A0AA82N7R3_SCHMA Loading...

AA_TRNA_LIGASE_II domain-containing protein

AlphaFold DB (A0A5K4F9W2), UniProt , Accession A0AA82N7R3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 362 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
1M93.3Very high96.2Very high34 Ų3492.9 Ų92.917%0.16751%0.507CS..  0-56.80-58.6-55.5105.900111.4S3 G4 F5 Y8 E34 M35 A36 H301M1-S3 PolarHBondContact O-N 3.15Å; M1-S3 VanDerWaalsContact O-N 3.12Å; M1-G4 PolarHBondContact O-N 2.66Å; M1-F5 HydrophobicContact CE-CB 4.47Å; M1-F5 VanDerWaalsContact CE-O 3.3Å; M1-F5 WeakPolarHBondContact CE-O 3.4Å; M1-F5 VanDerWaalsContact SD-O 3.34Å; M1-Y8 VanDerWaalsContact CE-CB 3.47Å; M1-E34 HydrophobicContact CE-CB 4.02Å; M1-E34 HydrophobicContact CE-CG 4.16Å; M1-E34 WeakPolarHBondContact CE-O 3.24Å; M1-E34 HydrophobicContact CG-CB 4.43Å; M1-E34 HydrophobicContact CG-CG 3.53Å; M1-E34 HydrophobicContact SD-CB 4.37Å; M1-E34 HydrophobicContact SD-CG 3.98Å; M1-M35 VanDerWaalsContact SD-C 3.57Å; M1-A36 HydrophobicContact SD-CB 4.16Å; M1-H301 HydrophobicContact CB-CB 4Å; M1-H301 HydrophobicContact CG-CB 3.81Å
2I94Very high96.3Very high62 Ų6286.5 Ų86.532%0.31848%0.475SS..THydrogen-bonded Turntrans-50.9-36.7177.9-48.5-175.6000113.2G4 A293 T298I2-G4 PolarHBondContact O-N 2.92Å; I2-G4 VanDerWaalsContact O-N 3.16Å; I2-A293 HydrophobicContact CD1-CB 3.48Å; I2-A293 VanDerWaalsContact CD1-CB 3.48Å; I2-A293 HydrophobicContact CG2-CB 4.49Å; I2-T298 HydrophobicContact CD1-CG2 4.32Å; I2-T298 WeakPolarHBondContact CD1-OG1 3.45Å; I2-T298 HydrophobicContact CG1-CG2 3.87Å; I2-T298 VanDerWaalsContact CG1-OG1 3.28Å; I2-T298 WeakPolarHBondContact CG1-OG1 3.48Å
3S94.7Very high96.4Very high91 Ų9189.5 Ų89.564%0.63648%0.475SS*.THydrogen-bonded Turntrans-733.1178.862.50000115.5M1 F5M1-S3 PolarHBondContact O-N 3.15Å; M1-S3 VanDerWaalsContact O-N 3.12Å; S3-F5 WeakPolarHBondContact OG-CD2 3.47Å
4G94.2Very high96.3Very high66 Ų6684.9 Ų84.968%0.6845%0.453SS*.SBendtrans89.9-1.3179.300000115.6M1 I2 S6M1-G4 PolarHBondContact O-N 2.66Å; I2-G4 PolarHBondContact O-N 2.92Å; I2-G4 VanDerWaalsContact O-N 3.16Å; G4-S6 PolarHBondContact O-N 3.03Å
5F96.3Very high96.2Very high144 Ų14489 Ų8963%0.63247%0.466SS*.  trans-68.6117.3167.4-62.5-63.1000109.6M1 S3M1-F5 HydrophobicContact CE-CB 4.47Å; M1-F5 VanDerWaalsContact CE-O 3.3Å; M1-F5 WeakPolarHBondContact CE-O 3.4Å; M1-F5 VanDerWaalsContact SD-O 3.34Å; S3-F5 WeakPolarHBondContact OG-CD2 3.47Å
6S96.5Very high95.9Very high73 Ų7391.5 Ų91.551%0.5147%0.467SS..SBendtrans-81.7-32.2-175.759.30000113.9G4 M35 A36G4-S6 PolarHBondContact O-N 3.03Å; S6-M35 CarbonylContact O-C 3.22Å; S6-M35 WeakPolarHBondContact O-CA 3.49Å; S6-A36 PolarHBondContact O-N 3.14Å
7K97.6Very high95.4Very high151 Ų15196.2 Ų96.266%0.65749%0.494SS*.EExtended strand (participates in β ladder)trans-137.4128.8176.6-57.2-175-175.5-172.20108.3M35K7-M35 HydrophobicContact CB-CG 4.38Å; K7-M35 HydrophobicContact CD-CE 3.99Å; K7-M35 HydrophobicContact CG-CE 4.12Å; K7-M35 HydrophobicContact CG-CG 4.18Å
8Y98.1Very high94.7Very high85 Ų8596 Ų9633%0.33349%0.49SS..EExtended strand (participates in β ladder)trans-128.9141.4-179.9167.4-99.6000108.9M1 Q10 D32 I33 E34M1-Y8 VanDerWaalsContact CE-CB 3.47Å; Y8-Q10 HydrophobicContact CE1-CB 4.11Å; Y8-Q10 HydrophobicContact CE2-CB 4.2Å; Y8-Q10 WeakPolarHBondContact OH-CB 3.37Å; Y8-Q10 PolarHBondContact OH-NE2 3.41Å; Y8-D32 WeakPolarHBondContact CE1-OD2 3.23Å; Y8-I33 WeakPolarHBondContact O-CA 3.34Å; Y8-E34 HydrophobicContact CD1-CB 4.13Å; Y8-E34 PolarHBondContact N-O 3.19Å; Y8-E34 PolarHBondContact O-N 2.65Å
9M97.5Very high93.7Very high128 Ų12897.4 Ų97.463%0.63150%0.504SS*.EExtended strand (participates in β ladder)trans-142.8149.2165.565172.7-67.800110L31 D32 I33M9-L31 HydrophobicContact CB-CD1 4.46Å; M9-L31 HydrophobicContact CE-CD1 3.73Å; M9-D32 CarbonylContact C-O 3.59Å; M9-D32 WeakPolarHBondContact CA-O 3.42Å; M9-I33 HydrophobicContact CB-CG1 4.13Å
10Q98.2Very high92.4Very high94 Ų9493.8 Ų93.844%0.43949%0.488SS..EExtended strand (participates in β ladder)trans-150.3135.3171.8-177174.6-117.400110.6Y8 A12 D32Y8-Q10 HydrophobicContact CE1-CB 4.11Å; Y8-Q10 HydrophobicContact CE2-CB 4.2Å; Y8-Q10 WeakPolarHBondContact OH-CB 3.37Å; Y8-Q10 PolarHBondContact OH-NE2 3.41Å; Q10-A12 HydrophobicContact CG-CB 3.98Å; Q10-A12 PolarHBondContact O-N 2.97Å; Q10-D32 PolarHBondContact N-O 2.89Å; Q10-D32 PolarHBondContact O-N 3.32Å
11V98Very high91.4Very high94 Ų9496.3 Ų96.357%0.5749%0.491SS*.EExtended strand (participates in β ladder)trans-82.893.8161.7179.60000106.7T29 Q30 L31 L308V11-T29 HydrophobicContact CG1-CG2 3.53Å; V11-Q30 CarbonylContact C-O 3.52Å; V11-Q30 WeakPolarHBondContact CA-O 3.4Å; V11-L31 HydrophobicContact CG2-CD1 4.29Å; V11-L308 HydrophobicContact CG1-CD1 3.77Å; V11-L308 HydrophobicContact CG2-CD1 4.29Å
12A97.4Very high90.4Very high16 Ų1698.8 Ų98.813%0.13251%0.512CS..EExtended strand (participates in β ladder)trans-101.9148.7-170.200000111.2Q10 T29 Q30Q10-A12 HydrophobicContact CG-CB 3.98Å; Q10-A12 PolarHBondContact O-N 2.97Å; A12-T29 WeakPolarHBondContact O-CA 3.47Å; A12-Q30 PolarHBondContact N-O 3Å; A12-Q30 PolarHBondContact O-N 3.28Å
13R97.1Very high89.4Confident125 Ų12598.1 Ų98.147%0.47251%0.509SS..EExtended strand (participates in β ladder)trans-91.5128.3167.7-161.264.670119.2-1.6110.4F15 E27 F28R13-F15 HydrophobicContact CB-CE2 4.35Å; R13-F15 HydrophobicContact CB-CZ 4.26Å; R13-F15 HydrophobicContact CG-CE1 4.25Å; R13-F15 HydrophobicContact CG-CE2 4.25Å; R13-F15 HydrophobicContact CG-CZ 3.8Å; R13-E27 VanDerWaalsContact CD-OE1 3.24Å; R13-E27 WeakPolarHBondContact CD-OE1 3.44Å; R13-E27 HydrophobicContact CG-CG 3.46Å; R13-E27 VanDerWaalsContact CG-CG 3.46Å; R13-E27 VanDerWaalsContact CG-OE1 3.24Å; R13-E27 WeakPolarHBondContact CG-OE1 3.42Å; R13-E27 IonicContact CZ-OE1 2.92Å; R13-E27 IonicContact NE-OE1 3.43Å; R13-E27 PolarHBondContact NE-OE1 2.89Å; R13-E27 IonicContact NH1-OE1 3.73Å; R13-E27 PolarHBondContact NH1-OE1 3.35Å; R13-F28 VanDerWaalsContact CD-O 3.24Å; R13-F28 WeakPolarHBondContact CD-O 3.31Å
14C95.9Very high88.8Confident25 Ų2598 Ų9817%0.16949%0.494CS..EExtended strand (participates in β ladder)trans-115.9140.8-175.8-60.30000109.7E27 F28 Q30C14-E27 WeakPolarHBondContact O-CA 3.41Å; C14-F28 HydrophobicContact CB-CD1 4.4Å; C14-F28 HydrophobicContact CB-CD2 4.04Å; C14-F28 HydrophobicContact CB-CE1 3.95Å; C14-F28 HydrophobicContact CB-CE2 3.57Å; C14-F28 HydrophobicContact CB-CG 4.42Å; C14-F28 HydrophobicContact CB-CZ 3.5Å; C14-F28 VanDerWaalsContact CB-CZ 3.5Å; C14-F28 PolarHBondContact N-O 3.01Å; C14-F28 PolarHBondContact O-N 2.93Å; C14-Q30 HydrophobicContact CB-CG 4.43Å; C14-Q30 PolarHBondContact SG-OE1 3.13Å
15F94.4Very high88.5Confident147 Ų14795.3 Ų95.365%0.64546%0.464SS*.EExtended strand (participates in β ladder)trans-121.7127.4-176.6-54.5-87.1000109.5R13 P26 E27R13-F15 HydrophobicContact CB-CE2 4.35Å; R13-F15 HydrophobicContact CB-CZ 4.26Å; R13-F15 HydrophobicContact CG-CE1 4.25Å; R13-F15 HydrophobicContact CG-CE2 4.25Å; R13-F15 HydrophobicContact CG-CZ 3.8Å; F15-P26 CarbonylContact C-O 3.52Å; F15-P26 VanDerWaalsContact CA-O 3.27Å; F15-P26 WeakPolarHBondContact CA-O 3.42Å; F15-E27 HydrophobicContact CD1-CB 4Å; F15-E27 HydrophobicContact CD1-CG 4.13Å; F15-E27 HydrophobicContact CE1-CB 4.04Å; F15-E27 HydrophobicContact CE1-CG 3.73Å; F15-E27 HydrophobicContact CZ-CG 4.47Å
16R90.7Very high88.2Confident129 Ų12990.5 Ų90.549%0.48745%0.447SS..  trans-138.5118.5175.3-68.6-176.2-171.7172.17109.6E18 P26 F28R16-E18 VanDerWaalsContact C-N 3.26Å; R16-E18 HydrophobicContact CB-CG 4.24Å; R16-E18 PolarHBondContact O-N 2.72Å; R16-P26 PolarHBondContact N-O 2.74Å; R16-P26 WeakPolarHBondContact O-CA 3.48Å; R16-F28 HydrophobicContact CB-CE1 4.12Å; R16-F28 HydrophobicContact CG-CE1 3.76Å; R16-F28 HydrophobicContact CG-CZ 4.06Å
17D88.6Confident88.1Confident172 Ų17290.5 Ų90.592%0.9244%0.439SS*.  trans-82.276.9173.2-170.415.5000109.7
18E82.8Confident87.9Confident92 Ų9284.7 Ų84.743%0.4341%0.414SS..  trans-122.1156.9178.4-68.6179.3-161.700110.3R16 S20 R24R16-E18 VanDerWaalsContact C-N 3.26Å; R16-E18 HydrophobicContact CB-CG 4.24Å; R16-E18 PolarHBondContact O-N 2.72Å; E18-S20 PolarHBondContact O-N 3.14Å; E18-S20 VanDerWaalsContact O-N 3.1Å; E18-R24 IonicContact OE2-CZ 3.31Å; E18-R24 IonicContact OE2-NH1 2.85Å; E18-R24 PolarHBondContact OE2-NH1 3.4Å
19T75.9Confident87.8Confident123 Ų12381.6 Ų81.676%0.75540%0.404SS*.  trans-55.7121.8171.8-47.20000109.8
20S67.3Low87.8Confident25 Ų2577 Ų7718%0.17538%0.381CS..  trans-66.3150.1-178.793.90000111E18 A331E18-S20 PolarHBondContact O-N 3.14Å; E18-S20 VanDerWaalsContact O-N 3.1Å; S20-A331 WeakPolarHBondContact CB-O 3.28Å; S20-A331 WeakPolarHBondContact OG-CA 3.46Å; S20-A331 PolarHBondContact OG-O 3.02Å
21R72Confident87.8Confident146 Ų14673.2 Ų73.255%0.55136%0.364SS*.  trans-135.4171.6174.9-64.4-175.5-176.7-173-0.4107.6D23 R24R21-D23 WeakPolarHBondContact CB-OD1 3.23Å; R21-D23 PolarHBondContact O-N 3.16Å; R21-D23 VanDerWaalsContact O-N 3.1Å; R21-R24 HydrophobicContact CB-CB 4.24Å; R21-R24 HydrophobicContact CB-CG 4.18Å; R21-R24 PolarHBondContact O-N 3.25Å
22S70.6Confident87.8Confident87 Ų8770.9 Ų70.961%0.60835%0.348SS*.THydrogen-bonded Turntrans-57.2-25.3177.250.20000113.2S320S22-S320 PolarHBondContact O-OG 3.26Å
23D73.4Confident87.9Confident47 Ų4770.8 Ų70.825%0.25135%0.345SS..THydrogen-bonded Turntrans-108.214.3179.970.9-38.6000113.5R21 R310 I321R21-D23 WeakPolarHBondContact CB-OD1 3.23Å; R21-D23 PolarHBondContact O-N 3.16Å; R21-D23 VanDerWaalsContact O-N 3.1Å; D23-R310 PolarHBondContact O-NH2 3.41Å; D23-R310 IonicContact OD2-NH2 2.69Å; D23-R310 PolarHBondContact OD2-NH2 3.49Å; D23-I321 WeakPolarHBondContact O-CD1 3.18Å
24R82.8Confident87.9Confident88 Ų8865.9 Ų65.933%0.33233%0.328SS..  trans-133.7139.8-179.8-62-175.6-175.3-164.3-1.5112.9E18 R21E18-R24 IonicContact OE2-CZ 3.31Å; E18-R24 IonicContact OE2-NH1 2.85Å; E18-R24 PolarHBondContact OE2-NH1 3.4Å; R21-R24 HydrophobicContact CB-CB 4.24Å; R21-R24 HydrophobicContact CB-CG 4.18Å; R21-R24 PolarHBondContact O-N 3.25Å
25Q88.2Confident88Confident11 Ų1165.4 Ų65.45%0.05132%0.323CS..  trans-129.2148.9172.3-70.6-68.9-72.200108.5E27 I321 I325 K329Q25-E27 WeakPolarHBondContact CB-O 3.29Å; Q25-E27 PolarHBondContact O-N 3.33Å; Q25-I321 HydrophobicContact CB-CD1 4.4Å; Q25-I321 HydrophobicContact CG-CD1 3.72Å; Q25-I321 HydrophobicContact CG-CG1 4.25Å; Q25-I325 HydrophobicContact CG-CD1 3.8Å; Q25-K329 PolarHBondContact NE2-O 3.41Å; Q25-K329 PolarHBondContact OE1-O 3.28Å
26P90.1Very high88.2Confident42 Ų4259 Ų5927%0.27330%0.297SS..SBendtrans-62.5-2917725.9-34.3000111.7F15 R16 K329F15-P26 CarbonylContact C-O 3.52Å; F15-P26 VanDerWaalsContact CA-O 3.27Å; F15-P26 WeakPolarHBondContact CA-O 3.42Å; R16-P26 PolarHBondContact N-O 2.74Å; R16-P26 WeakPolarHBondContact O-CA 3.48Å; P26-K329 HydrophobicContact CG-CB 4.23Å; P26-K329 HydrophobicContact CG-CG 4.04Å
27E92.8Very high88.5Confident73 Ų7360.4 Ų60.434%0.34131%0.307SS..EExtended strand (participates in β ladder)trans-123.4127.1175171.6-177.7164.900108.5R13 C14 F15 Q25R13-E27 VanDerWaalsContact CD-OE1 3.24Å; R13-E27 WeakPolarHBondContact CD-OE1 3.44Å; R13-E27 HydrophobicContact CG-CG 3.46Å; R13-E27 VanDerWaalsContact CG-CG 3.46Å; R13-E27 VanDerWaalsContact CG-OE1 3.24Å; R13-E27 WeakPolarHBondContact CG-OE1 3.42Å; R13-E27 IonicContact CZ-OE1 2.92Å; R13-E27 IonicContact NE-OE1 3.43Å; R13-E27 PolarHBondContact NE-OE1 2.89Å; R13-E27 IonicContact NH1-OE1 3.73Å; R13-E27 PolarHBondContact NH1-OE1 3.35Å; C14-E27 WeakPolarHBondContact O-CA 3.41Å; F15-E27 HydrophobicContact CD1-CB 4Å; F15-E27 HydrophobicContact CD1-CG 4.13Å; F15-E27 HydrophobicContact CE1-CB 4.04Å; F15-E27 HydrophobicContact CE1-CG 3.73Å; F15-E27 HydrophobicContact CZ-CG 4.47Å; Q25-E27 WeakPolarHBondContact CB-O 3.29Å; Q25-E27 PolarHBondContact O-N 3.33Å
28F93.8Very high88.9Confident30 Ų3053 Ų5313%0.13227%0.267CS..EExtended strand (participates in β ladder)trans-147.3162.2-178.861-83.7000111.2R13 C14 R16 Q30 D309R13-F28 VanDerWaalsContact CD-O 3.24Å; R13-F28 WeakPolarHBondContact CD-O 3.31Å; C14-F28 HydrophobicContact CB-CD1 4.4Å; C14-F28 HydrophobicContact CB-CD2 4.04Å; C14-F28 HydrophobicContact CB-CE1 3.95Å; C14-F28 HydrophobicContact CB-CE2 3.57Å; C14-F28 HydrophobicContact CB-CG 4.42Å; C14-F28 HydrophobicContact CB-CZ 3.5Å; C14-F28 VanDerWaalsContact CB-CZ 3.5Å; C14-F28 PolarHBondContact N-O 3.01Å; C14-F28 PolarHBondContact O-N 2.93Å; R16-F28 HydrophobicContact CB-CE1 4.12Å; R16-F28 HydrophobicContact CG-CE1 3.76Å; R16-F28 HydrophobicContact CG-CZ 4.06Å; F28-Q30 HydrophobicContact CD2-CG 3.88Å; F28-Q30 HydrophobicContact CE2-CG 3.62Å; F28-D309 WeakPolarHBondContact CA-OD2 3.42Å; F28-D309 WeakPolarHBondContact CB-OD2 3.32Å
29T97.5Very high89.6Confident19 Ų1952 Ų5212%0.11727%0.267CS..EExtended strand (participates in β ladder)trans-104.6128.3-172.7-430000110.7V11 A12 L308 D309V11-T29 HydrophobicContact CG1-CG2 3.53Å; A12-T29 WeakPolarHBondContact O-CA 3.47Å; T29-L308 HydrophobicContact CG2-CD1 3.99Å; T29-L308 PolarHBondContact O-N 3.12Å; T29-D309 PolarHBondContact N-OD2 2.84Å; T29-D309 PolarHBondContact OG1-OD1 3.09Å
30Q97.4Very high90.6Very high33 Ų3347.4 Ų47.415%0.15424%0.24CC..EExtended strand (participates in β ladder)trans-116.7144.5172.9-62-166.6-66.600111.3V11 A12 C14 F28 L306V11-Q30 CarbonylContact C-O 3.52Å; V11-Q30 WeakPolarHBondContact CA-O 3.4Å; A12-Q30 PolarHBondContact N-O 3Å; A12-Q30 PolarHBondContact O-N 3.28Å; C14-Q30 HydrophobicContact CB-CG 4.43Å; C14-Q30 PolarHBondContact SG-OE1 3.13Å; F28-Q30 HydrophobicContact CD2-CG 3.88Å; F28-Q30 HydrophobicContact CE2-CG 3.62Å; Q30-L306 CarbonylContact C-O 3.43Å; Q30-L306 WeakPolarHBondContact CA-O 3.2Å
31L97.9Very high92Very high14 Ų1450.2 Ų50.27%0.07325%0.253CS..EExtended strand (participates in β ladder)trans-90.8101.7158.3170.358.4000107M9 V11 I33 M50 A305 L306 L308M9-L31 HydrophobicContact CB-CD1 4.46Å; M9-L31 HydrophobicContact CE-CD1 3.73Å; V11-L31 HydrophobicContact CG2-CD1 4.29Å; L31-I33 HydrophobicContact CD1-CD1 4.41Å; L31-I33 HydrophobicContact CD1-CG1 4.14Å; L31-I33 HydrophobicContact CD2-CD1 4.09Å; L31-I33 HydrophobicContact CG-CD1 4.01Å; L31-I33 HydrophobicContact CG-CG1 4.09Å; L31-M50 HydrophobicContact CD2-CE 4.31Å; L31-M50 HydrophobicContact CD2-SD 3.52Å; L31-M50 VanDerWaalsContact CD2-SD 3.52Å; L31-A305 WeakPolarHBondContact O-CA 3.33Å; L31-L306 HydrophobicContact CB-CB 4.32Å; L31-L306 HydrophobicContact CD2-CD1 4.34Å; L31-L306 PolarHBondContact N-O 3.21Å; L31-L306 PolarHBondContact O-N 3.39Å; L31-L308 HydrophobicContact CB-CD1 4.08Å; L31-L308 HydrophobicContact CB-CD2 3.81Å; L31-L308 HydrophobicContact CB-CG 3.94Å
32D97.9Very high93.2Very high45 Ų4546.3 Ų46.324%0.24124%0.243CC..EExtended strand (participates in β ladder)trans-90.7127.6178.6-170.342000109.2Y8 M9 Q10Y8-D32 WeakPolarHBondContact CE1-OD2 3.23Å; M9-D32 CarbonylContact C-O 3.59Å; M9-D32 WeakPolarHBondContact CA-O 3.42Å; Q10-D32 PolarHBondContact N-O 2.89Å; Q10-D32 PolarHBondContact O-N 3.32Å
33I98.1Very high94.5Very high14 Ų1442.1 Ų42.17%0.07221%0.214CC..EExtended strand (participates in β ladder)trans-131.6129.6-178.9-63.6167.9000108.1Y8 M9 L31 M35 I47 G303 I304Y8-I33 WeakPolarHBondContact O-CA 3.34Å; M9-I33 HydrophobicContact CB-CG1 4.13Å; L31-I33 HydrophobicContact CD1-CD1 4.41Å; L31-I33 HydrophobicContact CD1-CG1 4.14Å; L31-I33 HydrophobicContact CD2-CD1 4.09Å; L31-I33 HydrophobicContact CG-CD1 4.01Å; L31-I33 HydrophobicContact CG-CG1 4.09Å; I33-M35 HydrophobicContact CG2-CG 4.39Å; I33-I47 HydrophobicContact CD1-CD1 3.73Å; I33-G303 CarbonylContact O-C 3.59Å; I33-G303 WeakPolarHBondContact O-CA 3.4Å; I33-I304 HydrophobicContact CB-CG2 4.21Å; I33-I304 PolarHBondContact N-O 3.46Å; I33-I304 PolarHBondContact O-N 3.27Å
34E98.3Very high95.7Very high22 Ų2240.3 Ų40.310%0.10320%0.203CC..EExtended strand (participates in β ladder)trans-137.9137.1176.4-162.480.5-163.500109.7M1 Y8 R265 H301 G302 G303M1-E34 HydrophobicContact CE-CB 4.02Å; M1-E34 HydrophobicContact CE-CG 4.16Å; M1-E34 WeakPolarHBondContact CE-O 3.24Å; M1-E34 HydrophobicContact CG-CB 4.43Å; M1-E34 HydrophobicContact CG-CG 3.53Å; M1-E34 HydrophobicContact SD-CB 4.37Å; M1-E34 HydrophobicContact SD-CG 3.98Å; Y8-E34 HydrophobicContact CD1-CB 4.13Å; Y8-E34 PolarHBondContact N-O 3.19Å; Y8-E34 PolarHBondContact O-N 2.65Å; E34-R265 VanDerWaalsContact OE1-CG 3.24Å; E34-R265 WeakPolarHBondContact OE1-CG 3.42Å; E34-R265 IonicContact OE1-NE 3.13Å; E34-R265 PolarHBondContact OE1-NE 2.92Å; E34-R265 VanDerWaalsContact OE1-NE 3.13Å; E34-R265 IonicContact OE2-CZ 2.92Å; E34-R265 IonicContact OE2-NE 3.61Å; E34-R265 PolarHBondContact OE2-NE 3.45Å; E34-R265 IonicContact OE2-NH2 3.37Å; E34-R265 PolarHBondContact OE2-NH2 3.44Å; E34-H301 IonicContact OE1-CD2 2.61Å; E34-H301 PolarHBondContact OE1-CD2 2.91Å; E34-G302 CarbonylContact C-O 3.55Å; E34-G302 WeakPolarHBondContact CA-O 3.37Å; E34-G302 VanDerWaalsContact CD-C 3.48Å; E34-G302 VanDerWaalsContact OE1-C 3.23Å; E34-G303 WeakPolarHBondContact OE2-CA 3.16Å
35M98.3Very high96.4Very high15 Ų1541.9 Ų41.97%0.07421%0.214CC..EExtended strand (participates in β ladder)trans-136.6148.5-176.3-62.617362.900111M1 S6 K7 I33 I38 I43 I46 H301 G302M1-M35 VanDerWaalsContact SD-C 3.57Å; S6-M35 CarbonylContact O-C 3.22Å; S6-M35 WeakPolarHBondContact O-CA 3.49Å; K7-M35 HydrophobicContact CB-CG 4.38Å; K7-M35 HydrophobicContact CD-CE 3.99Å; K7-M35 HydrophobicContact CG-CE 4.12Å; K7-M35 HydrophobicContact CG-CG 4.18Å; I33-M35 HydrophobicContact CG2-CG 4.39Å; M35-I38 HydrophobicContact CB-CD1 3.92Å; M35-I38 HydrophobicContact CB-CG1 4.12Å; M35-I38 HydrophobicContact CB-CG2 3.73Å; M35-I38 HydrophobicContact CE-CG2 3.85Å; M35-I43 HydrophobicContact SD-CD1 4.23Å; M35-I46 HydrophobicContact CE-CD1 4.34Å; M35-I46 HydrophobicContact SD-CD1 3.73Å; M35-I46 HydrophobicContact SD-CG2 4.46Å; M35-H301 WeakPolarHBondContact O-CA 3.4Å; M35-H301 VanDerWaalsContact O-CB 3.3Å; M35-H301 WeakPolarHBondContact O-CB 3.08Å; M35-G302 PolarHBondContact N-O 3.24Å; M35-G302 PolarHBondContact O-N 3Å
36A97.9Very high96.8Very high12 Ų1244.2 Ų44.210%0.09923%0.227CC..EExtended strand (participates in β ladder)trans-99.6152.217400000111.3M1 S6 P299 P300M1-A36 HydrophobicContact SD-CB 4.16Å; S6-A36 PolarHBondContact O-N 3.14Å; A36-P299 HydrophobicContact CB-CB 4.29Å; A36-P299 HydrophobicContact CB-CG 3.99Å; A36-P300 CarbonylContact C-O 3.59Å; A36-P300 WeakPolarHBondContact CA-O 3.43Å
37F97.4Very high97.2Very high158 Ų15842.2 Ų42.269%0.69321%0.214SC*.SBendtrans58.242.6179.7-50.4-76.6000113.9P299 P300F37-P299 HydrophobicContact CD1-CB 4.39Å; F37-P299 HydrophobicContact CE1-CB 3.74Å; F37-P299 HydrophobicContact CE2-CB 3.93Å; F37-P299 HydrophobicContact CZ-CB 3.48Å; F37-P299 VanDerWaalsContact CZ-CB 3.48Å; F37-P300 PolarHBondContact N-O 2.85Å
38I97.2Very high97.4Very high18 Ų1839.3 Ų39.39%0.09220%0.2CC..  trans-118.7161.8-178.757149.6000112.7M35 D42 I43 I264M35-I38 HydrophobicContact CB-CD1 3.92Å; M35-I38 HydrophobicContact CB-CG1 4.12Å; M35-I38 HydrophobicContact CB-CG2 3.73Å; M35-I38 HydrophobicContact CE-CG2 3.85Å; I38-D42 HydrophobicContact CB-CB 3.99Å; I38-D42 HydrophobicContact CG2-CB 3.98Å; I38-I43 HydrophobicContact CD1-CD1 3.56Å; I38-I43 HydrophobicContact CD1-CG1 3.44Å; I38-I43 VanDerWaalsContact CD1-CG1 3.44Å; I38-I264 HydrophobicContact CD1-CD1 4.22Å; I38-I264 HydrophobicContact CG1-CD1 4.49Å
39T96.3Very high97.6Very high69 Ų6941.8 Ų41.842%0.42322%0.215SC..  trans-109.6170.6167.568.70000109.8D41 D42T39-D41 PolarHBondContact O-N 3.06Å; T39-D41 PolarHBondContact OG1-N 2.88Å; T39-D42 WeakPolarHBondContact CA-OD2 3.47Å; T39-D42 WeakPolarHBondContact CB-OD2 3.21Å; T39-D42 PolarHBondContact N-OD2 3.19Å; T39-D42 PolarHBondContact O-N 2.76Å; T39-D42 PolarHBondContact OG1-OD2 3.29Å
40P96.5Very high97.5Very high28 Ų2843.2 Ų43.218%0.18222%0.221CC..Hα-helixtrans-55.9-33.1171.5-26.435.4000113.6D42 I43 Y44 L248 Y250 I264P40-D42 VanDerWaalsContact C-N 3.34Å; P40-D42 PolarHBondContact O-N 2.88Å; P40-I43 WeakPolarHBondContact O-CB 3.17Å; P40-I43 PolarHBondContact O-N 3.16Å; P40-I43 VanDerWaalsContact O-N 3.12Å; P40-Y44 HydrophobicContact CB-CE2 3.99Å; P40-Y44 WeakPolarHBondContact O-CD2 3.21Å; P40-Y44 PolarHBondContact O-N 2.93Å; P40-L248 HydrophobicContact CG-CD2 4.39Å; P40-Y250 HydrophobicContact CB-CD1 3.97Å; P40-Y250 HydrophobicContact CB-CE1 3.89Å; P40-Y250 HydrophobicContact CG-CE1 4.29Å; P40-I264 HydrophobicContact CG-CD1 4.27Å; P40-I264 HydrophobicContact CG-CG1 3.79Å
41D97.1Very high97.5Very high83 Ų8341.6 Ų41.644%0.44421%0.213SC..Hα-helixtrans-64.2-37.4-178.6-76.2-39.3000113T39 I43 Y44 E45 R73T39-D41 PolarHBondContact O-N 3.06Å; T39-D41 PolarHBondContact OG1-N 2.88Å; D41-I43 PolarHBondContact O-N 2.84Å; D41-Y44 PolarHBondContact O-N 3.45Å; D41-Y44 WeakPolarHBondContact OD1-CD2 3.46Å; D41-E45 PolarHBondContact O-N 3.02Å; D41-R73 IonicContact OD1-CZ 3.35Å; D41-R73 IonicContact OD1-NH1 2.65Å; D41-R73 PolarHBondContact OD1-NH1 3.39Å; D41-R73 IonicContact OD1-NH2 3.29Å; D41-R73 PolarHBondContact OD1-NH2 3.4Å
42D97.7Very high97.4Very high64 Ų6443.7 Ų43.734%0.34222%0.224SC..Hα-helixtrans-62.6-33.5175.4-57.5-75.9000111.6I38 T39 P40 I46I38-D42 HydrophobicContact CB-CB 3.99Å; I38-D42 HydrophobicContact CG2-CB 3.98Å; T39-D42 WeakPolarHBondContact CA-OD2 3.47Å; T39-D42 WeakPolarHBondContact CB-OD2 3.21Å; T39-D42 PolarHBondContact N-OD2 3.19Å; T39-D42 PolarHBondContact O-N 2.76Å; T39-D42 PolarHBondContact OG1-OD2 3.29Å; P40-D42 VanDerWaalsContact C-N 3.34Å; P40-D42 PolarHBondContact O-N 2.88Å; D42-I46 WeakPolarHBondContact O-CG2 3.29Å; D42-I46 PolarHBondContact O-N 3.31Å; D42-I46 VanDerWaalsContact O-N 3.08Å
43I97.7Very high97.2Very high0 Ų050.9 Ų50.90%025%0.249CC..Hα-helixtrans-75-40.2177.1-66-72.5000111.2M35 I38 P40 D41 E45 I46 I47 Y250 I304M35-I43 HydrophobicContact SD-CD1 4.23Å; I38-I43 HydrophobicContact CD1-CD1 3.56Å; I38-I43 HydrophobicContact CD1-CG1 3.44Å; I38-I43 VanDerWaalsContact CD1-CG1 3.44Å; P40-I43 WeakPolarHBondContact O-CB 3.17Å; P40-I43 PolarHBondContact O-N 3.16Å; P40-I43 VanDerWaalsContact O-N 3.12Å; D41-I43 PolarHBondContact O-N 2.84Å; I43-E45 VanDerWaalsContact C-N 3.32Å; I43-E45 PolarHBondContact O-N 3.33Å; I43-I46 HydrophobicContact CD1-CG2 4.49Å; I43-I46 WeakPolarHBondContact O-CG2 3.42Å; I43-I47 HydrophobicContact CG2-CG1 4.26Å; I43-I47 WeakPolarHBondContact O-CB 3.46Å; I43-I47 WeakPolarHBondContact O-CG1 3.4Å; I43-I47 PolarHBondContact O-N 3.44Å; I43-Y250 HydrophobicContact CB-CE2 4.22Å; I43-Y250 WeakPolarHBondContact CG1-OH 3.44Å; I43-Y250 HydrophobicContact CG2-CD2 4.38Å; I43-Y250 HydrophobicContact CG2-CE2 3.47Å; I43-Y250 VanDerWaalsContact CG2-CE2 3.47Å; I43-I304 HydrophobicContact CG2-CB 3.99Å; I43-I304 HydrophobicContact CG2-CD1 4.33Å; I43-I304 HydrophobicContact CG2-CG2 3.84Å
44Y97.9Very high97Very high9 Ų952.8 Ų52.84%0.03526%0.259CS..Hα-helixtrans-59.1-48.1173.7-56.4-35.9000110.7P40 D41 I47 E48 R73 W205 Y250P40-Y44 HydrophobicContact CB-CE2 3.99Å; P40-Y44 WeakPolarHBondContact O-CD2 3.21Å; P40-Y44 PolarHBondContact O-N 2.93Å; D41-Y44 PolarHBondContact O-N 3.45Å; D41-Y44 WeakPolarHBondContact OD1-CD2 3.46Å; Y44-I47 PolarHBondContact O-N 2.97Å; Y44-E48 WeakPolarHBondContact O-CB 3.45Å; Y44-E48 WeakPolarHBondContact O-CG 3.39Å; Y44-E48 PolarHBondContact O-N 3.31Å; Y44-R73 VanDerWaalsContact CD2-NH2 3.32Å; Y44-W205 AromaticContact CD1-CD2 3.38Å; Y44-W205 HydrophobicContact CD1-CD2 3.38Å; Y44-W205 AromaticContact CD1-CE2 3.49Å; Y44-W205 VanDerWaalsContact CD1-CE2 3.49Å; Y44-W205 AromaticContact CD1-CE3 3.62Å; Y44-W205 HydrophobicContact CD1-CE3 3.62Å; Y44-W205 AromaticContact CD1-CG 3.85Å; Y44-W205 HydrophobicContact CD1-CG 3.85Å; Y44-W205 HydrophobicContact CD1-CH2 4.02Å; Y44-W205 AromaticContact CD1-CZ2 3.83Å; Y44-W205 HydrophobicContact CD1-CZ2 3.83Å; Y44-W205 AromaticContact CD1-CZ3 3.91Å; Y44-W205 HydrophobicContact CD1-CZ3 3.91Å; Y44-W205 AromaticContact CD1-NE1 3.94Å; Y44-W205 HydrophobicContact CE1-CB 4.33Å; Y44-W205 AromaticContact CE1-CD2 3.69Å; Y44-W205 HydrophobicContact CE1-CD2 3.69Å; Y44-W205 AromaticContact CE1-CE3 3.62Å; Y44-W205 HydrophobicContact CE1-CE3 3.62Å; Y44-W205 HydrophobicContact CE1-CG 4.02Å; Y44-W205 HydrophobicContact CE1-CZ3 4.12Å; Y44-W205 HydrophobicContact CG-CD2 4.31Å; Y44-W205 HydrophobicContact CG-CG 4.49Å; Y44-Y250 HydrophobicContact CE1-CD1 4.16Å; Y44-Y250 HydrophobicContact CE1-CD2 4.03Å; Y44-Y250 AromaticContact CE1-CG 3.68Å; Y44-Y250 HydrophobicContact CE1-CG 3.68Å; Y44-Y250 WeakPolarHBondContact OH-CB 3.37Å
45E97.6Very high96.9Very high120 Ų12052.3 Ų52.356%0.56126%0.256SS*.Hα-helixtrans-61.5-47.9-179.4-177.2178.9167.300112.4D41 I43 I47 E48 N49D41-E45 PolarHBondContact O-N 3.02Å; I43-E45 VanDerWaalsContact C-N 3.32Å; I43-E45 PolarHBondContact O-N 3.33Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.04Å; E45-E48 PolarHBondContact O-N 3.15Å; E45-N49 WeakPolarHBondContact CG-ND2 3.2Å; E45-N49 VanDerWaalsContact O-CB 3.27Å; E45-N49 WeakPolarHBondContact O-CB 3.43Å; E45-N49 VanDerWaalsContact O-CG 3.25Å; E45-N49 PolarHBondContact O-N 3.46Å; E45-N49 PolarHBondContact O-ND2 3.06Å
46I97.3Very high96.6Very high61 Ų6155.6 Ų55.631%0.31328%0.279SS..Hα-helixtrans-64.9-38.4-177.3-163.1172.8000112M35 D42 I43 M50M35-I46 HydrophobicContact CE-CD1 4.34Å; M35-I46 HydrophobicContact SD-CD1 3.73Å; M35-I46 HydrophobicContact SD-CG2 4.46Å; D42-I46 WeakPolarHBondContact O-CG2 3.29Å; D42-I46 PolarHBondContact O-N 3.31Å; D42-I46 VanDerWaalsContact O-N 3.08Å; I43-I46 HydrophobicContact CD1-CG2 4.49Å; I43-I46 WeakPolarHBondContact O-CG2 3.42Å; I46-M50 VanDerWaalsContact O-CB 3.3Å; I46-M50 WeakPolarHBondContact O-CB 3.43Å; I46-M50 PolarHBondContact O-N 2.97Å
47I97.8Very high96.4Very high0 Ų059.5 Ų59.50%030%0.302CS..Hα-helixtrans-73.9-41.9-179.5-62-65.9000111.2I33 I43 Y44 E45 M50 L51 W205 L252 I304 L306I33-I47 HydrophobicContact CD1-CD1 3.73Å; I43-I47 HydrophobicContact CG2-CG1 4.26Å; I43-I47 WeakPolarHBondContact O-CB 3.46Å; I43-I47 WeakPolarHBondContact O-CG1 3.4Å; I43-I47 PolarHBondContact O-N 3.44Å; Y44-I47 PolarHBondContact O-N 2.97Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.04Å; I47-M50 PolarHBondContact O-N 3.29Å; I47-L51 HydrophobicContact CG2-CD1 4.07Å; I47-L51 WeakPolarHBondContact O-CG 3.38Å; I47-L51 PolarHBondContact O-N 3.14Å; I47-W205 HydrophobicContact CB-CH2 3.96Å; I47-W205 HydrophobicContact CB-CZ2 3.92Å; I47-W205 HydrophobicContact CG1-CH2 4.22Å; I47-W205 HydrophobicContact CG2-CH2 3.84Å; I47-W205 HydrophobicContact CG2-CZ2 3.89Å; I47-L252 HydrophobicContact CG2-CD2 3.86Å; I47-I304 HydrophobicContact CD1-CD1 4.46Å; I47-I304 HydrophobicContact CD1-CG2 3.52Å; I47-I304 HydrophobicContact CG1-CD1 4.13Å; I47-I304 HydrophobicContact CG1-CG2 3.83Å; I47-L306 HydrophobicContact CD1-CD1 4.13Å; I47-L306 HydrophobicContact CD1-CG 4.43Å; I47-L306 HydrophobicContact CG2-CD1 4.43Å; I47-L306 HydrophobicContact CG2-CD2 4.46Å
48E98Very high96.1Very high12 Ų1252.6 Ų52.66%0.05627%0.272CS..Hα-helixtrans-60.7-45.9174.4-79180-163.500111.6Y44 E45 M50 L51 L52 T69 P70 F71 W205Y44-E48 WeakPolarHBondContact O-CB 3.45Å; Y44-E48 WeakPolarHBondContact O-CG 3.39Å; Y44-E48 PolarHBondContact O-N 3.31Å; E45-E48 PolarHBondContact O-N 3.15Å; E48-M50 VanDerWaalsContact C-N 3.35Å; E48-M50 PolarHBondContact O-N 2.99Å; E48-L51 PolarHBondContact O-N 3.23Å; E48-L52 WeakPolarHBondContact O-CG 3.29Å; E48-L52 PolarHBondContact O-N 3.42Å; E48-T69 HydrophobicContact CB-CG2 3.7Å; E48-T69 HydrophobicContact CG-CG2 4.07Å; E48-P70 VanDerWaalsContact OE2-CA 3.27Å; E48-P70 WeakPolarHBondContact OE2-CA 3.42Å; E48-F71 HydrophobicContact CG-CD2 3.54Å; E48-F71 HydrophobicContact CG-CE2 3.75Å; E48-F71 HydrophobicContact CG-CG 3.97Å; E48-F71 HydrophobicContact CG-CZ 4.32Å; E48-F71 PolarHBondContact OE1-N 3.18Å; E48-F71 VanDerWaalsContact OE1-N 3.12Å; E48-W205 PolarHBondContact OE1-NE1 2.84Å
