G4VCD7_SCHMA Loading...

Dihydropteridine reductase

Catalyzes the conversion of quinonoid dihydrobiopterin into tetrahydrobiopterin.

AlphaFold DB , UniProt , Accession G4VCD7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.7Low91.2Very high245 Ų24547.9 Ų47.9100%1.20726%0.26SS*.  0135.10-97.7178.9-112.600107.9
2S71.5Confident91.8Very high101 Ų10152.8 Ų52.871%0.70627%0.272SS*.PPolyproline II helixtrans-63.9139.3171.450.50000109.7K4S2-K4 PolarHBondContact O-N 3.29Å
3C89.3Confident92.2Very high59 Ų5951.2 Ų51.240%0.39928%0.276SS..PPolyproline II helixtrans-56.1126.9171.3177.30000109.5R5 G27 W29C3-R5 PolarHBondContact O-NH1 3.25Å; C3-G27 PolarHBondContact SG-O 2.9Å; C3-W29 PolarHBondContact SG-N 3.3Å
4K97Very high92.5Very high75 Ų7551 Ų5133%0.32628%0.28SS..PPolyproline II helixtrans-68.4144.2176.8-76.9-173.7179.5179.10109.9S2 Y28 W29 D74 L209S2-K4 PolarHBondContact O-N 3.29Å; K4-Y28 HydrophobicContact CB-CD1 3.46Å; K4-Y28 VanDerWaalsContact CB-CD1 3.46Å; K4-Y28 HydrophobicContact CB-CE1 3.34Å; K4-Y28 HydrophobicContact CD-CE1 3.6Å; K4-Y28 HydrophobicContact CG-CE1 4.11Å; K4-W29 PolarHBondContact O-N 2.61Å; K4-D74 WeakPolarHBondContact CA-OD2 3.41Å; K4-D74 HydrophobicContact CB-CB 4.4Å; K4-D74 WeakPolarHBondContact CB-OD2 3.4Å; K4-D74 HydrophobicContact CG-CB 4.49Å; K4-L209 PolarHBondContact NZ-O 3.32Å; K4-L209 VanDerWaalsContact NZ-O 3.14Å
5R98.7Very high92.9Very high37 Ų3748.4 Ų48.414%0.1427%0.265CS..EExtended strand (participates in β ladder)trans-112.2134.2-176.3-71.7169.4-172.861.212.6110.8C3 W29 Q71 K72 I73 D74 G75C3-R5 PolarHBondContact O-NH1 3.25Å; R5-W29 WeakPolarHBondContact CA-O 3.3Å; R5-W29 HydrophobicContact CB-CE3 3.81Å; R5-W29 HydrophobicContact CB-CZ3 4.35Å; R5-W29 HydrophobicContact CG-CB 4.04Å; R5-W29 HydrophobicContact CG-CD2 4.06Å; R5-W29 HydrophobicContact CG-CE3 3.64Å; R5-W29 HydrophobicContact CG-CG 4.28Å; R5-W29 HydrophobicContact CG-CZ3 4.36Å; R5-Q71 VanDerWaalsContact NH2-NE2 3.16Å; R5-K72 WeakPolarHBondContact CD-O 3.47Å; R5-I73 WeakPolarHBondContact O-CG2 3.35Å; R5-D74 PolarHBondContact N-OD2 3.13Å; R5-D74 WeakPolarHBondContact O-CB 3.26Å; R5-D74 PolarHBondContact O-N 3.47Å; R5-G75 PolarHBondContact O-N 2.76Å
6V98.9Very high93.3Very high0 Ų045.4 Ų45.40%025%0.249CC..EExtended strand (participates in β ladder)trans-128.2147.4173.6-610000112L8 F23 Y28 W29 V30 C31 G75 F77 L209V6-L8 HydrophobicContact CB-CD2 4.11Å; V6-L8 HydrophobicContact CG2-CD2 3.74Å; V6-F23 HydrophobicContact CG1-CD1 4.34Å; V6-F23 HydrophobicContact CG1-CE1 4.27Å; V6-F23 HydrophobicContact CG1-CZ 4.48Å; V6-F23 HydrophobicContact CG2-CB 4.03Å; V6-F23 HydrophobicContact CG2-CD1 4.31Å; V6-F23 HydrophobicContact CG2-CD2 3.96Å; V6-F23 HydrophobicContact CG2-CG 3.85Å; V6-Y28 HydrophobicContact CG1-CD1 3.82Å; V6-Y28 HydrophobicContact CG1-CE1 4.28Å; V6-W29 PolarHBondContact N-O 3.33Å; V6-V30 HydrophobicContact CG2-CB 4.23Å; V6-V30 HydrophobicContact CG2-CG1 4.19Å; V6-V30 HydrophobicContact CG2-CG2 3.69Å; V6-V30 WeakPolarHBondContact O-CA 3.46Å; V6-C31 PolarHBondContact O-N 2.82Å; V6-G75 CarbonylContact C-O 3.52Å; V6-G75 WeakPolarHBondContact CA-O 3.46Å; V6-F77 HydrophobicContact CB-CD2 4.35Å; V6-F77 HydrophobicContact CB-CE2 4.11Å; V6-F77 HydrophobicContact CG1-CE2 3.84Å; V6-L209 HydrophobicContact CG1-CD2 3.44Å; V6-L209 VanDerWaalsContact CG1-CD2 3.44Å
7L98.9Very high93.6Very high0 Ų044.5 Ų44.50%025%0.247CC..EExtended strand (participates in β ladder)trans-111.6125.7172.5-174.969000109.7C31 V33 L64 I73 G75 I76 F77 L114L7-C31 WeakPolarHBondContact CA-O 3.29Å; L7-C31 HydrophobicContact CD1-CB 3.72Å; L7-V33 HydrophobicContact CD1-CG2 3.53Å; L7-V33 HydrophobicContact CD2-CG2 4.49Å; L7-V33 HydrophobicContact CG-CG2 4.2Å; L7-L64 HydrophobicContact CD1-CD1 4.42Å; L7-L64 HydrophobicContact CD1-CD2 3.75Å; L7-L64 HydrophobicContact CD2-CD1 3.95Å; L7-I73 HydrophobicContact CB-CD1 4.07Å; L7-I73 HydrophobicContact CB-CG2 4.27Å; L7-I73 HydrophobicContact CD2-CD1 4.38Å; L7-G75 PolarHBondContact N-O 2.99Å; L7-I76 HydrophobicContact CB-CB 4.49Å; L7-I76 HydrophobicContact CB-CG1 4.06Å; L7-I76 HydrophobicContact CB-CG2 4.44Å; L7-I76 HydrophobicContact CD2-CG1 4.29Å; L7-I76 HydrophobicContact CD2-CG2 4.09Å; L7-F77 PolarHBondContact O-N 3.07Å; L7-L114 HydrophobicContact CD2-CD1 3.76Å
8L98.9Very high93.9Very high0 Ų043.6 Ų43.60%024%0.243CC..EExtended strand (participates in β ladder)trans-110.198.3176.2-81-71.4000108.8V6 G10 G11 C19 V20 F23 V30 C31 V33 F77V6-L8 HydrophobicContact CB-CD2 4.11Å; V6-L8 HydrophobicContact CG2-CD2 3.74Å; L8-G10 PolarHBondContact O-N 3.4Å; L8-G11 PolarHBondContact O-N 3.47Å; L8-C19 HydrophobicContact CD1-CB 3.48Å; L8-C19 VanDerWaalsContact CD1-CB 3.48Å; L8-C19 HydrophobicContact CG-CB 4.33Å; L8-V20 HydrophobicContact CB-CG2 3.99Å; L8-V20 HydrophobicContact CG-CG2 3.94Å; L8-F23 HydrophobicContact CD2-CD2 3.97Å; L8-F23 HydrophobicContact CD2-CE2 4.22Å; L8-V30 HydrophobicContact CD2-CG1 4.04Å; L8-V30 HydrophobicContact CG-CG1 4.48Å; L8-C31 PolarHBondContact N-O 3.19Å; L8-V33 PolarHBondContact O-N 3.06Å; L8-F77 HydrophobicContact CD1-CB 3.82Å; L8-F77 HydrophobicContact CD2-CD2 4.19Å
9H98.9Very high94.1Very high4 Ų441.3 Ų41.32%0.01923%0.23CC..EExtended strand (participates in β ladder)trans-82.6116.2172.2-169.1178.3000108.7V33 F77 C78 V79 A80 S107H9-V33 HydrophobicContact CB-CB 4.48Å; H9-F77 PolarHBondContact N-O 3.39Å; H9-C78 HydrophobicContact CB-CB 4.48Å; H9-V79 CarbonylContact O-C 3.58Å; H9-V79 WeakPolarHBondContact O-CG2 3.49Å; H9-V79 PolarHBondContact O-N 2.84Å; H9-A80 PolarHBondContact O-N 2.73Å; H9-S107 PolarHBondContact ND1-O 3.38Å
10G98.6Very high94.4Very high6 Ų639.3 Ų39.36%0.06222%0.218CC..THydrogen-bonded Turntrans9124.6-163.400000112.9L8 R12 G13 G16 V33 D34L8-G10 PolarHBondContact O-N 3.4Å; G10-R12 PolarHBondContact O-N 3.35Å; G10-R12 VanDerWaalsContact O-N 3.15Å; G10-G13 PolarHBondContact O-N 3.23Å; G10-G13 VanDerWaalsContact O-N 3.09Å; G10-G16 WeakPolarHBondContact O-CA 3.31Å; G10-V33 PolarHBondContact N-O 2.94Å; G10-D34 WeakPolarHBondContact CA-OD2 3.07Å
11G98.7Very high94.6Very high0 Ų043.1 Ų43.10%023%0.233CC..THydrogen-bonded Turntrans-65.3-13-171.200000115.2L8 G16 S17 S32 V33 D34 N38L8-G11 PolarHBondContact O-N 3.47Å; G11-G16 CarbonylContact O-C 3.54Å; G11-S17 WeakPolarHBondContact O-CA 3.49Å; G11-S17 PolarHBondContact O-N 2.7Å; G11-S17 VanDerWaalsContact O-N 3.12Å; G11-S32 WeakPolarHBondContact CA-OG 3.34Å; G11-V33 PolarHBondContact N-O 3.5Å; G11-D34 PolarHBondContact N-OD2 2.8Å; G11-N38 PolarHBondContact O-ND2 3.1Å
12R98.2Very high96.7Very high107 Ų10732.9 Ų32.940%0.40418%0.182SC..THydrogen-bonded Turntrans-98.8-12.6175.3-168.157175.9830.9113.3G10 D34 Q36 E37G10-R12 PolarHBondContact O-N 3.35Å; G10-R12 VanDerWaalsContact O-N 3.15Å; R12-D34 WeakPolarHBondContact CA-OD2 3.45Å; R12-D34 HydrophobicContact CB-CB 3.7Å; R12-D34 VanDerWaalsContact CB-CG 3.45Å; R12-D34 WeakPolarHBondContact CB-OD2 3.49Å; R12-D34 PolarHBondContact N-OD2 3.09Å; R12-Q36 HydrophobicContact CG-CB 4.07Å; R12-E37 VanDerWaalsContact CD-O 3.25Å; R12-E37 WeakPolarHBondContact CD-O 3.09Å; R12-E37 PolarHBondContact NE-O 3.45Å
13G97.1Very high98Very high32 Ų3228.1 Ų28.133%0.3315%0.149SC..SBendtrans-66.5177.3177.100000114.5G10 L15 G16 S17 D34G10-G13 PolarHBondContact O-N 3.23Å; G10-G13 VanDerWaalsContact O-N 3.09Å; G13-L15 PolarHBondContact O-N 3.06Å; G13-G16 PolarHBondContact O-N 3.18Å; G13-S17 WeakPolarHBondContact O-CB 3.25Å; G13-S17 PolarHBondContact O-N 2.84Å; G13-S17 PolarHBondContact O-OG 3.33Å; G13-D34 PolarHBondContact N-OD2 3.21Å
14C97.1Very high98.5Very high48 Ų4828.4 Ų28.432%0.32414%0.143SC..Hα-helixtrans-58.9-48.8-174.9-68.20000112.8S17 T180C14-S17 PolarHBondContact O-OG 2.69Å; C14-T180 HydrophobicContact CB-CG2 3.59Å
15L98.3Very high98.5Very high12 Ų1229.3 Ų29.36%0.06316%0.159CC..Hα-helixtrans-76.7-44.7175.2173.658.8000111.5G13 S17 V18 C19 V79 I173 L178 T198 V201G13-L15 PolarHBondContact O-N 3.06Å; L15-S17 VanDerWaalsContact C-N 3.35Å; L15-S17 PolarHBondContact O-N 2.96Å; L15-V18 WeakPolarHBondContact O-CB 3.39Å; L15-V18 PolarHBondContact O-N 3.3Å; L15-V18 VanDerWaalsContact O-N 3.15Å; L15-C19 PolarHBondContact O-N 2.95Å; L15-C19 PolarHBondContact O-SG 2.85Å; L15-V79 HydrophobicContact CD2-CB 3.91Å; L15-V79 HydrophobicContact CD2-CG1 3.57Å; L15-V79 HydrophobicContact CG-CB 4.18Å; L15-V79 HydrophobicContact CG-CG1 4.02Å; L15-I173 HydrophobicContact CD2-CD1 4.39Å; L15-L178 HydrophobicContact CB-CD1 4.24Å; L15-L178 HydrophobicContact CD2-CD1 3.9Å; L15-T198 HydrophobicContact CB-CG2 4.31Å; L15-T198 HydrophobicContact CD1-CG2 3.94Å; L15-V201 HydrophobicContact CD1-CB 3.79Å; L15-V201 HydrophobicContact CD1-CG1 3.9Å; L15-V201 HydrophobicContact CD1-CG2 4.33Å; L15-V201 HydrophobicContact CD2-CG1 4Å
16G98.7Very high98.5Very high1 Ų133.2 Ų33.21%0.0118%0.177CC..Hα-helixtrans-60.6-40-174.800000113.9G10 G11 G13 V18 C19 V20G10-G16 WeakPolarHBondContact O-CA 3.31Å; G11-G16 CarbonylContact O-C 3.54Å; G13-G16 PolarHBondContact O-N 3.18Å; G16-V18 VanDerWaalsContact C-N 3.3Å; G16-V18 PolarHBondContact O-N 2.83Å; G16-C19 PolarHBondContact O-N 3.17Å; G16-C19 VanDerWaalsContact O-N 3.16Å; G16-V20 WeakPolarHBondContact O-CG2 3.49Å; G16-V20 PolarHBondContact O-N 2.85Å
17S98.7Very high98.4Very high29 Ų2935.8 Ų35.820%0.20320%0.203CC..Hα-helixtrans-64.1-35177.756.70000112.9G11 G13 C14 L15 K21G11-S17 WeakPolarHBondContact O-CA 3.49Å; G11-S17 PolarHBondContact O-N 2.7Å; G11-S17 VanDerWaalsContact O-N 3.12Å; G13-S17 WeakPolarHBondContact O-CB 3.25Å; G13-S17 PolarHBondContact O-N 2.84Å; G13-S17 PolarHBondContact O-OG 3.33Å; C14-S17 PolarHBondContact O-OG 2.69Å; L15-S17 VanDerWaalsContact C-N 3.35Å; L15-S17 PolarHBondContact O-N 2.96Å; S17-K21 WeakPolarHBondContact O-CG 3.28Å; S17-K21 PolarHBondContact O-N 2.91Å; S17-K21 VanDerWaalsContact O-N 3.16Å
18V98.8Very high98.4Very high29 Ų2936.2 Ų36.218%0.17621%0.205CC..Hα-helixtrans-67.9-44.6172.5176.80000110.5L15 G16 V20 K21 H22 E199 A202L15-V18 WeakPolarHBondContact O-CB 3.39Å; L15-V18 PolarHBondContact O-N 3.3Å; L15-V18 VanDerWaalsContact O-N 3.15Å; G16-V18 VanDerWaalsContact C-N 3.3Å; G16-V18 PolarHBondContact O-N 2.83Å; V18-V20 PolarHBondContact O-N 2.73Å; V18-K21 PolarHBondContact O-N 3.01Å; V18-H22 VanDerWaalsContact O-CB 3.32Å; V18-H22 WeakPolarHBondContact O-CB 3.35Å; V18-H22 PolarHBondContact O-N 3.42Å; V18-E199 HydrophobicContact CG1-CG 4.02Å; V18-A202 HydrophobicContact CG1-CB 4.45Å
19C98.9Very high98.4Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-61.6-43.1175.9-64.90000112.5L8 L15 G16 H22 F23 A202L8-C19 HydrophobicContact CD1-CB 3.48Å; L8-C19 VanDerWaalsContact CD1-CB 3.48Å; L8-C19 HydrophobicContact CG-CB 4.33Å; L15-C19 PolarHBondContact O-N 2.95Å; L15-C19 PolarHBondContact O-SG 2.85Å; G16-C19 PolarHBondContact O-N 3.17Å; G16-C19 VanDerWaalsContact O-N 3.16Å; C19-H22 PolarHBondContact O-N 2.82Å; C19-F23 HydrophobicContact CB-CD2 4.48Å; C19-F23 WeakPolarHBondContact O-CD2 3.44Å; C19-F23 PolarHBondContact O-N 2.81Å; C19-A202 HydrophobicContact CB-CB 4.49Å
20V98.9Very high98.4Very high0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-57.6-54.3176.6169.20000109.8L8 G16 V18 H22 F23 K24 V30 D40 A41L8-V20 HydrophobicContact CB-CG2 3.99Å; L8-V20 HydrophobicContact CG-CG2 3.94Å; G16-V20 WeakPolarHBondContact O-CG2 3.49Å; G16-V20 PolarHBondContact O-N 2.85Å; V18-V20 PolarHBondContact O-N 2.73Å; V20-H22 VanDerWaalsContact C-N 3.29Å; V20-H22 PolarHBondContact O-N 3.12Å; V20-F23 PolarHBondContact O-N 3.14Å; V20-K24 HydrophobicContact CG1-CG 4.31Å; V20-K24 WeakPolarHBondContact O-CB 3.47Å; V20-K24 VanDerWaalsContact O-CG 3.25Å; V20-K24 WeakPolarHBondContact O-CG 3.19Å; V20-K24 PolarHBondContact O-N 3.11Å; V20-V30 HydrophobicContact CB-CG1 4.35Å; V20-V30 HydrophobicContact CG1-CG1 4.08Å; V20-V30 HydrophobicContact CG2-CG1 3.96Å; V20-D40 HydrophobicContact CG1-CB 3.92Å; V20-A41 HydrophobicContact CG1-CB 4.02Å
21K98.8Very high98.4Very high120 Ų12037.6 Ų37.652%0.52221%0.209SC..Hα-helixtrans-57.8-42.1177.8-72.7179.5178.7-177.60112.5S17 V18 K24 S25 D40S17-K21 WeakPolarHBondContact O-CG 3.28Å; S17-K21 PolarHBondContact O-N 2.91Å; S17-K21 VanDerWaalsContact O-N 3.16Å; V18-K21 PolarHBondContact O-N 3.01Å; K21-K24 PolarHBondContact O-N 2.89Å; K21-S25 WeakPolarHBondContact O-CB 3.45Å; K21-S25 PolarHBondContact O-N 2.85Å; K21-S25 PolarHBondContact O-OG 3.27Å; K21-D40 WeakPolarHBondContact CE-OD2 3.14Å; K21-D40 HydrophobicContact CG-CB 4.21Å; K21-D40 IonicContact NZ-OD2 3.31Å
22H98.8Very high98.4Very high31 Ų3137.6 Ų37.614%0.14421%0.209CC..Hα-helixtrans-60.8-54.2178.4-17595.1000111V18 C19 V20 K24 S25 K26 A202 T206V18-H22 VanDerWaalsContact O-CB 3.32Å; V18-H22 WeakPolarHBondContact O-CB 3.35Å; V18-H22 PolarHBondContact O-N 3.42Å; C19-H22 PolarHBondContact O-N 2.82Å; V20-H22 VanDerWaalsContact C-N 3.29Å; V20-H22 PolarHBondContact O-N 3.12Å; H22-K24 VanDerWaalsContact C-N 3.33Å; H22-K24 PolarHBondContact O-N 3.09Å; H22-S25 PolarHBondContact O-N 3.42Å; H22-S25 VanDerWaalsContact O-N 3.16Å; H22-S25 PolarHBondContact O-OG 3.14Å; H22-K26 WeakPolarHBondContact O-CG 3.42Å; H22-K26 PolarHBondContact O-N 2.85Å; H22-A202 HydrophobicContact CB-CB 3.67Å; H22-T206 PolarHBondContact CD2-OG1 3.4Å; H22-T206 PolarHBondContact NE2-OG1 3.42Å
23F98.8Very high98.4Very high0 Ų032.5 Ų32.50%019%0.189CC..Hα-helixtrans-61.5-39.7179.1-78.8-59.6000112.6V6 L8 C19 V20 S25 K26 G27 Y28 V30 F77 F205 T206 L209V6-F23 HydrophobicContact CG1-CD1 4.34Å; V6-F23 HydrophobicContact CG1-CE1 4.27Å; V6-F23 HydrophobicContact CG1-CZ 4.48Å; V6-F23 HydrophobicContact CG2-CB 4.03Å; V6-F23 HydrophobicContact CG2-CD1 4.31Å; V6-F23 HydrophobicContact CG2-CD2 3.96Å; V6-F23 HydrophobicContact CG2-CG 3.85Å; L8-F23 HydrophobicContact CD2-CD2 3.97Å; L8-F23 HydrophobicContact CD2-CE2 4.22Å; C19-F23 HydrophobicContact CB-CD2 4.48Å; C19-F23 WeakPolarHBondContact O-CD2 3.44Å; C19-F23 PolarHBondContact O-N 2.81Å; V20-F23 PolarHBondContact O-N 3.14Å; F23-S25 PolarHBondContact O-N 3.33Å; F23-K26 CarbonylContact O-C 3.59Å; F23-K26 PolarHBondContact O-N 2.72Å; F23-K26 VanDerWaalsContact O-N 3.11Å; F23-G27 PolarHBondContact O-N 3.32Å; F23-Y28 HydrophobicContact CB-CD2 4.48Å; F23-Y28 HydrophobicContact CB-CG 4.38Å; F23-Y28 HydrophobicContact CD1-CD1 4.26Å; F23-Y28 AromaticContact CD1-CD2 3.9Å; F23-Y28 HydrophobicContact CD1-CD2 3.9Å; F23-Y28 HydrophobicContact CD1-CE1 4.47Å; F23-Y28 HydrophobicContact CD1-CE2 4.14Å; F23-Y28 AromaticContact CD1-CG 3.97Å; F23-Y28 HydrophobicContact CD1-CG 3.97Å; F23-Y28 WeakPolarHBondContact O-CB 3.14Å; F23-Y28 WeakPolarHBondContact O-CD2 3.49Å; F23-Y28 PolarHBondContact O-N 2.76Å; F23-Y28 VanDerWaalsContact O-N 3.1Å; F23-V30 HydrophobicContact CB-CG2 3.7Å; F23-F77 HydrophobicContact CE1-CE2 4.31Å; F23-F77 HydrophobicContact CE1-CZ 4.49Å; F23-F77 AromaticContact CE2-CD2 3.85Å; F23-F77 HydrophobicContact CE2-CD2 3.85Å; F23-F77 AromaticContact CE2-CE2 3.71Å; F23-F77 HydrophobicContact CE2-CE2 3.71Å; F23-F77 HydrophobicContact CE2-CG 4.48Å; F23-F77 HydrophobicContact CE2-CZ 4.24Å; F23-F77 HydrophobicContact CZ-CD2 4.05Å; F23-F77 HydrophobicContact CZ-CE1 4.35Å; F23-F77 AromaticContact CZ-CE2 3.42Å; F23-F77 HydrophobicContact CZ-CE2 3.42Å; F23-F77 VanDerWaalsContact CZ-CE2 3.42Å; F23-F77 AromaticContact CZ-CZ 3.61Å; F23-F77 HydrophobicContact CZ-CZ 3.61Å; F23-F205 HydrophobicContact CE2-CB 4.37Å; F23-F205 HydrophobicContact CZ-CB 3.87Å; F23-T206 WeakPolarHBondContact CE1-OG1 3.14Å; F23-L209 HydrophobicContact CE1-CD2 3.8Å; F23-L209 HydrophobicContact CZ-CD2 4.36Å
24K98.5Very high98.5Very high65 Ų6532.2 Ų32.228%0.28318%0.18SC..Hα-helixtrans-61-43.3173.9-70.3-61.1-57.9163.80112.6V20 K21 H22 K26 G27 Y28 V30 D40 D42V20-K24 HydrophobicContact CG1-CG 4.31Å; V20-K24 WeakPolarHBondContact O-CB 3.47Å; V20-K24 VanDerWaalsContact O-CG 3.25Å; V20-K24 WeakPolarHBondContact O-CG 3.19Å; V20-K24 PolarHBondContact O-N 3.11Å; K21-K24 PolarHBondContact O-N 2.89Å; H22-K24 VanDerWaalsContact C-N 3.33Å; H22-K24 PolarHBondContact O-N 3.09Å; K24-K26 PolarHBondContact O-N 3.25Å; K24-G27 PolarHBondContact O-N 2.62Å; K24-Y28 PolarHBondContact NZ-O 2.86Å; K24-V30 HydrophobicContact CD-CB 3.91Å; K24-V30 HydrophobicContact CD-CG2 3.57Å; K24-V30 HydrophobicContact CG-CB 4.37Å; K24-V30 HydrophobicContact CG-CG2 3.88Å; K24-D40 VanDerWaalsContact CG-O 3.27Å; K24-D40 WeakPolarHBondContact CG-O 3.24Å; K24-D42 WeakPolarHBondContact CD-OD2 3.37Å; K24-D42 WeakPolarHBondContact CE-OD2 3.2Å; K24-D42 IonicContact NZ-OD1 2.96Å; K24-D42 PolarHBondContact NZ-OD1 2.87Å; K24-D42 IonicContact NZ-OD2 3.87Å; K24-D42 PolarHBondContact NZ-OD2 3.46Å
25S98.2Very high98.5Very high95 Ų9534.5 Ų34.566%0.66419%0.185SC*.Hα-helixtrans-65.3-19.9176.773.20000113.4K21 H22 F23K21-S25 WeakPolarHBondContact O-CB 3.45Å; K21-S25 PolarHBondContact O-N 2.85Å; K21-S25 PolarHBondContact O-OG 3.27Å; H22-S25 PolarHBondContact O-N 3.42Å; H22-S25 VanDerWaalsContact O-N 3.16Å; H22-S25 PolarHBondContact O-OG 3.14Å; F23-S25 PolarHBondContact O-N 3.33Å
26K97.6Very high98.5Very high118 Ų11839.9 Ų39.951%0.51321%0.209SC..THydrogen-bonded Turntrans-91.72.7173.6-62.6-71.1-176.4170.40113.5H22 F23 K24 Y28H22-K26 WeakPolarHBondContact O-CG 3.42Å; H22-K26 PolarHBondContact O-N 2.85Å; F23-K26 CarbonylContact O-C 3.59Å; F23-K26 PolarHBondContact O-N 2.72Å; F23-K26 VanDerWaalsContact O-N 3.11Å; K24-K26 PolarHBondContact O-N 3.25Å; K26-Y28 HydrophobicContact CB-CD2 3.65Å; K26-Y28 HydrophobicContact CB-CE2 3.69Å
27G97.3Very high98.5Very high54 Ų5445.9 Ų45.956%0.55724%0.237SC*.THydrogen-bonded Turntrans81.216.5176.100000115.1C3 F23 K24C3-G27 PolarHBondContact SG-O 2.9Å; F23-G27 PolarHBondContact O-N 3.32Å; K24-G27 PolarHBondContact O-N 2.62Å
28Y98.5Very high98.5Very high10 Ų1044.6 Ų44.64%0.03923%0.228CC..  trans-74.4152173.2-71-105000111.1K4 V6 F23 K24 K26 L209 E210K4-Y28 HydrophobicContact CB-CD1 3.46Å; K4-Y28 VanDerWaalsContact CB-CD1 3.46Å; K4-Y28 HydrophobicContact CB-CE1 3.34Å; K4-Y28 HydrophobicContact CD-CE1 3.6Å; K4-Y28 HydrophobicContact CG-CE1 4.11Å; V6-Y28 HydrophobicContact CG1-CD1 3.82Å; V6-Y28 HydrophobicContact CG1-CE1 4.28Å; F23-Y28 HydrophobicContact CB-CD2 4.48Å; F23-Y28 HydrophobicContact CB-CG 4.38Å; F23-Y28 HydrophobicContact CD1-CD1 4.26Å; F23-Y28 AromaticContact CD1-CD2 3.9Å; F23-Y28 HydrophobicContact CD1-CD2 3.9Å; F23-Y28 HydrophobicContact CD1-CE1 4.47Å; F23-Y28 HydrophobicContact CD1-CE2 4.14Å; F23-Y28 AromaticContact CD1-CG 3.97Å; F23-Y28 HydrophobicContact CD1-CG 3.97Å; F23-Y28 WeakPolarHBondContact O-CB 3.14Å; F23-Y28 WeakPolarHBondContact O-CD2 3.49Å; F23-Y28 PolarHBondContact O-N 2.76Å; F23-Y28 VanDerWaalsContact O-N 3.1Å; K24-Y28 PolarHBondContact NZ-O 2.86Å; K26-Y28 HydrophobicContact CB-CD2 3.65Å; K26-Y28 HydrophobicContact CB-CE2 3.69Å; Y28-L209 HydrophobicContact CD1-CD2 4.1Å; Y28-L209 HydrophobicContact CE1-CD2 3.34Å; Y28-L209 HydrophobicContact CE1-CG 4.23Å; Y28-E210 VanDerWaalsContact OH-CD 3.32Å; Y28-E210 WeakPolarHBondContact OH-CG 3.47Å; Y28-E210 PolarHBondContact OH-OE1 3.27Å
