A0A096ND72_PAPAN Loading...

Heteroous nuclear ribonucleoprotein F

AlphaFold DB , UniProt , Accession A0A096ND72, Species PAPAN (Papio anubis, Olive baboon), Gene HNRNPF, Length 415 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low46.4Very low239 Ų239121.8 Ų121.8100%1.17772%0.715SS**  0118.40-67.9176.7-162.800106.5
2M38.4Very low49.5Very low195 Ų195111.8 Ų111.896%0.96166%0.656SS**  trans-70127.8172.9-67.4-170.1173.700108.1
3L38.4Very low52.5Low173 Ų173103.2 Ų103.291%0.90661%0.605SS**  trans-109118.1161.5-71.4172.6000106.3
4G31.8Very low55Low59 Ų5998.5 Ų98.561%0.60857%0.574SS**  trans-75.1179.8-166.300000114.9E6G4-E6 PolarHBondContact O-N 3.17Å
5P49Very low57.3Low134 Ų13491.9 Ų91.987%0.8754%0.535SS*.  trans-84.389.4176.934.4-28.5000109.2G7P5-G7 PolarHBondContact O-N 3.02Å
6E40.4Very low59.1Low176 Ų17694.1 Ų94.182%0.82253%0.532SS*.  trans-92.279.7168.7-71.3-87.2138.400108.2G4 G8G4-E6 PolarHBondContact O-N 3.17Å; E6-G8 PolarHBondContact O-N 3.41Å
7G40.9Very low60.6Low82 Ų8289.1 Ų89.185%0.84551%0.506SS*.  trans-70.455.1162.300000111.1P5P5-G7 PolarHBondContact O-N 3.02Å
8G40.5Very low62Low45 Ų4584.2 Ų84.246%0.46448%0.478SS..  trans-77.2123.6169.400000108.5E6 G10E6-G8 PolarHBondContact O-N 3.41Å; G8-G10 PolarHBondContact O-N 2.87Å
9E51.2Low63.1Low150 Ų15080.4 Ų80.470%0.70146%0.457SS*.  trans-54.192.6164.5-64.2-177.2148.500108F11E9-F11 PolarHBondContact O-N 3.01Å
10G62.3Low64Low21 Ų2185.3 Ų85.322%0.21647%0.467CS..  trans-60.8126.9177.100000108.2G8 V12G8-G10 PolarHBondContact O-N 2.87Å; G10-V12 VanDerWaalsContact C-N 3.31Å; G10-V12 PolarHBondContact O-N 3.24Å
11F81Confident64.8Low66 Ų6686.1 Ų86.129%0.28948%0.48SS..EExtended strand (participates in β ladder)trans-74.784.7-179.4-62.8-68.3000108.7E9 L61 E64 V67E9-F11 PolarHBondContact O-N 3.01Å; F11-L61 HydrophobicContact CB-CB 4.3Å; F11-L61 WeakPolarHBondContact O-CA 3.27Å; F11-L61 VanDerWaalsContact O-CB 3.32Å; F11-L61 WeakPolarHBondContact O-CB 3.1Å; F11-L61 PolarHBondContact O-N 2.95Å; F11-E64 HydrophobicContact CD1-CB 3.82Å; F11-E64 HydrophobicContact CD1-CG 4.05Å; F11-E64 HydrophobicContact CE1-CB 3.39Å; F11-E64 HydrophobicContact CE1-CG 3.68Å; F11-E64 HydrophobicContact CZ-CB 3.88Å; F11-V67 HydrophobicContact CB-CG2 3.64Å; F11-V67 HydrophobicContact CD1-CG2 4.3Å; F11-V67 HydrophobicContact CG-CG2 4.37Å
12V83.8Confident67Low1 Ų174.8 Ų74.81%0.00642%0.424CS..EExtended strand (participates in β ladder)trans-104.2142.3-176.9-173.40000110.3G10 F58 V59 E60 S88 R90 M93G10-V12 VanDerWaalsContact C-N 3.31Å; G10-V12 PolarHBondContact O-N 3.24Å; V12-F58 HydrophobicContact CG1-CB 4.09Å; V12-F58 HydrophobicContact CG1-CD1 4.04Å; V12-V59 WeakPolarHBondContact CA-O 3.48Å; V12-V59 WeakPolarHBondContact CG1-O 3.5Å; V12-E60 HydrophobicContact CG2-CG 4.15Å; V12-S88 CarbonylContact C-O 3.57Å; V12-S88 CarbonylContact O-C 3.52Å; V12-S88 PolarHBondContact O-N 3.33Å; V12-R90 HydrophobicContact CG2-CB 4.08Å; V12-M93 HydrophobicContact CG1-CB 4.05Å; V12-M93 HydrophobicContact CG1-CG 4.32Å; V12-M93 HydrophobicContact CG1-SD 3.89Å; V12-M93 HydrophobicContact CG2-SD 4.21Å
13V88.1Confident69.3Low0 Ų067.7 Ų67.70%039%0.394CS..EExtended strand (participates in β ladder)trans-117.4139.5168.8-64.50000110.1F58 V59 L61 V67 A70 V85 F86V13-F58 CarbonylContact O-C 3.58Å; V13-F58 WeakPolarHBondContact O-CA 3.4Å; V13-V59 HydrophobicContact CG2-CB 3.82Å; V13-V59 PolarHBondContact N-O 3.47Å; V13-V59 PolarHBondContact O-N 3.23Å; V13-L61 HydrophobicContact CB-CD1 4.45Å; V13-L61 HydrophobicContact CG1-CD1 3.68Å; V13-L61 HydrophobicContact CG2-CD1 3.93Å; V13-L61 HydrophobicContact CG2-CG 4.25Å; V13-V67 HydrophobicContact CG1-CB 4.37Å; V13-V67 HydrophobicContact CG1-CG1 3.94Å; V13-V67 HydrophobicContact CG1-CG2 4.24Å; V13-A70 HydrophobicContact CG1-CB 4.16Å; V13-V85 HydrophobicContact CB-CG1 4.18Å; V13-V85 HydrophobicContact CG1-CG1 4.47Å; V13-F86 CarbonylContact C-O 3.58Å; V13-F86 VanDerWaalsContact CA-O 3.27Å; V13-F86 WeakPolarHBondContact CA-O 3.26Å
14K88.1Confident71.5Confident38 Ų3861.7 Ų61.717%0.16536%0.364CS..EExtended strand (participates in β ladder)trans-98.6120171.9180177.5-179.5168.90108.8E56 A57 F58 F86 S88K14-E56 WeakPolarHBondContact CE-OE2 3.35Å; K14-E56 IonicContact NZ-OE2 2.72Å; K14-E56 PolarHBondContact NZ-OE2 3.34Å; K14-A57 CarbonylContact C-O 3.53Å; K14-A57 WeakPolarHBondContact CA-O 3.26Å; K14-F58 HydrophobicContact CB-CD1 3.79Å; K14-F58 HydrophobicContact CB-CE1 3.65Å; K14-F58 HydrophobicContact CD-CE1 3.78Å; K14-F58 HydrophobicContact CD-CZ 3.86Å; K14-F58 HydrophobicContact CG-CD1 4.14Å; K14-F58 HydrophobicContact CG-CE1 3.77Å; K14-F58 HydrophobicContact CG-CZ 4.16Å; K14-F86 HydrophobicContact CB-CB 4.28Å; K14-F86 PolarHBondContact N-O 3.15Å; K14-F86 PolarHBondContact O-N 3.4Å; K14-S88 WeakPolarHBondContact CB-OG 3.15Å
15L89.5Confident74.1Confident0 Ų065.3 Ų65.30%037%0.365CS..EExtended strand (participates in β ladder)trans-94.2128.8171.5-56.4-179.5000109L18 V27 F30 L31 E56 A57 V59 I83 E84 V85L15-L18 HydrophobicContact CB-CD1 4.07Å; L15-L18 HydrophobicContact CB-CD2 4.39Å; L15-L18 HydrophobicContact CB-CG 4.28Å; L15-L18 HydrophobicContact CD1-CD2 4.46Å; L15-V27 HydrophobicContact CD1-CG1 3.55Å; L15-V27 HydrophobicContact CD1-CG2 4.48Å; L15-F30 HydrophobicContact CD2-CE1 4.5Å; L15-L31 HydrophobicContact CD1-CD1 4.21Å; L15-E56 CarbonylContact O-C 3.57Å; L15-E56 VanDerWaalsContact O-CA 3.25Å; L15-E56 WeakPolarHBondContact O-CA 3.27Å; L15-A57 PolarHBondContact N-O 3.1Å; L15-A57 PolarHBondContact O-N 3.43Å; L15-V59 HydrophobicContact CD1-CG2 3.67Å; L15-V59 HydrophobicContact CG-CG2 4.15Å; L15-I83 HydrophobicContact CB-CG2 4.27Å; L15-I83 HydrophobicContact CD2-CG2 4.15Å; L15-E84 CarbonylContact C-O 3.57Å; L15-E84 WeakPolarHBondContact CA-O 3.27Å; L15-V85 HydrophobicContact CD2-CB 4.21Å; L15-V85 HydrophobicContact CD2-CG1 3.92Å; L15-V85 HydrophobicContact CD2-CG2 3.65Å
16R86.6Confident75.9Confident127 Ų12761.8 Ų61.848%0.47934%0.339SS..EExtended strand (participates in β ladder)trans-123.8150.2172.8-179.1176.5-171.4167.25.7109.3G55 E56 I83 E84 F86R16-G55 CarbonylContact C-O 3.57Å; R16-E56 HydrophobicContact CB-CG 4.43Å; R16-E56 HydrophobicContact CG-CG 4.12Å; R16-E56 IonicContact NE-OE1 3.84Å; R16-I83 CarbonylContact O-C 3.5Å; R16-I83 WeakPolarHBondContact O-CA 3.34Å; R16-E84 HydrophobicContact CB-CB 4.32Å; R16-E84 PolarHBondContact N-O 2.85Å; R16-E84 PolarHBondContact O-N 3.24Å; R16-F86 HydrophobicContact CB-CE2 4.14Å
17G83.3Confident78Confident8 Ų853.4 Ų53.48%0.08230%0.3CS..  trans94.67.3177.600000113.6G55 R81G17-G55 PolarHBondContact N-O 2.87Å; G17-R81 VanDerWaalsContact CA-NH2 3.32Å; G17-R81 WeakPolarHBondContact O-CB 3.46Å; G17-R81 VanDerWaalsContact O-CZ 3.31Å; G17-R81 PolarHBondContact O-NE 3.1Å; G17-R81 PolarHBondContact O-NH2 3.25Å
18L86.1Confident80.1Confident2 Ų252.4 Ų52.41%0.0127%0.273CS..  trans-61.5136.1178.9-62.4171.4000110.2L15 C22 V27 F45 G55 A57 M78 R81 I83L15-L18 HydrophobicContact CB-CD1 4.07Å; L15-L18 HydrophobicContact CB-CD2 4.39Å; L15-L18 HydrophobicContact CB-CG 4.28Å; L15-L18 HydrophobicContact CD1-CD2 4.46Å; L18-C22 HydrophobicContact CB-CB 4.13Å; L18-V27 HydrophobicContact CD1-CG2 4.34Å; L18-V27 HydrophobicContact CD2-CG2 4.35Å; L18-F45 HydrophobicContact CD1-CD1 4.48Å; L18-F45 HydrophobicContact CD1-CE1 4.08Å; L18-G55 PolarHBondContact N-O 2.8Å; L18-G55 VanDerWaalsContact O-CA 3.26Å; L18-G55 WeakPolarHBondContact O-CA 3.47Å; L18-A57 HydrophobicContact CD1-CB 3.41Å; L18-A57 VanDerWaalsContact CD1-CB 3.41Å; L18-M78 HydrophobicContact CD2-CE 4.5Å; L18-M78 HydrophobicContact CD2-SD 4.3Å; L18-R81 VanDerWaalsContact O-CZ 3.31Å; L18-R81 PolarHBondContact O-NH1 2.9Å; L18-I83 HydrophobicContact CD2-CD1 3.49Å; L18-I83 VanDerWaalsContact CD2-CD1 3.49Å; L18-I83 HydrophobicContact CD2-CG1 4.03Å; L18-I83 HydrophobicContact CD2-CG2 4.35Å
19P83.5Confident82.1Confident11 Ų1155.8 Ų55.87%0.07128%0.28CS..  trans-60.7150.1172.222.4-27.8000110.8S21 C22 M78P19-S21 PolarHBondContact O-N 3.24Å; P19-S21 VanDerWaalsContact O-N 3.09Å; P19-C22 HydrophobicContact CG-CB 4.01Å; P19-C22 WeakPolarHBondContact O-CB 3.4Å; P19-C22 PolarHBondContact O-N 2.73Å; P19-M78 HydrophobicContact CG-CG 4.2Å; P19-M78 HydrophobicContact CG-SD 4.06Å
20W80.9Confident83.7Confident178 Ų17849.3 Ų49.367%0.67425%0.25SS*.THydrogen-bonded Turntrans-69.4-4.9179.7-57.1-43.3000114.1Q53W20-Q53 VanDerWaalsContact C-OE1 3.25Å; W20-Q53 VanDerWaalsContact CD1-O 3.26Å; W20-Q53 PolarHBondContact O-OE1 2.9Å
21S81.5Confident84.6Confident103 Ų10348.4 Ų48.472%0.7224%0.24SC*.THydrogen-bonded Turntrans-102.49.3171.462.50000112.2P19 S23P19-S21 PolarHBondContact O-N 3.24Å; P19-S21 VanDerWaalsContact O-N 3.09Å; S21-S23 PolarHBondContact O-N 3.27Å
22C82.3Confident84.5Confident2 Ų249 Ų491%0.01425%0.252CS..  trans-70125.8-176.8-173.20000110.1L18 P19 Q53 M78L18-C22 HydrophobicContact CB-CB 4.13Å; P19-C22 HydrophobicContact CG-CB 4.01Å; P19-C22 WeakPolarHBondContact O-CB 3.4Å; P19-C22 PolarHBondContact O-N 2.73Å; C22-Q53 PolarHBondContact O-NE2 3.19Å; C22-M78 VanDerWaalsContact SG-SD 3.66Å
23S85.6Confident84.3Confident46 Ų4653.6 Ų53.632%0.32228%0.277SS..  trans-97.9166.1173.768.20000111.4S21 E25 D26 V27S21-S23 PolarHBondContact O-N 3.27Å; S23-E25 PolarHBondContact O-N 2.84Å; S23-D26 WeakPolarHBondContact CB-OD2 3.49Å; S23-D26 PolarHBondContact N-OD2 2.88Å; S23-D26 PolarHBondContact O-N 3.29Å; S23-D26 VanDerWaalsContact O-N 3.16Å; S23-D26 VanDerWaalsContact OG-CG 3.24Å; S23-D26 PolarHBondContact OG-N 3.26Å; S23-D26 PolarHBondContact OG-OD2 3.47Å; S23-V27 PolarHBondContact O-N 2.96Å
24V85.5Confident83.8Confident46 Ų4654.2 Ų54.228%0.27928%0.281SS..Hα-helixtrans-55.8-38.4172.6-177.90000110.6D26 V27 Q28 A40 V43 F45V24-D26 VanDerWaalsContact C-N 3.35Å; V24-D26 PolarHBondContact O-N 3.26Å; V24-V27 PolarHBondContact O-N 3.16Å; V24-Q28 HydrophobicContact CG1-CG 4.47Å; V24-Q28 WeakPolarHBondContact O-CG 3.38Å; V24-Q28 PolarHBondContact O-N 3.36Å; V24-A40 HydrophobicContact CG1-CB 3.83Å; V24-V43 HydrophobicContact CG1-CB 4Å; V24-V43 HydrophobicContact CG1-CG1 4.41Å; V24-V43 HydrophobicContact CG1-CG2 4.1Å; V24-F45 HydrophobicContact CB-CE2 4.35Å; V24-F45 HydrophobicContact CG2-CD2 4.43Å; V24-F45 HydrophobicContact CG2-CE2 3.62Å
25E85.4Confident83.4Confident136 Ų13656.9 Ų56.964%0.63630%0.301SS*.Hα-helixtrans-64.1-38.8179.6-61.2-178.3-175.900111.8S23 V27 Q28 N29S23-E25 PolarHBondContact O-N 2.84Å; E25-V27 VanDerWaalsContact C-N 3.32Å; E25-V27 PolarHBondContact O-N 3.47Å; E25-Q28 WeakPolarHBondContact O-CB 3.39Å; E25-Q28 PolarHBondContact O-N 3.37Å; E25-N29 WeakPolarHBondContact O-CB 3.21Å; E25-N29 VanDerWaalsContact O-CG 3.25Å; E25-N29 PolarHBondContact O-N 3.34Å; E25-N29 PolarHBondContact O-ND2 2.93Å; E25-N29 VanDerWaalsContact O-ND2 3.17Å
26D86.9Confident82.9Confident60 Ų6058 Ų5832%0.32131%0.306SS..Hα-helixtrans-64.6-39.5176.5-61.2-51000111.5S23 V24 Q28 N29 F30 M78S23-D26 WeakPolarHBondContact CB-OD2 3.49Å; S23-D26 PolarHBondContact N-OD2 2.88Å; S23-D26 PolarHBondContact O-N 3.29Å; S23-D26 VanDerWaalsContact O-N 3.16Å; S23-D26 VanDerWaalsContact OG-CG 3.24Å; S23-D26 PolarHBondContact OG-N 3.26Å; S23-D26 PolarHBondContact OG-OD2 3.47Å; V24-D26 VanDerWaalsContact C-N 3.35Å; V24-D26 PolarHBondContact O-N 3.26Å; D26-Q28 VanDerWaalsContact C-N 3.35Å; D26-N29 PolarHBondContact O-N 2.75Å; D26-F30 WeakPolarHBondContact O-CB 3.4Å; D26-F30 PolarHBondContact O-N 3.25Å; D26-M78 HydrophobicContact CB-CE 4.05Å; D26-M78 HydrophobicContact CB-SD 3.98Å; D26-M78 WeakPolarHBondContact O-CE 3.45Å
27V84.9Confident82Confident0 Ų056.5 Ų56.50%031%0.305CS..Hα-helixtrans-65.3-40.4175.2177.10000110.9L15 L18 S23 V24 E25 F30 L31 V43 F45 V59L15-V27 HydrophobicContact CD1-CG1 3.55Å; L15-V27 HydrophobicContact CD1-CG2 4.48Å; L18-V27 HydrophobicContact CD1-CG2 4.34Å; L18-V27 HydrophobicContact CD2-CG2 4.35Å; S23-V27 PolarHBondContact O-N 2.96Å; V24-V27 PolarHBondContact O-N 3.16Å; E25-V27 VanDerWaalsContact C-N 3.32Å; E25-V27 PolarHBondContact O-N 3.47Å; V27-F30 PolarHBondContact O-N 2.82Å; V27-L31 HydrophobicContact CG1-CD1 4.19Å; V27-L31 WeakPolarHBondContact O-CB 2.87Å; V27-L31 PolarHBondContact O-N 2.91Å; V27-V43 HydrophobicContact CB-CG1 4.2Å; V27-V43 HydrophobicContact CG1-CG1 3.97Å; V27-V43 HydrophobicContact CG1-CG2 4.08Å; V27-V43 HydrophobicContact CG2-CG1 4.33Å; V27-F45 HydrophobicContact CG2-CE1 4.09Å; V27-F45 HydrophobicContact CG2-CZ 3.83Å; V27-V59 HydrophobicContact CG1-CG2 3.71Å
28Q84.3Confident81.2Confident61 Ų6162 Ų6229%0.28533%0.333SS..Hα-helixtrans-65.1-40.3174.6-72.3-179.8-12.700112.3V24 E25 D26 F30 L31 S32 I36 G39 A40V24-Q28 HydrophobicContact CG1-CG 4.47Å; V24-Q28 WeakPolarHBondContact O-CG 3.38Å; V24-Q28 PolarHBondContact O-N 3.36Å; E25-Q28 WeakPolarHBondContact O-CB 3.39Å; E25-Q28 PolarHBondContact O-N 3.37Å; D26-Q28 VanDerWaalsContact C-N 3.35Å; Q28-F30 VanDerWaalsContact C-N 3.35Å; Q28-L31 CarbonylContact O-C 3.21Å; Q28-L31 PolarHBondContact O-N 3.49Å; Q28-S32 WeakPolarHBondContact O-CA 3.43Å; Q28-S32 PolarHBondContact O-N 3.37Å; Q28-I36 HydrophobicContact CG-CD1 4Å; Q28-G39 PolarHBondContact NE2-O 3.31Å; Q28-A40 VanDerWaalsContact NE2-CA 3.26Å
29N83.8Confident80.6Confident115 Ų11563.2 Ų63.262%0.61535%0.345SS*.Hα-helixtrans-65.4-39.5175.7-73.2-34.2000111.5E25 D26 S32E25-N29 WeakPolarHBondContact O-CB 3.21Å; E25-N29 VanDerWaalsContact O-CG 3.25Å; E25-N29 PolarHBondContact O-N 3.34Å; E25-N29 PolarHBondContact O-ND2 2.93Å; E25-N29 VanDerWaalsContact O-ND2 3.17Å; D26-N29 PolarHBondContact O-N 2.75Å; N29-S32 WeakPolarHBondContact O-CB 3.37Å; N29-S32 PolarHBondContact O-N 2.93Å; N29-S32 PolarHBondContact O-OG 3.36Å
30F83.8Confident79.8Confident15 Ų1565.4 Ų65.47%0.06636%0.364CS..Hα-helixtrans-64.7-41.9175.1-175.7-99.5000111.9L15 D26 V27 Q28 S32 K73 E76 M78 I83 V85L15-F30 HydrophobicContact CD2-CE1 4.5Å; D26-F30 WeakPolarHBondContact O-CB 3.4Å; D26-F30 PolarHBondContact O-N 3.25Å; V27-F30 PolarHBondContact O-N 2.82Å; Q28-F30 VanDerWaalsContact C-N 3.35Å; F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 3Å; F30-K73 HydrophobicContact CE1-CB 4.21Å; F30-K73 HydrophobicContact CZ-CB 4.1Å; F30-K73 WeakPolarHBondContact CZ-O 2.93Å; F30-K73 VanDerWaalsContact O-CD 3.26Å; F30-K73 WeakPolarHBondContact O-CD 3.48Å; F30-K73 PolarHBondContact O-NZ 3.19Å; F30-E76 HydrophobicContact CD2-CG 4.46Å; F30-E76 HydrophobicContact CE2-CB 3.55Å; F30-E76 HydrophobicContact CE2-CG 3.7Å; F30-E76 HydrophobicContact CZ-CB 3.84Å; F30-E76 HydrophobicContact CZ-CG 4.45Å; F30-M78 HydrophobicContact CB-CE 3.49Å; F30-M78 VanDerWaalsContact CB-CE 3.49Å; F30-M78 HydrophobicContact CD2-CE 4.07Å; F30-M78 HydrophobicContact CG-CE 3.94Å; F30-I83 HydrophobicContact CD1-CD1 4.28Å; F30-I83 HydrophobicContact CD2-CD1 3.8Å; F30-I83 HydrophobicContact CE1-CB 4.3Å; F30-I83 HydrophobicContact CE1-CD1 4.27Å; F30-I83 HydrophobicContact CE1-CG2 3.98Å; F30-I83 HydrophobicContact CE2-CB 4.14Å; F30-I83 HydrophobicContact CE2-CD1 3.74Å; F30-I83 HydrophobicContact CE2-CG1 4.36Å; F30-I83 HydrophobicContact CG-CD1 4.07Å; F30-I83 HydrophobicContact CZ-CB 3.77Å; F30-I83 HydrophobicContact CZ-CD1 4Å; F30-I83 HydrophobicContact CZ-CG1 4.42Å; F30-I83 HydrophobicContact CZ-CG2 3.96Å; F30-V85 HydrophobicContact CE1-CG2 3.96Å; F30-V85 HydrophobicContact CZ-CG2 4.39Å
31L82.4Confident79.2Confident1 Ų160.1 Ų60.11%0.00536%0.358CS..THydrogen-bonded Turntrans-94.128.8177.1-64.6176.6000112.9L15 V27 Q28 D33 C34 I36 V59 A70L15-L31 HydrophobicContact CD1-CD1 4.21Å; V27-L31 HydrophobicContact CG1-CD1 4.19Å; V27-L31 WeakPolarHBondContact O-CB 2.87Å; V27-L31 PolarHBondContact O-N 2.91Å; Q28-L31 CarbonylContact O-C 3.21Å; Q28-L31 PolarHBondContact O-N 3.49Å; L31-D33 PolarHBondContact O-N 3.45Å; L31-C34 HydrophobicContact CB-CB 4.27Å; L31-C34 PolarHBondContact O-N 2.73Å; L31-I36 HydrophobicContact CB-CD1 4.09Å; L31-I36 HydrophobicContact CD1-CD1 4.33Å; L31-V59 HydrophobicContact CD1-CB 4.04Å; L31-V59 HydrophobicContact CD1-CG1 3.77Å; L31-V59 HydrophobicContact CD1-CG2 3.91Å; L31-A70 HydrophobicContact CD2-CB 3.85Å
32S79.1Confident78.9Confident78 Ų7855.2 Ų55.255%0.54532%0.324SS..THydrogen-bonded Turntrans-55.2-27.4-178.4620000114Q28 N29 F30 C34Q28-S32 WeakPolarHBondContact O-CA 3.43Å; Q28-S32 PolarHBondContact O-N 3.37Å; N29-S32 WeakPolarHBondContact O-CB 3.37Å; N29-S32 PolarHBondContact O-N 2.93Å; N29-S32 PolarHBondContact O-OG 3.36Å; F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 3Å; S32-C34 VanDerWaalsContact C-N 3.32Å
33D78.6Confident79Confident98 Ų9855.7 Ų55.752%0.52433%0.327SS..THydrogen-bonded Turntrans-89.9-0.2-176.9-52.4-32.3000112.4L31 M69 K73L31-D33 PolarHBondContact O-N 3.45Å; D33-M69 WeakPolarHBondContact O-CE 3.33Å; D33-K73 WeakPolarHBondContact OD2-CE 3.28Å; D33-K73 IonicContact OD2-NZ 2.73Å; D33-K73 PolarHBondContact OD2-NZ 3.29Å
34C78.9Confident78.9Confident13 Ų1356 Ų569%0.08832%0.323CS..SBendtrans-117.7139.7-176.6-59.70000110.5L31 S32 I36 L61 D66L31-C34 HydrophobicContact CB-CB 4.27Å; L31-C34 PolarHBondContact O-N 2.73Å; S32-C34 VanDerWaalsContact C-N 3.32Å; C34-I36 PolarHBondContact O-N 3.41Å; C34-L61 HydrophobicContact CB-CD2 4.09Å; C34-D66 WeakPolarHBondContact CA-OD1 3.47Å; C34-D66 HydrophobicContact CB-CB 4.06Å; C34-D66 PolarHBondContact SG-O 2.9Å; C34-D66 VanDerWaalsContact SG-O 3.41Å
35T78.3Confident78.9Confident95 Ų9555 Ų5558%0.58332%0.315SS*.  trans-82.5100.4174.1-48.40000110.2G62 D66T35-G62 PolarHBondContact O-N 2.88Å; T35-D66 WeakPolarHBondContact CB-OD2 3.1Å; T35-D66 PolarHBondContact N-OD1 3.49Å
36I78.6Confident78.8Confident22 Ų2249 Ų4911%0.11329%0.287CS..BIsolated β-bridgetrans-75.5130.5175.5-56.8171.2000109.4Q28 L31 C34 D38 G39 V43 V59 E60 L61Q28-I36 HydrophobicContact CG-CD1 4Å; L31-I36 HydrophobicContact CB-CD1 4.09Å; L31-I36 HydrophobicContact CD1-CD1 4.33Å; C34-I36 PolarHBondContact O-N 3.41Å; I36-D38 PolarHBondContact O-N 3.27Å; I36-G39 VanDerWaalsContact CG2-O 3.26Å; I36-G39 WeakPolarHBondContact CG2-O 3.46Å; I36-G39 PolarHBondContact O-N 3.39Å; I36-V43 HydrophobicContact CD1-CG2 4.47Å; I36-V43 HydrophobicContact CG2-CG2 4.41Å; I36-V59 HydrophobicContact CB-CG1 4.4Å; I36-V59 HydrophobicContact CD1-CG1 4.06Å; I36-V59 HydrophobicContact CG1-CG1 3.9Å; I36-V59 HydrophobicContact CG2-CG1 3.69Å; I36-E60 WeakPolarHBondContact CA-O 3.42Å; I36-E60 VanDerWaalsContact CG2-O 3.28Å; I36-E60 WeakPolarHBondContact CG2-O 3.47Å; I36-L61 HydrophobicContact CG1-CD2 3.98Å
37H68.3Low78.3Confident97 Ų9750.4 Ų50.445%0.44929%0.289SS..THydrogen-bonded Turntrans-66.2125.5174.7-161.469.7000109.3G39 G42 E60H37-G39 PolarHBondContact O-N 3.4Å; H37-G42 VanDerWaalsContact O-CA 3.27Å; H37-G42 WeakPolarHBondContact O-CA 3.25Å; H37-G42 PolarHBondContact O-N 3.34Å; H37-E60 HydrophobicContact CB-CB 4.02Å; H37-E60 IonicContact CD2-OE2 3.73Å; H37-E60 PolarHBondContact N-O 2.76Å
38D66.4Low77.6Confident124 Ų12452.8 Ų52.866%0.66330%0.303SS*.THydrogen-bonded Turntrans53.319-173.3-71.3-32.8000116.6I36 A40 A41I36-D38 PolarHBondContact O-N 3.27Å; D38-A40 PolarHBondContact O-N 2.91Å; D38-A41 HydrophobicContact CB-CB 3.95Å; D38-A41 PolarHBondContact O-N 2.75Å
39G73.1Confident76.4Confident26 Ų2660.6 Ų60.627%0.26833%0.33SS..THydrogen-bonded Turntrans58-97.4170.800000114.1Q28 I36 H37Q28-G39 PolarHBondContact NE2-O 3.31Å; I36-G39 VanDerWaalsContact CG2-O 3.26Å; I36-G39 WeakPolarHBondContact CG2-O 3.46Å; I36-G39 PolarHBondContact O-N 3.39Å; H37-G39 PolarHBondContact O-N 3.4Å
40A66.5Low75.5Confident58 Ų5862.6 Ų62.648%0.47934%0.336SS..THydrogen-bonded Turntrans-78.3-26.6-179.500000112.5V24 Q28 D38V24-A40 HydrophobicContact CG1-CB 3.83Å; Q28-A40 VanDerWaalsContact NE2-CA 3.26Å; D38-A40 PolarHBondContact O-N 2.91Å
41A69.2Low74.7Confident66 Ų6663.9 Ų63.955%0.54535%0.353SS..THydrogen-bonded Turntrans-81.6-21.6-178.200000113.1D38 V43 H44D38-A41 HydrophobicContact CB-CB 3.95Å; D38-A41 PolarHBondContact O-N 2.75Å; A41-V43 VanDerWaalsContact C-N 3.3Å; A41-H44 PolarHBondContact O-CE1 2.89Å
42G75.6Confident74.4Confident1 Ų171 Ų711%0.0138%0.38CS..THydrogen-bonded Turntrans-81.4-2.8173.400000114.5H37 V59 E60H37-G42 VanDerWaalsContact O-CA 3.27Å; H37-G42 WeakPolarHBondContact O-CA 3.25Å; H37-G42 PolarHBondContact O-N 3.34Å; G42-V59 CarbonylContact O-C 3.58Å; G42-V59 WeakPolarHBondContact O-CA 3.32Å; G42-E60 PolarHBondContact O-N 3.32Å
43V84.4Confident74.5Confident11 Ų1169.1 Ų69.17%0.06736%0.363CS..EExtended strand (participates in β ladder)trans-97.3115.2175.6-1790000109.4V24 V27 I36 A41 F45 V59V24-V43 HydrophobicContact CG1-CB 4Å; V24-V43 HydrophobicContact CG1-CG1 4.41Å; V24-V43 HydrophobicContact CG1-CG2 4.1Å; V27-V43 HydrophobicContact CB-CG1 4.2Å; V27-V43 HydrophobicContact CG1-CG1 3.97Å; V27-V43 HydrophobicContact CG1-CG2 4.08Å; V27-V43 HydrophobicContact CG2-CG1 4.33Å; I36-V43 HydrophobicContact CD1-CG2 4.47Å; I36-V43 HydrophobicContact CG2-CG2 4.41Å; A41-V43 VanDerWaalsContact C-N 3.3Å; V43-F45 HydrophobicContact CG1-CD2 4.38Å; V43-F45 HydrophobicContact CG1-CE2 3.88Å; V43-F45 HydrophobicContact CG1-CZ 4.1Å; V43-V59 HydrophobicContact CG1-CG2 4.34Å; V43-V59 HydrophobicContact CG2-CG1 4.12Å; V43-V59 HydrophobicContact CG2-CG2 4.22Å
44H83.5Confident74.4Confident53 Ų5366.9 Ų66.925%0.24535%0.354CS..EExtended strand (participates in β ladder)trans-116.1106.8-176.8-60-74.3000111.5A41 A57 F58 M93 L97A41-H44 PolarHBondContact O-CE1 2.89Å; H44-A57 CarbonylContact O-C 3.48Å; H44-A57 VanDerWaalsContact O-CA 3.25Å; H44-A57 WeakPolarHBondContact O-CA 3.25Å; H44-F58 HydrophobicContact CB-CB 4.4Å; H44-F58 PolarHBondContact N-O 3.42Å; H44-F58 PolarHBondContact O-N 3.43Å; H44-M93 PolarHBondContact CD2-SD 3.09Å; H44-L97 HydrophobicContact CB-CD1 3.58Å; H44-L97 HydrophobicContact CB-CD2 3.59Å; H44-L97 HydrophobicContact CB-CG 4.16Å; H44-L97 VanDerWaalsContact CG-CD1 3.47Å
