A0A096NB61_PAPAN Loading...

Heteroous nuclear ribonucleoprotein H1

AlphaFold DB (F7G3R3), UniProt , Accession A0A096NB61, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 452 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.4Very low44.5Very low239 Ų239127.3 Ų127.3100%1.17775%0.749SS**  0116.40-69.2173.4-170.800106.9
2M40Very low47.2Very low196 Ų196116.8 Ų116.897%0.96669%0.688SS**  trans-73.2127.4172.2-71.5176.7170.400108.5
3L40.6Very low50Low172 Ų172107.9 Ų107.990%0.90164%0.635SS**  trans-136.4122.7161.4-63.7171.4000103.6
4G33.9Very low52.4Low73 Ų73103.1 Ų103.175%0.75360%0.603SS**  cis171113.53.300000101.7E6G4-E6 PolarHBondContact O-N 3.48Å
5T44.1Very low54.5Low147 Ų14796.3 Ų96.390%0.90256%0.562SS**  trans-74.5103174.540.80000108.5
6E39.7Very low56.3Low185 Ų18597.9 Ų97.986%0.86456%0.556SS**  trans-127.6107.5158-68.3-165.2143.800107.9G4 G8G4-E6 PolarHBondContact O-N 3.48Å; E6-G8 PolarHBondContact O-N 3.12Å
7G39.4Very low57.4Low92 Ų9292.5 Ų92.595%0.94853%0.527SS*.  trans-71.359.9165.700000110.3
8G38.8Very low58.7Low50 Ų5087.4 Ų87.452%0.51550%0.498SS..  trans-75.8137.6165.100000108.3E6 G10E6-G8 PolarHBondContact O-N 3.12Å; G8-G10 PolarHBondContact O-N 3.29Å
9E49.4Very low59.6Low161 Ų16183.7 Ų83.775%0.75248%0.478SS*.  trans-58.783.8165.4-67.1179.5130.300108.2F11E9-F11 PolarHBondContact O-N 3.32Å; E9-F11 VanDerWaalsContact O-N 3.12Å
10G57Low60.3Low15 Ų1588 Ų8816%0.15549%0.486CS..  trans-61.3120.617600000107.3G8 V12G8-G10 PolarHBondContact O-N 3.29Å; G10-V12 PolarHBondContact O-N 3.49Å
11F72.3Confident60.9Low70 Ų7088.6 Ų88.631%0.30750%0.496SS..EExtended strand (participates in β ladder)trans-71.780.7-179.1-65-66.2000108.9E9 L61 E64 V67E9-F11 PolarHBondContact O-N 3.32Å; E9-F11 VanDerWaalsContact O-N 3.12Å; F11-L61 HydrophobicContact CB-CB 4.42Å; F11-L61 WeakPolarHBondContact O-CA 3.38Å; F11-L61 WeakPolarHBondContact O-CB 3.48Å; F11-L61 PolarHBondContact O-N 2.75Å; F11-E64 HydrophobicContact CD1-CB 3.72Å; F11-E64 HydrophobicContact CD1-CG 3.89Å; F11-E64 HydrophobicContact CE1-CB 3.36Å; F11-E64 HydrophobicContact CE1-CG 3.56Å; F11-E64 HydrophobicContact CE2-CB 4.49Å; F11-E64 HydrophobicContact CG-CB 4.44Å; F11-E64 HydrophobicContact CZ-CB 3.8Å; F11-E64 HydrophobicContact CZ-CG 4.41Å; F11-V67 HydrophobicContact CB-CG2 3.63Å; F11-V67 HydrophobicContact CD1-CG2 4.33Å; F11-V67 HydrophobicContact CG-CG2 4.35Å
12V76.9Confident62.7Low2 Ų278 Ų781%0.01245%0.445CS..EExtended strand (participates in β ladder)trans-99.4144.9-177.5-179.30000110.1G10 F58 V59 E60 S88 N90 M93G10-V12 PolarHBondContact O-N 3.49Å; V12-F58 HydrophobicContact CG1-CB 4.06Å; V12-F58 HydrophobicContact CG1-CD1 3.98Å; V12-F58 HydrophobicContact CG1-CG 4.46Å; V12-V59 CarbonylContact C-O 3.5Å; V12-V59 WeakPolarHBondContact CA-O 3.33Å; V12-E60 HydrophobicContact CG2-CG 4.35Å; V12-S88 CarbonylContact C-O 3.52Å; V12-S88 CarbonylContact O-C 3.57Å; V12-S88 PolarHBondContact O-N 2.89Å; V12-N90 HydrophobicContact CG2-CB 4.11Å; V12-M93 HydrophobicContact CG1-CB 4.07Å; V12-M93 HydrophobicContact CG1-CE 3.75Å; V12-M93 HydrophobicContact CG1-CG 4.12Å; V12-M93 HydrophobicContact CG1-SD 4.19Å; V12-M93 HydrophobicContact CG2-CE 4.26Å; V12-M93 HydrophobicContact CG2-SD 4.18Å
13V83.4Confident64.6Low1 Ų170.8 Ų70.81%0.00641%0.414CS..EExtended strand (participates in β ladder)trans-123.5125.6176.5176.90000108.4V15 F58 V59 L61 V67 A70 V85 F86V13-V15 HydrophobicContact CG1-CG2 4.17Å; V13-F58 CarbonylContact O-C 3.56Å; V13-F58 WeakPolarHBondContact O-CA 3.46Å; V13-V59 PolarHBondContact N-O 3.17Å; V13-V59 PolarHBondContact O-N 3.1Å; V13-L61 HydrophobicContact CB-CD1 4.38Å; V13-L61 HydrophobicContact CG2-CD1 3.48Å; V13-L61 VanDerWaalsContact CG2-CD1 3.48Å; V13-L61 HydrophobicContact CG2-CG 4.24Å; V13-V67 HydrophobicContact CG2-CB 4.25Å; V13-V67 HydrophobicContact CG2-CG1 3.89Å; V13-V67 HydrophobicContact CG2-CG2 3.97Å; V13-A70 HydrophobicContact CG2-CB 4.46Å; V13-V85 HydrophobicContact CG1-CB 4.43Å; V13-V85 HydrophobicContact CG1-CG1 3.08Å; V13-F86 CarbonylContact C-O 3.59Å; V13-F86 WeakPolarHBondContact CA-O 3.35Å; V13-F86 WeakPolarHBondContact CG1-O 3.27Å
14K83.5Confident66.3Low41 Ų4163.7 Ų63.718%0.17838%0.38CS..EExtended strand (participates in β ladder)trans-87.3119.3170.5-178.7175.3179.6170.80109.1E56 F58 F86 S88K14-E56 WeakPolarHBondContact CE-OE2 3.46Å; K14-E56 IonicContact NZ-OE2 3.57Å; K14-E56 PolarHBondContact NZ-OE2 3.43Å; K14-F58 HydrophobicContact CB-CD1 3.77Å; K14-F58 HydrophobicContact CB-CE1 3.66Å; K14-F58 HydrophobicContact CD-CE1 3.86Å; K14-F58 HydrophobicContact CD-CZ 4.1Å; K14-F58 HydrophobicContact CG-CD1 4.1Å; K14-F58 HydrophobicContact CG-CE1 3.78Å; K14-F58 HydrophobicContact CG-CZ 4.33Å; K14-F86 HydrophobicContact CB-CB 4.29Å; K14-F86 PolarHBondContact N-O 3.25Å; K14-F86 PolarHBondContact O-N 3.04Å; K14-S88 WeakPolarHBondContact CB-OG 3.19Å
15V84.8Confident68.5Low0 Ų064.9 Ų64.90%037%0.369CS..EExtended strand (participates in β ladder)trans-104.8131.6177.5-171.20000108.6V13 L18 F31 E56 A57 V59 V83 E84V13-V15 HydrophobicContact CG1-CG2 4.17Å; V15-L18 HydrophobicContact CB-CD1 4.48Å; V15-L18 HydrophobicContact CG1-CD1 4.19Å; V15-L18 HydrophobicContact CG1-CD2 3.8Å; V15-L18 HydrophobicContact CG1-CG 3.97Å; V15-F31 HydrophobicContact CG1-CE2 4.39Å; V15-F31 HydrophobicContact CG1-CZ 4.38Å; V15-F31 HydrophobicContact CG2-CE2 3.73Å; V15-F31 HydrophobicContact CG2-CZ 3.61Å; V15-E56 CarbonylContact O-C 3.47Å; V15-E56 VanDerWaalsContact O-CA 3.27Å; V15-E56 WeakPolarHBondContact O-CA 3.24Å; V15-A57 PolarHBondContact N-O 3.46Å; V15-A57 PolarHBondContact O-N 3.16Å; V15-A57 VanDerWaalsContact O-O 3.09Å; V15-V59 HydrophobicContact CG2-CG2 3.77Å; V15-V83 HydrophobicContact CG1-CG1 3.26Å; V15-E84 CarbonylContact C-O 3.56Å; V15-E84 WeakPolarHBondContact CA-O 3.12Å
16R81.9Confident70.2Confident123 Ų12361.8 Ų61.846%0.46435%0.345SS..EExtended strand (participates in β ladder)trans-129.4154.7179.9-178.6171-155-143-1.8110.1G55 E56 V83 E84 F86R16-G55 CarbonylContact C-O 3.54Å; R16-G55 WeakPolarHBondContact CA-O 3.37Å; R16-E56 HydrophobicContact CB-CG 4.27Å; R16-E56 HydrophobicContact CG-CG 3.91Å; R16-E56 IonicContact CZ-OE1 3.69Å; R16-E56 IonicContact NE-OE1 3.66Å; R16-E56 PolarHBondContact NE-OE1 3.4Å; R16-E56 IonicContact NH2-OE1 2.63Å; R16-V83 CarbonylContact O-C 3.55Å; R16-V83 WeakPolarHBondContact O-CA 3.5Å; R16-E84 HydrophobicContact CB-CB 4.33Å; R16-E84 PolarHBondContact N-O 2.93Å; R16-E84 PolarHBondContact O-N 3.19Å; R16-F86 HydrophobicContact CB-CE2 4.33Å
17G75.7Confident72.1Confident5 Ų553 Ų535%0.05230%0.303CS..  trans87.210.4178.900000113.6G55 R81G17-G55 PolarHBondContact N-O 3.29Å; G17-R81 VanDerWaalsContact O-CB 3.3Å; G17-R81 WeakPolarHBondContact O-CB 3.34Å; G17-R81 PolarHBondContact O-NE 2.95Å
18L80.4Confident73.9Confident1 Ų152.2 Ų52.21%0.00528%0.275CS..  trans-61.5136.1173.7-62.3175.9000110.1V15 C22 V27 F45 G55 A57 M78 R81 V83V15-L18 HydrophobicContact CB-CD1 4.48Å; V15-L18 HydrophobicContact CG1-CD1 4.19Å; V15-L18 HydrophobicContact CG1-CD2 3.8Å; V15-L18 HydrophobicContact CG1-CG 3.97Å; L18-C22 HydrophobicContact CB-CB 4.19Å; L18-V27 HydrophobicContact CD1-CG2 3.9Å; L18-V27 HydrophobicContact CD2-CG2 4.05Å; L18-F45 HydrophobicContact CD1-CD1 4.46Å; L18-F45 HydrophobicContact CD1-CE1 3.98Å; L18-G55 PolarHBondContact N-O 3.28Å; L18-G55 VanDerWaalsContact O-CA 3.24Å; L18-G55 WeakPolarHBondContact O-CA 3.41Å; L18-A57 HydrophobicContact CD1-CB 3.48Å; L18-A57 VanDerWaalsContact CD1-CB 3.48Å; L18-M78 HydrophobicContact CD2-CE 3.18Å; L18-R81 PolarHBondContact O-NH1 3.37Å; L18-V83 HydrophobicContact CD2-CG1 4.14Å; L18-V83 HydrophobicContact CD2-CG2 4.25Å
19P76.6Confident75.7Confident18 Ų1859.2 Ų59.212%0.11729%0.286CS..  trans-58.3148.8172.116.9-22.2000110.9S21 C22 M78P19-S21 PolarHBondContact O-N 2.87Å; P19-S21 VanDerWaalsContact O-N 3.15Å; P19-C22 HydrophobicContact CG-CB 3.93Å; P19-C22 WeakPolarHBondContact O-CB 3.37Å; P19-C22 PolarHBondContact O-N 3.48Å; P19-M78 HydrophobicContact CG-CB 4.43Å
20W73.4Confident77Confident169 Ų16952.3 Ų52.364%0.6425%0.254SS*.THydrogen-bonded Turntrans-66-17.9-176.8-61.7-43.1000113.6P53W20-P53 HydrophobicContact CB-CG 4.03Å; W20-P53 WeakPolarHBondContact O-CG 3.47Å
21S73.4Confident77.7Confident101 Ų10151.7 Ų51.771%0.70625%0.247SC*.THydrogen-bonded Turntrans-90.13.1173.257.80000113.5P19 S23P19-S21 PolarHBondContact O-N 2.87Å; P19-S21 VanDerWaalsContact O-N 3.15Å; S21-S23 PolarHBondContact O-N 3.42Å
22C71.9Confident77.7Confident16 Ų1652.5 Ų52.511%0.10826%0.261CS..  trans-70.8126.2-172.7-161.40000111.2L18 P19 E26L18-C22 HydrophobicContact CB-CB 4.19Å; P19-C22 HydrophobicContact CG-CB 3.93Å; P19-C22 WeakPolarHBondContact O-CB 3.37Å; P19-C22 PolarHBondContact O-N 3.48Å; C22-E26 WeakPolarHBondContact CA-OE2 3.47Å
23S78.8Confident77.3Confident45 Ų4557 Ų5732%0.31529%0.285SS..  trans-94.5163.3176.669.50000112S21 D25 E26 V27S21-S23 PolarHBondContact O-N 3.42Å; S23-D25 PolarHBondContact O-N 3.2Å; S23-E26 PolarHBondContact O-N 3.14Å; S23-E26 VanDerWaalsContact O-N 3.16Å; S23-E26 PolarHBondContact OG-N 3.07Å; S23-V27 PolarHBondContact O-N 3.27Å; S23-V27 VanDerWaalsContact O-N 3.14Å
24A77.7Confident76.7Confident22 Ų2257.4 Ų57.418%0.18229%0.288CS..Hα-helixtrans-56-38.3174.200000111.5E26 V27 Q28 A40 I43 F45A24-E26 PolarHBondContact O-N 3.05Å; A24-V27 PolarHBondContact O-N 3.09Å; A24-Q28 WeakPolarHBondContact O-CB 3.21Å; A24-Q28 PolarHBondContact O-N 2.86Å; A24-A40 HydrophobicContact CB-CB 4.25Å; A24-I43 HydrophobicContact CB-CD1 4.41Å; A24-I43 WeakPolarHBondContact O-CD1 3.35Å; A24-F45 HydrophobicContact CB-CE2 3.9Å; A24-F45 HydrophobicContact CB-CZ 4.48Å
25D79.7Confident76.1Confident98 Ų9862.2 Ų62.252%0.52431%0.309SS..Hα-helixtrans-65.6-36.7178.8-55.8-86000112.8S23 Q28 R29S23-D25 PolarHBondContact O-N 3.2Å; D25-Q28 PolarHBondContact O-N 3.09Å; D25-R29 WeakPolarHBondContact O-CG 2.99Å; D25-R29 PolarHBondContact O-N 3.16Å
26E80.3Confident75.6Confident82 Ų8263.2 Ų63.238%0.38331%0.314SS..Hα-helixtrans-69.1-41.9175.9-74.3-178.8170.800111.6C22 S23 A24 Q28 R29 F30C22-E26 WeakPolarHBondContact CA-OE2 3.47Å; S23-E26 PolarHBondContact O-N 3.14Å; S23-E26 VanDerWaalsContact O-N 3.16Å; S23-E26 PolarHBondContact OG-N 3.07Å; A24-E26 PolarHBondContact O-N 3.05Å; E26-Q28 VanDerWaalsContact C-N 3.3Å; E26-Q28 PolarHBondContact O-N 3.45Å; E26-R29 PolarHBondContact O-N 2.97Å; E26-F30 WeakPolarHBondContact O-CB 3.06Å; E26-F30 PolarHBondContact O-N 3.24Å
27V78.3Confident74.7Confident0 Ų060.7 Ų60.70%031%0.307CS..Hα-helixtrans-61.5-42.1172.9177.10000109.9L18 S23 A24 R29 F30 F31 I43 F45 V59L18-V27 HydrophobicContact CD1-CG2 3.9Å; L18-V27 HydrophobicContact CD2-CG2 4.05Å; S23-V27 PolarHBondContact O-N 3.27Å; S23-V27 VanDerWaalsContact O-N 3.14Å; A24-V27 PolarHBondContact O-N 3.09Å; V27-R29 VanDerWaalsContact C-N 3.33Å; V27-R29 PolarHBondContact O-N 2.94Å; V27-F30 WeakPolarHBondContact O-CB 3.19Å; V27-F30 PolarHBondContact O-N 2.91Å; V27-F31 HydrophobicContact CG1-CD2 3.69Å; V27-F31 HydrophobicContact CG1-CE2 3.82Å; V27-F31 WeakPolarHBondContact O-CD2 3.44Å; V27-F31 PolarHBondContact O-N 3.41Å; V27-I43 HydrophobicContact CB-CD1 4.03Å; V27-I43 HydrophobicContact CB-CG2 4.32Å; V27-I43 HydrophobicContact CG1-CD1 3.92Å; V27-I43 HydrophobicContact CG1-CG1 4.33Å; V27-I43 HydrophobicContact CG1-CG2 4.03Å; V27-F45 HydrophobicContact CG2-CE1 4.1Å; V27-F45 HydrophobicContact CG2-CZ 3.89Å; V27-V59 HydrophobicContact CG1-CG2 3.99Å
28Q77.9Confident74.1Confident77 Ų7765.8 Ų65.836%0.3633%0.333SS..Hα-helixtrans-63.5-36.5176-173.1175.2-4.600112.7A24 D25 E26 F31 S32 I36 I43A24-Q28 WeakPolarHBondContact O-CB 3.21Å; A24-Q28 PolarHBondContact O-N 2.86Å; D25-Q28 PolarHBondContact O-N 3.09Å; E26-Q28 VanDerWaalsContact C-N 3.3Å; E26-Q28 PolarHBondContact O-N 3.45Å; Q28-F31 CarbonylContact O-C 3.2Å; Q28-F31 PolarHBondContact O-N 3.3Å; Q28-S32 PolarHBondContact O-N 2.88Å; Q28-S32 VanDerWaalsContact O-N 3.07Å; Q28-I36 HydrophobicContact CB-CD1 4.49Å; Q28-I36 HydrophobicContact CG-CD1 4.35Å; Q28-I43 HydrophobicContact CB-CD1 4.04Å
29R76.9Confident73.7Confident196 Ų19666.5 Ų66.574%0.7434%0.341SS*.Hα-helixtrans-68.7-39173.9-75.4176-178.3-177.51.7112.5D25 E26 V27 F31 S32D25-R29 WeakPolarHBondContact O-CG 2.99Å; D25-R29 PolarHBondContact O-N 3.16Å; E26-R29 PolarHBondContact O-N 2.97Å; V27-R29 VanDerWaalsContact C-N 3.33Å; V27-R29 PolarHBondContact O-N 2.94Å; R29-F31 VanDerWaalsContact C-N 3.27Å; R29-F31 PolarHBondContact O-N 3.41Å; R29-S32 VanDerWaalsContact O-CB 3.27Å; R29-S32 WeakPolarHBondContact O-CB 3.48Å; R29-S32 PolarHBondContact O-N 3.22Å; R29-S32 VanDerWaalsContact O-N 3.12Å; R29-S32 PolarHBondContact O-OG 3.47Å
30F75.6Confident72.9Confident17 Ų1767.7 Ų67.78%0.07535%0.352CS..Hα-helixtrans-63-39.1175.9-178.3-95.3000111.3E26 V27 S32 K73 E76 M78 V83E26-F30 WeakPolarHBondContact O-CB 3.06Å; E26-F30 PolarHBondContact O-N 3.24Å; V27-F30 WeakPolarHBondContact O-CB 3.19Å; V27-F30 PolarHBondContact O-N 2.91Å; F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 3.25Å; F30-K73 PolarHBondContact O-NZ 3.11Å; F30-E76 HydrophobicContact CE2-CB 3.73Å; F30-E76 HydrophobicContact CE2-CG 3.71Å; F30-E76 HydrophobicContact CZ-CB 3.71Å; F30-E76 HydrophobicContact CZ-CG 4.21Å; F30-M78 HydrophobicContact CB-CE 3.99Å; F30-M78 HydrophobicContact CB-SD 3.95Å; F30-M78 HydrophobicContact CD1-CE 4.26Å; F30-M78 HydrophobicContact CD2-CE 3.96Å; F30-M78 HydrophobicContact CD2-CG 3.53Å; F30-M78 HydrophobicContact CD2-SD 3.81Å; F30-M78 HydrophobicContact CE2-CE 4.46Å; F30-M78 HydrophobicContact CE2-CG 3.81Å; F30-M78 HydrophobicContact CG-CE 3.81Å; F30-M78 HydrophobicContact CG-CG 4.32Å; F30-M78 HydrophobicContact CG-SD 4.03Å; F30-V83 HydrophobicContact CE1-CB 4.37Å; F30-V83 HydrophobicContact CE1-CG1 4.02Å; F30-V83 HydrophobicContact CE2-CB 4.49Å; F30-V83 HydrophobicContact CE2-CG2 4.37Å; F30-V83 HydrophobicContact CZ-CB 3.88Å; F30-V83 HydrophobicContact CZ-CG1 4.05Å; F30-V83 HydrophobicContact CZ-CG2 4.22Å
31F73.1Confident72.4Confident2 Ų266.8 Ų66.81%0.00936%0.355CS..THydrogen-bonded Turntrans-92.229.6172.4-68-69000112.8V15 V27 Q28 R29 D33 C34 I36 V59 A70 V85V15-F31 HydrophobicContact CG1-CE2 4.39Å; V15-F31 HydrophobicContact CG1-CZ 4.38Å; V15-F31 HydrophobicContact CG2-CE2 3.73Å; V15-F31 HydrophobicContact CG2-CZ 3.61Å; V27-F31 HydrophobicContact CG1-CD2 3.69Å; V27-F31 HydrophobicContact CG1-CE2 3.82Å; V27-F31 WeakPolarHBondContact O-CD2 3.44Å; V27-F31 PolarHBondContact O-N 3.41Å; Q28-F31 CarbonylContact O-C 3.2Å; Q28-F31 PolarHBondContact O-N 3.3Å; R29-F31 VanDerWaalsContact C-N 3.27Å; R29-F31 PolarHBondContact O-N 3.41Å; F31-D33 PolarHBondContact O-N 3.47Å; F31-D33 VanDerWaalsContact O-N 3.09Å; F31-C34 HydrophobicContact CB-CB 4.19Å; F31-C34 HydrophobicContact CD1-CB 4.37Å; F31-C34 WeakPolarHBondContact O-CA 3.36Å; F31-C34 PolarHBondContact O-N 2.64Å; F31-I36 HydrophobicContact CB-CD1 3.9Å; F31-I36 HydrophobicContact CB-CG1 4.38Å; F31-V59 HydrophobicContact CD2-CG2 4.48Å; F31-V59 HydrophobicContact CE2-CG2 4.22Å; F31-A70 HydrophobicContact CD1-CB 4.17Å; F31-A70 HydrophobicContact CE1-CB 3.78Å; F31-V85 HydrophobicContact CE1-CG1 4.43Å; F31-V85 HydrophobicContact CE1-CG2 4.37Å; F31-V85 HydrophobicContact CZ-CG1 4.42Å; F31-V85 HydrophobicContact CZ-CG2 4.04Å
32S71.4Confident72.2Confident86 Ų8662 Ų6260%0.60132%0.322SS*.THydrogen-bonded Turntrans-57-27.7176.659.60000113.2Q28 R29 F30Q28-S32 PolarHBondContact O-N 2.88Å; Q28-S32 VanDerWaalsContact O-N 3.07Å; R29-S32 VanDerWaalsContact O-CB 3.27Å; R29-S32 WeakPolarHBondContact O-CB 3.48Å; R29-S32 PolarHBondContact O-N 3.22Å; R29-S32 VanDerWaalsContact O-N 3.12Å; R29-S32 PolarHBondContact O-OG 3.47Å; F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 3.25Å
33D69.6Low72.5Confident97 Ų9761.8 Ų61.852%0.51932%0.319SS..THydrogen-bonded Turntrans-84.6-4-179.9-56.2-18.6000112F31 K73F31-D33 PolarHBondContact O-N 3.47Å; F31-D33 VanDerWaalsContact O-N 3.09Å; D33-K73 WeakPolarHBondContact OD2-CE 3.17Å; D33-K73 IonicContact OD2-NZ 2.64Å; D33-K73 PolarHBondContact OD2-NZ 3.15Å
34C69.3Low72.4Confident10 Ų1065.5 Ų65.57%0.06833%0.326CS..SBendtrans-116.6133-180-60.20000112.1F31 I36 L61 E66F31-C34 HydrophobicContact CB-CB 4.19Å; F31-C34 HydrophobicContact CD1-CB 4.37Å; F31-C34 WeakPolarHBondContact O-CA 3.36Å; F31-C34 PolarHBondContact O-N 2.64Å; C34-I36 PolarHBondContact O-N 2.97Å; C34-I36 VanDerWaalsContact O-N 3.14Å; C34-L61 HydrophobicContact CB-CD2 4.17Å; C34-E66 WeakPolarHBondContact CA-OE2 3.17Å; C34-E66 HydrophobicContact CB-CB 4.43Å
35K72.4Confident72.4Confident141 Ų14166.2 Ų66.261%0.61333%0.326SS*.  trans-79.398.5172.2-69.5-178.8-178.2176.10111.3E62 E66K35-E62 PolarHBondContact O-N 2.78Å; K35-E66 HydrophobicContact CB-CG 4.23Å; K35-E66 PolarHBondContact N-OE2 3.14Å
36I73.3Confident72.2Confident21 Ų2162.1 Ų62.111%0.10830%0.304CS..BIsolated β-bridgetrans-78130.2174.8-54.1176000109.8Q28 F31 C34 N38 G39 I43 V59 E60 L61Q28-I36 HydrophobicContact CB-CD1 4.49Å; Q28-I36 HydrophobicContact CG-CD1 4.35Å; F31-I36 HydrophobicContact CB-CD1 3.9Å; F31-I36 HydrophobicContact CB-CG1 4.38Å; C34-I36 PolarHBondContact O-N 2.97Å; C34-I36 VanDerWaalsContact O-N 3.14Å; I36-N38 PolarHBondContact O-N 3.25Å; I36-G39 WeakPolarHBondContact CG2-O 3.38Å; I36-G39 PolarHBondContact O-N 2.93Å; I36-I43 HydrophobicContact CD1-CD1 4.06Å; I36-I43 HydrophobicContact CD1-CG1 4.28Å; I36-I43 HydrophobicContact CG2-CG1 4.41Å; I36-V59 HydrophobicContact CB-CG1 4.45Å; I36-V59 HydrophobicContact CD1-CG1 3.83Å; I36-V59 HydrophobicContact CG1-CG1 3.85Å; I36-V59 HydrophobicContact CG2-CG1 3.81Å; I36-E60 WeakPolarHBondContact CG2-O 3.15Å; I36-L61 HydrophobicContact CB-CD2 4.39Å; I36-L61 HydrophobicContact CG1-CD2 3.85Å
37Q64Low71.6Confident71 Ų7162.8 Ų62.833%0.33230%0.303SS..THydrogen-bonded Turntrans-66.1121.9174.3-168.3176.6-3600109.3G39 G42 E60Q37-G39 PolarHBondContact O-N 3.21Å; Q37-G42 WeakPolarHBondContact O-CA 3.37Å; Q37-G42 PolarHBondContact O-N 3.38Å; Q37-E60 HydrophobicContact CB-CB 4.45Å; Q37-E60 HydrophobicContact CB-CG 4.11Å; Q37-E60 PolarHBondContact N-O 3.43Å; Q37-E60 PolarHBondContact NE2-OE1 2.83Å; Q37-E60 VanDerWaalsContact NE2-OE1 3.13Å
38N63.3Low70.6Confident112 Ų11265 Ų6560%0.59932%0.317SS*.THydrogen-bonded Turntrans6019.4-175-60-45.7000116.3I36 A40 Q41I36-N38 PolarHBondContact O-N 3.25Å; N38-A40 PolarHBondContact O-N 3.4Å; N38-Q41 HydrophobicContact CB-CB 3.91Å; N38-Q41 PolarHBondContact O-N 3.13Å
39G70.1Confident69.3Low15 Ų1566.5 Ų66.516%0.15532%0.319CS..G310 helixtrans54.2-120.5173.700000113I36 Q37 Q41 G42I36-G39 WeakPolarHBondContact CG2-O 3.38Å; I36-G39 PolarHBondContact O-N 2.93Å; Q37-G39 PolarHBondContact O-N 3.21Å; G39-Q41 PolarHBondContact O-N 2.83Å; G39-Q41 VanDerWaalsContact O-N 3.16Å; G39-G42 PolarHBondContact O-N 3.27Å; G39-G42 VanDerWaalsContact O-N 3.09Å
40A60.5Low68.1Low44 Ų4462.9 Ų62.936%0.36431%0.31SS..G310 helixtrans-59.1-24.4177.700000114.3A24 N38A24-A40 HydrophobicContact CB-CB 4.25Å; N38-A40 PolarHBondContact O-N 3.4Å
41Q62.2Low67.1Low150 Ų15064.5 Ų64.570%0.70133%0.332SS*.G310 helixtrans-82-19.4177.9-58.5-174.65.100113.3N38 G39 I43N38-Q41 HydrophobicContact CB-CB 3.91Å; N38-Q41 PolarHBondContact O-N 3.13Å; G39-Q41 PolarHBondContact O-N 2.83Å; G39-Q41 VanDerWaalsContact O-N 3.16Å; Q41-I43 VanDerWaalsContact C-N 3.26Å
42G69.8Low66.8Low0 Ų071.9 Ų71.90%036%0.36CS..SBendtrans-78-11.3171.900000113.3Q37 G39 V59 E60Q37-G42 WeakPolarHBondContact O-CA 3.37Å; Q37-G42 PolarHBondContact O-N 3.38Å; G39-G42 PolarHBondContact O-N 3.27Å; G39-G42 VanDerWaalsContact O-N 3.09Å; G42-V59 WeakPolarHBondContact O-CA 3.47Å; G42-E60 PolarHBondContact O-N 3.25Å
43I78.6Confident66.6Low12 Ų1269.6 Ų69.66%0.06234%0.343CS..EExtended strand (participates in β ladder)trans-95.4111.2-179.5-55.7167.9000108.9A24 V27 Q28 I36 Q41 F45 F58 V59A24-I43 HydrophobicContact CB-CD1 4.41Å; A24-I43 WeakPolarHBondContact O-CD1 3.35Å; V27-I43 HydrophobicContact CB-CD1 4.03Å; V27-I43 HydrophobicContact CB-CG2 4.32Å; V27-I43 HydrophobicContact CG1-CD1 3.92Å; V27-I43 HydrophobicContact CG1-CG1 4.33Å; V27-I43 HydrophobicContact CG1-CG2 4.03Å; Q28-I43 HydrophobicContact CB-CD1 4.04Å; I36-I43 HydrophobicContact CD1-CD1 4.06Å; I36-I43 HydrophobicContact CD1-CG1 4.28Å; I36-I43 HydrophobicContact CG2-CG1 4.41Å; Q41-I43 VanDerWaalsContact C-N 3.26Å; I43-F45 HydrophobicContact CG2-CD2 4.28Å; I43-F45 HydrophobicContact CG2-CE2 3.72Å; I43-F45 HydrophobicContact CG2-CZ 3.93Å; I43-F58 CarbonylContact C-O 3.55Å; I43-F58 WeakPolarHBondContact CA-O 3.48Å; I43-V59 HydrophobicContact CG1-CG1 4.33Å; I43-V59 HydrophobicContact CG1-CG2 4.33Å; I43-V59 HydrophobicContact CG2-CG2 4.45Å
44R76Confident66.4Low123 Ų12367 Ų6746%0.46433%0.332SS..EExtended strand (participates in β ladder)trans-113.4104.6179.7-61.8-167.1180-90.63.8110.6A57 F58 M93 L97R44-A57 CarbonylContact O-C 3.6Å; R44-A57 WeakPolarHBondContact O-CA 3.39Å; R44-F58 PolarHBondContact N-O 2.83Å; R44-F58 PolarHBondContact O-N 3.34Å; R44-M93 HydrophobicContact CB-CE 4.36Å; R44-M93 HydrophobicContact CG-CE 4.22Å; R44-L97 HydrophobicContact CB-CD1 4.17Å; R44-L97 HydrophobicContact CB-CD2 4.05Å; R44-L97 HydrophobicContact CG-CD1 4.34Å
45F79.2Confident66.6Low37 Ų3766.7 Ų66.716%0.16233%0.331CS..EExtended strand (participates in β ladder)trans-69.9138.5175.6-68.5-84.9000111.8L18 A24 V27 I43 Y47 A57L18-F45 HydrophobicContact CD1-CD1 4.46Å; L18-F45 HydrophobicContact CD1-CE1 3.98Å; A24-F45 HydrophobicContact CB-CE2 3.9Å; A24-F45 HydrophobicContact CB-CZ 4.48Å; V27-F45 HydrophobicContact CG2-CE1 4.1Å; V27-F45 HydrophobicContact CG2-CZ 3.89Å; I43-F45 HydrophobicContact CG2-CD2 4.28Å; I43-F45 HydrophobicContact CG2-CE2 3.72Å; I43-F45 HydrophobicContact CG2-CZ 3.93Å; F45-Y47 HydrophobicContact CB-CD2 4.39Å; F45-Y47 HydrophobicContact CB-CE2 3.67Å; F45-A57 HydrophobicContact CD1-CB 3.79Å; F45-A57 HydrophobicContact CE1-CB 4.09Å; F45-A57 HydrophobicContact CG-CB 4.34Å