49N97.2Very high95.7Very high82 Ų8255.5 Ų55.544%0.43929%0.286SS..Hα-helixtrans-64.3-38.5175.7-75.3-28.3000112.3E45 L52 Y53E45-N49 WeakPolarHBondContact CG-ND2 3.2Å; E45-N49 VanDerWaalsContact O-CB 3.27Å; E45-N49 WeakPolarHBondContact O-CB 3.43Å; E45-N49 VanDerWaalsContact O-CG 3.25Å; E45-N49 PolarHBondContact O-N 3.46Å; E45-N49 PolarHBondContact O-ND2 3.06Å; N49-L52 PolarHBondContact O-N 3.11Å; N49-Y53 WeakPolarHBondContact O-CB 3.41Å; N49-Y53 PolarHBondContact O-N 2.97Å
50M96.6Very high95.3Very high48 Ų4856.9 Ų56.924%0.23630%0.298CS..Hα-helixtrans-62.6-45.6174.8-173.9-158.670.900111.2L31 I46 I47 E48 Y53 I54 L306L31-M50 HydrophobicContact CD2-CE 4.31Å; L31-M50 HydrophobicContact CD2-SD 3.52Å; L31-M50 VanDerWaalsContact CD2-SD 3.52Å; I46-M50 VanDerWaalsContact O-CB 3.3Å; I46-M50 WeakPolarHBondContact O-CB 3.43Å; I46-M50 PolarHBondContact O-N 2.97Å; I47-M50 PolarHBondContact O-N 3.29Å; E48-M50 VanDerWaalsContact C-N 3.35Å; E48-M50 PolarHBondContact O-N 2.99Å; M50-Y53 WeakPolarHBondContact O-CB 3.48Å; M50-Y53 PolarHBondContact O-N 3.32Å; M50-I54 PolarHBondContact O-N 2.94Å; M50-I54 VanDerWaalsContact O-N 3.09Å; M50-L306 HydrophobicContact CE-CD1 3.43Å; M50-L306 VanDerWaalsContact CE-CD1 3.43Å; M50-L306 HydrophobicContact SD-CD1 4.44Å
51L96.1Very high94.7Very high0 Ų060.2 Ų60.20%032%0.318CS..Hα-helixtrans-65.2-41.1178.7-72.8167.6000111.9I47 E48 Y53 I54 W55 I67 F71 F203 L252 L311 F315I47-L51 HydrophobicContact CG2-CD1 4.07Å; I47-L51 WeakPolarHBondContact O-CG 3.38Å; I47-L51 PolarHBondContact O-N 3.14Å; E48-L51 PolarHBondContact O-N 3.23Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; L51-Y53 PolarHBondContact O-N 2.53Å; L51-I54 HydrophobicContact CD2-CD1 4.1Å; L51-I54 WeakPolarHBondContact O-CG1 3.49Å; L51-I54 PolarHBondContact O-N 3.33Å; L51-W55 WeakPolarHBondContact O-CB 3.37Å; L51-W55 PolarHBondContact O-N 3.38Å; L51-I67 HydrophobicContact CB-CD1 4.01Å; L51-F71 HydrophobicContact CB-CZ 4.36Å; L51-F71 HydrophobicContact CD1-CE2 3.58Å; L51-F71 HydrophobicContact CD1-CZ 3.92Å; L51-F203 HydrophobicContact CD1-CD1 4.4Å; L51-F203 HydrophobicContact CD1-CE1 4.13Å; L51-F203 HydrophobicContact CD1-CZ 4.36Å; L51-F203 HydrophobicContact CD2-CZ 4.43Å; L51-L252 HydrophobicContact CD1-CD2 3.9Å; L51-L311 HydrophobicContact CD2-CD2 4.28Å; L51-F315 HydrophobicContact CD2-CZ 4.08Å
52L95.5Very high94Very high58 Ų5858.1 Ų58.130%0.30431%0.31SS..Hα-helixtrans-59.7-42.3171.8-78.2174.8000112.1E48 N49 W55 I67 T69E48-L52 WeakPolarHBondContact O-CG 3.29Å; E48-L52 PolarHBondContact O-N 3.42Å; N49-L52 PolarHBondContact O-N 3.11Å; L52-W55 WeakPolarHBondContact O-CB 3.4Å; L52-W55 PolarHBondContact O-N 3.34Å; L52-I67 HydrophobicContact CD2-CD1 4.18Å; L52-I67 HydrophobicContact CD2-CG1 3.97Å; L52-I67 HydrophobicContact CG-CD1 4.5Å; L52-T69 HydrophobicContact CD1-CG2 3.52Å; L52-T69 WeakPolarHBondContact CD1-OG1 3.41Å; L52-T69 HydrophobicContact CD2-CG2 4.14Å; L52-T69 HydrophobicContact CG-CG2 3.67Å
53Y95.7Very high93.2Very high196 Ų19658.1 Ų58.177%0.76933%0.325SS*.Hα-helixtrans-64.2-41.6-179-179.2-96.1000112.5N49 M50 L51 W55 P56N49-Y53 WeakPolarHBondContact O-CB 3.41Å; N49-Y53 PolarHBondContact O-N 2.97Å; M50-Y53 WeakPolarHBondContact O-CB 3.48Å; M50-Y53 PolarHBondContact O-N 3.32Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; L51-Y53 PolarHBondContact O-N 2.53Å; Y53-W55 VanDerWaalsContact C-N 3.3Å; Y53-P56 WeakPolarHBondContact O-CD 3.48Å
54I93.9Very high92.4Very high54 Ų5459.7 Ų59.728%0.27734%0.336SS..Hα-helixtrans-79.3-15.2177.869.4172.8000112.9M50 L51 P56 T57 V58 F315M50-I54 PolarHBondContact O-N 2.94Å; M50-I54 VanDerWaalsContact O-N 3.09Å; L51-I54 HydrophobicContact CD2-CD1 4.1Å; L51-I54 WeakPolarHBondContact O-CG1 3.49Å; L51-I54 PolarHBondContact O-N 3.33Å; I54-P56 VanDerWaalsContact C-CD 3.46Å; I54-T57 WeakPolarHBondContact O-CB 3.21Å; I54-T57 PolarHBondContact O-N 2.79Å; I54-V58 HydrophobicContact CD1-CG2 4.39Å; I54-V58 HydrophobicContact CG1-CG2 4.33Å; I54-V58 PolarHBondContact O-N 3.17Å; I54-F315 HydrophobicContact CD1-CE2 3.94Å; I54-F315 HydrophobicContact CD1-CZ 4.39Å
55W94.4Very high91.8Very high11 Ų1165.3 Ų65.34%0.04236%0.362CS..Hα-helixtrans-56.1-40-170.4-154.5-103.3000115L51 L52 Y53 T57 V58 Q59 Q65 I67 F201 F203 F315L51-W55 WeakPolarHBondContact O-CB 3.37Å; L51-W55 PolarHBondContact O-N 3.38Å; L52-W55 WeakPolarHBondContact O-CB 3.4Å; L52-W55 PolarHBondContact O-N 3.34Å; Y53-W55 VanDerWaalsContact C-N 3.3Å; W55-T57 PolarHBondContact O-N 2.8Å; W55-V58 HydrophobicContact CD2-CB 4.49Å; W55-V58 HydrophobicContact CE3-CB 4.37Å; W55-V58 HydrophobicContact CE3-CG1 4.47Å; W55-V58 HydrophobicContact CH2-CG1 4.35Å; W55-V58 HydrophobicContact CZ3-CG1 4.31Å; W55-V58 PolarHBondContact O-N 3.31Å; W55-Q59 WeakPolarHBondContact O-CB 3.44Å; W55-Q59 PolarHBondContact O-N 3.45Å; W55-Q65 WeakPolarHBondContact CZ2-O 3.22Å; W55-Q65 PolarHBondContact NE1-O 3.37Å; W55-I67 HydrophobicContact CB-CD1 4.42Å; W55-I67 HydrophobicContact CB-CG1 4.32Å; W55-I67 HydrophobicContact CD2-CB 4.22Å; W55-I67 HydrophobicContact CD2-CD1 3.64Å; W55-I67 HydrophobicContact CD2-CG1 3.42Å; W55-I67 VanDerWaalsContact CD2-CG1 3.42Å; W55-I67 HydrophobicContact CD2-CG2 4.05Å; W55-I67 HydrophobicContact CE3-CB 4.44Å; W55-I67 HydrophobicContact CE3-CD1 3.31Å; W55-I67 HydrophobicContact CE3-CG1 3.65Å; W55-I67 HydrophobicContact CE3-CG2 4.07Å; W55-I67 HydrophobicContact CG-CD1 4.12Å; W55-I67 HydrophobicContact CG-CG1 3.7Å; W55-I67 HydrophobicContact CH2-CB 4.4Å; W55-I67 HydrophobicContact CH2-CD1 4.48Å; W55-I67 HydrophobicContact CH2-CG1 4.46Å; W55-I67 HydrophobicContact CH2-CG2 3.27Å; W55-I67 HydrophobicContact CZ2-CB 4.19Å; W55-I67 HydrophobicContact CZ2-CG1 4.29Å; W55-I67 HydrophobicContact CZ2-CG2 3.24Å; W55-I67 HydrophobicContact CZ3-CD1 3.78Å; W55-I67 HydrophobicContact CZ3-CG1 4.17Å; W55-I67 HydrophobicContact CZ3-CG2 3.7Å; W55-F201 HydrophobicContact CH2-CB 3.75Å; W55-F201 AromaticContact CH2-CD2 3.31Å; W55-F201 HydrophobicContact CH2-CD2 3.31Å; W55-F201 AromaticContact CH2-CE2 3.99Å; W55-F201 HydrophobicContact CH2-CE2 3.99Å; W55-F201 AromaticContact CH2-CG 3.69Å; W55-F201 HydrophobicContact CH2-CG 3.69Å; W55-F201 HydrophobicContact CZ2-CB 4.33Å; W55-F201 AromaticContact CZ2-CD2 3.51Å; W55-F201 HydrophobicContact CZ2-CD2 3.51Å; W55-F201 HydrophobicContact CZ2-CE2 4.15Å; W55-F201 HydrophobicContact CZ2-CG 4.26Å; W55-F203 AromaticContact CH2-CE2 3.94Å; W55-F203 HydrophobicContact CH2-CE2 3.94Å; W55-F203 AromaticContact CZ3-CE2 3.79Å; W55-F203 HydrophobicContact CZ3-CE2 3.79Å; W55-F203 HydrophobicContact CZ3-CZ 4.33Å; W55-F315 HydrophobicContact CH2-CE1 4.37Å; W55-F315 AromaticContact CZ3-CE1 3.91Å; W55-F315 HydrophobicContact CZ3-CE1 3.91Å; W55-F315 HydrophobicContact CZ3-CZ 4.25Å
56P93.1Very high91.3Very high84 Ų8463.6 Ų63.655%0.54536%0.361SS..Hα-helixtrans-56.9-34.4176-2736.4000113.4Y53 I54 S60Y53-P56 WeakPolarHBondContact O-CD 3.48Å; I54-P56 VanDerWaalsContact C-CD 3.46Å; P56-S60 WeakPolarHBondContact O-CB 3.49Å; P56-S60 PolarHBondContact O-N 2.97Å; P56-S60 VanDerWaalsContact O-N 3.08Å; P56-S60 PolarHBondContact O-OG 3.41Å
57T92.5Very high91.1Very high95 Ų9561.7 Ų61.758%0.58335%0.352SS*.Hα-helixtrans-73.2-40176.2-54.50000111.4I54 W55 S60 T61I54-T57 WeakPolarHBondContact O-CB 3.21Å; I54-T57 PolarHBondContact O-N 2.79Å; W55-T57 PolarHBondContact O-N 2.8Å; T57-S60 PolarHBondContact O-OG 3.21Å; T57-T61 WeakPolarHBondContact O-CB 3.44Å; T57-T61 PolarHBondContact O-N 2.8Å; T57-T61 PolarHBondContact O-OG1 3.03Å
58V91.5Very high90.8Very high13 Ų1366.2 Ų66.28%0.07938%0.383CS..Hα-helixtrans-64.3-46.9175.5176.90000110.2I54 W55 S60 T61 S62 F201 F315I54-V58 HydrophobicContact CD1-CG2 4.39Å; I54-V58 HydrophobicContact CG1-CG2 4.33Å; I54-V58 PolarHBondContact O-N 3.17Å; W55-V58 HydrophobicContact CD2-CB 4.49Å; W55-V58 HydrophobicContact CE3-CB 4.37Å; W55-V58 HydrophobicContact CE3-CG1 4.47Å; W55-V58 HydrophobicContact CH2-CG1 4.35Å; W55-V58 HydrophobicContact CZ3-CG1 4.31Å; W55-V58 PolarHBondContact O-N 3.31Å; V58-S60 PolarHBondContact O-N 3.16Å; V58-T61 PolarHBondContact O-N 3.36Å; V58-S62 WeakPolarHBondContact O-CB 3.4Å; V58-S62 PolarHBondContact O-N 3.35Å; V58-S62 PolarHBondContact O-OG 3.05Å; V58-F201 HydrophobicContact CG1-CE2 4.44Å; V58-F315 HydrophobicContact CG1-CB 4.07Å; V58-F315 HydrophobicContact CG1-CD1 3.93Å; V58-F315 HydrophobicContact CG1-CD2 4.32Å; V58-F315 HydrophobicContact CG1-CE1 4.43Å; V58-F315 HydrophobicContact CG1-CG 3.87Å; V58-F315 HydrophobicContact CG2-CD2 3.75Å; V58-F315 HydrophobicContact CG2-CE2 3.82Å; V58-F315 HydrophobicContact CG2-CG 4.17Å; V58-F315 HydrophobicContact CG2-CZ 4.31Å
59Q89.9Confident90.6Very high79 Ų7968.1 Ų68.137%0.36940%0.396SS..Hα-helixtrans-62.6-42.5-179.4179166.453.100112.2W55 T61 G63 C64W55-Q59 WeakPolarHBondContact O-CB 3.44Å; W55-Q59 PolarHBondContact O-N 3.45Å; Q59-T61 PolarHBondContact O-N 3.26Å; Q59-G63 WeakPolarHBondContact O-CA 3.37Å; Q59-G63 PolarHBondContact O-N 3.18Å; Q59-C64 WeakPolarHBondContact CG-O 3.2Å; Q59-C64 PolarHBondContact NE2-O 3.08Å; Q59-C64 VanDerWaalsContact NE2-O 3.1Å
60S88.4Confident90.6Very high97 Ų9769.1 Ų69.168%0.67841%0.407SS*.Hα-helixtrans-65.7-27.6177.166.70000113.1P56 T57 V58P56-S60 WeakPolarHBondContact O-CB 3.49Å; P56-S60 PolarHBondContact O-N 2.97Å; P56-S60 VanDerWaalsContact O-N 3.08Å; P56-S60 PolarHBondContact O-OG 3.41Å; T57-S60 PolarHBondContact O-OG 3.21Å; V58-S60 PolarHBondContact O-N 3.16Å
61T83.4Confident90.6Very high98 Ų9867.5 Ų67.560%0.60140%0.398SS*.Hα-helixtrans-88.1-39.8-178.8-52.90000112.7T57 V58 Q59T57-T61 WeakPolarHBondContact O-CB 3.44Å; T57-T61 PolarHBondContact O-N 2.8Å; T57-T61 PolarHBondContact O-OG1 3.03Å; V58-T61 PolarHBondContact O-N 3.36Å; Q59-T61 PolarHBondContact O-N 3.26Å
62S81.3Confident90.6Very high39 Ų3972.9 Ų72.927%0.27343%0.425SS..Hα-helixtrans-101.3-17.1-171.263.60000114.2V58 C64 F315V58-S62 WeakPolarHBondContact O-CB 3.4Å; V58-S62 PolarHBondContact O-N 3.35Å; V58-S62 PolarHBondContact O-OG 3.05Å; S62-C64 VanDerWaalsContact CB-SG 3.56Å; S62-C64 PolarHBondContact O-N 2.91Å; S62-C64 WeakPolarHBondContact OG-CB 3.27Å; S62-C64 PolarHBondContact OG-N 2.85Å; S62-C64 PolarHBondContact OG-SG 2.81Å; S62-C64 VanDerWaalsContact OG-SG 3.33Å; S62-F315 WeakPolarHBondContact CB-O 3.33Å
63G81.4Confident90.7Very high65 Ų6575.4 Ų75.467%0.6743%0.431SS*.  trans67.613.6-172.700000114Q59Q59-G63 WeakPolarHBondContact O-CA 3.37Å; Q59-G63 PolarHBondContact O-N 3.18Å
64C81.9Confident90.8Very high33 Ų3366.9 Ų66.922%0.22340%0.398CS..PPolyproline II helixtrans-77.2164.3-174.4-66.10000113.8Q59 S62 F201Q59-C64 WeakPolarHBondContact CG-O 3.2Å; Q59-C64 PolarHBondContact NE2-O 3.08Å; Q59-C64 VanDerWaalsContact NE2-O 3.1Å; S62-C64 VanDerWaalsContact CB-SG 3.56Å; S62-C64 PolarHBondContact O-N 2.91Å; S62-C64 WeakPolarHBondContact OG-CB 3.27Å; S62-C64 PolarHBondContact OG-N 2.85Å; S62-C64 PolarHBondContact OG-SG 2.81Å; S62-C64 VanDerWaalsContact OG-SG 3.33Å; C64-F201 HydrophobicContact CB-CD2 3.87Å; C64-F201 HydrophobicContact CB-CE2 3.39Å; C64-F201 HydrophobicContact CB-CZ 4.43Å; C64-F201 WeakPolarHBondContact SG-CE2 3.39Å
65Q84.7Confident91Very high127 Ų12767.6 Ų67.659%0.59340%0.4SS*.PPolyproline II helixtrans-63.9153.9175.9-65.5-57.1-39.800111.6W55W55-Q65 WeakPolarHBondContact CZ2-O 3.22Å; W55-Q65 PolarHBondContact NE1-O 3.37Å
66P87.9Confident91.1Very high83 Ų8368.5 Ų68.554%0.53940%0.404SS..PPolyproline II helixtrans-60.1145.6171.127.3-34.4000110.8
67I92.8Very high91.2Very high22 Ų2267.8 Ų67.811%0.11340%0.4CS..PPolyproline II helixtrans-86.8156.8164.156171.6000110.4L51 L52 W55 F71 F201 F203L51-I67 HydrophobicContact CB-CD1 4.01Å; L52-I67 HydrophobicContact CD2-CD1 4.18Å; L52-I67 HydrophobicContact CD2-CG1 3.97Å; L52-I67 HydrophobicContact CG-CD1 4.5Å; W55-I67 HydrophobicContact CB-CD1 4.42Å; W55-I67 HydrophobicContact CB-CG1 4.32Å; W55-I67 HydrophobicContact CD2-CB 4.22Å; W55-I67 HydrophobicContact CD2-CD1 3.64Å; W55-I67 HydrophobicContact CD2-CG1 3.42Å; W55-I67 VanDerWaalsContact CD2-CG1 3.42Å; W55-I67 HydrophobicContact CD2-CG2 4.05Å; W55-I67 HydrophobicContact CE3-CB 4.44Å; W55-I67 HydrophobicContact CE3-CD1 3.31Å; W55-I67 HydrophobicContact CE3-CG1 3.65Å; W55-I67 HydrophobicContact CE3-CG2 4.07Å; W55-I67 HydrophobicContact CG-CD1 4.12Å; W55-I67 HydrophobicContact CG-CG1 3.7Å; W55-I67 HydrophobicContact CH2-CB 4.4Å; W55-I67 HydrophobicContact CH2-CD1 4.48Å; W55-I67 HydrophobicContact CH2-CG1 4.46Å; W55-I67 HydrophobicContact CH2-CG2 3.27Å; W55-I67 HydrophobicContact CZ2-CB 4.19Å; W55-I67 HydrophobicContact CZ2-CG1 4.29Å; W55-I67 HydrophobicContact CZ2-CG2 3.24Å; W55-I67 HydrophobicContact CZ3-CD1 3.78Å; W55-I67 HydrophobicContact CZ3-CG1 4.17Å; W55-I67 HydrophobicContact CZ3-CG2 3.7Å; I67-F71 HydrophobicContact CB-CE1 4.44Å; I67-F71 HydrophobicContact CD1-CE1 4.28Å; I67-F71 HydrophobicContact CD1-CZ 4.08Å; I67-F201 HydrophobicContact CG2-CB 4.4Å; I67-F203 HydrophobicContact CG2-CD2 4.01Å; I67-F203 HydrophobicContact CG2-CE2 4.05Å
68S91.8Very high91.5Very high95 Ų9565.5 Ų65.566%0.66438%0.384SS*.  trans-125.8144.617258.50000110.3F71S68-F71 WeakPolarHBondContact O-CD1 3.49Å
69T93.4Very high91.7Very high52 Ų5264.9 Ų64.932%0.31938%0.38SS..SBendtrans-111.3157.4170.862.20000109.4E48 L52 F71E48-T69 HydrophobicContact CB-CG2 3.7Å; E48-T69 HydrophobicContact CG-CG2 4.07Å; L52-T69 HydrophobicContact CD1-CG2 3.52Å; L52-T69 WeakPolarHBondContact CD1-OG1 3.41Å; L52-T69 HydrophobicContact CD2-CG2 4.14Å; L52-T69 HydrophobicContact CG-CG2 3.67Å; T69-F71 HydrophobicContact CG2-CD1 4.22Å; T69-F71 HydrophobicContact CG2-CE1 3.88Å; T69-F71 HydrophobicContact CG2-CZ 4.35Å
70P96.3Very high92.1Very high103 Ų10361.5 Ų61.567%0.66937%0.365SS*.SBendcis-70.2148.5-1.330.6-35.2000112.8E48E48-P70 VanDerWaalsContact OE2-CA 3.27Å; E48-P70 WeakPolarHBondContact OE2-CA 3.42Å
71F97.2Very high92.5Very high13 Ų1359.2 Ų59.26%0.05735%0.349CS..PPolyproline II helixtrans-69.8153.1173.6-63.6-25.1000110.7E48 L51 I67 S68 T69 R73 F203 W205 L252E48-F71 HydrophobicContact CG-CD2 3.54Å; E48-F71 HydrophobicContact CG-CE2 3.75Å; E48-F71 HydrophobicContact CG-CG 3.97Å; E48-F71 HydrophobicContact CG-CZ 4.32Å; E48-F71 PolarHBondContact OE1-N 3.18Å; E48-F71 VanDerWaalsContact OE1-N 3.12Å; L51-F71 HydrophobicContact CB-CZ 4.36Å; L51-F71 HydrophobicContact CD1-CE2 3.58Å; L51-F71 HydrophobicContact CD1-CZ 3.92Å; I67-F71 HydrophobicContact CB-CE1 4.44Å; I67-F71 HydrophobicContact CD1-CE1 4.28Å; I67-F71 HydrophobicContact CD1-CZ 4.08Å; S68-F71 WeakPolarHBondContact O-CD1 3.49Å; T69-F71 HydrophobicContact CG2-CD1 4.22Å; T69-F71 HydrophobicContact CG2-CE1 3.88Å; T69-F71 HydrophobicContact CG2-CZ 4.35Å; F71-R73 PolarHBondContact O-N 3.11Å; F71-F203 HydrophobicContact CB-CB 4.39Å; F71-F203 HydrophobicContact CD1-CB 3.81Å; F71-F203 HydrophobicContact CD2-CB 3.5Å; F71-F203 HydrophobicContact CD2-CG 4.22Å; F71-F203 HydrophobicContact CE1-CB 3.86Å; F71-F203 HydrophobicContact CE1-CD2 4.17Å; F71-F203 HydrophobicContact CE1-CG 4.26Å; F71-F203 HydrophobicContact CE2-CB 3.55Å; F71-F203 HydrophobicContact CE2-CD1 4.17Å; F71-F203 HydrophobicContact CE2-CD2 4.27Å; F71-F203 AromaticContact CE2-CG 3.76Å; F71-F203 HydrophobicContact CE2-CG 3.76Å; F71-F203 HydrophobicContact CG-CB 3.64Å; F71-F203 HydrophobicContact CZ-CB 3.74Å; F71-F203 AromaticContact CZ-CD2 3.83Å; F71-F203 HydrophobicContact CZ-CD2 3.83Å; F71-F203 AromaticContact CZ-CG 3.79Å; F71-F203 HydrophobicContact CZ-CG 3.79Å; F71-W205 AromaticContact CD2-NE1 3.88Å; F71-L252 HydrophobicContact CD2-CD1 3.97Å; F71-L252 HydrophobicContact CE2-CD1 4.26Å
72M96.4Very high93.1Very high113 Ų11360 Ų6056%0.55734%0.341SS*.EExtended strand (participates in β ladder)trans-58.1137.8175.4-179.2-178.2-6700109.7M74 L204 W205M72-M74 HydrophobicContact SD-CE 4.09Å; M72-L204 HydrophobicContact CB-CB 4.09Å; M72-L204 CarbonylContact O-C 3.43Å; M72-L204 WeakPolarHBondContact O-CA 3.31Å; M72-L204 WeakPolarHBondContact O-CB 3.26Å; M72-W205 PolarHBondContact O-N 3.32Å
73R97.4Very high93.9Very high112 Ų11259.4 Ų59.442%0.42333%0.332SS..EExtended strand (participates in β ladder)trans-113.8133.1173.1-54.7-175.1-176176.8-3.2109.2D41 Y44 F71 W205D41-R73 IonicContact OD1-CZ 3.35Å; D41-R73 IonicContact OD1-NH1 2.65Å; D41-R73 PolarHBondContact OD1-NH1 3.39Å; D41-R73 IonicContact OD1-NH2 3.29Å; D41-R73 PolarHBondContact OD1-NH2 3.4Å; Y44-R73 VanDerWaalsContact CD2-NH2 3.32Å; F71-R73 PolarHBondContact O-N 3.11Å; R73-W205 WeakPolarHBondContact CA-O 3.35Å; R73-W205 HydrophobicContact CG-CB 4.18Å
74M97.6Very high94.7Very high17 Ų1756.5 Ų56.58%0.08430%0.302CS..EExtended strand (participates in β ladder)trans-135.3135.8-178.5-178-175.6-51.500109.4M72 D78 A79 Y83 P88 V90 W205 I206 N207M72-M74 HydrophobicContact SD-CE 4.09Å; M74-D78 HydrophobicContact CG-CB 3.76Å; M74-A79 HydrophobicContact CG-CB 4.22Å; M74-A79 WeakPolarHBondContact SD-CA 3.45Å; M74-A79 HydrophobicContact SD-CB 3.66Å; M74-Y83 HydrophobicContact CE-CD2 4.39Å; M74-Y83 HydrophobicContact CE-CE2 3.56Å; M74-Y83 HydrophobicContact SD-CD2 4.02Å; M74-Y83 HydrophobicContact SD-CE2 3.71Å; M74-P88 HydrophobicContact CE-CG 4.46Å; M74-P88 HydrophobicContact SD-CG 4.14Å; M74-V90 HydrophobicContact CE-CG1 4.42Å; M74-W205 PolarHBondContact N-O 3.25Å; M74-I206 HydrophobicContact CB-CD1 3.94Å; M74-I206 HydrophobicContact CG-CD1 4.29Å; M74-I206 VanDerWaalsContact O-CA 3.29Å; M74-I206 WeakPolarHBondContact O-CA 3.34Å; M74-I206 HydrophobicContact SD-CD1 4.26Å; M74-N207 PolarHBondContact O-N 2.83Å; M74-N207 VanDerWaalsContact O-N 3.1Å
75Q97.6Very high95.4Very high69 Ų6956.2 Ų56.232%0.32230%0.301SS..EExtended strand (participates in β ladder)trans-72.6148.1175.4-63.1-179.70.400109.6C77 D78 A79 N207 Q208Q75-C77 PolarHBondContact O-N 3.41Å; Q75-C77 PolarHBondContact OE1-SG 3.32Å; Q75-D78 HydrophobicContact CB-CB 4.49Å; Q75-D78 WeakPolarHBondContact O-CB 3.29Å; Q75-D78 PolarHBondContact O-N 3.32Å; Q75-A79 PolarHBondContact O-N 3.04Å; Q75-N207 CarbonylContact C-O 3.58Å; Q75-N207 WeakPolarHBondContact CA-O 3.45Å; Q75-Q208 VanDerWaalsContact CD-OE1 3.31Å; Q75-Q208 HydrophobicContact CG-CB 4.41Å; Q75-Q208 HydrophobicContact CG-CG 4.38Å
76Y97.3Very high95.9Very high30 Ų3052.6 Ų52.612%0.11829%0.286CS..Hα-helixtrans-52.4-41.5176.1168.9-92.8000111.9D78 A79 M80 D86 E172 N207 F209 P210Y76-D78 PolarHBondContact O-N 3.19Å; Y76-A79 PolarHBondContact O-N 3.03Å; Y76-M80 HydrophobicContact CD1-CG 4.24Å; Y76-M80 HydrophobicContact CD2-CG 4.14Å; Y76-M80 HydrophobicContact CE1-CG 3.77Å; Y76-M80 HydrophobicContact CE2-CG 3.7Å; Y76-M80 HydrophobicContact CE2-SD 4.1Å; Y76-M80 HydrophobicContact CG-CG 4.41Å; Y76-M80 VanDerWaalsContact CZ-CG 3.48Å; Y76-M80 WeakPolarHBondContact O-CB 3.46Å; Y76-M80 WeakPolarHBondContact O-CG 3.22Å; Y76-M80 PolarHBondContact O-N 3.41Å; Y76-D86 HydrophobicContact CD2-CB 3.99Å; Y76-D86 HydrophobicContact CE2-CB 3.89Å; Y76-E172 VanDerWaalsContact OH-CD 3.24Å; Y76-E172 PolarHBondContact OH-OE1 3.39Å; Y76-E172 VanDerWaalsContact OH-OE1 3.06Å; Y76-N207 PolarHBondContact N-O 2.86Å; Y76-F209 AromaticContact CD2-CD1 3.25Å; Y76-F209 HydrophobicContact CD2-CD1 3.25Å; Y76-F209 AromaticContact CD2-CE1 3.51Å; Y76-F209 HydrophobicContact CD2-CE1 3.51Å; Y76-F209 HydrophobicContact CD2-CG 4.17Å; Y76-F209 AromaticContact CE2-CD1 3.94Å; Y76-F209 HydrophobicContact CE2-CD1 3.94Å; Y76-F209 HydrophobicContact CE2-CE1 4.21Å; Y76-F209 AromaticContact CG-CD1 3.78Å; Y76-F209 HydrophobicContact CG-CD1 3.78Å; Y76-F209 HydrophobicContact CG-CE1 4.33Å; Y76-F209 HydrophobicContact CG-CG 4.28Å; Y76-P210 VanDerWaalsContact CD1-CD 3.47Å; Y76-P210 HydrophobicContact CD1-CG 4.14Å; Y76-P210 HydrophobicContact CE1-CG 3.94Å
77C95.5Very high96.3Very high69 Ų6952.6 Ų52.647%0.46628%0.277SS..Hα-helixtrans-63.5-38.6177.960.90000112.8Q75 S81Q75-C77 PolarHBondContact O-N 3.41Å; Q75-C77 PolarHBondContact OE1-SG 3.32Å; C77-S81 WeakPolarHBondContact O-CB 3.41Å; C77-S81 PolarHBondContact O-N 3.37Å; C77-S81 PolarHBondContact O-OG 2.86Å
78D97Very high96.5Very high46 Ų4651.6 Ų51.625%0.24627%0.272CS..Hα-helixtrans-67-42.5173.3-83.3-56000111.2M74 Q75 Y76 S81 R82M74-D78 HydrophobicContact CG-CB 3.76Å; Q75-D78 HydrophobicContact CB-CB 4.49Å; Q75-D78 WeakPolarHBondContact O-CB 3.29Å; Q75-D78 PolarHBondContact O-N 3.32Å; Y76-D78 PolarHBondContact O-N 3.19Å; D78-S81 WeakPolarHBondContact CA-OG 3.4Å; D78-S81 PolarHBondContact O-N 3.35Å; D78-S81 PolarHBondContact O-OG 3.29Å; D78-R82 VanDerWaalsContact O-CB 3.25Å; D78-R82 WeakPolarHBondContact O-CB 3.32Å; D78-R82 VanDerWaalsContact O-CG 3.25Å; D78-R82 WeakPolarHBondContact O-CG 3.47Å; D78-R82 PolarHBondContact O-N 3.19Å; D78-R82 IonicContact OD1-CZ 3.13Å; D78-R82 IonicContact OD1-NE 3.33Å; D78-R82 PolarHBondContact OD1-NE 3.4Å; D78-R82 IonicContact OD1-NH2 3.77Å; D78-R82 PolarHBondContact OD1-NH2 2.94Å
79A97.8Very high96.8Very high0 Ų047.6 Ų47.60%024%0.243CC..Hα-helixtrans-62-47.9179.300000111.5M74 Q75 Y76 Y83 G84 S85 P88 I206M74-A79 HydrophobicContact CG-CB 4.22Å; M74-A79 WeakPolarHBondContact SD-CA 3.45Å; M74-A79 HydrophobicContact SD-CB 3.66Å; Q75-A79 PolarHBondContact O-N 3.04Å; Y76-A79 PolarHBondContact O-N 3.03Å; A79-Y83 WeakPolarHBondContact O-CA 3.17Å; A79-Y83 WeakPolarHBondContact O-CB 3.43Å; A79-Y83 PolarHBondContact O-N 3.44Å; A79-G84 PolarHBondContact O-N 3.38Å; A79-S85 CarbonylContact C-O 3.53Å; A79-S85 WeakPolarHBondContact CB-O 3.2Å; A79-P88 HydrophobicContact CB-CG 4.38Å; A79-I206 HydrophobicContact CB-CD1 3.79Å
80M97.3Very high97Very high8 Ų846.4 Ų46.44%0.03924%0.236CC..Hα-helixtrans-64.4-47.5176.1-70.4-56-59.600112.2Y76 R82 G84 E172 L175 K176Y76-M80 HydrophobicContact CD1-CG 4.24Å; Y76-M80 HydrophobicContact CD2-CG 4.14Å; Y76-M80 HydrophobicContact CE1-CG 3.77Å; Y76-M80 HydrophobicContact CE2-CG 3.7Å; Y76-M80 HydrophobicContact CE2-SD 4.1Å; Y76-M80 HydrophobicContact CG-CG 4.41Å; Y76-M80 VanDerWaalsContact CZ-CG 3.48Å; Y76-M80 WeakPolarHBondContact O-CB 3.46Å; Y76-M80 WeakPolarHBondContact O-CG 3.22Å; Y76-M80 PolarHBondContact O-N 3.41Å; M80-R82 VanDerWaalsContact C-N 3.35Å; M80-R82 PolarHBondContact O-N 3.29Å; M80-G84 VanDerWaalsContact O-CA 3.26Å; M80-G84 WeakPolarHBondContact O-CA 3.3Å; M80-G84 PolarHBondContact O-N 2.83Å; M80-E172 HydrophobicContact CE-CG 3.52Å; M80-L175 HydrophobicContact CB-CD1 4.42Å; M80-L175 HydrophobicContact CE-CB 4.17Å; M80-K176 HydrophobicContact CE-CD 4.45Å; M80-K176 HydrophobicContact CE-CG 3.79Å
81S96.5Very high96.9Very high49 Ų4944.1 Ų44.134%0.34321%0.214SC..Hα-helixtrans-70.3-27.8-176.160.10000113.9C77 D78 F96C77-S81 WeakPolarHBondContact O-CB 3.41Å; C77-S81 PolarHBondContact O-N 3.37Å; C77-S81 PolarHBondContact O-OG 2.86Å; D78-S81 WeakPolarHBondContact CA-OG 3.4Å; D78-S81 PolarHBondContact O-N 3.35Å; D78-S81 PolarHBondContact O-OG 3.29Å; S81-F96 VanDerWaalsContact O-CB 3.27Å; S81-F96 WeakPolarHBondContact O-CB 3.37Å
82R96.8Very high96.9Very high116 Ų11644.2 Ų44.244%0.43821%0.214SC..Hα-helixtrans-99.4-29.9-177.6-61.9178.7-165.6-153.37.3114.2D78 M80 F96D78-R82 VanDerWaalsContact O-CB 3.25Å; D78-R82 WeakPolarHBondContact O-CB 3.32Å; D78-R82 VanDerWaalsContact O-CG 3.25Å; D78-R82 WeakPolarHBondContact O-CG 3.47Å; D78-R82 PolarHBondContact O-N 3.19Å; D78-R82 IonicContact OD1-CZ 3.13Å; D78-R82 IonicContact OD1-NE 3.33Å; D78-R82 PolarHBondContact OD1-NE 3.4Å; D78-R82 IonicContact OD1-NH2 3.77Å; D78-R82 PolarHBondContact OD1-NH2 2.94Å; M80-R82 VanDerWaalsContact C-N 3.35Å; M80-R82 PolarHBondContact O-N 3.29Å; R82-F96 WeakPolarHBondContact O-CD1 3.46Å; R82-F96 WeakPolarHBondContact O-CG 3.44Å; R82-F96 PolarHBondContact O-N 3.27Å
83Y97.9Very high96.7Very high25 Ų2540.8 Ų40.810%0.09821%0.208CC..Hα-helixtrans-126-13.4-172.3-57.7-87.7000113.9M74 A79 S85 P88 V90 L95 F96 G179M74-Y83 HydrophobicContact CE-CD2 4.39Å; M74-Y83 HydrophobicContact CE-CE2 3.56Å; M74-Y83 HydrophobicContact SD-CD2 4.02Å; M74-Y83 HydrophobicContact SD-CE2 3.71Å; A79-Y83 WeakPolarHBondContact O-CA 3.17Å; A79-Y83 WeakPolarHBondContact O-CB 3.43Å; A79-Y83 PolarHBondContact O-N 3.44Å; Y83-S85 PolarHBondContact O-N 2.66Å; Y83-P88 HydrophobicContact CD1-CB 3.89Å; Y83-P88 HydrophobicContact CD2-CB 3.63Å; Y83-P88 HydrophobicContact CD2-CG 4.3Å; Y83-P88 HydrophobicContact CE1-CB 4.42Å; Y83-P88 HydrophobicContact CE2-CB 4.2Å; Y83-P88 HydrophobicContact CG-CB 3.46Å; Y83-P88 VanDerWaalsContact CG-CB 3.46Å; Y83-V90 HydrophobicContact CE1-CG1 4.21Å; Y83-L95 HydrophobicContact CD1-CD2 4.02Å; Y83-L95 HydrophobicContact CE1-CD2 3.33Å; Y83-L95 HydrophobicContact CE2-CD2 4.22Å; Y83-L95 VanDerWaalsContact CZ-CD2 3.45Å; Y83-F96 VanDerWaalsContact C-CE2 3.42Å; Y83-F96 VanDerWaalsContact C-CZ 3.5Å; Y83-F96 WeakPolarHBondContact O-CZ 3.26Å; Y83-G179 VanDerWaalsContact O-CA 3.25Å; Y83-G179 WeakPolarHBondContact O-CA 3.13Å
84G97.2Very high96.6Very high4 Ų436.2 Ų36.24%0.04119%0.191CC..SBendtrans6822.8-175.700000113.9A79 M80 F96 L175 K176A79-G84 PolarHBondContact O-N 3.38Å; M80-G84 VanDerWaalsContact O-CA 3.26Å; M80-G84 WeakPolarHBondContact O-CA 3.3Å; M80-G84 PolarHBondContact O-N 2.83Å; G84-F96 VanDerWaalsContact CA-CE2 3.5Å; G84-L175 WeakPolarHBondContact CA-O 3.47Å; G84-K176 WeakPolarHBondContact O-CA 3.49Å
85S96.7Very high96.6Very high27 Ų2739.3 Ų39.319%0.18921%0.208CC..SBendtrans-150.8139-175.3-176.20000110.3A79 Y83 K87A79-S85 CarbonylContact C-O 3.53Å; A79-S85 WeakPolarHBondContact CB-O 3.2Å; Y83-S85 PolarHBondContact O-N 2.66Å; S85-K87 PolarHBondContact O-N 3.08Å; S85-K87 VanDerWaalsContact OG-C 3.3Å; S85-K87 WeakPolarHBondContact OG-CG 3.21Å; S85-K87 PolarHBondContact OG-N 2.91Å; S85-K87 PolarHBondContact OG-O 2.84Å; S85-K87 VanDerWaalsContact OG-O 3.13Å
86D95.8Very high96.6Very high51 Ų5136.7 Ų36.727%0.27320%0.195SC..SBendtrans-77.1-3.9167.257.3-3.4000112.8Y76 I206 F209Y76-D86 HydrophobicContact CD2-CB 3.99Å; Y76-D86 HydrophobicContact CE2-CB 3.89Å; D86-I206 WeakPolarHBondContact O-CG1 3.43Å; D86-F209 HydrophobicContact CB-CE1 4.14Å
87K96.8Very high96.5Very high84 Ų8436.9 Ų36.937%0.36520%0.201SC..SBendtrans-130.870170.952.9-172.6172.6-1680109.8S85 D89 V253 G256 E258S85-K87 PolarHBondContact O-N 3.08Å; S85-K87 VanDerWaalsContact OG-C 3.3Å; S85-K87 WeakPolarHBondContact OG-CG 3.21Å; S85-K87 PolarHBondContact OG-N 2.91Å; S85-K87 PolarHBondContact OG-O 2.84Å; S85-K87 VanDerWaalsContact OG-O 3.13Å; K87-D89 PolarHBondContact O-N 3.07Å; K87-V253 HydrophobicContact CB-CG1 3.92Å; K87-V253 HydrophobicContact CB-CG2 3.91Å; K87-G256 WeakPolarHBondContact O-CA 3.29Å; K87-E258 HydrophobicContact CD-CB 4.36Å
88P97.3Very high96.5Very high1 Ų138.5 Ų38.51%0.00620%0.198CC..  trans-67135.1-173.528-34.6000110.9M74 A79 Y83 V90 L204 I206M74-P88 HydrophobicContact CE-CG 4.46Å; M74-P88 HydrophobicContact SD-CG 4.14Å; A79-P88 HydrophobicContact CB-CG 4.38Å; Y83-P88 HydrophobicContact CD1-CB 3.89Å; Y83-P88 HydrophobicContact CD2-CB 3.63Å; Y83-P88 HydrophobicContact CD2-CG 4.3Å; Y83-P88 HydrophobicContact CE1-CB 4.42Å; Y83-P88 HydrophobicContact CE2-CB 4.2Å; Y83-P88 HydrophobicContact CG-CB 3.46Å; Y83-P88 VanDerWaalsContact CG-CB 3.46Å; P88-V90 HydrophobicContact CB-CG1 4.24Å; P88-V90 HydrophobicContact CG-CG1 4.33Å; P88-V90 PolarHBondContact O-N 2.92Å; P88-L204 HydrophobicContact CG-CD1 3.95Å; P88-L204 HydrophobicContact CG-CD2 4.22Å; P88-I206 HydrophobicContact CG-CD1 4.01Å
