; F188-E446 WeakPolarHBondContact CE1-OE2 3.31Å; Y378-E446 CarbonylContact C-O 3.56Å; Y378-E446 WeakPolarHBondContact CA-O 3.07Å; F379-E446 PolarHBondContact N-O 2.65Å; F379-E446 PolarHBondContact O-N 3.18Å; H381-E446 IonicContact CD2-OE1 2.69Å; H381-E446 IonicContact CE1-OE1 3.84Å; H381-E446 IonicContact NE2-OE1 3.48Å; H381-E446 PolarHBondContact NE2-OE1 3.28Å; N415-E446 PolarHBondContact ND2-OE2 3.46Å; F418-E446 HydrophobicContact CD2-CG 4.23Å; K440-E446 CarbonylContact O-C 3.58Å; K440-E446 WeakPolarHBondContact O-CA 3.36Å; K441-E446 HydrophobicContact CG-CG 4.32Å; E446-Y448 HydrophobicContact CB-CE2 3.67Å; E446-Y448 WeakPolarHBondContact OE2-CE2 3.15Å; E446-Y448 PolarHBondContact OE2-OH 3.44Å
447L94.4Very high90.2Very high1 Ų136.9 Ų36.91%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-126.1128.1175.5177.166.4000108.8F376 I377 G439 K440 V449 F473 F478F376-L447 HydrophobicContact CB-CD1 4.33Å; F376-L447 HydrophobicContact CD2-CD1 4.43Å; I377-L447 CarbonylContact O-C 3.56Å; I377-L447 WeakPolarHBondContact O-CA 3.29Å; G439-L447 CarbonylContact C-O 3.45Å; G439-L447 WeakPolarHBondContact CA-O 3.48Å; K440-L447 HydrophobicContact CB-CB 4.44Å; K440-L447 PolarHBondContact N-O 3.45Å; K440-L447 PolarHBondContact O-N 3.45Å; L447-V449 HydrophobicContact CD1-CG2 4.18Å; L447-V449 HydrophobicContact CD2-CG2 4.05Å; L447-V449 HydrophobicContact CG-CG2 3.83Å; L447-F473 HydrophobicContact CD1-CD2 4.5Å; L447-F473 HydrophobicContact CD1-CE2 3.63Å; L447-F473 HydrophobicContact CD1-CZ 3.79Å; L447-F473 HydrophobicContact CD2-CE2 4.37Å; L447-F478 HydrophobicContact CB-CE1 3.77Å; L447-F478 HydrophobicContact CB-CZ 3.84Å; L447-F478 HydrophobicContact CD2-CE2 4.23Å; L447-F478 HydrophobicContact CD2-CZ 4.11Å; L447-F478 HydrophobicContact CG-CZ 4.47Å
448Y94.8Very high90Very high0 Ų041.5 Ų41.50%021%0.208CC..EExtended strand (participates in β ladder)trans-120.7130.2175.1-57.1-101.3000108.8L184 F188 F376 I377 L411 I414 N415 F418 V438 E446L184-Y448 HydrophobicContact CD2-CD1 4.15Å; L184-Y448 HydrophobicContact CD2-CD2 4.11Å; L184-Y448 HydrophobicContact CD2-CE1 3.96Å; L184-Y448 HydrophobicContact CD2-CE2 3.98Å; L184-Y448 HydrophobicContact CD2-CG 4.22Å; F188-Y448 HydrophobicContact CE1-CE2 4.45Å; F188-Y448 HydrophobicContact CE2-CD2 4.46Å; F188-Y448 HydrophobicContact CE2-CE2 4.02Å; F188-Y448 HydrophobicContact CZ-CD2 4.29Å; F188-Y448 AromaticContact CZ-CE2 3.43Å; F188-Y448 HydrophobicContact CZ-CE2 3.43Å; F188-Y448 VanDerWaalsContact CZ-CE2 3.43Å; F188-Y448 AromaticContact CZ-CZ 3.93Å; F376-Y448 CarbonylContact C-O 3.57Å; F376-Y448 WeakPolarHBondContact CA-O 3.42Å; F376-Y448 WeakPolarHBondContact CB-O 3.36Å; I377-Y448 HydrophobicContact CB-CD2 4.34Å; I377-Y448 PolarHBondContact N-O 2.91Å; I377-Y448 PolarHBondContact O-N 3.04Å; L411-Y448 HydrophobicContact CB-CD1 4.5Å; L411-Y448 HydrophobicContact CD2-CD1 3.84Å; L411-Y448 HydrophobicContact CD2-CG 4.17Å; I414-Y448 HydrophobicContact CB-CE1 4.17Å; I414-Y448 HydrophobicContact CG2-CD1 4.09Å; I414-Y448 HydrophobicContact CG2-CE1 3.66Å; N415-Y448 WeakPolarHBondContact