45F85.4Confident74.5Confident24 Ų2466.4 Ų66.411%0.10535%0.352CS..EExtended strand (participates in β ladder)trans-77.2141176-70.3-80000112.4L18 V24 V27 V43 Y47 A57L18-F45 HydrophobicContact CD1-CD1 4.48Å; L18-F45 HydrophobicContact CD1-CE1 4.08Å; V24-F45 HydrophobicContact CB-CE2 4.35Å; V24-F45 HydrophobicContact CG2-CD2 4.43Å; V24-F45 HydrophobicContact CG2-CE2 3.62Å; V27-F45 HydrophobicContact CG2-CE1 4.09Å; V27-F45 HydrophobicContact CG2-CZ 3.83Å; V43-F45 HydrophobicContact CG1-CD2 4.38Å; V43-F45 HydrophobicContact CG1-CE2 3.88Å; V43-F45 HydrophobicContact CG1-CZ 4.1Å; F45-Y47 HydrophobicContact CB-CD2 4.41Å; F45-Y47 HydrophobicContact CB-CE2 3.66Å; F45-Y47 WeakPolarHBondContact O-CD2 3.2Å; F45-A57 HydrophobicContact CD1-CB 3.82Å; F45-A57 HydrophobicContact CE1-CB 4.13Å; F45-A57 HydrophobicContact CG-CB 4.44Å
46I82.3Confident75Confident10 Ų1063.6 Ų63.65%0.05133%0.332CS..EExtended strand (participates in β ladder)trans-92.2120.1172-50.6-179.2000108.7S54 E56 F58 V96I46-S54 PolarHBondContact O-N 3.32Å; I46-E56 HydrophobicContact CB-CB 4.14Å; I46-E56 WeakPolarHBondContact CB-O 3.38Å; I46-E56 HydrophobicContact CD1-CB 3.55Å; I46-E56 HydrophobicContact CG1-CB 4.09Å; I46-E56 PolarHBondContact N-O 2.81Å; I46-F58 HydrophobicContact CD1-CD2 3.86Å; I46-F58 HydrophobicContact CD1-CE2 3.34Å; I46-F58 HydrophobicContact CD1-CZ 4.23Å; I46-F58 HydrophobicContact CG1-CD2 4.03Å; I46-F58 HydrophobicContact CG1-CE2 3.96Å; I46-V96 HydrophobicContact CD1-CG1 3.8Å; I46-V96 HydrophobicContact CG1-CG1 4.32Å; I46-V96 HydrophobicContact CG2-CG1 4.5Å
47Y77.6Confident75.4Confident91 Ų9162.5 Ų62.536%0.35733%0.327SS..EExtended strand (participates in β ladder)trans-99.4142.8173.7-60.7-89.2000109.4F45 Q53F45-Y47 HydrophobicContact CB-CD2 4.41Å; F45-Y47 HydrophobicContact CB-CE2 3.66Å; F45-Y47 WeakPolarHBondContact O-CD2 3.2Å; Y47-Q53 HydrophobicContact CD1-CG 4Å; Y47-Q53 HydrophobicContact CE1-CG 3.59Å
48T68.9Low76.4Confident49 Ų4957.9 Ų57.930%0.30131%0.305SS..PPolyproline II helixtrans-71.6163.8167.358.50000109.6E50 G51 R52T48-E50 PolarHBondContact O-N 3.32Å; T48-G51 WeakPolarHBondContact O-CA 3.39Å; T48-G51 PolarHBondContact O-N 2.84Å; T48-R52 WeakPolarHBondContact CB-O 3.47Å; T48-R52 PolarHBondContact N-O 3.11Å; T48-R52 WeakPolarHBondContact OG1-CB 3.02Å; T48-R52 PolarHBondContact OG1-N 3.3Å; T48-R52 PolarHBondContact OG1-O 3.38Å
49R60.4Low77.4Confident226 Ų22652 Ų5285%0.85327%0.274SS*.THydrogen-bonded Turntrans-55.3-23.9176.6-64.3-177.3179.7-172.5-0.6113.5G51R49-G51 PolarHBondContact O-N 2.89Å
50E64.8Low78Confident157 Ų15752.2 Ų52.273%0.73427%0.268SS*.THydrogen-bonded Turntrans-82.12.8175.9-59.5-177.4171.600113.3T48 R52T48-E50 PolarHBondContact O-N 3.32Å; E50-R52 PolarHBondContact O-N 2.94Å
51G66.6Low78.9Confident42 Ų4249.8 Ų49.843%0.43325%0.247SC..SBendtrans75.33.8-175.100000114.2T48 R49T48-G51 WeakPolarHBondContact O-CA 3.39Å; T48-G51 PolarHBondContact O-N 2.84Å; R49-G51 PolarHBondContact O-N 2.89Å
52R76Confident79.5Confident149 Ų14948.6 Ų48.656%0.56224%0.241SC*.  trans-81.9137176.5-174-178.4-68.2150.93.5110.3T48 E50 S54T48-R52 WeakPolarHBondContact CB-O 3.47Å; T48-R52 PolarHBondContact N-O 3.11Å; T48-R52 WeakPolarHBondContact OG1-CB 3.02Å; T48-R52 PolarHBondContact OG1-N 3.3Å; T48-R52 PolarHBondContact OG1-O 3.38Å; E50-R52 PolarHBondContact O-N 2.94Å; R52-S54 PolarHBondContact O-N 2.79Å
53Q80.3Confident79.9Confident40 Ų4050.6 Ų50.619%0.18725%0.254CS..EExtended strand (participates in β ladder)trans-58.6125173.9-67.5179.7-16.200110.6W20 C22 Y47 G55W20-Q53 VanDerWaalsContact C-OE1 3.25Å; W20-Q53 VanDerWaalsContact CD1-O 3.26Å; W20-Q53 PolarHBondContact O-OE1 2.9Å; C22-Q53 PolarHBondContact O-NE2 3.19Å; Y47-Q53 HydrophobicContact CD1-CG 4Å; Y47-Q53 HydrophobicContact CE1-CG 3.59Å; Q53-G55 PolarHBondContact O-N 2.86Å
54S77.4Confident79.8Confident50 Ų5054 Ų5435%0.3527%0.27SS..EExtended strand (participates in β ladder)trans-73.3-7.4-179.4-163.50000112.8I46 R52I46-S54 PolarHBondContact O-N 3.32Å; R52-S54 PolarHBondContact O-N 2.79Å
55G81.6Confident79.9Confident4 Ų456.2 Ų56.24%0.04128%0.284CS..EExtended strand (participates in β ladder)trans72.821.7-17000000112.6R16 G17 L18 Q53R16-G55 CarbonylContact C-O 3.57Å; G17-G55 PolarHBondContact N-O 2.87Å; L18-G55 PolarHBondContact N-O 2.8Å; L18-G55 VanDerWaalsContact O-CA 3.26Å; L18-G55 WeakPolarHBondContact O-CA 3.47Å; Q53-G55 PolarHBondContact O-N 2.86Å
56E87.3Confident79.9Confident35 Ų3555.6 Ų55.616%0.16428%0.281CS..EExtended strand (participates in β ladder)trans-122.3140.7173.9-64.4-173-169.800109K14 L15 R16 I46K14-E56 WeakPolarHBondContact CE-OE2 3.35Å; K14-E56 IonicContact NZ-OE2 2.72Å; K14-E56 PolarHBondContact NZ-OE2 3.34Å; L15-E56 CarbonylContact O-C 3.57Å; L15-E56 VanDerWaalsContact O-CA 3.25Å; L15-E56 WeakPolarHBondContact O-CA 3.27Å; R16-E56 HydrophobicContact CB-CG 4.43Å; R16-E56 HydrophobicContact CG-CG 4.12Å; R16-E56 IonicContact NE-OE1 3.84Å; I46-E56 HydrophobicContact CB-CB 4.14Å; I46-E56 WeakPolarHBondContact CB-O 3.38Å; I46-E56 HydrophobicContact CD1-CB 3.55Å; I46-E56 HydrophobicContact CG1-CB 4.09Å; I46-E56 PolarHBondContact N-O 2.81Å
57A88.6Confident80Confident0 Ų055.3 Ų55.30%028%0.28CS..EExtended strand (participates in β ladder)trans-144.8152.7173.800000110.2K14 L15 L18 H44 F45K14-A57 CarbonylContact C-O 3.53Å; K14-A57 WeakPolarHBondContact CA-O 3.26Å; L15-A57 PolarHBondContact N-O 3.1Å; L15-A57 PolarHBondContact O-N 3.43Å; L18-A57 HydrophobicContact CD1-CB 3.41Å; L18-A57 VanDerWaalsContact CD1-CB 3.41Å; H44-A57 CarbonylContact O-C 3.48Å; H44-A57 VanDerWaalsContact O-CA 3.25Å; H44-A57 WeakPolarHBondContact O-CA 3.25Å; F45-A57 HydrophobicContact CD1-CB 3.82Å; F45-A57 HydrophobicContact CE1-CB 4.13Å; F45-A57 HydrophobicContact CG-CB 4.44Å
58F88.6Confident80.4Confident0 Ų055.6 Ų55.60%028%0.283CS..EExtended strand (participates in β ladder)trans-105.1144.4166.9-67.7-84.7000109.4V12 V13 K14 H44 I46 M93 V96V12-F58 HydrophobicContact CG1-CB 4.09Å; V12-F58 HydrophobicContact CG1-CD1 4.04Å; V13-F58 CarbonylContact O-C 3.58Å; V13-F58 WeakPolarHBondContact O-CA 3.4Å; K14-F58 HydrophobicContact CB-CD1 3.79Å; K14-F58 HydrophobicContact CB-CE1 3.65Å; K14-F58 HydrophobicContact CD-CE1 3.78Å; K14-F58 HydrophobicContact CD-CZ 3.86Å; K14-F58 HydrophobicContact CG-CD1 4.14Å; K14-F58 HydrophobicContact CG-CE1 3.77Å; K14-F58 HydrophobicContact CG-CZ 4.16Å; H44-F58 HydrophobicContact CB-CB 4.4Å; H44-F58 PolarHBondContact N-O 3.42Å; H44-F58 PolarHBondContact O-N 3.43Å; I46-F58 HydrophobicContact CD1-CD2 3.86Å; I46-F58 HydrophobicContact CD1-CE2 3.34Å; I46-F58 HydrophobicContact CD1-CZ 4.23Å; I46-F58 HydrophobicContact CG1-CD2 4.03Å; I46-F58 HydrophobicContact CG1-CE2 3.96Å; F58-M93 HydrophobicContact CB-CB 4.25Å; F58-M93 HydrophobicContact CB-CG 3.55Å; F58-M93 HydrophobicContact CB-SD 3.99Å; F58-M93 HydrophobicContact CD1-CB 4.01Å; F58-M93 HydrophobicContact CD1-CG 4.21Å; F58-M93 HydrophobicContact CD2-CG 4.15Å; F58-M93 HydrophobicContact CE1-CB 4.48Å; F58-M93 HydrophobicContact CG-CB 4.03Å; F58-M93 HydrophobicContact CG-CG 3.73Å; F58-V96 HydrophobicContact CE2-CB 3.66Å; F58-V96 HydrophobicContact CE2-CG1 3.64Å; F58-V96 HydrophobicContact CE2-CG2 4.08Å; F58-V96 HydrophobicContact CZ-CB 4.01Å; F58-V96 HydrophobicContact CZ-CG1 4.25Å; F58-V96 HydrophobicContact CZ-CG2 3.91Å
59V88Confident81.2Confident0 Ų056.7 Ų56.70%029%0.285CS..EExtended strand (participates in β ladder)trans-130.2122.3176.7-174.30000108.8V12 V13 L15 V27 L31 I36 G42 V43 L61V12-V59 WeakPolarHBondContact CA-O 3.48Å; V12-V59 WeakPolarHBondContact CG1-O 3.5Å; V13-V59 HydrophobicContact CG2-CB 3.82Å; V13-V59 PolarHBondContact N-O 3.47Å; V13-V59 PolarHBondContact O-N 3.23Å; L15-V59 HydrophobicContact CD1-CG2 3.67Å; L15-V59 HydrophobicContact CG-CG2 4.15Å; V27-V59 HydrophobicContact CG1-CG2 3.71Å; L31-V59 HydrophobicContact CD1-CB 4.04Å; L31-V59 HydrophobicContact CD1-CG1 3.77Å; L31-V59 HydrophobicContact CD1-CG2 3.91Å; I36-V59 HydrophobicContact CB-CG1 4.4Å; I36-V59 HydrophobicContact CD1-CG1 4.06Å; I36-V59 HydrophobicContact CG1-CG1 3.9Å; I36-V59 HydrophobicContact CG2-CG1 3.69Å; G42-V59 CarbonylContact O-C 3.58Å; G42-V59 WeakPolarHBondContact O-CA 3.32Å; V43-V59 HydrophobicContact CG1-CG2 4.34Å; V43-V59 HydrophobicContact CG2-CG1 4.12Å; V43-V59 HydrophobicContact CG2-CG2 4.22Å; V59-L61 HydrophobicContact CG1-CD2 4.08Å
60E85.7Confident82.4Confident31 Ų3145.9 Ų45.915%0.14525%0.245CC..EExtended strand (participates in β ladder)trans-79.6126.3171.9-61-163.4150.700110.3V12 I36 H37 G42 M93V12-E60 HydrophobicContact CG2-CG 4.15Å; I36-E60 WeakPolarHBondContact CA-O 3.42Å; I36-E60 VanDerWaalsContact CG2-O 3.28Å; I36-E60 WeakPolarHBondContact CG2-O 3.47Å; H37-E60 HydrophobicContact CB-CB 4.02Å; H37-E60 IonicContact CD2-OE2 3.73Å; H37-E60 PolarHBondContact N-O 2.76Å; G42-E60 PolarHBondContact O-N 3.32Å; E60-M93 HydrophobicContact CG-CE 3.96Å; E60-M93 HydrophobicContact CG-SD 3.64Å; E60-M93 WeakPolarHBondContact OE1-CE 3.49Å
61L85.7Confident83.5Confident7 Ų741.7 Ų41.74%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-108.2151.5177.3-57.5177.2000110.2F11 V13 C34 I36 V59 D66 V67 A70F11-L61 HydrophobicContact CB-CB 4.3Å; F11-L61 WeakPolarHBondContact O-CA 3.27Å; F11-L61 VanDerWaalsContact O-CB 3.32Å; F11-L61 WeakPolarHBondContact O-CB 3.1Å; F11-L61 PolarHBondContact O-N 2.95Å; V13-L61 HydrophobicContact CB-CD1 4.45Å; V13-L61 HydrophobicContact CG1-CD1 3.68Å; V13-L61 HydrophobicContact CG2-CD1 3.93Å; V13-L61 HydrophobicContact CG2-CG 4.25Å; C34-L61 HydrophobicContact CB-CD2 4.09Å; I36-L61 HydrophobicContact CG1-CD2 3.98Å; V59-L61 HydrophobicContact CG1-CD2 4.08Å; L61-D66 HydrophobicContact CB-CB 4.01Å; L61-D66 HydrophobicContact CD1-CB 3.98Å; L61-D66 HydrophobicContact CD2-CB 4.47Å; L61-D66 HydrophobicContact CG-CB 4.38Å; L61-V67 HydrophobicContact CB-CG2 4.43Å; L61-V67 HydrophobicContact CD1-CB 4.31Å; L61-V67 HydrophobicContact CD1-CG2 3.79Å; L61-A70 HydrophobicContact CD1-CB 4.16Å
62G81.3Confident84.5Confident40 Ų4048.1 Ų48.141%0.41224%0.243SC..SBendtrans-78.9-25.3-179.600000114T35T35-G62 PolarHBondContact O-N 2.88Å
63S83.3Confident84.8Confident43 Ų4342.4 Ų42.430%0.30122%0.222SC..  trans-136.9154.6-174.9-173.10000113.1D65 D66 V67S63-D65 PolarHBondContact O-N 2.91Å; S63-D65 PolarHBondContact OG-N 3.16Å; S63-D66 VanDerWaalsContact CB-OD2 3.25Å; S63-D66 WeakPolarHBondContact CB-OD2 3.41Å; S63-D66 PolarHBondContact N-OD2 2.97Å; S63-D66 WeakPolarHBondContact O-CB 3.47Å; S63-D66 PolarHBondContact O-N 3.2Å; S63-V67 PolarHBondContact O-N 3.45Å
64E83.6Confident85Confident83 Ų8343.5 Ų43.539%0.38823%0.229SC..Hα-helixtrans-63.3-30.9170.1-159-163.8136.300112.2F11 D66 V67 K68F11-E64 HydrophobicContact CD1-CB 3.82Å; F11-E64 HydrophobicContact CD1-CG 4.05Å; F11-E64 HydrophobicContact CE1-CB 3.39Å; F11-E64 HydrophobicContact CE1-CG 3.68Å; F11-E64 HydrophobicContact CZ-CB 3.88Å; E64-D66 VanDerWaalsContact C-N 3.31Å; E64-V67 WeakPolarHBondContact O-CB 3.27Å; E64-V67 PolarHBondContact O-N 3.41Å; E64-K68 PolarHBondContact O-N 3.12Å; E64-K68 VanDerWaalsContact O-N 3.12Å; E64-K68 WeakPolarHBondContact OE1-CE 3.31Å; E64-K68 IonicContact OE1-NZ 2.8Å; E64-K68 PolarHBondContact OE1-NZ 3.24Å
65D84.9Confident85.3Confident100 Ų10049.8 Ų49.854%0.53525%0.245SC..Hα-helixtrans-68.8-33.8178.9-69.2-33.4000111.4S63 V67 K68 M69S63-D65 PolarHBondContact O-N 2.91Å; S63-D65 PolarHBondContact OG-N 3.16Å; D65-V67 VanDerWaalsContact C-N 3.33Å; D65-K68 WeakPolarHBondContact O-CB 3.39Å; D65-K68 PolarHBondContact O-N 2.84Å; D65-K68 IonicContact OD1-NZ 3.85Å; D65-M69 WeakPolarHBondContact O-CG 3.4Å; D65-M69 PolarHBondContact O-N 3.27Å
66D85.2Confident85.4Confident10 Ų1053.9 Ų53.95%0.05326%0.263CS..Hα-helixtrans-64.2-39.6172.3-63.1-52.2000111C34 T35 L61 S63 E64 K68 M69 A70C34-D66 WeakPolarHBondContact CA-OD1 3.47Å; C34-D66 HydrophobicContact CB-CB 4.06Å; C34-D66 PolarHBondContact SG-O 2.9Å; C34-D66 VanDerWaalsContact SG-O 3.41Å; T35-D66 WeakPolarHBondContact CB-OD2 3.1Å; T35-D66 PolarHBondContact N-OD1 3.49Å; L61-D66 HydrophobicContact CB-CB 4.01Å; L61-D66 HydrophobicContact CD1-CB 3.98Å; L61-D66 HydrophobicContact CD2-CB 4.47Å; L61-D66 HydrophobicContact CG-CB 4.38Å; S63-D66 VanDerWaalsContact CB-OD2 3.25Å; S63-D66 WeakPolarHBondContact CB-OD2 3.41Å; S63-D66 PolarHBondContact N-OD2 2.97Å; S63-D66 WeakPolarHBondContact O-CB 3.47Å; S63-D66 PolarHBondContact O-N 3.2Å; E64-D66 VanDerWaalsContact C-N 3.31Å; D66-K68 VanDerWaalsContact C-N 3.3Å; D66-K68 PolarHBondContact O-N 3.34Å; D66-M69 HydrophobicContact CB-CE 4.45Å; D66-M69 PolarHBondContact O-N 3.44Å; D66-M69 VanDerWaalsContact O-N 3.16Å; D66-M69 WeakPolarHBondContact OD1-CE 3.42Å; D66-A70 WeakPolarHBondContact O-CB 3.49Å; D66-A70 PolarHBondContact O-N 2.77Å
67V84.6Confident85Confident4 Ų456.2 Ų56.22%0.02428%0.284CS..Hα-helixtrans-60.2-43.4174.3177.80000110.5F11 V13 L61 S63 E64 D65 M69 A70 L71 K87F11-V67 HydrophobicContact CB-CG2 3.64Å; F11-V67 HydrophobicContact CD1-CG2 4.3Å; F11-V67 HydrophobicContact CG-CG2 4.37Å; V13-V67 HydrophobicContact CG1-CB 4.37Å; V13-V67 HydrophobicContact CG1-CG1 3.94Å; V13-V67 HydrophobicContact CG1-CG2 4.24Å; L61-V67 HydrophobicContact CB-CG2 4.43Å; L61-V67 HydrophobicContact CD1-CB 4.31Å; L61-V67 HydrophobicContact CD1-CG2 3.79Å; S63-V67 PolarHBondContact O-N 3.45Å; E64-V67 WeakPolarHBondContact O-CB 3.27Å; E64-V67 PolarHBondContact O-N 3.41Å; D65-V67 VanDerWaalsContact C-N 3.33Å; V67-M69 VanDerWaalsContact C-N 3.31Å; V67-M69 PolarHBondContact O-N 3.23Å; V67-A70 PolarHBondContact O-N 3.29Å; V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.4Å; V67-L71 WeakPolarHBondContact O-CB 3.39Å; V67-L71 VanDerWaalsContact O-CG 3.23Å; V67-L71 WeakPolarHBondContact O-CG 3.4Å; V67-L71 PolarHBondContact O-N 3.27Å; V67-K87 HydrophobicContact CG1-CB 4.29Å; V67-K87 HydrophobicContact CG1-CD 4.19Å; V67-K87 HydrophobicContact CG1-CG 4.01Å
68K86.8Confident84.5Confident97 Ų9757.5 Ų57.542%0.42229%0.29SS..Hα-helixtrans-64.6-35.8177.2-69.9170.8-172.6147.40111.9E64 D65 D66 K72E64-K68 PolarHBondContact O-N 3.12Å; E64-K68 VanDerWaalsContact O-N 3.12Å; E64-K68 WeakPolarHBondContact OE1-CE 3.31Å; E64-K68 IonicContact OE1-NZ 2.8Å; E64-K68 PolarHBondContact OE1-NZ 3.24Å; D65-K68 WeakPolarHBondContact O-CB 3.39Å; D65-K68 PolarHBondContact O-N 2.84Å; D65-K68 IonicContact OD1-NZ 3.85Å; D66-K68 VanDerWaalsContact C-N 3.3Å; D66-K68 PolarHBondContact O-N 3.34Å; K68-K72 WeakPolarHBondContact O-CG 3.23Å; K68-K72 PolarHBondContact O-N 2.96Å
69M85.8Confident83.9Confident72 Ų7261.1 Ų61.136%0.35533%0.327SS..Hα-helixtrans-69.7-43.3174.9-69.4-171.3-65.100111.6D33 D65 D66 V67 L71 K72 K73D33-M69 WeakPolarHBondContact O-CE 3.33Å; D65-M69 WeakPolarHBondContact O-CG 3.4Å; D65-M69 PolarHBondContact O-N 3.27Å; D66-M69 HydrophobicContact CB-CE 4.45Å; D66-M69 PolarHBondContact O-N 3.44Å; D66-M69 VanDerWaalsContact O-N 3.16Å; D66-M69 WeakPolarHBondContact OD1-CE 3.42Å; V67-M69 VanDerWaalsContact C-N 3.31Å; V67-M69 PolarHBondContact O-N 3.23Å; M69-L71 VanDerWaalsContact C-N 3.34Å; M69-L71 PolarHBondContact O-N 2.81Å; M69-K72 WeakPolarHBondContact O-CB 3.46Å; M69-K72 PolarHBondContact O-N 3.03Å; M69-K72 VanDerWaalsContact O-N 3.1Å; M69-K73 PolarHBondContact O-N 2.78Å
70A85.3Confident83.3Confident0 Ų069 Ų690%036%0.364CS..Hα-helixtrans-61-41.9175.900000111.9V13 L31 L61 D66 V67 K72 K73 V85V13-A70 HydrophobicContact CG1-CB 4.16Å; L31-A70 HydrophobicContact CD2-CB 3.85Å; L61-A70 HydrophobicContact CD1-CB 4.16Å; D66-A70 WeakPolarHBondContact O-CB 3.49Å; D66-A70 PolarHBondContact O-N 2.77Å; V67-A70 PolarHBondContact O-N 3.29Å; A70-K72 PolarHBondContact O-N 3.22Å; A70-K73 WeakPolarHBondContact O-CB 3.45Å; A70-K73 PolarHBondContact O-N 3.06Å; A70-V85 HydrophobicContact CB-CG1 4.05Å
71L86.7Confident83.2Confident68 Ų6870.9 Ų70.936%0.35637%0.369SS..Hα-helixtrans-63.4-27.8175.5-72.5168.7000113.2V67 M69 K73 D74 V85 K87V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.4Å; V67-L71 WeakPolarHBondContact O-CB 3.39Å; V67-L71 VanDerWaalsContact O-CG 3.23Å; V67-L71 WeakPolarHBondContact O-CG 3.4Å; V67-L71 PolarHBondContact O-N 3.27Å; M69-L71 VanDerWaalsContact C-N 3.34Å; M69-L71 PolarHBondContact O-N 2.81Å; L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 PolarHBondContact O-N 2.8Å; L71-D74 VanDerWaalsContact O-CB 3.32Å; L71-D74 WeakPolarHBondContact O-CB 3.17Å; L71-D74 PolarHBondContact O-N 2.93Å; L71-V85 WeakPolarHBondContact CD2-O 3.4Å; L71-K87 HydrophobicContact CD1-CB 4.42Å; L71-K87 HydrophobicContact CD2-CB 4.4Å
72K88.1Confident83.3Confident177 Ų17777.5 Ų77.577%0.7740%0.395SS*.Hα-helixtrans-71.9-22173.7-72.6173.8-178.5177.20112.7K68 M69 A70K68-K72 WeakPolarHBondContact O-CG 3.23Å; K68-K72 PolarHBondContact O-N 2.96Å; M69-K72 WeakPolarHBondContact O-CB 3.46Å; M69-K72 PolarHBondContact O-N 3.03Å; M69-K72 VanDerWaalsContact O-N 3.1Å; A70-K72 PolarHBondContact O-N 3.22Å
73K82.1Confident83.7Confident29 Ų2975.6 Ų75.613%0.12638%0.375CS..THydrogen-bonded Turntrans-868.7174.1-63.6-165.5174.1-160.30113.3F30 D33 M69 A70 L71 R75 E76F30-K73 HydrophobicContact CE1-CB 4.21Å; F30-K73 HydrophobicContact CZ-CB 4.1Å; F30-K73 WeakPolarHBondContact CZ-O 2.93Å; F30-K73 VanDerWaalsContact O-CD 3.26Å; F30-K73 WeakPolarHBondContact O-CD 3.48Å; F30-K73 PolarHBondContact O-NZ 3.19Å; D33-K73 WeakPolarHBondContact OD2-CE 3.28Å; D33-K73 IonicContact OD2-NZ 2.73Å; D33-K73 PolarHBondContact OD2-NZ 3.29Å; M69-K73 PolarHBondContact O-N 2.78Å; A70-K73 WeakPolarHBondContact O-CB 3.45Å; A70-K73 PolarHBondContact O-N 3.06Å; L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 PolarHBondContact O-N 2.8Å; K73-R75 PolarHBondContact O-N 3.33Å; K73-E76 WeakPolarHBondContact CD-OE2 3.26Å; K73-E76 WeakPolarHBondContact CG-OE2 3.46Å; K73-E76 VanDerWaalsContact O-CB 3.28Å; K73-E76 WeakPolarHBondContact O-CB 3.33Å; K73-E76 PolarHBondContact O-N 2.98Å; K73-E76 VanDerWaalsContact O-N 3.14Å
74D85.8Confident83.9Confident63 Ų6375.9 Ų75.934%0.33737%0.372SS..THydrogen-bonded Turntrans-55.9134171.5-176.651.3000110.9L71 E76 E84 V85L71-D74 VanDerWaalsContact O-CB 3.32Å; L71-D74 WeakPolarHBondContact O-CB 3.17Å; L71-D74 PolarHBondContact O-N 2.93Å; D74-E76 VanDerWaalsContact C-N 3.26Å; D74-E76 PolarHBondContact O-N 2.89Å; D74-E84 VanDerWaalsContact OD1-CA 3.23Å; D74-E84 WeakPolarHBondContact OD1-CA 3.41Å; D74-V85 PolarHBondContact OD1-N 3.28Å
75R82.9Confident84.2Confident182 Ų18272.1 Ų72.169%0.68735%0.354SS*.THydrogen-bonded Turntrans69.212.5-176.3-53.9174.2174.8-163.1-5.2115.9K73 I83K73-R75 PolarHBondContact O-N 3.33Å; R75-I83 WeakPolarHBondContact CA-O 3.28Å; R75-I83 PolarHBondContact N-O 3.47Å
76E82.7Confident84.4Confident90 Ų9071.7 Ų71.742%0.42135%0.348SS..  trans-69.6139.2169.7-176.5170.4-168.400110.3F30 K73 D74 I83F30-E76 HydrophobicContact CD2-CG 4.46Å; F30-E76 HydrophobicContact CE2-CB 3.55Å; F30-E76 HydrophobicContact CE2-CG 3.7Å; F30-E76 HydrophobicContact CZ-CB 3.84Å; F30-E76 HydrophobicContact CZ-CG 4.45Å; K73-E76 WeakPolarHBondContact CD-OE2 3.26Å; K73-E76 WeakPolarHBondContact CG-OE2 3.46Å; K73-E76 VanDerWaalsContact O-CB 3.28Å; K73-E76 WeakPolarHBondContact O-CB 3.33Å; K73-E76 PolarHBondContact O-N 2.98Å; K73-E76 VanDerWaalsContact O-N 3.14Å; D74-E76 VanDerWaalsContact C-N 3.26Å; D74-E76 PolarHBondContact O-N 2.89Å; E76-I83 PolarHBondContact O-N 3.3Å
77S78.8Confident84.4Confident85 Ų8576.6 Ų76.659%0.59437%0.369SS*.EExtended strand (participates in β ladder)trans-88.4122.6-173.656.40000111.6R81S77-R81 CarbonylContact C-O 3.46Å; S77-R81 WeakPolarHBondContact CA-O 3.25Å
78M79Confident84.3Confident27 Ų2776.6 Ų76.613%0.13337%0.369CS..EExtended strand (participates in β ladder)trans-100.6100.1166.5-174.4-178.9-77.100109L18 P19 C22 D26 F30 H80 R81 I83L18-M78 HydrophobicContact CD2-CE 4.5Å; L18-M78 HydrophobicContact CD2-SD 4.3Å; P19-M78 HydrophobicContact CG-CG 4.2Å; P19-M78 HydrophobicContact CG-SD 4.06Å; C22-M78 VanDerWaalsContact SG-SD 3.66Å; D26-M78 HydrophobicContact CB-CE 4.05Å; D26-M78 HydrophobicContact CB-SD 3.98Å; D26-M78 WeakPolarHBondContact O-CE 3.45Å; F30-M78 HydrophobicContact CB-CE 3.49Å; F30-M78 VanDerWaalsContact CB-CE 3.49Å; F30-M78 HydrophobicContact CD2-CE 4.07Å; F30-M78 HydrophobicContact CG-CE 3.94Å; M78-H80 PolarHBondContact O-N 2.78Å; M78-R81 PolarHBondContact N-O 3.2Å; M78-R81 PolarHBondContact O-N 2.86Å; M78-I83 HydrophobicContact CB-CD1 3.37Å; M78-I83 HydrophobicContact CB-CG1 3.92Å; M78-I83 HydrophobicContact CE-CD1 3.46Å; M78-I83 VanDerWaalsContact CE-CD1 3.46Å; M78-I83 HydrophobicContact CG-CD1 4.14Å; M78-I83 HydrophobicContact SD-CD1 3.77Å
79G75.8Confident83.9Confident75 Ų7576.3 Ų76.377%0.77337%0.369SS*.THydrogen-bonded Turntrans66.3-117.4-173.300000111.5
80H76.6Confident83.4Confident167 Ų16778.2 Ų78.277%0.77337%0.372SS*.THydrogen-bonded Turntrans-97.25.6-178.468.1-83.9000113.8M78M78-H80 PolarHBondContact O-N 2.78Å
81R82.6Confident82.8Confident69 Ų6983.5 Ų83.526%0.2641%0.405SS..EExtended strand (participates in β ladder)trans-124.1139.2-178.1-65.6-174.659.4170.1-1110.4G17 L18 S77 M78G17-R81 VanDerWaalsContact CA-NH2 3.32Å; G17-R81 WeakPolarHBondContact O-CB 3.46Å; G17-R81 VanDerWaalsContact O-CZ 3.31Å; G17-R81 PolarHBondContact O-NE 3.1Å; G17-R81 PolarHBondContact O-NH2 3.25Å; L18-R81 VanDerWaalsContact O-CZ 3.31Å; L18-R81 PolarHBondContact O-NH1 2.9Å; S77-R81 CarbonylContact C-O 3.46Å; S77-R81 WeakPolarHBondContact CA-O 3.25Å; M78-R81 PolarHBondContact N-O 3.2Å; M78-R81 PolarHBondContact O-N 2.86Å
82Y87.6Confident82.2Confident147 Ų14783.8 Ų83.858%0.57640%0.404SS*.EExtended strand (participates in β ladder)trans-80.9140.9168.556.9-91.2000109.4E84Y82-E84 HydrophobicContact CD2-CG 4.09Å; Y82-E84 HydrophobicContact CE2-CG 4.13Å