89D97.2Very high96.4Very high10 Ų1036.3 Ų36.35%0.05319%0.186CC..  trans-83.7102.6164.4-170.3-5.9000108.8K87 R91 F92 R182K87-D89 PolarHBondContact O-N 3.07Å; D89-R91 VanDerWaalsContact C-N 3.33Å; D89-R91 VanDerWaalsContact OD1-CB 3.31Å; D89-R91 WeakPolarHBondContact OD1-CB 3.42Å; D89-R91 WeakPolarHBondContact OD1-CG 3.48Å; D89-R91 IonicContact OD1-CZ 2.81Å; D89-R91 PolarHBondContact OD1-N 3.26Å; D89-R91 IonicContact OD1-NE 2.7Å; D89-R91 PolarHBondContact OD1-NE 3.12Å; D89-R91 IonicContact OD1-NH2 3.41Å; D89-R91 IonicContact OD2-CZ 3.83Å; D89-R91 IonicContact OD2-NE 3.72Å; D89-R91 PolarHBondContact OD2-NE 3.26Å; D89-R91 IonicContact OD2-NH2 2.71Å; D89-R91 PolarHBondContact OD2-NH2 3.15Å; D89-F92 HydrophobicContact CB-CE1 3.83Å; D89-R182 PolarHBondContact O-NH1 3.1Å; D89-R182 PolarHBondContact O-NH2 3.4Å
90V96.7Very high96.1Very high28 Ų2840 Ų4017%0.1722%0.217CC..THydrogen-bonded Turntrans-88.12.2-176.2-61.40000113.7M74 Y83 P88 F92 H202 L204M74-V90 HydrophobicContact CE-CG1 4.42Å; Y83-V90 HydrophobicContact CE1-CG1 4.21Å; P88-V90 HydrophobicContact CB-CG1 4.24Å; P88-V90 HydrophobicContact CG-CG1 4.33Å; P88-V90 PolarHBondContact O-N 2.92Å; V90-F92 PolarHBondContact O-N 3.38Å; V90-F92 VanDerWaalsContact O-N 3.15Å; V90-H202 HydrophobicContact CG2-CB 3.68Å; V90-L204 HydrophobicContact CB-CD2 4.26Å; V90-L204 HydrophobicContact CG1-CD2 3.52Å; V90-L204 HydrophobicContact CG2-CD2 3.69Å
91R95.4Very high95.8Very high55 Ų5545.2 Ų45.221%0.20825%0.249CC..THydrogen-bonded Turntrans-67-10.9178.3-69179.9-67.51695.4113.9D89 Y197 E198 H202 N255D89-R91 VanDerWaalsContact C-N 3.33Å; D89-R91 VanDerWaalsContact OD1-CB 3.31Å; D89-R91 WeakPolarHBondContact OD1-CB 3.42Å; D89-R91 WeakPolarHBondContact OD1-CG 3.48Å; D89-R91 IonicContact OD1-CZ 2.81Å; D89-R91 PolarHBondContact OD1-N 3.26Å; D89-R91 IonicContact OD1-NE 2.7Å; D89-R91 PolarHBondContact OD1-NE 3.12Å; D89-R91 IonicContact OD1-NH2 3.41Å; D89-R91 IonicContact OD2-CZ 3.83Å; D89-R91 IonicContact OD2-NE 3.72Å; D89-R91 PolarHBondContact OD2-NE 3.26Å; D89-R91 IonicContact OD2-NH2 2.71Å; D89-R91 PolarHBondContact OD2-NH2 3.15Å; R91-Y197 HydrophobicContact CB-CD1 4.04Å; R91-E198 WeakPolarHBondContact O-CB 3.34Å; R91-E198 WeakPolarHBondContact O-CG 3.46Å; R91-E198 PolarHBondContact O-N 3.39Å; R91-H202 HydrophobicContact CG-CB 4.36Å; R91-H202 WeakPolarHBondContact CG-ND1 3.34Å; R91-N255 WeakPolarHBondContact CD-OD1 2.94Å
92F96.3Very high95.5Very high14 Ų1444.8 Ų44.86%0.06124%0.243CC..SBendtrans-146.8161.4-179.768.3-83.7000110.3D89 V90 F94 R182 V183 A186 I196 Y197D89-F92 HydrophobicContact CB-CE1 3.83Å; V90-F92 PolarHBondContact O-N 3.38Å; V90-F92 VanDerWaalsContact O-N 3.15Å; F92-F94 AromaticContact CD2-CD2 3.85Å; F92-F94 HydrophobicContact CD2-CD2 3.85Å; F92-F94 HydrophobicContact CD2-CE2 4.22Å; F92-F94 HydrophobicContact CD2-CG 4.27Å; F92-F94 AromaticContact CE2-CD2 3.81Å; F92-F94 HydrophobicContact CE2-CD2 3.81Å; F92-F94 HydrophobicContact CE2-CE2 4.39Å; F92-F94 HydrophobicContact CE2-CG 4.44Å; F92-R182 HydrophobicContact CE2-CG 3.65Å; F92-R182 HydrophobicContact CZ-CG 4.02Å; F92-R182 VanDerWaalsContact CZ-NH1 3.27Å; F92-R182 PolarHBondContact O-NH2 3.14Å; F92-V183 HydrophobicContact CZ-CG2 4.46Å; F92-A186 HydrophobicContact CD1-CB 4.3Å; F92-A186 HydrophobicContact CD2-CB 4Å; F92-A186 HydrophobicContact CE1-CB 3.89Å; F92-A186 HydrophobicContact CE2-CB 3.56Å; F92-A186 HydrophobicContact CG-CB 4.35Å; F92-A186 HydrophobicContact CZ-CB 3.49Å; F92-A186 VanDerWaalsContact CZ-CB 3.49Å; F92-I196 HydrophobicContact CB-CD1 4.45Å; F92-I196 HydrophobicContact CB-CG1 3.81Å; F92-I196 WeakPolarHBondContact CB-O 3.43Å; F92-I196 HydrophobicContact CD2-CD1 4.31Å; F92-I196 HydrophobicContact CG-CG1 4.31Å; F92-Y197 AromaticContact CD1-CD1 3.73Å; F92-Y197 HydrophobicContact CD1-CD1 3.73Å; F92-Y197 AromaticContact CD1-CE1 3.52Å; F92-Y197 HydrophobicContact CD1-CE1 3.52Å; F92-Y197 HydrophobicContact CE1-CD1 4.29Å; F92-Y197 AromaticContact CE1-CE1 3.64Å; F92-Y197 HydrophobicContact CE1-CE1 3.64Å; F92-Y197 HydrophobicContact CG-CE1 4.49Å
93G93.3Very high95.3Very high41 Ų4140.3 Ų40.342%0.42323%0.232SC..  trans-75-124.4-177.400000114R182G93-R182 PolarHBondContact O-NE 3.47Å; G93-R182 PolarHBondContact O-NH2 2.82Å
94F95.9Very high95.2Very high17 Ų1741 Ų418%0.07524%0.236CC..  trans61.346.9-175.6-51.8-13.4000112.1F92 F107 N108 I109 P110 Y113 R182 V185 I189 I196F92-F94 AromaticContact CD2-CD2 3.85Å; F92-F94 HydrophobicContact CD2-CD2 3.85Å; F92-F94 HydrophobicContact CD2-CE2 4.22Å; F92-F94 HydrophobicContact CD2-CG 4.27Å; F92-F94 AromaticContact CE2-CD2 3.81Å; F92-F94 HydrophobicContact CE2-CD2 3.81Å; F92-F94 HydrophobicContact CE2-CE2 4.39Å; F92-F94 HydrophobicContact CE2-CG 4.44Å; F94-F107 HydrophobicContact CB-CB 4.4Å; F94-F107 HydrophobicContact CB-CD2 3.68Å; F94-F107 HydrophobicContact CB-CE2 4.21Å; F94-F107 HydrophobicContact CB-CG 4.19Å; F94-F107 HydrophobicContact CD2-CD2 4.5Å; F94-F107 HydrophobicContact CD2-CE2 4.3Å; F94-F107 HydrophobicContact CG-CD2 4.13Å; F94-F107 HydrophobicContact CG-CE2 4.39Å; F94-N108 WeakPolarHBondContact CD1-O 3.42Å; F94-I109 HydrophobicContact CE2-CG1 4.48Å; F94-I109 HydrophobicContact CZ-CG2 4.13Å; F94-P110 VanDerWaalsContact CE1-CD 3.45Å; F94-P110 HydrophobicContact CE1-CG 4.46Å; F94-Y113 HydrophobicContact CE1-CD2 4.05Å; F94-Y113 HydrophobicContact CE1-CE2 4.17Å; F94-Y113 AromaticContact CZ-CD2 3.79Å; F94-Y113 HydrophobicContact CZ-CD2 3.79Å; F94-Y113 HydrophobicContact CZ-CE2 4.09Å; F94-R182 HydrophobicContact CB-CG 3.99Å; F94-R182 HydrophobicContact CD2-CG 4.46Å; F94-R182 WeakPolarHBondContact O-CD 3.32Å; F94-R182 PolarHBondContact O-NE 3.39Å; F94-V185 HydrophobicContact CE2-CG1 4.05Å; F94-I189 HydrophobicContact CE2-CD1 3.96Å; F94-I189 HydrophobicContact CZ-CD1 3.9Å; F94-I196 HydrophobicContact CE2-CD1 3.53Å; F94-I196 HydrophobicContact CZ-CD1 3.49Å; F94-I196 VanDerWaalsContact CZ-CD1 3.49Å
95L96.8Very high95.1Very high82 Ų8240.8 Ų40.843%0.42923%0.234SC..  trans-70.9145.2177.9-57.7-178.5000110.6Y83 F107Y83-L95 HydrophobicContact CD1-CD2 4.02Å; Y83-L95 HydrophobicContact CE1-CD2 3.33Å; Y83-L95 HydrophobicContact CE2-CD2 4.22Å; Y83-L95 VanDerWaalsContact CZ-CD2 3.45Å; L95-F107 WeakPolarHBondContact O-CB 3.28Å
96F97.3Very high95.1Very high14 Ų1439.5 Ų39.56%0.06123%0.225CC..  trans-79.3151.1-178.2-61.7-3.3000111.6S81 R82 Y83 G84 T105 G106 F107 L175 L178 R182S81-F96 VanDerWaalsContact O-CB 3.27Å; S81-F96 WeakPolarHBondContact O-CB 3.37Å; R82-F96 WeakPolarHBondContact O-CD1 3.46Å; R82-F96 WeakPolarHBondContact O-CG 3.44Å; R82-F96 PolarHBondContact O-N 3.27Å; Y83-F96 VanDerWaalsContact C-CE2 3.42Å; Y83-F96 VanDerWaalsContact C-CZ 3.5Å; Y83-F96 WeakPolarHBondContact O-CZ 3.26Å; G84-F96 VanDerWaalsContact CA-CE2 3.5Å; F96-T105 HydrophobicContact CB-CG2 3.98Å; F96-T105 HydrophobicContact CD2-CG2 4.22Å; F96-T105 HydrophobicContact CG-CG2 4.34Å; F96-G106 CarbonylContact C-O 3.45Å; F96-G106 VanDerWaalsContact CA-O 3.26Å; F96-G106 WeakPolarHBondContact CA-O 3.12Å; F96-F107 HydrophobicContact CD1-CB 3.95Å; F96-F107 AromaticContact CD1-CD1 3.87Å; F96-F107 HydrophobicContact CD1-CD1 3.87Å; F96-F107 HydrophobicContact CD1-CG 4.3Å; F96-F107 HydrophobicContact CE1-CB 4.4Å; F96-F107 AromaticContact CE1-CD1 3.55Å; F96-F107 HydrophobicContact CE1-CD1 3.55Å; F96-F107 HydrophobicContact CE1-CE1 4.16Å; F96-F107 HydrophobicContact CE1-CG 4.27Å; F96-L175 HydrophobicContact CD2-CD2 3.97Å; F96-L175 HydrophobicContact CE2-CD2 4.34Å; F96-L178 HydrophobicContact CD1-CD2 3.92Å; F96-L178 HydrophobicContact CD1-CG 4.36Å; F96-L178 HydrophobicContact CD2-CD2 3.81Å; F96-L178 HydrophobicContact CD2-CG 4.47Å; F96-L178 HydrophobicContact CE1-CD2 3.89Å; F96-L178 HydrophobicContact CE1-CG 3.83Å; F96-L178 HydrophobicContact CE2-CB 3.89Å; F96-L178 HydrophobicContact CE2-CD2 3.75Å; F96-L178 HydrophobicContact CE2-CG 3.93Å; F96-L178 HydrophobicContact CG-CD2 3.88Å; F96-L178 VanDerWaalsContact CZ-C 3.48Å; F96-L178 HydrophobicContact CZ-CB 3.8Å; F96-L178 HydrophobicContact CZ-CD2 3.81Å; F96-L178 HydrophobicContact CZ-CG 3.59Å; F96-R182 HydrophobicContact CE1-CB 4.16Å; F96-R182 HydrophobicContact CZ-CB 4.47Å
97S96.3Very high95.2Very high34 Ų3437.1 Ų37.124%0.23821%0.212CC..EExtended strand (participates in β ladder)trans-131.4136.8164.2-65.80000109.1T105 G106 L152S97-T105 WeakPolarHBondContact O-CA 3.49Å; S97-G106 PolarHBondContact N-O 3.39Å; S97-G106 PolarHBondContact O-N 2.93Å; S97-L152 VanDerWaalsContact O-CD1 3.24Å; S97-L152 WeakPolarHBondContact O-CD1 3.29Å
98Y95.2Very high95.2Very high103 Ų10334.2 Ų34.240%0.40420%0.201SC..EExtended strand (participates in β ladder)trans-108.6124.8177.1171.2-120.3000110.4A100 H104 T105 L155 N170Y98-A100 HydrophobicContact CE1-CB 3.99Å; Y98-H104 WeakPolarHBondContact CD2-O 3.49Å; Y98-T105 WeakPolarHBondContact CD2-OG1 3.46Å; Y98-L155 VanDerWaalsContact O-CD1 3.26Å; Y98-L155 WeakPolarHBondContact O-CD1 3.47Å; Y98-N170 HydrophobicContact CD1-CB 4.41Å; Y98-N170 HydrophobicContact CD2-CB 3.63Å; Y98-N170 HydrophobicContact CE1-CB 4.35Å; Y98-N170 HydrophobicContact CE2-CB 3.54Å; Y98-N170 HydrophobicContact CG-CB 4.06Å
99S94Very high95.1Very high0 Ų034.2 Ų34.20%020%0.201CC..EExtended strand (participates in β ladder)trans-96.5114.8168.3174.20000110.2V101 D102 G103 H104 D151S99-V101 PolarHBondContact O-N 3.01Å; S99-V101 PolarHBondContact OG-N 2.89Å; S99-D102 PolarHBondContact OG-N 2.87Å; S99-D102 PolarHBondContact OG-OD2 3.32Å; S99-G103 VanDerWaalsContact O-CA 3.3Å; S99-G103 WeakPolarHBondContact O-CA 3.33Å; S99-G103 PolarHBondContact O-N 2.83Å; S99-H104 PolarHBondContact N-O 3.37Å; S99-H104 PolarHBondContact O-N 2.67Å; S99-D151 VanDerWaalsContact CB-OD2 3.31Å; S99-D151 WeakPolarHBondContact CB-OD2 3.49Å; S99-D151 WeakPolarHBondContact OG-CB 3.05Å; S99-D151 PolarHBondContact OG-OD2 3.03Å
100A92.3Very high95Very high78 Ų7835.7 Ų35.765%0.64521%0.211SC*.THydrogen-bonded Turntrans-69.6-24.2171.400000112.7Y98Y98-A100 HydrophobicContact CE1-CB 3.99Å
101V91.3Very high94.8Very high116 Ų11636.5 Ų36.570%0.70322%0.218SC*.THydrogen-bonded Turntrans-73.5-47.2179179.10000110.3S99 D151S99-V101 PolarHBondContact O-N 3.01Å; S99-V101 PolarHBondContact OG-N 2.89Å; V101-D151 HydrophobicContact CB-CB 3.91Å; V101-D151 HydrophobicContact CG1-CB 4.32Å; V101-D151 HydrophobicContact CG2-CB 4.37Å
102D88.7Confident94.8Very high41 Ų4139.9 Ų39.922%0.21923%0.234CC..THydrogen-bonded Turntrans-84.8-22.6-179.1-57.7-33.7000112S99 H104 L150 D151 L152S99-D102 PolarHBondContact OG-N 2.87Å; S99-D102 PolarHBondContact OG-OD2 3.32Å; D102-H104 VanDerWaalsContact C-N 3.34Å; D102-H104 HydrophobicContact CB-CB 4.44Å; D102-H104 WeakPolarHBondContact CB-ND1 3.25Å; D102-H104 PolarHBondContact O-CE1 3.1Å; D102-H104 PolarHBondContact O-ND1 3.05Å; D102-L150 HydrophobicContact CB-CG 4.39Å; D102-L150 WeakPolarHBondContact OD2-CB 3.33Å; D102-L150 VanDerWaalsContact OD2-CG 3.26Å; D102-L150 WeakPolarHBondContact OD2-CG 3.32Å; D102-D151 WeakPolarHBondContact OD2-CA 3.48Å; D102-D151 PolarHBondContact OD2-N 2.9Å; D102-L152 PolarHBondContact OD2-N 3.31Å
103G93.6Very high94.7Very high21 Ų2140.5 Ų40.522%0.21624%0.236CC..THydrogen-bonded Turntrans7128.9-172.500000113S99 G169S99-G103 VanDerWaalsContact O-CA 3.3Å; S99-G103 WeakPolarHBondContact O-CA 3.33Å; S99-G103 PolarHBondContact O-N 2.83Å; G103-G169 PolarHBondContact O-N 3.15Å
104H94.9Very high94.7Very high40 Ų4039.1 Ų39.119%0.18522%0.22CC..EExtended strand (participates in β ladder)trans-123.2143-177.4-62.793.2000111.4Y98 S99 D102 L152 F166 I167Y98-H104 WeakPolarHBondContact CD2-O 3.49Å; S99-H104 PolarHBondContact N-O 3.37Å; S99-H104 PolarHBondContact O-N 2.67Å; D102-H104 VanDerWaalsContact C-N 3.34Å; D102-H104 HydrophobicContact CB-CB 4.44Å; D102-H104 WeakPolarHBondContact CB-ND1 3.25Å; D102-H104 PolarHBondContact O-CE1 3.1Å; D102-H104 PolarHBondContact O-ND1 3.05Å; H104-L152 HydrophobicContact CB-CD2 3.86Å; H104-F166 HydrophobicContact CB-CD2 4.24Å; H104-F166 AromaticContact CD2-CD2 3.58Å; H104-F166 AromaticContact CD2-CE2 3.69Å; H104-I167 VanDerWaalsContact CA-O 3.29Å; H104-I167 WeakPolarHBondContact CA-O 3.26Å
105T96.5Very high94.4Very high0 Ų042.6 Ų42.60%025%0.247CC..EExtended strand (participates in β ladder)trans-113.8136.8169.1-57.60000108.6F96 S97 Y98 F166 I167 G169 N170 L175 L178F96-T105 HydrophobicContact CB-CG2 3.98Å; F96-T105 HydrophobicContact CD2-CG2 4.22Å; F96-T105 HydrophobicContact CG-CG2 4.34Å; S97-T105 WeakPolarHBondContact O-CA 3.49Å; Y98-T105 WeakPolarHBondContact CD2-OG1 3.46Å; T105-F166 CarbonylContact O-C 3.54Å; T105-F166 VanDerWaalsContact O-CA 3.26Å; T105-F166 WeakPolarHBondContact O-CA 3.45Å; T105-F166 WeakPolarHBondContact O-CB 3.26Å; T105-I167 PolarHBondContact N-O 3.48Å; T105-I167 PolarHBondContact O-N 2.93Å; T105-G169 PolarHBondContact OG1-O 3.15Å; T105-N170 PolarHBondContact OG1-OD1 2.71Å; T105-N170 VanDerWaalsContact OG1-OD1 3.05Å; T105-L175 HydrophobicContact CG2-CD2 4.01Å; T105-L178 HydrophobicContact CG2-CD2 3.77Å
106G96.7Very high94.2Very high0 Ų042.4 Ų42.40%025%0.246CC..EExtended strand (participates in β ladder)trans-155.6177.1-18000000113.7F96 S97 L156 V165F96-G106 CarbonylContact C-O 3.45Å; F96-G106 VanDerWaalsContact CA-O 3.26Å; F96-G106 WeakPolarHBondContact CA-O 3.12Å; S97-G106 PolarHBondContact N-O 3.39Å; S97-G106 PolarHBondContact O-N 2.93Å; G106-L156 WeakPolarHBondContact O-CD2 3.49Å; G106-V165 CarbonylContact C-O 3.59Å; G106-V165 WeakPolarHBondContact CA-O 3.24Å
107F97.4Very high94Very high0 Ų042.8 Ų42.80%025%0.249CC..EExtended strand (participates in β ladder)trans-142.8159.8173.264.4-94.9000111.6F94 L95 F96 I109 V165 L178 R182F94-F107 HydrophobicContact CB-CB 4.4Å; F94-F107 HydrophobicContact CB-CD2 3.68Å; F94-F107 HydrophobicContact CB-CE2 4.21Å; F94-F107 HydrophobicContact CB-CG 4.19Å; F94-F107 HydrophobicContact CD2-CD2 4.5Å; F94-F107 HydrophobicContact CD2-CE2 4.3Å; F94-F107 HydrophobicContact CG-CD2 4.13Å; F94-F107 HydrophobicContact CG-CE2 4.39Å; L95-F107 WeakPolarHBondContact O-CB 3.28Å; F96-F107 HydrophobicContact CD1-CB 3.95Å; F96-F107 AromaticContact CD1-CD1 3.87Å; F96-F107 HydrophobicContact CD1-CD1 3.87Å; F96-F107 HydrophobicContact CD1-CG 4.3Å; F96-F107 HydrophobicContact CE1-CB 4.4Å; F96-F107 AromaticContact CE1-CD1 3.55Å; F96-F107 HydrophobicContact CE1-CD1 3.55Å; F96-F107 HydrophobicContact CE1-CE1 4.16Å; F96-F107 HydrophobicContact CE1-CG 4.27Å; F107-I109 HydrophobicContact CD2-CG1 4.17Å; F107-I109 HydrophobicContact CE2-CD1 4.11Å; F107-I109 HydrophobicContact CE2-CG1 3.75Å; F107-V165 HydrophobicContact CD1-CB 4.28Å; F107-V165 HydrophobicContact CD2-CB 4.4Å; F107-V165 HydrophobicContact CE1-CB 3.79Å; F107-V165 HydrophobicContact CE1-CG1 3.89Å; F107-V165 HydrophobicContact CE1-CG2 4.5Å; F107-V165 HydrophobicContact CE2-CB 3.91Å; F107-V165 HydrophobicContact CE2-CG2 3.84Å; F107-V165 HydrophobicContact CZ-CB 3.58Å; F107-V165 HydrophobicContact CZ-CG1 3.87Å; F107-V165 HydrophobicContact CZ-CG2 3.8Å; F107-V165 PolarHBondContact N-O 2.8Å; F107-V165 PolarHBondContact O-N 2.82Å; F107-L178 HydrophobicContact CD1-CD1 3.79Å; F107-L178 HydrophobicContact CD1-CD2 4.17Å; F107-L178 HydrophobicContact CD1-CG 3.81Å; F107-L178 HydrophobicContact CE1-CD1 3.59Å; F107-L178 HydrophobicContact CE1-CG 3.84Å; F107-R182 HydrophobicContact CE1-CB 3.98Å; F107-R182 HydrophobicContact CZ-CB 4.05Å
108N95.7Very high93.8Very high24 Ų2443.6 Ų43.613%0.12825%0.254CS..EExtended strand (participates in β ladder)trans-98.7141.3176.5-64.4-15.6000111.9F94 L156 P158 L163F94-N108 WeakPolarHBondContact CD1-O 3.42Å; N108-L156 PolarHBondContact ND2-O 2.95Å; N108-L156 WeakPolarHBondContact OD1-CB 3.03Å; N108-L156 WeakPolarHBondContact OD1-CD1 3.39Å; N108-P158 VanDerWaalsContact ND2-CA 3.28Å; N108-P158 WeakPolarHBondContact ND2-CA 3.42Å; N108-P158 WeakPolarHBondContact ND2-CB 3.19Å; N108-L163 CarbonylContact C-O 3.48Å; N108-L163 WeakPolarHBondContact CA-O 3.33Å
109I96.1Very high93.7Very high0 Ų042 Ų420%026%0.263CS..EExtended strand (participates in β ladder)trans-109.1110.8164.8-54.8163.1000106.9F94 F107 D162 L163 V165 V185 I189F94-I109 HydrophobicContact CE2-CG1 4.48Å; F94-I109 HydrophobicContact CZ-CG2 4.13Å; F107-I109 HydrophobicContact CD2-CG1 4.17Å; F107-I109 HydrophobicContact CE2-CD1 4.11Å; F107-I109 HydrophobicContact CE2-CG1 3.75Å; I109-D162 WeakPolarHBondContact O-CA 3.27Å; I109-L163 HydrophobicContact CB-CB 4.16Å; I109-L163 HydrophobicContact CD1-CB 4.2Å; I109-L163 PolarHBondContact N-O 2.95Å; I109-L163 PolarHBondContact O-N 3.42Å; I109-V165 HydrophobicContact CD1-CG2 3.63Å; I109-V165 HydrophobicContact CG1-CG2 4.4Å; I109-V185 HydrophobicContact CD1-CG1 3.61Å; I109-V185 HydrophobicContact CD1-CG2 4.2Å; I109-V185 HydrophobicContact CG1-CG1 4.09Å; I109-I189 HydrophobicContact CG2-CD1 4.21Å
110P95.2Very high93.6Very high41 Ų4149.2 Ų49.227%0.26630%0.296SS..  trans-55.7148179.7-29.436.9000114F94 K112 Y113 S114 D162F94-P110 VanDerWaalsContact CE1-CD 3.45Å; F94-P110 HydrophobicContact CE1-CG 4.46Å; P110-K112 HydrophobicContact CB-CG 3.94Å; P110-K112 PolarHBondContact O-N 3.16Å; P110-K112 VanDerWaalsContact O-N 3.08Å; P110-Y113 HydrophobicContact CB-CD2 4.41Å; P110-Y113 HydrophobicContact CG-CD2 4.44Å; P110-Y113 PolarHBondContact O-N 3.18Å; P110-S114 PolarHBondContact O-N 3.31Å; P110-D162 VanDerWaalsContact CA-OD1 3.29Å; P110-D162 WeakPolarHBondContact CA-OD1 3.44Å
111S93.3Very high93.7Very high45 Ų4546.7 Ų46.732%0.31527%0.272SS..Hα-helixtrans-48.7-36.1179.161.20000114.7Y113 S114 S115 D162S111-Y113 PolarHBondContact O-N 3.21Å; S111-S114 WeakPolarHBondContact CA-OG 3.34Å; S111-S114 PolarHBondContact O-OG 2.78Å; S111-S115 VanDerWaalsContact O-CB 3.32Å; S111-S115 WeakPolarHBondContact O-CB 3.24Å; S111-S115 PolarHBondContact O-N 2.94Å; S111-S115 VanDerWaalsContact O-N 3.13Å; S111-S115 PolarHBondContact O-OG 2.76Å; S111-D162 PolarHBondContact N-OD1 2.88Å
112K93.8Very high93.9Very high126 Ų12642.5 Ų42.555%0.54825%0.245SC..Hα-helixtrans-58.6-25.9175.359.8165173.6166.40114.1P110P110-K112 HydrophobicContact CB-CG 3.94Å; P110-K112 PolarHBondContact O-N 3.16Å; P110-K112 VanDerWaalsContact O-N 3.08Å
113Y95.3Very high94.1Very high27 Ų2745 Ų4511%0.10626%0.259CS..Hα-helixtrans-102.6-45.4177.1-57.2-48.7000111.4F94 P110 S111 S115 N116 I189 L194 I196F94-Y113 HydrophobicContact CE1-CD2 4.05Å; F94-Y113 HydrophobicContact CE1-CE2 4.17Å; F94-Y113 AromaticContact CZ-CD2 3.79Å; F94-Y113 HydrophobicContact CZ-CD2 3.79Å; F94-Y113 HydrophobicContact CZ-CE2 4.09Å; P110-Y113 HydrophobicContact CB-CD2 4.41Å; P110-Y113 HydrophobicContact CG-CD2 4.44Å; P110-Y113 PolarHBondContact O-N 3.18Å; S111-Y113 PolarHBondContact O-N 3.21Å; Y113-S115 PolarHBondContact O-N 2.86Å; Y113-N116 PolarHBondContact O-N 3.14Å; Y113-I189 HydrophobicContact CD1-CG2 3.65Å; Y113-I189 HydrophobicContact CD2-CD1 4.35Å; Y113-I189 HydrophobicContact CE1-CG2 4.21Å; Y113-I189 HydrophobicContact CG-CD1 4.03Å; Y113-I189 HydrophobicContact CG-CG2 4.08Å; Y113-L194 HydrophobicContact CD1-CB 4.39Å; Y113-L194 HydrophobicContact CD1-CD1 4.14Å; Y113-I196 HydrophobicContact CE2-CD1 4.37Å; Y113-I196 HydrophobicContact CE2-CG1 4.43Å
114S91.9Very high94.2Very high13 Ų1347.6 Ų47.69%0.09127%0.273CS..Hα-helixtrans-59.5-32.3-177620000113.3P110 S111 N116 L117 G161 L163P110-S114 PolarHBondContact O-N 3.31Å; S111-S114 WeakPolarHBondContact CA-OG 3.34Å; S111-S114 PolarHBondContact O-OG 2.78Å; S114-N116 PolarHBondContact O-N 3.43Å; S114-N116 VanDerWaalsContact O-N 3.12Å; S114-L117 PolarHBondContact O-N 3.28Å; S114-G161 PolarHBondContact OG-O 3.45Å; S114-L163 VanDerWaalsContact CB-CG 3.48Å
115S90.9Very high94.2Very high90 Ų9046 Ų4663%0.62927%0.267SS*.THydrogen-bonded Turntrans-59.7-19.7176.8490000114.6S111 Y113S111-S115 VanDerWaalsContact O-CB 3.32Å; S111-S115 WeakPolarHBondContact O-CB 3.24Å; S111-S115 PolarHBondContact O-N 2.94Å; S111-S115 VanDerWaalsContact O-N 3.13Å; S111-S115 PolarHBondContact O-OG 2.76Å; Y113-S115 PolarHBondContact O-N 2.86Å
116N92Very high94.1Very high78 Ų7849 Ų4942%0.41728%0.28SS..THydrogen-bonded Turntrans-100.70.6178.2-68-91.7000113Y113 S114 L194Y113-N116 PolarHBondContact O-N 3.14Å; S114-N116 PolarHBondContact O-N 3.43Å; S114-N116 VanDerWaalsContact O-N 3.12Å; N116-L194 HydrophobicContact CB-CD1 3.81Å
117L92.8Very high94.1Very high22 Ų2253.8 Ų53.812%0.11531%0.306CS..  trans-96.3123.8176.8-59.7179.2000109.4S114 L122 L163 L188 I189S114-L117 PolarHBondContact O-N 3.28Å; L117-L122 HydrophobicContact CB-CD2 4.28Å; L117-L122 HydrophobicContact CD1-CD2 4.2Å; L117-L163 HydrophobicContact CD1-CD1 4.11Å; L117-L188 HydrophobicContact CD2-CD2 3.98Å; L117-L188 HydrophobicContact CD2-CG 3.97Å; L117-I189 HydrophobicContact CD1-CG1 4.49Å; L117-I189 HydrophobicContact CD2-CG1 4.24Å
118S92.7Very high94Very high50 Ų5055.9 Ų55.935%0.3532%0.317SS..  trans-79.5166175670000111.8E120 D121 L122S118-E120 VanDerWaalsContact C-N 3.25Å; S118-E120 PolarHBondContact O-N 3.1Å; S118-D121 WeakPolarHBondContact CB-OD2 3.34Å; S118-D121 PolarHBondContact N-OD2 2.85Å; S118-D121 WeakPolarHBondContact O-CB 3.38Å; S118-D121 PolarHBondContact O-N 3.25Å; S118-D121 PolarHBondContact OG-N 3.05Å; S118-D121 VanDerWaalsContact OG-N 3.15Å; S118-D121 PolarHBondContact OG-OD2 3.24Å; S118-L122 WeakPolarHBondContact O-CG 3.06Å; S118-L122 PolarHBondContact O-N 2.69Å
119A91.9Very high94Very high71 Ų7154.8 Ų54.859%0.58731%0.311SS*.Hα-helixtrans-59.7-38.817200000111.8D121 L122 D123A119-D121 VanDerWaalsContact C-N 3.31Å; A119-D121 PolarHBondContact O-N 2.7Å; A119-L122 PolarHBondContact O-N 2.93Å; A119-L122 VanDerWaalsContact O-N 3.14Å; A119-D123 PolarHBondContact O-N 2.96Å
120E93.8Very high94Very high151 Ų15158.9 Ų58.971%0.70633%0.329SS*.Hα-helixtrans-63-36.9177.1-63.4176.7-175.400112.5S118 L122 S124S118-E120 VanDerWaalsContact C-N 3.25Å; S118-E120 PolarHBondContact O-N 3.1Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-S124 VanDerWaalsContact O-CB 3.24Å; E120-S124 WeakPolarHBondContact O-CB 3.31Å; E120-S124 PolarHBondContact O-N 3.35Å; E120-S124 PolarHBondContact O-OG 2.98Å
121D94Very high94.1Very high24 Ų2465.5 Ų65.513%0.12835%0.349CS..Hα-helixtrans-62-41.5174.7-73.3-49.3000110.9S118 A119 L125 L188 K192S118-D121 WeakPolarHBondContact CB-OD2 3.34Å; S118-D121 PolarHBondContact N-OD2 2.85Å; S118-D121 WeakPolarHBondContact O-CB 3.38Å; S118-D121 PolarHBondContact O-N 3.25Å; S118-D121 PolarHBondContact OG-N 3.05Å; S118-D121 VanDerWaalsContact OG-N 3.15Å; S118-D121 PolarHBondContact OG-OD2 3.24Å; A119-D121 VanDerWaalsContact C-N 3.31Å; A119-D121 PolarHBondContact O-N 2.7Å; D121-L125 PolarHBondContact O-N 3.31Å; D121-L125 VanDerWaalsContact O-N 3.16Å; D121-L188 HydrophobicContact CB-CD2 3.73Å; D121-K192 IonicContact OD1-NZ 3.03Å; D121-K192 PolarHBondContact OD1-NZ 3.35Å; D121-K192 IonicContact OD2-NZ 2.92Å; D121-K192 PolarHBondContact OD2-NZ 2.93Å
122L93.8Very high94Very high28 Ų2868.5 Ų68.515%0.14736%0.361CS..Hα-helixtrans-72-44.9179.4-59.2-178.4000111.8L117 S118 A119 E120 S124 L125 E126 I139 L163L117-L122 HydrophobicContact CB-CD2 4.28Å; L117-L122 HydrophobicContact CD1-CD2 4.2Å; S118-L122 WeakPolarHBondContact O-CG 3.06Å; S118-L122 PolarHBondContact O-N 2.69Å; A119-L122 PolarHBondContact O-N 2.93Å; A119-L122 VanDerWaalsContact O-N 3.14Å; E120-L122 VanDerWaalsContact C-N 3.33Å; L122-S124 VanDerWaalsContact C-N 3.3Å; L122-S124 PolarHBondContact O-N 3.42Å; L122-L125 WeakPolarHBondContact O-CB 3.35Å; L122-L125 PolarHBondContact O-N 3.37Å; L122-L125 VanDerWaalsContact O-N 3.14Å; L122-E126 PolarHBondContact O-N 3.12Å; L122-I139 HydrophobicContact CB-CD1 4.22Å; L122-I139 HydrophobicContact CD1-CG2 4.19Å; L122-I139 HydrophobicContact CD2-CD1 4.34Å; L122-I139 HydrophobicContact CD2-CG2 4.34Å; L122-L163 HydrophobicContact CD1-CD1 4.07Å; L122-L163 HydrophobicContact CD1-CD2 4.13Å; L122-L163 HydrophobicContact CD2-CD1 3.93Å
123D94.5Very high94Very high95 Ų9564.4 Ų64.451%0.50835%0.347SS..Hα-helixtrans-60.4-42.7176.4-68.8-20.8000110.9A119 L125 E126 D127A119-D123 PolarHBondContact O-N 2.96Å; D123-L125 VanDerWaalsContact C-N 3.28Å; D123-L125 PolarHBondContact O-N 3.34Å; D123-E126 PolarHBondContact O-N 3.34Å; D123-D127 PolarHBondContact O-N 3.14Å
124S94.8Very high93.9Very high74 Ų7465.3 Ų65.352%0.51736%0.364SS..Hα-helixtrans-61.5-36.5176.7-63.20000112.5E120 L122 L128E120-S124 VanDerWaalsContact O-CB 3.24Å; E120-S124 WeakPolarHBondContact O-CB 3.31Å; E120-S124 PolarHBondContact O-N 3.35Å; E120-S124 PolarHBondContact O-OG 2.98Å; L122-S124 VanDerWaalsContact C-N 3.3Å; L122-S124 PolarHBondContact O-N 3.42Å; S124-L128 VanDerWaalsContact O-CB 3.23Å; S124-L128 WeakPolarHBondContact O-CB 3.24Å; S124-L128 PolarHBondContact O-N 2.65Å
125L95Very high94.1Very high8 Ų867.3 Ų67.34%0.04237%0.372CS..Hα-helixtrans-67.4-47.4176.2178.374000111.4D121 L122 D123 D127 L128 V129 I137 I139 E184 V185D121-L125 PolarHBondContact O-N 3.31Å; D121-L125 VanDerWaalsContact O-N 3.16Å; L122-L125 WeakPolarHBondContact O-CB 3.35Å; L122-L125 PolarHBondContact O-N 3.37Å; L122-L125 VanDerWaalsContact O-N 3.14Å; D123-L125 VanDerWaalsContact C-N 3.28Å; D123-L125 PolarHBondContact O-N 3.34Å; L125-D127 VanDerWaalsContact C-N 3.32Å; L125-D127 PolarHBondContact O-N 2.92Å; L125-L128 PolarHBondContact O-N 3.37Å; L125-V129 HydrophobicContact CD1-CG2 4.42Å; L125-V129 WeakPolarHBondContact O-CG2 3.42Å; L125-V129 PolarHBondContact O-N 3.18Å; L125-I137 HydrophobicContact CD2-CD1 4.28Å; L125-I137 HydrophobicContact CG-CD1 4.2Å; L125-I139 HydrophobicContact CD2-CD1 3.8Å; L125-E184 HydrophobicContact CD1-CB 3.71Å; L125-V185 HydrophobicContact CD1-CG2 3.96Å; L125-V185 HydrophobicContact CD2-CG2 3.2Å; L125-V185 HydrophobicContact CG-CG2 4.21Å
126E95.4Very high94.3Very high62 Ų6271.9 Ų71.929%0.2938%0.375SS..Hα-helixtrans-58.3-46177.5-63.9-163.4169.300111L122 D123 V129 F130 I137 I139L122-E126 PolarHBondContact O-N 3.12Å; D123-E126 PolarHBondContact O-N 3.34Å; E126-V129 PolarHBondContact O-N 3.48Å; E126-F130 WeakPolarHBondContact O-CB 3.45Å; E126-F130 PolarHBondContact O-N 2.97Å; E126-I137 HydrophobicContact CB-CG1 4.4Å; E126-I137 HydrophobicContact CG-CD1 4.31Å; E126-I137 HydrophobicContact CG-CG1 4.07Å; E126-I139 HydrophobicContact CG-CD1 3.68Å; E126-I139 HydrophobicContact CG-CG1 4.15Å; E126-I139 WeakPolarHBondContact OE1-CG1 3.46Å; E126-I139 PolarHBondContact OE1-N 3.33Å
127D96Very high94.5Very high100 Ų10068.4 Ų68.454%0.53536%0.357SS..Hα-helixtrans-64.6-40.2178.2-85.4-14000113D123 L125 R131D123-D127 PolarHBondContact O-N 3.14Å; L125-D127 VanDerWaalsContact C-N 3.32Å; L125-D127 PolarHBondContact O-N 2.92Å; D127-R131 WeakPolarHBondContact O-CB 3.3Å; D127-R131 PolarHBondContact O-N 2.81Å
128L95.3Very high94.6Very high45 Ų4569.9 Ų69.924%0.23637%0.369CS..Hα-helixtrans-63.6-48.6178178.764.7000111S124 L125 R131 L132 E184S124-L128 VanDerWaalsContact O-CB 3.23Å; S124-L128 WeakPolarHBondContact O-CB 3.24Å; S124-L128 PolarHBondContact O-N 2.65Å; L125-L128 PolarHBondContact O-N 3.37Å; L128-R131 PolarHBondContact O-N 2.96Å; L128-L132 HydrophobicContact CD1-CD1 3.72Å; L128-L132 HydrophobicContact CD1-CG 4.2Å; L128-L132 HydrophobicContact CG-CD1 4.1Å; L128-L132 WeakPolarHBondContact O-CG 3.24Å; L128-L132 PolarHBondContact O-N 2.85Å; L128-E184 HydrophobicContact CD2-CB 4.37Å; L128-E184 HydrophobicContact CD2-CG 3.88Å
129V95.8Very high94.7Very high0 Ų068.9 Ų68.90%036%0.359CS..Hα-helixtrans-63.3-44.8179.9174.60000110.2L125 E126 R131 L132 T133 I137 A177 A181L125-V129 HydrophobicContact CD1-CG2 4.42Å; L125-V129 WeakPolarHBondContact O-CG2 3.42Å; L125-V129 PolarHBondContact O-N 3.18Å; E126-V129 PolarHBondContact O-N 3.48Å; V129-R131 PolarHBondContact O-N 3.28Å; V129-L132 PolarHBondContact O-N 3.26Å; V129-T133 WeakPolarHBondContact O-CB 3.47Å; V129-T133 PolarHBondContact O-N 3.08Å; V129-T133 PolarHBondContact O-OG1 3.1Å; V129-I137 HydrophobicContact CB-CD1 4.31Å; V129-I137 HydrophobicContact CB-CG1 4.47Å; V129-I137 HydrophobicContact CG1-CG2 3.95Å; V129-I137 HydrophobicContact CG2-CD1 4.08Å; V129-A177 HydrophobicContact CG1-CB 4.2Å; V129-A181 HydrophobicContact CG2-CB 3.84Å