CA-OH 3.48Å; N415-Y448 HydrophobicContact CB-CE1 4.21Å; N415-Y448 WeakPolarHBondContact CB-OH 3.46Å; N415-Y448 PolarHBondContact ND2-OH 3.11Å; F418-Y448 HydrophobicContact CD2-CE1 4.37Å; F418-Y448 WeakPolarHBondContact CD2-OH 3.44Å; F418-Y448 HydrophobicContact CE2-CE1 4.28Å; V438-Y448 CarbonylContact O-C 3.51Å; V438-Y448 VanDerWaalsContact O-CA 3.3Å; V438-Y448 WeakPolarHBondContact O-CA 3.44Å; E446-Y448 HydrophobicContact CB-CE2 3.67Å; E446-Y448 WeakPolarHBondContact OE2-CE2 3.15Å; E446-Y448 PolarHBondContact OE2-OH 3.44Å
449V93.9Very high89.8Confident1 Ų147 Ų471%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-130.1135.1-175.1-170.50000109.7F374 K375 F376 V437 V438 L447 L451 V465 L468F374-V449 HydrophobicContact CB-CG1 4.38Å; K375-V449 CarbonylContact O-C 3.53Å; K375-V449 WeakPolarHBondContact O-CA 3.36Å; F376-V449 HydrophobicContact CB-CG2 4.43Å; V437-V449 CarbonylContact C-O 3.4Å; V437-V449 VanDerWaalsContact CA-O 3.32Å; V437-V449 WeakPolarHBondContact CA-O 3.46Å; V438-V449 HydrophobicContact CB-CB 4.35Å; V438-V449 PolarHBondContact N-O 3.35Å; V438-V449 PolarHBondContact O-N 2.82Å; L447-V449 HydrophobicContact CD1-CG2 4.18Å; L447-V449 HydrophobicContact CD2-CG2 4.05Å; L447-V449 HydrophobicContact CG-CG2 3.83Å; V449-L451 HydrophobicContact CG1-CD2 3.75Å; V449-L451 HydrophobicContact CG1-CG 4.07Å; V449-V465 HydrophobicContact CG1-CG2 4.45Å; V449-L468 HydrophobicContact CB-CD2 4.39Å; V449-L468 HydrophobicContact CG1-CD2 3.77Å; V449-L468 HydrophobicContact CG2-CD2 3.64Å
450I92.3Very high89.5Confident6 Ų651.1 Ų51.13%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-115.3124.6172.4-58.6177.5000108.2F374 K375 I390 V403 L407 L411 Y435 W436 V437F374-I450 VanDerWaalsContact CA-O 3.3Å; F374-I450 WeakPolarHBondContact CA-O 3.45Å; K375-I450 HydrophobicContact CB-CB 4.37Å; K375-I450 PolarHBondContact N-O 3.08Å; K375-I450 PolarHBondContact O-N 2.67Å; I390-I450 HydrophobicContact CD1-CD1 3.95Å; V403-I450 HydrophobicContact CB-CD1 4.35Å; V403-I450 HydrophobicContact CG1-CD1 3.5Å; V403-I450 HydrophobicContact CG2-CD1 3.83Å; L407-I450 HydrophobicContact CB-CD1 4.19Å; L407-I450 HydrophobicContact CD1-CD1 4.47Å; L407-I450 HydrophobicContact CD1-CG2 4.02Å; L411-I450 HydrophobicContact CD1-CD1 4.1Å; L411-I450 HydrophobicContact CD2-CG1 4.48Å; Y435-I450 HydrophobicContact CD1-CG2 3.7Å; Y435-I450 HydrophobicContact CE1-CG2 4.32Å; W436-I450 CarbonylContact O-C 3.59Å; W436-I450 WeakPolarHBondContact O-CA 3.47Å; V437-I450 HydrophobicContact CG2-CG1 4.48Å
451L90.2Very high89.3Confident3 Ų350.5 Ų50.52%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-119.9134.5178-52.9173.7000110.2F374 Y435 W436 V449 V461 E464 V465F374-L451 HydrophobicContact CB-CD2 3.38Å; Y435-L451 WeakPolarHBondContact CA-O 3.5Å; W436-L451 HydrophobicContact CB-CB 4.26Å; W436-L451 PolarHBondContact N-O 3.41Å; W436-L451 PolarHBondContact O-N 2.89Å; V449-L451 HydrophobicContact CG1-CD2 3.75Å; V449-L451 HydrophobicContact CG1-CG 4.07Å; L451-V461 HydrophobicContact CD1-CB 4.45Å; L451-V461 HydrophobicContact CD1-CG1 3.9Å; L451-V461 HydrophobicContact CD1-CG2 4.44Å; L451-E464 HydrophobicContact CD1-CB 4.29Å; L451-E464 HydrophobicContact CD1-CG 4.37Å; L451-E464 HydrophobicContact CD2-CG 4.27Å; L451-V465 HydrophobicContact CD1-CG2 4.24Å
