A0A093HZW5_STRCA Loading...

F-box/LRR-repeat protein 20

AlphaFold DB , UniProt , Accession A0A093HZW5, Species STRCA (Struthio camelus australis), Gene n/a, Length 422 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
1M43.9Very low65.7Low246 Ų246102.4 Ų102.4100%1.21255%0.545SS*.  0116.20-91.5-178.6-155.900107.4S3M1-S3 PolarHBondContact O-N 2.79Å
2F47.3Very low67.6Low109 Ų109104.4 Ų104.448%0.47855%0.545SS..  trans-71.2124.7172.6-67.4-76.4000108.3R39F2-R39 HydrophobicContact CB-CG 4.39Å; F2-R39 HydrophobicContact CD2-CG 4.2Å; F2-R39 HydrophobicContact CG-CG 4.17Å
3S53.7Low69.6Low64 Ų64109.4 Ų109.445%0.44856%0.56SS.*  trans-69.2146.1169.163.80000109M1 N5M1-S3 PolarHBondContact O-N 2.79Å; S3-N5 PolarHBondContact O-N 3.38Å
4N52.1Low71.3Confident155 Ų155105.4 Ų105.483%0.82954%0.54SS*.  trans-76.854.1-177.3-129.414.2000111D6N4-D6 VanDerWaalsContact C-N 3.29Å; N4-D6 PolarHBondContact O-N 2.93Å
5N53.8Low72.8Confident85 Ų85102.8 Ų102.846%0.45553%0.533SS..G310 helixtrans-85.713.9-169.6-111.85.5000114.5S3 E7 A8 N11S3-N5 PolarHBondContact O-N 3.38Å; N5-E7 PolarHBondContact O-N 3.08Å; N5-A8 PolarHBondContact O-N 3.19Å; N5-N11 PolarHBondContact O-ND2 3.22Å
6D58Low73.9Confident81 Ų81102.6 Ų102.643%0.43353%0.527SS..G310 helixtrans-65.8-6.2175.1-75.7-13.5000112.5N4 A40N4-D6 VanDerWaalsContact C-N 3.29Å; N4-D6 PolarHBondContact O-N 2.93Å; D6-A40 VanDerWaalsContact OD1-CB 3.27Å; D6-A40 WeakPolarHBondContact OD1-CB 3.34Å
7E66.5Low75Confident138 Ų138104.5 Ų104.565%0.64553%0.532SS*.G310 helixtrans-77.3-13.9174-76.4-102106.400114.9N5 K12N5-E7 PolarHBondContact O-N 3.08Å; E7-K12 WeakPolarHBondContact O-CE 3.4Å; E7-K12 PolarHBondContact O-NZ 3.2Å; E7-K12 IonicContact OE1-NZ 2.79Å; E7-K12 PolarHBondContact OE1-NZ 3.41Å; E7-K12 IonicContact OE2-NZ 3.75Å
8A79.3Confident76Confident36 Ų36103.8 Ų103.830%0.29853%0.53SS..SBendtrans-59.7140.1-174.400000112.4N5 I10 N11 K12N5-A8 PolarHBondContact O-N 3.19Å; A8-I10 HydrophobicContact CB-CG2 4.19Å; A8-I10 PolarHBondContact O-N 3.05Å; A8-I10 VanDerWaalsContact O-N 3.08Å; A8-N11 PolarHBondContact O-N 3.33Å; A8-K12 PolarHBondContact O-N 3.43Å
9V89.4Confident76.9Confident109 Ų10998.8 Ų98.866%0.66150%0.504SS*.Hα-helixtrans-52.3-39.4-176178.50000112N11 K12 K13V9-N11 VanDerWaalsContact C-N 3.33Å; V9-N11 PolarHBondContact O-N 2.81Å; V9-K12 PolarHBondContact O-N 3.45Å; V9-K13 HydrophobicContact CG1-CG 3.84Å; V9-K13 WeakPolarHBondContact O-CB 3.34Å; V9-K13 WeakPolarHBondContact O-CG 3.42Å; V9-K13 PolarHBondContact O-N 2.9Å
10I90.9Very high77.6Confident67 Ų6795.2 Ų95.234%0.34449%0.486SS..Hα-helixtrans-60-41.2179.1-165.6171.7000112.4A8 K12 L14 L19 W41A8-I10 HydrophobicContact CB-CG2 4.19Å; A8-I10 PolarHBondContact O-N 3.05Å; A8-I10 VanDerWaalsContact O-N 3.08Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-L14 HydrophobicContact CD1-CD1 4.4Å; I10-L14 HydrophobicContact CG1-CD1 3.79Å; I10-L14 WeakPolarHBondContact O-CB 3.27Å; I10-L14 PolarHBondContact O-N 3.09Å; I10-L14 VanDerWaalsContact O-N 3.09Å; I10-L19 HydrophobicContact CD1-CD2 4.27Å; I10-L19 HydrophobicContact CG1-CD2 3.97Å; I10-W41 HydrophobicContact CD1-CZ2 4.3Å; I10-W41 HydrophobicContact CG2-CZ2 4.14Å
11N87.8Confident78.2Confident36 Ų3698.1 Ų98.119%0.19349%0.491CS..Hα-helixtrans-74.5-26179.9-62.8-26.5000112.1N5 A8 V9 W41N5-N11 PolarHBondContact O-ND2 3.22Å; A8-N11 PolarHBondContact O-N 3.33Å; V9-N11 VanDerWaalsContact C-N 3.33Å; V9-N11 PolarHBondContact O-N 2.81Å; N11-W41 PolarHBondContact OD1-NE1 3.23Å
12K88.2Confident80.5Confident127 Ų12790 Ų9055%0.55245%0.452SS*.Hα-helixtrans-84.1-31.9177.6-70.3-178.2173.7167.50113.1E7 A8 V9 I10E7-K12 WeakPolarHBondContact O-CE 3.4Å; E7-K12 PolarHBondContact O-NZ 3.2Å; E7-K12 IonicContact OE1-NZ 2.79Å; E7-K12 PolarHBondContact OE1-NZ 3.41Å; E7-K12 IonicContact OE2-NZ 3.75Å; A8-K12 PolarHBondContact O-N 3.43Å; V9-K12 PolarHBondContact O-N 3.45Å; I10-K12 VanDerWaalsContact C-N 3.34Å
13K93.6Very high82.6Confident169 Ų16985 Ų8574%0.73543%0.43SS*.Hα-helixtrans-98.3-27.8-172.2-69.4-67.7-174.7178.90113.9V9V9-K13 HydrophobicContact CG1-CG 3.84Å; V9-K13 WeakPolarHBondContact O-CB 3.34Å; V9-K13 WeakPolarHBondContact O-CG 3.42Å; V9-K13 PolarHBondContact O-N 2.9Å
14L93.1Very high84.2Confident54 Ų5484.4 Ų84.428%0.28343%0.426SS..SBendtrans-103.9129.7180-63.1179.6000110.8I10 L18 L19 I22I10-L14 HydrophobicContact CD1-CD1 4.4Å; I10-L14 HydrophobicContact CG1-CD1 3.79Å; I10-L14 WeakPolarHBondContact O-CB 3.27Å; I10-L14 PolarHBondContact O-N 3.09Å; I10-L14 VanDerWaalsContact O-N 3.09Å; L14-L18 HydrophobicContact CD2-CD1 4.07Å; L14-L19 HydrophobicContact CB-CD2 4.03Å; L14-L19 HydrophobicContact CB-CG 4.01Å; L14-L19 HydrophobicContact CD1-CD2 4.02Å; L14-I22 HydrophobicContact CD1-CD1 3.66Å
15P93.7Very high85.8Confident66 Ų6684.3 Ų84.343%0.42942%0.418SS..  trans-70.6161.9171.634.7-37.4000110.7E17 L18 L19P15-E17 WeakPolarHBondContact CB-OE2 3.41Å; P15-E17 PolarHBondContact O-N 2.79Å; P15-E17 VanDerWaalsContact O-N 3.15Å; P15-L18 HydrophobicContact CG-CB 4.28Å; P15-L18 HydrophobicContact CG-CD1 4.08Å; P15-L18 HydrophobicContact CG-CG 3.9Å; P15-L18 PolarHBondContact O-N 3.1Å; P15-L19 PolarHBondContact O-N 3.29Å; P15-L19 VanDerWaalsContact O-N 3.16Å
16K91.6Very high87.4Confident100 Ų10082.9 Ų82.944%0.43541%0.41SS..Hα-helixtrans-53.1-39.2-175.4170.7166.2-174.7-163.30112.6L18 L19 L20 L44K16-L18 VanDerWaalsContact C-N 3.34Å; K16-L18 PolarHBondContact O-N 3.31Å; K16-L19 PolarHBondContact O-N 2.95Å; K16-L20 HydrophobicContact CG-CD1 4.11Å; K16-L20 HydrophobicContact CG-CG 4.35Å; K16-L20 WeakPolarHBondContact O-CG 3.41Å; K16-L20 PolarHBondContact O-N 3.47Å; K16-L44 HydrophobicContact CB-CD2 4.47Å; K16-L44 HydrophobicContact CD-CD2 4Å; K16-L44 HydrophobicContact CG-CD2 3.61Å
17E92.1Very high88.6Confident134 Ų13483.3 Ų83.363%0.62641%0.412SS*.Hα-helixtrans-63.9-39.7-177.7-59.971.4-154.600111.4P15 R21P15-E17 WeakPolarHBondContact CB-OE2 3.41Å; P15-E17 PolarHBondContact O-N 2.79Å; P15-E17 VanDerWaalsContact O-N 3.15Å; E17-R21 WeakPolarHBondContact O-CB 3.39Å; E17-R21 PolarHBondContact O-N 3.15Å
18L93.7Very high89.2Confident92 Ų9278.3 Ų78.348%0.48239%0.391SS..Hα-helixtrans-73.4-36.2176.7-65.9-170.9000111.6L14 P15 K16 R21 I22L14-L18 HydrophobicContact CD2-CD1 4.07Å; P15-L18 HydrophobicContact CG-CB 4.28Å; P15-L18 HydrophobicContact CG-CD1 4.08Å; P15-L18 HydrophobicContact CG-CG 3.9Å; P15-L18 PolarHBondContact O-N 3.1Å; K16-L18 VanDerWaalsContact C-N 3.34Å; K16-L18 PolarHBondContact O-N 3.31Å; L18-R21 WeakPolarHBondContact O-CB 3.28Å; L18-R21 PolarHBondContact O-N 3.06Å; L18-I22 VanDerWaalsContact O-CG1 3.32Å; L18-I22 WeakPolarHBondContact O-CG1 3.34Å; L18-I22 PolarHBondContact O-N 3.07Å
19L93.1Very high89.4Confident9 Ų978.9 Ų78.95%0.04739%0.391CS..Hα-helixtrans-65.1-42.5174.3-68.1170.4000111.9I10 L14 P15 K16 R21 I22 F23 L44I10-L19 HydrophobicContact CD1-CD2 4.27Å; I10-L19 HydrophobicContact CG1-CD2 3.97Å; L14-L19 HydrophobicContact CB-CD2 4.03Å; L14-L19 HydrophobicContact CB-CG 4.01Å; L14-L19 HydrophobicContact CD1-CD2 4.02Å; P15-L19 PolarHBondContact O-N 3.29Å; P15-L19 VanDerWaalsContact O-N 3.16Å; K16-L19 PolarHBondContact O-N 2.95Å; L19-R21 VanDerWaalsContact C-N 3.3Å; L19-R21 PolarHBondContact O-N 3.16Å; L19-I22 WeakPolarHBondContact O-CB 3.45Å; L19-I22 PolarHBondContact O-N 3.07Å; L19-F23 WeakPolarHBondContact O-CB 3.48Å; L19-F23 WeakPolarHBondContact O-CD1 3.33Å; L19-F23 WeakPolarHBondContact O-CG 3.45Å; L19-F23 PolarHBondContact O-N 3.02Å; L19-L44 HydrophobicContact CB-CD1 3.97Å; L19-L44 HydrophobicContact CD1-CD1 3.72Å; L19-L44 HydrophobicContact CG-CD1 4.46Å
20L90.6Very high89.4Confident26 Ų2675.6 Ų75.614%0.13637%0.371CS..Hα-helixtrans-62.6-39.2172.2-73.2177.8000111.4K16 I22 F23 S24 L44 D47 N50K16-L20 HydrophobicContact CG-CD1 4.11Å; K16-L20 HydrophobicContact CG-CG 4.35Å; K16-L20 WeakPolarHBondContact O-CG 3.41Å; K16-L20 PolarHBondContact O-N 3.47Å; L20-I22 VanDerWaalsContact C-N 3.32Å; L20-I22 PolarHBondContact O-N 3.28Å; L20-F23 PolarHBondContact O-N 3.49Å; L20-S24 WeakPolarHBondContact O-CB 3.08Å; L20-S24 PolarHBondContact O-N 2.82Å; L20-L44 HydrophobicContact CD2-CB 4.4Å; L20-L44 HydrophobicContact CD2-CD2 4.02Å; L20-L44 WeakPolarHBondContact CD2-O 3.4Å; L20-L44 HydrophobicContact CG-CD2 4.08Å; L20-D47 HydrophobicContact CD2-CB 3.57Å; L20-N50 VanDerWaalsContact CD2-ND2 3.35Å; L20-N50 WeakPolarHBondContact CD2-ND2 3.43Å; L20-N50 PolarHBondContact O-OD1 3.15Å
21R89.6Confident89.2Confident158 Ų15872.5 Ų72.560%0.59636%0.355SS*.Hα-helixtrans-61.4-41.8174.5-172.457.2171.2177.8-1.1111.7E17 L18 L19 S24 F25E17-R21 WeakPolarHBondContact O-CB 3.39Å; E17-R21 PolarHBondContact O-N 3.15Å; L18-R21 WeakPolarHBondContact O-CB 3.28Å; L18-R21 PolarHBondContact O-N 3.06Å; L19-R21 VanDerWaalsContact C-N 3.3Å; L19-R21 PolarHBondContact O-N 3.16Å; R21-S24 PolarHBondContact O-N 3.4Å; R21-S24 PolarHBondContact O-OG 2.82Å; R21-F25 HydrophobicContact CG-CE2 4.29Å; R21-F25 WeakPolarHBondContact O-CD2 3.45Å; R21-F25 VanDerWaalsContact O-CE2 3.31Å; R21-F25 WeakPolarHBondContact O-CE2 3.17Å
22I92.8Very high89.1Confident75 Ų7573.4 Ų73.439%0.38536%0.364SS..Hα-helixtrans-61.8-48.1173.8-66.9164.4000110.3L14 L18 L19 L20 S24 F25L14-I22 HydrophobicContact CD1-CD1 3.66Å; L18-I22 VanDerWaalsContact O-CG1 3.32Å; L18-I22 WeakPolarHBondContact O-CG1 3.34Å; L18-I22 PolarHBondContact O-N 3.07Å; L19-I22 WeakPolarHBondContact O-CB 3.45Å; L19-I22 PolarHBondContact O-N 3.07Å; L20-I22 VanDerWaalsContact C-N 3.32Å; L20-I22 PolarHBondContact O-N 3.28Å; I22-S24 PolarHBondContact O-N 2.76Å; I22-F25 PolarHBondContact O-N 3.41Å; I22-F25 VanDerWaalsContact O-N 3.1Å