83I90.1Very high81.6Confident0 Ų075.4 Ų75.40%037%0.368CS..PPolyproline II helixtrans-99.3130.1175.3-61.5178000108L15 R16 L18 F30 R75 E76 M78 V85L15-I83 HydrophobicContact CB-CG2 4.27Å; L15-I83 HydrophobicContact CD2-CG2 4.15Å; R16-I83 CarbonylContact O-C 3.5Å; R16-I83 WeakPolarHBondContact O-CA 3.34Å; L18-I83 HydrophobicContact CD2-CD1 3.49Å; L18-I83 VanDerWaalsContact CD2-CD1 3.49Å; L18-I83 HydrophobicContact CD2-CG1 4.03Å; L18-I83 HydrophobicContact CD2-CG2 4.35Å; F30-I83 HydrophobicContact CD1-CD1 4.28Å; F30-I83 HydrophobicContact CD2-CD1 3.8Å; F30-I83 HydrophobicContact CE1-CB 4.3Å; F30-I83 HydrophobicContact CE1-CD1 4.27Å; F30-I83 HydrophobicContact CE1-CG2 3.98Å; F30-I83 HydrophobicContact CE2-CB 4.14Å; F30-I83 HydrophobicContact CE2-CD1 3.74Å; F30-I83 HydrophobicContact CE2-CG1 4.36Å; F30-I83 HydrophobicContact CG-CD1 4.07Å; F30-I83 HydrophobicContact CZ-CB 3.77Å; F30-I83 HydrophobicContact CZ-CD1 4Å; F30-I83 HydrophobicContact CZ-CG1 4.42Å; F30-I83 HydrophobicContact CZ-CG2 3.96Å; R75-I83 WeakPolarHBondContact CA-O 3.28Å; R75-I83 PolarHBondContact N-O 3.47Å; E76-I83 PolarHBondContact O-N 3.3Å; M78-I83 HydrophobicContact CB-CD1 3.37Å; M78-I83 HydrophobicContact CB-CG1 3.92Å; M78-I83 HydrophobicContact CE-CD1 3.46Å; M78-I83 VanDerWaalsContact CE-CD1 3.46Å; M78-I83 HydrophobicContact CG-CD1 4.14Å; M78-I83 HydrophobicContact SD-CD1 3.77Å; I83-V85 HydrophobicContact CG2-CG2 4.27Å
84E87.9Confident81.1Confident48 Ų4876.8 Ų76.822%0.22438%0.377CS..EExtended strand (participates in β ladder)trans-97.2131.3170.3-61.3177.9160.900108.8L15 R16 D74 Y82 F86L15-E84 CarbonylContact C-O 3.57Å; L15-E84 WeakPolarHBondContact CA-O 3.27Å; R16-E84 HydrophobicContact CB-CB 4.32Å; R16-E84 PolarHBondContact N-O 2.85Å; R16-E84 PolarHBondContact O-N 3.24Å; D74-E84 VanDerWaalsContact OD1-CA 3.23Å; D74-E84 WeakPolarHBondContact OD1-CA 3.41Å; Y82-E84 HydrophobicContact CD2-CG 4.09Å; Y82-E84 HydrophobicContact CE2-CG 4.13Å; E84-F86 HydrophobicContact CB-CD2 4.34Å; E84-F86 HydrophobicContact CB-CE2 3.5Å; E84-F86 VanDerWaalsContact CB-CE2 3.5Å; E84-F86 HydrophobicContact CB-CZ 3.9Å
85V90.3Very high80.3Confident4 Ų477.9 Ų77.92%0.02438%0.376CS..EExtended strand (participates in β ladder)trans-113.3118-179.2-172.50000108.8V13 L15 F30 A70 L71 D74 I83V13-V85 HydrophobicContact CB-CG1 4.18Å; V13-V85 HydrophobicContact CG1-CG1 4.47Å; L15-V85 HydrophobicContact CD2-CB 4.21Å; L15-V85 HydrophobicContact CD2-CG1 3.92Å; L15-V85 HydrophobicContact CD2-CG2 3.65Å; F30-V85 HydrophobicContact CE1-CG2 3.96Å; F30-V85 HydrophobicContact CZ-CG2 4.39Å; A70-V85 HydrophobicContact CB-CG1 4.05Å; L71-V85 WeakPolarHBondContact CD2-O 3.4Å; D74-V85 PolarHBondContact OD1-N 3.28Å; I83-V85 HydrophobicContact CG2-CG2 4.27Å
86F88.5Confident79.7Confident92 Ų9270 Ų7040%0.40435%0.348SS..EExtended strand (participates in β ladder)trans-112.5142.8177.2-59.1-83.8000110.2V13 K14 R16 E84 S88V13-F86 CarbonylContact C-O 3.58Å; V13-F86 VanDerWaalsContact CA-O 3.27Å; V13-F86 WeakPolarHBondContact CA-O 3.26Å; K14-F86 HydrophobicContact CB-CB 4.28Å; K14-F86 PolarHBondContact N-O 3.15Å; K14-F86 PolarHBondContact O-N 3.4Å; R16-F86 HydrophobicContact CB-CE2 4.14Å; E84-F86 HydrophobicContact CB-CD2 4.34Å; E84-F86 HydrophobicContact CB-CE2 3.5Å; E84-F86 VanDerWaalsContact CB-CE2 3.5Å; E84-F86 HydrophobicContact CB-CZ 3.9Å; F86-S88 PolarHBondContact O-N 2.77Å
87K85.8Confident79.1Confident112 Ų11268 Ų6849%0.48734%0.34SS..EExtended strand (participates in β ladder)trans-72.7126.4165.9-180177.4177.1178.40108V67 L71V67-K87 HydrophobicContact CG1-CB 4.29Å; V67-K87 HydrophobicContact CG1-CD 4.19Å; V67-K87 HydrophobicContact CG1-CG 4.01Å; L71-K87 HydrophobicContact CD1-CB 4.42Å; L71-K87 HydrophobicContact CD2-CB 4.4Å
88S81.4Confident78.4Confident5 Ų570.9 Ų70.94%0.03534%0.342CS..EExtended strand (participates in β ladder)trans-126.6166.9176.3-840000110.6V12 K14 F86 E92V12-S88 CarbonylContact C-O 3.57Å; V12-S88 CarbonylContact O-C 3.52Å; V12-S88 PolarHBondContact O-N 3.33Å; K14-S88 WeakPolarHBondContact CB-OG 3.15Å; F86-S88 PolarHBondContact O-N 2.77Å; S88-E92 VanDerWaalsContact CB-OE2 3.27Å; S88-E92 WeakPolarHBondContact CB-OE2 3.27Å; S88-E92 PolarHBondContact OG-OE2 3.17Å
89H79.3Confident77.4Confident90 Ų9071.4 Ų71.442%0.41734%0.344SS..EExtended strand (participates in β ladder)trans-103.1150.8177.4-66.5-82.6000110.6T91 E92 M93H89-T91 PolarHBondContact O-N 2.82Å; H89-E92 WeakPolarHBondContact O-CA 3.48Å; H89-E92 WeakPolarHBondContact O-CB 3.43Å; H89-E92 PolarHBondContact O-N 2.83Å; H89-M93 PolarHBondContact O-N 3.42Å
90R73.7Confident76.5Confident112 Ų11269.4 Ų69.442%0.42332%0.319SS..Hα-helixtrans-53.9-37.6173.9-170.3179.7-177.5176.65.6113.1V12 E92 M93 D94V12-R90 HydrophobicContact CG2-CB 4.08Å; R90-E92 VanDerWaalsContact C-N 3.33Å; R90-E92 PolarHBondContact O-N 3.18Å; R90-M93 HydrophobicContact CG-CE 4.29Å; R90-M93 PolarHBondContact O-N 2.73Å; R90-D94 WeakPolarHBondContact O-CB 3.19Å; R90-D94 PolarHBondContact O-N 2.97Å
91T73.4Confident75.1Confident111 Ų11162.7 Ų62.768%0.68130%0.295SS*.Hα-helixtrans-63.1-37.9175.547.70000112.6H89 W95H89-T91 PolarHBondContact O-N 2.82Å; T91-W95 WeakPolarHBondContact O-CB 3.28Å; T91-W95 PolarHBondContact O-N 2.78Å
92E73.1Confident73.2Confident74 Ų7463.8 Ų63.835%0.34631%0.311SS..Hα-helixtrans-68.1-46.1175.7-173-172178.800110.5S88 H89 R90 W95 V96S88-E92 VanDerWaalsContact CB-OE2 3.27Å; S88-E92 WeakPolarHBondContact CB-OE2 3.27Å; S88-E92 PolarHBondContact OG-OE2 3.17Å; H89-E92 WeakPolarHBondContact O-CA 3.48Å; H89-E92 WeakPolarHBondContact O-CB 3.43Å; H89-E92 PolarHBondContact O-N 2.83Å; R90-E92 VanDerWaalsContact C-N 3.33Å; R90-E92 PolarHBondContact O-N 3.18Å; E92-W95 PolarHBondContact O-N 3.42Å; E92-V96 HydrophobicContact CG-CG2 4.44Å; E92-V96 VanDerWaalsContact O-CG2 3.28Å; E92-V96 WeakPolarHBondContact O-CG2 3.28Å; E92-V96 PolarHBondContact O-N 3.14Å
93M77.5Confident71.1Confident1 Ų164.2 Ų64.21%0.00532%0.323CS..Hα-helixtrans-59.7-52176.3179.8-16575.500111.8V12 H44 F58 E60 H89 R90 W95 V96 L97V12-M93 HydrophobicContact CG1-CB 4.05Å; V12-M93 HydrophobicContact CG1-CG 4.32Å; V12-M93 HydrophobicContact CG1-SD 3.89Å; V12-M93 HydrophobicContact CG2-SD 4.21Å; H44-M93 PolarHBondContact CD2-SD 3.09Å; F58-M93 HydrophobicContact CB-CB 4.25Å; F58-M93 HydrophobicContact CB-CG 3.55Å; F58-M93 HydrophobicContact CB-SD 3.99Å; F58-M93 HydrophobicContact CD1-CB 4.01Å; F58-M93 HydrophobicContact CD1-CG 4.21Å; F58-M93 HydrophobicContact CD2-CG 4.15Å; F58-M93 HydrophobicContact CE1-CB 4.48Å; F58-M93 HydrophobicContact CG-CB 4.03Å; F58-M93 HydrophobicContact CG-CG 3.73Å; E60-M93 HydrophobicContact CG-CE 3.96Å; E60-M93 HydrophobicContact CG-SD 3.64Å; E60-M93 WeakPolarHBondContact OE1-CE 3.49Å; H89-M93 PolarHBondContact O-N 3.42Å; R90-M93 HydrophobicContact CG-CE 4.29Å; R90-M93 PolarHBondContact O-N 2.73Å; M93-W95 PolarHBondContact O-N 2.87Å; M93-V96 PolarHBondContact O-N 2.85Å; M93-L97 HydrophobicContact CE-CD1 4.34Å; M93-L97 HydrophobicContact CG-CD1 3.59Å; M93-L97 HydrophobicContact CG-CG 4.2Å; M93-L97 WeakPolarHBondContact O-CB 3.18Å; M93-L97 VanDerWaalsContact O-CG 3.27Å; M93-L97 WeakPolarHBondContact O-CG 3.33Å; M93-L97 PolarHBondContact O-N 3.33Å; M93-L97 HydrophobicContact SD-CD1 4.2Å
94D69.8Low68.9Low59 Ų5965.9 Ų65.932%0.31634%0.335SS..Hα-helixtrans-58.4-39.8178-85.3-8.5000111.2R90 K98R90-D94 WeakPolarHBondContact O-CB 3.19Å; R90-D94 PolarHBondContact O-N 2.97Å; D94-K98 VanDerWaalsContact O-CB 3.31Å; D94-K98 WeakPolarHBondContact O-CB 3.27Å; D94-K98 VanDerWaalsContact O-CD 3.27Å; D94-K98 WeakPolarHBondContact O-CD 3.32Å; D94-K98 WeakPolarHBondContact O-CG 3.5Å; D94-K98 PolarHBondContact O-N 3.11Å; D94-K98 VanDerWaalsContact O-N 3.11Å
95W69.1Low66.8Low85 Ų8567.4 Ų67.432%0.32236%0.355SS..Hα-helixtrans-64.8-50.9175.7-17684.1000110.9T91 E92 M93 L97 K98 H99T91-W95 WeakPolarHBondContact O-CB 3.28Å; T91-W95 PolarHBondContact O-N 2.78Å; E92-W95 PolarHBondContact O-N 3.42Å; M93-W95 PolarHBondContact O-N 2.87Å; W95-L97 PolarHBondContact O-N 3.38Å; W95-K98 PolarHBondContact O-N 3.47Å; W95-H99 AromaticContact CD1-CE1 3.66Å; W95-H99 AromaticContact CD1-ND1 3.95Å; W95-H99 AromaticContact NE1-CE1 3.47Å; W95-H99 PolarHBondContact NE1-CE1 2.99Å; W95-H99 AromaticContact NE1-ND1 3.88Å; W95-H99 AromaticContact NE1-NE2 3.88Å; W95-H99 PolarHBondContact O-N 2.72Å; W95-H99 PolarHBondContact O-ND1 3.3Å
96V70Confident64.7Low17 Ų1772.5 Ų72.510%0.10338%0.382CS..Hα-helixtrans-65.4-38.7-178.3179.10000112I46 F58 E92 M93 H99 S100I46-V96 HydrophobicContact CD1-CG1 3.8Å; I46-V96 HydrophobicContact CG1-CG1 4.32Å; I46-V96 HydrophobicContact CG2-CG1 4.5Å; F58-V96 HydrophobicContact CE2-CB 3.66Å; F58-V96 HydrophobicContact CE2-CG1 3.64Å; F58-V96 HydrophobicContact CE2-CG2 4.08Å; F58-V96 HydrophobicContact CZ-CB 4.01Å; F58-V96 HydrophobicContact CZ-CG1 4.25Å; F58-V96 HydrophobicContact CZ-CG2 3.91Å; E92-V96 HydrophobicContact CG-CG2 4.44Å; E92-V96 VanDerWaalsContact O-CG2 3.28Å; E92-V96 WeakPolarHBondContact O-CG2 3.28Å; E92-V96 PolarHBondContact O-N 3.14Å; M93-V96 PolarHBondContact O-N 2.85Å; V96-H99 CarbonylContact O-C 3.56Å; V96-H99 PolarHBondContact O-N 2.82Å; V96-S100 VanDerWaalsContact CG1-OG 3.27Å; V96-S100 WeakPolarHBondContact CG1-OG 3.34Å; V96-S100 WeakPolarHBondContact O-CB 3.49Å; V96-S100 PolarHBondContact O-N 3.35Å; V96-S100 PolarHBondContact O-OG 3.03Å
97L70.1Confident62.7Low48 Ų4868.9 Ų68.925%0.25137%0.369SS..Hα-helixtrans-67.7-36.6178.1-69.3172.2000112.6H44 M93 W95 H99H44-L97 HydrophobicContact CB-CD1 3.58Å; H44-L97 HydrophobicContact CB-CD2 3.59Å; H44-L97 HydrophobicContact CB-CG 4.16Å; H44-L97 VanDerWaalsContact CG-CD1 3.47Å; M93-L97 HydrophobicContact CE-CD1 4.34Å; M93-L97 HydrophobicContact CG-CD1 3.59Å; M93-L97 HydrophobicContact CG-CG 4.2Å; M93-L97 WeakPolarHBondContact O-CB 3.18Å; M93-L97 VanDerWaalsContact O-CG 3.27Å; M93-L97 WeakPolarHBondContact O-CG 3.33Å; M93-L97 PolarHBondContact O-N 3.33Å; M93-L97 HydrophobicContact SD-CD1 4.2Å; W95-L97 PolarHBondContact O-N 3.38Å; L97-H99 PolarHBondContact O-N 3.21Å
98K64Low60.8Low146 Ų14666.6 Ų66.664%0.63537%0.371SS*.Hα-helixtrans-66.5-25.7173.3-72.8169.7-171.8174.10112.6D94 W95 S104D94-K98 VanDerWaalsContact O-CB 3.31Å; D94-K98 WeakPolarHBondContact O-CB 3.27Å; D94-K98 VanDerWaalsContact O-CD 3.27Å; D94-K98 WeakPolarHBondContact O-CD 3.32Å; D94-K98 WeakPolarHBondContact O-CG 3.5Å; D94-K98 PolarHBondContact O-N 3.11Å; D94-K98 VanDerWaalsContact O-N 3.11Å; W95-K98 PolarHBondContact O-N 3.47Å; K98-S104 WeakPolarHBondContact O-CB 3.39Å
99H59.7Low59.4Low37 Ų3769.1 Ų69.117%0.17138%0.384CS..Hα-helixtrans-105.4-17.7-175.2-66.674.7000114.8W95 V96 L97 S104 S107W95-H99 AromaticContact CD1-CE1 3.66Å; W95-H99 AromaticContact CD1-ND1 3.95Å; W95-H99 AromaticContact NE1-CE1 3.47Å; W95-H99 PolarHBondContact NE1-CE1 2.99Å; W95-H99 AromaticContact NE1-ND1 3.88Å; W95-H99 AromaticContact NE1-NE2 3.88Å; W95-H99 PolarHBondContact O-N 2.72Å; W95-H99 PolarHBondContact O-ND1 3.3Å; V96-H99 CarbonylContact O-C 3.56Å; V96-H99 PolarHBondContact O-N 2.82Å; L97-H99 PolarHBondContact O-N 3.21Å; H99-S104 PolarHBondContact O-OG 3.5Å; H99-S107 WeakPolarHBondContact CA-OG 3.07Å; H99-S107 PolarHBondContact CD2-OG 3.39Å; H99-S107 VanDerWaalsContact CD2-OG 3.3Å; H99-S107 PolarHBondContact O-OG 2.92Å
100S55.2Low58.4Low34 Ų3467.4 Ų67.424%0.23838%0.377CS..SBendtrans-105.17.7-176.7-51.20000113.9V96V96-S100 VanDerWaalsContact CG1-OG 3.27Å; V96-S100 WeakPolarHBondContact CG1-OG 3.34Å; V96-S100 WeakPolarHBondContact O-CB 3.49Å; V96-S100 PolarHBondContact O-N 3.35Å; V96-S100 PolarHBondContact O-OG 3.03Å
101G47.5Very low58.1Low26 Ų2662.2 Ų62.227%0.26836%0.359SS..SBendtrans-77147.3173.800000111.8N103 S104G101-N103 PolarHBondContact O-N 2.78Å; G101-S104 PolarHBondContact O-N 2.82Å; G101-S104 PolarHBondContact O-OG 2.85Å
102P44.2Very low58.4Low92 Ų9257.3 Ų57.360%0.59733%0.328SS*.THydrogen-bonded Turntrans-63.53171.925.5-32.6000114.2
103N42Very low58.9Low155 Ų15553.9 Ų53.983%0.82931%0.313SS*.THydrogen-bonded Turntrans-126.121.5178.4-84.8-14.1000113.7G101 A105G101-N103 PolarHBondContact O-N 2.78Å; N103-A105 PolarHBondContact O-N 3.48Å
104S43.6Very low59.4Low36 Ų3655.6 Ų55.625%0.25232%0.319SS..  trans-76.768.8172.658.40000111.7K98 H99 G101 D106 S107K98-S104 WeakPolarHBondContact O-CB 3.39Å; H99-S104 PolarHBondContact O-OG 3.5Å; G101-S104 PolarHBondContact O-N 2.82Å; G101-S104 PolarHBondContact O-OG 2.85Å; S104-D106 PolarHBondContact O-N 3.01Å; S104-D106 VanDerWaalsContact O-N 3.1Å; S104-S107 VanDerWaalsContact CB-OG 3.28Å; S104-S107 WeakPolarHBondContact CB-OG 3.23Å; S104-S107 PolarHBondContact O-N 3.33Å; S104-S107 PolarHBondContact OG-OG 2.97Å
105A43.9Very low60.2Low79 Ų7952.8 Ų52.865%0.65330%0.304SS*.THydrogen-bonded Turntrans-57.7-14.3162.100000112N103N103-A105 PolarHBondContact O-N 3.48Å
106D46.2Very low61Low111 Ų11154.5 Ų54.559%0.59431%0.31SS*.THydrogen-bonded Turntrans-97.4-6.2-178.8-63.1-33.5000114.9S104 A108 N109S104-D106 PolarHBondContact O-N 3.01Å; S104-D106 VanDerWaalsContact O-N 3.1Å; D106-A108 PolarHBondContact O-N 3.4Å; D106-N109 PolarHBondContact O-N 3.31Å; D106-N109 VanDerWaalsContact O-N 3.11Å
107S47.1Very low61.6Low17 Ų1754.6 Ų54.612%0.11931%0.314CS..THydrogen-bonded Turntrans-72.1-2.3169.4-60.50000113.3H99 S104H99-S107 WeakPolarHBondContact CA-OG 3.07Å; H99-S107 PolarHBondContact CD2-OG 3.39Å; H99-S107 VanDerWaalsContact CD2-OG 3.3Å; H99-S107 PolarHBondContact O-OG 2.92Å; S104-S107 VanDerWaalsContact CB-OG 3.28Å; S104-S107 WeakPolarHBondContact CB-OG 3.23Å; S104-S107 PolarHBondContact O-N 3.33Å; S104-S107 PolarHBondContact OG-OG 2.97Å
108A47Very low62.3Low64 Ų6452.3 Ų52.353%0.52930%0.303SS..THydrogen-bonded Turntrans-89.4-2.6170.200000113.2D106D106-A108 PolarHBondContact O-N 3.4Å
109N50.6Low63.2Low58 Ų5846.1 Ų46.131%0.3128%0.277SS..  trans-136.527.4-153.7-82.1-20.4000114D106 G111 Q162D106-N109 PolarHBondContact O-N 3.31Å; D106-N109 VanDerWaalsContact O-N 3.11Å; N109-G111 PolarHBondContact O-N 2.94Å; N109-Q162 HydrophobicContact CB-CG 4.05Å; N109-Q162 VanDerWaalsContact CG-CD 3.48Å; N109-Q162 PolarHBondContact ND2-NE2 3.3Å; N109-Q162 WeakPolarHBondContact O-CG 3.13Å; N109-Q162 PolarHBondContact OD1-NE2 3.17Å
110D58.7Low64Low53 Ų5351.8 Ų51.828%0.28330%0.301SS..SBendtrans-73.519.5-172.6-14524.2000113.9F112D110-F112 HydrophobicContact CB-CD2 3.98Å; D110-F112 WeakPolarHBondContact O-CD2 3.49Å; D110-F112 PolarHBondContact O-N 2.79Å; D110-F112 VanDerWaalsContact O-N 3.14Å
111G67.5Low65Low4 Ų453 Ų534%0.04132%0.319CS..SBendtrans64.616.3-179.500000114N109 F159N109-G111 PolarHBondContact O-N 2.94Å; G111-F159 WeakPolarHBondContact O-CD2 3.42Å; G111-F159 PolarHBondContact O-N 2.81Å
112F78.8Confident66.5Low8 Ų852.1 Ų52.14%0.03531%0.309CS..EExtended strand (participates in β ladder)trans-90.9138179.5-83.5-89.7000112.1D110 Q158 S186 Q188 V191D110-F112 HydrophobicContact CB-CD2 3.98Å; D110-F112 WeakPolarHBondContact O-CD2 3.49Å; D110-F112 PolarHBondContact O-N 2.79Å; D110-F112 VanDerWaalsContact O-N 3.14Å; F112-Q158 HydrophobicContact CD1-CB 4.09Å; F112-Q158 HydrophobicContact CD1-CG 4.46Å; F112-Q158 HydrophobicContact CD2-CG 4.26Å; F112-Q158 HydrophobicContact CE1-CB 3.5Å; F112-Q158 VanDerWaalsContact CE1-CB 3.5Å; F112-Q158 HydrophobicContact CE1-CG 3.84Å; F112-Q158 HydrophobicContact CE2-CB 4.22Å; F112-Q158 HydrophobicContact CE2-CG 3.6Å; F112-Q158 HydrophobicContact CZ-CB 3.56Å; F112-Q158 HydrophobicContact CZ-CG 3.34Å; F112-S186 CarbonylContact C-O 3.53Å; F112-S186 WeakPolarHBondContact CB-O 3.49Å; F112-S186 PolarHBondContact O-N 2.86Å; F112-S186 VanDerWaalsContact O-N 3.08Å; F112-Q188 HydrophobicContact CD2-CB 3.86Å; F112-Q188 HydrophobicContact CE2-CB 3.63Å; F112-Q188 HydrophobicContact CE2-CG 4.01Å; F112-Q188 HydrophobicContact CG-CB 4.49Å; F112-Q188 HydrophobicContact CZ-CB 4.07Å; F112-Q188 HydrophobicContact CZ-CG 4.07Å; F112-V191 HydrophobicContact CD1-CG2 3.82Å; F112-V191 HydrophobicContact CE1-CG2 4.07Å
113V85.4Confident68.3Low2 Ų250.4 Ų50.41%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-134.2130.2-178.91760000108.9L115 F156 V157 F159 A165 A168 V183 F184V113-L115 HydrophobicContact CG1-CD2 4.04Å; V113-F156 WeakPolarHBondContact O-CA 3.37Å; V113-V157 PolarHBondContact N-O 3.26Å; V113-V157 PolarHBondContact O-N 3.39Å; V113-F159 HydrophobicContact CB-CD2 4.32Å; V113-F159 HydrophobicContact CB-CE2 3.82Å; V113-F159 HydrophobicContact CG1-CE2 4.49Å; V113-F159 HydrophobicContact CG2-CD2 3.8Å; V113-F159 HydrophobicContact CG2-CE2 3.58Å; V113-A165 HydrophobicContact CG2-CB 3.75Å; V113-A168 HydrophobicContact CG2-CB 4.33Å; V113-V183 HydrophobicContact CG1-CB 4.46Å; V113-V183 HydrophobicContact CG1-CG1 3.1Å; V113-F184 CarbonylContact C-O 3.6Å; V113-F184 WeakPolarHBondContact CA-O 3.47Å; V113-F184 WeakPolarHBondContact CG1-O 3.38Å
114R86.3Confident70.2Confident37 Ų3748.9 Ų48.914%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-95.5127.2173-176.2175.969.186.64.3109.4E154 A155 F156 F184 E190R114-E154 IonicContact NH1-OE1 2.84Å; R114-A155 CarbonylContact C-O 3.52Å; R114-A155 WeakPolarHBondContact CA-O 3.38Å; R114-F156 HydrophobicContact CB-CD1 3.92Å; R114-F156 HydrophobicContact CB-CE1 3.93Å; R114-F156 HydrophobicContact CG-CD1 3.96Å; R114-F156 HydrophobicContact CG-CE1 3.63Å; R114-F156 HydrophobicContact CG-CZ 4.22Å; R114-F184 HydrophobicContact CB-CB 4.43Å; R114-F184 PolarHBondContact N-O 2.86Å; R114-F184 VanDerWaalsContact NH2-CD2 3.26Å; R114-F184 PolarHBondContact O-N 2.81Å; R114-E190 IonicContact NE-OE1 3.17Å
115L88.1Confident72.1Confident0 Ų052.3 Ų52.30%030%0.295CS..EExtended strand (participates in β ladder)trans-99.7134.4172-48.5179.5000108.6V113 L118 I127 F131 E154 A155 V157 I181 E182 V183V113-L115 HydrophobicContact CG1-CD2 4.04Å; L115-L118 HydrophobicContact CB-CD1 4Å; L115-L118 HydrophobicContact CB-CD2 4.47Å; L115-L118 HydrophobicContact CB-CG 4.2Å; L115-L118 HydrophobicContact CD1-CD1 4.22Å; L115-L118 HydrophobicContact CD1-CD2 4.26Å; L115-I127 HydrophobicContact CD1-CG1 4.47Å; L115-I127 HydrophobicContact CD1-CG2 3.77Å; L115-F131 HydrophobicContact CD1-CE2 3.7Å; L115-F131 HydrophobicContact CD1-CZ 4.37Å; L115-F131 HydrophobicContact CD2-CE2 3.67Å; L115-F131 HydrophobicContact CD2-CZ 3.49Å; L115-F131 VanDerWaalsContact CD2-CZ 3.49Å; L115-F131 HydrophobicContact CG-CE2 4.26Å; L115-E154 CarbonylContact O-C 3.55Å; L115-E154 VanDerWaalsContact O-CA 3.25Å; L115-E154 WeakPolarHBondContact O-CA 3.34Å; L115-A155 HydrophobicContact CB-CB 4.32Å; L115-A155 HydrophobicContact CD1-CB 4.3Å; L115-A155 PolarHBondContact N-O 3.14Å; L115-A155 PolarHBondContact O-N 2.67Å; L115-V157 HydrophobicContact CD1-CG2 3.79Å; L115-V157 HydrophobicContact CG-CG2 4.23Å; L115-I181 HydrophobicContact CB-CG2 4.11Å; L115-I181 HydrophobicContact CD2-CG2 4.36Å; L115-E182 CarbonylContact C-O 3.48Å; L115-E182 WeakPolarHBondContact CA-O 3.39Å; L115-V183 HydrophobicContact CD2-CB 4.42Å; L115-V183 HydrophobicContact CD2-CG1 4.05Å; L115-V183 HydrophobicContact CD2-CG2 3.96Å
116R85.9Confident74Confident121 Ų12152.1 Ų52.146%0.45728%0.281SS..EExtended strand (participates in β ladder)trans-126.1146171.7-169.9-175.2-169.6-165.32.2109.6E154 I181 E182 F184R116-E154 HydrophobicContact CG-CG 4.4Å; R116-E154 IonicContact NE-OE1 3.89Å; R116-I181 WeakPolarHBondContact O-CA 3.25Å; R116-E182 HydrophobicContact CB-CB 4.27Å; R116-E182 PolarHBondContact N-O 2.83Å; R116-E182 PolarHBondContact O-N 3.08Å; R116-F184 HydrophobicContact CB-CD2 4.48Å; R116-F184 HydrophobicContact CB-CE2 4.12Å
117G82.4Confident75.8Confident18 Ų1846.8 Ų46.819%0.18625%0.252CS..  trans91.817.8176.900000113.7G153 R179 I181G117-G153 PolarHBondContact N-O 3.15Å; G117-R179 WeakPolarHBondContact O-CB 3.47Å; G117-R179 PolarHBondContact O-NE 3.32Å; G117-R179 PolarHBondContact O-NH1 2.99Å; G117-I181 VanDerWaalsContact O-CD1 3.22Å; G117-I181 WeakPolarHBondContact O-CD1 3.35Å
118L84.4Confident77.5Confident1 Ų150.2 Ų50.21%0.00527%0.268CS..  trans-68.7130.9178-67.6169.1000112.7L115 C122 I127 L143 G153 A155 I176 R179 I181L115-L118 HydrophobicContact CB-CD1 4Å; L115-L118 HydrophobicContact CB-CD2 4.47Å; L115-L118 HydrophobicContact CB-CG 4.2Å; L115-L118 HydrophobicContact CD1-CD1 4.22Å; L115-L118 HydrophobicContact CD1-CD2 4.26Å; L118-C122 HydrophobicContact CB-CB 4.22Å; L118-I127 HydrophobicContact CD1-CD1 3.97Å; L118-I127 HydrophobicContact CD2-CG1 4.33Å; L118-L143 HydrophobicContact CD1-CD2 4.39Å; L118-G153 PolarHBondContact N-O 3Å; L118-G153 WeakPolarHBondContact O-CA 3.41Å; L118-A155 HydrophobicContact CD1-CB 3.29Å; L118-I176 HydrophobicContact CD2-CD1 3.8Å; L118-R179 VanDerWaalsContact C-NH1 3.32Å; L118-R179 PolarHBondContact O-NH1 3.23Å; L118-R179 PolarHBondContact O-NH2 2.98Å; L118-I181 HydrophobicContact CD2-CD1 3.82Å; L118-I181 HydrophobicContact CD2-CG1 4.27Å; L118-I181 HydrophobicContact CD2-CG2 4.25Å; L118-I181 HydrophobicContact CG-CD1 4.37Å
119P82.5Confident79.2Confident16 Ų1654 Ų5410%0.10428%0.275CS..  trans-49.7145.8176.911.5-19.9000112.4G121 C122 I151 I176 R179P119-G121 PolarHBondContact O-N 3.34Å; P119-C122 HydrophobicContact CB-CB 4.5Å; P119-C122 HydrophobicContact CG-CB 3.93Å; P119-C122 WeakPolarHBondContact O-CB 3.38Å; P119-C122 PolarHBondContact O-N 3.2Å; P119-I151 VanDerWaalsContact O-CD1 3.3Å; P119-I151 WeakPolarHBondContact O-CD1 3.3Å; P119-I176 HydrophobicContact CG-CB 4.43Å; P119-I176 HydrophobicContact CG-CG2 3.88Å; P119-R179 VanDerWaalsContact CA-CZ 3.45Å
120F77.1Confident80.7Confident155 Ų15552.2 Ų52.268%0.6826%0.264SS*.THydrogen-bonded Turntrans-66.5-7.2-178.9-61.7-65.6000114.4I151F120-I151 VanDerWaalsContact C-CD1 3.44Å; F120-I151 WeakPolarHBondContact CD1-O 3.33Å; F120-I151 VanDerWaalsContact O-CD1 3.31Å; F120-I151 WeakPolarHBondContact O-CD1 3.45Å; F120-I151 WeakPolarHBondContact O-CG1 3.29Å
121G75.6Confident81.7Confident59 Ų5949.7 Ų49.761%0.60825%0.251SS*.THydrogen-bonded Turntrans-106.110.9170.400000113.6P119 T123P119-G121 PolarHBondContact O-N 3.34Å; G121-T123 PolarHBondContact O-N 3.34Å