452N86.7Confident89.2Confident95 Ų9551.5 Ų51.551%0.50826%0.259SS..EExtended strand (participates in β ladder)trans-99.583.1170.5-171.7-5.9000109.8Y435Y435-N452 HydrophobicContact CD1-CB 3.95Å; Y435-N452 HydrophobicContact CE1-CB 3.57Å; Y435-N452 PolarHBondContact OH-ND2 3Å
453Q82.6Confident89.1Confident42 Ų4256.8 Ų56.820%0.19628%0.283CS..  trans-133.682.4-180-65-169.8-100110.9W436 N455 A456W436-Q453 PolarHBondContact NE1-O 2.82Å; Q453-N455 VanDerWaalsContact C-N 3.33Å; Q453-N455 PolarHBondContact O-N 2.98Å; Q453-A456 HydrophobicContact CB-CB 3.54Å; Q453-A456 WeakPolarHBondContact O-CB 3.46Å; Q453-A456 PolarHBondContact O-N 2.84Å; Q453-A456 VanDerWaalsContact O-N 3.09Å; Q453-A456 VanDerWaalsContact OE1-CB 3.31Å
454K80.4Confident89.2Confident120 Ų12054.4 Ų54.452%0.52227%0.269SS..THydrogen-bonded Turntrans-50.3-46.5-174.2175.5166.4-174.7135.30114.9D434D434-K454 HydrophobicContact CB-CB 3.98Å; D434-K454 HydrophobicContact CB-CD 4.38Å; D434-K454 HydrophobicContact CB-CG 3.94Å; D434-K454 VanDerWaalsContact OD2-CD 3.27Å; D434-K454 WeakPolarHBondContact OD2-CD 3.24Å; D434-K454 WeakPolarHBondContact OD2-CE 3.19Å; D434-K454 IonicContact OD2-NZ 3.62Å; D434-K454 PolarHBondContact OD2-NZ 3.17Å
455N84.7Confident89.3Confident149 Ų14949.5 Ų49.580%0.79725%0.247SC*.THydrogen-bonded Turntrans-96.23.6-175.3-63.7-29000113.2Q453Q453-N455 VanDerWaalsContact C-N 3.33Å; Q453-N455 PolarHBondContact O-N 2.98Å
456A86.4Confident89.1Confident9 Ų951.3 Ų51.37%0.07426%0.256CS..  trans-72.1146.5-179.200000111.5W436 Q453 E460 V461W436-A456 VanDerWaalsContact CZ2-O 3.29Å; W436-A456 WeakPolarHBondContact CZ2-O 3.21Å; Q453-A456 HydrophobicContact CB-CB 3.54Å; Q453-A456 WeakPolarHBondContact O-CB 3.46Å; Q453-A456 PolarHBondContact O-N 2.84Å; Q453-A456 VanDerWaalsContact O-N 3.09Å; Q453-A456 VanDerWaalsContact OE1-CB 3.31Å; A456-E460 WeakPolarHBondContact CA-OE2 3.47Å; A456-E460 HydrophobicContact CB-CB 4.28Å; A456-V461 HydrophobicContact CB-CG2 4.03Å
457N89.9Confident88.8Confident75 Ų7556.9 Ų56.940%0.40128%0.276SS..  trans-95.9174168.669.256.2000111.2I459 E460 V461N457-I459 VanDerWaalsContact C-N 3.27Å; N457-I459 PolarHBondContact O-N 3.39Å; N457-I459 WeakPolarHBondContact OD1-CA 3.41Å; N457-I459 WeakPolarHBondContact OD1-CB 3.13Å; N457-I459 PolarHBondContact OD1-N 3.46Å; N457-E460 PolarHBondContact N-OE2 3.09Å; N457-E460 PolarHBondContact ND2-OE1 2.84Å; N457-E460 PolarHBondContact ND2-OE2 3.22Å; N457-E460 PolarHBondContact O-N 2.95Å; N457-E460 PolarHBondContact OD1-N 3.35Å; N457-V461 WeakPolarHBondContact O-CG2 3.25Å; N457-V461 PolarHBondContact O-N 3.31Å; N457-V461 VanDerWaalsContact O-N 3.08Å
458L89.6Confident88.3Confident98 Ų9857 Ų5751%0.51328%0.277SS..Hα-helixtrans-60.2-35.4-176.7-175.463.1000113.3I428 W436 N462I428-L458 HydrophobicContact CB-CD1 4.12Å; I428-L458 HydrophobicContact CD1-CD1 3.65Å; I428-L458 HydrophobicContact CG1-CD1 4.47Å; I428-L458 HydrophobicContact CG2-CD1 3.63Å; W436-L458 HydrophobicContact CZ3-CD1 4.21Å; L458-N462 WeakPolarHBondContact O-CB 3.2Å; L458-N462 PolarHBondContact O-N 3.23Å
