A0A060Y418_ONCMY Loading...

DIRAS family GTPase 2

Displays low GTPase activity and exists predominantly in the GTP-bound form.

AlphaFold DB (A0A674AKM0), UniProt , Accession A0A060Y418, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523155, Length 198 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
1M38.8Very low72.1Confident233 Ų23388.6 Ų88.6100%1.14846%0.455SS*.  0130.50-61.2-176175.600106.3E3M1-E3 PolarHBondContact O-N 3.23Å
2P41.7Very low74.3Confident130 Ų13081.4 Ų81.484%0.84442%0.418SS*.  trans-64.7125.4176.13.59.4000107.3Q4P2-Q4 PolarHBondContact O-N 2.89Å; P2-Q4 VanDerWaalsContact O-N 3.16Å
3E44.6Very low76.1Confident191 Ų19175.4 Ų75.489%0.89339%0.387SS*.  trans-49.2123.4173-84.2-179145.100108.9M1 S5M1-E3 PolarHBondContact O-N 3.23Å; E3-S5 VanDerWaalsContact C-N 3.33Å; E3-S5 PolarHBondContact O-N 3.16Å
4Q50.1Low77.6Confident193 Ų19370.3 Ų70.390%0.90236%0.362SS*.  trans-67.698.9173.5-139.2156.326.700106.2P2 N6P2-Q4 PolarHBondContact O-N 2.89Å; P2-Q4 VanDerWaalsContact O-N 3.16Å; Q4-N6 PolarHBondContact O-N 3.17Å; Q4-N6 VanDerWaalsContact O-N 3.17Å
5S62.9Low78.8Confident63 Ų6366.2 Ų66.244%0.44134%0.343SS..  trans-52.9125-17866.80000108.8E3 D7E3-S5 VanDerWaalsContact C-N 3.33Å; E3-S5 PolarHBondContact O-N 3.16Å; S5-D7 PolarHBondContact O-N 2.95Å
6N78.9Confident79.8Confident71 Ų7164.4 Ų64.438%0.3835%0.345SS..  trans-73.823.7179.5-155.817.2000112.7Q4 C55 R172Q4-N6 PolarHBondContact O-N 3.17Å; Q4-N6 VanDerWaalsContact O-N 3.17Å; N6-C55 HydrophobicContact CB-CB 4.17Å; N6-C55 WeakPolarHBondContact O-CB 3.28Å; N6-R172 PolarHBondContact OD1-NH1 2.91Å
7D89.6Confident80.7Confident18 Ų1862.4 Ų62.410%0.09634%0.343CS..  trans-66.9132.1-170.4-69.1-2.2000111.2S5 R45 T56 Q58 H80S5-D7 PolarHBondContact O-N 2.95Å; D7-R45 IonicContact OD2-NH1 3.66Å; D7-T56 CarbonylContact C-O 3.59Å; D7-T56 VanDerWaalsContact CA-O 3.28Å; D7-T56 WeakPolarHBondContact CA-O 3.46Å; D7-T56 VanDerWaalsContact OD1-CB 3.28Å; D7-T56 WeakPolarHBondContact OD1-CB 3.19Å; D7-T56 PolarHBondContact OD1-OG1 2.85Å; D7-Q58 HydrophobicContact CB-CG 4.28Å; D7-Q58 PolarHBondContact OD2-NE2 3.34Å; D7-H80 PolarHBondContact O-CE1 3.39Å; D7-H80 PolarHBondContact O-ND1 2.94Å
8Y94.3Very high81.6Confident1 Ų159.1 Ų59.10%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-92.7128.8170.5-161.3-97.5000108.9V10 T56 L57 Q58 H80 A81 L166 E169 V174Y8-V10 HydrophobicContact CD1-CG2 4.2Å; Y8-V10 HydrophobicContact CE1-CG2 4.18Å; Y8-T56 PolarHBondContact N-O 2.92Å; Y8-L57 HydrophobicContact CD1-CD1 3.88Å; Y8-L57 CarbonylContact O-C 3.56Å; Y8-L57 WeakPolarHBondContact O-CA 3.17Å; Y8-Q58 PolarHBondContact O-N 2.83Å; Y8-H80 HydrophobicContact CD2-CB 4.19Å; Y8-H80 HydrophobicContact CE1-CB 4.37Å; Y8-H80 HydrophobicContact CE2-CB 3.8Å; Y8-A81 HydrophobicContact CE1-CB 3.97Å; Y8-L166 HydrophobicContact CD1-CD2 3.55Å; Y8-L166 HydrophobicContact CE1-CD2 3.48Å; Y8-L166 VanDerWaalsContact CE1-CD2 3.48Å; Y8-L166 HydrophobicContact CG-CD2 4.48Å; Y8-E169 HydrophobicContact CE2-CB 4.38Å; Y8-E169 HydrophobicContact CE2-CG 3.79Å; Y8-E169 WeakPolarHBondContact CE2-OE2 3.47Å; Y8-E169 WeakPolarHBondContact OH-CB 3.37Å; Y8-E169 PolarHBondContact OH-OE2 2.81Å; Y8-V174 HydrophobicContact CD2-CG2 4.04Å; Y8-V174 HydrophobicContact CE2-CG2 4.2Å; Y8-V174 HydrophobicContact CG-CG1 4.38Å
9R96.1Very high82.4Confident70 Ų7056.6 Ų56.626%0.26431%0.314SS..EExtended strand (participates in β ladder)trans-119.6115.4-165.9-62.3-179.2-177.7164.13.1109.5Q58 K78 H80 A81R9-Q58 CarbonylContact C-O 3.48Å; R9-Q58 WeakPolarHBondContact CA-O 3.4Å; R9-Q58 HydrophobicContact CG-CB 4.23Å; R9-K78 WeakPolarHBondContact CD-O 3.39Å; R9-H80 WeakPolarHBondContact CB-ND1 3.31Å; R9-H80 PolarHBondContact N-ND1 3.31Å; R9-H80 WeakPolarHBondContact O-CA 3.21Å; R9-H80 WeakPolarHBondContact O-CB 3.41Å; R9-H80 PolarHBondContact O-N 3.23Å; R9-A81 PolarHBondContact O-N 3.21Å; R9-A81 VanDerWaalsContact O-N 3.12Å
10V97.9Very high83.1Confident1 Ų154.3 Ų54.31%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-106.9131.7175.3176.90000108.2Y8 L57 Q58 I59 T60 A81 I83 L165Y8-V10 HydrophobicContact CD1-CG2 4.2Å; Y8-V10 HydrophobicContact CE1-CG2 4.18Å; V10-L57 HydrophobicContact CG2-CD1 3.72Å; V10-Q58 PolarHBondContact N-O 3.35Å; V10-I59 HydrophobicContact CB-CG1 4.49Å; V10-I59 CarbonylContact O-C 3.54Å; V10-I59 WeakPolarHBondContact O-CA 3.21Å; V10-T60 PolarHBondContact O-N 2.71Å; V10-A81 WeakPolarHBondContact CA-O 3.28Å; V10-A81 HydrophobicContact CG2-CB 4.24Å; V10-I83 HydrophobicContact CG1-CD1 3.81Å; V10-I83 HydrophobicContact CG1-CG1 3.88Å; V10-L165 HydrophobicContact CB-CD2 4.47Å; V10-L165 HydrophobicContact CG1-CD2 3.67Å; V10-L165 HydrophobicContact CG2-CD2 3.91Å
11V98.1Very high83.8Confident4 Ų452.9 Ų52.92%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-114.4131.2174.7-172.10000109.2F13 T62 A81 F82 I83V11-F13 HydrophobicContact CB-CE2 4.08Å; V11-F13 HydrophobicContact CB-CZ 4.41Å; V11-F13 HydrophobicContact CG1-CD1 4.47Å; V11-F13 HydrophobicContact CG1-CD2 4.1Å; V11-F13 HydrophobicContact CG1-CE1 3.95Å; V11-F13 HydrophobicContact CG1-CE2 3.54Å; V11-F13 HydrophobicContact CG1-CZ 3.45Å; V11-F13 VanDerWaalsContact CG1-CZ 3.45Å; V11-T62 HydrophobicContact CG1-CG2 3.69Å; V11-A81 PolarHBondContact N-O 2.84Å; V11-F82 HydrophobicContact CB-CD1 3.98Å; V11-F82 HydrophobicContact CB-CE1 4.09Å; V11-F82 HydrophobicContact CG2-CE1 4.18Å; V11-F82 WeakPolarHBondContact O-CA 3.28Å; V11-I83 PolarHBondContact O-N 2.97Å
12V98.3Very high86.6Confident2 Ų243.2 Ų43.21%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-106113.8-178.2-170.70000109.3K20 V24 I59 T60 T62 I83 V85V12-K20 HydrophobicContact CG1-CB 3.88Å; V12-K20 HydrophobicContact CG1-CD 4.22Å; V12-K20 HydrophobicContact CG1-CG 3.98Å; V12-V24 HydrophobicContact CG2-CG2 3.87Å; V12-I59 HydrophobicContact CG2-CG2 3.83Å; V12-T60 PolarHBondContact N-O 2.98Å; V12-T62 WeakPolarHBondContact O-CG2 3.41Å; V12-T62 PolarHBondContact O-OG1 3.37Å; V12-I83 WeakPolarHBondContact CA-O 3.14Å; V12-I83 HydrophobicContact CG1-CB 4.28Å; V12-I83 HydrophobicContact CG1-CG2 4.33Å; V12-I83 HydrophobicContact CG2-CB 4.31Å; V12-I83 HydrophobicContact CG2-CD1 4.28Å; V12-V85 HydrophobicContact CG1-CG2 3.66Å
13F97.8Very high89.3Confident3 Ų337.1 Ų37.11%0.01321%0.211CC..EExtended strand (participates in β ladder)trans-110.8163.7178.2-68.7-65.1000111.9V11 T62 Q72 I76 F82 I83 L84 V85 I100V11-F13 HydrophobicContact CB-CE2 4.08Å; V11-F13 HydrophobicContact CB-CZ 4.41Å; V11-F13 HydrophobicContact CG1-CD1 4.47Å; V11-F13 HydrophobicContact CG1-CD2 4.1Å; V11-F13 HydrophobicContact CG1-CE1 3.95Å; V11-F13 HydrophobicContact CG1-CE2 3.54Å; V11-F13 HydrophobicContact CG1-CZ 3.45Å; V11-F13 VanDerWaalsContact CG1-CZ 3.45Å; F13-T62 HydrophobicContact CD1-CG2 3.93Å; F13-T62 HydrophobicContact CE1-CG2 3.77Å; F13-Q72 HydrophobicContact CE1-CG 3.81Å; F13-Q72 HydrophobicContact CZ-CG 4.06Å; F13-I76 HydrophobicContact CE2-CG1 3.8Å; F13-I76 HydrophobicContact CZ-CD1 4.48Å; F13-I76 HydrophobicContact CZ-CG1 3.81Å; F13-F82 HydrophobicContact CD2-CD1 4.23Å; F13-F82 AromaticContact CE2-CD1 3.8Å; F13-F82 HydrophobicContact CE2-CD1 3.8Å; F13-F82 HydrophobicContact CE2-CE1 4.13Å; F13-I83 PolarHBondContact N-O 2.85Å; F13-L84 HydrophobicContact CB-CD2 3.93Å; F13-L84 HydrophobicContact CD2-CD2 4.18Å; F13-V85 PolarHBondContact O-N 2.84Å; F13-I100 HydrophobicContact CB-CD1 4.22Å; F13-I100 HydrophobicContact CB-CG2 3.9Å; F13-I100 HydrophobicContact CD1-CG2 4.38Å; F13-I100 HydrophobicContact CD2-CG2 3.86Å; F13-I100 HydrophobicContact CE2-CG2 4.47Å; F13-I100 HydrophobicContact CG-CG2 3.81Å
14G97.3Very high91.8Very high4 Ų428 Ų284%0.04117%0.168CC..  trans144.5162.5-179.400000112.2K20 G64 V85G14-K20 PolarHBondContact O-NZ 3.45Å; G14-G64 VanDerWaalsContact O-CA 3.3Å; G14-G64 WeakPolarHBondContact O-CA 3.48Å; G14-V85 VanDerWaalsContact CA-O 3.26Å; G14-V85 WeakPolarHBondContact CA-O 3.43Å
15A96.1Very high94Very high9 Ų920.2 Ų20.27%0.07413%0.133CC..  trans-60.5170.8-177.100000113.3V18 K20 S65 E96A15-V18 HydrophobicContact CB-CG1 3.85Å; A15-V18 VanDerWaalsContact O-CG2 3.31Å; A15-V18 WeakPolarHBondContact O-CG2 3.49Å; A15-K20 PolarHBondContact O-NZ 3.48Å; A15-S65 WeakPolarHBondContact CA-OG 3.39Å; A15-E96 VanDerWaalsContact CB-OE2 3.27Å; A15-E96 WeakPolarHBondContact CB-OE2 3.22Å
16G94.4Very high95.6Very high37 Ų3719.4 Ų19.438%0.38112%0.12SC..THydrogen-bonded Turntrans-57.7143.4169.600000111.5V18G16-V18 PolarHBondContact O-N 2.63Å
17G94.4Very high96.5Very high30 Ų3017.2 Ų17.231%0.30911%0.107SC..THydrogen-bonded Turntrans71.3-2.617200000117.7G19 K122G17-G19 PolarHBondContact O-N 3.35Å; G17-K122 VanDerWaalsContact O-CE 3.27Å; G17-K122 WeakPolarHBondContact O-CE 3.38Å; G17-K122 PolarHBondContact O-NZ 3.03Å
18V97.1Very high96.7Very high3 Ų318.2 Ų18.22%0.01811%0.113CC..SBendtrans-69.7-14.8178.4-56.20000113.7A15 G16 K20 V85 N121A15-V18 HydrophobicContact CB-CG1 3.85Å; A15-V18 VanDerWaalsContact O-CG2 3.31Å; A15-V18 WeakPolarHBondContact O-CG2 3.49Å; G16-V18 PolarHBondContact O-N 2.63Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; V18-V85 HydrophobicContact CB-CG1 4.29Å; V18-V85 HydrophobicContact CG2-CB 4.01Å; V18-V85 HydrophobicContact CG2-CG1 3.83Å; V18-N121 PolarHBondContact O-ND2 3.29Å
19G97.1Very high96.6Very high12 Ų1224.3 Ų24.312%0.12414%0.14CC..SBendtrans99.324.8175.200000116.1G17 S22 L23G17-G19 PolarHBondContact O-N 3.35Å; G19-S22 PolarHBondContact O-N 3.42Å; G19-L23 PolarHBondContact O-N 3.43Å
20K97.6Very high96.5Very high11 Ų1123.2 Ų23.25%0.04815%0.151CC..Hα-helixtrans-50.2-58.5172.9-57.8-172.9-62.2-72.60112.1V12 G14 A15 V18 S22 L23 V24 D61 T62 G64 V85V12-K20 HydrophobicContact CG1-CB 3.88Å; V12-K20 HydrophobicContact CG1-CD 4.22Å; V12-K20 HydrophobicContact CG1-CG 3.98Å; G14-K20 PolarHBondContact O-NZ 3.45Å; A15-K20 PolarHBondContact O-NZ 3.48Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.43Å; K20-L23 PolarHBondContact O-N 3.19Å; K20-L23 VanDerWaalsContact O-N 3.15Å; K20-V24 WeakPolarHBondContact O-CG2 3.41Å; K20-V24 PolarHBondContact O-N 3.4Å; K20-D61 VanDerWaalsContact CB-OD1 3.31Å; K20-D61 WeakPolarHBondContact CB-OD1 3.42Å; K20-T62 WeakPolarHBondContact CE-O 3.48Å; K20-G64 VanDerWaalsContact NZ-CA 3.29Å; K20-V85 HydrophobicContact CG-CB 4.19Å; K20-V85 HydrophobicContact CG-CG2 4.3Å
21S96.6Very high96.3Very high24 Ų2426.1 Ų26.117%0.16817%0.168CC..Hα-helixtrans-59.9-37.8178.5-46.50000112.5V24 L25 T39 D61S21-V24 PolarHBondContact O-N 3.4Å; S21-L25 VanDerWaalsContact O-CB 3.23Å; S21-L25 WeakPolarHBondContact O-CB 3.23Å; S21-L25 VanDerWaalsContact O-CG 3.24Å; S21-L25 WeakPolarHBondContact O-CG 3.37Å; S21-L25 PolarHBondContact O-N 3.34Å; S21-T39 PolarHBondContact OG-OG1 2.91Å; S21-D61 WeakPolarHBondContact CA-OD2 3.46Å; S21-D61 WeakPolarHBondContact CB-OD2 3.38Å; S21-D61 PolarHBondContact N-OD1 3.37Å; S21-D61 VanDerWaalsContact OG-CG 3.32Å; S21-D61 PolarHBondContact OG-OD1 2.81Å; S21-D61 PolarHBondContact OG-OD2 2.91Å
22S97.4Very high96.1Very high31 Ų3128.7 Ų28.722%0.21718%0.179CC..Hα-helixtrans-65.1-41.2177.4-54.30000112G19 K20 R26G19-S22 PolarHBondContact O-N 3.42Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.43Å; S22-R26 WeakPolarHBondContact O-CB 3.3Å; S22-R26 PolarHBondContact O-N 3.42Å
23L98.3Very high95.7Very high2 Ų236.1 Ų36.11%0.0121%0.207CC..Hα-helixtrans-63.9-47.8174.3-75.3170000111.3G19 K20 R26 F27 V85 V119 N121 A152 V158 L161G19-L23 PolarHBondContact O-N 3.43Å; K20-L23 PolarHBondContact O-N 3.19Å; K20-L23 VanDerWaalsContact O-N 3.15Å; L23-R26 PolarHBondContact O-N 3.08Å; L23-F27 VanDerWaalsContact O-CB 3.31Å; L23-F27 WeakPolarHBondContact O-CB 3.39Å; L23-F27 PolarHBondContact O-N 3.24Å; L23-V85 HydrophobicContact CD1-CG1 3.92Å; L23-V85 HydrophobicContact CD1-CG2 4.04Å; L23-V119 HydrophobicContact CD1-CG1 4.14Å; L23-N121 HydrophobicContact CD1-CB 4.21Å; L23-A152 HydrophobicContact CD2-CB 3.97Å; L23-A152 HydrophobicContact CG-CB 4.17Å; L23-V158 HydrophobicContact CD2-CG2 4.03Å; L23-L161 HydrophobicContact CD1-CD2 4.34Å; L23-L161 HydrophobicContact CD2-CD2 4.47Å
24V97.3Very high95Very high0 Ų042.3 Ų42.30%024%0.24CC..Hα-helixtrans-64.2-46.7-179.1178.80000111.2V12 K20 S21 F27 V28 Y44 I59 D61V12-V24 HydrophobicContact CG2-CG2 3.87Å; K20-V24 WeakPolarHBondContact O-CG2 3.41Å; K20-V24 PolarHBondContact O-N 3.4Å; S21-V24 PolarHBondContact O-N 3.4Å; V24-F27 PolarHBondContact O-N 3.14Å; V24-V28 HydrophobicContact CG1-CG2 4.3Å; V24-V28 WeakPolarHBondContact O-CB 3.42Å; V24-V28 VanDerWaalsContact O-CG2 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.42Å; V24-Y44 HydrophobicContact CG1-CD1 4.47Å; V24-Y44 HydrophobicContact CG1-CD2 3.3Å; V24-Y44 HydrophobicContact CG1-CE2 3.75Å; V24-Y44 HydrophobicContact CG1-CG 3.72Å; V24-I59 HydrophobicContact CG1-CB 4.39Å; V24-I59 HydrophobicContact CG1-CG2 3.93Å; V24-I59 HydrophobicContact CG2-CG2 3.8Å; V24-D61 HydrophobicContact CG2-CB 4.33Å
25L95.9Very high94.5Very high29 Ų2945.9 Ų45.915%0.15226%0.264CS..Hα-helixtrans-66.3-38.7177.6-73171.8000112.3S21 F27 K29 G30 T31 Y44S21-L25 VanDerWaalsContact O-CB 3.23Å; S21-L25 WeakPolarHBondContact O-CB 3.23Å; S21-L25 VanDerWaalsContact O-CG 3.24Å; S21-L25 WeakPolarHBondContact O-CG 3.37Å; S21-L25 PolarHBondContact O-N 3.34Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-K29 HydrophobicContact CD2-CD 3.96Å; L25-K29 WeakPolarHBondContact O-CA 3.44Å; L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 PolarHBondContact O-N 3.27Å; L25-G30 PolarHBondContact O-N 3.47Å; L25-T31 CarbonylContact C-O 3.4Å; L25-Y44 HydrophobicContact CD2-CE1 3.61Å; L25-Y44 WeakPolarHBondContact CD2-OH 3.25Å