29W98.5Very high98.5Very high39 Ų3948.3 Ų48.315%0.14825%0.253CS..EExtended strand (participates in β ladder)trans-81.9130.1159.8179.994.3000108.5C3 K4 R5 V6 C31 D42 E43 F67 L68C3-W29 PolarHBondContact SG-N 3.3Å; K4-W29 PolarHBondContact O-N 2.61Å; R5-W29 WeakPolarHBondContact CA-O 3.3Å; R5-W29 HydrophobicContact CB-CE3 3.81Å; R5-W29 HydrophobicContact CB-CZ3 4.35Å; R5-W29 HydrophobicContact CG-CB 4.04Å; R5-W29 HydrophobicContact CG-CD2 4.06Å; R5-W29 HydrophobicContact CG-CE3 3.64Å; R5-W29 HydrophobicContact CG-CG 4.28Å; R5-W29 HydrophobicContact CG-CZ3 4.36Å; V6-W29 PolarHBondContact N-O 3.33Å; W29-C31 HydrophobicContact CE3-CB 4.47Å; W29-C31 HydrophobicContact CH2-CB 3.56Å; W29-C31 HydrophobicContact CZ2-CB 4.47Å; W29-C31 HydrophobicContact CZ3-CB 3.54Å; W29-D42 VanDerWaalsContact CA-OD2 3.32Å; W29-D42 WeakPolarHBondContact CA-OD2 3.38Å; W29-D42 HydrophobicContact CG-CB 4.28Å; W29-E43 HydrophobicContact CH2-CB 4.46Å; W29-E43 HydrophobicContact CH2-CG 4.26Å; W29-E43 HydrophobicContact CZ2-CB 4.01Å; W29-E43 HydrophobicContact CZ2-CG 3.4Å; W29-F67 HydrophobicContact CH2-CB 4.21Å; W29-F67 HydrophobicContact CZ2-CB 4.13Å; W29-L68 HydrophobicContact CH2-CD2 3.89Å; W29-L68 HydrophobicContact CZ3-CD2 3.94Å
30V98.9Very high98.5Very high0 Ų051.6 Ų51.60%027%0.271CS..EExtended strand (participates in β ladder)trans-126.4120.9-171.8-176.30000110.1V6 L8 V20 F23 K24 A41 D42 E43V6-V30 HydrophobicContact CG2-CB 4.23Å; V6-V30 HydrophobicContact CG2-CG1 4.19Å; V6-V30 HydrophobicContact CG2-CG2 3.69Å; V6-V30 WeakPolarHBondContact O-CA 3.46Å; L8-V30 HydrophobicContact CD2-CG1 4.04Å; L8-V30 HydrophobicContact CG-CG1 4.48Å; V20-V30 HydrophobicContact CB-CG1 4.35Å; V20-V30 HydrophobicContact CG1-CG1 4.08Å; V20-V30 HydrophobicContact CG2-CG1 3.96Å; F23-V30 HydrophobicContact CB-CG2 3.7Å; K24-V30 HydrophobicContact CD-CB 3.91Å; K24-V30 HydrophobicContact CD-CG2 3.57Å; K24-V30 HydrophobicContact CG-CB 4.37Å; K24-V30 HydrophobicContact CG-CG2 3.88Å; V30-A41 HydrophobicContact CG1-CB 4.42Å; V30-D42 PolarHBondContact N-OD2 3.47Å; V30-D42 PolarHBondContact O-N 3.4Å; V30-E43 PolarHBondContact O-N 2.88Å
31C98.9Very high98.5Very high0 Ų052.3 Ų52.30%028%0.276CS..EExtended strand (participates in β ladder)trans-98.9128.2164.4-179.50000109.8V6 L7 L8 W29 E43 L64V6-C31 PolarHBondContact O-N 2.82Å; L7-C31 WeakPolarHBondContact CA-O 3.29Å; L7-C31 HydrophobicContact CD1-CB 3.72Å; L8-C31 PolarHBondContact N-O 3.19Å; W29-C31 HydrophobicContact CE3-CB 4.47Å; W29-C31 HydrophobicContact CH2-CB 3.56Å; W29-C31 HydrophobicContact CZ2-CB 4.47Å; W29-C31 HydrophobicContact CZ3-CB 3.54Å; C31-E43 CarbonylContact C-O 3.56Å; C31-E43 WeakPolarHBondContact CA-O 3.4Å; C31-E43 HydrophobicContact CB-CB 4.38Å; C31-L64 HydrophobicContact CB-CD2 4.43Å
32S98.9Very high98.5Very high0 Ų049.6 Ų49.60%027%0.268CS..EExtended strand (participates in β ladder)trans-101130.2173.8175.50000110.2G11 E43 N44 V45G11-S32 WeakPolarHBondContact CA-OG 3.34Å; S32-E43 PolarHBondContact N-O 3.41Å; S32-N44 WeakPolarHBondContact CB-OD1 3.47Å; S32-N44 WeakPolarHBondContact O-CA 3.44Å; S32-V45 PolarHBondContact O-N 3.14Å
33V98.9Very high98.5Very high0 Ų051.3 Ų51.30%028%0.275CS..EExtended strand (participates in β ladder)trans-112.1117.3170-175.80000107.9L7 L8 H9 G10 G11 V45 I47 V60L7-V33 HydrophobicContact CD1-CG2 3.53Å; L7-V33 HydrophobicContact CD2-CG2 4.49Å; L7-V33 HydrophobicContact CG-CG2 4.2Å; L8-V33 PolarHBondContact O-N 3.06Å; H9-V33 HydrophobicContact CB-CB 4.48Å; G10-V33 PolarHBondContact N-O 2.94Å; G11-V33 PolarHBondContact N-O 3.5Å; V33-V45 WeakPolarHBondContact CA-O 3.47Å; V33-V45 HydrophobicContact CG1-CB 4.48Å; V33-V45 HydrophobicContact CG2-CB 4.17Å; V33-V45 HydrophobicContact CG2-CG2 4.47Å; V33-I47 HydrophobicContact CG1-CD1 4.32Å; V33-I47 HydrophobicContact CG1-CG1 4.42Å; V33-I47 HydrophobicContact CG1-CG2 3.95Å; V33-V60 HydrophobicContact CG1-CG1 4.15Å; V33-V60 HydrophobicContact CG1-CG2 3.63Å; V33-V60 HydrophobicContact CG2-CG1 3.8Å
34D98.7Very high98.5Very high26 Ų2652.9 Ų52.914%0.13928%0.284CS..EExtended strand (participates in β ladder)trans-162.8177.1179.2-147.1-61.3000110.4G10 G11 R12 G13 Q36 V45 V46 I47G10-D34 WeakPolarHBondContact CA-OD2 3.07Å; G11-D34 PolarHBondContact N-OD2 2.8Å; R12-D34 WeakPolarHBondContact CA-OD2 3.45Å; R12-D34 HydrophobicContact CB-CB 3.7Å; R12-D34 VanDerWaalsContact CB-CG 3.45Å; R12-D34 WeakPolarHBondContact CB-OD2 3.49Å; R12-D34 PolarHBondContact N-OD2 3.09Å; G13-D34 PolarHBondContact N-OD2 3.21Å; D34-Q36 PolarHBondContact O-N 3.15Å; D34-V45 PolarHBondContact N-O 3.38Å; D34-V46 WeakPolarHBondContact O-CA 3.26Å; D34-I47 VanDerWaalsContact C-CG1 3.48Å; D34-I47 VanDerWaalsContact O-CG1 3.29Å; D34-I47 WeakPolarHBondContact O-CG1 3.19Å; D34-I47 PolarHBondContact O-N 3.35Å
35F97.4Very high98.5Very high95 Ų9550.2 Ų50.242%0.41727%0.273SS..SBendtrans-74-10174.1-62.7-74.8000113.4I47 V49F35-I47 WeakPolarHBondContact CA-O 3.47Å; F35-I47 HydrophobicContact CD1-CG1 4.15Å; F35-I47 VanDerWaalsContact CD1-O 3.29Å; F35-I47 WeakPolarHBondContact CD1-O 3.3Å; F35-I47 HydrophobicContact CE1-CD1 4.23Å; F35-I47 HydrophobicContact CE1-CG1 4.28Å; F35-I47 HydrophobicContact CZ-CD1 4.29Å; F35-V49 HydrophobicContact CD1-CG2 4.44Å; F35-V49 HydrophobicContact CE1-CG2 3.8Å; F35-V49 HydrophobicContact CZ-CG2 4.3Å
36Q98.1Very high98.5Very high125 Ų12548.8 Ų48.858%0.58426%0.26SS*.SBendtrans-142.8149.2178.5-68.4-179.512.300109.5R12 D34R12-Q36 HydrophobicContact CG-CB 4.07Å; D34-Q36 PolarHBondContact O-N 3.15Å
37E98.6Very high98.5Very high128 Ų12843.5 Ų43.560%0.59824%0.238SC*.  trans-61.1140.1174.7-62.1-177.117000111.4R12 N44 V46R12-E37 VanDerWaalsContact CD-O 3.25Å; R12-E37 WeakPolarHBondContact CD-O 3.09Å; R12-E37 PolarHBondContact NE-O 3.45Å; E37-N44 WeakPolarHBondContact CA-OD1 3.2Å; E37-N44 HydrophobicContact CB-CB 4.27Å; E37-N44 HydrophobicContact CG-CB 3.95Å; E37-V46 HydrophobicContact CG-CG2 3.51Å
38N98.7Very high98.3Very high2 Ų247.6 Ų47.61%0.01124%0.242CC..  trans-96.3111.9161.7-172.1-26.1000108.5G11 D40 A41 N44G11-N38 PolarHBondContact O-ND2 3.1Å; N38-D40 PolarHBondContact O-N 3.22Å; N38-D40 WeakPolarHBondContact OD1-CB 3.34Å; N38-D40 PolarHBondContact OD1-N 3.24Å; N38-D40 PolarHBondContact OD1-OD2 3.42Å; N38-A41 HydrophobicContact CB-CB 4.36Å; N38-A41 PolarHBondContact O-N 2.64Å; N38-A41 VanDerWaalsContact O-N 3.12Å; N38-N44 PolarHBondContact N-OD1 2.96Å; N38-N44 PolarHBondContact O-ND2 3.37Å; N38-N44 VanDerWaalsContact O-ND2 3.07Å; N38-N44 PolarHBondContact O-OD1 3.17Å
39P98.4Very high97.9Very high107 Ų10753 Ų5370%0.69528%0.276SS*.THydrogen-bonded Turntrans-68.1-13.8-177.529.7-36.8000113.5
40D98.7Very high97.5Very high69 Ų6953.1 Ų53.137%0.36928%0.279SS..THydrogen-bonded Turntrans-83-17.6176-58.6-60.3000112.2V20 K21 K24 N38V20-D40 HydrophobicContact CG1-CB 3.92Å; K21-D40 WeakPolarHBondContact CE-OD2 3.14Å; K21-D40 HydrophobicContact CG-CB 4.21Å; K21-D40 IonicContact NZ-OD2 3.31Å; K24-D40 VanDerWaalsContact CG-O 3.27Å; K24-D40 WeakPolarHBondContact CG-O 3.24Å; N38-D40 PolarHBondContact O-N 3.22Å; N38-D40 WeakPolarHBondContact OD1-CB 3.34Å; N38-D40 PolarHBondContact OD1-N 3.24Å; N38-D40 PolarHBondContact OD1-OD2 3.42Å
41A98.8Very high97.1Very high14 Ų1460.4 Ų60.412%0.11631%0.313CS..SBendtrans-79.2155.7-179.600000112.2V20 V30 N38V20-A41 HydrophobicContact CG1-CB 4.02Å; V30-A41 HydrophobicContact CG1-CB 4.42Å; N38-A41 HydrophobicContact CB-CB 4.36Å; N38-A41 PolarHBondContact O-N 2.64Å; N38-A41 VanDerWaalsContact O-N 3.12Å
42D98.7Very high97Very high64 Ų6461.9 Ų61.934%0.34232%0.323SS..SBendtrans-72.8-40.6174.7-60.6-82.5000111.4K24 W29 V30K24-D42 WeakPolarHBondContact CD-OD2 3.37Å; K24-D42 WeakPolarHBondContact CE-OD2 3.2Å; K24-D42 IonicContact NZ-OD1 2.96Å; K24-D42 PolarHBondContact NZ-OD1 2.87Å; K24-D42 IonicContact NZ-OD2 3.87Å; K24-D42 PolarHBondContact NZ-OD2 3.46Å; W29-D42 VanDerWaalsContact CA-OD2 3.32Å; W29-D42 WeakPolarHBondContact CA-OD2 3.38Å; W29-D42 HydrophobicContact CG-CB 4.28Å; V30-D42 PolarHBondContact N-OD2 3.47Å; V30-D42 PolarHBondContact O-N 3.4Å
43E98.7Very high96.9Very high66 Ų6663.8 Ų63.831%0.30834%0.337SS..EExtended strand (participates in β ladder)trans-134.1150178.7-61.3-61.6174.700111.1W29 V30 C31 S32 F67W29-E43 HydrophobicContact CH2-CB 4.46Å; W29-E43 HydrophobicContact CH2-CG 4.26Å; W29-E43 HydrophobicContact CZ2-CB 4.01Å; W29-E43 HydrophobicContact CZ2-CG 3.4Å; V30-E43 PolarHBondContact O-N 2.88Å; C31-E43 CarbonylContact C-O 3.56Å; C31-E43 WeakPolarHBondContact CA-O 3.4Å; C31-E43 HydrophobicContact CB-CB 4.38Å; S32-E43 PolarHBondContact N-O 3.41Å; E43-F67 HydrophobicContact CB-CD1 4.24Å; E43-F67 HydrophobicContact CB-CD2 3.79Å; E43-F67 HydrophobicContact CB-CE1 4.43Å; E43-F67 HydrophobicContact CB-CE2 3.97Å; E43-F67 HydrophobicContact CB-CG 3.94Å; E43-F67 HydrophobicContact CB-CZ 4.3Å; E43-F67 HydrophobicContact CG-CB 4.07Å; E43-F67 HydrophobicContact CG-CD1 3.85Å; E43-F67 HydrophobicContact CG-CD2 4.18Å; E43-F67 HydrophobicContact CG-CE1 4.33Å; E43-F67 HydrophobicContact CG-CG 3.78Å; E43-F67 WeakPolarHBondContact OE2-CD1 3.41Å; E43-F67 VanDerWaalsContact OE2-CE1 3.23Å; E43-F67 WeakPolarHBondContact OE2-CE1 3.47Å
44N98.8Very high96.8Very high34 Ų3467.4 Ų67.418%0.18236%0.362CS..EExtended strand (participates in β ladder)trans-127.7127.1179-73.5-84.2000110.5S32 E37 N38S32-N44 WeakPolarHBondContact CB-OD1 3.47Å; S32-N44 WeakPolarHBondContact O-CA 3.44Å; E37-N44 WeakPolarHBondContact CA-OD1 3.2Å; E37-N44 HydrophobicContact CB-CB 4.27Å; E37-N44 HydrophobicContact CG-CB 3.95Å; N38-N44 PolarHBondContact N-OD1 2.96Å; N38-N44 PolarHBondContact O-ND2 3.37Å; N38-N44 VanDerWaalsContact O-ND2 3.07Å; N38-N44 PolarHBondContact O-OD1 3.17Å
45V98.7Very high96.7Very high8 Ų867.2 Ų67.25%0.04836%0.364CS..EExtended strand (participates in β ladder)trans-102.6103.3162.6-176.70000107.4S32 V33 D34 I47 V59 V60 F67S32-V45 PolarHBondContact O-N 3.14Å; V33-V45 WeakPolarHBondContact CA-O 3.47Å; V33-V45 HydrophobicContact CG1-CB 4.48Å; V33-V45 HydrophobicContact CG2-CB 4.17Å; V33-V45 HydrophobicContact CG2-CG2 4.47Å; D34-V45 PolarHBondContact N-O 3.38Å; V45-I47 HydrophobicContact CG1-CG2 4.36Å; V45-I47 PolarHBondContact O-N 3.49Å; V45-V59 HydrophobicContact CG1-CG1 4.3Å; V45-V60 HydrophobicContact CG1-CB 4.43Å; V45-V60 HydrophobicContact CG1-CG2 4.32Å; V45-F67 HydrophobicContact CG2-CD2 4.17Å; V45-F67 HydrophobicContact CG2-CE2 3.74Å
46V98.4Very high96.7Very high66 Ų6663.2 Ų63.240%0.435%0.347SS..EExtended strand (participates in β ladder)trans-79.9119.2175.1-175.50000108.8D34 E37D34-V46 WeakPolarHBondContact O-CA 3.26Å; E37-V46 HydrophobicContact CG-CG2 3.51Å
47I97.2Very high96.8Very high7 Ų759.2 Ų59.24%0.03633%0.328CS..  trans-101.6158.3176.152.2165.4000110.8V33 D34 F35 V45 Q56 V59 V60V33-I47 HydrophobicContact CG1-CD1 4.32Å; V33-I47 HydrophobicContact CG1-CG1 4.42Å; V33-I47 HydrophobicContact CG1-CG2 3.95Å; D34-I47 VanDerWaalsContact C-CG1 3.48Å; D34-I47 VanDerWaalsContact O-CG1 3.29Å; D34-I47 WeakPolarHBondContact O-CG1 3.19Å; D34-I47 PolarHBondContact O-N 3.35Å; F35-I47 WeakPolarHBondContact CA-O 3.47Å; F35-I47 HydrophobicContact CD1-CG1 4.15Å; F35-I47 VanDerWaalsContact CD1-O 3.29Å; F35-I47 WeakPolarHBondContact CD1-O 3.3Å; F35-I47 HydrophobicContact CE1-CD1 4.23Å; F35-I47 HydrophobicContact CE1-CG1 4.28Å; F35-I47 HydrophobicContact CZ-CD1 4.29Å; V45-I47 HydrophobicContact CG1-CG2 4.36Å; V45-I47 PolarHBondContact O-N 3.49Å; I47-Q56 HydrophobicContact CB-CG 4.14Å; I47-Q56 HydrophobicContact CD1-CG 4.23Å; I47-Q56 HydrophobicContact CG2-CG 4.02Å; I47-V59 HydrophobicContact CG2-CG1 4.25Å; I47-V60 HydrophobicContact CG2-CG2 3.58Å
48E94.4Very high96.7Very high139 Ų13959.5 Ų59.565%0.6533%0.327SS*.  trans-114.9167.7173.8-65.4-178.3178.600110.7L50 Q56E48-L50 HydrophobicContact CB-CD2 4.25Å; E48-L50 HydrophobicContact CB-CG 4.44Å; E48-L50 PolarHBondContact O-N 3.45Å; E48-Q56 PolarHBondContact O-NE2 3.44Å
49V89.8Confident96.7Very high123 Ų12362.1 Ų62.175%0.74534%0.343SS*.  trans-73.7107168.9-179.90000107.3F35F35-V49 HydrophobicContact CD1-CG2 4.44Å; F35-V49 HydrophobicContact CE1-CG2 3.8Å; F35-V49 HydrophobicContact CZ-CG2 4.3Å
50L89.5Confident96.7Very high43 Ų4357 Ų5723%0.22531%0.31CS..  trans-111165.4-177.3-62.1175.3000111.3E48 S52 A55 Q56 V59E48-L50 HydrophobicContact CB-CD2 4.25Å; E48-L50 HydrophobicContact CB-CG 4.44Å; E48-L50 PolarHBondContact O-N 3.45Å; L50-S52 PolarHBondContact O-N 2.9Å; L50-A55 HydrophobicContact CB-CB 4.24Å; L50-A55 HydrophobicContact CD1-CB 4.09Å; L50-Q56 HydrophobicContact CD1-CB 4.14Å; L50-V59 HydrophobicContact CD1-CG2 4.08Å
51E90.4Very high96.7Very high153 Ų15355.8 Ų55.872%0.71530%0.301SS*.SBendtrans-67.2-20.6-17769.8-71.5160.300113.9A55E51-A55 VanDerWaalsContact OE1-CB 3.26Å; E51-A55 WeakPolarHBondContact OE1-CB 3.28Å
52S96.7Very high96.7Very high30 Ų3059.3 Ų59.321%0.2132%0.319CS..  trans-149153.6-177.968.50000113.3L50 S54 A55 Q56L50-S52 PolarHBondContact O-N 2.9Å; S52-S54 PolarHBondContact O-N 3.34Å; S52-S54 PolarHBondContact OG-OG 2.82Å; S52-A55 PolarHBondContact O-N 2.81Å; S52-A55 WeakPolarHBondContact OG-CB 3.39Å; S52-A55 PolarHBondContact OG-N 2.84Å; S52-A55 VanDerWaalsContact OG-N 3.09Å; S52-Q56 PolarHBondContact O-N 3.26Å
53S96.5Very high96.7Very high40 Ų4057 Ų5728%0.2831%0.309SS..Hα-helixtrans-61.9-31.917154.40000112.6Q56 E57S53-Q56 PolarHBondContact O-N 3Å; S53-E57 VanDerWaalsContact O-CB 3.26Å; S53-E57 WeakPolarHBondContact O-CB 3.36Å; S53-E57 PolarHBondContact O-N 2.74Å
54S97.5Very high96.7Very high76 Ų7653.8 Ų53.853%0.53129%0.294SS..Hα-helixtrans-67.7-38.1176440000113.1S52 E57 K58S52-S54 PolarHBondContact O-N 3.34Å; S52-S54 PolarHBondContact OG-OG 2.82Å; S54-E57 PolarHBondContact O-N 3.03Å; S54-K58 PolarHBondContact O-N 2.87Å; S54-K58 VanDerWaalsContact O-N 3.08Å
55A97.9Very high96.7Very high22 Ų2255.6 Ų55.618%0.18230%0.304CS..Hα-helixtrans-65.4-43.5174.800000110.7L50 E51 S52 K58 V59L50-A55 HydrophobicContact CB-CB 4.24Å; L50-A55 HydrophobicContact CD1-CB 4.09Å; E51-A55 VanDerWaalsContact OE1-CB 3.26Å; E51-A55 WeakPolarHBondContact OE1-CB 3.28Å; S52-A55 PolarHBondContact O-N 2.81Å; S52-A55 WeakPolarHBondContact OG-CB 3.39Å; S52-A55 PolarHBondContact OG-N 2.84Å; S52-A55 VanDerWaalsContact OG-N 3.09Å; A55-K58 WeakPolarHBondContact O-CB 3.26Å; A55-K58 PolarHBondContact O-N 2.64Å; A55-V59 PolarHBondContact O-N 3Å
56Q97.5Very high96.6Very high12 Ų1260 Ų606%0.05633%0.331CS..Hα-helixtrans-65.6-42.1176.2-167.8172.577.700112.3I47 E48 L50 S52 S53 K58 V59 V60 I110I47-Q56 HydrophobicContact CB-CG 4.14Å; I47-Q56 HydrophobicContact CD1-CG 4.23Å; I47-Q56 HydrophobicContact CG2-CG 4.02Å; E48-Q56 PolarHBondContact O-NE2 3.44Å; L50-Q56 HydrophobicContact CD1-CB 4.14Å; S52-Q56 PolarHBondContact O-N 3.26Å; S53-Q56 PolarHBondContact O-N 3Å; Q56-K58 VanDerWaalsContact C-N 3.28Å; Q56-K58 PolarHBondContact O-N 3.46Å; Q56-V59 WeakPolarHBondContact O-CB 3.43Å; Q56-V59 PolarHBondContact O-N 3.1Å; Q56-V59 VanDerWaalsContact O-N 3.17Å; Q56-V60 WeakPolarHBondContact O-CG2 3.38Å; Q56-V60 PolarHBondContact O-N 3.43Å; Q56-V60 VanDerWaalsContact O-N 3.09Å; Q56-I110 HydrophobicContact CB-CD1 4Å; Q56-I110 HydrophobicContact CG-CD1 4.04Å; Q56-I110 VanDerWaalsContact OE1-CD1 3.25Å
57E98.3Very high96.6Very high41 Ų4159.7 Ų59.719%0.19232%0.324CS..Hα-helixtrans-55.6-42.9173.7-174.1-131.7-14000112.1S53 S54 V59 V60 K61 I110 S113S53-E57 VanDerWaalsContact O-CB 3.26Å; S53-E57 WeakPolarHBondContact O-CB 3.36Å; S53-E57 PolarHBondContact O-N 2.74Å; S54-E57 PolarHBondContact O-N 3.03Å; E57-V59 VanDerWaalsContact C-N 3.34Å; E57-V59 PolarHBondContact O-N 2.77Å; E57-V60 PolarHBondContact O-N 2.89Å; E57-K61 VanDerWaalsContact CD-CE 3.42Å; E57-K61 HydrophobicContact CG-CD 4.09Å; E57-K61 HydrophobicContact CG-CG 4.41Å; E57-K61 WeakPolarHBondContact O-CB 3.36Å; E57-K61 WeakPolarHBondContact O-CG 3.26Å; E57-K61 PolarHBondContact O-N 3.18Å; E57-K61 WeakPolarHBondContact OE1-CE 3.12Å; E57-K61 IonicContact OE1-NZ 2.62Å; E57-K61 PolarHBondContact OE1-NZ 3.35Å; E57-K61 IonicContact OE2-NZ 3.32Å; E57-K61 PolarHBondContact OE2-NZ 2.87Å; E57-I110 HydrophobicContact CB-CG1 4.16Å; E57-I110 HydrophobicContact CB-CG2 4.41Å; E57-I110 HydrophobicContact CG-CG2 4.46Å; E57-S113 WeakPolarHBondContact OE1-CB 3.48Å; E57-S113 PolarHBondContact OE1-OG 3.43Å
58K98.3Very high96.6Very high134 Ų13459.5 Ų59.558%0.58332%0.323SS*.Hα-helixtrans-61.3-41.6177.9-173178.5179.7-178.20112.1S54 A55 Q56 K61 N62S54-K58 PolarHBondContact O-N 2.87Å; S54-K58 VanDerWaalsContact O-N 3.08Å; A55-K58 WeakPolarHBondContact O-CB 3.26Å; A55-K58 PolarHBondContact O-N 2.64Å; Q56-K58 VanDerWaalsContact C-N 3.28Å; Q56-K58 PolarHBondContact O-N 3.46Å; K58-K61 PolarHBondContact O-N 3.4Å; K58-N62 WeakPolarHBondContact O-CB 3.18Å; K58-N62 PolarHBondContact O-N 3.27Å; K58-N62 PolarHBondContact O-ND2 3.21Å; K58-N62 PolarHBondContact O-OD1 3.48Å
59V98.2Very high96.5Very high57 Ų5757.7 Ų57.735%0.34533%0.326SS..Hα-helixtrans-60.3-48.7175.1175.40000110.4V45 I47 L50 A55 Q56 E57 K61 N62 G63V45-V59 HydrophobicContact CG1-CG1 4.3Å; I47-V59 HydrophobicContact CG2-CG1 4.25Å; L50-V59 HydrophobicContact CD1-CG2 4.08Å; A55-V59 PolarHBondContact O-N 3Å; Q56-V59 WeakPolarHBondContact O-CB 3.43Å; Q56-V59 PolarHBondContact O-N 3.1Å; Q56-V59 VanDerWaalsContact O-N 3.17Å; E57-V59 VanDerWaalsContact C-N 3.34Å; E57-V59 PolarHBondContact O-N 2.77Å; V59-K61 PolarHBondContact O-N 3.06Å; V59-N62 PolarHBondContact O-N 2.98Å; V59-G63 PolarHBondContact O-N 2.69Å; V59-G63 VanDerWaalsContact O-N 3.13Å