459I90.2Very high87.9Confident118 Ų11858 Ų5861%0.60528%0.283SS*.Hα-helixtrans-69.3-46.7-178.7-59.1169.7000109.6N457 V461 N462 E463N457-I459 VanDerWaalsContact C-N 3.27Å; N457-I459 PolarHBondContact O-N 3.39Å; N457-I459 WeakPolarHBondContact OD1-CA 3.41Å; N457-I459 WeakPolarHBondContact OD1-CB 3.13Å; N457-I459 PolarHBondContact OD1-N 3.46Å; I459-V461 VanDerWaalsContact C-N 3.32Å; I459-V461 PolarHBondContact O-N 2.92Å; I459-N462 PolarHBondContact O-N 3.28Å; I459-E463 WeakPolarHBondContact O-CG 3.12Å; I459-E463 PolarHBondContact O-N 2.75Å
460E89.4Confident87.3Confident86 Ų8660.6 Ų60.640%0.40231%0.305SS..Hα-helixtrans-61.4-41178.1-68.1165.9162.800111.6A456 N457 E463 E464A456-E460 WeakPolarHBondContact CA-OE2 3.47Å; A456-E460 HydrophobicContact CB-CB 4.28Å; N457-E460 PolarHBondContact N-OE2 3.09Å; N457-E460 PolarHBondContact ND2-OE1 2.84Å; N457-E460 PolarHBondContact ND2-OE2 3.22Å; N457-E460 PolarHBondContact O-N 2.95Å; N457-E460 PolarHBondContact OD1-N 3.35Å; E460-E463 PolarHBondContact O-N 3.13Å; E460-E464 WeakPolarHBondContact O-CB 3.45Å; E460-E464 PolarHBondContact O-N 3.25Å
461V90.2Very high86.7Confident0 Ų064.1 Ų64.10%033%0.327CS..Hα-helixtrans-61.8-45.6174.6165.50000111.3W436 V438 L451 A456 N457 I459 E464 V465W436-V461 HydrophobicContact CB-CG1 4.34Å; W436-V461 HydrophobicContact CB-CG2 4.23Å; W436-V461 HydrophobicContact CD2-CG1 4.49Å; W436-V461 HydrophobicContact CD2-CG2 3.64Å; W436-V461 HydrophobicContact CE3-CG1 4.42Å; W436-V461 HydrophobicContact CE3-CG2 4.19Å; W436-V461 HydrophobicContact CG-CG1 4.49Å; W436-V461 HydrophobicContact CG-CG2 3.64Å; W436-V461 HydrophobicContact CZ2-CG2 4.36Å; V438-V461 HydrophobicContact CG2-CG1 3.82Å; L451-V461 HydrophobicContact CD1-CB 4.45Å; L451-V461 HydrophobicContact CD1-CG1 3.9Å; L451-V461 HydrophobicContact CD1-CG2 4.44Å; A456-V461 HydrophobicContact CB-CG2 4.03Å; N457-V461 WeakPolarHBondContact O-CG2 3.25Å; N457-V461 PolarHBondContact O-N 3.31Å; N457-V461 VanDerWaalsContact O-N 3.08Å; I459-V461 VanDerWaalsContact C-N 3.32Å; I459-V461 PolarHBondContact O-N 2.92Å; V461-E464 PolarHBondContact O-N 3.15Å; V461-V465 WeakPolarHBondContact O-CG2 3.25Å; V461-V465 PolarHBondContact O-N 3.21Å
462N89.4Confident86.1Confident43 Ų4368.1 Ų68.123%0.2335%0.346CS..Hα-helixtrans-63.1-45178.1-169.312.7000111.6L458 I459 E464 V465 K466L458-N462 WeakPolarHBondContact O-CB 3.2Å; L458-N462 PolarHBondContact O-N 3.23Å; I459-N462 PolarHBondContact O-N 3.28Å; N462-E464 VanDerWaalsContact C-N 3.29Å; N462-E464 PolarHBondContact O-N 3.25Å; N462-V465 PolarHBondContact O-N 3.37Å; N462-K466 WeakPolarHBondContact O-CG 3.19Å; N462-K466 PolarHBondContact O-N 3.43Å
463E89.1Confident85.7Confident113 Ų11363.8 Ų63.853%0.52832%0.323SS..Hα-helixtrans-60.2-38.1175.7-73.4-175.4176.500112.6I459 E460 K466 R467I459-E463 WeakPolarHBondContact O-CG 3.12Å; I459-E463 PolarHBondContact O-N 2.75Å; E460-E463 PolarHBondContact O-N 3.13Å; E463-K466 PolarHBondContact O-N 2.7Å; E463-R467 WeakPolarHBondContact O-CB 3.39Å; E463-R467 PolarHBondContact O-N 3.09Å
