A0A077ZJ76_TRITR Loading...

Transaldolase

Catalyzes the rate-limiting step of the non-oxidative phase in the pentose phosphate pathway. Catalyzes the reversible conversion of sedheptulose-7-phosphate and D-glyceraldehyde 3-phosphate into erythrose-4-phosphate and beta-D-fructose 6-phosphate.

AlphaFold DB , UniProt , Accession A0A077ZJ76, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 220 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
1M97.4Very high98.7Very high134 Ų13443.5 Ų43.566%0.6624%0.236SC*.  0131.10-145.4-47-67.800107.4L3 L177 E182 I184M1-L3 HydrophobicContact CE-CB 3.62Å; M1-L177 HydrophobicContact CG-CD2 4.1Å; M1-L177 HydrophobicContact SD-CD2 3.99Å; M1-E182 CarbonylContact C-O 2.91Å; M1-E182 WeakPolarHBondContact CA-O 3.42Å; M1-E182 VanDerWaalsContact SD-O 3.35Å; M1-I184 HydrophobicContact CE-CG2 4.09Å; M1-I184 HydrophobicContact SD-CG2 4.26Å
2E98.8Very high98.7Very high42 Ų4241.4 Ų41.420%0.19623%0.229CC..EExtended strand (participates in β ladder)trans-117.3116.6174.5-62.4147.8-161.200110.8Y4 A23 Y127 K161 E182 S183 I184E2-Y4 HydrophobicContact CB-CD2 4.33Å; E2-Y4 HydrophobicContact CB-CE2 3.46Å; E2-Y4 VanDerWaalsContact CB-CE2 3.46Å; E2-Y4 PolarHBondContact OE2-OH 2.87Å; E2-A23 HydrophobicContact CB-CB 3.71Å; E2-A23 HydrophobicContact CG-CB 4.25Å; E2-Y127 VanDerWaalsContact OE2-CE1 3.27Å; E2-Y127 WeakPolarHBondContact OE2-CE1 3.48Å; E2-K161 IonicContact OE1-NZ 2.66Å; E2-K161 PolarHBondContact OE1-NZ 3.21Å; E2-K161 IonicContact OE2-NZ 3.92Å; E2-E182 PolarHBondContact N-O 3.39Å; E2-S183 VanDerWaalsContact O-CA 3.29Å; E2-S183 WeakPolarHBondContact O-CA 3.23Å; E2-S183 WeakPolarHBondContact O-CB 3.19Å; E2-I184 PolarHBondContact O-N 3.28Å; E2-I184 VanDerWaalsContact O-N 3.08Å
3L98.9Very high98.7Very high27 Ų2738.2 Ų38.214%0.14121%0.211CC..EExtended strand (participates in β ladder)trans-97.5120.5-177.717761.6000109.9M1 F20 L22 A23 I184 L186M1-L3 HydrophobicContact CE-CB 3.62Å; L3-F20 HydrophobicContact CD2-CB 4.37Å; L3-F20 HydrophobicContact CD2-CD1 3.94Å; L3-L22 HydrophobicContact CD2-CD2 4.16Å; L3-L22 HydrophobicContact CG-CD2 4.06Å; L3-L22 CarbonylContact O-C 3.57Å; L3-L22 WeakPolarHBondContact O-CA 3.5Å; L3-A23 PolarHBondContact O-N 3.27Å; L3-I184 HydrophobicContact CD1-CG2 3.71Å; L3-L186 HydrophobicContact CD1-CD1 3.82Å; L3-L186 HydrophobicContact CD1-CG 4.05Å
4Y98.9Very high98.7Very high5 Ų546.1 Ų46.12%0.0224%0.243CC..EExtended strand (participates in β ladder)trans-114.8155.5179.1-60-78.5000111.2E2 A23 G24 T26 R55 F57 L163 I184 T185 L186E2-Y4 HydrophobicContact CB-CD2 4.33Å; E2-Y4 HydrophobicContact CB-CE2 3.46Å; E2-Y4 VanDerWaalsContact CB-CE2 3.46Å; E2-Y4 PolarHBondContact OE2-OH 2.87Å; Y4-A23 HydrophobicContact CD1-CB 4.27Å; Y4-A23 HydrophobicContact CE1-CB 3.73Å; Y4-A23 WeakPolarHBondContact CE1-O 3.36Å; Y4-A23 HydrophobicContact CE2-CB 4.48Å; Y4-G24 WeakPolarHBondContact CA-O 3.31Å; Y4-T26 HydrophobicContact CG-CG2 4.28Å; Y4-R55 HydrophobicContact CE1-CB 4.3Å; Y4-F57 AromaticContact CD1-CE2 3.94Å; Y4-F57 HydrophobicContact CD1-CE2 3.94Å; Y4-F57 HydrophobicContact CE1-CD2 4.44Å; Y4-F57 AromaticContact CE1-CE2 3.49Å; Y4-F57 HydrophobicContact CE1-CE2 3.49Å; Y4-F57 VanDerWaalsContact CE1-CE2 3.49Å; Y4-F57 HydrophobicContact CE1-CZ 4.2Å; Y4-F57 HydrophobicContact CE2-CE2 4.28Å; Y4-F57 HydrophobicContact CE2-CZ 4.33Å; Y4-F57 AromaticContact CZ-CE2 3.67Å; Y4-F57 AromaticContact CZ-CZ 3.89Å; Y4-L163 HydrophobicContact CD2-CD1 3.78Å; Y4-L163 HydrophobicContact CD2-CG 4.21Å; Y4-L163 HydrophobicContact CE2-CD1 3.72Å; Y4-L163 HydrophobicContact CE2-CG 4.4Å; Y4-I184 PolarHBondContact N-O 3.02Å; Y4-T185 WeakPolarHBondContact O-CA 3.44Å; Y4-L186 PolarHBondContact O-N 3.45Å
5L98.9Very high98.6Very high1 Ų146.9 Ų46.91%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-98.2136.1163.1-67.7177.7000110.2T7 V13 L16 L22 G24 V25 T26 T185 L186 L188 A191L5-T7 HydrophobicContact CB-CG2 3.93Å; L5-T7 PolarHBondContact O-N 3.43Å; L5-V13 HydrophobicContact CD1-CG2 4.4Å; L5-L16 HydrophobicContact CD1-CB 3.85Å; L5-L16 HydrophobicContact CD1-CD1 3.89Å; L5-L16 HydrophobicContact CD2-CD1 4.33Å; L5-L22 HydrophobicContact CD1-CD1 3.51Å; L5-L22 HydrophobicContact CD1-CD2 4.36Å; L5-L22 HydrophobicContact CD2-CD2 4.31Å; L5-L22 HydrophobicContact CG-CD1 3.83Å; L5-L22 HydrophobicContact CG-CD2 3.85Å; L5-G24 PolarHBondContact N-O 3.1Å; L5-V25 CarbonylContact O-C 3.59Å; L5-V25 WeakPolarHBondContact O-CA 3.49Å; L5-V25 WeakPolarHBondContact O-CG1 3.46Å; L5-T26 PolarHBondContact O-N 2.95Å; L5-T185 VanDerWaalsContact C-OG1 3.24Å; L5-T185 PolarHBondContact O-OG1 3.38Å; L5-L186 CarbonylContact C-O 3.49Å; L5-L186 WeakPolarHBondContact CA-O 3.39Å; L5-L188 HydrophobicContact CD1-CD2 4.44Å; L5-A191 HydrophobicContact CD2-CB 3.87Å
6D98.9Very high98.6Very high25 Ų2544.7 Ų44.713%0.13425%0.246CC..EExtended strand (participates in β ladder)trans-9680.9176.1-157.633.1000109.3T26 I31 T185 L186D6-T26 WeakPolarHBondContact CA-O 3.38Å; D6-T26 PolarHBondContact OD1-OG1 3.37Å; D6-I31 HydrophobicContact CB-CD1 4.29Å; D6-I31 VanDerWaalsContact CG-CD1 3.47Å; D6-I31 WeakPolarHBondContact OD1-CD1 3.38Å; D6-T185 WeakPolarHBondContact CA-OG1 3.3Å; D6-T185 HydrophobicContact CB-CG2 4.05Å; D6-T185 WeakPolarHBondContact CB-OG1 3.33Å; D6-T185 PolarHBondContact N-OG1 3.11Å; D6-T185 VanDerWaalsContact N-OG1 3.16Å; D6-L186 PolarHBondContact N-O 3.23Å
7T98.9Very high98.6Very high12 Ų1244.3 Ų44.37%0.07425%0.247CC..  trans-158.9161.8-172.2-170.70000112.3L5 D9 V13 V25 T26 L188L5-T7 HydrophobicContact CB-CG2 3.93Å; L5-T7 PolarHBondContact O-N 3.43Å; T7-D9 WeakPolarHBondContact OG1-CB 3.45Å; T7-D9 PolarHBondContact OG1-N 3.11Å; T7-V13 HydrophobicContact CG2-CG2 3.44Å; T7-V13 VanDerWaalsContact CG2-CG2 3.44Å; T7-V25 HydrophobicContact CG2-CG1 4.16Å; T7-V25 WeakPolarHBondContact O-CG1 3.3Å; T7-T26 PolarHBondContact N-O 3.32Å; T7-T26 VanDerWaalsContact N-O 3.1Å; T7-L188 HydrophobicContact CG2-CD2 3.92Å
8S98.8Very high98.5Very high11 Ų1154.2 Ų54.28%0.07728%0.28CS..  trans-123.416.516464.80000112.2V10 I31S8-V10 PolarHBondContact O-N 2.87Å; S8-I31 WeakPolarHBondContact OG-CG2 3.3Å; S8-I31 PolarHBondContact OG-O 3.26Å
9D98.8Very high98.5Very high76 Ų7656.8 Ų56.841%0.40629%0.293SS..  trans-80.2100172.2-174-23.7000109.8T7 V11 A12 V13 L188T7-D9 WeakPolarHBondContact OG1-CB 3.45Å; T7-D9 PolarHBondContact OG1-N 3.11Å; D9-V11 VanDerWaalsContact C-N 3.27Å; D9-V11 PolarHBondContact O-N 2.98Å; D9-V11 PolarHBondContact OD1-N 3.47Å; D9-A12 HydrophobicContact CB-CB 3.84Å; D9-A12 PolarHBondContact O-N 3.41Å; D9-A12 PolarHBondContact OD1-N 3.15Å; D9-V13 VanDerWaalsContact O-CG2 3.3Å; D9-V13 WeakPolarHBondContact O-CG2 3.48Å; D9-V13 PolarHBondContact O-N 3.21Å; D9-L188 HydrophobicContact CB-CD1 4.24Å
10V98.7Very high98.5Very high29 Ų2955 Ų5518%0.17628%0.283CS..Hα-helixtrans-59.9-36.5-179-179.70000112.1S8 K14 V42 Q45 L46 A49S8-V10 PolarHBondContact O-N 2.87Å; V10-K14 PolarHBondContact O-N 3.48Å; V10-V42 HydrophobicContact CG2-CG2 4.18Å; V10-Q45 HydrophobicContact CG1-CB 3.98Å; V10-Q45 HydrophobicContact CG2-CB 3.69Å; V10-L46 HydrophobicContact CG2-CD2 4.02Å; V10-L46 HydrophobicContact CG2-CG 4.25Å; V10-A49 HydrophobicContact CG1-CB 3.9Å
11V98.7Very high98.5Very high116 Ų11657.9 Ų57.970%0.70331%0.305SS*.Hα-helixtrans-70.9-45.5-179177.40000109.7D9 V13 K14 A15D9-V11 VanDerWaalsContact C-N 3.27Å; D9-V11 PolarHBondContact O-N 2.98Å; D9-V11 PolarHBondContact OD1-N 3.47Å; V11-V13 VanDerWaalsContact C-N 3.34Å; V11-V13 PolarHBondContact O-N 3.08Å; V11-K14 PolarHBondContact O-N 3.06Å; V11-A15 PolarHBondContact O-N 3.23Å
12A98.6Very high98.6Very high19 Ų1952.8 Ų52.816%0.15728%0.28CS..Hα-helixtrans-61.5-42.1175.900000111.7D9 K14 A15 L16 L188D9-A12 HydrophobicContact CB-CB 3.84Å; D9-A12 PolarHBondContact O-N 3.41Å; D9-A12 PolarHBondContact OD1-N 3.15Å; A12-K14 PolarHBondContact O-N 3.19Å; A12-A15 PolarHBondContact O-N 2.93Å; A12-L16 WeakPolarHBondContact O-CB 3.38Å; A12-L16 VanDerWaalsContact O-CG 3.31Å; A12-L16 WeakPolarHBondContact O-CG 3.39Å; A12-L16 PolarHBondContact O-N 3.4Å; A12-L188 HydrophobicContact CB-CD1 3.72Å; A12-L188 HydrophobicContact CB-CD2 3.94Å
13V98.7Very high98.6Very high0 Ų052.1 Ų52.10%028%0.282CS..Hα-helixtrans-60.5-45.5176.5169.20000111.4L5 T7 D9 V11 A15 L16 S17 V25 L46 A49 M50L5-V13 HydrophobicContact CD1-CG2 4.4Å; T7-V13 HydrophobicContact CG2-CG2 3.44Å; T7-V13 VanDerWaalsContact CG2-CG2 3.44Å; D9-V13 VanDerWaalsContact O-CG2 3.3Å; D9-V13 WeakPolarHBondContact O-CG2 3.48Å; D9-V13 PolarHBondContact O-N 3.21Å; V11-V13 VanDerWaalsContact C-N 3.34Å; V11-V13 PolarHBondContact O-N 3.08Å; V13-A15 VanDerWaalsContact C-N 3.32Å; V13-A15 PolarHBondContact O-N 3.5Å; V13-L16 PolarHBondContact O-N 3.1Å; V13-S17 WeakPolarHBondContact O-CB 3.43Å; V13-S17 PolarHBondContact O-N 3.35Å; V13-S17 PolarHBondContact O-OG 3.47Å; V13-V25 HydrophobicContact CG1-CG2 3.8Å; V13-V25 HydrophobicContact CG2-CG1 4.41Å; V13-V25 HydrophobicContact CG2-CG2 3.79Å; V13-L46 HydrophobicContact CB-CD2 4.32Å; V13-L46 HydrophobicContact CG2-CD2 3.84Å; V13-A49 HydrophobicContact CB-CB 4.33Å; V13-A49 HydrophobicContact CG1-CB 3.89Å; V13-M50 HydrophobicContact CG1-CG 3.77Å; V13-M50 HydrophobicContact CG1-SD 3.55Å; V13-M50 VanDerWaalsContact CG1-SD 3.55Å
14K98.5Very high98.5Very high149 Ų14950.8 Ų50.865%0.64828%0.275SS*.Hα-helixtrans-62.9-38.4177.5-171.8169.6-176.1169.20112.4V10 V11 A12 S17 A49V10-K14 PolarHBondContact O-N 3.48Å; V11-K14 PolarHBondContact O-N 3.06Å; A12-K14 PolarHBondContact O-N 3.19Å; K14-S17 PolarHBondContact O-OG 2.97Å; K14-S17 VanDerWaalsContact O-OG 3.09Å; K14-A49 HydrophobicContact CB-CB 4.11Å
15A98.3Very high98.5Very high57 Ų5750.6 Ų50.647%0.47127%0.274SS..Hα-helixtrans-71.3-46178.500000112.2V11 A12 V13V11-A15 PolarHBondContact O-N 3.23Å; A12-A15 PolarHBondContact O-N 2.93Å; V13-A15 VanDerWaalsContact C-N 3.32Å; V13-A15 PolarHBondContact O-N 3.5Å
16L98.5Very high98.6Very high12 Ų1250.5 Ų50.56%0.06327%0.274CS..Hα-helixtrans-79.1-27.2-174.5-65.6-178.7000113.1L5 A12 V13 R18 I19 F20 L188L5-L16 HydrophobicContact CD1-CB 3.85Å; L5-L16 HydrophobicContact CD1-CD1 3.89Å; L5-L16 HydrophobicContact CD2-CD1 4.33Å; A12-L16 WeakPolarHBondContact O-CB 3.38Å; A12-L16 VanDerWaalsContact O-CG 3.31Å; A12-L16 WeakPolarHBondContact O-CG 3.39Å; A12-L16 PolarHBondContact O-N 3.4Å; V13-L16 PolarHBondContact O-N 3.1Å; L16-R18 PolarHBondContact O-N 3.25Å; L16-I19 HydrophobicContact CD2-CD1 4.43Å; L16-I19 PolarHBondContact O-N 2.89Å; L16-F20 HydrophobicContact CB-CD2 4.15Å; L16-F20 HydrophobicContact CD2-CD2 4.27Å; L16-F20 HydrophobicContact CD2-CE2 4.03Å; L16-F20 PolarHBondContact O-N 3.47Å; L16-L188 HydrophobicContact CD1-CD2 3.76Å
17S97.9Very high98.6Very high38 Ų3849.4 Ų49.427%0.26627%0.268SS..Hα-helixtrans-63.5-23173.5570000113.5V13 K14 I19V13-S17 WeakPolarHBondContact O-CB 3.43Å; V13-S17 PolarHBondContact O-N 3.35Å; V13-S17 PolarHBondContact O-OG 3.47Å; K14-S17 PolarHBondContact O-OG 2.97Å; K14-S17 VanDerWaalsContact O-OG 3.09Å; S17-I19 VanDerWaalsContact C-N 3.32Å
18R97.4Very high98.5Very high223 Ų22349.8 Ų49.884%0.84227%0.27SS*.THydrogen-bonded Turntrans-71.6-26.6170.7174.7175.8159.2615.9112.8L16L16-R18 PolarHBondContact O-N 3.25Å
19I98.1Very high98.5Very high104 Ų10451.1 Ų51.153%0.53328%0.278SS..THydrogen-bonded Turntrans-101.5-48.6-171.2-59.8169.9000110.6L16 S17 I195L16-I19 HydrophobicContact CD2-CD1 4.43Å; L16-I19 PolarHBondContact O-N 2.89Å; S17-I19 VanDerWaalsContact C-N 3.32Å; I19-I195 HydrophobicContact CG2-CD1 3.85Å
20F98.5Very high98.5Very high20 Ų2051.5 Ų51.59%0.08829%0.287CS..SBendtrans-91.6144.9-176.7-72.9-87.1000111.7L3 L16 L22 A191 I195L3-F20 HydrophobicContact CD2-CB 4.37Å; L3-F20 HydrophobicContact CD2-CD1 3.94Å; L16-F20 HydrophobicContact CB-CD2 4.15Å; L16-F20 HydrophobicContact CD2-CD2 4.27Å; L16-F20 HydrophobicContact CD2-CE2 4.03Å; L16-F20 PolarHBondContact O-N 3.47Å; F20-L22 HydrophobicContact CB-CD2 3.5Å; F20-L22 VanDerWaalsContact CB-CD2 3.5Å; F20-L22 HydrophobicContact CB-CG 3.75Å; F20-L22 HydrophobicContact CG-CD2 4.34Å; F20-L22 PolarHBondContact O-N 3.1Å; F20-A191 HydrophobicContact CE2-CB 4.48Å; F20-A191 HydrophobicContact CZ-CB 4.25Å; F20-A191 VanDerWaalsContact CZ-O 3.23Å; F20-A191 WeakPolarHBondContact CZ-O 3.3Å; F20-I195 HydrophobicContact CE1-CG2 3.52Å; F20-I195 HydrophobicContact CE2-CD1 3.63Å; F20-I195 HydrophobicContact CE2-CG1 4.29Å; F20-I195 HydrophobicContact CE2-CG2 4.33Å; F20-I195 HydrophobicContact CZ-CB 4.2Å; F20-I195 HydrophobicContact CZ-CD1 3.66Å; F20-I195 HydrophobicContact CZ-CG1 3.82Å; F20-I195 HydrophobicContact CZ-CG2 3.37Å
21P98.3Very high98.5Very high115 Ų11551.6 Ų51.675%0.74729%0.286SS*.  trans-77.369.4171.133.9-35.4000110.4
22L98.7Very high98.5Very high27 Ų2747.1 Ų47.114%0.14126%0.258CS..  trans-74.2133.3-174.4-60.2-177.1000112L3 L5 F20 M50L3-L22 HydrophobicContact CD2-CD2 4.16Å; L3-L22 HydrophobicContact CG-CD2 4.06Å; L3-L22 CarbonylContact O-C 3.57Å; L3-L22 WeakPolarHBondContact O-CA 3.5Å; L5-L22 HydrophobicContact CD1-CD1 3.51Å; L5-L22 HydrophobicContact CD1-CD2 4.36Å; L5-L22 HydrophobicContact CD2-CD2 4.31Å; L5-L22 HydrophobicContact CG-CD1 3.83Å; L5-L22 HydrophobicContact CG-CD2 3.85Å; F20-L22 HydrophobicContact CB-CD2 3.5Å; F20-L22 VanDerWaalsContact CB-CD2 3.5Å; F20-L22 HydrophobicContact CB-CG 3.75Å; F20-L22 HydrophobicContact CG-CD2 4.34Å; F20-L22 PolarHBondContact O-N 3.1Å; L22-M50 HydrophobicContact CB-CE 3.54Å; L22-M50 HydrophobicContact CB-SD 4.46Å; L22-M50 HydrophobicContact CD1-CE 4.18Å; L22-M50 HydrophobicContact CD1-SD 4.01Å
23A98.8Very high98.5Very high28 Ų2849.6 Ų49.623%0.23128%0.278CS..  trans-84.4-11.4167.800000112.7E2 L3 Y4 G54 R55E2-A23 HydrophobicContact CB-CB 3.71Å; E2-A23 HydrophobicContact CG-CB 4.25Å; L3-A23 PolarHBondContact O-N 3.27Å; Y4-A23 HydrophobicContact CD1-CB 4.27Å; Y4-A23 HydrophobicContact CE1-CB 3.73Å; Y4-A23 WeakPolarHBondContact CE1-O 3.36Å; Y4-A23 HydrophobicContact CE2-CB 4.48Å; A23-G54 CarbonylContact O-C 3.55Å; A23-G54 VanDerWaalsContact O-CA 3.23Å; A23-G54 WeakPolarHBondContact O-CA 3.29Å; A23-R55 PolarHBondContact O-N 3.33Å
24G98.8Very high98.5Very high0 Ų053.4 Ų53.40%031%0.31CS..EExtended strand (participates in β ladder)trans152.1-153.1176.500000113.9Y4 L5 R55Y4-G24 WeakPolarHBondContact CA-O 3.31Å; L5-G24 PolarHBondContact N-O 3.1Å; G24-R55 VanDerWaalsContact CA-O 3.29Å; G24-R55 WeakPolarHBondContact CA-O 3.47Å
25V98.9Very high98.5Very high0 Ų047.8 Ų47.80%029%0.294CS..EExtended strand (participates in β ladder)trans-137.5133.8-177-179.50000110.6L5 T7 V13 L46 M50 R55 L56 F57L5-V25 CarbonylContact O-C 3.59Å; L5-V25 WeakPolarHBondContact O-CA 3.49Å; L5-V25 WeakPolarHBondContact O-CG1 3.46Å; T7-V25 HydrophobicContact CG2-CG1 4.16Å; T7-V25 WeakPolarHBondContact O-CG1 3.3Å; V13-V25 HydrophobicContact CG1-CG2 3.8Å; V13-V25 HydrophobicContact CG2-CG1 4.41Å; V13-V25 HydrophobicContact CG2-CG2 3.79Å; V25-L46 HydrophobicContact CG1-CD1 4.4Å; V25-L46 HydrophobicContact CG1-CD2 4.4Å; V25-M50 HydrophobicContact CG2-CG 4.13Å; V25-M50 HydrophobicContact CG2-SD 4.19Å; V25-R55 PolarHBondContact N-O 3.47Å; V25-R55 VanDerWaalsContact N-O 3.08Å; V25-L56 HydrophobicContact CB-CD2 3.77Å; V25-L56 HydrophobicContact CG2-CD2 4.49Å; V25-L56 WeakPolarHBondContact O-CA 3.38Å; V25-F57 PolarHBondContact O-N 3.35Å; V25-F57 VanDerWaalsContact O-N 3.11Å
26T99Very high98.5Very high0 Ų054.3 Ų54.30%031%0.312CS..EExtended strand (participates in β ladder)trans-100.5140.8168.363.70000110.7Y4 L5 D6 T7 F57 L163 T185Y4-T26 HydrophobicContact CG-CG2 4.28Å; L5-T26 PolarHBondContact O-N 2.95Å; D6-T26 WeakPolarHBondContact CA-O 3.38Å; D6-T26 PolarHBondContact OD1-OG1 3.37Å; T7-T26 PolarHBondContact N-O 3.32Å; T7-T26 VanDerWaalsContact N-O 3.1Å; T26-F57 HydrophobicContact CG2-CB 4.03Å; T26-F57 HydrophobicContact CG2-CD2 3.64Å; T26-F57 HydrophobicContact CG2-CE2 4.23Å; T26-F57 HydrophobicContact CG2-CG 3.86Å; T26-L163 HydrophobicContact CG2-CD1 4.34Å; T26-L163 HydrophobicContact CG2-CD2 4.35Å; T26-T185 HydrophobicContact CG2-CG2 4.29Å; T26-T185 WeakPolarHBondContact OG1-CB 3.29Å; T26-T185 WeakPolarHBondContact OG1-CG2 3.28Å; T26-T185 PolarHBondContact OG1-OG1 3.1Å
27T98.9Very high98.4Very high1 Ų158 Ų581%0.00633%0.327CS..  trans-118167.9169.770.50000110.1I32 L43 L46 F57 A58 K85T27-I32 HydrophobicContact CG2-CD1 3.8Å; T27-L43 HydrophobicContact CG2-CD2 4.48Å; T27-L46 HydrophobicContact CG2-CD1 3.85Å; T27-F57 PolarHBondContact N-O 3Å; T27-F57 PolarHBondContact OG1-O 3.41Å; T27-A58 WeakPolarHBondContact OG1-CA 3.38Å; T27-K85 WeakPolarHBondContact O-CD 3.35Å; T27-K85 PolarHBondContact O-NZ 3.02Å