23F91.9Very high89.3Confident3 Ų375.1 Ų75.11%0.01337%0.367CS..Hα-helixtrans-64.2-28.8-178-77.316.3000112.7L19 L20 F25 L26 L31 C34 W41 L44 A45L19-F23 WeakPolarHBondContact O-CB 3.48Å; L19-F23 WeakPolarHBondContact O-CD1 3.33Å; L19-F23 WeakPolarHBondContact O-CG 3.45Å; L19-F23 PolarHBondContact O-N 3.02Å; L20-F23 PolarHBondContact O-N 3.49Å; F23-F25 PolarHBondContact O-N 3.16Å; F23-F25 VanDerWaalsContact O-N 3.1Å; F23-L26 HydrophobicContact CB-CD1 4.47Å; F23-L26 HydrophobicContact CD1-CD1 3.78Å; F23-L26 HydrophobicContact CE1-CD1 4.32Å; F23-L26 HydrophobicContact CG-CD1 4.23Å; F23-L26 WeakPolarHBondContact O-CB 3.29Å; F23-L26 PolarHBondContact O-N 3.24Å; F23-L31 HydrophobicContact CB-CD2 3.9Å; F23-L31 HydrophobicContact CD2-CD2 4.23Å; F23-L31 HydrophobicContact CG-CD2 4.23Å; F23-C34 HydrophobicContact CE2-CB 4.33Å; F23-C34 HydrophobicContact CZ-CB 4.21Å; F23-W41 HydrophobicContact CE1-CD2 4.5Å; F23-W41 HydrophobicContact CE1-CE3 4.24Å; F23-W41 HydrophobicContact CE1-CH2 4.29Å; F23-W41 HydrophobicContact CE1-CZ3 4.13Å; F23-W41 AromaticContact CZ-CD2 3.73Å; F23-W41 HydrophobicContact CZ-CD2 3.73Å; F23-W41 AromaticContact CZ-CE3 3.63Å; F23-W41 HydrophobicContact CZ-CE3 3.63Å; F23-W41 HydrophobicContact CZ-CG 4.2Å; F23-W41 HydrophobicContact CZ-CH2 4.42Å; F23-W41 HydrophobicContact CZ-CZ3 4Å; F23-L44 HydrophobicContact CD2-CB 3.87Å; F23-L44 HydrophobicContact CE2-CB 3.53Å; F23-L44 HydrophobicContact CZ-CB 4.43Å; F23-A45 HydrophobicContact CD2-CB 4.09Å; F23-A45 HydrophobicContact CE2-CB 3.84Å
24S86.1Confident89.2Confident52 Ų5267.7 Ų67.736%0.36434%0.336SS..THydrogen-bonded Turntrans-64.2-12.2175.677.70000114.7L20 R21 I22 N50L20-S24 WeakPolarHBondContact O-CB 3.08Å; L20-S24 PolarHBondContact O-N 2.82Å; R21-S24 PolarHBondContact O-N 3.4Å; R21-S24 PolarHBondContact O-OG 2.82Å; I22-S24 PolarHBondContact O-N 2.76Å; S24-N50 PolarHBondContact N-OD1 2.84Å
25F87.1Confident89Confident154 Ų15465.5 Ų65.568%0.67533%0.326SS*.THydrogen-bonded Turntrans-96.7-4.7173.1-64.7-77.5000113.6R21 I22 F23R21-F25 HydrophobicContact CG-CE2 4.29Å; R21-F25 WeakPolarHBondContact O-CD2 3.45Å; R21-F25 VanDerWaalsContact O-CE2 3.31Å; R21-F25 WeakPolarHBondContact O-CE2 3.17Å; I22-F25 PolarHBondContact O-N 3.41Å; I22-F25 VanDerWaalsContact O-N 3.1Å; F23-F25 PolarHBondContact O-N 3.16Å; F23-F25 VanDerWaalsContact O-N 3.1Å
26L86.4Confident88.8Confident55 Ų5569.1 Ų69.129%0.28834%0.337SS..SBendtrans-88.5144.7-178.6-57.3179.2000110.8F23 T30 L31F23-L26 HydrophobicContact CB-CD1 4.47Å; F23-L26 HydrophobicContact CD1-CD1 3.78Å; F23-L26 HydrophobicContact CE1-CD1 4.32Å; F23-L26 HydrophobicContact CG-CD1 4.23Å; F23-L26 WeakPolarHBondContact O-CB 3.29Å; F23-L26 PolarHBondContact O-N 3.24Å; L26-T30 HydrophobicContact CB-CG2 4.2Å; L26-T30 HydrophobicContact CD1-CG2 4.19Å; L26-T30 HydrophobicContact CD2-CG2 4.01Å; L26-T30 HydrophobicContact CG-CG2 4.36Å; L26-L31 HydrophobicContact CB-CD2 4.16Å; L26-L31 HydrophobicContact CB-CG 3.96Å; L26-L31 HydrophobicContact CD1-CD2 4.34Å
27D82.4Confident88.8Confident89 Ų8967.2 Ų67.248%0.47633%0.333SS..  trans-71.7167.3172.269.573.4000112V29 T30 L31D27-V29 VanDerWaalsContact C-N 3.31Å; D27-V29 PolarHBondContact O-N 3.22Å; D27-V29 WeakPolarHBondContact OD1-CA 3.32Å; D27-V29 VanDerWaalsContact OD1-CB 3.27Å; D27-V29 WeakPolarHBondContact OD1-CB 3.44Å; D27-V29 PolarHBondContact OD1-N 3.26Å; D27-T30 VanDerWaalsContact CG-OG1 3.3Å; D27-T30 PolarHBondContact O-N 3.12Å; D27-T30 PolarHBondContact OD1-N 3.47Å; D27-T30 PolarHBondContact OD1-OG1 3.11Å; D27-T30 WeakPolarHBondContact OD2-CB 3.42Å; D27-T30 PolarHBondContact OD2-OG1 2.96Å; D27-L31 WeakPolarHBondContact O-CB 3.42Å; D27-L31 WeakPolarHBondContact O-CG 3.46Å; D27-L31 PolarHBondContact O-N 2.95Å
28V80.2Confident88.7Confident33 Ų3360.9 Ų60.920%0.230%0.304CS..Hα-helixtrans-57.7-40.6-177.8166.50000112.7C32 W51 I54V28-C32 WeakPolarHBondContact O-CB 3.49Å; V28-C32 PolarHBondContact O-N 2.92Å; V28-C32 PolarHBondContact O-SG 3.46Å; V28-W51 HydrophobicContact CB-CZ3 4.15Å; V28-W51 HydrophobicContact CG1-CH2 4.16Å; V28-W51 HydrophobicContact CG1-CZ3 3.69Å; V28-W51 HydrophobicContact CG2-CE3 4.4Å; V28-W51 HydrophobicContact CG2-CZ3 3.92Å; V28-I54 HydrophobicContact CG2-CG1 4.35Å; V28-I54 HydrophobicContact CG2-CG2 4.2Å
29V82.4Confident88.4Confident49 Ų4965.1 Ų65.130%0.29731%0.314SS..Hα-helixtrans-68.4-45179.9-179.30000109.8D27 C32 R33 F59D27-V29 VanDerWaalsContact C-N 3.31Å; D27-V29 PolarHBondContact O-N 3.22Å; D27-V29 WeakPolarHBondContact OD1-CA 3.32Å; D27-V29 VanDerWaalsContact OD1-CB 3.27Å; D27-V29 WeakPolarHBondContact OD1-CB 3.44Å; D27-V29 PolarHBondContact OD1-N 3.26Å; V29-C32 WeakPolarHBondContact O-CB 3.49Å; V29-C32 PolarHBondContact O-N 3.25Å; V29-R33 WeakPolarHBondContact O-CG 3.5Å; V29-R33 PolarHBondContact O-N 2.97Å; V29-F59 HydrophobicContact CG2-CE1 4.24Å; V29-F59 HydrophobicContact CG2-CE2 3.95Å; V29-F59 HydrophobicContact CG2-CZ 3.35Å
30T89.2Confident88.3Confident39 Ų3966.4 Ų66.424%0.23933%0.325CS..Hα-helixtrans-65.3-40.8179.4-59.40000110.9L26 D27 C32 R33 C34L26-T30 HydrophobicContact CB-CG2 4.2Å; L26-T30 HydrophobicContact CD1-CG2 4.19Å; L26-T30 HydrophobicContact CD2-CG2 4.01Å; L26-T30 HydrophobicContact CG-CG2 4.36Å; D27-T30 VanDerWaalsContact CG-OG1 3.3Å; D27-T30 PolarHBondContact O-N 3.12Å; D27-T30 PolarHBondContact OD1-N 3.47Å; D27-T30 PolarHBondContact OD1-OG1 3.11Å; D27-T30 WeakPolarHBondContact OD2-CB 3.42Å; D27-T30 PolarHBondContact OD2-OG1 2.96Å; T30-C32 PolarHBondContact O-N 2.89Å; T30-R33 WeakPolarHBondContact O-CB 3.41Å; T30-R33 PolarHBondContact O-N 3.35Å; T30-R33 VanDerWaalsContact O-N 3.12Å; T30-C34 PolarHBondContact O-N 3.1Å; T30-C34 PolarHBondContact O-SG 3.23Å
31L88.6Confident88.3Confident2 Ų267.2 Ų67.21%0.0133%0.327CS..Hα-helixtrans-59.9-43.9171.4-77.2169.4000112.1F23 L26 D27 R33 C34 A35 A45 N50 W51F23-L31 HydrophobicContact CB-CD2 3.9Å; F23-L31 HydrophobicContact CD2-CD2 4.23Å; F23-L31 HydrophobicContact CG-CD2 4.23Å; L26-L31 HydrophobicContact CB-CD2 4.16Å; L26-L31 HydrophobicContact CB-CG 3.96Å; L26-L31 HydrophobicContact CD1-CD2 4.34Å; D27-L31 WeakPolarHBondContact O-CB 3.42Å; D27-L31 WeakPolarHBondContact O-CG 3.46Å; D27-L31 PolarHBondContact O-N 2.95Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.27Å; L31-C34 WeakPolarHBondContact O-CB 3.35Å; L31-C34 PolarHBondContact O-N 3.27Å; L31-A35 PolarHBondContact O-N 2.89Å; L31-A45 HydrophobicContact CD2-CB 4.42Å; L31-A45 WeakPolarHBondContact O-CB 3.47Å; L31-N50 HydrophobicContact CD1-CB 4.12Å; L31-N50 HydrophobicContact CD2-CB 4.23Å; L31-W51 HydrophobicContact CB-CH2 3.98Å; L31-W51 HydrophobicContact CB-CZ2 3.78Å; L31-W51 HydrophobicContact CD1-CH2 4.42Å; L31-W51 HydrophobicContact CD1-CZ2 4.15Å
32C85.4Confident88.3Confident56 Ų5662.2 Ų62.238%0.37831%0.312SS..Hα-helixtrans-61.4-33.9174.7-76.30000112.7V28 V29 T30 Q36V28-C32 WeakPolarHBondContact O-CB 3.49Å; V28-C32 PolarHBondContact O-N 2.92Å; V28-C32 PolarHBondContact O-SG 3.46Å; V29-C32 WeakPolarHBondContact O-CB 3.49Å; V29-C32 PolarHBondContact O-N 3.25Å; T30-C32 PolarHBondContact O-N 2.89Å; C32-Q36 WeakPolarHBondContact O-CG 3.49Å; C32-Q36 PolarHBondContact O-NE2 2.88Å
33R90.8Very high88.1Confident163 Ų16362.9 Ų62.962%0.61532%0.319SS*.Hα-helixtrans-71.7-44.4173-68.7172-179.3163.80.6111.4V29 T30 L31 A35 Q36V29-R33 WeakPolarHBondContact O-CG 3.5Å; V29-R33 PolarHBondContact O-N 2.97Å; T30-R33 WeakPolarHBondContact O-CB 3.41Å; T30-R33 PolarHBondContact O-N 3.35Å; T30-R33 VanDerWaalsContact O-N 3.12Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.27Å; R33-A35 PolarHBondContact O-N 2.89Å; R33-Q36 WeakPolarHBondContact O-CB 3.46Å; R33-Q36 PolarHBondContact O-N 3.23Å
34C92.1Very high88Confident13 Ų1363.3 Ų63.39%0.08832%0.322CS..Hα-helixtrans-55.6-38.9173.9-70.90000111.3F23 T30 L31 Q36 V37 W41 A45F23-C34 HydrophobicContact CE2-CB 4.33Å; F23-C34 HydrophobicContact CZ-CB 4.21Å; T30-C34 PolarHBondContact O-N 3.1Å; T30-C34 PolarHBondContact O-SG 3.23Å; L31-C34 WeakPolarHBondContact O-CB 3.35Å; L31-C34 PolarHBondContact O-N 3.27Å; C34-Q36 PolarHBondContact O-N 3.48Å; C34-V37 WeakPolarHBondContact O-CB 3.41Å; C34-V37 PolarHBondContact O-N 3.15Å; C34-W41 HydrophobicContact CB-CE3 3.91Å; C34-W41 HydrophobicContact CB-CZ3 4.28Å; C34-W41 WeakPolarHBondContact O-CB 3.4Å; C34-A45 HydrophobicContact CB-CB 3.92Å
35A89.2Confident88.2Confident8 Ų860.9 Ų60.97%0.06630%0.304CS..THydrogen-bonded Turntrans-62.7-16.2177.900000113.9L31 R33 N42 A45 L46L31-A35 PolarHBondContact O-N 2.89Å; R33-A35 PolarHBondContact O-N 2.89Å; A35-N42 WeakPolarHBondContact O-CB 3.34Å; A35-N42 PolarHBondContact O-ND2 3.44Å; A35-A45 HydrophobicContact CB-CB 3.84Å; A35-L46 HydrophobicContact CB-CD1 4.4Å; A35-L46 HydrophobicContact CB-CD2 3.98Å; A35-L46 HydrophobicContact CB-CG 3.97Å
36Q89.7Confident88.1Confident142 Ų14255 Ų5566%0.66428%0.28SS*.THydrogen-bonded Turntrans-96.2-6.4179.2-62.2169.657.100113C32 R33 C34C32-Q36 WeakPolarHBondContact O-CG 3.49Å; C32-Q36 PolarHBondContact O-NE2 2.88Å; R33-Q36 WeakPolarHBondContact O-CB 3.46Å; R33-Q36 PolarHBondContact O-N 3.23Å; C34-Q36 PolarHBondContact O-N 3.48Å
37V92Very high88.1Confident59 Ų5954.4 Ų54.436%0.35828%0.277SS..THydrogen-bonded Turntrans-73.3-52.3-174174.70000112.4C34 W41C34-V37 WeakPolarHBondContact O-CB 3.41Å; C34-V37 PolarHBondContact O-N 3.15Å; V37-W41 HydrophobicContact CB-CB 4.16Å; V37-W41 HydrophobicContact CB-CD2 4.16Å; V37-W41 HydrophobicContact CB-CE3 3.84Å; V37-W41 HydrophobicContact CB-CG 4.31Å; V37-W41 HydrophobicContact CG1-CD2 4.04Å; V37-W41 HydrophobicContact CG1-CE3 3.99Å; V37-W41 HydrophobicContact CG1-CG 4.31Å; V37-W41 HydrophobicContact CG2-CE3 3.84Å; V37-W41 HydrophobicContact CG2-CZ3 4.27Å
38S89.9Confident88Confident1 Ų150.7 Ų50.71%0.00726%0.26CS..  trans-153.1172.6179.486.50000111.1A40 W41 N42S38-A40 PolarHBondContact OG-N 2.97Å; S38-W41 PolarHBondContact O-N 3.11Å; S38-W41 PolarHBondContact OG-N 3.1Å; S38-W41 VanDerWaalsContact OG-N 3.1Å; S38-N42 VanDerWaalsContact O-CB 3.28Å; S38-N42 WeakPolarHBondContact O-CB 3.45Å; S38-N42 PolarHBondContact O-N 2.68Å
39R87.6Confident88.1Confident182 Ų18250.9 Ų50.969%0.68726%0.263SS*.Hα-helixtrans-63.6-43.3173.5-71.2-177.2-178.7172.11111.9F2 N42 V43F2-R39 HydrophobicContact CB-CG 4.39Å; F2-R39 HydrophobicContact CD2-CG 4.2Å; F2-R39 HydrophobicContact CG-CG 4.17Å; R39-N42 WeakPolarHBondContact O-CB 3.22Å; R39-N42 PolarHBondContact O-N 2.78Å; R39-V43 PolarHBondContact O-N 2.97Å; R39-V43 VanDerWaalsContact O-N 3.15Å
40A89.8Confident88.3Confident35 Ų3549.2 Ų49.229%0.28925%0.252SS..Hα-helixtrans-61.8-47176.200000111.3D6 S38 N42 V43 L44D6-A40 VanDerWaalsContact OD1-CB 3.27Å; D6-A40 WeakPolarHBondContact OD1-CB 3.34Å; S38-A40 PolarHBondContact OG-N 2.97Å; A40-N42 VanDerWaalsContact C-N 3.3Å; A40-N42 PolarHBondContact O-N 3.26Å; A40-V43 PolarHBondContact O-N 2.78Å; A40-L44 WeakPolarHBondContact O-CG 3.42Å; A40-L44 PolarHBondContact O-N 2.83Å