464E87.9Confident85Confident32 Ų3267.1 Ų67.115%0.1534%0.341CS..Hα-helixtrans-64.4-44.3175.5-163.966.6-135.200111.6L451 E460 V461 N462 R467 L468L451-E464 HydrophobicContact CD1-CB 4.29Å; L451-E464 HydrophobicContact CD1-CG 4.37Å; L451-E464 HydrophobicContact CD2-CG 4.27Å; E460-E464 WeakPolarHBondContact O-CB 3.45Å; E460-E464 PolarHBondContact O-N 3.25Å; V461-E464 PolarHBondContact O-N 3.15Å; N462-E464 VanDerWaalsContact C-N 3.29Å; N462-E464 PolarHBondContact O-N 3.25Å; E464-R467 WeakPolarHBondContact O-CB 3.34Å; E464-R467 PolarHBondContact O-N 2.74Å; E464-R467 IonicContact OE1-CZ 3.1Å; E464-R467 IonicContact OE1-NH1 2.71Å; E464-R467 PolarHBondContact OE1-NH1 2.81Å; E464-R467 IonicContact OE2-CZ 3.81Å; E464-R467 IonicContact OE2-NH1 3.77Å; E464-R467 PolarHBondContact OE2-NH1 2.64Å; E464-R467 IonicContact OE2-NH2 3.53Å; E464-L468 PolarHBondContact O-N 3.39Å
465V88.5Confident84.3Confident3 Ų369.4 Ų69.42%0.01836%0.36CS..Hα-helixtrans-65.1-40.3176.8174.90000111.1V438 V449 L451 V461 N462 R467 L468 C469V438-V465 HydrophobicContact CB-CG2 4.21Å; V438-V465 HydrophobicContact CG1-CG1 4.49Å; V438-V465 HydrophobicContact CG1-CG2 4.25Å; V438-V465 HydrophobicContact CG2-CG2 4.01Å; V449-V465 HydrophobicContact CG1-CG2 4.45Å; L451-V465 HydrophobicContact CD1-CG2 4.24Å; V461-V465 WeakPolarHBondContact O-CG2 3.25Å; V461-V465 PolarHBondContact O-N 3.21Å; N462-V465 PolarHBondContact O-N 3.37Å; V465-R467 VanDerWaalsContact C-N 3.33Å; V465-R467 PolarHBondContact O-N 2.92Å; V465-L468 WeakPolarHBondContact O-CB 3.11Å; V465-L468 PolarHBondContact O-N 2.89Å; V465-C469 PolarHBondContact O-N 3.42Å; V465-C469 PolarHBondContact O-SG 2.59Å; V465-C469 VanDerWaalsContact O-SG 3.35Å
466K87.6Confident83.7Confident74 Ų7464.3 Ų64.332%0.32233%0.332SS..Hα-helixtrans-61.2-42.1173.7-71.1-172-178.5-154.80111.9N462 E463 L468 C469 A470 D480N462-K466 WeakPolarHBondContact O-CG 3.19Å; N462-K466 PolarHBondContact O-N 3.43Å; E463-K466 PolarHBondContact O-N 2.7Å; K466-L468 VanDerWaalsContact C-N 3.33Å; K466-L468 PolarHBondContact O-N 3.31Å; K466-C469 PolarHBondContact O-N 3.27Å; K466-A470 WeakPolarHBondContact O-CB 3.27Å; K466-A470 PolarHBondContact O-N 2.82Å; K466-D480 WeakPolarHBondContact CE-OD1 3.44Å; K466-D480 IonicContact NZ-OD1 2.95Å; K466-D480 PolarHBondContact NZ-OD1 3.12Å; K466-D480 IonicContact NZ-OD2 2.65Å; K466-D480 PolarHBondContact NZ-OD2 3.33Å
467R86.2Confident82.5Confident126 Ų12670.3 Ų70.348%0.47536%0.357SS..Hα-helixtrans-64.1-38.2175.1-163.4-172.5-51.81319.2112E463 E464 V465 A470 T471E463-R467 WeakPolarHBondContact O-CB 3.39Å; E463-R467 PolarHBondContact O-N 3.09Å; E464-R467 WeakPolarHBondContact O-CB 3.34Å; E464-R467 PolarHBondContact O-N 2.74Å; E464-R467 IonicContact OE1-CZ 3.1Å; E464-R467 IonicContact OE1-NH1 2.71Å; E464-R467 PolarHBondContact OE1-NH1 2.81Å; E464-R467 IonicContact OE2-CZ 3.81Å; E464-R467 IonicContact OE2-NH1 3.77Å; E464-R467 PolarHBondContact OE2-NH1 2.64Å; E464-R467 IonicContact OE2-NH2 3.53Å; V465-R467 VanDerWaalsContact C-N 3.33Å; V465-R467 PolarHBondContact O-N 2.92Å; R467-A470 CarbonylContact O-C 3.57Å; R467-A470 PolarHBondContact O-N 2.89Å; R467-T471 WeakPolarHBondContact O-CG2 3.5Å; R467-T471 PolarHBondContact O-N 2.95Å; R467-T471 VanDerWaalsContact O-N 3.15Å; R467-T471 PolarHBondContact O-OG1 2.83Å