60V98.7Very high96.7Very high0 Ų055.3 Ų55.30%033%0.326CS..Hα-helixtrans-63.8-43.2180-173.60000111.5V33 V45 I47 Q56 E57 N62 G63 L64 L114V33-V60 HydrophobicContact CG1-CG1 4.15Å; V33-V60 HydrophobicContact CG1-CG2 3.63Å; V33-V60 HydrophobicContact CG2-CG1 3.8Å; V45-V60 HydrophobicContact CG1-CB 4.43Å; V45-V60 HydrophobicContact CG1-CG2 4.32Å; I47-V60 HydrophobicContact CG2-CG2 3.58Å; Q56-V60 WeakPolarHBondContact O-CG2 3.38Å; Q56-V60 PolarHBondContact O-N 3.43Å; Q56-V60 VanDerWaalsContact O-N 3.09Å; E57-V60 PolarHBondContact O-N 2.89Å; V60-N62 PolarHBondContact O-N 3.11Å; V60-G63 PolarHBondContact O-N 3.13Å; V60-L64 HydrophobicContact CG1-CD1 3.97Å; V60-L64 HydrophobicContact CG1-CG 4.25Å; V60-L64 WeakPolarHBondContact O-CG 3.25Å; V60-L64 PolarHBondContact O-N 3.46Å; V60-L114 HydrophobicContact CB-CD1 4.34Å; V60-L114 HydrophobicContact CB-CD2 4.42Å; V60-L114 HydrophobicContact CG1-CD1 3.51Å; V60-L114 HydrophobicContact CG1-CD2 4.08Å; V60-L114 HydrophobicContact CG1-CG 4.43Å
61K98.5Very high97.1Very high42 Ų4257.8 Ų57.818%0.18334%0.337CS..Hα-helixtrans-59.4-44.9176.4-80.5179.8169172.80112.3E57 K58 V59 G63 L64 D65 S113 L114 Y118E57-K61 VanDerWaalsContact CD-CE 3.42Å; E57-K61 HydrophobicContact CG-CD 4.09Å; E57-K61 HydrophobicContact CG-CG 4.41Å; E57-K61 WeakPolarHBondContact O-CB 3.36Å; E57-K61 WeakPolarHBondContact O-CG 3.26Å; E57-K61 PolarHBondContact O-N 3.18Å; E57-K61 WeakPolarHBondContact OE1-CE 3.12Å; E57-K61 IonicContact OE1-NZ 2.62Å; E57-K61 PolarHBondContact OE1-NZ 3.35Å; E57-K61 IonicContact OE2-NZ 3.32Å; E57-K61 PolarHBondContact OE2-NZ 2.87Å; K58-K61 PolarHBondContact O-N 3.4Å; V59-K61 PolarHBondContact O-N 3.06Å; K61-G63 VanDerWaalsContact C-N 3.35Å; K61-G63 PolarHBondContact O-N 2.95Å; K61-L64 PolarHBondContact O-N 3.38Å; K61-D65 WeakPolarHBondContact O-CB 3.48Å; K61-D65 VanDerWaalsContact O-CG 3.23Å; K61-D65 PolarHBondContact O-N 3.46Å; K61-S113 PolarHBondContact NZ-OG 2.65Å; K61-L114 HydrophobicContact CG-CD2 3.73Å; K61-Y118 WeakPolarHBondContact CA-OH 3.44Å; K61-Y118 HydrophobicContact CG-CE2 3.97Å; K61-Y118 PolarHBondContact O-OH 2.98Å; K61-Y118 VanDerWaalsContact O-OH 3.06Å
62N98.4Very high97.4Very high89 Ų8955.5 Ų55.548%0.47632%0.324SS..Hα-helixtrans-62.6-42.2179.1-71-10.9000111.9K58 V59 V60 T66K58-N62 WeakPolarHBondContact O-CB 3.18Å; K58-N62 PolarHBondContact O-N 3.27Å; K58-N62 PolarHBondContact O-ND2 3.21Å; K58-N62 PolarHBondContact O-OD1 3.48Å; V59-N62 PolarHBondContact O-N 2.98Å; V60-N62 PolarHBondContact O-N 3.11Å; N62-T66 PolarHBondContact O-N 3.18Å; N62-T66 PolarHBondContact O-OG1 3.24Å
63G98.4Very high97.5Very high14 Ų1454 Ų5414%0.14431%0.314CS..Hα-helixtrans-62-49.5174.600000111.8V59 V60 K61 D65 T66 F67V59-G63 PolarHBondContact O-N 2.69Å; V59-G63 VanDerWaalsContact O-N 3.13Å; V60-G63 PolarHBondContact O-N 3.13Å; K61-G63 VanDerWaalsContact C-N 3.35Å; K61-G63 PolarHBondContact O-N 2.95Å; G63-D65 PolarHBondContact O-N 3.44Å; G63-T66 WeakPolarHBondContact O-CB 3.32Å; G63-T66 PolarHBondContact O-N 3.3Å; G63-F67 WeakPolarHBondContact O-CD2 3.42Å; G63-F67 VanDerWaalsContact O-CG 3.3Å; G63-F67 WeakPolarHBondContact O-CG 3.37Å; G63-F67 PolarHBondContact O-N 3.45Å
64L98.7Very high97.6Very high0 Ų053.9 Ų53.90%031%0.31CS..Hα-helixtrans-64.9-38.3179.5-68.4179.7000113.6L7 C31 V60 K61 T66 F67 L68 I73 L114 Y118L7-L64 HydrophobicContact CD1-CD1 4.42Å; L7-L64 HydrophobicContact CD1-CD2 3.75Å; L7-L64 HydrophobicContact CD2-CD1 3.95Å; C31-L64 HydrophobicContact CB-CD2 4.43Å; V60-L64 HydrophobicContact CG1-CD1 3.97Å; V60-L64 HydrophobicContact CG1-CG 4.25Å; V60-L64 WeakPolarHBondContact O-CG 3.25Å; V60-L64 PolarHBondContact O-N 3.46Å; K61-L64 PolarHBondContact O-N 3.38Å; L64-T66 PolarHBondContact O-N 2.49Å; L64-F67 PolarHBondContact O-N 2.83Å; L64-L68 HydrophobicContact CB-CD1 4.07Å; L64-L68 HydrophobicContact CD2-CD1 4.39Å; L64-L68 WeakPolarHBondContact O-CB 3.13Å; L64-L68 VanDerWaalsContact O-CG 3.3Å; L64-L68 WeakPolarHBondContact O-CG 3.35Å; L64-L68 PolarHBondContact O-N 3.47Å; L64-I73 HydrophobicContact CD1-CD1 4.44Å; L64-L114 HydrophobicContact CD1-CD1 4.2Å; L64-L114 HydrophobicContact CD1-CD2 3.97Å; L64-Y118 HydrophobicContact CB-CD1 4.41Å; L64-Y118 HydrophobicContact CB-CE1 3.96Å; L64-Y118 HydrophobicContact CB-CE2 4.19Å; L64-Y118 HydrophobicContact CD1-CD2 3.86Å; L64-Y118 HydrophobicContact CD1-CE2 3.9Å; L64-Y118 HydrophobicContact CD1-CG 4.35Å
65D98.3Very high97.7Very high72 Ų7250.2 Ų50.239%0.38529%0.285SS..Hα-helixtrans-59.7-38.6175.1-75.1-17.2000110.8K61 G63 S69 K117 Y118K61-D65 WeakPolarHBondContact O-CB 3.48Å; K61-D65 VanDerWaalsContact O-CG 3.23Å; K61-D65 PolarHBondContact O-N 3.46Å; G63-D65 PolarHBondContact O-N 3.44Å; D65-S69 PolarHBondContact O-N 3.43Å; D65-K117 WeakPolarHBondContact OD1-CE 3.35Å; D65-K117 IonicContact OD1-NZ 2.86Å; D65-K117 PolarHBondContact OD1-NZ 3.15Å; D65-K117 IonicContact OD2-NZ 2.76Å; D65-K117 PolarHBondContact OD2-NZ 3.23Å; D65-Y118 VanDerWaalsContact CG-OH 3.24Å; D65-Y118 WeakPolarHBondContact OD1-CE1 3.45Å; D65-Y118 VanDerWaalsContact OD1-CZ 3.29Å; D65-Y118 PolarHBondContact OD1-OH 3.34Å
66T97.8Very high97.7Very high99 Ų9949.2 Ų49.261%0.60728%0.276SS*.Hα-helixtrans-67.3-54.7176-54.50000111.3N62 G63 L64 S69N62-T66 PolarHBondContact O-N 3.18Å; N62-T66 PolarHBondContact O-OG1 3.24Å; G63-T66 WeakPolarHBondContact O-CB 3.32Å; G63-T66 PolarHBondContact O-N 3.3Å; L64-T66 PolarHBondContact O-N 2.49Å; T66-S69 PolarHBondContact O-OG 3.25Å
67F97.7Very high97.8Very high61 Ų6148.6 Ų48.627%0.26827%0.273SS..Hα-helixtrans-71.4-35.8-172.4-60.5-39.9000113.8W29 E43 V45 G63 L64W29-F67 HydrophobicContact CH2-CB 4.21Å; W29-F67 HydrophobicContact CZ2-CB 4.13Å; E43-F67 HydrophobicContact CB-CD1 4.24Å; E43-F67 HydrophobicContact CB-CD2 3.79Å; E43-F67 HydrophobicContact CB-CE1 4.43Å; E43-F67 HydrophobicContact CB-CE2 3.97Å; E43-F67 HydrophobicContact CB-CG 3.94Å; E43-F67 HydrophobicContact CB-CZ 4.3Å; E43-F67 HydrophobicContact CG-CB 4.07Å; E43-F67 HydrophobicContact CG-CD1 3.85Å; E43-F67 HydrophobicContact CG-CD2 4.18Å; E43-F67 HydrophobicContact CG-CE1 4.33Å; E43-F67 HydrophobicContact CG-CG 3.78Å; E43-F67 WeakPolarHBondContact OE2-CD1 3.41Å; E43-F67 VanDerWaalsContact OE2-CE1 3.23Å; E43-F67 WeakPolarHBondContact OE2-CE1 3.47Å; V45-F67 HydrophobicContact CG2-CD2 4.17Å; V45-F67 HydrophobicContact CG2-CE2 3.74Å; G63-F67 WeakPolarHBondContact O-CD2 3.42Å; G63-F67 VanDerWaalsContact O-CG 3.3Å; G63-F67 WeakPolarHBondContact O-CG 3.37Å; G63-F67 PolarHBondContact O-N 3.45Å; L64-F67 PolarHBondContact O-N 2.83Å
68L96.8Very high97.8Very high2 Ų246.7 Ų46.71%0.0126%0.264CS..Hα-helixtrans-84.1-27-176.6-64.3171000112.5W29 L64 G70 Q71 I73 Y118W29-L68 HydrophobicContact CH2-CD2 3.89Å; W29-L68 HydrophobicContact CZ3-CD2 3.94Å; L64-L68 HydrophobicContact CB-CD1 4.07Å; L64-L68 HydrophobicContact CD2-CD1 4.39Å; L64-L68 WeakPolarHBondContact O-CB 3.13Å; L64-L68 VanDerWaalsContact O-CG 3.3Å; L64-L68 WeakPolarHBondContact O-CG 3.35Å; L64-L68 PolarHBondContact O-N 3.47Å; L68-G70 PolarHBondContact O-N 3.33Å; L68-G70 VanDerWaalsContact O-N 3.1Å; L68-Q71 WeakPolarHBondContact CB-O 3.42Å; L68-Q71 WeakPolarHBondContact O-CB 3.5Å; L68-Q71 VanDerWaalsContact O-CG 3.28Å; L68-Q71 WeakPolarHBondContact O-CG 3.43Å; L68-Q71 PolarHBondContact O-N 2.97Å; L68-I73 HydrophobicContact CD1-CD1 3.85Å; L68-I73 HydrophobicContact CD1-CG1 3.75Å; L68-I73 HydrophobicContact CD2-CG1 4Å; L68-Y118 HydrophobicContact CD1-CD1 3.56Å; L68-Y118 HydrophobicContact CD1-CE1 4.19Å; L68-Y118 HydrophobicContact CD1-CG 4.15Å
69S93.4Very high97.9Very high102 Ų10241.2 Ų41.271%0.71324%0.242SC*.THydrogen-bonded Turntrans47.443.2-178.4-67.60000112.7D65 T66D65-S69 PolarHBondContact O-N 3.43Å; T66-S69 PolarHBondContact O-OG 3.25Å
70G94Very high97.9Very high72 Ų7239.5 Ų39.574%0.74223%0.234SC*.THydrogen-bonded Turntrans86.9-6.7-178.400000116.1L68L68-G70 PolarHBondContact O-N 3.33Å; L68-G70 VanDerWaalsContact O-N 3.1Å
71Q96.6Very high97.7Very high96 Ų9641.4 Ų41.445%0.44925%0.254SS..PPolyproline II helixtrans-68.9151.3173.2-62.1180-40.300111.4R5 L68R5-Q71 VanDerWaalsContact NH2-NE2 3.16Å; L68-Q71 WeakPolarHBondContact CB-O 3.42Å; L68-Q71 WeakPolarHBondContact O-CB 3.5Å; L68-Q71 VanDerWaalsContact O-CG 3.28Å; L68-Q71 WeakPolarHBondContact O-CG 3.43Å; L68-Q71 PolarHBondContact O-N 2.97Å
72K97.8Very high97.5Very high104 Ų10440.4 Ų40.445%0.45226%0.256SS..PPolyproline II helixtrans-94.5158.8177.3-65-68.3-177164.70111.4R5 K117 Y118R5-K72 WeakPolarHBondContact CD-O 3.47Å; K72-K117 PolarHBondContact NZ-O 2.76Å; K72-Y118 WeakPolarHBondContact CA-O 3.4Å; K72-Y118 VanDerWaalsContact CD-O 3.25Å; K72-Y118 WeakPolarHBondContact CD-O 3.46Å
73I98.7Very high97.4Very high0 Ų043.7 Ų43.70%026%0.261CS..EExtended strand (participates in β ladder)trans-99.1134.6176.8-54.8176.3000108.4R5 L7 L64 L68 G75 I76 Y118 L119 S120R5-I73 WeakPolarHBondContact O-CG2 3.35Å; L7-I73 HydrophobicContact CB-CD1 4.07Å; L7-I73 HydrophobicContact CB-CG2 4.27Å; L7-I73 HydrophobicContact CD2-CD1 4.38Å; L64-I73 HydrophobicContact CD1-CD1 4.44Å; L68-I73 HydrophobicContact CD1-CD1 3.85Å; L68-I73 HydrophobicContact CD1-CG1 3.75Å; L68-I73 HydrophobicContact CD2-CG1 4Å; I73-G75 WeakPolarHBondContact CG2-O 3.39Å; I73-I76 HydrophobicContact CB-CG1 4.43Å; I73-I76 HydrophobicContact CD1-CD1 4.46Å; I73-I76 HydrophobicContact CD1-CG1 4.37Å; I73-I76 HydrophobicContact CG2-CG1 3.91Å; I73-Y118 HydrophobicContact CD1-CG 4.46Å; I73-Y118 PolarHBondContact N-O 3.44Å; I73-L119 CarbonylContact O-C 3.56Å; I73-S120 PolarHBondContact O-N 3.29Å; I73-S120 PolarHBondContact O-OG 3.31Å
74D98.7Very high97.3Very high36 Ų3645.1 Ų45.119%0.19327%0.267CS..EExtended strand (participates in β ladder)trans-84-31.2178.7-59.4-69000112.2K4 R5 G123 L124 L209K4-D74 WeakPolarHBondContact CA-OD2 3.41Å; K4-D74 HydrophobicContact CB-CB 4.4Å; K4-D74 WeakPolarHBondContact CB-OD2 3.4Å; K4-D74 HydrophobicContact CG-CB 4.49Å; R5-D74 PolarHBondContact N-OD2 3.13Å; R5-D74 WeakPolarHBondContact O-CB 3.26Å; R5-D74 PolarHBondContact O-N 3.47Å; D74-G123 CarbonylContact O-C 3.54Å; D74-G123 WeakPolarHBondContact O-CA 3.39Å; D74-L124 PolarHBondContact O-N 3.23Å; D74-L209 HydrophobicContact CB-CD1 4.14Å; D74-L209 VanDerWaalsContact O-CD1 3.24Å; D74-L209 WeakPolarHBondContact O-CD1 3.41Å
75G98.9Very high97.1Very high0 Ų046.3 Ų46.30%028%0.279CS..EExtended strand (participates in β ladder)trans-141.3131.2177.800000113.5R5 V6 L7 I73 L124R5-G75 PolarHBondContact O-N 2.76Å; V6-G75 CarbonylContact C-O 3.52Å; V6-G75 WeakPolarHBondContact CA-O 3.46Å; L7-G75 PolarHBondContact N-O 2.99Å; I73-G75 WeakPolarHBondContact CG2-O 3.39Å; G75-L124 CarbonylContact C-O 3.6Å; G75-L124 VanDerWaalsContact CA-O 3.26Å; G75-L124 WeakPolarHBondContact CA-O 3.44Å
76I98.9Very high97.1Very high0 Ų043.2 Ų43.20%026%0.264CS..EExtended strand (participates in β ladder)trans-114.9118.2169.5-63172.6000107.7L7 I73 A111 L114 A115 L119 L124 L125 V126L7-I76 HydrophobicContact CB-CB 4.49Å; L7-I76 HydrophobicContact CB-CG1 4.06Å; L7-I76 HydrophobicContact CB-CG2 4.44Å; L7-I76 HydrophobicContact CD2-CG1 4.29Å; L7-I76 HydrophobicContact CD2-CG2 4.09Å; I73-I76 HydrophobicContact CB-CG1 4.43Å; I73-I76 HydrophobicContact CD1-CD1 4.46Å; I73-I76 HydrophobicContact CD1-CG1 4.37Å; I73-I76 HydrophobicContact CG2-CG1 3.91Å; I76-A111 HydrophobicContact CG2-CB 4.21Å; I76-L114 HydrophobicContact CD1-CB 4.36Å; I76-A115 HydrophobicContact CD1-CB 3.93Å; I76-L119 HydrophobicContact CD1-CB 4.38Å; I76-L119 HydrophobicContact CD1-CD1 4.09Å; I76-L119 HydrophobicContact CG1-CD1 4.01Å; I76-L124 PolarHBondContact N-O 2.75Å; I76-L125 HydrophobicContact CB-CD1 3.93Å; I76-L125 HydrophobicContact CG2-CD1 3.71Å; I76-L125 CarbonylContact O-C 3.21Å; I76-L125 WeakPolarHBondContact O-CA 3.38Å; I76-V126 PolarHBondContact O-N 2.72Å
77F99Very high97.1Very high0 Ų041.8 Ų41.80%025%0.253CS..EExtended strand (participates in β ladder)trans-116.9107.9-177.9-57.1-85.1000109.1V6 L7 L8 H9 F23 V79 L124 V126 F205 L209V6-F77 HydrophobicContact CB-CD2 4.35Å; V6-F77 HydrophobicContact CB-CE2 4.11Å; V6-F77 HydrophobicContact CG1-CE2 3.84Å; L7-F77 PolarHBondContact O-N 3.07Å; L8-F77 HydrophobicContact CD1-CB 3.82Å; L8-F77 HydrophobicContact CD2-CD2 4.19Å; H9-F77 PolarHBondContact N-O 3.39Å; F23-F77 HydrophobicContact CE1-CE2 4.31Å; F23-F77 HydrophobicContact CE1-CZ 4.49Å; F23-F77 AromaticContact CE2-CD2 3.85Å; F23-F77 HydrophobicContact CE2-CD2 3.85Å; F23-F77 AromaticContact CE2-CE2 3.71Å; F23-F77 HydrophobicContact CE2-CE2 3.71Å; F23-F77 HydrophobicContact CE2-CG 4.48Å; F23-F77 HydrophobicContact CE2-CZ 4.24Å; F23-F77 HydrophobicContact CZ-CD2 4.05Å; F23-F77 HydrophobicContact CZ-CE1 4.35Å; F23-F77 AromaticContact CZ-CE2 3.42Å; F23-F77 HydrophobicContact CZ-CE2 3.42Å; F23-F77 VanDerWaalsContact CZ-CE2 3.42Å; F23-F77 AromaticContact CZ-CZ 3.61Å; F23-F77 HydrophobicContact CZ-CZ 3.61Å; F77-V79 PolarHBondContact O-N 3.43Å; F77-L124 HydrophobicContact CE1-CD2 4.06Å; F77-L124 HydrophobicContact CZ-CD2 4.28Å; F77-V126 HydrophobicContact CD1-CB 3.76Å; F77-V126 HydrophobicContact CD1-CG2 3.68Å; F77-V126 HydrophobicContact CE1-CB 4.26Å; F77-V126 HydrophobicContact CE1-CG2 3.64Å; F77-F205 HydrophobicContact CB-CD2 4.27Å; F77-F205 HydrophobicContact CB-CE2 4.14Å; F77-F205 HydrophobicContact CD1-CB 3.9Å; F77-F205 HydrophobicContact CD1-CD1 4.02Å; F77-F205 AromaticContact CD1-CD2 3.38Å; F77-F205 HydrophobicContact CD1-CD2 3.38Å; F77-F205 HydrophobicContact CD1-CE1 4.37Å; F77-F205 AromaticContact CD1-CE2 3.79Å; F77-F205 HydrophobicContact CD1-CE2 3.79Å; F77-F205 AromaticContact CD1-CG 3.5Å; F77-F205 HydrophobicContact CD1-CG 3.5Å; F77-F205 HydrophobicContact CD1-CZ 4.26Å; F77-F205 HydrophobicContact CE1-CB 3.47Å; F77-F205 VanDerWaalsContact CE1-CB 3.47Å; F77-F205 HydrophobicContact CE1-CD1 4.09Å; F77-F205 AromaticContact CE1-CD2 3.91Å; F77-F205 HydrophobicContact CE1-CD2 3.91Å; F77-F205 AromaticContact CE1-CG 3.57Å; F77-F205 HydrophobicContact CE1-CG 3.57Å; F77-F205 AromaticContact CG-CD2 3.93Å; F77-F205 HydrophobicContact CG-CD2 3.93Å; F77-F205 HydrophobicContact CG-CE2 4.25Å; F77-F205 HydrophobicContact CG-CG 4.44Å; F77-F205 HydrophobicContact CZ-CB 4.02Å; F77-L209 HydrophobicContact CE2-CD2 4.3Å; F77-L209 HydrophobicContact CZ-CB 4.46Å; F77-L209 HydrophobicContact CZ-CD2 4.23Å
78C98.9Very high97.2Very high0 Ų042.5 Ų42.50%027%0.27CS..EExtended strand (participates in β ladder)trans-93.694177.1-173.10000110.2H9 S107 A111 V126 L127 T128H9-C78 HydrophobicContact CB-CB 4.48Å; C78-S107 PolarHBondContact SG-O 3.47Å; C78-A111 HydrophobicContact CB-CB 3.61Å; C78-V126 PolarHBondContact N-O 3.27Å; C78-L127 HydrophobicContact CB-CD2 3.79Å; C78-T128 WeakPolarHBondContact O-CB 3.34Å; C78-T128 PolarHBondContact O-N 3.45Å; C78-T128 PolarHBondContact O-OG1 2.88Å
79V98.7Very high97.2Very high19 Ų1946.9 Ų46.912%0.11531%0.307CS..  trans-107.1-2.8177.1-62.20000112.7H9 L15 F77 G81 F205H9-V79 CarbonylContact O-C 3.58Å; H9-V79 WeakPolarHBondContact O-CG2 3.49Å; H9-V79 PolarHBondContact O-N 2.84Å; L15-V79 HydrophobicContact CD2-CB 3.91Å; L15-V79 HydrophobicContact CD2-CG1 3.57Å; L15-V79 HydrophobicContact CG-CB 4.18Å; L15-V79 HydrophobicContact CG-CG1 4.02Å; F77-V79 PolarHBondContact O-N 3.43Å; V79-G81 PolarHBondContact O-N 2.92Å; V79-F205 HydrophobicContact CG1-CE2 3.81Å; V79-F205 HydrophobicContact CG1-CZ 4.13Å
80A98.1Very high97.5Very high21 Ų2143.8 Ų43.817%0.17429%0.285CS..  trans-59.212716600000110.1H9 S107H9-A80 PolarHBondContact O-N 2.73Å; A80-S107 PolarHBondContact O-OG 2.69Å; A80-S107 VanDerWaalsContact O-OG 3.09Å
81G95.4Very high97.6Very high41 Ų4148.7 Ų48.742%0.42329%0.288SS..  trans-172.6177-176.600000110.4V79 K103V79-G81 PolarHBondContact O-N 2.92Å; G81-K103 WeakPolarHBondContact CA-O 3.46Å
82G94.4Very high97.7Very high21 Ų2147.1 Ų47.122%0.21628%0.283CS..  trans-152.9172.1171.600000110.6C104 Y143G82-C104 PolarHBondContact O-SG 2.92Å; G82-Y143 WeakPolarHBondContact O-CD2 3.38Å; G82-Y143 VanDerWaalsContact O-CE2 3.29Å; G82-Y143 WeakPolarHBondContact O-CE2 3.45Å
83W96.3Very high97.7Very high157 Ų15744.1 Ų44.160%0.59527%0.27SS*.  trans-136.9128.8173.6-177.593.4000108.7M140 Y143W83-M140 HydrophobicContact CZ2-CB 4.47Å; W83-M140 HydrophobicContact CZ2-SD 4.39Å; W83-M140 PolarHBondContact NE1-SD 3.06Å; W83-M140 VanDerWaalsContact NE1-SD 3.45Å; W83-Y143 HydrophobicContact CB-CD2 4.34Å; W83-Y143 HydrophobicContact CB-CE2 4.26Å; W83-Y143 AromaticContact CD1-CD1 3.7Å; W83-Y143 AromaticContact CD1-CD2 3.69Å; W83-Y143 AromaticContact CD1-CE1 3.73Å; W83-Y143 AromaticContact CD1-CE2 3.71Å; W83-Y143 AromaticContact CD1-CG 3.67Å; W83-Y143 AromaticContact CD1-CZ 3.72Å; W83-Y143 HydrophobicContact CG-CD2 4.3Å; W83-Y143 HydrophobicContact CG-CE2 4.38Å; W83-Y143 AromaticContact NE1-CD1 3.93Å
84V96.3Very high97.7Very high45 Ų4550 Ų5027%0.27330%0.301SS..  trans-140.7130168.3-178.20000107.9N96 T99 M100V84-N96 HydrophobicContact CB-CB 4.47Å; V84-N96 HydrophobicContact CG1-CB 3.93Å; V84-N96 WeakPolarHBondContact CG1-ND2 3.4Å; V84-N96 VanDerWaalsContact CG1-OD1 3.28Å; V84-N96 WeakPolarHBondContact CG1-OD1 3.41Å; V84-T99 HydrophobicContact CG2-CG2 4.41Å; V84-M100 HydrophobicContact CB-CE 3.8Å; V84-M100 HydrophobicContact CB-SD 4.29Å; V84-M100 HydrophobicContact CG2-CE 3.49Å; V84-M100 VanDerWaalsContact CG2-CE 3.49Å; V84-M100 PolarHBondContact N-SD 3.08Å
85G95.2Very high97.7Very high24 Ų2454 Ų5425%0.24732%0.318CS..  trans-80.7162.1175.800000112.7N96G85-N96 PolarHBondContact O-ND2 2.84Å
86G97.7Very high97.6Very high7 Ų755.2 Ų55.27%0.07233%0.325CS..BIsolated β-bridgetrans160.6130.2178.800000111.4T139 M140 L141G86-T139 CarbonylContact C-O 3.46Å; G86-T139 PolarHBondContact N-O 3.37Å; G86-T139 CarbonylContact O-C 3.53Å; G86-M140 PolarHBondContact O-N 3.27Å; G86-L141 PolarHBondContact O-N 2.71Å
87N98.3Very high97.6Very high70 Ų7056.1 Ų56.137%0.37433%0.331SS..  trans-98.8175.8168.466.334000110A89 S90 F93 P138N87-A89 PolarHBondContact O-N 3.47Å; N87-A89 VanDerWaalsContact O-N 3.08Å; N87-A89 WeakPolarHBondContact OD1-CA 3.49Å; N87-A89 PolarHBondContact OD1-N 3.23Å; N87-S90 PolarHBondContact N-OG 2.94Å; N87-S90 VanDerWaalsContact O-CB 3.28Å; N87-S90 WeakPolarHBondContact O-CB 3.25Å; N87-S90 PolarHBondContact O-N 3.33Å; N87-S90 PolarHBondContact O-OG 2.97Å; N87-S90 VanDerWaalsContact O-OG 3.14Å; N87-S90 PolarHBondContact OD1-N 3.4Å; N87-S90 VanDerWaalsContact OD1-N 3.14Å; N87-S90 PolarHBondContact OD1-OG 3.23Å; N87-S90 VanDerWaalsContact OD1-OG 3.08Å; N87-F93 WeakPolarHBondContact O-CB 3.23Å; N87-P138 VanDerWaalsContact CB-O 3.23Å; N87-P138 WeakPolarHBondContact CB-O 3.48Å
88A98.3Very high97.5Very high76 Ų7660.3 Ų60.363%0.62835%0.353SS*.THydrogen-bonded Turntrans-64-16.2-175.600000114.6L141A88-L141 HydrophobicContact CB-CD1 4.04Å