130F96.7Very high94.7Very high87 Ų8769 Ų6938%0.38235%0.346SS..Hα-helixtrans-61.4-43.6176.9-178-109.9000112.2E126 L132 G134 Q135 R136E126-F130 WeakPolarHBondContact O-CB 3.45Å; E126-F130 PolarHBondContact O-N 2.97Å; F130-L132 PolarHBondContact O-N 3.35Å; F130-G134 WeakPolarHBondContact CE2-O 3.49Å; F130-G134 WeakPolarHBondContact O-CA 3.43Å; F130-G134 PolarHBondContact O-N 3.15Å; F130-Q135 VanDerWaalsContact CA-O 3.29Å; F130-Q135 WeakPolarHBondContact CA-O 3.25Å; F130-R136 HydrophobicContact CD2-CG 3.51Å; F130-R136 HydrophobicContact CE2-CG 3.86Å; F130-R136 HydrophobicContact CG-CG 4.35Å
131R95.6Very high94.5Very high179 Ų17965.4 Ų65.468%0.67534%0.335SS*.Hα-helixtrans-62.7-40.5179.3-171.8-170.2-44.8163.19.4112.9D127 L128 V129D127-R131 WeakPolarHBondContact O-CB 3.3Å; D127-R131 PolarHBondContact O-N 2.81Å; L128-R131 PolarHBondContact O-N 2.96Å; V129-R131 PolarHBondContact O-N 3.28Å
132L92.8Very high94.3Very high108 Ų10864.6 Ų64.657%0.56533%0.331SS*.Hα-helixtrans-86.4-27.4-174.4-66.7179.1000113.4L128 V129 F130 M180L128-L132 HydrophobicContact CD1-CD1 3.72Å; L128-L132 HydrophobicContact CD1-CG 4.2Å; L128-L132 HydrophobicContact CG-CD1 4.1Å; L128-L132 WeakPolarHBondContact O-CG 3.24Å; L128-L132 PolarHBondContact O-N 2.85Å; V129-L132 PolarHBondContact O-N 3.26Å; F130-L132 PolarHBondContact O-N 3.35Å; L132-M180 HydrophobicContact CB-CE 3.92Å; L132-M180 HydrophobicContact CB-SD 3.73Å; L132-M180 HydrophobicContact CD1-CE 4.18Å; L132-M180 HydrophobicContact CD1-SD 3.65Å; L132-M180 HydrophobicContact CG-SD 4.33Å
133T92.4Very high93.8Very high41 Ų4170.2 Ų70.225%0.25236%0.357SS..Hα-helixtrans-120.1-15.7-171.471.20000114.1V129 Q135 A177 M180V129-T133 WeakPolarHBondContact O-CB 3.47Å; V129-T133 PolarHBondContact O-N 3.08Å; V129-T133 PolarHBondContact O-OG1 3.1Å; T133-Q135 PolarHBondContact O-N 3.28Å; T133-Q135 WeakPolarHBondContact OG1-CB 3.4Å; T133-Q135 PolarHBondContact OG1-N 2.83Å; T133-Q135 VanDerWaalsContact OG1-N 3.15Å; T133-A177 HydrophobicContact CG2-CB 4.15Å; T133-M180 HydrophobicContact CG2-CE 3.55Å; T133-M180 HydrophobicContact CG2-SD 3.74Å
134G94Very high92.7Very high46 Ų4671.5 Ų71.547%0.47436%0.364SS..SBendtrans71.9-0.5-170.100000114.2F130F130-G134 WeakPolarHBondContact CE2-O 3.49Å; F130-G134 WeakPolarHBondContact O-CA 3.43Å; F130-G134 PolarHBondContact O-N 3.15Å
135Q95.2Very high91.3Very high54 Ų5473 Ų7325%0.25237%0.365SS..PPolyproline II helixtrans-97.9141.5-177.7-60.2-55.9-40.700111.5F130 T133 I167 I173 A177F130-Q135 VanDerWaalsContact CA-O 3.29Å; F130-Q135 WeakPolarHBondContact CA-O 3.25Å; T133-Q135 PolarHBondContact O-N 3.28Å; T133-Q135 WeakPolarHBondContact OG1-CB 3.4Å; T133-Q135 PolarHBondContact OG1-N 2.83Å; T133-Q135 VanDerWaalsContact OG1-N 3.15Å; Q135-I167 HydrophobicContact CB-CD1 3.85Å; Q135-I167 HydrophobicContact CG-CD1 4.44Å; Q135-I173 HydrophobicContact CG-CG2 3.89Å; Q135-A177 HydrophobicContact CB-CB 3.65Å; Q135-A177 HydrophobicContact CG-CB 3.88Å
136R95.1Very high89.7Confident186 Ų18679.4 Ų79.470%0.70239%0.392SS*.PPolyproline II helixtrans-98.5121.1175.3-69.6-173.7174.4-126.7-2.5109.9F130F130-R136 HydrophobicContact CD2-CG 3.51Å; F130-R136 HydrophobicContact CE2-CG 3.86Å; F130-R136 HydrophobicContact CG-CG 4.35Å
137I96.4Very high87.7Confident5 Ų581.5 Ų81.53%0.02641%0.413CS..PPolyproline II helixtrans-88.8167.116660168.5000109.4L125 E126 V129 I139 V165 F166 I167 A181L125-I137 HydrophobicContact CD2-CD1 4.28Å; L125-I137 HydrophobicContact CG-CD1 4.2Å; E126-I137 HydrophobicContact CB-CG1 4.4Å; E126-I137 HydrophobicContact CG-CD1 4.31Å; E126-I137 HydrophobicContact CG-CG1 4.07Å; V129-I137 HydrophobicContact CB-CD1 4.31Å; V129-I137 HydrophobicContact CB-CG1 4.47Å; V129-I137 HydrophobicContact CG1-CG2 3.95Å; V129-I137 HydrophobicContact CG2-CD1 4.08Å; I137-I139 HydrophobicContact CD1-CD1 4.29Å; I137-I139 HydrophobicContact CD1-CG1 4.47Å; I137-V165 HydrophobicContact CB-CG1 4.43Å; I137-V165 HydrophobicContact CD1-CG1 4.02Å; I137-F166 CarbonylContact C-O 3.56Å; I137-F166 WeakPolarHBondContact CA-O 3.45Å; I137-I167 HydrophobicContact CG2-CB 4.46Å; I137-I167 HydrophobicContact CG2-CD1 4.38Å; I137-A181 HydrophobicContact CD1-CB 3.94Å
138S95.2Very high85.6Confident53 Ų5384.2 Ų84.237%0.37143%0.428SS..EExtended strand (participates in β ladder)trans-135.1138.8173.8-65.20000109.5V165 F166S138-V165 WeakPolarHBondContact O-CA 3.22Å; S138-F166 VanDerWaalsContact CB-CE1 3.42Å; S138-F166 VanDerWaalsContact CB-CZ 3.43Å; S138-F166 PolarHBondContact N-O 2.79Å; S138-F166 WeakPolarHBondContact O-CD1 3.36Å; S138-F166 PolarHBondContact O-N 3.24Å
139I94.7Very high84.2Confident30 Ų3086.8 Ų86.815%0.15444%0.439CS..EExtended strand (participates in β ladder)trans-125134.8-175.9-50.4173.5000109.4L122 L125 E126 I137 L163 V164 V165L122-I139 HydrophobicContact CB-CD1 4.22Å; L122-I139 HydrophobicContact CD1-CG2 4.19Å; L122-I139 HydrophobicContact CD2-CD1 4.34Å; L122-I139 HydrophobicContact CD2-CG2 4.34Å; L125-I139 HydrophobicContact CD2-CD1 3.8Å; E126-I139 HydrophobicContact CG-CD1 3.68Å; E126-I139 HydrophobicContact CG-CG1 4.15Å; E126-I139 WeakPolarHBondContact OE1-CG1 3.46Å; E126-I139 PolarHBondContact OE1-N 3.33Å; I137-I139 HydrophobicContact CD1-CD1 4.29Å; I137-I139 HydrophobicContact CD1-CG1 4.47Å; I139-L163 HydrophobicContact CG2-CB 4.49Å; I139-L163 HydrophobicContact CG2-CD2 4.2Å; I139-V164 WeakPolarHBondContact CA-O 3.47Å; I139-V165 HydrophobicContact CG1-CG1 4.22Å; I139-V165 HydrophobicContact CG1-CG2 4.14Å; I139-V165 HydrophobicContact CG2-CG2 4.26Å
140F91.3Very high83.4Confident72 Ų7290.3 Ų90.332%0.31646%0.457SS..EExtended strand (participates in β ladder)trans-145.9154.2170.371.2-81.8000112.8V142 L153 L163 V164 F166F140-V142 HydrophobicContact CE2-CG2 4.05Å; F140-L153 HydrophobicContact CE2-CD2 4.27Å; F140-L153 HydrophobicContact CZ-CD1 4.3Å; F140-L153 HydrophobicContact CZ-CD2 3.78Å; F140-L153 HydrophobicContact CZ-CG 4.35Å; F140-L163 WeakPolarHBondContact O-CA 3.16Å; F140-V164 HydrophobicContact CD1-CB 4.05Å; F140-V164 HydrophobicContact CD1-CG1 4.47Å; F140-V164 HydrophobicContact CE1-CB 3.59Å; F140-V164 HydrophobicContact CE1-CG1 3.71Å; F140-V164 HydrophobicContact CE1-CG2 4.35Å; F140-V164 HydrophobicContact CE2-CB 4.36Å; F140-V164 HydrophobicContact CE2-CG2 4.36Å; F140-V164 HydrophobicContact CZ-CB 3.78Å; F140-V164 HydrophobicContact CZ-CG1 4.06Å; F140-V164 HydrophobicContact CZ-CG2 4.03Å; F140-V164 PolarHBondContact N-O 3.36Å; F140-V164 VanDerWaalsContact N-O 3.08Å; F140-V164 PolarHBondContact O-N 2.97Å; F140-F166 AromaticContact CD1-CD1 3.99Å; F140-F166 HydrophobicContact CD1-CD1 3.99Å; F140-F166 AromaticContact CD1-CE1 3.6Å; F140-F166 HydrophobicContact CD1-CE1 3.6Å; F140-F166 AromaticContact CE1-CD1 3.84Å; F140-F166 HydrophobicContact CE1-CD1 3.84Å; F140-F166 AromaticContact CE1-CE1 3.68Å; F140-F166 HydrophobicContact CE1-CE1 3.68Å
141T91.5Very high83Confident76 Ų7688.8 Ų88.847%0.46645%0.453SS..EExtended strand (participates in β ladder)trans-91.1132.7175.5-42.90000111.2Q143 L163T141-Q143 PolarHBondContact O-N 3.13Å; T141-L163 HydrophobicContact CG2-CD2 4.29Å; T141-L163 WeakPolarHBondContact OG1-CD2 3.36Å
142V89.8Confident82.7Confident8 Ų880.3 Ų80.35%0.04842%0.421CS..  trans-81.4106177.1-177.80000109.5F140 I145 P158 G161 D162 V164F140-V142 HydrophobicContact CE2-CG2 4.05Å; V142-I145 HydrophobicContact CG1-CD1 4.26Å; V142-I145 HydrophobicContact CG1-CG1 3.59Å; V142-P158 HydrophobicContact CG1-CG 4.49Å; V142-P158 HydrophobicContact CG2-CB 3.93Å; V142-P158 HydrophobicContact CG2-CG 3.93Å; V142-G161 PolarHBondContact O-N 3.29Å; V142-D162 PolarHBondContact N-O 2.84Å; V142-V164 HydrophobicContact CG2-CG2 3.69Å
143Q82.9Confident82.6Confident146 Ų14676.3 Ų76.368%0.68240%0.4SS*.SBendtrans-98.8-35.5178.8-66.4-176.9-6.300113.7T141 C160T141-Q143 PolarHBondContact O-N 3.13Å; Q143-C160 PolarHBondContact O-SG 3.44Å
144N70.8Confident82.4Confident122 Ų12278.7 Ų78.765%0.65241%0.411SS*.  trans-150.5113.4179.7-84.2-48.4000109.4K146N144-K146 PolarHBondContact O-N 3.28Å
145I65.8Low82.3Confident105 Ų10580.2 Ų80.254%0.53841%0.409SS..  trans-78.993.2175.5-54.5166.8000107.4V142 P158V142-I145 HydrophobicContact CG1-CD1 4.26Å; V142-I145 HydrophobicContact CG1-CG1 3.59Å; I145-P158 WeakPolarHBondContact CD1-O 3.23Å
146K61.5Low82.2Confident143 Ų14378.6 Ų78.662%0.62240%0.401SS*.  trans-84132.3167.7-68.8-175.3-179.51790107.9N144 N148 Q149N144-K146 PolarHBondContact O-N 3.28Å; K146-N148 PolarHBondContact O-N 2.97Å; K146-Q149 HydrophobicContact CB-CG 4.47Å; K146-Q149 PolarHBondContact O-N 3.39Å
147S52.7Low82Confident105 Ų10577.6 Ų77.673%0.73440%0.402SS*.THydrogen-bonded Turntrans-56.5-3.1-174.852.70000116.7
148N52.5Low81.8Confident157 Ų15777.8 Ų77.884%0.8440%0.404SS*.THydrogen-bonded Turntrans-115.223.9-177.8-74.94000113.4K146K146-N148 PolarHBondContact O-N 2.97Å
149Q66.3Low81.6Confident99 Ų9981.7 Ų81.746%0.46342%0.416SS..SBendtrans-118.4122.8-177-67.4-173.7-33.200111.2K146 L153K146-Q149 HydrophobicContact CB-CG 4.47Å; K146-Q149 PolarHBondContact O-N 3.39Å; Q149-L153 HydrophobicContact CB-CD1 4.13Å
150L77.6Confident81.4Confident75 Ų7584.5 Ų84.539%0.39344%0.437SS..  trans36.7125.1176.2-103.170.5000116.9D102 L152 L153 N154D102-L150 HydrophobicContact CB-CG 4.39Å; D102-L150 WeakPolarHBondContact OD2-CB 3.33Å; D102-L150 VanDerWaalsContact OD2-CG 3.26Å; D102-L150 WeakPolarHBondContact OD2-CG 3.32Å; L150-L152 HydrophobicContact CD2-CB 4.42Å; L150-L152 PolarHBondContact O-N 2.92Å; L150-L153 HydrophobicContact CB-CD1 4.29Å; L150-L153 HydrophobicContact CB-CG 4.22Å; L150-L153 WeakPolarHBondContact O-CB 3.44Å; L150-L153 PolarHBondContact O-N 3.48Å; L150-N154 PolarHBondContact O-N 2.81Å
151D88.6Confident81.4Confident54 Ų5482.2 Ų82.229%0.28943%0.434SS..Hα-helixtrans-55.6-34.1172.1178.570.4000112.4S99 V101 D102 L153 N154 L155S99-D151 VanDerWaalsContact CB-OD2 3.31Å; S99-D151 WeakPolarHBondContact CB-OD2 3.49Å; S99-D151 WeakPolarHBondContact OG-CB 3.05Å; S99-D151 PolarHBondContact OG-OD2 3.03Å; V101-D151 HydrophobicContact CB-CB 3.91Å; V101-D151 HydrophobicContact CG1-CB 4.32Å; V101-D151 HydrophobicContact CG2-CB 4.37Å; D102-D151 WeakPolarHBondContact OD2-CA 3.48Å; D102-D151 PolarHBondContact OD2-N 2.9Å; D151-L153 VanDerWaalsContact C-N 3.28Å; D151-L153 PolarHBondContact O-N 2.88Å; D151-N154 WeakPolarHBondContact O-CB 3.36Å; D151-N154 PolarHBondContact O-N 2.71Å; D151-L155 PolarHBondContact O-N 2.84Å; D151-L155 VanDerWaalsContact O-N 3.09Å
152L89.3Confident81.5Confident2 Ų279.1 Ų79.11%0.0142%0.415CS..Hα-helixtrans-54.9-41.2172.7-17964.2000112.6S97 D102 H104 L150 N154 L155 L156 F166S97-L152 VanDerWaalsContact O-CD1 3.24Å; S97-L152 WeakPolarHBondContact O-CD1 3.29Å; D102-L152 PolarHBondContact OD2-N 3.31Å; H104-L152 HydrophobicContact CB-CD2 3.86Å; L150-L152 HydrophobicContact CD2-CB 4.42Å; L150-L152 PolarHBondContact O-N 2.92Å; L152-N154 VanDerWaalsContact C-N 3.32Å; L152-N154 PolarHBondContact O-N 3.42Å; L152-L155 PolarHBondContact O-N 2.9Å; L152-L156 HydrophobicContact CD1-CD1 3.89Å; L152-L156 HydrophobicContact CD1-CG 4.08Å; L152-L156 HydrophobicContact CD2-CD1 4.26Å; L152-L156 HydrophobicContact CG-CD1 3.75Å; L152-L156 HydrophobicContact CG-CG 4.31Å; L152-L156 WeakPolarHBondContact O-CB 3.14Å; L152-L156 WeakPolarHBondContact O-CG 3.26Å; L152-L156 PolarHBondContact O-N 3.37Å; L152-F166 HydrophobicContact CD2-CB 3.82Å; L152-F166 HydrophobicContact CD2-CG 4.31Å
153L90.5Very high81.8Confident23 Ų2379 Ų7912%0.1241%0.414CS..Hα-helixtrans-67.3-34.8178.8-73.7175.3000111.7F140 Q149 L150 D151 L155 K157 P158 V164F140-L153 HydrophobicContact CE2-CD2 4.27Å; F140-L153 HydrophobicContact CZ-CD1 4.3Å; F140-L153 HydrophobicContact CZ-CD2 3.78Å; F140-L153 HydrophobicContact CZ-CG 4.35Å; Q149-L153 HydrophobicContact CB-CD1 4.13Å; L150-L153 HydrophobicContact CB-CD1 4.29Å; L150-L153 HydrophobicContact CB-CG 4.22Å; L150-L153 WeakPolarHBondContact O-CB 3.44Å; L150-L153 PolarHBondContact O-N 3.48Å; D151-L153 VanDerWaalsContact C-N 3.28Å; D151-L153 PolarHBondContact O-N 2.88Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-K157 PolarHBondContact O-N 3.04Å; L153-P158 HydrophobicContact CD2-CG 3.65Å; L153-P158 VanDerWaalsContact O-CD 3.26Å; L153-P158 WeakPolarHBondContact O-CD 3.42Å; L153-V164 HydrophobicContact CD2-CG2 4.01Å
154N89.1Confident82.3Confident91 Ų9172.1 Ų72.149%0.48738%0.381SS..Hα-helixtrans-67.3-34.9175.5-66.7-36000112.1L150 D151 L152 K157L150-N154 PolarHBondContact O-N 2.81Å; D151-N154 WeakPolarHBondContact O-CB 3.36Å; D151-N154 PolarHBondContact O-N 2.71Å; L152-N154 VanDerWaalsContact C-N 3.32Å; L152-N154 PolarHBondContact O-N 3.42Å; N154-K157 VanDerWaalsContact O-CG 3.24Å; N154-K157 WeakPolarHBondContact O-CG 3.42Å
155L91.9Very high83.6Confident79 Ų7966.3 Ų66.341%0.41435%0.35SS..Hα-helixtrans-72.3-46.7176.2-66.2171.8000111.5Y98 D151 L152 L153Y98-L155 VanDerWaalsContact O-CD1 3.26Å; Y98-L155 WeakPolarHBondContact O-CD1 3.47Å; D151-L155 PolarHBondContact O-N 2.84Å; D151-L155 VanDerWaalsContact O-N 3.09Å; L152-L155 PolarHBondContact O-N 2.9Å; L153-L155 VanDerWaalsContact C-N 3.32Å
156L92.7Very high85Confident19 Ų1963 Ų6310%0.09933%0.332CS..Hα-helixtrans-70.8-31-178.2-75.6177.3000113.2G106 N108 L152 V164G106-L156 WeakPolarHBondContact O-CD2 3.49Å; N108-L156 PolarHBondContact ND2-O 2.95Å; N108-L156 WeakPolarHBondContact OD1-CB 3.03Å; N108-L156 WeakPolarHBondContact OD1-CD1 3.39Å; L152-L156 HydrophobicContact CD1-CD1 3.89Å; L152-L156 HydrophobicContact CD1-CG 4.08Å; L152-L156 HydrophobicContact CD2-CD1 4.26Å; L152-L156 HydrophobicContact CG-CD1 3.75Å; L152-L156 HydrophobicContact CG-CG 4.31Å; L152-L156 WeakPolarHBondContact O-CB 3.14Å; L152-L156 WeakPolarHBondContact O-CG 3.26Å; L152-L156 PolarHBondContact O-N 3.37Å; L156-V164 HydrophobicContact CD1-CG1 3.79Å
157K92Very high86.7Confident166 Ų16656.4 Ų56.472%0.72230%0.304SS*.  trans49.652.2-176.5-55.7178-177.3176.20113.3L153 N154L153-K157 PolarHBondContact O-N 3.04Å; N154-K157 VanDerWaalsContact O-CG 3.24Å; N154-K157 WeakPolarHBondContact O-CG 3.42Å
158P92Very high88.7Confident9 Ų959 Ų596%0.05830%0.302CS..PPolyproline II helixtrans-66.2156177.428.1-31.4000111.5N108 V142 I145 L153 D162 V164N108-P158 VanDerWaalsContact ND2-CA 3.28Å; N108-P158 WeakPolarHBondContact ND2-CA 3.42Å; N108-P158 WeakPolarHBondContact ND2-CB 3.19Å; V142-P158 HydrophobicContact CG1-CG 4.49Å; V142-P158 HydrophobicContact CG2-CB 3.93Å; V142-P158 HydrophobicContact CG2-CG 3.93Å; I145-P158 WeakPolarHBondContact CD1-O 3.23Å; L153-P158 HydrophobicContact CD2-CG 3.65Å; L153-P158 VanDerWaalsContact O-CD 3.26Å; L153-P158 WeakPolarHBondContact O-CD 3.42Å; P158-D162 HydrophobicContact CB-CB 4.01Å; P158-V164 HydrophobicContact CB-CG2 4.18Å; P158-V164 HydrophobicContact CG-CG2 4.16Å
159E91.1Very high90.7Very high135 Ų13552.4 Ų52.463%0.63127%0.271SS*.PPolyproline II helixtrans-94.9166.5170.4-63.8-175.6175.200111.4G161 D162E159-G161 PolarHBondContact O-N 3.41Å; E159-D162 PolarHBondContact N-OD2 3.24Å; E159-D162 WeakPolarHBondContact O-CB 3.27Å; E159-D162 PolarHBondContact O-N 2.75Å; E159-D162 VanDerWaalsContact O-N 3.14Å
160C90.1Very high91.9Very high89 Ų8950.5 Ų50.560%0.60126%0.264SS*.THydrogen-bonded Turntrans-63.7128.6174.2-173.30000110.2Q143Q143-C160 PolarHBondContact O-SG 3.44Å
161G90.7Very high92.7Very high24 Ų2450.5 Ų50.525%0.24727%0.267CS..THydrogen-bonded Turntrans94-9-174.900000114.5S114 V142 E159S114-G161 PolarHBondContact OG-O 3.45Å; V142-G161 PolarHBondContact O-N 3.29Å; E159-G161 PolarHBondContact O-N 3.41Å
162D94.3Very high92.9Very high11 Ų1151.5 Ų51.56%0.05927%0.27CS..  trans-68.4150.7173.4-69.61.4000110.8I109 P110 S111 V142 P158 E159I109-D162 WeakPolarHBondContact O-CA 3.27Å; P110-D162 VanDerWaalsContact CA-OD1 3.29Å; P110-D162 WeakPolarHBondContact CA-OD1 3.44Å; S111-D162 PolarHBondContact N-OD1 2.88Å; V142-D162 PolarHBondContact N-O 2.84Å; P158-D162 HydrophobicContact CB-CB 4.01Å; E159-D162 PolarHBondContact N-OD2 3.24Å; E159-D162 WeakPolarHBondContact O-CB 3.27Å; E159-D162 PolarHBondContact O-N 2.75Å; E159-D162 VanDerWaalsContact O-N 3.14Å
163L94.7Very high93.1Very high6 Ų656.2 Ų56.23%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-97.4136.6165.2-68.8165.8000109.2N108 I109 S114 L117 L122 I139 F140 T141N108-L163 CarbonylContact C-O 3.48Å; N108-L163 WeakPolarHBondContact CA-O 3.33Å; I109-L163 HydrophobicContact CB-CB 4.16Å; I109-L163 HydrophobicContact CD1-CB 4.2Å; I109-L163 PolarHBondContact N-O 2.95Å; I109-L163 PolarHBondContact O-N 3.42Å; S114-L163 VanDerWaalsContact CB-CG 3.48Å; L117-L163 HydrophobicContact CD1-CD1 4.11Å; L122-L163 HydrophobicContact CD1-CD1 4.07Å; L122-L163 HydrophobicContact CD1-CD2 4.13Å; L122-L163 HydrophobicContact CD2-CD1 3.93Å; I139-L163 HydrophobicContact CG2-CB 4.49Å; I139-L163 HydrophobicContact CG2-CD2 4.2Å; F140-L163 WeakPolarHBondContact O-CA 3.16Å; T141-L163 HydrophobicContact CG2-CD2 4.29Å; T141-L163 WeakPolarHBondContact OG1-CD2 3.36Å
164V95.1Very high93.4Very high0 Ų056.5 Ų56.50%030%0.295CS..EExtended strand (participates in β ladder)trans-107.2122.6171.8177.90000108I139 F140 V142 L153 L156 P158 F166I139-V164 WeakPolarHBondContact CA-O 3.47Å; F140-V164 HydrophobicContact CD1-CB 4.05Å; F140-V164 HydrophobicContact CD1-CG1 4.47Å; F140-V164 HydrophobicContact CE1-CB 3.59Å; F140-V164 HydrophobicContact CE1-CG1 3.71Å; F140-V164 HydrophobicContact CE1-CG2 4.35Å; F140-V164 HydrophobicContact CE2-CB 4.36Å; F140-V164 HydrophobicContact CE2-CG2 4.36Å; F140-V164 HydrophobicContact CZ-CB 3.78Å; F140-V164 HydrophobicContact CZ-CG1 4.06Å; F140-V164 HydrophobicContact CZ-CG2 4.03Å; F140-V164 PolarHBondContact N-O 3.36Å; F140-V164 VanDerWaalsContact N-O 3.08Å; F140-V164 PolarHBondContact O-N 2.97Å; V142-V164 HydrophobicContact CG2-CG2 3.69Å; L153-V164 HydrophobicContact CD2-CG2 4.01Å; L156-V164 HydrophobicContact CD1-CG1 3.79Å; P158-V164 HydrophobicContact CB-CG2 4.18Å; P158-V164 HydrophobicContact CG-CG2 4.16Å; V164-F166 HydrophobicContact CG1-CD1 4.37Å
165V96.4Very high93.8Very high0 Ų052.8 Ų52.80%028%0.275CS..EExtended strand (participates in β ladder)trans-105.4124.9172-175.50000107.6G106 F107 I109 I137 S138 I139 L178 A181G106-V165 CarbonylContact C-O 3.59Å; G106-V165 WeakPolarHBondContact CA-O 3.24Å; F107-V165 HydrophobicContact CD1-CB 4.28Å; F107-V165 HydrophobicContact CD2-CB 4.4Å; F107-V165 HydrophobicContact CE1-CB 3.79Å; F107-V165 HydrophobicContact CE1-CG1 3.89Å; F107-V165 HydrophobicContact CE1-CG2 4.5Å; F107-V165 HydrophobicContact CE2-CB 3.91Å; F107-V165 HydrophobicContact CE2-CG2 3.84Å; F107-V165 HydrophobicContact CZ-CB 3.58Å; F107-V165 HydrophobicContact CZ-CG1 3.87Å; F107-V165 HydrophobicContact CZ-CG2 3.8Å; F107-V165 PolarHBondContact N-O 2.8Å; F107-V165 PolarHBondContact O-N 2.82Å; I109-V165 HydrophobicContact CD1-CG2 3.63Å; I109-V165 HydrophobicContact CG1-CG2 4.4Å; I137-V165 HydrophobicContact CB-CG1 4.43Å; I137-V165 HydrophobicContact CD1-CG1 4.02Å; S138-V165 WeakPolarHBondContact O-CA 3.22Å; I139-V165 HydrophobicContact CG1-CG1 4.22Å; I139-V165 HydrophobicContact CG1-CG2 4.14Å; I139-V165 HydrophobicContact CG2-CG2 4.26Å; V165-L178 HydrophobicContact CG1-CD1 4Å; V165-A181 HydrophobicContact CG1-CB 4.49Å
166F96.4Very high94Very high36 Ų3653.3 Ų53.316%0.15827%0.274CS..EExtended strand (participates in β ladder)trans-143.2160.6-176.872.6-79.2000112.8H104 T105 I137 S138 F140 L152 V164H104-F166 HydrophobicContact CB-CD2 4.24Å; H104-F166 AromaticContact CD2-CD2 3.58Å; H104-F166 AromaticContact CD2-CE2 3.69Å; T105-F166 CarbonylContact O-C 3.54Å; T105-F166 VanDerWaalsContact O-CA 3.26Å; T105-F166 WeakPolarHBondContact O-CA 3.45Å; T105-F166 WeakPolarHBondContact O-CB 3.26Å; I137-F166 CarbonylContact C-O 3.56Å; I137-F166 WeakPolarHBondContact CA-O 3.45Å; S138-F166 VanDerWaalsContact CB-CE1 3.42Å; S138-F166 VanDerWaalsContact CB-CZ 3.43Å; S138-F166 PolarHBondContact N-O 2.79Å; S138-F166 WeakPolarHBondContact O-CD1 3.36Å; S138-F166 PolarHBondContact O-N 3.24Å; F140-F166 AromaticContact CD1-CD1 3.99Å; F140-F166 HydrophobicContact CD1-CD1 3.99Å; F140-F166 AromaticContact CD1-CE1 3.6Å; F140-F166 HydrophobicContact CD1-CE1 3.6Å; F140-F166 AromaticContact CE1-CD1 3.84Å; F140-F166 HydrophobicContact CE1-CD1 3.84Å; F140-F166 AromaticContact CE1-CE1 3.68Å; F140-F166 HydrophobicContact CE1-CE1 3.68Å; L152-F166 HydrophobicContact CD2-CB 3.82Å; L152-F166 HydrophobicContact CD2-CG 4.31Å; V164-F166 HydrophobicContact CG1-CD1 4.37Å
167I96.4Very high94.2Very high4 Ų452.4 Ų52.42%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-136.1149.3177-170.7162.1000109.2H104 T105 Q135 I137 E174 A177 L178H104-I167 VanDerWaalsContact CA-O 3.29Å; H104-I167 WeakPolarHBondContact CA-O 3.26Å; T105-I167 PolarHBondContact N-O 3.48Å; T105-I167 PolarHBondContact O-N 2.93Å; Q135-I167 HydrophobicContact CB-CD1 3.85Å; Q135-I167 HydrophobicContact CG-CD1 4.44Å; I137-I167 HydrophobicContact CG2-CB 4.46Å; I137-I167 HydrophobicContact CG2-CD1 4.38Å; I167-E174 HydrophobicContact CD1-CB 3.77Å; I167-E174 HydrophobicContact CD1-CG 3.88Å; I167-E174 HydrophobicContact CG1-CB 4.11Å; I167-E174 HydrophobicContact CG1-CG 4.09Å; I167-E174 HydrophobicContact CG2-CB 4.02Å; I167-A177 HydrophobicContact CD1-CB 4.12Å; I167-L178 HydrophobicContact CG2-CB 4.15Å; I167-L178 HydrophobicContact CG2-CD1 4.36Å; I167-L178 HydrophobicContact CG2-CD2 4.2Å; I167-L178 HydrophobicContact CG2-CG 4.48Å
168K95.4Very high94.5Very high160 Ų16044.5 Ų44.570%0.69624%0.235SC*.EExtended strand (participates in β ladder)trans-85.5117.6174.7-176.2-179.7179.9178.30109.8
169G93.4Very high94.7Very high19 Ų1944.3 Ų44.320%0.19623%0.234CC..  trans115.8165.3-177.200000113G103 T105G103-G169 PolarHBondContact O-N 3.15Å; T105-G169 PolarHBondContact OG1-O 3.15Å
170N93.1Very high95Very high59 Ų5940.5 Ų40.532%0.31622%0.217SC..  trans-143.225.9-177.6-167.655000111.5Y98 T105 E174Y98-N170 HydrophobicContact CD1-CB 4.41Å; Y98-N170 HydrophobicContact CD2-CB 3.63Å; Y98-N170 HydrophobicContact CE1-CB 4.35Å; Y98-N170 HydrophobicContact CE2-CB 3.54Å; Y98-N170 HydrophobicContact CG-CB 4.06Å; T105-N170 PolarHBondContact OG1-OD1 2.71Å; T105-N170 VanDerWaalsContact OG1-OD1 3.05Å; N170-E174 PolarHBondContact N-OE2 3.22Å
171T94.2Very high95.3Very high75 Ų7536.3 Ų36.346%0.4619%0.189SC..SBendtrans-81.3168.5172800000109.8I173 E174 L175T171-I173 PolarHBondContact O-N 2.84Å; T171-I173 VanDerWaalsContact O-N 3.14Å; T171-I173 PolarHBondContact OG1-N 3.33Å; T171-E174 WeakPolarHBondContact CA-OE2 3.4Å; T171-E174 WeakPolarHBondContact CB-OE2 3.45Å; T171-E174 VanDerWaalsContact CG2-OE2 3.32Å; T171-E174 WeakPolarHBondContact CG2-OE2 3.26Å; T171-E174 PolarHBondContact N-OE2 3.43Å; T171-E174 PolarHBondContact O-N 2.99Å; T171-E174 PolarHBondContact OG1-OE1 3.33Å; T171-E174 PolarHBondContact OG1-OE2 2.87Å; T171-L175 WeakPolarHBondContact O-CB 3.35Å; T171-L175 VanDerWaalsContact O-CG 3.3Å; T171-L175 WeakPolarHBondContact O-CG 3.39Å; T171-L175 PolarHBondContact O-N 3.21Å
172E92.3Very high95.7Very high75 Ų7535.2 Ų35.235%0.3518%0.177SC..Hα-helixtrans-55.8-31.6178.2-158.8-175.5153.700112.8Y76 M80 K176Y76-E172 VanDerWaalsContact OH-CD 3.24Å; Y76-E172 PolarHBondContact OH-OE1 3.39Å; Y76-E172 VanDerWaalsContact OH-OE1 3.06Å; M80-E172 HydrophobicContact CE-CG 3.52Å; E172-K176 HydrophobicContact CG-CD 4.17Å; E172-K176 VanDerWaalsContact O-CB 3.27Å; E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 VanDerWaalsContact O-CG 3.23Å; E172-K176 WeakPolarHBondContact O-CG 3.27Å; E172-K176 PolarHBondContact O-N 3.23Å; E172-K176 WeakPolarHBondContact OE1-CE 3.24Å; E172-K176 IonicContact OE1-NZ 2.71Å; E172-K176 PolarHBondContact OE1-NZ 2.88Å
173I93.6Very high95.8Very high100 Ų10036.7 Ų36.751%0.51319%0.187SC..Hα-helixtrans-67.7-50.2179.3-59.8174.8000110.5Q135 T171 K176 A177Q135-I173 HydrophobicContact CG-CG2 3.89Å; T171-I173 PolarHBondContact O-N 2.84Å; T171-I173 VanDerWaalsContact O-N 3.14Å; T171-I173 PolarHBondContact OG1-N 3.33Å; I173-K176 PolarHBondContact O-N 2.74Å; I173-A177 PolarHBondContact O-N 3.4Å; I173-A177 VanDerWaalsContact O-N 3.1Å
174E95.9Very high95.9Very high30 Ų3039 Ų3914%0.1420%0.197CC..Hα-helixtrans-67.8-39.2178.9-65.689.8-145.100111.6I167 N170 T171 A177 L178I167-E174 HydrophobicContact CD1-CB 3.77Å; I167-E174 HydrophobicContact CD1-CG 3.88Å; I167-E174 HydrophobicContact CG1-CB 4.11Å; I167-E174 HydrophobicContact CG1-CG 4.09Å; I167-E174 HydrophobicContact CG2-CB 4.02Å; N170-E174 PolarHBondContact N-OE2 3.22Å; T171-E174 WeakPolarHBondContact CA-OE2 3.4Å; T171-E174 WeakPolarHBondContact CB-OE2 3.45Å; T171-E174 VanDerWaalsContact CG2-OE2 3.32Å; T171-E174 WeakPolarHBondContact CG2-OE2 3.26Å; T171-E174 PolarHBondContact N-OE2 3.43Å; T171-E174 PolarHBondContact O-N 2.99Å; T171-E174 PolarHBondContact OG1-OE1 3.33Å; T171-E174 PolarHBondContact OG1-OE2 2.87Å; E174-A177 PolarHBondContact O-N 3.01Å; E174-L178 WeakPolarHBondContact O-CB 3.46Å; E174-L178 PolarHBondContact O-N 3.07Å
175L97.4Very high95.9Very high12 Ų1239 Ų396%0.06320%0.197CC..Hα-helixtrans-61.9-45.3176.6-71174.6000111.4M80 G84 F96 T105 T171 A177 L178 G179M80-L175 HydrophobicContact CB-CD1 4.42Å; M80-L175 HydrophobicContact CE-CB 4.17Å; G84-L175 WeakPolarHBondContact CA-O 3.47Å; F96-L175 HydrophobicContact CD2-CD2 3.97Å; F96-L175 HydrophobicContact CE2-CD2 4.34Å; T105-L175 HydrophobicContact CG2-CD2 4.01Å; T171-L175 WeakPolarHBondContact O-CB 3.35Å; T171-L175 VanDerWaalsContact O-CG 3.3Å; T171-L175 WeakPolarHBondContact O-CG 3.39Å; T171-L175 PolarHBondContact O-N 3.21Å; L175-A177 VanDerWaalsContact C-N 3.33Å; L175-A177 PolarHBondContact O-N 3.28Å; L175-L178 PolarHBondContact O-N 2.97Å; L175-G179 PolarHBondContact O-N 3.05Å
176K96.6Very high95.9Very high91 Ų9139 Ų3940%0.39620%0.197SC..Hα-helixtrans-61.8-39.2175.6-78.9173.6168.9172.60112.4M80 G84 E172 I173 G179 M180M80-K176 HydrophobicContact CE-CD 4.45Å; M80-K176 HydrophobicContact CE-CG 3.79Å; G84-K176 WeakPolarHBondContact O-CA 3.49Å; E172-K176 HydrophobicContact CG-CD 4.17Å; E172-K176 VanDerWaalsContact O-CB 3.27Å; E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 VanDerWaalsContact O-CG 3.23Å; E172-K176 WeakPolarHBondContact O-CG 3.27Å; E172-K176 PolarHBondContact O-N 3.23Å; E172-K176 WeakPolarHBondContact OE1-CE 3.24Å; E172-K176 IonicContact OE1-NZ 2.71Å; E172-K176 PolarHBondContact OE1-NZ 2.88Å; I173-K176 PolarHBondContact O-N 2.74Å; K176-G179 PolarHBondContact O-N 3.12Å; K176-M180 PolarHBondContact O-N 2.94Å
177A97.4Very high95.8Very high0 Ų042.1 Ų42.10%021%0.211CC..Hα-helixtrans-65.4-44.517600000112.2V129 T133 Q135 I167 I173 E174 L175 G179 M180 A181V129-A177 HydrophobicContact CG1-CB 4.2Å; T133-A177 HydrophobicContact CG2-CB 4.15Å; Q135-A177 HydrophobicContact CB-CB 3.65Å; Q135-A177 HydrophobicContact CG-CB 3.88Å; I167-A177 HydrophobicContact CD1-CB 4.12Å; I173-A177 PolarHBondContact O-N 3.4Å; I173-A177 VanDerWaalsContact O-N 3.1Å; E174-A177 PolarHBondContact O-N 3.01Å; L175-A177 VanDerWaalsContact C-N 3.33Å; L175-A177 PolarHBondContact O-N 3.28Å; A177-G179 VanDerWaalsContact C-N 3.32Å; A177-G179 PolarHBondContact O-N 3.2Å; A177-M180 WeakPolarHBondContact O-CB 3.34Å; A177-M180 PolarHBondContact O-N 3.21Å; A177-A181 PolarHBondContact O-N 3.33Å