41W92.1Very high88.1Confident44 Ų4448.2 Ų48.217%0.16724%0.244CC..Hα-helixtrans-66.4-31.5177.6-80.743.5000112.6I10 N11 F23 C34 V37 S38 L44 A45I10-W41 HydrophobicContact CD1-CZ2 4.3Å; I10-W41 HydrophobicContact CG2-CZ2 4.14Å; N11-W41 PolarHBondContact OD1-NE1 3.23Å; F23-W41 HydrophobicContact CE1-CD2 4.5Å; F23-W41 HydrophobicContact CE1-CE3 4.24Å; F23-W41 HydrophobicContact CE1-CH2 4.29Å; F23-W41 HydrophobicContact CE1-CZ3 4.13Å; F23-W41 AromaticContact CZ-CD2 3.73Å; F23-W41 HydrophobicContact CZ-CD2 3.73Å; F23-W41 AromaticContact CZ-CE3 3.63Å; F23-W41 HydrophobicContact CZ-CE3 3.63Å; F23-W41 HydrophobicContact CZ-CG 4.2Å; F23-W41 HydrophobicContact CZ-CH2 4.42Å; F23-W41 HydrophobicContact CZ-CZ3 4Å; C34-W41 HydrophobicContact CB-CE3 3.91Å; C34-W41 HydrophobicContact CB-CZ3 4.28Å; C34-W41 WeakPolarHBondContact O-CB 3.4Å; V37-W41 HydrophobicContact CB-CB 4.16Å; V37-W41 HydrophobicContact CB-CD2 4.16Å; V37-W41 HydrophobicContact CB-CE3 3.84Å; V37-W41 HydrophobicContact CB-CG 4.31Å; V37-W41 HydrophobicContact CG1-CD2 4.04Å; V37-W41 HydrophobicContact CG1-CE3 3.99Å; V37-W41 HydrophobicContact CG1-CG 4.31Å; V37-W41 HydrophobicContact CG2-CE3 3.84Å; V37-W41 HydrophobicContact CG2-CZ3 4.27Å; S38-W41 PolarHBondContact O-N 3.11Å; S38-W41 PolarHBondContact OG-N 3.1Å; S38-W41 VanDerWaalsContact OG-N 3.1Å; W41-L44 PolarHBondContact O-N 3.33Å; W41-A45 WeakPolarHBondContact O-CB 3.27Å; W41-A45 PolarHBondContact O-N 2.83Å
42N89.4Confident88Confident52 Ų5251.9 Ų51.928%0.27826%0.261SS..Hα-helixtrans-59.6-48.5171.8-172.9-92.1000111.8A35 S38 R39 A40 L44 L46A35-N42 WeakPolarHBondContact O-CB 3.34Å; A35-N42 PolarHBondContact O-ND2 3.44Å; S38-N42 VanDerWaalsContact O-CB 3.28Å; S38-N42 WeakPolarHBondContact O-CB 3.45Å; S38-N42 PolarHBondContact O-N 2.68Å; R39-N42 WeakPolarHBondContact O-CB 3.22Å; R39-N42 PolarHBondContact O-N 2.78Å; A40-N42 VanDerWaalsContact C-N 3.3Å; A40-N42 PolarHBondContact O-N 3.26Å; N42-L44 PolarHBondContact O-N 3.01Å; N42-L46 VanDerWaalsContact O-CB 3.29Å; N42-L46 WeakPolarHBondContact O-CB 3.49Å; N42-L46 WeakPolarHBondContact O-CG 3.31Å; N42-L46 PolarHBondContact O-N 2.83Å; N42-L46 VanDerWaalsContact O-N 3.11Å
43V87.9Confident88.1Confident90 Ų9057.6 Ų57.655%0.54528%0.275SS..Hα-helixtrans-63.6-43.4178177.80000111R39 A40 D47R39-V43 PolarHBondContact O-N 2.97Å; R39-V43 VanDerWaalsContact O-N 3.15Å; A40-V43 PolarHBondContact O-N 2.78Å; V43-D47 PolarHBondContact O-N 3.22Å; V43-D47 VanDerWaalsContact O-N 3.16Å
44L90.1Very high87.8Confident12 Ų1250.1 Ų50.16%0.06325%0.247CC..Hα-helixtrans-67.5-50.6-179.9-66.5171.4000112.2K16 L19 L20 F23 A40 W41 N42 L46 D47 N50K16-L44 HydrophobicContact CB-CD2 4.47Å; K16-L44 HydrophobicContact CD-CD2 4Å; K16-L44 HydrophobicContact CG-CD2 3.61Å; L19-L44 HydrophobicContact CB-CD1 3.97Å; L19-L44 HydrophobicContact CD1-CD1 3.72Å; L19-L44 HydrophobicContact CG-CD1 4.46Å; L20-L44 HydrophobicContact CD2-CB 4.4Å; L20-L44 HydrophobicContact CD2-CD2 4.02Å; L20-L44 WeakPolarHBondContact CD2-O 3.4Å; L20-L44 HydrophobicContact CG-CD2 4.08Å; F23-L44 HydrophobicContact CD2-CB 3.87Å; F23-L44 HydrophobicContact CE2-CB 3.53Å; F23-L44 HydrophobicContact CZ-CB 4.43Å; A40-L44 WeakPolarHBondContact O-CG 3.42Å; A40-L44 PolarHBondContact O-N 2.83Å; W41-L44 PolarHBondContact O-N 3.33Å; N42-L44 PolarHBondContact O-N 3.01Å; L44-L46 PolarHBondContact O-N 3.22Å; L44-D47 VanDerWaalsContact O-CB 3.22Å; L44-D47 WeakPolarHBondContact O-CB 3.06Å; L44-D47 PolarHBondContact O-N 2.88Å; L44-D47 VanDerWaalsContact O-N 3.11Å; L44-N50 PolarHBondContact O-ND2 2.59Å
45A89.4Confident87.4Confident0 Ų054.1 Ų54.10%027%0.267CS..Hα-helixtrans-61.5-33-177.900000111.3F23 L31 C34 A35 W41 W51F23-A45 HydrophobicContact CD2-CB 4.09Å; F23-A45 HydrophobicContact CE2-CB 3.84Å; L31-A45 HydrophobicContact CD2-CB 4.42Å; L31-A45 WeakPolarHBondContact O-CB 3.47Å; C34-A45 HydrophobicContact CB-CB 3.92Å; A35-A45 HydrophobicContact CB-CB 3.84Å; W41-A45 WeakPolarHBondContact O-CB 3.27Å; W41-A45 PolarHBondContact O-N 2.83Å; A45-W51 PolarHBondContact O-NE1 3.3Å
46L84.9Confident87.1Confident32 Ų3254 Ų5417%0.16827%0.265CS..THydrogen-bonded Turntrans-97.511.7-179.2-52.1174.9000114A35 N42 L44 W51 R74A35-L46 HydrophobicContact CB-CD1 4.4Å; A35-L46 HydrophobicContact CB-CD2 3.98Å; A35-L46 HydrophobicContact CB-CG 3.97Å; N42-L46 VanDerWaalsContact O-CB 3.29Å; N42-L46 WeakPolarHBondContact O-CB 3.49Å; N42-L46 WeakPolarHBondContact O-CG 3.31Å; N42-L46 PolarHBondContact O-N 2.83Å; N42-L46 VanDerWaalsContact O-N 3.11Å; L44-L46 PolarHBondContact O-N 3.22Å; L46-W51 HydrophobicContact CD2-CZ2 4.2Å; L46-R74 VanDerWaalsContact CB-CZ 3.48Å; L46-R74 PolarHBondContact O-NH2 3.28Å
47D86.4Confident86.7Confident41 Ų4151.1 Ų51.122%0.21925%0.251CS..  trans-67.4129.4171.3-173.5-74.8000109.9L20 V43 L44 S49 N50L20-D47 HydrophobicContact CD2-CB 3.57Å; V43-D47 PolarHBondContact O-N 3.22Å; V43-D47 VanDerWaalsContact O-N 3.16Å; L44-D47 VanDerWaalsContact O-CB 3.22Å; L44-D47 WeakPolarHBondContact O-CB 3.06Å; L44-D47 PolarHBondContact O-N 2.88Å; L44-D47 VanDerWaalsContact O-N 3.11Å; D47-S49 PolarHBondContact O-N 3.37Å; D47-S49 VanDerWaalsContact OD1-CB 3.28Å; D47-S49 WeakPolarHBondContact OD1-CB 3.48Å; D47-S49 PolarHBondContact OD1-N 3.3Å; D47-S49 PolarHBondContact OD1-OG 2.67Å; D47-N50 WeakPolarHBondContact O-CB 3.34Å; D47-N50 PolarHBondContact O-N 3.43Å
48G79.9Confident86.1Confident11 Ų1155 Ų5511%0.11327%0.269CS..G310 helixtrans-56.6-24.8-173.500000114.6N50 W51 F78G48-N50 PolarHBondContact O-N 3.28Å; G48-W51 PolarHBondContact O-N 3.05Å; G48-F78 WeakPolarHBondContact O-CB 3.28Å
49S83.3Confident85.5Confident38 Ų3858.2 Ų58.227%0.26628%0.284SS..G310 helixtrans-63.7-25.9176.364.50000113.7D47 W51 Q52D47-S49 PolarHBondContact O-N 3.37Å; D47-S49 VanDerWaalsContact OD1-CB 3.28Å; D47-S49 WeakPolarHBondContact OD1-CB 3.48Å; D47-S49 PolarHBondContact OD1-N 3.3Å; D47-S49 PolarHBondContact OD1-OG 2.67Å; S49-W51 VanDerWaalsContact C-N 3.29Å; S49-Q52 WeakPolarHBondContact O-CG 3.44Å
50N85.9Confident85.1Confident14 Ų1452.6 Ų52.68%0.07527%0.265CS..G310 helixtrans-79.4-13.4175.5-65.6-36.1000113L20 S24 L31 L44 D47 G48L20-N50 VanDerWaalsContact CD2-ND2 3.35Å; L20-N50 WeakPolarHBondContact CD2-ND2 3.43Å; L20-N50 PolarHBondContact O-OD1 3.15Å; S24-N50 PolarHBondContact N-OD1 2.84Å; L31-N50 HydrophobicContact CD1-CB 4.12Å; L31-N50 HydrophobicContact CD2-CB 4.23Å; L44-N50 PolarHBondContact O-ND2 2.59Å; D47-N50 WeakPolarHBondContact O-CB 3.34Å; D47-N50 PolarHBondContact O-N 3.43Å; G48-N50 PolarHBondContact O-N 3.28Å
51W85.9Confident84.8Confident18 Ų1862 Ų627%0.06829%0.293CS..G310 helixtrans-110.924.2-174.7-57.187.4000112.3V28 L31 A45 L46 G48 S49 R53 I54 C75 L79V28-W51 HydrophobicContact CB-CZ3 4.15Å; V28-W51 HydrophobicContact CG1-CH2 4.16Å; V28-W51 HydrophobicContact CG1-CZ3 3.69Å; V28-W51 HydrophobicContact CG2-CE3 4.4Å; V28-W51 HydrophobicContact CG2-CZ3 3.92Å; L31-W51 HydrophobicContact CB-CH2 3.98Å; L31-W51 HydrophobicContact CB-CZ2 3.78Å; L31-W51 HydrophobicContact CD1-CH2 4.42Å; L31-W51 HydrophobicContact CD1-CZ2 4.15Å; A45-W51 PolarHBondContact O-NE1 3.3Å; L46-W51 HydrophobicContact CD2-CZ2 4.2Å; G48-W51 PolarHBondContact O-N 3.05Å; S49-W51 VanDerWaalsContact C-N 3.29Å; W51-R53 PolarHBondContact O-N 3.19Å; W51-I54 HydrophobicContact CB-CD1 4.41Å; W51-I54 HydrophobicContact CE3-CD1 3.9Å; W51-I54 HydrophobicContact CE3-CG1 4.21Å; W51-C75 HydrophobicContact CB-CB 4.33Å; W51-C75 VanDerWaalsContact CB-SG 3.6Å; W51-L79 WeakPolarHBondContact O-CD1 3.47Å
52Q86.3Confident84.3Confident78 Ų7865.5 Ų65.536%0.36432%0.315SS..SBendtrans-67.4-27.2177.9-69-175.816.800112.7S49 R80 K81S49-Q52 WeakPolarHBondContact O-CG 3.44Å; Q52-R80 PolarHBondContact O-N 2.98Å; Q52-K81 PolarHBondContact O-N 3.01Å
53R86.6Confident84Confident177 Ų17763.6 Ų63.667%0.66831%0.305SS*.EExtended strand (participates in β ladder)trans-132.2122.8-179-54.7-174.1-169.91212.7109W51 K81W51-R53 PolarHBondContact O-N 3.19Å; R53-K81 WeakPolarHBondContact CA-O 3.38Å; R53-K81 HydrophobicContact CB-CB 4.31Å; R53-K81 HydrophobicContact CG-CB 4.04Å; R53-K81 HydrophobicContact CG-CD 4.18Å; R53-K81 HydrophobicContact CG-CG 4.08Å
54I84.7Confident84.1Confident5 Ų565.7 Ų65.73%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-128.6128.2178.9-65.4176.3000107.6V28 W51 L56 I71 L79 K81 L82 S83V28-I54 HydrophobicContact CG2-CG1 4.35Å; V28-I54 HydrophobicContact CG2-CG2 4.2Å; W51-I54 HydrophobicContact CB-CD1 4.41Å; W51-I54 HydrophobicContact CE3-CD1 3.9Å; W51-I54 HydrophobicContact CE3-CG1 4.21Å; I54-L56 HydrophobicContact CG2-CD1 4.3Å; I54-L56 HydrophobicContact CG2-CD2 3.98Å; I54-L56 HydrophobicContact CG2-CG 3.82Å; I54-I71 HydrophobicContact CD1-CG2 3.5Å; I54-I71 VanDerWaalsContact CD1-CG2 3.5Å; I54-L79 HydrophobicContact CB-CD1 4.36Å; I54-L79 HydrophobicContact CD1-CD1 3.78Å; I54-L79 HydrophobicContact CG1-CD1 3.94Å; I54-K81 PolarHBondContact N-O 2.83Å; I54-L82 HydrophobicContact CB-CD1 3.81Å; I54-L82 HydrophobicContact CG2-CD1 3.67Å; I54-L82 CarbonylContact O-C 3.31Å; I54-L82 WeakPolarHBondContact O-CA 3.31Å; I54-S83 PolarHBondContact O-N 3.22Å
55D84.6Confident84Confident97 Ų9765.7 Ų65.752%0.51931%0.312SS..EExtended strand (participates in β ladder)trans-122.2125.9169.5-164.9-8.2000109F57 S83D55-F57 WeakPolarHBondContact OD1-CB 3.34Å; D55-F57 PolarHBondContact OD1-N 2.94Å; D55-F57 VanDerWaalsContact OD1-N 3.14Å; D55-S83 VanDerWaalsContact OD1-CB 3.23Å; D55-S83 WeakPolarHBondContact OD1-CB 3.39Å; D55-S83 PolarHBondContact OD1-OG 3.39Å
56L82.1Confident84Confident6 Ų674.4 Ų74.43%0.03135%0.345CS..  trans-113.815.8-176.5-63.8177.7000112.8I54 D58 F59 Q60 I63 I71 S83 L84I54-L56 HydrophobicContact CG2-CD1 4.3Å; I54-L56 HydrophobicContact CG2-CD2 3.98Å; I54-L56 HydrophobicContact CG2-CG 3.82Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.42Å; L56-F59 HydrophobicContact CD2-CD2 4.2Å; L56-F59 CarbonylContact O-C 3.58Å; L56-F59 WeakPolarHBondContact O-CA 3.43Å; L56-F59 PolarHBondContact O-N 3.43Å; L56-Q60 PolarHBondContact O-N 3.31Å; L56-I63 HydrophobicContact CB-CD1 4.46Å; L56-I63 HydrophobicContact CB-CG1 4.12Å; L56-I63 HydrophobicContact CD1-CD1 3.83Å; L56-I63 HydrophobicContact CD1-CG1 4.12Å; L56-I63 HydrophobicContact CD1-CG2 4.29Å; L56-I63 HydrophobicContact CD2-CD1 4.26Å; L56-I63 HydrophobicContact CG-CD1 4.41Å; L56-I71 HydrophobicContact CD1-CD1 3.73Å; L56-S83 PolarHBondContact N-O 3.42Å; L56-S83 VanDerWaalsContact N-O 3.15Å; L56-L84 HydrophobicContact CD1-CD2 3.65Å; L56-L84 HydrophobicContact CG-CD2 4.49Å