89A98.4Very high97.5Very high94 Ų9461.6 Ų61.678%0.77736%0.361SS*.THydrogen-bonded Turntrans-96.2-1.9176.400000113.1N87N87-A89 PolarHBondContact O-N 3.47Å; N87-A89 VanDerWaalsContact O-N 3.08Å; N87-A89 WeakPolarHBondContact OD1-CA 3.49Å; N87-A89 PolarHBondContact OD1-N 3.23Å
90S98.1Very high97.5Very high37 Ų3760.7 Ų60.726%0.25936%0.356SS..  trans-71.5131.8178.1-55.80000109.7N87 D92 F93N87-S90 PolarHBondContact N-OG 2.94Å; N87-S90 VanDerWaalsContact O-CB 3.28Å; N87-S90 WeakPolarHBondContact O-CB 3.25Å; N87-S90 PolarHBondContact O-N 3.33Å; N87-S90 PolarHBondContact O-OG 2.97Å; N87-S90 VanDerWaalsContact O-OG 3.14Å; N87-S90 PolarHBondContact OD1-N 3.4Å; N87-S90 VanDerWaalsContact OD1-N 3.14Å; N87-S90 PolarHBondContact OD1-OG 3.23Å; N87-S90 VanDerWaalsContact OD1-OG 3.08Å; S90-D92 PolarHBondContact O-N 3.47Å; S90-F93 WeakPolarHBondContact O-CB 3.47Å; S90-F93 PolarHBondContact O-N 2.96Å
91H97.5Very high97.5Very high175 Ų17565.6 Ų65.681%0.8137%0.37SS*.THydrogen-bonded Turntrans-55.8-37.9-179.563.9-71.2000112.9F93H91-F93 VanDerWaalsContact C-N 3.33Å; H91-F93 PolarHBondContact O-N 2.94Å
92D97.3Very high97.6Very high62 Ų6268.3 Ų68.333%0.33237%0.368SS..THydrogen-bonded Turntrans-90.515.6177.8-54.1-33.2000113.5S90 L94 E95 N96S90-D92 PolarHBondContact O-N 3.47Å; D92-L94 VanDerWaalsContact C-N 3.35Å; D92-L94 PolarHBondContact O-N 3.03Å; D92-E95 PolarHBondContact O-N 2.81Å; D92-N96 WeakPolarHBondContact O-CB 3.34Å; D92-N96 PolarHBondContact O-N 2.83Å; D92-N96 PolarHBondContact O-ND2 3.44Å; D92-N96 PolarHBondContact O-OD1 3.34Å
93F98.1Very high97.7Very high41 Ų4172 Ų7218%0.1838%0.378CS..Hα-helixtrans-53.8-48.2-172167.7-128.9000113N87 S90 H91 N96 C97 L141N87-F93 WeakPolarHBondContact O-CB 3.23Å; S90-F93 WeakPolarHBondContact O-CB 3.47Å; S90-F93 PolarHBondContact O-N 2.96Å; H91-F93 VanDerWaalsContact C-N 3.33Å; H91-F93 PolarHBondContact O-N 2.94Å; F93-N96 PolarHBondContact O-N 2.88Å; F93-C97 WeakPolarHBondContact CE2-SG 3.09Å; F93-C97 PolarHBondContact O-N 2.95Å; F93-C97 PolarHBondContact O-SG 3.29Å; F93-L141 HydrophobicContact CD2-CB 4.37Å; F93-L141 HydrophobicContact CD2-CD1 4.35Å; F93-L141 HydrophobicContact CE2-CB 3.53Å; F93-L141 HydrophobicContact CE2-CD1 3.72Å; F93-L141 HydrophobicContact CE2-CG 4.28Å; F93-L141 HydrophobicContact CZ-CB 4.24Å; F93-L141 HydrophobicContact CZ-CD1 3.94Å
94L98.5Very high97.9Very high125 Ų12564.6 Ų64.665%0.65435%0.35SS*.Hα-helixtrans-70.5-39.5-179.5-63.2-179000111.9D92 N96 C97 D98D92-L94 VanDerWaalsContact C-N 3.35Å; D92-L94 PolarHBondContact O-N 3.03Å; L94-N96 VanDerWaalsContact C-N 3.28Å; L94-N96 PolarHBondContact O-N 2.86Å; L94-C97 WeakPolarHBondContact O-CB 3.33Å; L94-C97 PolarHBondContact O-N 3.27Å; L94-C97 VanDerWaalsContact O-N 3.12Å; L94-D98 PolarHBondContact O-N 2.9Å
95E98.4Very high98Very high119 Ų11963 Ų6356%0.55634%0.34SS*.Hα-helixtrans-62.1-38.3174.5-177.4174.4172.600111.8D92 C97 D98 T99D92-E95 PolarHBondContact O-N 2.81Å; E95-C97 VanDerWaalsContact C-N 3.34Å; E95-D98 PolarHBondContact O-N 3.32Å; E95-T99 VanDerWaalsContact O-CB 3.27Å; E95-T99 WeakPolarHBondContact O-CB 3.36Å; E95-T99 PolarHBondContact O-N 2.92Å; E95-T99 PolarHBondContact O-OG1 3.3Å
96N98Very high98.1Very high25 Ų2563.8 Ų63.813%0.13434%0.335CS..Hα-helixtrans-66.3-37.6175.1-66.6-15000111.1V84 G85 D92 F93 L94 T99 M100V84-N96 HydrophobicContact CB-CB 4.47Å; V84-N96 HydrophobicContact CG1-CB 3.93Å; V84-N96 WeakPolarHBondContact CG1-ND2 3.4Å; V84-N96 VanDerWaalsContact CG1-OD1 3.28Å; V84-N96 WeakPolarHBondContact CG1-OD1 3.41Å; G85-N96 PolarHBondContact O-ND2 2.84Å; D92-N96 WeakPolarHBondContact O-CB 3.34Å; D92-N96 PolarHBondContact O-N 2.83Å; D92-N96 PolarHBondContact O-ND2 3.44Å; D92-N96 PolarHBondContact O-OD1 3.34Å; F93-N96 PolarHBondContact O-N 2.88Å; L94-N96 VanDerWaalsContact C-N 3.28Å; L94-N96 PolarHBondContact O-N 2.86Å; N96-T99 PolarHBondContact O-N 2.83Å; N96-M100 WeakPolarHBondContact O-CB 3.3Å; N96-M100 WeakPolarHBondContact O-CG 3.45Å; N96-M100 PolarHBondContact O-N 2.71Å
97C98.6Very high98.2Very high20 Ų2063.7 Ų63.714%0.13533%0.334CS..Hα-helixtrans-61.2-50.1173-66.30000111.5F93 L94 E95 T99 M100 W101 M145F93-C97 WeakPolarHBondContact CE2-SG 3.09Å; F93-C97 PolarHBondContact O-N 2.95Å; F93-C97 PolarHBondContact O-SG 3.29Å; L94-C97 WeakPolarHBondContact O-CB 3.33Å; L94-C97 PolarHBondContact O-N 3.27Å; L94-C97 VanDerWaalsContact O-N 3.12Å; E95-C97 VanDerWaalsContact C-N 3.34Å; C97-T99 VanDerWaalsContact C-N 3.31Å; C97-T99 PolarHBondContact O-N 2.92Å; C97-M100 PolarHBondContact O-N 2.89Å; C97-W101 WeakPolarHBondContact O-CB 3.49Å; C97-W101 PolarHBondContact O-N 2.78Å; C97-M145 HydrophobicContact CB-CE 4.17Å; C97-M145 WeakPolarHBondContact SG-CE 3.34Å
98D97.8Very high98.2Very high87 Ų8760.4 Ų60.447%0.46532%0.316SS..Hα-helixtrans-61.1-41.7178.5-75.8-9000111.9L94 E95 W101 R102L94-D98 PolarHBondContact O-N 2.9Å; E95-D98 PolarHBondContact O-N 3.32Å; D98-W101 PolarHBondContact O-N 3.15Å; D98-R102 WeakPolarHBondContact O-CB 3.26Å; D98-R102 WeakPolarHBondContact O-CG 3.43Å; D98-R102 PolarHBondContact O-N 3.38Å
99T97.7Very high98.2Very high28 Ų2859.1 Ų59.117%0.17230%0.302CS..Hα-helixtrans-64.7-42.8177.7-64.40000111.6V84 E95 N96 C97 K103V84-T99 HydrophobicContact CG2-CG2 4.41Å; E95-T99 VanDerWaalsContact O-CB 3.27Å; E95-T99 WeakPolarHBondContact O-CB 3.36Å; E95-T99 PolarHBondContact O-N 2.92Å; E95-T99 PolarHBondContact O-OG1 3.3Å; N96-T99 PolarHBondContact O-N 2.83Å; C97-T99 VanDerWaalsContact C-N 3.31Å; C97-T99 PolarHBondContact O-N 2.92Å; T99-K103 HydrophobicContact CG2-CD 3.91Å; T99-K103 HydrophobicContact CG2-CG 4.45Å; T99-K103 WeakPolarHBondContact O-CB 3.34Å; T99-K103 VanDerWaalsContact O-CG 3.32Å; T99-K103 WeakPolarHBondContact O-CG 3.43Å; T99-K103 PolarHBondContact O-N 3.27Å
100M98.4Very high98.3Very high0 Ų054.8 Ų54.80%027%0.266CS..Hα-helixtrans-67.7-37.3175.7-68.6-60.293.500112.3V84 N96 C97 K103 C104 G142 Y143 A146V84-M100 HydrophobicContact CB-CE 3.8Å; V84-M100 HydrophobicContact CB-SD 4.29Å; V84-M100 HydrophobicContact CG2-CE 3.49Å; V84-M100 VanDerWaalsContact CG2-CE 3.49Å; V84-M100 PolarHBondContact N-SD 3.08Å; N96-M100 WeakPolarHBondContact O-CB 3.3Å; N96-M100 WeakPolarHBondContact O-CG 3.45Å; N96-M100 PolarHBondContact O-N 2.71Å; C97-M100 PolarHBondContact O-N 2.89Å; M100-K103 HydrophobicContact CE-CD 4.12Å; M100-K103 PolarHBondContact O-N 3.05Å; M100-C104 VanDerWaalsContact O-CB 3.28Å; M100-C104 WeakPolarHBondContact O-CB 3.44Å; M100-C104 PolarHBondContact O-N 2.9Å; M100-G142 WeakPolarHBondContact CB-O 3.35Å; M100-Y143 HydrophobicContact SD-CD2 3.81Å; M100-Y143 HydrophobicContact SD-CG 4.46Å; M100-A146 HydrophobicContact CB-CB 3.88Å
101W98.5Very high98.3Very high123 Ų12353 Ų5347%0.46625%0.254SS..Iπ-helixtrans-61.8-50.5173.9-166.1-94000111.5C97 D98 K103 V105 W106 A149C97-W101 WeakPolarHBondContact O-CB 3.49Å; C97-W101 PolarHBondContact O-N 2.78Å; D98-W101 PolarHBondContact O-N 3.15Å; W101-K103 PolarHBondContact O-N 3.34Å; W101-V105 HydrophobicContact CD2-CB 3.88Å; W101-V105 HydrophobicContact CD2-CG1 4.13Å; W101-V105 HydrophobicContact CD2-CG2 3.83Å; W101-V105 HydrophobicContact CE3-CB 4.21Å; W101-V105 HydrophobicContact CE3-CG1 4.45Å; W101-V105 HydrophobicContact CE3-CG2 3.65Å; W101-V105 HydrophobicContact CG-CB 4.19Å; W101-V105 HydrophobicContact CG-CG2 4.36Å; W101-V105 HydrophobicContact CH2-CG1 4.06Å; W101-V105 HydrophobicContact CH2-CG2 4.45Å; W101-V105 HydrophobicContact CZ2-CB 4.39Å; W101-V105 HydrophobicContact CZ2-CG1 3.71Å; W101-V105 HydrophobicContact CZ3-CG1 4.41Å; W101-V105 HydrophobicContact CZ3-CG2 3.98Å; W101-V105 WeakPolarHBondContact O-CA 3.39Å; W101-V105 VanDerWaalsContact O-CB 3.29Å; W101-V105 WeakPolarHBondContact O-CB 3.2Å; W101-V105 PolarHBondContact O-N 3.04Å; W101-W106 AromaticContact CD1-CD1 3.62Å; W101-W106 AromaticContact CD1-NE1 3.41Å; W101-W106 AromaticContact NE1-CD1 3.84Å; W101-W106 AromaticContact NE1-NE1 3.71Å; W101-W106 PolarHBondContact O-N 3.16Å; W101-A149 HydrophobicContact CH2-CB 4.38Å; W101-A149 HydrophobicContact CZ3-CB 4.14Å
102R97.7Very high98.4Very high99 Ų9945.2 Ų45.237%0.37422%0.22SC..Iπ-helixtrans-61-43.3176.7-74.2-172.3-75.1-92.6-0.2112.4D98 W106D98-R102 WeakPolarHBondContact O-CB 3.26Å; D98-R102 WeakPolarHBondContact O-CG 3.43Å; D98-R102 PolarHBondContact O-N 3.38Å; R102-W106 HydrophobicContact CB-CD2 4.23Å; R102-W106 HydrophobicContact CB-CE3 4.23Å; R102-W106 HydrophobicContact CG-CD2 3.89Å; R102-W106 HydrophobicContact CG-CE3 3.93Å; R102-W106 HydrophobicContact CG-CH2 3.85Å; R102-W106 HydrophobicContact CG-CZ2 3.81Å; R102-W106 HydrophobicContact CG-CZ3 3.91Å; R102-W106 WeakPolarHBondContact O-CB 3.25Å
103K97.8Very high98.4Very high98 Ų9843.7 Ų43.743%0.42621%0.214SC..Iπ-helixtrans-77.6-33-175.3-71.9-178.4179.9-70.50114G81 T99 M100 W101 S107G81-K103 WeakPolarHBondContact CA-O 3.46Å; T99-K103 HydrophobicContact CG2-CD 3.91Å; T99-K103 HydrophobicContact CG2-CG 4.45Å; T99-K103 WeakPolarHBondContact O-CB 3.34Å; T99-K103 VanDerWaalsContact O-CG 3.32Å; T99-K103 WeakPolarHBondContact O-CG 3.43Å; T99-K103 PolarHBondContact O-N 3.27Å; M100-K103 HydrophobicContact CE-CD 4.12Å; M100-K103 PolarHBondContact O-N 3.05Å; W101-K103 PolarHBondContact O-N 3.34Å; K103-S107 PolarHBondContact O-OG 3.44Å
104C98.6Very high98.5Very high1 Ų141.8 Ų41.81%0.00721%0.205CC..Iπ-helixtrans-109.8-41.8-172.4-61.60000113.3G82 M100 S107 S108 A146 K147 V150G82-C104 PolarHBondContact O-SG 2.92Å; M100-C104 VanDerWaalsContact O-CB 3.28Å; M100-C104 WeakPolarHBondContact O-CB 3.44Å; M100-C104 PolarHBondContact O-N 2.9Å; C104-S107 PolarHBondContact O-OG 3.23Å; C104-S107 VanDerWaalsContact O-OG 3.14Å; C104-S108 WeakPolarHBondContact O-CB 3.5Å; C104-S108 PolarHBondContact O-N 2.96Å; C104-S108 PolarHBondContact O-OG 3.09Å; C104-A146 HydrophobicContact CB-CB 4.05Å; C104-K147 HydrophobicContact CB-CD 4.46Å; C104-V150 WeakPolarHBondContact O-CG2 3.34Å
105V98.8Very high98.5Very high11 Ų1135.8 Ų35.87%0.06717%0.174CC..Iπ-helixtrans-84.8-43.1-175.2-174.80000110.9W101 S108 S109 A146 A149W101-V105 HydrophobicContact CD2-CB 3.88Å; W101-V105 HydrophobicContact CD2-CG1 4.13Å; W101-V105 HydrophobicContact CD2-CG2 3.83Å; W101-V105 HydrophobicContact CE3-CB 4.21Å; W101-V105 HydrophobicContact CE3-CG1 4.45Å; W101-V105 HydrophobicContact CE3-CG2 3.65Å; W101-V105 HydrophobicContact CG-CB 4.19Å; W101-V105 HydrophobicContact CG-CG2 4.36Å; W101-V105 HydrophobicContact CH2-CG1 4.06Å; W101-V105 HydrophobicContact CH2-CG2 4.45Å; W101-V105 HydrophobicContact CZ2-CB 4.39Å; W101-V105 HydrophobicContact CZ2-CG1 3.71Å; W101-V105 HydrophobicContact CZ3-CG1 4.41Å; W101-V105 HydrophobicContact CZ3-CG2 3.98Å; W101-V105 WeakPolarHBondContact O-CA 3.39Å; W101-V105 VanDerWaalsContact O-CB 3.29Å; W101-V105 WeakPolarHBondContact O-CB 3.2Å; W101-V105 PolarHBondContact O-N 3.04Å; V105-S108 PolarHBondContact O-N 3.06Å; V105-S109 VanDerWaalsContact O-CB 3.3Å; V105-S109 WeakPolarHBondContact O-CB 3.4Å; V105-S109 PolarHBondContact O-N 3.3Å; V105-S109 PolarHBondContact O-OG 3.08Å; V105-A146 HydrophobicContact CG2-CB 3.89Å; V105-A146 WeakPolarHBondContact CG2-O 3.44Å; V105-A149 HydrophobicContact CG2-CB 4.01Å
106W98.5Very high98.5Very high41 Ų4132.8 Ų32.816%0.15517%0.166CC..Iπ-helixtrans-62.6-47.4176.5-685.8000111.4W101 R102 S108 S109 I110W101-W106 AromaticContact CD1-CD1 3.62Å; W101-W106 AromaticContact CD1-NE1 3.41Å; W101-W106 AromaticContact NE1-CD1 3.84Å; W101-W106 AromaticContact NE1-NE1 3.71Å; W101-W106 PolarHBondContact O-N 3.16Å; R102-W106 HydrophobicContact CB-CD2 4.23Å; R102-W106 HydrophobicContact CB-CE3 4.23Å; R102-W106 HydrophobicContact CG-CD2 3.89Å; R102-W106 HydrophobicContact CG-CE3 3.93Å; R102-W106 HydrophobicContact CG-CH2 3.85Å; R102-W106 HydrophobicContact CG-CZ2 3.81Å; R102-W106 HydrophobicContact CG-CZ3 3.91Å; R102-W106 WeakPolarHBondContact O-CB 3.25Å; W106-S108 VanDerWaalsContact C-N 3.31Å; W106-S108 PolarHBondContact O-N 2.92Å; W106-S109 PolarHBondContact O-N 3Å; W106-I110 HydrophobicContact CB-CD1 4.48Å; W106-I110 WeakPolarHBondContact O-CB 3.27Å; W106-I110 WeakPolarHBondContact O-CD1 3.46Å; W106-I110 WeakPolarHBondContact O-CG1 3.45Å; W106-I110 PolarHBondContact O-N 3.38Å
107S98.7Very high98.5Very high5 Ų535.4 Ų35.44%0.03518%0.177CC..Hα-helixtrans-56.3-46178.858.40000112.2H9 C78 A80 K103 C104 A111H9-S107 PolarHBondContact ND1-O 3.38Å; C78-S107 PolarHBondContact SG-O 3.47Å; A80-S107 PolarHBondContact O-OG 2.69Å; A80-S107 VanDerWaalsContact O-OG 3.09Å; K103-S107 PolarHBondContact O-OG 3.44Å; C104-S107 PolarHBondContact O-OG 3.23Å; C104-S107 VanDerWaalsContact O-OG 3.14Å; S107-A111 WeakPolarHBondContact O-CB 3.32Å; S107-A111 PolarHBondContact O-N 3.45Å
108S98.9Very high98.5Very high2 Ų234.9 Ų34.91%0.01417%0.172CC..Hα-helixtrans-68.2-39.7179.1-580000112.8C104 V105 W106 A111 A112 V150C104-S108 WeakPolarHBondContact O-CB 3.5Å; C104-S108 PolarHBondContact O-N 2.96Å; C104-S108 PolarHBondContact O-OG 3.09Å; V105-S108 PolarHBondContact O-N 3.06Å; W106-S108 VanDerWaalsContact C-N 3.31Å; W106-S108 PolarHBondContact O-N 2.92Å; S108-A111 PolarHBondContact O-N 3.09Å; S108-A112 WeakPolarHBondContact O-CB 3.45Å; S108-A112 PolarHBondContact O-N 3.17Å; S108-V150 WeakPolarHBondContact OG-CG2 3.37Å
109S98.9Very high98.6Very high48 Ų4830.9 Ų30.934%0.33615%0.15SC..Hα-helixtrans-69.7-38.3178.1-54.70000111.7V105 W106 A112 S113V105-S109 VanDerWaalsContact O-CB 3.3Å; V105-S109 WeakPolarHBondContact O-CB 3.4Å; V105-S109 PolarHBondContact O-N 3.3Å; V105-S109 PolarHBondContact O-OG 3.08Å; W106-S109 PolarHBondContact O-N 3Å; S109-A112 WeakPolarHBondContact O-CB 3.26Å; S109-A112 PolarHBondContact O-N 3.5Å; S109-S113 PolarHBondContact O-N 2.88Å
110I98.9Very high98.6Very high4 Ų430.3 Ų30.32%0.02115%0.147CC..Hα-helixtrans-61.8-50171.6-68.3165.3000108.9Q56 E57 W106 A112 S113 L114Q56-I110 HydrophobicContact CB-CD1 4Å; Q56-I110 HydrophobicContact CG-CD1 4.04Å; Q56-I110 VanDerWaalsContact OE1-CD1 3.25Å; E57-I110 HydrophobicContact CB-CG1 4.16Å; E57-I110 HydrophobicContact CB-CG2 4.41Å; E57-I110 HydrophobicContact CG-CG2 4.46Å; W106-I110 HydrophobicContact CB-CD1 4.48Å; W106-I110 WeakPolarHBondContact O-CB 3.27Å; W106-I110 WeakPolarHBondContact O-CD1 3.46Å; W106-I110 WeakPolarHBondContact O-CG1 3.45Å; W106-I110 PolarHBondContact O-N 3.38Å; I110-A112 VanDerWaalsContact C-N 3.27Å; I110-A112 PolarHBondContact O-N 2.82Å; I110-S113 WeakPolarHBondContact O-CB 3.43Å; I110-S113 PolarHBondContact O-N 3.23Å; I110-S113 VanDerWaalsContact O-N 3.07Å; I110-L114 HydrophobicContact CG2-CD1 3.9Å; I110-L114 HydrophobicContact CG2-CG 4.14Å; I110-L114 VanDerWaalsContact O-CG 3.25Å; I110-L114 WeakPolarHBondContact O-CG 3.46Å; I110-L114 PolarHBondContact O-N 2.83Å
111A98.9Very high98.5Very high0 Ų033.5 Ų33.50%017%0.174CC..Hα-helixtrans-57.6-38.517800000112.9I76 C78 S107 S108 L114 A115 L125 L127I76-A111 HydrophobicContact CG2-CB 4.21Å; C78-A111 HydrophobicContact CB-CB 3.61Å; S107-A111 WeakPolarHBondContact O-CB 3.32Å; S107-A111 PolarHBondContact O-N 3.45Å; S108-A111 PolarHBondContact O-N 3.09Å; A111-L114 PolarHBondContact O-N 3.33Å; A111-A115 WeakPolarHBondContact O-CB 3.17Å; A111-A115 PolarHBondContact O-N 3.34Å; A111-L125 HydrophobicContact CB-CD1 4.17Å; A111-L127 HydrophobicContact CB-CD2 4.08Å
112A98.9Very high98.3Very high10 Ų1031.5 Ų31.58%0.08318%0.178CC..Hα-helixtrans-63.2-45.7173.500000112.6S108 S109 I110 L114 A115 S116 L153 L157S108-A112 WeakPolarHBondContact O-CB 3.45Å; S108-A112 PolarHBondContact O-N 3.17Å; S109-A112 WeakPolarHBondContact O-CB 3.26Å; S109-A112 PolarHBondContact O-N 3.5Å; I110-A112 VanDerWaalsContact C-N 3.27Å; I110-A112 PolarHBondContact O-N 2.82Å; A112-L114 PolarHBondContact O-N 3.28Å; A112-A115 WeakPolarHBondContact O-CB 3.41Å; A112-A115 PolarHBondContact O-N 3.23Å; A112-S116 PolarHBondContact O-N 2.73Å; A112-S116 VanDerWaalsContact O-N 3.09Å; A112-L153 HydrophobicContact CB-CD1 4.48Å; A112-L153 HydrophobicContact CB-CD2 4.39Å; A112-L157 HydrophobicContact CB-CD1 3.58Å; A112-L157 HydrophobicContact CB-CD2 4.04Å; A112-L157 HydrophobicContact CB-CG 4.42Å
113S98.8Very high98.4Very high31 Ų3126.8 Ų26.822%0.21716%0.161CC..Hα-helixtrans-62.1-43.6174.9-1800000111.8E57 K61 S109 I110 A115 S116 K117E57-S113 WeakPolarHBondContact OE1-CB 3.48Å; E57-S113 PolarHBondContact OE1-OG 3.43Å; K61-S113 PolarHBondContact NZ-OG 2.65Å; S109-S113 PolarHBondContact O-N 2.88Å; I110-S113 WeakPolarHBondContact O-CB 3.43Å; I110-S113 PolarHBondContact O-N 3.23Å; I110-S113 VanDerWaalsContact O-N 3.07Å; S113-A115 VanDerWaalsContact C-N 3.29Å; S113-A115 PolarHBondContact O-N 2.86Å; S113-S116 PolarHBondContact O-N 2.93Å; S113-S116 PolarHBondContact O-OG 3.31Å; S113-K117 PolarHBondContact O-N 3.28Å
114L98.9Very high98.4Very high0 Ų022.1 Ų22.10%014%0.14CC..Hα-helixtrans-60.8-40.5175.2-62.9177.3000111L7 V60 K61 L64 I76 I110 A111 A112 S116 K117 Y118L7-L114 HydrophobicContact CD2-CD1 3.76Å; V60-L114 HydrophobicContact CB-CD1 4.34Å; V60-L114 HydrophobicContact CB-CD2 4.42Å; V60-L114 HydrophobicContact CG1-CD1 3.51Å; V60-L114 HydrophobicContact CG1-CD2 4.08Å; V60-L114 HydrophobicContact CG1-CG 4.43Å; K61-L114 HydrophobicContact CG-CD2 3.73Å; L64-L114 HydrophobicContact CD1-CD1 4.2Å; L64-L114 HydrophobicContact CD1-CD2 3.97Å; I76-L114 HydrophobicContact CD1-CB 4.36Å; I110-L114 HydrophobicContact CG2-CD1 3.9Å; I110-L114 HydrophobicContact CG2-CG 4.14Å; I110-L114 VanDerWaalsContact O-CG 3.25Å; I110-L114 WeakPolarHBondContact O-CG 3.46Å; I110-L114 PolarHBondContact O-N 2.83Å; A111-L114 PolarHBondContact O-N 3.33Å; A112-L114 PolarHBondContact O-N 3.28Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 PolarHBondContact O-N 3.5Å; L114-K117 PolarHBondContact O-N 3.49Å; L114-K117 VanDerWaalsContact O-N 3.15Å; L114-Y118 HydrophobicContact CB-CD2 4.12Å; L114-Y118 HydrophobicContact CD2-CD2 4.01Å; L114-Y118 HydrophobicContact CD2-CE2 3.7Å; L114-Y118 WeakPolarHBondContact O-CB 3.49Å; L114-Y118 VanDerWaalsContact O-CD2 3.26Å; L114-Y118 WeakPolarHBondContact O-CD2 3.3Å; L114-Y118 PolarHBondContact O-N 2.77Å
115A98.9Very high98.4Very high0 Ų022 Ų220%014%0.14CC..Hα-helixtrans-61.8-39.9177.300000112.7I76 A111 A112 S113 K117 L119 L125 L164I76-A115 HydrophobicContact CD1-CB 3.93Å; A111-A115 WeakPolarHBondContact O-CB 3.17Å; A111-A115 PolarHBondContact O-N 3.34Å; A112-A115 WeakPolarHBondContact O-CB 3.41Å; A112-A115 PolarHBondContact O-N 3.23Å; S113-A115 VanDerWaalsContact C-N 3.29Å; S113-A115 PolarHBondContact O-N 2.86Å; A115-K117 PolarHBondContact O-N 3Å; A115-L119 HydrophobicContact CB-CB 4.21Å; A115-L119 HydrophobicContact CB-CD2 4.19Å; A115-L119 WeakPolarHBondContact O-CB 3.49Å; A115-L119 PolarHBondContact O-N 3.42Å; A115-L119 VanDerWaalsContact O-N 3.17Å; A115-L125 HydrophobicContact CB-CB 4.37Å; A115-L125 HydrophobicContact CB-CD1 4.35Å; A115-L125 HydrophobicContact CB-CD2 3.86Å; A115-L125 HydrophobicContact CB-CG 4.42Å; A115-L164 HydrophobicContact CB-CD2 3.63Å