26R97.3Very high93.8Very high46 Ų4652.2 Ų52.217%0.17429%0.287CS..Hα-helixtrans-63.5-43.2176.3178.662.478.5-177.917.6110.6S22 L23 G30 T31 A152 K153 N155 V158S22-R26 WeakPolarHBondContact O-CB 3.3Å; S22-R26 PolarHBondContact O-N 3.42Å; L23-R26 PolarHBondContact O-N 3.08Å; R26-G30 PolarHBondContact NH1-O 2.95Å; R26-G30 WeakPolarHBondContact O-CA 3.14Å; R26-G30 PolarHBondContact O-N 2.76Å; R26-T31 WeakPolarHBondContact CA-O 3.42Å; R26-T31 PolarHBondContact N-O 3.05Å; R26-A152 PolarHBondContact NE-O 3.31Å; R26-A152 PolarHBondContact NH2-O 3.29Å; R26-K153 PolarHBondContact NH2-O 3.31Å; R26-N155 WeakPolarHBondContact CD-OD1 3.43Å; R26-N155 HydrophobicContact CG-CB 4.34Å; R26-N155 WeakPolarHBondContact CG-OD1 3.36Å; R26-V158 HydrophobicContact CB-CG1 4.1Å; R26-V158 HydrophobicContact CG-CB 4.22Å; R26-V158 HydrophobicContact CG-CG1 3.85Å; R26-V158 HydrophobicContact CG-CG2 4Å
27F96.8Very high93.2Very high25 Ų2555.8 Ų55.811%0.1130%0.297CS..Hα-helixtrans-65.3-50177.3175.7-110.5000113L23 V24 L25 L57 I59 V158 F162 L176L23-F27 VanDerWaalsContact O-CB 3.31Å; L23-F27 WeakPolarHBondContact O-CB 3.39Å; L23-F27 PolarHBondContact O-N 3.24Å; V24-F27 PolarHBondContact O-N 3.14Å; L25-F27 VanDerWaalsContact C-N 3.32Å; F27-L57 HydrophobicContact CE1-CD2 4.13Å; F27-L57 HydrophobicContact CZ-CD2 4.46Å; F27-I59 HydrophobicContact CD1-CD1 3.63Å; F27-I59 HydrophobicContact CE1-CD1 3.63Å; F27-V158 HydrophobicContact CB-CG1 3.86Å; F27-F162 HydrophobicContact CB-CD2 3.76Å; F27-F162 HydrophobicContact CB-CE2 3.4Å; F27-F162 VanDerWaalsContact CB-CE2 3.4Å; F27-F162 HydrophobicContact CB-CZ 4.11Å; F27-F162 HydrophobicContact CD1-CD1 4.07Å; F27-F162 AromaticContact CD1-CD2 3.72Å; F27-F162 HydrophobicContact CD1-CD2 3.72Å; F27-F162 HydrophobicContact CD1-CE1 4.13Å; F27-F162 AromaticContact CD1-CE2 3.81Å; F27-F162 HydrophobicContact CD1-CE2 3.81Å; F27-F162 AromaticContact CD1-CG 3.88Å; F27-F162 HydrophobicContact CD1-CG 3.88Å; F27-F162 HydrophobicContact CD1-CZ 4.01Å; F27-F162 HydrophobicContact CD2-CB 4.1Å; F27-F162 AromaticContact CD2-CD2 3.34Å; F27-F162 HydrophobicContact CD2-CD2 3.34Å; F27-F162 AromaticContact CD2-CE2 3.96Å; F27-F162 HydrophobicContact CD2-CE2 3.96Å; F27-F162 AromaticContact CD2-CG 3.86Å; F27-F162 HydrophobicContact CD2-CG 3.86Å; F27-F162 HydrophobicContact CE1-CB 4.24Å; F27-F162 HydrophobicContact CE1-CD1 4.05Å; F27-F162 HydrophobicContact CE1-CD2 4.17Å; F27-F162 HydrophobicContact CE1-CE1 4.49Å; F27-F162 AromaticContact CE1-CG 3.88Å; F27-F162 HydrophobicContact CE1-CG 3.88Å; F27-F162 HydrophobicContact CE2-CB 3.65Å; F27-F162 AromaticContact CE2-CD2 3.82Å; F27-F162 HydrophobicContact CE2-CD2 3.82Å; F27-F162 AromaticContact CE2-CG 3.85Å; F27-F162 HydrophobicContact CE2-CG 3.85Å; F27-F162 HydrophobicContact CG-CD1 4.47Å; F27-F162 AromaticContact CG-CD2 3.29Å; F27-F162 HydrophobicContact CG-CD2 3.29Å; F27-F162 AromaticContact CG-CE2 3.43Å; F27-F162 HydrophobicContact CG-CE2 3.43Å; F27-F162 VanDerWaalsContact CG-CE2 3.43Å; F27-F162 AromaticContact CG-CG 3.87Å; F27-F162 HydrophobicContact CG-CG 3.87Å; F27-F162 HydrophobicContact CG-CZ 4.09Å; F27-F162 HydrophobicContact CZ-CB 3.73Å; F27-F162 HydrophobicContact CZ-CD1 4.41Å; F27-F162 HydrophobicContact CZ-CD2 4.21Å; F27-F162 AromaticContact CZ-CG 3.87Å; F27-F162 HydrophobicContact CZ-CG 3.87Å; F27-L176 HydrophobicContact CE2-CD1 3.74Å; F27-L176 HydrophobicContact CE2-CD2 4.35Å; F27-L176 HydrophobicContact CZ-CD1 3.93Å; F27-L176 HydrophobicContact CZ-CD2 3.66Å; F27-L176 HydrophobicContact CZ-CG 4.45Å
28V94.4Very high92.7Very high38 Ų3858.8 Ų58.823%0.2331%0.311CS..Hα-helixtrans-79.6-41.1-172.1176.50000112.3V24 Y44 I59V24-V28 HydrophobicContact CG1-CG2 4.3Å; V24-V28 WeakPolarHBondContact O-CB 3.42Å; V24-V28 VanDerWaalsContact O-CG2 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.42Å; V28-Y44 HydrophobicContact CG1-CD1 4.33Å; V28-Y44 HydrophobicContact CG2-CG 4.48Å; V28-I59 HydrophobicContact CG2-CD1 4.09Å
29K93.3Very high92.2Very high130 Ų13059.7 Ų59.757%0.56532%0.317SS*.Hα-helixtrans-112.8-9.2-171.4-60.6-173.8-178.61750113.6L25 T31L25-K29 HydrophobicContact CD2-CD 3.96Å; L25-K29 WeakPolarHBondContact O-CA 3.44Å; L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 PolarHBondContact O-N 3.27Å; K29-T31 HydrophobicContact CB-CG2 4.22Å; K29-T31 PolarHBondContact O-N 3.26Å
30G93.9Very high91.6Very high47 Ų4765.1 Ų65.149%0.48535%0.347SS..SBendtrans69.111.6-173.500000113.4L25 R26L25-G30 PolarHBondContact O-N 3.47Å; R26-G30 PolarHBondContact NH1-O 2.95Å; R26-G30 WeakPolarHBondContact O-CA 3.14Å; R26-G30 PolarHBondContact O-N 2.76Å
31T93.4Very high91.1Very high62 Ų6268.1 Ų68.138%0.3836%0.361SS..  trans-107.8150.6-174.658.80000112.2L25 R26 K29L25-T31 CarbonylContact C-O 3.4Å; R26-T31 WeakPolarHBondContact CA-O 3.42Å; R26-T31 PolarHBondContact N-O 3.05Å; K29-T31 HydrophobicContact CB-CG2 4.22Å; K29-T31 PolarHBondContact O-N 3.26Å
32F94.1Very high90.9Very high57 Ų5771 Ų7125%0.2537%0.374CS..  trans-134.2150.5171.3173.8-95.4000109.8D34 A152 K153F32-D34 WeakPolarHBondContact CE1-OD1 3.37Å; F32-A152 HydrophobicContact CD2-CB 4.18Å; F32-A152 HydrophobicContact CE2-CB 4.28Å; F32-K153 HydrophobicContact CD1-CG 4.38Å; F32-K153 HydrophobicContact CD2-CB 4.45Å; F32-K153 HydrophobicContact CE1-CB 4.07Å; F32-K153 HydrophobicContact CE1-CD 4.46Å; F32-K153 HydrophobicContact CE1-CG 3.77Å; F32-K153 HydrophobicContact CE2-CB 3.9Å; F32-K153 HydrophobicContact CE2-CG 4.5Å; F32-K153 HydrophobicContact CZ-CB 3.69Å; F32-K153 HydrophobicContact CZ-CD 4.4Å; F32-K153 HydrophobicContact CZ-CG 3.84Å
33R88.6Confident90.8Very high159 Ų15972.4 Ų72.460%0.638%0.382SS*.  trans-132.1129.9177.2-64.1-179.5178.6177.6-2.5108.1S35R33-S35 VanDerWaalsContact C-N 3.33Å
34D84.5Confident90.6Very high132 Ų13274 Ų7471%0.70639%0.388SS*.SBendtrans-73.2-27.4175.4-71.1-74.7000112.4F32F32-D34 WeakPolarHBondContact CE1-OD1 3.37Å
35S85.9Confident90.5Very high79 Ų7981 Ų8155%0.55242%0.415SS*.SBendtrans-74.1128.7179.1610000111.8R33R33-S35 VanDerWaalsContact C-N 3.33Å
36Y81.5Confident90.2Very high142 Ų14282.5 Ų82.556%0.55742%0.421SS*.  trans-82.4120.5172.5-178.3-121.3000111.3P38Y36-P38 HydrophobicContact CD1-CG 4.49Å; Y36-P38 HydrophobicContact CE1-CG 3.94Å
37I82.6Confident89.9Confident112 Ų11284.1 Ų84.157%0.57444%0.436SS*.  trans-115.2120168.2-61.3170.7000106.2T39I37-T39 PolarHBondContact O-N 2.76Å
38P83.6Confident89.6Confident94 Ų9482.9 Ų82.961%0.6143%0.43SS*.  trans-57.2130.7176.7-26.234.6000112.3Y36Y36-P38 HydrophobicContact CD1-CG 4.49Å; Y36-P38 HydrophobicContact CE1-CG 3.94Å
39T85.9Confident89.3Confident22 Ų2281.4 Ų81.414%0.13542%0.422CS..  trans-87.6141.1179.9-49.30000110.6S21 I37 T63S21-T39 PolarHBondContact OG-OG1 2.91Å; I37-T39 PolarHBondContact O-N 2.76Å; T39-T63 WeakPolarHBondContact O-CB 3.41Å; T39-T63 PolarHBondContact O-OG1 2.94Å
40V84.9Confident88.9Confident126 Ų12675.2 Ų75.276%0.76440%0.395SS*.  trans-86.9-74.1168.8-179.10000109T63V40-T63 WeakPolarHBondContact O-CB 3.23Å; V40-T63 PolarHBondContact O-N 3.23Å
41E87.6Confident88.4Confident73 Ų7376.5 Ų76.534%0.34139%0.391SS..EExtended strand (participates in β ladder)trans-167.5129.1167.7-174.1174.910700106T60 D61 Q67E41-T60 HydrophobicContact CG-CG2 3.89Å; E41-D61 WeakPolarHBondContact CA-O 3.43Å; E41-Q67 PolarHBondContact OE2-NE2 2.77Å
42D91.5Very high87.6Confident84 Ų8482.9 Ų82.945%0.44941%0.413SS..EExtended strand (participates in β ladder)trans-129.3139.7177.4-82.9-47.5000110Y44 T60 D61D42-Y44 HydrophobicContact CB-CD2 4.38Å; D42-Y44 HydrophobicContact CB-CE2 3.6Å; D42-T60 WeakPolarHBondContact O-CA 2.86Å; D42-D61 PolarHBondContact N-O 3.01Å; D42-D61 PolarHBondContact O-N 2.52Å
43T94.8Very high87.2Confident62 Ų6283.6 Ų83.638%0.3843%0.425SS..EExtended strand (participates in β ladder)trans-113.5119173.6-62.20000110.4Q58 I59 T60T43-Q58 HydrophobicContact CG2-CB 4.11Å; T43-Q58 HydrophobicContact CG2-CG 4.49Å; T43-I59 WeakPolarHBondContact CA-O 3.31Å; T43-T60 PolarHBondContact OG1-OG1 2.82Å
44Y94.9Very high87.1Confident34 Ų3481.1 Ų81.113%0.13342%0.422CS..EExtended strand (participates in β ladder)trans-97.6148.4176.4-61.1-95.8000110.2V24 L25 V28 D42 Q58 I59 D61V24-Y44 HydrophobicContact CG1-CD1 4.47Å; V24-Y44 HydrophobicContact CG1-CD2 3.3Å; V24-Y44 HydrophobicContact CG1-CE2 3.75Å; V24-Y44 HydrophobicContact CG1-CG 3.72Å; L25-Y44 HydrophobicContact CD2-CE1 3.61Å; L25-Y44 WeakPolarHBondContact CD2-OH 3.25Å; V28-Y44 HydrophobicContact CG1-CD1 4.33Å; V28-Y44 HydrophobicContact CG2-CG 4.48Å; D42-Y44 HydrophobicContact CB-CD2 4.38Å; D42-Y44 HydrophobicContact CB-CE2 3.6Å; Y44-Q58 CarbonylContact O-C 3.59Å; Y44-Q58 WeakPolarHBondContact O-CA 3.42Å; Y44-I59 PolarHBondContact N-O 2.85Å; Y44-I59 PolarHBondContact O-N 2.85Å; Y44-D61 HydrophobicContact CE2-CB 4.12Å
45R94.3Very high87.4Confident148 Ų14875.1 Ų75.156%0.55839%0.391SS*.EExtended strand (participates in β ladder)trans-124.8132.5-177.6-66.2175.7-176-88.2-9.2110.2D7 T56 L57 Q58D7-R45 IonicContact OD2-NH1 3.66Å; R45-T56 HydrophobicContact CB-CG2 3.81Å; R45-T56 HydrophobicContact CG-CG2 3.96Å; R45-L57 CarbonylContact C-O 3.58Å; R45-L57 VanDerWaalsContact CA-O 3.3Å; R45-L57 WeakPolarHBondContact CA-O 3.49Å; R45-Q58 HydrophobicContact CG-CG 4.48Å
46Q90.9Very high87.7Confident60 Ų6073.2 Ų73.228%0.2838%0.376SS..EExtended strand (participates in β ladder)trans-134.4143.8171-166.3172.152.900109.8T56 L57Q46-T56 CarbonylContact O-C 3.46Å; Q46-L57 HydrophobicContact CB-CB 4.37Å; Q46-L57 PolarHBondContact N-O 3.42Å; Q46-L57 WeakPolarHBondContact O-CB 3.24Å; Q46-L57 PolarHBondContact O-N 2.79Å
47V91.1Very high88.4Confident80 Ų8066.5 Ų66.549%0.48535%0.35SS..EExtended strand (participates in β ladder)trans-81.3127.4176.2-177.10000108.9I54 I178V47-I54 HydrophobicContact CG1-CG2 3.22Å; V47-I178 HydrophobicContact CB-CD1 4.38Å; V47-I178 HydrophobicContact CG1-CD1 3.75Å
48I90.3Very high89Confident0 Ų062.3 Ų62.30%033%0.328CS..EExtended strand (participates in β ladder)trans-131.2166-178.463.4168000111.1I54 C55 L57 V174 S175 L176I48-I54 WeakPolarHBondContact O-CA 3.45Å; I48-C55 WeakPolarHBondContact CG1-SG 3.38Å; I48-C55 PolarHBondContact N-O 3.3Å; I48-C55 PolarHBondContact O-N 3.31Å; I48-L57 HydrophobicContact CD1-CB 3.82Å; I48-L57 HydrophobicContact CD1-CD1 4.25Å; I48-L57 HydrophobicContact CG1-CB 4.12Å; I48-L57 HydrophobicContact CG2-CB 3.71Å; I48-L57 HydrophobicContact CG2-CD2 4.14Å; I48-V174 HydrophobicContact CD1-CG1 3.2Å; I48-V174 HydrophobicContact CG1-CG1 4.32Å; I48-S175 WeakPolarHBondContact CB-O 3.19Å; I48-L176 HydrophobicContact CG2-CD2 4.02Å
49S87.4Confident89.7Confident7 Ų757.9 Ų57.95%0.04930%0.299CS..EExtended strand (participates in β ladder)trans-84.8137.1169.5-171.70000110.1S53 V174 S175 Q177S49-S53 CarbonylContact C-O 3.57Å; S49-S53 WeakPolarHBondContact CA-O 3.48Å; S49-V174 CarbonylContact O-C 3.58Å; S49-V174 WeakPolarHBondContact O-CA 3.4Å; S49-S175 WeakPolarHBondContact CB-OG 3.33Å; S49-S175 PolarHBondContact N-O 3.42Å; S49-S175 PolarHBondContact O-N 2.88Å; S49-Q177 WeakPolarHBondContact CB-O 3.47Å
50C85Confident90.2Very high0 Ų057.7 Ų57.70%030%0.298CS..EExtended strand (participates in β ladder)trans-142.7117.7174.1-173.60000109.8K52 S53 C55 T173C50-K52 VanDerWaalsContact C-N 3.28Å; C50-K52 PolarHBondContact O-N 3.5Å; C50-S53 PolarHBondContact N-O 2.99Å; C50-S53 CarbonylContact O-C 3.59Å; C50-S53 WeakPolarHBondContact O-CA 3.39Å; C50-S53 WeakPolarHBondContact O-CB 3.44Å; C50-S53 PolarHBondContact O-N 3Å; C50-C55 HydrophobicContact CB-CB 3.87Å; C50-C55 WeakPolarHBondContact CB-SG 3.43Å; C50-T173 CarbonylContact C-O 3.59Å; C50-T173 VanDerWaalsContact CA-O 3.23Å; C50-T173 WeakPolarHBondContact CA-O 3.47Å
51D83.9Confident90.7Very high74 Ų7451.7 Ų51.740%0.39626%0.261SS..THydrogen-bonded Turntrans50.144.3178.4-58.2-45.3000113.5S53 T173D51-S53 PolarHBondContact O-N 3.26Å; D51-T173 PolarHBondContact N-O 3.42Å; D51-T173 PolarHBondContact OD1-N 3.17Å
52K77.3Confident91Very high196 Ų19648.3 Ų48.385%0.85225%0.245SC*.THydrogen-bonded Turntrans65.89.9-176.1-49.8170.4-178.2170.20114.6C50C50-K52 VanDerWaalsContact C-N 3.28Å; C50-K52 PolarHBondContact O-N 3.5Å
53S84.1Confident90.7Very high71 Ų7145.4 Ų45.450%0.49723%0.231SC..EExtended strand (participates in β ladder)trans-112.9177.7171.1-59.50000110.2S49 C50 D51S49-S53 CarbonylContact C-O 3.57Å; S49-S53 WeakPolarHBondContact CA-O 3.48Å; C50-S53 PolarHBondContact N-O 2.99Å; C50-S53 CarbonylContact O-C 3.59Å; C50-S53 WeakPolarHBondContact O-CA 3.39Å; C50-S53 WeakPolarHBondContact O-CB 3.44Å; C50-S53 PolarHBondContact O-N 3Å; D51-S53 PolarHBondContact O-N 3.26Å
54I87.2Confident89.9Confident107 Ų10743.1 Ų43.155%0.54922%0.219SC..EExtended strand (participates in β ladder)trans-98.7137.9174.8-63.6175.8000108.8V47 I48 I178V47-I54 HydrophobicContact CG1-CG2 3.22Å; I48-I54 WeakPolarHBondContact O-CA 3.45Å; I54-I178 HydrophobicContact CD1-CG2 4.29Å; I54-I178 HydrophobicContact CG1-CG2 4.3Å
55C90.1Very high88.9Confident7 Ų745 Ų455%0.04724%0.237CC..EExtended strand (participates in β ladder)trans-138174.1166.684.70000112.2N6 I48 C50N6-C55 HydrophobicContact CB-CB 4.17Å; N6-C55 WeakPolarHBondContact O-CB 3.28Å; I48-C55 WeakPolarHBondContact CG1-SG 3.38Å; I48-C55 PolarHBondContact N-O 3.3Å; I48-C55 PolarHBondContact O-N 3.31Å; C50-C55 HydrophobicContact CB-CB 3.87Å; C50-C55 WeakPolarHBondContact CB-SG 3.43Å
56T92.8Very high88Confident39 Ų3945.6 Ų45.624%0.23925%0.246CC..EExtended strand (participates in β ladder)trans-97.1122.5176.5-48.20000110.2D7 Y8 R45 Q46 Q58D7-T56 CarbonylContact C-O 3.59Å; D7-T56 VanDerWaalsContact CA-O 3.28Å; D7-T56 WeakPolarHBondContact CA-O 3.46Å; D7-T56 VanDerWaalsContact OD1-CB 3.28Å; D7-T56 WeakPolarHBondContact OD1-CB 3.19Å; D7-T56 PolarHBondContact OD1-OG1 2.85Å; Y8-T56 PolarHBondContact N-O 2.92Å; R45-T56 HydrophobicContact CB-CG2 3.81Å; R45-T56 HydrophobicContact CG-CG2 3.96Å; Q46-T56 CarbonylContact O-C 3.46Å; T56-Q58 HydrophobicContact CG2-CG 4.32Å; T56-Q58 PolarHBondContact O-N 2.89Å