28N98.7Very high98.5Very high21 Ų2159.8 Ų59.811%0.11234%0.338CS..  trans-148.5168166.36756.2000108.2S30 I31 I32N28-S30 VanDerWaalsContact C-N 3.28Å; N28-S30 PolarHBondContact O-N 2.9Å; N28-S30 WeakPolarHBondContact OD1-CB 3.38Å; N28-S30 PolarHBondContact OD1-N 3.03Å; N28-S30 VanDerWaalsContact OD1-N 3.12Å; N28-I31 WeakPolarHBondContact ND2-CD1 3.49Å; N28-I31 WeakPolarHBondContact ND2-CG1 3.41Å; N28-I31 WeakPolarHBondContact O-CB 3.26Å; N28-I31 PolarHBondContact O-N 2.92Å; N28-I31 VanDerWaalsContact O-N 3.08Å; N28-I31 WeakPolarHBondContact OD1-CG1 3.38Å; N28-I31 PolarHBondContact OD1-N 3.32Å; N28-I32 WeakPolarHBondContact O-CG1 3.34Å; N28-I32 PolarHBondContact O-N 3.28Å
29P98.6Very high98.5Very high39 Ų3951.9 Ų51.925%0.25331%0.312SS..Hα-helixtrans-58.2-38.4-173.3-2837.7000113.7I32 A33 Q59 M61P29-I32 PolarHBondContact O-N 3.32Å; P29-A33 VanDerWaalsContact O-CB 3.23Å; P29-A33 WeakPolarHBondContact O-CB 3.26Å; P29-A33 PolarHBondContact O-N 2.91Å; P29-Q59 HydrophobicContact CG-CB 4.07Å; P29-Q59 HydrophobicContact CG-CG 4.43Å; P29-M61 HydrophobicContact CB-CE 4.38Å; P29-M61 HydrophobicContact CB-SD 3.65Å; P29-M61 HydrophobicContact CG-SD 3.43Å; P29-M61 WeakPolarHBondContact CG-SD 3.45Å
30S98.4Very high98.5Very high84 Ų8451.7 Ų51.759%0.58731%0.312SS*.Hα-helixtrans-66.4-40.1177.5-57.30000112.1N28 A34N28-S30 VanDerWaalsContact C-N 3.28Å; N28-S30 PolarHBondContact O-N 2.9Å; N28-S30 WeakPolarHBondContact OD1-CB 3.38Å; N28-S30 PolarHBondContact OD1-N 3.03Å; N28-S30 VanDerWaalsContact OD1-N 3.12Å; S30-A34 WeakPolarHBondContact O-CB 3.12Å; S30-A34 PolarHBondContact O-N 3.19Å
31I98.6Very high98.6Very high31 Ų3153.5 Ų53.516%0.15933%0.325CS..Hα-helixtrans-63.7-50175.8-72.2177.3000110.4D6 S8 N28 A33 A34 G35D6-I31 HydrophobicContact CB-CD1 4.29Å; D6-I31 VanDerWaalsContact CG-CD1 3.47Å; D6-I31 WeakPolarHBondContact OD1-CD1 3.38Å; S8-I31 WeakPolarHBondContact OG-CG2 3.3Å; S8-I31 PolarHBondContact OG-O 3.26Å; N28-I31 WeakPolarHBondContact ND2-CD1 3.49Å; N28-I31 WeakPolarHBondContact ND2-CG1 3.41Å; N28-I31 WeakPolarHBondContact O-CB 3.26Å; N28-I31 PolarHBondContact O-N 2.92Å; N28-I31 VanDerWaalsContact O-N 3.08Å; N28-I31 WeakPolarHBondContact OD1-CG1 3.38Å; N28-I31 PolarHBondContact OD1-N 3.32Å; I31-A33 VanDerWaalsContact C-N 3.34Å; I31-A33 PolarHBondContact O-N 3.3Å; I31-A34 PolarHBondContact O-N 3.49Å; I31-G35 PolarHBondContact O-N 2.88Å; I31-G35 VanDerWaalsContact O-N 3.11Å
32I98.7Very high98.6Very high21 Ų2148.1 Ų48.111%0.10829%0.29CS..Hα-helixtrans-59.3-45.6178-62.9-65.9000111T27 N28 P29 A34 G35 K36 L39 V42T27-I32 HydrophobicContact CG2-CD1 3.8Å; N28-I32 WeakPolarHBondContact O-CG1 3.34Å; N28-I32 PolarHBondContact O-N 3.28Å; P29-I32 PolarHBondContact O-N 3.32Å; I32-A34 VanDerWaalsContact C-N 3.34Å; I32-A34 PolarHBondContact O-N 2.66Å; I32-G35 PolarHBondContact O-N 3.42Å; I32-G35 VanDerWaalsContact O-N 3.1Å; I32-K36 PolarHBondContact O-N 2.83Å; I32-L39 HydrophobicContact CD1-CD2 3.91Å; I32-L39 HydrophobicContact CG1-CD2 3.94Å; I32-L39 HydrophobicContact CG2-CD2 4.09Å; I32-V42 HydrophobicContact CD1-CG1 3.73Å
33A98.4Very high98.6Very high71 Ų7146.9 Ų46.959%0.58728%0.283SS*.Hα-helixtrans-61-41.5178.800000112.2P29 I31 G35 K36P29-A33 VanDerWaalsContact O-CB 3.23Å; P29-A33 WeakPolarHBondContact O-CB 3.26Å; P29-A33 PolarHBondContact O-N 2.91Å; I31-A33 VanDerWaalsContact C-N 3.34Å; I31-A33 PolarHBondContact O-N 3.3Å; A33-G35 VanDerWaalsContact C-N 3.26Å; A33-G35 PolarHBondContact O-N 3.4Å; A33-K36 PolarHBondContact O-N 3.11Å; A33-K36 VanDerWaalsContact O-N 3.12Å
34A98.1Very high98.6Very high81 Ų8148 Ų4867%0.66929%0.289SS*.Hα-helixtrans-62.7-33.5175.300000112.4S30 I31 I32 K36S30-A34 WeakPolarHBondContact O-CB 3.12Å; S30-A34 PolarHBondContact O-N 3.19Å; I31-A34 PolarHBondContact O-N 3.49Å; I32-A34 VanDerWaalsContact C-N 3.34Å; I32-A34 PolarHBondContact O-N 2.66Å; A34-K36 VanDerWaalsContact C-N 3.28Å; A34-K36 PolarHBondContact O-N 2.92Å
35G98Very high98.6Very high30 Ų3050.8 Ų50.831%0.30930%0.301SS..Hα-helixtrans-72.8-12.2175.100000115.2I31 I32 A33 K37I31-G35 PolarHBondContact O-N 2.88Å; I31-G35 VanDerWaalsContact O-N 3.11Å; I32-G35 PolarHBondContact O-N 3.42Å; I32-G35 VanDerWaalsContact O-N 3.1Å; A33-G35 VanDerWaalsContact C-N 3.26Å; A33-G35 PolarHBondContact O-N 3.4Å; G35-K37 PolarHBondContact O-N 3.16Å
36K98.3Very high98.6Very high195 Ų19550.8 Ų50.885%0.84830%0.301SS*.THydrogen-bonded Turntrans54.421.8177.2-57.5-179.6-177.9177.80115.3I32 A33 A34I32-K36 PolarHBondContact O-N 2.83Å; A33-K36 PolarHBondContact O-N 3.11Å; A33-K36 VanDerWaalsContact O-N 3.12Å; A34-K36 VanDerWaalsContact C-N 3.28Å; A34-K36 PolarHBondContact O-N 2.92Å
37K98.3Very high98.6Very high89 Ų8953.5 Ų53.539%0.38731%0.314SS..  trans-120.2136.3177.8-70.2175.7179.3179.80109.6G35 V41 V42G35-K37 PolarHBondContact O-N 3.16Å; K37-V41 HydrophobicContact CD-CG1 4.43Å; K37-V42 HydrophobicContact CB-CB 3.96Å; K37-V42 HydrophobicContact CB-CG2 4.48Å
38P98.4Very high98.6Very high76 Ų7660.7 Ų60.749%0.49435%0.347SS..  trans-68161.4175.931.2-35.8000111.4D40 V41 V42P38-D40 VanDerWaalsContact C-N 3.34Å; P38-D40 VanDerWaalsContact CB-OD1 3.28Å; P38-D40 WeakPolarHBondContact CB-OD1 3.45Å; P38-D40 VanDerWaalsContact CG-OD1 3.26Å; P38-D40 WeakPolarHBondContact CG-OD1 3.49Å; P38-D40 PolarHBondContact O-N 3.39Å; P38-V41 HydrophobicContact CG-CB 4.17Å; P38-V41 HydrophobicContact CG-CG2 3.83Å; P38-V41 PolarHBondContact O-N 3.28Å; P38-V41 VanDerWaalsContact O-N 3.1Å; P38-V42 WeakPolarHBondContact O-CG1 3.38Å; P38-V42 PolarHBondContact O-N 3.48Å
39L98.7Very high98.5Very high56 Ų5660.1 Ų60.129%0.29335%0.346SS..Hα-helixtrans-60.1-40.4-172.7-69.6168.9000113.1I32 V41 L43 L75 I78I32-L39 HydrophobicContact CD1-CD2 3.91Å; I32-L39 HydrophobicContact CG1-CD2 3.94Å; I32-L39 HydrophobicContact CG2-CD2 4.09Å; L39-V41 PolarHBondContact O-N 3.07Å; L39-L43 HydrophobicContact CB-CD1 4.08Å; L39-L43 HydrophobicContact CB-CG 4.43Å; L39-L43 HydrophobicContact CD2-CD1 4.09Å; L39-L43 HydrophobicContact CD2-CD2 4.47Å; L39-L43 HydrophobicContact CD2-CG 4.23Å; L39-L43 VanDerWaalsContact O-CB 3.27Å; L39-L43 WeakPolarHBondContact O-CB 3.06Å; L39-L43 VanDerWaalsContact O-CG 3.24Å; L39-L43 WeakPolarHBondContact O-CG 3.35Å; L39-L43 PolarHBondContact O-N 2.96Å; L39-L75 HydrophobicContact CD1-CD2 3.89Å; L39-I78 HydrophobicContact CB-CD1 4.1Å
40D98.5Very high98.5Very high100 Ų10059.3 Ų59.354%0.53534%0.339SS..Hα-helixtrans-65.6-17.6178.359.4-14.1000113.6P38 P44 I78P38-D40 VanDerWaalsContact C-N 3.34Å; P38-D40 VanDerWaalsContact CB-OD1 3.28Å; P38-D40 WeakPolarHBondContact CB-OD1 3.45Å; P38-D40 VanDerWaalsContact CG-OD1 3.26Å; P38-D40 WeakPolarHBondContact CG-OD1 3.49Å; P38-D40 PolarHBondContact O-N 3.39Å; D40-P44 WeakPolarHBondContact O-CD 3.24Å; D40-P44 WeakPolarHBondContact O-CG 3.25Å; D40-I78 HydrophobicContact CB-CD1 4.24Å; D40-I78 HydrophobicContact CB-CG1 4.48Å
41V98.8Very high98.5Very high59 Ų5958.2 Ų58.236%0.35834%0.341SS..Hα-helixtrans-97.4-49.9173.3175.60000111.3K37 P38 L39 Q45K37-V41 HydrophobicContact CD-CG1 4.43Å; P38-V41 HydrophobicContact CG-CB 4.17Å; P38-V41 HydrophobicContact CG-CG2 3.83Å; P38-V41 PolarHBondContact O-N 3.28Å; P38-V41 VanDerWaalsContact O-N 3.1Å; L39-V41 PolarHBondContact O-N 3.07Å; V41-Q45 VanDerWaalsContact O-CG 3.25Å; V41-Q45 WeakPolarHBondContact O-CG 3.42Å; V41-Q45 PolarHBondContact O-N 2.83Å
42V98.8Very high98.4Very high2 Ų258.7 Ų58.71%0.01235%0.353CS..Hα-helixtrans-78-33.7-169.873.10000113.1V10 I32 K37 P38 Q45 L46V10-V42 HydrophobicContact CG2-CG2 4.18Å; I32-V42 HydrophobicContact CD1-CG1 3.73Å; K37-V42 HydrophobicContact CB-CB 3.96Å; K37-V42 HydrophobicContact CB-CG2 4.48Å; P38-V42 WeakPolarHBondContact O-CG1 3.38Å; P38-V42 PolarHBondContact O-N 3.48Å; V42-Q45 PolarHBondContact O-N 3.2Å; V42-L46 HydrophobicContact CG2-CD1 4.22Å; V42-L46 HydrophobicContact CG2-CG 4.31Å; V42-L46 VanDerWaalsContact O-CG 3.29Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 2.76Å
43L98.8Very high98.2Very high0 Ų064.7 Ų64.70%038%0.381CS..Hα-helixtrans-66.5-45.9-179.4-61.4175.9000112.1T27 L39 Q45 L46 H47 L56 A58 L75 I78 I79 I82T27-L43 HydrophobicContact CG2-CD2 4.48Å; L39-L43 HydrophobicContact CB-CD1 4.08Å; L39-L43 HydrophobicContact CB-CG 4.43Å; L39-L43 HydrophobicContact CD2-CD1 4.09Å; L39-L43 HydrophobicContact CD2-CD2 4.47Å; L39-L43 HydrophobicContact CD2-CG 4.23Å; L39-L43 VanDerWaalsContact O-CB 3.27Å; L39-L43 WeakPolarHBondContact O-CB 3.06Å; L39-L43 VanDerWaalsContact O-CG 3.24Å; L39-L43 WeakPolarHBondContact O-CG 3.35Å; L39-L43 PolarHBondContact O-N 2.96Å; L43-Q45 VanDerWaalsContact C-N 3.31Å; L43-Q45 PolarHBondContact O-N 2.95Å; L43-L46 PolarHBondContact O-N 3.37Å; L43-H47 PolarHBondContact O-N 3.1Å; L43-L56 WeakPolarHBondContact O-CD1 3.34Å; L43-A58 HydrophobicContact CD1-CB 4.25Å; L43-A58 HydrophobicContact CD2-CB 4.22Å; L43-L75 HydrophobicContact CD1-CD2 4.14Å; L43-I78 HydrophobicContact CB-CG2 4.11Å; L43-I78 HydrophobicContact CD1-CG2 4.26Å; L43-I79 HydrophobicContact CB-CD1 4.34Å; L43-I79 HydrophobicContact CB-CG1 3.79Å; L43-I82 HydrophobicContact CD1-CD1 3.84Å; L43-I82 HydrophobicContact CD2-CD1 4.27Å
44P98.7Very high98.1Very high53 Ų5362.8 Ų62.834%0.34437%0.368SS..Hα-helixtrans-61-38.3172.6-25.937000113.1D40 L46 H47 E48 I78 I79D40-P44 WeakPolarHBondContact O-CD 3.24Å; D40-P44 WeakPolarHBondContact O-CG 3.25Å; P44-L46 PolarHBondContact O-N 2.68Å; P44-H47 PolarHBondContact O-N 3.45Å; P44-E48 PolarHBondContact O-N 3.32Å; P44-I78 HydrophobicContact CG-CG2 4.02Å; P44-I79 HydrophobicContact CG-CD1 4.47Å
45Q98.8Very high98.1Very high57 Ų5762 Ų6227%0.26635%0.348SS..Hα-helixtrans-63.6-40.6176.7-74.4176.72.900112.4V10 V41 V42 L43 E48 A49V10-Q45 HydrophobicContact CG1-CB 3.98Å; V10-Q45 HydrophobicContact CG2-CB 3.69Å; V41-Q45 VanDerWaalsContact O-CG 3.25Å; V41-Q45 WeakPolarHBondContact O-CG 3.42Å; V41-Q45 PolarHBondContact O-N 2.83Å; V42-Q45 PolarHBondContact O-N 3.2Å; L43-Q45 VanDerWaalsContact C-N 3.31Å; L43-Q45 PolarHBondContact O-N 2.95Å; Q45-E48 PolarHBondContact O-N 3.39Å; Q45-A49 VanDerWaalsContact O-CB 3.29Å; Q45-A49 WeakPolarHBondContact O-CB 3.44Å; Q45-A49 PolarHBondContact O-N 3.46Å
46L98.9Very high98.2Very high0 Ų060.7 Ų60.70%033%0.334CS..Hα-helixtrans-65.7-40.2175.2-70.8169.6000111.5V10 V13 V25 T27 V42 L43 P44 A49 M50 L56V10-L46 HydrophobicContact CG2-CD2 4.02Å; V10-L46 HydrophobicContact CG2-CG 4.25Å; V13-L46 HydrophobicContact CB-CD2 4.32Å; V13-L46 HydrophobicContact CG2-CD2 3.84Å; V25-L46 HydrophobicContact CG1-CD1 4.4Å; V25-L46 HydrophobicContact CG1-CD2 4.4Å; T27-L46 HydrophobicContact CG2-CD1 3.85Å; V42-L46 HydrophobicContact CG2-CD1 4.22Å; V42-L46 HydrophobicContact CG2-CG 4.31Å; V42-L46 VanDerWaalsContact O-CG 3.29Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 2.76Å; L43-L46 PolarHBondContact O-N 3.37Å; P44-L46 PolarHBondContact O-N 2.68Å; L46-A49 PolarHBondContact O-N 3.24Å; L46-M50 WeakPolarHBondContact O-CG 3.43Å; L46-M50 PolarHBondContact O-N 2.85Å; L46-M50 VanDerWaalsContact O-N 3.12Å; L46-L56 HydrophobicContact CB-CD1 4.37Å; L46-L56 HydrophobicContact CB-CD2 4.05Å
47H98.7Very high98.2Very high58 Ų5851.4 Ų51.427%0.26929%0.293SS..Hα-helixtrans-62.7-44.1176-172.5-120.5000111.6L43 P44 M50 G51 G52 L56 I79L43-H47 PolarHBondContact O-N 3.1Å; P44-H47 PolarHBondContact O-N 3.45Å; H47-M50 PolarHBondContact O-N 2.89Å; H47-G51 PolarHBondContact O-N 2.95Å; H47-G52 PolarHBondContact NE2-O 3.2Å; H47-G52 WeakPolarHBondContact O-CA 3.27Å; H47-G52 PolarHBondContact O-N 2.9Å; H47-L56 HydrophobicContact CB-CD1 3.89Å; H47-I79 HydrophobicContact CB-CD1 4.19Å
48E98.6Very high98.2Very high151 Ų15147.1 Ų47.171%0.70628%0.275SS*.Hα-helixtrans-64.5-41.6174.4-174.8-174.3-16900112.2P44 Q45 M50 G51P44-E48 PolarHBondContact O-N 3.32Å; Q45-E48 PolarHBondContact O-N 3.39Å; E48-M50 PolarHBondContact O-N 3.39Å; E48-G51 WeakPolarHBondContact O-CA 3.35Å; E48-G51 PolarHBondContact O-N 3.41Å
49A98.5Very high98.2Very high10 Ų1045.1 Ų45.18%0.08326%0.259CS..Hα-helixtrans-62.8-24.6177.700000113.2V10 V13 K14 Q45 L46 G51V10-A49 HydrophobicContact CG1-CB 3.9Å; V13-A49 HydrophobicContact CB-CB 4.33Å; V13-A49 HydrophobicContact CG1-CB 3.89Å; K14-A49 HydrophobicContact CB-CB 4.11Å; Q45-A49 VanDerWaalsContact O-CB 3.29Å; Q45-A49 WeakPolarHBondContact O-CB 3.44Å; Q45-A49 PolarHBondContact O-N 3.46Å; L46-A49 PolarHBondContact O-N 3.24Å; A49-G51 VanDerWaalsContact C-N 3.31Å
50M98.4Very high98.3Very high22 Ų2242.6 Ų42.611%0.10825%0.246CC..THydrogen-bonded Turntrans-88.99.7171.2-69.6-61.1-63.300113.4V13 L22 V25 L46 H47 E48 Q53V13-M50 HydrophobicContact CG1-CG 3.77Å; V13-M50 HydrophobicContact CG1-SD 3.55Å; V13-M50 VanDerWaalsContact CG1-SD 3.55Å; L22-M50 HydrophobicContact CB-CE 3.54Å; L22-M50 HydrophobicContact CB-SD 4.46Å; L22-M50 HydrophobicContact CD1-CE 4.18Å; L22-M50 HydrophobicContact CD1-SD 4.01Å; V25-M50 HydrophobicContact CG2-CG 4.13Å; V25-M50 HydrophobicContact CG2-SD 4.19Å; L46-M50 WeakPolarHBondContact O-CG 3.43Å; L46-M50 PolarHBondContact O-N 2.85Å; L46-M50 VanDerWaalsContact O-N 3.12Å; H47-M50 PolarHBondContact O-N 2.89Å; E48-M50 PolarHBondContact O-N 3.39Å; M50-Q53 WeakPolarHBondContact CB-O 3.35Å; M50-Q53 PolarHBondContact O-N 3.47Å
51G97.5Very high98.3Very high61 Ų6144.1 Ų44.163%0.62925%0.251SS*.THydrogen-bonded Turntrans73.324.4178.900000114.2H47 E48 A49 Q53H47-G51 PolarHBondContact O-N 2.95Å; E48-G51 WeakPolarHBondContact O-CA 3.35Å; E48-G51 PolarHBondContact O-N 3.41Å; A49-G51 VanDerWaalsContact C-N 3.31Å; G51-Q53 PolarHBondContact O-N 3.26Å
52G96.1Very high98.3Very high40 Ų4042.6 Ų42.641%0.41225%0.245SC..THydrogen-bonded Turntrans69.516.7-174.200000113.5H47H47-G52 PolarHBondContact NE2-O 3.2Å; H47-G52 WeakPolarHBondContact O-CA 3.27Å; H47-G52 PolarHBondContact O-N 2.9Å
53Q94.5Very high98.2Very high148 Ų14848.1 Ų48.169%0.69228%0.279SS*.  trans-120.6170.4175.3-60.2-179.730.800109.5M50 G51M50-Q53 WeakPolarHBondContact CB-O 3.35Å; M50-Q53 PolarHBondContact O-N 3.47Å; G51-Q53 PolarHBondContact O-N 3.26Å
54G96.8Very high98.2Very high31 Ų3151.3 Ų51.332%0.3230%0.299SS..SBendtrans81152.1178.200000113.5A23A23-G54 CarbonylContact O-C 3.55Å; A23-G54 VanDerWaalsContact O-CA 3.23Å; A23-G54 WeakPolarHBondContact O-CA 3.29Å
55R98.7Very high98.3Very high64 Ų6448.9 Ų48.924%0.24228%0.283CS..EExtended strand (participates in β ladder)trans-92.5132.2-172.4-179142.1-87.9-155.2-3.1111.5Y4 A23 G24 V25 F57 D81 V83Y4-R55 HydrophobicContact CE1-CB 4.3Å; A23-R55 PolarHBondContact O-N 3.33Å; G24-R55 VanDerWaalsContact CA-O 3.29Å; G24-R55 WeakPolarHBondContact CA-O 3.47Å; V25-R55 PolarHBondContact N-O 3.47Å; V25-R55 VanDerWaalsContact N-O 3.08Å; R55-F57 HydrophobicContact CB-CE2 4.23Å; R55-F57 HydrophobicContact CG-CD2 4.32Å; R55-F57 HydrophobicContact CG-CE2 3.69Å; R55-F57 HydrophobicContact CG-CZ 4.03Å; R55-D81 IonicContact CZ-OD2 3.7Å; R55-D81 IonicContact NE-OD2 3.09Å; R55-D81 PolarHBondContact NH2-O 3.01Å; R55-D81 IonicContact NH2-OD2 3.75Å; R55-D81 PolarHBondContact NH2-OD2 3.2Å; R55-D81 VanDerWaalsContact NH2-OD2 3.12Å; R55-V83 HydrophobicContact CG-CG2 3.92Å
56L98.9Very high98.3Very high2 Ų251.5 Ų51.51%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-97.7148.8174-68.2-177.5000111.9V25 L43 L46 H47 I79 I82 V83V25-L56 HydrophobicContact CB-CD2 3.77Å; V25-L56 HydrophobicContact CG2-CD2 4.49Å; V25-L56 WeakPolarHBondContact O-CA 3.38Å; L43-L56 WeakPolarHBondContact O-CD1 3.34Å; L46-L56 HydrophobicContact CB-CD1 4.37Å; L46-L56 HydrophobicContact CB-CD2 4.05Å; H47-L56 HydrophobicContact CB-CD1 3.89Å; L56-I79 HydrophobicContact CD1-CD1 4.25Å; L56-I79 HydrophobicContact CD1-CG1 4.09Å; L56-I79 HydrophobicContact CD1-CG2 4.4Å; L56-I82 HydrophobicContact CB-CD1 4.18Å; L56-I82 HydrophobicContact CB-CG1 3.93Å; L56-I82 VanDerWaalsContact O-CG1 3.23Å; L56-I82 WeakPolarHBondContact O-CG1 3.19Å; L56-V83 PolarHBondContact O-N 2.9Å