57F81.6Confident84.2Confident82 Ų8275.6 Ų75.636%0.3635%0.353SS..G310 helixtrans-52.5-43.7-178.3-177.5-107.2000113.6D55 F59 Q60 R85D55-F57 WeakPolarHBondContact OD1-CB 3.34Å; D55-F57 PolarHBondContact OD1-N 2.94Å; D55-F57 VanDerWaalsContact OD1-N 3.14Å; F57-F59 PolarHBondContact O-N 3.02Å; F57-F59 VanDerWaalsContact O-N 3.1Å; F57-Q60 WeakPolarHBondContact O-CB 3.48Å; F57-Q60 WeakPolarHBondContact O-CG 3.47Å; F57-Q60 PolarHBondContact O-N 2.89Å; F57-R85 HydrophobicContact CD2-CB 4.2Å; F57-R85 HydrophobicContact CD2-CG 4.07Å; F57-R85 HydrophobicContact CE2-CG 4.26Å
58D79.8Confident84.4Confident139 Ų13973.7 Ų73.774%0.74334%0.343SS*.G310 helixtrans-65-16.3179.3-64.6-35.3000113.5L56L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.42Å
59F77.4Confident85Confident70 Ų7075.7 Ų75.731%0.30735%0.349SS..G310 helixtrans-111.410.7-177.6-51.6-73.2000112.6V29 L56 F57 R61 D62 I63V29-F59 HydrophobicContact CG2-CE1 4.24Å; V29-F59 HydrophobicContact CG2-CE2 3.95Å; V29-F59 HydrophobicContact CG2-CZ 3.35Å; L56-F59 HydrophobicContact CD2-CD2 4.2Å; L56-F59 CarbonylContact O-C 3.58Å; L56-F59 WeakPolarHBondContact O-CA 3.43Å; L56-F59 PolarHBondContact O-N 3.43Å; F57-F59 PolarHBondContact O-N 3.02Å; F57-F59 VanDerWaalsContact O-N 3.1Å; F59-R61 PolarHBondContact O-N 3.21Å; F59-D62 WeakPolarHBondContact O-CA 3.48Å; F59-D62 PolarHBondContact O-N 3Å; F59-I63 HydrophobicContact CB-CD1 3.98Å; F59-I63 HydrophobicContact CB-CG1 3.66Å; F59-I63 VanDerWaalsContact O-CG1 3.32Å; F59-I63 WeakPolarHBondContact O-CG1 3.39Å; F59-I63 PolarHBondContact O-N 2.66Å
60Q79.9Confident85.2Confident63 Ų6378 Ų7829%0.29436%0.358SS..THydrogen-bonded Turntrans-52.3-26.9-170.963.3-174.9-21.300115.5L56 F57 C87L56-Q60 PolarHBondContact O-N 3.31Å; F57-Q60 WeakPolarHBondContact O-CB 3.48Å; F57-Q60 WeakPolarHBondContact O-CG 3.47Å; F57-Q60 PolarHBondContact O-N 2.89Å; Q60-C87 WeakPolarHBondContact O-CA 3.49Å
61R81.6Confident85.3Confident233 Ų23378.5 Ų78.588%0.87936%0.361SS*.THydrogen-bonded Turntrans-83-24.6176.1-65.7-173.8177.9-177.2-0113.8F59F59-R61 PolarHBondContact O-N 3.21Å
62D81.9Confident85.6Confident118 Ų11877.7 Ų77.763%0.63136%0.358SS*.THydrogen-bonded Turntrans-99.4-18.8-174.8-54.3-44.7000112.4F59 E64F59-D62 WeakPolarHBondContact O-CA 3.48Å; F59-D62 PolarHBondContact O-N 3Å; D62-E64 PolarHBondContact O-N 2.98Å
63I84Confident85.7Confident12 Ų1280 Ų806%0.06237%0.367CS..  trans-76.9106.6-178.6-63.7-64.4000110.9L56 F59 V67 V68 C87 V90L56-I63 HydrophobicContact CB-CD1 4.46Å; L56-I63 HydrophobicContact CB-CG1 4.12Å; L56-I63 HydrophobicContact CD1-CD1 3.83Å; L56-I63 HydrophobicContact CD1-CG1 4.12Å; L56-I63 HydrophobicContact CD1-CG2 4.29Å; L56-I63 HydrophobicContact CD2-CD1 4.26Å; L56-I63 HydrophobicContact CG-CD1 4.41Å; F59-I63 HydrophobicContact CB-CD1 3.98Å; F59-I63 HydrophobicContact CB-CG1 3.66Å; F59-I63 VanDerWaalsContact O-CG1 3.32Å; F59-I63 WeakPolarHBondContact O-CG1 3.39Å; F59-I63 PolarHBondContact O-N 2.66Å; I63-V67 HydrophobicContact CD1-CB 4.2Å; I63-V67 HydrophobicContact CD1-CG1 3.68Å; I63-V67 HydrophobicContact CD1-CG2 4.49Å; I63-V68 HydrophobicContact CG2-CG2 4.01Å; I63-C87 HydrophobicContact CB-CB 4.42Å; I63-C87 HydrophobicContact CG2-CB 4.31Å; I63-V90 HydrophobicContact CG2-CG2 3.99Å
64E89.1Confident85.5Confident133 Ų13378.3 Ų78.362%0.62136%0.36SS*.BIsolated β-bridgetrans-95.5164.5167.7-62.2-176.617400111.9D62 R66 V67D62-E64 PolarHBondContact O-N 2.98Å; E64-R66 PolarHBondContact O-N 2.79Å; E64-R66 VanDerWaalsContact O-N 3.09Å; E64-V67 WeakPolarHBondContact O-CB 3.07Å; E64-V67 PolarHBondContact O-N 3.17Å
65G88.1Confident85.5Confident13 Ų1378.2 Ų78.213%0.13436%0.361CS..Hα-helixtrans-51.1-36.7178.700000114.6V67 V68 E69 A94G65-V67 VanDerWaalsContact C-N 3.27Å; G65-V67 PolarHBondContact O-N 3.28Å; G65-V68 WeakPolarHBondContact O-CB 3.47Å; G65-V68 PolarHBondContact O-N 3.3Å; G65-V68 VanDerWaalsContact O-N 3.15Å; G65-E69 WeakPolarHBondContact O-CG 3.34Å; G65-E69 PolarHBondContact O-N 2.83Å; G65-A94 VanDerWaalsContact CA-CB 3.42Å; G65-A94 WeakPolarHBondContact O-CB 3.5Å
66R90.3Very high85.7Confident183 Ų18374.3 Ų74.369%0.69134%0.343SS*.Hα-helixtrans-61.8-33.1179.2-170.8174.1-175.8179.60.8113.1E64 E69 N70E64-R66 PolarHBondContact O-N 2.79Å; E64-R66 VanDerWaalsContact O-N 3.09Å; R66-E69 PolarHBondContact O-N 2.98Å; R66-N70 WeakPolarHBondContact O-CB 3.39Å; R66-N70 VanDerWaalsContact O-CG 3.26Å; R66-N70 PolarHBondContact O-N 2.87Å; R66-N70 PolarHBondContact O-ND2 2.92Å
67V88.8Confident86Confident56 Ų5675.7 Ų75.734%0.33936%0.359SS..Hα-helixtrans-67.5-45.3177.2-178.50000109.8I63 E64 G65 E69 N70 I71I63-V67 HydrophobicContact CD1-CB 4.2Å; I63-V67 HydrophobicContact CD1-CG1 3.68Å; I63-V67 HydrophobicContact CD1-CG2 4.49Å; E64-V67 WeakPolarHBondContact O-CB 3.07Å; E64-V67 PolarHBondContact O-N 3.17Å; G65-V67 VanDerWaalsContact C-N 3.27Å; G65-V67 PolarHBondContact O-N 3.28Å; V67-E69 VanDerWaalsContact C-N 3.32Å; V67-E69 PolarHBondContact O-N 2.99Å; V67-N70 PolarHBondContact O-N 3.09Å; V67-I71 HydrophobicContact CG1-CD1 3.87Å; V67-I71 HydrophobicContact CG1-CG1 4.43Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.48Å; V67-I71 PolarHBondContact O-N 3.4Å
68V91.8Very high86.4Confident1 Ų177.3 Ų77.31%0.00637%0.366CS..Hα-helixtrans-60.5-42.7176.3-178.40000111.1I63 G65 I71 S72 L84 V90 A94 L95 F98I63-V68 HydrophobicContact CG2-CG2 4.01Å; G65-V68 WeakPolarHBondContact O-CB 3.47Å; G65-V68 PolarHBondContact O-N 3.3Å; G65-V68 VanDerWaalsContact O-N 3.15Å; V68-I71 PolarHBondContact O-N 3.15Å; V68-S72 WeakPolarHBondContact O-CB 3.23Å; V68-S72 PolarHBondContact O-N 3.04Å; V68-L84 HydrophobicContact CG1-CD1 4.09Å; V68-L84 HydrophobicContact CG2-CD1 3.94Å; V68-L84 HydrophobicContact CG2-CD2 3.94Å; V68-V90 HydrophobicContact CG2-CG1 4.31Å; V68-V90 HydrophobicContact CG2-CG2 3.68Å; V68-A94 HydrophobicContact CB-CB 4.42Å; V68-L95 HydrophobicContact CG1-CD2 4.45Å; V68-F98 HydrophobicContact CG1-CB 4.13Å; V68-F98 HydrophobicContact CG1-CD2 4.33Å; V68-F98 HydrophobicContact CG1-CG 4.45Å
69E92.6Very high87Confident53 Ų5370.7 Ų70.725%0.24833%0.33CS..Hα-helixtrans-60.9-45.7175.2-70.6178-151.800112.3G65 R66 V67 S72 K73 A94 T97G65-E69 WeakPolarHBondContact O-CG 3.34Å; G65-E69 PolarHBondContact O-N 2.83Å; R66-E69 PolarHBondContact O-N 2.98Å; V67-E69 VanDerWaalsContact C-N 3.32Å; V67-E69 PolarHBondContact O-N 2.99Å; E69-S72 PolarHBondContact O-N 2.87Å; E69-S72 PolarHBondContact O-OG 3.39Å; E69-K73 WeakPolarHBondContact O-CG 3.4Å; E69-K73 PolarHBondContact O-N 2.88Å; E69-A94 HydrophobicContact CG-CB 4.26Å; E69-T97 HydrophobicContact CB-CG2 4.28Å; E69-T97 HydrophobicContact CG-CG2 3.97Å
70N87.3Confident87.8Confident86 Ų8670.8 Ų70.846%0.4633%0.329SS..Hα-helixtrans-64.3-43.8178.8-74.5-20.9000111.7R66 V67 S72 K73 R74R66-N70 WeakPolarHBondContact O-CB 3.39Å; R66-N70 VanDerWaalsContact O-CG 3.26Å; R66-N70 PolarHBondContact O-N 2.87Å; R66-N70 PolarHBondContact O-ND2 2.92Å; V67-N70 PolarHBondContact O-N 3.09Å; N70-S72 VanDerWaalsContact C-N 3.27Å; N70-S72 PolarHBondContact O-N 3.27Å; N70-K73 PolarHBondContact O-N 3.42Å; N70-R74 WeakPolarHBondContact O-CB 3.38Å; N70-R74 PolarHBondContact O-N 2.88Å
71I87.3Confident88.6Confident26 Ų2671.9 Ų71.913%0.13333%0.332CS..Hα-helixtrans-57.8-44.7173.6-71.1169.4000109.7I54 L56 V67 V68 K73 R74 C75 L79I54-I71 HydrophobicContact CD1-CG2 3.5Å; I54-I71 VanDerWaalsContact CD1-CG2 3.5Å; L56-I71 HydrophobicContact CD1-CD1 3.73Å; V67-I71 HydrophobicContact CG1-CD1 3.87Å; V67-I71 HydrophobicContact CG1-CG1 4.43Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.48Å; V67-I71 PolarHBondContact O-N 3.4Å; V68-I71 PolarHBondContact O-N 3.15Å; I71-K73 PolarHBondContact O-N 3.23Å; I71-R74 PolarHBondContact O-N 3.41Å; I71-C75 WeakPolarHBondContact O-CB 3.32Å; I71-C75 PolarHBondContact O-N 3.12Å; I71-C75 PolarHBondContact O-SG 3.2Å; I71-L79 HydrophobicContact CG2-CD2 4.48Å
72S91.5Very high89.2Confident0 Ų061 Ų610%029%0.292CS..Hα-helixtrans-62.1-42.2-179.580.70000112.9V68 E69 N70 R74 G76 N101 C102V68-S72 WeakPolarHBondContact O-CB 3.23Å; V68-S72 PolarHBondContact O-N 3.04Å; E69-S72 PolarHBondContact O-N 2.87Å; E69-S72 PolarHBondContact O-OG 3.39Å; N70-S72 VanDerWaalsContact C-N 3.27Å; N70-S72 PolarHBondContact O-N 3.27Å; S72-R74 VanDerWaalsContact C-N 3.34Å; S72-G76 VanDerWaalsContact O-CA 3.23Å; S72-G76 WeakPolarHBondContact O-CA 3.42Å; S72-G76 PolarHBondContact O-N 3.1Å; S72-N101 WeakPolarHBondContact O-CB 3.35Å; S72-N101 PolarHBondContact OG-ND2 3.15Å; S72-C102 VanDerWaalsContact CA-SG 3.59Å
73K87.9Confident89.9Confident128 Ų12856.1 Ų56.156%0.55727%0.267SS*.Hα-helixtrans-68.4-36.4177.5-69.7170.6-174.8166.90111.4E69 N70 I71E69-K73 WeakPolarHBondContact O-CG 3.4Å; E69-K73 PolarHBondContact O-N 2.88Å; N70-K73 PolarHBondContact O-N 3.42Å; I71-K73 PolarHBondContact O-N 3.23Å
74R83.9Confident90.4Very high140 Ų14055.6 Ų55.653%0.52826%0.264SS..Hα-helixtrans-73-49-179-177.570.2-158.6-17315.8112.3L46 N70 I71 S72L46-R74 VanDerWaalsContact CB-CZ 3.48Å; L46-R74 PolarHBondContact O-NH2 3.28Å; N70-R74 WeakPolarHBondContact O-CB 3.38Å; N70-R74 PolarHBondContact O-N 2.88Å; I71-R74 PolarHBondContact O-N 3.41Å; S72-R74 VanDerWaalsContact C-N 3.34Å
75C85.2Confident90.6Very high4 Ų454.9 Ų54.93%0.02726%0.256CS..Hα-helixtrans-85-37.3-173.1-51.20000111.1W51 I71 G77 F78 L79W51-C75 HydrophobicContact CB-CB 4.33Å; W51-C75 VanDerWaalsContact CB-SG 3.6Å; I71-C75 WeakPolarHBondContact O-CB 3.32Å; I71-C75 PolarHBondContact O-N 3.12Å; I71-C75 PolarHBondContact O-SG 3.2Å; C75-G77 PolarHBondContact O-N 3.26Å; C75-F78 PolarHBondContact O-N 2.93Å; C75-L79 HydrophobicContact CB-CB 3.9Å; C75-L79 HydrophobicContact CB-CD2 4.46Å
76G87.9Confident90.7Very high14 Ų1455 Ų5514%0.14426%0.257CS..G310 helixtrans46.6-125178.400000112.6S72 F78 L79 N101S72-G76 VanDerWaalsContact O-CA 3.23Å; S72-G76 WeakPolarHBondContact O-CA 3.42Å; S72-G76 PolarHBondContact O-N 3.1Å; G76-F78 PolarHBondContact O-N 3.3Å; G76-F78 VanDerWaalsContact O-N 3.15Å; G76-L79 PolarHBondContact O-N 3.04Å; G76-N101 CarbonylContact C-O 3.59Å; G76-N101 VanDerWaalsContact C-O 3.31Å; G76-N101 WeakPolarHBondContact CA-O 3.47Å