57L95.3Very high87.4Confident1 Ų143.8 Ų43.81%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-74.4112.2159.6-172.256.3000108.6Y8 V10 F27 R45 Q46 I48 I59 L166 L176Y8-L57 HydrophobicContact CD1-CD1 3.88Å; Y8-L57 CarbonylContact O-C 3.56Å; Y8-L57 WeakPolarHBondContact O-CA 3.17Å; V10-L57 HydrophobicContact CG2-CD1 3.72Å; F27-L57 HydrophobicContact CE1-CD2 4.13Å; F27-L57 HydrophobicContact CZ-CD2 4.46Å; R45-L57 CarbonylContact C-O 3.58Å; R45-L57 VanDerWaalsContact CA-O 3.3Å; R45-L57 WeakPolarHBondContact CA-O 3.49Å; Q46-L57 HydrophobicContact CB-CB 4.37Å; Q46-L57 PolarHBondContact N-O 3.42Å; Q46-L57 WeakPolarHBondContact O-CB 3.24Å; Q46-L57 PolarHBondContact O-N 2.79Å; I48-L57 HydrophobicContact CD1-CB 3.82Å; I48-L57 HydrophobicContact CD1-CD1 4.25Å; I48-L57 HydrophobicContact CG1-CB 4.12Å; I48-L57 HydrophobicContact CG2-CB 3.71Å; I48-L57 HydrophobicContact CG2-CD2 4.14Å; L57-I59 HydrophobicContact CD2-CD1 3.97Å; L57-I59 HydrophobicContact CD2-CG1 4.15Å; L57-I59 HydrophobicContact CG-CD1 4.22Å; L57-I59 HydrophobicContact CG-CG1 3.88Å; L57-L166 HydrophobicContact CD1-CD2 4.26Å; L57-L176 HydrophobicContact CD2-CD2 4.17Å
58Q97.1Very high87.2Confident23 Ų2347.5 Ų47.511%0.10725%0.248CC..EExtended strand (participates in β ladder)trans-95.5123.5167.5-64.8-172.5-1.900109D7 Y8 R9 V10 T43 Y44 R45 T56D7-Q58 HydrophobicContact CB-CG 4.28Å; D7-Q58 PolarHBondContact OD2-NE2 3.34Å; Y8-Q58 PolarHBondContact O-N 2.83Å; R9-Q58 CarbonylContact C-O 3.48Å; R9-Q58 WeakPolarHBondContact CA-O 3.4Å; R9-Q58 HydrophobicContact CG-CB 4.23Å; V10-Q58 PolarHBondContact N-O 3.35Å; T43-Q58 HydrophobicContact CG2-CB 4.11Å; T43-Q58 HydrophobicContact CG2-CG 4.49Å; Y44-Q58 CarbonylContact O-C 3.59Å; Y44-Q58 WeakPolarHBondContact O-CA 3.42Å; R45-Q58 HydrophobicContact CG-CG 4.48Å; T56-Q58 HydrophobicContact CG2-CG 4.32Å; T56-Q58 PolarHBondContact O-N 2.89Å
59I97.8Very high87.1Confident1 Ų151.7 Ų51.71%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-115110.8176.7-52.5168.4000107.6V10 V12 V24 F27 V28 T43 Y44 L57 F162V10-I59 HydrophobicContact CB-CG1 4.49Å; V10-I59 CarbonylContact O-C 3.54Å; V10-I59 WeakPolarHBondContact O-CA 3.21Å; V12-I59 HydrophobicContact CG2-CG2 3.83Å; V24-I59 HydrophobicContact CG1-CB 4.39Å; V24-I59 HydrophobicContact CG1-CG2 3.93Å; V24-I59 HydrophobicContact CG2-CG2 3.8Å; F27-I59 HydrophobicContact CD1-CD1 3.63Å; F27-I59 HydrophobicContact CE1-CD1 3.63Å; V28-I59 HydrophobicContact CG2-CD1 4.09Å; T43-I59 WeakPolarHBondContact CA-O 3.31Å; Y44-I59 PolarHBondContact N-O 2.85Å; Y44-I59 PolarHBondContact O-N 2.85Å; L57-I59 HydrophobicContact CD2-CD1 3.97Å; L57-I59 HydrophobicContact CD2-CG1 4.15Å; L57-I59 HydrophobicContact CG-CD1 4.22Å; L57-I59 HydrophobicContact CG-CG1 3.88Å; I59-F162 HydrophobicContact CD1-CD1 4.06Å; I59-F162 HydrophobicContact CD1-CE1 3.66Å; I59-F162 HydrophobicContact CD1-CZ 4.33Å; I59-F162 HydrophobicContact CG1-CE1 4.27Å; I59-F162 HydrophobicContact CG2-CE1 4.13Å
60T96.8Very high87.2Confident18 Ų1854.9 Ų54.911%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-90.8111176.3-58.40000109.2V10 V12 E41 D42 T43 T62V10-T60 PolarHBondContact O-N 2.71Å; V12-T60 PolarHBondContact N-O 2.98Å; E41-T60 HydrophobicContact CG-CG2 3.89Å; D42-T60 WeakPolarHBondContact O-CA 2.86Å; T43-T60 PolarHBondContact OG1-OG1 2.82Å; T60-T62 HydrophobicContact CG2-CG2 4.23Å
61D94.9Very high87.5Confident1 Ų158.7 Ų58.71%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-85.8109.3169-178.529.7000108.6K20 S21 V24 E41 D42 Y44K20-D61 VanDerWaalsContact CB-OD1 3.31Å; K20-D61 WeakPolarHBondContact CB-OD1 3.42Å; S21-D61 WeakPolarHBondContact CA-OD2 3.46Å; S21-D61 WeakPolarHBondContact CB-OD2 3.38Å; S21-D61 PolarHBondContact N-OD1 3.37Å; S21-D61 VanDerWaalsContact OG-CG 3.32Å; S21-D61 PolarHBondContact OG-OD1 2.81Å; S21-D61 PolarHBondContact OG-OD2 2.91Å; V24-D61 HydrophobicContact CG2-CB 4.33Å; E41-D61 WeakPolarHBondContact CA-O 3.43Å; D42-D61 PolarHBondContact N-O 3.01Å; D42-D61 PolarHBondContact O-N 2.52Å; Y44-D61 HydrophobicContact CE2-CB 4.12Å
62T93.4Very high87.9Confident1 Ų156.5 Ų56.51%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-85159.1-175.372.90000111.4V11 V12 F13 K20 T60V11-T62 HydrophobicContact CG1-CG2 3.69Å; V12-T62 WeakPolarHBondContact O-CG2 3.41Å; V12-T62 PolarHBondContact O-OG1 3.37Å; F13-T62 HydrophobicContact CD1-CG2 3.93Å; F13-T62 HydrophobicContact CE1-CG2 3.77Å; K20-T62 WeakPolarHBondContact CE-O 3.48Å; T60-T62 HydrophobicContact CG2-CG2 4.23Å
63T86.3Confident88.7Confident24 Ų2452.8 Ų52.815%0.14729%0.288CS..  trans-57.4153.8158-159.70000109.5T39 V40 H66 Q67T39-T63 WeakPolarHBondContact O-CB 3.41Å; T39-T63 PolarHBondContact O-OG1 2.94Å; V40-T63 WeakPolarHBondContact O-CB 3.23Å; V40-T63 PolarHBondContact O-N 3.23Å; T63-H66 HydrophobicContact CG2-CB 4.34Å; T63-Q67 HydrophobicContact CG2-CB 3.47Å; T63-Q67 VanDerWaalsContact CG2-CB 3.47Å; T63-Q67 HydrophobicContact CG2-CG 3.96Å
64G77.8Confident89.2Confident13 Ų1352.9 Ų52.913%0.13428%0.283CS..SBendtrans-69.1-128.8178.500000112.4G14 K20 H66 Q67G14-G64 VanDerWaalsContact O-CA 3.3Å; G14-G64 WeakPolarHBondContact O-CA 3.48Å; K20-G64 VanDerWaalsContact NZ-CA 3.29Å; G64-H66 PolarHBondContact O-N 2.8Å; G64-Q67 PolarHBondContact O-N 2.78Å
65S73.1Confident89.5Confident73 Ų7348.5 Ų48.551%0.5126%0.262SS..THydrogen-bonded Turntrans-67.72.3-175.9-38.30000114.5A15 E96A15-S65 WeakPolarHBondContact CA-OG 3.39Å; S65-E96 PolarHBondContact OG-OE2 2.86Å
66H75.9Confident89.8Confident162 Ų16248.1 Ų48.175%0.7526%0.26SS*.THydrogen-bonded Turntrans-100.68.1-177.9-58.8-59.4000114.4T63 G64 F68T63-H66 HydrophobicContact CG2-CB 4.34Å; G64-H66 PolarHBondContact O-N 2.8Å; H66-F68 PolarHBondContact O-N 3.04Å
67Q78.2Confident89.9Confident22 Ų2249.7 Ų49.710%0.10327%0.272CS..  trans-72.4131.9-178-157.9176.827.100110.4E41 T63 G64 M71E41-Q67 PolarHBondContact OE2-NE2 2.77Å; T63-Q67 HydrophobicContact CG2-CB 3.47Å; T63-Q67 VanDerWaalsContact CG2-CB 3.47Å; T63-Q67 HydrophobicContact CG2-CG 3.96Å; G64-Q67 PolarHBondContact O-N 2.78Å; Q67-M71 HydrophobicContact CG-CB 4.2Å
68F85.9Confident89.9Confident158 Ų15855 Ų5569%0.69330%0.295SS*.  trans-58.6131.5173.8-72.1-80.4000110.2H66 A70 M71 Q72H66-F68 PolarHBondContact O-N 3.04Å; F68-A70 PolarHBondContact O-N 3.12Å; F68-A70 VanDerWaalsContact O-N 3.08Å; F68-M71 HydrophobicContact CB-CB 4.39Å; F68-M71 HydrophobicContact CB-CG 4.17Å; F68-M71 WeakPolarHBondContact O-CA 3.35Å; F68-M71 WeakPolarHBondContact O-CB 3.33Å; F68-M71 PolarHBondContact O-N 2.95Å; F68-Q72 PolarHBondContact O-N 3.07Å; F68-Q72 VanDerWaalsContact O-N 3.07Å
69P88.5Confident89.8Confident88 Ų8854 Ų5457%0.57129%0.29SS*.Hα-helixtrans-54.3-36-175.4-30.535.5000114.4Q72 R73P69-Q72 PolarHBondContact O-N 3.21Å; P69-R73 WeakPolarHBondContact O-CG 3.46Å; P69-R73 PolarHBondContact O-N 3.41Å
70A90.4Very high89.7Confident74 Ų7456.1 Ų56.161%0.61230%0.3SS*.Hα-helixtrans-63.8-40176.100000112.5F68 R73 L74F68-A70 PolarHBondContact O-N 3.12Å; F68-A70 VanDerWaalsContact O-N 3.08Å; A70-R73 PolarHBondContact O-N 2.86Å; A70-L74 WeakPolarHBondContact O-CB 3.48Å; A70-L74 PolarHBondContact O-N 2.78Å
71M90.5Very high89.7Confident79 Ų7955.2 Ų55.239%0.38930%0.295SS..Hα-helixtrans-70-38.4177.4-67.2-60.9-69.700111.7Q67 F68 L74 S75Q67-M71 HydrophobicContact CG-CB 4.2Å; F68-M71 HydrophobicContact CB-CB 4.39Å; F68-M71 HydrophobicContact CB-CG 4.17Å; F68-M71 WeakPolarHBondContact O-CA 3.35Å; F68-M71 WeakPolarHBondContact O-CB 3.33Å; F68-M71 PolarHBondContact O-N 2.95Å; M71-L74 PolarHBondContact O-N 3.42Å; M71-S75 WeakPolarHBondContact O-CB 3.36Å; M71-S75 PolarHBondContact O-N 2.86Å; M71-S75 PolarHBondContact O-OG 2.78Å
72Q93.1Very high89.8Confident29 Ų2955.2 Ų55.214%0.13630%0.295CS..Hα-helixtrans-61.3-47.7172.4-174.6-173.5-29.900110.9F13 F68 P69 L74 S75 I76F13-Q72 HydrophobicContact CE1-CG 3.81Å; F13-Q72 HydrophobicContact CZ-CG 4.06Å; F68-Q72 PolarHBondContact O-N 3.07Å; F68-Q72 VanDerWaalsContact O-N 3.07Å; P69-Q72 PolarHBondContact O-N 3.21Å; Q72-L74 VanDerWaalsContact C-N 3.32Å; Q72-L74 PolarHBondContact O-N 2.86Å; Q72-S75 PolarHBondContact O-N 3.42Å; Q72-I76 HydrophobicContact CG-CD1 4.07Å; Q72-I76 VanDerWaalsContact O-CG1 3.3Å; Q72-I76 WeakPolarHBondContact O-CG1 3.25Å; Q72-I76 PolarHBondContact O-N 2.88Å
73R93.6Very high90.1Very high117 Ų11755.2 Ų55.244%0.44230%0.295SS..Hα-helixtrans-58.7-42.1175.8-73.2-175-174-89.4-3112.1P69 A70 I76 S77 I107P69-R73 WeakPolarHBondContact O-CG 3.46Å; P69-R73 PolarHBondContact O-N 3.41Å; A70-R73 PolarHBondContact O-N 2.86Å; R73-I76 PolarHBondContact O-N 3.34Å; R73-S77 WeakPolarHBondContact O-CB 3.13Å; R73-S77 PolarHBondContact O-N 2.65Å; R73-I107 HydrophobicContact CB-CD1 4.15Å; R73-I107 HydrophobicContact CG-CD1 4.03Å
74L93.8Very high90.7Very high74 Ų7454 Ų5439%0.38729%0.288SS..Hα-helixtrans-64.1-43.2176.9-175.863000111.9A70 M71 Q72 S77 K78A70-L74 WeakPolarHBondContact O-CB 3.48Å; A70-L74 PolarHBondContact O-N 2.78Å; M71-L74 PolarHBondContact O-N 3.42Å; Q72-L74 VanDerWaalsContact C-N 3.32Å; Q72-L74 PolarHBondContact O-N 2.86Å; L74-S77 PolarHBondContact O-N 3.19Å; L74-K78 HydrophobicContact CD1-CD 4.17Å; L74-K78 HydrophobicContact CD1-CG 4.42Å; L74-K78 HydrophobicContact CG-CD 4.21Å; L74-K78 WeakPolarHBondContact O-CB 3.46Å; L74-K78 WeakPolarHBondContact O-CG 3.4Å; L74-K78 PolarHBondContact O-N 3.22Å
75S95Very high91.7Very high14 Ų1453.4 Ų53.410%0.09828%0.281CS..Hα-helixtrans-62.2-44.3177-60.30000111M71 Q72 K78 G79M71-S75 WeakPolarHBondContact O-CB 3.36Å; M71-S75 PolarHBondContact O-N 2.86Å; M71-S75 PolarHBondContact O-OG 2.78Å; Q72-S75 PolarHBondContact O-N 3.42Å; S75-K78 PolarHBondContact O-N 3.07Å; S75-G79 PolarHBondContact O-N 2.85Å
76I95.4Very high92.9Very high0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-61.7-51.1173.7-64.9168.5000110.1F13 Q72 R73 K78 G79 F82 Q103 V104 I107 K108F13-I76 HydrophobicContact CE2-CG1 3.8Å; F13-I76 HydrophobicContact CZ-CD1 4.48Å; F13-I76 HydrophobicContact CZ-CG1 3.81Å; Q72-I76 HydrophobicContact CG-CD1 4.07Å; Q72-I76 VanDerWaalsContact O-CG1 3.3Å; Q72-I76 WeakPolarHBondContact O-CG1 3.25Å; Q72-I76 PolarHBondContact O-N 2.88Å; R73-I76 PolarHBondContact O-N 3.34Å; I76-K78 VanDerWaalsContact C-N 3.26Å; I76-K78 PolarHBondContact O-N 3.43Å; I76-G79 PolarHBondContact O-N 2.89Å; I76-F82 HydrophobicContact CB-CE1 4.36Å; I76-F82 HydrophobicContact CB-CZ 4.4Å; I76-F82 HydrophobicContact CG1-CE1 4.26Å; I76-F82 HydrophobicContact CG2-CE1 4.39Å; I76-F82 HydrophobicContact CG2-CZ 4.01Å; I76-F82 WeakPolarHBondContact O-CZ 3.07Å; I76-Q103 HydrophobicContact CD1-CB 4.15Å; I76-Q103 HydrophobicContact CD1-CG 3.81Å; I76-V104 HydrophobicContact CD1-CG2 3.87Å; I76-V104 HydrophobicContact CG1-CG2 3.95Å; I76-V104 HydrophobicContact CG2-CB 4.45Å; I76-V104 HydrophobicContact CG2-CG2 4.16Å; I76-I107 HydrophobicContact CB-CD1 4Å; I76-I107 HydrophobicContact CD1-CD1 4.26Å; I76-I107 HydrophobicContact CG2-CB 3.7Å; I76-I107 HydrophobicContact CG2-CD1 3.83Å; I76-I107 HydrophobicContact CG2-CG1 4.33Å; I76-I107 HydrophobicContact CG2-CG2 3.76Å; I76-K108 WeakPolarHBondContact O-CE 3.31Å; I76-K108 PolarHBondContact O-NZ 3.47Å
77S94.9Very high94Very high71 Ų7142.4 Ų42.450%0.49722%0.223SC..Hα-helixtrans-53.8-43.7179.7179.30000112R73 L74 K108R73-S77 WeakPolarHBondContact O-CB 3.13Å; R73-S77 PolarHBondContact O-N 2.65Å; L74-S77 PolarHBondContact O-N 3.19Å; S77-K108 PolarHBondContact O-NZ 2.91Å
78K94.7Very high95Very high113 Ų11341.4 Ų41.449%0.49122%0.218SC..Hα-helixtrans-81.5-21.3-179.3-71.3179.4176.6173.50115.5R9 L74 S75 I76R9-K78 WeakPolarHBondContact CD-O 3.39Å; L74-K78 HydrophobicContact CD1-CD 4.17Å; L74-K78 HydrophobicContact CD1-CG 4.42Å; L74-K78 HydrophobicContact CG-CD 4.21Å; L74-K78 WeakPolarHBondContact O-CB 3.46Å; L74-K78 WeakPolarHBondContact O-CG 3.4Å; L74-K78 PolarHBondContact O-N 3.22Å; S75-K78 PolarHBondContact O-N 3.07Å; I76-K78 VanDerWaalsContact C-N 3.26Å; I76-K78 PolarHBondContact O-N 3.43Å
79G95.8Very high95.6Very high1 Ų135 Ų351%0.0119%0.192CC..  trans-71.7145.3-176.800000113S75 I76 K108S75-G79 PolarHBondContact O-N 2.85Å; I76-G79 PolarHBondContact O-N 2.89Å; G79-K108 WeakPolarHBondContact O-CE 3.09Å; G79-K108 PolarHBondContact O-NZ 3.42Å
80H95.4Very high96Very high46 Ų4632.5 Ų32.521%0.21318%0.176CC..SBendtrans-95.7-34.2173.2-60.8114.9000111.6D7 Y8 R9D7-H80 PolarHBondContact O-CE1 3.39Å; D7-H80 PolarHBondContact O-ND1 2.94Å; Y8-H80 HydrophobicContact CD2-CB 4.19Å; Y8-H80 HydrophobicContact CE1-CB 4.37Å; Y8-H80 HydrophobicContact CE2-CB 3.8Å; R9-H80 WeakPolarHBondContact CB-ND1 3.31Å; R9-H80 PolarHBondContact N-ND1 3.31Å; R9-H80 WeakPolarHBondContact O-CA 3.21Å; R9-H80 WeakPolarHBondContact O-CB 3.41Å; R9-H80 PolarHBondContact O-N 3.23Å
81A97Very high96.4Very high0 Ų033.6 Ų33.60%017%0.165CC..EExtended strand (participates in β ladder)trans-141.8157.8179.200000111.4Y8 R9 V10 V11 P115 L165Y8-A81 HydrophobicContact CE1-CB 3.97Å; R9-A81 PolarHBondContact O-N 3.21Å; R9-A81 VanDerWaalsContact O-N 3.12Å; V10-A81 WeakPolarHBondContact CA-O 3.28Å; V10-A81 HydrophobicContact CG2-CB 4.24Å; V11-A81 PolarHBondContact N-O 2.84Å; A81-P115 CarbonylContact C-O 3.57Å; A81-P115 WeakPolarHBondContact CA-O 3.43Å; A81-P115 HydrophobicContact CB-CB 3.78Å; A81-P115 HydrophobicContact CB-CG 4.29Å; A81-L165 HydrophobicContact CB-CD1 4.23Å; A81-L165 HydrophobicContact CB-CD2 4Å; A81-L165 HydrophobicContact CB-CG 4.07Å