57F98.9Very high98.3Very high0 Ų052.2 Ų52.20%030%0.302CS..EExtended strand (participates in β ladder)trans-129.8132.8172.7-56.7-115.4000110.4Y4 V25 T26 T27 R55 V83 K85 L107 Y127 L163Y4-F57 AromaticContact CD1-CE2 3.94Å; Y4-F57 HydrophobicContact CD1-CE2 3.94Å; Y4-F57 HydrophobicContact CE1-CD2 4.44Å; Y4-F57 AromaticContact CE1-CE2 3.49Å; Y4-F57 HydrophobicContact CE1-CE2 3.49Å; Y4-F57 VanDerWaalsContact CE1-CE2 3.49Å; Y4-F57 HydrophobicContact CE1-CZ 4.2Å; Y4-F57 HydrophobicContact CE2-CE2 4.28Å; Y4-F57 HydrophobicContact CE2-CZ 4.33Å; Y4-F57 AromaticContact CZ-CE2 3.67Å; Y4-F57 AromaticContact CZ-CZ 3.89Å; V25-F57 PolarHBondContact O-N 3.35Å; V25-F57 VanDerWaalsContact O-N 3.11Å; T26-F57 HydrophobicContact CG2-CB 4.03Å; T26-F57 HydrophobicContact CG2-CD2 3.64Å; T26-F57 HydrophobicContact CG2-CE2 4.23Å; T26-F57 HydrophobicContact CG2-CG 3.86Å; T27-F57 PolarHBondContact N-O 3Å; T27-F57 PolarHBondContact OG1-O 3.41Å; R55-F57 HydrophobicContact CB-CE2 4.23Å; R55-F57 HydrophobicContact CG-CD2 4.32Å; R55-F57 HydrophobicContact CG-CE2 3.69Å; R55-F57 HydrophobicContact CG-CZ 4.03Å; F57-V83 WeakPolarHBondContact CA-O 3.29Å; F57-V83 HydrophobicContact CD1-CB 3.43Å; F57-V83 VanDerWaalsContact CD1-CB 3.43Å; F57-V83 HydrophobicContact CD1-CG1 3.5Å; F57-V83 VanDerWaalsContact CD1-CG1 3.5Å; F57-V83 HydrophobicContact CD1-CG2 4.24Å; F57-V83 HydrophobicContact CE1-CB 3.58Å; F57-V83 HydrophobicContact CE1-CG1 3.53Å; F57-V83 HydrophobicContact CE1-CG2 3.91Å; F57-V83 HydrophobicContact CG-CB 4.05Å; F57-V83 HydrophobicContact CZ-CB 4.3Å; F57-V83 HydrophobicContact CZ-CG2 4.23Å; F57-K85 HydrophobicContact CB-CD 3.81Å; F57-K85 HydrophobicContact CB-CG 3.91Å; F57-L107 HydrophobicContact CD1-CB 4.23Å; F57-L107 HydrophobicContact CD1-CD1 3.6Å; F57-L107 HydrophobicContact CE1-CB 4.48Å; F57-L107 HydrophobicContact CE1-CD1 3.74Å; F57-Y127 AromaticContact CE1-CD2 3.81Å; F57-Y127 HydrophobicContact CE1-CD2 3.81Å; F57-Y127 HydrophobicContact CE1-CE2 4.13Å; F57-Y127 HydrophobicContact CE1-CG 4.12Å; F57-Y127 HydrophobicContact CZ-CD2 4.34Å; F57-Y127 HydrophobicContact CZ-CE2 4.25Å; F57-L163 HydrophobicContact CE1-CD1 3.92Å; F57-L163 HydrophobicContact CE2-CD1 4.39Å; F57-L163 HydrophobicContact CZ-CD1 3.82Å
58A98.9Very high98.3Very high0 Ų049.8 Ų49.80%029%0.291CS..EExtended strand (participates in β ladder)trans-139.3152.2175.700000111.1T27 L43 L75 I82 V83 K85T27-A58 WeakPolarHBondContact OG1-CA 3.38Å; L43-A58 HydrophobicContact CD1-CB 4.25Å; L43-A58 HydrophobicContact CD2-CB 4.22Å; A58-L75 HydrophobicContact CB-CD1 4.15Å; A58-L75 HydrophobicContact CB-CD2 3.78Å; A58-I82 HydrophobicContact CB-CD1 3.57Å; A58-V83 PolarHBondContact N-O 3.19Å; A58-K85 PolarHBondContact O-N 3.33Å
59Q98.9Very high98.3Very high34 Ų3442.9 Ų42.916%0.15926%0.259CS..EExtended strand (participates in β ladder)trans-103.1141.5-170.6-160-175.8-69.100112.7P29 K85 P87 T109P29-Q59 HydrophobicContact CG-CB 4.07Å; P29-Q59 HydrophobicContact CG-CG 4.43Å; Q59-K85 WeakPolarHBondContact CA-O 3.2Å; Q59-K85 HydrophobicContact CB-CB 3.94Å; Q59-K85 HydrophobicContact CG-CB 3.9Å; Q59-K85 VanDerWaalsContact CG-O 3.26Å; Q59-K85 WeakPolarHBondContact CG-O 3.36Å; Q59-P87 HydrophobicContact CG-CG 4.49Å; Q59-T109 HydrophobicContact CG-CG2 4.19Å
60V98.9Very high98.3Very high3 Ų346.1 Ų46.12%0.01828%0.275CS..  trans-64.9157.2167.3-57.50000111.5M68 D71 V84 K85 V86V60-M68 HydrophobicContact CB-CB 4.28Å; V60-M68 HydrophobicContact CB-CG 4.23Å; V60-M68 HydrophobicContact CG1-CB 4.3Å; V60-M68 WeakPolarHBondContact CG1-O 3.42Å; V60-M68 HydrophobicContact CG2-CB 4.09Å; V60-M68 HydrophobicContact CG2-CG 3.71Å; V60-M68 HydrophobicContact CG2-SD 4.08Å; V60-D71 HydrophobicContact CB-CB 3.97Å; V60-D71 HydrophobicContact CG1-CB 3.89Å; V60-V84 HydrophobicContact CG1-CG1 3.46Å; V60-V84 VanDerWaalsContact CG1-CG1 3.46Å; V60-K85 PolarHBondContact N-O 3.38Å; V60-K85 VanDerWaalsContact N-O 3.1Å; V60-V86 HydrophobicContact CG1-CG2 4.45Å; V60-V86 HydrophobicContact CG2-CG1 4.47Å; V60-V86 HydrophobicContact CG2-CG2 4.39Å
61M98.7Very high98.3Very high131 Ų13146.6 Ų46.665%0.64528%0.278SS*.  trans-118.2-27.7179-69.6-59.1-60.700113.1P29 D71P29-M61 HydrophobicContact CB-CE 4.38Å; P29-M61 HydrophobicContact CB-SD 3.65Å; P29-M61 HydrophobicContact CG-SD 3.43Å; P29-M61 WeakPolarHBondContact CG-SD 3.45Å; M61-D71 PolarHBondContact N-OD2 3.19Å
62A98.7Very high98.4Very high28 Ų2843.7 Ų43.723%0.23125%0.248CC..  trans-59.6155.5178.500000113.1G67 M68 D71A62-G67 WeakPolarHBondContact CB-O 3.4Å; A62-M68 HydrophobicContact CB-CG 4.28Å; A62-M68 WeakPolarHBondContact O-CE 3.47Å; A62-M68 WeakPolarHBondContact O-CG 3.47Å; A62-D71 WeakPolarHBondContact CB-OD2 3.44Å; A62-D71 PolarHBondContact N-OD2 3.05Å
63T98.5Very high98.5Very high118 Ų11847.5 Ų47.572%0.72425%0.25SS*.SBendtrans-103.7-14.7-175.553.20000114.2E91T63-E91 WeakPolarHBondContact O-CB 3.38Å; T63-E91 WeakPolarHBondContact O-CG 3.38Å
64T98.8Very high98.7Very high67 Ų6746.6 Ų46.641%0.41124%0.244SC..SBendtrans-105.2155.5174.268.50000111.2E66 G67 M68 E91T64-E66 PolarHBondContact O-N 2.85Å; T64-G67 PolarHBondContact O-N 3.33Å; T64-G67 VanDerWaalsContact O-N 3.14Å; T64-G67 PolarHBondContact OG1-N 3.26Å; T64-M68 WeakPolarHBondContact O-CG 3.49Å; T64-M68 PolarHBondContact O-N 3.34Å; T64-E91 WeakPolarHBondContact CA-OE2 3.28Å
65A98.9Very high98.8Very high1 Ų145.4 Ų45.41%0.00823%0.23CC..Hα-helixtrans-57.7-47-178.500000112.6G67 M68 V69 E91 A94 A95 M98A65-G67 VanDerWaalsContact C-N 3.3Å; A65-G67 PolarHBondContact O-N 2.68Å; A65-M68 PolarHBondContact O-N 2.85Å; A65-V69 WeakPolarHBondContact O-CG2 3.37Å; A65-V69 PolarHBondContact O-N 3.23Å; A65-E91 PolarHBondContact N-OE2 3.13Å; A65-A94 HydrophobicContact CB-CB 3.75Å; A65-A95 HydrophobicContact CB-CB 4.32Å; A65-M98 HydrophobicContact CB-CE 3.89Å; A65-M98 HydrophobicContact CB-SD 4.09Å
66E98.9Very high98.8Very high112 Ų11245.6 Ų45.652%0.52323%0.231SC..Hα-helixtrans-64.2-37.7178-60.675.7-165.800111.4T64 V69 N70T64-E66 PolarHBondContact O-N 2.85Å; E66-V69 PolarHBondContact O-N 2.9Å; E66-N70 VanDerWaalsContact O-CG 3.3Å; E66-N70 PolarHBondContact O-N 2.85Å; E66-N70 PolarHBondContact O-ND2 3.3Å
67G98.9Very high98.8Very high15 Ų1550.2 Ų50.216%0.15526%0.263CS..Hα-helixtrans-63.2-43.6174.500000111.8A62 T64 A65 V69 N70 D71A62-G67 WeakPolarHBondContact CB-O 3.4Å; T64-G67 PolarHBondContact O-N 3.33Å; T64-G67 VanDerWaalsContact O-N 3.14Å; T64-G67 PolarHBondContact OG1-N 3.26Å; A65-G67 VanDerWaalsContact C-N 3.3Å; A65-G67 PolarHBondContact O-N 2.68Å; G67-V69 VanDerWaalsContact C-N 3.34Å; G67-V69 PolarHBondContact O-N 2.83Å; G67-N70 WeakPolarHBondContact O-CB 3.4Å; G67-N70 PolarHBondContact O-N 3.31Å; G67-D71 PolarHBondContact O-N 3.43Å
68M98.9Very high98.8Very high7 Ų752.8 Ų52.83%0.03428%0.276CS..Hα-helixtrans-65-37.7177.2-68-179.7-17100111.6V60 A62 T64 A65 D71 A72 V86 E91 A95V60-M68 HydrophobicContact CB-CB 4.28Å; V60-M68 HydrophobicContact CB-CG 4.23Å; V60-M68 HydrophobicContact CG1-CB 4.3Å; V60-M68 WeakPolarHBondContact CG1-O 3.42Å; V60-M68 HydrophobicContact CG2-CB 4.09Å; V60-M68 HydrophobicContact CG2-CG 3.71Å; V60-M68 HydrophobicContact CG2-SD 4.08Å; A62-M68 HydrophobicContact CB-CG 4.28Å; A62-M68 WeakPolarHBondContact O-CE 3.47Å; A62-M68 WeakPolarHBondContact O-CG 3.47Å; T64-M68 WeakPolarHBondContact O-CG 3.49Å; T64-M68 PolarHBondContact O-N 3.34Å; A65-M68 PolarHBondContact O-N 2.85Å; M68-D71 PolarHBondContact O-N 2.98Å; M68-A72 WeakPolarHBondContact O-CB 3.41Å; M68-A72 PolarHBondContact O-N 2.86Å; M68-V86 HydrophobicContact SD-CG1 3.74Å; M68-E91 HydrophobicContact CE-CB 4.31Å; M68-A95 HydrophobicContact CB-CB 3.73Å; M68-A95 HydrophobicContact CG-CB 4.42Å; M68-A95 HydrophobicContact SD-CB 3.85Å
69V98.9Very high98.8Very high6 Ų653.4 Ų53.44%0.03628%0.28CS..Hα-helixtrans-63.6-41.2173172.50000111.1A65 E66 G67 A72 R73 M98 L99 E102A65-V69 WeakPolarHBondContact O-CG2 3.37Å; A65-V69 PolarHBondContact O-N 3.23Å; E66-V69 PolarHBondContact O-N 2.9Å; G67-V69 VanDerWaalsContact C-N 3.34Å; G67-V69 PolarHBondContact O-N 2.83Å; V69-A72 WeakPolarHBondContact O-CB 3.37Å; V69-A72 PolarHBondContact O-N 2.77Å; V69-R73 WeakPolarHBondContact O-CG 3.4Å; V69-R73 PolarHBondContact O-N 3.27Å; V69-M98 HydrophobicContact CG2-CB 3.71Å; V69-M98 HydrophobicContact CG2-CG 4.47Å; V69-M98 HydrophobicContact CG2-SD 3.92Å; V69-L99 HydrophobicContact CB-CD2 4.48Å; V69-L99 HydrophobicContact CG1-CD2 4.37Å; V69-L99 HydrophobicContact CG2-CD2 4.18Å; V69-L99 HydrophobicContact CG2-CG 4.17Å; V69-E102 VanDerWaalsContact CG1-OE1 3.3Å; V69-E102 WeakPolarHBondContact CG1-OE1 3.23Å
70N98.9Very high98.8Very high78 Ų7855.5 Ų55.542%0.41730%0.303SS..Hα-helixtrans-64-41.6174.9-72-32.7000112.4E66 G67 A72 R73 K74E66-N70 VanDerWaalsContact O-CG 3.3Å; E66-N70 PolarHBondContact O-N 2.85Å; E66-N70 PolarHBondContact O-ND2 3.3Å; G67-N70 WeakPolarHBondContact O-CB 3.4Å; G67-N70 PolarHBondContact O-N 3.31Å; N70-A72 VanDerWaalsContact C-N 3.35Å; N70-R73 PolarHBondContact O-N 3.37Å; N70-K74 WeakPolarHBondContact O-CG 3.32Å; N70-K74 PolarHBondContact O-N 2.84Å; N70-K74 VanDerWaalsContact O-N 3.13Å
71D98.9Very high98.7Very high32 Ų3258.2 Ų58.217%0.17132%0.317CS..Hα-helixtrans-62.2-42.6173.6-77.6-5.3000111.5V60 M61 A62 G67 M68 R73 K74 L75V60-D71 HydrophobicContact CB-CB 3.97Å; V60-D71 HydrophobicContact CG1-CB 3.89Å; M61-D71 PolarHBondContact N-OD2 3.19Å; A62-D71 WeakPolarHBondContact CB-OD2 3.44Å; A62-D71 PolarHBondContact N-OD2 3.05Å; G67-D71 PolarHBondContact O-N 3.43Å; M68-D71 PolarHBondContact O-N 2.98Å; D71-R73 VanDerWaalsContact C-N 3.34Å; D71-R73 PolarHBondContact O-N 2.9Å; D71-K74 WeakPolarHBondContact O-CB 3.41Å; D71-K74 PolarHBondContact O-N 3.41Å; D71-K74 IonicContact OD1-NZ 2.6Å; D71-L75 WeakPolarHBondContact O-CG 3.45Å; D71-L75 PolarHBondContact O-N 3.2Å
72A98.9Very high98.7Very high0 Ų052 Ų520%029%0.286CS..Hα-helixtrans-58-44.8176.700000112.1M68 V69 N70 K74 L75 R76 V84 L99M68-A72 WeakPolarHBondContact O-CB 3.41Å; M68-A72 PolarHBondContact O-N 2.86Å; V69-A72 WeakPolarHBondContact O-CB 3.37Å; V69-A72 PolarHBondContact O-N 2.77Å; N70-A72 VanDerWaalsContact C-N 3.35Å; A72-K74 PolarHBondContact O-N 2.95Å; A72-L75 PolarHBondContact O-N 3.15Å; A72-R76 WeakPolarHBondContact O-CG 3.49Å; A72-R76 PolarHBondContact O-N 3.25Å; A72-V84 HydrophobicContact CB-CB 4.33Å; A72-V84 HydrophobicContact CB-CG1 3.85Å; A72-V84 HydrophobicContact CB-CG2 3.94Å; A72-L99 HydrophobicContact CB-CD1 4.01Å; A72-L99 HydrophobicContact CB-CD2 3.42Å; A72-L99 VanDerWaalsContact CB-CD2 3.42Å; A72-L99 HydrophobicContact CB-CG 4.38Å
73R98.7Very high98.7Very high121 Ų12150.6 Ų50.646%0.45728%0.275SS..Hα-helixtrans-63.2-40176.5-68.9172.5-174.6160.3-3.8112V69 N70 D71 R76 S77 E102 I104V69-R73 WeakPolarHBondContact O-CG 3.4Å; V69-R73 PolarHBondContact O-N 3.27Å; N70-R73 PolarHBondContact O-N 3.37Å; D71-R73 VanDerWaalsContact C-N 3.34Å; D71-R73 PolarHBondContact O-N 2.9Å; R73-R76 PolarHBondContact O-N 2.98Å; R73-S77 PolarHBondContact O-N 3.35Å; R73-E102 IonicContact CZ-OE1 3.65Å; R73-E102 IonicContact CZ-OE2 3.68Å; R73-E102 IonicContact NE-OE1 3.34Å; R73-E102 IonicContact NE-OE2 3.12Å; R73-E102 PolarHBondContact NE-OE2 3.44Å; R73-E102 VanDerWaalsContact NH2-CD 3.26Å; R73-E102 IonicContact NH2-OE1 3.33Å; R73-E102 PolarHBondContact NH2-OE1 3.4Å; R73-E102 IonicContact NH2-OE2 3.89Å; R73-E102 PolarHBondContact NH2-OE2 3.08Å; R73-I104 HydrophobicContact CG-CD1 4.44Å
74K98.8Very high98.8Very high129 Ų12945 Ų4556%0.56124%0.241SC*.Hα-helixtrans-61.9-46.6173.2-66.9170.2-170.6166.10111.3N70 D71 A72 R76 S77 I78N70-K74 WeakPolarHBondContact O-CG 3.32Å; N70-K74 PolarHBondContact O-N 2.84Å; N70-K74 VanDerWaalsContact O-N 3.13Å; D71-K74 WeakPolarHBondContact O-CB 3.41Å; D71-K74 PolarHBondContact O-N 3.41Å; D71-K74 IonicContact OD1-NZ 2.6Å; A72-K74 PolarHBondContact O-N 2.95Å; K74-R76 VanDerWaalsContact C-N 3.33Å; K74-R76 PolarHBondContact O-N 2.98Å; K74-S77 PolarHBondContact O-N 2.92Å; K74-S77 VanDerWaalsContact O-N 3.13Å; K74-S77 PolarHBondContact O-OG 3.2Å; K74-I78 PolarHBondContact O-N 2.97Å
75L98.8Very high98.8Very high6 Ų642 Ų423%0.03122%0.222CC..Hα-helixtrans-58.2-44.3176.4-70.2172.9000111.9L39 L43 A58 D71 A72 S77 I78 I79 I82 V84L39-L75 HydrophobicContact CD1-CD2 3.89Å; L43-L75 HydrophobicContact CD1-CD2 4.14Å; A58-L75 HydrophobicContact CB-CD1 4.15Å; A58-L75 HydrophobicContact CB-CD2 3.78Å; D71-L75 WeakPolarHBondContact O-CG 3.45Å; D71-L75 PolarHBondContact O-N 3.2Å; A72-L75 PolarHBondContact O-N 3.15Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.41Å; L75-I78 PolarHBondContact O-N 2.87Å; L75-I78 VanDerWaalsContact O-N 3.09Å; L75-I79 PolarHBondContact O-N 3.14Å; L75-I82 HydrophobicContact CB-CG2 4.06Å; L75-V84 HydrophobicContact CB-CG2 4.45Å; L75-V84 HydrophobicContact CD1-CG1 4.12Å; L75-V84 HydrophobicContact CD1-CG2 4.26Å
76R98.6Very high98.8Very high68 Ų6842 Ų4226%0.25722%0.222SC..Hα-helixtrans-66.3-26.6177.2-67.7-71.1-75.4-164.34.8113.5A72 R73 K74 I78 I79 A80 D81 I82 I104A72-R76 WeakPolarHBondContact O-CG 3.49Å; A72-R76 PolarHBondContact O-N 3.25Å; R73-R76 PolarHBondContact O-N 2.98Å; K74-R76 VanDerWaalsContact C-N 3.33Å; K74-R76 PolarHBondContact O-N 2.98Å; R76-I78 VanDerWaalsContact C-N 3.31Å; R76-I79 WeakPolarHBondContact CA-O 3.37Å; R76-I79 CarbonylContact O-C 3.55Å; R76-A80 PolarHBondContact NE-O 3.29Å; R76-A80 PolarHBondContact NH1-O 2.88Å; R76-A80 PolarHBondContact NH2-O 3.03Å; R76-A80 WeakPolarHBondContact O-CA 3.29Å; R76-D81 PolarHBondContact NH1-O 3.39Å; R76-I82 WeakPolarHBondContact CD-O 3.24Å; R76-I82 HydrophobicContact CG-CG2 4.32Å; R76-I82 PolarHBondContact NH1-O 3.2Å; R76-I104 HydrophobicContact CG-CD1 4.36Å; R76-I104 HydrophobicContact CG-CG1 4.49Å; R76-I104 HydrophobicContact CG-CG2 4.1Å
77S98.6Very high98.8Very high99 Ų9938 Ų3869%0.69221%0.206SC*.Hα-helixtrans-72.5-23171.872.80000113.6R73 K74 L75R73-S77 PolarHBondContact O-N 3.35Å; K74-S77 PolarHBondContact O-N 2.92Å; K74-S77 VanDerWaalsContact O-N 3.13Å; K74-S77 PolarHBondContact O-OG 3.2Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.41Å
78I98.6Very high98.8Very high53 Ų5337.7 Ų37.727%0.27220%0.201SC..Hα-helixtrans-85.4-49.9175.7-58.4165.2000110.1L39 D40 L43 P44 K74 L75 R76L39-I78 HydrophobicContact CB-CD1 4.1Å; D40-I78 HydrophobicContact CB-CD1 4.24Å; D40-I78 HydrophobicContact CB-CG1 4.48Å; L43-I78 HydrophobicContact CB-CG2 4.11Å; L43-I78 HydrophobicContact CD1-CG2 4.26Å; P44-I78 HydrophobicContact CG-CG2 4.02Å; K74-I78 PolarHBondContact O-N 2.97Å; L75-I78 PolarHBondContact O-N 2.87Å; L75-I78 VanDerWaalsContact O-N 3.09Å; R76-I78 VanDerWaalsContact C-N 3.31Å
79I98.7Very high98.8Very high13 Ų1340.8 Ų40.87%0.06722%0.221CC..SBendtrans-127.4110.2177.9-60.6-63.4000108.4L43 P44 H47 L56 L75 R76 D81 I82L43-I79 HydrophobicContact CB-CD1 4.34Å; L43-I79 HydrophobicContact CB-CG1 3.79Å; P44-I79 HydrophobicContact CG-CD1 4.47Å; H47-I79 HydrophobicContact CB-CD1 4.19Å; L56-I79 HydrophobicContact CD1-CD1 4.25Å; L56-I79 HydrophobicContact CD1-CG1 4.09Å; L56-I79 HydrophobicContact CD1-CG2 4.4Å; L75-I79 PolarHBondContact O-N 3.14Å; R76-I79 WeakPolarHBondContact CA-O 3.37Å; R76-I79 CarbonylContact O-C 3.55Å; I79-D81 PolarHBondContact O-N 3.49Å; I79-D81 VanDerWaalsContact O-N 3.1Å; I79-I82 HydrophobicContact CB-CB 3.87Å; I79-I82 HydrophobicContact CB-CD1 4.25Å; I79-I82 HydrophobicContact CB-CG1 4.48Å; I79-I82 HydrophobicContact CB-CG2 4.45Å; I79-I82 HydrophobicContact CG1-CD1 4.49Å; I79-I82 HydrophobicContact CG2-CB 3.81Å; I79-I82 HydrophobicContact CG2-CG1 4.46Å; I79-I82 WeakPolarHBondContact O-CG2 3.44Å; I79-I82 PolarHBondContact O-N 3.12Å
80A98.3Very high98.8Very high79 Ų7944.4 Ų44.465%0.65325%0.251SS*.THydrogen-bonded Turntrans-58.6-28.9-168.900000114.2R76R76-A80 PolarHBondContact NE-O 3.29Å; R76-A80 PolarHBondContact NH1-O 2.88Å; R76-A80 PolarHBondContact NH2-O 3.03Å; R76-A80 WeakPolarHBondContact O-CA 3.29Å
81D98.4Very high98.8Very high59 Ų5944.4 Ų44.432%0.31625%0.248SC..THydrogen-bonded Turntrans-114.813.3-176.785.2-46.8000114R55 R76 I79R55-D81 IonicContact CZ-OD2 3.7Å; R55-D81 IonicContact NE-OD2 3.09Å; R55-D81 PolarHBondContact NH2-O 3.01Å; R55-D81 IonicContact NH2-OD2 3.75Å; R55-D81 PolarHBondContact NH2-OD2 3.2Å; R55-D81 VanDerWaalsContact NH2-OD2 3.12Å; R76-D81 PolarHBondContact NH1-O 3.39Å; I79-D81 PolarHBondContact O-N 3.49Å; I79-D81 VanDerWaalsContact O-N 3.1Å
82I98.8Very high98.8Very high0 Ų042.9 Ų42.90%024%0.24CC..PPolyproline II helixtrans-59.8143.2-178.9-156.3167.4000112.1L43 L56 A58 L75 R76 I79 V84L43-I82 HydrophobicContact CD1-CD1 3.84Å; L43-I82 HydrophobicContact CD2-CD1 4.27Å; L56-I82 HydrophobicContact CB-CD1 4.18Å; L56-I82 HydrophobicContact CB-CG1 3.93Å; L56-I82 VanDerWaalsContact O-CG1 3.23Å; L56-I82 WeakPolarHBondContact O-CG1 3.19Å; A58-I82 HydrophobicContact CB-CD1 3.57Å; L75-I82 HydrophobicContact CB-CG2 4.06Å; R76-I82 WeakPolarHBondContact CD-O 3.24Å; R76-I82 HydrophobicContact CG-CG2 4.32Å; R76-I82 PolarHBondContact NH1-O 3.2Å; I79-I82 HydrophobicContact CB-CB 3.87Å; I79-I82 HydrophobicContact CB-CD1 4.25Å; I79-I82 HydrophobicContact CB-CG1 4.48Å; I79-I82 HydrophobicContact CB-CG2 4.45Å; I79-I82 HydrophobicContact CG1-CD1 4.49Å; I79-I82 HydrophobicContact CG2-CB 3.81Å; I79-I82 HydrophobicContact CG2-CG1 4.46Å; I79-I82 WeakPolarHBondContact O-CG2 3.44Å; I79-I82 PolarHBondContact O-N 3.12Å; I82-V84 HydrophobicContact CG2-CG2 4.47Å