178L97.6Very high95.8Very high0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-66.5-35175.7-165.667.7000111.7F96 T105 F107 V165 I167 E174 L175 A181 R182F96-L178 HydrophobicContact CD1-CD2 3.92Å; F96-L178 HydrophobicContact CD1-CG 4.36Å; F96-L178 HydrophobicContact CD2-CD2 3.81Å; F96-L178 HydrophobicContact CD2-CG 4.47Å; F96-L178 HydrophobicContact CE1-CD2 3.89Å; F96-L178 HydrophobicContact CE1-CG 3.83Å; F96-L178 HydrophobicContact CE2-CB 3.89Å; F96-L178 HydrophobicContact CE2-CD2 3.75Å; F96-L178 HydrophobicContact CE2-CG 3.93Å; F96-L178 HydrophobicContact CG-CD2 3.88Å; F96-L178 VanDerWaalsContact CZ-C 3.48Å; F96-L178 HydrophobicContact CZ-CB 3.8Å; F96-L178 HydrophobicContact CZ-CD2 3.81Å; F96-L178 HydrophobicContact CZ-CG 3.59Å; T105-L178 HydrophobicContact CG2-CD2 3.77Å; F107-L178 HydrophobicContact CD1-CD1 3.79Å; F107-L178 HydrophobicContact CD1-CD2 4.17Å; F107-L178 HydrophobicContact CD1-CG 3.81Å; F107-L178 HydrophobicContact CE1-CD1 3.59Å; F107-L178 HydrophobicContact CE1-CG 3.84Å; V165-L178 HydrophobicContact CG1-CD1 4Å; I167-L178 HydrophobicContact CG2-CB 4.15Å; I167-L178 HydrophobicContact CG2-CD1 4.36Å; I167-L178 HydrophobicContact CG2-CD2 4.2Å; I167-L178 HydrophobicContact CG2-CG 4.48Å; E174-L178 WeakPolarHBondContact O-CB 3.46Å; E174-L178 PolarHBondContact O-N 3.07Å; L175-L178 PolarHBondContact O-N 2.97Å; L178-A181 WeakPolarHBondContact O-CB 3.26Å; L178-A181 PolarHBondContact O-N 2.89Å; L178-R182 WeakPolarHBondContact O-CB 3.36Å; L178-R182 PolarHBondContact O-N 2.78Å
179G97.6Very high95.8Very high4 Ų436.3 Ų36.34%0.04119%0.187CC..Hα-helixtrans-63.5-41.8174.800000112.8Y83 L175 K176 A177 R182 V183Y83-G179 VanDerWaalsContact O-CA 3.25Å; Y83-G179 WeakPolarHBondContact O-CA 3.13Å; L175-G179 PolarHBondContact O-N 3.05Å; K176-G179 PolarHBondContact O-N 3.12Å; A177-G179 VanDerWaalsContact C-N 3.32Å; A177-G179 PolarHBondContact O-N 3.2Å; G179-R182 WeakPolarHBondContact O-CB 3.47Å; G179-R182 PolarHBondContact O-N 3.17Å; G179-V183 PolarHBondContact O-N 3.49Å
180M96.4Very high95.9Very high56 Ų5639.2 Ų39.228%0.27620%0.198SC..Hα-helixtrans-60.7-49.7170.7-177.7-177-65.500110.9L132 T133 K176 A177 R182 V183 E184L132-M180 HydrophobicContact CB-CE 3.92Å; L132-M180 HydrophobicContact CB-SD 3.73Å; L132-M180 HydrophobicContact CD1-CE 4.18Å; L132-M180 HydrophobicContact CD1-SD 3.65Å; L132-M180 HydrophobicContact CG-SD 4.33Å; T133-M180 HydrophobicContact CG2-CE 3.55Å; T133-M180 HydrophobicContact CG2-SD 3.74Å; K176-M180 PolarHBondContact O-N 2.94Å; A177-M180 WeakPolarHBondContact O-CB 3.34Å; A177-M180 PolarHBondContact O-N 3.21Å; M180-R182 VanDerWaalsContact C-N 3.28Å; M180-R182 PolarHBondContact O-N 2.85Å; M180-V183 PolarHBondContact O-N 2.54Å; M180-V183 VanDerWaalsContact O-N 3.16Å; M180-E184 HydrophobicContact CG-CG 4.25Å; M180-E184 WeakPolarHBondContact O-CG 3.38Å; M180-E184 PolarHBondContact O-N 2.93Å
181A97.3Very high95.9Very high0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-55.7-44.8178.400000111.7V129 I137 V165 A177 L178 V183 E184 V185V129-A181 HydrophobicContact CG2-CB 3.84Å; I137-A181 HydrophobicContact CD1-CB 3.94Å; V165-A181 HydrophobicContact CG1-CB 4.49Å; A177-A181 PolarHBondContact O-N 3.33Å; L178-A181 WeakPolarHBondContact O-CB 3.26Å; L178-A181 PolarHBondContact O-N 2.89Å; A181-V183 PolarHBondContact O-N 3.14Å; A181-E184 PolarHBondContact O-N 2.88Å; A181-V185 WeakPolarHBondContact O-CB 3.35Å; A181-V185 VanDerWaalsContact O-CG2 3.22Å; A181-V185 WeakPolarHBondContact O-CG2 3.2Å; A181-V185 PolarHBondContact O-N 3.48Å
182R97.8Very high95.9Very high2 Ų241.3 Ų41.31%0.00821%0.209CC..Hα-helixtrans-55.6-47.8176.7173.7-177.8172.9-84.5-4.6112.5D89 F92 G93 F94 F96 F107 L178 G179 M180 A186D89-R182 PolarHBondContact O-NH1 3.1Å; D89-R182 PolarHBondContact O-NH2 3.4Å; F92-R182 HydrophobicContact CE2-CG 3.65Å; F92-R182 HydrophobicContact CZ-CG 4.02Å; F92-R182 VanDerWaalsContact CZ-NH1 3.27Å; F92-R182 PolarHBondContact O-NH2 3.14Å; G93-R182 PolarHBondContact O-NE 3.47Å; G93-R182 PolarHBondContact O-NH2 2.82Å; F94-R182 HydrophobicContact CB-CG 3.99Å; F94-R182 HydrophobicContact CD2-CG 4.46Å; F94-R182 WeakPolarHBondContact O-CD 3.32Å; F94-R182 PolarHBondContact O-NE 3.39Å; F96-R182 HydrophobicContact CE1-CB 4.16Å; F96-R182 HydrophobicContact CZ-CB 4.47Å; F107-R182 HydrophobicContact CE1-CB 3.98Å; F107-R182 HydrophobicContact CZ-CB 4.05Å; L178-R182 WeakPolarHBondContact O-CB 3.36Å; L178-R182 PolarHBondContact O-N 2.78Å; G179-R182 WeakPolarHBondContact O-CB 3.47Å; G179-R182 PolarHBondContact O-N 3.17Å; M180-R182 VanDerWaalsContact C-N 3.28Å; M180-R182 PolarHBondContact O-N 2.85Å; R182-A186 PolarHBondContact O-N 3.2Å
183V96.6Very high95.9Very high42 Ų4241 Ų4126%0.25523%0.226SC..Hα-helixtrans-71.4-41-178.4172.30000111.5F92 G179 M180 A181 A186 K187F92-V183 HydrophobicContact CZ-CG2 4.46Å; G179-V183 PolarHBondContact O-N 3.49Å; M180-V183 PolarHBondContact O-N 2.54Å; M180-V183 VanDerWaalsContact O-N 3.16Å; A181-V183 PolarHBondContact O-N 3.14Å; V183-A186 PolarHBondContact O-N 2.95Å; V183-K187 HydrophobicContact CG1-CD 4.45Å; V183-K187 WeakPolarHBondContact O-CG 3.44Å; V183-K187 PolarHBondContact O-N 2.61Å
184E96.2Very high95.9Very high53 Ų5338.4 Ų38.425%0.24821%0.213CC..Hα-helixtrans-66.8-39.9179-66.5-52.813200112.1L125 L128 M180 A181 A186 K187 L188L125-E184 HydrophobicContact CD1-CB 3.71Å; L128-E184 HydrophobicContact CD2-CB 4.37Å; L128-E184 HydrophobicContact CD2-CG 3.88Å; M180-E184 HydrophobicContact CG-CG 4.25Å; M180-E184 WeakPolarHBondContact O-CG 3.38Å; M180-E184 PolarHBondContact O-N 2.93Å; A181-E184 PolarHBondContact O-N 2.88Å; E184-A186 VanDerWaalsContact C-N 3.31Å; E184-A186 PolarHBondContact O-N 3.32Å; E184-K187 PolarHBondContact O-N 3.18Å; E184-K187 IonicContact OE1-NZ 3.27Å; E184-K187 PolarHBondContact OE1-NZ 2.79Å; E184-K187 IonicContact OE2-NZ 2.99Å; E184-L188 WeakPolarHBondContact O-CB 3.36Å; E184-L188 PolarHBondContact O-N 2.77Å
185V95.9Very high95.7Very high2 Ų241.8 Ų41.81%0.01224%0.24CC..Hα-helixtrans-58.8-43.6171.4168.40000111.2F94 I109 L125 A181 L188 I189F94-V185 HydrophobicContact CE2-CG1 4.05Å; I109-V185 HydrophobicContact CD1-CG1 3.61Å; I109-V185 HydrophobicContact CD1-CG2 4.2Å; I109-V185 HydrophobicContact CG1-CG1 4.09Å; L125-V185 HydrophobicContact CD1-CG2 3.96Å; L125-V185 HydrophobicContact CD2-CG2 3.2Å; L125-V185 HydrophobicContact CG-CG2 4.21Å; A181-V185 WeakPolarHBondContact O-CB 3.35Å; A181-V185 VanDerWaalsContact O-CG2 3.22Å; A181-V185 WeakPolarHBondContact O-CG2 3.2Å; A181-V185 PolarHBondContact O-N 3.48Å; V185-L188 WeakPolarHBondContact O-CB 3.44Å; V185-L188 PolarHBondContact O-N 3Å; V185-I189 HydrophobicContact CG1-CD1 3.63Å; V185-I189 HydrophobicContact CG1-CG1 4.33Å; V185-I189 VanDerWaalsContact O-CG1 3.29Å; V185-I189 WeakPolarHBondContact O-CG1 3.36Å; V185-I189 PolarHBondContact O-N 3.09Å
186A96.8Very high95.6Very high0 Ų041.7 Ų41.70%024%0.239CC..Hα-helixtrans-64.7-42.1-179.700000112.2F92 R182 V183 E184 L188 I189 D190 I196 Y197F92-A186 HydrophobicContact CD1-CB 4.3Å; F92-A186 HydrophobicContact CD2-CB 4Å; F92-A186 HydrophobicContact CE1-CB 3.89Å; F92-A186 HydrophobicContact CE2-CB 3.56Å; F92-A186 HydrophobicContact CG-CB 4.35Å; F92-A186 HydrophobicContact CZ-CB 3.49Å; F92-A186 VanDerWaalsContact CZ-CB 3.49Å; R182-A186 PolarHBondContact O-N 3.2Å; V183-A186 PolarHBondContact O-N 2.95Å; E184-A186 VanDerWaalsContact C-N 3.31Å; E184-A186 PolarHBondContact O-N 3.32Å; A186-L188 VanDerWaalsContact C-N 3.28Å; A186-L188 PolarHBondContact O-N 3.05Å; A186-I189 PolarHBondContact O-N 3.47Å; A186-D190 WeakPolarHBondContact O-CB 3.33Å; A186-D190 PolarHBondContact O-N 3.48Å; A186-I196 HydrophobicContact CB-CD1 3.86Å; A186-Y197 HydrophobicContact CB-CE1 4.23Å; A186-Y197 WeakPolarHBondContact CB-OH 3.17Å
187K94.9Very high95.5Very high101 Ų10139.2 Ų39.244%0.43923%0.228SC..Hα-helixtrans-60.7-39.6173-69.4172-175.9167.50111.8V183 E184 D190 S191 Y197V183-K187 HydrophobicContact CG1-CD 4.45Å; V183-K187 WeakPolarHBondContact O-CG 3.44Å; V183-K187 PolarHBondContact O-N 2.61Å; E184-K187 PolarHBondContact O-N 3.18Å; E184-K187 IonicContact OE1-NZ 3.27Å; E184-K187 PolarHBondContact OE1-NZ 2.79Å; E184-K187 IonicContact OE2-NZ 2.99Å; K187-D190 PolarHBondContact O-N 3.06Å; K187-S191 WeakPolarHBondContact O-CB 3.3Å; K187-S191 PolarHBondContact O-N 3.29Å; K187-Y197 PolarHBondContact N-OH 2.93Å
188L95.3Very high95.3Very high40 Ų4044.7 Ų44.721%0.20925%0.253CS..Hα-helixtrans-65.6-46.6178.5-173.556.5000111.3L117 D121 E184 V185 A186 D190 S191 K192L117-L188 HydrophobicContact CD2-CD2 3.98Å; L117-L188 HydrophobicContact CD2-CG 3.97Å; D121-L188 HydrophobicContact CB-CD2 3.73Å; E184-L188 WeakPolarHBondContact O-CB 3.36Å; E184-L188 PolarHBondContact O-N 2.77Å; V185-L188 WeakPolarHBondContact O-CB 3.44Å; V185-L188 PolarHBondContact O-N 3Å; A186-L188 VanDerWaalsContact C-N 3.28Å; A186-L188 PolarHBondContact O-N 3.05Å; L188-D190 VanDerWaalsContact C-N 3.33Å; L188-D190 PolarHBondContact O-N 2.88Å; L188-S191 PolarHBondContact O-N 2.91Å; L188-S191 PolarHBondContact O-OG 3.06Å; L188-K192 WeakPolarHBondContact O-CG 3.36Å; L188-K192 PolarHBondContact O-N 3.27Å
189I96Very high94.9Very high1 Ų150 Ų501%0.00529%0.288CS..Hα-helixtrans-57.5-46.5175-69.9164.3000110.9F94 I109 Y113 L117 V185 A186 S191 K192 L194 I196F94-I189 HydrophobicContact CE2-CD1 3.96Å; F94-I189 HydrophobicContact CZ-CD1 3.9Å; I109-I189 HydrophobicContact CG2-CD1 4.21Å; Y113-I189 HydrophobicContact CD1-CG2 3.65Å; Y113-I189 HydrophobicContact CD2-CD1 4.35Å; Y113-I189 HydrophobicContact CE1-CG2 4.21Å; Y113-I189 HydrophobicContact CG-CD1 4.03Å; Y113-I189 HydrophobicContact CG-CG2 4.08Å; L117-I189 HydrophobicContact CD1-CG1 4.49Å; L117-I189 HydrophobicContact CD2-CG1 4.24Å; V185-I189 HydrophobicContact CG1-CD1 3.63Å; V185-I189 HydrophobicContact CG1-CG1 4.33Å; V185-I189 VanDerWaalsContact O-CG1 3.29Å; V185-I189 WeakPolarHBondContact O-CG1 3.36Å; V185-I189 PolarHBondContact O-N 3.09Å; A186-I189 PolarHBondContact O-N 3.47Å; I189-S191 VanDerWaalsContact C-N 3.33Å; I189-S191 PolarHBondContact O-N 3.13Å; I189-K192 PolarHBondContact O-N 3.37Å; I189-K192 VanDerWaalsContact O-N 3.14Å; I189-L194 HydrophobicContact CG2-CB 3.69Å; I189-L194 HydrophobicContact CG2-CD1 4.12Å; I189-L194 PolarHBondContact O-N 2.94Å; I189-I196 HydrophobicContact CB-CD1 4.26Å; I189-I196 HydrophobicContact CD1-CD1 3.73Å; I189-I196 HydrophobicContact CG2-CB 3.98Å; I189-I196 HydrophobicContact CG2-CD1 4.1Å; I189-I196 HydrophobicContact CG2-CG2 4.22Å
190D94.6Very high94.5Very high80 Ų8050.8 Ų50.843%0.42830%0.296SS..Hα-helixtrans-61.1-40.8177.3-17265.8000111.9A186 K187 L188 K192 G193 I196 Y197A186-D190 WeakPolarHBondContact O-CB 3.33Å; A186-D190 PolarHBondContact O-N 3.48Å; K187-D190 PolarHBondContact O-N 3.06Å; L188-D190 VanDerWaalsContact C-N 3.33Å; L188-D190 PolarHBondContact O-N 2.88Å; D190-K192 PolarHBondContact O-N 2.95Å; D190-G193 WeakPolarHBondContact O-CA 3.3Å; D190-G193 PolarHBondContact O-N 2.88Å; D190-I196 HydrophobicContact CB-CG2 4.06Å; D190-Y197 HydrophobicContact CB-CD2 4.18Å; D190-Y197 HydrophobicContact CB-CE2 3.7Å
191S93.9Very high94.4Very high85 Ų8549.4 Ų49.459%0.59429%0.288SS*.Hα-helixtrans-63.7-22.5176.780.70000114.1K187 L188 I189K187-S191 WeakPolarHBondContact O-CB 3.3Å; K187-S191 PolarHBondContact O-N 3.29Å; L188-S191 PolarHBondContact O-N 2.91Å; L188-S191 PolarHBondContact O-OG 3.06Å; I189-S191 VanDerWaalsContact C-N 3.33Å; I189-S191 PolarHBondContact O-N 3.13Å
192K93.3Very high94.2Very high93 Ų9351.7 Ų51.740%0.40430%0.299SS..THydrogen-bonded Turntrans-84.23173.2-54-71.2-179.5171.20112.3D121 L188 I189 D190D121-K192 IonicContact OD1-NZ 3.03Å; D121-K192 PolarHBondContact OD1-NZ 3.35Å; D121-K192 IonicContact OD2-NZ 2.92Å; D121-K192 PolarHBondContact OD2-NZ 2.93Å; L188-K192 WeakPolarHBondContact O-CG 3.36Å; L188-K192 PolarHBondContact O-N 3.27Å; I189-K192 PolarHBondContact O-N 3.37Å; I189-K192 VanDerWaalsContact O-N 3.14Å; D190-K192 PolarHBondContact O-N 2.95Å
193G92.5Very high94.2Very high69 Ų6952.2 Ų52.271%0.71130%0.301SS*.THydrogen-bonded Turntrans84.514.8178.100000114.6D190D190-G193 WeakPolarHBondContact O-CA 3.3Å; D190-G193 PolarHBondContact O-N 2.88Å
194L93.3Very high94.2Very high45 Ų4550.3 Ų50.324%0.23629%0.289CS..  trans-92.5125.9177.1-64.4173.9000110.4Y113 N116 I189 I196Y113-L194 HydrophobicContact CD1-CB 4.39Å; Y113-L194 HydrophobicContact CD1-CD1 4.14Å; N116-L194 HydrophobicContact CB-CD1 3.81Å; I189-L194 HydrophobicContact CG2-CB 3.69Å; I189-L194 HydrophobicContact CG2-CD1 4.12Å; I189-L194 PolarHBondContact O-N 2.94Å; L194-I196 PolarHBondContact O-N 3.48Å
195S92.4Very high94.3Very high101 Ų10147.8 Ų47.871%0.70628%0.278SS*.  trans-70.5102.2176.5-1720000110.6
196I95.4Very high94.4Very high11 Ų1147.7 Ų47.76%0.05628%0.277CS..  trans-106.3-31.2176.4-175.3164.5000112.9F92 F94 Y113 A186 I189 D190 L194F92-I196 HydrophobicContact CB-CD1 4.45Å; F92-I196 HydrophobicContact CB-CG1 3.81Å; F92-I196 WeakPolarHBondContact CB-O 3.43Å; F92-I196 HydrophobicContact CD2-CD1 4.31Å; F92-I196 HydrophobicContact CG-CG1 4.31Å; F94-I196 HydrophobicContact CE2-CD1 3.53Å; F94-I196 HydrophobicContact CZ-CD1 3.49Å; F94-I196 VanDerWaalsContact CZ-CD1 3.49Å; Y113-I196 HydrophobicContact CE2-CD1 4.37Å; Y113-I196 HydrophobicContact CE2-CG1 4.43Å; A186-I196 HydrophobicContact CB-CD1 3.86Å; I189-I196 HydrophobicContact CB-CD1 4.26Å; I189-I196 HydrophobicContact CD1-CD1 3.73Å; I189-I196 HydrophobicContact CG2-CB 3.98Å; I189-I196 HydrophobicContact CG2-CD1 4.1Å; I189-I196 HydrophobicContact CG2-CG2 4.22Å; D190-I196 HydrophobicContact CB-CG2 4.06Å; L194-I196 PolarHBondContact O-N 3.48Å
197Y94.9Very high94.5Very high38 Ų3848.9 Ų48.915%0.14928%0.283CS..SBendtrans-87.9125.2-177.7-61.5-71.7000111R91 F92 A186 K187 D190R91-Y197 HydrophobicContact CB-CD1 4.04Å; F92-Y197 AromaticContact CD1-CD1 3.73Å; F92-Y197 HydrophobicContact CD1-CD1 3.73Å; F92-Y197 AromaticContact CD1-CE1 3.52Å; F92-Y197 HydrophobicContact CD1-CE1 3.52Å; F92-Y197 HydrophobicContact CE1-CD1 4.29Å; F92-Y197 AromaticContact CE1-CE1 3.64Å; F92-Y197 HydrophobicContact CE1-CE1 3.64Å; F92-Y197 HydrophobicContact CG-CE1 4.49Å; A186-Y197 HydrophobicContact CB-CE1 4.23Å; A186-Y197 WeakPolarHBondContact CB-OH 3.17Å; K187-Y197 PolarHBondContact N-OH 2.93Å; D190-Y197 HydrophobicContact CB-CD2 4.18Å; D190-Y197 HydrophobicContact CB-CE2 3.7Å
198E93.1Very high94.5Very high116 Ų11648.2 Ų48.254%0.54228%0.282SS..PPolyproline II helixtrans-60.9126.7166.8-72.1-178.4-172.400109.9R91 H202R91-E198 WeakPolarHBondContact O-CB 3.34Å; R91-E198 WeakPolarHBondContact O-CG 3.46Å; R91-E198 PolarHBondContact O-N 3.39Å; E198-H202 PolarHBondContact O-CE1 3.15Å; E198-H202 IonicContact OE2-NE2 3.68Å
199P89.9Confident94.6Very high112 Ų11246.5 Ų46.573%0.72727%0.273SS*.SBendtrans-69.8145.5-177.128.2-34.5000111.2
200G89.2Confident94.6Very high20 Ų2048.5 Ų48.521%0.20629%0.286CS..SBendtrans114-169177.800000113.5N255G200-N255 PolarHBondContact O-ND2 3.04Å
201F92.5Very high94.7Very high27 Ų2745 Ų4512%0.11827%0.267CS..  trans-110.1111.9-178.2-63.7-79.5000109.8W55 V58 C64 I67 F203 I314 F315W55-F201 HydrophobicContact CH2-CB 3.75Å; W55-F201 AromaticContact CH2-CD2 3.31Å; W55-F201 HydrophobicContact CH2-CD2 3.31Å; W55-F201 AromaticContact CH2-CE2 3.99Å; W55-F201 HydrophobicContact CH2-CE2 3.99Å; W55-F201 AromaticContact CH2-CG 3.69Å; W55-F201 HydrophobicContact CH2-CG 3.69Å; W55-F201 HydrophobicContact CZ2-CB 4.33Å; W55-F201 AromaticContact CZ2-CD2 3.51Å; W55-F201 HydrophobicContact CZ2-CD2 3.51Å; W55-F201 HydrophobicContact CZ2-CE2 4.15Å; W55-F201 HydrophobicContact CZ2-CG 4.26Å; V58-F201 HydrophobicContact CG1-CE2 4.44Å; C64-F201 HydrophobicContact CB-CD2 3.87Å; C64-F201 HydrophobicContact CB-CE2 3.39Å; C64-F201 HydrophobicContact CB-CZ 4.43Å; C64-F201 WeakPolarHBondContact SG-CE2 3.39Å; I67-F201 HydrophobicContact CG2-CB 4.4Å; F201-F203 HydrophobicContact CB-CD2 4.22Å; F201-F203 HydrophobicContact CB-CE2 3.82Å; F201-I314 HydrophobicContact CD1-CG2 3.78Å; F201-I314 HydrophobicContact CE1-CG2 3.5Å; F201-I314 WeakPolarHBondContact CE1-O 3.3Å; F201-F315 HydrophobicContact CD1-CD1 4.45Å; F201-F315 HydrophobicContact CE1-CD1 4.04Å; F201-F315 HydrophobicContact CZ-CD1 4.1Å
202H94.2Very high94.9Very high48 Ų4841.4 Ų41.422%0.22224%0.241CC..  trans-101.792.5-178.2-61.776.1000108.2V90 R91 E198 N255V90-H202 HydrophobicContact CG2-CB 3.68Å; R91-H202 HydrophobicContact CG-CB 4.36Å; R91-H202 WeakPolarHBondContact CG-ND1 3.34Å; E198-H202 PolarHBondContact O-CE1 3.15Å; E198-H202 IonicContact OE2-NE2 3.68Å; H202-N255 PolarHBondContact N-OD1 3.36Å; H202-N255 PolarHBondContact O-N 3.26Å
203F96.8Very high94.9Very high13 Ų1340.2 Ų40.26%0.05724%0.237CC..EExtended strand (participates in β ladder)trans-82.2140.3174.4-71.5-82.2000111.2L51 W55 I67 F71 F201 L252 V253 C254 V259 L311 F315L51-F203 HydrophobicContact CD1-CD1 4.4Å; L51-F203 HydrophobicContact CD1-CE1 4.13Å; L51-F203 HydrophobicContact CD1-CZ 4.36Å; L51-F203 HydrophobicContact CD2-CZ 4.43Å; W55-F203 AromaticContact CH2-CE2 3.94Å; W55-F203 HydrophobicContact CH2-CE2 3.94Å; W55-F203 AromaticContact CZ3-CE2 3.79Å; W55-F203 HydrophobicContact CZ3-CE2 3.79Å; W55-F203 HydrophobicContact CZ3-CZ 4.33Å; I67-F203 HydrophobicContact CG2-CD2 4.01Å; I67-F203 HydrophobicContact CG2-CE2 4.05Å; F71-F203 HydrophobicContact CB-CB 4.39Å; F71-F203 HydrophobicContact CD1-CB 3.81Å; F71-F203 HydrophobicContact CD2-CB 3.5Å; F71-F203 HydrophobicContact CD2-CG 4.22Å; F71-F203 HydrophobicContact CE1-CB 3.86Å; F71-F203 HydrophobicContact CE1-CD2 4.17Å; F71-F203 HydrophobicContact CE1-CG 4.26Å; F71-F203 HydrophobicContact CE2-CB 3.55Å; F71-F203 HydrophobicContact CE2-CD1 4.17Å; F71-F203 HydrophobicContact CE2-CD2 4.27Å; F71-F203 AromaticContact CE2-CG 3.76Å; F71-F203 HydrophobicContact CE2-CG 3.76Å; F71-F203 HydrophobicContact CG-CB 3.64Å; F71-F203 HydrophobicContact CZ-CB 3.74Å; F71-F203 AromaticContact CZ-CD2 3.83Å; F71-F203 HydrophobicContact CZ-CD2 3.83Å; F71-F203 AromaticContact CZ-CG 3.79Å; F71-F203 HydrophobicContact CZ-CG 3.79Å; F201-F203 HydrophobicContact CB-CD2 4.22Å; F201-F203 HydrophobicContact CB-CE2 3.82Å; F203-L252 HydrophobicContact CB-CD1 4.46Å; F203-L252 HydrophobicContact CD1-CD1 4.03Å; F203-L252 HydrophobicContact CD1-CD2 4.3Å; F203-L252 HydrophobicContact CD1-CG 4.21Å; F203-L252 HydrophobicContact CE1-CD2 4.47Å; F203-V253 CarbonylContact C-O 3.56Å; F203-V253 VanDerWaalsContact CA-O 3.32Å; F203-V253 WeakPolarHBondContact CA-O 3.31Å; F203-C254 HydrophobicContact CD1-CB 3.71Å; F203-C254 HydrophobicContact CE1-CB 3.59Å; F203-C254 HydrophobicContact CG-CB 4.48Å; F203-C254 HydrophobicContact CZ-CB 4.25Å; F203-V259 HydrophobicContact CE1-CG2 4.3Å; F203-L311 HydrophobicContact CE1-CD1 4.35Å; F203-L311 HydrophobicContact CZ-CD1 4.48Å; F203-F315 AromaticContact CZ-CE1 3.94Å; F203-F315 HydrophobicContact CZ-CE1 3.94Å; F203-F315 HydrophobicContact CZ-CZ 4.33Å
204L97.8Very high94.9Very high1 Ų143 Ų431%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-151.1150.6172.166.5104.8000110.9M72 P88 V90 I206 V253M72-L204 HydrophobicContact CB-CB 4.09Å; M72-L204 CarbonylContact O-C 3.43Å; M72-L204 WeakPolarHBondContact O-CA 3.31Å; M72-L204 WeakPolarHBondContact O-CB 3.26Å; P88-L204 HydrophobicContact CG-CD1 3.95Å; P88-L204 HydrophobicContact CG-CD2 4.22Å; V90-L204 HydrophobicContact CB-CD2 4.26Å; V90-L204 HydrophobicContact CG1-CD2 3.52Å; V90-L204 HydrophobicContact CG2-CD2 3.69Å; L204-I206 HydrophobicContact CD1-CD1 3.25Å; L204-I206 HydrophobicContact CD1-CG1 3.63Å; L204-V253 HydrophobicContact CD1-CB 4.12Å; L204-V253 HydrophobicContact CG-CB 4.03Å; L204-V253 HydrophobicContact CG-CG1 4.48Å; L204-V253 PolarHBondContact N-O 2.9Å; L204-V253 PolarHBondContact O-N 3.09Å
205W98.6Very high94.7Very high0 Ų043.6 Ų43.60%023%0.233CC..EExtended strand (participates in β ladder)trans-95.3132.1172-65.9103.7000110.2Y44 I47 E48 F71 M72 R73 M74 Y250 D251 L252 I304Y44-W205 AromaticContact CD1-CD2 3.38Å; Y44-W205 HydrophobicContact CD1-CD2 3.38Å; Y44-W205 AromaticContact CD1-CE2 3.49Å; Y44-W205 VanDerWaalsContact CD1-CE2 3.49Å; Y44-W205 AromaticContact CD1-CE3 3.62Å; Y44-W205 HydrophobicContact CD1-CE3 3.62Å; Y44-W205 AromaticContact CD1-CG 3.85Å; Y44-W205 HydrophobicContact CD1-CG 3.85Å; Y44-W205 HydrophobicContact CD1-CH2 4.02Å; Y44-W205 AromaticContact CD1-CZ2 3.83Å; Y44-W205 HydrophobicContact CD1-CZ2 3.83Å; Y44-W205 AromaticContact CD1-CZ3 3.91Å; Y44-W205 HydrophobicContact CD1-CZ3 3.91Å; Y44-W205 AromaticContact CD1-NE1 3.94Å; Y44-W205 HydrophobicContact CE1-CB 4.33Å; Y44-W205 AromaticContact CE1-CD2 3.69Å; Y44-W205 HydrophobicContact CE1-CD2 3.69Å; Y44-W205 AromaticContact CE1-CE3 3.62Å; Y44-W205 HydrophobicContact CE1-CE3 3.62Å; Y44-W205 HydrophobicContact CE1-CG 4.02Å; Y44-W205 HydrophobicContact CE1-CZ3 4.12Å; Y44-W205 HydrophobicContact CG-CD2 4.31Å; Y44-W205 HydrophobicContact CG-CG 4.49Å; I47-W205 HydrophobicContact CB-CH2 3.96Å; I47-W205 HydrophobicContact CB-CZ2 3.92Å; I47-W205 HydrophobicContact CG1-CH2 4.22Å; I47-W205 HydrophobicContact CG2-CH2 3.84Å; I47-W205 HydrophobicContact CG2-CZ2 3.89Å; E48-W205 PolarHBondContact OE1-NE1 2.84Å; F71-W205 AromaticContact CD2-NE1 3.88Å; M72-W205 PolarHBondContact O-N 3.32Å; R73-W205 WeakPolarHBondContact CA-O 3.35Å; R73-W205 HydrophobicContact CG-CB 4.18Å; M74-W205 PolarHBondContact N-O 3.25Å; W205-Y250 HydrophobicContact CZ3-CD2 4.11Å; W205-D251 CarbonylContact C-O 3.53Å; W205-D251 WeakPolarHBondContact CA-O 3.41Å; W205-L252 HydrophobicContact CD2-CD1 3.96Å; W205-L252 HydrophobicContact CE3-CB 3.94Å; W205-L252 HydrophobicContact CE3-CD1 4.17Å; W205-L252 HydrophobicContact CH2-CB 3.93Å; W205-L252 HydrophobicContact CH2-CD1 4.16Å; W205-L252 HydrophobicContact CH2-CD2 4.33Å; W205-L252 HydrophobicContact CH2-CG 4.36Å; W205-L252 HydrophobicContact CZ2-CD1 3.92Å; W205-L252 HydrophobicContact CZ3-CB 3.59Å; W205-L252 HydrophobicContact CZ3-CD1 4.29Å; W205-L252 HydrophobicContact CZ3-CG 4.41Å; W205-I304 HydrophobicContact CH2-CD1 3.65Å; W205-I304 HydrophobicContact CZ3-CD1 3.67Å
206I98.3Very high94.4Very high0 Ų047.1 Ų47.10%024%0.244CC..EExtended strand (participates in β ladder)trans-102.4133.3165.9-54.2-68.9000107.9M74 A79 D86 P88 L204 F209 Y250 D251 V253M74-I206 HydrophobicContact CB-CD1 3.94Å; M74-I206 HydrophobicContact CG-CD1 4.29Å; M74-I206 VanDerWaalsContact O-CA 3.29Å; M74-I206 WeakPolarHBondContact O-CA 3.34Å; M74-I206 HydrophobicContact SD-CD1 4.26Å; A79-I206 HydrophobicContact CB-CD1 3.79Å; D86-I206 WeakPolarHBondContact O-CG1 3.43Å; P88-I206 HydrophobicContact CG-CD1 4.01Å; L204-I206 HydrophobicContact CD1-CD1 3.25Å; L204-I206 HydrophobicContact CD1-CG1 3.63Å; I206-F209 HydrophobicContact CB-CE2 4.03Å; I206-F209 HydrophobicContact CB-CZ 3.79Å; I206-F209 HydrophobicContact CG2-CD2 4.47Å; I206-F209 HydrophobicContact CG2-CE1 3.93Å; I206-F209 HydrophobicContact CG2-CE2 3.63Å; I206-F209 HydrophobicContact CG2-CZ 3.3Å; I206-F209 WeakPolarHBondContact O-CE2 3.42Å; I206-Y250 CarbonylContact O-C 3.51Å; I206-Y250 WeakPolarHBondContact O-CA 3.33Å; I206-D251 PolarHBondContact N-O 2.81Å; I206-D251 PolarHBondContact O-N 3.37Å; I206-V253 HydrophobicContact CG1-CG2 3.95Å
207N97.6Very high94.1Very high25 Ų2553.4 Ų53.413%0.13428%0.277CS..EExtended strand (participates in β ladder)trans-143.8-177.5-18065.624.6000111.7M74 Q75 Y76 F209M74-N207 PolarHBondContact O-N 2.83Å; M74-N207 VanDerWaalsContact O-N 3.1Å; Q75-N207 CarbonylContact C-O 3.58Å; Q75-N207 WeakPolarHBondContact CA-O 3.45Å; Y76-N207 PolarHBondContact N-O 2.86Å; N207-F209 VanDerWaalsContact C-N 3.26Å; N207-F209 PolarHBondContact O-N 2.93Å
208Q96Very high93.8Very high87 Ų8753.7 Ų53.741%0.40729%0.291SS..  trans55.740.5-180-59.9-170.120.600113.8Q75 I246Q75-Q208 VanDerWaalsContact CD-OE1 3.31Å; Q75-Q208 HydrophobicContact CG-CB 4.41Å; Q75-Q208 HydrophobicContact CG-CG 4.38Å; Q208-I246 HydrophobicContact CB-CG2 3.85Å; Q208-I246 HydrophobicContact CG-CG2 4.3Å
209F97.1Very high93.8Very high4 Ų454.9 Ų54.92%0.01829%0.294CS..  trans-68.4151172.5-68.3-98.2000111.5Y76 D86 I206 N207 L211 G247 H249 D251Y76-F209 AromaticContact CD2-CD1 3.25Å; Y76-F209 HydrophobicContact CD2-CD1 3.25Å; Y76-F209 AromaticContact CD2-CE1 3.51Å; Y76-F209 HydrophobicContact CD2-CE1 3.51Å; Y76-F209 HydrophobicContact CD2-CG 4.17Å; Y76-F209 AromaticContact CE2-CD1 3.94Å; Y76-F209 HydrophobicContact CE2-CD1 3.94Å; Y76-F209 HydrophobicContact CE2-CE1 4.21Å; Y76-F209 AromaticContact CG-CD1 3.78Å; Y76-F209 HydrophobicContact CG-CD1 3.78Å; Y76-F209 HydrophobicContact CG-CE1 4.33Å; Y76-F209 HydrophobicContact CG-CG 4.28Å; D86-F209 HydrophobicContact CB-CE1 4.14Å; I206-F209 HydrophobicContact CB-CE2 4.03Å; I206-F209 HydrophobicContact CB-CZ 3.79Å; I206-F209 HydrophobicContact CG2-CD2 4.47Å; I206-F209 HydrophobicContact CG2-CE1 3.93Å; I206-F209 HydrophobicContact CG2-CE2 3.63Å; I206-F209 HydrophobicContact CG2-CZ 3.3Å; I206-F209 WeakPolarHBondContact O-CE2 3.42Å; N207-F209 VanDerWaalsContact C-N 3.26Å; N207-F209 PolarHBondContact O-N 2.93Å; F209-L211 PolarHBondContact O-N 3.24Å; F209-G247 PolarHBondContact O-N 3.48Å; F209-H249 WeakPolarHBondContact CB-CE1 3.21Å; F209-H249 WeakPolarHBondContact CB-NE2 3.36Å; F209-H249 AromaticContact CD1-NE2 3.87Å; F209-H249 AromaticContact CD2-CD2 3.45Å; F209-H249 VanDerWaalsContact CD2-CD2 3.45Å; F209-H249 WeakPolarHBondContact CD2-CD2 3.21Å; F209-H249 AromaticContact CD2-NE2 3.77Å; F209-H249 AromaticContact CG-CD2 3.53Å; F209-H249 AromaticContact CG-CE1 3.97Å; F209-H249 AromaticContact CG-NE2 3.31Å; F209-H249 VanDerWaalsContact CG-NE2 3.31Å; F209-H249 WeakPolarHBondContact CG-NE2 3.48Å; F209-D251 HydrophobicContact CE2-CB 4.38Å; F209-D251 HydrophobicContact CZ-CB 4.04Å; F209-D251 VanDerWaalsContact CZ-OD2 3.31Å; F209-D251 WeakPolarHBondContact CZ-OD2 3.18Å
210P96.4Very high94Very high44 Ų4452.2 Ų52.229%0.28627%0.27SS..BIsolated β-bridgetrans-55.6137.3165.1-20.131.6000110.2Y76 V223 H249Y76-P210 VanDerWaalsContact CD1-CD 3.47Å; Y76-P210 HydrophobicContact CD1-CG 4.14Å; Y76-P210 HydrophobicContact CE1-CG 3.94Å; P210-V223 HydrophobicContact CB-CG2 4.43Å; P210-V223 VanDerWaalsContact O-CB 3.29Å; P210-V223 WeakPolarHBondContact O-CB 3.36Å; P210-V223 WeakPolarHBondContact O-CG2 3.5Å; P210-H249 PolarHBondContact O-CE1 2.92Å
211L96.7Very high94.2Very high6 Ų656.4 Ų56.43%0.03128%0.282CS..SBendtrans-74.5-35.2178.7-174.957.6000111.7F209 V223 T228 A230 L238 V245F209-L211 PolarHBondContact O-N 3.24Å; L211-V223 PolarHBondContact O-N 2.96Å; L211-V223 VanDerWaalsContact O-N 3.09Å; L211-T228 HydrophobicContact CD1-CG2 3.55Å; L211-A230 HydrophobicContact CD2-CB 4.07Å; L211-L238 HydrophobicContact CD2-CD2 4.18Å; L211-V245 HydrophobicContact CB-CB 4.17Å; L211-V245 HydrophobicContact CB-CG1 3.89Å; L211-V245 WeakPolarHBondContact CB-O 3.2Å; L211-V245 HydrophobicContact CD2-CG1 3.59Å; L211-V245 HydrophobicContact CG-CG1 4.39Å; L211-V245 PolarHBondContact N-O 2.83Å
212F96.2Very high94.3Very high9 Ų955.8 Ų55.84%0.03928%0.281CS..EExtended strand (participates in β ladder)trans-128.7142.8-177.6-53.6-73.7000111.8W220 K221 L238 P242 V275 I279 L280F212-W220 HydrophobicContact CB-CD2 4.46Å; F212-W220 HydrophobicContact CB-CE3 3.68Å; F212-W220 HydrophobicContact CB-CZ3 4.17Å; F212-K221 CarbonylContact C-O 3.58Å; F212-K221 VanDerWaalsContact CA-O 3.29Å; F212-K221 WeakPolarHBondContact CA-O 3.38Å; F212-L238 HydrophobicContact CE2-CD2 3.76Å; F212-L238 HydrophobicContact CZ-CD2 4.24Å; F212-P242 HydrophobicContact CD2-CB 3.92Å; F212-V275 HydrophobicContact CE1-CG1 4.02Å; F212-V275 HydrophobicContact CZ-CG1 3.99Å; F212-V275 HydrophobicContact CZ-CG2 4.26Å; F212-I279 HydrophobicContact CD1-CG2 3.92Å; F212-I279 HydrophobicContact CD2-CG2 4.25Å; F212-I279 HydrophobicContact CE1-CG2 3.82Å; F212-I279 HydrophobicContact CE2-CD1 3.8Å; F212-I279 HydrophobicContact CE2-CG2 4.15Å; F212-I279 HydrophobicContact CG-CG2 4.13Å; F212-I279 HydrophobicContact CZ-CD1 3.8Å; F212-I279 HydrophobicContact CZ-CG2 3.95Å; F212-L280 HydrophobicContact CD1-CD2 3.99Å; F212-L280 HydrophobicContact CE1-CD2 4.02Å; F212-L280 HydrophobicContact CE1-CG 4.37Å