46I75.3Confident67.1Low12 Ų1261.4 Ų61.46%0.06231%0.309CS..EExtended strand (participates in β ladder)trans-91.7116.4170.1-46.7176.2000107.4S54 E56 F58 V96 T100I46-S54 WeakPolarHBondContact O-CB 3.38Å; I46-S54 PolarHBondContact O-N 3.49Å; I46-S54 VanDerWaalsContact O-N 3.09Å; I46-E56 HydrophobicContact CB-CB 4.05Å; I46-E56 WeakPolarHBondContact CB-O 3.4Å; I46-E56 HydrophobicContact CD1-CB 3.62Å; I46-E56 HydrophobicContact CG1-CB 4.13Å; I46-E56 PolarHBondContact N-O 2.88Å; I46-F58 HydrophobicContact CD1-CD2 3.66Å; I46-F58 HydrophobicContact CD1-CE2 3.15Å; I46-F58 HydrophobicContact CD1-CZ 3.82Å; I46-F58 HydrophobicContact CG1-CD2 3.7Å; I46-F58 HydrophobicContact CG1-CE2 3.6Å; I46-V96 HydrophobicContact CD1-CG1 4.01Å; I46-V96 HydrophobicContact CG1-CG1 4.48Å; I46-V96 HydrophobicContact CG2-CG1 4.33Å; I46-T100 HydrophobicContact CG2-CG2 4.24Å
47Y66.8Low67.5Low96 Ų9660.4 Ų60.438%0.37630%0.303SS..EExtended strand (participates in β ladder)trans-92.4143170-61.6-88.6000108.2F45 P53F45-Y47 HydrophobicContact CB-CD2 4.39Å; F45-Y47 HydrophobicContact CB-CE2 3.67Å; Y47-P53 HydrophobicContact CD1-CB 4.38Å; Y47-P53 HydrophobicContact CE1-CB 4.31Å
48T56.9Low68.5Low46 Ų4657 Ų5728%0.28229%0.288SS..PPolyproline II helixtrans-66.5161.5166.666.40000109.1E50 G51 R52T48-E50 PolarHBondContact O-N 3.31Å; T48-G51 PolarHBondContact O-N 3.15Å; T48-R52 PolarHBondContact N-O 2.85Å; T48-R52 PolarHBondContact OG1-O 2.83Å; T48-R52 VanDerWaalsContact OG1-O 3.11Å
49R50.4Low69.5Low109 Ų10951.7 Ų51.741%0.41126%0.259SS..THydrogen-bonded Turntrans-49.8-18.6176.1-167.9179.9-175.1-163.54.4114.6E190 H194R49-E190 IonicContact CZ-OE2 2.69Å; R49-E190 IonicContact NE-OE2 3.62Å; R49-E190 IonicContact NH2-OE2 2.82Å; R49-E190 PolarHBondContact NH2-OE2 3.37Å; R49-H194 PolarHBondContact NH1-NE2 3.03Å
50E52.1Low70Confident119 Ų11952.5 Ų52.556%0.55626%0.259SS*.THydrogen-bonded Turntrans-94.84.2178.9-59.4-176.4162.600113.3T48 R52 R116T48-E50 PolarHBondContact O-N 3.31Å; E50-R52 PolarHBondContact O-N 3Å; E50-R116 IonicContact OE1-CZ 2.93Å; E50-R116 IonicContact OE1-NH1 3.67Å; E50-R116 PolarHBondContact OE1-NH1 3.47Å; E50-R116 IonicContact OE1-NH2 2.8Å
51G55.8Low71Confident51 Ų5150.4 Ų50.453%0.52624%0.242SC..SBendtrans76.57.1-175.600000114.1T48T48-G51 PolarHBondContact O-N 3.15Å
52R65.1Low71.9Confident157 Ų15749.5 Ų49.559%0.59224%0.238SC*.  trans-83.1135.7175.3-176178.2-84.5-169.7-4.9109.4T48 E50 S54T48-R52 PolarHBondContact N-O 2.85Å; T48-R52 PolarHBondContact OG1-O 2.83Å; T48-R52 VanDerWaalsContact OG1-O 3.11Å; E50-R52 PolarHBondContact O-N 3Å; R52-S54 PolarHBondContact O-N 3.44Å
53P68.9Low72.4Confident38 Ų3851.4 Ų51.425%0.24725%0.251CS..EExtended strand (participates in β ladder)trans-61122.2175.223.3-32.8000109.7W20 Y47 G55W20-P53 HydrophobicContact CB-CG 4.03Å; W20-P53 WeakPolarHBondContact O-CG 3.47Å; Y47-P53 HydrophobicContact CD1-CB 4.38Å; Y47-P53 HydrophobicContact CE1-CB 4.31Å; P53-G55 PolarHBondContact O-N 3.41Å
54S65.1Low72.5Confident42 Ų4255.3 Ų55.329%0.29427%0.269SS..EExtended strand (participates in β ladder)trans-74.1-3.5-177.8-163.10000112.6I46 R52 E56I46-S54 WeakPolarHBondContact O-CB 3.38Å; I46-S54 PolarHBondContact O-N 3.49Å; I46-S54 VanDerWaalsContact O-N 3.09Å; R52-S54 PolarHBondContact O-N 3.44Å; S54-E56 PolarHBondContact O-N 3.17Å
55G72.4Confident72.7Confident5 Ų554.2 Ų54.25%0.05227%0.272CS..EExtended strand (participates in β ladder)trans65.920.3-168.400000112.3R16 G17 L18 P53R16-G55 CarbonylContact C-O 3.54Å; R16-G55 WeakPolarHBondContact CA-O 3.37Å; G17-G55 PolarHBondContact N-O 3.29Å; L18-G55 PolarHBondContact N-O 3.28Å; L18-G55 VanDerWaalsContact O-CA 3.24Å; L18-G55 WeakPolarHBondContact O-CA 3.41Å; P53-G55 PolarHBondContact O-N 3.41Å
56E82.8Confident72.8Confident29 Ų2953.9 Ų53.914%0.13627%0.271CS..EExtended strand (participates in β ladder)trans-117.2138.4174.3-63.1-174.7-169.600108.3K14 V15 R16 I46 S54K14-E56 WeakPolarHBondContact CE-OE2 3.46Å; K14-E56 IonicContact NZ-OE2 3.57Å; K14-E56 PolarHBondContact NZ-OE2 3.43Å; V15-E56 CarbonylContact O-C 3.47Å; V15-E56 VanDerWaalsContact O-CA 3.27Å; V15-E56 WeakPolarHBondContact O-CA 3.24Å; R16-E56 HydrophobicContact CB-CG 4.27Å; R16-E56 HydrophobicContact CG-CG 3.91Å; R16-E56 IonicContact CZ-OE1 3.69Å; R16-E56 IonicContact NE-OE1 3.66Å; R16-E56 PolarHBondContact NE-OE1 3.4Å; R16-E56 IonicContact NH2-OE1 2.63Å; I46-E56 HydrophobicContact CB-CB 4.05Å; I46-E56 WeakPolarHBondContact CB-O 3.4Å; I46-E56 HydrophobicContact CD1-CB 3.62Å; I46-E56 HydrophobicContact CG1-CB 4.13Å; I46-E56 PolarHBondContact N-O 2.88Å; S54-E56 PolarHBondContact O-N 3.17Å
57A82.8Confident73Confident0 Ų053.9 Ų53.90%027%0.271CS..EExtended strand (participates in β ladder)trans-142.9153.5174.900000109.4V15 L18 R44 F45V15-A57 PolarHBondContact N-O 3.46Å; V15-A57 PolarHBondContact O-N 3.16Å; V15-A57 VanDerWaalsContact O-O 3.09Å; L18-A57 HydrophobicContact CD1-CB 3.48Å; L18-A57 VanDerWaalsContact CD1-CB 3.48Å; R44-A57 CarbonylContact O-C 3.6Å; R44-A57 WeakPolarHBondContact O-CA 3.39Å; F45-A57 HydrophobicContact CD1-CB 3.79Å; F45-A57 HydrophobicContact CE1-CB 4.09Å; F45-A57 HydrophobicContact CG-CB 4.34Å
58F84.4Confident73.6Confident0 Ų053.8 Ų53.80%027%0.273CS..EExtended strand (participates in β ladder)trans-105.7141.7166.3-66.2-82.6000109.3V12 V13 K14 I43 R44 I46 M93 V96V12-F58 HydrophobicContact CG1-CB 4.06Å; V12-F58 HydrophobicContact CG1-CD1 3.98Å; V12-F58 HydrophobicContact CG1-CG 4.46Å; V13-F58 CarbonylContact O-C 3.56Å; V13-F58 WeakPolarHBondContact O-CA 3.46Å; K14-F58 HydrophobicContact CB-CD1 3.77Å; K14-F58 HydrophobicContact CB-CE1 3.66Å; K14-F58 HydrophobicContact CD-CE1 3.86Å; K14-F58 HydrophobicContact CD-CZ 4.1Å; K14-F58 HydrophobicContact CG-CD1 4.1Å; K14-F58 HydrophobicContact CG-CE1 3.78Å; K14-F58 HydrophobicContact CG-CZ 4.33Å; I43-F58 CarbonylContact C-O 3.55Å; I43-F58 WeakPolarHBondContact CA-O 3.48Å; R44-F58 PolarHBondContact N-O 2.83Å; R44-F58 PolarHBondContact O-N 3.34Å; I46-F58 HydrophobicContact CD1-CD2 3.66Å; I46-F58 HydrophobicContact CD1-CE2 3.15Å; I46-F58 HydrophobicContact CD1-CZ 3.82Å; I46-F58 HydrophobicContact CG1-CD2 3.7Å; I46-F58 HydrophobicContact CG1-CE2 3.6Å; F58-M93 HydrophobicContact CB-CE 3.44Å; F58-M93 VanDerWaalsContact CB-CE 3.44Å; F58-M93 HydrophobicContact CB-CG 3.65Å; F58-M93 HydrophobicContact CB-SD 4.38Å; F58-M93 HydrophobicContact CD1-CB 4.22Å; F58-M93 HydrophobicContact CD1-CG 4.11Å; F58-M93 HydrophobicContact CD2-CG 3.98Å; F58-M93 HydrophobicContact CG-CB 4.28Å; F58-M93 HydrophobicContact CG-CE 4.5Å; F58-M93 HydrophobicContact CG-CG 3.68Å; F58-V96 HydrophobicContact CE2-CB 3.81Å; F58-V96 HydrophobicContact CE2-CG1 3.66Å; F58-V96 HydrophobicContact CE2-CG2 4.42Å; F58-V96 HydrophobicContact CZ-CB 3.94Å; F58-V96 HydrophobicContact CZ-CG1 4.05Å; F58-V96 HydrophobicContact CZ-CG2 4.05Å
59V83.9Confident74.8Confident1 Ų155.3 Ų55.31%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-124.6121.2178.8-177.10000107.5V12 V13 V15 V27 F31 I36 G42 I43 L61V12-V59 CarbonylContact C-O 3.5Å; V12-V59 WeakPolarHBondContact CA-O 3.33Å; V13-V59 PolarHBondContact N-O 3.17Å; V13-V59 PolarHBondContact O-N 3.1Å; V15-V59 HydrophobicContact CG2-CG2 3.77Å; V27-V59 HydrophobicContact CG1-CG2 3.99Å; F31-V59 HydrophobicContact CD2-CG2 4.48Å; F31-V59 HydrophobicContact CE2-CG2 4.22Å; I36-V59 HydrophobicContact CB-CG1 4.45Å; I36-V59 HydrophobicContact CD1-CG1 3.83Å; I36-V59 HydrophobicContact CG1-CG1 3.85Å; I36-V59 HydrophobicContact CG2-CG1 3.81Å; G42-V59 WeakPolarHBondContact O-CA 3.47Å; I43-V59 HydrophobicContact CG1-CG1 4.33Å; I43-V59 HydrophobicContact CG1-CG2 4.33Å; I43-V59 HydrophobicContact CG2-CG2 4.45Å; V59-L61 HydrophobicContact CG1-CD2 3.95Å
60E81.4Confident76.1Confident31 Ų3150.1 Ų50.115%0.14526%0.259CS..EExtended strand (participates in β ladder)trans-85.7120.2174.9-166.5174.7177.800109.7V12 I36 Q37 G42 M93V12-E60 HydrophobicContact CG2-CG 4.35Å; I36-E60 WeakPolarHBondContact CG2-O 3.15Å; Q37-E60 HydrophobicContact CB-CB 4.45Å; Q37-E60 HydrophobicContact CB-CG 4.11Å; Q37-E60 PolarHBondContact N-O 3.43Å; Q37-E60 PolarHBondContact NE2-OE1 2.83Å; Q37-E60 VanDerWaalsContact NE2-OE1 3.13Å; G42-E60 PolarHBondContact O-N 3.25Å; E60-M93 HydrophobicContact CB-CE 4.21Å
61L82Confident77.5Confident1 Ų147 Ų471%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-105.1150.2178.9-59.3178.1000109.9F11 V13 C34 I36 V59 E66 V67 A70F11-L61 HydrophobicContact CB-CB 4.42Å; F11-L61 WeakPolarHBondContact O-CA 3.38Å; F11-L61 WeakPolarHBondContact O-CB 3.48Å; F11-L61 PolarHBondContact O-N 2.75Å; V13-L61 HydrophobicContact CB-CD1 4.38Å; V13-L61 HydrophobicContact CG2-CD1 3.48Å; V13-L61 VanDerWaalsContact CG2-CD1 3.48Å; V13-L61 HydrophobicContact CG2-CG 4.24Å; C34-L61 HydrophobicContact CB-CD2 4.17Å; I36-L61 HydrophobicContact CB-CD2 4.39Å; I36-L61 HydrophobicContact CG1-CD2 3.85Å; V59-L61 HydrophobicContact CG1-CD2 3.95Å; L61-E66 HydrophobicContact CB-CB 4.25Å; L61-E66 HydrophobicContact CD1-CB 4.12Å; L61-V67 HydrophobicContact CB-CG2 4.32Å; L61-V67 HydrophobicContact CD1-CB 4.27Å; L61-V67 HydrophobicContact CD1-CG2 3.76Å; L61-A70 HydrophobicContact CD1-CB 4.15Å
62E81.1Confident78.7Confident131 Ų13152.5 Ų52.561%0.61226%0.256SS*.SBendtrans-77.8-25.5-178.5-172.6177.2-170.900112.5K35K35-E62 PolarHBondContact O-N 2.78Å
63S79.3Confident79Confident40 Ų4047.1 Ų47.128%0.2824%0.237SC..  trans-140.5151.1-174.2171.20000113D65 E66 V67S63-D65 VanDerWaalsContact C-N 3.25Å; S63-D65 PolarHBondContact O-N 2.72Å; S63-D65 PolarHBondContact OG-N 2.77Å; S63-E66 WeakPolarHBondContact O-CB 3.38Å; S63-E66 PolarHBondContact O-N 3.49Å; S63-V67 PolarHBondContact O-N 3Å
64E80Confident79.5Confident93 Ų9348.9 Ų48.944%0.43524%0.244SC..Hα-helixtrans-62.8-31.3174.2-158-166.1137.800112.6F11 E66 V67 K68F11-E64 HydrophobicContact CD1-CB 3.72Å; F11-E64 HydrophobicContact CD1-CG 3.89Å; F11-E64 HydrophobicContact CE1-CB 3.36Å; F11-E64 HydrophobicContact CE1-CG 3.56Å; F11-E64 HydrophobicContact CE2-CB 4.49Å; F11-E64 HydrophobicContact CG-CB 4.44Å; F11-E64 HydrophobicContact CZ-CB 3.8Å; F11-E64 HydrophobicContact CZ-CG 4.41Å; E64-E66 VanDerWaalsContact C-N 3.25Å; E64-E66 PolarHBondContact O-N 3.24Å; E64-V67 WeakPolarHBondContact O-CB 3.34Å; E64-V67 PolarHBondContact O-N 3.46Å; E64-K68 PolarHBondContact O-N 3.26Å; E64-K68 WeakPolarHBondContact OE1-CE 3.24Å; E64-K68 IonicContact OE1-NZ 2.79Å; E64-K68 PolarHBondContact OE1-NZ 3.45Å
65D81.3Confident79.8Confident101 Ų10155.6 Ų55.654%0.5426%0.263SS..Hα-helixtrans-66-34.6178.5-67.5-41.9000110.9S63 K68 L69S63-D65 VanDerWaalsContact C-N 3.25Å; S63-D65 PolarHBondContact O-N 2.72Å; S63-D65 PolarHBondContact OG-N 2.77Å; D65-K68 WeakPolarHBondContact O-CB 3.5Å; D65-K68 PolarHBondContact O-N 3.02Å; D65-L69 WeakPolarHBondContact O-CG 3.36Å; D65-L69 PolarHBondContact O-N 3.34Å
66E80.4Confident79.9Confident30 Ų3059.4 Ų59.414%0.1428%0.28CS..Hα-helixtrans-68-37.5174.2-51.8-67.216900110.7C34 K35 L61 S63 E64 K68 L69 A70C34-E66 WeakPolarHBondContact CA-OE2 3.17Å; C34-E66 HydrophobicContact CB-CB 4.43Å; K35-E66 HydrophobicContact CB-CG 4.23Å; K35-E66 PolarHBondContact N-OE2 3.14Å; L61-E66 HydrophobicContact CB-CB 4.25Å; L61-E66 HydrophobicContact CD1-CB 4.12Å; S63-E66 WeakPolarHBondContact O-CB 3.38Å; S63-E66 PolarHBondContact O-N 3.49Å; E64-E66 VanDerWaalsContact C-N 3.25Å; E64-E66 PolarHBondContact O-N 3.24Å; E66-K68 VanDerWaalsContact C-N 3.32Å; E66-K68 PolarHBondContact O-N 3.18Å; E66-L69 PolarHBondContact O-N 3.03Å; E66-A70 WeakPolarHBondContact O-CB 3.47Å; E66-A70 PolarHBondContact O-N 3.37Å
67V79.3Confident79.3Confident11 Ų1162.8 Ų62.87%0.06730%0.302CS..Hα-helixtrans-61-42.7172.5177.30000110.6F11 V13 L61 S63 E64 L69 A70 L71 K87F11-V67 HydrophobicContact CB-CG2 3.63Å; F11-V67 HydrophobicContact CD1-CG2 4.33Å; F11-V67 HydrophobicContact CG-CG2 4.35Å; V13-V67 HydrophobicContact CG2-CB 4.25Å; V13-V67 HydrophobicContact CG2-CG1 3.89Å; V13-V67 HydrophobicContact CG2-CG2 3.97Å; L61-V67 HydrophobicContact CB-CG2 4.32Å; L61-V67 HydrophobicContact CD1-CB 4.27Å; L61-V67 HydrophobicContact CD1-CG2 3.76Å; S63-V67 PolarHBondContact O-N 3Å; E64-V67 WeakPolarHBondContact O-CB 3.34Å; E64-V67 PolarHBondContact O-N 3.46Å; V67-L69 VanDerWaalsContact C-N 3.32Å; V67-L69 PolarHBondContact O-N 3.3Å; V67-A70 PolarHBondContact O-N 3.15Å; V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.38Å; V67-L71 WeakPolarHBondContact O-CB 3.46Å; V67-L71 VanDerWaalsContact O-CG 3.24Å; V67-L71 WeakPolarHBondContact O-CG 3.36Å; V67-L71 PolarHBondContact O-N 2.84Å; V67-K87 HydrophobicContact CG1-CB 4.14Å
68K80.9Confident78.6Confident95 Ų9564 Ų6441%0.41331%0.308SS..Hα-helixtrans-65.7-36.1177.6-70.2168.5-173.2151.70111.7E64 D65 E66 K72E64-K68 PolarHBondContact O-N 3.26Å; E64-K68 WeakPolarHBondContact OE1-CE 3.24Å; E64-K68 IonicContact OE1-NZ 2.79Å; E64-K68 PolarHBondContact OE1-NZ 3.45Å; D65-K68 WeakPolarHBondContact O-CB 3.5Å; D65-K68 PolarHBondContact O-N 3.02Å; E66-K68 VanDerWaalsContact C-N 3.32Å; E66-K68 PolarHBondContact O-N 3.18Å; K68-K72 WeakPolarHBondContact O-CG 3.39Å; K68-K72 PolarHBondContact O-N 3.32Å
69L81Confident77.9Confident77 Ų7767.7 Ų67.740%0.40335%0.346SS..Hα-helixtrans-68.2-43.9173.6-69.2172.1000111.5D65 E66 V67 L71 K72 K73D65-L69 WeakPolarHBondContact O-CG 3.36Å; D65-L69 PolarHBondContact O-N 3.34Å; E66-L69 PolarHBondContact O-N 3.03Å; V67-L69 VanDerWaalsContact C-N 3.32Å; V67-L69 PolarHBondContact O-N 3.3Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 2.79Å; L69-K72 WeakPolarHBondContact O-CB 3.37Å; L69-K72 PolarHBondContact O-N 3.26Å; L69-K72 VanDerWaalsContact O-N 3.1Å; L69-K73 PolarHBondContact O-N 3.39Å
70A78.8Confident77.1Confident0 Ų076 Ų760%038%0.384CS..Hα-helixtrans-60.9-40.7175.600000112V13 F31 L61 E66 V67 K72 K73 V85V13-A70 HydrophobicContact CG2-CB 4.46Å; F31-A70 HydrophobicContact CD1-CB 4.17Å; F31-A70 HydrophobicContact CE1-CB 3.78Å; L61-A70 HydrophobicContact CD1-CB 4.15Å; E66-A70 WeakPolarHBondContact O-CB 3.47Å; E66-A70 PolarHBondContact O-N 3.37Å; V67-A70 PolarHBondContact O-N 3.15Å; A70-K72 VanDerWaalsContact C-N 3.31Å; A70-K72 PolarHBondContact O-N 2.81Å; A70-K73 PolarHBondContact O-N 2.95Å; A70-K73 VanDerWaalsContact O-N 3.17Å; A70-V85 HydrophobicContact CB-CG1 4.08Å; A70-V85 WeakPolarHBondContact O-CG1 3.14Å
71L80.8Confident76.9Confident54 Ų5477.8 Ų77.828%0.28339%0.39SS..Hα-helixtrans-65.3-31.7174.5-74.4169.1000112.7V67 L69 K73 D74 K87V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.38Å; V67-L71 WeakPolarHBondContact O-CB 3.46Å; V67-L71 VanDerWaalsContact O-CG 3.24Å; V67-L71 WeakPolarHBondContact O-CG 3.36Å; V67-L71 PolarHBondContact O-N 2.84Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 2.79Å; L71-K73 PolarHBondContact O-N 3.19Å; L71-D74 WeakPolarHBondContact O-CB 3.33Å; L71-D74 PolarHBondContact O-N 3.46Å; L71-K87 HydrophobicContact CD1-CB 4.35Å
72K80.6Confident76.8Confident167 Ų16784.5 Ų84.573%0.72642%0.416SS*.Hα-helixtrans-71.5-20.4174.8-75.5175.3-179.5179.30113K68 L69 A70 D74K68-K72 WeakPolarHBondContact O-CG 3.39Å; K68-K72 PolarHBondContact O-N 3.32Å; L69-K72 WeakPolarHBondContact O-CB 3.37Å; L69-K72 PolarHBondContact O-N 3.26Å; L69-K72 VanDerWaalsContact O-N 3.1Å; A70-K72 VanDerWaalsContact C-N 3.31Å; A70-K72 PolarHBondContact O-N 2.81Å; K72-D74 VanDerWaalsContact C-N 3.27Å
73K72.3Confident77Confident44 Ų4478.3 Ų78.319%0.19139%0.387CS..THydrogen-bonded Turntrans-9014.5173.4-70.3-164.1170.7-158.30112.9F30 D33 L69 A70 L71 R75 E76F30-K73 PolarHBondContact O-NZ 3.11Å; D33-K73 WeakPolarHBondContact OD2-CE 3.17Å; D33-K73 IonicContact OD2-NZ 2.64Å; D33-K73 PolarHBondContact OD2-NZ 3.15Å; L69-K73 PolarHBondContact O-N 3.39Å; A70-K73 PolarHBondContact O-N 2.95Å; A70-K73 VanDerWaalsContact O-N 3.17Å; L71-K73 PolarHBondContact O-N 3.19Å; K73-R75 PolarHBondContact O-N 2.87Å; K73-E76 PolarHBondContact O-N 3.24Å
74D78.3Confident77.1Confident75 Ų7578.8 Ų78.840%0.40139%0.385SS..THydrogen-bonded Turntrans-59.7140.3172.282.6-86.6000110.6L71 K72 E76 V85L71-D74 WeakPolarHBondContact O-CB 3.33Å; L71-D74 PolarHBondContact O-N 3.46Å; K72-D74 VanDerWaalsContact C-N 3.27Å; D74-E76 VanDerWaalsContact C-N 3.31Å; D74-E76 PolarHBondContact O-N 2.59Å; D74-V85 HydrophobicContact CB-CB 4.48Å
75R72.4Confident77.3Confident182 Ų18274.7 Ų74.769%0.68737%0.366SS*.THydrogen-bonded Turntrans72.211.2-179.5-55.2166.7173.4-128.2-6.2116.2K73 V83K73-R75 PolarHBondContact O-N 2.87Å; R75-V83 VanDerWaalsContact CA-O 3.24Å; R75-V83 WeakPolarHBondContact CA-O 3.48Å; R75-V83 PolarHBondContact N-O 3.17Å
76E74.3Confident77.4Confident86 Ų8674.5 Ų74.540%0.40236%0.361SS..  trans-68.2139.7169.4-171.6174.7-173.500110.2F30 K73 D74 V83F30-E76 HydrophobicContact CE2-CB 3.73Å; F30-E76 HydrophobicContact CE2-CG 3.71Å; F30-E76 HydrophobicContact CZ-CB 3.71Å; F30-E76 HydrophobicContact CZ-CG 4.21Å; K73-E76 PolarHBondContact O-N 3.24Å; D74-E76 VanDerWaalsContact C-N 3.31Å; D74-E76 PolarHBondContact O-N 2.59Å; E76-V83 WeakPolarHBondContact O-CB 3.35Å; E76-V83 PolarHBondContact O-N 3.06Å
77T70.5Confident77.4Confident99 Ų9980.8 Ų80.861%0.60739%0.388SS*.EExtended strand (participates in β ladder)trans-89.6121.3-172.752.90000111.1R81T77-R81 CarbonylContact C-O 3.52Å; T77-R81 WeakPolarHBondContact CA-O 3.39Å
78M68.6Low77.2Confident27 Ų2780.7 Ų80.713%0.13339%0.388CS..EExtended strand (participates in β ladder)trans-99.4101165-82.5-150.4-8800110L18 P19 F30 H80 R81 V83L18-M78 HydrophobicContact CD2-CE 3.18Å; P19-M78 HydrophobicContact CG-CB 4.43Å; F30-M78 HydrophobicContact CB-CE 3.99Å; F30-M78 HydrophobicContact CB-SD 3.95Å; F30-M78 HydrophobicContact CD1-CE 4.26Å; F30-M78 HydrophobicContact CD2-CE 3.96Å; F30-M78 HydrophobicContact CD2-CG 3.53Å; F30-M78 HydrophobicContact CD2-SD 3.81Å; F30-M78 HydrophobicContact CE2-CE 4.46Å; F30-M78 HydrophobicContact CE2-CG 3.81Å; F30-M78 HydrophobicContact CG-CE 3.81Å; F30-M78 HydrophobicContact CG-CG 4.32Å; F30-M78 HydrophobicContact CG-SD 4.03Å; M78-H80 PolarHBondContact O-N 2.69Å; M78-R81 CarbonylContact C-O 3.58Å; M78-R81 PolarHBondContact N-O 3.46Å; M78-R81 PolarHBondContact O-N 3.12Å; M78-V83 HydrophobicContact CB-CG2 3.74Å; M78-V83 HydrophobicContact CE-CG2 3.7Å; M78-V83 HydrophobicContact CG-CG2 3.83Å
79G68.2Low77Confident77 Ų7781 Ų8179%0.79439%0.393SS*.THydrogen-bonded Turntrans68.6-119.8-176.200000111.5
80H68.3Low76.4Confident175 Ų17580 Ų8081%0.8139%0.389SS*.THydrogen-bonded Turntrans-95.98.417964.6-85.6000113.3M78M78-H80 PolarHBondContact O-N 2.69Å
81R75.6Confident76Confident68 Ų6885.6 Ų85.626%0.25742%0.423SS..EExtended strand (participates in β ladder)trans-124.6139.7-178.1-60-172.668.4-179.9-2.5110.4G17 L18 T77 M78G17-R81 VanDerWaalsContact O-CB 3.3Å; G17-R81 WeakPolarHBondContact O-CB 3.34Å; G17-R81 PolarHBondContact O-NE 2.95Å; L18-R81 PolarHBondContact O-NH1 3.37Å; T77-R81 CarbonylContact C-O 3.52Å; T77-R81 WeakPolarHBondContact CA-O 3.39Å; M78-R81 CarbonylContact C-O 3.58Å; M78-R81 PolarHBondContact N-O 3.46Å; M78-R81 PolarHBondContact O-N 3.12Å
82Y80.8Confident75.4Confident143 Ų14387.4 Ų87.456%0.56143%0.43SS*.EExtended strand (participates in β ladder)trans-81.8139.3170.155.3-91.2000109.6E84Y82-E84 HydrophobicContact CD2-CG 3.9Å; Y82-E84 HydrophobicContact CE2-CG 4Å
83V84.6Confident74.8Confident0 Ų079.6 Ų79.60%040%0.396CS..PPolyproline II helixtrans-98.3122.9178.6-177.40000108.4V15 R16 L18 F30 R75 E76 M78 V85V15-V83 HydrophobicContact CG1-CG1 3.26Å; R16-V83 CarbonylContact O-C 3.55Å; R16-V83 WeakPolarHBondContact O-CA 3.5Å; L18-V83 HydrophobicContact CD2-CG1 4.14Å; L18-V83 HydrophobicContact CD2-CG2 4.25Å; F30-V83 HydrophobicContact CE1-CB 4.37Å; F30-V83 HydrophobicContact CE1-CG1 4.02Å; F30-V83 HydrophobicContact CE2-CB 4.49Å; F30-V83 HydrophobicContact CE2-CG2 4.37Å; F30-V83 HydrophobicContact CZ-CB 3.88Å; F30-V83 HydrophobicContact CZ-CG1 4.05Å; F30-V83 HydrophobicContact CZ-CG2 4.22Å; R75-V83 VanDerWaalsContact CA-O 3.24Å; R75-V83 WeakPolarHBondContact CA-O 3.48Å; R75-V83 PolarHBondContact N-O 3.17Å; E76-V83 WeakPolarHBondContact O-CB 3.35Å; E76-V83 PolarHBondContact O-N 3.06Å; M78-V83 HydrophobicContact CB-CG2 3.74Å; M78-V83 HydrophobicContact CE-CG2 3.7Å; M78-V83 HydrophobicContact CG-CG2 3.83Å; V83-V85 HydrophobicContact CG1-CG2 4.23Å
84E82Confident74.4Confident51 Ų5180.8 Ų80.824%0.23840%0.404CS..EExtended strand (participates in β ladder)trans-100132.5174.3-59.9-177.5128.100109.1V15 R16 Y82 F86V15-E84 CarbonylContact C-O 3.56Å; V15-E84 WeakPolarHBondContact CA-O 3.12Å; R16-E84 HydrophobicContact CB-CB 4.33Å; R16-E84 PolarHBondContact N-O 2.93Å; R16-E84 PolarHBondContact O-N 3.19Å; Y82-E84 HydrophobicContact CD2-CG 3.9Å; Y82-E84 HydrophobicContact CE2-CG 4Å; E84-F86 HydrophobicContact CB-CD2 4.31Å; E84-F86 HydrophobicContact CB-CE2 3.51Å; E84-F86 HydrophobicContact CB-CZ 3.98Å
85V85.3Confident73.9Confident7 Ų784.4 Ų84.44%0.04241%0.412CS..EExtended strand (participates in β ladder)trans-119.1120.2-176.4-1740000107.7V13 F31 A70 D74 V83V13-V85 HydrophobicContact CG1-CB 4.43Å; V13-V85 HydrophobicContact CG1-CG1 3.08Å; F31-V85 HydrophobicContact CE1-CG1 4.43Å; F31-V85 HydrophobicContact CE1-CG2 4.37Å; F31-V85 HydrophobicContact CZ-CG1 4.42Å; F31-V85 HydrophobicContact CZ-CG2 4.04Å; A70-V85 HydrophobicContact CB-CG1 4.08Å; A70-V85 WeakPolarHBondContact O-CG1 3.14Å; D74-V85 HydrophobicContact CB-CB 4.48Å; V83-V85 HydrophobicContact CG1-CG2 4.23Å
86F83Confident73.6Confident97 Ų9776.6 Ų76.643%0.42539%0.385SS..EExtended strand (participates in β ladder)trans-119.8138.7-178.8-61.2-84.6000109.5V13 K14 R16 E84 S88V13-F86 CarbonylContact C-O 3.59Å; V13-F86 WeakPolarHBondContact CA-O 3.35Å; V13-F86 WeakPolarHBondContact CG1-O 3.27Å; K14-F86 HydrophobicContact CB-CB 4.29Å; K14-F86 PolarHBondContact N-O 3.25Å; K14-F86 PolarHBondContact O-N 3.04Å; R16-F86 HydrophobicContact CB-CE2 4.33Å; E84-F86 HydrophobicContact CB-CD2 4.31Å; E84-F86 HydrophobicContact CB-CE2 3.51Å; E84-F86 HydrophobicContact CB-CZ 3.98Å; F86-S88 PolarHBondContact O-N 2.9Å