116S98.5Very high98.4Very high55 Ų5521.5 Ų21.539%0.38514%0.137SC..Hα-helixtrans-58.6-32175.677.30000113.4A112 S113 L114 G163A112-S116 PolarHBondContact O-N 2.73Å; A112-S116 VanDerWaalsContact O-N 3.09Å; S113-S116 PolarHBondContact O-N 2.93Å; S113-S116 PolarHBondContact O-OG 3.31Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 PolarHBondContact O-N 3.5Å; S116-G163 VanDerWaalsContact CB-O 3.31Å; S116-G163 WeakPolarHBondContact CB-O 3.18Å
117K98.2Very high98.5Very high81 Ų8119.6 Ų19.635%0.35213%0.129SC..Hα-helixtrans-97.2-41.9-176.4-176.5174.1171-166.90113.4D65 K72 S113 L114 A115D65-K117 WeakPolarHBondContact OD1-CE 3.35Å; D65-K117 IonicContact OD1-NZ 2.86Å; D65-K117 PolarHBondContact OD1-NZ 3.15Å; D65-K117 IonicContact OD2-NZ 2.76Å; D65-K117 PolarHBondContact OD2-NZ 3.23Å; K72-K117 PolarHBondContact NZ-O 2.76Å; S113-K117 PolarHBondContact O-N 3.28Å; L114-K117 PolarHBondContact O-N 3.49Å; L114-K117 VanDerWaalsContact O-N 3.15Å; A115-K117 PolarHBondContact O-N 3Å
118Y98.7Very high98.5Very high9 Ų920 Ų204%0.03513%0.132CC..Hα-helixtrans-110-19.4-166.2-58.5-73.7000114.6K61 L64 D65 L68 K72 I73 L114K61-Y118 WeakPolarHBondContact CA-OH 3.44Å; K61-Y118 HydrophobicContact CG-CE2 3.97Å; K61-Y118 PolarHBondContact O-OH 2.98Å; K61-Y118 VanDerWaalsContact O-OH 3.06Å; L64-Y118 HydrophobicContact CB-CD1 4.41Å; L64-Y118 HydrophobicContact CB-CE1 3.96Å; L64-Y118 HydrophobicContact CB-CE2 4.19Å; L64-Y118 HydrophobicContact CD1-CD2 3.86Å; L64-Y118 HydrophobicContact CD1-CE2 3.9Å; L64-Y118 HydrophobicContact CD1-CG 4.35Å; D65-Y118 VanDerWaalsContact CG-OH 3.24Å; D65-Y118 WeakPolarHBondContact OD1-CE1 3.45Å; D65-Y118 VanDerWaalsContact OD1-CZ 3.29Å; D65-Y118 PolarHBondContact OD1-OH 3.34Å; L68-Y118 HydrophobicContact CD1-CD1 3.56Å; L68-Y118 HydrophobicContact CD1-CE1 4.19Å; L68-Y118 HydrophobicContact CD1-CG 4.15Å; K72-Y118 WeakPolarHBondContact CA-O 3.4Å; K72-Y118 VanDerWaalsContact CD-O 3.25Å; K72-Y118 WeakPolarHBondContact CD-O 3.46Å; I73-Y118 HydrophobicContact CD1-CG 4.46Å; I73-Y118 PolarHBondContact N-O 3.44Å; L114-Y118 HydrophobicContact CB-CD2 4.12Å; L114-Y118 HydrophobicContact CD2-CD2 4.01Å; L114-Y118 HydrophobicContact CD2-CE2 3.7Å; L114-Y118 WeakPolarHBondContact O-CB 3.49Å; L114-Y118 VanDerWaalsContact O-CD2 3.26Å; L114-Y118 WeakPolarHBondContact O-CD2 3.3Å; L114-Y118 PolarHBondContact O-N 2.77Å
119L98.8Very high98.4Very high2 Ų219.9 Ų19.91%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-68.4140.9-177.5-16268.2000110.7I73 I76 A115 L125 P165I73-L119 CarbonylContact O-C 3.56Å; I76-L119 HydrophobicContact CD1-CB 4.38Å; I76-L119 HydrophobicContact CD1-CD1 4.09Å; I76-L119 HydrophobicContact CG1-CD1 4.01Å; A115-L119 HydrophobicContact CB-CB 4.21Å; A115-L119 HydrophobicContact CB-CD2 4.19Å; A115-L119 WeakPolarHBondContact O-CB 3.49Å; A115-L119 PolarHBondContact O-N 3.42Å; A115-L119 VanDerWaalsContact O-N 3.17Å; L119-L125 HydrophobicContact CD2-CB 4.36Å; L119-P165 HydrophobicContact CB-CG 4.24Å; L119-P165 WeakPolarHBondContact O-CG 3.44Å
120S98Very high98.4Very high16 Ų1617.6 Ų17.611%0.11212%0.115CC..EExtended strand (participates in β ladder)trans-70.7161.3172.969.70000111I73 S122 G123I73-S120 PolarHBondContact O-N 3.29Å; I73-S120 PolarHBondContact O-OG 3.31Å; S120-S122 PolarHBondContact O-N 3.42Å; S120-G123 PolarHBondContact O-N 2.76Å; S120-G123 WeakPolarHBondContact OG-CA 3.37Å; S120-G123 PolarHBondContact OG-N 3.36Å
121A96.1Very high98.4Very high67 Ų6721.1 Ų21.155%0.55413%0.131SC*.EExtended strand (participates in β ladder)trans-61-26.3-177.800000113.5G167 S168A121-G167 CarbonylContact O-C 3.58Å; A121-G167 VanDerWaalsContact O-CA 3.29Å; A121-G167 WeakPolarHBondContact O-CA 3.38Å; A121-S168 PolarHBondContact O-N 2.88Å
122S95.2Very high98.3Very high81 Ų8122.6 Ų22.657%0.56614%0.144SC*.EExtended strand (participates in β ladder)trans-106.112.8174.160.20000113S120 R215S120-S122 PolarHBondContact O-N 3.42Å; S122-R215 PolarHBondContact O-NH1 2.9Å
123G98.4Very high98.2Very high0 Ų022.9 Ų22.90%015%0.146CC..EExtended strand (participates in β ladder)trans-72.8166.1-171.200000113.2D74 S120 S168 C169D74-G123 CarbonylContact O-C 3.54Å; D74-G123 WeakPolarHBondContact O-CA 3.39Å; S120-G123 PolarHBondContact O-N 2.76Å; S120-G123 WeakPolarHBondContact OG-CA 3.37Å; S120-G123 PolarHBondContact OG-N 3.36Å; G123-S168 WeakPolarHBondContact O-CA 3.25Å; G123-S168 WeakPolarHBondContact O-CB 3.33Å; G123-C169 PolarHBondContact O-N 3.31Å
124L98.9Very high98.2Very high0 Ų023.5 Ų23.50%015%0.147CC..EExtended strand (participates in β ladder)trans-119.1122.6-177.2177.764.7000110.8D74 G75 I76 F77 V126 C169 L171 W208 L209D74-L124 PolarHBondContact O-N 3.23Å; G75-L124 CarbonylContact C-O 3.6Å; G75-L124 VanDerWaalsContact CA-O 3.26Å; G75-L124 WeakPolarHBondContact CA-O 3.44Å; I76-L124 PolarHBondContact N-O 2.75Å; F77-L124 HydrophobicContact CE1-CD2 4.06Å; F77-L124 HydrophobicContact CZ-CD2 4.28Å; L124-V126 HydrophobicContact CD1-CG2 4.07Å; L124-V126 HydrophobicContact CD2-CG2 3.85Å; L124-V126 HydrophobicContact CG-CG2 3.74Å; L124-C169 CarbonylContact C-O 2.83Å; L124-C169 WeakPolarHBondContact CA-O 3.33Å; L124-C169 HydrophobicContact CD1-CB 4.06Å; L124-L171 HydrophobicContact CD1-CD1 4.03Å; L124-L171 HydrophobicContact CD1-CG 4.29Å; L124-W208 HydrophobicContact CD2-CB 3.54Å; L124-L209 HydrophobicContact CB-CD1 4.25Å
125L98.9Very high98.1Very high0 Ų030.9 Ų30.90%018%0.181CC..EExtended strand (participates in β ladder)trans-100123.7165.3173.262.7000108.9I76 A111 A115 L119 L127 L157 L164 C169 V170 L171I76-L125 HydrophobicContact CB-CD1 3.93Å; I76-L125 HydrophobicContact CG2-CD1 3.71Å; I76-L125 CarbonylContact O-C 3.21Å; I76-L125 WeakPolarHBondContact O-CA 3.38Å; A111-L125 HydrophobicContact CB-CD1 4.17Å; A115-L125 HydrophobicContact CB-CB 4.37Å; A115-L125 HydrophobicContact CB-CD1 4.35Å; A115-L125 HydrophobicContact CB-CD2 3.86Å; A115-L125 HydrophobicContact CB-CG 4.42Å; L119-L125 HydrophobicContact CD2-CB 4.36Å; L125-L127 HydrophobicContact CD1-CD2 3.9Å; L125-L127 HydrophobicContact CD2-CD2 4.4Å; L125-L127 HydrophobicContact CG-CD2 4.19Å; L125-L127 HydrophobicContact CG-CG 4.41Å; L125-L157 HydrophobicContact CD2-CD1 3.93Å; L125-L164 HydrophobicContact CD2-CD1 4.46Å; L125-C169 PolarHBondContact N-O 3.22Å; L125-V170 HydrophobicContact CB-CB 4.3Å; L125-V170 HydrophobicContact CB-CG2 4.2Å; L125-V170 HydrophobicContact CD2-CB 4.4Å; L125-V170 HydrophobicContact CD2-CG2 3.76Å; L125-V170 HydrophobicContact CG-CG2 3.96Å; L125-V170 CarbonylContact O-C 3.6Å; L125-V170 VanDerWaalsContact O-CA 3.26Å; L125-V170 WeakPolarHBondContact O-CA 3.31Å; L125-L171 PolarHBondContact O-N 2.88Å
126V99Very high98.1Very high0 Ų035.3 Ų35.30%022%0.218CC..EExtended strand (participates in β ladder)trans-118122.8170.4-171.30000110.1I76 F77 C78 L124 L171 I173 F205 W208I76-V126 PolarHBondContact O-N 2.72Å; F77-V126 HydrophobicContact CD1-CB 3.76Å; F77-V126 HydrophobicContact CD1-CG2 3.68Å; F77-V126 HydrophobicContact CE1-CB 4.26Å; F77-V126 HydrophobicContact CE1-CG2 3.64Å; C78-V126 PolarHBondContact N-O 3.27Å; L124-V126 HydrophobicContact CD1-CG2 4.07Å; L124-V126 HydrophobicContact CD2-CG2 3.85Å; L124-V126 HydrophobicContact CG-CG2 3.74Å; V126-L171 CarbonylContact C-O 3.52Å; V126-L171 WeakPolarHBondContact CA-O 3.46Å; V126-I173 HydrophobicContact CG1-CG2 4.29Å; V126-F205 HydrophobicContact CB-CE1 4.28Å; V126-F205 HydrophobicContact CG1-CD1 4.36Å; V126-F205 HydrophobicContact CG1-CE1 3.62Å; V126-F205 HydrophobicContact CG1-CZ 4Å; V126-F205 HydrophobicContact CG2-CD1 4.49Å; V126-W208 HydrophobicContact CG1-CZ3 4.38Å; V126-W208 HydrophobicContact CG2-CE3 4.27Å
127L98.9Very high98Very high0 Ų033.5 Ų33.50%020%0.204CC..EExtended strand (participates in β ladder)trans-97.9163.9171.6-56-177.7000110.6C78 A111 L125 V150 L153 L157 L171 A172 I173C78-L127 HydrophobicContact CB-CD2 3.79Å; A111-L127 HydrophobicContact CB-CD2 4.08Å; L125-L127 HydrophobicContact CD1-CD2 3.9Å; L125-L127 HydrophobicContact CD2-CD2 4.4Å; L125-L127 HydrophobicContact CG-CD2 4.19Å; L125-L127 HydrophobicContact CG-CG 4.41Å; L127-V150 HydrophobicContact CB-CG1 3.89Å; L127-V150 HydrophobicContact CD1-CG1 4.32Å; L127-L153 HydrophobicContact CD1-CD2 3.9Å; L127-L153 HydrophobicContact CD1-CG 4.08Å; L127-L157 HydrophobicContact CD1-CD1 4.3Å; L127-L171 PolarHBondContact N-O 3.29Å; L127-A172 HydrophobicContact CB-CB 4.38Å; L127-A172 VanDerWaalsContact O-CA 3.26Å; L127-A172 WeakPolarHBondContact O-CA 3.44Å; L127-I173 PolarHBondContact O-N 3.05Å
128T98.8Very high98Very high13 Ų1333.6 Ų33.68%0.0821%0.214CC..EExtended strand (participates in β ladder)trans-112.8100.2177.2-55.50000110.2C78 K147 I173 P175C78-T128 WeakPolarHBondContact O-CB 3.34Å; C78-T128 PolarHBondContact O-N 3.45Å; C78-T128 PolarHBondContact O-OG1 2.88Å; T128-K147 PolarHBondContact O-NZ 3.2Å; T128-I173 HydrophobicContact CG2-CD1 4.24Å; T128-I173 HydrophobicContact CG2-CG1 4.21Å; T128-P175 HydrophobicContact CG2-CG 4.19Å
129G98.7Very high98Very high0 Ų037.9 Ų37.90%024%0.241CC..  trans-75.6-152.6165.700000111.9K147 I173G129-K147 PolarHBondContact O-NZ 3.23Å; G129-I173 WeakPolarHBondContact CA-O 3.42Å; G129-I173 PolarHBondContact N-O 2.95Å
130A98.5Very high98Very high1 Ų139.5 Ų39.51%0.00825%0.249CC..  trans-158.1137.6172.600000110.9A132 A133 Y143 K147 H151 S174A130-A132 PolarHBondContact O-N 3.28Å; A130-A133 PolarHBondContact O-N 3.49Å; A130-Y143 HydrophobicContact CB-CE1 3.93Å; A130-Y143 WeakPolarHBondContact CB-OH 3.48Å; A130-K147 HydrophobicContact CB-CB 3.93Å; A130-K147 HydrophobicContact CB-CD 4Å; A130-K147 HydrophobicContact CB-CG 3.7Å; A130-H151 PolarHBondContact N-NE2 3.05Å; A130-H151 PolarHBondContact O-CE1 2.98Å; A130-H151 VanDerWaalsContact O-CE1 3.24Å; A130-S174 PolarHBondContact O-OG 3.41Å; A130-S174 VanDerWaalsContact O-OG 3.06Å
131H97.8Very high98Very high77 Ų7741.1 Ų41.136%0.35626%0.256SS..G310 helixtrans-55.2-39.1176.2172.477.1000111.2A133 L134 S174 P175 A176 Q223H131-A133 PolarHBondContact O-N 2.8Å; H131-L134 WeakPolarHBondContact O-CB 3.48Å; H131-L134 VanDerWaalsContact O-CG 3.31Å; H131-L134 WeakPolarHBondContact O-CG 3.47Å; H131-L134 PolarHBondContact O-N 3.34Å; H131-L134 VanDerWaalsContact O-N 3.12Å; H131-S174 WeakPolarHBondContact CA-OG 3.35Å; H131-S174 PolarHBondContact N-OG 2.99Å; H131-S174 VanDerWaalsContact N-OG 3.12Å; H131-P175 WeakPolarHBondContact CB-O 3.35Å; H131-P175 PolarHBondContact N-O 3.44Å; H131-A176 HydrophobicContact CB-CB 4.29Å; H131-Q223 PolarHBondContact CE1-OE1 3.43Å; H131-Q223 PolarHBondContact ND1-OE1 2.96Å
132A96.9Very high98.1Very high31 Ų3138.2 Ų38.226%0.25623%0.232SC..G310 helixtrans-58-30.3178.800000114.4A130 L134 Q135 T137 M140 Y143A130-A132 PolarHBondContact O-N 3.28Å; A132-L134 PolarHBondContact O-N 2.79Å; A132-Q135 PolarHBondContact O-N 3.07Å; A132-T137 HydrophobicContact CB-CG2 4.46Å; A132-T137 WeakPolarHBondContact O-CG2 3.5Å; A132-M140 HydrophobicContact CB-CE 3.56Å; A132-Y143 HydrophobicContact CB-CE1 4.31Å
133A97.8Very high98.3Very high16 Ų1635.7 Ų35.713%0.13221%0.211CC..G310 helixtrans-79.4-0.6-177.800000113.7A130 H131 K147A130-A133 PolarHBondContact O-N 3.49Å; H131-A133 PolarHBondContact O-N 2.8Å; A133-K147 HydrophobicContact CB-CB 3.58Å
134L97.5Very high98.3Very high44 Ų4436 Ų3623%0.2321%0.214CC..G310 helixtrans-77.9-11.5171.7-57.5179.6000112.7H131 A132 Q223 V236H131-L134 WeakPolarHBondContact O-CB 3.48Å; H131-L134 VanDerWaalsContact O-CG 3.31Å; H131-L134 WeakPolarHBondContact O-CG 3.47Å; H131-L134 PolarHBondContact O-N 3.34Å; H131-L134 VanDerWaalsContact O-N 3.12Å; A132-L134 PolarHBondContact O-N 2.79Å; L134-Q223 VanDerWaalsContact CD1-CD 3.46Å; L134-Q223 HydrophobicContact CD1-CG 3.77Å; L134-Q223 VanDerWaalsContact CD1-OE1 3.3Å; L134-V236 HydrophobicContact CD1-CG1 4.36Å; L134-V236 HydrophobicContact CD1-CG2 3.6Å; L134-V236 HydrophobicContact CD2-CB 4.39Å; L134-V236 HydrophobicContact CD2-CG1 3.7Å; L134-V236 HydrophobicContact CD2-CG2 3.79Å; L134-V236 HydrophobicContact CG-CG2 4.35Å
135Q97.1Very high98.3Very high155 Ų15541 Ų4172%0.72424%0.238SC*.SBendtrans-133.8173.7-179.3-62.3-62-41.900109.8A132A132-Q135 PolarHBondContact O-N 3.07Å
136A98.4Very high98.3Very high94 Ų9441 Ų4178%0.77724%0.238SC*.  trans-63.4137.4173.900000111.5P138A136-P138 VanDerWaalsContact C-CD 3.41Å; A136-P138 VanDerWaalsContact O-CD 3.24Å; A136-P138 WeakPolarHBondContact O-CD 3.41Å
137T98.3Very high98.3Very high16 Ų1641.5 Ų41.510%0.09824%0.241CC..  trans-119.362.2-176.360.60000112.8A132 T139 M140 L141 G144A132-T137 HydrophobicContact CB-CG2 4.46Å; A132-T137 WeakPolarHBondContact O-CG2 3.5Å; T137-T139 PolarHBondContact O-N 3.12Å; T137-M140 HydrophobicContact CG2-CE 3.84Å; T137-M140 HydrophobicContact CG2-CG 4.33Å; T137-M140 CarbonylContact O-C 3.48Å; T137-M140 PolarHBondContact O-N 3.12Å; T137-M140 PolarHBondContact OG1-O 3.17Å; T137-L141 PolarHBondContact O-N 3.42Å; T137-G144 WeakPolarHBondContact OG1-CA 3.38Å
138P98.1Very high98.2Very high84 Ų8443.5 Ų43.555%0.54526%0.257SS..THydrogen-bonded Turntrans-61.9-23-16825.1-35.5000114.9N87 A136N87-P138 VanDerWaalsContact CB-O 3.23Å; N87-P138 WeakPolarHBondContact CB-O 3.48Å; A136-P138 VanDerWaalsContact C-CD 3.41Å; A136-P138 VanDerWaalsContact O-CD 3.24Å; A136-P138 WeakPolarHBondContact O-CD 3.41Å
139T97.9Very high98.3Very high99 Ų9944.2 Ų44.261%0.60727%0.265SS*.THydrogen-bonded Turntrans-100.1-0.6-179.758.70000113.8G86 T137G86-T139 CarbonylContact C-O 3.46Å; G86-T139 PolarHBondContact N-O 3.37Å; G86-T139 CarbonylContact O-C 3.53Å; T137-T139 PolarHBondContact O-N 3.12Å
140M97.7Very high98.3Very high36 Ų3644.3 Ų44.318%0.17727%0.265CS..BIsolated β-bridgetrans-148.752.1-179.359.8-173.8165.700109.7W83 G86 A132 T137 G142 Y143 G144W83-M140 HydrophobicContact CZ2-CB 4.47Å; W83-M140 HydrophobicContact CZ2-SD 4.39Å; W83-M140 PolarHBondContact NE1-SD 3.06Å; W83-M140 VanDerWaalsContact NE1-SD 3.45Å; G86-M140 PolarHBondContact O-N 3.27Å; A132-M140 HydrophobicContact CB-CE 3.56Å; T137-M140 HydrophobicContact CG2-CE 3.84Å; T137-M140 HydrophobicContact CG2-CG 4.33Å; T137-M140 CarbonylContact O-C 3.48Å; T137-M140 PolarHBondContact O-N 3.12Å; T137-M140 PolarHBondContact OG1-O 3.17Å; M140-G142 PolarHBondContact O-N 3.16Å; M140-Y143 HydrophobicContact CG-CD1 4.26Å; M140-Y143 WeakPolarHBondContact O-CB 3.44Å; M140-Y143 PolarHBondContact O-N 2.81Å; M140-Y143 VanDerWaalsContact O-N 3.11Å; M140-Y143 HydrophobicContact SD-CD1 3.79Å; M140-Y143 HydrophobicContact SD-CE1 4.35Å; M140-G144 PolarHBondContact O-N 3.49Å
141L98.7Very high98.3Very high49 Ų4944.8 Ų44.826%0.25727%0.267SS..Hα-helixtrans-56.1-49-170.3-70.4173.2000112.3G86 A88 F93 T137 Y143 G144 M145G86-L141 PolarHBondContact O-N 2.71Å; A88-L141 HydrophobicContact CB-CD1 4.04Å; F93-L141 HydrophobicContact CD2-CB 4.37Å; F93-L141 HydrophobicContact CD2-CD1 4.35Å; F93-L141 HydrophobicContact CE2-CB 3.53Å; F93-L141 HydrophobicContact CE2-CD1 3.72Å; F93-L141 HydrophobicContact CE2-CG 4.28Å; F93-L141 HydrophobicContact CZ-CB 4.24Å; F93-L141 HydrophobicContact CZ-CD1 3.94Å; T137-L141 PolarHBondContact O-N 3.42Å; L141-Y143 VanDerWaalsContact C-N 3.31Å; L141-Y143 PolarHBondContact O-N 3.39Å; L141-G144 PolarHBondContact O-N 3.16Å; L141-M145 WeakPolarHBondContact O-CG 3.38Å; L141-M145 PolarHBondContact O-N 3.43Å
142G98.6Very high98.3Very high6 Ų646.8 Ų46.86%0.06228%0.276CS..Hα-helixtrans-59.5-39.8177.500000113.2M100 M140 A146M100-G142 WeakPolarHBondContact CB-O 3.35Å; M140-G142 PolarHBondContact O-N 3.16Å; G142-A146 WeakPolarHBondContact O-CB 3.26Å; G142-A146 PolarHBondContact O-N 2.94Å
143Y98.6Very high98.4Very high29 Ų2947.2 Ų47.211%0.11427%0.274CS..Hα-helixtrans-67.4-46.9178.2177.2-105.5000111.8G82 W83 M100 A130 A132 M140 L141 A146 K147G82-Y143 WeakPolarHBondContact O-CD2 3.38Å; G82-Y143 VanDerWaalsContact O-CE2 3.29Å; G82-Y143 WeakPolarHBondContact O-CE2 3.45Å; W83-Y143 HydrophobicContact CB-CD2 4.34Å; W83-Y143 HydrophobicContact CB-CE2 4.26Å; W83-Y143 AromaticContact CD1-CD1 3.7Å; W83-Y143 AromaticContact CD1-CD2 3.69Å; W83-Y143 AromaticContact CD1-CE1 3.73Å; W83-Y143 AromaticContact CD1-CE2 3.71Å; W83-Y143 AromaticContact CD1-CG 3.67Å; W83-Y143 AromaticContact CD1-CZ 3.72Å; W83-Y143 HydrophobicContact CG-CD2 4.3Å; W83-Y143 HydrophobicContact CG-CE2 4.38Å; W83-Y143 AromaticContact NE1-CD1 3.93Å; M100-Y143 HydrophobicContact SD-CD2 3.81Å; M100-Y143 HydrophobicContact SD-CG 4.46Å; A130-Y143 HydrophobicContact CB-CE1 3.93Å; A130-Y143 WeakPolarHBondContact CB-OH 3.48Å; A132-Y143 HydrophobicContact CB-CE1 4.31Å; M140-Y143 HydrophobicContact CG-CD1 4.26Å; M140-Y143 WeakPolarHBondContact O-CB 3.44Å; M140-Y143 PolarHBondContact O-N 2.81Å; M140-Y143 VanDerWaalsContact O-N 3.11Å; M140-Y143 HydrophobicContact SD-CD1 3.79Å; M140-Y143 HydrophobicContact SD-CE1 4.35Å; L141-Y143 VanDerWaalsContact C-N 3.31Å; L141-Y143 PolarHBondContact O-N 3.39Å; Y143-A146 PolarHBondContact O-N 3.49Å; Y143-K147 HydrophobicContact CD2-CG 4.09Å; Y143-K147 HydrophobicContact CE1-CG 4.17Å; Y143-K147 HydrophobicContact CE2-CD 4.26Å; Y143-K147 HydrophobicContact CE2-CG 3.67Å; Y143-K147 WeakPolarHBondContact O-CB 3.38Å; Y143-K147 WeakPolarHBondContact O-CG 3.33Å; Y143-K147 PolarHBondContact O-N 3.07Å
144G98.7Very high98.5Very high6 Ų646.4 Ų46.46%0.06227%0.268CS..Hα-helixtrans-60.3-46.8177.500000112.4T137 M140 L141 A146 K147 A148T137-G144 WeakPolarHBondContact OG1-CA 3.38Å; M140-G144 PolarHBondContact O-N 3.49Å; L141-G144 PolarHBondContact O-N 3.16Å; G144-A146 PolarHBondContact O-N 2.95Å; G144-K147 PolarHBondContact O-N 3.21Å; G144-A148 VanDerWaalsContact O-CB 3.27Å; G144-A148 WeakPolarHBondContact O-CB 3.45Å; G144-A148 PolarHBondContact O-N 3.39Å
145M98.8Very high98.6Very high104 Ų10449.8 Ų49.851%0.51228%0.281SS..Hα-helixtrans-56.9-49.2175.2-71.7-170-62.200111.8C97 L141 K147 A148 A149C97-M145 HydrophobicContact CB-CE 4.17Å; C97-M145 WeakPolarHBondContact SG-CE 3.34Å; L141-M145 WeakPolarHBondContact O-CG 3.38Å; L141-M145 PolarHBondContact O-N 3.43Å; M145-K147 PolarHBondContact O-N 2.77Å; M145-A148 PolarHBondContact O-N 3.43Å; M145-A149 PolarHBondContact O-N 3.42Å