77G87.7Confident90.8Very high36 Ų3646.3 Ų46.337%0.37122%0.224SC..G310 helixtrans-68.5-6.7-177.400000116.3C75 N104C75-G77 PolarHBondContact O-N 3.26Å; G77-N104 WeakPolarHBondContact O-CB 3.49Å; G77-N104 PolarHBondContact O-ND2 3.24Å
78F90Very high90.8Very high115 Ų11548.2 Ų48.250%0.50423%0.232SC..G310 helixtrans-86.2-23.9177.9-67.6-79.3000113.2G48 C75 G76 R80G48-F78 WeakPolarHBondContact O-CB 3.28Å; C75-F78 PolarHBondContact O-N 2.93Å; G76-F78 PolarHBondContact O-N 3.3Å; G76-F78 VanDerWaalsContact O-N 3.15Å; F78-R80 PolarHBondContact O-N 3.15Å
79L92.2Very high90.7Very high0 Ų049.7 Ų49.70%025%0.247CC..  trans-69.3123.2-175.8-170.262.5000110.5W51 I54 I71 C75 G76 K81 L82 F98 C102 N104 I105W51-L79 WeakPolarHBondContact O-CD1 3.47Å; I54-L79 HydrophobicContact CB-CD1 4.36Å; I54-L79 HydrophobicContact CD1-CD1 3.78Å; I54-L79 HydrophobicContact CG1-CD1 3.94Å; I71-L79 HydrophobicContact CG2-CD2 4.48Å; C75-L79 HydrophobicContact CB-CB 3.9Å; C75-L79 HydrophobicContact CB-CD2 4.46Å; G76-L79 PolarHBondContact O-N 3.04Å; L79-K81 WeakPolarHBondContact CD1-O 3.46Å; L79-L82 HydrophobicContact CD2-CB 4.26Å; L79-L82 HydrophobicContact CD2-CD2 4.46Å; L79-F98 HydrophobicContact CD2-CE2 3.55Å; L79-F98 HydrophobicContact CD2-CZ 4.23Å; L79-C102 HydrophobicContact CD2-CB 4.47Å; L79-N104 CarbonylContact O-C 3.33Å; L79-I105 HydrophobicContact CD2-CD1 4.43Å; L79-I105 HydrophobicContact CG-CD1 4.03Å
80R95.3Very high90.8Very high73 Ų7347.1 Ų47.128%0.27524%0.236SC..  trans-112.9-32.9179.8-60.4-55.5-176.5145.2-2.7112.5Q52 F78 N104 I105 E106 V107Q52-R80 PolarHBondContact O-N 2.98Å; F78-R80 PolarHBondContact O-N 3.15Å; R80-N104 WeakPolarHBondContact CD-O 3.13Å; R80-N104 PolarHBondContact NH1-O 3.18Å; R80-I105 WeakPolarHBondContact O-CD1 3.31Å; R80-E106 IonicContact CZ-OE1 3.59Å; R80-E106 IonicContact NE-OE1 3.88Å; R80-E106 IonicContact NH1-OE1 2.72Å; R80-E106 PolarHBondContact NH1-OE1 3.42Å; R80-E106 PolarHBondContact O-N 2.96Å; R80-V107 PolarHBondContact O-N 3.49Å
81K96Very high91.2Very high85 Ų8543.9 Ų43.937%0.3722%0.222SC..EExtended strand (participates in β ladder)trans-133.6127.7-179.9-48.5-164.1176.1-172.20110.8Q52 R53 I54 L79 V107Q52-K81 PolarHBondContact O-N 3.01Å; R53-K81 WeakPolarHBondContact CA-O 3.38Å; R53-K81 HydrophobicContact CB-CB 4.31Å; R53-K81 HydrophobicContact CG-CB 4.04Å; R53-K81 HydrophobicContact CG-CD 4.18Å; R53-K81 HydrophobicContact CG-CG 4.08Å; I54-K81 PolarHBondContact N-O 2.83Å; L79-K81 WeakPolarHBondContact CD1-O 3.46Å; K81-V107 VanDerWaalsContact CA-O 3.3Å; K81-V107 WeakPolarHBondContact CA-O 3.3Å; K81-V107 HydrophobicContact CB-CB 3.97Å; K81-V107 HydrophobicContact CD-CB 4.08Å; K81-V107 HydrophobicContact CD-CG2 3.79Å; K81-V107 HydrophobicContact CG-CB 3.78Å; K81-V107 HydrophobicContact CG-CG2 3.81Å
82L95.4Very high91.7Very high4 Ų443.9 Ų43.92%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-132.8128.7173.8177.463.5000110I54 L79 L84 F98 I105 V107 L108 N109I54-L82 HydrophobicContact CB-CD1 3.81Å; I54-L82 HydrophobicContact CG2-CD1 3.67Å; I54-L82 CarbonylContact O-C 3.31Å; I54-L82 WeakPolarHBondContact O-CA 3.31Å; L79-L82 HydrophobicContact CD2-CB 4.26Å; L79-L82 HydrophobicContact CD2-CD2 4.46Å; L82-L84 HydrophobicContact CD1-CD2 4.02Å; L82-L84 HydrophobicContact CD1-CG 4.34Å; L82-L84 HydrophobicContact CD2-CD1 3.97Å; L82-L84 HydrophobicContact CD2-CD2 4.19Å; L82-L84 HydrophobicContact CD2-CG 3.95Å; L82-L84 HydrophobicContact CG-CD2 4.19Å; L82-L84 HydrophobicContact CG-CG 3.97Å; L82-F98 HydrophobicContact CB-CE2 4.48Å; L82-F98 HydrophobicContact CB-CZ 4.36Å; L82-F98 HydrophobicContact CD2-CD2 3.9Å; L82-F98 HydrophobicContact CD2-CE2 3.29Å; L82-F98 HydrophobicContact CD2-CZ 3.68Å; L82-F98 HydrophobicContact CG-CE2 4.49Å; L82-I105 HydrophobicContact CB-CD1 4.13Å; L82-V107 PolarHBondContact N-O 2.82Å; L82-L108 HydrophobicContact CB-CD1 3.98Å; L82-L108 HydrophobicContact CD2-CD1 4.1Å; L82-L108 HydrophobicContact CG-CD1 4.21Å; L82-L108 WeakPolarHBondContact O-CA 3.41Å; L82-N109 PolarHBondContact O-N 2.91Å
83S95.3Very high91.9Very high17 Ų1749.5 Ų49.512%0.11925%0.253CS..EExtended strand (participates in β ladder)trans-111.4122.3168.1169.10000110.2I54 D55 L56I54-S83 PolarHBondContact O-N 3.22Å; D55-S83 VanDerWaalsContact OD1-CB 3.23Å; D55-S83 WeakPolarHBondContact OD1-CB 3.39Å; D55-S83 PolarHBondContact OD1-OG 3.39Å; L56-S83 PolarHBondContact N-O 3.42Å; L56-S83 VanDerWaalsContact N-O 3.15Å
84L94.8Very high92.3Very high0 Ų043.6 Ų43.60%023%0.228CC..  trans-117.625.3172.3-59.9179000110.4L56 V68 L82 G86 C87 V90 L95 N109 L110 C113L56-L84 HydrophobicContact CD1-CD2 3.65Å; L56-L84 HydrophobicContact CG-CD2 4.49Å; V68-L84 HydrophobicContact CG1-CD1 4.09Å; V68-L84 HydrophobicContact CG2-CD1 3.94Å; V68-L84 HydrophobicContact CG2-CD2 3.94Å; L82-L84 HydrophobicContact CD1-CD2 4.02Å; L82-L84 HydrophobicContact CD1-CG 4.34Å; L82-L84 HydrophobicContact CD2-CD1 3.97Å; L82-L84 HydrophobicContact CD2-CD2 4.19Å; L82-L84 HydrophobicContact CD2-CG 3.95Å; L82-L84 HydrophobicContact CG-CD2 4.19Å; L82-L84 HydrophobicContact CG-CG 3.97Å; L84-G86 PolarHBondContact O-N 2.72Å; L84-C87 VanDerWaalsContact C-SG 3.57Å; L84-C87 HydrophobicContact CB-CB 4.21Å; L84-C87 WeakPolarHBondContact O-CB 3.36Å; L84-C87 PolarHBondContact O-N 3.46Å; L84-C87 PolarHBondContact O-SG 2.83Å; L84-V90 HydrophobicContact CD1-CG1 4.12Å; L84-V90 HydrophobicContact CD1-CG2 4.45Å; L84-L95 HydrophobicContact CD1-CD2 3.99Å; L84-N109 PolarHBondContact N-O 3.45Å; L84-L110 HydrophobicContact CB-CD2 4.16Å; L84-L110 HydrophobicContact CD1-CD2 3.86Å; L84-L110 HydrophobicContact CG-CD2 4.39Å; L84-C113 PolarHBondContact O-SG 2.81Å
85R93.3Very high93Very high118 Ų11837 Ų3745%0.44520%0.203SC..THydrogen-bonded Turntrans-52.3129.6-177.6178.3175.8-177.6-166.8-0110.7F57 C87 N111F57-R85 HydrophobicContact CD2-CB 4.2Å; F57-R85 HydrophobicContact CD2-CG 4.07Å; F57-R85 HydrophobicContact CE2-CG 4.26Å; R85-C87 PolarHBondContact O-N 2.96Å; R85-N111 CarbonylContact C-O 3.45Å; R85-N111 VanDerWaalsContact CA-O 3.31Å; R85-N111 WeakPolarHBondContact CA-O 3.47Å; R85-N111 HydrophobicContact CG-CB 4.08Å
86G91Very high93.6Very high16 Ų1641.8 Ų41.817%0.16522%0.22CC..THydrogen-bonded Turntrans72.34.1178.800000115.1L84 L88 N111L84-G86 PolarHBondContact O-N 2.72Å; G86-L88 VanDerWaalsContact C-N 3.32Å; G86-L88 PolarHBondContact O-N 3.1Å; G86-N111 PolarHBondContact N-O 2.91Å
87C91.8Very high94.1Very high0 Ų042.6 Ų42.60%022%0.223CC..  trans-75.979.4-178-63.60000111.6Q60 I63 L84 R85 G89 V90Q60-C87 WeakPolarHBondContact O-CA 3.49Å; I63-C87 HydrophobicContact CB-CB 4.42Å; I63-C87 HydrophobicContact CG2-CB 4.31Å; L84-C87 VanDerWaalsContact C-SG 3.57Å; L84-C87 HydrophobicContact CB-CB 4.21Å; L84-C87 WeakPolarHBondContact O-CB 3.36Å; L84-C87 PolarHBondContact O-N 3.46Å; L84-C87 PolarHBondContact O-SG 2.83Å; R85-C87 PolarHBondContact O-N 2.96Å; C87-G89 PolarHBondContact O-N 2.95Å; C87-V90 HydrophobicContact CB-CB 4.45Å; C87-V90 HydrophobicContact CB-CG2 3.74Å; C87-V90 PolarHBondContact O-N 3.45Å; C87-V90 VanDerWaalsContact O-N 3.07Å
88L89.8Confident94.6Very high97 Ų9740.9 Ų40.951%0.50821%0.205SC..THydrogen-bonded Turntrans-60.8-19.2-177-55.5-179.6000114G86 V90 G112 T114 K115G86-L88 VanDerWaalsContact C-N 3.32Å; G86-L88 PolarHBondContact O-N 3.1Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-G112 VanDerWaalsContact CD2-O 3.22Å; L88-G112 WeakPolarHBondContact CD2-O 3.41Å; L88-T114 HydrophobicContact CD2-CG2 4.24Å; L88-K115 VanDerWaalsContact O-CD 3.27Å; L88-K115 WeakPolarHBondContact O-CD 3.4Å; L88-K115 VanDerWaalsContact O-CE 3.3Å; L88-K115 WeakPolarHBondContact O-CE 3.23Å
89G89.5Confident94.9Very high31 Ų3135.4 Ų35.432%0.3218%0.181SC..BIsolated β-bridgetrans-78.4-11.6177.500000114.5C87C87-G89 PolarHBondContact O-N 2.95Å
90V93.4Very high95.2Very high0 Ų038.9 Ų38.90%020%0.197CC..  trans-91.4125.1-175.7-179.40000110.5I63 V68 L84 C87 L88 L95I63-V90 HydrophobicContact CG2-CG2 3.99Å; V68-V90 HydrophobicContact CG2-CG1 4.31Å; V68-V90 HydrophobicContact CG2-CG2 3.68Å; L84-V90 HydrophobicContact CD1-CG1 4.12Å; L84-V90 HydrophobicContact CD1-CG2 4.45Å; C87-V90 HydrophobicContact CB-CB 4.45Å; C87-V90 HydrophobicContact CB-CG2 3.74Å; C87-V90 PolarHBondContact O-N 3.45Å; C87-V90 VanDerWaalsContact O-N 3.07Å; L88-V90 VanDerWaalsContact C-N 3.33Å; V90-L95 HydrophobicContact CG1-CD1 4.21Å; V90-L95 HydrophobicContact CG1-CD2 4.22Å; V90-L95 HydrophobicContact CG1-CG 3.88Å
91G95.3Very high95.2Very high17 Ų1738.2 Ų38.218%0.17520%0.199CC..BIsolated β-bridgetrans-128.7-176.9176.400000113N93 A94 L95G91-N93 VanDerWaalsContact C-N 3.3Å; G91-N93 PolarHBondContact O-N 3.04Å; G91-N93 VanDerWaalsContact O-N 3.16Å; G91-A94 PolarHBondContact O-N 2.89Å; G91-L95 PolarHBondContact O-N 3.14Å
92D97.8Very high95.2Very high27 Ų2734.2 Ų34.214%0.14418%0.181CC..Hα-helixtrans-57.8-34.6-169-63.4-42.4000114.9L95 R96 I116 T117 A119 T120D92-L95 PolarHBondContact O-N 3.28Å; D92-R96 VanDerWaalsContact O-CB 3.26Å; D92-R96 WeakPolarHBondContact O-CB 3.48Å; D92-R96 PolarHBondContact O-N 3.12Å; D92-I116 WeakPolarHBondContact OD1-CA 3.42Å; D92-T117 PolarHBondContact OD1-N 2.89Å; D92-T117 WeakPolarHBondContact OD2-CB 3.38Å; D92-T117 PolarHBondContact OD2-N 3.28Å; D92-T117 PolarHBondContact OD2-OG1 2.85Å; D92-A119 HydrophobicContact CB-CB 4.13Å; D92-T120 WeakPolarHBondContact OD1-CB 3.44Å; D92-T120 PolarHBondContact OD1-N 2.9Å; D92-T120 PolarHBondContact OD1-OG1 3.34Å
93N97.2Very high95.3Very high118 Ų11841.2 Ų41.263%0.63121%0.208SC*.Hα-helixtrans-64.5-45.4-179.3-74-18.2000112G91 L95 R96 T97G91-N93 VanDerWaalsContact C-N 3.3Å; G91-N93 PolarHBondContact O-N 3.04Å; G91-N93 VanDerWaalsContact O-N 3.16Å; N93-L95 VanDerWaalsContact C-N 3.33Å; N93-L95 PolarHBondContact O-N 2.8Å; N93-R96 WeakPolarHBondContact O-CB 3.36Å; N93-R96 PolarHBondContact O-N 3Å; N93-T97 PolarHBondContact O-N 3.28Å; N93-T97 VanDerWaalsContact O-N 3.12Å; N93-T97 PolarHBondContact O-OG1 2.85Å
94A96.6Very high95.4Very high4 Ų442.2 Ų42.23%0.03321%0.212CC..Hα-helixtrans-64.7-41.6177.700000110.9G65 V68 E69 G91 T97 F98G65-A94 VanDerWaalsContact CA-CB 3.42Å; G65-A94 WeakPolarHBondContact O-CB 3.5Å; V68-A94 HydrophobicContact CB-CB 4.42Å; E69-A94 HydrophobicContact CG-CB 4.26Å; G91-A94 PolarHBondContact O-N 2.89Å; A94-T97 PolarHBondContact O-N 3.04Å; A94-F98 VanDerWaalsContact O-CB 3.32Å; A94-F98 WeakPolarHBondContact O-CB 3.18Å; A94-F98 PolarHBondContact O-N 3.33Å