213E93.3Very high94.2Very high68 Ų6855.7 Ų55.732%0.31828%0.284SS..EExtended strand (participates in β ladder)trans-119.7152.6169.862.5178.6-168.700109.6W220 K221 V223E213-W220 CarbonylContact O-C 3.43Å; E213-W220 WeakPolarHBondContact O-CA 3.31Å; E213-K221 HydrophobicContact CG-CB 4.28Å; E213-K221 PolarHBondContact N-O 3.34Å; E213-K221 PolarHBondContact O-N 2.96Å; E213-K221 IonicContact OE1-NZ 3.41Å; E213-K221 PolarHBondContact OE1-NZ 3.19Å; E213-V223 HydrophobicContact CB-CG2 3.96Å; E213-V223 HydrophobicContact CG-CG2 4.06Å
214K92.5Very high93.8Very high127 Ų12758.4 Ų58.455%0.55230%0.297SS*.EExtended strand (participates in β ladder)trans-90132.2168.5-75.5-176.3178.9173.90109.3K219 W220K214-K219 CarbonylContact C-O 3.38Å; K214-K219 WeakPolarHBondContact CA-O 3.25Å; K214-W220 HydrophobicContact CD-CH2 4.4Å; K214-W220 HydrophobicContact CD-CZ2 4.5Å; K214-W220 HydrophobicContact CD-CZ3 4.49Å; K214-W220 HydrophobicContact CG-CD2 4Å; K214-W220 HydrophobicContact CG-CE3 3.68Å; K214-W220 HydrophobicContact CG-CH2 4.16Å; K214-W220 HydrophobicContact CG-CZ2 4.44Å; K214-W220 HydrophobicContact CG-CZ3 3.78Å
215N89.2Confident93.5Very high59 Ų5960.4 Ų60.432%0.31631%0.306SS..  trans-73.4175.5168.169.715.3000111.3L217 G218 K219N215-L217 PolarHBondContact O-N 3.25Å; N215-L217 WeakPolarHBondContact OD1-CA 3.34Å; N215-L217 WeakPolarHBondContact OD1-CB 3.25Å; N215-L217 PolarHBondContact OD1-N 2.93Å; N215-G218 PolarHBondContact O-N 2.89Å; N215-G218 PolarHBondContact OD1-N 3.09Å; N215-K219 PolarHBondContact N-O 2.9Å; N215-K219 PolarHBondContact OD1-N 3.46Å; N215-K219 PolarHBondContact OD1-O 3.05Å
216N86.4Confident93.3Very high175 Ų17561.7 Ų61.794%0.93632%0.315SS*.THydrogen-bonded Turntrans-59.5-16.1178.6-62.9-9.7000114.1
217L89.4Confident93.1Very high143 Ų14364.4 Ų64.475%0.74933%0.326SS*.THydrogen-bonded Turntrans-93.73.7176.1-57173.9000112.6N215 K219N215-L217 PolarHBondContact O-N 3.25Å; N215-L217 WeakPolarHBondContact OD1-CA 3.34Å; N215-L217 WeakPolarHBondContact OD1-CB 3.25Å; N215-L217 PolarHBondContact OD1-N 2.93Å; L217-K219 VanDerWaalsContact C-N 3.25Å; L217-K219 PolarHBondContact O-N 3.47Å
218G89Confident93.1Very high44 Ų4463.4 Ų63.445%0.45432%0.321SS..SBendtrans74.58.6-177.900000114.8N215N215-G218 PolarHBondContact O-N 2.89Å; N215-G218 PolarHBondContact OD1-N 3.09Å
219K92.6Very high93.2Very high140 Ų14059.8 Ų59.861%0.60931%0.307SS*.  trans-85141.9175.1-62-174.7177.9-176.60110.3K214 N215 L217K214-K219 CarbonylContact C-O 3.38Å; K214-K219 WeakPolarHBondContact CA-O 3.25Å; N215-K219 PolarHBondContact N-O 2.9Å; N215-K219 PolarHBondContact OD1-N 3.46Å; N215-K219 PolarHBondContact OD1-O 3.05Å; L217-K219 VanDerWaalsContact C-N 3.25Å; L217-K219 PolarHBondContact O-N 3.47Å
220W94.2Very high93.2Very high57 Ų5760.5 Ų60.522%0.21631%0.313CS..EExtended strand (participates in β ladder)trans-67.6144.5172.8-63.2113.6000111.1F212 E213 K214 P242 I279F212-W220 HydrophobicContact CB-CD2 4.46Å; F212-W220 HydrophobicContact CB-CE3 3.68Å; F212-W220 HydrophobicContact CB-CZ3 4.17Å; E213-W220 CarbonylContact O-C 3.43Å; E213-W220 WeakPolarHBondContact O-CA 3.31Å; K214-W220 HydrophobicContact CD-CH2 4.4Å; K214-W220 HydrophobicContact CD-CZ2 4.5Å; K214-W220 HydrophobicContact CD-CZ3 4.49Å; K214-W220 HydrophobicContact CG-CD2 4Å; K214-W220 HydrophobicContact CG-CE3 3.68Å; K214-W220 HydrophobicContact CG-CH2 4.16Å; K214-W220 HydrophobicContact CG-CZ2 4.44Å; K214-W220 HydrophobicContact CG-CZ3 3.78Å; W220-P242 HydrophobicContact CD2-CB 4.18Å; W220-P242 HydrophobicContact CE3-CB 4.41Å; W220-P242 HydrophobicContact CH2-CB 4.08Å; W220-P242 HydrophobicContact CZ2-CB 3.82Å; W220-P242 HydrophobicContact CZ2-CG 4.15Å; W220-P242 HydrophobicContact CZ3-CB 4.35Å; W220-I279 HydrophobicContact CB-CG2 3.98Å; W220-I279 HydrophobicContact CG-CG2 4.1Å
221K94.1Very high93.2Very high107 Ų10758.7 Ų58.747%0.46530%0.301SS..EExtended strand (participates in β ladder)trans-139.6146.8173.4-177.3-168.3157.6-142.40107.5F212 E213F212-K221 CarbonylContact C-O 3.58Å; F212-K221 VanDerWaalsContact CA-O 3.29Å; F212-K221 WeakPolarHBondContact CA-O 3.38Å; E213-K221 HydrophobicContact CG-CB 4.28Å; E213-K221 PolarHBondContact N-O 3.34Å; E213-K221 PolarHBondContact O-N 2.96Å; E213-K221 IonicContact OE1-NZ 3.41Å; E213-K221 PolarHBondContact OE1-NZ 3.19Å
222S93.8Very high93.1Very high14 Ų1463.1 Ų63.110%0.09833%0.33CS..EExtended strand (participates in β ladder)trans-68.4136.7170.958.40000111.1
223V92.3Very high93Very high47 Ų4769 Ų6929%0.28536%0.358SS..SBendtrans-69.6-42.4176.3171.80000111.6P210 L211 E213P210-V223 HydrophobicContact CB-CG2 4.43Å; P210-V223 VanDerWaalsContact O-CB 3.29Å; P210-V223 WeakPolarHBondContact O-CB 3.36Å; P210-V223 WeakPolarHBondContact O-CG2 3.5Å; L211-V223 PolarHBondContact O-N 2.96Å; L211-V223 VanDerWaalsContact O-N 3.09Å; E213-V223 HydrophobicContact CB-CG2 3.96Å; E213-V223 HydrophobicContact CG-CG2 4.06Å
224H89.1Confident93.2Very high70 Ų7066.5 Ų66.532%0.32435%0.348SS..SBendtrans-103.1-76.7177.3-172.874000111.7H249H224-H249 HydrophobicContact CB-CB 4.35Å
225H91.1Very high93.3Very high42 Ų4262 Ų6219%0.19433%0.334CS..  trans-151.5163.7170.563.237.5000110.8F227 T228 S263 R265H225-F227 PolarHBondContact ND1-N 2.57Å; H225-F227 VanDerWaalsContact ND1-N 3.2Å; H225-F227 PolarHBondContact O-N 3Å; H225-T228 PolarHBondContact CE1-N 2.89Å; H225-T228 PolarHBondContact CE1-OG1 3.45Å; H225-T228 PolarHBondContact ND1-N 3.03Å; H225-T228 PolarHBondContact ND1-OG1 3.06Å; H225-T228 PolarHBondContact O-N 2.86Å; H225-T228 PolarHBondContact O-OG1 2.85Å; H225-S263 PolarHBondContact CE1-OG 2.95Å; H225-S263 VanDerWaalsContact CE1-OG 3.29Å; H225-R265 PolarHBondContact CE1-NH1 3.3Å; H225-R265 PolarHBondContact NE2-NH1 3.47Å
226P93.2Very high93.6Very high28 Ų2864.5 Ų64.518%0.18234%0.343CS..THydrogen-bonded Turntrans-63.4-14.4-175-2737.2000116.4Q272 F276 L280P226-Q272 PolarHBondContact O-NE2 2.9Å; P226-F276 HydrophobicContact CB-CD1 4.31Å; P226-F276 HydrophobicContact CB-CE1 3.51Å; P226-F276 HydrophobicContact CB-CZ 4.23Å; P226-F276 HydrophobicContact CG-CE1 4.33Å; P226-L280 HydrophobicContact CB-CD1 3.75Å; P226-L280 HydrophobicContact CG-CD1 4.04Å
227F95.3Very high94Very high56 Ų5658.9 Ų58.925%0.24631%0.311CS..THydrogen-bonded Turntrans-94.14.4-176.1-46.7-69.1000114H225 R265 V266 F276 M287 F290H225-F227 PolarHBondContact ND1-N 2.57Å; H225-F227 VanDerWaalsContact ND1-N 3.2Å; H225-F227 PolarHBondContact O-N 3Å; F227-R265 CarbonylContact O-C 3.59Å; F227-R265 VanDerWaalsContact O-CA 3.25Å; F227-R265 WeakPolarHBondContact O-CA 3.47Å; F227-V266 PolarHBondContact O-N 2.99Å; F227-F276 HydrophobicContact CD1-CZ 4.11Å; F227-F276 HydrophobicContact CE1-CE1 4.5Å; F227-F276 HydrophobicContact CE1-CE2 4.28Å; F227-F276 AromaticContact CE1-CZ 3.54Å; F227-F276 HydrophobicContact CE1-CZ 3.54Å; F227-F276 HydrophobicContact CZ-CZ 4.24Å; F227-M287 HydrophobicContact CZ-SD 4.46Å; F227-F290 HydrophobicContact CD1-CD1 4.16Å; F227-F290 AromaticContact CD1-CE1 3.45Å; F227-F290 HydrophobicContact CD1-CE1 3.45Å; F227-F290 VanDerWaalsContact CD1-CE1 3.45Å; F227-F290 AromaticContact CD1-CZ 3.83Å; F227-F290 HydrophobicContact CD1-CZ 3.83Å; F227-F290 AromaticContact CE1-CD1 3.79Å; F227-F290 HydrophobicContact CE1-CD1 3.79Å; F227-F290 AromaticContact CE1-CE1 3.56Å; F227-F290 HydrophobicContact CE1-CE1 3.56Å; F227-F290 HydrophobicContact CE1-CG 4.49Å; F227-F290 HydrophobicContact CE1-CZ 4.11Å
228T97.4Very high94.3Very high4 Ų452.4 Ų52.43%0.02528%0.277CS..BIsolated β-bridgetrans-74.4128.4-176-63.40000110.7L211 H225 H249 S263 V266L211-T228 HydrophobicContact CD1-CG2 3.55Å; H225-T228 PolarHBondContact CE1-N 2.89Å; H225-T228 PolarHBondContact CE1-OG1 3.45Å; H225-T228 PolarHBondContact ND1-N 3.03Å; H225-T228 PolarHBondContact ND1-OG1 3.06Å; H225-T228 PolarHBondContact O-N 2.86Å; H225-T228 PolarHBondContact O-OG1 2.85Å; T228-H249 HydrophobicContact CG2-CB 3.94Å; T228-S263 PolarHBondContact OG1-OG 3.24Å; T228-V266 WeakPolarHBondContact O-CG2 3.46Å
229A97.3Very high94.5Very high12 Ų1256 Ų5610%0.09928%0.278CS..PPolyproline II helixtrans-69.8143.5175.600000111.8L248 I264 V266A229-L248 HydrophobicContact CB-CD1 4.17Å; A229-L248 PolarHBondContact O-N 2.93Å; A229-I264 HydrophobicContact CB-CB 4.26Å; A229-I264 HydrophobicContact CB-CG2 4.03Å; A229-I264 PolarHBondContact N-O 3.31Å; A229-V266 HydrophobicContact CB-CG2 4.38Å
230A97.1Very high94.6Very high18 Ų1854.3 Ų54.315%0.14928%0.279CS..BIsolated β-bridgetrans-73.7152.616800000111L211 A235 L238 V245 I246 L248L211-A230 HydrophobicContact CD2-CB 4.07Å; A230-A235 HydrophobicContact CB-CB 4.1Å; A230-L238 HydrophobicContact CB-CD1 3.97Å; A230-L238 HydrophobicContact CB-CG 4.32Å; A230-V245 HydrophobicContact CB-CG1 3.51Å; A230-I246 CarbonylContact C-O 3.52Å; A230-I246 WeakPolarHBondContact CA-O 3.39Å; A230-L248 WeakPolarHBondContact O-CD1 3.18Å
231S96Very high94.6Very high6 Ų653.7 Ų53.74%0.04228%0.28CS..PPolyproline II helixtrans-64.6141.9171.197.40000109.7E233 T234 A235 I246S231-E233 WeakPolarHBondContact CB-OE2 3.42Å; S231-E233 PolarHBondContact O-N 2.9Å; S231-E233 VanDerWaalsContact O-N 3.13Å; S231-E233 PolarHBondContact OG-OE2 3.21Å; S231-T234 PolarHBondContact O-N 3.44Å; S231-T234 VanDerWaalsContact O-N 3.08Å; S231-T234 PolarHBondContact OG-N 2.75Å; S231-T234 PolarHBondContact OG-OG1 2.92Å; S231-A235 WeakPolarHBondContact O-CB 3.49Å; S231-A235 PolarHBondContact O-N 2.95Å; S231-I246 PolarHBondContact N-O 3.3Å
232P95Very high94.6Very high99 Ų9949.5 Ų49.564%0.64326%0.264SS*.THydrogen-bonded Turntrans-55-33.7179.7-26.735.8000113.3T234P232-T234 PolarHBondContact O-N 3.44Å
233E95.3Very high94.7Very high133 Ų13352.2 Ų52.262%0.62128%0.283SS*.THydrogen-bonded Turntrans-69.6-32.6-178.4-51.972.4-153.800112.1S231 H236S231-E233 WeakPolarHBondContact CB-OE2 3.42Å; S231-E233 PolarHBondContact O-N 2.9Å; S231-E233 VanDerWaalsContact O-N 3.13Å; S231-E233 PolarHBondContact OG-OE2 3.21Å; E233-H236 PolarHBondContact O-CE1 3.07Å; E233-H236 PolarHBondContact O-ND1 3.27Å; E233-H236 VanDerWaalsContact O-ND1 3.08Å
234T96.2Very high94.8Very high16 Ų1655.1 Ų55.110%0.09829%0.292CS..THydrogen-bonded Turntrans-111.6-3.5-174.863.80000113.9S231 P232 H236 F237 I246S231-T234 PolarHBondContact O-N 3.44Å; S231-T234 VanDerWaalsContact O-N 3.08Å; S231-T234 PolarHBondContact OG-N 2.75Å; S231-T234 PolarHBondContact OG-OG1 2.92Å; P232-T234 PolarHBondContact O-N 3.44Å; T234-H236 PolarHBondContact O-N 2.93Å; T234-H236 VanDerWaalsContact O-N 3.14Å; T234-F237 WeakPolarHBondContact O-CB 3.36Å; T234-F237 PolarHBondContact O-N 2.94Å; T234-I246 HydrophobicContact CG2-CB 4.16Å; T234-I246 HydrophobicContact CG2-CD1 3.88Å; T234-I246 HydrophobicContact CG2-CG1 3.96Å; T234-I246 PolarHBondContact OG1-N 3.12Å; T234-I246 PolarHBondContact OG1-O 3.23Å
235A95Very high95.2Very high32 Ų3251.9 Ų51.926%0.26428%0.277SS..G310 helixtrans-56.6-32.4-178.900000113.4A230 S231 F237 L238A230-A235 HydrophobicContact CB-CB 4.1Å; S231-A235 WeakPolarHBondContact O-CB 3.49Å; S231-A235 PolarHBondContact O-N 2.95Å; A235-F237 PolarHBondContact O-N 2.8Å; A235-L238 VanDerWaalsContact O-CB 3.23Å; A235-L238 WeakPolarHBondContact O-CB 3.45Å; A235-L238 WeakPolarHBondContact O-CD1 3.15Å; A235-L238 VanDerWaalsContact O-CG 3.28Å; A235-L238 WeakPolarHBondContact O-CG 3.43Å; A235-L238 PolarHBondContact O-N 2.91Å; A235-L238 VanDerWaalsContact O-N 3.08Å
236H95.2Very high95.5Very high111 Ų11152.1 Ų52.151%0.51428%0.279SS..G310 helixtrans-63.5-23.5177.267.3-83.4000113.4E233 T234 L238E233-H236 PolarHBondContact O-CE1 3.07Å; E233-H236 PolarHBondContact O-ND1 3.27Å; E233-H236 VanDerWaalsContact O-ND1 3.08Å; T234-H236 PolarHBondContact O-N 2.93Å; T234-H236 VanDerWaalsContact O-N 3.14Å; H236-L238 VanDerWaalsContact C-N 3.26Å; H236-L238 PolarHBondContact O-N 2.84Å
237F96.4Very high95.7Very high58 Ų5850.9 Ų50.925%0.25427%0.272SS..G310 helixtrans-74.1-13.4175.3-69.4-62.4000113.6T234 A235 Y239 T240 D241 K244 V245T234-F237 WeakPolarHBondContact O-CB 3.36Å; T234-F237 PolarHBondContact O-N 2.94Å; A235-F237 PolarHBondContact O-N 2.8Å; F237-Y239 PolarHBondContact O-N 2.85Å; F237-Y239 VanDerWaalsContact O-N 3.16Å; F237-T240 WeakPolarHBondContact CA-OG1 3.5Å; F237-T240 PolarHBondContact O-N 2.79Å; F237-T240 VanDerWaalsContact O-N 3.09Å; F237-D241 CarbonylContact O-C 3.54Å; F237-D241 VanDerWaalsContact O-C 3.22Å; F237-D241 PolarHBondContact O-N 2.87Å; F237-K244 HydrophobicContact CB-CB 4.03Å; F237-K244 HydrophobicContact CD1-CB 4.16Å; F237-K244 HydrophobicContact CD1-CD 3.9Å; F237-K244 HydrophobicContact CD2-CB 3.73Å; F237-K244 HydrophobicContact CD2-CD 4.46Å; F237-K244 HydrophobicContact CE1-CD 3.71Å; F237-K244 HydrophobicContact CE2-CB 4.19Å; F237-K244 HydrophobicContact CE2-CD 4.28Å; F237-K244 HydrophobicContact CG-CB 3.72Å; F237-K244 HydrophobicContact CG-CD 4.28Å; F237-K244 HydrophobicContact CZ-CD 3.92Å; F237-V245 HydrophobicContact CB-CG2 3.76Å
238L94.4Very high95.7Very high7 Ų750.2 Ų50.24%0.03727%0.27CS..G310 helixtrans-52-40.3176-76.7167.9000112.2L211 F212 A230 A235 H236 V245 V271 Y274 V275 I279L211-L238 HydrophobicContact CD2-CD2 4.18Å; F212-L238 HydrophobicContact CE2-CD2 3.76Å; F212-L238 HydrophobicContact CZ-CD2 4.24Å; A230-L238 HydrophobicContact CB-CD1 3.97Å; A230-L238 HydrophobicContact CB-CG 4.32Å; A235-L238 VanDerWaalsContact O-CB 3.23Å; A235-L238 WeakPolarHBondContact O-CB 3.45Å; A235-L238 WeakPolarHBondContact O-CD1 3.15Å; A235-L238 VanDerWaalsContact O-CG 3.28Å; A235-L238 WeakPolarHBondContact O-CG 3.43Å; A235-L238 PolarHBondContact O-N 2.91Å; A235-L238 VanDerWaalsContact O-N 3.08Å; H236-L238 VanDerWaalsContact C-N 3.26Å; H236-L238 PolarHBondContact O-N 2.84Å; L238-V245 HydrophobicContact CD2-CG1 3.95Å; L238-V245 HydrophobicContact CD2-CG2 4.12Å; L238-V245 HydrophobicContact CG-CG1 4.17Å; L238-V245 HydrophobicContact CG-CG2 4.17Å; L238-V271 HydrophobicContact CD1-CG1 4.09Å; L238-Y274 WeakPolarHBondContact O-CE1 3.42Å; L238-V275 HydrophobicContact CD2-CG2 4.43Å; L238-I279 HydrophobicContact CD2-CD1 3.91Å
239Y94.3Very high95.6Very high118 Ų11850.2 Ų50.246%0.46327%0.27SS..G310 helixtrans-91.7-1.9-175-52-71.9000114.2F237 Y274F237-Y239 PolarHBondContact O-N 2.85Å; F237-Y239 VanDerWaalsContact O-N 3.16Å; Y239-Y274 AromaticContact CD1-CD1 3.81Å; Y239-Y274 HydrophobicContact CD1-CD1 3.81Å; Y239-Y274 AromaticContact CD1-CD2 3.92Å; Y239-Y274 HydrophobicContact CD1-CD2 3.92Å; Y239-Y274 AromaticContact CD1-CE1 3.54Å; Y239-Y274 HydrophobicContact CD1-CE1 3.54Å; Y239-Y274 AromaticContact CD1-CE2 3.65Å; Y239-Y274 HydrophobicContact CD1-CE2 3.65Å; Y239-Y274 HydrophobicContact CD1-CG 4.01Å; Y239-Y274 AromaticContact CD1-CZ 3.47Å; Y239-Y274 VanDerWaalsContact CD1-CZ 3.47Å; Y239-Y274 AromaticContact CE1-CD1 3.72Å; Y239-Y274 HydrophobicContact CE1-CD1 3.72Å; Y239-Y274 AromaticContact CE1-CD2 3.83Å; Y239-Y274 HydrophobicContact CE1-CD2 3.83Å; Y239-Y274 AromaticContact CE1-CE1 3.97Å; Y239-Y274 HydrophobicContact CE1-CE1 3.97Å; Y239-Y274 HydrophobicContact CE1-CE2 4.07Å; Y239-Y274 AromaticContact CE1-CG 3.66Å; Y239-Y274 HydrophobicContact CE1-CG 3.66Å; Y239-Y274 HydrophobicContact CG-CE1 4.45Å
240T94.3Very high95.7Very high106 Ų10649.7 Ų49.765%0.6527%0.265SS*.THydrogen-bonded Turntrans-129.4-54.4-173.851.60000112.6F237F237-T240 WeakPolarHBondContact CA-OG1 3.5Å; F237-T240 PolarHBondContact O-N 2.79Å; F237-T240 VanDerWaalsContact O-N 3.09Å
241D94.7Very high95.7Very high43 Ų4349.5 Ų49.523%0.2326%0.262CS..  trans-144.490.1-176.2-176.6-2.4000111.2F237 S243 K244F237-D241 CarbonylContact O-C 3.54Å; F237-D241 VanDerWaalsContact O-C 3.22Å; F237-D241 PolarHBondContact O-N 2.87Å; D241-S243 PolarHBondContact O-N 2.92Å; D241-S243 PolarHBondContact OD1-N 3.29Å; D241-S243 PolarHBondContact OD1-OG 3.47Å; D241-K244 HydrophobicContact CB-CD 4.41Å; D241-K244 PolarHBondContact O-N 2.92Å; D241-K244 VanDerWaalsContact O-N 3.09Å; D241-K244 WeakPolarHBondContact OD2-CE 3.15Å; D241-K244 IonicContact OD2-NZ 2.75Å; D241-K244 PolarHBondContact OD2-NZ 2.84Å
242P94.3Very high95.8Very high19 Ų1949.3 Ų49.312%0.12326%0.26CS..G310 helixtrans-58.2-21.2-177.3-27.635.5000115.4F212 W220 K244 V245 I279F212-P242 HydrophobicContact CD2-CB 3.92Å; W220-P242 HydrophobicContact CD2-CB 4.18Å; W220-P242 HydrophobicContact CE3-CB 4.41Å; W220-P242 HydrophobicContact CH2-CB 4.08Å; W220-P242 HydrophobicContact CZ2-CB 3.82Å; W220-P242 HydrophobicContact CZ2-CG 4.15Å; W220-P242 HydrophobicContact CZ3-CB 4.35Å; P242-K244 PolarHBondContact O-N 2.85Å; P242-V245 PolarHBondContact O-N 2.89Å; P242-I279 HydrophobicContact CB-CG2 4.31Å; P242-I279 HydrophobicContact CG-CD1 4.46Å; P242-I279 HydrophobicContact CG-CG1 4.49Å; P242-I279 HydrophobicContact CG-CG2 4.38Å
243S94.3Very high96Very high71 Ų7144.6 Ų44.650%0.49723%0.23SC..G310 helixtrans-68.6-19177.150.30000114.3D241D241-S243 PolarHBondContact O-N 2.92Å; D241-S243 PolarHBondContact OD1-N 3.29Å; D241-S243 PolarHBondContact OD1-OG 3.47Å
244K95.5Very high96Very high109 Ų10938.3 Ų38.347%0.47420%0.2SC..G310 helixtrans-91.8-4.1179.6-68.2-179.5177.6123.80113.3F237 D241 P242 I246F237-K244 HydrophobicContact CB-CB 4.03Å; F237-K244 HydrophobicContact CD1-CB 4.16Å; F237-K244 HydrophobicContact CD1-CD 3.9Å; F237-K244 HydrophobicContact CD2-CB 3.73Å; F237-K244 HydrophobicContact CD2-CD 4.46Å; F237-K244 HydrophobicContact CE1-CD 3.71Å; F237-K244 HydrophobicContact CE2-CB 4.19Å; F237-K244 HydrophobicContact CE2-CD 4.28Å; F237-K244 HydrophobicContact CG-CB 3.72Å; F237-K244 HydrophobicContact CG-CD 4.28Å; F237-K244 HydrophobicContact CZ-CD 3.92Å; D241-K244 HydrophobicContact CB-CD 4.41Å; D241-K244 PolarHBondContact O-N 2.92Å; D241-K244 VanDerWaalsContact O-N 3.09Å; D241-K244 WeakPolarHBondContact OD2-CE 3.15Å; D241-K244 IonicContact OD2-NZ 2.75Å; D241-K244 PolarHBondContact OD2-NZ 2.84Å; P242-K244 PolarHBondContact O-N 2.85Å; K244-I246 PolarHBondContact O-N 2.94Å
245V97Very high95.9Very high1 Ų138.4 Ų38.41%0.00620%0.2CC..PPolyproline II helixtrans-80.2122.5-175.9-173.30000109.3L211 A230 F237 L238 P242L211-V245 HydrophobicContact CB-CB 4.17Å; L211-V245 HydrophobicContact CB-CG1 3.89Å; L211-V245 WeakPolarHBondContact CB-O 3.2Å; L211-V245 HydrophobicContact CD2-CG1 3.59Å; L211-V245 HydrophobicContact CG-CG1 4.39Å; L211-V245 PolarHBondContact N-O 2.83Å; A230-V245 HydrophobicContact CB-CG1 3.51Å; F237-V245 HydrophobicContact CB-CG2 3.76Å; L238-V245 HydrophobicContact CD2-CG1 3.95Å; L238-V245 HydrophobicContact CD2-CG2 4.12Å; L238-V245 HydrophobicContact CG-CG1 4.17Å; L238-V245 HydrophobicContact CG-CG2 4.17Å; P242-V245 PolarHBondContact O-N 2.89Å
246I97.2Very high95.9Very high48 Ų4837.9 Ų37.925%0.24620%0.198CC..BIsolated β-bridgetrans-93.1131.8174.3-64174.3000108Q208 A230 S231 T234 K244Q208-I246 HydrophobicContact CB-CG2 3.85Å; Q208-I246 HydrophobicContact CG-CG2 4.3Å; A230-I246 CarbonylContact C-O 3.52Å; A230-I246 WeakPolarHBondContact CA-O 3.39Å; S231-I246 PolarHBondContact N-O 3.3Å; T234-I246 HydrophobicContact CG2-CB 4.16Å; T234-I246 HydrophobicContact CG2-CD1 3.88Å; T234-I246 HydrophobicContact CG2-CG1 3.96Å; T234-I246 PolarHBondContact OG1-N 3.12Å; T234-I246 PolarHBondContact OG1-O 3.23Å; K244-I246 PolarHBondContact O-N 2.94Å
247G96.8Very high95.9Very high2 Ų236.5 Ų36.52%0.02119%0.192CC..BIsolated β-bridgetrans-86147.2175.900000112.2F209 H249F209-G247 PolarHBondContact O-N 3.48Å; G247-H249 PolarHBondContact O-N 3.49Å; G247-H249 VanDerWaalsContact O-N 3.12Å
248L96.7Very high95.8Very high42 Ų4237 Ų3722%0.2220%0.195CC..SBendtrans-83.743.8168.6-65.6176.6000111.3P40 A229 A230 S263 I264P40-L248 HydrophobicContact CG-CD2 4.39Å; A229-L248 HydrophobicContact CB-CD1 4.17Å; A229-L248 PolarHBondContact O-N 2.93Å; A230-L248 WeakPolarHBondContact O-CD1 3.18Å; L248-S263 CarbonylContact O-C 3.6Å; L248-S263 VanDerWaalsContact O-CA 3.3Å; L248-S263 WeakPolarHBondContact O-CA 3.35Å; L248-I264 HydrophobicContact CB-CB 3.84Å; L248-I264 HydrophobicContact CB-CG1 4.01Å; L248-I264 HydrophobicContact CD1-CB 4.06Å; L248-I264 HydrophobicContact CD1-CG1 4.26Å; L248-I264 HydrophobicContact CD1-CG2 4.26Å; L248-I264 PolarHBondContact O-N 3.28Å
249H95.8Very high95.9Very high4 Ų436.8 Ų36.82%0.01919%0.194CC..EExtended strand (participates in β ladder)trans-104.1156.4169.762-79.1000110.9F209 P210 H224 T228 G247 G262F209-H249 WeakPolarHBondContact CB-CE1 3.21Å; F209-H249 WeakPolarHBondContact CB-NE2 3.36Å; F209-H249 AromaticContact CD1-NE2 3.87Å; F209-H249 AromaticContact CD2-CD2 3.45Å; F209-H249 VanDerWaalsContact CD2-CD2 3.45Å; F209-H249 WeakPolarHBondContact CD2-CD2 3.21Å; F209-H249 AromaticContact CD2-NE2 3.77Å; F209-H249 AromaticContact CG-CD2 3.53Å; F209-H249 AromaticContact CG-CE1 3.97Å; F209-H249 AromaticContact CG-NE2 3.31Å; F209-H249 VanDerWaalsContact CG-NE2 3.31Å; F209-H249 WeakPolarHBondContact CG-NE2 3.48Å; P210-H249 PolarHBondContact O-CE1 2.92Å; H224-H249 HydrophobicContact CB-CB 4.35Å; T228-H249 HydrophobicContact CG2-CB 3.94Å; G247-H249 PolarHBondContact O-N 3.49Å; G247-H249 VanDerWaalsContact O-N 3.12Å; H249-G262 CarbonylContact C-O 3.53Å; H249-G262 WeakPolarHBondContact CA-O 3.19Å; H249-G262 WeakPolarHBondContact CB-O 3.44Å
250Y98Very high96Very high1 Ų131.3 Ų31.30%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-151143.1-173.340.6-98.1000109.6P40 I43 Y44 W205 I206 G261 G262 G303 I304P40-Y250 HydrophobicContact CB-CD1 3.97Å; P40-Y250 HydrophobicContact CB-CE1 3.89Å; P40-Y250 HydrophobicContact CG-CE1 4.29Å; I43-Y250 HydrophobicContact CB-CE2 4.22Å; I43-Y250 WeakPolarHBondContact CG1-OH 3.44Å; I43-Y250 HydrophobicContact CG2-CD2 4.38Å; I43-Y250 HydrophobicContact CG2-CE2 3.47Å; I43-Y250 VanDerWaalsContact CG2-CE2 3.47Å; Y44-Y250 HydrophobicContact CE1-CD1 4.16Å; Y44-Y250 HydrophobicContact CE1-CD2 4.03Å; Y44-Y250 AromaticContact CE1-CG 3.68Å; Y44-Y250 HydrophobicContact CE1-CG 3.68Å; Y44-Y250 WeakPolarHBondContact OH-CB 3.37Å; W205-Y250 HydrophobicContact CZ3-CD2 4.11Å; I206-Y250 CarbonylContact O-C 3.51Å; I206-Y250 WeakPolarHBondContact O-CA 3.33Å; Y250-G261 WeakPolarHBondContact O-CA 3.21Å; Y250-G262 PolarHBondContact N-O 3.41Å; Y250-G262 PolarHBondContact O-N 3.29Å; Y250-G303 PolarHBondContact OH-O 3.12Å; Y250-I304 HydrophobicContact CE2-CB 4.25Å; Y250-I304 HydrophobicContact CE2-CD1 4.37Å; Y250-I304 HydrophobicContact CE2-CG1 4.46Å
251D98.1Very high96.1Very high14 Ų1426.8 Ų26.88%0.07515%0.148CC..EExtended strand (participates in β ladder)trans-119.2138.1177.9-69.1-14.1000109.5W205 I206 F209 E258 G260 G261W205-D251 CarbonylContact C-O 3.53Å; W205-D251 WeakPolarHBondContact CA-O 3.41Å; I206-D251 PolarHBondContact N-O 2.81Å; I206-D251 PolarHBondContact O-N 3.37Å; F209-D251 HydrophobicContact CE2-CB 4.38Å; F209-D251 HydrophobicContact CZ-CB 4.04Å; F209-D251 VanDerWaalsContact CZ-OD2 3.31Å; F209-D251 WeakPolarHBondContact CZ-OD2 3.18Å; D251-E258 HydrophobicContact CB-CG 4.47Å; D251-G260 CarbonylContact C-O 3.5Å; D251-G260 WeakPolarHBondContact CA-O 3.45Å; D251-G261 WeakPolarHBondContact OD1-CA 3.34Å
252L98.2Very high96.3Very high1 Ų124.7 Ų24.71%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-92.8120.9168.5-176.762.5000108.4I47 L51 F71 F203 W205 V259 G260 L306I47-L252 HydrophobicContact CG2-CD2 3.86Å; L51-L252 HydrophobicContact CD1-CD2 3.9Å; F71-L252 HydrophobicContact CD2-CD1 3.97Å; F71-L252 HydrophobicContact CE2-CD1 4.26Å; F203-L252 HydrophobicContact CB-CD1 4.46Å; F203-L252 HydrophobicContact CD1-CD1 4.03Å; F203-L252 HydrophobicContact CD1-CD2 4.3Å; F203-L252 HydrophobicContact CD1-CG 4.21Å; F203-L252 HydrophobicContact CE1-CD2 4.47Å; W205-L252 HydrophobicContact CD2-CD1 3.96Å; W205-L252 HydrophobicContact CE3-CB 3.94Å; W205-L252 HydrophobicContact CE3-CD1 4.17Å; W205-L252 HydrophobicContact CH2-CB 3.93Å; W205-L252 HydrophobicContact CH2-CD1 4.16Å; W205-L252 HydrophobicContact CH2-CD2 4.33Å; W205-L252 HydrophobicContact CH2-CG 4.36Å; W205-L252 HydrophobicContact CZ2-CD1 3.92Å; W205-L252 HydrophobicContact CZ3-CB 3.59Å; W205-L252 HydrophobicContact CZ3-CD1 4.29Å; W205-L252 HydrophobicContact CZ3-CG 4.41Å; L252-V259 HydrophobicContact CB-CG2 4.04Å; L252-V259 HydrophobicContact CD2-CG2 3.75Å; L252-V259 HydrophobicContact CG-CG2 3.6Å; L252-V259 VanDerWaalsContact O-CG2 3.26Å; L252-V259 WeakPolarHBondContact O-CG2 3.29Å; L252-V259 PolarHBondContact O-N 3.09Å; L252-G260 PolarHBondContact N-O 2.71Å; L252-G260 PolarHBondContact O-N 3.37Å; L252-L306 HydrophobicContact CD2-CD2 4.26Å
253V97.7Very high96.5Very high1 Ų123.8 Ų23.81%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-114.3136.5-179.6178.10000108.9K87 F203 L204 I206 Q257K87-V253 HydrophobicContact CB-CG1 3.92Å; K87-V253 HydrophobicContact CB-CG2 3.91Å; F203-V253 CarbonylContact C-O 3.56Å; F203-V253 VanDerWaalsContact CA-O 3.32Å; F203-V253 WeakPolarHBondContact CA-O 3.31Å; L204-V253 HydrophobicContact CD1-CB 4.12Å; L204-V253 HydrophobicContact CG-CB 4.03Å; L204-V253 HydrophobicContact CG-CG1 4.48Å; L204-V253 PolarHBondContact N-O 2.9Å; L204-V253 PolarHBondContact O-N 3.09Å; I206-V253 HydrophobicContact CG1-CG2 3.95Å; V253-Q257 CarbonylContact C-O 3.56Å; V253-Q257 WeakPolarHBondContact CA-O 3.13Å
254C95.8Very high96.6Very high0 Ų021.1 Ų21.10%011%0.111CC..EExtended strand (participates in β ladder)trans-129.4121.4173.3-170.70000109F203 G256 Q257 V259F203-C254 HydrophobicContact CD1-CB 3.71Å; F203-C254 HydrophobicContact CE1-CB 3.59Å; F203-C254 HydrophobicContact CG-CB 4.48Å; F203-C254 HydrophobicContact CZ-CB 4.25Å; C254-G256 VanDerWaalsContact C-N 3.26Å; C254-G256 PolarHBondContact O-N 3.32Å; C254-G256 VanDerWaalsContact O-N 3.15Å; C254-Q257 PolarHBondContact N-O 3.45Å; C254-Q257 PolarHBondContact O-N 3.21Å; C254-V259 HydrophobicContact CB-CG1 3.82Å; C254-V259 HydrophobicContact CB-CG2 4.17Å
255N94.7Very high96.7Very high18 Ų1817.5 Ų17.510%0.0969%0.094CC..THydrogen-bonded Turntrans50.641.8174.8-67.2-5000113.7R91 G200 H202 Q257R91-N255 WeakPolarHBondContact CD-OD1 2.94Å; G200-N255 PolarHBondContact O-ND2 3.04Å; H202-N255 PolarHBondContact N-OD1 3.36Å; H202-N255 PolarHBondContact O-N 3.26Å; N255-Q257 VanDerWaalsContact C-N 3.33Å; N255-Q257 PolarHBondContact O-N 3.02Å
256G94.8Very high96.7Very high21 Ų2117.9 Ų17.922%0.21610%0.096CC..THydrogen-bonded Turntrans79.77-179.400000115.8K87 C254K87-G256 WeakPolarHBondContact O-CA 3.29Å; C254-G256 VanDerWaalsContact C-N 3.26Å; C254-G256 PolarHBondContact O-N 3.32Å; C254-G256 VanDerWaalsContact O-N 3.15Å
257Q94.4Very high96.7Very high82 Ų8219.3 Ų19.338%0.38310%0.102SC..EExtended strand (participates in β ladder)trans-116.4130.6176.8-61.7-173.259.100110.7V253 C254 N255 V259 I314V253-Q257 CarbonylContact C-O 3.56Å; V253-Q257 WeakPolarHBondContact CA-O 3.13Å; C254-Q257 PolarHBondContact N-O 3.45Å; C254-Q257 PolarHBondContact O-N 3.21Å; N255-Q257 VanDerWaalsContact C-N 3.33Å; N255-Q257 PolarHBondContact O-N 3.02Å; Q257-V259 PolarHBondContact O-N 3.05Å; Q257-I314 HydrophobicContact CB-CD1 3.93Å; Q257-I314 HydrophobicContact CG-CD1 4.45Å
258E95.6Very high96.6Very high69 Ų6922.2 Ų22.232%0.32212%0.117SC..EExtended strand (participates in β ladder)trans-67.7113.5169.1-177.3-157.9142.900108.8K87 D251 R310K87-E258 HydrophobicContact CD-CB 4.36Å; D251-E258 HydrophobicContact CB-CG 4.47Å; E258-R310 WeakPolarHBondContact O-CD 3.21Å; E258-R310 PolarHBondContact O-NH1 3.07Å
259V95.6Very high96.5Very high2 Ų221.3 Ų21.31%0.01211%0.114CC..EExtended strand (participates in β ladder)trans-102.7-13.5-179.5-65.30000112.8F203 L252 C254 Q257 L306 G307 L311 I314F203-V259 HydrophobicContact CE1-CG2 4.3Å; L252-V259 HydrophobicContact CB-CG2 4.04Å; L252-V259 HydrophobicContact CD2-CG2 3.75Å; L252-V259 HydrophobicContact CG-CG2 3.6Å; L252-V259 VanDerWaalsContact O-CG2 3.26Å; L252-V259 WeakPolarHBondContact O-CG2 3.29Å; L252-V259 PolarHBondContact O-N 3.09Å; C254-V259 HydrophobicContact CB-CG1 3.82Å; C254-V259 HydrophobicContact CB-CG2 4.17Å; Q257-V259 PolarHBondContact O-N 3.05Å; V259-L306 WeakPolarHBondContact O-CA 3.42Å; V259-G307 PolarHBondContact O-N 3.44Å; V259-L311 HydrophobicContact CB-CD1 4.09Å; V259-L311 HydrophobicContact CG1-CD1 4.23Å; V259-L311 HydrophobicContact CG2-CD1 4.33Å; V259-I314 HydrophobicContact CG1-CD1 3.41Å; V259-I314 VanDerWaalsContact CG1-CD1 3.41Å