83V98.9Very high98.8Very high0 Ų044.9 Ų44.90%025%0.25CS..EExtended strand (participates in β ladder)trans-90.2127.4170.31790000109.3R55 L56 F57 A58 P105 L107 Y127R55-V83 HydrophobicContact CG-CG2 3.92Å; L56-V83 PolarHBondContact O-N 2.9Å; F57-V83 WeakPolarHBondContact CA-O 3.29Å; F57-V83 HydrophobicContact CD1-CB 3.43Å; F57-V83 VanDerWaalsContact CD1-CB 3.43Å; F57-V83 HydrophobicContact CD1-CG1 3.5Å; F57-V83 VanDerWaalsContact CD1-CG1 3.5Å; F57-V83 HydrophobicContact CD1-CG2 4.24Å; F57-V83 HydrophobicContact CE1-CB 3.58Å; F57-V83 HydrophobicContact CE1-CG1 3.53Å; F57-V83 HydrophobicContact CE1-CG2 3.91Å; F57-V83 HydrophobicContact CG-CB 4.05Å; F57-V83 HydrophobicContact CZ-CB 4.3Å; F57-V83 HydrophobicContact CZ-CG2 4.23Å; A58-V83 PolarHBondContact N-O 3.19Å; V83-P105 HydrophobicContact CG2-CB 4.19Å; V83-P105 HydrophobicContact CG2-CG 4.12Å; V83-L107 HydrophobicContact CG1-CB 4.01Å; V83-Y127 HydrophobicContact CG1-CD2 4.21Å; V83-Y127 HydrophobicContact CG2-CE2 4.46Å
84V99Very high98.8Very high0 Ų040.3 Ų40.30%024%0.239CC..EExtended strand (participates in β ladder)trans-90.3118.2-175.2179.20000110.2V60 A72 L75 I82 V86 I104 P105 T106 L107V60-V84 HydrophobicContact CG1-CG1 3.46Å; V60-V84 VanDerWaalsContact CG1-CG1 3.46Å; A72-V84 HydrophobicContact CB-CB 4.33Å; A72-V84 HydrophobicContact CB-CG1 3.85Å; A72-V84 HydrophobicContact CB-CG2 3.94Å; L75-V84 HydrophobicContact CB-CG2 4.45Å; L75-V84 HydrophobicContact CD1-CG1 4.12Å; L75-V84 HydrophobicContact CD1-CG2 4.26Å; I82-V84 HydrophobicContact CG2-CG2 4.47Å; V84-V86 HydrophobicContact CG1-CG2 4.16Å; V84-I104 HydrophobicContact CB-CG2 4.48Å; V84-I104 HydrophobicContact CG2-CG2 3.89Å; V84-P105 PolarHBondContact N-O 3.05Å; V84-T106 HydrophobicContact CB-CG2 4.45Å; V84-T106 CarbonylContact O-C 3.51Å; V84-T106 WeakPolarHBondContact O-CA 3.5Å; V84-T106 WeakPolarHBondContact O-CB 3.29Å; V84-L107 PolarHBondContact O-N 2.84Å
85K99Very high98.8Very high4 Ų434.1 Ų34.12%0.01721%0.212CC..EExtended strand (participates in β ladder)trans-81.4124.6176.1-51.9176.467165.40109.1T27 F57 A58 Q59 V60 L107 T109T27-K85 WeakPolarHBondContact O-CD 3.35Å; T27-K85 PolarHBondContact O-NZ 3.02Å; F57-K85 HydrophobicContact CB-CD 3.81Å; F57-K85 HydrophobicContact CB-CG 3.91Å; A58-K85 PolarHBondContact O-N 3.33Å; Q59-K85 WeakPolarHBondContact CA-O 3.2Å; Q59-K85 HydrophobicContact CB-CB 3.94Å; Q59-K85 HydrophobicContact CG-CB 3.9Å; Q59-K85 VanDerWaalsContact CG-O 3.26Å; Q59-K85 WeakPolarHBondContact CG-O 3.36Å; V60-K85 PolarHBondContact N-O 3.38Å; V60-K85 VanDerWaalsContact N-O 3.1Å; K85-L107 CarbonylContact C-O 3.44Å; K85-L107 WeakPolarHBondContact CA-O 3.32Å; K85-L107 HydrophobicContact CB-CD2 4.17Å; K85-L107 HydrophobicContact CG-CB 4.22Å; K85-L107 HydrophobicContact CG-CD1 4.5Å; K85-L107 HydrophobicContact CG-CD2 3.99Å; K85-L107 HydrophobicContact CG-CG 4.49Å; K85-T109 HydrophobicContact CB-CG2 4.15Å
86V99Very high98.8Very high0 Ų033.9 Ų33.90%021%0.21CC..EExtended strand (participates in β ladder)trans-122.2121.2179.9-177.40000108.6V60 M68 V84 V88 A95 I96 L99 T106 L107 T109V60-V86 HydrophobicContact CG1-CG2 4.45Å; V60-V86 HydrophobicContact CG2-CG1 4.47Å; V60-V86 HydrophobicContact CG2-CG2 4.39Å; M68-V86 HydrophobicContact SD-CG1 3.74Å; V84-V86 HydrophobicContact CG1-CG2 4.16Å; V86-V88 PolarHBondContact O-N 3.4Å; V86-A95 HydrophobicContact CG1-CB 4.27Å; V86-I96 HydrophobicContact CB-CD1 4.18Å; V86-I96 HydrophobicContact CB-CG1 3.89Å; V86-I96 HydrophobicContact CG1-CD1 4.3Å; V86-I96 HydrophobicContact CG1-CG1 4.02Å; V86-I96 HydrophobicContact CG2-CG1 4.24Å; V86-L99 HydrophobicContact CG2-CD1 4Å; V86-T106 HydrophobicContact CG2-CG2 4.33Å; V86-L107 PolarHBondContact N-O 3Å; V86-T109 PolarHBondContact O-N 2.98Å
87P98.9Very high98.8Very high28 Ų2836.8 Ų36.818%0.18223%0.225CC..EExtended strand (participates in β ladder)trans-58.9134.4175-23.333.9000111Q59 T89 G92 T109 A110Q59-P87 HydrophobicContact CG-CG 4.49Å; P87-T89 HydrophobicContact CB-CG2 4.48Å; P87-T89 PolarHBondContact O-N 3.37Å; P87-G92 WeakPolarHBondContact O-CA 3.22Å; P87-T109 WeakPolarHBondContact CA-O 3.23Å; P87-T109 HydrophobicContact CB-CG2 4.47Å; P87-T109 HydrophobicContact CG-CG2 4.23Å; P87-A110 HydrophobicContact CB-CB 4.5Å
88V98.9Very high98.8Very high10 Ų1035.4 Ų35.46%0.06121%0.209CC..SBendtrans-80.472.1-175.6-169.70000111.8V86 L93 T109 V111 Q116V86-V88 PolarHBondContact O-N 3.4Å; V88-L93 HydrophobicContact CG1-CD2 3.84Å; V88-L93 HydrophobicContact CG1-CG 4.14Å; V88-T109 PolarHBondContact N-O 3.27Å; V88-V111 HydrophobicContact CB-CG2 4.18Å; V88-V111 HydrophobicContact CG2-CG2 3.56Å; V88-Q116 HydrophobicContact CB-CG 3.98Å; V88-Q116 HydrophobicContact CG1-CG 3.65Å; V88-Q116 WeakPolarHBondContact CG1-O 3.37Å; V88-Q116 PolarHBondContact O-NE2 2.91Å
89T98.9Very high98.8Very high72 Ų7232.9 Ų32.944%0.44220%0.196SC..SBendtrans-103.8178.9169.266.60000110.3P87 G92 L93P87-T89 HydrophobicContact CB-CG2 4.48Å; P87-T89 PolarHBondContact O-N 3.37Å; T89-G92 PolarHBondContact O-N 2.94Å; T89-G92 PolarHBondContact OG1-N 3.41Å; T89-L93 WeakPolarHBondContact O-CG 3.38Å; T89-L93 PolarHBondContact O-N 3.49Å
90A98.8Very high98.9Very high81 Ų8138.6 Ų38.667%0.66922%0.22SC*.Hα-helixtrans-57.5-50.8173.700000112.1G92 L93 A94A90-G92 VanDerWaalsContact C-N 3.29Å; A90-G92 PolarHBondContact O-N 3.4Å; A90-L93 PolarHBondContact O-N 3.13Å; A90-A94 PolarHBondContact O-N 3.31Å; A90-A94 VanDerWaalsContact O-N 3.11Å
91E98.9Very high98.9Very high78 Ų7839.2 Ų39.236%0.36423%0.225SC..Hα-helixtrans-63.5-36.2174.9-69.4-60.8115.700111.9T63 T64 A65 M68 A94 A95T63-E91 WeakPolarHBondContact O-CB 3.38Å; T63-E91 WeakPolarHBondContact O-CG 3.38Å; T64-E91 WeakPolarHBondContact CA-OE2 3.28Å; A65-E91 PolarHBondContact N-OE2 3.13Å; M68-E91 HydrophobicContact CE-CB 4.31Å; E91-A94 PolarHBondContact O-N 2.89Å; E91-A95 WeakPolarHBondContact O-CB 3.29Å; E91-A95 PolarHBondContact O-N 3.18Å
92G99Very high98.9Very high0 Ų040.3 Ų40.30%023%0.228CC..Hα-helixtrans-62.9-41.9174.500000113.3P87 T89 A90 A94 A95 I96P87-G92 WeakPolarHBondContact O-CA 3.22Å; T89-G92 PolarHBondContact O-N 2.94Å; T89-G92 PolarHBondContact OG1-N 3.41Å; A90-G92 VanDerWaalsContact C-N 3.29Å; A90-G92 PolarHBondContact O-N 3.4Å; G92-A94 VanDerWaalsContact C-N 3.35Å; G92-A95 PolarHBondContact O-N 3.27Å; G92-I96 VanDerWaalsContact O-CG1 3.24Å; G92-I96 WeakPolarHBondContact O-CG1 3.26Å; G92-I96 PolarHBondContact O-N 3.1Å
93L99Very high98.9Very high42 Ų4243.1 Ų43.122%0.2226%0.257CS..Hα-helixtrans-65-39174.8-71.7173000111.7V88 T89 A90 I96 K97 L119 A123V88-L93 HydrophobicContact CG1-CD2 3.84Å; V88-L93 HydrophobicContact CG1-CG 4.14Å; T89-L93 WeakPolarHBondContact O-CG 3.38Å; T89-L93 PolarHBondContact O-N 3.49Å; A90-L93 PolarHBondContact O-N 3.13Å; L93-I96 PolarHBondContact O-N 2.99Å; L93-K97 WeakPolarHBondContact O-CG 3.26Å; L93-K97 PolarHBondContact O-N 3.14Å; L93-L119 HydrophobicContact CD1-CB 4.26Å; L93-L119 HydrophobicContact CD2-CB 4.1Å; L93-A123 HydrophobicContact CD2-CB 4.05Å
94A98.9Very high98.9Very high25 Ų2544 Ų4421%0.20726%0.261CS..Hα-helixtrans-62.6-45.9172.800000111.5A65 A90 E91 G92 I96 K97 M98A65-A94 HydrophobicContact CB-CB 3.75Å; A90-A94 PolarHBondContact O-N 3.31Å; A90-A94 VanDerWaalsContact O-N 3.11Å; E91-A94 PolarHBondContact O-N 2.89Å; G92-A94 VanDerWaalsContact C-N 3.35Å; A94-I96 PolarHBondContact O-N 2.97Å; A94-K97 PolarHBondContact O-N 3.32Å; A94-M98 WeakPolarHBondContact O-CG 3.4Å; A94-M98 PolarHBondContact O-N 3.32Å; A94-M98 VanDerWaalsContact O-N 3.07Å
95A99Very high98.9Very high0 Ų045 Ų450%027%0.269CS..Hα-helixtrans-60.6-43.7175.900000112.5A65 M68 V86 E91 G92 K97 M98 L99A65-A95 HydrophobicContact CB-CB 4.32Å; M68-A95 HydrophobicContact CB-CB 3.73Å; M68-A95 HydrophobicContact CG-CB 4.42Å; M68-A95 HydrophobicContact SD-CB 3.85Å; V86-A95 HydrophobicContact CG1-CB 4.27Å; E91-A95 WeakPolarHBondContact O-CB 3.29Å; E91-A95 PolarHBondContact O-N 3.18Å; G92-A95 PolarHBondContact O-N 3.27Å; A95-K97 VanDerWaalsContact C-N 3.31Å; A95-K97 PolarHBondContact O-N 3.35Å; A95-M98 PolarHBondContact O-N 2.91Å; A95-M98 VanDerWaalsContact O-N 3.16Å; A95-L99 WeakPolarHBondContact O-CB 3.37Å; A95-L99 VanDerWaalsContact O-CG 3.26Å; A95-L99 WeakPolarHBondContact O-CG 3.19Å; A95-L99 PolarHBondContact O-N 3.35Å
96I99Very high98.9Very high0 Ų044.9 Ų44.90%027%0.268CS..Hα-helixtrans-59.4-42.8178-70.8164.6000110.7V86 G92 L93 A94 L99 K100 A123 A125V86-I96 HydrophobicContact CB-CD1 4.18Å; V86-I96 HydrophobicContact CB-CG1 3.89Å; V86-I96 HydrophobicContact CG1-CD1 4.3Å; V86-I96 HydrophobicContact CG1-CG1 4.02Å; V86-I96 HydrophobicContact CG2-CG1 4.24Å; G92-I96 VanDerWaalsContact O-CG1 3.24Å; G92-I96 WeakPolarHBondContact O-CG1 3.26Å; G92-I96 PolarHBondContact O-N 3.1Å; L93-I96 PolarHBondContact O-N 2.99Å; A94-I96 PolarHBondContact O-N 2.97Å; I96-L99 PolarHBondContact O-N 3.43Å; I96-K100 WeakPolarHBondContact O-CB 3.34Å; I96-K100 PolarHBondContact O-N 3.06Å; I96-A123 HydrophobicContact CB-CB 4.09Å; I96-A123 HydrophobicContact CG2-CB 3.66Å; I96-A125 HydrophobicContact CD1-CB 4.48Å; I96-A125 HydrophobicContact CG2-CB 4.09Å
97K98.9Very high98.9Very high130 Ų13044.9 Ų44.957%0.56527%0.268SS*.Hα-helixtrans-61.9-44.2174.9-70.3-174.6-60.9177.40112.3L93 A94 A95 K100 A101 A123L93-K97 WeakPolarHBondContact O-CG 3.26Å; L93-K97 PolarHBondContact O-N 3.14Å; A94-K97 PolarHBondContact O-N 3.32Å; A95-K97 VanDerWaalsContact C-N 3.31Å; A95-K97 PolarHBondContact O-N 3.35Å; K97-K100 PolarHBondContact O-N 2.81Å; K97-A101 PolarHBondContact O-N 2.9Å; K97-A101 VanDerWaalsContact O-N 3.15Å; K97-A123 WeakPolarHBondContact CA-O 3.46Å; K97-A123 HydrophobicContact CG-CB 3.88Å
98M98.9Very high98.9Very high70 Ų7043.6 Ų43.635%0.34526%0.259SS..Hα-helixtrans-62.6-45.8177.6-66.3175-172.800111.1A65 V69 A94 A95 K100 A101 E102A65-M98 HydrophobicContact CB-CE 3.89Å; A65-M98 HydrophobicContact CB-SD 4.09Å; V69-M98 HydrophobicContact CG2-CB 3.71Å; V69-M98 HydrophobicContact CG2-CG 4.47Å; V69-M98 HydrophobicContact CG2-SD 3.92Å; A94-M98 WeakPolarHBondContact O-CG 3.4Å; A94-M98 PolarHBondContact O-N 3.32Å; A94-M98 VanDerWaalsContact O-N 3.07Å; A95-M98 PolarHBondContact O-N 2.91Å; A95-M98 VanDerWaalsContact O-N 3.16Å; M98-K100 VanDerWaalsContact C-N 3.32Å; M98-K100 PolarHBondContact O-N 3.06Å; M98-A101 WeakPolarHBondContact O-CB 3.16Å; M98-A101 PolarHBondContact O-N 2.89Å; M98-A101 VanDerWaalsContact O-N 3.1Å; M98-E102 PolarHBondContact O-N 3.17Å
99L98.9Very high98.9Very high0 Ų043.1 Ų43.10%026%0.256CS..Hα-helixtrans-65.8-34.6179.1-69.1170.9000112.4V69 A72 V86 A95 I96 A101 E102 G103 I104 T106V69-L99 HydrophobicContact CB-CD2 4.48Å; V69-L99 HydrophobicContact CG1-CD2 4.37Å; V69-L99 HydrophobicContact CG2-CD2 4.18Å; V69-L99 HydrophobicContact CG2-CG 4.17Å; A72-L99 HydrophobicContact CB-CD1 4.01Å; A72-L99 HydrophobicContact CB-CD2 3.42Å; A72-L99 VanDerWaalsContact CB-CD2 3.42Å; A72-L99 HydrophobicContact CB-CG 4.38Å; V86-L99 HydrophobicContact CG2-CD1 4Å; A95-L99 WeakPolarHBondContact O-CB 3.37Å; A95-L99 VanDerWaalsContact O-CG 3.26Å; A95-L99 WeakPolarHBondContact O-CG 3.19Å; A95-L99 PolarHBondContact O-N 3.35Å; I96-L99 PolarHBondContact O-N 3.43Å; L99-A101 VanDerWaalsContact C-N 3.32Å; L99-A101 PolarHBondContact O-N 3.45Å; L99-E102 CarbonylContact O-C 3.57Å; L99-E102 PolarHBondContact O-N 2.85Å; L99-G103 PolarHBondContact O-N 3.08Å; L99-G103 VanDerWaalsContact O-N 3.08Å; L99-I104 HydrophobicContact CB-CB 4.35Å; L99-I104 HydrophobicContact CD2-CB 4.05Å; L99-I104 HydrophobicContact CD2-CD1 3.84Å; L99-I104 HydrophobicContact CD2-CG1 4.49Å; L99-I104 HydrophobicContact CD2-CG2 4.19Å; L99-I104 PolarHBondContact O-N 3.48Å; L99-T106 HydrophobicContact CB-CG2 3.66Å; L99-T106 HydrophobicContact CD1-CG2 3.46Å; L99-T106 VanDerWaalsContact CD1-CG2 3.46Å; L99-T106 HydrophobicContact CG-CG2 4.18Å
100K98.8Very high98.8Very high133 Ų13340.9 Ų40.958%0.57825%0.246SC*.Hα-helixtrans-61.1-41.8171.4-179.860.5179.8-176.10111.6I96 K97 M98 E102 G103I96-K100 WeakPolarHBondContact O-CB 3.34Å; I96-K100 PolarHBondContact O-N 3.06Å; K97-K100 PolarHBondContact O-N 2.81Å; M98-K100 VanDerWaalsContact C-N 3.32Å; M98-K100 PolarHBondContact O-N 3.06Å; K100-E102 VanDerWaalsContact C-N 3.29Å; K100-E102 PolarHBondContact O-N 3.41Å; K100-G103 PolarHBondContact O-N 3.04Å
101A98.7Very high98.9Very high92 Ų9237 Ų3776%0.7621%0.214SC*.Hα-helixtrans-66.3-30.5175.500000112.7K97 M98 L99 G103K97-A101 PolarHBondContact O-N 2.9Å; K97-A101 VanDerWaalsContact O-N 3.15Å; M98-A101 WeakPolarHBondContact O-CB 3.16Å; M98-A101 PolarHBondContact O-N 2.89Å; M98-A101 VanDerWaalsContact O-N 3.1Å; L99-A101 VanDerWaalsContact C-N 3.32Å; L99-A101 PolarHBondContact O-N 3.45Å; A101-G103 VanDerWaalsContact C-N 3.32Å
102E98.5Very high98.8Very high81 Ų8137 Ų3738%0.37921%0.211SC..THydrogen-bonded Turntrans-82.8-2.9174.3-70.1-175.1-146.100114.2V69 R73 M98 L99 K100 I104V69-E102 VanDerWaalsContact CG1-OE1 3.3Å; V69-E102 WeakPolarHBondContact CG1-OE1 3.23Å; R73-E102 IonicContact CZ-OE1 3.65Å; R73-E102 IonicContact CZ-OE2 3.68Å; R73-E102 IonicContact NE-OE1 3.34Å; R73-E102 IonicContact NE-OE2 3.12Å; R73-E102 PolarHBondContact NE-OE2 3.44Å; R73-E102 VanDerWaalsContact NH2-CD 3.26Å; R73-E102 IonicContact NH2-OE1 3.33Å; R73-E102 PolarHBondContact NH2-OE1 3.4Å; R73-E102 IonicContact NH2-OE2 3.89Å; R73-E102 PolarHBondContact NH2-OE2 3.08Å; M98-E102 PolarHBondContact O-N 3.17Å; L99-E102 CarbonylContact O-C 3.57Å; L99-E102 PolarHBondContact O-N 2.85Å; K100-E102 VanDerWaalsContact C-N 3.29Å; K100-E102 PolarHBondContact O-N 3.41Å; E102-I104 HydrophobicContact CB-CD1 4.28Å; E102-I104 HydrophobicContact CB-CG1 4.25Å; E102-I104 PolarHBondContact O-N 2.88Å
103G98.5Very high98.8Very high59 Ų5938.2 Ų38.261%0.60822%0.223SC*.THydrogen-bonded Turntrans69.418.8-17700000114.2L99 K100 A101L99-G103 PolarHBondContact O-N 3.08Å; L99-G103 VanDerWaalsContact O-N 3.08Å; K100-G103 PolarHBondContact O-N 3.04Å; A101-G103 VanDerWaalsContact C-N 3.32Å
104I98.8Very high98.8Very high18 Ų1836.9 Ų36.99%0.09222%0.218CC..  trans-88.2118.6175.8-62.9174.7000108.5R73 R76 V84 L99 E102R73-I104 HydrophobicContact CG-CD1 4.44Å; R76-I104 HydrophobicContact CG-CD1 4.36Å; R76-I104 HydrophobicContact CG-CG1 4.49Å; R76-I104 HydrophobicContact CG-CG2 4.1Å; V84-I104 HydrophobicContact CB-CG2 4.48Å; V84-I104 HydrophobicContact CG2-CG2 3.89Å; L99-I104 HydrophobicContact CB-CB 4.35Å; L99-I104 HydrophobicContact CD2-CB 4.05Å; L99-I104 HydrophobicContact CD2-CD1 3.84Å; L99-I104 HydrophobicContact CD2-CG1 4.49Å; L99-I104 HydrophobicContact CD2-CG2 4.19Å; L99-I104 PolarHBondContact O-N 3.48Å; E102-I104 HydrophobicContact CB-CD1 4.28Å; E102-I104 HydrophobicContact CB-CG1 4.25Å; E102-I104 PolarHBondContact O-N 2.88Å
105P98.9Very high98.8Very high23 Ų2339 Ų3915%0.14924%0.235CC..  trans-68.6137-179.828.8-34.3000110.6V83 V84V83-P105 HydrophobicContact CG2-CB 4.19Å; V83-P105 HydrophobicContact CG2-CG 4.12Å; V84-P105 PolarHBondContact N-O 3.05Å
106T99Very high98.8Very high1 Ų141.7 Ų41.71%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-126156.7-17754.60000112.9V84 V86 L99 A125 E126 Y127V84-T106 HydrophobicContact CB-CG2 4.45Å; V84-T106 CarbonylContact O-C 3.51Å; V84-T106 WeakPolarHBondContact O-CA 3.5Å; V84-T106 WeakPolarHBondContact O-CB 3.29Å; V86-T106 HydrophobicContact CG2-CG2 4.33Å; L99-T106 HydrophobicContact CB-CG2 3.66Å; L99-T106 HydrophobicContact CD1-CG2 3.46Å; L99-T106 VanDerWaalsContact CD1-CG2 3.46Å; L99-T106 HydrophobicContact CG-CG2 4.18Å; T106-A125 WeakPolarHBondContact OG1-CA 3.49Å; T106-E126 PolarHBondContact O-N 3.46Å; T106-Y127 PolarHBondContact O-N 3.44Å