122C79.8Confident82.1Confident8 Ų853.3 Ų53.35%0.05428%0.276CS..  trans-71.7121.5-174.4-163.20000110.8L118 P119 E126L118-C122 HydrophobicContact CB-CB 4.22Å; P119-C122 HydrophobicContact CB-CB 4.5Å; P119-C122 HydrophobicContact CG-CB 3.93Å; P119-C122 WeakPolarHBondContact O-CB 3.38Å; P119-C122 PolarHBondContact O-N 3.2Å; C122-E126 VanDerWaalsContact CA-OE2 3.3Å; C122-E126 WeakPolarHBondContact CA-OE2 3.48Å; C122-E126 PolarHBondContact SG-OE2 3.1Å
123T81.8Confident81.8Confident57 Ų5756.9 Ų56.935%0.3531%0.314SS..  trans-95162.7175.270.90000110.9G121 E125 E126 I127G121-T123 PolarHBondContact O-N 3.34Å; T123-E125 WeakPolarHBondContact CB-OE2 3.11Å; T123-E125 PolarHBondContact O-N 3.14Å; T123-E125 VanDerWaalsContact O-N 3.16Å; T123-E125 PolarHBondContact OG1-N 3.02Å; T123-E125 PolarHBondContact OG1-OE2 3.3Å; T123-E126 PolarHBondContact O-N 2.63Å; T123-E126 VanDerWaalsContact O-N 3.08Å; T123-I127 PolarHBondContact O-N 3.08Å
124K82.2Confident81.5Confident122 Ų12258 Ų5853%0.5332%0.32SS..Hα-helixtrans-53.8-32.2171.665.6-176.6-179.4-178.50112.4I127 I128 I141K124-I127 PolarHBondContact O-N 3Å; K124-I128 WeakPolarHBondContact O-CD1 3.47Å; K124-I128 VanDerWaalsContact O-CG1 3.25Å; K124-I128 WeakPolarHBondContact O-CG1 3.16Å; K124-I128 PolarHBondContact O-N 3.19Å; K124-I141 HydrophobicContact CB-CD1 4.49Å
125E83.3Confident80.9Confident109 Ų10963 Ų6351%0.50935%0.345SS..Hα-helixtrans-67-39.2178.5-59.891.1-151.300111.8T123 I127 I128 Q129T123-E125 WeakPolarHBondContact CB-OE2 3.11Å; T123-E125 PolarHBondContact O-N 3.14Å; T123-E125 VanDerWaalsContact O-N 3.16Å; T123-E125 PolarHBondContact OG1-N 3.02Å; T123-E125 PolarHBondContact OG1-OE2 3.3Å; E125-I127 VanDerWaalsContact C-N 3.32Å; E125-I127 PolarHBondContact O-N 3.11Å; E125-I128 PolarHBondContact O-N 3.19Å; E125-Q129 WeakPolarHBondContact O-CB 3.44Å; E125-Q129 PolarHBondContact O-N 3.34Å
126E84.1Confident80.4Confident74 Ų7464.3 Ų64.335%0.34635%0.352SS..Hα-helixtrans-65.1-37.2176.3-67.6-174.3171.300111.9C122 T123 Q129 F130C122-E126 VanDerWaalsContact CA-OE2 3.3Å; C122-E126 WeakPolarHBondContact CA-OE2 3.48Å; C122-E126 PolarHBondContact SG-OE2 3.1Å; T123-E126 PolarHBondContact O-N 2.63Å; T123-E126 VanDerWaalsContact O-N 3.08Å; E126-Q129 PolarHBondContact O-N 3.32Å; E126-F130 WeakPolarHBondContact O-CB 3.2Å; E126-F130 PolarHBondContact O-N 3Å
127I83.2Confident79.8Confident0 Ų060.7 Ų60.70%034%0.343CS..Hα-helixtrans-65.5-41.6175.4-61.9171.1000110.5L115 L118 T123 K124 E125 Q129 F130 F131 I141 L143 A155 V157L115-I127 HydrophobicContact CD1-CG1 4.47Å; L115-I127 HydrophobicContact CD1-CG2 3.77Å; L118-I127 HydrophobicContact CD1-CD1 3.97Å; L118-I127 HydrophobicContact CD2-CG1 4.33Å; T123-I127 PolarHBondContact O-N 3.08Å; K124-I127 PolarHBondContact O-N 3Å; E125-I127 VanDerWaalsContact C-N 3.32Å; E125-I127 PolarHBondContact O-N 3.11Å; I127-Q129 VanDerWaalsContact C-N 3.31Å; I127-Q129 PolarHBondContact O-N 3.29Å; I127-F130 PolarHBondContact O-N 3.45Å; I127-F131 HydrophobicContact CG2-CD2 3.98Å; I127-F131 HydrophobicContact CG2-CE2 4.18Å; I127-F131 WeakPolarHBondContact O-CD2 3.39Å; I127-F131 PolarHBondContact O-N 2.86Å; I127-I141 HydrophobicContact CB-CD1 4.47Å; I127-I141 HydrophobicContact CD1-CG2 4.15Å; I127-I141 HydrophobicContact CG2-CD1 4.19Å; I127-L143 HydrophobicContact CD1-CD1 4.42Å; I127-L143 HydrophobicContact CD1-CD2 3.96Å; I127-L143 HydrophobicContact CD1-CG 4.45Å; I127-A155 HydrophobicContact CD1-CB 4.02Å; I127-V157 HydrophobicContact CG2-CG2 3.73Å
128I82.4Confident78.6Confident88 Ų8865.1 Ų65.145%0.45137%0.369SS..Hα-helixtrans-63.2-40.1174.5-66.4163.3000110.6K124 E125 F131 S132 I141K124-I128 WeakPolarHBondContact O-CD1 3.47Å; K124-I128 VanDerWaalsContact O-CG1 3.25Å; K124-I128 WeakPolarHBondContact O-CG1 3.16Å; K124-I128 PolarHBondContact O-N 3.19Å; E125-I128 PolarHBondContact O-N 3.19Å; I128-F131 CarbonylContact O-C 3.44Å; I128-F131 VanDerWaalsContact O-C 3.28Å; I128-F131 PolarHBondContact O-N 2.93Å; I128-S132 PolarHBondContact O-N 3.07Å; I128-I141 HydrophobicContact CD1-CD1 4.14Å; I128-I141 HydrophobicContact CG1-CD1 3.66Å
129Q82.3Confident77.6Confident144 Ų14473 Ų7367%0.67341%0.411SS*.Hα-helixtrans-68.3-39.9178-171.7177-4.800112.4E125 E126 I127 F131 S132E125-Q129 WeakPolarHBondContact O-CB 3.44Å; E125-Q129 PolarHBondContact O-N 3.34Å; E126-Q129 PolarHBondContact O-N 3.32Å; I127-Q129 VanDerWaalsContact C-N 3.31Å; I127-Q129 PolarHBondContact O-N 3.29Å; Q129-F131 VanDerWaalsContact C-N 3.3Å; Q129-F131 PolarHBondContact O-N 2.96Å; Q129-S132 WeakPolarHBondContact O-CB 3.33Å; Q129-S132 PolarHBondContact O-N 2.79Å; Q129-S132 PolarHBondContact O-OG 3.33Å
130F82.5Confident77Confident20 Ų2072.4 Ų72.49%0.08841%0.408CS..Hα-helixtrans-59.9-42174.2178.4-101.1000111.7E126 I127 S132 K171 E174 I176 I181 V183E126-F130 WeakPolarHBondContact O-CB 3.2Å; E126-F130 PolarHBondContact O-N 3Å; I127-F130 PolarHBondContact O-N 3.45Å; F130-S132 VanDerWaalsContact C-N 3.26Å; F130-S132 PolarHBondContact O-N 3.15Å; F130-K171 HydrophobicContact CZ-CB 4.47Å; F130-K171 PolarHBondContact O-NZ 2.85Å; F130-E174 HydrophobicContact CE2-CB 3.37Å; F130-E174 HydrophobicContact CZ-CB 3.62Å; F130-I176 HydrophobicContact CB-CD1 3.7Å; F130-I176 HydrophobicContact CB-CG1 4.15Å; F130-I176 HydrophobicContact CD1-CD1 4.21Å; F130-I176 HydrophobicContact CD2-CD1 3.59Å; F130-I176 HydrophobicContact CD2-CG1 3.3Å; F130-I176 HydrophobicContact CE2-CD1 4.16Å; F130-I176 HydrophobicContact CE2-CG1 3.76Å; F130-I176 HydrophobicContact CG-CD1 3.58Å; F130-I176 HydrophobicContact CG-CG1 3.86Å; F130-I181 HydrophobicContact CE2-CG1 4.43Å; F130-I181 HydrophobicContact CZ-CB 4.15Å; F130-I181 HydrophobicContact CZ-CG1 4.49Å; F130-I181 HydrophobicContact CZ-CG2 4.49Å; F130-V183 HydrophobicContact CE1-CG2 4.38Å
131F81.3Confident77.2Confident0 Ų066.6 Ų66.60%038%0.383CS..THydrogen-bonded Turntrans-89.822.5173.3-68.4-58.4000114.1L115 I127 I128 Q129 G133 L134 I136 V157 F159 A168 K171 V183L115-F131 HydrophobicContact CD1-CE2 3.7Å; L115-F131 HydrophobicContact CD1-CZ 4.37Å; L115-F131 HydrophobicContact CD2-CE2 3.67Å; L115-F131 HydrophobicContact CD2-CZ 3.49Å; L115-F131 VanDerWaalsContact CD2-CZ 3.49Å; L115-F131 HydrophobicContact CG-CE2 4.26Å; I127-F131 HydrophobicContact CG2-CD2 3.98Å; I127-F131 HydrophobicContact CG2-CE2 4.18Å; I127-F131 WeakPolarHBondContact O-CD2 3.39Å; I127-F131 PolarHBondContact O-N 2.86Å; I128-F131 CarbonylContact O-C 3.44Å; I128-F131 VanDerWaalsContact O-C 3.28Å; I128-F131 PolarHBondContact O-N 2.93Å; Q129-F131 VanDerWaalsContact C-N 3.3Å; Q129-F131 PolarHBondContact O-N 2.96Å; F131-G133 PolarHBondContact O-N 2.9Å; F131-L134 HydrophobicContact CB-CD1 4.46Å; F131-L134 HydrophobicContact CD1-CD1 3.78Å; F131-L134 WeakPolarHBondContact O-CB 3.45Å; F131-L134 PolarHBondContact O-N 3.22Å; F131-I136 HydrophobicContact CB-CD1 3.65Å; F131-I136 HydrophobicContact CD2-CD1 4.17Å; F131-I136 HydrophobicContact CG-CD1 4.28Å; F131-V157 HydrophobicContact CE2-CG2 4.34Å; F131-F159 HydrophobicContact CB-CE1 4.31Å; F131-F159 HydrophobicContact CB-CZ 4.46Å; F131-F159 HydrophobicContact CD1-CE1 4.33Å; F131-F159 AromaticContact CD1-CZ 3.85Å; F131-F159 HydrophobicContact CD1-CZ 3.85Å; F131-F159 HydrophobicContact CD2-CZ 4.05Å; F131-F159 HydrophobicContact CE1-CZ 4.04Å; F131-F159 HydrophobicContact CE2-CZ 4.21Å; F131-F159 HydrophobicContact CG-CE1 4.18Å; F131-F159 AromaticContact CG-CZ 3.85Å; F131-F159 HydrophobicContact CG-CZ 3.85Å; F131-F159 HydrophobicContact CZ-CZ 4.21Å; F131-A168 HydrophobicContact CD1-CB 4.11Å; F131-A168 HydrophobicContact CE1-CB 3.6Å; F131-A168 HydrophobicContact CZ-CB 4.32Å; F131-K171 HydrophobicContact CD1-CD 4.32Å; F131-V183 HydrophobicContact CZ-CG2 4.47Å
132S75.4Confident77.4Confident81 Ų8166.1 Ų66.157%0.56637%0.369SS*.THydrogen-bonded Turntrans-52.5129.2173.854.10000110.8I128 Q129 F130 K171I128-S132 PolarHBondContact O-N 3.07Å; Q129-S132 WeakPolarHBondContact O-CB 3.33Å; Q129-S132 PolarHBondContact O-N 2.79Å; Q129-S132 PolarHBondContact O-OG 3.33Å; F130-S132 VanDerWaalsContact C-N 3.26Å; F130-S132 PolarHBondContact O-N 3.15Å; S132-K171 PolarHBondContact O-NZ 2.89Å
133G72.1Confident77.6Confident82 Ų8268.2 Ų68.285%0.84538%0.379SS*.THydrogen-bonded Turntrans92.9-3.5-173.400000115.5F131F131-G133 PolarHBondContact O-N 2.9Å
134L78.9Confident77.2Confident26 Ų2666.5 Ų66.514%0.13637%0.369CS..SBendtrans-112.5131.4169.8-56.8176.1000109.5F131 I136 F159 L164 K167 A168F131-L134 HydrophobicContact CB-CD1 4.46Å; F131-L134 HydrophobicContact CD1-CD1 3.78Å; F131-L134 WeakPolarHBondContact O-CB 3.45Å; F131-L134 PolarHBondContact O-N 3.22Å; L134-I136 PolarHBondContact O-N 3.25Å; L134-F159 HydrophobicContact CB-CD1 4.03Å; L134-F159 HydrophobicContact CB-CE1 3.68Å; L134-F159 HydrophobicContact CD1-CE1 3.79Å; L134-F159 HydrophobicContact CD1-CZ 4.21Å; L134-F159 HydrophobicContact CG-CE1 4.39Å; L134-L164 HydrophobicContact CD2-CB 4.27Å; L134-L164 HydrophobicContact CD2-CD2 3.72Å; L134-K167 HydrophobicContact CD2-CB 3.77Å; L134-K167 HydrophobicContact CD2-CD 4.11Å; L134-A168 HydrophobicContact CD1-CB 3.81Å
135E72.8Confident77.1Confident142 Ų14264.9 Ų64.966%0.66437%0.369SS*.  trans-77108177.6-166.4174.4-176.300110.2A160 L164E135-A160 HydrophobicContact CB-CB 4.27Å; E135-A160 HydrophobicContact CG-CB 4.09Å; E135-A160 PolarHBondContact O-N 2.82Å; E135-L164 HydrophobicContact CB-CD1 3.82Å; E135-L164 WeakPolarHBondContact O-CD1 3.46Å
136I78.8Confident76.6Confident27 Ų2763 Ų6314%0.13836%0.363CS..EExtended strand (participates in β ladder)trans-94.3138.8175.7-62.4167.9000108.1F131 L134 I141 V157 Q158 F159F131-I136 HydrophobicContact CB-CD1 3.65Å; F131-I136 HydrophobicContact CD2-CD1 4.17Å; F131-I136 HydrophobicContact CG-CD1 4.28Å; L134-I136 PolarHBondContact O-N 3.25Å; I136-I141 HydrophobicContact CG2-CD1 4.32Å; I136-I141 HydrophobicContact CG2-CG1 4.02Å; I136-V157 HydrophobicContact CD1-CG1 3.93Å; I136-V157 HydrophobicContact CG1-CG1 3.97Å; I136-V157 HydrophobicContact CG2-CG1 3.73Å; I136-Q158 WeakPolarHBondContact CG2-O 3.44Å; I136-F159 HydrophobicContact CD1-CE1 4.17Å; I136-F159 HydrophobicContact CG1-CD1 3.81Å; I136-F159 HydrophobicContact CG1-CE1 3.55Å; I136-F159 HydrophobicContact CG1-CZ 4.35Å
137V74Confident75.7Confident45 Ų4565.4 Ų65.427%0.27339%0.385SS..EExtended strand (participates in β ladder)trans-61.4130.7176.2179.20000109.2N139 G140 Q158 A160V137-N139 PolarHBondContact O-N 3.21Å; V137-G140 WeakPolarHBondContact O-CA 3.46Å; V137-G140 PolarHBondContact O-N 3.17Å; V137-Q158 HydrophobicContact CB-CB 4.48Å; V137-Q158 HydrophobicContact CB-CG 4.41Å; V137-Q158 HydrophobicContact CG2-CG 4Å; V137-Q158 PolarHBondContact N-O 3.27Å; V137-A160 HydrophobicContact CG2-CB 4.31Å
138P56.6Low75.2Confident112 Ų11272.4 Ų72.473%0.72742%0.418SS*.EExtended strand (participates in β ladder)trans-60.3124.4173.823.2-31.2000109.4G140P138-G140 VanDerWaalsContact C-N 3.32Å
139N63.2Low74.4Confident165 Ų16571 Ų7188%0.88243%0.425SS*.EExtended strand (participates in β ladder)trans7211.2-169-51.9-38.1000116.3V137 I141V137-N139 PolarHBondContact O-N 3.21Å; N139-I141 PolarHBondContact O-N 2.77Å
140G69.6Low73.9Confident4 Ų471.1 Ų71.14%0.04142%0.423CS..EExtended strand (participates in β ladder)trans-78.95.5174.500000115V137 P138 V157 Q158V137-G140 WeakPolarHBondContact O-CA 3.46Å; V137-G140 PolarHBondContact O-N 3.17Å; P138-G140 VanDerWaalsContact C-N 3.32Å; G140-V157 CarbonylContact O-C 3.58Å; G140-V157 WeakPolarHBondContact O-CA 3.42Å; G140-Q158 WeakPolarHBondContact O-CB 3.45Å; G140-Q158 PolarHBondContact O-N 2.99Å
141I81.3Confident73.6Confident33 Ų3371.8 Ų71.817%0.16943%0.427CS..EExtended strand (participates in β ladder)trans-103.1115.5-180-56.9174.4000108.9K124 I127 I128 I136 N139 L143 F156 V157K124-I141 HydrophobicContact CB-CD1 4.49Å; I127-I141 HydrophobicContact CB-CD1 4.47Å; I127-I141 HydrophobicContact CD1-CG2 4.15Å; I127-I141 HydrophobicContact CG2-CD1 4.19Å; I128-I141 HydrophobicContact CD1-CD1 4.14Å; I128-I141 HydrophobicContact CG1-CD1 3.66Å; I136-I141 HydrophobicContact CG2-CD1 4.32Å; I136-I141 HydrophobicContact CG2-CG1 4.02Å; N139-I141 PolarHBondContact O-N 2.77Å; I141-L143 HydrophobicContact CG2-CD1 4.41Å; I141-L143 HydrophobicContact CG2-CG 4.37Å; I141-F156 CarbonylContact C-O 3.49Å; I141-F156 WeakPolarHBondContact CA-O 3.44Å; I141-V157 HydrophobicContact CG1-CG1 4.3Å; I141-V157 HydrophobicContact CG1-CG2 4.33Å; I141-V157 HydrophobicContact CG2-CG2 4.48Å
142T80.6Confident73.2Confident50 Ų5074 Ų7431%0.30744%0.441SS..EExtended strand (participates in β ladder)trans-110.3118.1175.4-52.30000109.5P144 A155 F156 V191T142-P144 WeakPolarHBondContact O-CD 3.48Å; T142-A155 CarbonylContact O-C 3.55Å; T142-A155 WeakPolarHBondContact O-CA 3.43Å; T142-F156 PolarHBondContact N-O 3.33Å; T142-F156 PolarHBondContact O-N 3Å; T142-V191 HydrophobicContact CG2-CG1 3.91Å
143L83.2Confident73.3Confident52 Ų5270.4 Ų70.427%0.27242%0.416SS..  trans-106.198.2175.6-76.5152.8000107.9L118 I127 I141 V145 A155L118-L143 HydrophobicContact CD1-CD2 4.39Å; I127-L143 HydrophobicContact CD1-CD1 4.42Å; I127-L143 HydrophobicContact CD1-CD2 3.96Å; I127-L143 HydrophobicContact CD1-CG 4.45Å; I141-L143 HydrophobicContact CG2-CD1 4.41Å; I141-L143 HydrophobicContact CG2-CG 4.37Å; L143-V145 PolarHBondContact O-N 3.19Å; L143-A155 HydrophobicContact CD2-CB 3.56Å; L143-A155 HydrophobicContact CG-CB 4.21Å
144P74.4Confident73.9Confident20 Ų2068 Ų6813%0.1338%0.383CS..  trans-58.4128.4171.424.9-34.3000109.5T142 T152 E154 F156T142-P144 WeakPolarHBondContact O-CD 3.48Å; P144-T152 PolarHBondContact O-OG1 2.8Å; P144-E154 WeakPolarHBondContact CD-O 3.37Å; P144-E154 HydrophobicContact CG-CB 4.29Å; P144-F156 HydrophobicContact CG-CD2 4.36Å; P144-F156 HydrophobicContact CG-CE2 3.99Å
145V78.9Confident74.2Confident89 Ų8966.8 Ų66.854%0.53938%0.376SS..BIsolated β-bridgetrans-109.3138.9172.4-67.40000108.3L143 K150 I151L143-V145 PolarHBondContact O-N 3.19Å; V145-K150 CarbonylContact C-O 3.5Å; V145-K150 WeakPolarHBondContact CA-O 3.46Å; V145-I151 HydrophobicContact CG1-CG2 3.85Å
146D72.7Confident74.9Confident70 Ų7060.1 Ų60.137%0.37435%0.345SS..  trans-60.6160170.8-81.6-33.6000110.6E148 G149 K150 T152D146-E148 PolarHBondContact O-N 2.57Å; D146-G149 WeakPolarHBondContact O-CA 3.45Å; D146-G149 PolarHBondContact O-N 3.23Å; D146-K150 PolarHBondContact N-O 3.49Å; D146-T152 HydrophobicContact CB-CG2 4.43Å; D146-T152 VanDerWaalsContact CG-CG2 3.41Å; D146-T152 WeakPolarHBondContact OD1-CG2 3.17Å; D146-T152 WeakPolarHBondContact OD2-CG2 3.49Å
147P65.3Low75.2Confident124 Ų12458.8 Ų58.881%0.80534%0.338SS*.THydrogen-bonded Turntrans-53.3-25.8174-25.134.5000113.9G149P147-G149 VanDerWaalsContact C-N 3.26Å; P147-G149 PolarHBondContact O-N 3.13Å
148E72.6Confident75.7Confident147 Ų14759.4 Ų59.469%0.68734%0.338SS*.THydrogen-bonded Turntrans-82.44.2174.8-64.571.1-153.400113.8D146 K150D146-E148 PolarHBondContact O-N 2.57Å; E148-K150 VanDerWaalsContact C-N 3.32Å; E148-K150 PolarHBondContact O-N 3.28Å
149G66.8Low77Confident58 Ų5854.4 Ų54.460%0.59831%0.305SS*.SBendtrans75.714.3178.900000114.6D146 P147D146-G149 WeakPolarHBondContact O-CA 3.45Å; D146-G149 PolarHBondContact O-N 3.23Å; P147-G149 VanDerWaalsContact C-N 3.26Å; P147-G149 PolarHBondContact O-N 3.13Å
150K71.8Confident77.7Confident147 Ų14749.3 Ų49.364%0.63929%0.286SS*.  trans-89.9139.6176.6-66.5-176.3-177.4176.20110.2V145 D146 E148 T152V145-K150 CarbonylContact C-O 3.5Å; V145-K150 WeakPolarHBondContact CA-O 3.46Å; D146-K150 PolarHBondContact N-O 3.49Å; E148-K150 VanDerWaalsContact C-N 3.32Å; E148-K150 PolarHBondContact O-N 3.28Å; K150-T152 PolarHBondContact O-N 2.81Å
151I75.8Confident78Confident33 Ų3351.5 Ų51.517%0.16930%0.301CS..BIsolated β-bridgetrans-73.1128.7171.149.9156.8000109.9P119 F120 V145 G153P119-I151 VanDerWaalsContact O-CD1 3.3Å; P119-I151 WeakPolarHBondContact O-CD1 3.3Å; F120-I151 VanDerWaalsContact C-CD1 3.44Å; F120-I151 WeakPolarHBondContact CD1-O 3.33Å; F120-I151 VanDerWaalsContact O-CD1 3.31Å; F120-I151 WeakPolarHBondContact O-CD1 3.45Å; F120-I151 WeakPolarHBondContact O-CG1 3.29Å; V145-I151 HydrophobicContact CG1-CG2 3.85Å; I151-G153 PolarHBondContact O-N 2.9Å; I151-G153 VanDerWaalsContact O-N 3.13Å
152T73.3Confident77.9Confident48 Ų4853 Ų5329%0.29431%0.307SS..  trans-72.1-3.8-177.153.20000113.1P144 D146 K150P144-T152 PolarHBondContact O-OG1 2.8Å; D146-T152 HydrophobicContact CB-CG2 4.43Å; D146-T152 VanDerWaalsContact CG-CG2 3.41Å; D146-T152 WeakPolarHBondContact OD1-CG2 3.17Å; D146-T152 WeakPolarHBondContact OD2-CG2 3.49Å; K150-T152 PolarHBondContact O-N 2.81Å
153G77.8Confident77.7Confident4 Ų456.8 Ų56.84%0.04132%0.321CS..SBendtrans74.615.6-172.600000112.8G117 L118 I151G117-G153 PolarHBondContact N-O 3.15Å; L118-G153 PolarHBondContact N-O 3Å; L118-G153 WeakPolarHBondContact O-CA 3.41Å; I151-G153 PolarHBondContact O-N 2.9Å; I151-G153 VanDerWaalsContact O-N 3.13Å
154E84.2Confident77.5Confident33 Ų3355.6 Ų55.615%0.15432%0.315CS..EExtended strand (participates in β ladder)trans-112.9143.7172.5-56.4-171.5148.100109.5R114 L115 R116 P144R114-E154 IonicContact NH1-OE1 2.84Å; L115-E154 CarbonylContact O-C 3.55Å; L115-E154 VanDerWaalsContact O-CA 3.25Å; L115-E154 WeakPolarHBondContact O-CA 3.34Å; R116-E154 HydrophobicContact CG-CG 4.4Å; R116-E154 IonicContact NE-OE1 3.89Å; P144-E154 WeakPolarHBondContact CD-O 3.37Å; P144-E154 HydrophobicContact CG-CB 4.29Å
155A85.5Confident77.8Confident0 Ų055 Ų550%031%0.312CS..EExtended strand (participates in β ladder)trans-145154.6172.200000110.4R114 L115 L118 I127 T142 L143R114-A155 CarbonylContact C-O 3.52Å; R114-A155 WeakPolarHBondContact CA-O 3.38Å; L115-A155 HydrophobicContact CB-CB 4.32Å; L115-A155 HydrophobicContact CD1-CB 4.3Å; L115-A155 PolarHBondContact N-O 3.14Å; L115-A155 PolarHBondContact O-N 2.67Å; L118-A155 HydrophobicContact CD1-CB 3.29Å; I127-A155 HydrophobicContact CD1-CB 4.02Å; T142-A155 CarbonylContact O-C 3.55Å; T142-A155 WeakPolarHBondContact O-CA 3.43Å; L143-A155 HydrophobicContact CD2-CB 3.56Å; L143-A155 HydrophobicContact CG-CB 4.21Å
156F86.8Confident78Confident1 Ų156 Ų560%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-115.7134.8172.7-57.9-88.7000108.6V113 R114 I141 T142 P144 E190 V191 Y194V113-F156 WeakPolarHBondContact O-CA 3.37Å; R114-F156 HydrophobicContact CB-CD1 3.92Å; R114-F156 HydrophobicContact CB-CE1 3.93Å; R114-F156 HydrophobicContact CG-CD1 3.96Å; R114-F156 HydrophobicContact CG-CE1 3.63Å; R114-F156 HydrophobicContact CG-CZ 4.22Å; I141-F156 CarbonylContact C-O 3.49Å; I141-F156 WeakPolarHBondContact CA-O 3.44Å; T142-F156 PolarHBondContact N-O 3.33Å; T142-F156 PolarHBondContact O-N 3Å; P144-F156 HydrophobicContact CG-CD2 4.36Å; P144-F156 HydrophobicContact CG-CE2 3.99Å; F156-E190 HydrophobicContact CE1-CB 4.49Å; F156-E190 HydrophobicContact CE1-CG 4.15Å; F156-E190 HydrophobicContact CZ-CG 4.49Å; F156-V191 HydrophobicContact CB-CB 4.46Å; F156-V191 HydrophobicContact CB-CG1 4.06Å; F156-V191 HydrophobicContact CB-CG2 3.65Å; F156-V191 HydrophobicContact CD1-CG2 3.65Å; F156-V191 HydrophobicContact CD2-CG1 4.27Å; F156-V191 HydrophobicContact CD2-CG2 4.44Å; F156-V191 HydrophobicContact CE1-CG2 4.35Å; F156-V191 HydrophobicContact CG-CB 4.33Å; F156-V191 HydrophobicContact CG-CG1 4.18Å; F156-V191 HydrophobicContact CG-CG2 3.67Å; F156-Y194 HydrophobicContact CE2-CD2 4.27Å; F156-Y194 HydrophobicContact CE2-CG 4.27Å; F156-Y194 AromaticContact CZ-CD2 3.82Å; F156-Y194 HydrophobicContact CZ-CD2 3.82Å; F156-Y194 HydrophobicContact CZ-CE2 4.1Å; F156-Y194 HydrophobicContact CZ-CG 4.27Å
157V86.1Confident78.4Confident0 Ų058.6 Ų58.60%032%0.319CS..EExtended strand (participates in β ladder)trans-126.7126.2-179.2-177.30000108.9V113 L115 I127 F131 I136 G140 I141 F159V113-V157 PolarHBondContact N-O 3.26Å; V113-V157 PolarHBondContact O-N 3.39Å; L115-V157 HydrophobicContact CD1-CG2 3.79Å; L115-V157 HydrophobicContact CG-CG2 4.23Å; I127-V157 HydrophobicContact CG2-CG2 3.73Å; F131-V157 HydrophobicContact CE2-CG2 4.34Å; I136-V157 HydrophobicContact CD1-CG1 3.93Å; I136-V157 HydrophobicContact CG1-CG1 3.97Å; I136-V157 HydrophobicContact CG2-CG1 3.73Å; G140-V157 CarbonylContact O-C 3.58Å; G140-V157 WeakPolarHBondContact O-CA 3.42Å; I141-V157 HydrophobicContact CG1-CG1 4.3Å; I141-V157 HydrophobicContact CG1-CG2 4.33Å; I141-V157 HydrophobicContact CG2-CG2 4.48Å; V157-F159 HydrophobicContact CB-CE2 4.25Å; V157-F159 HydrophobicContact CG1-CD2 4.37Å; V157-F159 HydrophobicContact CG1-CE1 4.37Å; V157-F159 HydrophobicContact CG1-CE2 3.89Å; V157-F159 HydrophobicContact CG1-CZ 3.89Å
158Q83.9Confident79.2Confident58 Ų5852.7 Ų52.727%0.27128%0.28SS..EExtended strand (participates in β ladder)trans-94.5118.5172-169.8175.720.600110.2F112 I136 V137 G140F112-Q158 HydrophobicContact CD1-CB 4.09Å; F112-Q158 HydrophobicContact CD1-CG 4.46Å; F112-Q158 HydrophobicContact CD2-CG 4.26Å; F112-Q158 HydrophobicContact CE1-CB 3.5Å; F112-Q158 VanDerWaalsContact CE1-CB 3.5Å; F112-Q158 HydrophobicContact CE1-CG 3.84Å; F112-Q158 HydrophobicContact CE2-CB 4.22Å; F112-Q158 HydrophobicContact CE2-CG 3.6Å; F112-Q158 HydrophobicContact CZ-CB 3.56Å; F112-Q158 HydrophobicContact CZ-CG 3.34Å; I136-Q158 WeakPolarHBondContact CG2-O 3.44Å; V137-Q158 HydrophobicContact CB-CB 4.48Å; V137-Q158 HydrophobicContact CB-CG 4.41Å; V137-Q158 HydrophobicContact CG2-CG 4Å; V137-Q158 PolarHBondContact N-O 3.27Å; G140-Q158 WeakPolarHBondContact O-CB 3.45Å; G140-Q158 PolarHBondContact O-N 2.99Å