82F98.2Very high96.8Very high0 Ų035.7 Ų35.70%017%0.173CC..EExtended strand (participates in β ladder)trans-131.3135.5-173.5-57.9-76.3000112.4V11 F13 I76 V104 K108 C114 P115 I116 M117V11-F82 HydrophobicContact CB-CD1 3.98Å; V11-F82 HydrophobicContact CB-CE1 4.09Å; V11-F82 HydrophobicContact CG2-CE1 4.18Å; V11-F82 WeakPolarHBondContact O-CA 3.28Å; F13-F82 HydrophobicContact CD2-CD1 4.23Å; F13-F82 AromaticContact CE2-CD1 3.8Å; F13-F82 HydrophobicContact CE2-CD1 3.8Å; F13-F82 HydrophobicContact CE2-CE1 4.13Å; I76-F82 HydrophobicContact CB-CE1 4.36Å; I76-F82 HydrophobicContact CB-CZ 4.4Å; I76-F82 HydrophobicContact CG1-CE1 4.26Å; I76-F82 HydrophobicContact CG2-CE1 4.39Å; I76-F82 HydrophobicContact CG2-CZ 4.01Å; I76-F82 WeakPolarHBondContact O-CZ 3.07Å; F82-V104 HydrophobicContact CD1-CG2 4.25Å; F82-V104 HydrophobicContact CD2-CG1 3.53Å; F82-V104 HydrophobicContact CD2-CG2 4.35Å; F82-V104 HydrophobicContact CE2-CG1 3.69Å; F82-V104 HydrophobicContact CG-CG1 4.14Å; F82-V104 HydrophobicContact CG-CG2 4.18Å; F82-V104 HydrophobicContact CZ-CG1 4.43Å; F82-K108 HydrophobicContact CE2-CD 4.38Å; F82-K108 HydrophobicContact CE2-CG 4.02Å; F82-C114 VanDerWaalsContact CD2-SG 3.59Å; F82-C114 WeakPolarHBondContact CE2-SG 3.07Å; F82-P115 PolarHBondContact N-O 3.39Å; F82-I116 HydrophobicContact CB-CG1 4.37Å; F82-I116 HydrophobicContact CD2-CG1 4.35Å; F82-I116 WeakPolarHBondContact O-CA 3.27Å; F82-M117 PolarHBondContact O-N 3.05Å
83I98.7Very high97Very high1 Ų134.5 Ų34.51%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-111.6123.4169.5-57.8179.3000107.4V10 V11 V12 F13 V85 M117 V119 L161 F162 L165V10-I83 HydrophobicContact CG1-CD1 3.81Å; V10-I83 HydrophobicContact CG1-CG1 3.88Å; V11-I83 PolarHBondContact O-N 2.97Å; V12-I83 WeakPolarHBondContact CA-O 3.14Å; V12-I83 HydrophobicContact CG1-CB 4.28Å; V12-I83 HydrophobicContact CG1-CG2 4.33Å; V12-I83 HydrophobicContact CG2-CB 4.31Å; V12-I83 HydrophobicContact CG2-CD1 4.28Å; F13-I83 PolarHBondContact N-O 2.85Å; I83-V85 HydrophobicContact CG2-CG2 3.67Å; I83-M117 WeakPolarHBondContact CA-O 3.35Å; I83-V119 HydrophobicContact CG2-CB 4.35Å; I83-V119 HydrophobicContact CG2-CG2 3.57Å; I83-L161 HydrophobicContact CD1-CD1 4.33Å; I83-L161 HydrophobicContact CD1-CD2 4.35Å; I83-L161 HydrophobicContact CD1-CG 4.3Å; I83-L161 HydrophobicContact CG2-CD1 4.39Å; I83-L161 HydrophobicContact CG2-CD2 4.46Å; I83-F162 HydrophobicContact CD1-CD1 4.1Å; I83-F162 HydrophobicContact CD1-CE1 3.64Å; I83-F162 HydrophobicContact CD1-CZ 4.03Å; I83-L165 HydrophobicContact CD1-CD2 3.86Å; I83-L165 HydrophobicContact CG1-CD2 3.57Å
84L98.5Very high97.3Very high0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-109103.2179.1-56.7-173.9000108.6F13 L97 I100 Y101 I116 M117 L118 V119 W143F13-L84 HydrophobicContact CB-CD2 3.93Å; F13-L84 HydrophobicContact CD2-CD2 4.18Å; L84-L97 HydrophobicContact CB-CD1 3.99Å; L84-L97 HydrophobicContact CB-CD2 3.99Å; L84-L97 HydrophobicContact CB-CG 4.49Å; L84-I100 HydrophobicContact CD2-CG2 4.06Å; L84-Y101 HydrophobicContact CD1-CD2 4.18Å; L84-I116 HydrophobicContact CD1-CG2 3.9Å; L84-I116 HydrophobicContact CG-CG2 4.11Å; L84-M117 PolarHBondContact N-O 3.27Å; L84-L118 HydrophobicContact CB-CD1 4.34Å; L84-V119 PolarHBondContact O-N 3.04Å; L84-W143 HydrophobicContact CD1-CE3 4.38Å; L84-W143 HydrophobicContact CD1-CZ3 4.02Å
85V98.8Very high97.5Very high0 Ų031.9 Ų31.90%016%0.16CC..EExtended strand (participates in β ladder)trans-100.3128.8-171.8-170.20000110.8V12 F13 G14 V18 K20 L23 I83 V119 N121V12-V85 HydrophobicContact CG1-CG2 3.66Å; F13-V85 PolarHBondContact O-N 2.84Å; G14-V85 VanDerWaalsContact CA-O 3.26Å; G14-V85 WeakPolarHBondContact CA-O 3.43Å; V18-V85 HydrophobicContact CB-CG1 4.29Å; V18-V85 HydrophobicContact CG2-CB 4.01Å; V18-V85 HydrophobicContact CG2-CG1 3.83Å; K20-V85 HydrophobicContact CG-CB 4.19Å; K20-V85 HydrophobicContact CG-CG2 4.3Å; L23-V85 HydrophobicContact CD1-CG1 3.92Å; L23-V85 HydrophobicContact CD1-CG2 4.04Å; I83-V85 HydrophobicContact CG2-CG2 3.67Å; V85-V119 WeakPolarHBondContact CA-O 3.43Å; V85-V119 HydrophobicContact CG2-CB 4.35Å; V85-N121 HydrophobicContact CG1-CB 3.81Å
86Y98.8Very high97.5Very high0 Ų034.3 Ų34.30%017%0.169CC..EExtended strand (participates in β ladder)trans-122.2165.5165.674.5-83.8000110.2V88 S93 L94 L97 L118 V119 N121 V131 F147Y86-V88 HydrophobicContact CE2-CG1 4.35Å; Y86-S93 WeakPolarHBondContact CB-OG 3.34Å; Y86-L94 HydrophobicContact CD1-CD1 3.71Å; Y86-L94 HydrophobicContact CD2-CB 3.89Å; Y86-L94 HydrophobicContact CD2-CD1 4.43Å; Y86-L94 HydrophobicContact CE1-CD1 3.91Å; Y86-L94 HydrophobicContact CE2-CB 4.45Å; Y86-L94 HydrophobicContact CG-CB 3.95Å; Y86-L94 HydrophobicContact CG-CD1 3.99Å; Y86-L97 HydrophobicContact CD1-CD1 4.19Å; Y86-L97 HydrophobicContact CG-CD1 4.49Å; Y86-L118 HydrophobicContact CD1-CD1 3.91Å; Y86-L118 HydrophobicContact CD1-CG 4.38Å; Y86-L118 HydrophobicContact CE1-CD1 4.11Å; Y86-L118 HydrophobicContact CE1-CD2 4.48Å; Y86-L118 HydrophobicContact CE1-CG 4.09Å; Y86-V119 WeakPolarHBondContact CD1-O 3.1Å; Y86-V119 PolarHBondContact N-O 3.07Å; Y86-N121 PolarHBondContact O-N 3Å; Y86-V131 HydrophobicContact CE2-CB 3.95Å; Y86-V131 HydrophobicContact CE2-CG1 3.68Å; Y86-V131 HydrophobicContact CE2-CG2 4.26Å; Y86-F147 HydrophobicContact CE1-CE2 4.22Å
87S98.6Very high97.6Very high4 Ų434.3 Ų34.33%0.02817%0.169CC..EExtended strand (participates in β ladder)trans-95.1130.4172-165.10000109T89 S90 S93 K122S87-T89 PolarHBondContact O-N 3.37Å; S87-T89 PolarHBondContact OG-OG1 2.88Å; S87-S90 PolarHBondContact O-N 2.74Å; S87-S93 PolarHBondContact N-OG 3.28Å; S87-S93 PolarHBondContact O-OG 3.14Å; S87-K122 WeakPolarHBondContact OG-CD 3.31Å
88V98.8Very high97.7Very high0 Ų036.1 Ų36.10%017%0.168CC..THydrogen-bonded Turntrans-60.7-17.4174.7-58.60000112.8Y86 N121 K122 E130 V131Y86-V88 HydrophobicContact CE2-CG1 4.35Å; V88-N121 PolarHBondContact N-O 3.47Å; V88-K122 WeakPolarHBondContact CG2-O 3.43Å; V88-E130 PolarHBondContact O-N 3.08Å; V88-V131 PolarHBondContact O-N 2.89Å
89T98.6Very high97.8Very high25 Ų2534.4 Ų34.415%0.15317%0.169CC..THydrogen-bonded Turntrans-91.810177.770.20000113.9S87 E125 A128S87-T89 PolarHBondContact O-N 3.37Å; S87-T89 PolarHBondContact OG-OG1 2.88Å; T89-E125 HydrophobicContact CG2-CB 3.61Å; T89-E125 HydrophobicContact CG2-CG 4.44Å; T89-A128 VanDerWaalsContact CA-O 3.25Å; T89-A128 WeakPolarHBondContact CA-O 3.48Å; T89-A128 VanDerWaalsContact CB-O 3.28Å; T89-A128 WeakPolarHBondContact CB-O 3.45Å; T89-A128 HydrophobicContact CG2-CB 4Å
90S98.4Very high97.8Very high35 Ų3535.5 Ų35.525%0.24517%0.174CC..  trans-148.7101.8179.8176.90000110.4S87 Q92 S93 E130S87-S90 PolarHBondContact O-N 2.74Å; S90-Q92 VanDerWaalsContact C-N 3.27Å; S90-Q92 PolarHBondContact O-N 2.87Å; S90-S93 WeakPolarHBondContact O-CB 3.3Å; S90-S93 PolarHBondContact O-N 3.48Å; S90-S93 VanDerWaalsContact O-N 3.11Å; S90-S93 PolarHBondContact O-OG 3.34Å; S90-S93 PolarHBondContact OG-N 2.92Å; S90-E130 VanDerWaalsContact CA-OE2 3.25Å; S90-E130 WeakPolarHBondContact CA-OE2 3.34Å
91R98.3Very high97.8Very high96 Ų9634.8 Ų34.836%0.36217%0.17SC..Hα-helixtrans-59.6-40.2175.4-179.1165.2-66.5-88.9-5.4112.2S93 L94 E95 E130 V131 D135R91-S93 PolarHBondContact O-N 3.4Å; R91-L94 WeakPolarHBondContact O-CB 3.3Å; R91-L94 PolarHBondContact O-N 2.97Å; R91-E95 PolarHBondContact O-N 2.96Å; R91-E130 HydrophobicContact CB-CB 4.47Å; R91-E130 PolarHBondContact N-OE2 3.29Å; R91-E130 PolarHBondContact NH2-O 2.84Å; R91-V131 HydrophobicContact CB-CG2 4.01Å; R91-D135 IonicContact CZ-OD2 3.66Å; R91-D135 IonicContact NH1-OD2 3.67Å; R91-D135 IonicContact NH2-OD2 2.75Å; R91-D135 PolarHBondContact NH2-OD2 2.99Å
92Q98Very high97.7Very high123 Ų12339.7 Ų39.758%0.57519%0.193SC*.Hα-helixtrans-53.8-40.8174.8-177.6-177.4-13.300112S90 L94 E95 E96S90-Q92 VanDerWaalsContact C-N 3.27Å; S90-Q92 PolarHBondContact O-N 2.87Å; Q92-L94 PolarHBondContact O-N 3.32Å; Q92-E95 PolarHBondContact O-N 2.9Å; Q92-E95 VanDerWaalsContact O-N 3.12Å; Q92-E96 HydrophobicContact CG-CG 4.41Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.47Å; Q92-E96 PolarHBondContact NE2-OE1 3Å; Q92-E96 WeakPolarHBondContact O-CG 3.46Å; Q92-E96 PolarHBondContact O-N 3.39Å
93S98.4Very high97.6Very high4 Ų441 Ų413%0.02820%0.199CC..Hα-helixtrans-65.4-25.9-179.375.30000113.9Y86 S87 S90 R91Y86-S93 WeakPolarHBondContact CB-OG 3.34Å; S87-S93 PolarHBondContact N-OG 3.28Å; S87-S93 PolarHBondContact O-OG 3.14Å; S90-S93 WeakPolarHBondContact O-CB 3.3Å; S90-S93 PolarHBondContact O-N 3.48Å; S90-S93 VanDerWaalsContact O-N 3.11Å; S90-S93 PolarHBondContact O-OG 3.34Å; S90-S93 PolarHBondContact OG-N 2.92Å; R91-S93 PolarHBondContact O-N 3.4Å
94L98.6Very high97.4Very high13 Ų1341 Ų417%0.06820%0.199CC..Hα-helixtrans-75.6-41.9171.7176.560.3000111Y86 R91 Q92 E96 L97 L118 V131 T139Y86-L94 HydrophobicContact CD1-CD1 3.71Å; Y86-L94 HydrophobicContact CD2-CB 3.89Å; Y86-L94 HydrophobicContact CD2-CD1 4.43Å; Y86-L94 HydrophobicContact CE1-CD1 3.91Å; Y86-L94 HydrophobicContact CE2-CB 4.45Å; Y86-L94 HydrophobicContact CG-CB 3.95Å; Y86-L94 HydrophobicContact CG-CD1 3.99Å; R91-L94 WeakPolarHBondContact O-CB 3.3Å; R91-L94 PolarHBondContact O-N 2.97Å; Q92-L94 PolarHBondContact O-N 3.32Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.24Å; L94-L97 HydrophobicContact CD1-CD1 4.39Å; L94-L97 WeakPolarHBondContact O-CB 3.21Å; L94-L97 PolarHBondContact O-N 3.25Å; L94-L97 VanDerWaalsContact O-N 3.17Å; L94-L118 HydrophobicContact CD1-CD1 4.03Å; L94-L118 HydrophobicContact CD1-CD2 4.34Å; L94-V131 HydrophobicContact CD2-CG1 3.88Å; L94-T139 HydrophobicContact CD1-CG2 4.3Å
95E97.6Very high97.2Very high124 Ų12442.2 Ų42.258%0.57921%0.207SC*.Hα-helixtrans-63.4-38.6179.2-66.2174179.100111.9R91 Q92 L97 K98R91-E95 PolarHBondContact O-N 2.96Å; Q92-E95 PolarHBondContact O-N 2.9Å; Q92-E95 VanDerWaalsContact O-N 3.12Å; E95-L97 PolarHBondContact O-N 3.49Å; E95-L97 VanDerWaalsContact O-N 3.16Å; E95-K98 WeakPolarHBondContact O-CB 3.39Å; E95-K98 PolarHBondContact O-N 3.29Å; E95-K98 VanDerWaalsContact O-N 3.14Å
96E96.3Very high97Very high64 Ų6449 Ų4930%0.29924%0.239SC..THydrogen-bonded Turntrans-62.6-17.6176-76.3-176.6-153.100113.8A15 S65 Q92 L94 P99A15-E96 VanDerWaalsContact CB-OE2 3.27Å; A15-E96 WeakPolarHBondContact CB-OE2 3.22Å; S65-E96 PolarHBondContact OG-OE2 2.86Å; Q92-E96 HydrophobicContact CG-CG 4.41Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.47Å; Q92-E96 PolarHBondContact NE2-OE1 3Å; Q92-E96 WeakPolarHBondContact O-CG 3.46Å; Q92-E96 PolarHBondContact O-N 3.39Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.24Å; E96-P99 WeakPolarHBondContact O-CD 3.31Å
97L97.6Very high96.9Very high1 Ų151.7 Ų51.71%0.00525%0.253CS..Hα-helixtrans-77-22.1176.5-69.6176.1000113.1L84 Y86 L94 E95 I100 Y101 L118 W143L84-L97 HydrophobicContact CB-CD1 3.99Å; L84-L97 HydrophobicContact CB-CD2 3.99Å; L84-L97 HydrophobicContact CB-CG 4.49Å; Y86-L97 HydrophobicContact CD1-CD1 4.19Å; Y86-L97 HydrophobicContact CG-CD1 4.49Å; L94-L97 HydrophobicContact CD1-CD1 4.39Å; L94-L97 WeakPolarHBondContact O-CB 3.21Å; L94-L97 PolarHBondContact O-N 3.25Å; L94-L97 VanDerWaalsContact O-N 3.17Å; E95-L97 PolarHBondContact O-N 3.49Å; E95-L97 VanDerWaalsContact O-N 3.16Å; L97-I100 HydrophobicContact CD2-CD1 4.38Å; L97-I100 WeakPolarHBondContact O-CB 3.47Å; L97-I100 PolarHBondContact O-N 3.14Å; L97-Y101 PolarHBondContact O-N 3.12Å; L97-L118 HydrophobicContact CD1-CD1 3.61Å; L97-W143 HydrophobicContact CB-CH2 3.77Å; L97-W143 HydrophobicContact CB-CZ3 4.09Å
98K97Very high96.6Very high108 Ų10854.4 Ų54.447%0.4726%0.264SS..Hα-helixtrans-58.9-49.5-174.5179.2-175.8172-168.70112.9E95 I100 Y101 E102 W143E95-K98 WeakPolarHBondContact O-CB 3.39Å; E95-K98 PolarHBondContact O-N 3.29Å; E95-K98 VanDerWaalsContact O-N 3.14Å; K98-I100 VanDerWaalsContact C-N 3.27Å; K98-I100 PolarHBondContact O-N 3.15Å; K98-Y101 PolarHBondContact O-N 3.21Å; K98-E102 WeakPolarHBondContact CE-OE1 3.38Å; K98-E102 IonicContact NZ-OE1 3.59Å; K98-E102 WeakPolarHBondContact O-CG 3.33Å; K98-E102 PolarHBondContact O-N 3.41Å; K98-W143 HydrophobicContact CB-CH2 4.33Å; K98-W143 HydrophobicContact CB-CZ2 3.83Å; K98-W143 HydrophobicContact CG-CZ2 4.25Å
99P95.8Very high95.9Very high77 Ų7756.8 Ų56.850%0.529%0.289SS..Hα-helixtrans-62.5-34.5177.8-21.934.3000112.8E96 Q103E96-P99 WeakPolarHBondContact O-CD 3.31Å; P99-Q103 WeakPolarHBondContact O-CB 3.42Å; P99-Q103 PolarHBondContact O-N 3.02Å
100I95.5Very high94.8Very high25 Ų2562.3 Ų62.313%0.12831%0.312CS..Hα-helixtrans-67-47.5178.1-56.2178.3000109.9F13 L84 L97 K98 Q103 V104F13-I100 HydrophobicContact CB-CD1 4.22Å; F13-I100 HydrophobicContact CB-CG2 3.9Å; F13-I100 HydrophobicContact CD1-CG2 4.38Å; F13-I100 HydrophobicContact CD2-CG2 3.86Å; F13-I100 HydrophobicContact CE2-CG2 4.47Å; F13-I100 HydrophobicContact CG-CG2 3.81Å; L84-I100 HydrophobicContact CD2-CG2 4.06Å; L97-I100 HydrophobicContact CD2-CD1 4.38Å; L97-I100 WeakPolarHBondContact O-CB 3.47Å; L97-I100 PolarHBondContact O-N 3.14Å; K98-I100 VanDerWaalsContact C-N 3.27Å; K98-I100 PolarHBondContact O-N 3.15Å; I100-Q103 PolarHBondContact O-N 2.93Å; I100-V104 WeakPolarHBondContact O-CG2 3.48Å; I100-V104 PolarHBondContact O-N 3.3Å