468L84.9Confident81.5Confident4 Ų467.4 Ų67.42%0.02134%0.34CS..Hα-helixtrans-60.6-49.7173.5175.368.1000111.1F374 V449 E464 V465 K466 A470 T471 Q472F374-L468 HydrophobicContact CD1-CD1 4.33Å; F374-L468 HydrophobicContact CD2-CD1 3.49Å; F374-L468 VanDerWaalsContact CD2-CD1 3.49Å; F374-L468 HydrophobicContact CD2-CD2 4.24Å; F374-L468 HydrophobicContact CD2-CG 4.49Å; F374-L468 HydrophobicContact CE1-CD1 3.94Å; F374-L468 HydrophobicContact CE2-CD1 3.03Å; F374-L468 HydrophobicContact CE2-CG 4.38Å; F374-L468 HydrophobicContact CG-CD1 4.14Å; F374-L468 HydrophobicContact CZ-CD1 3.28Å; V449-L468 HydrophobicContact CB-CD2 4.39Å; V449-L468 HydrophobicContact CG1-CD2 3.77Å; V449-L468 HydrophobicContact CG2-CD2 3.64Å; E464-L468 PolarHBondContact O-N 3.39Å; V465-L468 WeakPolarHBondContact O-CB 3.11Å; V465-L468 PolarHBondContact O-N 2.89Å; K466-L468 VanDerWaalsContact C-N 3.33Å; K466-L468 PolarHBondContact O-N 3.31Å; L468-A470 VanDerWaalsContact C-N 3.31Å; L468-A470 PolarHBondContact O-N 3.24Å; L468-T471 PolarHBondContact O-N 2.79Å; L468-T471 PolarHBondContact O-OG1 2.84Å; L468-Q472 HydrophobicContact CD1-CB 4.23Å; L468-Q472 HydrophobicContact CD1-CG 3.65Å; L468-Q472 PolarHBondContact O-N 3.07Å
469C84.9Confident80Confident20 Ų2066.4 Ų66.414%0.13534%0.335CS..Hα-helixtrans-57.1-46.3176.7-68.30000111.2V465 K466 T471 F473 N474 F478V465-C469 PolarHBondContact O-N 3.42Å; V465-C469 PolarHBondContact O-SG 2.59Å; V465-C469 VanDerWaalsContact O-SG 3.35Å; K466-C469 PolarHBondContact O-N 3.27Å; C469-T471 PolarHBondContact O-N 3.32Å; C469-T471 VanDerWaalsContact O-N 3.14Å; C469-F473 CarbonylContact O-C 3.56Å; C469-F473 VanDerWaalsContact O-CA 3.23Å; C469-F473 WeakPolarHBondContact O-CA 3.24Å; C469-F473 WeakPolarHBondContact O-CB 3.36Å; C469-F473 PolarHBondContact O-N 3.04Å; C469-N474 PolarHBondContact O-N 3.32Å; C469-F478 HydrophobicContact CB-CD2 4.41Å
470A82.1Confident78.2Confident57 Ų5767.9 Ų67.947%0.47134%0.344SS..Hα-helixtrans-72.83.7177.100000115.2K466 R467 L468 N474K466-A470 WeakPolarHBondContact O-CB 3.27Å; K466-A470 PolarHBondContact O-N 2.82Å; R467-A470 CarbonylContact O-C 3.57Å; R467-A470 PolarHBondContact O-N 2.89Å; L468-A470 VanDerWaalsContact C-N 3.31Å; L468-A470 PolarHBondContact O-N 3.24Å; A470-N474 VanDerWaalsContact CA-OD1 3.31Å; A470-N474 WeakPolarHBondContact CA-OD1 3.34Å; A470-N474 PolarHBondContact O-ND2 3Å; A470-N474 PolarHBondContact O-OD1 3.11Å
471T79.5Confident77.6Confident79 Ų7967 Ų6749%0.48534%0.341SS..Hα-helixtrans-120.5-48.7175.948.30000111.1R467 L468 C469 N474R467-T471 WeakPolarHBondContact O-CG2 3.5Å; R467-T471 PolarHBondContact O-N 2.95Å; R467-T471 VanDerWaalsContact O-N 3.15Å; R467-T471 PolarHBondContact O-OG1 2.83Å; L468-T471 PolarHBondContact O-N 2.79Å; L468-T471 PolarHBondContact O-OG1 2.84Å; C469-T471 PolarHBondContact O-N 3.32Å; C469-T471 VanDerWaalsContact O-N 3.14Å; T471-N474 PolarHBondContact O-ND2 2.97Å