95L97.8Very high95.5Very high0 Ų042.2 Ų42.20%021%0.212CC..Hα-helixtrans-71.1-28.9178.3-73.1-179.8000113.5V68 L84 V90 G91 D92 N93 F98 A99 L110 I116 T120V68-L95 HydrophobicContact CG1-CD2 4.45Å; L84-L95 HydrophobicContact CD1-CD2 3.99Å; V90-L95 HydrophobicContact CG1-CD1 4.21Å; V90-L95 HydrophobicContact CG1-CD2 4.22Å; V90-L95 HydrophobicContact CG1-CG 3.88Å; G91-L95 PolarHBondContact O-N 3.14Å; D92-L95 PolarHBondContact O-N 3.28Å; N93-L95 VanDerWaalsContact C-N 3.33Å; N93-L95 PolarHBondContact O-N 2.8Å; L95-F98 HydrophobicContact CD2-CB 4.48Å; L95-F98 HydrophobicContact CD2-CD1 4.23Å; L95-F98 HydrophobicContact CD2-CG 4.47Å; L95-F98 WeakPolarHBondContact O-CB 3.31Å; L95-F98 PolarHBondContact O-N 3.46Å; L95-A99 VanDerWaalsContact O-CB 3.31Å; L95-A99 WeakPolarHBondContact O-CB 3.18Å; L95-A99 PolarHBondContact O-N 3.13Å; L95-L110 HydrophobicContact CD1-CD1 3.69Å; L95-L110 HydrophobicContact CD1-CD2 3.94Å; L95-L110 HydrophobicContact CD1-CG 4.46Å; L95-L110 HydrophobicContact CD2-CD2 4Å; L95-I116 HydrophobicContact CD1-CB 4.45Å; L95-I116 HydrophobicContact CD1-CG2 3.57Å; L95-T120 HydrophobicContact CB-CG2 4.04Å; L95-T120 HydrophobicContact CD1-CG2 3.5Å; L95-T120 VanDerWaalsContact CD1-CG2 3.5Å; L95-T120 HydrophobicContact CG-CG2 4.4Å
96R98.3Very high95.8Very high105 Ų10539.2 Ų39.240%0.39620%0.203SC..Hα-helixtrans-63.4-50.8170.4-177.4-167.2-55.6-92.9-0.6111D92 N93 F98 A99 Q100D92-R96 VanDerWaalsContact O-CB 3.26Å; D92-R96 WeakPolarHBondContact O-CB 3.48Å; D92-R96 PolarHBondContact O-N 3.12Å; N93-R96 WeakPolarHBondContact O-CB 3.36Å; N93-R96 PolarHBondContact O-N 3Å; R96-F98 VanDerWaalsContact C-N 3.29Å; R96-F98 PolarHBondContact O-N 2.87Å; R96-A99 PolarHBondContact O-N 2.88Å; R96-Q100 VanDerWaalsContact O-CG 3.3Å; R96-Q100 WeakPolarHBondContact O-CG 3.49Å; R96-Q100 PolarHBondContact O-N 3.4Å; R96-Q100 VanDerWaalsContact O-N 3.13Å
97T97.6Very high96.1Very high32 Ų3240 Ų4020%0.19621%0.205CC..Hα-helixtrans-61.8-40.8176.4-62.20000111.1E69 N93 A94 Q100 N101E69-T97 HydrophobicContact CB-CG2 4.28Å; E69-T97 HydrophobicContact CG-CG2 3.97Å; N93-T97 PolarHBondContact O-N 3.28Å; N93-T97 VanDerWaalsContact O-N 3.12Å; N93-T97 PolarHBondContact O-OG1 2.85Å; A94-T97 PolarHBondContact O-N 3.04Å; T97-Q100 PolarHBondContact O-N 3.25Å; T97-N101 PolarHBondContact O-N 3.07Å; T97-N101 PolarHBondContact O-ND2 3.2Å
98F97.8Very high96.5Very high0 Ų040.1 Ų40.10%021%0.205CC..Hα-helixtrans-56.9-53.4173.8167.6-95000112.3V68 L79 L82 A94 L95 R96 Q100 N101 C102 I105 L108V68-F98 HydrophobicContact CG1-CB 4.13Å; V68-F98 HydrophobicContact CG1-CD2 4.33Å; V68-F98 HydrophobicContact CG1-CG 4.45Å; L79-F98 HydrophobicContact CD2-CE2 3.55Å; L79-F98 HydrophobicContact CD2-CZ 4.23Å; L82-F98 HydrophobicContact CB-CE2 4.48Å; L82-F98 HydrophobicContact CB-CZ 4.36Å; L82-F98 HydrophobicContact CD2-CD2 3.9Å; L82-F98 HydrophobicContact CD2-CE2 3.29Å; L82-F98 HydrophobicContact CD2-CZ 3.68Å; L82-F98 HydrophobicContact CG-CE2 4.49Å; A94-F98 VanDerWaalsContact O-CB 3.32Å; A94-F98 WeakPolarHBondContact O-CB 3.18Å; A94-F98 PolarHBondContact O-N 3.33Å; L95-F98 HydrophobicContact CD2-CB 4.48Å; L95-F98 HydrophobicContact CD2-CD1 4.23Å; L95-F98 HydrophobicContact CD2-CG 4.47Å; L95-F98 WeakPolarHBondContact O-CB 3.31Å; L95-F98 PolarHBondContact O-N 3.46Å; R96-F98 VanDerWaalsContact C-N 3.29Å; R96-F98 PolarHBondContact O-N 2.87Å; F98-Q100 VanDerWaalsContact C-N 3.26Å; F98-Q100 PolarHBondContact O-N 3.45Å; F98-N101 PolarHBondContact O-N 3.16Å; F98-N101 VanDerWaalsContact O-N 3.12Å; F98-C102 HydrophobicContact CD2-CB 4.11Å; F98-C102 HydrophobicContact CE1-CB 4.41Å; F98-C102 HydrophobicContact CE2-CB 3.74Å; F98-C102 HydrophobicContact CZ-CB 3.91Å; F98-C102 WeakPolarHBondContact O-CB 3.32Å; F98-C102 PolarHBondContact O-N 3.33Å; F98-I105 HydrophobicContact CE1-CG1 4.49Å; F98-I105 HydrophobicContact CZ-CB 4.43Å; F98-I105 HydrophobicContact CZ-CD1 3.95Å; F98-I105 HydrophobicContact CZ-CG1 4.03Å; F98-L108 HydrophobicContact CE1-CD1 3.98Å; F98-L108 HydrophobicContact CE1-CD2 4.13Å; F98-L108 HydrophobicContact CZ-CD1 4.04Å
99A97.8Very high96.9Very high0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-58.7-39.2-177.900000111.7L95 R96 N101 L124 F127L95-A99 VanDerWaalsContact O-CB 3.31Å; L95-A99 WeakPolarHBondContact O-CB 3.18Å; L95-A99 PolarHBondContact O-N 3.13Å; R96-A99 PolarHBondContact O-N 2.88Å; A99-N101 VanDerWaalsContact C-N 3.33Å; A99-N101 PolarHBondContact O-N 3.26Å; A99-L124 HydrophobicContact CB-CD2 4.21Å; A99-F127 HydrophobicContact CB-CB 4.21Å; A99-F127 HydrophobicContact CB-CD2 4.1Å; A99-F127 WeakPolarHBondContact O-CB 3.31Å
100Q97.4Very high97.3Very high73 Ų7335.7 Ų35.734%0.34117%0.174SC..Hα-helixtrans-62.7-37.4178.4-72.7171.1-6.900113.5R96 T97 F98 R103 F127R96-Q100 VanDerWaalsContact O-CG 3.3Å; R96-Q100 WeakPolarHBondContact O-CG 3.49Å; R96-Q100 PolarHBondContact O-N 3.4Å; R96-Q100 VanDerWaalsContact O-N 3.13Å; T97-Q100 PolarHBondContact O-N 3.25Å; F98-Q100 VanDerWaalsContact C-N 3.26Å; F98-Q100 PolarHBondContact O-N 3.45Å; Q100-R103 PolarHBondContact O-NE 3.07Å; Q100-F127 HydrophobicContact CG-CD1 4.4Å; Q100-F127 HydrophobicContact CG-CD2 3.78Å; Q100-F127 HydrophobicContact CG-CE1 4.12Å; Q100-F127 HydrophobicContact CG-CE2 3.47Å; Q100-F127 VanDerWaalsContact CG-CE2 3.47Å; Q100-F127 HydrophobicContact CG-CG 4.26Å; Q100-F127 HydrophobicContact CG-CZ 3.65Å
101N96.4Very high97.5Very high59 Ų5937.1 Ų37.132%0.31618%0.182SC..Hα-helixtrans-90.3-34.2-175.9-66.7-32.5000112.9S72 G76 T97 F98 A99S72-N101 WeakPolarHBondContact O-CB 3.35Å; S72-N101 PolarHBondContact OG-ND2 3.15Å; G76-N101 CarbonylContact C-O 3.59Å; G76-N101 VanDerWaalsContact C-O 3.31Å; G76-N101 WeakPolarHBondContact CA-O 3.47Å; T97-N101 PolarHBondContact O-N 3.07Å; T97-N101 PolarHBondContact O-ND2 3.2Å; F98-N101 PolarHBondContact O-N 3.16Å; F98-N101 VanDerWaalsContact O-N 3.12Å; A99-N101 VanDerWaalsContact C-N 3.33Å; A99-N101 PolarHBondContact O-N 3.26Å
102C95.8Very high97.4Very high0 Ų036.8 Ų36.80%018%0.179CC..  trans-105.251.4-171.1-61.80000112.9S72 L79 F98 N104 I105S72-C102 VanDerWaalsContact CA-SG 3.59Å; L79-C102 HydrophobicContact CD2-CB 4.47Å; F98-C102 HydrophobicContact CD2-CB 4.11Å; F98-C102 HydrophobicContact CE1-CB 4.41Å; F98-C102 HydrophobicContact CE2-CB 3.74Å; F98-C102 HydrophobicContact CZ-CB 3.91Å; F98-C102 WeakPolarHBondContact O-CB 3.32Å; F98-C102 PolarHBondContact O-N 3.33Å; C102-N104 PolarHBondContact O-N 2.8Å; C102-I105 WeakPolarHBondContact O-CB 3.3Å; C102-I105 WeakPolarHBondContact O-CG2 3.3Å; C102-I105 PolarHBondContact O-N 3.39Å; C102-I105 VanDerWaalsContact O-N 3.1Å
103R96.9Very high97.3Very high151 Ų15135.5 Ų35.557%0.5717%0.172SC*.THydrogen-bonded Turntrans-65.1-12.5-173.3-55.2-176.1-168.6177.50.6115.6Q100 F127Q100-R103 PolarHBondContact O-NE 3.07Å; R103-F127 WeakPolarHBondContact CA-O 3.48Å; R103-F127 WeakPolarHBondContact CB-O 3.26Å; R103-F127 WeakPolarHBondContact CG-O 3.27Å
104N96.8Very high97.1Very high39 Ų3933 Ų3321%0.20916%0.161CC..THydrogen-bonded Turntrans-97.59.1178.9-73-32.6000113.2G77 L79 R80 C102 E106 K130G77-N104 WeakPolarHBondContact O-CB 3.49Å; G77-N104 PolarHBondContact O-ND2 3.24Å; L79-N104 CarbonylContact O-C 3.33Å; R80-N104 WeakPolarHBondContact CD-O 3.13Å; R80-N104 PolarHBondContact NH1-O 3.18Å; C102-N104 PolarHBondContact O-N 2.8Å; N104-E106 PolarHBondContact O-N 3.49Å; N104-K130 PolarHBondContact OD1-NZ 3.38Å
105I97.9Very high97Very high0 Ų039 Ų390%019%0.187CC..  trans-60.4134.1177.4-165.473.8000110.6L79 R80 L82 F98 C102 L108 C128 K130 L131L79-I105 HydrophobicContact CD2-CD1 4.43Å; L79-I105 HydrophobicContact CG-CD1 4.03Å; R80-I105 WeakPolarHBondContact O-CD1 3.31Å; L82-I105 HydrophobicContact CB-CD1 4.13Å; F98-I105 HydrophobicContact CE1-CG1 4.49Å; F98-I105 HydrophobicContact CZ-CB 4.43Å; F98-I105 HydrophobicContact CZ-CD1 3.95Å; F98-I105 HydrophobicContact CZ-CG1 4.03Å; C102-I105 WeakPolarHBondContact O-CB 3.3Å; C102-I105 WeakPolarHBondContact O-CG2 3.3Å; C102-I105 PolarHBondContact O-N 3.39Å; C102-I105 VanDerWaalsContact O-N 3.1Å; I105-L108 HydrophobicContact CG1-CB 4.39Å; I105-C128 HydrophobicContact CG2-CB 3.72Å; I105-K130 CarbonylContact O-C 3.59Å; I105-L131 HydrophobicContact CG1-CD1 4.46Å; I105-L131 HydrophobicContact CG2-CD1 4.15Å; I105-L131 PolarHBondContact O-N 3.5Å
106E98.4Very high96.9Very high54 Ų5439 Ų3925%0.25219%0.187SC..  trans-116.3-33.1-179-70.7167.3-15700111.2R80 N104 R132 H133R80-E106 IonicContact CZ-OE1 3.59Å; R80-E106 IonicContact NE-OE1 3.88Å; R80-E106 IonicContact NH1-OE1 2.72Å; R80-E106 PolarHBondContact NH1-OE1 3.42Å; R80-E106 PolarHBondContact O-N 2.96Å; N104-E106 PolarHBondContact O-N 3.49Å; E106-R132 WeakPolarHBondContact O-CA 3.41Å; E106-R132 PolarHBondContact O-N 3.12Å; E106-H133 PolarHBondContact O-N 3.27Å
107V98.7Very high96.9Very high34 Ų3436.4 Ų36.421%0.20618%0.182CC..EExtended strand (participates in β ladder)trans-127.9122179.3-177.70000109.3R80 K81 L82 H133R80-V107 PolarHBondContact O-N 3.49Å; K81-V107 VanDerWaalsContact CA-O 3.3Å; K81-V107 WeakPolarHBondContact CA-O 3.3Å; K81-V107 HydrophobicContact CB-CB 3.97Å; K81-V107 HydrophobicContact CD-CB 4.08Å; K81-V107 HydrophobicContact CD-CG2 3.79Å; K81-V107 HydrophobicContact CG-CB 3.78Å; K81-V107 HydrophobicContact CG-CG2 3.81Å; L82-V107 PolarHBondContact N-O 2.82Å; V107-H133 WeakPolarHBondContact CA-O 3.4Å; V107-H133 HydrophobicContact CB-CB 4.25Å; V107-H133 HydrophobicContact CG1-CB 3.99Å; V107-H133 HydrophobicContact CG2-CB 4.02Å
108L98.6Very high97Very high1 Ų136 Ų361%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-130.6119.5175.9-17562.6000109.8L82 F98 I105 L110 L124 L131 H133 L134 D135L82-L108 HydrophobicContact CB-CD1 3.98Å; L82-L108 HydrophobicContact CD2-CD1 4.1Å; L82-L108 HydrophobicContact CG-CD1 4.21Å; L82-L108 WeakPolarHBondContact O-CA 3.41Å; F98-L108 HydrophobicContact CE1-CD1 3.98Å; F98-L108 HydrophobicContact CE1-CD2 4.13Å; F98-L108 HydrophobicContact CZ-CD1 4.04Å; I105-L108 HydrophobicContact CG1-CB 4.39Å; L108-L110 HydrophobicContact CD1-CD2 3.96Å; L108-L110 HydrophobicContact CD1-CG 4.42Å; L108-L110 HydrophobicContact CD2-CD1 3.93Å; L108-L110 HydrophobicContact CD2-CD2 4.27Å; L108-L110 HydrophobicContact CD2-CG 4.12Å; L108-L110 HydrophobicContact CG-CD1 4.26Å; L108-L110 HydrophobicContact CG-CD2 3.98Å; L108-L110 HydrophobicContact CG-CG 3.9Å; L108-L124 HydrophobicContact CD2-CD1 3.88Å; L108-L124 HydrophobicContact CD2-CD2 3.71Å; L108-L124 HydrophobicContact CD2-CG 4.46Å; L108-L131 HydrophobicContact CB-CD1 3.93Å; L108-H133 PolarHBondContact N-O 2.84Å; L108-L134 HydrophobicContact CB-CD1 4.09Å; L108-L134 HydrophobicContact CD2-CD1 4.19Å; L108-L134 HydrophobicContact CG-CD1 4.29Å; L108-L134 WeakPolarHBondContact O-CA 3.49Å; L108-D135 PolarHBondContact O-N 3.43Å