101Y96.4Very high93.4Very high30 Ų3062 Ų6212%0.11831%0.309CS..Hα-helixtrans-57.2-50.2175.8169.6-100.1000111.2L84 L97 K98 Q103 V104 C105 V111 I116 W143L84-Y101 HydrophobicContact CD1-CD2 4.18Å; L97-Y101 PolarHBondContact O-N 3.12Å; K98-Y101 PolarHBondContact O-N 3.21Å; Y101-Q103 VanDerWaalsContact C-N 3.26Å; Y101-Q103 PolarHBondContact O-N 3.28Å; Y101-V104 WeakPolarHBondContact O-CB 3.31Å; Y101-V104 PolarHBondContact O-N 2.8Å; Y101-V104 VanDerWaalsContact O-N 3.07Å; Y101-C105 VanDerWaalsContact CE2-SG 3.59Å; Y101-C105 PolarHBondContact O-N 3.36Å; Y101-C105 PolarHBondContact O-SG 3Å; Y101-V111 HydrophobicContact CE2-CG1 4.34Å; Y101-I116 HydrophobicContact CD2-CD1 4.24Å; Y101-I116 HydrophobicContact CE2-CD1 4.05Å; Y101-W143 HydrophobicContact CD1-CB 4.46Å; Y101-W143 AromaticContact CD1-CD2 3.72Å; Y101-W143 HydrophobicContact CD1-CD2 3.72Å; Y101-W143 AromaticContact CD1-CE2 3.95Å; Y101-W143 HydrophobicContact CD1-CE3 4.14Å; Y101-W143 AromaticContact CD1-CG 3.85Å; Y101-W143 HydrophobicContact CD1-CG 3.85Å; Y101-W143 HydrophobicContact CD2-CB 4.27Å; Y101-W143 HydrophobicContact CD2-CD2 4.04Å; Y101-W143 AromaticContact CD2-CE3 3.76Å; Y101-W143 HydrophobicContact CD2-CE3 3.76Å; Y101-W143 HydrophobicContact CD2-CG 4.28Å; Y101-W143 HydrophobicContact CD2-CZ3 4.46Å; Y101-W143 HydrophobicContact CE1-CB 3.95Å; Y101-W143 AromaticContact CE1-CD1 3.82Å; Y101-W143 HydrophobicContact CE1-CD2 4.07Å; Y101-W143 AromaticContact CE1-CG 3.67Å; Y101-W143 HydrophobicContact CE1-CG 3.67Å; Y101-W143 HydrophobicContact CE2-CB 3.73Å; Y101-W143 HydrophobicContact CE2-CD2 4.37Å; Y101-W143 HydrophobicContact CE2-CE3 4.39Å; Y101-W143 HydrophobicContact CE2-CG 4.12Å; Y101-W143 AromaticContact CG-CD2 3.72Å; Y101-W143 HydrophobicContact CG-CD2 3.72Å; Y101-W143 AromaticContact CG-CE3 3.63Å; Y101-W143 HydrophobicContact CG-CE3 3.63Å; Y101-W143 HydrophobicContact CG-CG 4.17Å; Y101-W143 HydrophobicContact CG-CZ3 4.08Å; Y101-W143 AromaticContact CZ-CG 3.83Å; Y101-W143 PolarHBondContact OH-O 2.96Å
102E95.4Very high92.1Very high103 Ų10363.4 Ų63.448%0.48132%0.32SS..Hα-helixtrans-58-38.9178-72.2172.4173.200112.1K98 C105 Q106K98-E102 WeakPolarHBondContact CE-OE1 3.38Å; K98-E102 IonicContact NZ-OE1 3.59Å; K98-E102 WeakPolarHBondContact O-CG 3.33Å; K98-E102 PolarHBondContact O-N 3.41Å; E102-C105 WeakPolarHBondContact O-CB 3.23Å; E102-C105 PolarHBondContact O-N 2.83Å; E102-Q106 WeakPolarHBondContact O-CB 3.4Å; E102-Q106 PolarHBondContact O-N 3.35Å
103Q95.2Very high91Very high27 Ų2760.2 Ų60.213%0.12631%0.309CS..Hα-helixtrans-69.8-36.1176.4-168.8175.3-50.200112.8I76 P99 I100 Y101 Q106 I107I76-Q103 HydrophobicContact CD1-CB 4.15Å; I76-Q103 HydrophobicContact CD1-CG 3.81Å; P99-Q103 WeakPolarHBondContact O-CB 3.42Å; P99-Q103 PolarHBondContact O-N 3.02Å; I100-Q103 PolarHBondContact O-N 2.93Å; Y101-Q103 VanDerWaalsContact C-N 3.26Å; Y101-Q103 PolarHBondContact O-N 3.28Å; Q103-Q106 PolarHBondContact O-N 3.39Å; Q103-I107 HydrophobicContact CG-CD1 3.87Å; Q103-I107 WeakPolarHBondContact O-CG1 3.39Å; Q103-I107 PolarHBondContact O-N 2.95Å; Q103-I107 VanDerWaalsContact O-N 3.09Å
104V95.6Very high90.7Very high2 Ų260.5 Ų60.51%0.01231%0.311CS..Hα-helixtrans-60.2-49.2171.6170.90000109.9I76 F82 I100 Y101 Q106 I107 K108 I116I76-V104 HydrophobicContact CD1-CG2 3.87Å; I76-V104 HydrophobicContact CG1-CG2 3.95Å; I76-V104 HydrophobicContact CG2-CB 4.45Å; I76-V104 HydrophobicContact CG2-CG2 4.16Å; F82-V104 HydrophobicContact CD1-CG2 4.25Å; F82-V104 HydrophobicContact CD2-CG1 3.53Å; F82-V104 HydrophobicContact CD2-CG2 4.35Å; F82-V104 HydrophobicContact CE2-CG1 3.69Å; F82-V104 HydrophobicContact CG-CG1 4.14Å; F82-V104 HydrophobicContact CG-CG2 4.18Å; F82-V104 HydrophobicContact CZ-CG1 4.43Å; I100-V104 WeakPolarHBondContact O-CG2 3.48Å; I100-V104 PolarHBondContact O-N 3.3Å; Y101-V104 WeakPolarHBondContact O-CB 3.31Å; Y101-V104 PolarHBondContact O-N 2.8Å; Y101-V104 VanDerWaalsContact O-N 3.07Å; V104-Q106 VanDerWaalsContact C-N 3.35Å; V104-Q106 PolarHBondContact O-N 3.38Å; V104-I107 PolarHBondContact O-N 2.89Å; V104-K108 HydrophobicContact CG1-CG 4.29Å; V104-K108 WeakPolarHBondContact O-CB 3.37Å; V104-K108 WeakPolarHBondContact O-CG 3.48Å; V104-K108 PolarHBondContact O-N 2.77Å; V104-I116 HydrophobicContact CG1-CD1 3.71Å; V104-I116 HydrophobicContact CG1-CG1 4.39Å
105C94.3Very high90.6Very high25 Ų2560.1 Ų60.117%0.16931%0.309CS..Hα-helixtrans-57.9-46.9177.4-58.10000111.6Y101 E102 I107 G109 V111Y101-C105 VanDerWaalsContact CE2-SG 3.59Å; Y101-C105 PolarHBondContact O-N 3.36Å; Y101-C105 PolarHBondContact O-SG 3Å; E102-C105 WeakPolarHBondContact O-CB 3.23Å; E102-C105 PolarHBondContact O-N 2.83Å; C105-I107 VanDerWaalsContact C-N 3.34Å; C105-I107 PolarHBondContact O-N 3.02Å; C105-G109 WeakPolarHBondContact O-CA 3.49Å; C105-G109 PolarHBondContact O-N 2.97Å; C105-V111 HydrophobicContact CB-CG2 3.71Å; C105-V111 WeakPolarHBondContact SG-CG2 3.4Å
106Q94.4Very high90.6Very high142 Ų14254.5 Ų54.566%0.66428%0.283SS*.Hα-helixtrans-60.4-41.8-179.8-171.6-17626.700112.6E102 Q103 V104E102-Q106 WeakPolarHBondContact O-CB 3.4Å; E102-Q106 PolarHBondContact O-N 3.35Å; Q103-Q106 PolarHBondContact O-N 3.39Å; V104-Q106 VanDerWaalsContact C-N 3.35Å; V104-Q106 PolarHBondContact O-N 3.38Å
107I95.3Very high90.7Very high57 Ų5751.6 Ų51.629%0.29227%0.269SS..Hα-helixtrans-83-33.8-174.6-66.5170.6000111.8R73 I76 Q103 V104 C105R73-I107 HydrophobicContact CB-CD1 4.15Å; R73-I107 HydrophobicContact CG-CD1 4.03Å; I76-I107 HydrophobicContact CB-CD1 4Å; I76-I107 HydrophobicContact CD1-CD1 4.26Å; I76-I107 HydrophobicContact CG2-CB 3.7Å; I76-I107 HydrophobicContact CG2-CD1 3.83Å; I76-I107 HydrophobicContact CG2-CG1 4.33Å; I76-I107 HydrophobicContact CG2-CG2 3.76Å; Q103-I107 HydrophobicContact CG-CD1 3.87Å; Q103-I107 WeakPolarHBondContact O-CG1 3.39Å; Q103-I107 PolarHBondContact O-N 2.95Å; Q103-I107 VanDerWaalsContact O-N 3.09Å; V104-I107 PolarHBondContact O-N 2.89Å; C105-I107 VanDerWaalsContact C-N 3.34Å; C105-I107 PolarHBondContact O-N 3.02Å
108K92.8Very high90.7Very high62 Ų6251.6 Ų51.627%0.2727%0.269SS..Hα-helixtrans-88.9-18.4-179-65.1-63.8179.2-169.30113.9I76 S77 G79 F82 V104 E110 C114I76-K108 WeakPolarHBondContact O-CE 3.31Å; I76-K108 PolarHBondContact O-NZ 3.47Å; S77-K108 PolarHBondContact O-NZ 2.91Å; G79-K108 WeakPolarHBondContact O-CE 3.09Å; G79-K108 PolarHBondContact O-NZ 3.42Å; F82-K108 HydrophobicContact CE2-CD 4.38Å; F82-K108 HydrophobicContact CE2-CG 4.02Å; V104-K108 HydrophobicContact CG1-CG 4.29Å; V104-K108 WeakPolarHBondContact O-CB 3.37Å; V104-K108 WeakPolarHBondContact O-CG 3.48Å; V104-K108 PolarHBondContact O-N 2.77Å; K108-E110 PolarHBondContact O-N 3.46Å; K108-C114 HydrophobicContact CB-CB 4.41Å
109G84.8Confident90.8Very high50 Ų5046.4 Ų46.452%0.51525%0.247SC..SBendtrans76.6-101.6-17500000110.9C105 V111C105-G109 WeakPolarHBondContact O-CA 3.49Å; C105-G109 PolarHBondContact O-N 2.97Å; G109-V111 PolarHBondContact O-N 2.9Å; G109-V111 VanDerWaalsContact O-N 3.12Å
110E75.8Confident91Very high140 Ų14042.8 Ų42.865%0.65422%0.223SC*.  trans-78.398.2-173.7-67.9179.1-16800112.4K108 E112 T113K108-E110 PolarHBondContact O-N 3.46Å; E110-E112 PolarHBondContact O-N 3.26Å; E110-E112 VanDerWaalsContact O-N 3.16Å; E110-T113 HydrophobicContact CB-CG2 4.07Å; E110-T113 PolarHBondContact O-N 3.38Å; E110-T113 PolarHBondContact O-OG1 3.09Å
111V67.8Low91.1Very high29 Ų2941.7 Ų41.718%0.17622%0.218CC..G310 helixtrans-52.5-35.4176.7-173.20000112.4Y101 C105 G109 T113 C114 I116Y101-V111 HydrophobicContact CE2-CG1 4.34Å; C105-V111 HydrophobicContact CB-CG2 3.71Å; C105-V111 WeakPolarHBondContact SG-CG2 3.4Å; G109-V111 PolarHBondContact O-N 2.9Å; G109-V111 VanDerWaalsContact O-N 3.12Å; V111-T113 PolarHBondContact O-N 3.3Å; V111-C114 PolarHBondContact O-N 2.9Å; V111-C114 VanDerWaalsContact O-O 3.05Å; V111-I116 HydrophobicContact CG1-CD1 3.89Å
112E70.8Confident91.2Very high125 Ų12542.9 Ų42.958%0.58422%0.223SC*.G310 helixtrans-66.2-11.9-177.8-60.2-175.1179.500113.9E110 K144 K170E110-E112 PolarHBondContact O-N 3.26Å; E110-E112 VanDerWaalsContact O-N 3.16Å; E112-K144 IonicContact OE1-NZ 2.78Å; E112-K144 PolarHBondContact OE1-NZ 2.9Å; E112-K170 PolarHBondContact O-NZ 3.22Å; E112-K170 VanDerWaalsContact O-NZ 3.11Å
113T76.6Confident91.4Very high56 Ų5638.9 Ų38.934%0.34421%0.206SC..G310 helixtrans-105.7-11.717671.50000113.4E110 V111E110-T113 HydrophobicContact CB-CG2 4.07Å; E110-T113 PolarHBondContact O-N 3.38Å; E110-T113 PolarHBondContact O-OG1 3.09Å; V111-T113 PolarHBondContact O-N 3.3Å
114C91Very high91.5Very high11 Ų1140 Ų407%0.07421%0.213CC..SBendtrans-106116.8-177.8-172.30000110F82 K108 V111 I116F82-C114 VanDerWaalsContact CD2-SG 3.59Å; F82-C114 WeakPolarHBondContact CE2-SG 3.07Å; K108-C114 HydrophobicContact CB-CB 4.41Å; V111-C114 PolarHBondContact O-N 2.9Å; V111-C114 VanDerWaalsContact O-O 3.05Å; C114-I116 PolarHBondContact O-N 3.47Å; C114-I116 VanDerWaalsContact O-N 3.13Å
115P96.1Very high91.6Very high4 Ų443.3 Ų43.33%0.02623%0.229CC..  trans-61.6118.4177.2-26.436.9000111.6A81 F82 L165 L168 E169A81-P115 CarbonylContact C-O 3.57Å; A81-P115 WeakPolarHBondContact CA-O 3.43Å; A81-P115 HydrophobicContact CB-CB 3.78Å; A81-P115 HydrophobicContact CB-CG 4.29Å; F82-P115 PolarHBondContact N-O 3.39Å; P115-L165 HydrophobicContact CB-CD1 3.99Å; P115-L165 HydrophobicContact CB-CG 4.49Å; P115-L168 HydrophobicContact CB-CB 3.87Å; P115-L168 HydrophobicContact CG-CB 4.17Å; P115-E169 HydrophobicContact CG-CB 4.13Å
116I97.7Very high91.7Very high6 Ų647.3 Ų47.33%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-127.9128.4173.5-56.4177.6000108.2F82 L84 Y101 V104 V111 C114 C145 A146F82-I116 HydrophobicContact CB-CG1 4.37Å; F82-I116 HydrophobicContact CD2-CG1 4.35Å; F82-I116 WeakPolarHBondContact O-CA 3.27Å; L84-I116 HydrophobicContact CD1-CG2 3.9Å; L84-I116 HydrophobicContact CG-CG2 4.11Å; Y101-I116 HydrophobicContact CD2-CD1 4.24Å; Y101-I116 HydrophobicContact CE2-CD1 4.05Å; V104-I116 HydrophobicContact CG1-CD1 3.71Å; V104-I116 HydrophobicContact CG1-CG1 4.39Å; V111-I116 HydrophobicContact CG1-CD1 3.89Å; C114-I116 PolarHBondContact O-N 3.47Å; C114-I116 VanDerWaalsContact O-N 3.13Å; I116-C145 HydrophobicContact CB-CB 3.9Å; I116-C145 HydrophobicContact CG2-CB 3.91Å; I116-C145 WeakPolarHBondContact O-CB 3.37Å; I116-A146 PolarHBondContact O-N 2.8Å; I116-A146 VanDerWaalsContact O-N 3.08Å
117M98.5Very high91.8Very high4 Ų446.4 Ų46.42%0.0226%0.262CS..EExtended strand (participates in β ladder)trans-117.9120172.5-177.175.267.500110F82 I83 L84 V119 A146 M148 L161 E164 L165 L168F82-M117 PolarHBondContact O-N 3.05Å; I83-M117 WeakPolarHBondContact CA-O 3.35Å; L84-M117 PolarHBondContact N-O 3.27Å; M117-V119 HydrophobicContact CB-CG2 4.47Å; M117-V119 HydrophobicContact CG-CG2 3.65Å; M117-A146 HydrophobicContact CE-CB 3.67Å; M117-A146 VanDerWaalsContact SD-C 3.56Å; M117-A146 HydrophobicContact SD-CB 3.5Å; M117-A146 VanDerWaalsContact SD-CB 3.5Å; M117-M148 HydrophobicContact SD-CB 4.07Å; M117-L161 HydrophobicContact CB-CD1 4.24Å; M117-L161 HydrophobicContact CG-CD1 3.49Å; M117-L161 VanDerWaalsContact CG-CD1 3.49Å; M117-E164 HydrophobicContact CE-CB 3.88Å; M117-L165 HydrophobicContact CB-CD1 3.8Å; M117-L168 HydrophobicContact CE-CD1 4.42Å
118L98.8Very high91.9Very high0 Ų045.8 Ų45.80%027%0.266CS..EExtended strand (participates in β ladder)trans-80130.4165.3-179.265.3000109.2L84 Y86 L94 L97 T139 W143 A146 F147 M148L84-L118 HydrophobicContact CB-CD1 4.34Å; Y86-L118 HydrophobicContact CD1-CD1 3.91Å; Y86-L118 HydrophobicContact CD1-CG 4.38Å; Y86-L118 HydrophobicContact CE1-CD1 4.11Å; Y86-L118 HydrophobicContact CE1-CD2 4.48Å; Y86-L118 HydrophobicContact CE1-CG 4.09Å; L94-L118 HydrophobicContact CD1-CD1 4.03Å; L94-L118 HydrophobicContact CD1-CD2 4.34Å; L97-L118 HydrophobicContact CD1-CD1 3.61Å; L118-T139 HydrophobicContact CD2-CG2 3.94Å; L118-W143 HydrophobicContact CD1-CZ3 4.18Å; L118-A146 PolarHBondContact N-O 3.43Å; L118-F147 HydrophobicContact CB-CD2 4.24Å; L118-F147 HydrophobicContact CD2-CD2 4.1Å; L118-F147 HydrophobicContact CG-CD2 4.05Å; L118-F147 WeakPolarHBondContact O-CA 3.47Å; L118-F147 WeakPolarHBondContact O-CD2 3.49Å; L118-M148 PolarHBondContact O-N 2.85Å; L118-M148 VanDerWaalsContact O-N 3.09Å
119V98.9Very high92.1Very high0 Ų045.2 Ų45.20%026%0.262CS..EExtended strand (participates in β ladder)trans-127.5115.2-174.2-178.40000111.3L23 I83 L84 V85 Y86 M117 N121 M148 T150 L161L23-V119 HydrophobicContact CD1-CG1 4.14Å; I83-V119 HydrophobicContact CG2-CB 4.35Å; I83-V119 HydrophobicContact CG2-CG2 3.57Å; L84-V119 PolarHBondContact O-N 3.04Å; V85-V119 WeakPolarHBondContact CA-O 3.43Å; V85-V119 HydrophobicContact CG2-CB 4.35Å; Y86-V119 WeakPolarHBondContact CD1-O 3.1Å; Y86-V119 PolarHBondContact N-O 3.07Å; M117-V119 HydrophobicContact CB-CG2 4.47Å; M117-V119 HydrophobicContact CG-CG2 3.65Å; V119-N121 PolarHBondContact O-N 3.44Å; V119-M148 WeakPolarHBondContact CA-O 3.4Å; V119-T150 HydrophobicContact CG1-CG2 3.78Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.38Å; V119-L161 HydrophobicContact CG1-CD2 4.37Å; V119-L161 HydrophobicContact CG2-CD1 3.45Å; V119-L161 VanDerWaalsContact CG2-CD1 3.45Å; V119-L161 HydrophobicContact CG2-CD2 4.09Å; V119-L161 HydrophobicContact CG2-CG 4.43Å
120G98.8Very high92.8Very high0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-8696.6167.100000110M148 E149 T150G120-M148 PolarHBondContact N-O 2.99Å; G120-E149 CarbonylContact O-C 3.35Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.5Å; G120-T150 PolarHBondContact O-N 2.81Å
121N98.8Very high93.9Very high3 Ų341.4 Ų41.42%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-87.5163.9-179.9-172.337.7000111.7V18 L23 V85 Y86 V88 V119 T150 A152V18-N121 PolarHBondContact O-ND2 3.29Å; L23-N121 HydrophobicContact CD1-CB 4.21Å; V85-N121 HydrophobicContact CG1-CB 3.81Å; Y86-N121 PolarHBondContact O-N 3Å; V88-N121 PolarHBondContact N-O 3.47Å; V119-N121 PolarHBondContact O-N 3.44Å; N121-T150 CarbonylContact C-O 3.54Å; N121-T150 VanDerWaalsContact CA-O 3.31Å; N121-T150 WeakPolarHBondContact CA-O 3.3Å; N121-T150 PolarHBondContact OD1-O 3.32Å; N121-T150 PolarHBondContact OD1-OG1 3.32Å; N121-A152 PolarHBondContact OD1-N 3.1Å
122K98.4Very high95.3Very high54 Ų5444.9 Ų44.924%0.23525%0.245CC..  trans66.434-176.3-42.3-168.4-164.1176.70113.4G17 S87 V88 D124 E125 T150G17-K122 VanDerWaalsContact O-CE 3.27Å; G17-K122 WeakPolarHBondContact O-CE 3.38Å; G17-K122 PolarHBondContact O-NZ 3.03Å; S87-K122 WeakPolarHBondContact OG-CD 3.31Å; V88-K122 WeakPolarHBondContact CG2-O 3.43Å; K122-D124 WeakPolarHBondContact CA-OD1 3.12Å; K122-D124 PolarHBondContact O-N 3.5Å; K122-E125 HydrophobicContact CB-CG 4.3Å; K122-E125 WeakPolarHBondContact CD-OE1 3.49Å; K122-E125 PolarHBondContact O-N 2.81Å; K122-T150 PolarHBondContact N-O 2.82Å