159F83.4Confident79.7Confident6 Ų648.7 Ų48.73%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-88152171.9-68.8-81.9000111.4G111 V113 F131 L134 I136 V157 S161 L164 A165 A168G111-F159 WeakPolarHBondContact O-CD2 3.42Å; G111-F159 PolarHBondContact O-N 2.81Å; V113-F159 HydrophobicContact CB-CD2 4.32Å; V113-F159 HydrophobicContact CB-CE2 3.82Å; V113-F159 HydrophobicContact CG1-CE2 4.49Å; V113-F159 HydrophobicContact CG2-CD2 3.8Å; V113-F159 HydrophobicContact CG2-CE2 3.58Å; F131-F159 HydrophobicContact CB-CE1 4.31Å; F131-F159 HydrophobicContact CB-CZ 4.46Å; F131-F159 HydrophobicContact CD1-CE1 4.33Å; F131-F159 AromaticContact CD1-CZ 3.85Å; F131-F159 HydrophobicContact CD1-CZ 3.85Å; F131-F159 HydrophobicContact CD2-CZ 4.05Å; F131-F159 HydrophobicContact CE1-CZ 4.04Å; F131-F159 HydrophobicContact CE2-CZ 4.21Å; F131-F159 HydrophobicContact CG-CE1 4.18Å; F131-F159 AromaticContact CG-CZ 3.85Å; F131-F159 HydrophobicContact CG-CZ 3.85Å; F131-F159 HydrophobicContact CZ-CZ 4.21Å; L134-F159 HydrophobicContact CB-CD1 4.03Å; L134-F159 HydrophobicContact CB-CE1 3.68Å; L134-F159 HydrophobicContact CD1-CE1 3.79Å; L134-F159 HydrophobicContact CD1-CZ 4.21Å; L134-F159 HydrophobicContact CG-CE1 4.39Å; I136-F159 HydrophobicContact CD1-CE1 4.17Å; I136-F159 HydrophobicContact CG1-CD1 3.81Å; I136-F159 HydrophobicContact CG1-CE1 3.55Å; I136-F159 HydrophobicContact CG1-CZ 4.35Å; V157-F159 HydrophobicContact CB-CE2 4.25Å; V157-F159 HydrophobicContact CG1-CD2 4.37Å; V157-F159 HydrophobicContact CG1-CE1 4.37Å; V157-F159 HydrophobicContact CG1-CE2 3.89Å; V157-F159 HydrophobicContact CG1-CZ 3.89Å; F159-S161 PolarHBondContact O-N 3.11Å; F159-L164 HydrophobicContact CB-CB 4.03Å; F159-L164 HydrophobicContact CD1-CB 4.05Å; F159-L164 HydrophobicContact CG-CB 4.24Å; F159-A165 HydrophobicContact CB-CB 4.45Å; F159-A165 HydrophobicContact CD2-CB 3.97Å; F159-A165 HydrophobicContact CG-CB 4.47Å; F159-A168 HydrophobicContact CD2-CB 4.46Å; F159-A168 HydrophobicContact CE1-CB 4.31Å; F159-A168 HydrophobicContact CE2-CB 3.62Å; F159-A168 HydrophobicContact CZ-CB 3.52Å
160A77.6Confident80.3Confident58 Ų5849.1 Ų49.148%0.47927%0.268SS..SBendtrans-67.5-20.1178.400000113.1E135 V137 L164E135-A160 HydrophobicContact CB-CB 4.27Å; E135-A160 HydrophobicContact CG-CB 4.09Å; E135-A160 PolarHBondContact O-N 2.82Å; V137-A160 HydrophobicContact CG2-CB 4.31Å; A160-L164 HydrophobicContact CB-CD1 4.47Å
161S76.8Confident80.5Confident51 Ų5144.2 Ų44.236%0.35725%0.247SC..SBendtrans-145.5146.3178.2174.30000110.5F159 E163 L164 A165F159-S161 PolarHBondContact O-N 3.11Å; S161-E163 VanDerWaalsContact C-N 3.25Å; S161-E163 PolarHBondContact O-N 3.16Å; S161-E163 PolarHBondContact OG-N 3.46Å; S161-L164 WeakPolarHBondContact O-CB 3.35Å; S161-L164 PolarHBondContact O-N 3.02Å; S161-L164 VanDerWaalsContact O-N 3.1Å; S161-A165 PolarHBondContact O-N 3.17Å
162Q78.1Confident80.8Confident64 Ų6445.8 Ų45.830%0.29925%0.253SS..Hα-helixtrans-57-37.6174-179.5-168.2-21.100112.4N109 L164 A165 E166N109-Q162 HydrophobicContact CB-CG 4.05Å; N109-Q162 VanDerWaalsContact CG-CD 3.48Å; N109-Q162 PolarHBondContact ND2-NE2 3.3Å; N109-Q162 WeakPolarHBondContact O-CG 3.13Å; N109-Q162 PolarHBondContact OD1-NE2 3.17Å; Q162-L164 PolarHBondContact O-N 2.84Å; Q162-A165 WeakPolarHBondContact O-CA 3.46Å; Q162-A165 WeakPolarHBondContact O-CB 3.32Å; Q162-A165 PolarHBondContact O-N 2.94Å; Q162-E166 PolarHBondContact NE2-OE1 3.38Å; Q162-E166 PolarHBondContact O-N 3.47Å
163E77.3Confident81.2Confident129 Ų12950 Ų5060%0.60327%0.268SS*.Hα-helixtrans-60.9-30.5178.5-63.3-174.5175.200112.2S161 K167S161-E163 VanDerWaalsContact C-N 3.25Å; S161-E163 PolarHBondContact O-N 3.16Å; S161-E163 PolarHBondContact OG-N 3.46Å; E163-K167 WeakPolarHBondContact O-CG 3.25Å; E163-K167 PolarHBondContact O-N 3.39Å; E163-K167 VanDerWaalsContact O-N 3.15Å
164L79.5Confident81.4Confident27 Ų2753.9 Ų53.914%0.14128%0.284CS..Hα-helixtrans-75.1-35.1176-60173.1000111.1L134 E135 F159 A160 S161 Q162 E166 K167 A168L134-L164 HydrophobicContact CD2-CB 4.27Å; L134-L164 HydrophobicContact CD2-CD2 3.72Å; E135-L164 HydrophobicContact CB-CD1 3.82Å; E135-L164 WeakPolarHBondContact O-CD1 3.46Å; F159-L164 HydrophobicContact CB-CB 4.03Å; F159-L164 HydrophobicContact CD1-CB 4.05Å; F159-L164 HydrophobicContact CG-CB 4.24Å; A160-L164 HydrophobicContact CB-CD1 4.47Å; S161-L164 WeakPolarHBondContact O-CB 3.35Å; S161-L164 PolarHBondContact O-N 3.02Å; S161-L164 VanDerWaalsContact O-N 3.1Å; Q162-L164 PolarHBondContact O-N 2.84Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-K167 HydrophobicContact CD2-CD 4.49Å; L164-K167 PolarHBondContact O-N 2.82Å; L164-A168 WeakPolarHBondContact O-CB 3.15Å; L164-A168 PolarHBondContact O-N 2.79Å
165A80.5Confident81.2Confident8 Ų861.5 Ų61.57%0.06631%0.312CS..Hα-helixtrans-64.2-39.1172.700000111.7V113 F159 S161 Q162 A168 L169V113-A165 HydrophobicContact CG2-CB 3.75Å; F159-A165 HydrophobicContact CB-CB 4.45Å; F159-A165 HydrophobicContact CD2-CB 3.97Å; F159-A165 HydrophobicContact CG-CB 4.47Å; S161-A165 PolarHBondContact O-N 3.17Å; Q162-A165 WeakPolarHBondContact O-CA 3.46Å; Q162-A165 WeakPolarHBondContact O-CB 3.32Å; Q162-A165 PolarHBondContact O-N 2.94Å; A165-A168 WeakPolarHBondContact O-CB 3.46Å; A165-A168 PolarHBondContact O-N 3.04Å; A165-A168 VanDerWaalsContact O-N 3.15Å; A165-L169 WeakPolarHBondContact O-CG 3.26Å; A165-L169 PolarHBondContact O-N 3.46Å
166E81.8Confident81Confident111 Ų11162.3 Ų62.352%0.51932%0.316SS..Hα-helixtrans-64.5-40.5174.1-69.2178.2-173.100112.1Q162 L164 A168 L169 G170Q162-E166 PolarHBondContact NE2-OE1 3.38Å; Q162-E166 PolarHBondContact O-N 3.47Å; L164-E166 VanDerWaalsContact C-N 3.34Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 3.02Å; E166-L169 WeakPolarHBondContact O-CB 3.22Å; E166-L169 PolarHBondContact O-N 3.41Å; E166-G170 PolarHBondContact O-N 3.4Å
167K81.8Confident80.7Confident124 Ų12465.8 Ų65.854%0.53935%0.352SS..Hα-helixtrans-64-34.9171.5-71.8171.7-176.7169.50112.2L134 E163 L164 G170L134-K167 HydrophobicContact CD2-CB 3.77Å; L134-K167 HydrophobicContact CD2-CD 4.11Å; E163-K167 WeakPolarHBondContact O-CG 3.25Å; E163-K167 PolarHBondContact O-N 3.39Å; E163-K167 VanDerWaalsContact O-N 3.15Å; L164-K167 HydrophobicContact CD2-CD 4.49Å; L164-K167 PolarHBondContact O-N 2.82Å; K167-G170 PolarHBondContact O-N 3.48Å
168A81.4Confident80.3Confident0 Ų073.4 Ų73.40%039%0.387CS..Hα-helixtrans-65.7-37.5175.500000112.1V113 F131 L134 F159 L164 A165 E166 G170 K171V113-A168 HydrophobicContact CG2-CB 4.33Å; F131-A168 HydrophobicContact CD1-CB 4.11Å; F131-A168 HydrophobicContact CE1-CB 3.6Å; F131-A168 HydrophobicContact CZ-CB 4.32Å; L134-A168 HydrophobicContact CD1-CB 3.81Å; F159-A168 HydrophobicContact CD2-CB 4.46Å; F159-A168 HydrophobicContact CE1-CB 4.31Å; F159-A168 HydrophobicContact CE2-CB 3.62Å; F159-A168 HydrophobicContact CZ-CB 3.52Å; L164-A168 WeakPolarHBondContact O-CB 3.15Å; L164-A168 PolarHBondContact O-N 2.79Å; A165-A168 WeakPolarHBondContact O-CB 3.46Å; A165-A168 PolarHBondContact O-N 3.04Å; A165-A168 VanDerWaalsContact O-N 3.15Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 3.02Å; A168-G170 PolarHBondContact O-N 3.27Å; A168-K171 WeakPolarHBondContact O-CB 3.16Å; A168-K171 PolarHBondContact O-N 3.27Å
169L82.8Confident80.2Confident62 Ų6273.1 Ų73.133%0.32538%0.383SS..Hα-helixtrans-61.4-31172.7-65.3170.3000112.1A165 E166 K171 H172 V183 K185A165-L169 WeakPolarHBondContact O-CG 3.26Å; A165-L169 PolarHBondContact O-N 3.46Å; E166-L169 WeakPolarHBondContact O-CB 3.22Å; E166-L169 PolarHBondContact O-N 3.41Å; L169-K171 PolarHBondContact O-N 3.05Å; L169-H172 WeakPolarHBondContact O-CB 3.4Å; L169-H172 PolarHBondContact O-N 2.85Å; L169-H172 VanDerWaalsContact O-N 3.13Å; L169-V183 HydrophobicContact CD2-CG1 4.22Å; L169-K185 HydrophobicContact CD1-CB 4.3Å; L169-K185 HydrophobicContact CD2-CB 4.28Å
170G79.9Confident80.4Confident68 Ų6879.8 Ų79.870%0.70141%0.409SS*.Hα-helixtrans-62-24.117300000114.1E166 K167 A168 H172E166-G170 PolarHBondContact O-N 3.4Å; K167-G170 PolarHBondContact O-N 3.48Å; A168-G170 PolarHBondContact O-N 3.27Å; G170-H172 VanDerWaalsContact C-N 3.27Å; G170-H172 PolarHBondContact O-N 2.9Å
171K77.5Confident80.9Confident44 Ų4477 Ų7719%0.19139%0.387CS..THydrogen-bonded Turntrans-87.112.6175.9-63.5-170.5164.8-177.60113.6F130 F131 S132 A168 L169 K173 E174F130-K171 HydrophobicContact CZ-CB 4.47Å; F130-K171 PolarHBondContact O-NZ 2.85Å; F131-K171 HydrophobicContact CD1-CD 4.32Å; S132-K171 PolarHBondContact O-NZ 2.89Å; A168-K171 WeakPolarHBondContact O-CB 3.16Å; A168-K171 PolarHBondContact O-N 3.27Å; L169-K171 PolarHBondContact O-N 3.05Å; K171-K173 PolarHBondContact O-N 3.06Å; K171-E174 HydrophobicContact CB-CG 4.22Å; K171-E174 WeakPolarHBondContact CG-OE1 3.49Å; K171-E174 WeakPolarHBondContact O-CB 3.35Å; K171-E174 WeakPolarHBondContact O-CG 3.17Å; K171-E174 PolarHBondContact O-N 2.82Å; K171-E174 VanDerWaalsContact O-N 3.16Å
172H82.1Confident81.3Confident65 Ų6576.9 Ų76.930%0.30138%0.38SS..THydrogen-bonded Turntrans-59.1130.3177.1-179.788.6000111.2L169 G170 V183L169-H172 WeakPolarHBondContact O-CB 3.4Å; L169-H172 PolarHBondContact O-N 2.85Å; L169-H172 VanDerWaalsContact O-N 3.13Å; G170-H172 VanDerWaalsContact C-N 3.27Å; G170-H172 PolarHBondContact O-N 2.9Å; H172-V183 HydrophobicContact CB-CB 4.26Å; H172-V183 PolarHBondContact ND1-N 2.85Å; H172-V183 PolarHBondContact ND1-O 3.38Å
173K81.5Confident81.7Confident138 Ų13874 Ų7460%0.637%0.367SS*.THydrogen-bonded Turntrans7511.6-174.3-60.9170.9-179.1-167.80116.4K171 I181K171-K173 PolarHBondContact O-N 3.06Å; K173-I181 VanDerWaalsContact CA-O 3.28Å; K173-I181 WeakPolarHBondContact CA-O 3.28Å; K173-I181 PolarHBondContact N-O 2.68Å
174E81.4Confident82.1Confident85 Ų8571 Ų7140%0.39735%0.352SS..  trans-65.4156.5163.9-73.1-172.5-174.600111F130 K171 I181F130-E174 HydrophobicContact CE2-CB 3.37Å; F130-E174 HydrophobicContact CZ-CB 3.62Å; K171-E174 HydrophobicContact CB-CG 4.22Å; K171-E174 WeakPolarHBondContact CG-OE1 3.49Å; K171-E174 WeakPolarHBondContact O-CB 3.35Å; K171-E174 WeakPolarHBondContact O-CG 3.17Å; K171-E174 PolarHBondContact O-N 2.82Å; K171-E174 VanDerWaalsContact O-N 3.16Å; E174-I181 PolarHBondContact O-N 2.89Å
175R79.1Confident82.1Confident193 Ų19377.5 Ų77.573%0.72838%0.379SS*.EExtended strand (participates in β ladder)trans-105127.9-172.7-65.1-178.4178.9-163.4-0.8111.2R179R175-R179 CarbonylContact C-O 3.28Å; R175-R179 VanDerWaalsContact CA-O 3.27Å; R175-R179 WeakPolarHBondContact CA-O 3.43Å
176I82.4Confident81.8Confident17 Ų1777.6 Ų77.69%0.08738%0.38CS..EExtended strand (participates in β ladder)trans-103.6110.8164.5-61.3179.9000107.1L118 P119 F130 H178 R179 I181L118-I176 HydrophobicContact CD2-CD1 3.8Å; P119-I176 HydrophobicContact CG-CB 4.43Å; P119-I176 HydrophobicContact CG-CG2 3.88Å; F130-I176 HydrophobicContact CB-CD1 3.7Å; F130-I176 HydrophobicContact CB-CG1 4.15Å; F130-I176 HydrophobicContact CD1-CD1 4.21Å; F130-I176 HydrophobicContact CD2-CD1 3.59Å; F130-I176 HydrophobicContact CD2-CG1 3.3Å; F130-I176 HydrophobicContact CE2-CD1 4.16Å; F130-I176 HydrophobicContact CE2-CG1 3.76Å; F130-I176 HydrophobicContact CG-CD1 3.58Å; F130-I176 HydrophobicContact CG-CG1 3.86Å; I176-H178 PolarHBondContact O-N 3.21Å; I176-R179 PolarHBondContact N-O 2.97Å; I176-R179 PolarHBondContact O-N 2.83Å; I176-I181 HydrophobicContact CB-CD1 4.06Å; I176-I181 HydrophobicContact CB-CG1 3.9Å; I176-I181 HydrophobicContact CD1-CD1 4.22Å; I176-I181 HydrophobicContact CD1-CG1 3.67Å; I176-I181 HydrophobicContact CG1-CD1 4.22Å; I176-I181 HydrophobicContact CG1-CG1 3.56Å
177G79.1Confident81.3Confident73 Ų7373.7 Ų73.775%0.75337%0.365SS*.THydrogen-bonded Turntrans61.6-117.5-172.500000111.9
178H78.3Confident80.3Confident161 Ų16169.7 Ų69.775%0.74535%0.348SS*.THydrogen-bonded Turntrans-99.60.4-178.768.8-83.6000114I176I176-H178 PolarHBondContact O-N 3.21Å
179R82.1Confident79.1Confident51 Ų5173.6 Ų73.619%0.19237%0.366CS..EExtended strand (participates in β ladder)trans-113.7140.5-177-47.7-156.3-32.7-169.3-132.5110.3G117 L118 P119 R175 I176G117-R179 WeakPolarHBondContact O-CB 3.47Å; G117-R179 PolarHBondContact O-NE 3.32Å; G117-R179 PolarHBondContact O-NH1 2.99Å; L118-R179 VanDerWaalsContact C-NH1 3.32Å; L118-R179 PolarHBondContact O-NH1 3.23Å; L118-R179 PolarHBondContact O-NH2 2.98Å; P119-R179 VanDerWaalsContact CA-CZ 3.45Å; R175-R179 CarbonylContact C-O 3.28Å; R175-R179 VanDerWaalsContact CA-O 3.27Å; R175-R179 WeakPolarHBondContact CA-O 3.43Å; I176-R179 PolarHBondContact N-O 2.97Å; I176-R179 PolarHBondContact O-N 2.83Å
180Y86.9Confident78.2Confident146 Ų14673.5 Ų73.557%0.57336%0.364SS*.EExtended strand (participates in β ladder)trans-79.6141.316955.8-93.3000109E182Y180-E182 HydrophobicContact CD2-CG 4.16Å; Y180-E182 HydrophobicContact CE2-CG 4.22Å
181I88.6Confident77.5Confident0 Ų070.6 Ų70.60%033%0.333CS..  trans-104.1124.7-179.9-52.1-49.8000108.5L115 R116 G117 L118 F130 K173 E174 I176 V183L115-I181 HydrophobicContact CB-CG2 4.11Å; L115-I181 HydrophobicContact CD2-CG2 4.36Å; R116-I181 WeakPolarHBondContact O-CA 3.25Å; G117-I181 VanDerWaalsContact O-CD1 3.22Å; G117-I181 WeakPolarHBondContact O-CD1 3.35Å; L118-I181 HydrophobicContact CD2-CD1 3.82Å; L118-I181 HydrophobicContact CD2-CG1 4.27Å; L118-I181 HydrophobicContact CD2-CG2 4.25Å; L118-I181 HydrophobicContact CG-CD1 4.37Å; F130-I181 HydrophobicContact CE2-CG1 4.43Å; F130-I181 HydrophobicContact CZ-CB 4.15Å; F130-I181 HydrophobicContact CZ-CG1 4.49Å; F130-I181 HydrophobicContact CZ-CG2 4.49Å; K173-I181 VanDerWaalsContact CA-O 3.28Å; K173-I181 WeakPolarHBondContact CA-O 3.28Å; K173-I181 PolarHBondContact N-O 2.68Å; E174-I181 PolarHBondContact O-N 2.89Å; I176-I181 HydrophobicContact CB-CD1 4.06Å; I176-I181 HydrophobicContact CB-CG1 3.9Å; I176-I181 HydrophobicContact CD1-CD1 4.22Å; I176-I181 HydrophobicContact CD1-CG1 3.67Å; I176-I181 HydrophobicContact CG1-CD1 4.22Å; I176-I181 HydrophobicContact CG1-CG1 3.56Å; I181-V183 HydrophobicContact CG2-CG2 4.39Å
182E85.6Confident76.6Confident48 Ų4874.6 Ų74.622%0.22435%0.347CS..EExtended strand (participates in β ladder)trans-92.1120.8172.6-58.4-176.3118.600108.4L115 R116 Y180 F184L115-E182 CarbonylContact C-O 3.48Å; L115-E182 WeakPolarHBondContact CA-O 3.39Å; R116-E182 HydrophobicContact CB-CB 4.27Å; R116-E182 PolarHBondContact N-O 2.83Å; R116-E182 PolarHBondContact O-N 3.08Å; Y180-E182 HydrophobicContact CD2-CG 4.16Å; Y180-E182 HydrophobicContact CE2-CG 4.22Å; E182-F184 HydrophobicContact CB-CD2 4.23Å; E182-F184 HydrophobicContact CB-CE2 3.43Å; E182-F184 VanDerWaalsContact CB-CE2 3.43Å; E182-F184 HydrophobicContact CB-CZ 3.87Å; E182-F184 HydrophobicContact CG-CE2 4.46Å
183V87.1Confident75.5Confident4 Ų475.3 Ų75.32%0.02436%0.359CS..EExtended strand (participates in β ladder)trans-102.5121.6178.7-170.70000107.9V113 L115 F130 F131 L169 H172 I181V113-V183 HydrophobicContact CG1-CB 4.46Å; V113-V183 HydrophobicContact CG1-CG1 3.1Å; L115-V183 HydrophobicContact CD2-CB 4.42Å; L115-V183 HydrophobicContact CD2-CG1 4.05Å; L115-V183 HydrophobicContact CD2-CG2 3.96Å; F130-V183 HydrophobicContact CE1-CG2 4.38Å; F131-V183 HydrophobicContact CZ-CG2 4.47Å; L169-V183 HydrophobicContact CD2-CG1 4.22Å; H172-V183 HydrophobicContact CB-CB 4.26Å; H172-V183 PolarHBondContact ND1-N 2.85Å; H172-V183 PolarHBondContact ND1-O 3.38Å; I181-V183 HydrophobicContact CG2-CG2 4.39Å
184F84.5Confident74.4Confident66 Ų6674.5 Ų74.529%0.28935%0.353SS..EExtended strand (participates in β ladder)trans-120.7144.7178.8-62.6-80.7000109.9V113 R114 R116 E182V113-F184 CarbonylContact C-O 3.6Å; V113-F184 WeakPolarHBondContact CA-O 3.47Å; V113-F184 WeakPolarHBondContact CG1-O 3.38Å; R114-F184 HydrophobicContact CB-CB 4.43Å; R114-F184 PolarHBondContact N-O 2.86Å; R114-F184 VanDerWaalsContact NH2-CD2 3.26Å; R114-F184 PolarHBondContact O-N 2.81Å; R116-F184 HydrophobicContact CB-CD2 4.48Å; R116-F184 HydrophobicContact CB-CE2 4.12Å; E182-F184 HydrophobicContact CB-CD2 4.23Å; E182-F184 HydrophobicContact CB-CE2 3.43Å; E182-F184 VanDerWaalsContact CB-CE2 3.43Å; E182-F184 HydrophobicContact CB-CZ 3.87Å; E182-F184 HydrophobicContact CG-CE2 4.46Å
185K80.4Confident73.1Confident163 Ų16374.6 Ų74.671%0.70936%0.363SS*.EExtended strand (participates in β ladder)trans-65137166.763.9175.7-175.3172.30108.6L169L169-K185 HydrophobicContact CD1-CB 4.3Å; L169-K185 HydrophobicContact CD2-CB 4.28Å
186S72.7Confident71.6Confident11 Ų1170.8 Ų70.88%0.07736%0.357CS..EExtended strand (participates in β ladder)trans-142.3164.9180-1760000109.1F112 E190F112-S186 CarbonylContact C-O 3.53Å; F112-S186 WeakPolarHBondContact CB-O 3.49Å; F112-S186 PolarHBondContact O-N 2.86Å; F112-S186 VanDerWaalsContact O-N 3.08Å; S186-E190 WeakPolarHBondContact CB-OE2 3.32Å; S186-E190 PolarHBondContact OG-OE2 3.38Å
187S71.3Confident69.6Low29 Ų2974.8 Ų74.820%0.20338%0.384CS..  trans-116.9156.8177.769.90000110.6E189 E190S187-E189 WeakPolarHBondContact CB-OE2 3.3Å; S187-E189 PolarHBondContact O-N 2.8Å; S187-E189 VanDerWaalsContact O-N 3.11Å; S187-E189 PolarHBondContact OG-OE2 2.95Å; S187-E190 WeakPolarHBondContact O-CB 3.25Å; S187-E190 PolarHBondContact O-N 2.8Å
188Q61.6Low67.7Low40 Ų4076.6 Ų76.619%0.18738%0.383CS..Hα-helixtrans-59.1-23.8179.5-179.358.2-19.300112.8F112 R192F112-Q188 HydrophobicContact CD2-CB 3.86Å; F112-Q188 HydrophobicContact CE2-CB 3.63Å; F112-Q188 HydrophobicContact CE2-CG 4.01Å; F112-Q188 HydrophobicContact CG-CB 4.49Å; F112-Q188 HydrophobicContact CZ-CB 4.07Å; F112-Q188 HydrophobicContact CZ-CG 4.07Å; Q188-R192 PolarHBondContact O-N 2.73Å
189E57.3Low66Low81 Ų8176.6 Ų76.638%0.37939%0.387SS..Hα-helixtrans-69-34.4175-55.4105.2177.200112.7S187 R192 S193S187-E189 WeakPolarHBondContact CB-OE2 3.3Å; S187-E189 PolarHBondContact O-N 2.8Å; S187-E189 VanDerWaalsContact O-N 3.11Å; S187-E189 PolarHBondContact OG-OE2 2.95Å; E189-R192 PolarHBondContact O-N 3.08Å; E189-S193 PolarHBondContact O-N 3.32Å
190E63.3Low64.1Low60 Ų6083.1 Ų83.128%0.2842%0.417SS..Hα-helixtrans-65-45.2176.4-162.7176.9174.900109.5R114 F156 S186 S187 R192 S193 Y194R114-E190 IonicContact NE-OE1 3.17Å; F156-E190 HydrophobicContact CE1-CB 4.49Å; F156-E190 HydrophobicContact CE1-CG 4.15Å; F156-E190 HydrophobicContact CZ-CG 4.49Å; S186-E190 WeakPolarHBondContact CB-OE2 3.32Å; S186-E190 PolarHBondContact OG-OE2 3.38Å; S187-E190 WeakPolarHBondContact O-CB 3.25Å; S187-E190 PolarHBondContact O-N 2.8Å; E190-R192 VanDerWaalsContact C-N 3.32Å; E190-R192 PolarHBondContact O-N 3.16Å; E190-S193 PolarHBondContact O-N 3.02Å; E190-S193 VanDerWaalsContact O-N 3.14Å; E190-S193 PolarHBondContact O-OG 3.47Å; E190-Y194 HydrophobicContact CG-CD2 4.47Å; E190-Y194 HydrophobicContact CG-CE2 4.25Å; E190-Y194 WeakPolarHBondContact O-CD2 3.47Å; E190-Y194 PolarHBondContact O-N 3.47Å
191V64.8Low61.7Low8 Ų885.1 Ų85.15%0.04843%0.429CS..Hα-helixtrans-57.6-43.7176.4-168.10000111.9F112 T142 F156 Y194 S195F112-V191 HydrophobicContact CD1-CG2 3.82Å; F112-V191 HydrophobicContact CE1-CG2 4.07Å; T142-V191 HydrophobicContact CG2-CG1 3.91Å; F156-V191 HydrophobicContact CB-CB 4.46Å; F156-V191 HydrophobicContact CB-CG1 4.06Å; F156-V191 HydrophobicContact CB-CG2 3.65Å; F156-V191 HydrophobicContact CD1-CG2 3.65Å; F156-V191 HydrophobicContact CD2-CG1 4.27Å; F156-V191 HydrophobicContact CD2-CG2 4.44Å; F156-V191 HydrophobicContact CE1-CG2 4.35Å; F156-V191 HydrophobicContact CG-CB 4.33Å; F156-V191 HydrophobicContact CG-CG1 4.18Å; F156-V191 HydrophobicContact CG-CG2 3.67Å; V191-Y194 PolarHBondContact O-N 3.31Å; V191-S195 PolarHBondContact O-N 3.29Å; V191-S195 VanDerWaalsContact O-N 3.17Å
192R58Low59.3Low128 Ų12892.4 Ų92.448%0.48347%0.465SS..Hα-helixtrans-65.8-39.5177.6-74.4-179.3178.2176.40.9112.3Q188 E189 E190 Y194 S195 D196Q188-R192 PolarHBondContact O-N 2.73Å; E189-R192 PolarHBondContact O-N 3.08Å; E190-R192 VanDerWaalsContact C-N 3.32Å; E190-R192 PolarHBondContact O-N 3.16Å; R192-Y194 PolarHBondContact O-N 3.41Å; R192-S195 PolarHBondContact O-N 2.68Å; R192-S195 VanDerWaalsContact O-N 3.11Å; R192-D196 PolarHBondContact O-N 2.66Å
193S58.9Low57.2Low80 Ų8094.6 Ų94.656%0.55949%0.485SS*.Hα-helixtrans-63.8-26178.5730000114E189 E190E189-S193 PolarHBondContact O-N 3.32Å; E190-S193 PolarHBondContact O-N 3.02Å; E190-S193 VanDerWaalsContact O-N 3.14Å; E190-S193 PolarHBondContact O-OG 3.47Å
194Y59.5Low55.3Low121 Ų12199.9 Ų99.948%0.47552%0.518SS..Hα-helixtrans-86.6-25.5173.4-83.6-93.6000113.3F156 E190 V191 R192F156-Y194 HydrophobicContact CE2-CD2 4.27Å; F156-Y194 HydrophobicContact CE2-CG 4.27Å; F156-Y194 AromaticContact CZ-CD2 3.82Å; F156-Y194 HydrophobicContact CZ-CD2 3.82Å; F156-Y194 HydrophobicContact CZ-CE2 4.1Å; F156-Y194 HydrophobicContact CZ-CG 4.27Å; E190-Y194 HydrophobicContact CG-CD2 4.47Å; E190-Y194 HydrophobicContact CG-CE2 4.25Å; E190-Y194 WeakPolarHBondContact O-CD2 3.47Å; E190-Y194 PolarHBondContact O-N 3.47Å; V191-Y194 PolarHBondContact O-N 3.31Å; R192-Y194 PolarHBondContact O-N 3.41Å
195S53.4Low53.3Low86 Ų86104.6 Ų104.660%0.60154%0.541SS*.Hα-helixtrans-86-28.5-178.5-171.40000113.3V191 R192 P197V191-S195 PolarHBondContact O-N 3.29Å; V191-S195 VanDerWaalsContact O-N 3.17Å; R192-S195 PolarHBondContact O-N 2.68Å; R192-S195 VanDerWaalsContact O-N 3.11Å; S195-P197 WeakPolarHBondContact O-CD 3.25Å
196D47Very low51.6Low113 Ų113108 Ų10860%0.60455%0.549SS*.SBendtrans-80.7120.9173.1-76.9-35000108.7R192R192-D196 PolarHBondContact O-N 2.66Å
197P42Very low50.2Low101 Ų101112.3 Ų112.366%0.65658%0.577SS**PPolyproline II helixtrans-51.7142.2162-13.625.3000106.6S195 L199S195-P197 WeakPolarHBondContact O-CD 3.25Å; P197-L199 PolarHBondContact O-N 3.46Å
198P38.2Very low49.1Very low112 Ų112112.8 Ų112.873%0.72759%0.586SS**PPolyproline II helixtrans-53.1117.1170.323.8-30.8000105.3K200P198-K200 PolarHBondContact O-N 3.32Å
199L42.8Very low48.4Very low160 Ų160117.3 Ų117.384%0.83862%0.619SS**  trans-53.8101.5161.9-78.8171.5000102.8P197 F201P197-L199 PolarHBondContact O-N 3.46Å; L199-F201 PolarHBondContact O-N 3.08Å
200K43Very low47.8Very low189 Ų189124.1 Ų124.182%0.82264%0.643SS**  trans-55.395.2157.1-74.8-178179.3176.40102P198 M202P198-K200 PolarHBondContact O-N 3.32Å; K200-M202 PolarHBondContact O-N 3.45Å
201F35.5Very low47Very low188 Ų188126.8 Ų126.883%0.82566%0.659SS**  trans-53.389150.8-109.5-92000102.9L199 S203L199-F201 PolarHBondContact O-N 3.08Å; F201-S203 PolarHBondContact O-N 2.98Å
202M38.3Very low46.2Very low153 Ų153137.7 Ų137.775%0.75470%0.699SS**  trans-57.895.3146.9-68.3-156.9-61.200102K200 V204K200-M202 PolarHBondContact O-N 3.45Å; M202-V204 HydrophobicContact CB-CG2 4.25Å; M202-V204 PolarHBondContact O-N 3.42Å