109N98.4Very high97Very high35 Ų3537.5 Ų37.519%0.18719%0.191CC..EExtended strand (participates in β ladder)trans-108.5114.8173.9-171.7-25.4000109.9L82 L84 N111 D135L82-N109 PolarHBondContact O-N 2.91Å; L84-N109 PolarHBondContact N-O 3.45Å; N109-N111 WeakPolarHBondContact OD1-CB 3.28Å; N109-N111 PolarHBondContact OD1-N 3.44Å; N109-D135 HydrophobicContact CB-CB 4.22Å; N109-D135 PolarHBondContact ND2-OD2 3.32Å
110L97.8Very high97.1Very high0 Ų037.5 Ų37.50%019%0.191CC..  trans-118.117.9177.5-54.5177.4000111.4L84 L95 L108 G112 C113 I116 T120 D135 L136 C139L84-L110 HydrophobicContact CB-CD2 4.16Å; L84-L110 HydrophobicContact CD1-CD2 3.86Å; L84-L110 HydrophobicContact CG-CD2 4.39Å; L95-L110 HydrophobicContact CD1-CD1 3.69Å; L95-L110 HydrophobicContact CD1-CD2 3.94Å; L95-L110 HydrophobicContact CD1-CG 4.46Å; L95-L110 HydrophobicContact CD2-CD2 4Å; L108-L110 HydrophobicContact CD1-CD2 3.96Å; L108-L110 HydrophobicContact CD1-CG 4.42Å; L108-L110 HydrophobicContact CD2-CD1 3.93Å; L108-L110 HydrophobicContact CD2-CD2 4.27Å; L108-L110 HydrophobicContact CD2-CG 4.12Å; L108-L110 HydrophobicContact CG-CD1 4.26Å; L108-L110 HydrophobicContact CG-CD2 3.98Å; L108-L110 HydrophobicContact CG-CG 3.9Å; L110-G112 PolarHBondContact O-N 3.12Å; L110-C113 HydrophobicContact CB-CB 4.3Å; L110-C113 WeakPolarHBondContact O-CB 3.1Å; L110-C113 PolarHBondContact O-N 3.32Å; L110-C113 PolarHBondContact O-SG 2.81Å; L110-C113 VanDerWaalsContact O-SG 3.4Å; L110-I116 HydrophobicContact CB-CD1 3.94Å; L110-I116 HydrophobicContact CD1-CD1 3.81Å; L110-T120 HydrophobicContact CD1-CG2 4.04Å; L110-D135 CarbonylContact C-O 3.55Å; L110-D135 WeakPolarHBondContact CA-O 3.46Å; L110-D135 PolarHBondContact N-O 3.19Å; L110-L136 HydrophobicContact CB-CD2 4.25Å; L110-L136 HydrophobicContact CD1-CD2 3.9Å; L110-C139 PolarHBondContact O-SG 2.94Å
111N97.4Very high97.1Very high30 Ų3034 Ų3416%0.1618%0.175CC..THydrogen-bonded Turntrans-52.4125.4-178.4177.9-29.6000110.7R85 G86 N109 C113 D135 A137R85-N111 CarbonylContact C-O 3.45Å; R85-N111 VanDerWaalsContact CA-O 3.31Å; R85-N111 WeakPolarHBondContact CA-O 3.47Å; R85-N111 HydrophobicContact CG-CB 4.08Å; G86-N111 PolarHBondContact N-O 2.91Å; N109-N111 WeakPolarHBondContact OD1-CB 3.28Å; N109-N111 PolarHBondContact OD1-N 3.44Å; N111-C113 VanDerWaalsContact C-N 3.28Å; N111-C113 PolarHBondContact O-N 2.82Å; N111-D135 PolarHBondContact N-O 3.08Å; N111-A137 CarbonylContact C-O 3.55Å; N111-A137 VanDerWaalsContact CA-O 3.27Å; N111-A137 WeakPolarHBondContact CA-O 3.4Å; N111-A137 HydrophobicContact CB-CB 4.37Å; N111-A137 PolarHBondContact OD1-O 3.39Å
112G94.8Very high97.2Very high11 Ų1134.8 Ų34.811%0.11318%0.182CC..THydrogen-bonded Turntrans758.3179.900000114.9L88 L110 T114 A137L88-G112 VanDerWaalsContact CD2-O 3.22Å; L88-G112 WeakPolarHBondContact CD2-O 3.41Å; L110-G112 PolarHBondContact O-N 3.12Å; G112-T114 VanDerWaalsContact C-N 3.26Å; G112-T114 PolarHBondContact O-N 3.03Å; G112-A137 PolarHBondContact N-O 3.32Å
113C94.8Very high97.4Very high0 Ų035 Ų350%018%0.184CC..  trans-75.575.1171.6-68.50000110.8L84 L110 N111 K115 I116L84-C113 PolarHBondContact O-SG 2.81Å; L110-C113 HydrophobicContact CB-CB 4.3Å; L110-C113 WeakPolarHBondContact O-CB 3.1Å; L110-C113 PolarHBondContact O-N 3.32Å; L110-C113 PolarHBondContact O-SG 2.81Å; L110-C113 VanDerWaalsContact O-SG 3.4Å; N111-C113 VanDerWaalsContact C-N 3.28Å; N111-C113 PolarHBondContact O-N 2.82Å; C113-K115 PolarHBondContact O-N 2.95Å; C113-I116 HydrophobicContact CB-CD1 4.35Å; C113-I116 HydrophobicContact CB-CG2 3.88Å; C113-I116 WeakPolarHBondContact O-CG1 3.27Å; C113-I116 PolarHBondContact O-N 2.91Å; C113-I116 VanDerWaalsContact O-N 3.16Å
114T92.9Very high97.4Very high66 Ų6627.9 Ų27.941%0.40516%0.157SC..THydrogen-bonded Turntrans-65.2-10.9-168.457.40000116.2L88 G112L88-T114 HydrophobicContact CD2-CG2 4.24Å; G112-T114 VanDerWaalsContact C-N 3.26Å; G112-T114 PolarHBondContact O-N 3.03Å
115K94.9Very high97.5Very high130 Ų13027.1 Ų27.157%0.56515%0.154SC*.BIsolated β-bridgetrans-91-0.2177.3-66.7-173.6-176.1174.90114.3L88 C113L88-K115 VanDerWaalsContact O-CD 3.27Å; L88-K115 WeakPolarHBondContact O-CD 3.4Å; L88-K115 VanDerWaalsContact O-CE 3.3Å; L88-K115 WeakPolarHBondContact O-CE 3.23Å; C113-K115 PolarHBondContact O-N 2.95Å
116I96.6Very high97.5Very high0 Ų034.6 Ų34.60%019%0.187CC..  trans-86148.1177.378.7-179.4000110.4D92 L95 L110 C113 L136 C139 S141 I142D92-I116 WeakPolarHBondContact OD1-CA 3.42Å; L95-I116 HydrophobicContact CD1-CB 4.45Å; L95-I116 HydrophobicContact CD1-CG2 3.57Å; L110-I116 HydrophobicContact CB-CD1 3.94Å; L110-I116 HydrophobicContact CD1-CD1 3.81Å; C113-I116 HydrophobicContact CB-CD1 4.35Å; C113-I116 HydrophobicContact CB-CG2 3.88Å; C113-I116 WeakPolarHBondContact O-CG1 3.27Å; C113-I116 PolarHBondContact O-N 2.91Å; C113-I116 VanDerWaalsContact O-N 3.16Å; I116-L136 HydrophobicContact CD1-CD2 3.73Å; I116-C139 HydrophobicContact CD1-CB 3.96Å; I116-C139 WeakPolarHBondContact CD1-SG 3.32Å; I116-C139 HydrophobicContact CG1-CB 3.99Å; I116-S141 WeakPolarHBondContact O-CB 3.42Å; I116-I142 HydrophobicContact CG1-CD1 4.38Å
117T98.3Very high97.5Very high49 Ų4934.1 Ų34.130%0.30118%0.184SC..  trans-131.2-173.8178.4730000110.7D92 A119 T120D92-T117 PolarHBondContact OD1-N 2.89Å; D92-T117 WeakPolarHBondContact OD2-CB 3.38Å; D92-T117 PolarHBondContact OD2-N 3.28Å; D92-T117 PolarHBondContact OD2-OG1 2.85Å; T117-A119 PolarHBondContact O-N 3.47Å; T117-A119 PolarHBondContact OG1-N 2.77Å; T117-T120 WeakPolarHBondContact O-CB 3.17Å; T117-T120 PolarHBondContact O-N 3.43Å
118D98.6Very high97.5Very high25 Ų2532.5 Ų32.513%0.13417%0.174CC..Hα-helixtrans-54.2-22.3173.2-58.7-42.6000113.9T120 C121 T122 T143 L145 S146D118-T120 VanDerWaalsContact C-N 3.27Å; D118-T120 PolarHBondContact O-N 2.78Å; D118-C121 PolarHBondContact O-N 2.96Å; D118-T122 WeakPolarHBondContact O-CB 3.37Å; D118-T122 PolarHBondContact O-N 2.94Å; D118-T122 PolarHBondContact O-OG1 3.24Å; D118-T143 VanDerWaalsContact CG-OG1 3.29Å; D118-T143 PolarHBondContact OD1-N 3.43Å; D118-T143 PolarHBondContact OD1-OG1 3.26Å; D118-T143 WeakPolarHBondContact OD2-CG2 3.5Å; D118-T143 PolarHBondContact OD2-OG1 3.07Å; D118-L145 HydrophobicContact CB-CB 4.13Å; D118-S146 VanDerWaalsContact CA-OG 3.32Å; D118-S146 WeakPolarHBondContact CA-OG 3.33Å; D118-S146 VanDerWaalsContact OD1-CB 3.29Å; D118-S146 WeakPolarHBondContact OD1-CB 3.4Å; D118-S146 PolarHBondContact OD1-N 2.91Å; D118-S146 PolarHBondContact OD1-OG 2.72Å
119A98.6Very high97.4Very high31 Ų3135.5 Ų35.526%0.25620%0.196SC..Hα-helixtrans-62.9-32.7174.700000112.8D92 T117 S123D92-A119 HydrophobicContact CB-CB 4.13Å; T117-A119 PolarHBondContact O-N 3.47Å; T117-A119 PolarHBondContact OG1-N 2.77Å; A119-S123 PolarHBondContact O-N 2.82Å; A119-S123 PolarHBondContact O-OG 3.4Å
120T98.5Very high97.4Very high0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-65-51.5172.6-76.50000110.5D92 L95 L110 T117 D118 T122 S123 L124D92-T120 WeakPolarHBondContact OD1-CB 3.44Å; D92-T120 PolarHBondContact OD1-N 2.9Å; D92-T120 PolarHBondContact OD1-OG1 3.34Å; L95-T120 HydrophobicContact CB-CG2 4.04Å; L95-T120 HydrophobicContact CD1-CG2 3.5Å; L95-T120 VanDerWaalsContact CD1-CG2 3.5Å; L95-T120 HydrophobicContact CG-CG2 4.4Å; L110-T120 HydrophobicContact CD1-CG2 4.04Å; T117-T120 WeakPolarHBondContact O-CB 3.17Å; T117-T120 PolarHBondContact O-N 3.43Å; D118-T120 VanDerWaalsContact C-N 3.27Å; D118-T120 PolarHBondContact O-N 2.78Å; T120-T122 VanDerWaalsContact C-N 3.29Å; T120-T122 PolarHBondContact O-N 2.86Å; T120-S123 CarbonylContact O-C 3.51Å; T120-S123 WeakPolarHBondContact O-CA 3.22Å; T120-S123 WeakPolarHBondContact O-CB 3.49Å; T120-S123 PolarHBondContact O-N 3.32Å; T120-L124 HydrophobicContact CG2-CD1 4.08Å; T120-L124 HydrophobicContact CG2-CG 4.36Å; T120-L124 WeakPolarHBondContact O-CG 3.41Å; T120-L124 PolarHBondContact O-N 3.28Å
121C98.6Very high97.5Very high0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-62.2-36.2179.2-68.10000112.4D118 S123 L124 S125 S146 L150D118-C121 PolarHBondContact O-N 2.96Å; C121-S123 VanDerWaalsContact C-N 3.29Å; C121-S123 PolarHBondContact O-N 3.21Å; C121-L124 PolarHBondContact O-N 3.01Å; C121-S125 WeakPolarHBondContact O-CB 3.22Å; C121-S125 PolarHBondContact O-N 3.34Å; C121-S125 PolarHBondContact O-OG 3.43Å; C121-S146 WeakPolarHBondContact CB-OG 3.33Å; C121-S146 VanDerWaalsContact SG-CB 3.57Å; C121-S146 PolarHBondContact SG-OG 3.05Å; C121-L150 HydrophobicContact CB-CD2 4.43Å; C121-L150 HydrophobicContact CB-CG 4.27Å
122T98.7Very high97.5Very high75 Ų7541 Ų4146%0.4621%0.214SC..Hα-helixtrans-63.1-35.1171.8-55.70000112.2D118 T120 S125 K126D118-T122 WeakPolarHBondContact O-CB 3.37Å; D118-T122 PolarHBondContact O-N 2.94Å; D118-T122 PolarHBondContact O-OG1 3.24Å; T120-T122 VanDerWaalsContact C-N 3.29Å; T120-T122 PolarHBondContact O-N 2.86Å; T122-S125 PolarHBondContact O-OG 2.95Å; T122-K126 PolarHBondContact O-N 2.57Å
123S98.7Very high97.7Very high5 Ų542.9 Ų42.94%0.03522%0.219CC..Hα-helixtrans-73.9-41.6175.8-59.10000111.2A119 T120 C121 K126 F127A119-S123 PolarHBondContact O-N 2.82Å; A119-S123 PolarHBondContact O-OG 3.4Å; T120-S123 CarbonylContact O-C 3.51Å; T120-S123 WeakPolarHBondContact O-CA 3.22Å; T120-S123 WeakPolarHBondContact O-CB 3.49Å; T120-S123 PolarHBondContact O-N 3.32Å; C121-S123 VanDerWaalsContact C-N 3.29Å; C121-S123 PolarHBondContact O-N 3.21Å; S123-K126 PolarHBondContact O-N 3.18Å; S123-F127 WeakPolarHBondContact O-CD2 3.45Å; S123-F127 PolarHBondContact O-N 3.36Å