123C98.5Very high96.6Very high19 Ų1942 Ų4213%0.12824%0.236CC..THydrogen-bonded Turntrans-61-13.7178.570.50000113.8E125 E149 T150C123-E125 VanDerWaalsContact C-N 3.31Å; C123-E149 HydrophobicContact CB-CB 4.01Å; C123-E149 VanDerWaalsContact CB-OE2 3.3Å; C123-E149 WeakPolarHBondContact CB-OE2 3.18Å; C123-T150 PolarHBondContact N-O 2.93Å; C123-T150 VanDerWaalsContact N-O 3.11Å; C123-T150 PolarHBondContact SG-O 3.08Å
124D98.2Very high97.7Very high51 Ų5144 Ų4427%0.27325%0.248SC..THydrogen-bonded Turntrans-70.8-19.7171.258.4-73.4000114.1K122 T126 S151 K153 T154K122-D124 WeakPolarHBondContact CA-OD1 3.12Å; K122-D124 PolarHBondContact O-N 3.5Å; D124-T126 VanDerWaalsContact C-N 3.3Å; D124-T126 PolarHBondContact O-N 3.05Å; D124-S151 VanDerWaalsContact CG-OG 3.23Å; D124-S151 WeakPolarHBondContact OD1-CB 3.33Å; D124-S151 PolarHBondContact OD1-OG 3.38Å; D124-K153 WeakPolarHBondContact OD2-CD 3.28Å; D124-T154 HydrophobicContact CB-CG2 3.91Å
125E97.2Very high98Very high71 Ų7145.7 Ų45.733%0.33226%0.257SS..  trans-85.962.7-179.7-64.2-173.3-148.200112T89 K122 C123 S127 A128 R129T89-E125 HydrophobicContact CG2-CB 3.61Å; T89-E125 HydrophobicContact CG2-CG 4.44Å; K122-E125 HydrophobicContact CB-CG 4.3Å; K122-E125 WeakPolarHBondContact CD-OE1 3.49Å; K122-E125 PolarHBondContact O-N 2.81Å; C123-E125 VanDerWaalsContact C-N 3.31Å; E125-S127 VanDerWaalsContact C-N 3.33Å; E125-S127 PolarHBondContact O-N 3.16Å; E125-A128 PolarHBondContact O-N 2.83Å; E125-R129 PolarHBondContact O-N 3.26Å
126T96.3Very high98.1Very high109 Ų10945.5 Ų45.567%0.66926%0.255SS*.G310 helixtrans-63.1-33.6-173.558.30000114.1D124 A128D124-T126 VanDerWaalsContact C-N 3.3Å; D124-T126 PolarHBondContact O-N 3.05Å; T126-A128 VanDerWaalsContact C-N 3.33Å
127S97.2Very high98.1Very high123 Ų12348.1 Ų48.186%0.8627%0.269SS*.G310 helixtrans-74.5-22.5-17857.70000114E125E125-S127 VanDerWaalsContact C-N 3.33Å; E125-S127 PolarHBondContact O-N 3.16Å
128A96.6Very high98.2Very high45 Ų4550.7 Ų50.737%0.37229%0.291SS..G310 helixtrans-107.711.8-178.900000112T89 E125 T126 E130T89-A128 VanDerWaalsContact CA-O 3.25Å; T89-A128 WeakPolarHBondContact CA-O 3.48Å; T89-A128 VanDerWaalsContact CB-O 3.28Å; T89-A128 WeakPolarHBondContact CB-O 3.45Å; T89-A128 HydrophobicContact CG2-CB 4Å; E125-A128 PolarHBondContact O-N 2.83Å; T126-A128 VanDerWaalsContact C-N 3.33Å; A128-E130 PolarHBondContact O-N 2.83Å
129R98.4Very high98.1Very high49 Ų4952 Ų5219%0.18530%0.299CS..  trans-65.6128.4-178.8-179.6176-74.2-98.110.9110.5E125 V131 E149E125-R129 PolarHBondContact O-N 3.26Å; R129-V131 WeakPolarHBondContact CD-O 3.31Å; R129-V131 VanDerWaalsContact CG-O 3.27Å; R129-V131 WeakPolarHBondContact CG-O 3.16Å; R129-V131 PolarHBondContact NH1-O 2.94Å; R129-E149 IonicContact CZ-OE1 2.81Å; R129-E149 IonicContact CZ-OE2 3.52Å; R129-E149 IonicContact NH1-OE1 3.97Å; R129-E149 PolarHBondContact NH1-OE1 3.06Å; R129-E149 IonicContact NH1-OE2 3.58Å; R129-E149 IonicContact NH2-OE1 3.64Å; R129-E149 IonicContact NH2-OE2 3.61Å; R129-E149 PolarHBondContact NH2-OE2 3.09Å
130E98.4Very high98.1Very high110 Ų11052.3 Ų52.351%0.51430%0.301SS..  trans-113.3-19.8174.3-63.6-174.6176.100112.5V88 S90 R91 A128V88-E130 PolarHBondContact O-N 3.08Å; S90-E130 VanDerWaalsContact CA-OE2 3.25Å; S90-E130 WeakPolarHBondContact CA-OE2 3.34Å; R91-E130 HydrophobicContact CB-CB 4.47Å; R91-E130 PolarHBondContact N-OE2 3.29Å; R91-E130 PolarHBondContact NH2-O 2.84Å; A128-E130 PolarHBondContact O-N 2.83Å
131V98.4Very high98Very high0 Ų059 Ų590%033%0.33CS..SBendtrans-119.8116-178.2-174.40000108.7Y86 V88 R91 L94 R129 D135Y86-V131 HydrophobicContact CE2-CB 3.95Å; Y86-V131 HydrophobicContact CE2-CG1 3.68Å; Y86-V131 HydrophobicContact CE2-CG2 4.26Å; V88-V131 PolarHBondContact O-N 2.89Å; R91-V131 HydrophobicContact CB-CG2 4.01Å; L94-V131 HydrophobicContact CD2-CG1 3.88Å; R129-V131 WeakPolarHBondContact CD-O 3.31Å; R129-V131 VanDerWaalsContact CG-O 3.27Å; R129-V131 WeakPolarHBondContact CG-O 3.16Å; R129-V131 PolarHBondContact NH1-O 2.94Å; V131-D135 HydrophobicContact CG1-CB 3.73Å
132E98.4Very high97.9Very high102 Ų10266.9 Ų66.948%0.47736%0.364SS..  trans-74.3155.3176.8-68.6-55.513600110.8T134 D135 G136E132-T134 PolarHBondContact O-N 3.11Å; E132-D135 PolarHBondContact N-OD2 3.13Å; E132-D135 WeakPolarHBondContact O-CB 3.25Å; E132-D135 PolarHBondContact O-N 3.05Å; E132-G136 PolarHBondContact O-N 3.06Å
133T98.3Very high97.8Very high64 Ų6465.3 Ų65.339%0.39336%0.357SS..Hα-helixtrans-58.1-32.6177.4-52.60000111.6D135 G136 D137 F147 E149T133-D135 VanDerWaalsContact C-N 3.33Å; T133-D135 PolarHBondContact O-N 3.16Å; T133-G136 PolarHBondContact O-N 2.85Å; T133-D137 WeakPolarHBondContact O-CB 3.34Å; T133-D137 PolarHBondContact O-N 3.24Å; T133-F147 HydrophobicContact CG2-CE1 3.92Å; T133-F147 HydrophobicContact CG2-CZ 4.37Å; T133-E149 WeakPolarHBondContact CA-OE1 3.45Å; T133-E149 WeakPolarHBondContact CB-OE1 3.4Å; T133-E149 HydrophobicContact CG2-CG 4.39Å; T133-E149 VanDerWaalsContact OG1-CD 3.3Å; T133-E149 PolarHBondContact OG1-OE1 2.91Å
134T98.4Very high97.6Very high98 Ų9871.3 Ų71.360%0.60138%0.381SS*.Hα-helixtrans-64.8-32.1175.448.50000113.2E132 A138E132-T134 PolarHBondContact O-N 3.11Å; T134-A138 VanDerWaalsContact O-CB 3.24Å; T134-A138 WeakPolarHBondContact O-CB 3.27Å; T134-A138 PolarHBondContact O-N 2.83Å
135D98.1Very high97.5Very high48 Ų4869.9 Ų69.926%0.25737%0.374SS..Hα-helixtrans-69.2-42.4176.3-67.5-39.9000111R91 V131 E132 T133 T139R91-D135 IonicContact CZ-OD2 3.66Å; R91-D135 IonicContact NH1-OD2 3.67Å; R91-D135 IonicContact NH2-OD2 2.75Å; R91-D135 PolarHBondContact NH2-OD2 2.99Å; V131-D135 HydrophobicContact CG1-CB 3.73Å; E132-D135 PolarHBondContact N-OD2 3.13Å; E132-D135 WeakPolarHBondContact O-CB 3.25Å; E132-D135 PolarHBondContact O-N 3.05Å; T133-D135 VanDerWaalsContact C-N 3.33Å; T133-D135 PolarHBondContact O-N 3.16Å; D135-T139 WeakPolarHBondContact O-CB 3.34Å; D135-T139 PolarHBondContact O-N 3.12Å; D135-T139 PolarHBondContact O-OG1 3.4Å
136G98.1Very high97.5Very high0 Ų067.8 Ų67.80%037%0.369CS..Hα-helixtrans-63.5-45.1175.400000112.2E132 T133 T139 S140E132-G136 PolarHBondContact O-N 3.06Å; T133-G136 PolarHBondContact O-N 2.85Å; G136-T139 PolarHBondContact O-N 3.29Å; G136-S140 PolarHBondContact O-N 2.93Å; G136-S140 PolarHBondContact O-OG 3.45Å
137D98.4Very high97.6Very high61 Ų6164.7 Ų64.733%0.32635%0.347SS..Hα-helixtrans-64.3-42.6175.5178.171.5000112.8T133 T139 S140 K141 F147T133-D137 WeakPolarHBondContact O-CB 3.34Å; T133-D137 PolarHBondContact O-N 3.24Å; D137-T139 VanDerWaalsContact C-N 3.31Å; D137-T139 PolarHBondContact O-N 3.04Å; D137-S140 PolarHBondContact O-N 2.98Å; D137-S140 PolarHBondContact O-OG 3.27Å; D137-K141 WeakPolarHBondContact O-CB 3.39Å; D137-K141 WeakPolarHBondContact O-CG 3.16Å; D137-K141 PolarHBondContact O-N 2.93Å; D137-K141 WeakPolarHBondContact OD1-CE 3.47Å; D137-K141 IonicContact OD1-NZ 3.64Å; D137-K141 WeakPolarHBondContact OD2-CE 3.33Å; D137-K141 IonicContact OD2-NZ 2.63Å; D137-K141 PolarHBondContact OD2-NZ 3.33Å; D137-F147 HydrophobicContact CB-CD1 4.12Å; D137-F147 HydrophobicContact CB-CE1 4.27Å
138A98.6Very high97.7Very high57 Ų5760.3 Ų60.347%0.47131%0.313SS..Hα-helixtrans-62.7-40.2174.700000111.6T134 K142T134-A138 VanDerWaalsContact O-CB 3.24Å; T134-A138 WeakPolarHBondContact O-CB 3.27Å; T134-A138 PolarHBondContact O-N 2.83Å; A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 2.52Å; A138-K142 VanDerWaalsContact O-N 3.08Å
139T98.4Very high97.8Very high29 Ų2959.4 Ų59.418%0.17830%0.301CS..Hα-helixtrans-65.9-45.1177.8-58.40000111.4L94 L118 D135 G136 D137 K141 K142 W143L94-T139 HydrophobicContact CD1-CG2 4.3Å; L118-T139 HydrophobicContact CD2-CG2 3.94Å; D135-T139 WeakPolarHBondContact O-CB 3.34Å; D135-T139 PolarHBondContact O-N 3.12Å; D135-T139 PolarHBondContact O-OG1 3.4Å; G136-T139 PolarHBondContact O-N 3.29Å; D137-T139 VanDerWaalsContact C-N 3.31Å; D137-T139 PolarHBondContact O-N 3.04Å; T139-K141 PolarHBondContact O-N 2.87Å; T139-K142 WeakPolarHBondContact O-CB 3.48Å; T139-K142 PolarHBondContact O-N 3.11Å; T139-W143 HydrophobicContact CG2-CD2 3.91Å; T139-W143 HydrophobicContact CG2-CE3 4.21Å; T139-W143 HydrophobicContact CG2-CG 4.43Å; T139-W143 HydrophobicContact CG2-CH2 4.16Å; T139-W143 HydrophobicContact CG2-CZ2 3.86Å; T139-W143 HydrophobicContact CG2-CZ3 4.33Å; T139-W143 WeakPolarHBondContact O-CB 3.26Å; T139-W143 PolarHBondContact O-N 3.12Å
140S97.6Very high97.8Very high5 Ų557.1 Ų57.14%0.03529%0.292CS..Hα-helixtrans-65.8-38.9-179.970.60000112.6G136 D137 K142 W143 K144 C145 F147G136-S140 PolarHBondContact O-N 2.93Å; G136-S140 PolarHBondContact O-OG 3.45Å; D137-S140 PolarHBondContact O-N 2.98Å; D137-S140 PolarHBondContact O-OG 3.27Å; S140-K142 PolarHBondContact O-N 3.31Å; S140-W143 CarbonylContact O-C 3.51Å; S140-W143 PolarHBondContact O-N 3.43Å; S140-K144 WeakPolarHBondContact O-CA 3.49Å; S140-K144 PolarHBondContact O-N 3.07Å; S140-C145 WeakPolarHBondContact CB-O 3.43Å; S140-C145 PolarHBondContact O-N 2.91Å; S140-F147 WeakPolarHBondContact OG-CB 3.27Å
141K97.4Very high97.8Very high140 Ų14051.9 Ų51.961%0.60927%0.268SS*.Hα-helixtrans-59.8-45.3171.8-74.8169.6178.8166.80111.7D137 T139 W143 K144D137-K141 WeakPolarHBondContact O-CB 3.39Å; D137-K141 WeakPolarHBondContact O-CG 3.16Å; D137-K141 PolarHBondContact O-N 2.93Å; D137-K141 WeakPolarHBondContact OD1-CE 3.47Å; D137-K141 IonicContact OD1-NZ 3.64Å; D137-K141 WeakPolarHBondContact OD2-CE 3.33Å; D137-K141 IonicContact OD2-NZ 2.63Å; D137-K141 PolarHBondContact OD2-NZ 3.33Å; T139-K141 PolarHBondContact O-N 2.87Å; K141-W143 VanDerWaalsContact C-N 3.28Å; K141-W143 PolarHBondContact O-N 2.87Å; K141-K144 PolarHBondContact O-N 2.87Å
142K96.6Very high97.8Very high169 Ų16952 Ų5274%0.73527%0.269SS*.Hα-helixtrans-62-37.4175.8-176.4178.8-179.7175.60111.9A138 T139 S140 K144A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 2.52Å; A138-K142 VanDerWaalsContact O-N 3.08Å; T139-K142 WeakPolarHBondContact O-CB 3.48Å; T139-K142 PolarHBondContact O-N 3.11Å; S140-K142 PolarHBondContact O-N 3.31Å; K142-K144 VanDerWaalsContact C-N 3.33Å
143W95.9Very high97.8Very high21 Ų2152 Ų528%0.0827%0.267CS..THydrogen-bonded Turntrans-88.21.1178.9-68.24.2000113.4L84 L97 K98 Y101 L118 T139 S140 K141 C145L84-W143 HydrophobicContact CD1-CE3 4.38Å; L84-W143 HydrophobicContact CD1-CZ3 4.02Å; L97-W143 HydrophobicContact CB-CH2 3.77Å; L97-W143 HydrophobicContact CB-CZ3 4.09Å; K98-W143 HydrophobicContact CB-CH2 4.33Å; K98-W143 HydrophobicContact CB-CZ2 3.83Å; K98-W143 HydrophobicContact CG-CZ2 4.25Å; Y101-W143 HydrophobicContact CD1-CB 4.46Å; Y101-W143 AromaticContact CD1-CD2 3.72Å; Y101-W143 HydrophobicContact CD1-CD2 3.72Å; Y101-W143 AromaticContact CD1-CE2 3.95Å; Y101-W143 HydrophobicContact CD1-CE3 4.14Å; Y101-W143 AromaticContact CD1-CG 3.85Å; Y101-W143 HydrophobicContact CD1-CG 3.85Å; Y101-W143 HydrophobicContact CD2-CB 4.27Å; Y101-W143 HydrophobicContact CD2-CD2 4.04Å; Y101-W143 AromaticContact CD2-CE3 3.76Å; Y101-W143 HydrophobicContact CD2-CE3 3.76Å; Y101-W143 HydrophobicContact CD2-CG 4.28Å; Y101-W143 HydrophobicContact CD2-CZ3 4.46Å; Y101-W143 HydrophobicContact CE1-CB 3.95Å; Y101-W143 AromaticContact CE1-CD1 3.82Å; Y101-W143 HydrophobicContact CE1-CD2 4.07Å; Y101-W143 AromaticContact CE1-CG 3.67Å; Y101-W143 HydrophobicContact CE1-CG 3.67Å; Y101-W143 HydrophobicContact CE2-CB 3.73Å; Y101-W143 HydrophobicContact CE2-CD2 4.37Å; Y101-W143 HydrophobicContact CE2-CE3 4.39Å; Y101-W143 HydrophobicContact CE2-CG 4.12Å; Y101-W143 AromaticContact CG-CD2 3.72Å; Y101-W143 HydrophobicContact CG-CD2 3.72Å; Y101-W143 AromaticContact CG-CE3 3.63Å; Y101-W143 HydrophobicContact CG-CE3 3.63Å; Y101-W143 HydrophobicContact CG-CG 4.17Å; Y101-W143 HydrophobicContact CG-CZ3 4.08Å; Y101-W143 AromaticContact CZ-CG 3.83Å; Y101-W143 PolarHBondContact OH-O 2.96Å; L118-W143 HydrophobicContact CD1-CZ3 4.18Å; T139-W143 HydrophobicContact CG2-CD2 3.91Å; T139-W143 HydrophobicContact CG2-CE3 4.21Å; T139-W143 HydrophobicContact CG2-CG 4.43Å; T139-W143 HydrophobicContact CG2-CH2 4.16Å; T139-W143 HydrophobicContact CG2-CZ2 3.86Å; T139-W143 HydrophobicContact CG2-CZ3 4.33Å; T139-W143 WeakPolarHBondContact O-CB 3.26Å; T139-W143 PolarHBondContact O-N 3.12Å; S140-W143 CarbonylContact O-C 3.51Å; S140-W143 PolarHBondContact O-N 3.43Å; K141-W143 VanDerWaalsContact C-N 3.28Å; K141-W143 PolarHBondContact O-N 2.87Å; W143-C145 PolarHBondContact O-N 2.97Å; W143-C145 VanDerWaalsContact O-N 3.1Å
144K94.9Very high97.8Very high146 Ų14652.9 Ų52.964%0.63527%0.273SS*.THydrogen-bonded Turntrans47.438.4-175.7-57.6-180170.1-170.70113E112 S140 K141 K142E112-K144 IonicContact OE1-NZ 2.78Å; E112-K144 PolarHBondContact OE1-NZ 2.9Å; S140-K144 WeakPolarHBondContact O-CA 3.49Å; S140-K144 PolarHBondContact O-N 3.07Å; K141-K144 PolarHBondContact O-N 2.87Å; K142-K144 VanDerWaalsContact C-N 3.33Å
145C96.1Very high97.8Very high20 Ų2052.4 Ų52.414%0.13527%0.267CS..  trans-118.6167.4178.769.50000110.9I116 S140 W143I116-C145 HydrophobicContact CB-CB 3.9Å; I116-C145 HydrophobicContact CG2-CB 3.91Å; I116-C145 WeakPolarHBondContact O-CB 3.37Å; S140-C145 WeakPolarHBondContact CB-O 3.43Å; S140-C145 PolarHBondContact O-N 2.91Å; W143-C145 PolarHBondContact O-N 2.97Å; W143-C145 VanDerWaalsContact O-N 3.1Å
146A97.5Very high97.8Very high27 Ų2754.4 Ų54.422%0.22327%0.274CS..EExtended strand (participates in β ladder)trans-76.7158.8175.500000111I116 M117 L118 L168I116-A146 PolarHBondContact O-N 2.8Å; I116-A146 VanDerWaalsContact O-N 3.08Å; M117-A146 HydrophobicContact CE-CB 3.67Å; M117-A146 VanDerWaalsContact SD-C 3.56Å; M117-A146 HydrophobicContact SD-CB 3.5Å; M117-A146 VanDerWaalsContact SD-CB 3.5Å; L118-A146 PolarHBondContact N-O 3.43Å; A146-L168 HydrophobicContact CB-CD1 3.63Å