87K80.8Confident73.1Confident162 Ų16274.5 Ų74.570%0.70438%0.376SS*.EExtended strand (participates in β ladder)trans-69.3130.9167.263.5177.3-171.9171.30109.4V67 L71V67-K87 HydrophobicContact CG1-CB 4.14Å; L71-K87 HydrophobicContact CD1-CB 4.35Å
88S74.1Confident72.5Confident9 Ų975.4 Ų75.46%0.06337%0.372CS..EExtended strand (participates in β ladder)trans-133.7162.3176.1-87.70000110.1V12 K14 F86 E92V12-S88 CarbonylContact C-O 3.52Å; V12-S88 CarbonylContact O-C 3.57Å; V12-S88 PolarHBondContact O-N 2.89Å; K14-S88 WeakPolarHBondContact CB-OG 3.19Å; F86-S88 PolarHBondContact O-N 2.9Å; S88-E92 WeakPolarHBondContact CB-OE2 3.3Å; S88-E92 PolarHBondContact OG-OE2 3.11Å
89N76.7Confident71.9Confident100 Ų10079.9 Ų79.954%0.53539%0.392SS..EExtended strand (participates in β ladder)trans-98.9153.1177.3-74.70.5000110.8V91 E92 M93N89-V91 PolarHBondContact O-N 3.38Å; N89-E92 WeakPolarHBondContact O-CB 3.24Å; N89-E92 PolarHBondContact O-N 2.87Å; N89-M93 PolarHBondContact O-N 3.4Å
90N69.5Low71.1Confident58 Ų5878.7 Ų78.731%0.3137%0.369SS..Hα-helixtrans-54.2-35.5173.9-164.8-12.3000112.5V12 E92 M93 D94V12-N90 HydrophobicContact CG2-CB 4.11Å; N90-E92 VanDerWaalsContact C-N 3.35Å; N90-E92 PolarHBondContact O-N 3.36Å; N90-M93 WeakPolarHBondContact O-CB 3.27Å; N90-M93 PolarHBondContact O-N 3.49Å; N90-D94 VanDerWaalsContact O-CB 3.31Å; N90-D94 WeakPolarHBondContact O-CB 3.37Å; N90-D94 PolarHBondContact O-N 3.01Å
91V68.7Low70Confident117 Ų11771.6 Ų71.671%0.70934%0.344SS*.Hα-helixtrans-63.3-38.9175.1-177.40000112.4N89 W95N89-V91 PolarHBondContact O-N 3.38Å; V91-W95 WeakPolarHBondContact O-CB 3.35Å; V91-W95 PolarHBondContact O-N 2.82Å
92E68.3Low68.5Low91 Ų9171.6 Ų71.643%0.42535%0.353SS..Hα-helixtrans-71.2-42.3176.5-172.3-176.2-169.300110.4S88 N89 N90 W95 V96S88-E92 WeakPolarHBondContact CB-OE2 3.3Å; S88-E92 PolarHBondContact OG-OE2 3.11Å; N89-E92 WeakPolarHBondContact O-CB 3.24Å; N89-E92 PolarHBondContact O-N 2.87Å; N90-E92 VanDerWaalsContact C-N 3.35Å; N90-E92 PolarHBondContact O-N 3.36Å; E92-W95 PolarHBondContact O-N 3.42Å; E92-V96 HydrophobicContact CG-CG2 4.38Å; E92-V96 WeakPolarHBondContact O-CB 3.23Å; E92-V96 WeakPolarHBondContact O-CG2 3.39Å; E92-V96 PolarHBondContact O-N 3.18Å
93M67.7Low66.7Low4 Ų471.6 Ų71.62%0.0236%0.362CS..Hα-helixtrans-55.9-52.3174.2-170.8-153.1-128.700111.1V12 R44 F58 E60 N89 N90 V96 L97V12-M93 HydrophobicContact CG1-CB 4.07Å; V12-M93 HydrophobicContact CG1-CE 3.75Å; V12-M93 HydrophobicContact CG1-CG 4.12Å; V12-M93 HydrophobicContact CG1-SD 4.19Å; V12-M93 HydrophobicContact CG2-CE 4.26Å; V12-M93 HydrophobicContact CG2-SD 4.18Å; R44-M93 HydrophobicContact CB-CE 4.36Å; R44-M93 HydrophobicContact CG-CE 4.22Å; F58-M93 HydrophobicContact CB-CE 3.44Å; F58-M93 VanDerWaalsContact CB-CE 3.44Å; F58-M93 HydrophobicContact CB-CG 3.65Å; F58-M93 HydrophobicContact CB-SD 4.38Å; F58-M93 HydrophobicContact CD1-CB 4.22Å; F58-M93 HydrophobicContact CD1-CG 4.11Å; F58-M93 HydrophobicContact CD2-CG 3.98Å; F58-M93 HydrophobicContact CG-CB 4.28Å; F58-M93 HydrophobicContact CG-CE 4.5Å; F58-M93 HydrophobicContact CG-CG 3.68Å; E60-M93 HydrophobicContact CB-CE 4.21Å; N89-M93 PolarHBondContact O-N 3.4Å; N90-M93 WeakPolarHBondContact O-CB 3.27Å; N90-M93 PolarHBondContact O-N 3.49Å; M93-V96 PolarHBondContact O-N 3.09Å; M93-L97 HydrophobicContact CG-CD1 3.7Å; M93-L97 WeakPolarHBondContact O-CB 3.38Å; M93-L97 WeakPolarHBondContact O-CD1 3.31Å; M93-L97 WeakPolarHBondContact O-CG 3.05Å; M93-L97 PolarHBondContact O-N 3.17Å; M93-L97 HydrophobicContact SD-CD1 4.15Å
94D65.4Low64.7Low68 Ų6872.5 Ų72.536%0.36437%0.368SS..Hα-helixtrans-66.6-40.3-179.1-176.859.9000111.8N90 L97 K98N90-D94 VanDerWaalsContact O-CB 3.31Å; N90-D94 WeakPolarHBondContact O-CB 3.37Å; N90-D94 PolarHBondContact O-N 3.01Å; D94-L97 PolarHBondContact O-N 3.38Å; D94-K98 VanDerWaalsContact CG-CE 3.5Å; D94-K98 VanDerWaalsContact O-CB 3.24Å; D94-K98 WeakPolarHBondContact O-CB 3.47Å; D94-K98 WeakPolarHBondContact O-CD 3.42Å; D94-K98 WeakPolarHBondContact O-CG 3.34Å; D94-K98 PolarHBondContact O-N 2.87Å; D94-K98 WeakPolarHBondContact OD1-CE 3.44Å; D94-K98 IonicContact OD1-NZ 2.69Å; D94-K98 PolarHBondContact OD1-NZ 2.77Å; D94-K98 WeakPolarHBondContact OD2-CE 3.39Å; D94-K98 IonicContact OD2-NZ 3.38Å; D94-K98 PolarHBondContact OD2-NZ 3.18Å
95W67.8Low62.9Low152 Ų15275.2 Ų75.258%0.57639%0.39SS*.Hα-helixtrans-61.9-47.5173.5-174.889.5000111.6V91 E92 K98 H99V91-W95 WeakPolarHBondContact O-CB 3.35Å; V91-W95 PolarHBondContact O-N 2.82Å; E92-W95 PolarHBondContact O-N 3.42Å; W95-K98 PolarHBondContact O-N 2.77Å; W95-H99 AromaticContact CD1-CE1 3.54Å; W95-H99 AromaticContact CD1-ND1 3.81Å; W95-H99 AromaticContact CD2-ND1 3.89Å; W95-H99 AromaticContact CE2-CE1 3.78Å; W95-H99 AromaticContact CE2-ND1 3.76Å; W95-H99 AromaticContact CG-ND1 3.92Å; W95-H99 AromaticContact NE1-CE1 3.3Å; W95-H99 PolarHBondContact NE1-CE1 3Å; W95-H99 VanDerWaalsContact NE1-CE1 3.3Å; W95-H99 AromaticContact NE1-ND1 3.7Å; W95-H99 AromaticContact NE1-NE2 3.85Å; W95-H99 PolarHBondContact O-N 2.86Å; W95-H99 VanDerWaalsContact O-N 3.08Å; W95-H99 PolarHBondContact O-ND1 3.26Å
96V65.1Low61.1Low18 Ų1880.8 Ų80.811%0.10942%0.42CS..Hα-helixtrans-66.3-41.9178.9175.80000110.6I46 F58 E92 M93 K98 H99 T100I46-V96 HydrophobicContact CD1-CG1 4.01Å; I46-V96 HydrophobicContact CG1-CG1 4.48Å; I46-V96 HydrophobicContact CG2-CG1 4.33Å; F58-V96 HydrophobicContact CE2-CB 3.81Å; F58-V96 HydrophobicContact CE2-CG1 3.66Å; F58-V96 HydrophobicContact CE2-CG2 4.42Å; F58-V96 HydrophobicContact CZ-CB 3.94Å; F58-V96 HydrophobicContact CZ-CG1 4.05Å; F58-V96 HydrophobicContact CZ-CG2 4.05Å; E92-V96 HydrophobicContact CG-CG2 4.38Å; E92-V96 WeakPolarHBondContact O-CB 3.23Å; E92-V96 WeakPolarHBondContact O-CG2 3.39Å; E92-V96 PolarHBondContact O-N 3.18Å; M93-V96 PolarHBondContact O-N 3.09Å; V96-K98 VanDerWaalsContact C-N 3.32Å; V96-K98 PolarHBondContact O-N 2.81Å; V96-H99 PolarHBondContact O-N 3.44Å; V96-T100 VanDerWaalsContact CG1-OG1 3.3Å; V96-T100 WeakPolarHBondContact CG1-OG1 3.21Å; V96-T100 WeakPolarHBondContact O-CA 3.46Å; V96-T100 VanDerWaalsContact O-CB 3.27Å; V96-T100 WeakPolarHBondContact O-CB 3.45Å; V96-T100 PolarHBondContact O-N 3.41Å; V96-T100 PolarHBondContact O-OG1 2.83Å
97L64.8Low59.5Low42 Ų4278 Ų7822%0.2241%0.411CS..Hα-helixtrans-64.3-37.4177.1-72.9162.6000112.5R44 M93 D94 H99 G101R44-L97 HydrophobicContact CB-CD1 4.17Å; R44-L97 HydrophobicContact CB-CD2 4.05Å; R44-L97 HydrophobicContact CG-CD1 4.34Å; M93-L97 HydrophobicContact CG-CD1 3.7Å; M93-L97 WeakPolarHBondContact O-CB 3.38Å; M93-L97 WeakPolarHBondContact O-CD1 3.31Å; M93-L97 WeakPolarHBondContact O-CG 3.05Å; M93-L97 PolarHBondContact O-N 3.17Å; M93-L97 HydrophobicContact SD-CD1 4.15Å; D94-L97 PolarHBondContact O-N 3.38Å; L97-H99 VanDerWaalsContact C-N 3.33Å; L97-H99 PolarHBondContact O-N 2.86Å; L97-G101 WeakPolarHBondContact O-CA 3.41Å; L97-G101 PolarHBondContact O-N 2.88Å
98K57.5Low57.8Low117 Ų11772.5 Ų72.551%0.50940%0.396SS..Hα-helixtrans-68.9-29.2176.6-75.9171.3174.51710113.4D94 W95 V96D94-K98 VanDerWaalsContact CG-CE 3.5Å; D94-K98 VanDerWaalsContact O-CB 3.24Å; D94-K98 WeakPolarHBondContact O-CB 3.47Å; D94-K98 WeakPolarHBondContact O-CD 3.42Å; D94-K98 WeakPolarHBondContact O-CG 3.34Å; D94-K98 PolarHBondContact O-N 2.87Å; D94-K98 WeakPolarHBondContact OD1-CE 3.44Å; D94-K98 IonicContact OD1-NZ 2.69Å; D94-K98 PolarHBondContact OD1-NZ 2.77Å; D94-K98 WeakPolarHBondContact OD2-CE 3.39Å; D94-K98 IonicContact OD2-NZ 3.38Å; D94-K98 PolarHBondContact OD2-NZ 3.18Å; W95-K98 PolarHBondContact O-N 2.77Å; V96-K98 VanDerWaalsContact C-N 3.32Å; V96-K98 PolarHBondContact O-N 2.81Å
99H55.2Low56.6Low121 Ų12178 Ų7856%0.5643%0.425SS*.Hα-helixtrans-102.2-15.5-177.1-6779.7000114.4W95 V96 L97W95-H99 AromaticContact CD1-CE1 3.54Å; W95-H99 AromaticContact CD1-ND1 3.81Å; W95-H99 AromaticContact CD2-ND1 3.89Å; W95-H99 AromaticContact CE2-CE1 3.78Å; W95-H99 AromaticContact CE2-ND1 3.76Å; W95-H99 AromaticContact CG-ND1 3.92Å; W95-H99 AromaticContact NE1-CE1 3.3Å; W95-H99 PolarHBondContact NE1-CE1 3Å; W95-H99 VanDerWaalsContact NE1-CE1 3.3Å; W95-H99 AromaticContact NE1-ND1 3.7Å; W95-H99 AromaticContact NE1-NE2 3.85Å; W95-H99 PolarHBondContact O-N 2.86Å; W95-H99 VanDerWaalsContact O-N 3.08Å; W95-H99 PolarHBondContact O-ND1 3.26Å; V96-H99 PolarHBondContact O-N 3.44Å; L97-H99 VanDerWaalsContact C-N 3.33Å; L97-H99 PolarHBondContact O-N 2.86Å
100T51.5Low55.7Low52 Ų5276.5 Ų76.532%0.31942%0.417SS..Hα-helixtrans-123.7-0.7-175-10.90000112.8I46 V96I46-T100 HydrophobicContact CG2-CG2 4.24Å; V96-T100 VanDerWaalsContact CG1-OG1 3.3Å; V96-T100 WeakPolarHBondContact CG1-OG1 3.21Å; V96-T100 WeakPolarHBondContact O-CA 3.46Å; V96-T100 VanDerWaalsContact O-CB 3.27Å; V96-T100 WeakPolarHBondContact O-CB 3.45Å; V96-T100 PolarHBondContact O-N 3.41Å; V96-T100 PolarHBondContact O-OG1 2.83Å
101G45.4Very low55.6Low26 Ų2674.1 Ų74.127%0.26841%0.405SS..  trans-89.7143.7178.900000113.5L97 N103L97-G101 WeakPolarHBondContact O-CA 3.41Å; L97-G101 PolarHBondContact O-N 2.88Å; G101-N103 PolarHBondContact O-N 3.11Å
102P44.8Very low55.9Low69 Ų6969.3 Ų69.345%0.44838%0.375SS..THydrogen-bonded Turntrans-68.63.2171.626.9-33.2000114.9K185P102-K185 PolarHBondContact O-NZ 3.26Å; P102-K185 VanDerWaalsContact O-NZ 3.15Å
103N42.2Very low56.6Low142 Ų14265 Ų6576%0.75936%0.355SS*.THydrogen-bonded Turntrans-133.848.4-172.2-73.6-17.3000112.4G101G101-N103 PolarHBondContact O-N 3.11Å
104S42.3Very low57.4Low19 Ų1965.7 Ų65.713%0.13336%0.357CS..  trans-76.9132.4159.877.10000108.5D106 T107S104-D106 PolarHBondContact O-N 2.81Å; S104-D106 VanDerWaalsContact O-N 3.11Å; S104-T107 PolarHBondContact O-N 2.73Å; S104-T107 PolarHBondContact O-OG1 2.76Å; S104-T107 WeakPolarHBondContact OG-CG2 3.27Å; S104-T107 PolarHBondContact OG-N 3.46Å; S104-T107 PolarHBondContact OG-OG1 2.79Å
105P45.7Very low58.4Low108 Ų10862.4 Ų62.470%0.70134%0.34SS*.G310 helixtrans-62.9-14.1174.723.6-31.4000113
106D45.9Very low59.2Low125 Ų12559.2 Ų59.267%0.66833%0.328SS*.G310 helixtrans-78.9-12169.2-76.9-46.9000114S104 A108S104-D106 PolarHBondContact O-N 2.81Å; S104-D106 VanDerWaalsContact O-N 3.11Å; D106-A108 VanDerWaalsContact C-N 3.32Å
107T49.7Very low59.8Low37 Ų3759.4 Ų59.423%0.22733%0.333CS..G310 helixtrans-83-8.3170.254.10000113.5S104S104-T107 PolarHBondContact O-N 2.73Å; S104-T107 PolarHBondContact O-OG1 2.76Å; S104-T107 WeakPolarHBondContact OG-CG2 3.27Å; S104-T107 PolarHBondContact OG-N 3.46Å; S104-T107 PolarHBondContact OG-OG1 2.79Å
108A44.6Very low60.7Low47 Ų4757.5 Ų57.539%0.38832%0.323SS..SBendtrans-84.6-34.3-175.600000113.6D106 Q162D106-A108 VanDerWaalsContact C-N 3.32Å; A108-Q162 PolarHBondContact O-NE2 3.3Å; A108-Q162 PolarHBondContact O-OE1 3.04Å
109N50.1Low61.8Low126 Ų12652.8 Ų52.867%0.67431%0.305SS*.SBendtrans-110.91.7-159-77.3-59.3000117.2
110D57.4Low62.7Low68 Ų6853.5 Ų53.536%0.36431%0.306SS..SBendtrans-107.9-0.7-163.1-122.48.9000114.8F112 R188D110-F112 HydrophobicContact CB-CD2 3.93Å; D110-F112 HydrophobicContact CB-CE2 4.46Å; D110-F112 WeakPolarHBondContact O-CD2 3.48Å; D110-F112 PolarHBondContact O-N 2.86Å; D110-F112 VanDerWaalsContact O-N 3.11Å; D110-R188 WeakPolarHBondContact OD2-CB 3.08Å
111G67.4Low63.8Low7 Ų754.2 Ų54.27%0.07232%0.324CS..  trans62.220174.900000114.5F159G111-F159 WeakPolarHBondContact O-CB 3.36Å; G111-F159 PolarHBondContact O-N 2.56Å
112F75.8Confident65.3Low16 Ų1653.3 Ų53.37%0.0731%0.314CS..EExtended strand (participates in β ladder)trans-89.5142.1179-83-95.4000111.8D110 V157 Q158 S186 R188 V191D110-F112 HydrophobicContact CB-CD2 3.93Å; D110-F112 HydrophobicContact CB-CE2 4.46Å; D110-F112 WeakPolarHBondContact O-CD2 3.48Å; D110-F112 PolarHBondContact O-N 2.86Å; D110-F112 VanDerWaalsContact O-N 3.11Å; F112-V157 WeakPolarHBondContact CA-O 3.22Å; F112-Q158 HydrophobicContact CD1-CB 4Å; F112-Q158 HydrophobicContact CD1-CG 4.34Å; F112-Q158 HydrophobicContact CD2-CG 4.07Å; F112-Q158 HydrophobicContact CE1-CB 3.57Å; F112-Q158 HydrophobicContact CE1-CG 3.87Å; F112-Q158 HydrophobicContact CE2-CB 4.2Å; F112-Q158 VanDerWaalsContact CE2-CD 3.48Å; F112-Q158 HydrophobicContact CE2-CG 3.54Å; F112-Q158 VanDerWaalsContact CE2-NE2 3.34Å; F112-Q158 HydrophobicContact CG-CB 4.49Å; F112-Q158 HydrophobicContact CG-CG 4.45Å; F112-Q158 HydrophobicContact CZ-CB 3.68Å; F112-Q158 HydrophobicContact CZ-CG 3.43Å; F112-Q158 VanDerWaalsContact CZ-CG 3.43Å; F112-S186 CarbonylContact C-O 3.37Å; F112-S186 WeakPolarHBondContact CB-O 3.34Å; F112-S186 PolarHBondContact O-N 2.78Å; F112-R188 HydrophobicContact CD2-CB 3.76Å; F112-R188 HydrophobicContact CD2-CG 4.48Å; F112-R188 HydrophobicContact CE2-CB 3.46Å; F112-R188 VanDerWaalsContact CE2-CB 3.46Å; F112-R188 HydrophobicContact CE2-CG 3.72Å; F112-R188 HydrophobicContact CG-CB 4.44Å; F112-R188 HydrophobicContact CZ-CB 3.89Å; F112-R188 HydrophobicContact CZ-CG 3.73Å; F112-V191 HydrophobicContact CD1-CG2 3.73Å; F112-V191 HydrophobicContact CE1-CG2 3.93Å
113V83Confident67Low1 Ų152 Ų521%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-136.3136.8179.8173.60000108.8L115 F156 V157 F159 A165 I183 F184V113-L115 HydrophobicContact CG1-CD2 4.26Å; V113-F156 CarbonylContact O-C 3.5Å; V113-F156 WeakPolarHBondContact O-CA 3.3Å; V113-V157 PolarHBondContact N-O 2.91Å; V113-V157 PolarHBondContact O-N 3.45Å; V113-F159 HydrophobicContact CB-CD2 4.19Å; V113-F159 HydrophobicContact CB-CE2 3.73Å; V113-F159 HydrophobicContact CG1-CE2 4.36Å; V113-F159 HydrophobicContact CG2-CD2 3.71Å; V113-F159 HydrophobicContact CG2-CE2 3.54Å; V113-A165 HydrophobicContact CG2-CB 3.72Å; V113-I183 HydrophobicContact CG1-CG2 3.16Å; V113-F184 CarbonylContact C-O 3.6Å; V113-F184 WeakPolarHBondContact CA-O 3.29Å; V113-F184 WeakPolarHBondContact CG1-O 3.11Å
114R83.8Confident68.9Low18 Ų1851 Ų517%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-101.7128.6174169.5-178.2151.295.72.4109.5E154 A155 F156 F184 S186R114-E154 IonicContact CZ-OE1 3.29Å; R114-E154 IonicContact CZ-OE2 2.7Å; R114-E154 IonicContact NH1-OE1 2.82Å; R114-E154 PolarHBondContact NH1-OE1 3.4Å; R114-E154 IonicContact NH1-OE2 3.86Å; R114-E154 PolarHBondContact NH1-OE2 2.79Å; R114-E154 IonicContact NH2-OE1 3.17Å; R114-E154 PolarHBondContact NH2-OE1 3.1Å; R114-E154 IonicContact NH2-OE2 3.04Å; R114-A155 CarbonylContact C-O 3.55Å; R114-A155 WeakPolarHBondContact CA-O 3.36Å; R114-F156 HydrophobicContact CB-CD1 3.86Å; R114-F156 HydrophobicContact CB-CE1 3.88Å; R114-F156 HydrophobicContact CG-CD1 4.19Å; R114-F156 HydrophobicContact CG-CE1 3.85Å; R114-F156 HydrophobicContact CG-CZ 4.49Å; R114-F184 HydrophobicContact CB-CB 4.36Å; R114-F184 PolarHBondContact N-O 3.19Å; R114-F184 PolarHBondContact O-N 2.91Å; R114-S186 WeakPolarHBondContact CB-OG 3.49Å
115L85.6Confident70.8Confident0 Ų054.9 Ų54.90%031%0.311CS..EExtended strand (participates in β ladder)trans-99.6136.8171.3-52.3179.3000109.3V113 L118 I127 F131 E154 A155 V157 I181 E182 I183V113-L115 HydrophobicContact CG1-CD2 4.26Å; L115-L118 HydrophobicContact CB-CD1 3.99Å; L115-L118 HydrophobicContact CB-CG 4.27Å; L115-L118 HydrophobicContact CD1-CD1 4.2Å; L115-L118 HydrophobicContact CD1-CD2 4.31Å; L115-I127 HydrophobicContact CD1-CD1 4.43Å; L115-I127 HydrophobicContact CD1-CG1 4.36Å; L115-I127 HydrophobicContact CD1-CG2 3.71Å; L115-F131 HydrophobicContact CD1-CE2 3.86Å; L115-F131 HydrophobicContact CD2-CE2 3.77Å; L115-F131 HydrophobicContact CD2-CZ 3.63Å; L115-F131 HydrophobicContact CG-CE2 4.35Å; L115-E154 CarbonylContact O-C 3.42Å; L115-E154 VanDerWaalsContact O-CA 3.28Å; L115-E154 WeakPolarHBondContact O-CA 3.23Å; L115-A155 HydrophobicContact CB-CB 4.3Å; L115-A155 HydrophobicContact CD1-CB 4.32Å; L115-A155 PolarHBondContact N-O 2.8Å; L115-A155 PolarHBondContact O-N 2.86Å; L115-V157 HydrophobicContact CD1-CG2 3.79Å; L115-V157 HydrophobicContact CG-CG2 4.2Å; L115-I181 HydrophobicContact CB-CG2 4.14Å; L115-I181 HydrophobicContact CD2-CG2 4.16Å; L115-E182 CarbonylContact C-O 3.47Å; L115-E182 WeakPolarHBondContact CA-O 3.09Å; L115-I183 HydrophobicContact CD2-CB 4.41Å; L115-I183 HydrophobicContact CD2-CD1 4.49Å; L115-I183 HydrophobicContact CD2-CG1 3.86Å; L115-I183 HydrophobicContact CD2-CG2 4.18Å
116R84.4Confident72.5Confident85 Ų8553.3 Ų53.332%0.32129%0.294SS..EExtended strand (participates in β ladder)trans-129.5148.1171.3-172.4-170.1-174.4171.65109.6E50 G153 I181 E182 F184E50-R116 IonicContact OE1-CZ 2.93Å; E50-R116 IonicContact OE1-NH1 3.67Å; E50-R116 PolarHBondContact OE1-NH1 3.47Å; E50-R116 IonicContact OE1-NH2 2.8Å; R116-G153 CarbonylContact C-O 3.5Å; R116-I181 WeakPolarHBondContact O-CA 3.4Å; R116-E182 HydrophobicContact CB-CB 4.32Å; R116-E182 PolarHBondContact N-O 3.16Å; R116-E182 PolarHBondContact O-N 3.5Å; R116-F184 HydrophobicContact CB-CD2 4.46Å; R116-F184 HydrophobicContact CB-CE2 4.04Å
117G79.5Confident74.2Confident21 Ų2147.3 Ų47.322%0.21626%0.262CS..  trans90.715176.400000113.2G153 R179 I181G117-G153 PolarHBondContact N-O 3.4Å; G117-R179 VanDerWaalsContact O-CB 3.3Å; G117-R179 WeakPolarHBondContact O-CB 3.32Å; G117-R179 WeakPolarHBondContact O-CD 3.39Å; G117-I181 VanDerWaalsContact O-CD1 3.27Å; G117-I181 WeakPolarHBondContact O-CD1 3.41Å
118L83.1Confident75.8Confident3 Ų349.1 Ų49.12%0.01627%0.273CS..  trans-61.7139.3176.4-66.6167.7000110.2L115 C122 I127 G153 A155 I176 R179 I181L115-L118 HydrophobicContact CB-CD1 3.99Å; L115-L118 HydrophobicContact CB-CG 4.27Å; L115-L118 HydrophobicContact CD1-CD1 4.2Å; L115-L118 HydrophobicContact CD1-CD2 4.31Å; L118-C122 HydrophobicContact CB-CB 4.13Å; L118-I127 HydrophobicContact CD1-CD1 3.94Å; L118-I127 HydrophobicContact CD1-CG1 4.48Å; L118-I127 HydrophobicContact CD2-CG1 4.36Å; L118-G153 PolarHBondContact N-O 3.23Å; L118-A155 HydrophobicContact CD1-CB 3.33Å; L118-I176 HydrophobicContact CD2-CD1 3.87Å; L118-R179 PolarHBondContact O-NH1 3.27Å; L118-I181 HydrophobicContact CD2-CD1 3.75Å; L118-I181 HydrophobicContact CD2-CG1 4.21Å; L118-I181 HydrophobicContact CD2-CG2 4.25Å; L118-I181 HydrophobicContact CG-CD1 4.3Å
119P79.9Confident77.5Confident18 Ų1853.6 Ų53.612%0.11729%0.286CS..  trans-61.2148.7170.621.5-25.7000110.2G121 C122 I176P119-G121 PolarHBondContact O-N 2.81Å; P119-G121 VanDerWaalsContact O-N 3.16Å; P119-C122 HydrophobicContact CG-CB 3.93Å; P119-C122 WeakPolarHBondContact O-CB 3.4Å; P119-C122 PolarHBondContact O-N 3.5Å; P119-I176 HydrophobicContact CG-CG2 4.19Å
120F75.2Confident78.9Confident135 Ų13548.7 Ų48.759%0.59226%0.259SS*.THydrogen-bonded Turntrans-63.1-25.1-173.7-62.6-61.1000113.9C122 S151F120-C122 VanDerWaalsContact C-N 3.34Å; F120-S151 VanDerWaalsContact CD1-O 3.29Å; F120-S151 WeakPolarHBondContact CD1-O 3.44Å; F120-S151 WeakPolarHBondContact O-CB 3.5Å; F120-S151 PolarHBondContact O-OG 3.25Å; F120-S151 VanDerWaalsContact O-OG 3.08Å
121G73.4Confident80Confident67 Ų6745.5 Ų45.569%0.69124%0.241SC*.THydrogen-bonded Turntrans-88.58.4173.100000114.7P119 S123P119-G121 PolarHBondContact O-N 2.81Å; P119-G121 VanDerWaalsContact O-N 3.16Å; G121-S123 PolarHBondContact O-N 3.4Å
122C77.6Confident80.3Confident8 Ų849 Ų495%0.05427%0.265CS..  trans-69.2119-177.1-163.60000110.9L118 P119 F120 E126L118-C122 HydrophobicContact CB-CB 4.13Å; P119-C122 HydrophobicContact CG-CB 3.93Å; P119-C122 WeakPolarHBondContact O-CB 3.4Å; P119-C122 PolarHBondContact O-N 3.5Å; F120-C122 VanDerWaalsContact C-N 3.34Å; C122-E126 VanDerWaalsContact CA-OE2 3.29Å; C122-E126 WeakPolarHBondContact CA-OE2 3.16Å; C122-E126 PolarHBondContact SG-OE2 3.08Å
123S80.4Confident80Confident42 Ų4252.3 Ų52.329%0.29430%0.304SS..  trans-92.4163.7178.382.70000111.3G121 E125 E126 I127G121-S123 PolarHBondContact O-N 3.4Å; S123-E125 WeakPolarHBondContact CB-OE2 3.45Å; S123-E125 PolarHBondContact O-N 3.35Å; S123-E125 PolarHBondContact OG-N 2.92Å; S123-E125 PolarHBondContact OG-OE2 3.37Å; S123-E126 PolarHBondContact O-N 2.84Å; S123-E126 VanDerWaalsContact O-N 3.14Å; S123-E126 PolarHBondContact OG-N 2.75Å; S123-I127 PolarHBondContact O-N 3.4Å
124K81.2Confident79.9Confident120 Ų12053.7 Ų53.752%0.52231%0.311SS..Hα-helixtrans-57.5-32.617565.9-178.4-179.6-177.60111.5I127 V128 L143K124-I127 PolarHBondContact O-N 2.93Å; K124-V128 WeakPolarHBondContact O-CG2 3.15Å; K124-V128 PolarHBondContact O-N 2.84Å; K124-L143 HydrophobicContact CB-CD1 4.19Å
125E82.4Confident79.4Confident100 Ų10059.4 Ų59.447%0.46734%0.338SS..Hα-helixtrans-65.9-40.1178.4-60.275.1-159.200111.6S123 I127 V128 Q129S123-E125 WeakPolarHBondContact CB-OE2 3.45Å; S123-E125 PolarHBondContact O-N 3.35Å; S123-E125 PolarHBondContact OG-N 2.92Å; S123-E125 PolarHBondContact OG-OE2 3.37Å; E125-I127 VanDerWaalsContact C-N 3.33Å; E125-I127 PolarHBondContact O-N 3.47Å; E125-V128 PolarHBondContact O-N 2.82Å; E125-Q129 WeakPolarHBondContact O-CG 3.42Å; E125-Q129 PolarHBondContact O-N 3.3Å
126E82.8Confident79.1Confident75 Ų7560.8 Ų60.835%0.3535%0.345SS..Hα-helixtrans-64.7-38.4175.6-68.3-174.5172.800111.9C122 S123 V128 Q129 F130C122-E126 VanDerWaalsContact CA-OE2 3.29Å; C122-E126 WeakPolarHBondContact CA-OE2 3.16Å; C122-E126 PolarHBondContact SG-OE2 3.08Å; S123-E126 PolarHBondContact O-N 2.84Å; S123-E126 VanDerWaalsContact O-N 3.14Å; S123-E126 PolarHBondContact OG-N 2.75Å; E126-V128 VanDerWaalsContact C-N 3.34Å; E126-Q129 PolarHBondContact O-N 2.97Å; E126-F130 WeakPolarHBondContact O-CB 3.2Å; E126-F130 PolarHBondContact O-N 2.95Å