107L99Very high98.8Very high0 Ų041.7 Ų41.70%025%0.248CC..EExtended strand (participates in β ladder)trans-121.3121.8170.1176.9158.7000109F57 V83 V84 K85 V86 T109 Y127 A129 L163F57-L107 HydrophobicContact CD1-CB 4.23Å; F57-L107 HydrophobicContact CD1-CD1 3.6Å; F57-L107 HydrophobicContact CE1-CB 4.48Å; F57-L107 HydrophobicContact CE1-CD1 3.74Å; V83-L107 HydrophobicContact CG1-CB 4.01Å; V84-L107 PolarHBondContact O-N 2.84Å; K85-L107 CarbonylContact C-O 3.44Å; K85-L107 WeakPolarHBondContact CA-O 3.32Å; K85-L107 HydrophobicContact CB-CD2 4.17Å; K85-L107 HydrophobicContact CG-CB 4.22Å; K85-L107 HydrophobicContact CG-CD1 4.5Å; K85-L107 HydrophobicContact CG-CD2 3.99Å; K85-L107 HydrophobicContact CG-CG 4.49Å; V86-L107 PolarHBondContact N-O 3Å; L107-T109 VanDerWaalsContact CD2-CB 3.5Å; L107-T109 PolarHBondContact O-N 2.88Å; L107-Y127 CarbonylContact C-O 3.57Å; L107-Y127 VanDerWaalsContact CA-O 3.25Å; L107-Y127 WeakPolarHBondContact CA-O 3.4Å; L107-Y127 HydrophobicContact CD1-CG 4.4Å; L107-A129 HydrophobicContact CD1-CB 4.36Å; L107-A129 HydrophobicContact CD2-CB 3.65Å; L107-A129 HydrophobicContact CG-CB 4.31Å; L107-L163 HydrophobicContact CD1-CB 4.29Å; L107-L163 HydrophobicContact CD1-CD1 3.79Å; L107-L163 HydrophobicContact CD1-CG 4.43Å
108G98.9Very high98.8Very high0 Ų036.7 Ų36.70%023%0.227CC..EExtended strand (participates in β ladder)trans-73.7105.517100000110.5Y127 A129G108-Y127 PolarHBondContact N-O 3.19Å; G108-A129 PolarHBondContact O-N 2.96Å
109T98.9Very high98.8Very high0 Ų037.9 Ų37.90%023%0.234CC..EExtended strand (participates in β ladder)trans-106.8171.6-174.4-158.20000112.2Q59 K85 V86 P87 V88 L107 V111 Y131Q59-T109 HydrophobicContact CG-CG2 4.19Å; K85-T109 HydrophobicContact CB-CG2 4.15Å; V86-T109 PolarHBondContact O-N 2.98Å; P87-T109 WeakPolarHBondContact CA-O 3.23Å; P87-T109 HydrophobicContact CB-CG2 4.47Å; P87-T109 HydrophobicContact CG-CG2 4.23Å; V88-T109 PolarHBondContact N-O 3.27Å; L107-T109 VanDerWaalsContact CD2-CB 3.5Å; L107-T109 PolarHBondContact O-N 2.88Å; T109-V111 VanDerWaalsContact C-N 3.27Å; T109-V111 PolarHBondContact O-N 3.1Å; T109-Y131 PolarHBondContact OG1-OH 3.45Å
110A98.7Very high98.8Very high26 Ų2637.9 Ų37.922%0.21523%0.234CC..EExtended strand (participates in β ladder)trans56.742.5-177.200000112.4P87 Y112 Y131P87-A110 HydrophobicContact CB-CB 4.5Å; A110-Y112 HydrophobicContact CB-CE2 4.49Å; A110-Y112 WeakPolarHBondContact O-CD2 3.45Å; A110-Y131 HydrophobicContact CB-CE2 3.93Å
111V98.9Very high98.8Very high0 Ų032 Ų320%021%0.211CC..EExtended strand (participates in β ladder)trans-87.4127.7176.8175.60000109.5V88 T109 G113 V128 A129 P130 Y131V88-V111 HydrophobicContact CB-CG2 4.18Å; V88-V111 HydrophobicContact CG2-CG2 3.56Å; T109-V111 VanDerWaalsContact C-N 3.27Å; T109-V111 PolarHBondContact O-N 3.1Å; V111-G113 VanDerWaalsContact CG1-O 3.29Å; V111-G113 WeakPolarHBondContact CG1-O 3.5Å; V111-V128 HydrophobicContact CB-CG1 4.5Å; V111-V128 HydrophobicContact CG1-CG1 4.44Å; V111-V128 HydrophobicContact CG2-CG1 3.87Å; V111-A129 PolarHBondContact N-O 2.78Å; V111-P130 WeakPolarHBondContact O-CA 3.48Å; V111-Y131 PolarHBondContact O-N 3.18Å; V111-Y131 VanDerWaalsContact O-N 3.08Å
112Y98.8Very high98.8Very high78 Ų7832.6 Ų32.631%0.30620%0.2SC..  trans-118-4179.7-73-98.1000113.3A110 Y131 R134 I135A110-Y112 HydrophobicContact CB-CE2 4.49Å; A110-Y112 WeakPolarHBondContact O-CD2 3.45Å; Y112-Y131 HydrophobicContact CE2-CD2 4.19Å; Y112-R134 HydrophobicContact CE1-CB 3.74Å; Y112-R134 VanDerWaalsContact OH-CD 3.22Å; Y112-R134 WeakPolarHBondContact OH-CD 3.36Å; Y112-R134 PolarHBondContact OH-NH1 2.82Å; Y112-I135 HydrophobicContact CD1-CG1 3.96Å
113G98.7Very high98.9Very high24 Ų2429.4 Ų29.425%0.24719%0.188CC..SBendtrans-150.2151.4175.900000112.4V111 A115 Q116 G117V111-G113 VanDerWaalsContact CG1-O 3.29Å; V111-G113 WeakPolarHBondContact CG1-O 3.5Å; G113-A115 PolarHBondContact O-N 2.91Å; G113-Q116 WeakPolarHBondContact O-CB 3.1Å; G113-Q116 PolarHBondContact O-N 3.39Å; G113-G117 PolarHBondContact O-N 2.74Å
114A98.9Very high98.9Very high15 Ų1527.5 Ų27.512%0.12417%0.168CC..Hα-helixtrans-61.8-42.4-173.400000112.9Q116 G117 L118 D148 L149 L152A114-Q116 PolarHBondContact O-N 3.08Å; A114-G117 PolarHBondContact O-N 3.26Å; A114-L118 PolarHBondContact O-N 3.11Å; A114-D148 HydrophobicContact CB-CB 3.78Å; A114-L149 HydrophobicContact CB-CB 4.17Å; A114-L152 HydrophobicContact CB-CD1 3.9Å
115A98.9Very high98.9Very high68 Ų6826.8 Ų26.856%0.56217%0.165SC*.Hα-helixtrans-63.1-41.5177.400000112.7G113 G117 L118 L119G113-A115 PolarHBondContact O-N 2.91Å; A115-G117 VanDerWaalsContact C-N 3.32Å; A115-G117 PolarHBondContact O-N 2.88Å; A115-L118 PolarHBondContact O-N 3.02Å; A115-L119 WeakPolarHBondContact O-CG 3.46Å; A115-L119 PolarHBondContact O-N 3.09Å
116Q98.9Very high98.9Very high58 Ų5828.8 Ų28.827%0.27117%0.173SC..Hα-helixtrans-59.2-46.1174-178.2-165.221.600110.4V88 G113 A114 L119 S120V88-Q116 HydrophobicContact CB-CG 3.98Å; V88-Q116 HydrophobicContact CG1-CG 3.65Å; V88-Q116 WeakPolarHBondContact CG1-O 3.37Å; V88-Q116 PolarHBondContact O-NE2 2.91Å; G113-Q116 WeakPolarHBondContact O-CB 3.1Å; G113-Q116 PolarHBondContact O-N 3.39Å; A114-Q116 PolarHBondContact O-N 3.08Å; Q116-L119 PolarHBondContact O-N 2.64Å; Q116-S120 PolarHBondContact O-N 3.05Å
117G98.9Very high98.9Very high0 Ų029 Ų290%017%0.174CC..Hα-helixtrans-59.5-48.1176.700000112.8G113 A114 A115 L119 S120 A121 V128G113-G117 PolarHBondContact O-N 2.74Å; A114-G117 PolarHBondContact O-N 3.26Å; A115-G117 VanDerWaalsContact C-N 3.32Å; A115-G117 PolarHBondContact O-N 2.88Å; G117-L119 VanDerWaalsContact C-N 3.31Å; G117-L119 PolarHBondContact O-N 3.11Å; G117-S120 PolarHBondContact O-N 3.03Å; G117-S120 VanDerWaalsContact O-N 3.1Å; G117-S120 PolarHBondContact O-OG 3.36Å; G117-A121 PolarHBondContact O-N 3.35Å; G117-V128 VanDerWaalsContact CA-CG1 3.47Å
118L98.9Very high98.9Very high25 Ų2529 Ų2913%0.13117%0.174CC..Hα-helixtrans-57.5-43177176.262.8000111.7A114 A115 S120 A121 L122 L152 L153 H156 A157A114-L118 PolarHBondContact O-N 3.11Å; A115-L118 PolarHBondContact O-N 3.02Å; L118-S120 PolarHBondContact O-N 3.39Å; L118-A121 WeakPolarHBondContact O-CB 3.44Å; L118-A121 PolarHBondContact O-N 3.31Å; L118-A121 VanDerWaalsContact O-N 3.1Å; L118-L122 HydrophobicContact CD1-CD1 4.28Å; L118-L122 HydrophobicContact CD1-CD2 4.46Å; L118-L122 HydrophobicContact CD1-CG 4.06Å; L118-L122 HydrophobicContact CD2-CD1 4.42Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.18Å; L118-L122 WeakPolarHBondContact O-CG 3.34Å; L118-L122 PolarHBondContact O-N 3.42Å; L118-L152 HydrophobicContact CB-CB 4.49Å; L118-L152 HydrophobicContact CB-CD1 4.35Å; L118-L152 HydrophobicContact CD1-CB 4.38Å; L118-L152 HydrophobicContact CD2-CB 4.24Å; L118-L152 HydrophobicContact CD2-CD1 4.25Å; L118-L152 HydrophobicContact CD2-CD2 4.31Å; L118-L153 HydrophobicContact CD1-CD2 4.09Å; L118-H156 HydrophobicContact CD1-CB 4Å; L118-A157 HydrophobicContact CD1-CB 4.19Å
119L99Very high98.9Very high94 Ų9429 Ų2949%0.49217%0.174SC..Hα-helixtrans-58.4-36.9177.8-72.2171.6000112.4L93 A115 Q116 G117 L122 A123L93-L119 HydrophobicContact CD1-CB 4.26Å; L93-L119 HydrophobicContact CD2-CB 4.1Å; A115-L119 WeakPolarHBondContact O-CG 3.46Å; A115-L119 PolarHBondContact O-N 3.09Å; Q116-L119 PolarHBondContact O-N 2.64Å; G117-L119 VanDerWaalsContact C-N 3.31Å; G117-L119 PolarHBondContact O-N 3.11Å; L119-L122 PolarHBondContact O-N 2.74Å; L119-A123 WeakPolarHBondContact O-CB 3.41Å; L119-A123 PolarHBondContact O-N 3.46Å
120S99Very high98.9Very high0 Ų029 Ų290%017%0.174CC..Hα-helixtrans-67.5-38.6176.275.10000112.8Q116 G117 L118 A123 G124 A125Q116-S120 PolarHBondContact O-N 3.05Å; G117-S120 PolarHBondContact O-N 3.03Å; G117-S120 VanDerWaalsContact O-N 3.1Å; G117-S120 PolarHBondContact O-OG 3.36Å; L118-S120 PolarHBondContact O-N 3.39Å; S120-A123 PolarHBondContact O-N 3.08Å; S120-G124 PolarHBondContact O-N 3.44Å; S120-A125 VanDerWaalsContact O-CB 3.26Å; S120-A125 WeakPolarHBondContact O-CB 3.49Å; S120-A125 PolarHBondContact O-N 2.88Å
121A98.9Very high98.9Very high10 Ų1028.8 Ų28.88%0.08317%0.167CC..Hα-helixtrans-66.4-44.3174.700000111.4G117 L118 A123 G124 V128 L153 A157 A160G117-A121 PolarHBondContact O-N 3.35Å; L118-A121 WeakPolarHBondContact O-CB 3.44Å; L118-A121 PolarHBondContact O-N 3.31Å; L118-A121 VanDerWaalsContact O-N 3.1Å; A121-A123 PolarHBondContact O-N 2.6Å; A121-G124 WeakPolarHBondContact O-CA 3.37Å; A121-G124 PolarHBondContact O-N 3.07Å; A121-V128 HydrophobicContact CB-CG2 3.98Å; A121-L153 HydrophobicContact CB-CD2 3.47Å; A121-L153 VanDerWaalsContact CB-CD2 3.47Å; A121-A157 HydrophobicContact CB-CB 3.73Å; A121-A160 HydrophobicContact CB-CB 3.6Å
122L98.9Very high98.9Very high104 Ų10428.8 Ų28.855%0.54517%0.167SC..Hα-helixtrans-62.4-30.5175.2-67.2176.5000112.6L118 L119 G124 A157L118-L122 HydrophobicContact CD1-CD1 4.28Å; L118-L122 HydrophobicContact CD1-CD2 4.46Å; L118-L122 HydrophobicContact CD1-CG 4.06Å; L118-L122 HydrophobicContact CD2-CD1 4.42Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.18Å; L118-L122 WeakPolarHBondContact O-CG 3.34Å; L118-L122 PolarHBondContact O-N 3.42Å; L119-L122 PolarHBondContact O-N 2.74Å; L122-G124 PolarHBondContact O-N 3.17Å; L122-A157 HydrophobicContact CD2-CB 4.35Å
123A98.9Very high98.9Very high14 Ų1426.8 Ų26.812%0.11616%0.162CC..Hα-helixtrans-72.1-17.1172.500000113.3L93 I96 K97 L119 S120 A121L93-A123 HydrophobicContact CD2-CB 4.05Å; I96-A123 HydrophobicContact CB-CB 4.09Å; I96-A123 HydrophobicContact CG2-CB 3.66Å; K97-A123 WeakPolarHBondContact CA-O 3.46Å; K97-A123 HydrophobicContact CG-CB 3.88Å; L119-A123 WeakPolarHBondContact O-CB 3.41Å; L119-A123 PolarHBondContact O-N 3.46Å; S120-A123 PolarHBondContact O-N 3.08Å; A121-A123 PolarHBondContact O-N 2.6Å
124G98.8Very high98.9Very high19 Ų1931.1 Ų31.120%0.19617%0.171CC..THydrogen-bonded Turntrans121.28175.200000115.8S120 A121 L122S120-G124 PolarHBondContact O-N 3.44Å; A121-G124 WeakPolarHBondContact O-CA 3.37Å; A121-G124 PolarHBondContact O-N 3.07Å; L122-G124 PolarHBondContact O-N 3.17Å
125A98.9Very high98.9Very high4 Ų431 Ų313%0.03317%0.168CC..  trans-66.6133.9174.300000111.5I96 T106 S120I96-A125 HydrophobicContact CD1-CB 4.48Å; I96-A125 HydrophobicContact CG2-CB 4.09Å; T106-A125 WeakPolarHBondContact OG1-CA 3.49Å; S120-A125 VanDerWaalsContact O-CB 3.26Å; S120-A125 WeakPolarHBondContact O-CB 3.49Å; S120-A125 PolarHBondContact O-N 2.88Å
126E98.9Very high98.9Very high64 Ų6430.1 Ų30.130%0.29915%0.154SC..SBendtrans-79.4-28.6176.8-171.6-176.7141.700111.2T106 A160 K161T106-E126 PolarHBondContact O-N 3.46Å; E126-A160 CarbonylContact O-C 3.41Å; E126-A160 VanDerWaalsContact O-CA 3.3Å; E126-A160 WeakPolarHBondContact O-CA 3.46Å; E126-K161 PolarHBondContact O-N 3.27Å
127Y99Very high98.8Very high7 Ų731.1 Ų31.13%0.02717%0.172CC..EExtended strand (participates in β ladder)trans-126.9148.6178.4-58.1-89.9000111E2 F57 V83 T106 L107 G108 K161 L163E2-Y127 VanDerWaalsContact OE2-CE1 3.27Å; E2-Y127 WeakPolarHBondContact OE2-CE1 3.48Å; F57-Y127 AromaticContact CE1-CD2 3.81Å; F57-Y127 HydrophobicContact CE1-CD2 3.81Å; F57-Y127 HydrophobicContact CE1-CE2 4.13Å; F57-Y127 HydrophobicContact CE1-CG 4.12Å; F57-Y127 HydrophobicContact CZ-CD2 4.34Å; F57-Y127 HydrophobicContact CZ-CE2 4.25Å; V83-Y127 HydrophobicContact CG1-CD2 4.21Å; V83-Y127 HydrophobicContact CG2-CE2 4.46Å; T106-Y127 PolarHBondContact O-N 3.44Å; L107-Y127 CarbonylContact C-O 3.57Å; L107-Y127 VanDerWaalsContact CA-O 3.25Å; L107-Y127 WeakPolarHBondContact CA-O 3.4Å; L107-Y127 HydrophobicContact CD1-CG 4.4Å; G108-Y127 PolarHBondContact N-O 3.19Å; Y127-K161 CarbonylContact C-O 3.53Å; Y127-K161 WeakPolarHBondContact CA-O 3.27Å; Y127-K161 HydrophobicContact CD1-CB 4.16Å; Y127-K161 HydrophobicContact CE1-CB 4.37Å; Y127-K161 HydrophobicContact CE1-CD 3.97Å; Y127-L163 HydrophobicContact CD1-CB 4.15Å; Y127-L163 HydrophobicContact CD1-CD1 4.03Å; Y127-L163 HydrophobicContact CG-CD1 4.41Å
128V99Very high98.8Very high0 Ų037.7 Ų37.70%020%0.203CC..EExtended strand (participates in β ladder)trans-128.4124.2173.3-171.60000109.2V111 G117 A121 P130 L149 L153 K161 L163V111-V128 HydrophobicContact CB-CG1 4.5Å; V111-V128 HydrophobicContact CG1-CG1 4.44Å; V111-V128 HydrophobicContact CG2-CG1 3.87Å; G117-V128 VanDerWaalsContact CA-CG1 3.47Å; A121-V128 HydrophobicContact CB-CG2 3.98Å; V128-P130 WeakPolarHBondContact O-CD 3.48Å; V128-L149 HydrophobicContact CB-CD2 4.22Å; V128-L149 HydrophobicContact CG1-CD1 4.28Å; V128-L149 HydrophobicContact CG1-CD2 3.72Å; V128-L153 HydrophobicContact CB-CD1 4.31Å; V128-L153 HydrophobicContact CG2-CD1 4.01Å; V128-L153 HydrophobicContact CG2-CD2 4.35Å; V128-K161 PolarHBondContact N-O 3.33Å; V128-L163 PolarHBondContact O-N 3.33Å
129A98.9Very high98.7Very high0 Ų040.1 Ų40.10%023%0.234CC..EExtended strand (participates in β ladder)trans-112.391.5-17400000112.8L107 G108 V111 L163L107-A129 HydrophobicContact CD1-CB 4.36Å; L107-A129 HydrophobicContact CD2-CB 3.65Å; L107-A129 HydrophobicContact CG-CB 4.31Å; G108-A129 PolarHBondContact O-N 2.96Å; V111-A129 PolarHBondContact N-O 2.78Å; A129-L163 VanDerWaalsContact CA-O 3.28Å; A129-L163 WeakPolarHBondContact CA-O 3.2Å; A129-L163 WeakPolarHBondContact CB-O 3.49Å
130P98.9Very high98.7Very high0 Ų037.8 Ų37.80%023%0.232CC..EExtended strand (participates in β ladder)trans-68.7139.4168.630-34.1000110.9V111 V128 V132 T145 V146 L149 V162 A165V111-P130 WeakPolarHBondContact O-CA 3.48Å; V128-P130 WeakPolarHBondContact O-CD 3.48Å; P130-V132 PolarHBondContact O-N 3.25Å; P130-T145 HydrophobicContact CB-CG2 4.49Å; P130-V146 HydrophobicContact CB-CG2 4.26Å; P130-V146 HydrophobicContact CG-CG2 3.63Å; P130-L149 HydrophobicContact CB-CD2 4.36Å; P130-L149 HydrophobicContact CG-CD2 4Å; P130-V162 HydrophobicContact CG-CG1 3.98Å; P130-A165 PolarHBondContact O-N 3.26Å
131Y98.9Very high98.7Very high21 Ų2140.5 Ų40.58%0.08225%0.251CS..BIsolated β-bridgetrans-90.978.2178.2-72.2-2.3000111.1T109 A110 V111 Y112 N133 R134 I135 A165T109-Y131 PolarHBondContact OG1-OH 3.45Å; A110-Y131 HydrophobicContact CB-CE2 3.93Å; V111-Y131 PolarHBondContact O-N 3.18Å; V111-Y131 VanDerWaalsContact O-N 3.08Å; Y112-Y131 HydrophobicContact CE2-CD2 4.19Å; Y131-N133 PolarHBondContact O-N 3.1Å; Y131-R134 PolarHBondContact O-N 3.02Å; Y131-I135 WeakPolarHBondContact O-CG1 3.47Å; Y131-I135 PolarHBondContact O-N 3.33Å; Y131-A165 HydrophobicContact CD1-CB 4.36Å
132V98.9Very high98.7Very high0 Ų040 Ų400%025%0.247CC..Hα-helixtrans-46.9-61.3-168.6179.90000112.3P130 R134 I135 D136 I143 V146 A164 A165 F167 Q172P130-V132 PolarHBondContact O-N 3.25Å; V132-R134 VanDerWaalsContact C-N 3.27Å; V132-R134 PolarHBondContact O-N 2.95Å; V132-I135 WeakPolarHBondContact O-CB 3.35Å; V132-I135 PolarHBondContact O-N 3.08Å; V132-I135 VanDerWaalsContact O-N 3.16Å; V132-D136 PolarHBondContact O-N 3.28Å; V132-I143 HydrophobicContact CG1-CD1 3.89Å; V132-V146 HydrophobicContact CG2-CG2 3.69Å; V132-A164 HydrophobicContact CG2-CB 4.35Å; V132-A165 WeakPolarHBondContact CG2-O 2.99Å; V132-A165 PolarHBondContact N-O 2.81Å; V132-F167 HydrophobicContact CB-CE1 4.16Å; V132-F167 HydrophobicContact CG1-CE1 4.35Å; V132-F167 HydrophobicContact CG2-CE1 3.99Å; V132-F167 HydrophobicContact CG2-CZ 4.32Å; V132-Q172 HydrophobicContact CG1-CB 4.4Å
133N98.8Very high98.7Very high36 Ų3636.9 Ų36.919%0.19323%0.231CC..Hα-helixtrans-67.1-26.6-177.7-173.783.8000113.1Y131 A137 S166 K168 Q172Y131-N133 PolarHBondContact O-N 3.1Å; N133-A137 WeakPolarHBondContact O-CB 3.24Å; N133-A137 PolarHBondContact O-N 2.83Å; N133-S166 WeakPolarHBondContact CA-O 3.49Å; N133-S166 WeakPolarHBondContact CB-O 3.22Å; N133-S166 PolarHBondContact N-O 3.33Å; N133-K168 HydrophobicContact CB-CG 4.28Å; N133-K168 VanDerWaalsContact ND2-CG 3.33Å; N133-K168 WeakPolarHBondContact ND2-CG 3.46Å; N133-K168 WeakPolarHBondContact OD1-CB 3.36Å; N133-K168 VanDerWaalsContact OD1-CG 3.3Å; N133-K168 WeakPolarHBondContact OD1-CG 3.23Å; N133-Q172 PolarHBondContact OD1-NE2 2.82Å
134R98.4Very high98.7Very high114 Ų11440.9 Ų40.943%0.4325%0.247SC..Hα-helixtrans-73.2-33.3176.5-64.2-162.9-172.5-178.4-1.2111.7Y112 Y131 V132 Q138Y112-R134 HydrophobicContact CE1-CB 3.74Å; Y112-R134 VanDerWaalsContact OH-CD 3.22Å; Y112-R134 WeakPolarHBondContact OH-CD 3.36Å; Y112-R134 PolarHBondContact OH-NH1 2.82Å; Y131-R134 PolarHBondContact O-N 3.02Å; V132-R134 VanDerWaalsContact C-N 3.27Å; V132-R134 PolarHBondContact O-N 2.95Å; R134-Q138 VanDerWaalsContact O-CG 3.27Å; R134-Q138 WeakPolarHBondContact O-CG 3.28Å; R134-Q138 PolarHBondContact O-N 2.65Å