260G96.8Very high96.4Very high3 Ų328.3 Ų28.33%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-167.4160.5171.500000111.8D251 L252 A305D251-G260 CarbonylContact C-O 3.5Å; D251-G260 WeakPolarHBondContact CA-O 3.45Å; L252-G260 PolarHBondContact N-O 2.71Å; L252-G260 PolarHBondContact O-N 3.37Å; G260-A305 WeakPolarHBondContact CA-O 3.29Å
261G97.3Very high96.2Very high11 Ų1129.7 Ų29.711%0.11316%0.155CC..EExtended strand (participates in β ladder)trans-150.7147.2-179.100000110Y250 D251 I304 A305Y250-G261 WeakPolarHBondContact O-CA 3.21Å; D251-G261 WeakPolarHBondContact OD1-CA 3.34Å; G261-I304 WeakPolarHBondContact O-CG1 3.18Å; G261-A305 PolarHBondContact N-O 2.65Å; G261-A305 PolarHBondContact O-N 3.29Å
262G97.7Very high96.1Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-161.2170.9-172.200000112.8H249 Y250 G303H249-G262 CarbonylContact C-O 3.53Å; H249-G262 WeakPolarHBondContact CA-O 3.19Å; H249-G262 WeakPolarHBondContact CB-O 3.44Å; Y250-G262 PolarHBondContact N-O 3.41Å; Y250-G262 PolarHBondContact O-N 3.29Å; G262-G303 CarbonylContact C-O 3.44Å; G262-G303 WeakPolarHBondContact CA-O 3.25Å
263S97.9Very high95.9Very high0 Ų034.4 Ų34.40%018%0.175CC..EExtended strand (participates in β ladder)trans-155.6157.9174.9890000112.6H225 T228 L248 R265 G302 G303H225-S263 PolarHBondContact CE1-OG 2.95Å; H225-S263 VanDerWaalsContact CE1-OG 3.29Å; T228-S263 PolarHBondContact OG1-OG 3.24Å; L248-S263 CarbonylContact O-C 3.6Å; L248-S263 VanDerWaalsContact O-CA 3.3Å; L248-S263 WeakPolarHBondContact O-CA 3.35Å; S263-R265 PolarHBondContact OG-NH1 3.45Å; S263-G302 VanDerWaalsContact O-CA 3.25Å; S263-G302 WeakPolarHBondContact O-CA 3.49Å; S263-G303 PolarHBondContact N-O 3.34Å; S263-G303 PolarHBondContact O-N 3.34Å
264I98.1Very high95.8Very high14 Ų1437.7 Ų37.77%0.07219%0.187CC..EExtended strand (participates in β ladder)trans-70137.8155.6-55.2-53.4000108I38 P40 A229 L248I38-I264 HydrophobicContact CD1-CD1 4.22Å; I38-I264 HydrophobicContact CG1-CD1 4.49Å; P40-I264 HydrophobicContact CG-CD1 4.27Å; P40-I264 HydrophobicContact CG-CG1 3.79Å; A229-I264 HydrophobicContact CB-CB 4.26Å; A229-I264 HydrophobicContact CB-CG2 4.03Å; A229-I264 PolarHBondContact N-O 3.31Å; L248-I264 HydrophobicContact CB-CB 3.84Å; L248-I264 HydrophobicContact CB-CG1 4.01Å; L248-I264 HydrophobicContact CD1-CB 4.06Å; L248-I264 HydrophobicContact CD1-CG1 4.26Å; L248-I264 HydrophobicContact CD1-CG2 4.26Å; L248-I264 PolarHBondContact O-N 3.28Å
265R97.7Very high95.8Very high34 Ų3437.9 Ų37.913%0.12819%0.189CC..EExtended strand (participates in β ladder)trans-95.4148.2-177.2-45.4-50.2-177.1-173.18.6111.1E34 H225 F227 S263 H267 H301E34-R265 VanDerWaalsContact OE1-CG 3.24Å; E34-R265 WeakPolarHBondContact OE1-CG 3.42Å; E34-R265 IonicContact OE1-NE 3.13Å; E34-R265 PolarHBondContact OE1-NE 2.92Å; E34-R265 VanDerWaalsContact OE1-NE 3.13Å; E34-R265 IonicContact OE2-CZ 2.92Å; E34-R265 IonicContact OE2-NE 3.61Å; E34-R265 PolarHBondContact OE2-NE 3.45Å; E34-R265 IonicContact OE2-NH2 3.37Å; E34-R265 PolarHBondContact OE2-NH2 3.44Å; H225-R265 PolarHBondContact CE1-NH1 3.3Å; H225-R265 PolarHBondContact NE2-NH1 3.47Å; F227-R265 CarbonylContact O-C 3.59Å; F227-R265 VanDerWaalsContact O-CA 3.25Å; F227-R265 WeakPolarHBondContact O-CA 3.47Å; S263-R265 PolarHBondContact OG-NH1 3.45Å; R265-H267 PolarHBondContact O-N 3.1Å; R265-H301 VanDerWaalsContact CB-NE2 3.33Å; R265-H301 WeakPolarHBondContact CB-NE2 3.47Å; R265-H301 VanDerWaalsContact CG-CD2 3.42Å; R265-H301 WeakPolarHBondContact CG-CD2 3.31Å; R265-H301 PolarHBondContact N-O 2.79Å
266V96.8Very high95.7Very high9 Ų937.1 Ų37.16%0.05519%0.185CC..PPolyproline II helixtrans-65.7121.3168.1-178.90000108.3F227 T228 A229 N268 V271 Q272F227-V266 PolarHBondContact O-N 2.99Å; T228-V266 WeakPolarHBondContact O-CG2 3.46Å; A229-V266 HydrophobicContact CB-CG2 4.38Å; V266-N268 WeakPolarHBondContact CG1-O 3.29Å; V266-V271 HydrophobicContact CG1-CB 4.05Å; V266-V271 HydrophobicContact CG1-CG1 4.01Å; V266-Q272 VanDerWaalsContact CB-OE1 3.3Å; V266-Q272 HydrophobicContact CG1-CB 3.83Å
267H95.8Very high95.6Very high77 Ų7738 Ų3836%0.35619%0.186SC..  trans-106.8-12.2175.560.3-84.2000112.5R265 T298R265-H267 PolarHBondContact O-N 3.1Å; H267-T298 HydrophobicContact CB-CG2 3.98Å
268N95.2Very high95.5Very high63 Ų6339.5 Ų39.534%0.33719%0.193SC..  trans-87.2119.5176.8-176.9-41000110.2V266 E270 V271 Q272V266-N268 WeakPolarHBondContact CG1-O 3.29Å; N268-E270 VanDerWaalsContact C-N 3.35Å; N268-E270 PolarHBondContact O-N 2.92Å; N268-E270 WeakPolarHBondContact OD1-CB 3.4Å; N268-E270 PolarHBondContact OD1-N 3.43Å; N268-V271 HydrophobicContact CB-CB 4.15Å; N268-V271 HydrophobicContact CB-CG2 3.89Å; N268-V271 PolarHBondContact O-N 2.92Å; N268-V271 PolarHBondContact OD1-N 3.16Å; N268-Q272 PolarHBondContact O-N 2.91Å
269P94.1Very high95.4Very high24 Ų2436.6 Ų36.616%0.15618%0.179CC..Hα-helixtrans-64.8-33.5-177.324.2-32.5000113.7K273 L294 N295P269-K273 VanDerWaalsContact O-CB 3.25Å; P269-K273 WeakPolarHBondContact O-CB 3.07Å; P269-K273 PolarHBondContact O-N 2.98Å; P269-L294 HydrophobicContact CB-CB 3.86Å; P269-N295 WeakPolarHBondContact CG-OD1 3.35Å
270E93.9Very high95.3Very high150 Ų15037.3 Ų37.370%0.70118%0.183SC*.Hα-helixtrans-67.4-43.8178.8-60179.8167.100110.9N268 K273 Y274N268-E270 VanDerWaalsContact C-N 3.35Å; N268-E270 PolarHBondContact O-N 2.92Å; N268-E270 WeakPolarHBondContact OD1-CB 3.4Å; N268-E270 PolarHBondContact OD1-N 3.43Å; E270-K273 PolarHBondContact O-N 2.92Å; E270-Y274 WeakPolarHBondContact O-CB 3.3Å; E270-Y274 PolarHBondContact O-N 2.9Å
271V95.2Very high95.1Very high30 Ų3045.2 Ų45.218%0.18222%0.217CC..Hα-helixtrans-63-48.3176.4178.30000110.3L238 V266 N268 K273 Y274 V275L238-V271 HydrophobicContact CD1-CG1 4.09Å; V266-V271 HydrophobicContact CG1-CB 4.05Å; V266-V271 HydrophobicContact CG1-CG1 4.01Å; N268-V271 HydrophobicContact CB-CB 4.15Å; N268-V271 HydrophobicContact CB-CG2 3.89Å; N268-V271 PolarHBondContact O-N 2.92Å; N268-V271 PolarHBondContact OD1-N 3.16Å; V271-K273 VanDerWaalsContact C-N 3.32Å; V271-K273 PolarHBondContact O-N 2.89Å; V271-Y274 PolarHBondContact O-N 3.03Å; V271-V275 WeakPolarHBondContact O-CG2 3.14Å; V271-V275 PolarHBondContact O-N 3.25Å
272Q95.6Very high94.6Very high0 Ų049.3 Ų49.30%023%0.233CC..Hα-helixtrans-62-42179.8-173.863.860.900111.7P226 V266 N268 V275 F276 F290 L291 L294P226-Q272 PolarHBondContact O-NE2 2.9Å; V266-Q272 VanDerWaalsContact CB-OE1 3.3Å; V266-Q272 HydrophobicContact CG1-CB 3.83Å; N268-Q272 PolarHBondContact O-N 2.91Å; Q272-V275 PolarHBondContact O-N 3.43Å; Q272-F276 HydrophobicContact CG-CD2 3.95Å; Q272-F276 HydrophobicContact CG-CE2 3.58Å; Q272-F276 HydrophobicContact CG-CZ 4.35Å; Q272-F276 VanDerWaalsContact NE2-CE2 3.27Å; Q272-F276 VanDerWaalsContact NE2-CZ 3.27Å; Q272-F276 WeakPolarHBondContact O-CD2 3.44Å; Q272-F276 PolarHBondContact O-N 3.41Å; Q272-F276 VanDerWaalsContact O-N 3.07Å; Q272-F290 HydrophobicContact CG-CD1 4.39Å; Q272-F290 HydrophobicContact CG-CE1 4.01Å; Q272-L291 HydrophobicContact CB-CD2 4.01Å; Q272-L291 HydrophobicContact CG-CD2 3.87Å; Q272-L294 HydrophobicContact CB-CD1 3.72Å; Q272-L294 HydrophobicContact CG-CD1 3.94Å
273K94.3Very high94Very high115 Ų11554 Ų5450%0.526%0.257SS..Hα-helixtrans-61.5-44.6176.6-174.6174.8-178.3176.30111.2P269 E270 V271 V275 F276 T277 L291P269-K273 VanDerWaalsContact O-CB 3.25Å; P269-K273 WeakPolarHBondContact O-CB 3.07Å; P269-K273 PolarHBondContact O-N 2.98Å; E270-K273 PolarHBondContact O-N 2.92Å; V271-K273 VanDerWaalsContact C-N 3.32Å; V271-K273 PolarHBondContact O-N 2.89Å; K273-V275 PolarHBondContact O-N 3.17Å; K273-F276 PolarHBondContact O-N 3.45Å; K273-T277 HydrophobicContact CG-CG2 4.37Å; K273-T277 PolarHBondContact O-N 3.08Å; K273-T277 PolarHBondContact O-OG1 3.47Å; K273-L291 HydrophobicContact CB-CD1 4.32Å; K273-L291 HydrophobicContact CB-CD2 4.28Å; K273-L291 HydrophobicContact CG-CD1 4.33Å
274Y94.8Very high93.1Very high69 Ų6955.4 Ų55.427%0.27127%0.267SS..Hα-helixtrans-61.2-43.2176.8-173-89.3000112.3L238 Y239 E270 V271 F276 E278 I279L238-Y274 WeakPolarHBondContact O-CE1 3.42Å; Y239-Y274 AromaticContact CD1-CD1 3.81Å; Y239-Y274 HydrophobicContact CD1-CD1 3.81Å; Y239-Y274 AromaticContact CD1-CD2 3.92Å; Y239-Y274 HydrophobicContact CD1-CD2 3.92Å; Y239-Y274 AromaticContact CD1-CE1 3.54Å; Y239-Y274 HydrophobicContact CD1-CE1 3.54Å; Y239-Y274 AromaticContact CD1-CE2 3.65Å; Y239-Y274 HydrophobicContact CD1-CE2 3.65Å; Y239-Y274 HydrophobicContact CD1-CG 4.01Å; Y239-Y274 AromaticContact CD1-CZ 3.47Å; Y239-Y274 VanDerWaalsContact CD1-CZ 3.47Å; Y239-Y274 AromaticContact CE1-CD1 3.72Å; Y239-Y274 HydrophobicContact CE1-CD1 3.72Å; Y239-Y274 AromaticContact CE1-CD2 3.83Å; Y239-Y274 HydrophobicContact CE1-CD2 3.83Å; Y239-Y274 AromaticContact CE1-CE1 3.97Å; Y239-Y274 HydrophobicContact CE1-CE1 3.97Å; Y239-Y274 HydrophobicContact CE1-CE2 4.07Å; Y239-Y274 AromaticContact CE1-CG 3.66Å; Y239-Y274 HydrophobicContact CE1-CG 3.66Å; Y239-Y274 HydrophobicContact CG-CE1 4.45Å; E270-Y274 WeakPolarHBondContact O-CB 3.3Å; E270-Y274 PolarHBondContact O-N 2.9Å; V271-Y274 PolarHBondContact O-N 3.03Å; Y274-F276 VanDerWaalsContact C-N 3.33Å; Y274-F276 PolarHBondContact O-N 2.95Å; Y274-E278 HydrophobicContact CD1-CB 4.32Å; Y274-E278 HydrophobicContact CD2-CB 4.02Å; Y274-E278 HydrophobicContact CD2-CG 3.56Å; Y274-E278 HydrophobicContact CE1-CB 4.05Å; Y274-E278 HydrophobicContact CE2-CB 3.74Å; Y274-E278 HydrophobicContact CE2-CG 3.47Å; Y274-E278 VanDerWaalsContact CE2-CG 3.47Å; Y274-E278 HydrophobicContact CG-CB 4.29Å; Y274-E278 HydrophobicContact CG-CG 4.2Å; Y274-E278 WeakPolarHBondContact O-CB 3.4Å; Y274-E278 PolarHBondContact O-N 3.22Å; Y274-I279 HydrophobicContact CD1-CD1 4.1Å; Y274-I279 HydrophobicContact CD1-CG1 4.11Å; Y274-I279 HydrophobicContact CE1-CD1 4.02Å; Y274-I279 HydrophobicContact CE1-CG1 3.86Å; Y274-I279 PolarHBondContact O-N 2.92Å
275V94.7Very high92.5Very high5 Ų558.7 Ų58.73%0.0329%0.291CS..Iπ-helixtrans-58-45.9175.6170.30000110.9F212 L238 V271 Q272 K273 I279 L280F212-V275 HydrophobicContact CE1-CG1 4.02Å; F212-V275 HydrophobicContact CZ-CG1 3.99Å; F212-V275 HydrophobicContact CZ-CG2 4.26Å; L238-V275 HydrophobicContact CD2-CG2 4.43Å; V271-V275 WeakPolarHBondContact O-CG2 3.14Å; V271-V275 PolarHBondContact O-N 3.25Å; Q272-V275 PolarHBondContact O-N 3.43Å; K273-V275 PolarHBondContact O-N 3.17Å; V275-I279 HydrophobicContact CG2-CD1 4.28Å; V275-I279 WeakPolarHBondContact O-CB 2.98Å; V275-L280 HydrophobicContact CG1-CD1 3.91Å; V275-L280 HydrophobicContact CG1-CG 4.21Å; V275-L280 WeakPolarHBondContact O-CB 3.5Å; V275-L280 WeakPolarHBondContact O-CG 3.45Å; V275-L280 PolarHBondContact O-N 2.98Å
276F93.5Very high91.9Very high2 Ų264.1 Ų64.11%0.00932%0.318CS..Iπ-helixtrans-66.6-52.4178.4-73.2-45.9000113.2P226 F227 Q272 K273 Y274 L280 K281 E282 M287P226-F276 HydrophobicContact CB-CD1 4.31Å; P226-F276 HydrophobicContact CB-CE1 3.51Å; P226-F276 HydrophobicContact CB-CZ 4.23Å; P226-F276 HydrophobicContact CG-CE1 4.33Å; F227-F276 HydrophobicContact CD1-CZ 4.11Å; F227-F276 HydrophobicContact CE1-CE1 4.5Å; F227-F276 HydrophobicContact CE1-CE2 4.28Å; F227-F276 AromaticContact CE1-CZ 3.54Å; F227-F276 HydrophobicContact CE1-CZ 3.54Å; F227-F276 HydrophobicContact CZ-CZ 4.24Å; Q272-F276 HydrophobicContact CG-CD2 3.95Å; Q272-F276 HydrophobicContact CG-CE2 3.58Å; Q272-F276 HydrophobicContact CG-CZ 4.35Å; Q272-F276 VanDerWaalsContact NE2-CE2 3.27Å; Q272-F276 VanDerWaalsContact NE2-CZ 3.27Å; Q272-F276 WeakPolarHBondContact O-CD2 3.44Å; Q272-F276 PolarHBondContact O-N 3.41Å; Q272-F276 VanDerWaalsContact O-N 3.07Å; K273-F276 PolarHBondContact O-N 3.45Å; Y274-F276 VanDerWaalsContact C-N 3.33Å; Y274-F276 PolarHBondContact O-N 2.95Å; F276-L280 HydrophobicContact CD1-CD1 4.41Å; F276-K281 WeakPolarHBondContact O-CA 3.39Å; F276-K281 PolarHBondContact O-N 3.41Å; F276-E282 PolarHBondContact O-N 3Å; F276-M287 HydrophobicContact CE2-CB 4.05Å; F276-M287 HydrophobicContact CE2-CG 4.23Å; F276-M287 HydrophobicContact CZ-CB 4.43Å; F276-M287 HydrophobicContact CZ-CG 4.12Å
277T92.6Very high91.4Very high40 Ų4066.3 Ų66.325%0.24533%0.328CS..Iπ-helixtrans-81.9-43.3-168.864.10000113.1K273K273-T277 HydrophobicContact CG-CG2 4.37Å; K273-T277 PolarHBondContact O-N 3.08Å; K273-T277 PolarHBondContact O-OG1 3.47Å
278E93.3Very high91.2Very high113 Ų11368.6 Ų68.653%0.52834%0.339SS..Iπ-helixtrans-93.6-40.6-171-56.6-51.3129.100112.5Y274Y274-E278 HydrophobicContact CD1-CB 4.32Å; Y274-E278 HydrophobicContact CD2-CB 4.02Å; Y274-E278 HydrophobicContact CD2-CG 3.56Å; Y274-E278 HydrophobicContact CE1-CB 4.05Å; Y274-E278 HydrophobicContact CE2-CB 3.74Å; Y274-E278 HydrophobicContact CE2-CG 3.47Å; Y274-E278 VanDerWaalsContact CE2-CG 3.47Å; Y274-E278 HydrophobicContact CG-CB 4.29Å; Y274-E278 HydrophobicContact CG-CG 4.2Å; Y274-E278 WeakPolarHBondContact O-CB 3.4Å; Y274-E278 PolarHBondContact O-N 3.22Å
279I93.1Very high91.1Very high7 Ų773.3 Ų73.34%0.03635%0.353CS..Iπ-helixtrans-86.6-63.3-176.5-54.7-178.5000110.8F212 W220 L238 P242 Y274 V275 K281F212-I279 HydrophobicContact CD1-CG2 3.92Å; F212-I279 HydrophobicContact CD2-CG2 4.25Å; F212-I279 HydrophobicContact CE1-CG2 3.82Å; F212-I279 HydrophobicContact CE2-CD1 3.8Å; F212-I279 HydrophobicContact CE2-CG2 4.15Å; F212-I279 HydrophobicContact CG-CG2 4.13Å; F212-I279 HydrophobicContact CZ-CD1 3.8Å; F212-I279 HydrophobicContact CZ-CG2 3.95Å; W220-I279 HydrophobicContact CB-CG2 3.98Å; W220-I279 HydrophobicContact CG-CG2 4.1Å; L238-I279 HydrophobicContact CD2-CD1 3.91Å; P242-I279 HydrophobicContact CB-CG2 4.31Å; P242-I279 HydrophobicContact CG-CD1 4.46Å; P242-I279 HydrophobicContact CG-CG1 4.49Å; P242-I279 HydrophobicContact CG-CG2 4.38Å; Y274-I279 HydrophobicContact CD1-CD1 4.1Å; Y274-I279 HydrophobicContact CD1-CG1 4.11Å; Y274-I279 HydrophobicContact CE1-CD1 4.02Å; Y274-I279 HydrophobicContact CE1-CG1 3.86Å; Y274-I279 PolarHBondContact O-N 2.92Å; V275-I279 HydrophobicContact CG2-CD1 4.28Å; V275-I279 WeakPolarHBondContact O-CB 2.98Å; I279-K281 VanDerWaalsContact C-N 3.35Å
280L93.1Very high91Very high18 Ų1874 Ų749%0.09435%0.354CS..Iπ-helixtrans-78.7-20.8-175-61.1179.2000112.6F212 P226 V275 F276 E282F212-L280 HydrophobicContact CD1-CD2 3.99Å; F212-L280 HydrophobicContact CE1-CD2 4.02Å; F212-L280 HydrophobicContact CE1-CG 4.37Å; P226-L280 HydrophobicContact CB-CD1 3.75Å; P226-L280 HydrophobicContact CG-CD1 4.04Å; V275-L280 HydrophobicContact CG1-CD1 3.91Å; V275-L280 HydrophobicContact CG1-CG 4.21Å; V275-L280 WeakPolarHBondContact O-CB 3.5Å; V275-L280 WeakPolarHBondContact O-CG 3.45Å; V275-L280 PolarHBondContact O-N 2.98Å; F276-L280 HydrophobicContact CD1-CD1 4.41Å; L280-E282 HydrophobicContact CB-CB 4.49Å; L280-E282 HydrophobicContact CB-CG 3.91Å; L280-E282 PolarHBondContact O-N 3.11Å
281K91.6Very high91Very high169 Ų16967.7 Ų67.774%0.73533%0.325SS*.  trans5638.3-176.9-56.1-175.2177.1-174.60112.3F276 I279F276-K281 WeakPolarHBondContact O-CA 3.39Å; F276-K281 PolarHBondContact O-N 3.41Å; I279-K281 VanDerWaalsContact C-N 3.35Å
282E88Confident91Very high96 Ų9670.1 Ų70.145%0.44934%0.34SS..  trans-91.9154.2177.4-70.4177.7171.800110.6F276 L280 S284F276-E282 PolarHBondContact O-N 3Å; L280-E282 HydrophobicContact CB-CB 4.49Å; L280-E282 HydrophobicContact CB-CG 3.91Å; L280-E282 PolarHBondContact O-N 3.11Å; E282-S284 PolarHBondContact O-N 3.37Å; E282-S284 VanDerWaalsContact O-N 3.11Å
283N84.6Confident90.9Very high98 Ų9871.4 Ų71.452%0.52435%0.351SS..  trans-74.2105178.9-173.9-1.8000110.6C285 E286N283-C285 PolarHBondContact O-N 3.23Å; N283-C285 VanDerWaalsContact OD1-CB 3.27Å; N283-C285 WeakPolarHBondContact OD1-CB 3.48Å; N283-C285 PolarHBondContact OD1-N 2.89Å; N283-C285 PolarHBondContact OD1-SG 2.97Å; N283-C285 VanDerWaalsContact OD1-SG 3.41Å; N283-E286 PolarHBondContact O-N 3.47Å
284S80Confident91Very high30 Ų3066.1 Ų66.121%0.2133%0.328CS..G310 helixtrans-63.8-17.6178.160.90000114.8E282 E286 M287 E288E282-S284 PolarHBondContact O-N 3.37Å; E282-S284 VanDerWaalsContact O-N 3.11Å; S284-E286 VanDerWaalsContact C-N 3.29Å; S284-E286 PolarHBondContact O-N 3.37Å; S284-M287 CarbonylContact O-C 3.47Å; S284-M287 PolarHBondContact O-N 2.92Å; S284-E288 PolarHBondContact O-N 2.62Å; S284-E288 VanDerWaalsContact O-N 3.15Å
285C84Confident91Very high84 Ų8468.2 Ų68.257%0.56834%0.343SS*.G310 helixtrans-61.3-36.1179.8-66.10000112.6N283 M287 E288N283-C285 PolarHBondContact O-N 3.23Å; N283-C285 VanDerWaalsContact OD1-CB 3.27Å; N283-C285 WeakPolarHBondContact OD1-CB 3.48Å; N283-C285 PolarHBondContact OD1-N 2.89Å; N283-C285 PolarHBondContact OD1-SG 2.97Å; N283-C285 VanDerWaalsContact OD1-SG 3.41Å; C285-M287 PolarHBondContact O-N 3.05Å; C285-E288 PolarHBondContact O-N 3.35Å
286E84.9Confident91Very high148 Ų14872.2 Ų72.269%0.69237%0.372SS*.G310 helixtrans-67.1-21.3177.5-65.2-178.8-177.900112.2N283 S284 Y289N283-E286 PolarHBondContact O-N 3.47Å; S284-E286 VanDerWaalsContact C-N 3.29Å; S284-E286 PolarHBondContact O-N 3.37Å; E286-Y289 VanDerWaalsContact O-CE1 3.31Å; E286-Y289 WeakPolarHBondContact O-CE1 3.27Å
287M88.2Confident91Very high55 Ų5575.2 Ų75.227%0.27140%0.403SS..G310 helixtrans-110.313-176.9-64.3-66.6176.700112.9F227 F276 S284 C285 Y289 F290 L291F227-M287 HydrophobicContact CZ-SD 4.46Å; F276-M287 HydrophobicContact CE2-CB 4.05Å; F276-M287 HydrophobicContact CE2-CG 4.23Å; F276-M287 HydrophobicContact CZ-CB 4.43Å; F276-M287 HydrophobicContact CZ-CG 4.12Å; S284-M287 CarbonylContact O-C 3.47Å; S284-M287 PolarHBondContact O-N 2.92Å; C285-M287 PolarHBondContact O-N 3.05Å; M287-Y289 VanDerWaalsContact C-N 3.29Å; M287-Y289 PolarHBondContact O-N 3.26Å; M287-Y289 HydrophobicContact SD-CE1 4.31Å; M287-F290 WeakPolarHBondContact O-CB 3.3Å; M287-F290 PolarHBondContact O-N 3.18Å; M287-L291 PolarHBondContact O-N 3.15Å; M287-L291 VanDerWaalsContact O-N 3.08Å
288E90.8Very high91.1Very high124 Ų12473.9 Ų73.958%0.57940%0.395SS*.Hα-helixtrans-59.9-41-177.3-175.5167.3-164.900111.6S284 C285 F290 L291 T292S284-E288 PolarHBondContact O-N 2.62Å; S284-E288 VanDerWaalsContact O-N 3.15Å; C285-E288 PolarHBondContact O-N 3.35Å; E288-F290 PolarHBondContact O-N 3.03Å; E288-L291 PolarHBondContact O-N 3.32Å; E288-L291 VanDerWaalsContact O-N 3.15Å; E288-T292 PolarHBondContact O-N 3.31Å; E288-T292 PolarHBondContact O-OG1 3.2Å
289Y92.4Very high91.3Very high163 Ų16369.5 Ų69.564%0.63938%0.376SS*.Hα-helixtrans-56-38.3175.775.2-88.8000112.3E286 M287 A293E286-Y289 VanDerWaalsContact O-CE1 3.31Å; E286-Y289 WeakPolarHBondContact O-CE1 3.27Å; M287-Y289 VanDerWaalsContact C-N 3.29Å; M287-Y289 PolarHBondContact O-N 3.26Å; M287-Y289 HydrophobicContact SD-CE1 4.31Å; Y289-A293 WeakPolarHBondContact O-CB 3.27Å; Y289-A293 PolarHBondContact O-N 2.86Å
290F92.7Very high91.5Very high37 Ų3771.5 Ų71.516%0.16239%0.39CS..Hα-helixtrans-72.1-43.6179.3-179.1-110.1000110.8F227 Q272 M287 E288 T292 A293 L294F227-F290 HydrophobicContact CD1-CD1 4.16Å; F227-F290 AromaticContact CD1-CE1 3.45Å; F227-F290 HydrophobicContact CD1-CE1 3.45Å; F227-F290 VanDerWaalsContact CD1-CE1 3.45Å; F227-F290 AromaticContact CD1-CZ 3.83Å; F227-F290 HydrophobicContact CD1-CZ 3.83Å; F227-F290 AromaticContact CE1-CD1 3.79Å; F227-F290 HydrophobicContact CE1-CD1 3.79Å; F227-F290 AromaticContact CE1-CE1 3.56Å; F227-F290 HydrophobicContact CE1-CE1 3.56Å; F227-F290 HydrophobicContact CE1-CG 4.49Å; F227-F290 HydrophobicContact CE1-CZ 4.11Å; Q272-F290 HydrophobicContact CG-CD1 4.39Å; Q272-F290 HydrophobicContact CG-CE1 4.01Å; M287-F290 WeakPolarHBondContact O-CB 3.3Å; M287-F290 PolarHBondContact O-N 3.18Å; E288-F290 PolarHBondContact O-N 3.03Å; F290-T292 VanDerWaalsContact C-N 3.32Å; F290-T292 PolarHBondContact O-N 3.33Å; F290-A293 WeakPolarHBondContact O-CB 3.42Å; F290-A293 PolarHBondContact O-N 3.46Å; F290-A293 VanDerWaalsContact O-N 3.16Å; F290-L294 HydrophobicContact CD1-CD1 4.15Å; F290-L294 HydrophobicContact CD1-CG 4.39Å; F290-L294 HydrophobicContact CE1-CD1 3.68Å; F290-L294 HydrophobicContact CE1-CD2 4.4Å; F290-L294 HydrophobicContact CE1-CG 4.05Å; F290-L294 HydrophobicContact CE2-CD2 4.43Å; F290-L294 HydrophobicContact CZ-CD1 4.15Å; F290-L294 HydrophobicContact CZ-CD2 4.03Å; F290-L294 HydrophobicContact CZ-CG 4.13Å; F290-L294 WeakPolarHBondContact O-CG 3.48Å; F290-L294 PolarHBondContact O-N 3.45Å
291L93.6Very high91.7Very high18 Ų1871.3 Ų71.39%0.09439%0.388CS..Hα-helixtrans-62.4-38174.8-64.6177.5000112.1Q272 K273 M287 E288 L294 N295Q272-L291 HydrophobicContact CB-CD2 4.01Å; Q272-L291 HydrophobicContact CG-CD2 3.87Å; K273-L291 HydrophobicContact CB-CD1 4.32Å; K273-L291 HydrophobicContact CB-CD2 4.28Å; K273-L291 HydrophobicContact CG-CD1 4.33Å; M287-L291 PolarHBondContact O-N 3.15Å; M287-L291 VanDerWaalsContact O-N 3.08Å; E288-L291 PolarHBondContact O-N 3.32Å; E288-L291 VanDerWaalsContact O-N 3.15Å; L291-L294 HydrophobicContact CD2-CD1 4.44Å; L291-L294 PolarHBondContact O-N 2.78Å; L291-N295 PolarHBondContact O-N 2.85Å; L291-N295 VanDerWaalsContact O-N 3.12Å; L291-N295 PolarHBondContact O-ND2 3.37Å
292T94.4Very high92.1Very high81 Ų8163.2 Ų63.250%0.49735%0.353SS..Hα-helixtrans-63.2-42.6172.7-57.10000111.2E288 F290 N295 S296E288-T292 PolarHBondContact O-N 3.31Å; E288-T292 PolarHBondContact O-OG1 3.2Å; F290-T292 VanDerWaalsContact C-N 3.32Å; F290-T292 PolarHBondContact O-N 3.33Å; T292-N295 PolarHBondContact O-N 3.04Å; T292-S296 PolarHBondContact O-N 3.08Å; T292-S296 PolarHBondContact O-OG 3.01Å
293A95.1Very high92.5Very high28 Ų2858.7 Ų58.723%0.23133%0.332CS..Hα-helixtrans-64.3-41.5176.700000111.7I2 Y289 F290 N295 S296 T298I2-A293 HydrophobicContact CD1-CB 3.48Å; I2-A293 VanDerWaalsContact CD1-CB 3.48Å; I2-A293 HydrophobicContact CG2-CB 4.49Å; Y289-A293 WeakPolarHBondContact O-CB 3.27Å; Y289-A293 PolarHBondContact O-N 2.86Å; F290-A293 WeakPolarHBondContact O-CB 3.42Å; F290-A293 PolarHBondContact O-N 3.46Å; F290-A293 VanDerWaalsContact O-N 3.16Å; A293-N295 VanDerWaalsContact C-N 3.31Å; A293-N295 PolarHBondContact O-N 3.12Å; A293-S296 WeakPolarHBondContact O-CB 3.27Å; A293-S296 PolarHBondContact O-N 2.82Å; A293-T298 PolarHBondContact O-OG1 3.13Å; A293-T298 VanDerWaalsContact O-OG1 3.05Å
294L95.2Very high93.2Very high3 Ų354 Ų542%0.01631%0.307CS..Hα-helixtrans-56.4-44173.8-72-174.5000112.3P269 Q272 F290 L291 S296 T298P269-L294 HydrophobicContact CB-CB 3.86Å; Q272-L294 HydrophobicContact CB-CD1 3.72Å; Q272-L294 HydrophobicContact CG-CD1 3.94Å; F290-L294 HydrophobicContact CD1-CD1 4.15Å; F290-L294 HydrophobicContact CD1-CG 4.39Å; F290-L294 HydrophobicContact CE1-CD1 3.68Å; F290-L294 HydrophobicContact CE1-CD2 4.4Å; F290-L294 HydrophobicContact CE1-CG 4.05Å; F290-L294 HydrophobicContact CE2-CD2 4.43Å; F290-L294 HydrophobicContact CZ-CD1 4.15Å; F290-L294 HydrophobicContact CZ-CD2 4.03Å; F290-L294 HydrophobicContact CZ-CG 4.13Å; F290-L294 WeakPolarHBondContact O-CG 3.48Å; F290-L294 PolarHBondContact O-N 3.45Å; L291-L294 HydrophobicContact CD2-CD1 4.44Å; L291-L294 PolarHBondContact O-N 2.78Å; L294-S296 PolarHBondContact O-N 2.92Å; L294-T298 VanDerWaalsContact CA-OG1 3.28Å; L294-T298 WeakPolarHBondContact CA-OG1 3.46Å; L294-T298 HydrophobicContact CD2-CG2 3.77Å; L294-T298 PolarHBondContact O-N 2.87Å; L294-T298 PolarHBondContact O-OG1 2.96Å
295N94.7Very high94Very high113 Ų11353.3 Ų53.360%0.60430%0.303SS*.Hα-helixtrans-64.8-15.3176.5-81.2-65.5000114.6P269 L291 T292 A293 G297P269-N295 WeakPolarHBondContact CG-OD1 3.35Å; L291-N295 PolarHBondContact O-N 2.85Å; L291-N295 VanDerWaalsContact O-N 3.12Å; L291-N295 PolarHBondContact O-ND2 3.37Å; T292-N295 PolarHBondContact O-N 3.04Å; A293-N295 VanDerWaalsContact C-N 3.31Å; A293-N295 PolarHBondContact O-N 3.12Å; N295-G297 PolarHBondContact O-N 2.81Å; N295-G297 VanDerWaalsContact O-N 3.13Å
296S94.5Very high94.7Very high89 Ų8949.4 Ų49.462%0.62228%0.277SS*.THydrogen-bonded Turntrans-83.723-177.1-56.60000113.4T292 A293 L294T292-S296 PolarHBondContact O-N 3.08Å; T292-S296 PolarHBondContact O-OG 3.01Å; A293-S296 WeakPolarHBondContact O-CB 3.27Å; A293-S296 PolarHBondContact O-N 2.82Å; L294-S296 PolarHBondContact O-N 2.92Å
297G93.6Very high95.2Very high65 Ų6543 Ų4367%0.6725%0.251SS*.THydrogen-bonded Turntrans83.544.7-179.200000113.5N295N295-G297 PolarHBondContact O-N 2.81Å; N295-G297 VanDerWaalsContact O-N 3.13Å
298T96.3Very high95.5Very high13 Ų1342 Ų428%0.0825%0.247CC..PPolyproline II helixtrans-65.2126.1-179.9-68.80000111.7I2 H267 A293 L294 H301I2-T298 HydrophobicContact CD1-CG2 4.32Å; I2-T298 WeakPolarHBondContact CD1-OG1 3.45Å; I2-T298 HydrophobicContact CG1-CG2 3.87Å; I2-T298 VanDerWaalsContact CG1-OG1 3.28Å; I2-T298 WeakPolarHBondContact CG1-OG1 3.48Å; H267-T298 HydrophobicContact CB-CG2 3.98Å; A293-T298 PolarHBondContact O-OG1 3.13Å; A293-T298 VanDerWaalsContact O-OG1 3.05Å; L294-T298 VanDerWaalsContact CA-OG1 3.28Å; L294-T298 WeakPolarHBondContact CA-OG1 3.46Å; L294-T298 HydrophobicContact CD2-CG2 3.77Å; L294-T298 PolarHBondContact O-N 2.87Å; L294-T298 PolarHBondContact O-OG1 2.96Å; T298-H301 VanDerWaalsContact CG2-CE1 3.49Å; T298-H301 WeakPolarHBondContact CG2-CE1 3.43Å
299P97.2Very high95.7Very high20 Ų2036.9 Ų36.913%0.1322%0.223CC..PPolyproline II helixtrans-70.8158176.930.9-36.2000111A36 F37 H301A36-P299 HydrophobicContact CB-CB 4.29Å; A36-P299 HydrophobicContact CB-CG 3.99Å; F37-P299 HydrophobicContact CD1-CB 4.39Å; F37-P299 HydrophobicContact CE1-CB 3.74Å; F37-P299 HydrophobicContact CE2-CB 3.93Å; F37-P299 HydrophobicContact CZ-CB 3.48Å; F37-P299 VanDerWaalsContact CZ-CB 3.48Å; P299-H301 PolarHBondContact O-N 3.04Å; P299-H301 PolarHBondContact O-ND1 2.82Å
300P96.8Very high95.8Very high50 Ų5031.6 Ų31.633%0.32520%0.202SC..PPolyproline II helixtrans-52.6131.4161.5-21.933.1000109.1A36 F37A36-P300 CarbonylContact C-O 3.59Å; A36-P300 WeakPolarHBondContact CA-O 3.43Å; F37-P300 PolarHBondContact N-O 2.85Å
301H98.1Very high95.8Very high13 Ų1330.2 Ų30.26%0.0620%0.196CC..EExtended strand (participates in β ladder)trans-151159.9-176.960.7-72.5000110.8M1 E34 M35 R265 T298 P299M1-H301 HydrophobicContact CB-CB 4Å; M1-H301 HydrophobicContact CG-CB 3.81Å; E34-H301 IonicContact OE1-CD2 2.61Å; E34-H301 PolarHBondContact OE1-CD2 2.91Å; M35-H301 WeakPolarHBondContact O-CA 3.4Å; M35-H301 VanDerWaalsContact O-CB 3.3Å; M35-H301 WeakPolarHBondContact O-CB 3.08Å; R265-H301 VanDerWaalsContact CB-NE2 3.33Å; R265-H301 WeakPolarHBondContact CB-NE2 3.47Å; R265-H301 VanDerWaalsContact CG-CD2 3.42Å; R265-H301 WeakPolarHBondContact CG-CD2 3.31Å; R265-H301 PolarHBondContact N-O 2.79Å; T298-H301 VanDerWaalsContact CG2-CE1 3.49Å; T298-H301 WeakPolarHBondContact CG2-CE1 3.43Å; P299-H301 PolarHBondContact O-N 3.04Å; P299-H301 PolarHBondContact O-ND1 2.82Å
302G98Very high95.8Very high0 Ų033 Ų330%021%0.21CC..EExtended strand (participates in β ladder)trans-160.5170.9177.400000110.5E34 M35 S263E34-G302 CarbonylContact C-O 3.55Å; E34-G302 WeakPolarHBondContact CA-O 3.37Å; E34-G302 VanDerWaalsContact CD-C 3.48Å; E34-G302 VanDerWaalsContact OE1-C 3.23Å; M35-G302 PolarHBondContact N-O 3.24Å; M35-G302 PolarHBondContact O-N 3Å; S263-G302 VanDerWaalsContact O-CA 3.25Å; S263-G302 WeakPolarHBondContact O-CA 3.49Å
303G97.8Very high95.7Very high0 Ų029.5 Ų29.50%019%0.19CC..EExtended strand (participates in β ladder)trans-169.2176.6-178.300000113.1I33 E34 Y250 G262 S263I33-G303 CarbonylContact O-C 3.59Å; I33-G303 WeakPolarHBondContact O-CA 3.4Å; E34-G303 WeakPolarHBondContact OE2-CA 3.16Å; Y250-G303 PolarHBondContact OH-O 3.12Å; G262-G303 CarbonylContact C-O 3.44Å; G262-G303 WeakPolarHBondContact CA-O 3.25Å; S263-G303 PolarHBondContact N-O 3.34Å; S263-G303 PolarHBondContact O-N 3.34Å