127I81.9Confident78.6Confident0 Ų058.9 Ų58.90%034%0.343CS..Hα-helixtrans-65.1-40.2175.3-61.7169.8000110.7L115 L118 S123 K124 E125 F130 F131 I141 L143 A155 V157L115-I127 HydrophobicContact CD1-CD1 4.43Å; L115-I127 HydrophobicContact CD1-CG1 4.36Å; L115-I127 HydrophobicContact CD1-CG2 3.71Å; L118-I127 HydrophobicContact CD1-CD1 3.94Å; L118-I127 HydrophobicContact CD1-CG1 4.48Å; L118-I127 HydrophobicContact CD2-CG1 4.36Å; S123-I127 PolarHBondContact O-N 3.4Å; K124-I127 PolarHBondContact O-N 2.93Å; E125-I127 VanDerWaalsContact C-N 3.33Å; E125-I127 PolarHBondContact O-N 3.47Å; I127-F130 PolarHBondContact O-N 3.19Å; I127-F131 HydrophobicContact CG2-CD2 3.98Å; I127-F131 HydrophobicContact CG2-CE2 4.19Å; I127-F131 WeakPolarHBondContact O-CD2 3.24Å; I127-F131 PolarHBondContact O-N 3.26Å; I127-F131 VanDerWaalsContact O-N 3.1Å; I127-I141 HydrophobicContact CB-CD1 4.37Å; I127-I141 HydrophobicContact CD1-CG2 4.01Å; I127-I141 HydrophobicContact CG2-CD1 4.1Å; I127-I141 HydrophobicContact CG2-CG2 4.41Å; I127-L143 HydrophobicContact CD1-CD1 4.25Å; I127-L143 HydrophobicContact CD1-CD2 3.94Å; I127-L143 HydrophobicContact CD1-CG 4.18Å; I127-A155 HydrophobicContact CD1-CB 3.92Å; I127-V157 HydrophobicContact CG2-CG2 3.7Å
128V82.1Confident77.6Confident75 Ų7563.5 Ų63.546%0.45537%0.369SS..Hα-helixtrans-64.6-41174.1173.60000111.2K124 E125 E126 F131 S132 I141K124-V128 WeakPolarHBondContact O-CG2 3.15Å; K124-V128 PolarHBondContact O-N 2.84Å; E125-V128 PolarHBondContact O-N 2.82Å; E126-V128 VanDerWaalsContact C-N 3.34Å; V128-F131 CarbonylContact O-C 3.49Å; V128-F131 VanDerWaalsContact O-C 3.26Å; V128-F131 PolarHBondContact O-N 2.93Å; V128-S132 PolarHBondContact O-N 3.29Å; V128-I141 HydrophobicContact CG2-CD1 3.46Å; V128-I141 VanDerWaalsContact CG2-CD1 3.46Å
129Q80.9Confident76.7Confident141 Ų14171 Ų7166%0.65941%0.41SS*.Hα-helixtrans-66.5-40.8176.8-76.6-176.6-10.200112.5E125 E126 F131 S132E125-Q129 WeakPolarHBondContact O-CG 3.42Å; E125-Q129 PolarHBondContact O-N 3.3Å; E126-Q129 PolarHBondContact O-N 2.97Å; Q129-F131 VanDerWaalsContact C-N 3.27Å; Q129-F131 PolarHBondContact O-N 3.42Å; Q129-S132 WeakPolarHBondContact O-CB 3.31Å; Q129-S132 PolarHBondContact O-N 3.11Å; Q129-S132 PolarHBondContact O-OG 3.21Å
130F80Confident76.2Confident23 Ų2370.3 Ų70.310%0.10141%0.405CS..Hα-helixtrans-60.1-39.8175.5177.1-102.6000111.9E126 I127 S132 K171 E174 I176 I181 I183E126-F130 WeakPolarHBondContact O-CB 3.2Å; E126-F130 PolarHBondContact O-N 2.95Å; I127-F130 PolarHBondContact O-N 3.19Å; F130-S132 VanDerWaalsContact C-N 3.3Å; F130-S132 PolarHBondContact O-N 2.88Å; F130-K171 PolarHBondContact O-NZ 3.29Å; F130-E174 HydrophobicContact CE2-CB 3.46Å; F130-E174 VanDerWaalsContact CE2-CB 3.46Å; F130-E174 HydrophobicContact CZ-CB 3.66Å; F130-I176 HydrophobicContact CB-CD1 3.7Å; F130-I176 HydrophobicContact CB-CG1 4.18Å; F130-I176 HydrophobicContact CD1-CD1 4.01Å; F130-I176 HydrophobicContact CD2-CD1 3.58Å; F130-I176 HydrophobicContact CD2-CG1 3.31Å; F130-I176 HydrophobicContact CE2-CD1 4.12Å; F130-I176 HydrophobicContact CE2-CG1 3.71Å; F130-I176 HydrophobicContact CG-CD1 3.48Å; F130-I176 VanDerWaalsContact CG-CD1 3.48Å; F130-I176 HydrophobicContact CG-CG1 3.81Å; F130-I181 HydrophobicContact CZ-CB 4.46Å; F130-I183 HydrophobicContact CE1-CD1 3.88Å; F130-I183 HydrophobicContact CZ-CD1 4.2Å
131F78.8Confident76.4Confident0 Ų065.5 Ų65.50%039%0.385CS..THydrogen-bonded Turntrans-92.723.6172.8-68.7-55.1000113.9L115 I127 V128 Q129 G133 L134 I136 V157 F159 A168 I183L115-F131 HydrophobicContact CD1-CE2 3.86Å; L115-F131 HydrophobicContact CD2-CE2 3.77Å; L115-F131 HydrophobicContact CD2-CZ 3.63Å; L115-F131 HydrophobicContact CG-CE2 4.35Å; I127-F131 HydrophobicContact CG2-CD2 3.98Å; I127-F131 HydrophobicContact CG2-CE2 4.19Å; I127-F131 WeakPolarHBondContact O-CD2 3.24Å; I127-F131 PolarHBondContact O-N 3.26Å; I127-F131 VanDerWaalsContact O-N 3.1Å; V128-F131 CarbonylContact O-C 3.49Å; V128-F131 VanDerWaalsContact O-C 3.26Å; V128-F131 PolarHBondContact O-N 2.93Å; Q129-F131 VanDerWaalsContact C-N 3.27Å; Q129-F131 PolarHBondContact O-N 3.42Å; F131-G133 PolarHBondContact O-N 2.63Å; F131-L134 HydrophobicContact CB-CB 4.39Å; F131-L134 HydrophobicContact CB-CD1 4.37Å; F131-L134 HydrophobicContact CD1-CD1 3.66Å; F131-L134 HydrophobicContact CE1-CD1 4.4Å; F131-L134 HydrophobicContact CG-CD1 4.39Å; F131-L134 WeakPolarHBondContact O-CB 3.42Å; F131-L134 PolarHBondContact O-N 3.38Å; F131-I136 HydrophobicContact CB-CD1 3.53Å; F131-I136 HydrophobicContact CB-CG1 4.47Å; F131-I136 HydrophobicContact CD2-CD1 4.13Å; F131-I136 HydrophobicContact CG-CD1 4.21Å; F131-V157 HydrophobicContact CE2-CG2 4.27Å; F131-F159 HydrophobicContact CB-CE1 4.35Å; F131-F159 HydrophobicContact CD1-CE1 4.4Å; F131-F159 AromaticContact CD1-CZ 3.96Å; F131-F159 HydrophobicContact CD1-CZ 3.96Å; F131-F159 HydrophobicContact CD2-CE1 4.5Å; F131-F159 AromaticContact CD2-CZ 3.97Å; F131-F159 HydrophobicContact CD2-CZ 3.97Å; F131-F159 HydrophobicContact CE1-CZ 4.04Å; F131-F159 HydrophobicContact CE2-CZ 4.04Å; F131-F159 HydrophobicContact CG-CE1 4.18Å; F131-F159 AromaticContact CG-CZ 3.91Å; F131-F159 HydrophobicContact CG-CZ 3.91Å; F131-F159 HydrophobicContact CZ-CZ 4.07Å; F131-A168 HydrophobicContact CD1-CB 4.17Å; F131-A168 HydrophobicContact CE1-CB 3.6Å; F131-A168 HydrophobicContact CZ-CB 4.25Å; F131-I183 HydrophobicContact CE1-CD1 3.98Å; F131-I183 HydrophobicContact CZ-CD1 3.94Å
132S73.9Confident76.7Confident82 Ų8264.6 Ų64.657%0.57337%0.367SS*.THydrogen-bonded Turntrans-54.3130.7173.654.30000110.6V128 Q129 F130V128-S132 PolarHBondContact O-N 3.29Å; Q129-S132 WeakPolarHBondContact O-CB 3.31Å; Q129-S132 PolarHBondContact O-N 3.11Å; Q129-S132 PolarHBondContact O-OG 3.21Å; F130-S132 VanDerWaalsContact C-N 3.3Å; F130-S132 PolarHBondContact O-N 2.88Å
133G71Confident76.8Confident85 Ų8566.7 Ų66.788%0.87638%0.377SS*.THydrogen-bonded Turntrans89.6-0.1-173.500000115.4F131F131-G133 PolarHBondContact O-N 2.63Å
134L79.1Confident76.5Confident29 Ų2966 Ų6615%0.15237%0.371CS..SBendtrans-111.8131.9170.7-61.9-177.2000109.7F131 I136 F159 I164 K167 A168F131-L134 HydrophobicContact CB-CB 4.39Å; F131-L134 HydrophobicContact CB-CD1 4.37Å; F131-L134 HydrophobicContact CD1-CD1 3.66Å; F131-L134 HydrophobicContact CE1-CD1 4.4Å; F131-L134 HydrophobicContact CG-CD1 4.39Å; F131-L134 WeakPolarHBondContact O-CB 3.42Å; F131-L134 PolarHBondContact O-N 3.38Å; L134-I136 PolarHBondContact O-N 3.01Å; L134-I136 VanDerWaalsContact O-N 3.15Å; L134-F159 HydrophobicContact CB-CD1 4.29Å; L134-F159 HydrophobicContact CB-CE1 3.88Å; L134-F159 HydrophobicContact CD1-CE1 4Å; L134-F159 HydrophobicContact CD1-CZ 4.37Å; L134-I164 HydrophobicContact CB-CG2 3.44Å; L134-I164 VanDerWaalsContact CB-CG2 3.44Å; L134-I164 HydrophobicContact CD1-CG2 4.29Å; L134-I164 HydrophobicContact CD2-CG2 3.73Å; L134-I164 HydrophobicContact CG-CG2 3.99Å; L134-K167 HydrophobicContact CD2-CB 3.8Å; L134-K167 HydrophobicContact CD2-CD 4.21Å; L134-A168 HydrophobicContact CD1-CB 3.81Å
135E74.8Confident76.2Confident138 Ų13864.3 Ų64.365%0.64537%0.371SS*.  trans-76.4103.9179.7-162.6-179.9173.700110.2A160 I164E135-A160 HydrophobicContact CB-CB 4.24Å; E135-A160 HydrophobicContact CG-CB 3.99Å; E135-A160 PolarHBondContact O-N 2.96Å; E135-I164 HydrophobicContact CB-CD1 3.62Å
136I78.3Confident75.5Confident30 Ų3062.9 Ų62.915%0.15437%0.367CS..EExtended strand (participates in β ladder)trans-95.1138.4175.7-63.1167.2000108.5F131 L134 I141 V157 Q158 F159F131-I136 HydrophobicContact CB-CD1 3.53Å; F131-I136 HydrophobicContact CB-CG1 4.47Å; F131-I136 HydrophobicContact CD2-CD1 4.13Å; F131-I136 HydrophobicContact CG-CD1 4.21Å; L134-I136 PolarHBondContact O-N 3.01Å; L134-I136 VanDerWaalsContact O-N 3.15Å; I136-I141 HydrophobicContact CG2-CD1 4.33Å; I136-I141 HydrophobicContact CG2-CG1 4.03Å; I136-V157 HydrophobicContact CD1-CG1 4.07Å; I136-V157 HydrophobicContact CG1-CG1 4.06Å; I136-V157 HydrophobicContact CG2-CG1 3.82Å; I136-Q158 WeakPolarHBondContact CG2-O 3.11Å; I136-F159 HydrophobicContact CD1-CE1 4.03Å; I136-F159 HydrophobicContact CG1-CD1 3.63Å; I136-F159 HydrophobicContact CG1-CE1 3.43Å; I136-F159 VanDerWaalsContact CG1-CE1 3.43Å; I136-F159 HydrophobicContact CG1-CZ 4.37Å
137V74.8Confident74.3Confident45 Ų4569.2 Ų69.227%0.27339%0.393SS..EExtended strand (participates in β ladder)trans-63.1130.9175.5179.60000109.2N139 G140 Q158 A160V137-N139 PolarHBondContact O-N 2.93Å; V137-G140 WeakPolarHBondContact O-CA 3.35Å; V137-G140 PolarHBondContact O-N 2.92Å; V137-Q158 HydrophobicContact CB-CB 4.44Å; V137-Q158 HydrophobicContact CB-CG 4.33Å; V137-Q158 HydrophobicContact CG2-CB 4.5Å; V137-Q158 HydrophobicContact CG2-CG 3.94Å; V137-Q158 PolarHBondContact N-O 2.82Å; V137-A160 HydrophobicContact CG2-CB 4.27Å
138P59.2Low73.5Confident117 Ų11775.6 Ų75.676%0.7642%0.423SS*.EExtended strand (participates in β ladder)trans-59.8127.4174.122.6-31000109.8G140P138-G140 VanDerWaalsContact C-N 3.25Å; P138-G140 PolarHBondContact O-N 2.83Å
139N63.1Low72.7Confident162 Ų16274.5 Ų74.587%0.86643%0.427SS*.EExtended strand (participates in β ladder)trans67.413.2-168.9-53.8-36.1000116V137 I141V137-N139 PolarHBondContact O-N 2.93Å; N139-I141 PolarHBondContact O-N 2.86Å
140G69.1Low72.2Confident3 Ų374.9 Ų74.93%0.03142%0.423CS..EExtended strand (participates in β ladder)trans-76.5-3174.100000114.6V137 P138 V157 Q158V137-G140 WeakPolarHBondContact O-CA 3.35Å; V137-G140 PolarHBondContact O-N 2.92Å; P138-G140 VanDerWaalsContact C-N 3.25Å; P138-G140 PolarHBondContact O-N 2.83Å; G140-V157 CarbonylContact O-C 3.58Å; G140-V157 WeakPolarHBondContact O-CA 3.43Å; G140-Q158 PolarHBondContact O-N 3.01Å
141I80.9Confident71.9Confident33 Ų3375.6 Ų75.617%0.16943%0.431CS..EExtended strand (participates in β ladder)trans-98116.3-179.3-53.6176.1000109.1I127 V128 I136 N139 L143 F156 V157I127-I141 HydrophobicContact CB-CD1 4.37Å; I127-I141 HydrophobicContact CD1-CG2 4.01Å; I127-I141 HydrophobicContact CG2-CD1 4.1Å; I127-I141 HydrophobicContact CG2-CG2 4.41Å; V128-I141 HydrophobicContact CG2-CD1 3.46Å; V128-I141 VanDerWaalsContact CG2-CD1 3.46Å; I136-I141 HydrophobicContact CG2-CD1 4.33Å; I136-I141 HydrophobicContact CG2-CG1 4.03Å; N139-I141 PolarHBondContact O-N 2.86Å; I141-L143 HydrophobicContact CG2-CD1 3.64Å; I141-F156 CarbonylContact C-O 3.48Å; I141-F156 VanDerWaalsContact CA-O 3.31Å; I141-F156 WeakPolarHBondContact CA-O 3.34Å; I141-V157 HydrophobicContact CG1-CG1 4.28Å; I141-V157 HydrophobicContact CG1-CG2 4.34Å; I141-V157 HydrophobicContact CG2-CG2 4.38Å
142T78.1Confident71.6Confident49 Ų4978.6 Ų78.630%0.30145%0.449SS..EExtended strand (participates in β ladder)trans-112.4116.7175.7-54.90000109.1P144 A155 F156 V191T142-P144 VanDerWaalsContact O-CD 3.28Å; T142-P144 WeakPolarHBondContact O-CD 3.42Å; T142-A155 CarbonylContact O-C 3.56Å; T142-A155 WeakPolarHBondContact O-CA 3.13Å; T142-F156 PolarHBondContact N-O 3.15Å; T142-F156 PolarHBondContact O-N 2.66Å; T142-V191 HydrophobicContact CG2-CG1 4.19Å
143L80.8Confident71.8Confident52 Ų5275 Ų7527%0.27243%0.426SS..  trans-102.899.2171.7-66.994.6000108.4K124 I127 I141 V145 A155K124-L143 HydrophobicContact CB-CD1 4.19Å; I127-L143 HydrophobicContact CD1-CD1 4.25Å; I127-L143 HydrophobicContact CD1-CD2 3.94Å; I127-L143 HydrophobicContact CD1-CG 4.18Å; I141-L143 HydrophobicContact CG2-CD1 3.64Å; L143-V145 PolarHBondContact O-N 2.69Å; L143-A155 HydrophobicContact CG-CB 4.05Å
144P72.8Confident72.4Confident26 Ų2673 Ų7317%0.16939%0.393CS..PPolyproline II helixtrans-60.5120.5171.425-34.4000109.9T142 T152 E154 F156T142-P144 VanDerWaalsContact O-CD 3.28Å; T142-P144 WeakPolarHBondContact O-CD 3.42Å; P144-T152 WeakPolarHBondContact O-CG2 3.37Å; P144-T152 PolarHBondContact O-N 3Å; P144-T152 PolarHBondContact O-OG1 2.85Å; P144-E154 WeakPolarHBondContact CD-O 3.49Å; P144-E154 HydrophobicContact CG-CB 4.32Å; P144-F156 HydrophobicContact CG-CD2 4.28Å; P144-F156 HydrophobicContact CG-CE2 3.98Å
145V74.9Confident72.6Confident86 Ų8671.6 Ų71.652%0.52139%0.386SS..BIsolated β-bridgetrans-98.2144.4169.4-64.60000109L143 R150L143-V145 PolarHBondContact O-N 2.69Å; V145-R150 CarbonylContact C-O 3.59Å; V145-R150 WeakPolarHBondContact CA-O 3.18Å
146D67.5Low73.1Confident70 Ų7065.1 Ų65.137%0.37436%0.355SS..PPolyproline II helixtrans-61.7166.5173-17013000110.5Q148 G149 R150 T152D146-Q148 PolarHBondContact O-N 2.83Å; D146-G149 WeakPolarHBondContact O-CA 3.13Å; D146-G149 PolarHBondContact O-N 2.73Å; D146-R150 HydrophobicContact CB-CB 4.47Å; D146-R150 PolarHBondContact N-O 2.75Å; D146-R150 IonicContact OD2-NH2 2.74Å; D146-R150 PolarHBondContact OD2-NH2 2.82Å; D146-T152 HydrophobicContact CB-CG2 4.18Å
147F57.7Low73.3Confident207 Ų20763.7 Ų63.791%0.90835%0.348SS*.THydrogen-bonded Turntrans-56.6-21.7178.1-175.9-99.5000113.1
148Q65.5Low73.7Confident134 Ų13463.7 Ų63.763%0.62635%0.345SS*.THydrogen-bonded Turntrans-89.97.6174.7-64.3-179-29.700113.9D146 R150D146-Q148 PolarHBondContact O-N 2.83Å; Q148-R150 VanDerWaalsContact C-N 3.28Å; Q148-R150 HydrophobicContact CB-CG 4.44Å; Q148-R150 PolarHBondContact O-N 2.8Å
149G65.4Low74.8Confident53 Ų5358.3 Ų58.355%0.54631%0.31SS..SBendtrans74.711.6-17900000114.8D146D146-G149 WeakPolarHBondContact O-CA 3.13Å; D146-G149 PolarHBondContact O-N 2.73Å
150R71.5Confident75.6Confident148 Ų14853.2 Ų53.256%0.55829%0.29SS*.  trans-86135.9179.6-62.5-177.8-61.1-178.63.6110.7V145 D146 Q148 T152V145-R150 CarbonylContact C-O 3.59Å; V145-R150 WeakPolarHBondContact CA-O 3.18Å; D146-R150 HydrophobicContact CB-CB 4.47Å; D146-R150 PolarHBondContact N-O 2.75Å; D146-R150 IonicContact OD2-NH2 2.74Å; D146-R150 PolarHBondContact OD2-NH2 2.82Å; Q148-R150 VanDerWaalsContact C-N 3.28Å; Q148-R150 HydrophobicContact CB-CG 4.44Å; Q148-R150 PolarHBondContact O-N 2.8Å; R150-T152 PolarHBondContact O-N 3.48Å
151S73.3Confident76Confident39 Ų3955.3 Ų55.327%0.27331%0.305SS..BIsolated β-bridgetrans-59.2123.3173.5-49.70000110.1F120 G153F120-S151 VanDerWaalsContact CD1-O 3.29Å; F120-S151 WeakPolarHBondContact CD1-O 3.44Å; F120-S151 WeakPolarHBondContact O-CB 3.5Å; F120-S151 PolarHBondContact O-OG 3.25Å; F120-S151 VanDerWaalsContact O-OG 3.08Å; S151-G153 PolarHBondContact O-N 3.47Å
152T72.8Confident75.8Confident62 Ų6257.2 Ų57.238%0.3831%0.313SS..  trans-74.3-3.8-179.255.20000113.3P144 D146 R150 E154P144-T152 WeakPolarHBondContact O-CG2 3.37Å; P144-T152 PolarHBondContact O-N 3Å; P144-T152 PolarHBondContact O-OG1 2.85Å; D146-T152 HydrophobicContact CB-CG2 4.18Å; R150-T152 PolarHBondContact O-N 3.48Å; T152-E154 PolarHBondContact O-N 3.01Å
153G76.9Confident75.8Confident8 Ų861.2 Ų61.28%0.08233%0.328CS..SBendtrans72.510.4-172.100000112.8R116 G117 L118 S151R116-G153 CarbonylContact C-O 3.5Å; G117-G153 PolarHBondContact N-O 3.4Å; L118-G153 PolarHBondContact N-O 3.23Å; S151-G153 PolarHBondContact O-N 3.47Å
154E83.3Confident75.8Confident41 Ų4159.7 Ų59.719%0.19232%0.32CS..EExtended strand (participates in β ladder)trans-113142.6173.5-52.3-167.1148.800109.4R114 L115 P144 T152R114-E154 IonicContact CZ-OE1 3.29Å; R114-E154 IonicContact CZ-OE2 2.7Å; R114-E154 IonicContact NH1-OE1 2.82Å; R114-E154 PolarHBondContact NH1-OE1 3.4Å; R114-E154 IonicContact NH1-OE2 3.86Å; R114-E154 PolarHBondContact NH1-OE2 2.79Å; R114-E154 IonicContact NH2-OE1 3.17Å; R114-E154 PolarHBondContact NH2-OE1 3.1Å; R114-E154 IonicContact NH2-OE2 3.04Å; L115-E154 CarbonylContact O-C 3.42Å; L115-E154 VanDerWaalsContact O-CA 3.28Å; L115-E154 WeakPolarHBondContact O-CA 3.23Å; P144-E154 WeakPolarHBondContact CD-O 3.49Å; P144-E154 HydrophobicContact CG-CB 4.32Å; T152-E154 PolarHBondContact O-N 3.01Å
155A83.8Confident76Confident0 Ų058.9 Ų58.90%032%0.315CS..EExtended strand (participates in β ladder)trans-142.7156170.900000110.4R114 L115 L118 I127 T142 L143R114-A155 CarbonylContact C-O 3.55Å; R114-A155 WeakPolarHBondContact CA-O 3.36Å; L115-A155 HydrophobicContact CB-CB 4.3Å; L115-A155 HydrophobicContact CD1-CB 4.32Å; L115-A155 PolarHBondContact N-O 2.8Å; L115-A155 PolarHBondContact O-N 2.86Å; L118-A155 HydrophobicContact CD1-CB 3.33Å; I127-A155 HydrophobicContact CD1-CB 3.92Å; T142-A155 CarbonylContact O-C 3.56Å; T142-A155 WeakPolarHBondContact O-CA 3.13Å; L143-A155 HydrophobicContact CG-CB 4.05Å
156F84.7Confident76.2Confident2 Ų259.7 Ų59.71%0.00931%0.313CS..EExtended strand (participates in β ladder)trans-117.3133.8173-59.7-86.9000108.5V113 R114 I141 T142 P144 V191 H194V113-F156 CarbonylContact O-C 3.5Å; V113-F156 WeakPolarHBondContact O-CA 3.3Å; R114-F156 HydrophobicContact CB-CD1 3.86Å; R114-F156 HydrophobicContact CB-CE1 3.88Å; R114-F156 HydrophobicContact CG-CD1 4.19Å; R114-F156 HydrophobicContact CG-CE1 3.85Å; R114-F156 HydrophobicContact CG-CZ 4.49Å; I141-F156 CarbonylContact C-O 3.48Å; I141-F156 VanDerWaalsContact CA-O 3.31Å; I141-F156 WeakPolarHBondContact CA-O 3.34Å; T142-F156 PolarHBondContact N-O 3.15Å; T142-F156 PolarHBondContact O-N 2.66Å; P144-F156 HydrophobicContact CG-CD2 4.28Å; P144-F156 HydrophobicContact CG-CE2 3.98Å; F156-V191 HydrophobicContact CB-CG1 4.29Å; F156-V191 HydrophobicContact CB-CG2 3.73Å; F156-V191 HydrophobicContact CD1-CG2 3.76Å; F156-V191 HydrophobicContact CD2-CG1 4.46Å; F156-V191 HydrophobicContact CD2-CG2 4.48Å; F156-V191 HydrophobicContact CE1-CG2 4.46Å; F156-V191 HydrophobicContact CG-CG1 4.4Å; F156-V191 HydrophobicContact CG-CG2 3.75Å; F156-H194 HydrophobicContact CE2-CB 4.26Å; F156-H194 HydrophobicContact CZ-CB 4.48Å
157V84.4Confident76.9Confident0 Ų061.8 Ų61.80%032%0.319CS..EExtended strand (participates in β ladder)trans-124.1126.2-179.4-1780000108.4F112 V113 L115 I127 F131 I136 G140 I141 F159F112-V157 WeakPolarHBondContact CA-O 3.22Å; V113-V157 PolarHBondContact N-O 2.91Å; V113-V157 PolarHBondContact O-N 3.45Å; L115-V157 HydrophobicContact CD1-CG2 3.79Å; L115-V157 HydrophobicContact CG-CG2 4.2Å; I127-V157 HydrophobicContact CG2-CG2 3.7Å; F131-V157 HydrophobicContact CE2-CG2 4.27Å; I136-V157 HydrophobicContact CD1-CG1 4.07Å; I136-V157 HydrophobicContact CG1-CG1 4.06Å; I136-V157 HydrophobicContact CG2-CG1 3.82Å; G140-V157 CarbonylContact O-C 3.58Å; G140-V157 WeakPolarHBondContact O-CA 3.43Å; I141-V157 HydrophobicContact CG1-CG1 4.28Å; I141-V157 HydrophobicContact CG1-CG2 4.34Å; I141-V157 HydrophobicContact CG2-CG2 4.38Å; V157-F159 HydrophobicContact CB-CE2 4.26Å; V157-F159 HydrophobicContact CG1-CD2 4.32Å; V157-F159 HydrophobicContact CG1-CE1 4.21Å; V157-F159 HydrophobicContact CG1-CE2 3.89Å; V157-F159 HydrophobicContact CG1-CZ 3.83Å
158Q82.4Confident77.9Confident46 Ų4652 Ų5222%0.21528%0.276CS..EExtended strand (participates in β ladder)trans-94.8116.8171.1-171.1177.315.400110F112 I136 V137 G140F112-Q158 HydrophobicContact CD1-CB 4Å; F112-Q158 HydrophobicContact CD1-CG 4.34Å; F112-Q158 HydrophobicContact CD2-CG 4.07Å; F112-Q158 HydrophobicContact CE1-CB 3.57Å; F112-Q158 HydrophobicContact CE1-CG 3.87Å; F112-Q158 HydrophobicContact CE2-CB 4.2Å; F112-Q158 VanDerWaalsContact CE2-CD 3.48Å; F112-Q158 HydrophobicContact CE2-CG 3.54Å; F112-Q158 VanDerWaalsContact CE2-NE2 3.34Å; F112-Q158 HydrophobicContact CG-CB 4.49Å; F112-Q158 HydrophobicContact CG-CG 4.45Å; F112-Q158 HydrophobicContact CZ-CB 3.68Å; F112-Q158 HydrophobicContact CZ-CG 3.43Å; F112-Q158 VanDerWaalsContact CZ-CG 3.43Å; I136-Q158 WeakPolarHBondContact CG2-O 3.11Å; V137-Q158 HydrophobicContact CB-CB 4.44Å; V137-Q158 HydrophobicContact CB-CG 4.33Å; V137-Q158 HydrophobicContact CG2-CB 4.5Å; V137-Q158 HydrophobicContact CG2-CG 3.94Å; V137-Q158 PolarHBondContact N-O 2.82Å; G140-Q158 PolarHBondContact O-N 3.01Å
159F82.3Confident78.6Confident4 Ų448.3 Ų48.32%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-87.8152.7171-66.7-79.1000111G111 V113 F131 L134 I136 V157 S161 I164 A165 A168G111-F159 WeakPolarHBondContact O-CB 3.36Å; G111-F159 PolarHBondContact O-N 2.56Å; V113-F159 HydrophobicContact CB-CD2 4.19Å; V113-F159 HydrophobicContact CB-CE2 3.73Å; V113-F159 HydrophobicContact CG1-CE2 4.36Å; V113-F159 HydrophobicContact CG2-CD2 3.71Å; V113-F159 HydrophobicContact CG2-CE2 3.54Å; F131-F159 HydrophobicContact CB-CE1 4.35Å; F131-F159 HydrophobicContact CD1-CE1 4.4Å; F131-F159 AromaticContact CD1-CZ 3.96Å; F131-F159 HydrophobicContact CD1-CZ 3.96Å; F131-F159 HydrophobicContact CD2-CE1 4.5Å; F131-F159 AromaticContact CD2-CZ 3.97Å; F131-F159 HydrophobicContact CD2-CZ 3.97Å; F131-F159 HydrophobicContact CE1-CZ 4.04Å; F131-F159 HydrophobicContact CE2-CZ 4.04Å; F131-F159 HydrophobicContact CG-CE1 4.18Å; F131-F159 AromaticContact CG-CZ 3.91Å; F131-F159 HydrophobicContact CG-CZ 3.91Å; F131-F159 HydrophobicContact CZ-CZ 4.07Å; L134-F159 HydrophobicContact CB-CD1 4.29Å; L134-F159 HydrophobicContact CB-CE1 3.88Å; L134-F159 HydrophobicContact CD1-CE1 4Å; L134-F159 HydrophobicContact CD1-CZ 4.37Å; I136-F159 HydrophobicContact CD1-CE1 4.03Å; I136-F159 HydrophobicContact CG1-CD1 3.63Å; I136-F159 HydrophobicContact CG1-CE1 3.43Å; I136-F159 VanDerWaalsContact CG1-CE1 3.43Å; I136-F159 HydrophobicContact CG1-CZ 4.37Å; V157-F159 HydrophobicContact CB-CE2 4.26Å; V157-F159 HydrophobicContact CG1-CD2 4.32Å; V157-F159 HydrophobicContact CG1-CE1 4.21Å; V157-F159 HydrophobicContact CG1-CE2 3.89Å; V157-F159 HydrophobicContact CG1-CZ 3.83Å; F159-S161 PolarHBondContact O-N 3.14Å; F159-I164 HydrophobicContact CB-CB 4.18Å; F159-I164 HydrophobicContact CB-CG2 4.14Å; F159-I164 HydrophobicContact CD1-CB 4.34Å; F159-I164 HydrophobicContact CD1-CG2 3.43Å; F159-I164 VanDerWaalsContact CD1-CG2 3.43Å; F159-I164 HydrophobicContact CE1-CG2 4.08Å; F159-I164 HydrophobicContact CG-CB 4.46Å; F159-I164 HydrophobicContact CG-CG2 4Å; F159-A165 HydrophobicContact CD2-CB 3.98Å; F159-A168 HydrophobicContact CE1-CB 4.38Å; F159-A168 HydrophobicContact CE2-CB 3.71Å; F159-A168 HydrophobicContact CZ-CB 3.59Å
160A79.1Confident79.2Confident54 Ų5454.3 Ų54.345%0.44627%0.272SS..SBendtrans-68.5-23.8179.300000112.8E135 V137E135-A160 HydrophobicContact CB-CB 4.24Å; E135-A160 HydrophobicContact CG-CB 3.99Å; E135-A160 PolarHBondContact O-N 2.96Å; V137-A160 HydrophobicContact CG2-CB 4.27Å
161S77.3Confident79.2Confident48 Ų4850 Ų5034%0.33626%0.257SS..SBendtrans-142.9148.5179.3171.80000111.1F159 E163 I164 A165F159-S161 PolarHBondContact O-N 3.14Å; S161-E163 VanDerWaalsContact C-N 3.28Å; S161-E163 PolarHBondContact O-N 3.22Å; S161-E163 PolarHBondContact OG-N 3.22Å; S161-I164 WeakPolarHBondContact O-CB 3.17Å; S161-I164 PolarHBondContact O-N 3.01Å; S161-I164 VanDerWaalsContact O-N 3.17Å; S161-A165 PolarHBondContact O-N 2.71Å