147F98.7Very high97.8Very high45 Ų4556.6 Ų56.620%0.19729%0.286CS..EExtended strand (participates in β ladder)trans-137142.4179173.2-118.2000112.1Y86 L118 T133 D137 S140 E149Y86-F147 HydrophobicContact CE1-CE2 4.22Å; L118-F147 HydrophobicContact CB-CD2 4.24Å; L118-F147 HydrophobicContact CD2-CD2 4.1Å; L118-F147 HydrophobicContact CG-CD2 4.05Å; L118-F147 WeakPolarHBondContact O-CA 3.47Å; L118-F147 WeakPolarHBondContact O-CD2 3.49Å; T133-F147 HydrophobicContact CG2-CE1 3.92Å; T133-F147 HydrophobicContact CG2-CZ 4.37Å; D137-F147 HydrophobicContact CB-CD1 4.12Å; D137-F147 HydrophobicContact CB-CE1 4.27Å; S140-F147 WeakPolarHBondContact OG-CB 3.27Å; F147-E149 HydrophobicContact CE1-CG 4.43Å; F147-E149 HydrophobicContact CE2-CG 4.44Å; F147-E149 HydrophobicContact CZ-CG 3.76Å
148M98.6Very high97.8Very high31 Ų3153.7 Ų53.715%0.15327%0.27CS..EExtended strand (participates in β ladder)trans-152.3139.8174-171.5172.5-74.300110.7M117 L118 V119 G120 T150 N157 E160 L161 E164M117-M148 HydrophobicContact SD-CB 4.07Å; L118-M148 PolarHBondContact O-N 2.85Å; L118-M148 VanDerWaalsContact O-N 3.09Å; V119-M148 WeakPolarHBondContact CA-O 3.4Å; G120-M148 PolarHBondContact N-O 2.99Å; M148-T150 HydrophobicContact CG-CG2 4.18Å; M148-T150 HydrophobicContact SD-CG2 4.4Å; M148-N157 HydrophobicContact CG-CB 4.05Å; M148-N157 HydrophobicContact SD-CB 3.74Å; M148-E160 HydrophobicContact CE-CB 4.16Å; M148-E160 HydrophobicContact SD-CB 4.12Å; M148-L161 HydrophobicContact SD-CB 4.03Å; M148-L161 PolarHBondContact SD-N 3.35Å; M148-E164 HydrophobicContact CE-CB 4.36Å; M148-E164 HydrophobicContact CE-CG 3.92Å
149E98.8Very high97.7Very high26 Ų2656.7 Ų56.712%0.12127%0.273CS..EExtended strand (participates in β ladder)trans-89.3142164-72-161178.300110.7G120 C123 R129 T133 F147 N157G120-E149 CarbonylContact O-C 3.35Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.5Å; C123-E149 HydrophobicContact CB-CB 4.01Å; C123-E149 VanDerWaalsContact CB-OE2 3.3Å; C123-E149 WeakPolarHBondContact CB-OE2 3.18Å; R129-E149 IonicContact CZ-OE1 2.81Å; R129-E149 IonicContact CZ-OE2 3.52Å; R129-E149 IonicContact NH1-OE1 3.97Å; R129-E149 PolarHBondContact NH1-OE1 3.06Å; R129-E149 IonicContact NH1-OE2 3.58Å; R129-E149 IonicContact NH2-OE1 3.64Å; R129-E149 IonicContact NH2-OE2 3.61Å; R129-E149 PolarHBondContact NH2-OE2 3.09Å; T133-E149 WeakPolarHBondContact CA-OE1 3.45Å; T133-E149 WeakPolarHBondContact CB-OE1 3.4Å; T133-E149 HydrophobicContact CG2-CG 4.39Å; T133-E149 VanDerWaalsContact OG1-CD 3.3Å; T133-E149 PolarHBondContact OG1-OE1 2.91Å; F147-E149 HydrophobicContact CE1-CG 4.43Å; F147-E149 HydrophobicContact CE2-CG 4.44Å; F147-E149 HydrophobicContact CZ-CG 3.76Å; E149-N157 VanDerWaalsContact O-CB 3.31Å; E149-N157 WeakPolarHBondContact O-CB 3.36Å; E149-N157 PolarHBondContact O-ND2 2.85Å
150T98.9Very high97.7Very high0 Ų059.5 Ų59.50%028%0.284CS..EExtended strand (participates in β ladder)trans-138.4159.6-176.360.50000111.7V119 G120 N121 K122 C123 M148 H156 N157 L161V119-T150 HydrophobicContact CG1-CG2 3.78Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.38Å; G120-T150 PolarHBondContact O-N 2.81Å; N121-T150 CarbonylContact C-O 3.54Å; N121-T150 VanDerWaalsContact CA-O 3.31Å; N121-T150 WeakPolarHBondContact CA-O 3.3Å; N121-T150 PolarHBondContact OD1-O 3.32Å; N121-T150 PolarHBondContact OD1-OG1 3.32Å; K122-T150 PolarHBondContact N-O 2.82Å; C123-T150 PolarHBondContact N-O 2.93Å; C123-T150 VanDerWaalsContact N-O 3.11Å; C123-T150 PolarHBondContact SG-O 3.08Å; M148-T150 HydrophobicContact CG-CG2 4.18Å; M148-T150 HydrophobicContact SD-CG2 4.4Å; T150-H156 WeakPolarHBondContact CA-O 3.25Å; T150-N157 HydrophobicContact CG2-CB 3.9Å; T150-L161 HydrophobicContact CG2-CB 4.28Å; T150-L161 HydrophobicContact CG2-CD2 4.26Å
151S98.6Very high97.7Very high0 Ų059.3 Ų59.30%028%0.282CS..BIsolated β-bridgetrans-136.9106.3165.7169.20000109.4D124 K153 T154 N155 H156D124-S151 VanDerWaalsContact CG-OG 3.23Å; D124-S151 WeakPolarHBondContact OD1-CB 3.33Å; D124-S151 PolarHBondContact OD1-OG 3.38Å; S151-K153 PolarHBondContact O-N 2.94Å; S151-K153 PolarHBondContact OG-N 3Å; S151-T154 WeakPolarHBondContact CB-OG1 3.25Å; S151-T154 PolarHBondContact O-N 3.17Å; S151-T154 PolarHBondContact OG-N 3.16Å; S151-T154 PolarHBondContact OG-OG1 3.18Å; S151-N155 CarbonylContact O-C 3.56Å; S151-N155 VanDerWaalsContact O-CA 3.31Å; S151-N155 WeakPolarHBondContact O-CA 3.49Å; S151-N155 PolarHBondContact O-N 2.77Å; S151-H156 PolarHBondContact N-O 3.04Å; S151-H156 PolarHBondContact O-N 2.68Å
152A98.3Very high97.7Very high2 Ų252.8 Ų52.82%0.01725%0.254CS..THydrogen-bonded Turntrans-58.4-31.9171.400000112.3L23 R26 F32 N121L23-A152 HydrophobicContact CD2-CB 3.97Å; L23-A152 HydrophobicContact CG-CB 4.17Å; R26-A152 PolarHBondContact NE-O 3.31Å; R26-A152 PolarHBondContact NH2-O 3.29Å; F32-A152 HydrophobicContact CD2-CB 4.18Å; F32-A152 HydrophobicContact CE2-CB 4.28Å; N121-A152 PolarHBondContact OD1-N 3.1Å
153K97.7Very high97.7Very high104 Ų10446.7 Ų46.745%0.45223%0.228SC..THydrogen-bonded Turntrans-65.8-54.7-179.7-174.5177.4-173.9178.40111.2R26 F32 D124 S151 N155R26-K153 PolarHBondContact NH2-O 3.31Å; F32-K153 HydrophobicContact CD1-CG 4.38Å; F32-K153 HydrophobicContact CD2-CB 4.45Å; F32-K153 HydrophobicContact CE1-CB 4.07Å; F32-K153 HydrophobicContact CE1-CD 4.46Å; F32-K153 HydrophobicContact CE1-CG 3.77Å; F32-K153 HydrophobicContact CE2-CB 3.9Å; F32-K153 HydrophobicContact CE2-CG 4.5Å; F32-K153 HydrophobicContact CZ-CB 3.69Å; F32-K153 HydrophobicContact CZ-CD 4.4Å; F32-K153 HydrophobicContact CZ-CG 3.84Å; D124-K153 WeakPolarHBondContact OD2-CD 3.28Å; S151-K153 PolarHBondContact O-N 2.94Å; S151-K153 PolarHBondContact OG-N 3Å; K153-N155 VanDerWaalsContact C-N 3.31Å
154T97.9Very high97.7Very high82 Ų8249.9 Ų49.950%0.50324%0.244SC..THydrogen-bonded Turntrans-86.4-2.5-177.664.50000113.4D124 S151 H156D124-T154 HydrophobicContact CB-CG2 3.91Å; S151-T154 WeakPolarHBondContact CB-OG1 3.25Å; S151-T154 PolarHBondContact O-N 3.17Å; S151-T154 PolarHBondContact OG-N 3.16Å; S151-T154 PolarHBondContact OG-OG1 3.18Å; T154-H156 PolarHBondContact O-N 2.89Å; T154-H156 WeakPolarHBondContact OG1-CB 3.4Å
155N97.9Very high97.8Very high88 Ų8843 Ų4347%0.47121%0.214SC..THydrogen-bonded Turntrans6127.2-172.6-165.546.6000113.2R26 S151 K153R26-N155 WeakPolarHBondContact CD-OD1 3.43Å; R26-N155 HydrophobicContact CG-CB 4.34Å; R26-N155 WeakPolarHBondContact CG-OD1 3.36Å; S151-N155 CarbonylContact O-C 3.56Å; S151-N155 VanDerWaalsContact O-CA 3.31Å; S151-N155 WeakPolarHBondContact O-CA 3.49Å; S151-N155 PolarHBondContact O-N 2.77Å; K153-N155 VanDerWaalsContact C-N 3.31Å
156H98.6Very high97.8Very high90 Ų9042.1 Ų42.142%0.41721%0.208SC..BIsolated β-bridgetrans-78.8127.2176.7-176.867.9000111T150 S151 T154 V158T150-H156 WeakPolarHBondContact CA-O 3.25Å; S151-H156 PolarHBondContact N-O 3.04Å; S151-H156 PolarHBondContact O-N 2.68Å; T154-H156 PolarHBondContact O-N 2.89Å; T154-H156 WeakPolarHBondContact OG1-CB 3.4Å; H156-V158 PolarHBondContact O-N 2.98Å
157N98.5Very high97.6Very high45 Ų4544.9 Ų44.924%0.24122%0.219CC..SBendtrans57.714.4178.2-73.1-14.3000115.8M148 E149 T150 E160 L161M148-N157 HydrophobicContact CG-CB 4.05Å; M148-N157 HydrophobicContact SD-CB 3.74Å; E149-N157 VanDerWaalsContact O-CB 3.31Å; E149-N157 WeakPolarHBondContact O-CB 3.36Å; E149-N157 PolarHBondContact O-ND2 2.85Å; T150-N157 HydrophobicContact CG2-CB 3.9Å; N157-E160 VanDerWaalsContact C-OE2 3.26Å; N157-E160 WeakPolarHBondContact CA-OE2 3.44Å; N157-L161 VanDerWaalsContact O-CB 3.23Å; N157-L161 WeakPolarHBondContact O-CB 3.43Å; N157-L161 PolarHBondContact O-N 3.31Å
158V98.3Very high97.4Very high1 Ų146 Ų461%0.00623%0.227CC..Hα-helixtrans-71.2-42.7-176178.60000111.2L23 R26 F27 H156 F162L23-V158 HydrophobicContact CD2-CG2 4.03Å; R26-V158 HydrophobicContact CB-CG1 4.1Å; R26-V158 HydrophobicContact CG-CB 4.22Å; R26-V158 HydrophobicContact CG-CG1 3.85Å; R26-V158 HydrophobicContact CG-CG2 4Å; F27-V158 HydrophobicContact CB-CG1 3.86Å; H156-V158 PolarHBondContact O-N 2.98Å; V158-F162 VanDerWaalsContact O-CD2 3.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.48Å
159K96.3Very high97.1Very high119 Ų11945.2 Ų45.252%0.51722%0.223SC..Hα-helixtrans-75.3-39.2179.2-177.1-179.5176-174.80110.9L161 F162 Q163 L176K159-L161 VanDerWaalsContact C-N 3.31Å; K159-L161 PolarHBondContact O-N 3.14Å; K159-F162 PolarHBondContact O-N 3.06Å; K159-Q163 WeakPolarHBondContact O-CB 3.44Å; K159-Q163 PolarHBondContact O-N 3.31Å; K159-L176 HydrophobicContact CG-CD1 4.26Å
160E98.1Very high96.6Very high88 Ų8851.9 Ų51.941%0.41125%0.251SS..Hα-helixtrans-58.4-43.3177.8-65.170.9-160.300110.3M148 N157 F162 Q163 E164M148-E160 HydrophobicContact CE-CB 4.16Å; M148-E160 HydrophobicContact SD-CB 4.12Å; N157-E160 VanDerWaalsContact C-OE2 3.26Å; N157-E160 WeakPolarHBondContact CA-OE2 3.44Å; E160-F162 PolarHBondContact O-N 3.01Å; E160-Q163 PolarHBondContact O-N 2.78Å; E160-E164 WeakPolarHBondContact O-CB 3.47Å; E160-E164 WeakPolarHBondContact O-CG 3.44Å; E160-E164 PolarHBondContact O-N 2.85Å
161L98.5Very high96Very high1 Ų158.9 Ų58.91%0.00528%0.278CS..Hα-helixtrans-50-55.5173.5165.858.9000112.5L23 I83 M117 V119 M148 T150 N157 K159 L165L23-L161 HydrophobicContact CD1-CD2 4.34Å; L23-L161 HydrophobicContact CD2-CD2 4.47Å; I83-L161 HydrophobicContact CD1-CD1 4.33Å; I83-L161 HydrophobicContact CD1-CD2 4.35Å; I83-L161 HydrophobicContact CD1-CG 4.3Å; I83-L161 HydrophobicContact CG2-CD1 4.39Å; I83-L161 HydrophobicContact CG2-CD2 4.46Å; M117-L161 HydrophobicContact CB-CD1 4.24Å; M117-L161 HydrophobicContact CG-CD1 3.49Å; M117-L161 VanDerWaalsContact CG-CD1 3.49Å; V119-L161 HydrophobicContact CG1-CD2 4.37Å; V119-L161 HydrophobicContact CG2-CD1 3.45Å; V119-L161 VanDerWaalsContact CG2-CD1 3.45Å; V119-L161 HydrophobicContact CG2-CD2 4.09Å; V119-L161 HydrophobicContact CG2-CG 4.43Å; M148-L161 HydrophobicContact SD-CB 4.03Å; M148-L161 PolarHBondContact SD-N 3.35Å; T150-L161 HydrophobicContact CG2-CB 4.28Å; T150-L161 HydrophobicContact CG2-CD2 4.26Å; N157-L161 VanDerWaalsContact O-CB 3.23Å; N157-L161 WeakPolarHBondContact O-CB 3.43Å; N157-L161 PolarHBondContact O-N 3.31Å; K159-L161 VanDerWaalsContact C-N 3.31Å; K159-L161 PolarHBondContact O-N 3.14Å; L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 PolarHBondContact O-N 2.94Å
162F97.1Very high95.3Very high3 Ų363 Ų631%0.01329%0.293CS..Hα-helixtrans-71.5-35.8-177.8-70.2-87.1000111.6F27 I59 I83 V158 K159 E160 L166 L176F27-F162 HydrophobicContact CB-CD2 3.76Å; F27-F162 HydrophobicContact CB-CE2 3.4Å; F27-F162 VanDerWaalsContact CB-CE2 3.4Å; F27-F162 HydrophobicContact CB-CZ 4.11Å; F27-F162 HydrophobicContact CD1-CD1 4.07Å; F27-F162 AromaticContact CD1-CD2 3.72Å; F27-F162 HydrophobicContact CD1-CD2 3.72Å; F27-F162 HydrophobicContact CD1-CE1 4.13Å; F27-F162 AromaticContact CD1-CE2 3.81Å; F27-F162 HydrophobicContact CD1-CE2 3.81Å; F27-F162 AromaticContact CD1-CG 3.88Å; F27-F162 HydrophobicContact CD1-CG 3.88Å; F27-F162 HydrophobicContact CD1-CZ 4.01Å; F27-F162 HydrophobicContact CD2-CB 4.1Å; F27-F162 AromaticContact CD2-CD2 3.34Å; F27-F162 HydrophobicContact CD2-CD2 3.34Å; F27-F162 AromaticContact CD2-CE2 3.96Å; F27-F162 HydrophobicContact CD2-CE2 3.96Å; F27-F162 AromaticContact CD2-CG 3.86Å; F27-F162 HydrophobicContact CD2-CG 3.86Å; F27-F162 HydrophobicContact CE1-CB 4.24Å; F27-F162 HydrophobicContact CE1-CD1 4.05Å; F27-F162 HydrophobicContact CE1-CD2 4.17Å; F27-F162 HydrophobicContact CE1-CE1 4.49Å; F27-F162 AromaticContact CE1-CG 3.88Å; F27-F162 HydrophobicContact CE1-CG 3.88Å; F27-F162 HydrophobicContact CE2-CB 3.65Å; F27-F162 AromaticContact CE2-CD2 3.82Å; F27-F162 HydrophobicContact CE2-CD2 3.82Å; F27-F162 AromaticContact CE2-CG 3.85Å; F27-F162 HydrophobicContact CE2-CG 3.85Å; F27-F162 HydrophobicContact CG-CD1 4.47Å; F27-F162 AromaticContact CG-CD2 3.29Å; F27-F162 HydrophobicContact CG-CD2 3.29Å; F27-F162 AromaticContact CG-CE2 3.43Å; F27-F162 HydrophobicContact CG-CE2 3.43Å; F27-F162 VanDerWaalsContact CG-CE2 3.43Å; F27-F162 AromaticContact CG-CG 3.87Å; F27-F162 HydrophobicContact CG-CG 3.87Å; F27-F162 HydrophobicContact CG-CZ 4.09Å; F27-F162 HydrophobicContact CZ-CB 3.73Å; F27-F162 HydrophobicContact CZ-CD1 4.41Å; F27-F162 HydrophobicContact CZ-CD2 4.21Å; F27-F162 AromaticContact CZ-CG 3.87Å; F27-F162 HydrophobicContact CZ-CG 3.87Å; I59-F162 HydrophobicContact CD1-CD1 4.06Å; I59-F162 HydrophobicContact CD1-CE1 3.66Å; I59-F162 HydrophobicContact CD1-CZ 4.33Å; I59-F162 HydrophobicContact CG1-CE1 4.27Å; I59-F162 HydrophobicContact CG2-CE1 4.13Å; I83-F162 HydrophobicContact CD1-CD1 4.1Å; I83-F162 HydrophobicContact CD1-CE1 3.64Å; I83-F162 HydrophobicContact CD1-CZ 4.03Å; V158-F162 VanDerWaalsContact O-CD2 3.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.48Å; K159-F162 PolarHBondContact O-N 3.06Å; E160-F162 PolarHBondContact O-N 3.01Å; F162-L166 VanDerWaalsContact O-CG 3.25Å; F162-L166 WeakPolarHBondContact O-CG 3.37Å; F162-L166 PolarHBondContact O-N 3.01Å; F162-L166 VanDerWaalsContact O-N 3.14Å; F162-L176 HydrophobicContact CB-CD1 4.34Å
163Q95.9Very high94.7Very high42 Ų4268 Ų6820%0.19632%0.324CS..Hα-helixtrans-63.8-47.3176.6-175.859.962.100111.6K159 E160 L166 N167 L176K159-Q163 WeakPolarHBondContact O-CB 3.44Å; K159-Q163 PolarHBondContact O-N 3.31Å; E160-Q163 PolarHBondContact O-N 2.78Å; Q163-L166 PolarHBondContact O-N 2.94Å; Q163-N167 PolarHBondContact NE2-OD1 3.02Å; Q163-N167 PolarHBondContact O-N 2.71Å; Q163-N167 PolarHBondContact O-ND2 2.76Å; Q163-N167 PolarHBondContact O-OD1 2.81Å; Q163-L176 HydrophobicContact CB-CD1 4.07Å