146A98.9Very high98.6Very high1 Ų145.5 Ų45.51%0.00827%0.268CS..Hα-helixtrans-63.1-42.9-178.800000112.4M100 C104 V105 G142 Y143 G144 A149 V150M100-A146 HydrophobicContact CB-CB 3.88Å; C104-A146 HydrophobicContact CB-CB 4.05Å; V105-A146 HydrophobicContact CG2-CB 3.89Å; V105-A146 WeakPolarHBondContact CG2-O 3.44Å; G142-A146 WeakPolarHBondContact O-CB 3.26Å; G142-A146 PolarHBondContact O-N 2.94Å; Y143-A146 PolarHBondContact O-N 3.49Å; G144-A146 PolarHBondContact O-N 2.95Å; A146-A149 WeakPolarHBondContact O-CB 3.29Å; A146-A149 PolarHBondContact O-N 2.99Å; A146-V150 WeakPolarHBondContact O-CG2 3.29Å; A146-V150 PolarHBondContact O-N 2.85Å; A146-V150 VanDerWaalsContact O-N 3.15Å
147K98.8Very high98.7Very high10 Ų1041.9 Ų41.94%0.04324%0.235CC..Hα-helixtrans-74.3-32.8-179.6-70.6-64.9-166.6161.20113.1C104 T128 G129 A130 A133 Y143 G144 M145 A149 V150 H151C104-K147 HydrophobicContact CB-CD 4.46Å; T128-K147 PolarHBondContact O-NZ 3.2Å; G129-K147 PolarHBondContact O-NZ 3.23Å; A130-K147 HydrophobicContact CB-CB 3.93Å; A130-K147 HydrophobicContact CB-CD 4Å; A130-K147 HydrophobicContact CB-CG 3.7Å; A133-K147 HydrophobicContact CB-CB 3.58Å; Y143-K147 HydrophobicContact CD2-CG 4.09Å; Y143-K147 HydrophobicContact CE1-CG 4.17Å; Y143-K147 HydrophobicContact CE2-CD 4.26Å; Y143-K147 HydrophobicContact CE2-CG 3.67Å; Y143-K147 WeakPolarHBondContact O-CB 3.38Å; Y143-K147 WeakPolarHBondContact O-CG 3.33Å; Y143-K147 PolarHBondContact O-N 3.07Å; G144-K147 PolarHBondContact O-N 3.21Å; M145-K147 PolarHBondContact O-N 2.77Å; K147-A149 VanDerWaalsContact C-N 3.31Å; K147-V150 PolarHBondContact O-N 3.07Å; K147-H151 PolarHBondContact O-N 3.27Å
148A98.8Very high98.7Very high43 Ų4343 Ų4336%0.35525%0.246SC..Hα-helixtrans-64-36.9169.500000111.7G144 M145 V150 H151 Q152G144-A148 VanDerWaalsContact O-CB 3.27Å; G144-A148 WeakPolarHBondContact O-CB 3.45Å; G144-A148 PolarHBondContact O-N 3.39Å; M145-A148 PolarHBondContact O-N 3.43Å; A148-V150 VanDerWaalsContact C-N 3.34Å; A148-V150 PolarHBondContact O-N 3.4Å; A148-H151 WeakPolarHBondContact O-CB 3.47Å; A148-H151 PolarHBondContact O-N 2.9Å; A148-Q152 PolarHBondContact O-N 2.89Å
149A98.9Very high98.6Very high28 Ų2840.4 Ų40.423%0.23123%0.234CC..Hα-helixtrans-63.5-38.6172.500000112.2W101 V105 M145 A146 K147 Q152 L153W101-A149 HydrophobicContact CH2-CB 4.38Å; W101-A149 HydrophobicContact CZ3-CB 4.14Å; V105-A149 HydrophobicContact CG2-CB 4.01Å; M145-A149 PolarHBondContact O-N 3.42Å; A146-A149 WeakPolarHBondContact O-CB 3.29Å; A146-A149 PolarHBondContact O-N 2.99Å; K147-A149 VanDerWaalsContact C-N 3.31Å; A149-Q152 PolarHBondContact O-N 2.93Å; A149-L153 WeakPolarHBondContact O-CB 3.29Å; A149-L153 PolarHBondContact O-N 3.33Å
150V98.9Very high98.5Very high1 Ų141.3 Ų41.31%0.00624%0.242CC..Hα-helixtrans-64.4-41.2173.8176.90000111.6C104 S108 L127 A146 K147 A148 Q152 L153 T154C104-V150 WeakPolarHBondContact O-CG2 3.34Å; S108-V150 WeakPolarHBondContact OG-CG2 3.37Å; L127-V150 HydrophobicContact CB-CG1 3.89Å; L127-V150 HydrophobicContact CD1-CG1 4.32Å; A146-V150 WeakPolarHBondContact O-CG2 3.29Å; A146-V150 PolarHBondContact O-N 2.85Å; A146-V150 VanDerWaalsContact O-N 3.15Å; K147-V150 PolarHBondContact O-N 3.07Å; A148-V150 VanDerWaalsContact C-N 3.34Å; A148-V150 PolarHBondContact O-N 3.4Å; V150-Q152 VanDerWaalsContact C-N 3.34Å; V150-Q152 PolarHBondContact O-N 3.48Å; V150-L153 PolarHBondContact O-N 3.46Å; V150-T154 PolarHBondContact O-N 2.88Å; V150-T154 PolarHBondContact O-OG1 3.34Å
151H98.9Very high98.5Very high12 Ų1247.7 Ų47.76%0.05628%0.277CS..Hα-helixtrans-59.1-45.3173.1-70166.8000111.7A130 K147 A148 T154 K155 S174 I221A130-H151 PolarHBondContact N-NE2 3.05Å; A130-H151 PolarHBondContact O-CE1 2.98Å; A130-H151 VanDerWaalsContact O-CE1 3.24Å; K147-H151 PolarHBondContact O-N 3.27Å; A148-H151 WeakPolarHBondContact O-CB 3.47Å; A148-H151 PolarHBondContact O-N 2.9Å; H151-T154 WeakPolarHBondContact O-CB 3.44Å; H151-T154 PolarHBondContact O-N 3.2Å; H151-K155 PolarHBondContact O-N 3.47Å; H151-S174 PolarHBondContact NE2-OG 3.46Å; H151-I221 HydrophobicContact CB-CD1 3.51Å; H151-I221 HydrophobicContact CB-CG1 4.4Å
152Q98.9Very high98.5Very high118 Ų11847.5 Ų47.555%0.55128%0.28SS*.Hα-helixtrans-64.3-42.4176.7-177.4628.600112.3A148 A149 V150 T154 K155 S156A148-Q152 PolarHBondContact O-N 2.89Å; A149-Q152 PolarHBondContact O-N 2.93Å; V150-Q152 VanDerWaalsContact C-N 3.34Å; V150-Q152 PolarHBondContact O-N 3.48Å; Q152-T154 VanDerWaalsContact C-N 3.31Å; Q152-T154 PolarHBondContact O-N 3.01Å; Q152-K155 PolarHBondContact O-N 2.95Å; Q152-S156 WeakPolarHBondContact O-CB 3.27Å; Q152-S156 PolarHBondContact O-N 2.98Å; Q152-S156 PolarHBondContact O-OG 3.17Å
153L98.9Very high98.4Very high40 Ų4049.6 Ų49.621%0.20930%0.302CS..Hα-helixtrans-58.5-44.2175.7176.962.4000111A112 L127 A149 V150 K155 S156 L157A112-L153 HydrophobicContact CB-CD1 4.48Å; A112-L153 HydrophobicContact CB-CD2 4.39Å; L127-L153 HydrophobicContact CD1-CD2 3.9Å; L127-L153 HydrophobicContact CD1-CG 4.08Å; A149-L153 WeakPolarHBondContact O-CB 3.29Å; A149-L153 PolarHBondContact O-N 3.33Å; V150-L153 PolarHBondContact O-N 3.46Å; L153-K155 PolarHBondContact O-N 3.37Å; L153-S156 PolarHBondContact O-N 3.09Å; L153-L157 HydrophobicContact CD1-CD1 3.82Å; L153-L157 HydrophobicContact CD1-CD2 4.42Å; L153-L157 HydrophobicContact CD1-CG 3.89Å; L153-L157 HydrophobicContact CD2-CD1 4.47Å; L153-L157 HydrophobicContact CG-CD1 3.76Å; L153-L157 HydrophobicContact CG-CG 4.28Å; L153-L157 WeakPolarHBondContact O-CB 3.28Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.34Å; L153-L157 PolarHBondContact O-N 3.05Å
154T98.9Very high98.5Very high0 Ų049.2 Ų49.20%030%0.301CS..Hα-helixtrans-57.7-50.5179.2-54.50000111.5V150 H151 Q152 S156 L157 A158 V170 A172V150-T154 PolarHBondContact O-N 2.88Å; V150-T154 PolarHBondContact O-OG1 3.34Å; H151-T154 WeakPolarHBondContact O-CB 3.44Å; H151-T154 PolarHBondContact O-N 3.2Å; Q152-T154 VanDerWaalsContact C-N 3.31Å; Q152-T154 PolarHBondContact O-N 3.01Å; T154-S156 VanDerWaalsContact C-N 3.34Å; T154-S156 PolarHBondContact O-N 3.37Å; T154-L157 PolarHBondContact O-N 2.93Å; T154-A158 PolarHBondContact O-N 2.69Å; T154-V170 HydrophobicContact CG2-CG2 4.26Å; T154-A172 HydrophobicContact CG2-CB 3.71Å; T154-A172 WeakPolarHBondContact OG1-CB 3.36Å
155K98.8Very high98.4Very high115 Ų11550.5 Ų50.550%0.531%0.308SS..Hα-helixtrans-62.1-42.6177.4-68178.6177.2-179.60111.8H151 Q152 L153 L157 A158 I221H151-K155 PolarHBondContact O-N 3.47Å; Q152-K155 PolarHBondContact O-N 2.95Å; L153-K155 PolarHBondContact O-N 3.37Å; K155-L157 PolarHBondContact O-N 3.14Å; K155-A158 PolarHBondContact O-N 2.93Å; K155-I221 HydrophobicContact CD-CD1 4.48Å
156S98.8Very high98.2Very high64 Ų6453 Ų5345%0.44832%0.324SS..Hα-helixtrans-66.2-38.3-177.9-55.30000112.2Q152 L153 T154 A158 G159Q152-S156 WeakPolarHBondContact O-CB 3.27Å; Q152-S156 PolarHBondContact O-N 2.98Å; Q152-S156 PolarHBondContact O-OG 3.17Å; L153-S156 PolarHBondContact O-N 3.09Å; T154-S156 VanDerWaalsContact C-N 3.34Å; T154-S156 PolarHBondContact O-N 3.37Å; S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 3.24Å; S156-G159 PolarHBondContact O-N 3.4Å; S156-G159 VanDerWaalsContact O-N 3.14Å
157L98.9Very high98Very high18 Ų1856.1 Ų56.19%0.09436%0.356CS..Hα-helixtrans-68-24.9179.4-75.2169.9000113.5A112 L125 L127 L153 T154 K155 G159 S162 L164 V170A112-L157 HydrophobicContact CB-CD1 3.58Å; A112-L157 HydrophobicContact CB-CD2 4.04Å; A112-L157 HydrophobicContact CB-CG 4.42Å; L125-L157 HydrophobicContact CD2-CD1 3.93Å; L127-L157 HydrophobicContact CD1-CD1 4.3Å; L153-L157 HydrophobicContact CD1-CD1 3.82Å; L153-L157 HydrophobicContact CD1-CD2 4.42Å; L153-L157 HydrophobicContact CD1-CG 3.89Å; L153-L157 HydrophobicContact CD2-CD1 4.47Å; L153-L157 HydrophobicContact CG-CD1 3.76Å; L153-L157 HydrophobicContact CG-CG 4.28Å; L153-L157 WeakPolarHBondContact O-CB 3.28Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.34Å; L153-L157 PolarHBondContact O-N 3.05Å; T154-L157 PolarHBondContact O-N 2.93Å; K155-L157 PolarHBondContact O-N 3.14Å; L157-G159 VanDerWaalsContact C-N 3.29Å; L157-S162 WeakPolarHBondContact O-CB 3.48Å; L157-S162 PolarHBondContact O-OG 3.09Å; L157-L164 HydrophobicContact CB-CD1 3.92Å; L157-L164 HydrophobicContact CD2-CD1 4.34Å; L157-L164 HydrophobicContact CD2-CD2 4.34Å; L157-L164 HydrophobicContact CD2-CG 4.14Å; L157-V170 HydrophobicContact CB-CB 4.37Å; L157-V170 HydrophobicContact CB-CG1 3.82Å; L157-V170 HydrophobicContact CB-CG2 4.16Å; L157-V170 HydrophobicContact CD1-CG2 4.18Å
158A98.5Very high98Very high40 Ų4056.5 Ų56.533%0.33136%0.36SS..THydrogen-bonded Turntrans-78.1-15.7174.500000113.3T154 K155 S156 V170 S218 G219T154-A158 PolarHBondContact O-N 2.69Å; K155-A158 PolarHBondContact O-N 2.93Å; S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 3.24Å; A158-V170 HydrophobicContact CB-CG1 3.79Å; A158-S218 VanDerWaalsContact CB-C 3.41Å; A158-S218 WeakPolarHBondContact CB-O 3.48Å; A158-G219 VanDerWaalsContact CB-CA 3.4Å
159G97.7Very high98Very high29 Ų2955 Ų5530%0.29935%0.347SS..SBendtrans-69.2158.5177.700000113.1S156 L157 S162S156-G159 PolarHBondContact O-N 3.4Å; S156-G159 VanDerWaalsContact O-N 3.14Å; L157-G159 VanDerWaalsContact C-N 3.29Å; G159-S162 WeakPolarHBondContact O-CB 3.16Å; G159-S162 PolarHBondContact O-N 2.84Å; G159-S162 PolarHBondContact O-OG 3.15Å
160P95.6Very high98Very high119 Ų11953.6 Ų53.677%0.77334%0.336SS*.THydrogen-bonded Turntrans-61.1149.4174.828.1-35.2000110.9S162P160-S162 PolarHBondContact O-N 3.32Å
161N96.5Very high98Very high170 Ų17053.6 Ų53.691%0.90934%0.335SS*.THydrogen-bonded Turntrans62.518.2180-48.3-51.7000115.1G163N161-G163 PolarHBondContact O-N 3.12Å
162S98.3Very high98Very high45 Ų4553 Ų5332%0.31533%0.333SS..SBendtrans-66.4-14.2176.766.40000114.4L157 G159 P160 L164L157-S162 WeakPolarHBondContact O-CB 3.48Å; L157-S162 PolarHBondContact O-OG 3.09Å; G159-S162 WeakPolarHBondContact O-CB 3.16Å; G159-S162 PolarHBondContact O-N 2.84Å; G159-S162 PolarHBondContact O-OG 3.15Å; P160-S162 PolarHBondContact O-N 3.32Å; S162-L164 VanDerWaalsContact C-N 3.33Å; S162-L164 PolarHBondContact OG-N 2.78Å
163G98.4Very high98Very high50 Ų5047.4 Ų47.452%0.51531%0.306SS..SBendtrans86.6-1.8-174.200000114S116 N161S116-G163 VanDerWaalsContact CB-O 3.31Å; S116-G163 WeakPolarHBondContact CB-O 3.18Å; N161-G163 PolarHBondContact O-N 3.12Å
164L98.7Very high98Very high21 Ų2145.5 Ų45.511%0.1130%0.296CS..SBendtrans-73.1151.1169.1-65.8-167.5000111.5A115 L125 L157 S162 V170A115-L164 HydrophobicContact CB-CD2 3.63Å; L125-L164 HydrophobicContact CD2-CD1 4.46Å; L157-L164 HydrophobicContact CB-CD1 3.92Å; L157-L164 HydrophobicContact CD2-CD1 4.34Å; L157-L164 HydrophobicContact CD2-CD2 4.34Å; L157-L164 HydrophobicContact CD2-CG 4.14Å; S162-L164 VanDerWaalsContact C-N 3.33Å; S162-L164 PolarHBondContact OG-N 2.78Å; L164-V170 HydrophobicContact CD1-CB 4.02Å; L164-V170 HydrophobicContact CD1-CG1 4.19Å
165P98.1Very high97.9Very high32 Ų3245.9 Ų45.921%0.20830%0.299CS..PPolyproline II helixtrans-57.8140.6176.7-23.733.3000112.7L119 G167 S168L119-P165 HydrophobicContact CB-CG 4.24Å; L119-P165 WeakPolarHBondContact O-CG 3.44Å; P165-G167 PolarHBondContact O-N 3.4Å; P165-S168 WeakPolarHBondContact O-CB 3.39Å; P165-S168 PolarHBondContact O-N 3.21Å; P165-S168 PolarHBondContact O-OG 3.12Å
166N94.1Very high97.7Very high156 Ų15642.8 Ų42.883%0.83430%0.295SS*.THydrogen-bonded Turntrans-58.6127.4172.7-69.1-21.1000110.4
167G94.8Very high97.5Very high67 Ų6742 Ų4269%0.69129%0.287SS*.THydrogen-bonded Turntrans91-8.2-17800000114.8A121 P165A121-G167 CarbonylContact O-C 3.58Å; A121-G167 VanDerWaalsContact O-CA 3.29Å; A121-G167 WeakPolarHBondContact O-CA 3.38Å; P165-G167 PolarHBondContact O-N 3.4Å
168S98.3Very high97.5Very high18 Ų1842.2 Ų42.213%0.12629%0.289CS..  trans-74.1158.3174.667.90000110.8A121 G123 P165A121-S168 PolarHBondContact O-N 2.88Å; G123-S168 WeakPolarHBondContact O-CA 3.25Å; G123-S168 WeakPolarHBondContact O-CB 3.33Å; P165-S168 WeakPolarHBondContact O-CB 3.39Å; P165-S168 PolarHBondContact O-N 3.21Å; P165-S168 PolarHBondContact O-OG 3.12Å
169C98.8Very high97.4Very high11 Ų1141.9 Ų41.97%0.07428%0.281CS..EExtended strand (participates in β ladder)trans-119.5137.3178.4-178.80000109.7G123 L124 L125G123-C169 PolarHBondContact O-N 3.31Å; L124-C169 CarbonylContact C-O 2.83Å; L124-C169 WeakPolarHBondContact CA-O 3.33Å; L124-C169 HydrophobicContact CD1-CB 4.06Å; L125-C169 PolarHBondContact N-O 3.22Å
170V98.9Very high97.3Very high0 Ų040.9 Ų40.90%027%0.27CS..EExtended strand (participates in β ladder)trans-116.6133.717058.90000109.6L125 T154 L157 A158 L164 S218 G219L125-V170 HydrophobicContact CB-CB 4.3Å; L125-V170 HydrophobicContact CB-CG2 4.2Å; L125-V170 HydrophobicContact CD2-CB 4.4Å; L125-V170 HydrophobicContact CD2-CG2 3.76Å; L125-V170 HydrophobicContact CG-CG2 3.96Å; L125-V170 CarbonylContact O-C 3.6Å; L125-V170 VanDerWaalsContact O-CA 3.26Å; L125-V170 WeakPolarHBondContact O-CA 3.31Å; T154-V170 HydrophobicContact CG2-CG2 4.26Å; L157-V170 HydrophobicContact CB-CB 4.37Å; L157-V170 HydrophobicContact CB-CG1 3.82Å; L157-V170 HydrophobicContact CB-CG2 4.16Å; L157-V170 HydrophobicContact CD1-CG2 4.18Å; A158-V170 HydrophobicContact CB-CG1 3.79Å; L164-V170 HydrophobicContact CD1-CB 4.02Å; L164-V170 HydrophobicContact CD1-CG1 4.19Å; V170-S218 PolarHBondContact N-OG 3.42Å; V170-S218 CarbonylContact O-C 3.53Å; V170-S218 WeakPolarHBondContact O-CA 3.45Å; V170-G219 PolarHBondContact O-N 3.04Å
171L98.9Very high97.3Very high0 Ų040.4 Ų40.40%027%0.266CS..EExtended strand (participates in β ladder)trans-134.9161.3177.1-61.2174.3000109.6L124 L125 V126 L127 W208 P216 E217L124-L171 HydrophobicContact CD1-CD1 4.03Å; L124-L171 HydrophobicContact CD1-CG 4.29Å; L125-L171 PolarHBondContact O-N 2.88Å; V126-L171 CarbonylContact C-O 3.52Å; V126-L171 WeakPolarHBondContact CA-O 3.46Å; L127-L171 PolarHBondContact N-O 3.29Å; L171-W208 HydrophobicContact CD1-CD2 3.94Å; L171-W208 HydrophobicContact CD1-CE3 3.79Å; L171-W208 HydrophobicContact CD1-CH2 4.33Å; L171-W208 HydrophobicContact CD1-CZ2 4.47Å; L171-W208 HydrophobicContact CD1-CZ3 3.99Å; L171-P216 HydrophobicContact CD1-CG 4.41Å; L171-P216 HydrophobicContact CD2-CB 4Å; L171-P216 HydrophobicContact CD2-CG 4.43Å; L171-E217 WeakPolarHBondContact CD2-O 3.41Å
172A98.9Very high97.1Very high0 Ų037.6 Ų37.60%025%0.249CC..EExtended strand (participates in β ladder)trans-124.6129.8162.200000110.6L127 T154 S220 I221 I222L127-A172 HydrophobicContact CB-CB 4.38Å; L127-A172 VanDerWaalsContact O-CA 3.26Å; L127-A172 WeakPolarHBondContact O-CA 3.44Å; T154-A172 HydrophobicContact CG2-CB 3.71Å; T154-A172 WeakPolarHBondContact OG1-CB 3.36Å; A172-S220 PolarHBondContact N-O 3.15Å; A172-I221 HydrophobicContact CB-CG1 4.49Å; A172-I221 CarbonylContact O-C 3.59Å; A172-I221 WeakPolarHBondContact O-CA 3.44Å; A172-I222 PolarHBondContact O-N 3.46Å
173I98.8Very high96.9Very high0 Ų037.7 Ų37.70%025%0.246CC..EExtended strand (participates in β ladder)trans-74.5145.1159.257165.4000109L15 V126 L127 T128 G129 P175 V201 L204 F205 W208 I222 L224L15-I173 HydrophobicContact CD2-CD1 4.39Å; V126-I173 HydrophobicContact CG1-CG2 4.29Å; L127-I173 PolarHBondContact O-N 3.05Å; T128-I173 HydrophobicContact CG2-CD1 4.24Å; T128-I173 HydrophobicContact CG2-CG1 4.21Å; G129-I173 WeakPolarHBondContact CA-O 3.42Å; G129-I173 PolarHBondContact N-O 2.95Å; I173-P175 VanDerWaalsContact C-CD 3.43Å; I173-P175 WeakPolarHBondContact O-CD 3.49Å; I173-V201 HydrophobicContact CD1-CG1 3.71Å; I173-L204 HydrophobicContact CG2-CD2 4.36Å; I173-F205 HydrophobicContact CD1-CE1 4.1Å; I173-F205 HydrophobicContact CD1-CZ 3.78Å; I173-F205 HydrophobicContact CG1-CE1 4.44Å; I173-F205 HydrophobicContact CG1-CZ 4.37Å; I173-F205 HydrophobicContact CG2-CE1 3.82Å; I173-W208 HydrophobicContact CG2-CH2 3.91Å; I173-W208 HydrophobicContact CG2-CZ3 3.84Å; I173-I222 CarbonylContact C-O 3.56Å; I173-L224 HydrophobicContact CB-CD1 4.06Å; I173-L224 HydrophobicContact CB-CG 4.31Å; I173-L224 HydrophobicContact CD1-CD1 4.25Å; I173-L224 HydrophobicContact CG2-CD1 4.16Å; I173-L224 HydrophobicContact CG2-CD2 4.33Å; I173-L224 HydrophobicContact CG2-CG 4.47Å
174S98.5Very high96.8Very high0 Ų040.3 Ų40.30%024%0.24CC..EExtended strand (participates in β ladder)trans-125.970.2179.6-158.90000108A130 H131 H151 I222 Q223 L224A130-S174 PolarHBondContact O-OG 3.41Å; A130-S174 VanDerWaalsContact O-OG 3.06Å; H131-S174 WeakPolarHBondContact CA-OG 3.35Å; H131-S174 PolarHBondContact N-OG 2.99Å; H131-S174 VanDerWaalsContact N-OG 3.12Å; H151-S174 PolarHBondContact NE2-OG 3.46Å; S174-I222 WeakPolarHBondContact CB-O 3.34Å; S174-I222 PolarHBondContact N-O 3.34Å; S174-Q223 WeakPolarHBondContact O-CA 2.81Å; S174-L224 PolarHBondContact O-N 2.91Å
175P97.8Very high96.6Very high9 Ų947.6 Ų47.66%0.05827%0.271CS..EExtended strand (participates in β ladder)trans-67.9149.1-176.328.6-34.9000111T128 H131 I173 L178 L224T128-P175 HydrophobicContact CG2-CG 4.19Å; H131-P175 WeakPolarHBondContact CB-O 3.35Å; H131-P175 PolarHBondContact N-O 3.44Å; I173-P175 VanDerWaalsContact C-CD 3.43Å; I173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-L178 HydrophobicContact CB-CD2 3.65Å; P175-L178 HydrophobicContact CB-CG 4.04Å; P175-L178 HydrophobicContact CG-CD2 4.42Å; P175-L178 HydrophobicContact CG-CG 4.46Å; P175-L224 HydrophobicContact CB-CD1 4.39Å
176A94.3Very high96.3Very high50 Ų5055.7 Ų55.741%0.41330%0.298SS..SBendtrans-76.6-132.8155.700000108.9H131 L178H131-A176 HydrophobicContact CB-CB 4.29Å; A176-L178 PolarHBondContact O-N 2.8Å
177T95.5Very high96.3Very high46 Ų4651.9 Ų51.928%0.28228%0.276SS..SBendtrans-78.3118.2175.6-53.60000110.2N183 M187 W195 T196T177-N183 HydrophobicContact CG2-CB 4.42Å; T177-M187 HydrophobicContact CG2-CE 3.88Å; T177-W195 HydrophobicContact CG2-CD2 3.63Å; T177-W195 VanDerWaalsContact CG2-CE2 3.49Å; T177-W195 HydrophobicContact CG2-CE3 4.22Å; T177-W195 HydrophobicContact CG2-CG 3.83Å; T177-W195 HydrophobicContact CG2-CZ2 3.96Å; T177-W195 CarbonylContact O-C 3.5Å; T177-W195 VanDerWaalsContact O-CA 3.26Å; T177-W195 WeakPolarHBondContact O-CA 3.26Å; T177-W195 WeakPolarHBondContact O-CB 3.36Å; T177-T196 PolarHBondContact O-N 3.43Å
178L97.5Very high96.3Very high24 Ų2452.9 Ų52.913%0.12627%0.27CS..EExtended strand (participates in β ladder)trans-74.7140.1169-64.1179.9000110.3L15 P175 A176 T180 N183 T196 V201L15-L178 HydrophobicContact CB-CD1 4.24Å; L15-L178 HydrophobicContact CD2-CD1 3.9Å; P175-L178 HydrophobicContact CB-CD2 3.65Å; P175-L178 HydrophobicContact CB-CG 4.04Å; P175-L178 HydrophobicContact CG-CD2 4.42Å; P175-L178 HydrophobicContact CG-CG 4.46Å; A176-L178 PolarHBondContact O-N 2.8Å; L178-T180 HydrophobicContact CB-CG2 3.99Å; L178-T180 PolarHBondContact O-N 3.46Å; L178-N183 PolarHBondContact O-ND2 3.26Å; L178-T196 WeakPolarHBondContact CA-O 3.19Å; L178-T196 HydrophobicContact CD2-CG2 4.29Å; L178-V201 HydrophobicContact CD2-CG2 3.99Å