472Q77.1Confident76.9Confident88 Ų8870.5 Ų70.541%0.41136%0.359SS..Hα-helixtrans-91-21.4-175.7-63.6-61.4-25.500113.3L468L468-Q472 HydrophobicContact CD1-CB 4.23Å; L468-Q472 HydrophobicContact CD1-CG 3.65Å; L468-Q472 PolarHBondContact O-N 3.07Å
473F79Confident76.3Confident4 Ų472 Ų722%0.01837%0.366CS..  trans-131.130.2-169.6-59-69.8000112.1F376 Y378 L447 C469 N475 I476 F478F376-F473 HydrophobicContact CD2-CE2 4.34Å; F376-F473 AromaticContact CD2-CZ 3.8Å; F376-F473 HydrophobicContact CD2-CZ 3.8Å; F376-F473 HydrophobicContact CE2-CE1 4.43Å; F376-F473 HydrophobicContact CE2-CE2 4.31Å; F376-F473 AromaticContact CE2-CZ 3.56Å; F376-F473 HydrophobicContact CE2-CZ 3.56Å; F376-F473 HydrophobicContact CZ-CZ 4.14Å; Y378-F473 HydrophobicContact CD1-CE1 4.05Å; Y378-F473 HydrophobicContact CD2-CD1 4.23Å; Y378-F473 AromaticContact CD2-CE1 3.74Å; Y378-F473 HydrophobicContact CD2-CE1 3.74Å; Y378-F473 HydrophobicContact CD2-CZ 4.26Å; Y378-F473 HydrophobicContact CE2-CD1 4.49Å; Y378-F473 HydrophobicContact CE2-CE1 4.39Å; Y378-F473 HydrophobicContact CG-CD1 4.37Å; Y378-F473 AromaticContact CG-CE1 3.52Å; Y378-F473 HydrophobicContact CG-CE1 3.52Å; Y378-F473 HydrophobicContact CG-CZ 4.03Å; L447-F473 HydrophobicContact CD1-CD2 4.5Å; L447-F473 HydrophobicContact CD1-CE2 3.63Å; L447-F473 HydrophobicContact CD1-CZ 3.79Å; L447-F473 HydrophobicContact CD2-CE2 4.37Å; C469-F473 CarbonylContact O-C 3.56Å; C469-F473 VanDerWaalsContact O-CA 3.23Å; C469-F473 WeakPolarHBondContact O-CA 3.24Å; C469-F473 WeakPolarHBondContact O-CB 3.36Å; C469-F473 PolarHBondContact O-N 3.04Å; F473-N475 PolarHBondContact O-N 3.16Å; F473-I476 HydrophobicContact CB-CB 4.11Å; F473-I476 HydrophobicContact CB-CD1 4.5Å; F473-I476 HydrophobicContact CD1-CD1 3.74Å; F473-I476 CarbonylContact O-C 3.47Å; F473-I476 WeakPolarHBondContact O-CA 3.25Å; F473-I476 WeakPolarHBondContact O-CB 3.01Å; F473-I476 PolarHBondContact O-N 3.1Å; F473-F478 HydrophobicContact CB-CE2 3.97Å; F473-F478 HydrophobicContact CD2-CE2 4.44Å; F473-F478 HydrophobicContact CG-CE2 4.12Å
474N67.8Low75.5Confident111 Ų11169.6 Ų69.659%0.59436%0.357SS*.THydrogen-bonded Turntrans-52.2-26.8-175.4-88.9-37.1000116.4C469 A470 T471C469-N474 PolarHBondContact O-N 3.32Å; A470-N474 VanDerWaalsContact CA-OD1 3.31Å; A470-N474 WeakPolarHBondContact CA-OD1 3.34Å; A470-N474 PolarHBondContact O-ND2 3Å; A470-N474 PolarHBondContact O-OD1 3.11Å; T471-N474 PolarHBondContact O-ND2 2.97Å
475N65.4Low74.7Confident169 Ų16971.9 Ų71.990%0.90437%0.37SS*.THydrogen-bonded Turntrans-102.110.7178.3-61.3-30.5000112.7F473F473-N475 PolarHBondContact O-N 3.16Å