162Q77.4Confident79.5Confident73 Ų7351.1 Ų51.134%0.34126%0.258SS..Hα-helixtrans-60-36.5174.7-178.8-173-1900112.2A108 I164 A165 E166A108-Q162 PolarHBondContact O-NE2 3.3Å; A108-Q162 PolarHBondContact O-OE1 3.04Å; Q162-I164 PolarHBondContact O-N 2.94Å; Q162-A165 WeakPolarHBondContact O-CA 3.44Å; Q162-A165 WeakPolarHBondContact O-CB 3.4Å; Q162-A165 PolarHBondContact O-N 3.47Å; Q162-E166 PolarHBondContact NE2-OE1 2.94Å; Q162-E166 PolarHBondContact O-N 3.28Å
163E78.1Confident79.7Confident132 Ų13254.5 Ų54.562%0.61727%0.267SS*.Hα-helixtrans-60.3-31.5178.3-62.4-175.7179.600112S161 K167S161-E163 VanDerWaalsContact C-N 3.28Å; S161-E163 PolarHBondContact O-N 3.22Å; S161-E163 PolarHBondContact OG-N 3.22Å; E163-K167 WeakPolarHBondContact O-CG 3.49Å; E163-K167 PolarHBondContact O-N 2.69Å; E163-K167 VanDerWaalsContact O-N 3.11Å
164I79.8Confident79.7Confident21 Ų2157.9 Ų57.911%0.10828%0.281CS..Hα-helixtrans-75.1-38.9178.4-56.3177.9000109.7L134 E135 F159 S161 Q162 E166 K167 A168L134-I164 HydrophobicContact CB-CG2 3.44Å; L134-I164 VanDerWaalsContact CB-CG2 3.44Å; L134-I164 HydrophobicContact CD1-CG2 4.29Å; L134-I164 HydrophobicContact CD2-CG2 3.73Å; L134-I164 HydrophobicContact CG-CG2 3.99Å; E135-I164 HydrophobicContact CB-CD1 3.62Å; F159-I164 HydrophobicContact CB-CB 4.18Å; F159-I164 HydrophobicContact CB-CG2 4.14Å; F159-I164 HydrophobicContact CD1-CB 4.34Å; F159-I164 HydrophobicContact CD1-CG2 3.43Å; F159-I164 VanDerWaalsContact CD1-CG2 3.43Å; F159-I164 HydrophobicContact CE1-CG2 4.08Å; F159-I164 HydrophobicContact CG-CB 4.46Å; F159-I164 HydrophobicContact CG-CG2 4Å; S161-I164 WeakPolarHBondContact O-CB 3.17Å; S161-I164 PolarHBondContact O-N 3.01Å; S161-I164 VanDerWaalsContact O-N 3.17Å; Q162-I164 PolarHBondContact O-N 2.94Å; I164-E166 VanDerWaalsContact C-N 3.32Å; I164-E166 PolarHBondContact O-N 3.22Å; I164-K167 WeakPolarHBondContact O-CB 3.42Å; I164-K167 PolarHBondContact O-N 3.35Å; I164-A168 PolarHBondContact O-N 2.88Å
165A78.3Confident79.3Confident8 Ų865.4 Ų65.47%0.06631%0.307CS..Hα-helixtrans-61.5-38.9171.800000111.9V113 F159 S161 Q162 A168 L169V113-A165 HydrophobicContact CG2-CB 3.72Å; F159-A165 HydrophobicContact CD2-CB 3.98Å; S161-A165 PolarHBondContact O-N 2.71Å; Q162-A165 WeakPolarHBondContact O-CA 3.44Å; Q162-A165 WeakPolarHBondContact O-CB 3.4Å; Q162-A165 PolarHBondContact O-N 3.47Å; A165-A168 WeakPolarHBondContact O-CB 3.32Å; A165-A168 PolarHBondContact O-N 3.28Å; A165-L169 WeakPolarHBondContact O-CG 3.43Å; A165-L169 PolarHBondContact O-N 3.26Å
166E79.9Confident79.1Confident104 Ų10466.2 Ų66.249%0.48631%0.311SS..Hα-helixtrans-66.2-37.4174.7-69.5-179.6-174.200112.7Q162 I164 A168 L169 K170Q162-E166 PolarHBondContact NE2-OE1 2.94Å; Q162-E166 PolarHBondContact O-N 3.28Å; I164-E166 VanDerWaalsContact C-N 3.32Å; I164-E166 PolarHBondContact O-N 3.22Å; E166-A168 VanDerWaalsContact C-N 3.34Å; E166-L169 PolarHBondContact O-N 3.49Å; E166-K170 PolarHBondContact O-N 3.35Å
167K80.6Confident78.7Confident114 Ų11469.6 Ų69.650%0.49635%0.347SS..Hα-helixtrans-65.6-37.5170.9-71.6171.6-176.3171.40111.6L134 E163 I164 K170L134-K167 HydrophobicContact CD2-CB 3.8Å; L134-K167 HydrophobicContact CD2-CD 4.21Å; E163-K167 WeakPolarHBondContact O-CG 3.49Å; E163-K167 PolarHBondContact O-N 2.69Å; E163-K167 VanDerWaalsContact O-N 3.11Å; I164-K167 WeakPolarHBondContact O-CB 3.42Å; I164-K167 PolarHBondContact O-N 3.35Å; K167-K170 WeakPolarHBondContact O-CB 3.08Å; K167-K170 PolarHBondContact O-N 3.27Å
168A79.4Confident78.2Confident0 Ų077 Ų770%038%0.381CS..Hα-helixtrans-63.7-39.4174.700000111.9F131 L134 F159 I164 A165 E166 K170 K171 I183F131-A168 HydrophobicContact CD1-CB 4.17Å; F131-A168 HydrophobicContact CE1-CB 3.6Å; F131-A168 HydrophobicContact CZ-CB 4.25Å; L134-A168 HydrophobicContact CD1-CB 3.81Å; F159-A168 HydrophobicContact CE1-CB 4.38Å; F159-A168 HydrophobicContact CE2-CB 3.71Å; F159-A168 HydrophobicContact CZ-CB 3.59Å; I164-A168 PolarHBondContact O-N 2.88Å; A165-A168 WeakPolarHBondContact O-CB 3.32Å; A165-A168 PolarHBondContact O-N 3.28Å; E166-A168 VanDerWaalsContact C-N 3.34Å; A168-K170 PolarHBondContact O-N 2.78Å; A168-K171 WeakPolarHBondContact O-CB 3.02Å; A168-K171 PolarHBondContact O-N 3.42Å; A168-I183 WeakPolarHBondContact O-CD1 3.23Å
169L79.3Confident78.2Confident58 Ų5878.9 Ų78.930%0.30439%0.386SS..Hα-helixtrans-62.2-30.1175.9-70.3168.6000112.8A165 E166 K171 H172 I183 K185A165-L169 WeakPolarHBondContact O-CG 3.43Å; A165-L169 PolarHBondContact O-N 3.26Å; E166-L169 PolarHBondContact O-N 3.49Å; L169-K171 PolarHBondContact O-N 2.99Å; L169-H172 WeakPolarHBondContact O-CB 3.49Å; L169-H172 PolarHBondContact O-N 3.03Å; L169-H172 VanDerWaalsContact O-N 3.15Å; L169-I183 HydrophobicContact CD2-CG2 4.02Å; L169-K185 HydrophobicContact CD1-CB 4.3Å; L169-K185 HydrophobicContact CD2-CB 4.47Å
170K78.6Confident78.2Confident179 Ų17985.5 Ų85.578%0.77841%0.412SS*.Hα-helixtrans-66.7-23.2174.8-67.4177.7-177.4176.70112.9E166 K167 A168 H172E166-K170 PolarHBondContact O-N 3.35Å; K167-K170 WeakPolarHBondContact O-CB 3.08Å; K167-K170 PolarHBondContact O-N 3.27Å; A168-K170 PolarHBondContact O-N 2.78Å; K170-H172 PolarHBondContact O-N 2.79Å
171K71.9Confident78.6Confident56 Ų5682.9 Ų82.924%0.24339%0.391CS..THydrogen-bonded Turntrans-85.712.7174.4-63.9-167.8166.5-168.80113.4F130 A168 L169 K173 E174 I183F130-K171 PolarHBondContact O-NZ 3.29Å; A168-K171 WeakPolarHBondContact O-CB 3.02Å; A168-K171 PolarHBondContact O-N 3.42Å; L169-K171 PolarHBondContact O-N 2.99Å; K171-K173 PolarHBondContact O-N 3.37Å; K171-E174 HydrophobicContact CB-CG 4.23Å; K171-E174 VanDerWaalsContact CG-OE1 3.31Å; K171-E174 WeakPolarHBondContact CG-OE1 3.43Å; K171-E174 WeakPolarHBondContact O-CB 3.27Å; K171-E174 WeakPolarHBondContact O-CG 3.28Å; K171-E174 PolarHBondContact O-N 3.38Å; K171-I183 HydrophobicContact CB-CD1 4.15Å; K171-I183 WeakPolarHBondContact O-CD1 3.34Å
172H79.3Confident78.8Confident64 Ų6482.9 Ų82.930%0.29639%0.386SS..THydrogen-bonded Turntrans-58.9134177.917893.3000111L169 K170 I183L169-H172 WeakPolarHBondContact O-CB 3.49Å; L169-H172 PolarHBondContact O-N 3.03Å; L169-H172 VanDerWaalsContact O-N 3.15Å; K170-H172 PolarHBondContact O-N 2.79Å; H172-I183 HydrophobicContact CB-CB 4.26Å; H172-I183 PolarHBondContact ND1-N 3.49Å; H172-I183 PolarHBondContact ND1-O 3.46Å
173K77.4Confident79.1Confident132 Ų13279.6 Ų79.657%0.57437%0.37SS*.THydrogen-bonded Turntrans73.112.2-174.1-65165.8179.5-175.20116.2K171 I181K171-K173 PolarHBondContact O-N 3.37Å; K173-I181 VanDerWaalsContact CA-O 3.23Å; K173-I181 WeakPolarHBondContact CA-O 3.3Å; K173-I181 PolarHBondContact N-O 3.23Å
174E77.6Confident79.3Confident80 Ų8076.2 Ų76.237%0.37435%0.353SS..  trans-64.9153.3164-73.1-175.7-171.900110.8F130 K171 I181F130-E174 HydrophobicContact CE2-CB 3.46Å; F130-E174 VanDerWaalsContact CE2-CB 3.46Å; F130-E174 HydrophobicContact CZ-CB 3.66Å; K171-E174 HydrophobicContact CB-CG 4.23Å; K171-E174 VanDerWaalsContact CG-OE1 3.31Å; K171-E174 WeakPolarHBondContact CG-OE1 3.43Å; K171-E174 WeakPolarHBondContact O-CB 3.27Å; K171-E174 WeakPolarHBondContact O-CG 3.28Å; K171-E174 PolarHBondContact O-N 3.38Å; E174-I181 PolarHBondContact O-N 3.31Å
175R74.5Confident79Confident199 Ų19980.8 Ų80.875%0.75137%0.373SS*.EExtended strand (participates in β ladder)trans-98.6128.3-174.3-64.7-178.4-179.7-170.6-0.2110.7R179R175-R179 CarbonylContact C-O 3.53Å; R175-R179 VanDerWaalsContact CA-O 3.23Å; R175-R179 WeakPolarHBondContact CA-O 3.31Å
176I79.1Confident78.4Confident16 Ų1680.8 Ų80.88%0.08237%0.372CS..EExtended strand (participates in β ladder)trans-104.3112.5164.5-61.8-179.5000106.9L118 P119 F130 H178 R179 I181L118-I176 HydrophobicContact CD2-CD1 3.87Å; P119-I176 HydrophobicContact CG-CG2 4.19Å; F130-I176 HydrophobicContact CB-CD1 3.7Å; F130-I176 HydrophobicContact CB-CG1 4.18Å; F130-I176 HydrophobicContact CD1-CD1 4.01Å; F130-I176 HydrophobicContact CD2-CD1 3.58Å; F130-I176 HydrophobicContact CD2-CG1 3.31Å; F130-I176 HydrophobicContact CE2-CD1 4.12Å; F130-I176 HydrophobicContact CE2-CG1 3.71Å; F130-I176 HydrophobicContact CG-CD1 3.48Å; F130-I176 VanDerWaalsContact CG-CD1 3.48Å; F130-I176 HydrophobicContact CG-CG1 3.81Å; I176-H178 PolarHBondContact O-N 3.33Å; I176-R179 PolarHBondContact N-O 2.82Å; I176-R179 PolarHBondContact O-N 3.45Å; I176-I181 HydrophobicContact CB-CD1 4.06Å; I176-I181 HydrophobicContact CB-CG1 3.84Å; I176-I181 HydrophobicContact CD1-CD1 4.29Å; I176-I181 HydrophobicContact CD1-CG1 3.65Å; I176-I181 HydrophobicContact CG1-CD1 4.27Å; I176-I181 HydrophobicContact CG1-CG1 3.54Å
177G75.6Confident77.7Confident73 Ų7376.2 Ų76.275%0.75335%0.351SS*.THydrogen-bonded Turntrans60.9-118.2-172.300000111.8
178H75.4Confident76.5Confident155 Ų15578 Ų7872%0.71836%0.355SS*.THydrogen-bonded Turntrans-100.22.2-178.868.2-85000114I176I176-H178 PolarHBondContact O-N 3.33Å
179R80.5Confident75.3Confident86 Ų8681 Ų8133%0.32538%0.38SS..EExtended strand (participates in β ladder)trans-114.9141.5-179.2-70.2-167.3160.9-178.5-8.4111.5G117 L118 R175 I176G117-R179 VanDerWaalsContact O-CB 3.3Å; G117-R179 WeakPolarHBondContact O-CB 3.32Å; G117-R179 WeakPolarHBondContact O-CD 3.39Å; L118-R179 PolarHBondContact O-NH1 3.27Å; R175-R179 CarbonylContact C-O 3.53Å; R175-R179 VanDerWaalsContact CA-O 3.23Å; R175-R179 WeakPolarHBondContact CA-O 3.31Å; I176-R179 PolarHBondContact N-O 2.82Å; I176-R179 PolarHBondContact O-N 3.45Å
180Y83.6Confident74.3Confident143 Ų14380.4 Ų80.456%0.56138%0.376SS*.EExtended strand (participates in β ladder)trans-79.8139.4168.555.7-94.5000109.3E182Y180-E182 HydrophobicContact CD2-CG 4.16Å; Y180-E182 HydrophobicContact CE2-CG 4.26Å
181I86.3Confident73.4Confident0 Ų072.7 Ų72.70%034%0.343CS..PPolyproline II helixtrans-103.6124.1-178.9-52.3-50.4000109.1L115 R116 G117 L118 F130 K173 E174 I176 I183L115-I181 HydrophobicContact CB-CG2 4.14Å; L115-I181 HydrophobicContact CD2-CG2 4.16Å; R116-I181 WeakPolarHBondContact O-CA 3.4Å; G117-I181 VanDerWaalsContact O-CD1 3.27Å; G117-I181 WeakPolarHBondContact O-CD1 3.41Å; L118-I181 HydrophobicContact CD2-CD1 3.75Å; L118-I181 HydrophobicContact CD2-CG1 4.21Å; L118-I181 HydrophobicContact CD2-CG2 4.25Å; L118-I181 HydrophobicContact CG-CD1 4.3Å; F130-I181 HydrophobicContact CZ-CB 4.46Å; K173-I181 VanDerWaalsContact CA-O 3.23Å; K173-I181 WeakPolarHBondContact CA-O 3.3Å; K173-I181 PolarHBondContact N-O 3.23Å; E174-I181 PolarHBondContact O-N 3.31Å; I176-I181 HydrophobicContact CB-CD1 4.06Å; I176-I181 HydrophobicContact CB-CG1 3.84Å; I176-I181 HydrophobicContact CD1-CD1 4.29Å; I176-I181 HydrophobicContact CD1-CG1 3.65Å; I176-I181 HydrophobicContact CG1-CD1 4.27Å; I176-I181 HydrophobicContact CG1-CG1 3.54Å; I181-I183 HydrophobicContact CG2-CG1 4.37Å
182E81.9Confident72.4Confident48 Ų4879.4 Ų79.422%0.22437%0.367CS..EExtended strand (participates in β ladder)trans-93.2121.7173.7-61.6-177.9103.700108.9L115 R116 Y180 F184L115-E182 CarbonylContact C-O 3.47Å; L115-E182 WeakPolarHBondContact CA-O 3.09Å; R116-E182 HydrophobicContact CB-CB 4.32Å; R116-E182 PolarHBondContact N-O 3.16Å; R116-E182 PolarHBondContact O-N 3.5Å; Y180-E182 HydrophobicContact CD2-CG 4.16Å; Y180-E182 HydrophobicContact CE2-CG 4.26Å; E182-F184 HydrophobicContact CB-CD2 4.28Å; E182-F184 HydrophobicContact CB-CE2 3.43Å; E182-F184 VanDerWaalsContact CB-CE2 3.43Å; E182-F184 HydrophobicContact CB-CZ 3.83Å
183I84.8Confident71.2Confident4 Ų481 Ų812%0.02138%0.382CS..EExtended strand (participates in β ladder)trans-104.5122.1-178.6-52.7-179.5000108V113 L115 F130 F131 A168 L169 K171 H172 I181V113-I183 HydrophobicContact CG1-CG2 3.16Å; L115-I183 HydrophobicContact CD2-CB 4.41Å; L115-I183 HydrophobicContact CD2-CD1 4.49Å; L115-I183 HydrophobicContact CD2-CG1 3.86Å; L115-I183 HydrophobicContact CD2-CG2 4.18Å; F130-I183 HydrophobicContact CE1-CD1 3.88Å; F130-I183 HydrophobicContact CZ-CD1 4.2Å; F131-I183 HydrophobicContact CE1-CD1 3.98Å; F131-I183 HydrophobicContact CZ-CD1 3.94Å; A168-I183 WeakPolarHBondContact O-CD1 3.23Å; L169-I183 HydrophobicContact CD2-CG2 4.02Å; K171-I183 HydrophobicContact CB-CD1 4.15Å; K171-I183 WeakPolarHBondContact O-CD1 3.34Å; H172-I183 HydrophobicContact CB-CB 4.26Å; H172-I183 PolarHBondContact ND1-N 3.49Å; H172-I183 PolarHBondContact ND1-O 3.46Å; I181-I183 HydrophobicContact CG2-CG1 4.37Å
184F81.6Confident70.1Confident60 Ų6079 Ų7926%0.26337%0.374SS..EExtended strand (participates in β ladder)trans-120.4142.4179.4-61.3-83.3000110V113 R114 R116 E182 S186V113-F184 CarbonylContact C-O 3.6Å; V113-F184 WeakPolarHBondContact CA-O 3.29Å; V113-F184 WeakPolarHBondContact CG1-O 3.11Å; R114-F184 HydrophobicContact CB-CB 4.36Å; R114-F184 PolarHBondContact N-O 3.19Å; R114-F184 PolarHBondContact O-N 2.91Å; R116-F184 HydrophobicContact CB-CD2 4.46Å; R116-F184 HydrophobicContact CB-CE2 4.04Å; E182-F184 HydrophobicContact CB-CD2 4.28Å; E182-F184 HydrophobicContact CB-CE2 3.43Å; E182-F184 VanDerWaalsContact CB-CE2 3.43Å; E182-F184 HydrophobicContact CB-CZ 3.83Å; F184-S186 PolarHBondContact O-N 3.38Å
185K74.3Confident68.8Low118 Ų11884 Ų8451%0.51339%0.391SS..EExtended strand (participates in β ladder)trans-66.5130.7167.359.5175.1-170.8161.60108.7P102 L169P102-K185 PolarHBondContact O-NZ 3.26Å; P102-K185 VanDerWaalsContact O-NZ 3.15Å; L169-K185 HydrophobicContact CD1-CB 4.3Å; L169-K185 HydrophobicContact CD2-CB 4.47Å
186S65.1Low67.2Low7 Ų778.9 Ų78.95%0.04938%0.379CS..  trans-138.4162.2176.5-850000109.6F112 R114 F184 E190F112-S186 CarbonylContact C-O 3.37Å; F112-S186 WeakPolarHBondContact CB-O 3.34Å; F112-S186 PolarHBondContact O-N 2.78Å; R114-S186 WeakPolarHBondContact CB-OG 3.49Å; F184-S186 PolarHBondContact O-N 3.38Å; S186-E190 VanDerWaalsContact CB-OE2 3.32Å; S186-E190 WeakPolarHBondContact CB-OE2 3.29Å; S186-E190 PolarHBondContact OG-OE2 3.44Å
187S64.4Low65.4Low8 Ų882.9 Ų82.96%0.05641%0.405CS..  trans-107.4159.3175.367.90000111.6A189 E190S187-A189 PolarHBondContact O-N 3.28Å; S187-A189 VanDerWaalsContact O-N 3.14Å; S187-E190 WeakPolarHBondContact O-CB 3.28Å; S187-E190 PolarHBondContact O-N 3.48Å
188R56.4Low63.7Low151 Ų15185.3 Ų85.357%0.5741%0.408SS*.Hα-helixtrans-54.4-30174.3-172.4175.7178161.31.2113.1D110 F112 E190 V191 R192D110-R188 WeakPolarHBondContact OD2-CB 3.08Å; F112-R188 HydrophobicContact CD2-CB 3.76Å; F112-R188 HydrophobicContact CD2-CG 4.48Å; F112-R188 HydrophobicContact CE2-CB 3.46Å; F112-R188 VanDerWaalsContact CE2-CB 3.46Å; F112-R188 HydrophobicContact CE2-CG 3.72Å; F112-R188 HydrophobicContact CG-CB 4.44Å; F112-R188 HydrophobicContact CZ-CB 3.89Å; F112-R188 HydrophobicContact CZ-CG 3.73Å; R188-E190 VanDerWaalsContact C-N 3.31Å; R188-E190 PolarHBondContact O-N 3.14Å; R188-V191 PolarHBondContact O-N 3.34Å; R188-R192 PolarHBondContact O-N 3.12Å
189A53.9Low62.2Low63 Ų6388.2 Ų88.252%0.52141%0.413SS..Hα-helixtrans-63.6-35176.100000112.4S187 R192 T193S187-A189 PolarHBondContact O-N 3.28Å; S187-A189 VanDerWaalsContact O-N 3.14Å; A189-R192 PolarHBondContact O-N 3.31Å; A189-T193 PolarHBondContact O-N 3.39Å
190E58.6Low60.4Low46 Ų4693.8 Ų93.822%0.21544%0.439CS..Hα-helixtrans-70.7-33.4176.4-63.6-168.5171.100112.9R49 S186 S187 R188 R192 T193 H194R49-E190 IonicContact CZ-OE2 2.69Å; R49-E190 IonicContact NE-OE2 3.62Å; R49-E190 IonicContact NH2-OE2 2.82Å; R49-E190 PolarHBondContact NH2-OE2 3.37Å; S186-E190 VanDerWaalsContact CB-OE2 3.32Å; S186-E190 WeakPolarHBondContact CB-OE2 3.29Å; S186-E190 PolarHBondContact OG-OE2 3.44Å; S187-E190 WeakPolarHBondContact O-CB 3.28Å; S187-E190 PolarHBondContact O-N 3.48Å; R188-E190 VanDerWaalsContact C-N 3.31Å; R188-E190 PolarHBondContact O-N 3.14Å; E190-R192 VanDerWaalsContact C-N 3.26Å; E190-R192 PolarHBondContact O-N 2.62Å; E190-T193 PolarHBondContact O-N 3.38Å; E190-T193 PolarHBondContact O-OG1 3.03Å; E190-H194 PolarHBondContact O-CD2 2.87Å; E190-H194 PolarHBondContact O-N 3.21Å
191V58.9Low58.2Low17 Ų1794.3 Ų94.310%0.10345%0.451CS..Hα-helixtrans-65.4-36.6176.2-172.80000110.1F112 T142 F156 R188 Y195F112-V191 HydrophobicContact CD1-CG2 3.73Å; F112-V191 HydrophobicContact CE1-CG2 3.93Å; T142-V191 HydrophobicContact CG2-CG1 4.19Å; F156-V191 HydrophobicContact CB-CG1 4.29Å; F156-V191 HydrophobicContact CB-CG2 3.73Å; F156-V191 HydrophobicContact CD1-CG2 3.76Å; F156-V191 HydrophobicContact CD2-CG1 4.46Å; F156-V191 HydrophobicContact CD2-CG2 4.48Å; F156-V191 HydrophobicContact CE1-CG2 4.46Å; F156-V191 HydrophobicContact CG-CG1 4.4Å; F156-V191 HydrophobicContact CG-CG2 3.75Å; R188-V191 PolarHBondContact O-N 3.34Å; V191-Y195 WeakPolarHBondContact O-CB 3.14Å; V191-Y195 PolarHBondContact O-N 2.9Å; V191-Y195 VanDerWaalsContact O-N 3.12Å
192R51.9Low56.1Low197 Ų197103.2 Ų103.274%0.74350%0.495SS*.Hα-helixtrans-73-33.2-179.8-168.8174170.9-171.2-3.4113.2R188 A189 E190 Y195 D196R188-R192 PolarHBondContact O-N 3.12Å; A189-R192 PolarHBondContact O-N 3.31Å; E190-R192 VanDerWaalsContact C-N 3.26Å; E190-R192 PolarHBondContact O-N 2.62Å; R192-Y195 PolarHBondContact O-N 3.3Å; R192-D196 PolarHBondContact O-N 3.26Å
193T54.4Low54.1Low99 Ų99104.8 Ų104.861%0.60752%0.516SS*.Hα-helixtrans-74-26.7175.753.20000113.1A189 E190A189-T193 PolarHBondContact O-N 3.39Å; E190-T193 PolarHBondContact O-N 3.38Å; E190-T193 PolarHBondContact O-OG1 3.03Å
194H53.7Low52.2Low90 Ų90113.1 Ų113.142%0.41756%0.557SS.*Hα-helixtrans-81.3-18.6170.1-83.8-88.5000113.5R49 F156 E190R49-H194 PolarHBondContact NH1-NE2 3.03Å; F156-H194 HydrophobicContact CE2-CB 4.26Å; F156-H194 HydrophobicContact CZ-CB 4.48Å; E190-H194 PolarHBondContact O-CD2 2.87Å; E190-H194 PolarHBondContact O-N 3.21Å
195Y49.2Very low50.1Low184 Ų184119.1 Ų119.172%0.72259%0.586SS**Hα-helixtrans-83.7-30.6179.7-171.5-94.1000113.6V191 R192 P197V191-Y195 WeakPolarHBondContact O-CB 3.14Å; V191-Y195 PolarHBondContact O-N 2.9Å; V191-Y195 VanDerWaalsContact O-N 3.12Å; R192-Y195 PolarHBondContact O-N 3.3Å; Y195-P197 WeakPolarHBondContact O-CD 3.32Å
196D42.4Very low48.6Very low92 Ų92124.8 Ų124.849%0.49260%0.604SS.*SBendtrans-89.4103.7174.9-131.7-38000107.9R192R192-D196 PolarHBondContact O-N 3.26Å
197P41.2Very low47.3Very low99 Ų99129.2 Ų129.264%0.64363%0.632SS**  trans-52.5137.6159.525.6-32000105.6Y195 R199Y195-P197 WeakPolarHBondContact O-CD 3.32Å; P197-R199 PolarHBondContact O-N 3.21Å
198P40.3Very low46.3Very low125 Ų125131.1 Ų131.181%0.81265%0.654SS**  trans-53.3106.1-174.820.6-30.8000107.7K200P198-K200 PolarHBondContact O-N 2.78Å
199R42Very low45.5Very low215 Ų215130.5 Ų130.581%0.81167%0.669SS**  trans-51.4118.1158-87.9-175176-125-0.7102.4P197 L201P197-R199 PolarHBondContact O-N 3.21Å; R199-L201 PolarHBondContact O-N 2.68Å
200K43.8Very low44.7Very low204 Ų204138.4 Ų138.489%0.88769%0.687SS**  trans-5582165.8-77.3179.8175.8176.70106.7P198 M202P198-K200 PolarHBondContact O-N 2.78Å; K200-M202 VanDerWaalsContact C-N 3.31Å; K200-M202 PolarHBondContact O-N 3.1Å; K200-M202 VanDerWaalsContact O-N 3.11Å
201L36.5Very low43.9Very low154 Ų154142.1 Ų142.181%0.80671%0.709SS**  trans-66.9107.5155.8-167.370.8000101.8R199 A203R199-L201 PolarHBondContact O-N 2.68Å; L201-A203 PolarHBondContact O-N 2.85Å
202M43Very low43.1Very low186 Ų186152.8 Ų152.892%0.91675%0.747SS**  trans-57.377.6164-80.6-168.2163.700107.8K200 M204K200-M202 VanDerWaalsContact C-N 3.31Å; K200-M202 PolarHBondContact O-N 3.1Å; K200-M202 VanDerWaalsContact O-N 3.11Å; M202-M204 PolarHBondContact O-N 3.08Å
203A40.4Very low42.6Very low81 Ų81149.3 Ų149.367%0.66975%0.75SS**  trans-77.382.1162.200000105.3L201 Q205L201-A203 PolarHBondContact O-N 2.85Å; A203-Q205 PolarHBondContact O-N 3.29Å
204M43.8Very low41.6Very low179 Ų179148.2 Ų148.288%0.88276%0.758SS**  trans36.582.9133.7-148.3154.4163.900112.5M202 R206M202-M204 PolarHBondContact O-N 3.08Å; M204-R206 PolarHBondContact O-N 3.46Å
205Q38.9Very low40.7Very low186 Ų186149.2 Ų149.287%0.86978%0.782SS**  trans-46.3112.7166.4-79.217610.400107.8A203 P207A203-Q205 PolarHBondContact O-N 3.29Å; Q205-P207 VanDerWaalsContact O-CD 3.28Å; Q205-P207 WeakPolarHBondContact O-CD 3.46Å
206R42.6Very low40Very low238 Ų238143.8 Ų143.890%0.89878%0.782SS**PPolyproline II helixtrans-59.2118.7163.7-84.1-174.8168.3175.1-1.7106.6M204 G208M204-R206 PolarHBondContact O-N 3.46Å; R206-G208 PolarHBondContact O-N 2.71Å
207P37.9Very low39.6Very low99 Ų99152 Ų15264%0.64381%0.806SS**PPolyproline II helixtrans-64.5135.2-179-13.826.4000110.2Q205 D211Q205-P207 VanDerWaalsContact O-CD 3.28Å; Q205-P207 WeakPolarHBondContact O-CD 3.46Å; P207-D211 WeakPolarHBondContact CB-OD2 3.35Å
208G43.6Very low39Very low49 Ų49150.6 Ų150.651%0.50581%0.81SS.*PPolyproline II helixtrans-67151.4177.900000110.9R206 Y210R206-G208 PolarHBondContact O-N 2.71Å; G208-Y210 PolarHBondContact O-N 2.82Å
209P39.6Very low38.6Very low138 Ų138155 Ų15590%0.89681%0.812SS**THydrogen-bonded Turntrans-61.427.8-175.8-27.236.5000119.4
210Y36.3Very low38.2Very low229 Ų229151.4 Ų151.490%0.89881%0.809SS**THydrogen-bonded Turntrans-12417.5175-95.5-80.9000114.8G208 R212G208-Y210 PolarHBondContact O-N 2.82Å; Y210-R212 PolarHBondContact O-N 3.19Å; Y210-R212 VanDerWaalsContact O-N 3.13Å
211D41.3Very low37.6Very low124 Ų124145.8 Ų145.866%0.66380%0.796SS**  trans-77.499.8170.5-71.4-50000111.3P207P207-D211 WeakPolarHBondContact CB-OD2 3.35Å
212R43.2Very low37.4Very low240 Ų240146.4 Ų146.491%0.90680%0.798SS**  trans-82.5125.6173.4-161.8174.7-163.5169.14.1109.9Y210Y210-R212 PolarHBondContact O-N 3.19Å; Y210-R212 VanDerWaalsContact O-N 3.13Å
213P39.7Very low36.8Very low125 Ų125140.7 Ų140.781%0.81279%0.787SS**  trans-84.1140.217831.4-31.1000111.4
214G33.9Very low36.3Very low75 Ų75148.8 Ų148.877%0.77380%0.8SS**  trans158108.4156.900000117.9
215A35.7Very low35.6Very low112 Ų112143.9 Ų143.993%0.92680%0.795SS**  trans76123.815100000117.6
216G33.4Very low35.2Very low70 Ų70140.1 Ų140.172%0.72280%0.796SS**  cis136.9137.211.100000110
217R33.8Very low34.7Very low263 Ų263132.3 Ų132.399%0.99279%0.79SS**  trans78.2136.4170.1-56.1-169.4-175.9-137.94.7116.8
218G29.7Very low34.3Very low71 Ų71138.3 Ų138.373%0.73281%0.806SS**  cis175145.9100000112.4