135I98.8Very high98.7Very high12 Ų1241 Ų416%0.06224%0.244CC..Hα-helixtrans-66.4-47.3172.4-61.8160.8000109.4Y112 Y131 V132 A137 Q138 G140 T145Y112-I135 HydrophobicContact CD1-CG1 3.96Å; Y131-I135 WeakPolarHBondContact O-CG1 3.47Å; Y131-I135 PolarHBondContact O-N 3.33Å; V132-I135 WeakPolarHBondContact O-CB 3.35Å; V132-I135 PolarHBondContact O-N 3.08Å; V132-I135 VanDerWaalsContact O-N 3.16Å; I135-A137 VanDerWaalsContact C-N 3.32Å; I135-A137 PolarHBondContact O-N 2.94Å; I135-Q138 PolarHBondContact O-N 3.16Å; I135-Q138 VanDerWaalsContact O-N 3.12Å; I135-G140 PolarHBondContact O-N 2.67Å; I135-G140 VanDerWaalsContact O-N 3.15Å; I135-T145 HydrophobicContact CD1-CG2 3.81Å
136D98.7Very high98.7Very high50 Ų5040.8 Ų40.827%0.26724%0.242SC..Hα-helixtrans-56.6-46.1175.1-68.9-20.5000111.4V132 Q138 G139 G142 Q172V132-D136 PolarHBondContact O-N 3.28Å; D136-Q138 PolarHBondContact O-N 2.93Å; D136-Q138 VanDerWaalsContact O-N 3.15Å; D136-G139 PolarHBondContact O-N 3.5Å; D136-G139 VanDerWaalsContact O-N 3.09Å; D136-G142 PolarHBondContact OD1-N 3.29Å; D136-Q172 PolarHBondContact OD2-NE2 2.99Å
137A98.3Very high98.7Very high79 Ų7939.7 Ų39.765%0.65324%0.24SC*.Hα-helixtrans-65.9-16-179.300000114.2N133 I135N133-A137 WeakPolarHBondContact O-CB 3.24Å; N133-A137 PolarHBondContact O-N 2.83Å; I135-A137 VanDerWaalsContact C-N 3.32Å; I135-A137 PolarHBondContact O-N 2.94Å
138Q98.3Very high98.7Very high138 Ų13842.6 Ų42.665%0.64526%0.256SS*.THydrogen-bonded Turntrans-98.511.1177.3-69.1173.631.500112.6R134 I135 D136 G140R134-Q138 VanDerWaalsContact O-CG 3.27Å; R134-Q138 WeakPolarHBondContact O-CG 3.28Å; R134-Q138 PolarHBondContact O-N 2.65Å; I135-Q138 PolarHBondContact O-N 3.16Å; I135-Q138 VanDerWaalsContact O-N 3.12Å; D136-Q138 PolarHBondContact O-N 2.93Å; D136-Q138 VanDerWaalsContact O-N 3.15Å; Q138-G140 VanDerWaalsContact C-N 3.34Å
139G97.8Very high98.7Very high76 Ų7642.6 Ų42.678%0.78426%0.256SS*.THydrogen-bonded Turntrans83.86.6178.800000114.5D136D136-G139 PolarHBondContact O-N 3.5Å; D136-G139 VanDerWaalsContact O-N 3.09Å
140G98.3Very high98.7Very high45 Ų4543.9 Ų43.946%0.46426%0.262SS..SBendtrans-89.6-167.6170.600000112.6I135 Q138I135-G140 PolarHBondContact O-N 2.67Å; I135-G140 VanDerWaalsContact O-N 3.15Å; Q138-G140 VanDerWaalsContact C-N 3.34Å
141S98.8Very high98.7Very high57 Ų5749.4 Ų49.440%0.39929%0.288SS..  trans-120.7110.7168.6179.20000110.1I143 Q144 T145S141-I143 VanDerWaalsContact C-N 3.29Å; S141-Q144 PolarHBondContact O-N 2.78Å; S141-Q144 PolarHBondContact OG-N 2.92Å; S141-Q144 VanDerWaalsContact OG-N 3.11Å; S141-T145 PolarHBondContact O-N 2.88Å; S141-T145 PolarHBondContact O-OG1 2.87Å
142G98.8Very high98.7Very high0 Ų050.6 Ų50.60%030%0.295CS..Hα-helixtrans-63.2-38.4173.300000111.4D136 T145 V146D136-G142 PolarHBondContact OD1-N 3.29Å; G142-T145 PolarHBondContact O-N 3.47Å; G142-V146 WeakPolarHBondContact O-CB 3.47Å; G142-V146 WeakPolarHBondContact O-CG2 3.36Å; G142-V146 PolarHBondContact O-N 3.22Å
143I98.8Very high98.7Very high38 Ų3850.7 Ų50.720%0.19530%0.296CS..Hα-helixtrans-66.2-42.2177.8-55.4-52.3000111.6V132 S141 V146 T147 D175V132-I143 HydrophobicContact CG1-CD1 3.89Å; S141-I143 VanDerWaalsContact C-N 3.29Å; I143-V146 PolarHBondContact O-N 2.83Å; I143-T147 WeakPolarHBondContact O-CB 3.37Å; I143-T147 PolarHBondContact O-N 3.41Å; I143-T147 PolarHBondContact O-OG1 3.12Å; I143-D175 HydrophobicContact CD1-CB 3.62Å; I143-D175 HydrophobicContact CG1-CB 4.03Å; I143-D175 HydrophobicContact CG2-CB 4.06Å
144Q98.9Very high98.7Very high99 Ų9954.6 Ų54.646%0.46331%0.311SS..Hα-helixtrans-63.9-44.8174.6-1706350.100110.9S141 V146 T147 D148S141-Q144 PolarHBondContact O-N 2.78Å; S141-Q144 PolarHBondContact OG-N 2.92Å; S141-Q144 VanDerWaalsContact OG-N 3.11Å; Q144-V146 VanDerWaalsContact C-N 3.28Å; Q144-V146 PolarHBondContact O-N 3.1Å; Q144-T147 PolarHBondContact O-N 2.91Å; Q144-T147 VanDerWaalsContact O-N 3.14Å; Q144-D148 PolarHBondContact NE2-OD1 3.46Å; Q144-D148 WeakPolarHBondContact O-CB 3.45Å; Q144-D148 VanDerWaalsContact O-CG 3.27Å; Q144-D148 PolarHBondContact O-N 2.84Å
145T98.9Very high98.7Very high20 Ų2054.8 Ų54.812%0.12332%0.318CS..Hα-helixtrans-57.1-42.1175.9-60.70000112P130 I135 S141 G142 L149P130-T145 HydrophobicContact CB-CG2 4.49Å; I135-T145 HydrophobicContact CD1-CG2 3.81Å; S141-T145 PolarHBondContact O-N 2.88Å; S141-T145 PolarHBondContact O-OG1 2.87Å; G142-T145 PolarHBondContact O-N 3.47Å; T145-L149 WeakPolarHBondContact O-CB 3.43Å; T145-L149 PolarHBondContact O-N 2.91Å
146V98.9Very high98.7Very high0 Ų059.3 Ų59.30%034%0.339CS..Hα-helixtrans-64.7-45.8175.9163.90000111.5P130 V132 G142 I143 Q144 L149 H150 C176 A179 C181P130-V146 HydrophobicContact CB-CG2 4.26Å; P130-V146 HydrophobicContact CG-CG2 3.63Å; V132-V146 HydrophobicContact CG2-CG2 3.69Å; G142-V146 WeakPolarHBondContact O-CB 3.47Å; G142-V146 WeakPolarHBondContact O-CG2 3.36Å; G142-V146 PolarHBondContact O-N 3.22Å; I143-V146 PolarHBondContact O-N 2.83Å; Q144-V146 VanDerWaalsContact C-N 3.28Å; Q144-V146 PolarHBondContact O-N 3.1Å; V146-L149 PolarHBondContact O-N 3.28Å; V146-H150 WeakPolarHBondContact O-CB 3.41Å; V146-H150 PolarHBondContact O-N 3.34Å; V146-C176 HydrophobicContact CG1-CB 4.24Å; V146-A179 HydrophobicContact CG1-CB 4.25Å; V146-C181 WeakPolarHBondContact CG1-SG 3.42Å
147T98.9Very high98.7Very high41 Ų4157.1 Ų57.125%0.25233%0.328SS..Hα-helixtrans-60-50-179.9-57.50000110.7I143 Q144 H150 Q151I143-T147 WeakPolarHBondContact O-CB 3.37Å; I143-T147 PolarHBondContact O-N 3.41Å; I143-T147 PolarHBondContact O-OG1 3.12Å; Q144-T147 PolarHBondContact O-N 2.91Å; Q144-T147 VanDerWaalsContact O-N 3.14Å; T147-H150 PolarHBondContact O-N 3.3Å; T147-Q151 PolarHBondContact O-N 3.01Å; T147-Q151 VanDerWaalsContact O-N 3.1Å
148D98.9Very high98.7Very high68 Ų6857.4 Ų57.436%0.36432%0.323SS..Hα-helixtrans-63.7-46.1179-65.1-13.1000110.9A114 Q144 H150 Q151 L152A114-D148 HydrophobicContact CB-CB 3.78Å; Q144-D148 PolarHBondContact NE2-OD1 3.46Å; Q144-D148 WeakPolarHBondContact O-CB 3.45Å; Q144-D148 VanDerWaalsContact O-CG 3.27Å; Q144-D148 PolarHBondContact O-N 2.84Å; D148-H150 PolarHBondContact O-N 3.41Å; D148-Q151 PolarHBondContact O-N 3.38Å; D148-L152 WeakPolarHBondContact O-CB 3.39Å; D148-L152 VanDerWaalsContact O-CG 3.3Å; D148-L152 WeakPolarHBondContact O-CG 3.08Å; D148-L152 PolarHBondContact O-N 3.15Å
149L98.9Very high98.7Very high0 Ų058.2 Ų58.20%033%0.327CS..Hα-helixtrans-60-46.4178.4177.662000111.1A114 V128 P130 T145 V146 Q151 L152 L153 V162A114-L149 HydrophobicContact CB-CB 4.17Å; V128-L149 HydrophobicContact CB-CD2 4.22Å; V128-L149 HydrophobicContact CG1-CD1 4.28Å; V128-L149 HydrophobicContact CG1-CD2 3.72Å; P130-L149 HydrophobicContact CB-CD2 4.36Å; P130-L149 HydrophobicContact CG-CD2 4Å; T145-L149 WeakPolarHBondContact O-CB 3.43Å; T145-L149 PolarHBondContact O-N 2.91Å; V146-L149 PolarHBondContact O-N 3.28Å; L149-Q151 PolarHBondContact O-N 3.26Å; L149-L152 PolarHBondContact O-N 2.88Å; L149-L153 HydrophobicContact CD1-CD1 4.42Å; L149-L153 HydrophobicContact CD1-CD2 4.1Å; L149-L153 HydrophobicContact CD1-CG 4.03Å; L149-L153 HydrophobicContact CG-CD1 4.41Å; L149-L153 HydrophobicContact CG-CG 4.33Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.03Å; L149-V162 HydrophobicContact CD2-CG1 4.38Å; L149-V162 HydrophobicContact CD2-CG2 4.07Å; L149-V162 HydrophobicContact CG-CG2 3.94Å
150H98.8Very high98.7Very high27 Ų2754.8 Ų54.813%0.12529%0.291CS..Hα-helixtrans-58.3-48.4178.5178.269.7000110.8V146 T147 D148 L152 L153 K154 V162 A179 G180 E182V146-H150 WeakPolarHBondContact O-CB 3.41Å; V146-H150 PolarHBondContact O-N 3.34Å; T147-H150 PolarHBondContact O-N 3.3Å; D148-H150 PolarHBondContact O-N 3.41Å; H150-L152 PolarHBondContact O-N 2.81Å; H150-L153 PolarHBondContact O-N 3.33Å; H150-K154 VanDerWaalsContact O-CG 3.29Å; H150-K154 WeakPolarHBondContact O-CG 3.43Å; H150-K154 PolarHBondContact O-N 3.44Å; H150-V162 HydrophobicContact CB-CG2 4.08Å; H150-A179 PolarHBondContact CD2-O 3.28Å; H150-A179 VanDerWaalsContact CD2-O 3.24Å; H150-G180 PolarHBondContact CE1-O 3.44Å; H150-G180 PolarHBondContact ND1-O 3.25Å; H150-E182 IonicContact CE1-OE1 2.68Å; H150-E182 PolarHBondContact CE1-OE1 3.29Å; H150-E182 IonicContact CE1-OE2 3.56Å; H150-E182 IonicContact ND1-OE1 3.5Å; H150-E182 IonicContact ND1-OE2 3.75Å; H150-E182 PolarHBondContact ND1-OE2 3.5Å
151Q98.8Very high98.7Very high117 Ų11755.4 Ų55.455%0.54728%0.281SS..Hα-helixtrans-59.4-44.3176.5-69.6-153.4-14.700112.8T147 D148 L149 L153 K154 M155T147-Q151 PolarHBondContact O-N 3.01Å; T147-Q151 VanDerWaalsContact O-N 3.1Å; D148-Q151 PolarHBondContact O-N 3.38Å; L149-Q151 PolarHBondContact O-N 3.26Å; Q151-L153 PolarHBondContact O-N 3.15Å; Q151-K154 PolarHBondContact O-N 3.09Å; Q151-M155 HydrophobicContact CB-CE 4.25Å; Q151-M155 WeakPolarHBondContact O-CE 3.44Å; Q151-M155 WeakPolarHBondContact O-CG 3.38Å; Q151-M155 PolarHBondContact O-N 3.01Å; Q151-M155 VanDerWaalsContact O-N 3.11Å
152L98.9Very high98.7Very high46 Ų4652.7 Ų52.724%0.24126%0.262CS..Hα-helixtrans-60.3-44.2176.9-72177000112.1A114 L118 D148 L149 H150 M155 H156A114-L152 HydrophobicContact CB-CD1 3.9Å; L118-L152 HydrophobicContact CB-CB 4.49Å; L118-L152 HydrophobicContact CB-CD1 4.35Å; L118-L152 HydrophobicContact CD1-CB 4.38Å; L118-L152 HydrophobicContact CD2-CB 4.24Å; L118-L152 HydrophobicContact CD2-CD1 4.25Å; L118-L152 HydrophobicContact CD2-CD2 4.31Å; D148-L152 WeakPolarHBondContact O-CB 3.39Å; D148-L152 VanDerWaalsContact O-CG 3.3Å; D148-L152 WeakPolarHBondContact O-CG 3.08Å; D148-L152 PolarHBondContact O-N 3.15Å; L149-L152 PolarHBondContact O-N 2.88Å; H150-L152 PolarHBondContact O-N 2.81Å; L152-M155 PolarHBondContact O-N 3.12Å; L152-H156 VanDerWaalsContact O-CB 3.31Å; L152-H156 WeakPolarHBondContact O-CB 3.38Å; L152-H156 PolarHBondContact O-N 3.4Å
153L98.8Very high98.8Very high1 Ų152.8 Ų52.81%0.00526%0.263CS..Hα-helixtrans-64-45.7177.8-64-169000111L118 A121 V128 L149 H150 Q151 M155 H156 A157 P158 A160 V162L118-L153 HydrophobicContact CD1-CD2 4.09Å; A121-L153 HydrophobicContact CB-CD2 3.47Å; A121-L153 VanDerWaalsContact CB-CD2 3.47Å; V128-L153 HydrophobicContact CB-CD1 4.31Å; V128-L153 HydrophobicContact CG2-CD1 4.01Å; V128-L153 HydrophobicContact CG2-CD2 4.35Å; L149-L153 HydrophobicContact CD1-CD1 4.42Å; L149-L153 HydrophobicContact CD1-CD2 4.1Å; L149-L153 HydrophobicContact CD1-CG 4.03Å; L149-L153 HydrophobicContact CG-CD1 4.41Å; L149-L153 HydrophobicContact CG-CG 4.33Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.03Å; H150-L153 PolarHBondContact O-N 3.33Å; Q151-L153 PolarHBondContact O-N 3.15Å; L153-M155 VanDerWaalsContact C-N 3.27Å; L153-M155 PolarHBondContact O-N 3.3Å; L153-H156 PolarHBondContact O-N 2.9Å; L153-A157 HydrophobicContact CD2-CB 4.19Å; L153-A157 CarbonylContact O-C 3.54Å; L153-A157 WeakPolarHBondContact O-CA 3.24Å; L153-A157 PolarHBondContact O-N 3.05Å; L153-P158 WeakPolarHBondContact O-CA 3.43Å; L153-P158 VanDerWaalsContact O-N 3.11Å; L153-A160 HydrophobicContact CD1-CB 4.21Å; L153-A160 HydrophobicContact CD2-CB 4.35Å; L153-V162 HydrophobicContact CD1-CG2 3.7Å
154K98.6Very high98.8Very high118 Ų11851 Ų5151%0.51325%0.253SS..Hα-helixtrans-58.2-38.2179-66.4-62.1-68.6-174.20113H150 Q151H150-K154 VanDerWaalsContact O-CG 3.29Å; H150-K154 WeakPolarHBondContact O-CG 3.43Å; H150-K154 PolarHBondContact O-N 3.44Å; Q151-K154 PolarHBondContact O-N 3.09Å
155M98.7Very high98.8Very high118 Ų11846.4 Ų46.458%0.58123%0.232SC*.Hα-helixtrans-86.4-35.1-177.9-66.9-174-68.800113.7Q151 L152 L153Q151-M155 HydrophobicContact CB-CE 4.25Å; Q151-M155 WeakPolarHBondContact O-CE 3.44Å; Q151-M155 WeakPolarHBondContact O-CG 3.38Å; Q151-M155 PolarHBondContact O-N 3.01Å; Q151-M155 VanDerWaalsContact O-N 3.11Å; L152-M155 PolarHBondContact O-N 3.12Å; L153-M155 VanDerWaalsContact C-N 3.27Å; L153-M155 PolarHBondContact O-N 3.3Å
156H98.8Very high98.7Very high107 Ų10746.7 Ų46.750%0.49524%0.236SC..Hα-helixtrans-121.4-15.8-165.4-55.6-53.3000114.6L118 L152 L153L118-H156 HydrophobicContact CD1-CB 4Å; L152-H156 VanDerWaalsContact O-CB 3.31Å; L152-H156 WeakPolarHBondContact O-CB 3.38Å; L152-H156 PolarHBondContact O-N 3.4Å; L153-H156 PolarHBondContact O-N 2.9Å
157A98.7Very high98.7Very high5 Ų547 Ų474%0.04124%0.237CC..  trans-147.260.4176.800000111L118 A121 L122 L153 Q159 A160L118-A157 HydrophobicContact CD1-CB 4.19Å; A121-A157 HydrophobicContact CB-CB 3.73Å; L122-A157 HydrophobicContact CD2-CB 4.35Å; L153-A157 HydrophobicContact CD2-CB 4.19Å; L153-A157 CarbonylContact O-C 3.54Å; L153-A157 WeakPolarHBondContact O-CA 3.24Å; L153-A157 PolarHBondContact O-N 3.05Å; A157-Q159 PolarHBondContact O-N 3.16Å; A157-A160 HydrophobicContact CB-CB 4.44Å; A157-A160 WeakPolarHBondContact O-CB 3.42Å; A157-A160 PolarHBondContact O-N 3.02Å
158P98.3Very high98.7Very high84 Ų8451.2 Ų51.255%0.54525%0.252SS..THydrogen-bonded Turntrans-66.6-8.7-166.127.1-36.7000114.9L153L153-P158 WeakPolarHBondContact O-CA 3.43Å; L153-P158 VanDerWaalsContact O-N 3.11Å
159Q97.8Very high98.7Very high155 Ų15550.8 Ų50.872%0.72425%0.252SS*.THydrogen-bonded Turntrans-81.7-19.1172.3-52.884.82.900112.8A157A157-Q159 PolarHBondContact O-N 3.16Å
160A98.8Very high98.7Very high5 Ų552.5 Ų52.54%0.04126%0.262CS..  trans-89.9152.7179.800000111.4A121 E126 L153 A157A121-A160 HydrophobicContact CB-CB 3.6Å; E126-A160 CarbonylContact O-C 3.41Å; E126-A160 VanDerWaalsContact O-CA 3.3Å; E126-A160 WeakPolarHBondContact O-CA 3.46Å; L153-A160 HydrophobicContact CD1-CB 4.21Å; L153-A160 HydrophobicContact CD2-CB 4.35Å; A157-A160 HydrophobicContact CB-CB 4.44Å; A157-A160 WeakPolarHBondContact O-CB 3.42Å; A157-A160 PolarHBondContact O-N 3.02Å
161K98.9Very high98.7Very high58 Ų5857.7 Ų57.725%0.25228%0.281SS..EExtended strand (participates in β ladder)trans-121.6148.9178.1-66171.5-170.2163.60110.7E2 E126 Y127 V128 E182E2-K161 IonicContact OE1-NZ 2.66Å; E2-K161 PolarHBondContact OE1-NZ 3.21Å; E2-K161 IonicContact OE2-NZ 3.92Å; E126-K161 PolarHBondContact O-N 3.27Å; Y127-K161 CarbonylContact C-O 3.53Å; Y127-K161 WeakPolarHBondContact CA-O 3.27Å; Y127-K161 HydrophobicContact CD1-CB 4.16Å; Y127-K161 HydrophobicContact CE1-CB 4.37Å; Y127-K161 HydrophobicContact CE1-CD 3.97Å; V128-K161 PolarHBondContact N-O 3.33Å; K161-E182 HydrophobicContact CB-CB 4.06Å; K161-E182 HydrophobicContact CD-CB 4.09Å; K161-E182 HydrophobicContact CG-CB 3.91Å; K161-E182 HydrophobicContact CG-CG 4.31Å
162V98.9Very high98.7Very high0 Ų053 Ų530%026%0.259CS..EExtended strand (participates in β ladder)trans-77.9126.7163.9-176.40000108.6P130 L149 H150 L153 A164 C181 E182 S183P130-V162 HydrophobicContact CG-CG1 3.98Å; L149-V162 HydrophobicContact CD2-CG1 4.38Å; L149-V162 HydrophobicContact CD2-CG2 4.07Å; L149-V162 HydrophobicContact CG-CG2 3.94Å; H150-V162 HydrophobicContact CB-CG2 4.08Å; L153-V162 HydrophobicContact CD1-CG2 3.7Å; V162-A164 HydrophobicContact CG1-CB 4.36Å; V162-C181 WeakPolarHBondContact CG1-SG 3.49Å; V162-E182 PolarHBondContact N-OE2 2.94Å; V162-S183 PolarHBondContact O-N 3.41Å; V162-S183 VanDerWaalsContact O-O 3.06Å; V162-S183 PolarHBondContact O-OG 3.3Å; V162-S183 VanDerWaalsContact O-OG 3.05Å
163L98.9Very high98.7Very high1 Ų150.9 Ų50.91%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-110.483.1167.2-166161.8000108.2Y4 T26 F57 L107 Y127 V128 A129 A165 S183 T185Y4-L163 HydrophobicContact CD2-CD1 3.78Å; Y4-L163 HydrophobicContact CD2-CG 4.21Å; Y4-L163 HydrophobicContact CE2-CD1 3.72Å; Y4-L163 HydrophobicContact CE2-CG 4.4Å; T26-L163 HydrophobicContact CG2-CD1 4.34Å; T26-L163 HydrophobicContact CG2-CD2 4.35Å; F57-L163 HydrophobicContact CE1-CD1 3.92Å; F57-L163 HydrophobicContact CE2-CD1 4.39Å; F57-L163 HydrophobicContact CZ-CD1 3.82Å; L107-L163 HydrophobicContact CD1-CB 4.29Å; L107-L163 HydrophobicContact CD1-CD1 3.79Å; L107-L163 HydrophobicContact CD1-CG 4.43Å; Y127-L163 HydrophobicContact CD1-CB 4.15Å; Y127-L163 HydrophobicContact CD1-CD1 4.03Å; Y127-L163 HydrophobicContact CG-CD1 4.41Å; V128-L163 PolarHBondContact O-N 3.33Å; A129-L163 VanDerWaalsContact CA-O 3.28Å; A129-L163 WeakPolarHBondContact CA-O 3.2Å; A129-L163 WeakPolarHBondContact CB-O 3.49Å; L163-A165 PolarHBondContact O-N 3.27Å; L163-S183 WeakPolarHBondContact CA-O 3.3Å; L163-S183 VanDerWaalsContact CA-OG 3.26Å; L163-S183 WeakPolarHBondContact CA-OG 3.47Å; L163-S183 WeakPolarHBondContact CB-OG 3.27Å; L163-S183 WeakPolarHBondContact CG-OG 3.29Å; L163-T185 HydrophobicContact CD2-CG2 3.54Å