304I98.3Very high95.6Very high0 Ų029 Ų290%018%0.183CC..EExtended strand (participates in β ladder)trans-145.8142-178.8-170.6174.2000109.2I33 I43 I47 W205 Y250 G261 L306I33-I304 HydrophobicContact CB-CG2 4.21Å; I33-I304 PolarHBondContact N-O 3.46Å; I33-I304 PolarHBondContact O-N 3.27Å; I43-I304 HydrophobicContact CG2-CB 3.99Å; I43-I304 HydrophobicContact CG2-CD1 4.33Å; I43-I304 HydrophobicContact CG2-CG2 3.84Å; I47-I304 HydrophobicContact CD1-CD1 4.46Å; I47-I304 HydrophobicContact CD1-CG2 3.52Å; I47-I304 HydrophobicContact CG1-CD1 4.13Å; I47-I304 HydrophobicContact CG1-CG2 3.83Å; W205-I304 HydrophobicContact CH2-CD1 3.65Å; W205-I304 HydrophobicContact CZ3-CD1 3.67Å; Y250-I304 HydrophobicContact CE2-CB 4.25Å; Y250-I304 HydrophobicContact CE2-CD1 4.37Å; Y250-I304 HydrophobicContact CE2-CG1 4.46Å; G261-I304 WeakPolarHBondContact O-CG1 3.18Å; I304-L306 HydrophobicContact CD1-CD2 3.89Å; I304-L306 HydrophobicContact CG1-CD2 4.22Å
305A98Very high95.4Very high16 Ų1629.7 Ų29.713%0.13219%0.186CC..EExtended strand (participates in β ladder)trans-112.9124.1170.100000109.3L31 G260 G261L31-A305 WeakPolarHBondContact O-CA 3.33Å; G260-A305 WeakPolarHBondContact CA-O 3.29Å; G261-A305 PolarHBondContact N-O 2.65Å; G261-A305 PolarHBondContact O-N 3.29Å
306L97.5Very high95.2Very high1 Ų127.9 Ų27.91%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-96.7130.3172.3-56.7-176.9000109.9Q30 L31 I47 M50 L252 V259 I304 L308Q30-L306 CarbonylContact C-O 3.43Å; Q30-L306 WeakPolarHBondContact CA-O 3.2Å; L31-L306 HydrophobicContact CB-CB 4.32Å; L31-L306 HydrophobicContact CD2-CD1 4.34Å; L31-L306 PolarHBondContact N-O 3.21Å; L31-L306 PolarHBondContact O-N 3.39Å; I47-L306 HydrophobicContact CD1-CD1 4.13Å; I47-L306 HydrophobicContact CD1-CG 4.43Å; I47-L306 HydrophobicContact CG2-CD1 4.43Å; I47-L306 HydrophobicContact CG2-CD2 4.46Å; M50-L306 HydrophobicContact CE-CD1 3.43Å; M50-L306 VanDerWaalsContact CE-CD1 3.43Å; M50-L306 HydrophobicContact SD-CD1 4.44Å; L252-L306 HydrophobicContact CD2-CD2 4.26Å; V259-L306 WeakPolarHBondContact O-CA 3.42Å; I304-L306 HydrophobicContact CD1-CD2 3.89Å; I304-L306 HydrophobicContact CG1-CD2 4.22Å; L306-L308 PolarHBondContact O-N 2.93Å; L306-L308 VanDerWaalsContact O-N 3.12Å
307G95.8Very high94.9Very high15 Ų1530.7 Ų30.716%0.15519%0.187CC..EExtended strand (participates in β ladder)trans-76.195.5172.800000110.5V259 D309 R310 L311V259-G307 PolarHBondContact O-N 3.44Å; G307-D309 PolarHBondContact O-N 3.38Å; G307-R310 PolarHBondContact O-N 3.43Å; G307-L311 WeakPolarHBondContact O-CB 3.24Å; G307-L311 PolarHBondContact O-N 2.79Å
308L95.6Very high94.8Very high34 Ų3428.9 Ų28.918%0.17817%0.166CC..Hα-helixtrans-62.8-42.7-172.7-71.4-177.8000112.4V11 T29 L31 L306 R310 L311 I312V11-L308 HydrophobicContact CG1-CD1 3.77Å; V11-L308 HydrophobicContact CG2-CD1 4.29Å; T29-L308 HydrophobicContact CG2-CD1 3.99Å; T29-L308 PolarHBondContact O-N 3.12Å; L31-L308 HydrophobicContact CB-CD1 4.08Å; L31-L308 HydrophobicContact CB-CD2 3.81Å; L31-L308 HydrophobicContact CB-CG 3.94Å; L306-L308 PolarHBondContact O-N 2.93Å; L306-L308 VanDerWaalsContact O-N 3.12Å; L308-R310 VanDerWaalsContact C-N 3.26Å; L308-R310 PolarHBondContact O-N 3.27Å; L308-L311 PolarHBondContact O-N 3.16Å; L308-I312 WeakPolarHBondContact O-CB 3.25Å; L308-I312 VanDerWaalsContact O-CG1 3.25Å; L308-I312 WeakPolarHBondContact O-CG1 3.07Å; L308-I312 PolarHBondContact O-N 2.93Å
309D94.5Very high94.4Very high15 Ų1538 Ų388%0.0820%0.204CC..Hα-helixtrans-60.5-40.9179.5-49.1-55.4000110.6F28 T29 G307 A313 V324 I325F28-D309 WeakPolarHBondContact CA-OD2 3.42Å; F28-D309 WeakPolarHBondContact CB-OD2 3.32Å; T29-D309 PolarHBondContact N-OD2 2.84Å; T29-D309 PolarHBondContact OG1-OD1 3.09Å; G307-D309 PolarHBondContact O-N 3.38Å; D309-A313 WeakPolarHBondContact O-CB 3.48Å; D309-A313 PolarHBondContact O-N 2.75Å; D309-V324 HydrophobicContact CB-CG2 4.31Å; D309-V324 VanDerWaalsContact O-CG2 3.3Å; D309-V324 WeakPolarHBondContact O-CG2 3.23Å; D309-I325 HydrophobicContact CB-CD1 4.3Å; D309-I325 HydrophobicContact CB-CG1 4.39Å
310R93.3Very high94.1Very high52 Ų5238.1 Ų38.120%0.19621%0.205CC..Hα-helixtrans-68.5-44.2177.4-174175.9-68.1154.23.8111.8D23 E258 G307 L308 A313 I314D23-R310 PolarHBondContact O-NH2 3.41Å; D23-R310 IonicContact OD2-NH2 2.69Å; D23-R310 PolarHBondContact OD2-NH2 3.49Å; E258-R310 WeakPolarHBondContact O-CD 3.21Å; E258-R310 PolarHBondContact O-NH1 3.07Å; G307-R310 PolarHBondContact O-N 3.43Å; L308-R310 VanDerWaalsContact C-N 3.26Å; L308-R310 PolarHBondContact O-N 3.27Å; R310-A313 PolarHBondContact O-N 2.95Å; R310-I314 HydrophobicContact CG-CD1 3.96Å; R310-I314 VanDerWaalsContact O-CG1 3.3Å; R310-I314 WeakPolarHBondContact O-CG1 3.3Å; R310-I314 PolarHBondContact O-N 3.24Å
311L93.8Very high93.9Very high8 Ų836.3 Ų36.34%0.04219%0.193CC..Hα-helixtrans-61.3-46.1179.2-171.170000111.2L51 F203 V259 G307 L308 I314 F315L51-L311 HydrophobicContact CD2-CD2 4.28Å; F203-L311 HydrophobicContact CE1-CD1 4.35Å; F203-L311 HydrophobicContact CZ-CD1 4.48Å; V259-L311 HydrophobicContact CB-CD1 4.09Å; V259-L311 HydrophobicContact CG1-CD1 4.23Å; V259-L311 HydrophobicContact CG2-CD1 4.33Å; G307-L311 WeakPolarHBondContact O-CB 3.24Å; G307-L311 PolarHBondContact O-N 2.79Å; L308-L311 PolarHBondContact O-N 3.16Å; L311-I314 PolarHBondContact O-N 3.16Å; L311-F315 HydrophobicContact CD1-CE1 3.91Å; L311-F315 HydrophobicContact CD1-CE2 4.01Å; L311-F315 HydrophobicContact CD1-CZ 3.49Å; L311-F315 VanDerWaalsContact CD1-CZ 3.49Å; L311-F315 HydrophobicContact CD2-CE2 3.78Å; L311-F315 HydrophobicContact CD2-CZ 3.95Å; L311-F315 HydrophobicContact CG-CD2 4.15Å; L311-F315 HydrophobicContact CG-CE1 4.24Å; L311-F315 HydrophobicContact CG-CE2 3.47Å; L311-F315 VanDerWaalsContact CG-CE2 3.47Å; L311-F315 HydrophobicContact CG-CZ 3.52Å; L311-F315 WeakPolarHBondContact O-CD2 3.34Å; L311-F315 WeakPolarHBondContact O-CG 3.49Å; L311-F315 PolarHBondContact O-N 3.03Å
312I93.7Very high93.6Very high77 Ų7739 Ų3940%0.39520%0.203SC..Hα-helixtrans-65.2-44.2177.2-63.8167.4000110.5L308 I314 F315 V316 V324L308-I312 WeakPolarHBondContact O-CB 3.25Å; L308-I312 VanDerWaalsContact O-CG1 3.25Å; L308-I312 WeakPolarHBondContact O-CG1 3.07Å; L308-I312 PolarHBondContact O-N 2.93Å; I312-I314 VanDerWaalsContact C-N 3.27Å; I312-I314 PolarHBondContact O-N 3.47Å; I312-F315 PolarHBondContact O-N 3.35Å; I312-F315 VanDerWaalsContact O-N 3.12Å; I312-V316 HydrophobicContact CG2-CG1 4.48Å; I312-V316 WeakPolarHBondContact O-CG2 3.42Å; I312-V316 PolarHBondContact O-N 2.85Å; I312-V324 HydrophobicContact CG2-CB 3.99Å; I312-V324 HydrophobicContact CG2-CG1 3.89Å
313A92.8Very high93.4Very high8 Ų844 Ų447%0.06623%0.23CC..Hα-helixtrans-57.3-41.4176.500000112.2D309 R310 N317 A318 I321 V324D309-A313 WeakPolarHBondContact O-CB 3.48Å; D309-A313 PolarHBondContact O-N 2.75Å; R310-A313 PolarHBondContact O-N 2.95Å; A313-N317 PolarHBondContact O-N 2.95Å; A313-N317 VanDerWaalsContact O-N 3.14Å; A313-A318 HydrophobicContact CB-CB 4.06Å; A313-A318 PolarHBondContact O-N 3.41Å; A313-I321 HydrophobicContact CB-CG2 4.08Å; A313-V324 HydrophobicContact CB-CG1 4.19Å; A313-V324 HydrophobicContact CB-CG2 4.05Å
314I91.4Very high93.2Very high17 Ų1745.9 Ų45.99%0.08724%0.241CC..Hα-helixtrans-64.5-46.9174.5-71.6165.2000110.7F201 Q257 V259 R310 L311 I312 V316 N317F201-I314 HydrophobicContact CD1-CG2 3.78Å; F201-I314 HydrophobicContact CE1-CG2 3.5Å; F201-I314 WeakPolarHBondContact CE1-O 3.3Å; Q257-I314 HydrophobicContact CB-CD1 3.93Å; Q257-I314 HydrophobicContact CG-CD1 4.45Å; V259-I314 HydrophobicContact CG1-CD1 3.41Å; V259-I314 VanDerWaalsContact CG1-CD1 3.41Å; R310-I314 HydrophobicContact CG-CD1 3.96Å; R310-I314 VanDerWaalsContact O-CG1 3.3Å; R310-I314 WeakPolarHBondContact O-CG1 3.3Å; R310-I314 PolarHBondContact O-N 3.24Å; L311-I314 PolarHBondContact O-N 3.16Å; I312-I314 VanDerWaalsContact C-N 3.27Å; I312-I314 PolarHBondContact O-N 3.47Å; I314-V316 VanDerWaalsContact C-N 3.34Å; I314-V316 PolarHBondContact O-N 3.22Å; I314-N317 PolarHBondContact O-N 3.15Å
315F91.8Very high93Very high18 Ų1847.2 Ų47.28%0.07925%0.248CC..Hα-helixtrans-61.3-37.3-179.2-68.5-20.8000114.2L51 I54 W55 V58 S62 F201 F203 L311 I312L51-F315 HydrophobicContact CD2-CZ 4.08Å; I54-F315 HydrophobicContact CD1-CE2 3.94Å; I54-F315 HydrophobicContact CD1-CZ 4.39Å; W55-F315 HydrophobicContact CH2-CE1 4.37Å; W55-F315 AromaticContact CZ3-CE1 3.91Å; W55-F315 HydrophobicContact CZ3-CE1 3.91Å; W55-F315 HydrophobicContact CZ3-CZ 4.25Å; V58-F315 HydrophobicContact CG1-CB 4.07Å; V58-F315 HydrophobicContact CG1-CD1 3.93Å; V58-F315 HydrophobicContact CG1-CD2 4.32Å; V58-F315 HydrophobicContact CG1-CE1 4.43Å; V58-F315 HydrophobicContact CG1-CG 3.87Å; V58-F315 HydrophobicContact CG2-CD2 3.75Å; V58-F315 HydrophobicContact CG2-CE2 3.82Å; V58-F315 HydrophobicContact CG2-CG 4.17Å; V58-F315 HydrophobicContact CG2-CZ 4.31Å; S62-F315 WeakPolarHBondContact CB-O 3.33Å; F201-F315 HydrophobicContact CD1-CD1 4.45Å; F201-F315 HydrophobicContact CE1-CD1 4.04Å; F201-F315 HydrophobicContact CZ-CD1 4.1Å; F203-F315 AromaticContact CZ-CE1 3.94Å; F203-F315 HydrophobicContact CZ-CE1 3.94Å; F203-F315 HydrophobicContact CZ-CZ 4.33Å; L311-F315 HydrophobicContact CD1-CE1 3.91Å; L311-F315 HydrophobicContact CD1-CE2 4.01Å; L311-F315 HydrophobicContact CD1-CZ 3.49Å; L311-F315 VanDerWaalsContact CD1-CZ 3.49Å; L311-F315 HydrophobicContact CD2-CE2 3.78Å; L311-F315 HydrophobicContact CD2-CZ 3.95Å; L311-F315 HydrophobicContact CG-CD2 4.15Å; L311-F315 HydrophobicContact CG-CE1 4.24Å; L311-F315 HydrophobicContact CG-CE2 3.47Å; L311-F315 VanDerWaalsContact CG-CE2 3.47Å; L311-F315 HydrophobicContact CG-CZ 3.52Å; L311-F315 WeakPolarHBondContact O-CD2 3.34Å; L311-F315 WeakPolarHBondContact O-CG 3.49Å; L311-F315 PolarHBondContact O-N 3.03Å; I312-F315 PolarHBondContact O-N 3.35Å; I312-F315 VanDerWaalsContact O-N 3.12Å
316V90.8Very high93Very high74 Ų7450.5 Ų50.545%0.44828%0.275SS..THydrogen-bonded Turntrans-956.3179.6-520000113.1I312 I314 A318 V324I312-V316 HydrophobicContact CG2-CG1 4.48Å; I312-V316 WeakPolarHBondContact O-CG2 3.42Å; I312-V316 PolarHBondContact O-N 2.85Å; I314-V316 VanDerWaalsContact C-N 3.34Å; I314-V316 PolarHBondContact O-N 3.22Å; V316-A318 HydrophobicContact CG2-CB 3.85Å; V316-A318 PolarHBondContact O-N 2.94Å; V316-V324 HydrophobicContact CG2-CG1 3.82Å
317N88.8Confident92.8Very high148 Ų14856.9 Ų56.979%0.79130%0.303SS*.THydrogen-bonded Turntrans51.741.3-175.6-166.538.6000113A313 I314A313-N317 PolarHBondContact O-N 2.95Å; A313-N317 VanDerWaalsContact O-N 3.14Å; I314-N317 PolarHBondContact O-N 3.15Å
318A90.4Very high92.8Very high28 Ų2858.2 Ų58.223%0.23131%0.309CS..  trans-68.7145.8175.800000111.1A313 V316 S320 D323 V324A313-A318 HydrophobicContact CB-CB 4.06Å; A313-A318 PolarHBondContact O-N 3.41Å; V316-A318 HydrophobicContact CG2-CB 3.85Å; V316-A318 PolarHBondContact O-N 2.94Å; A318-S320 VanDerWaalsContact C-N 3.3Å; A318-D323 HydrophobicContact CB-CB 4.01Å; A318-V324 HydrophobicContact CB-CG1 4.12Å
319K88.2Confident92.6Very high203 Ų20358.7 Ų58.788%0.88331%0.309SS*.SBendtrans-73.7-27.5177.5-67.8-175.6179.4-1790111.9D323K319-D323 PolarHBondContact N-OD2 3.03Å
320S90.6Very high92.3Very high23 Ų2358.7 Ų58.716%0.16131%0.312CS..SBendtrans-143.4149.1-177-179.60000110.2S22 A318 R322 D323S22-S320 PolarHBondContact O-OG 3.26Å; A318-S320 VanDerWaalsContact C-N 3.3Å; S320-R322 PolarHBondContact O-N 2.93Å; S320-R322 VanDerWaalsContact O-N 3.11Å; S320-R322 WeakPolarHBondContact OG-CB 3.33Å; S320-R322 WeakPolarHBondContact OG-CG 3.37Å; S320-R322 PolarHBondContact OG-N 3.14Å; S320-D323 PolarHBondContact N-OD2 3.06Å; S320-D323 WeakPolarHBondContact O-CB 3.28Å; S320-D323 PolarHBondContact O-N 3.08Å
321I92.2Very high91.9Very high13 Ų1359.3 Ų59.37%0.06733%0.328CS..G310 helixtrans-62.3-17.8170.163.1165.6000112D23 Q25 A313 D323 V324 I325D23-I321 WeakPolarHBondContact O-CD1 3.18Å; Q25-I321 HydrophobicContact CB-CD1 4.4Å; Q25-I321 HydrophobicContact CG-CD1 3.72Å; Q25-I321 HydrophobicContact CG-CG1 4.25Å; A313-I321 HydrophobicContact CB-CG2 4.08Å; I321-D323 PolarHBondContact O-N 3.13Å; I321-V324 WeakPolarHBondContact O-CG2 3.39Å; I321-V324 PolarHBondContact O-N 3.16Å; I321-I325 WeakPolarHBondContact O-CD1 3.36Å; I321-I325 WeakPolarHBondContact O-CG1 3.42Å
322R92.3Very high91.5Very high69 Ų6963.5 Ų63.526%0.2635%0.351SS..G310 helixtrans-64.6-27.6174.1-61.3-176.5-170.7167.82.1112.5S320 V324 I325 P328 K329 A331S320-R322 PolarHBondContact O-N 2.93Å; S320-R322 VanDerWaalsContact O-N 3.11Å; S320-R322 WeakPolarHBondContact OG-CB 3.33Å; S320-R322 WeakPolarHBondContact OG-CG 3.37Å; S320-R322 PolarHBondContact OG-N 3.14Å; R322-V324 PolarHBondContact O-N 2.85Å; R322-I325 PolarHBondContact O-N 3.43Å; R322-P328 HydrophobicContact CB-CB 3.66Å; R322-P328 HydrophobicContact CB-CG 3.93Å; R322-P328 HydrophobicContact CG-CB 3.81Å; R322-P328 HydrophobicContact CG-CG 4.5Å; R322-K329 PolarHBondContact NE-O 2.71Å; R322-K329 VanDerWaalsContact NE-O 3.16Å; R322-A331 VanDerWaalsContact NH2-CA 3.32Å
323D93Very high91.1Very high106 Ų10661.1 Ų61.157%0.56735%0.345SS*.G310 helixtrans-74.7-12.2-178.1-56.2-32.4000112.2A318 K319 S320 I321A318-D323 HydrophobicContact CB-CB 4.01Å; K319-D323 PolarHBondContact N-OD2 3.03Å; S320-D323 PolarHBondContact N-OD2 3.06Å; S320-D323 WeakPolarHBondContact O-CB 3.28Å; S320-D323 PolarHBondContact O-N 3.08Å; I321-D323 PolarHBondContact O-N 3.13Å
324V93.8Very high90.9Very high38 Ų3865.5 Ų65.523%0.2336%0.362CS..G310 helixtrans-112.15.2179.1-56.70000113.2D309 I312 A313 V316 A318 I321 R322D309-V324 HydrophobicContact CB-CG2 4.31Å; D309-V324 VanDerWaalsContact O-CG2 3.3Å; D309-V324 WeakPolarHBondContact O-CG2 3.23Å; I312-V324 HydrophobicContact CG2-CB 3.99Å; I312-V324 HydrophobicContact CG2-CG1 3.89Å; A313-V324 HydrophobicContact CB-CG1 4.19Å; A313-V324 HydrophobicContact CB-CG2 4.05Å; V316-V324 HydrophobicContact CG2-CG1 3.82Å; A318-V324 HydrophobicContact CB-CG1 4.12Å; I321-V324 WeakPolarHBondContact O-CG2 3.39Å; I321-V324 PolarHBondContact O-N 3.16Å; R322-V324 PolarHBondContact O-N 2.85Å
325I95.6Very high91Very high28 Ų2865.4 Ų65.414%0.14436%0.362CS..SBendtrans-111132176.1-65.2167.6000107.6Q25 D309 I321 R322 F327 P328Q25-I325 HydrophobicContact CG-CD1 3.8Å; D309-I325 HydrophobicContact CB-CD1 4.3Å; D309-I325 HydrophobicContact CB-CG1 4.39Å; I321-I325 WeakPolarHBondContact O-CD1 3.36Å; I321-I325 WeakPolarHBondContact O-CG1 3.42Å; R322-I325 PolarHBondContact O-N 3.43Å; I325-F327 PolarHBondContact O-N 2.88Å; I325-P328 HydrophobicContact CB-CB 4.21Å; I325-P328 HydrophobicContact CG2-CB 4.19Å; I325-P328 WeakPolarHBondContact O-CD 3.46Å
326A96.4Very high91.1Very high86 Ų8671.4 Ų71.471%0.71140%0.395SS*.SBendtrans-62.6-40-176.200000113.6
327F95.1Very high91.3Very high134 Ų13474 Ų7459%0.58841%0.405SS*.SBendtrans-133.271.2-179.6-58.1-72.7000111I325 K329 L337I325-F327 PolarHBondContact O-N 2.88Å; F327-K329 PolarHBondContact O-NZ 3.05Å; F327-L337 HydrophobicContact CD1-CD2 3.65Å; F327-L337 HydrophobicContact CE1-CD2 3.65Å
328P93.9Very high91.5Very high44 Ų4471.3 Ų71.329%0.28640%0.397SS..  trans-72.3158.6-17632.7-34.3000111.2R322 I325R322-P328 HydrophobicContact CB-CB 3.66Å; R322-P328 HydrophobicContact CB-CG 3.93Å; R322-P328 HydrophobicContact CG-CB 3.81Å; R322-P328 HydrophobicContact CG-CG 4.5Å; I325-P328 HydrophobicContact CB-CB 4.21Å; I325-P328 HydrophobicContact CG2-CB 4.19Å; I325-P328 WeakPolarHBondContact O-CD 3.46Å
329K91.3Very high91.6Very high43 Ų4372.5 Ų72.519%0.18741%0.412CS..  trans-95.2148.7174.3-56.6-64.7176-970111.2Q25 P26 R322 F327 K334 D335Q25-K329 PolarHBondContact NE2-O 3.41Å; Q25-K329 PolarHBondContact OE1-O 3.28Å; P26-K329 HydrophobicContact CG-CB 4.23Å; P26-K329 HydrophobicContact CG-CG 4.04Å; R322-K329 PolarHBondContact NE-O 2.71Å; R322-K329 VanDerWaalsContact NE-O 3.16Å; F327-K329 PolarHBondContact O-NZ 3.05Å; K329-K334 WeakPolarHBondContact CA-O 3.34Å; K329-D335 HydrophobicContact CD-CB 3.73Å; K329-D335 IonicContact NZ-OD2 3.5Å; K329-D335 PolarHBondContact NZ-OD2 3.27Å
330A88.7Confident91.8Very high15 Ų1565.4 Ų65.412%0.12439%0.386CS..  trans-66.3175.7173.700000111.8D332 G333 K334 L336A330-D332 WeakPolarHBondContact CB-OD1 3.49Å; A330-D332 PolarHBondContact O-N 2.82Å; A330-G333 PolarHBondContact O-N 2.96Å; A330-K334 WeakPolarHBondContact CB-O 3.46Å; A330-K334 PolarHBondContact N-O 3.12Å; A330-L336 HydrophobicContact CB-CD1 4.24Å; A330-L336 HydrophobicContact CB-CD2 4.29Å; A330-L336 HydrophobicContact CB-CG 4.11Å
331A85.1Confident91.9Very high66 Ų6669.2 Ų69.255%0.54541%0.41SS..THydrogen-bonded Turntrans-67.1-20.2-175.700000113.8S20 R322 G333S20-A331 WeakPolarHBondContact CB-O 3.28Å; S20-A331 WeakPolarHBondContact OG-CA 3.46Å; S20-A331 PolarHBondContact OG-O 3.02Å; R322-A331 VanDerWaalsContact NH2-CA 3.32Å; A331-G333 VanDerWaalsContact C-N 3.34Å
332D84.7Confident91.9Very high96 Ų9673.9 Ų73.951%0.51344%0.439SS..THydrogen-bonded Turntrans-96.414.4174.262.6-11.8000112.4A330 K334A330-D332 WeakPolarHBondContact CB-OD1 3.49Å; A330-D332 PolarHBondContact O-N 2.82Å; D332-K334 PolarHBondContact O-N 3.3Å; D332-K334 WeakPolarHBondContact OD1-CB 3.16Å; D332-K334 WeakPolarHBondContact OD1-CG 3.28Å; D332-K334 PolarHBondContact OD1-N 3.16Å; D332-K334 WeakPolarHBondContact OD2-CD 3.36Å; D332-K334 VanDerWaalsContact OD2-CE 3.23Å; D332-K334 WeakPolarHBondContact OD2-CE 3.49Å; D332-K334 IonicContact OD2-NZ 2.74Å; D332-K334 PolarHBondContact OD2-NZ 2.84Å
333G86.5Confident91.8Very high27 Ų2777.7 Ų77.728%0.27846%0.461SS..SBendtrans78.2-0.9-179.800000114.5A330 A331A330-G333 PolarHBondContact O-N 2.96Å; A331-G333 VanDerWaalsContact C-N 3.34Å
334K89.4Confident91.8Very high99 Ų9976 Ų7643%0.4346%0.455SS..  trans-75.9143.3-177.8-64.8-175.3-173.8132.30112.8K329 A330 D332 T340K329-K334 WeakPolarHBondContact CA-O 3.34Å; A330-K334 WeakPolarHBondContact CB-O 3.46Å; A330-K334 PolarHBondContact N-O 3.12Å; D332-K334 PolarHBondContact O-N 3.3Å; D332-K334 WeakPolarHBondContact OD1-CB 3.16Å; D332-K334 WeakPolarHBondContact OD1-CG 3.28Å; D332-K334 PolarHBondContact OD1-N 3.16Å; D332-K334 WeakPolarHBondContact OD2-CD 3.36Å; D332-K334 VanDerWaalsContact OD2-CE 3.23Å; D332-K334 WeakPolarHBondContact OD2-CE 3.49Å; D332-K334 IonicContact OD2-NZ 2.74Å; D332-K334 PolarHBondContact OD2-NZ 2.84Å; K334-T340 CarbonylContact C-O 3.49Å; K334-T340 WeakPolarHBondContact CA-O 3.5Å
335D93.2Very high91.8Very high15 Ų1579.9 Ų79.98%0.0848%0.475CS..BIsolated β-bridgetrans-86.8111.1164.2-163.8-39.2000109.5K329 L337 C338 G339 T340K329-D335 HydrophobicContact CD-CB 3.73Å; K329-D335 IonicContact NZ-OD2 3.5Å; K329-D335 PolarHBondContact NZ-OD2 3.27Å; D335-L337 VanDerWaalsContact C-N 3.28Å; D335-L337 PolarHBondContact O-N 2.75Å; D335-L337 VanDerWaalsContact OD1-CB 3.31Å; D335-L337 WeakPolarHBondContact OD1-CB 3.41Å; D335-L337 PolarHBondContact OD1-N 2.71Å; D335-C338 PolarHBondContact OD1-N 3.09Å; D335-G339 VanDerWaalsContact O-CA 3.29Å; D335-G339 WeakPolarHBondContact O-CA 3.47Å; D335-G339 PolarHBondContact O-N 2.72Å; D335-T340 WeakPolarHBondContact CB-OG1 3.44Å; D335-T340 PolarHBondContact N-O 3.43Å; D335-T340 PolarHBondContact O-N 3.43Å
336L92.8Very high91.6Very high145 Ų14584.8 Ų84.876%0.75950%0.501SS*.THydrogen-bonded Turntrans-74.5-19.1-179.5-59.3-179.9000112.9A330A330-L336 HydrophobicContact CB-CD1 4.24Å; A330-L336 HydrophobicContact CB-CD2 4.29Å; A330-L336 HydrophobicContact CB-CG 4.11Å
337L94.9Very high91.5Very high128 Ų12887.6 Ų87.667%0.6750%0.5SS*.THydrogen-bonded Turntrans-78.1-47.8178.9178.165.1000110.8F327 D335F327-L337 HydrophobicContact CD1-CD2 3.65Å; F327-L337 HydrophobicContact CE1-CD2 3.65Å; D335-L337 VanDerWaalsContact C-N 3.28Å; D335-L337 PolarHBondContact O-N 2.75Å; D335-L337 VanDerWaalsContact OD1-CB 3.31Å; D335-L337 WeakPolarHBondContact OD1-CB 3.41Å; D335-L337 PolarHBondContact OD1-N 2.71Å
338C94.2Very high91.5Very high91 Ų9184.6 Ų84.662%0.61549%0.489SS*.THydrogen-bonded Turntrans-95.5-13.4-175.8-640000113.6D335 T340D335-C338 PolarHBondContact OD1-N 3.09Å; C338-T340 HydrophobicContact CB-CG2 4.04Å
339G92.3Very high91.5Very high53 Ų5383.5 Ų83.555%0.54648%0.48SS..THydrogen-bonded Turntrans71.434-175.600000113.5D335D335-G339 VanDerWaalsContact O-CA 3.29Å; D335-G339 WeakPolarHBondContact O-CA 3.47Å; D335-G339 PolarHBondContact O-N 2.72Å
340T92.2Very high91.7Very high55 Ų5585 Ų8534%0.33750%0.497SS..BIsolated β-bridgetrans-105.4156.3-179.161.50000112K334 D335 C338K334-T340 CarbonylContact C-O 3.49Å; K334-T340 WeakPolarHBondContact CA-O 3.5Å; D335-T340 WeakPolarHBondContact CB-OG1 3.44Å; D335-T340 PolarHBondContact N-O 3.43Å; D335-T340 PolarHBondContact O-N 3.43Å; C338-T340 HydrophobicContact CB-CG2 4.04Å
341P92.4Very high92Very high103 Ų10390.6 Ų90.667%0.66952%0.52SS*.SBendcis-64.3155.1-9.329.4-36.9000112.9
342T92.3Very high92.5Very high111 Ų11195.4 Ų95.468%0.68153%0.525SS*.  trans-128.5168.9177.2-1720000110.3
343M90.9Very high93Very high148 Ų14896.7 Ų96.773%0.72954%0.54SS*.  trans-66.8141.6173.5-66-61.2-66.300110.5
344V92.1Very high93.4Very high72 Ų72100.2 Ų100.244%0.43655%0.552SS.*  trans-104.8142.7176.4177.80000108.5I348 L349V344-I348 HydrophobicContact CG1-CB 3.67Å; V344-I348 HydrophobicContact CG1-CD1 4.05Å; V344-I348 HydrophobicContact CG1-CG1 4.44Å; V344-I348 HydrophobicContact CG1-CG2 3.64Å; V344-L349 HydrophobicContact CB-CD2 4.25Å; V344-L349 HydrophobicContact CB-CG 4.49Å; V344-L349 HydrophobicContact CG1-CD2 4.2Å; V344-L349 HydrophobicContact CG1-CG 4.32Å
345D93.1Very high93.5Very high119 Ų119100.6 Ų100.664%0.63657%0.567SS**  trans-63.1142.6-180-65.9-31000112.2E347 I348 L349D345-E347 PolarHBondContact O-N 3.04Å; D345-E347 VanDerWaalsContact O-N 3.15Å; D345-I348 WeakPolarHBondContact O-CB 3.48Å; D345-I348 PolarHBondContact O-N 3.08Å; D345-L349 PolarHBondContact O-N 2.95Å; D345-L349 VanDerWaalsContact O-N 3.11Å
346D92.2Very high93.4Very high131 Ų131103.9 Ų103.970%0.70159%0.587SS**Hα-helixtrans-58.7-29.6-179.6-72.1-29.5000112.7L349 S350D346-L349 PolarHBondContact O-N 3.23Å; D346-S350 WeakPolarHBondContact O-CB 3.38Å; D346-S350 PolarHBondContact O-N 3.5Å
347E94.5Very high93.1Very high145 Ų145100.9 Ų100.968%0.67858%0.578SS**Hα-helixtrans-60.9-44.7174-173.6176.8179.900111.2D345 S350 Q351D345-E347 PolarHBondContact O-N 3.04Å; D345-E347 VanDerWaalsContact O-N 3.15Å; E347-S350 PolarHBondContact O-N 3.31Å; E347-S350 PolarHBondContact O-OG 3.13Å; E347-Q351 PolarHBondContact O-N 2.88Å
348I94.4Very high92.2Very high71 Ų71100.5 Ų100.536%0.36458%0.577SS.*Hα-helixtrans-67.6-45.3177.4-62.8173000109.8V344 D345 S350 Q351 Y352V344-I348 HydrophobicContact CG1-CB 3.67Å; V344-I348 HydrophobicContact CG1-CD1 4.05Å; V344-I348 HydrophobicContact CG1-CG1 4.44Å; V344-I348 HydrophobicContact CG1-CG2 3.64Å; D345-I348 WeakPolarHBondContact O-CB 3.48Å; D345-I348 PolarHBondContact O-N 3.08Å; I348-S350 PolarHBondContact O-N 2.99Å; I348-Q351 WeakPolarHBondContact O-CB 3.25Å; I348-Q351 PolarHBondContact O-N 3.34Å; I348-Y352 HydrophobicContact CG2-CD2 4.24Å; I348-Y352 HydrophobicContact CG2-CE2 3.9Å; I348-Y352 VanDerWaalsContact O-CD2 3.27Å; I348-Y352 WeakPolarHBondContact O-CD2 3.42Å
349L94.6Very high90.6Very high20 Ų20102.7 Ų102.711%0.10558%0.582CS.*Hα-helixtrans-57.7-38.2178-64.1177.8000111.8V344 D345 D346 Q351 Y352 C353 I354 V356V344-L349 HydrophobicContact CB-CD2 4.25Å; V344-L349 HydrophobicContact CB-CG 4.49Å; V344-L349 HydrophobicContact CG1-CD2 4.2Å; V344-L349 HydrophobicContact CG1-CG 4.32Å; D345-L349 PolarHBondContact O-N 2.95Å; D345-L349 VanDerWaalsContact O-N 3.11Å; D346-L349 PolarHBondContact O-N 3.23Å; L349-Q351 VanDerWaalsContact C-N 3.3Å; L349-Q351 PolarHBondContact O-N 3.37Å; L349-Y352 PolarHBondContact O-N 2.86Å; L349-Y352 VanDerWaalsContact O-N 3.15Å; L349-C353 PolarHBondContact O-N 3.41Å; L349-I354 CarbonylContact C-O 3.59Å; L349-I354 HydrophobicContact CB-CG1 4.2Å; L349-I354 HydrophobicContact CD2-CD1 3.83Å; L349-I354 HydrophobicContact CD2-CG1 3.95Å; L349-I354 WeakPolarHBondContact O-CG1 3.37Å; L349-I354 PolarHBondContact O-N 3.08Å; L349-I354 VanDerWaalsContact O-N 3.12Å; L349-V356 HydrophobicContact CD1-CG2 3.89Å
350S94.5Very high88.8Confident76 Ų76108.1 Ų108.153%0.53160%0.598SS.*Hα-helixtrans-64.1-32177.380.60000113.5D346 E347 I348 Y352 C353D346-S350 WeakPolarHBondContact O-CB 3.38Å; D346-S350 PolarHBondContact O-N 3.5Å; E347-S350 PolarHBondContact O-N 3.31Å; E347-S350 PolarHBondContact O-OG 3.13Å; I348-S350 PolarHBondContact O-N 2.99Å; S350-Y352 PolarHBondContact O-N 3.34Å; S350-C353 PolarHBondContact O-N 3.3Å; S350-C353 VanDerWaalsContact O-N 3.13Å
351Q96.3Very high86.4Confident132 Ų132113.8 Ų113.862%0.61762%0.618SS**Hα-helixtrans-65.5-28.9175.9-65.1175.27.500112.3E347 I348 L349E347-Q351 PolarHBondContact O-N 2.88Å; I348-Q351 WeakPolarHBondContact O-CB 3.25Å; I348-Q351 PolarHBondContact O-N 3.34Å; L349-Q351 VanDerWaalsContact C-N 3.3Å; L349-Q351 PolarHBondContact O-N 3.37Å
352Y95.5Very high83.6Confident167 Ų167117.7 Ų117.766%0.65565%0.648SS**THydrogen-bonded Turntrans-95.25.2176.6-64.3-80.3000113.1I348 L349 S350 I354I348-Y352 HydrophobicContact CG2-CD2 4.24Å; I348-Y352 HydrophobicContact CG2-CE2 3.9Å; I348-Y352 VanDerWaalsContact O-CD2 3.27Å; I348-Y352 WeakPolarHBondContact O-CD2 3.42Å; L349-Y352 PolarHBondContact O-N 2.86Å; L349-Y352 VanDerWaalsContact O-N 3.15Å; S350-Y352 PolarHBondContact O-N 3.34Å; Y352-I354 PolarHBondContact O-N 3.12Å
353C95.4Very high83.2Confident123 Ų123118 Ų11883%0.83165%0.646SS**THydrogen-bonded Turntrans55.334.5-176-59.80000113.5L349 S350L349-C353 PolarHBondContact O-N 3.41Å; S350-C353 PolarHBondContact O-N 3.3Å; S350-C353 VanDerWaalsContact O-N 3.13Å
354I95.2Very high82.8Confident101 Ų101116.4 Ų116.452%0.51864%0.642SS.*  trans-118.5158.717860.8178.7000110.9L349 Y352L349-I354 CarbonylContact C-O 3.59Å; L349-I354 HydrophobicContact CB-CG1 4.2Å; L349-I354 HydrophobicContact CD2-CD1 3.83Å; L349-I354 HydrophobicContact CD2-CG1 3.95Å; L349-I354 WeakPolarHBondContact O-CG1 3.37Å; L349-I354 PolarHBondContact O-N 3.08Å; L349-I354 VanDerWaalsContact O-N 3.12Å; Y352-I354 PolarHBondContact O-N 3.12Å
355S91.5Very high82.2Confident107 Ų107118.9 Ų118.975%0.74865%0.653SS**  trans-144.8151.4173.160.40000109.9S357S355-S357 PolarHBondContact O-N 3.38Å
356V89.7Confident81.6Confident84 Ų84118.9 Ų118.951%0.50965%0.654SS.*  trans-77118.3176.9-178.30000109L349 N358L349-V356 HydrophobicContact CD1-CG2 3.89Å; V356-N358 PolarHBondContact O-N 3.37Å
357S87.6Confident80.9Confident81 Ų81118.1 Ų118.157%0.56665%0.651SS**  trans-75.8118.6170.855.50000109.7S355 L359S355-S357 PolarHBondContact O-N 3.38Å; S357-L359 PolarHBondContact O-N 3.4Å; S357-L359 WeakPolarHBondContact OG-CD1 3.2Å
358N75.9Confident80Confident120 Ų120116.3 Ų116.364%0.64265%0.65SS**  trans-73.770.5170.8-77.7-43.8000109.9V356 N360V356-N358 PolarHBondContact O-N 3.37Å; N358-N360 PolarHBondContact O-N 3.19Å; N358-N360 VanDerWaalsContact O-N 3.16Å
359L60.8Low79Confident138 Ų138119.6 Ų119.672%0.72367%0.67SS**THydrogen-bonded Turntrans-72.42.5178.8-82.9160.4000114S357S357-L359 PolarHBondContact O-N 3.4Å; S357-L359 WeakPolarHBondContact OG-CD1 3.2Å
360N53.7Low77.8Confident166 Ų166127.2 Ų127.289%0.88871%0.714SS**THydrogen-bonded Turntrans-117.227.6177.7-72.5-25.8000113.8N358N358-N360 PolarHBondContact O-N 3.19Å; N358-N360 VanDerWaalsContact O-N 3.16Å
361K41.5Very low76.4Confident175 Ų175131.5 Ų131.576%0.76173%0.729SS**  trans-116.866.4165.1-75.5-174.11791760110.2
362S33.7Very low74.6Confident184 Ų184131.5 Ų131.5100%1.28774%0.739SS**  trans-156.60162.859.30000110.2

Retrieved 362 of 362 residues in 80.7 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).