219Y32.4Very low33.8Very low216 Ų216144.1 Ų144.185%0.84782%0.82SS**  trans38.7128.8146-97.1-95.6000123.8
220N32.8Very low33.4Very low140 Ų140149.2 Ų149.275%0.74982%0.822SS**  trans53.3139.4147.5-75.7-3.2000118.7
221S31.7Very low33.1Very low86 Ų86146.5 Ų146.560%0.60182%0.819SS**  cis-173.6150.430.4-141.50000109.5
222I31.9Very low32.8Very low167 Ų167152.1 Ų152.186%0.85683%0.831SS**  trans64.4121.4142.9-63.6159.9000119.8
223G30Very low32.2Very low67 Ų67152.8 Ų152.869%0.69183%0.833SS**  trans124.4100.7134.300000118.5
224R29.8Very low31.5Very low251 Ų251149.4 Ų149.495%0.94782%0.822SS**  trans38.7120.2148-74.5-170.9-176.7-176.42.2120.5
225G29Very low31.5Very low75 Ų75150.6 Ų150.677%0.77382%0.824SS**  91.7113.8117.700000118.8
226A31.7Very low31.1Very low107 Ų107156 Ų15688%0.88482%0.822SS**  trans57.7129.5140.800000121.3
227G30.5Very low31Very low75 Ų75156.4 Ų156.477%0.77383%0.827SS**  trans81.489.2140.800000116.4E229G227-E229 PolarHBondContact O-N 3.25Å; G227-E229 VanDerWaalsContact O-N 3.16Å
228F29.6Very low30.8Very low225 Ų225147 Ų14799%0.98781%0.811SS**  trans-80.191.9162.6-95.8-88.6000110
229E33.2Very low30.7Very low170 Ų170146.6 Ų146.679%0.79481%0.807SS**  trans-121.7108154.5-168.4145.4-148.500107.8G227G227-E229 PolarHBondContact O-N 3.25Å; G227-E229 VanDerWaalsContact O-N 3.16Å
230R31Very low30.5Very low246 Ų246146.1 Ų146.193%0.92881%0.805SS**  trans-137.6106.8156.7-84.4-161.6-158.8-177.58110.5R232R230-R232 PolarHBondContact O-N 2.97Å
231M30.9Very low30.4Very low171 Ų171141.5 Ų141.584%0.84279%0.79SS**  trans-43.7122153.6-76.4177.9-177.700112.1
232R35.5Very low30.3Very low242 Ų242139.6 Ų139.691%0.91378%0.784SS**  9.6110115.3-163.8-171.5-113.8-163-1.3117R230R230-R232 PolarHBondContact O-N 2.97Å
233R29.5Very low30.1Very low254 Ų254139.1 Ų139.196%0.95877%0.773SS**  trans177139136.9-115.2-170.2178-123.42.8106.6
234G26Very low30.2Very low55 Ų55141.8 Ų141.857%0.56777%0.771SS**  cis-174.6139.80.300000104.3
235A33.3Very low30.6Very low99 Ų99136.9 Ų136.982%0.81876%0.764SS**  68.293.5108.300000115.4
236Y26.9Very low31.7Very low225 Ų225143.6 Ų143.688%0.88277%0.768SS**  trans-170.6136.5141.842.2-100000112.2
237G31.4Very low32.1Very low80 Ų80146.7 Ų146.783%0.82577%0.769SS**  trans84.7105.2161.100000114.5
238G29.6Very low32Very low65 Ų65145.4 Ų145.467%0.6776%0.755SS**  86.9108.267.600000107.7
239G28.2Very low32.2Very low62 Ų62144.4 Ų144.464%0.63975%0.747SS**  cis95.782.935.700000109.5
240Y27.6Very low32Very low207 Ų207141.1 Ų141.181%0.81273%0.734SS**  trans-155.4129.7163.2-44.9-81.5000109.6
241G31.9Very low31.9Very low42 Ų42133.1 Ų133.143%0.43371%0.71SS.*  trans-95.1-175.1-177.900000115
242G29.2Very low31.9Very low46 Ų46127 Ų12747%0.47469%0.691SS.*  trans-176.8102.1172.300000116.9
243Y27.9Very low31.6Very low158 Ų158123.4 Ų123.462%0.6268%0.679SS**  trans63.1135.7147.132.9-78.3000128.2N250Y243-N250 WeakPolarHBondContact CA-O 3.35Å; Y243-N250 VanDerWaalsContact CB-O 3.26Å; Y243-N250 WeakPolarHBondContact CB-O 3.28Å; Y243-N250 VanDerWaalsContact CG-N 3.29Å; Y243-N250 PolarHBondContact N-O 2.68Å
244D31.5Very low31.6Very low123 Ų123115.1 Ų115.166%0.65867%0.672SS**  trans-48.9138.8166.4-64.2-70000116.6Y246D244-Y246 PolarHBondContact O-N 2.92Å
245D38.2Very low31.8Very low148 Ų148123.3 Ų123.379%0.79169%0.693SS**SBendtrans-49.7120.8139.2-78-77.1000108.5
246Y52.2Low31.5Very low216 Ų216121.8 Ų121.885%0.84769%0.687SS**SBend-149.692.560.2-122.6-98.1000108.4D244D244-Y246 PolarHBondContact O-N 2.92Å
247N39.3Very low31.5Very low172 Ų172115.8 Ų115.892%0.9268%0.678SS**SBendtrans53.186.5-169.6-16551.8000112.5
248G29.8Very low31.3Very low47 Ų47118.6 Ų118.649%0.48567%0.674SS.*SBendtrans126.3126.8150.600000116.4
249Y32Very low31.5Very low204 Ų204126.7 Ų126.780%0.868%0.684SS**  trans64.5134.9153.5-77.6-93000118.9
250N29.3Very low31.6Very low101 Ų101133.1 Ų133.154%0.5470%0.695SS.*  trans91.6103.5155.8-128.5-98.9000123.3Y243Y243-N250 WeakPolarHBondContact CA-O 3.35Å; Y243-N250 VanDerWaalsContact CB-O 3.26Å; Y243-N250 WeakPolarHBondContact CB-O 3.28Å; Y243-N250 VanDerWaalsContact CG-N 3.29Å; Y243-N250 PolarHBondContact N-O 2.68Å
251D30.5Very low32.2Very low79 Ų79127.2 Ų127.242%0.42270%0.697SS.*  trans33.3126136.5-52.7-88.8000121.3Y253D251-Y253 HydrophobicContact CB-CE2 4.42Å
252G29.7Very low32.3Very low43 Ų43136.3 Ų136.344%0.44372%0.718SS.*  135.4141.485.400000117
253Y29.5Very low32.3Very low166 Ų166141.2 Ų141.265%0.65173%0.734SS**  trans34.5139.1142.7-21.2-84.9000123D251D251-Y253 HydrophobicContact CB-CE2 4.42Å
254G28.7Very low32.8Very low80 Ų80142.3 Ų142.383%0.82575%0.75SS**  trans162.487.3147.300000119.4
255F30.6Very low33.2Very low226 Ų226143.1 Ų143.199%0.99175%0.754SS**  trans-67.2143.8155-134.6-98.7000109.5
256G26.5Very low33.2Very low67 Ų67147 Ų14769%0.69176%0.759SS**  trans165.387.2168.300000112.6
257S27.6Very low32.4Very low99 Ų99143.2 Ų143.269%0.69276%0.763SS**  55.6104.5102.6-101.50000114.9
258D28.1Very low32.3Very low140 Ų140145.2 Ų145.275%0.74976%0.764SS**  59.8103.4129.3-44.7-53.8000118.3
259R33.8Very low32.4Very low234 Ų234149 Ų14988%0.88378%0.783SS**SBend-135.9131.5129.8-75.1-162.5-171-172.75109.8
260F29.5Very low32.7Very low197 Ų197142.8 Ų142.886%0.86478%0.78SS**  trans88.780.8-175.9-56.4-73.6000115R262F260-R262 PolarHBondContact O-N 2.61Å
261G40.8Very low33.3Very low84 Ų84146.4 Ų146.487%0.86680%0.796SS**  trans-49.4107.8151.100000110.3
262R33Very low33.3Very low232 Ų232148.4 Ų148.488%0.87582%0.817SS**  trans-128.4113.2142.7-96.3-145.2-95.6-166.2-6.9107F260F260-R262 PolarHBondContact O-N 2.61Å
263D29.7Very low33.4Very low150 Ų150152.1 Ų152.180%0.80283%0.826SS**  trans10.4116.8157.5-54.5-71.4000117N265D263-N265 PolarHBondContact O-N 2.67Å; D263-N265 VanDerWaalsContact O-N 3.08Å
264L39.1Very low33.7Very low181 Ų181153.8 Ų153.895%0.94884%0.84SS**  trans-41.5112145.5-93.876.3000109.1
265N39.7Very low33.9Very low140 Ų140159.7 Ų159.775%0.74984%0.837SS**  trans-166.645.2137.8-158.125.6000114.8D263D263-N265 PolarHBondContact O-N 2.67Å; D263-N265 VanDerWaalsContact O-N 3.08Å
266Y37.5Very low34.2Very low229 Ų229160 Ų16090%0.89883%0.833SS**SBendtrans-167.582.1164.9-107.5-77.9000110
267C36.5Very low34.6Very low137 Ų137160.7 Ų160.793%0.92684%0.84SS**SBendtrans-172.727.5158.6-98.40000112.8
268F35.4Very low35Very low213 Ų213164.4 Ų164.493%0.93485%0.852SS**  trans-125.768.1169.5-154.4-89.9000109.9
269S33.1Very low35.3Very low128 Ų128161 Ų16190%0.89585%0.85SS**  trans-15968.1157.9-161.50000107.9
270G37Very low35.7Very low72 Ų72153.9 Ų153.974%0.74285%0.85SS**  trans-130.612.7-176.800000113.9
271M42.8Very low36.2Very low178 Ų178147.5 Ų147.588%0.87783%0.829SS**  trans-147.990.5177.8-8811887.900111.1
272S30.3Very low36.2Very low121 Ų121150.3 Ų150.385%0.84683%0.83SS**SBendtrans175.5119.3154.9-64.20000104.8
273D32.7Very low36.9Very low121 Ų121141 Ų14165%0.64780%0.796SS**  cis-15711814-153.9-76.3000104.6R275D273-R275 PolarHBondContact O-N 3.11Å; D273-R275 WeakPolarHBondContact OD1-CG 2.99Å; D273-R275 IonicContact OD1-NE 3.95Å
274H35.4Very low37.9Very low201 Ų201141.5 Ų141.593%0.93179%0.793SS**  trans-89.493.7167.5-83.37.3000107.7
275R33.4Very low38.6Very low203 Ų203134.9 Ų134.977%0.76676%0.762SS**  trans-129.2103.6162.9-80.8-165.3-163.1-155.57.4111D273D273-R275 PolarHBondContact O-N 3.11Å; D273-R275 WeakPolarHBondContact OD1-CG 2.99Å; D273-R275 IonicContact OD1-NE 3.95Å
276Y36.5Very low39.4Very low234 Ų234133 Ų13392%0.91876%0.756SS**SBendtrans57.2109.7154.6-70.5-86.8000118.8
277G33.9Very low40.5Very low80 Ų80124 Ų12483%0.82573%0.725SS**  trans135.874.8146.900000115.7
278D35.5Very low41.9Very low177 Ų177118.5 Ų118.595%0.94769%0.692SS**  trans-65.3130.4161.8175.8-117.9000110.3
279G36.1Very low44Very low70 Ų70108.9 Ų108.972%0.72265%0.649SS**  trans156.353.1178.200000116.6
280G41.9Very low46.3Very low84 Ų84103.7 Ų103.787%0.86661%0.613SS**  trans14.999.3164.900000122.1
281S39Very low48.6Very low63 Ų63100.2 Ų100.244%0.44158%0.578SS.*  -134.5129.2124.6760000107.7F283S281-F283 PolarHBondContact O-N 3Å
282T42.4Very low50.7Low142 Ų14293.1 Ų93.187%0.87154%0.542SS*.  trans-79.451.3-178.6-49.10000110.3Q284T282-Q284 PolarHBondContact O-N 2.85Å
283F47.3Very low53.3Low37 Ų3787.4 Ų87.416%0.16250%0.502CS..  trans-92.483.8175.1-161.8-93.6000109.7S281 S285 R316 H318 E334S281-F283 PolarHBondContact O-N 3Å; F283-S285 PolarHBondContact O-N 2.77Å; F283-R316 VanDerWaalsContact CE2-CD 3.49Å; F283-R316 HydrophobicContact CE2-CG 4.07Å; F283-R316 HydrophobicContact CZ-CB 4.13Å; F283-R316 HydrophobicContact CZ-CG 4.16Å; F283-H318 HydrophobicContact CD2-CB 3.99Å; F283-H318 HydrophobicContact CE2-CB 3.9Å; F283-E334 HydrophobicContact CE1-CB 3.97Å; F283-E334 HydrophobicContact CE1-CG 4.46Å; F283-E334 HydrophobicContact CZ-CB 3.87Å
284Q50.5Low55.8Low160 Ų16086.9 Ų86.975%0.74849%0.491SS*.  trans-68.7101.6168.7-75.5-179.5-18.200108.4T282 T286T282-Q284 PolarHBondContact O-N 2.85Å; Q284-T286 PolarHBondContact O-N 3.49Å
285S52.9Low57.9Low43 Ų4378.2 Ų78.230%0.30146%0.456SS..  trans-63.4108.8172.2-65.70000108.3F283 T287F283-S285 PolarHBondContact O-N 2.77Å; S285-T287 PolarHBondContact O-N 2.87Å
286T56.8Low60.3Low100 Ų10068.7 Ų68.761%0.61342%0.42SS*.SBendtrans-71.4-24.3178.636.10000112.5Q284 R316 E334Q284-T286 PolarHBondContact O-N 3.49Å; T286-R316 PolarHBondContact OG1-NH2 2.89Å; T286-E334 WeakPolarHBondContact CA-OE1 3.33Å; T286-E334 PolarHBondContact N-OE1 3.21Å; T286-E334 PolarHBondContact OG1-OE1 2.98Å; T286-E334 PolarHBondContact OG1-OE2 2.8Å
287T61.5Low62.3Low39 Ų3957.7 Ų57.724%0.23938%0.377CS..SBendtrans-106.3-11.9-178.358.10000112.9S285 H289 E334 F335S285-T287 PolarHBondContact O-N 2.87Å; T287-H289 PolarHBondContact O-CD2 2.78Å; T287-H289 PolarHBondContact O-N 3.47Å; T287-H289 PolarHBondContact OG1-N 3.09Å; T287-E334 WeakPolarHBondContact CB-OE1 3.21Å; T287-E334 WeakPolarHBondContact CG2-OE1 3.33Å; T287-E334 PolarHBondContact N-OE1 3.39Å; T287-E334 WeakPolarHBondContact OG1-CG 3.49Å; T287-E334 PolarHBondContact OG1-OE1 2.76Å; T287-F335 WeakPolarHBondContact CB-O 3.13Å; T287-F335 PolarHBondContact OG1-O 3.14Å
288G66.3Low64.4Low23 Ų2361.3 Ų61.324%0.23737%0.367CS..SBendtrans66.68-175.100000115.1
289H78.5Confident66.3Low10 Ų1063.5 Ų63.55%0.04636%0.362CS..EExtended strand (participates in β ladder)trans-11982.9-177-59.6-47.5000110T287 F335 H338 S363T287-H289 PolarHBondContact O-CD2 2.78Å; T287-H289 PolarHBondContact O-N 3.47Å; T287-H289 PolarHBondContact OG1-N 3.09Å; H289-F335 PolarHBondContact O-N 3.46Å; H289-H338 PolarHBondContact CD2-N 3.48Å; H289-H338 VanDerWaalsContact CD2-N 3.3Å; H289-S363 PolarHBondContact ND1-OG 3.16Å
290C80.6Confident68.2Low19 Ų1960.7 Ų60.713%0.12833%0.332CS..EExtended strand (participates in β ladder)trans-111.7150.8176.657.70000112.4V333 N362C290-V333 CarbonylContact C-O 3.56Å; C290-V333 WeakPolarHBondContact CA-O 3.13Å; C290-N362 CarbonylContact O-C 3.12Å; C290-N362 VanDerWaalsContact O-CA 3.26Å; C290-N362 WeakPolarHBondContact O-CA 3.16Å; C290-N362 PolarHBondContact O-N 3.38Å; C290-N362 WeakPolarHBondContact SG-CB 3.22Å; C290-N362 PolarHBondContact SG-O 3.18Å
291V86.1Confident70.1Confident0 Ų059.9 Ų59.90%031%0.311CS..EExtended strand (participates in β ladder)trans-123119173.8177.70000106.8V333 F335 A341 M345 L359 F360 L361V291-V333 PolarHBondContact N-O 3.49Å; V291-V333 PolarHBondContact O-N 3.18Å; V291-F335 HydrophobicContact CB-CD2 4.36Å; V291-F335 HydrophobicContact CB-CE2 3.89Å; V291-F335 HydrophobicContact CG2-CD2 3.75Å; V291-F335 HydrophobicContact CG2-CE2 3.56Å; V291-A341 HydrophobicContact CG2-CB 3.93Å; V291-M345 HydrophobicContact CG1-SD 4.33Å; V291-L359 HydrophobicContact CG1-CB 3.98Å; V291-L359 HydrophobicContact CG1-CD2 4.22Å; V291-F360 CarbonylContact C-O 3.51Å; V291-F360 WeakPolarHBondContact CA-O 3.49Å; V291-L361 HydrophobicContact CG2-CD1 3.9Å
292H85.9Confident72.1Confident29 Ų2961.5 Ų61.513%0.13431%0.311CS..EExtended strand (participates in β ladder)trans-85.9128.6174.4-179.780.1000109.4R294 D332 L359 F360H292-R294 VanDerWaalsContact NE2-CG 3.26Å; H292-R294 WeakPolarHBondContact NE2-CG 3.36Å; H292-D332 IonicContact CE1-OD1 3.82Å; H292-D332 IonicContact CG-OD1 3.55Å; H292-D332 IonicContact ND1-OD1 3.39Å; H292-D332 PolarHBondContact ND1-OD1 3.02Å; H292-L359 CarbonylContact O-C 3.6Å; H292-L359 WeakPolarHBondContact O-CA 3.34Å; H292-F360 HydrophobicContact CB-CB 4.19Å; H292-F360 AromaticContact CD2-CD2 3.94Å; H292-F360 PolarHBondContact N-O 3.3Å; H292-F360 PolarHBondContact O-N 3.05Å
293M86.5Confident74.1Confident0 Ų060.1 Ų60.10%030%0.298CS..EExtended strand (participates in β ladder)trans-108.8134.3-179.1-51.6-177.972.200109.9L296 I305 F308 F309 E330 A331 V333 M352 V357 E358 L359M293-L296 HydrophobicContact CB-CD1 4.4Å; M293-L296 HydrophobicContact CB-CG 4.49Å; M293-L296 HydrophobicContact CE-CD2 3.74Å; M293-L296 HydrophobicContact SD-CD2 4.45Å; M293-I305 HydrophobicContact CE-CG2 4.24Å; M293-I305 HydrophobicContact SD-CG2 3.68Å; M293-F308 HydrophobicContact CE-CD1 3.98Å; M293-F308 HydrophobicContact CE-CE1 4.02Å; M293-F309 HydrophobicContact CE-CE2 3.51Å; M293-F309 HydrophobicContact CE-CZ 3.57Å; M293-F309 HydrophobicContact CG-CE2 4.46Å; M293-F309 HydrophobicContact CG-CZ 4.25Å; M293-F309 HydrophobicContact SD-CE2 3.41Å; M293-F309 WeakPolarHBondContact SD-CE2 3.25Å; M293-F309 HydrophobicContact SD-CZ 3.71Å; M293-E330 CarbonylContact O-C 3.56Å; M293-E330 VanDerWaalsContact O-CA 3.25Å; M293-E330 WeakPolarHBondContact O-CA 3.4Å; M293-A331 WeakPolarHBondContact CA-O 3.34Å; M293-A331 HydrophobicContact CB-CB 4.45Å; M293-A331 WeakPolarHBondContact CB-O 3.42Å; M293-A331 PolarHBondContact N-O 2.91Å; M293-A331 PolarHBondContact O-N 3.15Å; M293-V333 HydrophobicContact CG-CG2 3.95Å; M293-V333 HydrophobicContact SD-CB 4.5Å; M293-V333 HydrophobicContact SD-CG2 3.38Å; M293-V333 WeakPolarHBondContact SD-CG2 3.31Å; M293-M352 HydrophobicContact CE-CE 4.21Å; M293-V357 HydrophobicContact CB-CG1 4.44Å; M293-V357 HydrophobicContact CE-CG1 3.67Å; M293-E358 CarbonylContact C-O 3.55Å; M293-E358 WeakPolarHBondContact CA-O 3.46Å; M293-L359 HydrophobicContact CB-CD2 4.08Å; M293-L359 HydrophobicContact CE-CD2 3.78Å; M293-L359 HydrophobicContact CG-CD2 3.57Å; M293-L359 HydrophobicContact SD-CD2 4.37Å
294R85Confident75.8Confident110 Ų11060.7 Ų60.742%0.41530%0.303SS..EExtended strand (participates in β ladder)trans-127.7150.4171.6-57-179.787.8168.510.6109.9H292 G329 E330 V357 E358 F360H292-R294 VanDerWaalsContact NE2-CG 3.26Å; H292-R294 WeakPolarHBondContact NE2-CG 3.36Å; R294-G329 CarbonylContact C-O 3.32Å; R294-E330 HydrophobicContact CG-CG 4.23Å; R294-E330 IonicContact CZ-OE1 3.49Å; R294-E330 IonicContact NE-OE1 3.37Å; R294-E330 PolarHBondContact NE-OE1 2.98Å; R294-E330 IonicContact NH2-OE1 3.54Å; R294-E330 PolarHBondContact NH2-OE1 2.83Å; R294-V357 CarbonylContact O-C 3.53Å; R294-V357 WeakPolarHBondContact O-CA 3.45Å; R294-E358 PolarHBondContact N-O 2.82Å; R294-E358 PolarHBondContact O-N 3.45Å; R294-F360 HydrophobicContact CB-CE2 4.13Å; R294-F360 VanDerWaalsContact CD-CE2 3.48Å; R294-F360 HydrophobicContact CG-CD2 4.17Å; R294-F360 HydrophobicContact CG-CE2 3.81Å
295G80.2Confident77.4Confident19 Ų1953.1 Ų53.120%0.19627%0.268CS..  trans92.611.8178.900000114.4G329 R355G295-G329 PolarHBondContact N-O 2.79Å; G295-R355 WeakPolarHBondContact O-CB 3.35Å; G295-R355 PolarHBondContact O-NE 3.24Å; G295-R355 PolarHBondContact O-NH2 2.93Å; G295-R355 VanDerWaalsContact O-NH2 3.1Å
296L82.8Confident78.8Confident3 Ų355 Ų552%0.01627%0.269CS..  trans-62133.4175.4-69.6173.6000111.7M293 A300 I305 G329 A331 M352 R355 V357M293-L296 HydrophobicContact CB-CD1 4.4Å; M293-L296 HydrophobicContact CB-CG 4.49Å; M293-L296 HydrophobicContact CE-CD2 3.74Å; M293-L296 HydrophobicContact SD-CD2 4.45Å; L296-A300 HydrophobicContact CB-CB 4.4Å; L296-I305 HydrophobicContact CD1-CD1 3.76Å; L296-I305 HydrophobicContact CD1-CG1 4.33Å; L296-I305 HydrophobicContact CD2-CD1 4.47Å; L296-I305 HydrophobicContact CD2-CG1 4.14Å; L296-G329 PolarHBondContact N-O 2.9Å; L296-G329 WeakPolarHBondContact O-CA 3.43Å; L296-A331 HydrophobicContact CD1-CB 3.32Å; L296-M352 HydrophobicContact CD2-CE 3.5Å; L296-M352 HydrophobicContact CD2-SD 3.49Å; L296-M352 WeakPolarHBondContact CD2-SD 3.4Å; L296-R355 PolarHBondContact O-NH2 3.45Å; L296-V357 HydrophobicContact CD2-CG1 4.35Å; L296-V357 HydrophobicContact CD2-CG2 4.23Å
297P79.4Confident80.1Confident3 Ų355.9 Ų55.92%0.01927%0.27CS..  trans-52.5144.2174.5-25.132000112.1R299 A300 M352 Q353 R355P297-R299 PolarHBondContact O-N 2.89Å; P297-A300 HydrophobicContact CB-CB 4.28Å; P297-A300 HydrophobicContact CG-CB 4.47Å; P297-A300 VanDerWaalsContact O-CB 3.22Å; P297-A300 WeakPolarHBondContact O-CB 3.49Å; P297-A300 PolarHBondContact O-N 2.81Å; P297-M352 HydrophobicContact CG-CB 4.41Å; P297-M352 HydrophobicContact CG-CG 4.25Å; P297-M352 WeakPolarHBondContact CG-O 3.47Å; P297-M352 HydrophobicContact CG-SD 4.37Å; P297-Q353 HydrophobicContact CG-CB 4.46Å; P297-R355 HydrophobicContact CG-CB 4.35Å; P297-R355 HydrophobicContact CG-CG 4.34Å
298Y77.1Confident81Confident157 Ų15755.3 Ų55.362%0.61626%0.264SS*.THydrogen-bonded Turntrans-65-2.6-179.4-58.8-66000115V327Y298-V327 HydrophobicContact CD1-CG2 4.22Å; Y298-V327 VanDerWaalsContact CD1-O 3.32Å; Y298-V327 WeakPolarHBondContact CD1-O 3.47Å; Y298-V327 WeakPolarHBondContact O-CG2 3.22Å
299R75.3Confident81.7Confident223 Ų22354.2 Ų54.284%0.84225%0.253SS*.THydrogen-bonded Turntrans-114.54.2174.3-63.3-176.3-180177.2-0.4112.6P297 T301P297-R299 PolarHBondContact O-N 2.89Å; R299-T301 PolarHBondContact O-N 2.82Å
300A75.4Confident81.6Confident10 Ų1057.2 Ų57.28%0.08328%0.275CS..  trans-69.3131.5-178.600000109.9L296 P297 M352L296-A300 HydrophobicContact CB-CB 4.4Å; P297-A300 HydrophobicContact CB-CB 4.28Å; P297-A300 HydrophobicContact CG-CB 4.47Å; P297-A300 VanDerWaalsContact O-CB 3.22Å; P297-A300 WeakPolarHBondContact O-CB 3.49Å; P297-A300 PolarHBondContact O-N 2.81Å; A300-M352 HydrophobicContact CB-SD 4.21Å
301T82.2Confident81.5Confident68 Ų6861.6 Ų61.642%0.41730%0.303SS..  trans-101.9166.6175.161.20000110.3R299 N303 D304 I305R299-T301 PolarHBondContact O-N 2.82Å; T301-N303 PolarHBondContact O-N 3.4Å; T301-D304 PolarHBondContact N-OD2 3.33Å; T301-D304 WeakPolarHBondContact O-CB 3Å; T301-D304 PolarHBondContact O-N 3.18Å; T301-D304 PolarHBondContact OG1-OD2 3Å; T301-I305 PolarHBondContact O-N 2.7Å
302E81.8Confident81.2Confident96 Ų9662.8 Ų62.845%0.44931%0.309SS..Hα-helixtrans-55.7-38.5174.7-64.2173.5176.200111.1D304 I305 Y306 V317 I319E302-D304 VanDerWaalsContact C-N 3.3Å; E302-D304 PolarHBondContact O-N 2.97Å; E302-I305 WeakPolarHBondContact O-CA 3.35Å; E302-I305 WeakPolarHBondContact O-CB 3.47Å; E302-I305 PolarHBondContact O-N 3.04Å; E302-Y306 HydrophobicContact CB-CD2 4.48Å; E302-Y306 HydrophobicContact CB-CE2 4.17Å; E302-Y306 WeakPolarHBondContact O-CD2 3.41Å; E302-Y306 PolarHBondContact O-N 3.13Å; E302-V317 HydrophobicContact CB-CG1 4.46Å; E302-V317 HydrophobicContact CG-CG1 4.22Å; E302-I319 HydrophobicContact CG-CD1 3.9Å; E302-I319 HydrophobicContact CG-CG1 4.29Å
303N83.4Confident80.7Confident113 Ų11367.7 Ų67.760%0.60434%0.337SS*.Hα-helixtrans-58.6-37174.6-69.586.3000113.5T301 I305 Y306 N307T301-N303 PolarHBondContact O-N 3.4Å; N303-I305 VanDerWaalsContact C-N 3.29Å; N303-Y306 PolarHBondContact O-N 2.77Å; N303-N307 WeakPolarHBondContact O-CB 3.3Å; N303-N307 VanDerWaalsContact O-CG 3.3Å; N303-N307 PolarHBondContact O-N 2.98Å; N303-N307 PolarHBondContact O-ND2 3.26Å
304D84.3Confident80.5Confident50 Ų5068.2 Ų68.227%0.26734%0.34SS..Hα-helixtrans-68.1-34.1176.3-61.3-53.9000111.3T301 E302 N307 F308T301-D304 PolarHBondContact N-OD2 3.33Å; T301-D304 WeakPolarHBondContact O-CB 3Å; T301-D304 PolarHBondContact O-N 3.18Å; T301-D304 PolarHBondContact OG1-OD2 3Å; E302-D304 VanDerWaalsContact C-N 3.3Å; E302-D304 PolarHBondContact O-N 2.97Å; D304-N307 PolarHBondContact O-N 3.42Å; D304-F308 VanDerWaalsContact O-CB 3.3Å; D304-F308 WeakPolarHBondContact O-CB 3.34Å; D304-F308 PolarHBondContact O-N 2.91Å
305I83.1Confident80.3Confident0 Ų066.4 Ų66.40%034%0.341CS..Hα-helixtrans-69-43.8175.5-60.8169.8000110.2M293 L296 T301 E302 N303 N307 F308 F309 V317 I319 A331 V333 M352M293-I305 HydrophobicContact CE-CG2 4.24Å; M293-I305 HydrophobicContact SD-CG2 3.68Å; L296-I305 HydrophobicContact CD1-CD1 3.76Å; L296-I305 HydrophobicContact CD1-CG1 4.33Å; L296-I305 HydrophobicContact CD2-CD1 4.47Å; L296-I305 HydrophobicContact CD2-CG1 4.14Å; T301-I305 PolarHBondContact O-N 2.7Å; E302-I305 WeakPolarHBondContact O-CA 3.35Å; E302-I305 WeakPolarHBondContact O-CB 3.47Å; E302-I305 PolarHBondContact O-N 3.04Å; N303-I305 VanDerWaalsContact C-N 3.29Å; I305-N307 VanDerWaalsContact C-N 3.35Å; I305-N307 PolarHBondContact O-N 3.05Å; I305-F308 PolarHBondContact O-N 3.45Å; I305-F309 HydrophobicContact CG2-CD2 3.78Å; I305-F309 HydrophobicContact CG2-CE2 3.66Å; I305-F309 WeakPolarHBondContact O-CD2 3.15Å; I305-F309 PolarHBondContact O-N 3.25Å; I305-V317 HydrophobicContact CB-CG1 4.15Å; I305-V317 HydrophobicContact CD1-CG1 3.58Å; I305-V317 HydrophobicContact CG1-CG1 4.47Å; I305-V317 HydrophobicContact CG2-CG1 3.9Å; I305-V317 HydrophobicContact CG2-CG2 4.1Å; I305-I319 HydrophobicContact CD1-CD1 3.71Å; I305-I319 HydrophobicContact CD1-CG1 3.68Å; I305-A331 HydrophobicContact CD1-CB 4.23Å; I305-V333 HydrophobicContact CG2-CG2 3.87Å; I305-M352 HydrophobicContact CG1-CE 4.45Å
306Y82.9Confident80.1Confident84 Ų8470 Ų7033%0.32935%0.349SS..Hα-helixtrans-58.5-45172.6-73.8-71.6000112.1E302 N303 F308 F309 S310 P314 V317E302-Y306 HydrophobicContact CB-CD2 4.48Å; E302-Y306 HydrophobicContact CB-CE2 4.17Å; E302-Y306 WeakPolarHBondContact O-CD2 3.41Å; E302-Y306 PolarHBondContact O-N 3.13Å; N303-Y306 PolarHBondContact O-N 2.77Å; Y306-F308 VanDerWaalsContact C-N 3.33Å; Y306-F308 PolarHBondContact O-N 3.22Å; Y306-F309 PolarHBondContact O-N 2.93Å; Y306-S310 PolarHBondContact O-N 3.47Å; Y306-P314 HydrophobicContact CD1-CG 3.57Å; Y306-P314 HydrophobicContact CE1-CB 4.45Å; Y306-P314 HydrophobicContact CE1-CG 3.6Å; Y306-P314 WeakPolarHBondContact CE1-O 3.44Å; Y306-V317 HydrophobicContact CE1-CG2 4.1Å; Y306-V317 HydrophobicContact CE2-CG2 4.07Å