164A98.9Very high98.7Very high0 Ų054.3 Ų54.30%027%0.266CS..EExtended strand (participates in β ladder)trans-63.9137.3-174.500000111V132 V162 F167 C176 S183 I184 T185V132-A164 HydrophobicContact CG2-CB 4.35Å; V162-A164 HydrophobicContact CG1-CB 4.36Å; A164-F167 HydrophobicContact CB-CZ 3.77Å; A164-F167 WeakPolarHBondContact O-CE2 3.48Å; A164-C176 HydrophobicContact CB-CB 4.01Å; A164-S183 PolarHBondContact N-O 3Å; A164-S183 VanDerWaalsContact N-O 3.08Å; A164-I184 HydrophobicContact CB-CG1 4.35Å; A164-I184 WeakPolarHBondContact O-CA 3.45Å; A164-T185 PolarHBondContact O-N 3.5Å
165A98.8Very high98.7Very high3 Ų350.5 Ų50.53%0.02525%0.251CS..BIsolated β-bridgetrans-140.2174.4-173.700000111.7P130 Y131 V132 L163 T185P130-A165 PolarHBondContact O-N 3.26Å; Y131-A165 HydrophobicContact CD1-CB 4.36Å; V132-A165 WeakPolarHBondContact CG2-O 2.99Å; V132-A165 PolarHBondContact N-O 2.81Å; L163-A165 PolarHBondContact O-N 3.27Å; A165-T185 HydrophobicContact CB-CG2 3.59Å
166S98.6Very high98.7Very high27 Ų2744.9 Ų44.919%0.18922%0.223CC..  trans61.680.4179172.40000112.3N133N133-S166 WeakPolarHBondContact CA-O 3.49Å; N133-S166 WeakPolarHBondContact CB-O 3.22Å; N133-S166 PolarHBondContact N-O 3.33Å
167F98.8Very high98.7Very high7 Ų742.7 Ų42.73%0.03122%0.215CC..  trans-112150.2178.3-59.3-73.5000112.1V132 A164 Q172 A173 I184 T185 L186 P187 V190V132-F167 HydrophobicContact CB-CE1 4.16Å; V132-F167 HydrophobicContact CG1-CE1 4.35Å; V132-F167 HydrophobicContact CG2-CE1 3.99Å; V132-F167 HydrophobicContact CG2-CZ 4.32Å; A164-F167 HydrophobicContact CB-CZ 3.77Å; A164-F167 WeakPolarHBondContact O-CE2 3.48Å; F167-Q172 HydrophobicContact CD1-CB 3.74Å; F167-Q172 HydrophobicContact CE1-CB 4.31Å; F167-A173 HydrophobicContact CD1-CB 4.17Å; F167-A173 HydrophobicContact CE1-CB 4.25Å; F167-A173 HydrophobicContact CG-CB 4.43Å; F167-I184 HydrophobicContact CE1-CD1 4.2Å; F167-I184 HydrophobicContact CE2-CD1 3.73Å; F167-I184 HydrophobicContact CE2-CG1 3.43Å; F167-I184 VanDerWaalsContact CE2-CG1 3.43Å; F167-I184 HydrophobicContact CZ-CD1 3.47Å; F167-I184 VanDerWaalsContact CZ-CD1 3.47Å; F167-I184 HydrophobicContact CZ-CG1 3.54Å; F167-T185 VanDerWaalsContact CD2-O 3.28Å; F167-T185 WeakPolarHBondContact CD2-O 3.25Å; F167-T185 VanDerWaalsContact CE2-O 3.24Å; F167-T185 WeakPolarHBondContact CE2-O 3.26Å; F167-L186 HydrophobicContact CD2-CD2 3.85Å; F167-L186 HydrophobicContact CE2-CD2 4.09Å; F167-L186 HydrophobicContact CG-CD2 4.48Å; F167-P187 HydrophobicContact CB-CG 4.42Å; F167-V190 HydrophobicContact CB-CG1 4.37Å; F167-V190 HydrophobicContact CB-CG2 4.14Å
168K98.6Very high98.7Very high129 Ų12948.3 Ų48.356%0.56124%0.244SC*.SBendtrans-121.1-14.9167.6-75-64.7-176.8-173.20113.5N133N133-K168 HydrophobicContact CB-CG 4.28Å; N133-K168 VanDerWaalsContact ND2-CG 3.33Å; N133-K168 WeakPolarHBondContact ND2-CG 3.46Å; N133-K168 WeakPolarHBondContact OD1-CB 3.36Å; N133-K168 VanDerWaalsContact OD1-CG 3.3Å; N133-K168 WeakPolarHBondContact OD1-CG 3.23Å
169T98.7Very high98.7Very high59 Ų5945.4 Ų45.436%0.36223%0.227SC..SBendtrans-137.6150.1176.468.40000111R171 Q172T169-R171 PolarHBondContact O-N 2.98Å; T169-Q172 VanDerWaalsContact N-OE1 3.1Å; T169-Q172 PolarHBondContact O-N 3.12Å; T169-Q172 PolarHBondContact OG1-N 3.23Å; T169-Q172 PolarHBondContact OG1-OE1 3.49Å
170P98.7Very high98.7Very high35 Ų3539.5 Ų39.523%0.22721%0.207CC..Hα-helixtrans-54.6-29.3166.9-31.338.5000113.7A173 L174 V190 Q193 M194P170-A173 WeakPolarHBondContact O-CB 3.45Å; P170-A173 PolarHBondContact O-N 2.81Å; P170-L174 PolarHBondContact O-N 2.91Å; P170-V190 HydrophobicContact CG-CG1 4.28Å; P170-Q193 VanDerWaalsContact CD-OE1 3.29Å; P170-Q193 HydrophobicContact CG-CB 3.65Å; P170-M194 HydrophobicContact CB-CG 3.66Å; P170-M194 HydrophobicContact CG-CG 3.99Å
171R98.7Very high98.6Very high137 Ų13739.5 Ų39.552%0.51721%0.207SC..Hα-helixtrans-66.3-43.8-178.9-178.661.8-157.5-170.50.8112.2T169 A173 L174 D175T169-R171 PolarHBondContact O-N 2.98Å; R171-A173 PolarHBondContact O-N 3.08Å; R171-L174 PolarHBondContact O-N 2.97Å; R171-D175 WeakPolarHBondContact CG-OD2 3.11Å; R171-D175 IonicContact CZ-OD1 3.07Å; R171-D175 IonicContact CZ-OD2 2.88Å; R171-D175 VanDerWaalsContact NE-CG 3.28Å; R171-D175 IonicContact NE-OD1 3.8Å; R171-D175 PolarHBondContact NE-OD1 3.31Å; R171-D175 IonicContact NE-OD2 2.67Å; R171-D175 PolarHBondContact NE-OD2 3.41Å; R171-D175 IonicContact NH2-OD1 3.73Å; R171-D175 PolarHBondContact NH2-OD1 3.05Å; R171-D175 IonicContact NH2-OD2 2.59Å; R171-D175 PolarHBondContact O-N 2.9Å
172Q98.9Very high98.6Very high19 Ų1938.5 Ų38.59%0.08920%0.204CC..Hα-helixtrans-58-40.3174.9-72.8166-45.100111.7V132 N133 D136 F167 T169 D175 C176V132-Q172 HydrophobicContact CG1-CB 4.4Å; N133-Q172 PolarHBondContact OD1-NE2 2.82Å; D136-Q172 PolarHBondContact OD2-NE2 2.99Å; F167-Q172 HydrophobicContact CD1-CB 3.74Å; F167-Q172 HydrophobicContact CE1-CB 4.31Å; T169-Q172 VanDerWaalsContact N-OE1 3.1Å; T169-Q172 PolarHBondContact O-N 3.12Å; T169-Q172 PolarHBondContact OG1-N 3.23Å; T169-Q172 PolarHBondContact OG1-OE1 3.49Å; Q172-D175 PolarHBondContact O-N 2.85Å; Q172-C176 PolarHBondContact O-N 3.46Å; Q172-C176 VanDerWaalsContact O-N 3.1Å; Q172-C176 PolarHBondContact O-SG 2.88Å
173A98.8Very high98.6Very high0 Ų038.5 Ų38.50%020%0.204CC..Hα-helixtrans-64.6-46.9176.800000111.7F167 P170 R171 D175 C176 L177 I184 L186 M194F167-A173 HydrophobicContact CD1-CB 4.17Å; F167-A173 HydrophobicContact CE1-CB 4.25Å; F167-A173 HydrophobicContact CG-CB 4.43Å; P170-A173 WeakPolarHBondContact O-CB 3.45Å; P170-A173 PolarHBondContact O-N 2.81Å; R171-A173 PolarHBondContact O-N 3.08Å; A173-D175 VanDerWaalsContact C-N 3.34Å; A173-D175 PolarHBondContact O-N 3.09Å; A173-C176 PolarHBondContact O-N 2.95Å; A173-L177 WeakPolarHBondContact O-CG 3.45Å; A173-L177 PolarHBondContact O-N 2.92Å; A173-L177 VanDerWaalsContact O-N 3.08Å; A173-I184 HydrophobicContact CB-CD1 3.62Å; A173-L186 HydrophobicContact CB-CD2 3.7Å; A173-M194 HydrophobicContact CB-SD 4.31Å
174L98.8Very high98.6Very high73 Ų7338.6 Ų38.638%0.38220%0.204SC..Hα-helixtrans-58.5-43.8175.3176.960.2000112P170 R171 C176 L177 L178P170-L174 PolarHBondContact O-N 2.91Å; R171-L174 PolarHBondContact O-N 2.97Å; L174-C176 VanDerWaalsContact C-N 3.33Å; L174-C176 PolarHBondContact O-N 3.27Å; L174-L177 WeakPolarHBondContact O-CB 3.46Å; L174-L177 PolarHBondContact O-N 2.95Å; L174-L178 HydrophobicContact CD1-CD1 4.23Å; L174-L178 HydrophobicContact CD1-CG 4.18Å; L174-L178 HydrophobicContact CG-CD1 4.02Å; L174-L178 HydrophobicContact CG-CG 4.42Å; L174-L178 WeakPolarHBondContact O-CG 3.5Å; L174-L178 PolarHBondContact O-N 3.1Å
175D98.9Very high98.6Very high38 Ų3838.6 Ų38.620%0.20320%0.204CC..Hα-helixtrans-63.9-36.7178.8-75.3-37.6000112.5I143 R171 Q172 A173 L178 A179I143-D175 HydrophobicContact CD1-CB 3.62Å; I143-D175 HydrophobicContact CG1-CB 4.03Å; I143-D175 HydrophobicContact CG2-CB 4.06Å; R171-D175 WeakPolarHBondContact CG-OD2 3.11Å; R171-D175 IonicContact CZ-OD1 3.07Å; R171-D175 IonicContact CZ-OD2 2.88Å; R171-D175 VanDerWaalsContact NE-CG 3.28Å; R171-D175 IonicContact NE-OD1 3.8Å; R171-D175 PolarHBondContact NE-OD1 3.31Å; R171-D175 IonicContact NE-OD2 2.67Å; R171-D175 PolarHBondContact NE-OD2 3.41Å; R171-D175 IonicContact NH2-OD1 3.73Å; R171-D175 PolarHBondContact NH2-OD1 3.05Å; R171-D175 IonicContact NH2-OD2 2.59Å; R171-D175 PolarHBondContact O-N 2.9Å; Q172-D175 PolarHBondContact O-N 2.85Å; A173-D175 VanDerWaalsContact C-N 3.34Å; A173-D175 PolarHBondContact O-N 3.09Å; D175-L178 PolarHBondContact O-N 3.48Å; D175-A179 WeakPolarHBondContact O-CB 3.47Å; D175-A179 PolarHBondContact O-N 3.04Å
176C98.8Very high98.6Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-64.9-40.6172.7-66.40000112.1V146 A164 Q172 A173 L174 A179 G180 C181 I184V146-C176 HydrophobicContact CG1-CB 4.24Å; A164-C176 HydrophobicContact CB-CB 4.01Å; Q172-C176 PolarHBondContact O-N 3.46Å; Q172-C176 VanDerWaalsContact O-N 3.1Å; Q172-C176 PolarHBondContact O-SG 2.88Å; A173-C176 PolarHBondContact O-N 2.95Å; L174-C176 VanDerWaalsContact C-N 3.33Å; L174-C176 PolarHBondContact O-N 3.27Å; C176-A179 PolarHBondContact O-N 3.36Å; C176-G180 PolarHBondContact O-N 3.35Å; C176-C181 VanDerWaalsContact O-CB 3.29Å; C176-C181 WeakPolarHBondContact O-CB 3.33Å; C176-C181 PolarHBondContact O-N 3.45Å; C176-C181 VanDerWaalsContact O-N 3.17Å; C176-C181 PolarHBondContact O-SG 2.96Å; C176-I184 HydrophobicContact CB-CD1 4.48Å
177L98.8Very high98.6Very high61 Ų6138.5 Ų38.532%0.31920%0.202SC..Hα-helixtrans-65.3-41.9176.5-66.9170.4000111.3M1 A173 L174 A179 G180 I184M1-L177 HydrophobicContact CG-CD2 4.1Å; M1-L177 HydrophobicContact SD-CD2 3.99Å; A173-L177 WeakPolarHBondContact O-CG 3.45Å; A173-L177 PolarHBondContact O-N 2.92Å; A173-L177 VanDerWaalsContact O-N 3.08Å; L174-L177 WeakPolarHBondContact O-CB 3.46Å; L174-L177 PolarHBondContact O-N 2.95Å; L177-A179 VanDerWaalsContact C-N 3.28Å; L177-A179 PolarHBondContact O-N 3.14Å; L177-G180 PolarHBondContact O-N 3.49Å; L177-I184 HydrophobicContact CD2-CG2 4.26Å; L177-I184 HydrophobicContact CG-CD1 4.38Å
178L98.7Very high98.6Very high123 Ų12340.1 Ų40.164%0.64421%0.211SC*.Hα-helixtrans-65.5-30.4175.7-71.1171.8000112.7L174 D175 G180L174-L178 HydrophobicContact CD1-CD1 4.23Å; L174-L178 HydrophobicContact CD1-CG 4.18Å; L174-L178 HydrophobicContact CG-CD1 4.02Å; L174-L178 HydrophobicContact CG-CG 4.42Å; L174-L178 WeakPolarHBondContact O-CG 3.5Å; L174-L178 PolarHBondContact O-N 3.1Å; D175-L178 PolarHBondContact O-N 3.48Å; L178-G180 PolarHBondContact O-N 3.21Å
179A98.6Very high98.6Very high23 Ų2337.1 Ų37.119%0.1920%0.201CC..THydrogen-bonded Turntrans-72.8-7.4172.900000113.8V146 H150 D175 C176 L177V146-A179 HydrophobicContact CG1-CB 4.25Å; H150-A179 PolarHBondContact CD2-O 3.28Å; H150-A179 VanDerWaalsContact CD2-O 3.24Å; D175-A179 WeakPolarHBondContact O-CB 3.47Å; D175-A179 PolarHBondContact O-N 3.04Å; C176-A179 PolarHBondContact O-N 3.36Å; L177-A179 VanDerWaalsContact C-N 3.28Å; L177-A179 PolarHBondContact O-N 3.14Å
180G98.1Very high98.6Very high31 Ų3134.3 Ų34.332%0.3218%0.184SC..THydrogen-bonded Turntrans102.56.2174.900000115.7H150 C176 L177 L178 E182H150-G180 PolarHBondContact CE1-O 3.44Å; H150-G180 PolarHBondContact ND1-O 3.25Å; C176-G180 PolarHBondContact O-N 3.35Å; L177-G180 PolarHBondContact O-N 3.49Å; L178-G180 PolarHBondContact O-N 3.21Å; G180-E182 PolarHBondContact O-N 3.32Å
181C96Very high98.6Very high5 Ų532.7 Ų32.73%0.03417%0.173CC..  trans-50.5123.7178.7-80.20000112.5V146 V162 C176 S183V146-C181 WeakPolarHBondContact CG1-SG 3.42Å; V162-C181 WeakPolarHBondContact CG1-SG 3.49Å; C176-C181 VanDerWaalsContact O-CB 3.29Å; C176-C181 WeakPolarHBondContact O-CB 3.33Å; C176-C181 PolarHBondContact O-N 3.45Å; C176-C181 VanDerWaalsContact O-N 3.17Å; C176-C181 PolarHBondContact O-SG 2.96Å; C181-S183 VanDerWaalsContact C-N 3.33Å
182E98.6Very high98.6Very high38 Ų3831.4 Ų31.418%0.17817%0.173CC..SBendtrans-77.6-19.9-179.2-60.396.5152.800113.5M1 E2 H150 K161 V162 G180M1-E182 CarbonylContact C-O 2.91Å; M1-E182 WeakPolarHBondContact CA-O 3.42Å; M1-E182 VanDerWaalsContact SD-O 3.35Å; E2-E182 PolarHBondContact N-O 3.39Å; H150-E182 IonicContact CE1-OE1 2.68Å; H150-E182 PolarHBondContact CE1-OE1 3.29Å; H150-E182 IonicContact CE1-OE2 3.56Å; H150-E182 IonicContact ND1-OE1 3.5Å; H150-E182 IonicContact ND1-OE2 3.75Å; H150-E182 PolarHBondContact ND1-OE2 3.5Å; K161-E182 HydrophobicContact CB-CB 4.06Å; K161-E182 HydrophobicContact CD-CB 4.09Å; K161-E182 HydrophobicContact CG-CB 3.91Å; K161-E182 HydrophobicContact CG-CG 4.31Å; V162-E182 PolarHBondContact N-OE2 2.94Å; G180-E182 PolarHBondContact O-N 3.32Å
183S98.8Very high98.6Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-145.9157.5173.658.90000112.9E2 V162 L163 A164 C181E2-S183 VanDerWaalsContact O-CA 3.29Å; E2-S183 WeakPolarHBondContact O-CA 3.23Å; E2-S183 WeakPolarHBondContact O-CB 3.19Å; V162-S183 PolarHBondContact O-N 3.41Å; V162-S183 VanDerWaalsContact O-O 3.06Å; V162-S183 PolarHBondContact O-OG 3.3Å; V162-S183 VanDerWaalsContact O-OG 3.05Å; L163-S183 WeakPolarHBondContact CA-O 3.3Å; L163-S183 VanDerWaalsContact CA-OG 3.26Å; L163-S183 WeakPolarHBondContact CA-OG 3.47Å; L163-S183 WeakPolarHBondContact CB-OG 3.27Å; L163-S183 WeakPolarHBondContact CG-OG 3.29Å; A164-S183 PolarHBondContact N-O 3Å; A164-S183 VanDerWaalsContact N-O 3.08Å; C181-S183 VanDerWaalsContact C-N 3.33Å
184I98.9Very high98.5Very high3 Ų337.4 Ų37.42%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-149.7143.4-177.6-166.3167.6000110.3M1 E2 L3 Y4 A164 F167 A173 C176 L177 L186M1-I184 HydrophobicContact CE-CG2 4.09Å; M1-I184 HydrophobicContact SD-CG2 4.26Å; E2-I184 PolarHBondContact O-N 3.28Å; E2-I184 VanDerWaalsContact O-N 3.08Å; L3-I184 HydrophobicContact CD1-CG2 3.71Å; Y4-I184 PolarHBondContact N-O 3.02Å; A164-I184 HydrophobicContact CB-CG1 4.35Å; A164-I184 WeakPolarHBondContact O-CA 3.45Å; F167-I184 HydrophobicContact CE1-CD1 4.2Å; F167-I184 HydrophobicContact CE2-CD1 3.73Å; F167-I184 HydrophobicContact CE2-CG1 3.43Å; F167-I184 VanDerWaalsContact CE2-CG1 3.43Å; F167-I184 HydrophobicContact CZ-CD1 3.47Å; F167-I184 VanDerWaalsContact CZ-CD1 3.47Å; F167-I184 HydrophobicContact CZ-CG1 3.54Å; A173-I184 HydrophobicContact CB-CD1 3.62Å; C176-I184 HydrophobicContact CB-CD1 4.48Å; L177-I184 HydrophobicContact CD2-CG2 4.26Å; L177-I184 HydrophobicContact CG-CD1 4.38Å; I184-L186 HydrophobicContact CD1-CD2 3.89Å; I184-L186 HydrophobicContact CG1-CD2 3.99Å
185T98.9Very high98.4Very high0 Ų037.9 Ų37.90%020%0.204CC..EExtended strand (participates in β ladder)trans-121121.3173-167.40000112Y4 L5 D6 T26 L163 A164 A165 F167Y4-T185 WeakPolarHBondContact O-CA 3.44Å; L5-T185 VanDerWaalsContact C-OG1 3.24Å; L5-T185 PolarHBondContact O-OG1 3.38Å; D6-T185 WeakPolarHBondContact CA-OG1 3.3Å; D6-T185 HydrophobicContact CB-CG2 4.05Å; D6-T185 WeakPolarHBondContact CB-OG1 3.33Å; D6-T185 PolarHBondContact N-OG1 3.11Å; D6-T185 VanDerWaalsContact N-OG1 3.16Å; T26-T185 HydrophobicContact CG2-CG2 4.29Å; T26-T185 WeakPolarHBondContact OG1-CB 3.29Å; T26-T185 WeakPolarHBondContact OG1-CG2 3.28Å; T26-T185 PolarHBondContact OG1-OG1 3.1Å; L163-T185 HydrophobicContact CD2-CG2 3.54Å; A164-T185 PolarHBondContact O-N 3.5Å; A165-T185 HydrophobicContact CB-CG2 3.59Å; F167-T185 VanDerWaalsContact CD2-O 3.28Å; F167-T185 WeakPolarHBondContact CD2-O 3.25Å; F167-T185 VanDerWaalsContact CE2-O 3.24Å; F167-T185 WeakPolarHBondContact CE2-O 3.26Å
186L98.9Very high98.3Very high3 Ų339.4 Ų39.42%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-103.3132.6-172.8-58.1-179.2000111.1L3 Y4 L5 D6 F167 A173 I184 V190 A191 M194L3-L186 HydrophobicContact CD1-CD1 3.82Å; L3-L186 HydrophobicContact CD1-CG 4.05Å; Y4-L186 PolarHBondContact O-N 3.45Å; L5-L186 CarbonylContact C-O 3.49Å; L5-L186 WeakPolarHBondContact CA-O 3.39Å; D6-L186 PolarHBondContact N-O 3.23Å; F167-L186 HydrophobicContact CD2-CD2 3.85Å; F167-L186 HydrophobicContact CE2-CD2 4.09Å; F167-L186 HydrophobicContact CG-CD2 4.48Å; A173-L186 HydrophobicContact CB-CD2 3.7Å; I184-L186 HydrophobicContact CD1-CD2 3.89Å; I184-L186 HydrophobicContact CG1-CD2 3.99Å; L186-V190 HydrophobicContact CD2-CG1 4.26Å; L186-A191 HydrophobicContact CB-CB 4.14Å; L186-A191 HydrophobicContact CD1-CB 4.31Å; L186-M194 HydrophobicContact CD1-CE 4.49Å; L186-M194 HydrophobicContact CD1-SD 3.48Å; L186-M194 WeakPolarHBondContact CD1-SD 3.49Å; L186-M194 HydrophobicContact CD2-SD 4.39Å
187P98.8Very high98.3Very high24 Ų2445.3 Ų45.316%0.15624%0.241CC..  trans-65.5157.6164.531.8-34.8000110.1F167 D189 V190 A191F167-P187 HydrophobicContact CB-CG 4.42Å; P187-D189 VanDerWaalsContact C-N 3.32Å; P187-D189 WeakPolarHBondContact CB-OD1 3.17Å; P187-D189 WeakPolarHBondContact CG-OD1 3.48Å; P187-D189 PolarHBondContact O-N 3.01Å; P187-V190 HydrophobicContact CG-CB 3.94Å; P187-V190 HydrophobicContact CG-CG2 3.74Å; P187-V190 PolarHBondContact O-N 3.43Å; P187-A191 PolarHBondContact O-N 2.85Å
188L98.7Very high98.2Very high41 Ų4147.3 Ų47.322%0.21526%0.257CS..Hα-helixtrans-56.8-42.2-171-64.1-178000113.5L5 T7 D9 A12 L16 A191 Q192L5-L188 HydrophobicContact CD1-CD2 4.44Å; T7-L188 HydrophobicContact CG2-CD2 3.92Å; D9-L188 HydrophobicContact CB-CD1 4.24Å; A12-L188 HydrophobicContact CB-CD1 3.72Å; A12-L188 HydrophobicContact CB-CD2 3.94Å; L16-L188 HydrophobicContact CD1-CD2 3.76Å; L188-A191 PolarHBondContact O-N 3.26Å; L188-Q192 WeakPolarHBondContact O-CB 3.41Å; L188-Q192 VanDerWaalsContact O-CG 3.26Å; L188-Q192 WeakPolarHBondContact O-CG 3.38Å; L188-Q192 PolarHBondContact O-N 3.03Å