203S41.3Very low45.4Very low93 Ų93137.6 Ų137.665%0.6572%0.715SS**  trans-57.778.5156.953.60000105.7F201 Q205F201-S203 PolarHBondContact O-N 2.98Å; S203-Q205 PolarHBondContact O-N 3.46Å
204V46.9Very low44.3Very low116 Ų116136.9 Ų136.970%0.70372%0.72SS**  trans-66.983.3154-179.60000102.7M202 R206M202-V204 HydrophobicContact CB-CG2 4.25Å; M202-V204 PolarHBondContact O-N 3.42Å; V204-R206 PolarHBondContact O-N 3Å
205Q42.5Very low43.4Very low165 Ų165138 Ų13877%0.77174%0.74SS**  trans-50.4112.1165.1-79.5176.7-11.200105.2S203 P207S203-Q205 PolarHBondContact O-N 3.46Å; Q205-P207 VanDerWaalsContact O-CD 3.28Å; Q205-P207 WeakPolarHBondContact O-CD 3.36Å
206R46.3Very low42.6Very low233 Ų233138.7 Ų138.788%0.87975%0.751SS**PPolyproline II helixtrans-57120.8166.6-78.9-171.8176-162.51.2105.9V204 G208V204-R206 PolarHBondContact O-N 3Å; R206-G208 PolarHBondContact O-N 2.71Å
207P42.7Very low42.2Very low103 Ų103144 Ų14467%0.66976%0.763SS**PPolyproline II helixtrans-53.8127.8-178.6-27.735.8000110Q205 D211Q205-P207 VanDerWaalsContact O-CD 3.28Å; Q205-P207 WeakPolarHBondContact O-CD 3.36Å; P207-D211 WeakPolarHBondContact CA-OD2 3.49Å; P207-D211 HydrophobicContact CB-CB 3.93Å; P207-D211 WeakPolarHBondContact CB-OD2 3.41Å
208G48.3Very low41.9Very low39 Ų39149.5 Ų149.540%0.40277%0.77SS.*PPolyproline II helixtrans-68158.5174.100000109.3R206 Y210 D211R206-G208 PolarHBondContact O-N 2.71Å; G208-Y210 PolarHBondContact O-N 3.04Å; G208-D211 PolarHBondContact N-OD2 3.09Å; G208-D211 PolarHBondContact O-N 2.88Å; G208-D211 VanDerWaalsContact O-N 3.11Å
209P46.1Very low41.6Very low135 Ų135154 Ų15488%0.87778%0.775SS**THydrogen-bonded Turntrans-58.510.3-179.5-2635.3000117.4
210Y45.6Very low41.3Very low224 Ų224152.4 Ų152.488%0.87877%0.765SS**THydrogen-bonded Turntrans-121.56.9177.4-76.3-78000114.8G208 R212G208-Y210 PolarHBondContact O-N 3.04Å; Y210-R212 PolarHBondContact O-N 3.21Å
211D46.1Very low40.7Very low116 Ų116147.2 Ų147.262%0.6277%0.765SS**  trans-75.898.9176.4-71.4-44.1000111.7P207 G208P207-D211 WeakPolarHBondContact CA-OD2 3.49Å; P207-D211 HydrophobicContact CB-CB 3.93Å; P207-D211 WeakPolarHBondContact CB-OD2 3.41Å; G208-D211 PolarHBondContact N-OD2 3.09Å; G208-D211 PolarHBondContact O-N 2.88Å; G208-D211 VanDerWaalsContact O-N 3.11Å
212R48Very low40.5Very low236 Ų236145.5 Ų145.589%0.89176%0.763SS**  trans-85.8132.2179.7-160.8178.6-162.2171.44.8110.5Y210Y210-R212 PolarHBondContact O-N 3.21Å
213P41.6Very low40.1Very low126 Ų126144.6 Ų144.682%0.81877%0.766SS**  trans-77.5126.8179.829.9-31.2000110.7
214G34.7Very low39.6Very low65 Ų65150.1 Ų150.167%0.6778%0.778SS**  trans-173.386.7177.400000114.9
215T40.8Very low38.7Very low145 Ų145153.6 Ų153.689%0.8979%0.787SS**  trans62.984.5155.7350000118.3R217T215-R217 PolarHBondContact O-N 3.28Å
216A37.9Very low38.1Very low101 Ų101150.5 Ų150.584%0.83579%0.79SS**  trans-61.6126.5143.200000109.9
217R36.8Very low37.3Very low224 Ų224143 Ų14385%0.84578%0.784SS**  trans-153110.2137-123.2-176.7-171.7-176.83111.8T215T215-R217 PolarHBondContact O-N 3.28Å
218R36.8Very low36.8Very low216 Ų216145.9 Ų145.982%0.81579%0.793SS**  trans-45.3142.8153.3-54.2-174.5-175.3-169.51.5109.7
219Y32.6Very low35.8Very low208 Ų208150.6 Ų150.682%0.81681%0.805SS**  trans-145.4107.9136.7-113.5-84.2000111
220I35.9Very low35.1Very low125 Ų125153.8 Ų153.864%0.64180%0.8SS**  trans-54.2122.3151.2-74.6154.2000107.6I222I220-I222 PolarHBondContact O-N 2.99Å
221G29.9Very low34.4Very low80 Ų80151.3 Ų151.383%0.82580%0.798SS**  trans-73.5109176.400000111.6
222I32.1Very low33.7Very low152 Ų152157.2 Ų157.278%0.77981%0.812SS**  trans-101.1125.8160.4-77.8176.3000108.1I220I220-I222 PolarHBondContact O-N 2.99Å
223V29.6Very low33.5Very low134 Ų134151.6 Ų151.681%0.81281%0.806SS**  trans-51.9128.3172175.10000111.6
224K30.7Very low32.8Very low209 Ų209149.4 Ų149.491%0.90981%0.806SS**  trans-164.5146.9143-110.1171.1-174.3-177.60112.9
225Q28.1Very low32.6Very low189 Ų189151.3 Ų151.388%0.88382%0.815SS**  trans-82.3167.4-162.7-179.2176.10.800114.6
226A29.8Very low32Very low101 Ų101155.6 Ų155.684%0.83582%0.817SS**  trans94.3124.9175.600000113.4
227G29Very low31.6Very low74 Ų74154.9 Ų154.976%0.76381%0.806SS**  cis136.113819.200000107.2
228L31.5Very low31.1Very low164 Ų164151 Ų15186%0.85981%0.807SS**  trans97.494.5163.8-15068.6000119.1
229E28.6Very low30.6Very low139 Ų139143.6 Ų143.665%0.6580%0.798SS**  44.1116.1122.4-90.8-157.5-168.900121.5
230R32.1Very low30.3Very low202 Ų202145.3 Ų145.376%0.76281%0.805SS**  154127101.8-98166.7-164.4-160.63.9114.1
231M29.4Very low30Very low171 Ų171143.2 Ų143.284%0.84281%0.814SS**  trans55.2107.8136.1-63.2-179.117500121.6
232R30.9Very low29.7Very low241 Ų241142.8 Ų142.891%0.90981%0.81SS**  7.4166.9124-101.2-161.9167.5178.1-1.2119.2
233P44.3Very low29.5Very low117 Ų117146 Ų14676%0.7681%0.814SS**  cis-138.4177.4-44.135-15.2000112.4
234G27.8Very low29.4Very low81 Ų81147.8 Ų147.884%0.83581%0.813SS**  trans-167.190.4168.300000114.3
235A29.9Very low29.2Very low104 Ų104146.1 Ų146.186%0.8681%0.808SS**PPolyproline II helixtrans-92.5139.5164.300000109.2
236Y28.5Very low29.2Very low236 Ų236146.7 Ų146.793%0.92580%0.804SS**PPolyproline II helixtrans-96.2135.7165-146.8-93.7000110
237S28.6Very low29.1Very low85 Ų85146.4 Ų146.459%0.59480%0.796SS**PPolyproline II helixtrans-62.1145.7-173.7-179.70000115.8
238T27.1Very low28.9Very low143 Ų143146.5 Ų146.588%0.87780%0.797SS**  162.4139.2118.523.90000108.9
239G25.5Very low28.8Very low61 Ų61146.9 Ų146.963%0.62980%0.799SS**  cis168.2152.50.800000109.4
240Y28Very low28.7Very low243 Ų243145 Ų14595%0.95380%0.801SS**  trans81.3120.7157.6-77.9-89.1000122.7
241G28.1Very low28.6Very low81 Ų81142.9 Ų142.984%0.83581%0.805SS**  trans131.188.5134.700000116
242G24.8Very low28.5Very low71 Ų71138.2 Ų138.273%0.73280%0.801SS**  trans-102.9167.217400000114.6
243Y27.6Very low28.8Very low221 Ų221138.7 Ų138.787%0.86780%0.804SS**  trans-166133135.458.9-90.1000111.7
244E28.1Very low28Very low171 Ų171136.3 Ų136.380%0.79980%0.801SS**  trans20.9115.4148.7-63.4172.7-178.600120.1
245E26.6Very low28.4Very low173 Ų173140.7 Ų140.781%0.80880%0.797SS**  80.6107.181.2-167178.7-165.100114.2
246Y26.1Very low28.3Very low201 Ų201141.9 Ų141.979%0.78879%0.794SS**  174.2126119.9-148.5-110.7000111.3
247S27.8Very low28.5Very low95 Ų95134.7 Ų134.766%0.66478%0.775SS**  trans25.7132.6142.4-32.30000121.4
248G26.5Very low28.6Very low76 Ų76136 Ų13678%0.78478%0.775SS**  trans159.9119.9147.800000115.8
249L28.1Very low29.5Very low172 Ų172137.3 Ų137.390%0.90178%0.776SS**  trans-67.2163.3175.2-77.279.6000113.7
250S27.4Very low30.2Very low100 Ų100144.2 Ų144.270%0.69979%0.789SS**  trans89.1115.4148.5-116.20000119.1
251D30.2Very low30.8Very low157 Ų157135.4 Ų135.484%0.8477%0.772SS**  trans45.899.4132.5-54-50.2000118.5
252G27Very low31.3Very low73 Ų73142 Ų14275%0.75377%0.772SS**  trans-161.3116.5165.800000111.1G254G252-G254 PolarHBondContact O-N 3.38Å
253Y36.3Very low31.5Very low251 Ų251144.5 Ų144.598%0.98477%0.768SS**  trans-44.9129.3172.2-79.6-108.5000112
254G27.3Very low32Very low67 Ų67139.7 Ų139.769%0.69176%0.757SS**  trans-157.399.9-177.800000113.9G252G252-G254 PolarHBondContact O-N 3.38Å
255F36.6Very low32.6Very low173 Ų173135.2 Ų135.276%0.75975%0.745SS**  trans-13129.5150.3-128.9-105.1000116.2
256T28.2Very low33.1Very low130 Ų130137.3 Ų137.380%0.79875%0.747SS**  trans-122.7106.7162.267.10000110.2
257T33.1Very low33.6Very low85 Ų85132.1 Ų132.152%0.52174%0.739SS.*  trans-87134.7168.5-45.50000108.9
258D30.8Very low33.9Very low112 Ų112135.8 Ų135.860%0.59975%0.75SS**  trans-84.2157.4169.4-80.7-41.7000112.6F260 G261D258-F260 PolarHBondContact O-N 3.19Å; D258-G261 PolarHBondContact O-N 3.39Å
259L45.7Very low34.2Very low171 Ų171138.4 Ų138.490%0.89576%0.756SS**THydrogen-bonded Turntrans-65.125.4-168.7-145.177.5000116.3
260F39.8Very low34.5Very low205 Ų205133 Ų13390%0.89974%0.743SS**THydrogen-bonded Turntrans-140.811.8168.2-77.5-76.5000113.8D258D258-F260 PolarHBondContact O-N 3.19Å
261G41.8Very low34.7Very low58 Ų58136.7 Ų136.760%0.59875%0.751SS**  trans65.246.716500000115.8D258D258-G261 PolarHBondContact O-N 3.39Å
262R38.4Very low34.6Very low221 Ų221140.3 Ų140.383%0.83475%0.754SS**  trans-131.8135.6162.3-64.7-164.4-143.3-159.77.4111.3
263D29.1Very low34.7Very low122 Ų122143.4 Ų143.465%0.65275%0.754SS**  trans-60.3131.9-177.6-92.6-44.1000113.2
264L38.2Very low34.5Very low121 Ų121140.4 Ų140.463%0.63475%0.748SS**  trans-115.457.8175.7-148.791000110.2Y266 C267L264-Y266 PolarHBondContact O-N 3.08Å; L264-C267 HydrophobicContact CD2-CB 4.28Å
265S40.3Very low34.6Very low77 Ų77147.8 Ų147.854%0.53876%0.755SS.*THydrogen-bonded Turntrans-88.69.7-170.863.10000116.6
266Y37Very low34.3Very low216 Ų216151.2 Ų151.285%0.84777%0.765SS**THydrogen-bonded Turntrans-129.67.8-178.3-59.2-70.4000115.9L264L264-Y266 PolarHBondContact O-N 3.08Å
267C36.6Very low34.4Very low92 Ų92148.4 Ų148.462%0.62276%0.761SS**SBendtrans-108.338.5-172.1-61.70000114.9L264L264-C267 HydrophobicContact CD2-CB 4.28Å
268L34.4Very low34.3Very low173 Ų173152.7 Ų152.791%0.90678%0.781SS**  trans-173.488.4153-137.264.4000114.4
269S32.5Very low34.4Very low130 Ų130152.7 Ų152.791%0.90979%0.79SS**  trans-166123.3144-169.90000106.8
270G33.1Very low34Very low60 Ų60152.2 Ų152.262%0.61978%0.783SS**  cis-179.2128.96.500000104.5Y272G270-Y272 PolarHBondContact O-N 3.47Å
271M33.3Very low33.6Very low177 Ų177152.2 Ų152.287%0.87278%0.783SS**  trans-49.2117.5176.3-67.4124.360.800112.1
272Y28.3Very low33.3Very low233 Ų233154.6 Ų154.691%0.91479%0.786SS**  trans-139.5110.9145.2-83.1-74.7000110.7G270G270-Y272 PolarHBondContact O-N 3.47Å
273D27.8Very low33.5Very low138 Ų138147.8 Ų147.874%0.73877%0.769SS**  trans54.8106.9150.9-138.9-102.9000120.6
274H32.3Very low34Very low188 Ų188150.3 Ų150.387%0.8778%0.777SS**  trans-67.6127.9167.6-70.4-70000112.5
275R28.5Very low34.4Very low222 Ų222147 Ų14784%0.83876%0.763SS**  trans-134.9109.3148.4-65.4-160.4-149.4-178.312.5111.6
276Y30.6Very low35Very low245 Ų245148.2 Ų148.296%0.96177%0.768SS**  trans31.7113.7157.1-82.8-91.1000119.5
277G30.2Very low36.1Very low70 Ų70139.6 Ų139.672%0.72274%0.738SS**  trans137.9100.2152.200000113.8
278D32.7Very low37.5Very low176 Ų176136.4 Ų136.494%0.94172%0.72SS**  trans30100.9142.8-134.56.7000117.3
279S31.3Very low39.7Very low111 Ų111129.3 Ų129.378%0.77668%0.682SS**  trans-117.392.9171.4-164.90000109.8
280E37.4Very low42.1Very low162 Ų162124.1 Ų124.176%0.75765%0.646SS**  trans-46.4141.6147.1-161166.389.100109.7T282E280-T282 PolarHBondContact O-N 2.97Å
281F32.9Very low44.7Very low205 Ų205121.2 Ų121.290%0.89962%0.616SS**  trans-74.870.7-171.5-147.4-91.5000110.4V283F281-V283 PolarHBondContact O-N 3.14Å
282T34.3Very low47.3Very low108 Ų108114.1 Ų114.166%0.66358%0.581SS**  trans-83.9113.8173.240.60000109.5E280 Q284E280-T282 PolarHBondContact O-N 2.97Å; T282-Q284 PolarHBondContact O-N 3.14Å
283V43Very low50.3Low77 Ų77103 Ų10347%0.46754%0.537SS..  trans-59.3118.5169.9-1740000107.2F281 S285F281-V283 PolarHBondContact O-N 3.14Å; V283-S285 PolarHBondContact O-N 3.14Å
284Q40.3Very low53.1Low176 Ų176101.8 Ų101.882%0.82252%0.522SS*.  trans-57.9106.5179-70.4178.7-25.500109.6T282 T286T282-Q284 PolarHBondContact O-N 3.14Å; Q284-T286 PolarHBondContact O-N 2.85Å; Q284-T286 VanDerWaalsContact O-N 3.11Å
285S44.7Very low55.6Low50 Ų5093.4 Ų93.435%0.3549%0.487SS..  trans-61.9113.4172.7-51.70000108V283 T287 G288V283-S285 PolarHBondContact O-N 3.14Å; S285-T287 PolarHBondContact O-N 3.01Å; S285-G288 PolarHBondContact O-N 3.4Å
286T53.5Low58.3Low104 Ų10483.1 Ų83.164%0.63845%0.448SS*.SBendtrans-65.3-19.9177.540.10000112.9Q284 R316 E334Q284-T286 PolarHBondContact O-N 2.85Å; Q284-T286 VanDerWaalsContact O-N 3.11Å; T286-R316 PolarHBondContact OG1-NH2 2.95Å; T286-E334 PolarHBondContact N-OE1 3.04Å; T286-E334 PolarHBondContact OG1-OE1 2.78Å
287T60.2Low60.9Low35 Ų3571.8 Ų71.822%0.21541%0.405CS..SBendtrans-113-14.2-17860.30000113.4S285 H289 E334 F335S285-T287 PolarHBondContact O-N 3.01Å; T287-H289 PolarHBondContact O-CD2 3.37Å; T287-H289 VanDerWaalsContact O-CD2 3.24Å; T287-H289 PolarHBondContact O-N 2.83Å; T287-H289 PolarHBondContact OG1-N 2.93Å; T287-E334 WeakPolarHBondContact CB-OE1 3.41Å; T287-E334 PolarHBondContact N-OE1 2.81Å; T287-E334 WeakPolarHBondContact OG1-CG 3.27Å; T287-E334 PolarHBondContact OG1-OE1 2.89Å; T287-F335 WeakPolarHBondContact CB-O 3.41Å; T287-F335 PolarHBondContact OG1-O 2.88Å
288G67.2Low63.3Low24 Ų2476.7 Ų76.725%0.24740%0.403CS..SBendtrans66.213-175.300000115.1S285 T364S285-G288 PolarHBondContact O-N 3.4Å; G288-T364 PolarHBondContact O-N 3.28Å
289H80.5Confident65.5Low24 Ų2477.1 Ų77.111%0.11140%0.396CS..EExtended strand (participates in β ladder)trans-124.985.2-177.3-58.3-40.4000110.4T287 F335 T337 H338 A341T287-H289 PolarHBondContact O-CD2 3.37Å; T287-H289 VanDerWaalsContact O-CD2 3.24Å; T287-H289 PolarHBondContact O-N 2.83Å; T287-H289 PolarHBondContact OG1-N 2.93Å; H289-F335 PolarHBondContact O-N 3.03Å; H289-T337 VanDerWaalsContact CD2-C 3.41Å; H289-H338 PolarHBondContact CD2-N 3.47Å; H289-H338 PolarHBondContact NE2-N 3.26Å; H289-A341 HydrophobicContact CB-CB 4.45Å
290C82Confident67.9Low21 Ų2172.3 Ų72.314%0.14236%0.363CS..EExtended strand (participates in β ladder)trans-110.6151.6175.656.40000112.3V333 N362C290-V333 CarbonylContact C-O 3.54Å; C290-V333 WeakPolarHBondContact CA-O 3.28Å; C290-N362 PolarHBondContact N-O 3.17Å; C290-N362 CarbonylContact O-C 3.56Å; C290-N362 VanDerWaalsContact O-CA 3.24Å; C290-N362 WeakPolarHBondContact O-CA 3.44Å; C290-N362 WeakPolarHBondContact O-CB 3.17Å; C290-N362 PolarHBondContact O-N 2.9Å; C290-N362 WeakPolarHBondContact SG-CB 3.46Å; C290-N362 PolarHBondContact SG-O 3.49Å
291V88Confident70.1Confident0 Ų068 Ų680%035%0.348CS..EExtended strand (participates in β ladder)trans-121.5119.7170.8177.90000106.6V333 F335 A341 A344 M345 L359 F360 L361V291-V333 PolarHBondContact N-O 3.07Å; V291-V333 PolarHBondContact O-N 3.03Å; V291-F335 HydrophobicContact CB-CD2 4.42Å; V291-F335 HydrophobicContact CB-CE2 3.88Å; V291-F335 HydrophobicContact CG2-CD2 3.8Å; V291-F335 HydrophobicContact CG2-CE2 3.54Å; V291-A341 HydrophobicContact CG2-CB 3.93Å; V291-A344 HydrophobicContact CG2-CB 4.45Å; V291-M345 HydrophobicContact CG1-SD 4.08Å; V291-L359 HydrophobicContact CG1-CB 3.97Å; V291-L359 HydrophobicContact CG1-CD2 4.16Å; V291-F360 CarbonylContact C-O 3.49Å; V291-F360 VanDerWaalsContact CA-O 3.32Å; V291-F360 WeakPolarHBondContact CA-O 3.13Å; V291-L361 HydrophobicContact CG2-CD1 3.98Å
292H88.6Confident72.6Confident28 Ų2863.1 Ų63.113%0.1333%0.328CS..EExtended strand (participates in β ladder)trans-85.1131174.3-178.781.8000109.1R294 E320 D332 L359 F360H292-R294 VanDerWaalsContact NE2-CG 3.3Å; H292-R294 WeakPolarHBondContact NE2-CG 3.47Å; H292-E320 IonicContact CE1-OE1 2.79Å; H292-D332 WeakPolarHBondContact CB-OD1 3.25Å; H292-D332 IonicContact CE1-OD1 2.75Å; H292-D332 IonicContact CG-OD1 3.66Å; H292-D332 IonicContact ND1-OD1 3.47Å; H292-D332 PolarHBondContact ND1-OD1 2.89Å; H292-L359 CarbonylContact O-C 3.6Å; H292-L359 WeakPolarHBondContact O-CA 3.24Å; H292-F360 HydrophobicContact CB-CB 4.23Å; H292-F360 AromaticContact CD2-CD2 3.96Å; H292-F360 PolarHBondContact N-O 3.25Å; H292-F360 PolarHBondContact O-N 3.26Å
293M89.5Confident75Confident0 Ų062.7 Ų62.70%032%0.322CS..EExtended strand (participates in β ladder)trans-111134.8-178.9-52-179.473.200109.7L296 I305 F308 F309 E330 A331 V333 M352 I357 E358 L359M293-L296 HydrophobicContact CE-CD2 3.9Å; M293-I305 HydrophobicContact CE-CG2 4.17Å; M293-I305 HydrophobicContact SD-CG1 4.47Å; M293-I305 HydrophobicContact SD-CG2 3.62Å; M293-F308 HydrophobicContact CE-CD1 3.96Å; M293-F308 HydrophobicContact CE-CE1 4.1Å; M293-F309 HydrophobicContact CE-CE2 3.51Å; M293-F309 HydrophobicContact CE-CZ 3.63Å; M293-F309 HydrophobicContact CG-CE2 4.36Å; M293-F309 HydrophobicContact CG-CZ 4.18Å; M293-F309 HydrophobicContact SD-CE2 3.41Å; M293-F309 WeakPolarHBondContact SD-CE2 3.33Å; M293-F309 HydrophobicContact SD-CZ 3.77Å; M293-E330 CarbonylContact O-C 3.57Å; M293-E330 VanDerWaalsContact O-CA 3.26Å; M293-E330 WeakPolarHBondContact O-CA 3.3Å; M293-A331 WeakPolarHBondContact CA-O 3.23Å; M293-A331 HydrophobicContact CB-CB 4.43Å; M293-A331 WeakPolarHBondContact CB-O 3.01Å; M293-A331 PolarHBondContact N-O 2.71Å; M293-A331 PolarHBondContact O-N 3.15Å; M293-V333 HydrophobicContact CG-CG2 3.9Å; M293-V333 HydrophobicContact SD-CB 4.49Å; M293-V333 HydrophobicContact SD-CG2 3.35Å; M293-V333 WeakPolarHBondContact SD-CG2 3.38Å; M293-M352 HydrophobicContact CE-CE 4.23Å; M293-I357 HydrophobicContact CB-CG2 4.44Å; M293-I357 HydrophobicContact CE-CG2 3.7Å; M293-E358 CarbonylContact C-O 3.56Å; M293-E358 WeakPolarHBondContact CA-O 3.45Å; M293-L359 HydrophobicContact CB-CD2 4.08Å; M293-L359 HydrophobicContact CE-CD2 3.94Å; M293-L359 HydrophobicContact CG-CD2 3.59Å; M293-L359 HydrophobicContact SD-CD2 4.48Å
294R87.9Confident77.1Confident112 Ų11261.2 Ų61.242%0.42331%0.311SS..EExtended strand (participates in β ladder)trans-126.6151.8172.3-57.9-17880.9177.59.5111H292 G329 E330 E358 F360H292-R294 VanDerWaalsContact NE2-CG 3.3Å; H292-R294 WeakPolarHBondContact NE2-CG 3.47Å; R294-G329 CarbonylContact C-O 3.53Å; R294-E330 HydrophobicContact CG-CG 4.18Å; R294-E330 IonicContact CZ-OE1 3.98Å; R294-E330 IonicContact NE-OE1 3.8Å; R294-E330 PolarHBondContact NE-OE1 3.07Å; R294-E330 IonicContact NH2-OE1 3.94Å; R294-E330 PolarHBondContact NH2-OE1 2.77Å; R294-E358 PolarHBondContact N-O 3.5Å; R294-E358 PolarHBondContact O-N 3.47Å; R294-F360 HydrophobicContact CB-CE2 4.15Å; R294-F360 VanDerWaalsContact CD-CE2 3.49Å; R294-F360 HydrophobicContact CG-CD2 4.21Å; R294-F360 HydrophobicContact CG-CE2 3.78Å
295G84.1Confident79.3Confident12 Ų1252.9 Ų52.912%0.12427%0.272CS..  trans91.111.5174.800000115G329 R355 I357G295-G329 PolarHBondContact N-O 3.34Å; G295-R355 PolarHBondContact O-NE 2.76Å; G295-I357 WeakPolarHBondContact O-CD1 3.25Å
296L86.1Confident81.3Confident6 Ų654.3 Ų54.33%0.03127%0.27CS..  trans-55.1137.3177-70.9169.6000111.3M293 A300 I305 G329 A331 M352 I357M293-L296 HydrophobicContact CE-CD2 3.9Å; L296-A300 HydrophobicContact CB-CB 4.47Å; L296-I305 HydrophobicContact CD1-CD1 3.77Å; L296-I305 HydrophobicContact CD1-CG1 4.38Å; L296-I305 HydrophobicContact CD2-CD1 4.34Å; L296-I305 HydrophobicContact CD2-CG1 4.05Å; L296-G329 PolarHBondContact N-O 2.79Å; L296-A331 HydrophobicContact CD1-CB 3.36Å; L296-M352 HydrophobicContact CD2-CE 3.61Å; L296-M352 HydrophobicContact CD2-SD 3.74Å; L296-I357 HydrophobicContact CD2-CD1 3.98Å; L296-I357 HydrophobicContact CG-CD1 4.45Å
297P84Confident82.9Confident6 Ų654 Ų544%0.03927%0.265CS..  trans-54.6141.5171-23.630.5000111.5K299 A300 M352 R355P297-K299 PolarHBondContact O-N 3.25Å; P297-A300 HydrophobicContact CB-CB 4.22Å; P297-A300 HydrophobicContact CG-CB 4.38Å; P297-A300 VanDerWaalsContact O-CB 3.22Å; P297-A300 WeakPolarHBondContact O-CB 3.37Å; P297-A300 PolarHBondContact O-N 3.46Å; P297-M352 HydrophobicContact CG-CG 4.42Å; P297-R355 HydrophobicContact CG-CB 4.15Å; P297-R355 HydrophobicContact CG-CG 4.16Å
298Y81.3Confident84.1Confident174 Ų17453.6 Ų53.668%0.68226%0.26SS*.THydrogen-bonded Turntrans-63.5-5.3179.3-59.6-64.5000115.2V327Y298-V327 HydrophobicContact CD1-CG2 4.06Å; Y298-V327 WeakPolarHBondContact CD1-O 3.26Å; Y298-V327 VanDerWaalsContact O-CG2 3.26Å; Y298-V327 WeakPolarHBondContact O-CG2 3.41Å
299K79.5Confident84.9Confident185 Ų18552.5 Ų52.580%0.80425%0.249SC*.THydrogen-bonded Turntrans-110.81.8174.7-62-176.6180-179.90112.8P297P297-K299 PolarHBondContact O-N 3.25Å
300A80.4Confident85Confident10 Ų1054.8 Ų54.88%0.08327%0.267CS..  trans-69.7133.3-179.100000109.9L296 P297 M352L296-A300 HydrophobicContact CB-CB 4.47Å; P297-A300 HydrophobicContact CB-CB 4.22Å; P297-A300 HydrophobicContact CG-CB 4.38Å; P297-A300 VanDerWaalsContact O-CB 3.22Å; P297-A300 WeakPolarHBondContact O-CB 3.37Å; P297-A300 PolarHBondContact O-N 3.46Å; A300-M352 HydrophobicContact CB-SD 4.22Å
301T84.7Confident84.9Confident72 Ų7259.2 Ų59.244%0.44230%0.296SS..  trans-102.8166.8175.761.60000110.4N303 D304 I305T301-N303 PolarHBondContact O-N 2.86Å; T301-D304 PolarHBondContact N-OD2 2.69Å; T301-D304 WeakPolarHBondContact O-CB 3.28Å; T301-D304 PolarHBondContact O-N 2.72Å; T301-D304 PolarHBondContact OG1-OD2 2.95Å; T301-I305 PolarHBondContact O-N 2.83Å
302E84Confident84.7Confident101 Ų10160.7 Ų60.747%0.47230%0.304SS..Hα-helixtrans-54.8-36.3174.2-62.5172.3169.300111.5D304 I305 Y306 V317 I319E302-D304 VanDerWaalsContact C-N 3.31Å; E302-D304 PolarHBondContact O-N 3.11Å; E302-I305 WeakPolarHBondContact O-CA 3.3Å; E302-I305 WeakPolarHBondContact O-CB 3.17Å; E302-I305 PolarHBondContact O-N 2.69Å; E302-I305 VanDerWaalsContact O-N 3.09Å; E302-Y306 HydrophobicContact CB-CE2 4.2Å; E302-Y306 WeakPolarHBondContact O-CD2 3.28Å; E302-Y306 PolarHBondContact O-N 2.84Å; E302-V317 HydrophobicContact CB-CG1 4.38Å; E302-V317 HydrophobicContact CG-CG1 4.24Å; E302-I319 HydrophobicContact CG-CD1 3.92Å; E302-I319 HydrophobicContact CG-CG1 4.3Å
303N86.3Confident84.3Confident100 Ų10065.4 Ų65.454%0.53533%0.33SS..Hα-helixtrans-62.6-35.4176.6-167.973.1000113T301 I305 Y306 N307T301-N303 PolarHBondContact O-N 2.86Å; N303-I305 VanDerWaalsContact C-N 3.29Å; N303-Y306 PolarHBondContact O-N 2.8Å; N303-N307 PolarHBondContact ND2-ND2 3.39Å; N303-N307 VanDerWaalsContact O-CG 3.29Å; N303-N307 PolarHBondContact O-N 2.96Å; N303-N307 PolarHBondContact O-ND2 3.13Å; N303-N307 VanDerWaalsContact O-ND2 3.08Å