179D97.2Very high96.2Very high32 Ų3261.9 Ų61.917%0.17131%0.307CS..EExtended strand (participates in β ladder)trans-77.891.5175.9-170.38000110.4R184 W195 T196D179-R184 IonicContact OD1-CZ 3.36Å; D179-R184 IonicContact OD1-NE 2.68Å; D179-R184 PolarHBondContact OD1-NE 2.77Å; D179-R184 IonicContact OD1-NH2 2.71Å; D179-R184 PolarHBondContact OD1-NH2 3.36Å; D179-R184 IonicContact OD2-CZ 3.53Å; D179-R184 IonicContact OD2-NE 3.55Å; D179-R184 IonicContact OD2-NH2 2.69Å; D179-R184 PolarHBondContact OD2-NH2 2.9Å; D179-W195 HydrophobicContact CB-CB 3.88Å; D179-W195 HydrophobicContact CB-CE3 4.41Å; D179-T196 PolarHBondContact N-O 3.19Å
180T95.7Very high96Very high9 Ų963 Ų636%0.05532%0.318CS..  trans-120.7151.6-179.267.20000110.5C14 L178 M182 N183 R184 T198C14-T180 HydrophobicContact CB-CG2 3.59Å; L178-T180 HydrophobicContact CB-CG2 3.99Å; L178-T180 PolarHBondContact O-N 3.46Å; T180-M182 PolarHBondContact O-N 2.77Å; T180-N183 PolarHBondContact O-N 3.39Å; T180-N183 VanDerWaalsContact O-N 3.1Å; T180-N183 WeakPolarHBondContact OG1-CB 3.43Å; T180-N183 VanDerWaalsContact OG1-CG 3.26Å; T180-N183 PolarHBondContact OG1-N 2.75Å; T180-N183 PolarHBondContact OG1-ND2 2.9Å; T180-R184 PolarHBondContact O-N 3.47Å; T180-T198 HydrophobicContact CG2-CG2 3.95Å
181P94.2Very high95.8Very high108 Ų10867.9 Ų67.970%0.70134%0.343SS*.Hα-helixtrans-54.3-36.9174.5-27.335.1000112.7K185P181-K185 WeakPolarHBondContact O-CB 3.31Å; P181-K185 PolarHBondContact O-N 2.95Å
182M92.7Very high95.5Very high112 Ų11269.8 Ų69.855%0.55235%0.352SS*.Hα-helixtrans-64.8-51.7175.9-171.6173.4-65.800111.2T180 R184 K185 W186T180-M182 PolarHBondContact O-N 2.77Å; M182-R184 VanDerWaalsContact C-N 3.29Å; M182-R184 PolarHBondContact O-N 2.91Å; M182-K185 WeakPolarHBondContact O-CB 3.41Å; M182-K185 PolarHBondContact O-N 2.95Å; M182-K185 VanDerWaalsContact O-N 3.08Å; M182-W186 PolarHBondContact O-N 3.11Å
183N93.9Very high95.3Very high47 Ų4771.8 Ų71.825%0.25137%0.366SS..Hα-helixtrans-60.4-39.4178.5-73.4-15.8000112.1T177 L178 T180 K185 W186 M187 W195T177-N183 HydrophobicContact CG2-CB 4.42Å; L178-N183 PolarHBondContact O-ND2 3.26Å; T180-N183 PolarHBondContact O-N 3.39Å; T180-N183 VanDerWaalsContact O-N 3.1Å; T180-N183 WeakPolarHBondContact OG1-CB 3.43Å; T180-N183 VanDerWaalsContact OG1-CG 3.26Å; T180-N183 PolarHBondContact OG1-N 2.75Å; T180-N183 PolarHBondContact OG1-ND2 2.9Å; N183-K185 VanDerWaalsContact C-N 3.33Å; N183-K185 PolarHBondContact O-N 2.86Å; N183-W186 PolarHBondContact O-N 3.4Å; N183-M187 HydrophobicContact CB-CE 3.94Å; N183-M187 PolarHBondContact O-N 2.86Å; N183-W195 HydrophobicContact CB-CE3 4.49Å; N183-W195 HydrophobicContact CB-CH2 4.04Å; N183-W195 HydrophobicContact CB-CZ3 3.82Å; N183-W195 WeakPolarHBondContact O-CH2 3.36Å
184R96.2Very high95.2Very high104 Ų10474 Ų7439%0.39238%0.382SS..Hα-helixtrans-61.2-40.5174.8-73.2-172.9175.9-105.62112.3D179 T180 M182 M187 P188 H192 W195D179-R184 IonicContact OD1-CZ 3.36Å; D179-R184 IonicContact OD1-NE 2.68Å; D179-R184 PolarHBondContact OD1-NE 2.77Å; D179-R184 IonicContact OD1-NH2 2.71Å; D179-R184 PolarHBondContact OD1-NH2 3.36Å; D179-R184 IonicContact OD2-CZ 3.53Å; D179-R184 IonicContact OD2-NE 3.55Å; D179-R184 IonicContact OD2-NH2 2.69Å; D179-R184 PolarHBondContact OD2-NH2 2.9Å; T180-R184 PolarHBondContact O-N 3.47Å; M182-R184 VanDerWaalsContact C-N 3.29Å; M182-R184 PolarHBondContact O-N 2.91Å; R184-M187 CarbonylContact O-C 3.58Å; R184-P188 VanDerWaalsContact O-CA 3.22Å; R184-P188 WeakPolarHBondContact O-CA 3.39Å; R184-H192 PolarHBondContact NH1-ND1 3.11Å; R184-W195 HydrophobicContact CB-CZ3 4.32Å; R184-W195 HydrophobicContact CG-CE3 4.31Å; R184-W195 HydrophobicContact CG-CZ3 3.62Å
185K94.7Very high95.2Very high175 Ų17574.6 Ų74.676%0.76138%0.384SS*.Hα-helixtrans-64.4-40.2176.7-176.1179178.5-179.30112.3P181 M182 N183P181-K185 WeakPolarHBondContact O-CB 3.31Å; P181-K185 PolarHBondContact O-N 2.95Å; M182-K185 WeakPolarHBondContact O-CB 3.41Å; M182-K185 PolarHBondContact O-N 2.95Å; M182-K185 VanDerWaalsContact O-N 3.08Å; N183-K185 VanDerWaalsContact C-N 3.33Å; N183-K185 PolarHBondContact O-N 2.86Å
186W91.8Very high95.2Very high201 Ų20174.2 Ų74.276%0.76138%0.382SS*.Hα-helixtrans-81.3-30-178.2-76.672.2000113.3M182 N183 P188M182-W186 PolarHBondContact O-N 3.11Å; N183-W186 PolarHBondContact O-N 3.4Å; W186-P188 VanDerWaalsContact C-CD 3.41Å; W186-P188 WeakPolarHBondContact O-CD 3.44Å
187M94.9Very high95.4Very high76 Ų7673.6 Ų73.637%0.37437%0.374SS..  trans-127.261.6-178.9-60.7177.5-75.400111.3T177 N183 R184 K189 A190 H192 W195T177-M187 HydrophobicContact CG2-CE 3.88Å; N183-M187 HydrophobicContact CB-CE 3.94Å; N183-M187 PolarHBondContact O-N 2.86Å; R184-M187 CarbonylContact O-C 3.58Å; M187-K189 VanDerWaalsContact C-N 3.25Å; M187-K189 PolarHBondContact O-N 2.99Å; M187-A190 HydrophobicContact CB-CB 4Å; M187-A190 WeakPolarHBondContact O-CB 3.32Å; M187-A190 PolarHBondContact O-N 3.45Å; M187-H192 PolarHBondContact O-NE2 3.47Å; M187-W195 HydrophobicContact CB-CH2 3.81Å; M187-W195 HydrophobicContact CB-CZ2 3.84Å; M187-W195 HydrophobicContact CE-CH2 3.95Å; M187-W195 HydrophobicContact CE-CZ2 3.75Å; M187-W195 HydrophobicContact SD-CZ2 4.24Å
188P94.5Very high95.5Very high88 Ų8871.8 Ų71.857%0.57136%0.362SS*.THydrogen-bonded Turntrans-67.9-23.6-172.326.7-35.4000113.8R184 W186R184-P188 VanDerWaalsContact O-CA 3.22Å; R184-P188 WeakPolarHBondContact O-CA 3.39Å; W186-P188 VanDerWaalsContact C-CD 3.41Å; W186-P188 WeakPolarHBondContact O-CD 3.44Å
189K95.7Very high95.5Very high207 Ų20775.4 Ų75.490%0.938%0.378SS*.THydrogen-bonded Turntrans-95.20.2-179.6-58.2-175.4-178-179.30113.8M187M187-K189 VanDerWaalsContact C-N 3.25Å; M187-K189 PolarHBondContact O-N 2.99Å
190A94.6Very high95.5Very high36 Ų3678.2 Ų78.230%0.29839%0.389SS..SBendtrans-70.8156.7178.800000111.3M187 H192 W195M187-A190 HydrophobicContact CB-CB 4Å; M187-A190 WeakPolarHBondContact O-CB 3.32Å; M187-A190 PolarHBondContact O-N 3.45Å; A190-H192 PolarHBondContact O-CD2 3.07Å; A190-H192 VanDerWaalsContact O-CD2 3.23Å; A190-H192 PolarHBondContact O-N 3.34Å; A190-H192 PolarHBondContact O-NE2 2.96Å; A190-W195 HydrophobicContact CB-CH2 4.25Å; A190-W195 HydrophobicContact CB-CZ2 3.42Å; A190-W195 VanDerWaalsContact CB-CZ2 3.42Å
191N94.6Very high95.7Very high101 Ų10177.9 Ų77.954%0.5439%0.387SS..  trans-73.792.8172.2179.520.1000110.6S193 S194N191-S193 PolarHBondContact ND2-OG 3.47Å; N191-S193 PolarHBondContact O-N 3.37Å; N191-S193 PolarHBondContact OD1-N 3.31Å; N191-S193 PolarHBondContact OD1-OG 3.39Å; N191-S194 PolarHBondContact O-N 3.33Å; N191-S194 VanDerWaalsContact O-N 3.15Å; N191-S194 PolarHBondContact O-OG 3.34Å
192H94.6Very high95.9Very high40 Ų4072.7 Ų72.719%0.18535%0.354CS..G310 helixtrans-66.5-16.2-177.6-54.6151.3000113.6R184 M187 A190 S194 W195R184-H192 PolarHBondContact NH1-ND1 3.11Å; M187-H192 PolarHBondContact O-NE2 3.47Å; A190-H192 PolarHBondContact O-CD2 3.07Å; A190-H192 VanDerWaalsContact O-CD2 3.23Å; A190-H192 PolarHBondContact O-N 3.34Å; A190-H192 PolarHBondContact O-NE2 2.96Å; H192-S194 PolarHBondContact O-N 2.95Å; H192-W195 HydrophobicContact CB-CD2 4.49Å; H192-W195 HydrophobicContact CB-CE3 4.37Å; H192-W195 AromaticContact CD2-CD2 3.86Å; H192-W195 AromaticContact CD2-CE2 3.81Å; H192-W195 AromaticContact CD2-CE3 3.64Å; H192-W195 AromaticContact CD2-CH2 3.38Å; H192-W195 WeakPolarHBondContact CD2-CH2 3.35Å; H192-W195 AromaticContact CD2-CZ2 3.62Å; H192-W195 AromaticContact CD2-CZ3 3.41Å; H192-W195 VanDerWaalsContact CD2-CZ3 3.41Å; H192-W195 WeakPolarHBondContact CD2-CZ3 3.33Å; H192-W195 AromaticContact NE2-CH2 3.55Å; H192-W195 AromaticContact NE2-CZ3 3.78Å; H192-W195 WeakPolarHBondContact O-CB 3.47Å; H192-W195 PolarHBondContact O-N 2.82Å; H192-W195 VanDerWaalsContact O-N 3.09Å
193S94.6Very high96.2Very high43 Ų4371.2 Ų71.230%0.30135%0.345SS..G310 helixtrans-69.2-11.3174.177.70000113.5N191 N228 G229N191-S193 PolarHBondContact ND2-OG 3.47Å; N191-S193 PolarHBondContact O-N 3.37Å; N191-S193 PolarHBondContact OD1-N 3.31Å; N191-S193 PolarHBondContact OD1-OG 3.39Å; S193-N228 PolarHBondContact O-N 3.41Å; S193-G229 PolarHBondContact O-N 2.9Å
194S95.8Very high96.4Very high47 Ų4770.1 Ų70.133%0.32934%0.339SS..G310 helixtrans-94.30173.268.30000113.7N191 H192 T226N191-S194 PolarHBondContact O-N 3.33Å; N191-S194 VanDerWaalsContact O-N 3.15Å; N191-S194 PolarHBondContact O-OG 3.34Å; H192-S194 PolarHBondContact O-N 2.95Å; S194-T226 CarbonylContact C-O 3.49Å; S194-T226 WeakPolarHBondContact CA-O 3.23Å
195W97.8Very high96.5Very high11 Ų1165.2 Ų65.24%0.04232%0.321CS..SBendtrans-96.7138.6-177.6-64.41.7000110.7T177 D179 N183 R184 M187 A190 H192 P197 T226T177-W195 HydrophobicContact CG2-CD2 3.63Å; T177-W195 VanDerWaalsContact CG2-CE2 3.49Å; T177-W195 HydrophobicContact CG2-CE3 4.22Å; T177-W195 HydrophobicContact CG2-CG 3.83Å; T177-W195 HydrophobicContact CG2-CZ2 3.96Å; T177-W195 CarbonylContact O-C 3.5Å; T177-W195 VanDerWaalsContact O-CA 3.26Å; T177-W195 WeakPolarHBondContact O-CA 3.26Å; T177-W195 WeakPolarHBondContact O-CB 3.36Å; D179-W195 HydrophobicContact CB-CB 3.88Å; D179-W195 HydrophobicContact CB-CE3 4.41Å; N183-W195 HydrophobicContact CB-CE3 4.49Å; N183-W195 HydrophobicContact CB-CH2 4.04Å; N183-W195 HydrophobicContact CB-CZ3 3.82Å; N183-W195 WeakPolarHBondContact O-CH2 3.36Å; R184-W195 HydrophobicContact CB-CZ3 4.32Å; R184-W195 HydrophobicContact CG-CE3 4.31Å; R184-W195 HydrophobicContact CG-CZ3 3.62Å; M187-W195 HydrophobicContact CB-CH2 3.81Å; M187-W195 HydrophobicContact CB-CZ2 3.84Å; M187-W195 HydrophobicContact CE-CH2 3.95Å; M187-W195 HydrophobicContact CE-CZ2 3.75Å; M187-W195 HydrophobicContact SD-CZ2 4.24Å; A190-W195 HydrophobicContact CB-CH2 4.25Å; A190-W195 HydrophobicContact CB-CZ2 3.42Å; A190-W195 VanDerWaalsContact CB-CZ2 3.42Å; H192-W195 HydrophobicContact CB-CD2 4.49Å; H192-W195 HydrophobicContact CB-CE3 4.37Å; H192-W195 AromaticContact CD2-CD2 3.86Å; H192-W195 AromaticContact CD2-CE2 3.81Å; H192-W195 AromaticContact CD2-CE3 3.64Å; H192-W195 AromaticContact CD2-CH2 3.38Å; H192-W195 WeakPolarHBondContact CD2-CH2 3.35Å; H192-W195 AromaticContact CD2-CZ2 3.62Å; H192-W195 AromaticContact CD2-CZ3 3.41Å; H192-W195 VanDerWaalsContact CD2-CZ3 3.41Å; H192-W195 WeakPolarHBondContact CD2-CZ3 3.33Å; H192-W195 AromaticContact NE2-CH2 3.55Å; H192-W195 AromaticContact NE2-CZ3 3.78Å; H192-W195 WeakPolarHBondContact O-CB 3.47Å; H192-W195 PolarHBondContact O-N 2.82Å; H192-W195 VanDerWaalsContact O-N 3.09Å; W195-P197 VanDerWaalsContact O-CD 3.31Å; W195-P197 WeakPolarHBondContact O-CD 3.45Å; W195-T226 WeakPolarHBondContact O-CG2 3.46Å
196T98.2Very high96.7Very high1 Ų157.2 Ų57.21%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-75.5119.4-178.2-53.80000110.8T177 L178 D179 T198 V201 L224 T226 T231T177-T196 PolarHBondContact O-N 3.43Å; L178-T196 WeakPolarHBondContact CA-O 3.19Å; L178-T196 HydrophobicContact CD2-CG2 4.29Å; D179-T196 PolarHBondContact N-O 3.19Å; T196-T198 PolarHBondContact O-N 3.05Å; T196-V201 HydrophobicContact CG2-CG2 3.89Å; T196-L224 HydrophobicContact CG2-CB 4.23Å; T196-L224 HydrophobicContact CG2-CD1 4.32Å; T196-T226 WeakPolarHBondContact CA-OG1 3.28Å; T196-T226 WeakPolarHBondContact CB-OG1 3.48Å; T196-T226 PolarHBondContact OG1-OG1 3.14Å; T196-T231 HydrophobicContact CG2-CG2 3.75Å
197P98Very high97Very high38 Ų3849.9 Ų49.925%0.24726%0.264CS..EExtended strand (participates in β ladder)trans-60.1135175.1-22.934.8000111.4W195 E199 K200 V201W195-P197 VanDerWaalsContact O-CD 3.31Å; W195-P197 WeakPolarHBondContact O-CD 3.45Å; P197-E199 VanDerWaalsContact C-N 3.25Å; P197-E199 PolarHBondContact O-N 2.82Å; P197-K200 HydrophobicContact CB-CB 4.23Å; P197-K200 WeakPolarHBondContact O-CB 3.46Å; P197-K200 PolarHBondContact O-N 2.67Å; P197-K200 VanDerWaalsContact O-N 3.07Å; P197-V201 PolarHBondContact O-N 3.09Å
198T98.4Very high97.2Very high7 Ų746.7 Ų46.74%0.04325%0.248CC..Hα-helixtrans-63.1-33179.238.40000112.8L15 T180 T196 K200 V201 A202L15-T198 HydrophobicContact CB-CG2 4.31Å; L15-T198 HydrophobicContact CD1-CG2 3.94Å; T180-T198 HydrophobicContact CG2-CG2 3.95Å; T196-T198 PolarHBondContact O-N 3.05Å; T198-K200 PolarHBondContact O-N 3.05Å; T198-V201 WeakPolarHBondContact O-CB 3.4Å; T198-V201 PolarHBondContact O-N 2.69Å; T198-A202 PolarHBondContact O-N 2.68Å; T198-A202 VanDerWaalsContact O-N 3.07Å
199E97.9Very high97.3Very high100 Ų10042.8 Ų42.847%0.46722%0.222SC..Hα-helixtrans-61.5-37.7175-66.969.4-156.500110.4V18 P197 V201 A202 E203V18-E199 HydrophobicContact CG1-CG 4.02Å; P197-E199 VanDerWaalsContact C-N 3.25Å; P197-E199 PolarHBondContact O-N 2.82Å; E199-V201 VanDerWaalsContact C-N 3.3Å; E199-V201 PolarHBondContact O-N 3.31Å; E199-A202 PolarHBondContact O-N 3.29Å; E199-E203 WeakPolarHBondContact O-CG 3.39Å; E199-E203 PolarHBondContact O-N 2.87Å
200K97.8Very high97.3Very high92 Ų9237.4 Ų37.440%0.420%0.2SC..Hα-helixtrans-67-34.7178.5-170.255.9-179.6177.20112.3P197 T198 E203 L204 T231P197-K200 HydrophobicContact CB-CB 4.23Å; P197-K200 WeakPolarHBondContact O-CB 3.46Å; P197-K200 PolarHBondContact O-N 2.67Å; P197-K200 VanDerWaalsContact O-N 3.07Å; T198-K200 PolarHBondContact O-N 3.05Å; K200-E203 VanDerWaalsContact CD-OE2 3.26Å; K200-E203 WeakPolarHBondContact CD-OE2 3.2Å; K200-E203 IonicContact NZ-OE2 2.69Å; K200-E203 PolarHBondContact NZ-OE2 3.24Å; K200-L204 WeakPolarHBondContact O-CB 3.29Å; K200-L204 PolarHBondContact O-N 3.28Å; K200-T231 HydrophobicContact CG-CG2 4.41Å
201V98.7Very high97.4Very high1 Ų140.5 Ų40.51%0.00621%0.209CC..Hα-helixtrans-67.3-42.5173.7-1750000110.8L15 I173 L178 T196 P197 T198 E199 L204 F205 L224L15-V201 HydrophobicContact CD1-CB 3.79Å; L15-V201 HydrophobicContact CD1-CG1 3.9Å; L15-V201 HydrophobicContact CD1-CG2 4.33Å; L15-V201 HydrophobicContact CD2-CG1 4Å; I173-V201 HydrophobicContact CD1-CG1 3.71Å; L178-V201 HydrophobicContact CD2-CG2 3.99Å; T196-V201 HydrophobicContact CG2-CG2 3.89Å; P197-V201 PolarHBondContact O-N 3.09Å; T198-V201 WeakPolarHBondContact O-CB 3.4Å; T198-V201 PolarHBondContact O-N 2.69Å; E199-V201 VanDerWaalsContact C-N 3.3Å; E199-V201 PolarHBondContact O-N 3.31Å; V201-L204 WeakPolarHBondContact O-CB 3.43Å; V201-L204 PolarHBondContact O-N 2.99Å; V201-F205 HydrophobicContact CG1-CD1 4.45Å; V201-F205 HydrophobicContact CG1-CE1 3.87Å; V201-F205 HydrophobicContact CG1-CE2 4.03Å; V201-F205 HydrophobicContact CG1-CZ 3.65Å; V201-F205 WeakPolarHBondContact O-CG 3.47Å; V201-F205 PolarHBondContact O-N 3.38Å; V201-L224 HydrophobicContact CG1-CD1 4.45Å; V201-L224 HydrophobicContact CG2-CD1 3.82Å
202A98.8Very high97.4Very high0 Ų038.3 Ų38.30%021%0.205CC..Hα-helixtrans-64.2-41.417700000112.4V18 C19 H22 T198 E199 F205 T206V18-A202 HydrophobicContact CG1-CB 4.45Å; C19-A202 HydrophobicContact CB-CB 4.49Å; H22-A202 HydrophobicContact CB-CB 3.67Å; T198-A202 PolarHBondContact O-N 2.68Å; T198-A202 VanDerWaalsContact O-N 3.07Å; E199-A202 PolarHBondContact O-N 3.29Å; A202-F205 PolarHBondContact O-N 3.18Å; A202-T206 PolarHBondContact O-N 3.04Å; A202-T206 VanDerWaalsContact O-N 3.08Å; A202-T206 PolarHBondContact O-OG1 3.2Å
203E98.4Very high97.4Very high81 Ų8144.3 Ų44.338%0.37924%0.238SC..Hα-helixtrans-58-46.8171.6-74.3171.1-168.300111.8E199 K200 F205 T206 T207E199-E203 WeakPolarHBondContact O-CG 3.39Å; E199-E203 PolarHBondContact O-N 2.87Å; K200-E203 VanDerWaalsContact CD-OE2 3.26Å; K200-E203 WeakPolarHBondContact CD-OE2 3.2Å; K200-E203 IonicContact NZ-OE2 2.69Å; K200-E203 PolarHBondContact NZ-OE2 3.24Å; E203-F205 VanDerWaalsContact C-N 3.3Å; E203-F205 PolarHBondContact O-N 3.12Å; E203-T206 WeakPolarHBondContact O-CB 3.48Å; E203-T206 PolarHBondContact O-N 3.47Å; E203-T206 VanDerWaalsContact O-N 3.15Å; E203-T207 PolarHBondContact O-N 2.86Å; E203-T207 PolarHBondContact O-OG1 2.82Å; E203-T207 VanDerWaalsContact O-OG1 3.13Å
204L98.5Very high97.5Very high24 Ų2445.9 Ų45.913%0.12624%0.243CC..Hα-helixtrans-58.9-42.8179.3-177.664.7000111.7I173 K200 V201 T207 W208 L224 C233I173-L204 HydrophobicContact CG2-CD2 4.36Å; K200-L204 WeakPolarHBondContact O-CB 3.29Å; K200-L204 PolarHBondContact O-N 3.28Å; V201-L204 WeakPolarHBondContact O-CB 3.43Å; V201-L204 PolarHBondContact O-N 2.99Å; L204-T207 PolarHBondContact O-N 2.85Å; L204-W208 HydrophobicContact CD1-CD2 4.2Å; L204-W208 HydrophobicContact CD1-CH2 4.32Å; L204-W208 HydrophobicContact CD1-CZ2 3.64Å; L204-W208 HydrophobicContact CD2-CH2 3.54Å; L204-W208 HydrophobicContact CD2-CZ2 3.69Å; L204-W208 HydrophobicContact CD2-CZ3 4.04Å; L204-W208 HydrophobicContact CG-CD2 4.04Å; L204-W208 HydrophobicContact CG-CE3 4.18Å; L204-W208 HydrophobicContact CG-CH2 3.85Å; L204-W208 HydrophobicContact CG-CZ2 3.68Å; L204-W208 HydrophobicContact CG-CZ3 4.08Å; L204-W208 PolarHBondContact O-N 3.38Å; L204-L224 HydrophobicContact CD2-CD2 3.72Å; L204-C233 VanDerWaalsContact CD2-SG 3.59Å
205F98.8Very high97.6Very high1 Ų145.7 Ų45.70%0.00424%0.235CC..Hα-helixtrans-61.5-43.4175.8-70.1-6.3000112.1F23 F77 V79 V126 I173 V201 A202 E203 W208 L209F23-F205 HydrophobicContact CE2-CB 4.37Å; F23-F205 HydrophobicContact CZ-CB 3.87Å; F77-F205 HydrophobicContact CB-CD2 4.27Å; F77-F205 HydrophobicContact CB-CE2 4.14Å; F77-F205 HydrophobicContact CD1-CB 3.9Å; F77-F205 HydrophobicContact CD1-CD1 4.02Å; F77-F205 AromaticContact CD1-CD2 3.38Å; F77-F205 HydrophobicContact CD1-CD2 3.38Å; F77-F205 HydrophobicContact CD1-CE1 4.37Å; F77-F205 AromaticContact CD1-CE2 3.79Å; F77-F205 HydrophobicContact CD1-CE2 3.79Å; F77-F205 AromaticContact CD1-CG 3.5Å; F77-F205 HydrophobicContact CD1-CG 3.5Å; F77-F205 HydrophobicContact CD1-CZ 4.26Å; F77-F205 HydrophobicContact CE1-CB 3.47Å; F77-F205 VanDerWaalsContact CE1-CB 3.47Å; F77-F205 HydrophobicContact CE1-CD1 4.09Å; F77-F205 AromaticContact CE1-CD2 3.91Å; F77-F205 HydrophobicContact CE1-CD2 3.91Å; F77-F205 AromaticContact CE1-CG 3.57Å; F77-F205 HydrophobicContact CE1-CG 3.57Å; F77-F205 AromaticContact CG-CD2 3.93Å; F77-F205 HydrophobicContact CG-CD2 3.93Å; F77-F205 HydrophobicContact CG-CE2 4.25Å; F77-F205 HydrophobicContact CG-CG 4.44Å; F77-F205 HydrophobicContact CZ-CB 4.02Å; V79-F205 HydrophobicContact CG1-CE2 3.81Å; V79-F205 HydrophobicContact CG1-CZ 4.13Å; V126-F205 HydrophobicContact CB-CE1 4.28Å; V126-F205 HydrophobicContact CG1-CD1 4.36Å; V126-F205 HydrophobicContact CG1-CE1 3.62Å; V126-F205 HydrophobicContact CG1-CZ 4Å; V126-F205 HydrophobicContact CG2-CD1 4.49Å; I173-F205 HydrophobicContact CD1-CE1 4.1Å; I173-F205 HydrophobicContact CD1-CZ 3.78Å; I173-F205 HydrophobicContact CG1-CE1 4.44Å; I173-F205 HydrophobicContact CG1-CZ 4.37Å; I173-F205 HydrophobicContact CG2-CE1 3.82Å; V201-F205 HydrophobicContact CG1-CD1 4.45Å; V201-F205 HydrophobicContact CG1-CE1 3.87Å; V201-F205 HydrophobicContact CG1-CE2 4.03Å; V201-F205 HydrophobicContact CG1-CZ 3.65Å; V201-F205 WeakPolarHBondContact O-CG 3.47Å; V201-F205 PolarHBondContact O-N 3.38Å; A202-F205 PolarHBondContact O-N 3.18Å; E203-F205 VanDerWaalsContact C-N 3.3Å; E203-F205 PolarHBondContact O-N 3.12Å; F205-W208 HydrophobicContact CD1-CE3 4.28Å; F205-W208 HydrophobicContact CD1-CZ3 4.32Å; F205-W208 HydrophobicContact CE1-CZ3 4.43Å; F205-W208 PolarHBondContact O-N 3Å; F205-L209 VanDerWaalsContact O-CB 3.25Å; F205-L209 WeakPolarHBondContact O-CB 3.26Å; F205-L209 PolarHBondContact O-N 3.05Å