476I72.3Confident73.8Confident41 Ų4176.5 Ų76.521%0.2139%0.393CS..SBendtrans-123.9115.2-176.3-54.3-179.4000107.4Y378 F473 F478Y378-I476 HydrophobicContact CE1-CD1 4.05Å; Y378-I476 HydrophobicContact CE2-CD1 4.08Å; Y378-I476 HydrophobicContact CE2-CG2 4.12Å; Y378-I476 WeakPolarHBondContact OH-CD1 3.31Å; F473-I476 HydrophobicContact CB-CB 4.11Å; F473-I476 HydrophobicContact CB-CD1 4.5Å; F473-I476 HydrophobicContact CD1-CD1 3.74Å; F473-I476 CarbonylContact O-C 3.47Å; F473-I476 WeakPolarHBondContact O-CA 3.25Å; F473-I476 WeakPolarHBondContact O-CB 3.01Å; F473-I476 PolarHBondContact O-N 3.1Å; I476-F478 HydrophobicContact CB-CE2 4.41Å; I476-F478 HydrophobicContact CG2-CD2 4.43Å; I476-F478 HydrophobicContact CG2-CE2 3.87Å; I476-F478 HydrophobicContact CG2-CZ 4.06Å
477F61.9Low72.8Confident136 Ų13676.7 Ų76.760%0.59640%0.398SS*.  trans-82.1130.9179-173.4-105000110.1R445 L479R445-F477 PolarHBondContact NH1-O 3.19Å; R445-F477 VanDerWaalsContact NH1-O 3.08Å; F477-L479 HydrophobicContact CD1-CG 4.44Å; F477-L479 HydrophobicContact CE1-CB 4.49Å; F477-L479 HydrophobicContact CE1-CD2 3.52Å; F477-L479 HydrophobicContact CE1-CG 3.67Å; F477-L479 HydrophobicContact CZ-CD2 3.95Å; F477-L479 HydrophobicContact CZ-CG 4.43Å
478F68Low71.8Confident13 Ų1372.9 Ų72.96%0.05739%0.392CS..  trans-119.2128.5165.8-66.4-82.5000106.7Y378 K440 R445 L447 C469 F473 I476Y378-F478 AromaticContact CD2-CZ 3.82Å; Y378-F478 HydrophobicContact CD2-CZ 3.82Å; Y378-F478 HydrophobicContact CE2-CE1 4.35Å; Y378-F478 AromaticContact CE2-CZ 3.67Å; Y378-F478 HydrophobicContact CE2-CZ 3.67Å; K440-F478 HydrophobicContact CD-CB 4.1Å; K440-F478 HydrophobicContact CD-CD1 4.49Å; K440-F478 HydrophobicContact CG-CD1 4.43Å; R445-F478 HydrophobicContact CB-CE1 3.98Å; L447-F478 HydrophobicContact CB-CE1 3.77Å; L447-F478 HydrophobicContact CB-CZ 3.84Å; L447-F478 HydrophobicContact CD2-CE2 4.23Å; L447-F478 HydrophobicContact CD2-CZ 4.11Å; L447-F478 HydrophobicContact CG-CZ 4.47Å; C469-F478 HydrophobicContact CB-CD2 4.41Å; F473-F478 HydrophobicContact CB-CE2 3.97Å; F473-F478 HydrophobicContact CD2-CE2 4.44Å; F473-F478 HydrophobicContact CG-CE2 4.12Å; I476-F478 HydrophobicContact CB-CE2 4.41Å; I476-F478 HydrophobicContact CG2-CD2 4.43Å; I476-F478 HydrophobicContact CG2-CE2 3.87Å; I476-F478 HydrophobicContact CG2-CZ 4.06Å
479L59.4Low70.7Confident77 Ų7778.7 Ų78.740%0.40342%0.423SS..  trans-60.6140.8176.7-79.5160.2000110.7D424 K440 S442 F477D424-L479 HydrophobicContact CB-CD1 4.45Å; D424-L479 WeakPolarHBondContact OD2-CD1 3.5Å; K440-L479 WeakPolarHBondContact CE-O 3.28Å; K440-L479 PolarHBondContact NZ-O 3.49Å; S442-L479 PolarHBondContact OG-N 3.24Å; S442-L479 VanDerWaalsContact OG-N 3.1Å; F477-L479 HydrophobicContact CD1-CG 4.44Å; F477-L479 HydrophobicContact CE1-CB 4.49Å; F477-L479 HydrophobicContact CE1-CD2 3.52Å; F477-L479 HydrophobicContact CE1-CG 3.67Å; F477-L479 HydrophobicContact CZ-CD2 3.95Å; F477-L479 HydrophobicContact CZ-CG 4.43Å
480D51Low69.4Low149 Ų14984 Ų8480%0.79745%0.45SS*.  trans-90.30-166.4-133.425.8000114K466K466-D480 WeakPolarHBondContact CE-OD1 3.44Å; K466-D480 IonicContact NZ-OD1 2.95Å; K466-D480 PolarHBondContact NZ-OD1 3.12Å; K466-D480 IonicContact NZ-OD2 2.65Å; K466-D480 PolarHBondContact NZ-OD2 3.33Å

Retrieved 480 of 480 residues in 103.4 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).