189D98.5Very high98.2Very high67 Ų6745.2 Ų45.236%0.35826%0.258SS..Hα-helixtrans-64-45.9-179.159.7-27.1000111.9P187 Q192 Q193P187-D189 VanDerWaalsContact C-N 3.32Å; P187-D189 WeakPolarHBondContact CB-OD1 3.17Å; P187-D189 WeakPolarHBondContact CG-OD1 3.48Å; P187-D189 PolarHBondContact O-N 3.01Å; D189-Q192 PolarHBondContact O-N 3.47Å; D189-Q193 WeakPolarHBondContact O-CB 3.41Å; D189-Q193 VanDerWaalsContact O-CG 3.22Å; D189-Q193 WeakPolarHBondContact O-CG 3.45Å; D189-Q193 PolarHBondContact O-N 2.95Å
190V98.8Very high98.2Very high0 Ų048.3 Ų48.30%027%0.274CS..Hα-helixtrans-66-41.4177.1175.50000110.9F167 P170 L186 P187 Q192 Q193 M194F167-V190 HydrophobicContact CB-CG1 4.37Å; F167-V190 HydrophobicContact CB-CG2 4.14Å; P170-V190 HydrophobicContact CG-CG1 4.28Å; L186-V190 HydrophobicContact CD2-CG1 4.26Å; P187-V190 HydrophobicContact CG-CB 3.94Å; P187-V190 HydrophobicContact CG-CG2 3.74Å; P187-V190 PolarHBondContact O-N 3.43Å; V190-Q192 PolarHBondContact O-N 3.12Å; V190-Q193 PolarHBondContact O-N 3.41Å; V190-M194 HydrophobicContact CG1-SD 4.39Å; V190-M194 WeakPolarHBondContact O-CG 3.31Å; V190-M194 PolarHBondContact O-N 2.95Å
191A98.7Very high98.2Very high0 Ų052.6 Ų52.60%029%0.286CS..Hα-helixtrans-59.4-47.7175.300000111.2L5 F20 L186 P187 L188 Q193 M194L5-A191 HydrophobicContact CD2-CB 3.87Å; F20-A191 HydrophobicContact CE2-CB 4.48Å; F20-A191 HydrophobicContact CZ-CB 4.25Å; F20-A191 VanDerWaalsContact CZ-O 3.23Å; F20-A191 WeakPolarHBondContact CZ-O 3.3Å; L186-A191 HydrophobicContact CB-CB 4.14Å; L186-A191 HydrophobicContact CD1-CB 4.31Å; P187-A191 PolarHBondContact O-N 2.85Å; L188-A191 PolarHBondContact O-N 3.26Å; A191-Q193 PolarHBondContact O-N 2.99Å; A191-M194 WeakPolarHBondContact O-CB 3.26Å; A191-M194 PolarHBondContact O-N 3.35Å; A191-M194 VanDerWaalsContact O-N 3.14Å
192Q98.1Very high98.4Very high110 Ų11055.2 Ų55.251%0.51431%0.308SS..Hα-helixtrans-62.7-40.8178.1-72.9172.3-3300112.7L188 D189 V190 M194 I195 S196L188-Q192 WeakPolarHBondContact O-CB 3.41Å; L188-Q192 VanDerWaalsContact O-CG 3.26Å; L188-Q192 WeakPolarHBondContact O-CG 3.38Å; L188-Q192 PolarHBondContact O-N 3.03Å; D189-Q192 PolarHBondContact O-N 3.47Å; V190-Q192 PolarHBondContact O-N 3.12Å; Q192-M194 VanDerWaalsContact C-N 3.26Å; Q192-M194 PolarHBondContact O-N 3.28Å; Q192-I195 WeakPolarHBondContact O-CG1 3.44Å; Q192-I195 PolarHBondContact O-N 3.04Å; Q192-S196 PolarHBondContact O-N 3.28Å
193Q98.4Very high98.4Very high94 Ų9455.5 Ų55.544%0.43932%0.317SS..Hα-helixtrans-63.6-30.1175.3-71.7167.430.400112.7P170 D189 V190 A191 I195P170-Q193 VanDerWaalsContact CD-OE1 3.29Å; P170-Q193 HydrophobicContact CG-CB 3.65Å; D189-Q193 WeakPolarHBondContact O-CB 3.41Å; D189-Q193 VanDerWaalsContact O-CG 3.22Å; D189-Q193 WeakPolarHBondContact O-CG 3.45Å; D189-Q193 PolarHBondContact O-N 2.95Å; V190-Q193 PolarHBondContact O-N 3.41Å; A191-Q193 PolarHBondContact O-N 2.99Å; Q193-I195 PolarHBondContact O-N 3.33Å
194M97.9Very high98.4Very high52 Ų5258.9 Ų58.926%0.25634%0.337SS..THydrogen-bonded Turntrans-71.7-8.6179.5-79.5-178.173.700114.8P170 A173 L186 V190 A191 Q192 Y197P170-M194 HydrophobicContact CB-CG 3.66Å; P170-M194 HydrophobicContact CG-CG 3.99Å; A173-M194 HydrophobicContact CB-SD 4.31Å; L186-M194 HydrophobicContact CD1-CE 4.49Å; L186-M194 HydrophobicContact CD1-SD 3.48Å; L186-M194 WeakPolarHBondContact CD1-SD 3.49Å; L186-M194 HydrophobicContact CD2-SD 4.39Å; V190-M194 HydrophobicContact CG1-SD 4.39Å; V190-M194 WeakPolarHBondContact O-CG 3.31Å; V190-M194 PolarHBondContact O-N 2.95Å; A191-M194 WeakPolarHBondContact O-CB 3.26Å; A191-M194 PolarHBondContact O-N 3.35Å; A191-M194 VanDerWaalsContact O-N 3.14Å; Q192-M194 VanDerWaalsContact C-N 3.26Å; Q192-M194 PolarHBondContact O-N 3.28Å; M194-Y197 WeakPolarHBondContact O-CE2 3.34Å; M194-Y197 PolarHBondContact O-OH 3.43Å
195I97.3Very high98.3Very high82 Ų8261.1 Ų61.142%0.42136%0.356SS..THydrogen-bonded Turntrans-125-0.3-179.359.8164.8000113.7I19 F20 Q192 Q193I19-I195 HydrophobicContact CG2-CD1 3.85Å; F20-I195 HydrophobicContact CE1-CG2 3.52Å; F20-I195 HydrophobicContact CE2-CD1 3.63Å; F20-I195 HydrophobicContact CE2-CG1 4.29Å; F20-I195 HydrophobicContact CE2-CG2 4.33Å; F20-I195 HydrophobicContact CZ-CB 4.2Å; F20-I195 HydrophobicContact CZ-CD1 3.66Å; F20-I195 HydrophobicContact CZ-CG1 3.82Å; F20-I195 HydrophobicContact CZ-CG2 3.37Å; Q192-I195 WeakPolarHBondContact O-CG1 3.44Å; Q192-I195 PolarHBondContact O-N 3.04Å; Q193-I195 PolarHBondContact O-N 3.33Å
196S96.1Very high98.3Very high71 Ų7165.8 Ų65.850%0.49738%0.377SS..  trans-108108.4178.1-178.60000110Q192Q192-S196 PolarHBondContact O-N 3.28Å
197Y98.2Very high98.3Very high124 Ų12472.8 Ų72.849%0.48641%0.407SS..  trans-128.7113-178.1-65.4-89.6000110M194 A199 V200 E201M194-Y197 WeakPolarHBondContact O-CE2 3.34Å; M194-Y197 PolarHBondContact O-OH 3.43Å; Y197-A199 PolarHBondContact O-N 2.91Å; Y197-A199 VanDerWaalsContact O-N 3.14Å; Y197-V200 HydrophobicContact CD2-CG2 4.48Å; Y197-V200 HydrophobicContact CG-CG2 4.26Å; Y197-V200 WeakPolarHBondContact O-CB 3.41Å; Y197-V200 PolarHBondContact O-N 3.14Å; Y197-E201 PolarHBondContact O-N 3.05Å
198P98.1Very high98.3Very high102 Ų10276.4 Ų76.466%0.66242%0.422SS*.Hα-helixtrans-56.5-33.8178.9-2835.3000113.5V200 E201 A202P198-V200 VanDerWaalsContact C-N 3.32Å; P198-V200 PolarHBondContact O-N 3.42Å; P198-E201 PolarHBondContact O-N 3.21Å; P198-A202 WeakPolarHBondContact O-CB 3.41Å; P198-A202 PolarHBondContact O-N 3.47Å
199A98.5Very high98.3Very high80 Ų8080.7 Ų80.766%0.66144%0.441SS*.Hα-helixtrans-66.2-32.9176.100000112.9Y197 A203Y197-A199 PolarHBondContact O-N 2.91Å; Y197-A199 VanDerWaalsContact O-N 3.14Å; A199-A203 WeakPolarHBondContact O-CB 3.35Å; A199-A203 PolarHBondContact O-N 3.11Å
200V98.5Very high98.3Very high87 Ų8781.4 Ų81.453%0.52745%0.445SS..Hα-helixtrans-70.6-45.9175.9174.10000109.8Y197 P198 A202 A203 V204Y197-V200 HydrophobicContact CD2-CG2 4.48Å; Y197-V200 HydrophobicContact CG-CG2 4.26Å; Y197-V200 WeakPolarHBondContact O-CB 3.41Å; Y197-V200 PolarHBondContact O-N 3.14Å; P198-V200 VanDerWaalsContact C-N 3.32Å; P198-V200 PolarHBondContact O-N 3.42Å; V200-A202 VanDerWaalsContact C-N 3.34Å; V200-A202 PolarHBondContact O-N 2.93Å; V200-A203 PolarHBondContact O-N 3.05Å; V200-V204 WeakPolarHBondContact O-CG2 3.45Å; V200-V204 PolarHBondContact O-N 3.24Å
201E98.2Very high98.3Very high121 Ų12186 Ų8657%0.56546%0.462SS*.Hα-helixtrans-59.9-44.3176.4-66.8175.1-168.200111.6Y197 P198 A203 V204 A205Y197-E201 PolarHBondContact O-N 3.05Å; P198-E201 PolarHBondContact O-N 3.21Å; E201-A203 VanDerWaalsContact C-N 3.33Å; E201-A203 PolarHBondContact O-N 3.32Å; E201-V204 PolarHBondContact O-N 2.93Å; E201-A205 WeakPolarHBondContact O-CB 3.22Å; E201-A205 PolarHBondContact O-N 3.44Å
202A98.6Very high98.3Very high61 Ų6190 Ų9050%0.50448%0.481SS..Hα-helixtrans-62.2-39.1176.300000112.6P198 V200 K206P198-A202 WeakPolarHBondContact O-CB 3.41Å; P198-A202 PolarHBondContact O-N 3.47Å; V200-A202 VanDerWaalsContact C-N 3.34Å; V200-A202 PolarHBondContact O-N 2.93Å; A202-K206 WeakPolarHBondContact O-CB 3.28Å; A202-K206 PolarHBondContact O-N 3.17Å
203A98.7Very high98.3Very high43 Ų4388.1 Ų88.136%0.35549%0.491SS..Hα-helixtrans-65.1-44.9176.200000111.7A199 V200 E201 K206 F207A199-A203 WeakPolarHBondContact O-CB 3.35Å; A199-A203 PolarHBondContact O-N 3.11Å; V200-A203 PolarHBondContact O-N 3.05Å; E201-A203 VanDerWaalsContact C-N 3.33Å; E201-A203 PolarHBondContact O-N 3.32Å; A203-K206 PolarHBondContact O-N 3.01Å; A203-F207 VanDerWaalsContact O-CD2 3.28Å; A203-F207 WeakPolarHBondContact O-CD2 3.46Å; A203-F207 WeakPolarHBondContact O-CG 3.44Å; A203-F207 PolarHBondContact O-N 2.68Å
204V98.6Very high98.3Very high71 Ų7187 Ų8743%0.4350%0.498SS..Hα-helixtrans-61.5-47176.7174.10000111V200 E201 K206 F207 E208V200-V204 WeakPolarHBondContact O-CG2 3.45Å; V200-V204 PolarHBondContact O-N 3.24Å; E201-V204 PolarHBondContact O-N 2.93Å; V204-K206 VanDerWaalsContact C-N 3.27Å; V204-K206 PolarHBondContact O-N 3.31Å; V204-F207 WeakPolarHBondContact O-CB 3.43Å; V204-F207 PolarHBondContact O-N 2.59Å; V204-F207 VanDerWaalsContact O-N 3.11Å; V204-E208 PolarHBondContact O-N 3Å
205A98.3Very high98.3Very high51 Ų5190.1 Ų90.142%0.42151%0.511SS..Hα-helixtrans-60.1-37.7177.100000112.1E201 E208 Q209E201-A205 WeakPolarHBondContact O-CB 3.22Å; E201-A205 PolarHBondContact O-N 3.44Å; A205-E208 PolarHBondContact O-N 2.98Å; A205-Q209 WeakPolarHBondContact O-CB 3.34Å; A205-Q209 PolarHBondContact O-N 3.44Å
206K98.7Very high98.3Very high98 Ų9888.9 Ų88.943%0.42652%0.518SS..Hα-helixtrans-65.7-39.6176-173.959.1170.777.50112.1A202 A203 V204 Q209 D210A202-K206 WeakPolarHBondContact O-CB 3.28Å; A202-K206 PolarHBondContact O-N 3.17Å; A203-K206 PolarHBondContact O-N 3.01Å; V204-K206 VanDerWaalsContact C-N 3.27Å; V204-K206 PolarHBondContact O-N 3.31Å; K206-Q209 PolarHBondContact O-N 3.42Å; K206-D210 IonicContact NZ-OD1 3.2Å; K206-D210 PolarHBondContact NZ-OD1 2.8Å; K206-D210 IonicContact NZ-OD2 2.95Å; K206-D210 PolarHBondContact NZ-OD2 3.47Å; K206-D210 PolarHBondContact O-N 3.04Å
207F98.7Very high98.4Very high149 Ų14991.2 Ų91.265%0.65452%0.516SS*.Hα-helixtrans-62.3-45.4174.3-62-38.3000111.8A203 V204 Q209 D210 W211A203-F207 VanDerWaalsContact O-CD2 3.28Å; A203-F207 WeakPolarHBondContact O-CD2 3.46Å; A203-F207 WeakPolarHBondContact O-CG 3.44Å; A203-F207 PolarHBondContact O-N 2.68Å; V204-F207 WeakPolarHBondContact O-CB 3.43Å; V204-F207 PolarHBondContact O-N 2.59Å; V204-F207 VanDerWaalsContact O-N 3.11Å; F207-Q209 VanDerWaalsContact C-N 3.32Å; F207-Q209 PolarHBondContact O-N 2.67Å; F207-D210 PolarHBondContact O-N 3.37Å; F207-W211 WeakPolarHBondContact O-CB 3.45Å; F207-W211 PolarHBondContact O-N 2.99Å
208E98.6Very high98.4Very high100 Ų10089.5 Ų89.547%0.46752%0.519SS..Hα-helixtrans-61.4-40.7177.1-69.5177.5169.100111.9V204 A205 W211 Q212 T218V204-E208 PolarHBondContact O-N 3Å; A205-E208 PolarHBondContact O-N 2.98Å; E208-W211 PolarHBondContact O-N 2.94Å; E208-Q212 WeakPolarHBondContact O-CB 3.3Å; E208-Q212 PolarHBondContact O-N 3.49Å; E208-T218 HydrophobicContact CB-CG2 4.36Å
209Q98.6Very high98.3Very high131 Ų13188 Ų8861%0.61251%0.51SS*.Hα-helixtrans-63.4-46.6177.7-173.4-177.914.400112A205 K206 F207 W211 Q212 G213A205-Q209 WeakPolarHBondContact O-CB 3.34Å; A205-Q209 PolarHBondContact O-N 3.44Å; K206-Q209 PolarHBondContact O-N 3.42Å; F207-Q209 VanDerWaalsContact C-N 3.32Å; F207-Q209 PolarHBondContact O-N 2.67Å; Q209-W211 VanDerWaalsContact C-N 3.32Å; Q209-W211 PolarHBondContact O-N 3.39Å; Q209-Q212 PolarHBondContact O-N 3.29Å; Q209-G213 PolarHBondContact O-N 3.43Å
210D98.7Very high98.2Very high83 Ų8392.8 Ų92.844%0.44452%0.523SS..Hα-helixtrans-65.7-38.5179-71.5-17.9000111.4K206 F207 G213 A214K206-D210 IonicContact NZ-OD1 3.2Å; K206-D210 PolarHBondContact NZ-OD1 2.8Å; K206-D210 IonicContact NZ-OD2 2.95Å; K206-D210 PolarHBondContact NZ-OD2 3.47Å; K206-D210 PolarHBondContact O-N 3.04Å; F207-D210 PolarHBondContact O-N 3.37Å; D210-G213 PolarHBondContact O-N 3.39Å; D210-A214 PolarHBondContact O-N 3.34Å
211W98.7Very high98.2Very high96 Ų9693.1 Ų93.136%0.36452%0.523SS..Hα-helixtrans-64.9-46.3176.6-164.2-103.7000112.1F207 E208 Q209 G213 A214 F215 R217 S219F207-W211 WeakPolarHBondContact O-CB 3.45Å; F207-W211 PolarHBondContact O-N 2.99Å; E208-W211 PolarHBondContact O-N 2.94Å; Q209-W211 VanDerWaalsContact C-N 3.32Å; Q209-W211 PolarHBondContact O-N 3.39Å; W211-G213 VanDerWaalsContact C-N 3.3Å; W211-G213 PolarHBondContact O-N 2.9Å; W211-A214 PolarHBondContact O-N 2.9Å; W211-F215 AromaticContact CD2-CD2 3.55Å; W211-F215 HydrophobicContact CD2-CD2 3.55Å; W211-F215 AromaticContact CD2-CE2 3.82Å; W211-F215 HydrophobicContact CD2-CE2 3.82Å; W211-F215 AromaticContact CE2-CD2 3.65Å; W211-F215 AromaticContact CE3-CD2 3.78Å; W211-F215 HydrophobicContact CE3-CD2 3.78Å; W211-F215 AromaticContact CE3-CE2 3.52Å; W211-F215 HydrophobicContact CE3-CE2 3.52Å; W211-F215 HydrophobicContact CG-CD2 4.05Å; W211-F215 HydrophobicContact CH2-CD2 4.17Å; W211-F215 AromaticContact CH2-CE2 3.79Å; W211-F215 HydrophobicContact CH2-CE2 3.79Å; W211-F215 HydrophobicContact CH2-CZ 4.49Å; W211-F215 AromaticContact CZ2-CD2 3.97Å; W211-F215 HydrophobicContact CZ2-CD2 3.97Å; W211-F215 HydrophobicContact CZ2-CE2 4.08Å; W211-F215 HydrophobicContact CZ3-CD2 4.08Å; W211-F215 AromaticContact CZ3-CE2 3.5Å; W211-F215 HydrophobicContact CZ3-CE2 3.5Å; W211-F215 HydrophobicContact CZ3-CZ 4.38Å; W211-F215 WeakPolarHBondContact O-CD2 3.34Å; W211-F215 PolarHBondContact O-N 2.89Å; W211-R217 CarbonylContact C-O 3.49Å; W211-S219 PolarHBondContact NE1-O 3.41Å
212Q98.5Very high98.2Very high84 Ų8491.6 Ų91.639%0.39352%0.52SS..Hα-helixtrans-60.7-41.2174.1-17864.531.400111.5E208 Q209 A214 G216 R217 T218E208-Q212 WeakPolarHBondContact O-CB 3.3Å; E208-Q212 PolarHBondContact O-N 3.49Å; Q209-Q212 PolarHBondContact O-N 3.29Å; Q212-A214 VanDerWaalsContact C-N 3.34Å; Q212-A214 PolarHBondContact O-N 3.45Å; Q212-G216 PolarHBondContact NE2-O 3.5Å; Q212-G216 VanDerWaalsContact NE2-O 3.08Å; Q212-G216 VanDerWaalsContact O-CA 3.3Å; Q212-G216 WeakPolarHBondContact O-CA 3.32Å; Q212-G216 PolarHBondContact O-N 2.9Å; Q212-R217 WeakPolarHBondContact CA-O 3.42Å; Q212-R217 PolarHBondContact N-O 3.03Å; Q212-R217 VanDerWaalsContact OE1-N 3.14Å; Q212-R217 PolarHBondContact OE1-O 3.43Å; Q212-T218 HydrophobicContact CB-CG2 4.11Å
213G98.5Very high98.2Very high71 Ų7193.3 Ų93.373%0.73252%0.521SS*.Hα-helixtrans-63.2-37.8178.400000113.2Q209 D210 W211Q209-G213 PolarHBondContact O-N 3.43Å; D210-G213 PolarHBondContact O-N 3.39Å; W211-G213 VanDerWaalsContact C-N 3.3Å; W211-G213 PolarHBondContact O-N 2.9Å
214A98.4Very high98.1Very high71 Ų7196.2 Ų96.259%0.58753%0.531SS*.Hα-helixtrans-84.8-36.1-17900000114D210 W211 Q212D210-A214 PolarHBondContact O-N 3.34Å; W211-A214 PolarHBondContact O-N 2.9Å; Q212-A214 VanDerWaalsContact C-N 3.34Å; Q212-A214 PolarHBondContact O-N 3.45Å
215F98.2Very high98.1Very high117 Ų11797.8 Ų97.851%0.51354%0.537SS..Hα-helixtrans-123.2-1.6-167.8-54-66.4000115W211 R217W211-F215 AromaticContact CD2-CD2 3.55Å; W211-F215 HydrophobicContact CD2-CD2 3.55Å; W211-F215 AromaticContact CD2-CE2 3.82Å; W211-F215 HydrophobicContact CD2-CE2 3.82Å; W211-F215 AromaticContact CE2-CD2 3.65Å; W211-F215 AromaticContact CE3-CD2 3.78Å; W211-F215 HydrophobicContact CE3-CD2 3.78Å; W211-F215 AromaticContact CE3-CE2 3.52Å; W211-F215 HydrophobicContact CE3-CE2 3.52Å; W211-F215 HydrophobicContact CG-CD2 4.05Å; W211-F215 HydrophobicContact CH2-CD2 4.17Å; W211-F215 AromaticContact CH2-CE2 3.79Å; W211-F215 HydrophobicContact CH2-CE2 3.79Å; W211-F215 HydrophobicContact CH2-CZ 4.49Å; W211-F215 AromaticContact CZ2-CD2 3.97Å; W211-F215 HydrophobicContact CZ2-CD2 3.97Å; W211-F215 HydrophobicContact CZ2-CE2 4.08Å; W211-F215 HydrophobicContact CZ3-CD2 4.08Å; W211-F215 AromaticContact CZ3-CE2 3.5Å; W211-F215 HydrophobicContact CZ3-CE2 3.5Å; W211-F215 HydrophobicContact CZ3-CZ 4.38Å; W211-F215 WeakPolarHBondContact O-CD2 3.34Å; W211-F215 PolarHBondContact O-N 2.89Å; F215-R217 HydrophobicContact CB-CG 4.21Å; F215-R217 PolarHBondContact O-N 3.38Å
216G97.9Very high98.1Very high56 Ų56100.9 Ų100.958%0.57755%0.545SS*.SBendtrans68.612.6179.600000115Q212Q212-G216 PolarHBondContact NE2-O 3.5Å; Q212-G216 VanDerWaalsContact NE2-O 3.08Å; Q212-G216 VanDerWaalsContact O-CA 3.3Å; Q212-G216 WeakPolarHBondContact O-CA 3.32Å; Q212-G216 PolarHBondContact O-N 2.9Å
217R97.8Very high98.1Very high119 Ų119101.1 Ų101.145%0.44955%0.554SS.*SBendtrans-145.3158.9177.560.7-175.2178.9167.79.4110.1W211 Q212 F215 S219 I220W211-R217 CarbonylContact C-O 3.49Å; Q212-R217 WeakPolarHBondContact CA-O 3.42Å; Q212-R217 PolarHBondContact N-O 3.03Å; Q212-R217 VanDerWaalsContact OE1-N 3.14Å; Q212-R217 PolarHBondContact OE1-O 3.43Å; F215-R217 HydrophobicContact CB-CG 4.21Å; F215-R217 PolarHBondContact O-N 3.38Å; R217-S219 PolarHBondContact NE-O 3.08Å; R217-I220 VanDerWaalsContact CZ-OXT 3.23Å; R217-I220 PolarHBondContact NH2-OXT 3.23Å
218T97Very high98Very high89 Ų8997.5 Ų97.555%0.54655%0.546SS..SBendtrans-100.3-0.1173.752.90000113.4E208 Q212E208-T218 HydrophobicContact CB-CG2 4.36Å; Q212-T218 HydrophobicContact CB-CG2 4.11Å
219S97.2Very high98Very high70 Ų7097.3 Ų97.349%0.4955%0.552SS.*  trans-104156.6178.273.80000112.1W211 R217W211-S219 PolarHBondContact NE1-O 3.41Å; R217-S219 PolarHBondContact NE-O 3.08Å
220I96.2Very high97.9Very high180 Ų18094.2 Ų94.292%0.92355%0.547SS*.  trans-56.20168.9-61.2177.1000110.7R217R217-I220 VanDerWaalsContact CZ-OXT 3.23Å; R217-I220 PolarHBondContact NH2-OXT 3.23Å

Retrieved 220 of 220 residues in 76.8 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).