164E96.9Very high94.3Very high87 Ų8763.5 Ų63.541%0.40731%0.305SS..Hα-helixtrans-68-38.4179.8-68.5-52.8155.100112M117 M148 E160 L166 N167 L168M117-E164 HydrophobicContact CE-CB 3.88Å; M148-E164 HydrophobicContact CE-CB 4.36Å; M148-E164 HydrophobicContact CE-CG 3.92Å; E160-E164 WeakPolarHBondContact O-CB 3.47Å; E160-E164 WeakPolarHBondContact O-CG 3.44Å; E160-E164 PolarHBondContact O-N 2.85Å; E164-L166 VanDerWaalsContact C-N 3.27Å; E164-L166 PolarHBondContact O-N 3.48Å; E164-N167 WeakPolarHBondContact O-CB 3.24Å; E164-N167 PolarHBondContact O-N 3.39Å; E164-N167 VanDerWaalsContact O-N 3.14Å; E164-N167 PolarHBondContact OE2-ND2 3.31Å; E164-L168 WeakPolarHBondContact O-CG 2.95Å; E164-L168 PolarHBondContact O-N 2.97Å; E164-L168 VanDerWaalsContact O-N 3.16Å
165L96.9Very high93.9Very high1 Ų160.9 Ų60.91%0.00529%0.29CS..Hα-helixtrans-58.1-41.6173.5-17574.4000111.9V10 A81 I83 P115 M117 L161 L168V10-L165 HydrophobicContact CB-CD2 4.47Å; V10-L165 HydrophobicContact CG1-CD2 3.67Å; V10-L165 HydrophobicContact CG2-CD2 3.91Å; A81-L165 HydrophobicContact CB-CD1 4.23Å; A81-L165 HydrophobicContact CB-CD2 4Å; A81-L165 HydrophobicContact CB-CG 4.07Å; I83-L165 HydrophobicContact CD1-CD2 3.86Å; I83-L165 HydrophobicContact CG1-CD2 3.57Å; P115-L165 HydrophobicContact CB-CD1 3.99Å; P115-L165 HydrophobicContact CB-CG 4.49Å; M117-L165 HydrophobicContact CB-CD1 3.8Å; L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 PolarHBondContact O-N 2.94Å; L165-L168 PolarHBondContact O-N 2.91Å
166L94.8Very high93.4Very high3 Ų358 Ų582%0.01628%0.275CS..Hα-helixtrans-68.8-35.6176.7-66.4177.9000112.2Y8 L57 F162 Q163 E164 L168 E169 V174 L176Y8-L166 HydrophobicContact CD1-CD2 3.55Å; Y8-L166 HydrophobicContact CE1-CD2 3.48Å; Y8-L166 VanDerWaalsContact CE1-CD2 3.48Å; Y8-L166 HydrophobicContact CG-CD2 4.48Å; L57-L166 HydrophobicContact CD1-CD2 4.26Å; F162-L166 VanDerWaalsContact O-CG 3.25Å; F162-L166 WeakPolarHBondContact O-CG 3.37Å; F162-L166 PolarHBondContact O-N 3.01Å; F162-L166 VanDerWaalsContact O-N 3.14Å; Q163-L166 PolarHBondContact O-N 2.94Å; E164-L166 VanDerWaalsContact C-N 3.27Å; E164-L166 PolarHBondContact O-N 3.48Å; L166-L168 PolarHBondContact O-N 2.87Å; L166-E169 WeakPolarHBondContact O-CB 3.27Å; L166-E169 PolarHBondContact O-N 3.11Å; L166-E169 VanDerWaalsContact O-N 3.12Å; L166-V174 HydrophobicContact CB-CB 4.44Å; L166-V174 HydrophobicContact CD1-CG1 4.17Å; L166-V174 HydrophobicContact CD2-CB 4.25Å; L166-V174 HydrophobicContact CD2-CG1 3.76Å; L166-V174 HydrophobicContact CG-CG1 4.37Å; L166-L176 HydrophobicContact CD1-CD2 3.53Å; L166-L176 HydrophobicContact CD1-CG 3.93Å
167N93.9Very high92.6Very high84 Ų8459.6 Ų59.645%0.44928%0.282SS..Hα-helixtrans-63.9-25.1176.2-65.2-17.6000112.9Q163 E164 E169Q163-N167 PolarHBondContact NE2-OD1 3.02Å; Q163-N167 PolarHBondContact O-N 2.71Å; Q163-N167 PolarHBondContact O-ND2 2.76Å; Q163-N167 PolarHBondContact O-OD1 2.81Å; E164-N167 WeakPolarHBondContact O-CB 3.24Å; E164-N167 PolarHBondContact O-N 3.39Å; E164-N167 VanDerWaalsContact O-N 3.14Å; E164-N167 PolarHBondContact OE2-ND2 3.31Å; N167-E169 VanDerWaalsContact C-N 3.27Å; N167-E169 PolarHBondContact O-N 2.98Å
168L93.9Very high91.4Very high69 Ų6961.4 Ų61.436%0.36129%0.291SS..THydrogen-bonded Turntrans-74.5-14.9176.2-66.1171.2000113.2P115 M117 A146 E164 L165 L166 K170P115-L168 HydrophobicContact CB-CB 3.87Å; P115-L168 HydrophobicContact CG-CB 4.17Å; M117-L168 HydrophobicContact CE-CD1 4.42Å; A146-L168 HydrophobicContact CB-CD1 3.63Å; E164-L168 WeakPolarHBondContact O-CG 2.95Å; E164-L168 PolarHBondContact O-N 2.97Å; E164-L168 VanDerWaalsContact O-N 3.16Å; L165-L168 PolarHBondContact O-N 2.91Å; L166-L168 PolarHBondContact O-N 2.87Å; L168-K170 PolarHBondContact O-N 3.49Å
169E92.2Very high89.5Confident14 Ų1466.9 Ų66.97%0.06532%0.32CS..  trans-71.4115.7177.2-178.958-106.800110.6Y8 P115 L166 N167 R171 R172 V174Y8-E169 HydrophobicContact CE2-CB 4.38Å; Y8-E169 HydrophobicContact CE2-CG 3.79Å; Y8-E169 WeakPolarHBondContact CE2-OE2 3.47Å; Y8-E169 WeakPolarHBondContact OH-CB 3.37Å; Y8-E169 PolarHBondContact OH-OE2 2.81Å; P115-E169 HydrophobicContact CG-CB 4.13Å; L166-E169 WeakPolarHBondContact O-CB 3.27Å; L166-E169 PolarHBondContact O-N 3.11Å; L166-E169 VanDerWaalsContact O-N 3.12Å; N167-E169 VanDerWaalsContact C-N 3.27Å; N167-E169 PolarHBondContact O-N 2.98Å; E169-R171 VanDerWaalsContact OE1-CB 3.28Å; E169-R171 WeakPolarHBondContact OE1-CB 3.49Å; E169-R171 IonicContact OE1-CZ 3.84Å; E169-R171 PolarHBondContact OE1-N 3.08Å; E169-R171 IonicContact OE1-NE 3.84Å; E169-R171 PolarHBondContact OE1-NE 3.48Å; E169-R171 IonicContact OE1-NH2 3.42Å; E169-R171 PolarHBondContact OE1-NH2 3.05Å; E169-R171 IonicContact OE2-CZ 2.86Å; E169-R171 IonicContact OE2-NE 3.04Å; E169-R171 IonicContact OE2-NH2 2.95Å; E169-R171 PolarHBondContact OE2-NH2 3.19Å; E169-R172 HydrophobicContact CG-CB 4.32Å; E169-V174 HydrophobicContact CG-CG2 4.37Å
170K88.5Confident87.3Confident166 Ų16663.4 Ų63.472%0.72232%0.318SS*.SBendtrans-93-19-177.1-64.2175.8-175.1163.10113.2E112 L168E112-K170 PolarHBondContact O-NZ 3.22Å; E112-K170 VanDerWaalsContact O-NZ 3.11Å; L168-K170 PolarHBondContact O-N 3.49Å
171R86.1Confident84.8Confident148 Ų14867.1 Ų67.156%0.55833%0.333SS*.SBendtrans-88.3-19.8-173.4-60.1167.3-66.1-179.7-1.3113E169E169-R171 VanDerWaalsContact OE1-CB 3.28Å; E169-R171 WeakPolarHBondContact OE1-CB 3.49Å; E169-R171 IonicContact OE1-CZ 3.84Å; E169-R171 PolarHBondContact OE1-N 3.08Å; E169-R171 IonicContact OE1-NE 3.84Å; E169-R171 PolarHBondContact OE1-NE 3.48Å; E169-R171 IonicContact OE1-NH2 3.42Å; E169-R171 PolarHBondContact OE1-NH2 3.05Å; E169-R171 IonicContact OE2-CZ 2.86Å; E169-R171 IonicContact OE2-NE 3.04Å; E169-R171 IonicContact OE2-NH2 2.95Å; E169-R171 PolarHBondContact OE2-NH2 3.19Å
172R85.4Confident82.3Confident86 Ų8669.9 Ų69.933%0.32535%0.353SS..SBendtrans-145.3142.7-177.7-58.6-176.3-170-179.82.6109.2N6 E169 V174N6-R172 PolarHBondContact OD1-NH1 2.91Å; E169-R172 HydrophobicContact CG-CB 4.32Å; R172-V174 HydrophobicContact CB-CG2 3.88Å; R172-V174 PolarHBondContact O-N 2.8Å
173T86.3Confident79.7Confident108 Ų10878.2 Ų78.266%0.66339%0.389SS*.  trans-82.1106171.8-56.90000108.6C50 D51C50-T173 CarbonylContact C-O 3.59Å; C50-T173 VanDerWaalsContact CA-O 3.23Å; C50-T173 WeakPolarHBondContact CA-O 3.47Å; D51-T173 PolarHBondContact N-O 3.42Å; D51-T173 PolarHBondContact OD1-N 3.17Å
174V88.2Confident77.5Confident8 Ų883.5 Ų83.55%0.04841%0.413CS..EExtended strand (participates in β ladder)trans-118.6134.8-177.1-166.20000110.3Y8 I48 S49 L166 E169 R172Y8-V174 HydrophobicContact CD2-CG2 4.04Å; Y8-V174 HydrophobicContact CE2-CG2 4.2Å; Y8-V174 HydrophobicContact CG-CG1 4.38Å; I48-V174 HydrophobicContact CD1-CG1 3.2Å; I48-V174 HydrophobicContact CG1-CG1 4.32Å; S49-V174 CarbonylContact O-C 3.58Å; S49-V174 WeakPolarHBondContact O-CA 3.4Å; L166-V174 HydrophobicContact CB-CB 4.44Å; L166-V174 HydrophobicContact CD1-CG1 4.17Å; L166-V174 HydrophobicContact CD2-CB 4.25Å; L166-V174 HydrophobicContact CD2-CG1 3.76Å; L166-V174 HydrophobicContact CG-CG1 4.37Å; E169-V174 HydrophobicContact CG-CG2 4.37Å; R172-V174 HydrophobicContact CB-CG2 3.88Å; R172-V174 PolarHBondContact O-N 2.8Å
175S89.1Confident75.3Confident28 Ų2885.8 Ų85.820%0.19642%0.424CS..EExtended strand (participates in β ladder)trans-149.4149.6179.382.60000113.6I48 S49 Q177I48-S175 WeakPolarHBondContact CB-O 3.19Å; S49-S175 WeakPolarHBondContact CB-OG 3.33Å; S49-S175 PolarHBondContact N-O 3.42Å; S49-S175 PolarHBondContact O-N 2.88Å; S175-Q177 PolarHBondContact O-N 2.9Å; S175-Q177 PolarHBondContact OG-O 3.19Å; S175-Q177 VanDerWaalsContact OG-O 3.05Å
176L87.8Confident73Confident28 Ų2893.4 Ų93.415%0.14746%0.457CS..SBendtrans-69.6-17.2178.2-62.5-178.3000113.5F27 I48 L57 K159 F162 Q163 L166F27-L176 HydrophobicContact CE2-CD1 3.74Å; F27-L176 HydrophobicContact CE2-CD2 4.35Å; F27-L176 HydrophobicContact CZ-CD1 3.93Å; F27-L176 HydrophobicContact CZ-CD2 3.66Å; F27-L176 HydrophobicContact CZ-CG 4.45Å; I48-L176 HydrophobicContact CG2-CD2 4.02Å; L57-L176 HydrophobicContact CD2-CD2 4.17Å; K159-L176 HydrophobicContact CG-CD1 4.26Å; F162-L176 HydrophobicContact CB-CD1 4.34Å; Q163-L176 HydrophobicContact CB-CD1 4.07Å; L166-L176 HydrophobicContact CD1-CD2 3.53Å; L166-L176 HydrophobicContact CD1-CG 3.93Å
177Q81.6Confident71Confident122 Ų122102.3 Ų102.357%0.5749%0.491SS*.SBendtrans-96122179.4-62.2-169.215.700110.2S49 S175 D179S49-Q177 WeakPolarHBondContact CB-O 3.47Å; S175-Q177 PolarHBondContact O-N 2.9Å; S175-Q177 PolarHBondContact OG-O 3.19Å; S175-Q177 VanDerWaalsContact OG-O 3.05Å; Q177-D179 PolarHBondContact O-N 3.42Å
178I74.3Confident69.1Low83 Ų83101 Ų10143%0.42649%0.491SS..  trans-69.8118.2168-54.5173000107.2V47 I54 G180V47-I178 HydrophobicContact CB-CD1 4.38Å; V47-I178 HydrophobicContact CG1-CD1 3.75Å; I54-I178 HydrophobicContact CD1-CG2 4.29Å; I54-I178 HydrophobicContact CG1-CG2 4.3Å; I178-G180 VanDerWaalsContact C-N 3.29Å; I178-G180 PolarHBondContact O-N 3.24Å
179D58Low67.2Low116 Ų116104.6 Ų104.662%0.6251%0.506SS*.THydrogen-bonded Turntrans-60.888.4178.9-82.7-43.8000110.4Q177Q177-D179 PolarHBondContact O-N 3.42Å
180G49.8Very low65.4Low46 Ų46112 Ų11247%0.47454%0.538SS..THydrogen-bonded Turntrans-168.3-26.1-177.800000114.9I178I178-G180 VanDerWaalsContact C-N 3.29Å; I178-G180 PolarHBondContact O-N 3.24Å
181K45.1Very low64Low166 Ų166109.7 Ų109.772%0.72253%0.533SS*.Hα-helixtrans-92-26.1-177.6-70.2-171.2176.1-179.50115K183 Q185K181-K183 PolarHBondContact O-N 3.3Å; K181-Q185 PolarHBondContact O-N 2.96Å
182S46.5Very low62.6Low60 Ų60111.5 Ų111.542%0.4255%0.545SS..Hα-helixtrans-70.5-32.4-175.658.50000113.7K186S182-K186 PolarHBondContact O-N 3.27Å
183K43.5Very low61Low177 Ų177110.5 Ų110.577%0.7756%0.562SS**Hα-helixtrans-79.3-31.3178.2-75.2-175.7179.51760113.6K181 R187K181-K183 PolarHBondContact O-N 3.3Å; K183-R187 WeakPolarHBondContact O-CB 3.46Å; K183-R187 PolarHBondContact O-N 3.22Å
184Q49.6Very low59.6Low153 Ų153113.9 Ų113.972%0.71557%0.567SS**Hα-helixtrans-74.8-39176.9-89.3-178.4-5.400112.4R187 A188Q184-R187 PolarHBondContact O-N 3.05Å; Q184-A188 WeakPolarHBondContact O-CB 3.32Å; Q184-A188 PolarHBondContact O-N 3.45Å
185Q50.8Low57.8Low136 Ų136118.7 Ų118.764%0.63660%0.6SS**Hα-helixtrans-64-46.1175.5-85.6174.1-32.400112.2K181 R187 A188 E189K181-Q185 PolarHBondContact O-N 2.96Å; Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.12Å; Q185-A188 PolarHBondContact O-N 3.41Å; Q185-E189 PolarHBondContact O-N 3.39Å; Q185-E189 VanDerWaalsContact O-N 3.08Å
186K47.1Very low55.7Low160 Ų160123.8 Ų123.870%0.69663%0.63SS**Hα-helixtrans-63.6-29.4176.1-75.7-174.7175.8-177.90113.5S182 K190S182-K186 PolarHBondContact O-N 3.27Å; K186-K190 PolarHBondContact O-N 2.98Å
187R53Low53.7Low191 Ų191128.7 Ų128.772%0.72166%0.66SS**Hα-helixtrans-79.1-39.3177.7-157.9176.2-179.2-177.5-0.2111.6K183 Q184 Q185 K190 L191K183-R187 WeakPolarHBondContact O-CB 3.46Å; K183-R187 PolarHBondContact O-N 3.22Å; Q184-R187 PolarHBondContact O-N 3.05Å; Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.12Å; R187-K190 PolarHBondContact O-N 3.18Å; R187-L191 HydrophobicContact CG-CD1 4.24Å; R187-L191 WeakPolarHBondContact O-CD1 3.48Å; R187-L191 PolarHBondContact O-N 3.22Å; R187-L191 VanDerWaalsContact O-N 3.14Å
188A53.5Low51.6Low56 Ų56135 Ų13546%0.46369%0.693SS.*Hα-helixtrans-65.5-39.2177.100000112.6Q184 Q185 L191 K192Q184-A188 WeakPolarHBondContact O-CB 3.32Å; Q184-A188 PolarHBondContact O-N 3.45Å; Q185-A188 PolarHBondContact O-N 3.41Å; A188-L191 PolarHBondContact O-N 2.9Å; A188-K192 PolarHBondContact O-N 2.89Å
189E55.1Low50.5Low145 Ų145137.7 Ų137.768%0.67871%0.707SS**Hα-helixtrans-66.4-38.2174.2-74.2178.8155.700112.3Q185 L191 K192 G193Q185-E189 PolarHBondContact O-N 3.39Å; Q185-E189 VanDerWaalsContact O-N 3.08Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.46Å; E189-K192 PolarHBondContact O-N 3.36Å; E189-G193 PolarHBondContact O-N 2.63Å
190K54.8Low50.1Low168 Ų168138.8 Ų138.873%0.7371%0.711SS**Hα-helixtrans-68.7-26.1177.2-124.9176.7-176.9179.50113.9K186 R187K186-K190 PolarHBondContact O-N 2.98Å; R187-K190 PolarHBondContact O-N 3.18Å
191L58.8Low50.1Low119 Ų119143.9 Ų143.962%0.62372%0.724SS**Hα-helixtrans-81.4-34.9176.9-93.2139.6000112.2R187 A188 E189 G193 K194R187-L191 HydrophobicContact CG-CD1 4.24Å; R187-L191 WeakPolarHBondContact O-CD1 3.48Å; R187-L191 PolarHBondContact O-N 3.22Å; R187-L191 VanDerWaalsContact O-N 3.14Å; A188-L191 PolarHBondContact O-N 2.9Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.46Å; L191-G193 VanDerWaalsContact C-N 3.3Å; L191-G193 PolarHBondContact O-N 2.88Å; L191-K194 PolarHBondContact O-N 2.75Å
192K57.6Low50.4Low185 Ų185142.6 Ų142.680%0.80473%0.725SS**Hα-helixtrans-67.6-26.4175.8-79.4-175.3173.7-175.30113.8A188 E189 K194A188-K192 PolarHBondContact O-N 2.89Å; E189-K192 PolarHBondContact O-N 3.36Å; K192-K194 VanDerWaalsContact C-N 3.34Å; K192-K194 PolarHBondContact O-N 2.95Å
193G51.5Low50.6Low66 Ų66147.8 Ų147.868%0.6874%0.744SS**THydrogen-bonded Turntrans-81.90.2176.800000116E189 L191E189-G193 PolarHBondContact O-N 2.63Å; L191-G193 VanDerWaalsContact C-N 3.3Å; L191-G193 PolarHBondContact O-N 2.88Å
194K56.9Low51.1Low178 Ų178145.9 Ų145.977%0.77474%0.742SS**THydrogen-bonded Turntrans-113.1-2.2-176.5-77-169.3173.1-168.30115.2L191 K192 V196L191-K194 PolarHBondContact O-N 2.75Å; K192-K194 VanDerWaalsContact C-N 3.34Å; K192-K194 PolarHBondContact O-N 2.95Å; K194-V196 PolarHBondContact O-N 3.44Å
195C49.2Very low51.2Low109 Ų109145.4 Ų145.474%0.73674%0.744SS**  trans-97.180.2171.7-102.60000109.6
196V45.1Very low51.3Low136 Ų136146.1 Ų146.182%0.82475%0.752SS**  trans-106.1104.5151.8-177.70000104.5K194K194-V196 PolarHBondContact O-N 3.44Å
197V45.3Very low51.6Low130 Ų130144.9 Ų144.979%0.78876%0.757SS**  trans-68.5125.1176179.20000107
198M38.6Very low51.5Low256 Ų256140.7 Ų140.7100%1.26176%0.76SS**  trans-66.50166.8-93.2-177-86.800110.8

Retrieved 198 of 198 residues in 346.8 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).