307N83.6Confident80.2Confident117 Ų11770.4 Ų70.463%0.62635%0.351SS*.Hα-helixtrans-64.9-36.6177.1-73.9-32.4000112.5N303 D304 I305 F309 S310N303-N307 WeakPolarHBondContact O-CB 3.3Å; N303-N307 VanDerWaalsContact O-CG 3.3Å; N303-N307 PolarHBondContact O-N 2.98Å; N303-N307 PolarHBondContact O-ND2 3.26Å; D304-N307 PolarHBondContact O-N 3.42Å; I305-N307 VanDerWaalsContact C-N 3.35Å; I305-N307 PolarHBondContact O-N 3.05Å; N307-F309 VanDerWaalsContact C-N 3.35Å; N307-S310 VanDerWaalsContact O-CB 3.3Å; N307-S310 WeakPolarHBondContact O-CB 3.41Å; N307-S310 PolarHBondContact O-N 2.88Å
308F80.7Confident80.3Confident28 Ų2874.1 Ų74.112%0.12337%0.368CS..Hα-helixtrans-66.1-37.2176.8177.9-95.8000112.3M293 D304 I305 Y306 K347 A350 M352 V357 L359M293-F308 HydrophobicContact CE-CD1 3.98Å; M293-F308 HydrophobicContact CE-CE1 4.02Å; D304-F308 VanDerWaalsContact O-CB 3.3Å; D304-F308 WeakPolarHBondContact O-CB 3.34Å; D304-F308 PolarHBondContact O-N 2.91Å; I305-F308 PolarHBondContact O-N 3.45Å; Y306-F308 VanDerWaalsContact C-N 3.33Å; Y306-F308 PolarHBondContact O-N 3.22Å; F308-K347 HydrophobicContact CE1-CB 4.39Å; F308-K347 HydrophobicContact CZ-CB 4.41Å; F308-K347 WeakPolarHBondContact O-CD 3.38Å; F308-K347 PolarHBondContact O-NZ 2.97Å; F308-A350 HydrophobicContact CE2-CB 3.72Å; F308-A350 HydrophobicContact CZ-CB 3.78Å; F308-M352 HydrophobicContact CB-CE 3.41Å; F308-M352 VanDerWaalsContact CB-CE 3.41Å; F308-M352 HydrophobicContact CD1-CE 3.93Å; F308-M352 HydrophobicContact CD2-CB 4.21Å; F308-M352 HydrophobicContact CD2-CE 3.65Å; F308-M352 HydrophobicContact CD2-CG 4.4Å; F308-M352 HydrophobicContact CE2-CB 4.3Å; F308-M352 HydrophobicContact CE2-CE 4.34Å; F308-M352 HydrophobicContact CG-CE 3.39Å; F308-V357 HydrophobicContact CE1-CG1 4.46Å; F308-V357 HydrophobicContact CZ-CB 4.11Å; F308-V357 HydrophobicContact CZ-CG1 4.33Å; F308-L359 HydrophobicContact CE1-CD1 4.36Å; F308-L359 HydrophobicContact CE1-CD2 4.46Å
309F80.8Confident80.6Confident0 Ų067.8 Ų67.80%034%0.344CS..Hα-helixtrans-81.6-17.8176.8-73.1-63.5000114.5M293 I305 Y306 N307 L312 V333 F335 A344 K347 L359M293-F309 HydrophobicContact CE-CE2 3.51Å; M293-F309 HydrophobicContact CE-CZ 3.57Å; M293-F309 HydrophobicContact CG-CE2 4.46Å; M293-F309 HydrophobicContact CG-CZ 4.25Å; M293-F309 HydrophobicContact SD-CE2 3.41Å; M293-F309 WeakPolarHBondContact SD-CE2 3.25Å; M293-F309 HydrophobicContact SD-CZ 3.71Å; I305-F309 HydrophobicContact CG2-CD2 3.78Å; I305-F309 HydrophobicContact CG2-CE2 3.66Å; I305-F309 WeakPolarHBondContact O-CD2 3.15Å; I305-F309 PolarHBondContact O-N 3.25Å; Y306-F309 PolarHBondContact O-N 2.93Å; N307-F309 VanDerWaalsContact C-N 3.35Å; F309-L312 CarbonylContact C-O 3.55Å; F309-L312 HydrophobicContact CB-CB 4.27Å; F309-L312 VanDerWaalsContact O-CB 3.26Å; F309-L312 WeakPolarHBondContact O-CB 3.39Å; F309-L312 PolarHBondContact O-N 2.7Å; F309-V333 HydrophobicContact CD2-CG1 4.39Å; F309-V333 HydrophobicContact CE2-CB 4.39Å; F309-V333 HydrophobicContact CE2-CG1 4.15Å; F309-V333 HydrophobicContact CE2-CG2 4.01Å; F309-F335 AromaticContact CD1-CZ 3.98Å; F309-F335 HydrophobicContact CD1-CZ 3.98Å; F309-F335 HydrophobicContact CD2-CZ 4.4Å; F309-F335 HydrophobicContact CE1-CZ 4.18Å; F309-F335 HydrophobicContact CG-CZ 4.11Å; F309-F335 HydrophobicContact CZ-CZ 4.44Å; F309-A344 HydrophobicContact CD1-CB 3.84Å; F309-A344 HydrophobicContact CE1-CB 3.7Å; F309-K347 VanDerWaalsContact C-NZ 3.26Å; F309-K347 PolarHBondContact O-NZ 3.48Å; F309-L359 HydrophobicContact CE1-CD1 3.84Å; F309-L359 HydrophobicContact CE1-CD2 4.31Å; F309-L359 HydrophobicContact CZ-CD1 4.21Å; F309-L359 HydrophobicContact CZ-CD2 3.83Å
310S76.9Confident80.8Confident72 Ų7259.5 Ų59.550%0.50332%0.315SS..THydrogen-bonded Turntrans-44.1124.2175.9-174.90000113.5Y306 N307 K347Y306-S310 PolarHBondContact O-N 3.47Å; N307-S310 VanDerWaalsContact O-CB 3.3Å; N307-S310 WeakPolarHBondContact O-CB 3.41Å; N307-S310 PolarHBondContact O-N 2.88Å; S310-K347 PolarHBondContact O-NZ 2.78Å
311P77.4Confident81.1Confident111 Ų11164.2 Ų64.272%0.72134%0.338SS*.THydrogen-bonded Turncis-884.915.435.4-37.5000116.2
312L80.4Confident80.8Confident25 Ų2561.5 Ų61.513%0.13132%0.324CS..SBendtrans-74.9134.6179.2-55.8169.7000110.3F309 P314 F335 A343 A344F309-L312 CarbonylContact C-O 3.55Å; F309-L312 HydrophobicContact CB-CB 4.27Å; F309-L312 VanDerWaalsContact O-CB 3.26Å; F309-L312 WeakPolarHBondContact O-CB 3.39Å; F309-L312 PolarHBondContact O-N 2.7Å; L312-P314 WeakPolarHBondContact O-CD 3.39Å; L312-F335 HydrophobicContact CB-CE1 4.19Å; L312-A343 HydrophobicContact CD1-CB 3.87Å; L312-A343 HydrophobicContact CD2-CB 3.87Å; L312-A344 HydrophobicContact CD1-CB 3.85Å; L312-A344 VanDerWaalsContact CD1-N 3.33Å
313N76.3Confident80.3Confident133 Ų13364.2 Ų64.271%0.71135%0.35SS*.  trans-105.397-179.1-70.5-26.9000110.2
314P82Confident79.8Confident10 Ų1063.7 Ų63.77%0.06535%0.347CS..  trans-66.5142.1173.423.3-28.1000111.1Y306 L312 V317 V333 E334 F335Y306-P314 HydrophobicContact CD1-CG 3.57Å; Y306-P314 HydrophobicContact CE1-CB 4.45Å; Y306-P314 HydrophobicContact CE1-CG 3.6Å; Y306-P314 WeakPolarHBondContact CE1-O 3.44Å; L312-P314 WeakPolarHBondContact O-CD 3.39Å; P314-V317 HydrophobicContact CB-CG2 4.22Å; P314-V317 HydrophobicContact CG-CG2 4.03Å; P314-V333 HydrophobicContact CB-CG1 3.26Å; P314-V333 HydrophobicContact CG-CG1 3.97Å; P314-E334 CarbonylContact C-O 3.51Å; P314-E334 WeakPolarHBondContact CA-O 3.46Å; P314-F335 HydrophobicContact CB-CD1 4.25Å; P314-F335 HydrophobicContact CB-CE1 3.91Å; P314-F335 HydrophobicContact CB-CZ 4.23Å
315V79.6Confident79.2Confident73 Ų7364.1 Ų64.144%0.44236%0.363SS..SBendtrans-75.3-36.8-178.71770000110.7E334 A336V315-E334 PolarHBondContact N-O 3.45Å; V315-A336 HydrophobicContact CG2-CB 3.63Å; V315-A336 VanDerWaalsContact CG2-N 3.34Å
316R77.6Confident78.8Confident95 Ų9572.8 Ų72.836%0.35840%0.396SS..EExtended strand (participates in β ladder)trans-150.8137.6-179-158.7-179.9-56.8151.512.8109.7F283 T286 V333 E334F283-R316 VanDerWaalsContact CE2-CD 3.49Å; F283-R316 HydrophobicContact CE2-CG 4.07Å; F283-R316 HydrophobicContact CZ-CB 4.13Å; F283-R316 HydrophobicContact CZ-CG 4.16Å; T286-R316 PolarHBondContact OG1-NH2 2.89Å; R316-V333 CarbonylContact O-C 3.26Å; R316-V333 WeakPolarHBondContact O-CA 3.16Å; R316-E334 HydrophobicContact CB-CB 4.03Å; R316-E334 IonicContact CZ-OE2 2.71Å; R316-E334 PolarHBondContact N-O 2.79Å; R316-E334 IonicContact NE-OE2 3.58Å; R316-E334 IonicContact NH1-OE2 3.28Å; R316-E334 IonicContact NH2-OE2 3.68Å; R316-E334 PolarHBondContact O-N 2.74Å
317V83.4Confident78.5Confident11 Ų1170.5 Ų70.57%0.06739%0.391CS..EExtended strand (participates in β ladder)trans-121.3131.1174.2177.10000106.9E302 I305 Y306 P314 I319 V333E302-V317 HydrophobicContact CB-CG1 4.46Å; E302-V317 HydrophobicContact CG-CG1 4.22Å; I305-V317 HydrophobicContact CB-CG1 4.15Å; I305-V317 HydrophobicContact CD1-CG1 3.58Å; I305-V317 HydrophobicContact CG1-CG1 4.47Å; I305-V317 HydrophobicContact CG2-CG1 3.9Å; I305-V317 HydrophobicContact CG2-CG2 4.1Å; Y306-V317 HydrophobicContact CE1-CG2 4.1Å; Y306-V317 HydrophobicContact CE2-CG2 4.07Å; P314-V317 HydrophobicContact CB-CG2 4.22Å; P314-V317 HydrophobicContact CG-CG2 4.03Å; V317-I319 HydrophobicContact CG1-CG1 4.44Å; V317-V333 HydrophobicContact CG1-CG2 4.19Å; V317-V333 HydrophobicContact CG2-CG1 4.17Å; V317-V333 HydrophobicContact CG2-CG2 4.18Å
318H81.8Confident78.1Confident81 Ų8167.7 Ų67.738%0.37538%0.378SS..EExtended strand (participates in β ladder)trans-128.7112176.3-176.866.3000109.3F283 A331 D332F283-H318 HydrophobicContact CD2-CB 3.99Å; F283-H318 HydrophobicContact CE2-CB 3.9Å; H318-A331 CarbonylContact O-C 3.56Å; H318-A331 WeakPolarHBondContact O-CA 3.15Å; H318-A331 WeakPolarHBondContact O-CB 3.45Å; H318-D332 PolarHBondContact N-O 2.99Å; H318-D332 PolarHBondContact O-N 2.74Å
319I84.6Confident78.1Confident23 Ų2366.5 Ų66.512%0.11837%0.373CS..EExtended strand (participates in β ladder)trans-88.4127.6176.6-56.1175.8000108.7E302 I305 V317 I321 V327 A331E302-I319 HydrophobicContact CG-CD1 3.9Å; E302-I319 HydrophobicContact CG-CG1 4.29Å; I305-I319 HydrophobicContact CD1-CD1 3.71Å; I305-I319 HydrophobicContact CD1-CG1 3.68Å; V317-I319 HydrophobicContact CG1-CG1 4.44Å; I319-I321 PolarHBondContact O-N 3.14Å; I319-V327 HydrophobicContact CG2-CB 4.37Å; I319-V327 HydrophobicContact CG2-CG1 4.03Å; I319-A331 HydrophobicContact CB-CB 4.39Å; I319-A331 HydrophobicContact CG1-CB 4.12Å
320E79.5Confident78.3Confident49 Ų4968.7 Ų68.723%0.22938%0.383CS..EExtended strand (participates in β ladder)trans-74126.5175.3-66.3-167.817200110.8T328 E330E320-T328 WeakPolarHBondContact CB-OG1 3.45Å; E320-T328 PolarHBondContact O-N 3.03Å; E320-T328 VanDerWaalsContact O-N 3.09Å; E320-T328 PolarHBondContact O-OG1 3.22Å; E320-T328 VanDerWaalsContact O-OG1 3.14Å; E320-E330 HydrophobicContact CB-CB 4.33Å; E320-E330 HydrophobicContact CG-CB 4.5Å; E320-E330 PolarHBondContact N-O 2.76Å
321I80.5Confident78.7Confident110 Ų11065.2 Ų65.256%0.56436%0.359SS*.EExtended strand (participates in β ladder)trans-113.7123.5177.4-54.1176.7000107.2I319 G325 V327I319-I321 PolarHBondContact O-N 3.14Å; I321-G325 VanDerWaalsContact CG2-C 3.43Å; I321-V327 HydrophobicContact CG1-CG1 4.28Å
322G76.4Confident79.1Confident11 Ų1160.8 Ų60.811%0.11333%0.329CS..  trans-64163.8178.800000111.9D324 G325 R326G322-D324 PolarHBondContact O-N 2.91Å; G322-G325 PolarHBondContact O-N 2.82Å; G322-R326 PolarHBondContact N-O 3.02Å
323P70.9Confident79.4Confident153 Ų15359.6 Ų59.699%0.99432%0.323SS*.THydrogen-bonded Turntrans-62.6-12.9179.724.8-33.5000113.8G325P323-G325 VanDerWaalsContact C-N 3.33Å
324D73.1Confident79.8Confident101 Ų10153.2 Ų53.254%0.5429%0.289SS..THydrogen-bonded Turntrans-88.94.7172.768.8-19.5000113.5G322 R326G322-D324 PolarHBondContact O-N 2.91Å; D324-R326 PolarHBondContact O-N 2.83Å; D324-R326 WeakPolarHBondContact OD1-CB 3.26Å; D324-R326 PolarHBondContact OD1-N 3.41Å; D324-R326 WeakPolarHBondContact OD2-CD 3.3Å; D324-R326 VanDerWaalsContact OD2-CG 3.23Å; D324-R326 WeakPolarHBondContact OD2-CG 3.49Å; D324-R326 IonicContact OD2-NE 3.59Å
325G72.4Confident79.9Confident60 Ų6052.8 Ų52.862%0.61929%0.286SS*.SBendtrans74.48-176.300000113.8I321 G322 P323I321-G325 VanDerWaalsContact CG2-C 3.43Å; G322-G325 PolarHBondContact O-N 2.82Å; P323-G325 VanDerWaalsContact C-N 3.33Å
326R73.3Confident80Confident182 Ų18252 Ų5269%0.68729%0.287SS*.  trans-91.7137.3176.6-61.6-172.7-175.7175.4-2.3110.2G322 D324 T328G322-R326 PolarHBondContact N-O 3.02Å; D324-R326 PolarHBondContact O-N 2.83Å; D324-R326 WeakPolarHBondContact OD1-CB 3.26Å; D324-R326 PolarHBondContact OD1-N 3.41Å; D324-R326 WeakPolarHBondContact OD2-CD 3.3Å; D324-R326 VanDerWaalsContact OD2-CG 3.23Å; D324-R326 WeakPolarHBondContact OD2-CG 3.49Å; D324-R326 IonicContact OD2-NE 3.59Å; R326-T328 PolarHBondContact O-N 3.45Å
327V77.5Confident80.1Confident36 Ų3650.1 Ų50.122%0.21829%0.286CS..EExtended strand (participates in β ladder)trans-60.6125.2170.7-67.70000109.1Y298 I319 I321 G329Y298-V327 HydrophobicContact CD1-CG2 4.22Å; Y298-V327 VanDerWaalsContact CD1-O 3.32Å; Y298-V327 WeakPolarHBondContact CD1-O 3.47Å; Y298-V327 WeakPolarHBondContact O-CG2 3.22Å; I319-V327 HydrophobicContact CG2-CB 4.37Å; I319-V327 HydrophobicContact CG2-CG1 4.03Å; I321-V327 HydrophobicContact CG1-CG1 4.28Å; V327-G329 PolarHBondContact O-N 3.31Å
328T76.1Confident79.9Confident58 Ų5852.5 Ų52.536%0.35630%0.297SS..EExtended strand (participates in β ladder)trans-74.4-11.9-177.556.50000111.6E320 R326 E330E320-T328 WeakPolarHBondContact CB-OG1 3.45Å; E320-T328 PolarHBondContact O-N 3.03Å; E320-T328 VanDerWaalsContact O-N 3.09Å; E320-T328 PolarHBondContact O-OG1 3.22Å; E320-T328 VanDerWaalsContact O-OG1 3.14Å; R326-T328 PolarHBondContact O-N 3.45Å; T328-E330 VanDerWaalsContact C-N 3.28Å; T328-E330 PolarHBondContact OG1-N 2.66Å
329G79.1Confident80Confident2 Ų256.2 Ų56.22%0.02131%0.314CS..EExtended strand (participates in β ladder)trans8016.3-173.100000112.3R294 G295 L296 V327R294-G329 CarbonylContact C-O 3.32Å; G295-G329 PolarHBondContact N-O 2.79Å; L296-G329 PolarHBondContact N-O 2.9Å; L296-G329 WeakPolarHBondContact O-CA 3.43Å; V327-G329 PolarHBondContact O-N 3.31Å
330E85.4Confident80Confident46 Ų4657.4 Ų57.422%0.21532%0.321CS..EExtended strand (participates in β ladder)trans-113.3141.4174.7-52.9-170.1158.200108.6M293 R294 E320 T328M293-E330 CarbonylContact O-C 3.56Å; M293-E330 VanDerWaalsContact O-CA 3.25Å; M293-E330 WeakPolarHBondContact O-CA 3.4Å; R294-E330 HydrophobicContact CG-CG 4.23Å; R294-E330 IonicContact CZ-OE1 3.49Å; R294-E330 IonicContact NE-OE1 3.37Å; R294-E330 PolarHBondContact NE-OE1 2.98Å; R294-E330 IonicContact NH2-OE1 3.54Å; R294-E330 PolarHBondContact NH2-OE1 2.83Å; E320-E330 HydrophobicContact CB-CB 4.33Å; E320-E330 HydrophobicContact CG-CB 4.5Å; E320-E330 PolarHBondContact N-O 2.76Å; T328-E330 VanDerWaalsContact C-N 3.28Å; T328-E330 PolarHBondContact OG1-N 2.66Å
331A86.4Confident80.1Confident0 Ų055.1 Ų55.10%031%0.31CS..EExtended strand (participates in β ladder)trans-152146.1176.300000111M293 L296 I305 H318 I319M293-A331 WeakPolarHBondContact CA-O 3.34Å; M293-A331 HydrophobicContact CB-CB 4.45Å; M293-A331 WeakPolarHBondContact CB-O 3.42Å; M293-A331 PolarHBondContact N-O 2.91Å; M293-A331 PolarHBondContact O-N 3.15Å; L296-A331 HydrophobicContact CD1-CB 3.32Å; I305-A331 HydrophobicContact CD1-CB 4.23Å; H318-A331 CarbonylContact O-C 3.56Å; H318-A331 WeakPolarHBondContact O-CA 3.15Å; H318-A331 WeakPolarHBondContact O-CB 3.45Å; I319-A331 HydrophobicContact CB-CB 4.39Å; I319-A331 HydrophobicContact CG1-CB 4.12Å
332D85.6Confident80.2Confident17 Ų1752.9 Ų52.99%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-101.9132.9171.9-67.1-45.6000110.5H292 H318H292-D332 IonicContact CE1-OD1 3.82Å; H292-D332 IonicContact CG-OD1 3.55Å; H292-D332 IonicContact ND1-OD1 3.39Å; H292-D332 PolarHBondContact ND1-OD1 3.02Å; H318-D332 PolarHBondContact N-O 2.99Å; H318-D332 PolarHBondContact O-N 2.74Å
333V86.8Confident80.5Confident0 Ų054.2 Ų54.20%031%0.312CS..EExtended strand (participates in β ladder)trans-122.9119179.8-178.40000109.7C290 V291 M293 I305 F309 P314 R316 V317 F335C290-V333 CarbonylContact C-O 3.56Å; C290-V333 WeakPolarHBondContact CA-O 3.13Å; V291-V333 PolarHBondContact N-O 3.49Å; V291-V333 PolarHBondContact O-N 3.18Å; M293-V333 HydrophobicContact CG-CG2 3.95Å; M293-V333 HydrophobicContact SD-CB 4.5Å; M293-V333 HydrophobicContact SD-CG2 3.38Å; M293-V333 WeakPolarHBondContact SD-CG2 3.31Å; I305-V333 HydrophobicContact CG2-CG2 3.87Å; F309-V333 HydrophobicContact CD2-CG1 4.39Å; F309-V333 HydrophobicContact CE2-CB 4.39Å; F309-V333 HydrophobicContact CE2-CG1 4.15Å; F309-V333 HydrophobicContact CE2-CG2 4.01Å; P314-V333 HydrophobicContact CB-CG1 3.26Å; P314-V333 HydrophobicContact CG-CG1 3.97Å; R316-V333 CarbonylContact O-C 3.26Å; R316-V333 WeakPolarHBondContact O-CA 3.16Å; V317-V333 HydrophobicContact CG1-CG2 4.19Å; V317-V333 HydrophobicContact CG2-CG1 4.17Å; V317-V333 HydrophobicContact CG2-CG2 4.18Å; V333-F335 HydrophobicContact CB-CE2 4.22Å; V333-F335 HydrophobicContact CG1-CD2 4.3Å; V333-F335 HydrophobicContact CG1-CE1 4.48Å; V333-F335 HydrophobicContact CG1-CE2 3.61Å; V333-F335 HydrophobicContact CG1-CZ 3.72Å
334E84.4Confident81.1Confident0 Ų047 Ų470%026%0.264CS..EExtended strand (participates in β ladder)trans-93.7133177.8-170.4177.3-178.300110.6F283 T286 T287 P314 V315 R316F283-E334 HydrophobicContact CE1-CB 3.97Å; F283-E334 HydrophobicContact CE1-CG 4.46Å; F283-E334 HydrophobicContact CZ-CB 3.87Å; T286-E334 WeakPolarHBondContact CA-OE1 3.33Å; T286-E334 PolarHBondContact N-OE1 3.21Å; T286-E334 PolarHBondContact OG1-OE1 2.98Å; T286-E334 PolarHBondContact OG1-OE2 2.8Å; T287-E334 WeakPolarHBondContact CB-OE1 3.21Å; T287-E334 WeakPolarHBondContact CG2-OE1 3.33Å; T287-E334 PolarHBondContact N-OE1 3.39Å; T287-E334 WeakPolarHBondContact OG1-CG 3.49Å; T287-E334 PolarHBondContact OG1-OE1 2.76Å; P314-E334 CarbonylContact C-O 3.51Å; P314-E334 WeakPolarHBondContact CA-O 3.46Å; V315-E334 PolarHBondContact N-O 3.45Å; R316-E334 HydrophobicContact CB-CB 4.03Å; R316-E334 IonicContact CZ-OE2 2.71Å; R316-E334 PolarHBondContact N-O 2.79Å; R316-E334 IonicContact NE-OE2 3.58Å; R316-E334 IonicContact NH1-OE2 3.28Å; R316-E334 IonicContact NH2-OE2 3.68Å; R316-E334 PolarHBondContact O-N 2.74Å
335F83.7Confident81.5Confident0 Ų044.7 Ų44.70%025%0.251CS..  trans-111.9151.6176.1-69.8-84.2000110.9T287 H289 V291 F309 L312 P314 V333 T337 D340 A341 A344T287-F335 WeakPolarHBondContact CB-O 3.13Å; T287-F335 PolarHBondContact OG1-O 3.14Å; H289-F335 PolarHBondContact O-N 3.46Å; V291-F335 HydrophobicContact CB-CD2 4.36Å; V291-F335 HydrophobicContact CB-CE2 3.89Å; V291-F335 HydrophobicContact CG2-CD2 3.75Å; V291-F335 HydrophobicContact CG2-CE2 3.56Å; F309-F335 AromaticContact CD1-CZ 3.98Å; F309-F335 HydrophobicContact CD1-CZ 3.98Å; F309-F335 HydrophobicContact CD2-CZ 4.4Å; F309-F335 HydrophobicContact CE1-CZ 4.18Å; F309-F335 HydrophobicContact CG-CZ 4.11Å; F309-F335 HydrophobicContact CZ-CZ 4.44Å; L312-F335 HydrophobicContact CB-CE1 4.19Å; P314-F335 HydrophobicContact CB-CD1 4.25Å; P314-F335 HydrophobicContact CB-CE1 3.91Å; P314-F335 HydrophobicContact CB-CZ 4.23Å; V333-F335 HydrophobicContact CB-CE2 4.22Å; V333-F335 HydrophobicContact CG1-CD2 4.3Å; V333-F335 HydrophobicContact CG1-CE1 4.48Å; V333-F335 HydrophobicContact CG1-CE2 3.61Å; V333-F335 HydrophobicContact CG1-CZ 3.72Å; F335-T337 VanDerWaalsContact C-N 3.28Å; F335-T337 PolarHBondContact O-N 3.32Å; F335-D340 HydrophobicContact CB-CB 4.1Å; F335-D340 HydrophobicContact CD1-CB 3.86Å; F335-D340 HydrophobicContact CG-CB 4.26Å; F335-A341 HydrophobicContact CB-CB 4.14Å; F335-A341 HydrophobicContact CD2-CB 3.96Å; F335-A341 HydrophobicContact CG-CB 4.25Å; F335-A344 HydrophobicContact CE1-CB 4.16Å; F335-A344 HydrophobicContact CE2-CB 3.81Å; F335-A344 HydrophobicContact CZ-CB 3.51Å
336A81Confident81.9Confident56 Ų5646.9 Ų46.946%0.46326%0.257SS..SBendtrans-67.4-32.6179.800000112.1V315V315-A336 HydrophobicContact CG2-CB 3.63Å; V315-A336 VanDerWaalsContact CG2-N 3.34Å
337T80.7Confident82Confident56 Ų5641.1 Ų41.134%0.34424%0.237SC..SBendtrans-130.7153.9-174.971.80000111.3F335 E339 D340 A341F335-T337 VanDerWaalsContact C-N 3.28Å; F335-T337 PolarHBondContact O-N 3.32Å; T337-E339 PolarHBondContact O-N 3.04Å; T337-D340 PolarHBondContact O-N 2.84Å; T337-D340 WeakPolarHBondContact OG1-CB 3.48Å; T337-D340 PolarHBondContact OG1-N 2.75Å; T337-D340 PolarHBondContact OG1-OD2 3.47Å; T337-A341 PolarHBondContact O-N 2.86Å
338H79.8Confident82.2Confident61 Ų6142 Ų4228%0.28224%0.241SC..Hα-helixtrans-59.7-36.1169.8-175.853.7000111.9H289 A341 V342 S363H289-H338 PolarHBondContact CD2-N 3.48Å; H289-H338 VanDerWaalsContact CD2-N 3.3Å; H338-A341 PolarHBondContact O-N 3.14Å; H338-V342 WeakPolarHBondContact O-CG2 3.18Å; H338-V342 PolarHBondContact O-N 3.21Å; H338-S363 WeakPolarHBondContact ND1-CB 3.48Å; H338-S363 PolarHBondContact ND1-OG 3.13Å
339E83.2Confident82.3Confident159 Ų15945.1 Ų45.174%0.74325%0.249SC*.Hα-helixtrans-62.4-45.1-179.2-174.9174.3-177.300111.3T337 A341 V342 A343T337-E339 PolarHBondContact O-N 3.04Å; E339-A341 VanDerWaalsContact C-N 3.33Å; E339-A341 PolarHBondContact O-N 3.44Å; E339-V342 PolarHBondContact O-N 3.16Å; E339-A343 WeakPolarHBondContact O-CB 3.26Å; E339-A343 PolarHBondContact O-N 3.43Å
340D84.1Confident82.3Confident49 Ų4946.7 Ų46.726%0.26226%0.262SS..Hα-helixtrans-64.1-38.4175.9-65.5-40.9000111.8F335 T337 A343 A344F335-D340 HydrophobicContact CB-CB 4.1Å; F335-D340 HydrophobicContact CD1-CB 3.86Å; F335-D340 HydrophobicContact CG-CB 4.26Å; T337-D340 PolarHBondContact O-N 2.84Å; T337-D340 WeakPolarHBondContact OG1-CB 3.48Å; T337-D340 PolarHBondContact OG1-N 2.75Å; T337-D340 PolarHBondContact OG1-OD2 3.47Å; D340-A343 PolarHBondContact O-N 2.86Å; D340-A344 WeakPolarHBondContact O-CB 3.49Å; D340-A344 PolarHBondContact O-N 2.83Å
341A82.7Confident81.7Confident0 Ų050 Ų500%028%0.281CS..Hα-helixtrans-65.6-37.4176.200000112.1V291 F335 T337 H338 E339 A344 M345 L361V291-A341 HydrophobicContact CG2-CB 3.93Å; F335-A341 HydrophobicContact CB-CB 4.14Å; F335-A341 HydrophobicContact CD2-CB 3.96Å; F335-A341 HydrophobicContact CG-CB 4.25Å; T337-A341 PolarHBondContact O-N 2.86Å; H338-A341 PolarHBondContact O-N 3.14Å; E339-A341 VanDerWaalsContact C-N 3.33Å; E339-A341 PolarHBondContact O-N 3.44Å; A341-A344 WeakPolarHBondContact O-CB 3.27Å; A341-A344 PolarHBondContact O-N 2.99Å; A341-M345 WeakPolarHBondContact O-CG 3.12Å; A341-M345 PolarHBondContact O-N 2.86Å; A341-L361 HydrophobicContact CB-CD1 3.62Å
342V82.6Confident80.9Confident64 Ų6450.7 Ų50.739%0.38828%0.284SS..Hα-helixtrans-72.4-38.9174.7173.40000111.3H338 E339 A344 M345 L361H338-V342 WeakPolarHBondContact O-CG2 3.18Å; H338-V342 PolarHBondContact O-N 3.21Å; E339-V342 PolarHBondContact O-N 3.16Å; V342-A344 PolarHBondContact O-N 3.46Å; V342-M345 WeakPolarHBondContact O-CB 3.42Å; V342-M345 PolarHBondContact O-N 2.75Å; V342-M345 VanDerWaalsContact O-N 3.16Å; V342-L361 HydrophobicContact CG2-CD2 4.04Å
343A82.9Confident80.3Confident39 Ų3955.7 Ų55.732%0.32231%0.308SS..Hα-helixtrans-61.2-37.8172.600000111L312 E339 D340 M345 S346L312-A343 HydrophobicContact CD1-CB 3.87Å; L312-A343 HydrophobicContact CD2-CB 3.87Å; E339-A343 WeakPolarHBondContact O-CB 3.26Å; E339-A343 PolarHBondContact O-N 3.43Å; D340-A343 PolarHBondContact O-N 2.86Å; A343-M345 VanDerWaalsContact C-N 3.32Å; A343-M345 PolarHBondContact O-N 3.4Å; A343-S346 VanDerWaalsContact O-CB 3.27Å; A343-S346 WeakPolarHBondContact O-CB 3.34Å; A343-S346 PolarHBondContact O-N 3.37Å; A343-S346 VanDerWaalsContact O-N 3.14Å; A343-S346 PolarHBondContact O-OG 2.83Å