206T98.5Very high97.6Very high6 Ų646.9 Ų46.94%0.03724%0.244CC..Hα-helixtrans-62.9-46.5175-590000111.3H22 F23 A202 E203 W208 L209 E210H22-T206 PolarHBondContact CD2-OG1 3.4Å; H22-T206 PolarHBondContact NE2-OG1 3.42Å; F23-T206 WeakPolarHBondContact CE1-OG1 3.14Å; A202-T206 PolarHBondContact O-N 3.04Å; A202-T206 VanDerWaalsContact O-N 3.08Å; A202-T206 PolarHBondContact O-OG1 3.2Å; E203-T206 WeakPolarHBondContact O-CB 3.48Å; E203-T206 PolarHBondContact O-N 3.47Å; E203-T206 VanDerWaalsContact O-N 3.15Å; T206-W208 VanDerWaalsContact C-N 3.34Å; T206-W208 PolarHBondContact O-N 3.25Å; T206-L209 PolarHBondContact O-N 3.06Å; T206-E210 HydrophobicContact CG2-CG 4.15Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.36Å; T206-E210 WeakPolarHBondContact O-CB 3.35Å; T206-E210 WeakPolarHBondContact O-CG 3.27Å; T206-E210 PolarHBondContact O-N 2.94Å
207T98.3Very high97.6Very high48 Ų4854.6 Ų54.629%0.29428%0.28SS..Hα-helixtrans-56-48.4176.8-59.30000111.2E203 L204 L209 E210 E211 N214E203-T207 PolarHBondContact O-N 2.86Å; E203-T207 PolarHBondContact O-OG1 2.82Å; E203-T207 VanDerWaalsContact O-OG1 3.13Å; L204-T207 PolarHBondContact O-N 2.85Å; T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 3.45Å; T207-E210 PolarHBondContact O-N 2.82Å; T207-E211 WeakPolarHBondContact O-CA 3.38Å; T207-E211 WeakPolarHBondContact O-CB 3.44Å; T207-E211 PolarHBondContact O-N 3.44Å; T207-N214 HydrophobicContact CG2-CB 4.01Å; T207-N214 WeakPolarHBondContact CG2-ND2 3.27Å
208W98.4Very high97.6Very high8 Ų854.8 Ų54.83%0.0328%0.282CS..Hα-helixtrans-66.1-32.2177.2-68.2-20.7000113L124 V126 L171 I173 L204 F205 T206 N214 R215 P216 I222L124-W208 HydrophobicContact CD2-CB 3.54Å; V126-W208 HydrophobicContact CG1-CZ3 4.38Å; V126-W208 HydrophobicContact CG2-CE3 4.27Å; L171-W208 HydrophobicContact CD1-CD2 3.94Å; L171-W208 HydrophobicContact CD1-CE3 3.79Å; L171-W208 HydrophobicContact CD1-CH2 4.33Å; L171-W208 HydrophobicContact CD1-CZ2 4.47Å; L171-W208 HydrophobicContact CD1-CZ3 3.99Å; I173-W208 HydrophobicContact CG2-CH2 3.91Å; I173-W208 HydrophobicContact CG2-CZ3 3.84Å; L204-W208 HydrophobicContact CD1-CD2 4.2Å; L204-W208 HydrophobicContact CD1-CH2 4.32Å; L204-W208 HydrophobicContact CD1-CZ2 3.64Å; L204-W208 HydrophobicContact CD2-CH2 3.54Å; L204-W208 HydrophobicContact CD2-CZ2 3.69Å; L204-W208 HydrophobicContact CD2-CZ3 4.04Å; L204-W208 HydrophobicContact CG-CD2 4.04Å; L204-W208 HydrophobicContact CG-CE3 4.18Å; L204-W208 HydrophobicContact CG-CH2 3.85Å; L204-W208 HydrophobicContact CG-CZ2 3.68Å; L204-W208 HydrophobicContact CG-CZ3 4.08Å; L204-W208 PolarHBondContact O-N 3.38Å; F205-W208 HydrophobicContact CD1-CE3 4.28Å; F205-W208 HydrophobicContact CD1-CZ3 4.32Å; F205-W208 HydrophobicContact CE1-CZ3 4.43Å; F205-W208 PolarHBondContact O-N 3Å; T206-W208 VanDerWaalsContact C-N 3.34Å; T206-W208 PolarHBondContact O-N 3.25Å; W208-N214 PolarHBondContact NE1-O 3.17Å; W208-R215 HydrophobicContact CB-CG 4.08Å; W208-R215 HydrophobicContact CG-CG 4.4Å; W208-R215 PolarHBondContact O-NE 3.15Å; W208-R215 PolarHBondContact O-NH2 3.19Å; W208-R215 VanDerWaalsContact O-NH2 3.12Å; W208-P216 HydrophobicContact CZ2-CG 4.08Å; W208-I222 HydrophobicContact CH2-CB 4.26Å; W208-I222 HydrophobicContact CH2-CG1 4.1Å; W208-I222 HydrophobicContact CH2-CG2 4.35Å; W208-I222 HydrophobicContact CZ2-CG1 4.31Å; W208-I222 HydrophobicContact CZ2-CG2 4.37Å
209L97.5Very high97.6Very high7 Ų754.9 Ų54.94%0.03729%0.285CS..Hα-helixtrans-75.8-32179.2-170.362.8000113K4 V6 F23 Y28 D74 F77 L124 F205 T206 T207K4-L209 PolarHBondContact NZ-O 3.32Å; K4-L209 VanDerWaalsContact NZ-O 3.14Å; V6-L209 HydrophobicContact CG1-CD2 3.44Å; V6-L209 VanDerWaalsContact CG1-CD2 3.44Å; F23-L209 HydrophobicContact CE1-CD2 3.8Å; F23-L209 HydrophobicContact CZ-CD2 4.36Å; Y28-L209 HydrophobicContact CD1-CD2 4.1Å; Y28-L209 HydrophobicContact CE1-CD2 3.34Å; Y28-L209 HydrophobicContact CE1-CG 4.23Å; D74-L209 HydrophobicContact CB-CD1 4.14Å; D74-L209 VanDerWaalsContact O-CD1 3.24Å; D74-L209 WeakPolarHBondContact O-CD1 3.41Å; F77-L209 HydrophobicContact CE2-CD2 4.3Å; F77-L209 HydrophobicContact CZ-CB 4.46Å; F77-L209 HydrophobicContact CZ-CD2 4.23Å; L124-L209 HydrophobicContact CB-CD1 4.25Å; F205-L209 VanDerWaalsContact O-CB 3.25Å; F205-L209 WeakPolarHBondContact O-CB 3.26Å; F205-L209 PolarHBondContact O-N 3.05Å; T206-L209 PolarHBondContact O-N 3.06Å; T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 3.45Å
210E96.2Very high97.7Very high93 Ų9351.4 Ų51.444%0.43527%0.272SS..Hα-helixtrans-91.4-37.3-177.8-68.2-177.8174.500112.9Y28 T206 T207Y28-E210 VanDerWaalsContact OH-CD 3.32Å; Y28-E210 WeakPolarHBondContact OH-CG 3.47Å; Y28-E210 PolarHBondContact OH-OE1 3.27Å; T206-E210 HydrophobicContact CG2-CG 4.15Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.36Å; T206-E210 WeakPolarHBondContact O-CB 3.35Å; T206-E210 WeakPolarHBondContact O-CG 3.27Å; T206-E210 PolarHBondContact O-N 2.94Å; T207-E210 PolarHBondContact O-N 2.82Å
211E95.7Very high97.7Very high101 Ų10147.4 Ų47.447%0.47226%0.255SS..  trans-119.986.2-173.5-61.7176.6-128.400109.5T207 N213 N214T207-E211 WeakPolarHBondContact O-CA 3.38Å; T207-E211 WeakPolarHBondContact O-CB 3.44Å; T207-E211 PolarHBondContact O-N 3.44Å; E211-N213 PolarHBondContact O-N 3.1Å; E211-N213 VanDerWaalsContact O-N 3.09Å; E211-N214 HydrophobicContact CB-CB 4.21Å; E211-N214 WeakPolarHBondContact O-CB 3.19Å; E211-N214 PolarHBondContact O-N 3.06Å; E211-N214 PolarHBondContact OE2-ND2 3.04Å
212A94.7Very high97.7Very high56 Ų5647.4 Ų47.446%0.46326%0.255SS..G310 helixtrans-56.9-29.1-177.500000113.4N214 R215A212-N214 PolarHBondContact O-N 3.08Å; A212-R215 VanDerWaalsContact O-CB 3.3Å; A212-R215 WeakPolarHBondContact O-CB 3.24Å; A212-R215 WeakPolarHBondContact O-CG 3.38Å; A212-R215 PolarHBondContact O-N 3.23Å; A212-R215 VanDerWaalsContact O-N 3.14Å
213N95.5Very high97.7Very high165 Ų16548.8 Ų48.888%0.88226%0.261SS*.G310 helixtrans-68.3-18.2176.2-66.3-16000113.7E211 R215E211-N213 PolarHBondContact O-N 3.1Å; E211-N213 VanDerWaalsContact O-N 3.09Å; N213-R215 VanDerWaalsContact C-N 3.35Å
214N96.6Very high97.7Very high76 Ų7645 Ų4541%0.40624%0.244SC..G310 helixtrans-90.3-1.1175-67.3-14.5000112.5T207 W208 E211 A212T207-N214 HydrophobicContact CG2-CB 4.01Å; T207-N214 WeakPolarHBondContact CG2-ND2 3.27Å; W208-N214 PolarHBondContact NE1-O 3.17Å; E211-N214 HydrophobicContact CB-CB 4.21Å; E211-N214 WeakPolarHBondContact O-CB 3.19Å; E211-N214 PolarHBondContact O-N 3.06Å; E211-N214 PolarHBondContact OE2-ND2 3.04Å; A212-N214 PolarHBondContact O-N 3.08Å
215R97.4Very high97.6Very high44 Ų4446.3 Ų46.317%0.16625%0.25CS..SBendtrans-72.3134.2173.3-63.7173.3-172.7174.72.7108.9S122 W208 A212 N213S122-R215 PolarHBondContact O-NH1 2.9Å; W208-R215 HydrophobicContact CB-CG 4.08Å; W208-R215 HydrophobicContact CG-CG 4.4Å; W208-R215 PolarHBondContact O-NE 3.15Å; W208-R215 PolarHBondContact O-NH2 3.19Å; W208-R215 VanDerWaalsContact O-NH2 3.12Å; A212-R215 VanDerWaalsContact O-CB 3.3Å; A212-R215 WeakPolarHBondContact O-CB 3.24Å; A212-R215 WeakPolarHBondContact O-CG 3.38Å; A212-R215 PolarHBondContact O-N 3.23Å; A212-R215 VanDerWaalsContact O-N 3.14Å; N213-R215 VanDerWaalsContact C-N 3.35Å
216P97.7Very high97.6Very high35 Ų3546.6 Ų46.623%0.22725%0.252CS..PPolyproline II helixtrans-56.5167.6158.8-22.533.2000111.6L171 W208 S218 I222L171-P216 HydrophobicContact CD1-CG 4.41Å; L171-P216 HydrophobicContact CD2-CB 4Å; L171-P216 HydrophobicContact CD2-CG 4.43Å; W208-P216 HydrophobicContact CZ2-CG 4.08Å; P216-S218 PolarHBondContact O-N 3Å; P216-I222 HydrophobicContact CB-CD1 3.63Å; P216-I222 HydrophobicContact CB-CG1 4.36Å; P216-I222 HydrophobicContact CG-CD1 3.45Å; P216-I222 VanDerWaalsContact CG-CD1 3.45Å; P216-I222 HydrophobicContact CG-CG1 3.83Å
217E97.9Very high97.4Very high163 Ų16352.6 Ų52.676%0.76228%0.28SS*.PPolyproline II helixtrans-56.8138.7173.5-171.8178-174.700110.6L171 G219 S220L171-E217 WeakPolarHBondContact CD2-O 3.41Å; E217-G219 PolarHBondContact O-N 2.94Å; E217-S220 WeakPolarHBondContact O-CB 3.41Å; E217-S220 PolarHBondContact O-N 3.19Å; E217-S220 PolarHBondContact O-OG 3.26Å
218S98.6Very high97.1Very high42 Ų4256.8 Ų56.829%0.29430%0.3SS..THydrogen-bonded Turntrans-55.6132.9176.9-165.80000110.2A158 V170 P216A158-S218 VanDerWaalsContact CB-C 3.41Å; A158-S218 WeakPolarHBondContact CB-O 3.48Å; V170-S218 PolarHBondContact N-OG 3.42Å; V170-S218 CarbonylContact O-C 3.53Å; V170-S218 WeakPolarHBondContact O-CA 3.45Å; P216-S218 PolarHBondContact O-N 3Å
219G98.7Very high96.7Very high10 Ų1058.6 Ų58.610%0.10332%0.322CS..THydrogen-bonded Turntrans95-7.4-174.600000113.8A158 V170 E217A158-G219 VanDerWaalsContact CB-CA 3.4Å; V170-G219 PolarHBondContact O-N 3.04Å; E217-G219 PolarHBondContact O-N 2.94Å
220S98.8Very high96.5Very high27 Ų2763.9 Ų63.919%0.18935%0.349CS..  trans-65.4140.7178.8-63.20000112.2A172 E217A172-S220 PolarHBondContact N-O 3.15Å; E217-S220 WeakPolarHBondContact O-CB 3.41Å; E217-S220 PolarHBondContact O-N 3.19Å; E217-S220 PolarHBondContact O-OG 3.26Å
221I98.8Very high96.6Very high7 Ų760.6 Ų60.64%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-103.3122.9168.5-57.9162.3000106.5H151 K155 A172 P235 V236H151-I221 HydrophobicContact CB-CD1 3.51Å; H151-I221 HydrophobicContact CB-CG1 4.4Å; K155-I221 HydrophobicContact CD-CD1 4.48Å; A172-I221 HydrophobicContact CB-CG1 4.49Å; A172-I221 CarbonylContact O-C 3.59Å; A172-I221 WeakPolarHBondContact O-CA 3.44Å; I221-P235 WeakPolarHBondContact O-CA 3.48Å; I221-V236 HydrophobicContact CB-CB 4.13Å; I221-V236 HydrophobicContact CB-CG2 3.93Å; I221-V236 HydrophobicContact CG2-CB 4.41Å; I221-V236 HydrophobicContact CG2-CG2 3.69Å; I221-V236 WeakPolarHBondContact O-CG2 3.15Å; I221-V236 PolarHBondContact O-N 3.14Å
222I98.7Very high96.6Very high1 Ų161.6 Ų61.61%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-114.2109.7-170.7-51-59.1000109.6A172 I173 S174 W208 P216 L224 C233 P235A172-I222 PolarHBondContact O-N 3.46Å; I173-I222 CarbonylContact C-O 3.56Å; S174-I222 WeakPolarHBondContact CB-O 3.34Å; S174-I222 PolarHBondContact N-O 3.34Å; W208-I222 HydrophobicContact CH2-CB 4.26Å; W208-I222 HydrophobicContact CH2-CG1 4.1Å; W208-I222 HydrophobicContact CH2-CG2 4.35Å; W208-I222 HydrophobicContact CZ2-CG1 4.31Å; W208-I222 HydrophobicContact CZ2-CG2 4.37Å; P216-I222 HydrophobicContact CB-CD1 3.63Å; P216-I222 HydrophobicContact CB-CG1 4.36Å; P216-I222 HydrophobicContact CG-CD1 3.45Å; P216-I222 VanDerWaalsContact CG-CD1 3.45Å; P216-I222 HydrophobicContact CG-CG1 3.83Å; I222-L224 HydrophobicContact CG2-CD2 4.35Å; I222-L224 PolarHBondContact O-N 3.47Å; I222-C233 HydrophobicContact CG2-CB 3.67Å; I222-P235 HydrophobicContact CD1-CB 4.18Å; I222-P235 HydrophobicContact CD1-CG 4.06Å
223Q98.6Very high96.7Very high29 Ų2961.8 Ų61.814%0.13634%0.337CS..EExtended strand (participates in β ladder)trans-67.1132.2173.5-54.8-177.57700109.8H131 L134 S174 I225 C233 V234 V236H131-Q223 PolarHBondContact CE1-OE1 3.43Å; H131-Q223 PolarHBondContact ND1-OE1 2.96Å; L134-Q223 VanDerWaalsContact CD1-CD 3.46Å; L134-Q223 HydrophobicContact CD1-CG 3.77Å; L134-Q223 VanDerWaalsContact CD1-OE1 3.3Å; S174-Q223 WeakPolarHBondContact O-CA 2.81Å; Q223-I225 HydrophobicContact CB-CD1 4.18Å; Q223-I225 HydrophobicContact CB-CG1 3.96Å; Q223-C233 WeakPolarHBondContact O-CA 3.36Å; Q223-V234 HydrophobicContact CB-CB 4.39Å; Q223-V234 WeakPolarHBondContact CB-O 3.49Å; Q223-V234 PolarHBondContact N-O 3.08Å; Q223-V234 PolarHBondContact O-N 3.23Å; Q223-V236 HydrophobicContact CG-CG2 3.55Å
224L98.3Very high96.8Very high3 Ų356.5 Ų56.52%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-101.399.3169.8-50.6-174.8000107I173 S174 P175 T196 V201 L204 I222 T231I173-L224 HydrophobicContact CB-CD1 4.06Å; I173-L224 HydrophobicContact CB-CG 4.31Å; I173-L224 HydrophobicContact CD1-CD1 4.25Å; I173-L224 HydrophobicContact CG2-CD1 4.16Å; I173-L224 HydrophobicContact CG2-CD2 4.33Å; I173-L224 HydrophobicContact CG2-CG 4.47Å; S174-L224 PolarHBondContact O-N 2.91Å; P175-L224 HydrophobicContact CB-CD1 4.39Å; T196-L224 HydrophobicContact CG2-CB 4.23Å; T196-L224 HydrophobicContact CG2-CD1 4.32Å; V201-L224 HydrophobicContact CG1-CD1 4.45Å; V201-L224 HydrophobicContact CG2-CD1 3.82Å; L204-L224 HydrophobicContact CD2-CD2 3.72Å; I222-L224 HydrophobicContact CG2-CD2 4.35Å; I222-L224 PolarHBondContact O-N 3.47Å; L224-T231 HydrophobicContact CB-CG2 4.23Å
225I96.8Very high96.7Very high50 Ų5056.7 Ų56.726%0.25632%0.316SS..EExtended strand (participates in β ladder)trans-104.1117.7-176-58177.9000107.4Q223 Q227 T231 E232 V234Q223-I225 HydrophobicContact CB-CD1 4.18Å; Q223-I225 HydrophobicContact CB-CG1 3.96Å; I225-Q227 HydrophobicContact CG2-CG 4.38Å; I225-T231 CarbonylContact O-C 3.33Å; I225-T231 WeakPolarHBondContact O-CA 3.22Å; I225-E232 PolarHBondContact N-O 3.08Å; I225-E232 PolarHBondContact O-N 2.99Å; I225-V234 HydrophobicContact CD1-CB 4.27Å; I225-V234 HydrophobicContact CD1-CG2 4.06Å
226T97.5Very high96.5Very high8 Ų859.9 Ų59.95%0.04934%0.34CS..EExtended strand (participates in β ladder)trans-110.7126178.9-52.50000110.7S194 W195 T196 I230 T231S194-T226 CarbonylContact C-O 3.49Å; S194-T226 WeakPolarHBondContact CA-O 3.23Å; W195-T226 WeakPolarHBondContact O-CG2 3.46Å; T196-T226 WeakPolarHBondContact CA-OG1 3.28Å; T196-T226 WeakPolarHBondContact CB-OG1 3.48Å; T196-T226 PolarHBondContact OG1-OG1 3.14Å; T226-I230 CarbonylContact C-O 3.41Å; T226-I230 VanDerWaalsContact CA-O 3.26Å; T226-I230 WeakPolarHBondContact CA-O 3.28Å; T226-T231 PolarHBondContact OG1-OG1 3.24Å
227Q95.2Very high96.4Very high132 Ų13261.2 Ų61.262%0.61735%0.346SS*.EExtended strand (participates in β ladder)trans-135.3131.3174.2-62.3-177.626.900108.8I225 G229 I230I225-Q227 HydrophobicContact CG2-CG 4.38Å; Q227-G229 PolarHBondContact O-N 2.98Å; Q227-G229 VanDerWaalsContact O-N 3.11Å; Q227-I230 PolarHBondContact N-O 3.23Å; Q227-I230 PolarHBondContact O-N 3.01Å
228N92.5Very high96.4Very high135 Ų13555.8 Ų55.872%0.72232%0.324SS*.THydrogen-bonded Turntrans50.836.5-179.5-56.8-38.6000113.4S193 I230S193-N228 PolarHBondContact O-N 3.41Å; N228-I230 VanDerWaalsContact C-N 3.28Å; N228-I230 PolarHBondContact O-N 2.8Å
229G89Confident96.2Very high47 Ų4756.6 Ų56.649%0.48533%0.326SS..THydrogen-bonded Turntrans80.4-4.6-179.200000115.7S193 Q227S193-G229 PolarHBondContact O-N 2.9Å; Q227-G229 PolarHBondContact O-N 2.98Å; Q227-G229 VanDerWaalsContact O-N 3.11Å
230I94.3Very high96.1Very high117 Ų11759.3 Ų59.360%0.634%0.339SS*.EExtended strand (participates in β ladder)trans-96.6125177.9-57.7175.3000108.5T226 Q227 N228T226-I230 CarbonylContact C-O 3.41Å; T226-I230 VanDerWaalsContact CA-O 3.26Å; T226-I230 WeakPolarHBondContact CA-O 3.28Å; Q227-I230 PolarHBondContact N-O 3.23Å; Q227-I230 PolarHBondContact O-N 3.01Å; N228-I230 VanDerWaalsContact C-N 3.28Å; N228-I230 PolarHBondContact O-N 2.8Å
231T96.7Very high95.9Very high24 Ų2461.3 Ų61.315%0.14735%0.348CS..EExtended strand (participates in β ladder)trans-103.7123.5178.4-56.10000110.5T196 K200 L224 I225 T226T196-T231 HydrophobicContact CG2-CG2 3.75Å; K200-T231 HydrophobicContact CG-CG2 4.41Å; L224-T231 HydrophobicContact CB-CG2 4.23Å; I225-T231 CarbonylContact O-C 3.33Å; I225-T231 WeakPolarHBondContact O-CA 3.22Å; T226-T231 PolarHBondContact OG1-OG1 3.24Å
232E96.1Very high95.7Very high123 Ų12364.9 Ų64.958%0.57537%0.369SS*.EExtended strand (participates in β ladder)trans-107.2145.2174.5-65.1-178.2175.600110.7I225 V234I225-E232 PolarHBondContact N-O 3.08Å; I225-E232 PolarHBondContact O-N 2.99Å; E232-V234 HydrophobicContact CB-CG2 4.45Å
233C97.3Very high95.5Very high60 Ų6069.5 Ų69.541%0.40540%0.395SS..EExtended strand (participates in β ladder)trans-101.7112.7176-67.50000109L204 I222 Q223L204-C233 VanDerWaalsContact CD2-SG 3.59Å; I222-C233 HydrophobicContact CG2-CB 3.67Å; Q223-C233 WeakPolarHBondContact O-CA 3.36Å
234V96.6Very high95.3Very high53 Ų5372.6 Ų72.632%0.32142%0.415SS..EExtended strand (participates in β ladder)trans-121.4115.3-175.8-174.90000109.7Q223 I225 E232Q223-V234 HydrophobicContact CB-CB 4.39Å; Q223-V234 WeakPolarHBondContact CB-O 3.49Å; Q223-V234 PolarHBondContact N-O 3.08Å; Q223-V234 PolarHBondContact O-N 3.23Å; I225-V234 HydrophobicContact CD1-CB 4.27Å; I225-V234 HydrophobicContact CD1-CG2 4.06Å; E232-V234 HydrophobicContact CB-CG2 4.45Å
235P95.4Very high95Very high80 Ų8078.4 Ų78.452%0.51945%0.448SS..EExtended strand (participates in β ladder)trans-57.2145.3172.5-2333.7000112I221 I222I221-P235 WeakPolarHBondContact O-CA 3.48Å; I222-P235 HydrophobicContact CD1-CB 4.18Å; I222-P235 HydrophobicContact CD1-CG 4.06Å
236V93Very high94.9Very high112 Ų11281 Ų8168%0.67947%0.465SS*.  trans-81.60173.3177.30000111L134 I221 Q223L134-V236 HydrophobicContact CD1-CG1 4.36Å; L134-V236 HydrophobicContact CD1-CG2 3.6Å; L134-V236 HydrophobicContact CD2-CB 4.39Å; L134-V236 HydrophobicContact CD2-CG1 3.7Å; L134-V236 HydrophobicContact CD2-CG2 3.79Å; L134-V236 HydrophobicContact CG-CG2 4.35Å; I221-V236 HydrophobicContact CB-CB 4.13Å; I221-V236 HydrophobicContact CB-CG2 3.93Å; I221-V236 HydrophobicContact CG2-CB 4.41Å; I221-V236 HydrophobicContact CG2-CG2 3.69Å; I221-V236 WeakPolarHBondContact O-CG2 3.15Å; I221-V236 PolarHBondContact O-N 3.14Å; Q223-V236 HydrophobicContact CG-CG2 3.55Å

Retrieved 236 of 236 residues in 84 ms (Link to these results)

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