304D86.8Confident84Confident46 Ų4665.9 Ų65.925%0.24633%0.333CS..Hα-helixtrans-68.1-34175.2-59.9-52.1000111.3T301 E302 N307 F308 M352T301-D304 PolarHBondContact N-OD2 2.69Å; T301-D304 WeakPolarHBondContact O-CB 3.28Å; T301-D304 PolarHBondContact O-N 2.72Å; T301-D304 PolarHBondContact OG1-OD2 2.95Å; E302-D304 VanDerWaalsContact C-N 3.31Å; E302-D304 PolarHBondContact O-N 3.11Å; D304-N307 PolarHBondContact O-N 3.04Å; D304-F308 WeakPolarHBondContact O-CB 3.22Å; D304-F308 PolarHBondContact O-N 3.29Å; D304-M352 HydrophobicContact CB-SD 4.39Å
305I86.1Confident83.7Confident0 Ų064.2 Ų64.20%034%0.335CS..Hα-helixtrans-68.4-43.8174.8-61.3171.1000110.5M293 L296 T301 E302 N303 N307 F308 F309 V317 I319 A331 V333M293-I305 HydrophobicContact CE-CG2 4.17Å; M293-I305 HydrophobicContact SD-CG1 4.47Å; M293-I305 HydrophobicContact SD-CG2 3.62Å; L296-I305 HydrophobicContact CD1-CD1 3.77Å; L296-I305 HydrophobicContact CD1-CG1 4.38Å; L296-I305 HydrophobicContact CD2-CD1 4.34Å; L296-I305 HydrophobicContact CD2-CG1 4.05Å; T301-I305 PolarHBondContact O-N 2.83Å; E302-I305 WeakPolarHBondContact O-CA 3.3Å; E302-I305 WeakPolarHBondContact O-CB 3.17Å; E302-I305 PolarHBondContact O-N 2.69Å; E302-I305 VanDerWaalsContact O-N 3.09Å; N303-I305 VanDerWaalsContact C-N 3.29Å; I305-N307 VanDerWaalsContact C-N 3.35Å; I305-N307 PolarHBondContact O-N 2.76Å; I305-F308 WeakPolarHBondContact O-CB 3.42Å; I305-F308 PolarHBondContact O-N 2.97Å; I305-F309 HydrophobicContact CG2-CD2 3.8Å; I305-F309 HydrophobicContact CG2-CE2 3.71Å; I305-F309 VanDerWaalsContact O-CD2 3.25Å; I305-F309 WeakPolarHBondContact O-CD2 3.03Å; I305-F309 PolarHBondContact O-N 3.23Å; I305-V317 HydrophobicContact CB-CG1 4.11Å; I305-V317 HydrophobicContact CD1-CG1 3.6Å; I305-V317 HydrophobicContact CG1-CG1 4.46Å; I305-V317 HydrophobicContact CG2-CG1 3.87Å; I305-V317 HydrophobicContact CG2-CG2 4.07Å; I305-I319 HydrophobicContact CD1-CD1 3.77Å; I305-I319 HydrophobicContact CD1-CG1 3.69Å; I305-A331 HydrophobicContact CD1-CB 4.1Å; I305-V333 HydrophobicContact CG2-CG2 3.81Å
306Y86.6Confident83.5Confident80 Ų8068.4 Ų68.431%0.31435%0.347SS..Hα-helixtrans-59.3-44.5173-72.6-69.5000112E302 N303 F308 F309 S310 P314 V317E302-Y306 HydrophobicContact CB-CE2 4.2Å; E302-Y306 WeakPolarHBondContact O-CD2 3.28Å; E302-Y306 PolarHBondContact O-N 2.84Å; N303-Y306 PolarHBondContact O-N 2.8Å; Y306-F308 VanDerWaalsContact C-N 3.33Å; Y306-F308 PolarHBondContact O-N 2.68Å; Y306-F309 PolarHBondContact O-N 2.68Å; Y306-S310 PolarHBondContact O-N 3.22Å; Y306-P314 HydrophobicContact CD1-CB 4.35Å; Y306-P314 HydrophobicContact CD1-CG 4.12Å; Y306-P314 HydrophobicContact CE1-CB 3.93Å; Y306-P314 HydrophobicContact CE1-CG 4.21Å; Y306-V317 HydrophobicContact CD1-CG2 4.46Å; Y306-V317 HydrophobicContact CE1-CG2 3.88Å; Y306-V317 HydrophobicContact CE2-CB 4.46Å; Y306-V317 HydrophobicContact CE2-CG2 4.03Å
307N86.3Confident83.4Confident99 Ų9968.6 Ų68.653%0.52935%0.348SS..Hα-helixtrans-63.9-38.6176.2-72.4-36.7000112.2N303 D304 I305 F309 S310N303-N307 PolarHBondContact ND2-ND2 3.39Å; N303-N307 VanDerWaalsContact O-CG 3.29Å; N303-N307 PolarHBondContact O-N 2.96Å; N303-N307 PolarHBondContact O-ND2 3.13Å; N303-N307 VanDerWaalsContact O-ND2 3.08Å; D304-N307 PolarHBondContact O-N 3.04Å; I305-N307 VanDerWaalsContact C-N 3.35Å; I305-N307 PolarHBondContact O-N 2.76Å; N307-F309 VanDerWaalsContact C-N 3.32Å; N307-F309 PolarHBondContact O-N 2.92Å; N307-S310 VanDerWaalsContact O-CB 3.25Å; N307-S310 WeakPolarHBondContact O-CB 3.48Å; N307-S310 PolarHBondContact O-N 3.23Å
308F85.6Confident83.4Confident26 Ų2672.9 Ų72.911%0.11437%0.368CS..Hα-helixtrans-63.1-38.8177.1179.2-98.4000112M293 D304 I305 Y306 K347 A350 M352 I357 L359M293-F308 HydrophobicContact CE-CD1 3.96Å; M293-F308 HydrophobicContact CE-CE1 4.1Å; D304-F308 WeakPolarHBondContact O-CB 3.22Å; D304-F308 PolarHBondContact O-N 3.29Å; I305-F308 WeakPolarHBondContact O-CB 3.42Å; I305-F308 PolarHBondContact O-N 2.97Å; Y306-F308 VanDerWaalsContact C-N 3.33Å; Y306-F308 PolarHBondContact O-N 2.68Å; F308-K347 HydrophobicContact CE1-CB 4.2Å; F308-K347 HydrophobicContact CZ-CB 4.21Å; F308-K347 VanDerWaalsContact O-CD 3.3Å; F308-K347 WeakPolarHBondContact O-CD 3.46Å; F308-K347 PolarHBondContact O-NZ 2.88Å; F308-A350 HydrophobicContact CE2-CB 3.72Å; F308-A350 HydrophobicContact CZ-CB 3.8Å; F308-M352 HydrophobicContact CB-CE 3.42Å; F308-M352 VanDerWaalsContact CB-CE 3.42Å; F308-M352 HydrophobicContact CD1-CE 4.02Å; F308-M352 HydrophobicContact CD2-CB 4.25Å; F308-M352 HydrophobicContact CD2-CE 3.62Å; F308-M352 HydrophobicContact CE2-CB 4.43Å; F308-M352 HydrophobicContact CE2-CE 4.33Å; F308-M352 HydrophobicContact CG-CE 3.42Å; F308-M352 VanDerWaalsContact CG-CE 3.42Å; F308-I357 HydrophobicContact CE1-CG2 4.36Å; F308-I357 HydrophobicContact CE2-CB 4.42Å; F308-I357 HydrophobicContact CE2-CG1 4.19Å; F308-I357 HydrophobicContact CZ-CB 3.96Å; F308-I357 HydrophobicContact CZ-CG1 4.2Å; F308-I357 HydrophobicContact CZ-CG2 4.25Å; F308-L359 HydrophobicContact CE1-CD1 4.29Å; F308-L359 HydrophobicContact CE1-CD2 4.45Å
309F85.3Confident83.6Confident0 Ų065.6 Ų65.60%034%0.341CS..Hα-helixtrans-83-14177.7-72.2-63.7000114.8M293 I305 Y306 N307 L312 P314 V333 F335 A344 K347 L359M293-F309 HydrophobicContact CE-CE2 3.51Å; M293-F309 HydrophobicContact CE-CZ 3.63Å; M293-F309 HydrophobicContact CG-CE2 4.36Å; M293-F309 HydrophobicContact CG-CZ 4.18Å; M293-F309 HydrophobicContact SD-CE2 3.41Å; M293-F309 WeakPolarHBondContact SD-CE2 3.33Å; M293-F309 HydrophobicContact SD-CZ 3.77Å; I305-F309 HydrophobicContact CG2-CD2 3.8Å; I305-F309 HydrophobicContact CG2-CE2 3.71Å; I305-F309 VanDerWaalsContact O-CD2 3.25Å; I305-F309 WeakPolarHBondContact O-CD2 3.03Å; I305-F309 PolarHBondContact O-N 3.23Å; Y306-F309 PolarHBondContact O-N 2.68Å; N307-F309 VanDerWaalsContact C-N 3.32Å; N307-F309 PolarHBondContact O-N 2.92Å; F309-L312 HydrophobicContact CB-CB 4.29Å; F309-L312 VanDerWaalsContact O-CB 3.28Å; F309-L312 WeakPolarHBondContact O-CB 3.18Å; F309-L312 PolarHBondContact O-N 2.86Å; F309-P314 HydrophobicContact CB-CG 4.21Å; F309-P314 HydrophobicContact CD2-CG 4.17Å; F309-P314 HydrophobicContact CG-CG 4.45Å; F309-V333 HydrophobicContact CD2-CG1 4.28Å; F309-V333 HydrophobicContact CE2-CB 4.33Å; F309-V333 HydrophobicContact CE2-CG1 4.06Å; F309-V333 HydrophobicContact CE2-CG2 3.99Å; F309-F335 HydrophobicContact CD1-CZ 4.04Å; F309-F335 HydrophobicContact CD2-CZ 4.4Å; F309-F335 HydrophobicContact CE1-CZ 4.27Å; F309-F335 HydrophobicContact CG-CZ 4.12Å; F309-A344 HydrophobicContact CD1-CB 3.83Å; F309-A344 HydrophobicContact CE1-CB 3.73Å; F309-K347 PolarHBondContact O-NZ 3.06Å; F309-L359 HydrophobicContact CE1-CD1 3.79Å; F309-L359 HydrophobicContact CE1-CD2 4.27Å; F309-L359 HydrophobicContact CZ-CD1 4.17Å; F309-L359 HydrophobicContact CZ-CD2 3.78Å
310S80.8Confident83.6Confident72 Ų7259.8 Ų59.850%0.50332%0.316SS..THydrogen-bonded Turntrans-45.5124.9176.2-170.20000113.2Y306 N307 K347Y306-S310 PolarHBondContact O-N 3.22Å; N307-S310 VanDerWaalsContact O-CB 3.25Å; N307-S310 WeakPolarHBondContact O-CB 3.48Å; N307-S310 PolarHBondContact O-N 3.23Å; S310-K347 PolarHBondContact O-NZ 3.35Å
311P80.8Confident83.7Confident114 Ų11464.4 Ų64.474%0.7434%0.338SS*.THydrogen-bonded Turncis-89.55.415.736.4-37.9000116.1
312L84.6Confident83.4Confident32 Ų3261.6 Ų61.617%0.16832%0.323CS..SBendtrans-72.6140.4178-55.3170.6000110F309 P314 F335 E340 A343 A344F309-L312 HydrophobicContact CB-CB 4.29Å; F309-L312 VanDerWaalsContact O-CB 3.28Å; F309-L312 WeakPolarHBondContact O-CB 3.18Å; F309-L312 PolarHBondContact O-N 2.86Å; L312-P314 VanDerWaalsContact O-CD 3.23Å; L312-P314 WeakPolarHBondContact O-CD 3.27Å; L312-F335 HydrophobicContact CB-CE1 4.12Å; L312-E340 HydrophobicContact CD2-CG 4.4Å; L312-A343 HydrophobicContact CD1-CB 4.02Å; L312-A343 HydrophobicContact CD2-CB 4.02Å; L312-A344 HydrophobicContact CD1-CB 3.79Å
313N78.8Confident82.8Confident126 Ų12663.9 Ų63.967%0.67435%0.347SS*.  trans-11194.5-179.9-69.7-28.6000110.3
314P84.4Confident82.2Confident10 Ų1064.1 Ų64.17%0.06535%0.348CS..  trans-54.2141.2168.6-24.631.1000112.5Y306 F309 L312 V317 V333 E334 F335Y306-P314 HydrophobicContact CD1-CB 4.35Å; Y306-P314 HydrophobicContact CD1-CG 4.12Å; Y306-P314 HydrophobicContact CE1-CB 3.93Å; Y306-P314 HydrophobicContact CE1-CG 4.21Å; F309-P314 HydrophobicContact CB-CG 4.21Å; F309-P314 HydrophobicContact CD2-CG 4.17Å; F309-P314 HydrophobicContact CG-CG 4.45Å; L312-P314 VanDerWaalsContact O-CD 3.23Å; L312-P314 WeakPolarHBondContact O-CD 3.27Å; P314-V317 HydrophobicContact CB-CG2 3.95Å; P314-V317 HydrophobicContact CG-CG2 4.39Å; P314-V333 HydrophobicContact CB-CG1 3.47Å; P314-V333 VanDerWaalsContact CB-CG1 3.47Å; P314-V333 HydrophobicContact CG-CG1 3.56Å; P314-E334 CarbonylContact C-O 3.55Å; P314-E334 WeakPolarHBondContact CA-O 3.39Å; P314-F335 HydrophobicContact CB-CE1 4.31Å; P314-F335 HydrophobicContact CG-CE1 3.79Å; P314-F335 HydrophobicContact CG-CZ 4.1Å
315V81.4Confident81.6Confident77 Ų7764.7 Ų64.747%0.46737%0.365SS..SBendtrans-78.5-35.4175.5177.90000110.6E334 A336V315-E334 PolarHBondContact N-O 2.79Å; V315-A336 HydrophobicContact CG2-CB 3.64Å
316R79.1Confident81Confident100 Ų10073.5 Ų73.538%0.37740%0.398SS..EExtended strand (participates in β ladder)trans-148.8138.1179.9-162.8-179.3-58.5-179.19.3109.6T286 V333 E334T286-R316 PolarHBondContact OG1-NH2 2.95Å; R316-V333 CarbonylContact O-C 3.14Å; R316-V333 WeakPolarHBondContact O-CA 3.39Å; R316-E334 HydrophobicContact CB-CB 3.95Å; R316-E334 IonicContact CZ-OE2 3.8Å; R316-E334 PolarHBondContact N-O 3.5Å; R316-E334 IonicContact NE-OE2 3.59Å; R316-E334 PolarHBondContact O-N 2.92Å
317V84.6Confident80.7Confident10 Ų1071.5 Ų71.56%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-122.2127.9171.2176.40000106.6E302 I305 Y306 P314 I319 V333E302-V317 HydrophobicContact CB-CG1 4.38Å; E302-V317 HydrophobicContact CG-CG1 4.24Å; I305-V317 HydrophobicContact CB-CG1 4.11Å; I305-V317 HydrophobicContact CD1-CG1 3.6Å; I305-V317 HydrophobicContact CG1-CG1 4.46Å; I305-V317 HydrophobicContact CG2-CG1 3.87Å; I305-V317 HydrophobicContact CG2-CG2 4.07Å; Y306-V317 HydrophobicContact CD1-CG2 4.46Å; Y306-V317 HydrophobicContact CE1-CG2 3.88Å; Y306-V317 HydrophobicContact CE2-CB 4.46Å; Y306-V317 HydrophobicContact CE2-CG2 4.03Å; P314-V317 HydrophobicContact CB-CG2 3.95Å; P314-V317 HydrophobicContact CG-CG2 4.39Å; V317-I319 HydrophobicContact CG1-CG1 4.47Å; V317-V333 HydrophobicContact CG1-CG2 4.23Å; V317-V333 HydrophobicContact CG2-CG1 4.17Å; V317-V333 HydrophobicContact CG2-CG2 4.21Å
318H83Confident80.4Confident96 Ų9669.6 Ų69.644%0.44439%0.386SS..EExtended strand (participates in β ladder)trans-125.7111.8175.9-176.363.6000109.1A331 D332H318-A331 CarbonylContact O-C 3.58Å; H318-A331 WeakPolarHBondContact O-CA 3.1Å; H318-A331 WeakPolarHBondContact O-CB 3.18Å; H318-D332 PolarHBondContact N-O 2.9Å; H318-D332 PolarHBondContact O-N 2.88Å
319I86Confident80.2Confident22 Ų2268.6 Ų68.611%0.11338%0.383CS..EExtended strand (participates in β ladder)trans-86.8127.7174.9-57.3175.7000108.3E302 I305 V317 I321 V327 A331E302-I319 HydrophobicContact CG-CD1 3.92Å; E302-I319 HydrophobicContact CG-CG1 4.3Å; I305-I319 HydrophobicContact CD1-CD1 3.77Å; I305-I319 HydrophobicContact CD1-CG1 3.69Å; V317-I319 HydrophobicContact CG1-CG1 4.47Å; I319-I321 PolarHBondContact O-N 3.29Å; I319-V327 HydrophobicContact CG2-CB 4.29Å; I319-V327 HydrophobicContact CG2-CG1 4.14Å; I319-A331 HydrophobicContact CB-CB 4.42Å; I319-A331 HydrophobicContact CG1-CB 4.11Å
320E80.6Confident80.3Confident62 Ų6270.8 Ų70.829%0.2939%0.393SS..EExtended strand (participates in β ladder)trans-72.8127.8175.7-68.1-170.6-171.700110.7H292 T328 E330H292-E320 IonicContact CE1-OE1 2.79Å; E320-T328 WeakPolarHBondContact CB-OG1 3.39Å; E320-T328 PolarHBondContact O-N 2.86Å; E320-T328 VanDerWaalsContact O-N 3.07Å; E320-T328 PolarHBondContact O-OG1 3.47Å; E320-E330 HydrophobicContact CB-CB 4.37Å; E320-E330 PolarHBondContact N-O 3.3Å
321I81.3Confident80.7Confident108 Ų10867.3 Ų67.355%0.55437%0.369SS*.EExtended strand (participates in β ladder)trans-116.4123.4177.8-54.5178.6000107.3I319 V327I319-I321 PolarHBondContact O-N 3.29Å; I321-V327 HydrophobicContact CG1-CG1 4.35Å
322G79.1Confident81Confident12 Ų1264.2 Ų64.212%0.12435%0.347CS..  trans-63165178.700000112.4D324 G325 R326G322-D324 PolarHBondContact O-N 3.18Å; G322-G325 PolarHBondContact O-N 3.39Å; G322-R326 PolarHBondContact N-O 3.34Å
323P71.4Confident81.2Confident150 Ų15062.7 Ų62.797%0.97434%0.339SS*.THydrogen-bonded Turntrans-63.7-12.5-18026.8-34.9000113.6G325P323-G325 VanDerWaalsContact C-N 3.34Å
324D74.2Confident81.5Confident104 Ų10457.3 Ų57.356%0.55631%0.309SS*.THydrogen-bonded Turntrans-88.92.5172.765.9-23.2000113.4G322 R326G322-D324 PolarHBondContact O-N 3.18Å; D324-R326 VanDerWaalsContact C-N 3.27Å; D324-R326 PolarHBondContact O-N 3.42Å; D324-R326 PolarHBondContact OD1-N 3.24Å; D324-R326 WeakPolarHBondContact OD2-CD 3.3Å; D324-R326 VanDerWaalsContact OD2-CG 3.28Å; D324-R326 WeakPolarHBondContact OD2-CG 3.31Å; D324-R326 IonicContact OD2-NE 3.82Å
325G73.1Confident81.6Confident58 Ų5856.8 Ų56.860%0.59831%0.306SS*.SBendtrans76.110.1-178.200000113.9G322 P323G322-G325 PolarHBondContact O-N 3.39Å; P323-G325 VanDerWaalsContact C-N 3.34Å
326R74.2Confident81.7Confident186 Ų18655.5 Ų55.570%0.70230%0.304SS*.  trans-94.2140.6177.3-62.8-171.8-177.9-173.3-1.4110.5G322 D324 T328G322-R326 PolarHBondContact N-O 3.34Å; D324-R326 VanDerWaalsContact C-N 3.27Å; D324-R326 PolarHBondContact O-N 3.42Å; D324-R326 PolarHBondContact OD1-N 3.24Å; D324-R326 WeakPolarHBondContact OD2-CD 3.3Å; D324-R326 VanDerWaalsContact OD2-CG 3.28Å; D324-R326 WeakPolarHBondContact OD2-CG 3.31Å; D324-R326 IonicContact OD2-NE 3.82Å; R326-T328 PolarHBondContact O-N 2.8Å
327V80.4Confident81.8Confident38 Ų3853.5 Ų53.523%0.2330%0.303CS..EExtended strand (participates in β ladder)trans-64.3127.4172.7-59.90000109Y298 I319 I321 G329Y298-V327 HydrophobicContact CD1-CG2 4.06Å; Y298-V327 WeakPolarHBondContact CD1-O 3.26Å; Y298-V327 VanDerWaalsContact O-CG2 3.26Å; Y298-V327 WeakPolarHBondContact O-CG2 3.41Å; I319-V327 HydrophobicContact CG2-CB 4.29Å; I319-V327 HydrophobicContact CG2-CG1 4.14Å; I321-V327 HydrophobicContact CG1-CG1 4.35Å; V327-G329 PolarHBondContact O-N 3.47Å
328T79.8Confident81.7Confident58 Ų5855.6 Ų55.636%0.35631%0.312SS..EExtended strand (participates in β ladder)trans-75.8-13.1-17756.80000112E320 R326 E330E320-T328 WeakPolarHBondContact CB-OG1 3.39Å; E320-T328 PolarHBondContact O-N 2.86Å; E320-T328 VanDerWaalsContact O-N 3.07Å; E320-T328 PolarHBondContact O-OG1 3.47Å; R326-T328 PolarHBondContact O-N 2.8Å; T328-E330 VanDerWaalsContact C-N 3.31Å; T328-E330 PolarHBondContact OG1-N 2.83Å
329G82.1Confident81.9Confident5 Ų558.6 Ų58.65%0.05233%0.326CS..EExtended strand (participates in β ladder)trans83.113-172.200000112.5R294 G295 L296 V327R294-G329 CarbonylContact C-O 3.53Å; G295-G329 PolarHBondContact N-O 3.34Å; L296-G329 PolarHBondContact N-O 2.79Å; V327-G329 PolarHBondContact O-N 3.47Å
330E87.5Confident81.9Confident46 Ų4660.2 Ų60.222%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-114.5143.2176.6-54.6-172.3161.100109.1M293 R294 E320 T328M293-E330 CarbonylContact O-C 3.57Å; M293-E330 VanDerWaalsContact O-CA 3.26Å; M293-E330 WeakPolarHBondContact O-CA 3.3Å; R294-E330 HydrophobicContact CG-CG 4.18Å; R294-E330 IonicContact CZ-OE1 3.98Å; R294-E330 IonicContact NE-OE1 3.8Å; R294-E330 PolarHBondContact NE-OE1 3.07Å; R294-E330 IonicContact NH2-OE1 3.94Å; R294-E330 PolarHBondContact NH2-OE1 2.77Å; E320-E330 HydrophobicContact CB-CB 4.37Å; E320-E330 PolarHBondContact N-O 3.3Å; T328-E330 VanDerWaalsContact C-N 3.31Å; T328-E330 PolarHBondContact OG1-N 2.83Å
331A87.8Confident82.1Confident0 Ų057.3 Ų57.30%032%0.319CS..EExtended strand (participates in β ladder)trans-151.8144.4177.100000111.2M293 L296 I305 H318 I319M293-A331 WeakPolarHBondContact CA-O 3.23Å; M293-A331 HydrophobicContact CB-CB 4.43Å; M293-A331 WeakPolarHBondContact CB-O 3.01Å; M293-A331 PolarHBondContact N-O 2.71Å; M293-A331 PolarHBondContact O-N 3.15Å; L296-A331 HydrophobicContact CD1-CB 3.36Å; I305-A331 HydrophobicContact CD1-CB 4.1Å; H318-A331 CarbonylContact O-C 3.58Å; H318-A331 WeakPolarHBondContact O-CA 3.1Å; H318-A331 WeakPolarHBondContact O-CB 3.18Å; I319-A331 HydrophobicContact CB-CB 4.42Å; I319-A331 HydrophobicContact CG1-CB 4.11Å
332D87.5Confident82.3Confident49 Ų4955.2 Ų55.226%0.26231%0.312SS..EExtended strand (participates in β ladder)trans-100.9132.1171.3-70.4-43.9000110.7H292 H318H292-D332 WeakPolarHBondContact CB-OD1 3.25Å; H292-D332 IonicContact CE1-OD1 2.75Å; H292-D332 IonicContact CG-OD1 3.66Å; H292-D332 IonicContact ND1-OD1 3.47Å; H292-D332 PolarHBondContact ND1-OD1 2.89Å; H318-D332 PolarHBondContact N-O 2.9Å; H318-D332 PolarHBondContact O-N 2.88Å
333V88.1Confident82.6Confident0 Ų056.7 Ų56.70%032%0.322CS..EExtended strand (participates in β ladder)trans-122116.2-179.3-177.90000109.5C290 V291 M293 I305 F309 P314 R316 V317 F335C290-V333 CarbonylContact C-O 3.54Å; C290-V333 WeakPolarHBondContact CA-O 3.28Å; V291-V333 PolarHBondContact N-O 3.07Å; V291-V333 PolarHBondContact O-N 3.03Å; M293-V333 HydrophobicContact CG-CG2 3.9Å; M293-V333 HydrophobicContact SD-CB 4.49Å; M293-V333 HydrophobicContact SD-CG2 3.35Å; M293-V333 WeakPolarHBondContact SD-CG2 3.38Å; I305-V333 HydrophobicContact CG2-CG2 3.81Å; F309-V333 HydrophobicContact CD2-CG1 4.28Å; F309-V333 HydrophobicContact CE2-CB 4.33Å; F309-V333 HydrophobicContact CE2-CG1 4.06Å; F309-V333 HydrophobicContact CE2-CG2 3.99Å; P314-V333 HydrophobicContact CB-CG1 3.47Å; P314-V333 VanDerWaalsContact CB-CG1 3.47Å; P314-V333 HydrophobicContact CG-CG1 3.56Å; R316-V333 CarbonylContact O-C 3.14Å; R316-V333 WeakPolarHBondContact O-CA 3.39Å; V317-V333 HydrophobicContact CG1-CG2 4.23Å; V317-V333 HydrophobicContact CG2-CG1 4.17Å; V317-V333 HydrophobicContact CG2-CG2 4.21Å; V333-F335 HydrophobicContact CB-CE2 4.24Å; V333-F335 HydrophobicContact CG1-CD2 4.36Å; V333-F335 HydrophobicContact CG1-CE1 4.44Å; V333-F335 HydrophobicContact CG1-CE2 3.64Å; V333-F335 HydrophobicContact CG1-CZ 3.69Å
334E85.7Confident83.3Confident12 Ų1249.5 Ų49.56%0.05628%0.276CS..EExtended strand (participates in β ladder)trans-93.1132.3178.8-167.9178.3176.900110.5T286 T287 P314 V315 R316T286-E334 PolarHBondContact N-OE1 3.04Å; T286-E334 PolarHBondContact OG1-OE1 2.78Å; T287-E334 WeakPolarHBondContact CB-OE1 3.41Å; T287-E334 PolarHBondContact N-OE1 2.81Å; T287-E334 WeakPolarHBondContact OG1-CG 3.27Å; T287-E334 PolarHBondContact OG1-OE1 2.89Å; P314-E334 CarbonylContact C-O 3.55Å; P314-E334 WeakPolarHBondContact CA-O 3.39Å; V315-E334 PolarHBondContact N-O 2.79Å; R316-E334 HydrophobicContact CB-CB 3.95Å; R316-E334 IonicContact CZ-OE2 3.8Å; R316-E334 PolarHBondContact N-O 3.5Å; R316-E334 IonicContact NE-OE2 3.59Å; R316-E334 PolarHBondContact O-N 2.92Å
335F85.8Confident83.8Confident0 Ų047 Ų470%026%0.261CS..  trans-111.2153.8176.7-68.5-84.4000110.9T287 H289 V291 F309 L312 P314 V333 T337 E340 A341 A344T287-F335 WeakPolarHBondContact CB-O 3.41Å; T287-F335 PolarHBondContact OG1-O 2.88Å; H289-F335 PolarHBondContact O-N 3.03Å; V291-F335 HydrophobicContact CB-CD2 4.42Å; V291-F335 HydrophobicContact CB-CE2 3.88Å; V291-F335 HydrophobicContact CG2-CD2 3.8Å; V291-F335 HydrophobicContact CG2-CE2 3.54Å; F309-F335 HydrophobicContact CD1-CZ 4.04Å; F309-F335 HydrophobicContact CD2-CZ 4.4Å; F309-F335 HydrophobicContact CE1-CZ 4.27Å; F309-F335 HydrophobicContact CG-CZ 4.12Å; L312-F335 HydrophobicContact CB-CE1 4.12Å; P314-F335 HydrophobicContact CB-CE1 4.31Å; P314-F335 HydrophobicContact CG-CE1 3.79Å; P314-F335 HydrophobicContact CG-CZ 4.1Å; V333-F335 HydrophobicContact CB-CE2 4.24Å; V333-F335 HydrophobicContact CG1-CD2 4.36Å; V333-F335 HydrophobicContact CG1-CE1 4.44Å; V333-F335 HydrophobicContact CG1-CE2 3.64Å; V333-F335 HydrophobicContact CG1-CZ 3.69Å; F335-T337 VanDerWaalsContact C-N 3.29Å; F335-T337 PolarHBondContact O-N 3.47Å; F335-E340 HydrophobicContact CB-CB 4.08Å; F335-E340 HydrophobicContact CD1-CB 3.94Å; F335-E340 HydrophobicContact CG-CB 4.26Å; F335-A341 HydrophobicContact CB-CB 4.22Å; F335-A341 HydrophobicContact CD2-CB 3.96Å; F335-A341 HydrophobicContact CG-CB 4.3Å; F335-A344 HydrophobicContact CE1-CB 4.19Å; F335-A344 HydrophobicContact CE2-CB 3.81Å; F335-A344 HydrophobicContact CZ-CB 3.51Å
336A83.4Confident84.4Confident50 Ų5049.3 Ų49.341%0.41327%0.268SS..SBendtrans-69-32.6-179.400000111.8V315 E340V315-A336 HydrophobicContact CG2-CB 3.64Å; A336-E340 PolarHBondContact N-OE2 2.92Å
337T83.1Confident84.7Confident58 Ų5843.1 Ų43.136%0.35625%0.247SC..SBendtrans-131.1152.7-175.663.30000112.1H289 F335 E339 E340 A341H289-T337 VanDerWaalsContact CD2-C 3.41Å; F335-T337 VanDerWaalsContact C-N 3.29Å; F335-T337 PolarHBondContact O-N 3.47Å; T337-E339 PolarHBondContact O-N 3.46Å; T337-E340 PolarHBondContact N-OE2 3.21Å; T337-E340 PolarHBondContact O-N 2.77Å; T337-E340 WeakPolarHBondContact OG1-CB 3.37Å; T337-E340 WeakPolarHBondContact OG1-CG 3.17Å; T337-E340 PolarHBondContact OG1-N 3.4Å; T337-E340 PolarHBondContact OG1-OE2 3.23Å; T337-A341 PolarHBondContact O-N 2.87Å
338H82.7Confident85Confident54 Ų5444.4 Ų44.425%0.2525%0.252CS..Hα-helixtrans-59.2-37.2171.8178.662.7000111.7H289 E340 A341 V342 S363 T365H289-H338 PolarHBondContact CD2-N 3.47Å; H289-H338 PolarHBondContact NE2-N 3.26Å; H338-E340 VanDerWaalsContact C-N 3.35Å; H338-E340 PolarHBondContact O-N 3.5Å; H338-A341 PolarHBondContact O-N 2.75Å; H338-V342 VanDerWaalsContact CE1-CG2 3.48Å; H338-V342 WeakPolarHBondContact CE1-CG2 3.38Å; H338-V342 WeakPolarHBondContact NE2-CG2 3.47Å; H338-V342 WeakPolarHBondContact O-CG2 3.35Å; H338-V342 PolarHBondContact O-N 2.8Å; H338-S363 PolarHBondContact CE1-OG 3.36Å; H338-S363 WeakPolarHBondContact ND1-CB 3.48Å; H338-S363 PolarHBondContact ND1-OG 3.05Å; H338-T365 VanDerWaalsContact CE1-CG2 3.48Å; H338-T365 WeakPolarHBondContact CE1-CG2 3.44Å; H338-T365 WeakPolarHBondContact NE2-CG2 3.41Å