344A82.6Confident79.5Confident0 Ų063 Ų630%034%0.341CS..Hα-helixtrans-62.6-37.1174.900000112.3F309 L312 F335 D340 A341 V342 S346 K347 L359F309-A344 HydrophobicContact CD1-CB 3.84Å; F309-A344 HydrophobicContact CE1-CB 3.7Å; L312-A344 HydrophobicContact CD1-CB 3.85Å; L312-A344 VanDerWaalsContact CD1-N 3.33Å; F335-A344 HydrophobicContact CE1-CB 4.16Å; F335-A344 HydrophobicContact CE2-CB 3.81Å; F335-A344 HydrophobicContact CZ-CB 3.51Å; D340-A344 WeakPolarHBondContact O-CB 3.49Å; D340-A344 PolarHBondContact O-N 2.83Å; A341-A344 WeakPolarHBondContact O-CB 3.27Å; A341-A344 PolarHBondContact O-N 2.99Å; V342-A344 PolarHBondContact O-N 3.46Å; A344-S346 PolarHBondContact O-N 2.71Å; A344-K347 WeakPolarHBondContact O-CB 3.36Å; A344-K347 PolarHBondContact O-N 2.85Å; A344-L359 WeakPolarHBondContact O-CD1 3.26Å
345M81.6Confident79.1Confident53 Ų5366 Ų6626%0.26135%0.352SS..Hα-helixtrans-61.9-22.3175.2-68.2-61.8-65.700113.7V291 A341 V342 A343 K347 D348 L359 L361V291-M345 HydrophobicContact CG1-SD 4.33Å; A341-M345 WeakPolarHBondContact O-CG 3.12Å; A341-M345 PolarHBondContact O-N 2.86Å; V342-M345 WeakPolarHBondContact O-CB 3.42Å; V342-M345 PolarHBondContact O-N 2.75Å; V342-M345 VanDerWaalsContact O-N 3.16Å; A343-M345 VanDerWaalsContact C-N 3.32Å; A343-M345 PolarHBondContact O-N 3.4Å; M345-K347 PolarHBondContact O-N 3.49Å; M345-K347 VanDerWaalsContact O-N 3.15Å; M345-D348 WeakPolarHBondContact O-CB 3.44Å; M345-D348 PolarHBondContact O-N 3.07Å; M345-L359 WeakPolarHBondContact CE-O 3.4Å; M345-L359 HydrophobicContact SD-CB 3.82Å; M345-L361 HydrophobicContact CE-CB 4.15Å; M345-L361 HydrophobicContact CG-CB 3.86Å; M345-L361 HydrophobicContact CG-CD1 4.26Å; M345-L361 HydrophobicContact CG-CD2 4.39Å; M345-L361 HydrophobicContact CG-CG 4.4Å; M345-L361 HydrophobicContact SD-CB 3.69Å; M345-L361 PolarHBondContact SD-N 3.47Å
346S80.6Confident78.9Confident107 Ų10772.8 Ų72.875%0.74838%0.379SS*.THydrogen-bonded Turntrans-65.5-15.2174.3-57.60000112.7A343 A344A343-S346 VanDerWaalsContact O-CB 3.27Å; A343-S346 WeakPolarHBondContact O-CB 3.34Å; A343-S346 PolarHBondContact O-N 3.37Å; A343-S346 VanDerWaalsContact O-N 3.14Å; A343-S346 PolarHBondContact O-OG 2.83Å; A344-S346 PolarHBondContact O-N 2.71Å
347K75.1Confident79.1Confident60 Ų6070.1 Ų70.126%0.26136%0.357SS..THydrogen-bonded Turntrans-97.611.1173.6-63-178.3171.5-178.80113.1F308 F309 S310 A344 M345 A350 L359F308-K347 HydrophobicContact CE1-CB 4.39Å; F308-K347 HydrophobicContact CZ-CB 4.41Å; F308-K347 WeakPolarHBondContact O-CD 3.38Å; F308-K347 PolarHBondContact O-NZ 2.97Å; F309-K347 VanDerWaalsContact C-NZ 3.26Å; F309-K347 PolarHBondContact O-NZ 3.48Å; S310-K347 PolarHBondContact O-NZ 2.78Å; A344-K347 WeakPolarHBondContact O-CB 3.36Å; A344-K347 PolarHBondContact O-N 2.85Å; M345-K347 PolarHBondContact O-N 3.49Å; M345-K347 VanDerWaalsContact O-N 3.15Å; K347-A350 WeakPolarHBondContact O-CB 3.26Å; K347-A350 PolarHBondContact O-N 2.74Å; K347-A350 VanDerWaalsContact O-N 3.14Å; K347-L359 HydrophobicContact CB-CD1 4.35Å
348D81.3Confident79.3Confident56 Ų5670.3 Ų70.330%0.29935%0.354SS..THydrogen-bonded Turntrans-57.2139172.9-179.949.2000110.7M345 A350 E358 L359M345-D348 WeakPolarHBondContact O-CB 3.44Å; M345-D348 PolarHBondContact O-N 3.07Å; D348-A350 PolarHBondContact O-N 3.26Å; D348-E358 WeakPolarHBondContact OD1-CA 3.48Å; D348-L359 HydrophobicContact CB-CB 4.29Å; D348-L359 PolarHBondContact OD1-N 3.43Å
349K78.5Confident79.5Confident122 Ų12267.7 Ų67.753%0.5334%0.342SS..THydrogen-bonded Turntrans6314.6-175.3-58.9172.3-169.9-59.30114.8V357 E358K349-V357 WeakPolarHBondContact CA-O 3.42Å; K349-V357 PolarHBondContact N-O 2.76Å; K349-E358 IonicContact NZ-OE1 3.73Å; K349-E358 PolarHBondContact NZ-OE1 3.46Å
350A78.8Confident79.6Confident35 Ų3564 Ų6429%0.28932%0.324SS..  trans-69.2146.9169.400000110.8F308 K347 D348 M352 V357F308-A350 HydrophobicContact CE2-CB 3.72Å; F308-A350 HydrophobicContact CZ-CB 3.78Å; K347-A350 WeakPolarHBondContact O-CB 3.26Å; K347-A350 PolarHBondContact O-N 2.74Å; K347-A350 VanDerWaalsContact O-N 3.14Å; D348-A350 PolarHBondContact O-N 3.26Å; A350-M352 PolarHBondContact O-N 3.45Å; A350-V357 PolarHBondContact O-N 3.26Å
351N73.4Confident79.4Confident117 Ų11764.6 Ų64.663%0.62633%0.327SS*.EExtended strand (participates in β ladder)trans-83.3119178.8-68.2-28.4000110.2R355 Y356N351-R355 CarbonylContact C-O 3.5Å; N351-R355 WeakPolarHBondContact CA-O 3.38Å; N351-Y356 WeakPolarHBondContact OD1-CA 3.43Å; N351-Y356 VanDerWaalsContact OD1-CB 3.31Å; N351-Y356 WeakPolarHBondContact OD1-CB 3.45Å
352M70.5Confident78.8Confident13 Ų1368.9 Ų68.96%0.06435%0.349CS..EExtended strand (participates in β ladder)trans-95.3104.5164.9-168.4-175-77.100107.7M293 L296 P297 A300 I305 F308 A350 H354 R355 V357M293-M352 HydrophobicContact CE-CE 4.21Å; L296-M352 HydrophobicContact CD2-CE 3.5Å; L296-M352 HydrophobicContact CD2-SD 3.49Å; L296-M352 WeakPolarHBondContact CD2-SD 3.4Å; P297-M352 HydrophobicContact CG-CB 4.41Å; P297-M352 HydrophobicContact CG-CG 4.25Å; P297-M352 WeakPolarHBondContact CG-O 3.47Å; P297-M352 HydrophobicContact CG-SD 4.37Å; A300-M352 HydrophobicContact CB-SD 4.21Å; I305-M352 HydrophobicContact CG1-CE 4.45Å; F308-M352 HydrophobicContact CB-CE 3.41Å; F308-M352 VanDerWaalsContact CB-CE 3.41Å; F308-M352 HydrophobicContact CD1-CE 3.93Å; F308-M352 HydrophobicContact CD2-CB 4.21Å; F308-M352 HydrophobicContact CD2-CE 3.65Å; F308-M352 HydrophobicContact CD2-CG 4.4Å; F308-M352 HydrophobicContact CE2-CB 4.3Å; F308-M352 HydrophobicContact CE2-CE 4.34Å; F308-M352 HydrophobicContact CG-CE 3.39Å; A350-M352 PolarHBondContact O-N 3.45Å; M352-H354 PolarHBondContact O-N 3.19Å; M352-R355 CarbonylContact C-O 3.53Å; M352-R355 PolarHBondContact N-O 3.41Å; M352-R355 PolarHBondContact O-N 3.43Å; M352-R355 VanDerWaalsContact O-O 3.11Å; M352-V357 HydrophobicContact CB-CG2 3.41Å; M352-V357 VanDerWaalsContact CB-CG2 3.41Å; M352-V357 HydrophobicContact CE-CG2 4.33Å; M352-V357 HydrophobicContact CG-CG2 4.48Å; M352-V357 HydrophobicContact SD-CG2 4.39Å
353Q71.4Confident77.6Confident123 Ų12366.9 Ų66.958%0.57534%0.338SS*.THydrogen-bonded Turntrans59.5-113.8-171-53.3175.7-6.600111.9P297P297-Q353 HydrophobicContact CG-CB 4.46Å
354H71.4Confident76.3Confident154 Ų15469.8 Ų69.871%0.71335%0.352SS*.THydrogen-bonded Turntrans-103.18.4-178.162-82.3000112.7M352M352-H354 PolarHBondContact O-N 3.19Å
355R74.3Confident74.6Confident61 Ų6174 Ų7423%0.2339%0.387CS..EExtended strand (participates in β ladder)trans-122138.2177.8-58-129.7-51.5-175.22.7110.5G295 L296 P297 N351 M352G295-R355 WeakPolarHBondContact O-CB 3.35Å; G295-R355 PolarHBondContact O-NE 3.24Å; G295-R355 PolarHBondContact O-NH2 2.93Å; G295-R355 VanDerWaalsContact O-NH2 3.1Å; L296-R355 PolarHBondContact O-NH2 3.45Å; P297-R355 HydrophobicContact CG-CB 4.35Å; P297-R355 HydrophobicContact CG-CG 4.34Å; N351-R355 CarbonylContact C-O 3.5Å; N351-R355 WeakPolarHBondContact CA-O 3.38Å; M352-R355 CarbonylContact C-O 3.53Å; M352-R355 PolarHBondContact N-O 3.41Å; M352-R355 PolarHBondContact O-N 3.43Å; M352-R355 VanDerWaalsContact O-O 3.11Å
356Y80.9Confident72.9Confident144 Ų14474.6 Ų74.657%0.56541%0.407SS*.EExtended strand (participates in β ladder)trans-76.3138.7167.160.3-91.6000109.1N351 E358N351-Y356 WeakPolarHBondContact OD1-CA 3.43Å; N351-Y356 VanDerWaalsContact OD1-CB 3.31Å; N351-Y356 WeakPolarHBondContact OD1-CB 3.45Å; Y356-E358 HydrophobicContact CD2-CG 4Å; Y356-E358 HydrophobicContact CE2-CG 4.12Å
357V84.9Confident71.2Confident0 Ų072.3 Ų72.30%040%0.395CS..  trans-106.4128.6178.2178.10000108.2M293 R294 L296 F308 K349 A350 M352 L359M293-V357 HydrophobicContact CB-CG1 4.44Å; M293-V357 HydrophobicContact CE-CG1 3.67Å; R294-V357 CarbonylContact O-C 3.53Å; R294-V357 WeakPolarHBondContact O-CA 3.45Å; L296-V357 HydrophobicContact CD2-CG1 4.35Å; L296-V357 HydrophobicContact CD2-CG2 4.23Å; F308-V357 HydrophobicContact CE1-CG1 4.46Å; F308-V357 HydrophobicContact CZ-CB 4.11Å; F308-V357 HydrophobicContact CZ-CG1 4.33Å; K349-V357 WeakPolarHBondContact CA-O 3.42Å; K349-V357 PolarHBondContact N-O 2.76Å; A350-V357 PolarHBondContact O-N 3.26Å; M352-V357 HydrophobicContact CB-CG2 3.41Å; M352-V357 VanDerWaalsContact CB-CG2 3.41Å; M352-V357 HydrophobicContact CE-CG2 4.33Å; M352-V357 HydrophobicContact CG-CG2 4.48Å; M352-V357 HydrophobicContact SD-CG2 4.39Å; V357-L359 HydrophobicContact CG1-CD2 3.96Å
358E83.8Confident69.7Low60 Ų6074.4 Ų74.428%0.2842%0.417SS..EExtended strand (participates in β ladder)trans-100.3132175-60.8-170.4101.800108.9M293 R294 D348 K349 Y356 F360M293-E358 CarbonylContact C-O 3.55Å; M293-E358 WeakPolarHBondContact CA-O 3.46Å; R294-E358 PolarHBondContact N-O 2.82Å; R294-E358 PolarHBondContact O-N 3.45Å; D348-E358 WeakPolarHBondContact OD1-CA 3.48Å; K349-E358 IonicContact NZ-OE1 3.73Å; K349-E358 PolarHBondContact NZ-OE1 3.46Å; Y356-E358 HydrophobicContact CD2-CG 4Å; Y356-E358 HydrophobicContact CE2-CG 4.12Å; E358-F360 HydrophobicContact CB-CE2 3.88Å; E358-F360 HydrophobicContact CB-CZ 4.21Å
359L85.9Confident67.7Low5 Ų575.2 Ų75.23%0.02644%0.439CS..EExtended strand (participates in β ladder)trans-111.1134.9179.5-57.1-179.8000109V291 H292 M293 F308 F309 A344 M345 K347 D348 V357V291-L359 HydrophobicContact CG1-CB 3.98Å; V291-L359 HydrophobicContact CG1-CD2 4.22Å; H292-L359 CarbonylContact O-C 3.6Å; H292-L359 WeakPolarHBondContact O-CA 3.34Å; M293-L359 HydrophobicContact CB-CD2 4.08Å; M293-L359 HydrophobicContact CE-CD2 3.78Å; M293-L359 HydrophobicContact CG-CD2 3.57Å; M293-L359 HydrophobicContact SD-CD2 4.37Å; F308-L359 HydrophobicContact CE1-CD1 4.36Å; F308-L359 HydrophobicContact CE1-CD2 4.46Å; F309-L359 HydrophobicContact CE1-CD1 3.84Å; F309-L359 HydrophobicContact CE1-CD2 4.31Å; F309-L359 HydrophobicContact CZ-CD1 4.21Å; F309-L359 HydrophobicContact CZ-CD2 3.83Å; A344-L359 WeakPolarHBondContact O-CD1 3.26Å; M345-L359 WeakPolarHBondContact CE-O 3.4Å; M345-L359 HydrophobicContact SD-CB 3.82Å; K347-L359 HydrophobicContact CB-CD1 4.35Å; D348-L359 HydrophobicContact CB-CB 4.29Å; D348-L359 PolarHBondContact OD1-N 3.43Å; V357-L359 HydrophobicContact CG1-CD2 3.96Å
360F83.6Confident65.8Low83 Ų8373.3 Ų73.336%0.36445%0.454SS..EExtended strand (participates in β ladder)trans-121.8116.7177.4-60.2-88.2000107.9V291 H292 R294 E358 N362V291-F360 CarbonylContact C-O 3.51Å; V291-F360 WeakPolarHBondContact CA-O 3.49Å; H292-F360 HydrophobicContact CB-CB 4.19Å; H292-F360 AromaticContact CD2-CD2 3.94Å; H292-F360 PolarHBondContact N-O 3.3Å; H292-F360 PolarHBondContact O-N 3.05Å; R294-F360 HydrophobicContact CB-CE2 4.13Å; R294-F360 VanDerWaalsContact CD-CE2 3.48Å; R294-F360 HydrophobicContact CG-CD2 4.17Å; R294-F360 HydrophobicContact CG-CE2 3.81Å; E358-F360 HydrophobicContact CB-CE2 3.88Å; E358-F360 HydrophobicContact CB-CZ 4.21Å; F360-N362 PolarHBondContact O-N 3.13Å; F360-N362 PolarHBondContact O-OD1 2.8Å
361L79.7Confident64Low61 Ų6176 Ų7632%0.31948%0.476SS..EExtended strand (participates in β ladder)trans-74.8109.5177.8-17564000109.6V291 A341 V342 M345 S363V291-L361 HydrophobicContact CG2-CD1 3.9Å; A341-L361 HydrophobicContact CB-CD1 3.62Å; V342-L361 HydrophobicContact CG2-CD2 4.04Å; M345-L361 HydrophobicContact CE-CB 4.15Å; M345-L361 HydrophobicContact CG-CB 3.86Å; M345-L361 HydrophobicContact CG-CD1 4.26Å; M345-L361 HydrophobicContact CG-CD2 4.39Å; M345-L361 HydrophobicContact CG-CG 4.4Å; M345-L361 HydrophobicContact SD-CB 3.69Å; M345-L361 PolarHBondContact SD-N 3.47Å; L361-S363 VanDerWaalsContact C-N 3.34Å
362N71.1Confident62.1Low89 Ų8981.1 Ų81.148%0.47649%0.488SS..EExtended strand (participates in β ladder)trans-102.252.7172.3-70.226.7000108.9C290 F360C290-N362 CarbonylContact O-C 3.12Å; C290-N362 VanDerWaalsContact O-CA 3.26Å; C290-N362 WeakPolarHBondContact O-CA 3.16Å; C290-N362 PolarHBondContact O-N 3.38Å; C290-N362 WeakPolarHBondContact SG-CB 3.22Å; C290-N362 PolarHBondContact SG-O 3.18Å; F360-N362 PolarHBondContact O-N 3.13Å; F360-N362 PolarHBondContact O-OD1 2.8Å
363S57.9Low60.3Low22 Ų2284.4 Ų84.415%0.15453%0.525CS..EExtended strand (participates in β ladder)trans-112123.8179.5-177.70000111.1H289 H338 L361 A365H289-S363 PolarHBondContact ND1-OG 3.16Å; H338-S363 WeakPolarHBondContact ND1-CB 3.48Å; H338-S363 PolarHBondContact ND1-OG 3.13Å; L361-S363 VanDerWaalsContact C-N 3.34Å; S363-A365 PolarHBondContact O-N 3.37Å
364T54.1Low58.4Low100 Ų10083.5 Ų83.561%0.61353%0.532SS*.  trans-81.3112.1168.8-60.40000108.7G366 A367T364-G366 PolarHBondContact O-N 3.08Å; T364-A367 PolarHBondContact O-N 3.01Å
365A47.2Very low56.6Low88 Ų8883.4 Ų83.473%0.72753%0.533SS*.THydrogen-bonded Turntrans-68.125.4-179.600000114.9S363S363-A365 PolarHBondContact O-N 3.37Å
366G46.4Very low54.6Low66 Ų6689.2 Ų89.268%0.6856%0.564SS**THydrogen-bonded Turntrans-141.47-178.600000114.7T364 S368T364-G366 PolarHBondContact O-N 3.08Å; G366-S368 VanDerWaalsContact C-N 3.34Å
367A45.5Very low52.3Low60 Ų6091.6 Ų91.650%0.49658%0.583SS.*  trans-90.25.2179.900000114.1T364T364-A367 PolarHBondContact O-N 3.01Å
368S42.5Very low49.7Very low104 Ų10495.2 Ų95.273%0.72762%0.62SS**SBendtrans-104.883.3175.2159.10000109.6G366G366-S368 VanDerWaalsContact C-N 3.34Å
369G40.9Very low47.2Very low73 Ų7395.7 Ų95.775%0.75364%0.642SS**SBendtrans160.273.7170.200000113.3
370G38.5Very low44.5Very low82 Ų82105 Ų10585%0.84569%0.688SS**  trans-176.144177.700000115.6
371A39.4Very low41.9Very low92 Ų92104.2 Ų104.276%0.7670%0.702SS**SBendtrans-151.443.9171.800000113.1
372Y34.7Very low39.5Very low223 Ų223109.6 Ų109.688%0.87573%0.73SS**SBendtrans-165.1126.5158.845.1-91.1000110.8
373G32.4Very low37.5Very low83 Ų83111.2 Ų111.286%0.85675%0.749SS**  trans101.669.316200000116.5
374S32Very low36.1Very low103 Ų103117 Ų11772%0.7278%0.778SS**  trans-82.6152.8149.562.60000109.7
375Q33Very low34.8Very low153 Ų153120.4 Ų120.472%0.71579%0.787SS**  trans97.2131.2172.4-93.283.3-8.200118.1
376M32.1Very low33.9Very low183 Ų183120.8 Ų120.890%0.90178%0.784SS**  trans86120.3161.6-31.5-164.1-160.400114
377M32.8Very low32.9Very low193 Ų193122.6 Ų122.695%0.95179%0.787SS**  cis-167.9156.622.2-155.1177.3-166.300109.6
378G30.6Very low32.1Very low76 Ų76130.8 Ų130.878%0.78481%0.806SS**  trans-59.6174.3-174.300000117.1
379G31.9Very low31.3Very low71 Ų71129.3 Ų129.373%0.73281%0.808SS**  111.1141.859.300000108.9
380M29.1Very low30.6Very low201 Ų201129.4 Ų129.499%0.9981%0.808SS**  trans89.5132.7-175.3-60.1172150.800115
381G28.8Very low30.8Very low65 Ų65132 Ų13267%0.6781%0.811SS**  cis113.5109.113.900000111.6
382L28.7Very low30.1Very low174 Ų174132 Ų13291%0.91181%0.81SS**  trans65.2125.7161.5-77.577.3000119.9
383S29.1Very low30Very low124 Ų124125.9 Ų125.987%0.86780%0.8SS**  174.7152.896.349.20000113.7
384N27.6Very low29.9Very low142 Ų142129.9 Ų129.976%0.75980%0.797SS**  trans-71.1147.8-177.4-170.324.9000112.8
385Q28.5Very low29.6Very low172 Ų172133.2 Ų133.280%0.80480%0.801SS**  174.1114.1128.7-94.7172.623.600114.2
386S27.5Very low29.3Very low96 Ų96133.9 Ų133.967%0.67181%0.809SS**  82.6138.7122-51.90000123.2
387S24.6Very low29.1Very low105 Ų105130.2 Ų130.273%0.73480%0.801SS**  trans88.4125.6145.7-79.20000117.7
388Y29Very low28.8Very low231 Ų231124.1 Ų124.191%0.90679%0.787SS**  cis-154.5161.513.2-129.7-96.4000110
389G25.9Very low28.5Very low74 Ų74122.9 Ų122.976%0.76377%0.774SS**  trans-56.4165.9-165.400000118.7
390G27Very low28.2Very low74 Ų74130.1 Ų130.176%0.76378%0.781SS**  cis111.6164.742.600000108.6
391P41.5Very low28.1Very low137 Ų137124.7 Ų124.789%0.8978%0.777SS**  cis-132.6-178.5-2937.6-18.8000113.4
392A26.3Very low28Very low91 Ų91125.2 Ų125.275%0.75278%0.782SS**  trans-73169.6178.700000115.6
393S31.3Very low27.9Very low96 Ų96119.4 Ų119.467%0.67176%0.764SS**  176.1121.3121.441.20000110.6
394Q31Very low27.9Very low167 Ų167124.7 Ų124.778%0.7877%0.767SS**  93.8107.7104.9-76.6171.86.700111.7
395Q26.3Very low27.9Very low172 Ų172122 Ų12280%0.80477%0.772SS**  80.1150.280.2-80.7-171.937.800113.7
396L27.1Very low27.9Very low168 Ų168117.2 Ų117.288%0.8877%0.769SS**  trans86.2142.5177.2-64122000115.4
397S26.8Very low28.1Very low106 Ų106121.5 Ų121.574%0.74178%0.779SS**  cis167.2127.1-15.2160.20000104.1
398G26.3Very low28.2Very low64 Ų64121.6 Ų121.666%0.6678%0.779SS**  trans78.4122.5145.300000119.4
399G24.3Very low28.2Very low50 Ų50115.3 Ų115.352%0.51577%0.769SS.*  126115.1114.200000119.7
400Y25.6Very low28.4Very low224 Ų224119.8 Ų119.888%0.87877%0.772SS**  trans69119.2135.613.1-91.9000122.8
401G27.2Very low28.6Very low86 Ų86122 Ų12289%0.88778%0.775SS**  trans83.3129.514300000115.8
402G27.7Very low27.8Very low76 Ų76118.3 Ų118.378%0.78476%0.763SS**  cis140.3130.415.400000107.2
403G25.7Very low28Very low52 Ų52125.7 Ų125.754%0.53677%0.773SS.*  trans130.7107.8154.800000121.1
404Y28.2Very low27.8Very low236 Ų236124.6 Ų124.693%0.92578%0.777SS**  trans73.6129.3133.5-8.9-80.7000123.8
405G28.7Very low27.8Very low85 Ų85123.9 Ų123.988%0.87678%0.778SS**  trans94.7128.215600000114.3
406G28.7Very low27.9Very low71 Ų71124.2 Ų124.273%0.73278%0.78SS**  cis132.311817.800000108.9
407Q30.4Very low27.9Very low187 Ų187120 Ų12087%0.87478%0.776SS**  trans78124.7161.8-67175-26.900121
408S27.2Very low27.9Very low106 Ų106118.9 Ų118.974%0.74177%0.774SS**  34.7148.3116-25.60000118.4
409S28.6Very low28Very low99 Ų99124.7 Ų124.769%0.69279%0.786SS**  cis167.1155.1-1.446.30000104.8
410M29.9Very low28.1Very low169 Ų169130 Ų13083%0.83380%0.803SS**  trans78.8115.5145.1-133.990.5148.800120.4
411S31.6Very low28.2Very low119 Ų119123.6 Ų123.683%0.83279%0.791SS**  25.8145.7128.3-49.60000122.6
412G25.9Very low28.2Very low60 Ų60123.1 Ų123.162%0.61977%0.774SS**  trans-175.5115.9146.800000116.4
413Y29.7Very low28.2Very low246 Ų246129 Ų12997%0.96577%0.774SS**  trans56.3152.5139-64.3-88.2000119.9
414G27.6Very low28.4Very low74 Ų74136.9 Ų136.976%0.76379%0.789SS**  cis170.3168.814.700000108.9
415N30.2Very low28.3Very low151 Ų151130.5 Ų130.581%0.80778%0.779SS**  trans-94.8166-169.2-170.115.3000113.5
416Q29.4Very low28.4Very low180 Ų180132.3 Ų132.384%0.84178%0.778SS**  trans97.1132.5153.7-78177.72.500123.5
417G26.3Very low28.4Very low78 Ų78132.1 Ų132.180%0.80478%0.776SS**  trans106147.9149.400000114.9
418A27.3Very low28.4Very low84 Ų84128.7 Ų128.769%0.69477%0.773SS**  cis-177.3151.7-16.500000105.8
419M28.6Very low28.6Very low186 Ų186135.6 Ų135.692%0.91678%0.783SS**  trans64.9129.5152.7-60.9166.4176.300121
420N26.3Very low28.8Very low162 Ų162135.6 Ų135.687%0.86679%0.788SS**  -178.915198.4-159.66.4000112.9
421S27.6Very low28.9Very low88 Ų88131.8 Ų131.862%0.61578%0.778SS**  trans-105.8158.9178.470.10000113.7
422S27.7Very low29Very low77 Ų77134.8 Ų134.854%0.53878%0.781SS.*  trans68.9124.8140.552.30000122.1
423Y27.3Very low29.3Very low198 Ų198135.2 Ų135.278%0.77679%0.786SS**  164150.3101.7-91-75.7000114.9
424Y29Very low29.5Very low219 Ų219129.7 Ų129.786%0.85978%0.778SS**  trans79.2144.7168.1-61.2-81.2000119.2
425S25.7Very low29.9Very low101 Ų101133.8 Ų133.871%0.70678%0.782SS**  cis-179.5158.7-18.7-175.70000109
426S30.9Very low29.8Very low124 Ų124130.5 Ų130.587%0.86778%0.783SS**  trans79.7138.3168.894.60000117.5
427G29.4Very low30Very low66 Ų66131.4 Ų131.468%0.6879%0.79SS**  cis172136.5-1.300000110.8
428S30.4Very low30.3Very low116 Ų116131.8 Ų131.881%0.81179%0.794SS**  trans61.2116.7145-54.60000121.9
429R31.7Very low30.5Very low251 Ų251131.8 Ų131.895%0.94780%0.802SS**  -175.5142.497.1-90.9170.8-167.9-1573112.6
430A31.5Very low30.9Very low98 Ų98131.8 Ų131.881%0.8180%0.802SS**  trans-81.7-174.8-176.800000112.5
431S33.3Very low31.5Very low89 Ų89129.2 Ų129.262%0.62280%0.797SS**  cis-172.9166.419.178.80000112.3
432M33.3Very low31.8Very low182 Ų182129.8 Ų129.890%0.89780%0.801SS**  trans72133.1152.7-65.3175.1-169.300118.2
433G31.1Very low32.1Very low69 Ų69134.8 Ų134.871%0.71182%0.818SS**  cis118.6137.110.700000111.7
434V35.1Very low32.7Very low131 Ų131130.3 Ų130.379%0.79482%0.816SS**  trans113.2107.9153.5-171.50000118.7
435N35.3Very low33.1Very low160 Ų160125 Ų12586%0.85681%0.81SS**  trans40.7143.4131-52.9-16000124.1
436G29.3Very low33.9Very low81 Ų81128.8 Ų128.884%0.83582%0.819SS**  trans-179.8104.615300000115.1
437M33.5Very low34.3Very low200 Ų200128.6 Ų128.699%0.98582%0.818SS**  trans-71.6158.6171.9-75155.670.400113.4
438G31.2Very low35Very low86 Ų86129.5 Ų129.589%0.88783%0.827SS**  trans128.4131.4138.500000117
439G32.1Very low35.5Very low84 Ų84127 Ų12787%0.86682%0.819SS**  trans148.382.6157.400000116.5
440M36.3Very low35.9Very low185 Ų185127.3 Ų127.391%0.91182%0.821SS**  trans-76.6147.4164.6-64.5156.462.500111.4
441S40.6Very low36.7Very low108 Ų108126 Ų12676%0.75582%0.816SS**  trans159.2103.6142.452.80000108.9
442S33Very low37.3Very low101 Ų101134.7 Ų134.771%0.70685%0.851SS**  75.4137.780.274.10000115.2
443M35Very low37.5Very low181 Ų181132.4 Ų132.489%0.89285%0.848SS**  trans83.2135.2164.2-63.1169.6145.200116
444S39.6Very low37.9Very low105 Ų105135.7 Ų135.773%0.73486%0.856SS**  cis-172.1145.8-1.932.10000109.7
445S37.5Very low38Very low106 Ų106135.9 Ų135.974%0.74186%0.859SS**  trans-45138.8158.149.20000115.6
446M41.9Very low38.2Very low181 Ų181134.5 Ų134.589%0.89286%0.859SS**  trans-155.3115141.8-63.4-174.8121.200105
447S40.3Very low38.7Very low120 Ų120137.9 Ų137.984%0.83986%0.861SS**  cis63.4122.446.380.60000115.4
448G42.6Very low39.1Very low85 Ų85133.7 Ų133.788%0.87685%0.852SS**  trans130.3111.2174.300000110.4
449G41.1Very low39.6Very low63 Ų63137.1 Ų137.165%0.64985%0.85SS**  cis124.612019.100000108.8
450W41.3Very low40.2Very low259 Ų259141.2 Ų141.298%0.98185%0.849SS**  trans38.5121.5151.9-53.882.6000118.2
451G47.1Very low40.6Very low69 Ų69137.6 Ų137.671%0.71184%0.844SS**  97105.656.500000109.9
452M46.8Very low40.6Very low273 Ų273140.3 Ų140.3100%1.34585%0.852SS**  trans173.20140.9-96.8-175.717700110

Retrieved 452 of 452 residues in 205.8 ms (Link to these results)

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