339E85.4Confident85.2Confident159 Ų15950.2 Ų50.274%0.74327%0.268SS*.Hα-helixtrans-61.2-42.6-179.7-63.7179.9-177.100111.7T337 V342 A343T337-E339 PolarHBondContact O-N 3.46Å; E339-V342 PolarHBondContact O-N 3.37Å; E339-A343 WeakPolarHBondContact O-CB 3.47Å; E339-A343 PolarHBondContact O-N 2.75Å
340E85.8Confident85.3Confident56 Ų5651.7 Ų51.726%0.26228%0.279SS..Hα-helixtrans-66.3-39.5174.8-72.9169.2145.800112.3L312 F335 A336 T337 H338 V342 A343 A344L312-E340 HydrophobicContact CD2-CG 4.4Å; F335-E340 HydrophobicContact CB-CB 4.08Å; F335-E340 HydrophobicContact CD1-CB 3.94Å; F335-E340 HydrophobicContact CG-CB 4.26Å; A336-E340 PolarHBondContact N-OE2 2.92Å; T337-E340 PolarHBondContact N-OE2 3.21Å; T337-E340 PolarHBondContact O-N 2.77Å; T337-E340 WeakPolarHBondContact OG1-CB 3.37Å; T337-E340 WeakPolarHBondContact OG1-CG 3.17Å; T337-E340 PolarHBondContact OG1-N 3.4Å; T337-E340 PolarHBondContact OG1-OE2 3.23Å; H338-E340 VanDerWaalsContact C-N 3.35Å; H338-E340 PolarHBondContact O-N 3.5Å; E340-V342 VanDerWaalsContact C-N 3.34Å; E340-V342 PolarHBondContact O-N 2.85Å; E340-A343 PolarHBondContact O-N 3.02Å; E340-A344 WeakPolarHBondContact O-CB 3.4Å; E340-A344 PolarHBondContact O-N 3.24Å
341A85.3Confident85.1Confident0 Ų055 Ų550%030%0.298CS..Hα-helixtrans-63.4-40.3175.900000111.6H289 V291 F335 T337 H338 A344 M345 L361H289-A341 HydrophobicContact CB-CB 4.45Å; V291-A341 HydrophobicContact CG2-CB 3.93Å; F335-A341 HydrophobicContact CB-CB 4.22Å; F335-A341 HydrophobicContact CD2-CB 3.96Å; F335-A341 HydrophobicContact CG-CB 4.3Å; T337-A341 PolarHBondContact O-N 2.87Å; H338-A341 PolarHBondContact O-N 2.75Å; A341-A344 WeakPolarHBondContact O-CB 3.43Å; A341-A344 PolarHBondContact O-N 3.38Å; A341-M345 WeakPolarHBondContact O-CG 3.21Å; A341-M345 PolarHBondContact O-N 3.45Å; A341-L361 HydrophobicContact CB-CD1 3.66Å
342V84.9Confident84.6Confident65 Ų6555.6 Ų55.639%0.39430%0.301SS..Hα-helixtrans-68.8-39.9174.3173.90000111.4H338 E339 E340 A344 M345 L361H338-V342 VanDerWaalsContact CE1-CG2 3.48Å; H338-V342 WeakPolarHBondContact CE1-CG2 3.38Å; H338-V342 WeakPolarHBondContact NE2-CG2 3.47Å; H338-V342 WeakPolarHBondContact O-CG2 3.35Å; H338-V342 PolarHBondContact O-N 2.8Å; E339-V342 PolarHBondContact O-N 3.37Å; E340-V342 VanDerWaalsContact C-N 3.34Å; E340-V342 PolarHBondContact O-N 2.85Å; V342-A344 VanDerWaalsContact C-N 3.25Å; V342-A344 PolarHBondContact O-N 2.81Å; V342-M345 WeakPolarHBondContact O-CB 3.32Å; V342-M345 PolarHBondContact O-N 2.82Å; V342-L361 HydrophobicContact CG2-CD2 3.97Å
343A85.8Confident84.2Confident42 Ų4259.2 Ų59.235%0.34732%0.316SS..Hα-helixtrans-61.2-37.717400000111.4L312 E339 E340 M345 S346L312-A343 HydrophobicContact CD1-CB 4.02Å; L312-A343 HydrophobicContact CD2-CB 4.02Å; E339-A343 WeakPolarHBondContact O-CB 3.47Å; E339-A343 PolarHBondContact O-N 2.75Å; E340-A343 PolarHBondContact O-N 3.02Å; A343-M345 VanDerWaalsContact C-N 3.3Å; A343-M345 PolarHBondContact O-N 3.38Å; A343-S346 VanDerWaalsContact O-CB 3.27Å; A343-S346 WeakPolarHBondContact O-CB 3.2Å; A343-S346 PolarHBondContact O-N 3.39Å; A343-S346 VanDerWaalsContact O-N 3.14Å; A343-S346 PolarHBondContact O-OG 2.96Å
344A86.6Confident83.8Confident0 Ų066.4 Ų66.40%035%0.35CS..Hα-helixtrans-62.1-36.5175.800000112.3V291 F309 L312 F335 E340 A341 V342 S346 K347 L359V291-A344 HydrophobicContact CG2-CB 4.45Å; F309-A344 HydrophobicContact CD1-CB 3.83Å; F309-A344 HydrophobicContact CE1-CB 3.73Å; L312-A344 HydrophobicContact CD1-CB 3.79Å; F335-A344 HydrophobicContact CE1-CB 4.19Å; F335-A344 HydrophobicContact CE2-CB 3.81Å; F335-A344 HydrophobicContact CZ-CB 3.51Å; E340-A344 WeakPolarHBondContact O-CB 3.4Å; E340-A344 PolarHBondContact O-N 3.24Å; A341-A344 WeakPolarHBondContact O-CB 3.43Å; A341-A344 PolarHBondContact O-N 3.38Å; V342-A344 VanDerWaalsContact C-N 3.25Å; V342-A344 PolarHBondContact O-N 2.81Å; A344-S346 PolarHBondContact O-N 3.24Å; A344-S346 VanDerWaalsContact O-N 3.14Å; A344-K347 WeakPolarHBondContact O-CB 3.46Å; A344-K347 PolarHBondContact O-N 3.47Å; A344-L359 WeakPolarHBondContact O-CD1 3.35Å
345M85.8Confident83.6Confident51 Ų5170.3 Ų70.325%0.25136%0.364SS..Hα-helixtrans-61.2-21.4175.8-64.9-60.6-64.200113.7V291 A341 V342 A343 K347 D348 L359 L361V291-M345 HydrophobicContact CG1-SD 4.08Å; A341-M345 WeakPolarHBondContact O-CG 3.21Å; A341-M345 PolarHBondContact O-N 3.45Å; V342-M345 WeakPolarHBondContact O-CB 3.32Å; V342-M345 PolarHBondContact O-N 2.82Å; A343-M345 VanDerWaalsContact C-N 3.3Å; A343-M345 PolarHBondContact O-N 3.38Å; M345-K347 PolarHBondContact O-N 2.7Å; M345-K347 VanDerWaalsContact O-N 3.14Å; M345-D348 VanDerWaalsContact O-CB 3.25Å; M345-D348 WeakPolarHBondContact O-CB 3.44Å; M345-D348 PolarHBondContact O-N 3.48Å; M345-L359 HydrophobicContact CE-CB 4.31Å; M345-L359 WeakPolarHBondContact CE-O 3.44Å; M345-L359 HydrophobicContact SD-CB 3.84Å; M345-L361 HydrophobicContact CE-CB 4.07Å; M345-L361 HydrophobicContact CG-CB 3.86Å; M345-L361 HydrophobicContact CG-CD1 4.03Å; M345-L361 HydrophobicContact CG-CD2 4.41Å; M345-L361 HydrophobicContact CG-CG 4.33Å; M345-L361 HydrophobicContact SD-CB 3.68Å; M345-L361 HydrophobicContact SD-CD1 4.48Å; M345-L361 PolarHBondContact SD-N 3.11Å
346S84Confident83.6Confident107 Ų10776.3 Ų76.375%0.74839%0.388SS*.THydrogen-bonded Turntrans-65.2-14.5174-57.50000112.8A343 A344A343-S346 VanDerWaalsContact O-CB 3.27Å; A343-S346 WeakPolarHBondContact O-CB 3.2Å; A343-S346 PolarHBondContact O-N 3.39Å; A343-S346 VanDerWaalsContact O-N 3.14Å; A343-S346 PolarHBondContact O-OG 2.96Å; A344-S346 PolarHBondContact O-N 3.24Å; A344-S346 VanDerWaalsContact O-N 3.14Å
347K81.8Confident83.9Confident56 Ų5674 Ų7424%0.24337%0.368CS..THydrogen-bonded Turntrans-96.89.9174.2-64-176.4172177.60113.3F308 F309 S310 A344 M345 R349 A350 L359F308-K347 HydrophobicContact CE1-CB 4.2Å; F308-K347 HydrophobicContact CZ-CB 4.21Å; F308-K347 VanDerWaalsContact O-CD 3.3Å; F308-K347 WeakPolarHBondContact O-CD 3.46Å; F308-K347 PolarHBondContact O-NZ 2.88Å; F309-K347 PolarHBondContact O-NZ 3.06Å; S310-K347 PolarHBondContact O-NZ 3.35Å; A344-K347 WeakPolarHBondContact O-CB 3.46Å; A344-K347 PolarHBondContact O-N 3.47Å; M345-K347 PolarHBondContact O-N 2.7Å; M345-K347 VanDerWaalsContact O-N 3.14Å; K347-R349 PolarHBondContact O-N 2.9Å; K347-A350 HydrophobicContact CB-CB 4.45Å; K347-A350 WeakPolarHBondContact O-CB 3.48Å; K347-A350 PolarHBondContact O-N 2.85Å; K347-A350 VanDerWaalsContact O-N 3.08Å; K347-L359 HydrophobicContact CB-CD1 4.23Å
348D86.6Confident84.1Confident64 Ų6474.4 Ų74.434%0.34237%0.366SS..THydrogen-bonded Turntrans-56.7138172.7-178.949.1000110.5M345 A350 E358 L359M345-D348 VanDerWaalsContact O-CB 3.25Å; M345-D348 WeakPolarHBondContact O-CB 3.44Å; M345-D348 PolarHBondContact O-N 3.48Å; D348-A350 PolarHBondContact O-N 3.47Å; D348-E358 WeakPolarHBondContact OD1-CA 3.38Å; D348-L359 HydrophobicContact CB-CB 4.28Å; D348-L359 PolarHBondContact OD1-N 2.79Å
349R83.6Confident84.4Confident181 Ų18172.1 Ų72.168%0.68336%0.355SS*.THydrogen-bonded Turntrans62.213.6-173.9-59.4173.9171.2175.5-2.4115.4K347 I357K347-R349 PolarHBondContact O-N 2.9Å; R349-I357 WeakPolarHBondContact CA-O 3.32Å; R349-I357 PolarHBondContact N-O 3.18Å
350A84.8Confident84.5Confident35 Ų3568.5 Ų68.529%0.28934%0.338SS..  trans-69.4147.2169.400000110.6F308 K347 D348 I357F308-A350 HydrophobicContact CE2-CB 3.72Å; F308-A350 HydrophobicContact CZ-CB 3.8Å; K347-A350 HydrophobicContact CB-CB 4.45Å; K347-A350 WeakPolarHBondContact O-CB 3.48Å; K347-A350 PolarHBondContact O-N 2.85Å; K347-A350 VanDerWaalsContact O-N 3.08Å; D348-A350 PolarHBondContact O-N 3.47Å; A350-I357 PolarHBondContact O-N 2.92Å
351N82.1Confident84.4Confident116 Ų11669 Ų6962%0.6234%0.341SS*.EExtended strand (participates in β ladder)trans-84.2122.1179.7-68.8-35.5000110.7R355 Y356N351-R355 CarbonylContact C-O 3.56Å; N351-R355 WeakPolarHBondContact CA-O 3.43Å; N351-Y356 VanDerWaalsContact OD1-CA 3.3Å; N351-Y356 WeakPolarHBondContact OD1-CA 3.48Å; N351-Y356 VanDerWaalsContact OD1-CB 3.29Å; N351-Y356 WeakPolarHBondContact OD1-CB 3.27Å; N351-Y356 PolarHBondContact OD1-N 3.49Å
352M78.8Confident84.1Confident13 Ų1373 Ų736%0.06436%0.363CS..EExtended strand (participates in β ladder)trans-97.7105.4162.7-168.1-178.5-6100107.9M293 L296 P297 A300 D304 F308 H354 R355 I357M293-M352 HydrophobicContact CE-CE 4.23Å; L296-M352 HydrophobicContact CD2-CE 3.61Å; L296-M352 HydrophobicContact CD2-SD 3.74Å; P297-M352 HydrophobicContact CG-CG 4.42Å; A300-M352 HydrophobicContact CB-SD 4.22Å; D304-M352 HydrophobicContact CB-SD 4.39Å; F308-M352 HydrophobicContact CB-CE 3.42Å; F308-M352 VanDerWaalsContact CB-CE 3.42Å; F308-M352 HydrophobicContact CD1-CE 4.02Å; F308-M352 HydrophobicContact CD2-CB 4.25Å; F308-M352 HydrophobicContact CD2-CE 3.62Å; F308-M352 HydrophobicContact CE2-CB 4.43Å; F308-M352 HydrophobicContact CE2-CE 4.33Å; F308-M352 HydrophobicContact CG-CE 3.42Å; F308-M352 VanDerWaalsContact CG-CE 3.42Å; M352-H354 PolarHBondContact O-N 2.82Å; M352-R355 CarbonylContact C-O 3.58Å; M352-R355 PolarHBondContact N-O 2.98Å; M352-R355 PolarHBondContact O-N 3.49Å; M352-R355 VanDerWaalsContact O-N 3.17Å; M352-R355 VanDerWaalsContact O-O 3.13Å; M352-I357 HydrophobicContact CB-CD1 3.78Å; M352-I357 HydrophobicContact CB-CG1 3.5Å; M352-I357 HydrophobicContact CE-CD1 4.47Å; M352-I357 HydrophobicContact CE-CG1 4.11Å
353Q78.8Confident83.1Confident124 Ų12470.9 Ų70.958%0.57935%0.351SS*.THydrogen-bonded Turntrans59.7-113.5-172.3-52.8174.8-6.100111.7
354H79.4Confident81.7Confident152 Ų15273.8 Ų73.870%0.70436%0.364SS*.THydrogen-bonded Turntrans-103.411.6-17863.5-79.6000112.6M352M352-H354 PolarHBondContact O-N 2.82Å
355R81.8Confident80.1Confident93 Ų9379.1 Ų79.135%0.35140%0.397SS..EExtended strand (participates in β ladder)trans-125.6132.7-176.8-68-76.9-64.4176.90.1109.5G295 P297 N351 M352G295-R355 PolarHBondContact O-NE 2.76Å; P297-R355 HydrophobicContact CG-CB 4.15Å; P297-R355 HydrophobicContact CG-CG 4.16Å; N351-R355 CarbonylContact C-O 3.56Å; N351-R355 WeakPolarHBondContact CA-O 3.43Å; M352-R355 CarbonylContact C-O 3.58Å; M352-R355 PolarHBondContact N-O 2.98Å; M352-R355 PolarHBondContact O-N 3.49Å; M352-R355 VanDerWaalsContact O-N 3.17Å; M352-R355 VanDerWaalsContact O-O 3.13Å
356Y86.2Confident78.4Confident127 Ų12779.4 Ų79.450%0.49841%0.413SS..EExtended strand (participates in β ladder)trans-76.7142166.760-92.8000109.1N351 E358N351-Y356 VanDerWaalsContact OD1-CA 3.3Å; N351-Y356 WeakPolarHBondContact OD1-CA 3.48Å; N351-Y356 VanDerWaalsContact OD1-CB 3.29Å; N351-Y356 WeakPolarHBondContact OD1-CB 3.27Å; N351-Y356 PolarHBondContact OD1-N 3.49Å; Y356-E358 HydrophobicContact CD2-CG 4.1Å; Y356-E358 HydrophobicContact CE2-CG 4.12Å
357I89.4Confident76.7Confident0 Ų077.8 Ų77.80%041%0.406CS..  trans-106.1128.9179.8-55.5-53.5000108.6M293 G295 L296 F308 R349 A350 M352 L359M293-I357 HydrophobicContact CB-CG2 4.44Å; M293-I357 HydrophobicContact CE-CG2 3.7Å; G295-I357 WeakPolarHBondContact O-CD1 3.25Å; L296-I357 HydrophobicContact CD2-CD1 3.98Å; L296-I357 HydrophobicContact CG-CD1 4.45Å; F308-I357 HydrophobicContact CE1-CG2 4.36Å; F308-I357 HydrophobicContact CE2-CB 4.42Å; F308-I357 HydrophobicContact CE2-CG1 4.19Å; F308-I357 HydrophobicContact CZ-CB 3.96Å; F308-I357 HydrophobicContact CZ-CG1 4.2Å; F308-I357 HydrophobicContact CZ-CG2 4.25Å; R349-I357 WeakPolarHBondContact CA-O 3.32Å; R349-I357 PolarHBondContact N-O 3.18Å; A350-I357 PolarHBondContact O-N 2.92Å; M352-I357 HydrophobicContact CB-CD1 3.78Å; M352-I357 HydrophobicContact CB-CG1 3.5Å; M352-I357 HydrophobicContact CE-CD1 4.47Å; M352-I357 HydrophobicContact CE-CG1 4.11Å; I357-L359 HydrophobicContact CG2-CD2 3.84Å; I357-L359 HydrophobicContact CG2-CG 4.48Å
358E87.3Confident74.5Confident68 Ų6880 Ų8032%0.31843%0.429SS..EExtended strand (participates in β ladder)trans-98.8129.3174-64.3-179.6101.600108.7M293 R294 D348 Y356 F360M293-E358 CarbonylContact C-O 3.56Å; M293-E358 WeakPolarHBondContact CA-O 3.45Å; R294-E358 PolarHBondContact N-O 3.5Å; R294-E358 PolarHBondContact O-N 3.47Å; D348-E358 WeakPolarHBondContact OD1-CA 3.38Å; Y356-E358 HydrophobicContact CD2-CG 4.1Å; Y356-E358 HydrophobicContact CE2-CG 4.12Å; E358-F360 HydrophobicContact CB-CE2 3.84Å; E358-F360 HydrophobicContact CB-CZ 4.14Å
359L89.1Confident72.1Confident5 Ų585.3 Ų85.33%0.02646%0.457CS..EExtended strand (participates in β ladder)trans-111.4136.3179.7-58.5-179000109.6V291 H292 M293 F308 F309 A344 M345 K347 D348 I357V291-L359 HydrophobicContact CG1-CB 3.97Å; V291-L359 HydrophobicContact CG1-CD2 4.16Å; H292-L359 CarbonylContact O-C 3.6Å; H292-L359 WeakPolarHBondContact O-CA 3.24Å; M293-L359 HydrophobicContact CB-CD2 4.08Å; M293-L359 HydrophobicContact CE-CD2 3.94Å; M293-L359 HydrophobicContact CG-CD2 3.59Å; M293-L359 HydrophobicContact SD-CD2 4.48Å; F308-L359 HydrophobicContact CE1-CD1 4.29Å; F308-L359 HydrophobicContact CE1-CD2 4.45Å; F309-L359 HydrophobicContact CE1-CD1 3.79Å; F309-L359 HydrophobicContact CE1-CD2 4.27Å; F309-L359 HydrophobicContact CZ-CD1 4.17Å; F309-L359 HydrophobicContact CZ-CD2 3.78Å; A344-L359 WeakPolarHBondContact O-CD1 3.35Å; M345-L359 HydrophobicContact CE-CB 4.31Å; M345-L359 WeakPolarHBondContact CE-O 3.44Å; M345-L359 HydrophobicContact SD-CB 3.84Å; K347-L359 HydrophobicContact CB-CD1 4.23Å; D348-L359 HydrophobicContact CB-CB 4.28Å; D348-L359 PolarHBondContact OD1-N 2.79Å; I357-L359 HydrophobicContact CG2-CD2 3.84Å; I357-L359 HydrophobicContact CG2-CG 4.48Å
360F86.9Confident69.6Low84 Ų8480.2 Ų80.237%0.36846%0.461SS..EExtended strand (participates in β ladder)trans-124.1119.9178-58-89.5000108.9V291 H292 R294 E358 N362V291-F360 CarbonylContact C-O 3.49Å; V291-F360 VanDerWaalsContact CA-O 3.32Å; V291-F360 WeakPolarHBondContact CA-O 3.13Å; H292-F360 HydrophobicContact CB-CB 4.23Å; H292-F360 AromaticContact CD2-CD2 3.96Å; H292-F360 PolarHBondContact N-O 3.25Å; H292-F360 PolarHBondContact O-N 3.26Å; R294-F360 HydrophobicContact CB-CE2 4.15Å; R294-F360 VanDerWaalsContact CD-CE2 3.49Å; R294-F360 HydrophobicContact CG-CD2 4.21Å; R294-F360 HydrophobicContact CG-CE2 3.78Å; E358-F360 HydrophobicContact CB-CE2 3.84Å; E358-F360 HydrophobicContact CB-CZ 4.14Å; F360-N362 PolarHBondContact O-N 3.11Å
361L83.4Confident67.1Low65 Ų6582.7 Ų82.734%0.3448%0.482SS..EExtended strand (participates in β ladder)trans-77.3112.2179.9-173.365000110.1V291 A341 V342 M345 S363V291-L361 HydrophobicContact CG2-CD1 3.98Å; A341-L361 HydrophobicContact CB-CD1 3.66Å; V342-L361 HydrophobicContact CG2-CD2 3.97Å; M345-L361 HydrophobicContact CE-CB 4.07Å; M345-L361 HydrophobicContact CG-CB 3.86Å; M345-L361 HydrophobicContact CG-CD1 4.03Å; M345-L361 HydrophobicContact CG-CD2 4.41Å; M345-L361 HydrophobicContact CG-CG 4.33Å; M345-L361 HydrophobicContact SD-CB 3.68Å; M345-L361 HydrophobicContact SD-CD1 4.48Å; M345-L361 PolarHBondContact SD-N 3.11Å; L361-S363 VanDerWaalsContact CD1-OG 3.27Å; L361-S363 WeakPolarHBondContact CD1-OG 3.24Å; L361-S363 VanDerWaalsContact CG-OG 3.25Å; L361-S363 WeakPolarHBondContact CG-OG 3.47Å
362N78.2Confident64.7Low85 Ų8588.3 Ų88.346%0.45550%0.496SS..EExtended strand (participates in β ladder)trans-109.548174.6-69-11.9000110C290 F360C290-N362 PolarHBondContact N-O 3.17Å; C290-N362 CarbonylContact O-C 3.56Å; C290-N362 VanDerWaalsContact O-CA 3.24Å; C290-N362 WeakPolarHBondContact O-CA 3.44Å; C290-N362 WeakPolarHBondContact O-CB 3.17Å; C290-N362 PolarHBondContact O-N 2.9Å; C290-N362 WeakPolarHBondContact SG-CB 3.46Å; C290-N362 PolarHBondContact SG-O 3.49Å; F360-N362 PolarHBondContact O-N 3.11Å
363S64.1Low62.3Low20 Ų2093.6 Ų93.614%0.1453%0.534CS..EExtended strand (participates in β ladder)trans-110.1127.1178.669.50000111.4H338 L361H338-S363 PolarHBondContact CE1-OG 3.36Å; H338-S363 WeakPolarHBondContact ND1-CB 3.48Å; H338-S363 PolarHBondContact ND1-OG 3.05Å; L361-S363 VanDerWaalsContact CD1-OG 3.27Å; L361-S363 WeakPolarHBondContact CD1-OG 3.24Å; L361-S363 VanDerWaalsContact CG-OG 3.25Å; L361-S363 WeakPolarHBondContact CG-OG 3.47Å
364T57.7Low60.2Low103 Ų10392.7 Ų92.763%0.63254%0.541SS*.  trans-90.2120.8172-60.30000109.7G288 G366G288-T364 PolarHBondContact O-N 3.28Å; T364-G366 VanDerWaalsContact C-N 3.28Å; T364-G366 PolarHBondContact O-N 3.47Å
365T52.3Low57.9Low112 Ų11293.4 Ų93.469%0.68755%0.545SS*.THydrogen-bonded Turntrans-71.280.8171.151.20000109.7H338H338-T365 VanDerWaalsContact CE1-CG2 3.48Å; H338-T365 WeakPolarHBondContact CE1-CG2 3.44Å; H338-T365 WeakPolarHBondContact NE2-CG2 3.41Å
366G51Low55.4Low57 Ų5795.4 Ų95.459%0.58857%0.567SS**THydrogen-bonded Turntrans165.114.1179.200000117.9T364 S368T364-G366 VanDerWaalsContact C-N 3.28Å; T364-G366 PolarHBondContact O-N 3.47Å; G366-S368 VanDerWaalsContact C-N 3.28Å; G366-S368 PolarHBondContact O-N 3.24Å
367A47.4Very low52.7Low73 Ų7398.4 Ų98.460%0.60359%0.588SS**  trans-84.170.417500000111.3
368S35.9Very low49.8Very low102 Ų102107.5 Ų107.571%0.71363%0.63SS**  trans-123.8104.9162.462.20000109.7G366G366-S368 VanDerWaalsContact C-N 3.28Å; G366-S368 PolarHBondContact O-N 3.24Å
369N36.9Very low47Very low177 Ų177107.4 Ų107.495%0.94765%0.648SS**  trans18.3123.4159.6-78.2-19.6000120.6
370G30.9Very low44.1Very low73 Ų73116.4 Ų116.475%0.75369%0.692SS**  trans133.793.1154.300000113.4
371A30.7Very low41.2Very low88 Ų88115.6 Ų115.673%0.72771%0.708SS**  64.4104.49500000115
372Y32.1Very low38.6Very low233 Ų233119 Ų11991%0.91473%0.731SS**  trans37.3116.2147.3-59.4-90.7000120.1
373S28.1Very low36.2Very low125 Ų125120.2 Ų120.287%0.87475%0.746SS**  trans-152.294.3132.9177.90000109.9
374S36.2Very low34.4Very low104 Ų104124 Ų12473%0.72778%0.778SS**  trans-11695161.21450000105.3
375Q29.7Very low33Very low168 Ų168123.4 Ų123.479%0.78578%0.784SS**  trans-166108.9157-111.5150.6-14.200112
376V30.3Very low31.8Very low134 Ų134127.2 Ų127.281%0.81279%0.794SS**  trans37.8115.4130.8-52.60000118.2
377M29.2Very low30.7Very low191 Ų191128.8 Ų128.894%0.94180%0.801SS**  trans-155.7130.4131.2-153.3160.917300111.9
378Q29.2Very low29.7Very low190 Ų190131.4 Ų131.489%0.88881%0.81SS**  trans-54.4154.6167.9-72.1160.9-3500112.6
379G27.1Very low29.2Very low67 Ų67136.8 Ų136.869%0.69182%0.816SS**  trans148.8113.7144.900000115.1
380M29Very low28.8Very low194 Ų194134.1 Ų134.196%0.95681%0.811SS**  trans48.5112.7140.6-70.3161146.800117
381G25.9Very low28.6Very low67 Ų67133.8 Ų133.869%0.69181%0.808SS**  85.2128.458.800000110.4
382V28.9Very low28.5Very low137 Ų137137 Ų13783%0.8381%0.812SS**  trans92.9102.7162.1-50.60000120.6
383S26.8Very low28.2Very low110 Ų110133.9 Ų133.977%0.76981%0.805SS**  68.3121.8120.2700000120.9
384A26.1Very low28.2Very low98 Ų98132.5 Ų132.581%0.8180%0.796SS**  149151.693.800000113.3
385A28.6Very low27.8Very low91 Ų91135.9 Ų135.975%0.75280%0.8SS**  trans87.777.4154.900000119.5
386Q27.2Very low27.7Very low193 Ų193132.6 Ų132.690%0.90280%0.796SS**  26.8118.3116.5-73.3173.2-51.100119.5
387A29.3Very low27.6Very low89 Ų89132.1 Ų132.174%0.73679%0.793SS**  trans-69.9146.5140.800000110.2
388T25.9Very low27.6Very low129 Ų129128.8 Ų128.879%0.79179%0.788SS**  trans172124.1141.2-680000111.7
389Y25.6Very low27.6Very low215 Ų215122.4 Ų122.484%0.84377%0.773SS**  trans38.7130.4152.6-79.9-107.9000123.4
390S28.3Very low27.6Very low120 Ų120124.3 Ų124.384%0.83978%0.775SS**  175.4140.3110.240.20000111.2
391G26.1Very low27.8Very low66 Ų66125.3 Ų125.368%0.6877%0.77SS**  trans-105.4161.8172.100000112
392L28.7Very low28Very low156 Ų156125.9 Ų125.982%0.81778%0.775SS**  trans-176.1120.2151.5-103.8144.6000112.2
393E25.2Very low28.3Very low167 Ų167124.6 Ų124.678%0.7878%0.78SS**  trans41.1126.4139.9-71.9-176.1106.200125.8
394S28.8Very low28.4Very low96 Ų96122.3 Ų122.367%0.67177%0.773SS**  84.1120126.2750000121.4
395Q28.6Very low28.7Very low176 Ų176128.6 Ų128.682%0.82278%0.778SS**  166.9114.1105.6-88.2-175.11600112.8
396S26.5Very low28.9Very low98 Ų98129.6 Ų129.669%0.68578%0.779SS**  trans37.3135131.966.10000123.5
397V28.4Very low29.4Very low125 Ų125124.1 Ų124.176%0.75878%0.775SS**  134.8122.5120.7-172.80000114.8
398S29.9Very low29.8Very low121 Ų121128.7 Ų128.785%0.84678%0.781SS**  trans63.3141153.8-67.50000120.4
399G28.8Very low30.3Very low55 Ų55130.4 Ų130.457%0.56779%0.785SS**  cis164.8151.6400000109
400C27.7Very low31Very low108 Ų108125.7 Ų125.773%0.7378%0.783SS**  trans48143.1158.444.50000118.6
401Y32.5Very low31.7Very low214 Ų214129 Ų12984%0.83979%0.788SS**  cis-161.2144.649.2-12.6-90.8000108.4
402G30.3Very low32.3Very low79 Ų79129.7 Ų129.781%0.81480%0.795SS**  trans-98.6165.5172.400000113.6
403A34.2Very low33Very low111 Ų111126 Ų12692%0.91779%0.794SS**  trans167.9136.2151.700000105.8
404G29.9Very low33.9Very low62 Ų62128.7 Ų128.764%0.63980%0.799SS**  cis175.7158.13.100000107.1
405Y32.3Very low34.6Very low229 Ų229135.6 Ų135.690%0.89883%0.829SS**  trans30.4139.4145.4-62.2-85000119.1
406S33Very low34.9Very low113 Ų113133.6 Ų133.679%0.7983%0.829SS**  cis167.9151.515.841.90000105
407G37.2Very low35.3Very low78 Ų78135.5 Ų135.580%0.80484%0.837SS**  trans164.381.4165.900000114.9
408Q38.1Very low35.7Very low184 Ų184136.1 Ų136.186%0.8684%0.841SS**  trans-58.5144.7165.7-68.8164.7-53.200111.2
409N36.2Very low36Very low166 Ų166136.9 Ų136.989%0.88884%0.841SS**  -168.4122.3110-100.93.7000111.9
410S40.7Very low36.5Very low115 Ų115142.1 Ų142.180%0.80486%0.858SS**  trans-127.3153.4166.2-154.50000106.4
411M42.3Very low37.1Very low189 Ų189144.3 Ų144.393%0.93187%0.866SS**  trans98111.5176.8-60.2-157169.400117.6
412G39.8Very low37.4Very low81 Ų81139.4 Ų139.484%0.83587%0.868SS**  81.3113.890.700000116.2
413G43Very low37.9Very low78 Ų78144 Ų14480%0.80487%0.873SS**  trans-159.4118.3168.300000110.5
414Y42.7Very low38.2Very low224 Ų224146.8 Ų146.888%0.87887%0.869SS**  trans-91.6132.5169.8-50.8-99.2000107.7
415D43.7Very low39Very low242 Ų242154.5 Ų154.5100%1.29489%0.89SS**  trans-179.20130.6-103.3-47.6000109.1

Retrieved 415 of 415 residues in 103.7 ms (Link to these results)

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