124L98.6Very high97.9Very high0 Ų043 Ų430%022%0.22CC..Hα-helixtrans-61.6-45.8175.4-66.2176000111.3A99 L108 T120 C121 K126 F127 C128 L134A99-L124 HydrophobicContact CB-CD2 4.21Å; L108-L124 HydrophobicContact CD2-CD1 3.88Å; L108-L124 HydrophobicContact CD2-CD2 3.71Å; L108-L124 HydrophobicContact CD2-CG 4.46Å; T120-L124 HydrophobicContact CG2-CD1 4.08Å; T120-L124 HydrophobicContact CG2-CG 4.36Å; T120-L124 WeakPolarHBondContact O-CG 3.41Å; T120-L124 PolarHBondContact O-N 3.28Å; C121-L124 PolarHBondContact O-N 3.01Å; L124-K126 PolarHBondContact O-N 3.16Å; L124-F127 PolarHBondContact O-N 3.39Å; L124-C128 HydrophobicContact CD2-CB 4.31Å; L124-C128 WeakPolarHBondContact O-CA 3.49Å; L124-C128 VanDerWaalsContact O-CB 3.28Å; L124-C128 WeakPolarHBondContact O-CB 3.48Å; L124-C128 PolarHBondContact O-N 2.95Å; L124-L134 HydrophobicContact CD1-CD1 4.22Å; L124-L134 HydrophobicContact CD1-CD2 4.33Å
125S98.3Very high98.2Very high23 Ų2341.3 Ų41.316%0.16121%0.208CC..Hα-helixtrans-59.2-36.6178.670.30000112.7C121 T122 A149 G153C121-S125 WeakPolarHBondContact O-CB 3.22Å; C121-S125 PolarHBondContact O-N 3.34Å; C121-S125 PolarHBondContact O-OG 3.43Å; T122-S125 PolarHBondContact O-OG 2.95Å; S125-A149 WeakPolarHBondContact CB-O 3.41Å; S125-G153 VanDerWaalsContact O-CA 3.31Å; S125-G153 WeakPolarHBondContact O-CA 3.31Å
126K98.5Very high98.4Very high157 Ų15735.1 Ų35.168%0.68318%0.182SC*.Hα-helixtrans-73.9-33.2-179-172.6168.6-179.4170.10114T122 S123 L124T122-K126 PolarHBondContact O-N 2.57Å; S123-K126 PolarHBondContact O-N 3.18Å; L124-K126 PolarHBondContact O-N 3.16Å
127F98.4Very high98.5Very high44 Ų4435.3 Ų35.319%0.19318%0.183CC..Hα-helixtrans-121.6-19.3-167.3-56.8-65.8000115A99 Q100 R103 S123 L124A99-F127 HydrophobicContact CB-CB 4.21Å; A99-F127 HydrophobicContact CB-CD2 4.1Å; A99-F127 WeakPolarHBondContact O-CB 3.31Å; Q100-F127 HydrophobicContact CG-CD1 4.4Å; Q100-F127 HydrophobicContact CG-CD2 3.78Å; Q100-F127 HydrophobicContact CG-CE1 4.12Å; Q100-F127 HydrophobicContact CG-CE2 3.47Å; Q100-F127 VanDerWaalsContact CG-CE2 3.47Å; Q100-F127 HydrophobicContact CG-CG 4.26Å; Q100-F127 HydrophobicContact CG-CZ 3.65Å; R103-F127 WeakPolarHBondContact CA-O 3.48Å; R103-F127 WeakPolarHBondContact CB-O 3.26Å; R103-F127 WeakPolarHBondContact CG-O 3.27Å; S123-F127 WeakPolarHBondContact O-CD2 3.45Å; S123-F127 PolarHBondContact O-N 3.36Å; L124-F127 PolarHBondContact O-N 3.39Å
128C97.8Very high98.4Very high0 Ų035 Ų350%018%0.183CC..  trans-116.851.9-167.8-58.10000112.7I105 L124 K130 L131I105-C128 HydrophobicContact CG2-CB 3.72Å; L124-C128 HydrophobicContact CD2-CB 4.31Å; L124-C128 WeakPolarHBondContact O-CA 3.49Å; L124-C128 VanDerWaalsContact O-CB 3.28Å; L124-C128 WeakPolarHBondContact O-CB 3.48Å; L124-C128 PolarHBondContact O-N 2.95Å; C128-K130 PolarHBondContact O-N 2.87Å; C128-L131 WeakPolarHBondContact O-CB 3.5Å; C128-L131 PolarHBondContact O-N 2.63Å; C128-L131 VanDerWaalsContact O-N 3.12Å
129S97.5Very high98.3Very high65 Ų6533.8 Ų33.846%0.45518%0.176SC..THydrogen-bonded Turntrans-67.3-6.5-176.159.90000115.9G153S129-G153 WeakPolarHBondContact CA-O 3.32Å
130K98.3Very high98.1Very high86 Ų8635.8 Ų35.837%0.37419%0.186SC..THydrogen-bonded Turntrans-93.43.3175.7-64.4-174.2-176.2171.40113.8N104 I105 C128 R132N104-K130 PolarHBondContact OD1-NZ 3.38Å; I105-K130 CarbonylContact O-C 3.59Å; C128-K130 PolarHBondContact O-N 2.87Å; K130-R132 PolarHBondContact O-N 2.85Å
131L98.6Very high98Very high0 Ų038 Ų380%020%0.201CC..  trans-63.8125.3-178.6-163.467.6000110.5I105 L108 C128 L134 L156 L157I105-L131 HydrophobicContact CG1-CD1 4.46Å; I105-L131 HydrophobicContact CG2-CD1 4.15Å; I105-L131 PolarHBondContact O-N 3.5Å; L108-L131 HydrophobicContact CB-CD1 3.93Å; C128-L131 WeakPolarHBondContact O-CB 3.5Å; C128-L131 PolarHBondContact O-N 2.63Å; C128-L131 VanDerWaalsContact O-N 3.12Å; L131-L134 HydrophobicContact CD2-CB 3.94Å; L131-L134 HydrophobicContact CD2-CD1 4.24Å; L131-L134 HydrophobicContact CD2-CD2 3.96Å; L131-L134 HydrophobicContact CD2-CG 4.26Å; L131-L156 CarbonylContact O-C 3.42Å; L131-L157 HydrophobicContact CD2-CD1 4.4Å; L131-L157 HydrophobicContact CG-CD1 4.27Å; L131-L157 PolarHBondContact O-N 3.5Å
132R98.7Very high98Very high95 Ų9538 Ų3836%0.35820%0.201SC..  trans-112.7-32.9179.5-68.7-176.8-178.4-114.60.2112.1E106 K130 E158 Q159E106-R132 WeakPolarHBondContact O-CA 3.41Å; E106-R132 PolarHBondContact O-N 3.12Å; K130-R132 PolarHBondContact O-N 2.85Å; R132-E158 IonicContact CZ-OE1 2.63Å; R132-E158 IonicContact NH1-OE1 2.67Å; R132-E158 PolarHBondContact NH1-OE1 2.81Å; R132-E158 WeakPolarHBondContact O-CA 3.38Å; R132-E158 PolarHBondContact O-N 2.87Å; R132-Q159 PolarHBondContact O-N 3.3Å
133H98.8Very high98Very high49 Ų4935.7 Ų35.723%0.22719%0.187CC..EExtended strand (participates in β ladder)trans-131.2123.1-178.4-54-101.7000109.5E106 V107 L108 Q159E106-H133 PolarHBondContact O-N 3.27Å; V107-H133 WeakPolarHBondContact CA-O 3.4Å; V107-H133 HydrophobicContact CB-CB 4.25Å; V107-H133 HydrophobicContact CG1-CB 3.99Å; V107-H133 HydrophobicContact CG2-CB 4.02Å; L108-H133 PolarHBondContact N-O 2.84Å; H133-Q159 WeakPolarHBondContact CA-O 3.3Å; H133-Q159 HydrophobicContact CB-CB 4.39Å; H133-Q159 PolarHBondContact CE1-OE1 2.87Å; H133-Q159 WeakPolarHBondContact ND1-CB 3.44Å; H133-Q159 VanDerWaalsContact ND1-CG 3.32Å; H133-Q159 WeakPolarHBondContact ND1-CG 3.43Å; H133-Q159 PolarHBondContact ND1-OE1 3.13Å
134L98.8Very high98Very high4 Ų437.4 Ų37.42%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-130.7122.2176.8-178.957.2000109.8L108 L124 L131 L136 L150 L157 Q159 L160 N161L108-L134 HydrophobicContact CB-CD1 4.09Å; L108-L134 HydrophobicContact CD2-CD1 4.19Å; L108-L134 HydrophobicContact CG-CD1 4.29Å; L108-L134 WeakPolarHBondContact O-CA 3.49Å; L124-L134 HydrophobicContact CD1-CD1 4.22Å; L124-L134 HydrophobicContact CD1-CD2 4.33Å; L131-L134 HydrophobicContact CD2-CB 3.94Å; L131-L134 HydrophobicContact CD2-CD1 4.24Å; L131-L134 HydrophobicContact CD2-CD2 3.96Å; L131-L134 HydrophobicContact CD2-CG 4.26Å; L134-L136 HydrophobicContact CD1-CD2 4.16Å; L134-L136 HydrophobicContact CD1-CG 4.18Å; L134-L136 HydrophobicContact CD2-CD1 3.87Å; L134-L136 HydrophobicContact CD2-CG 4.14Å; L134-L136 HydrophobicContact CG-CD1 4.16Å; L134-L136 HydrophobicContact CG-CD2 4.4Å; L134-L136 HydrophobicContact CG-CG 3.9Å; L134-L150 HydrophobicContact CD2-CD1 3.69Å; L134-L150 HydrophobicContact CD2-CD2 3.68Å; L134-L150 HydrophobicContact CD2-CG 4.36Å; L134-L157 HydrophobicContact CB-CD1 4.03Å; L134-Q159 PolarHBondContact N-O 3.42Å; L134-L160 HydrophobicContact CB-CD1 3.99Å; L134-L160 HydrophobicContact CD2-CD1 4.08Å; L134-L160 HydrophobicContact CG-CD1 4.08Å; L134-L160 WeakPolarHBondContact O-CA 3.44Å; L134-N161 PolarHBondContact O-N 2.92Å
135D98.8Very high98Very high29 Ų2942.7 Ų42.716%0.15522%0.224CC..EExtended strand (participates in β ladder)trans-110.3114.1173-171.6-5.2000109.7L108 N109 L110 N111 A137 N161L108-D135 PolarHBondContact O-N 3.43Å; N109-D135 HydrophobicContact CB-CB 4.22Å; N109-D135 PolarHBondContact ND2-OD2 3.32Å; L110-D135 CarbonylContact C-O 3.55Å; L110-D135 WeakPolarHBondContact CA-O 3.46Å; L110-D135 PolarHBondContact N-O 3.19Å; N111-D135 PolarHBondContact N-O 3.08Å; D135-A137 VanDerWaalsContact OD1-CB 3.29Å; D135-A137 WeakPolarHBondContact OD1-CB 3.44Å; D135-A137 PolarHBondContact OD1-N 3.3Å; D135-N161 HydrophobicContact CB-CB 4.3Å; D135-N161 WeakPolarHBondContact OD1-CB 3.25Å; D135-N161 PolarHBondContact OD1-ND2 3Å
136L98.4Very high98Very high0 Ų041.6 Ų41.60%022%0.216CC..  trans-117.617177.5-64.4170.8000111.1L110 I116 L134 S138 C139 I142 L150 L160 N161 I162 C165L110-L136 HydrophobicContact CB-CD2 4.25Å; L110-L136 HydrophobicContact CD1-CD2 3.9Å; I116-L136 HydrophobicContact CD1-CD2 3.73Å; L134-L136 HydrophobicContact CD1-CD2 4.16Å; L134-L136 HydrophobicContact CD1-CG 4.18Å; L134-L136 HydrophobicContact CD2-CD1 3.87Å; L134-L136 HydrophobicContact CD2-CG 4.14Å; L134-L136 HydrophobicContact CG-CD1 4.16Å; L134-L136 HydrophobicContact CG-CD2 4.4Å; L134-L136 HydrophobicContact CG-CG 3.9Å; L136-S138 PolarHBondContact O-N 3.09Å; L136-C139 HydrophobicContact CB-CB 4.46Å; L136-C139 WeakPolarHBondContact O-CB 3.4Å; L136-C139 PolarHBondContact O-N 3.1Å; L136-C139 VanDerWaalsContact O-N 3.09Å; L136-C139 PolarHBondContact O-SG 3.07Å; L136-I142 HydrophobicContact CD1-CD1 4.45Å; L136-I142 HydrophobicContact CD1-CG2 4.44Å; L136-L150 HydrophobicContact CD1-CD1 4.41Å; L136-L160 HydrophobicContact CD1-CD1 4.43Å; L136-N161 CarbonylContact C-O 3.37Å; L136-N161 WeakPolarHBondContact CA-O 3.29Å; L136-N161 WeakPolarHBondContact CB-O 3.29Å; L136-N161 PolarHBondContact N-O 3.49Å; L136-I162 HydrophobicContact CB-CG2 4.23Å; L136-I162 HydrophobicContact CD1-CG2 4.22Å; L136-C165 PolarHBondContact O-SG 3.09Å; L136-C165 VanDerWaalsContact O-SG 3.39Å
137A98.4Very high98Very high4 Ų434.1 Ų34.13%0.03318%0.183CC..THydrogen-bonded Turntrans-55.2141.2-178.400000111.5N111 G112 D135 C139 N161 S163N111-A137 CarbonylContact C-O 3.55Å; N111-A137 VanDerWaalsContact CA-O 3.27Å; N111-A137 WeakPolarHBondContact CA-O 3.4Å; N111-A137 HydrophobicContact CB-CB 4.37Å; N111-A137 PolarHBondContact OD1-O 3.39Å; G112-A137 PolarHBondContact N-O 3.32Å; D135-A137 VanDerWaalsContact OD1-CB 3.29Å; D135-A137 WeakPolarHBondContact OD1-CB 3.44Å; D135-A137 PolarHBondContact OD1-N 3.3Å; A137-C139 PolarHBondContact O-N 3.23Å; A137-C139 VanDerWaalsContact O-N 3.13Å; A137-N161 PolarHBondContact N-O 2.78Å; A137-S163 CarbonylContact C-O 3.5Å; A137-S163 VanDerWaalsContact CA-O 3.22Å; A137-S163 WeakPolarHBondContact CA-O 3.06Å
138S97.2Very high98Very high42 Ų4237.2 Ų37.229%0.29420%0.197SC..THydrogen-bonded Turntrans58.620.3-177.8-550000114.9L136 T140 S163L136-S138 PolarHBondContact O-N 3.09Å; S138-T140 PolarHBondContact O-N 3.47Å; S138-S163 PolarHBondContact N-O 2.97Å
139C96.4Very high98Very high0 Ų037.6 Ų37.60%020%0.2CC..  trans-89.677.5168.5-60.10000109.4L110 I116 L136 A137 S141 I142 C165L110-C139 PolarHBondContact O-SG 2.94Å; I116-C139 HydrophobicContact CD1-CB 3.96Å; I116-C139 WeakPolarHBondContact CD1-SG 3.32Å; I116-C139 HydrophobicContact CG1-CB 3.99Å; L136-C139 HydrophobicContact CB-CB 4.46Å; L136-C139 WeakPolarHBondContact O-CB 3.4Å; L136-C139 PolarHBondContact O-N 3.1Å; L136-C139 VanDerWaalsContact O-N 3.09Å; L136-C139 PolarHBondContact O-SG 3.07Å; A137-C139 PolarHBondContact O-N 3.23Å; A137-C139 VanDerWaalsContact O-N 3.13Å; C139-S141 PolarHBondContact O-N 3.14Å; C139-I142 HydrophobicContact CB-CG1 3.61Å; C139-I142 VanDerWaalsContact O-CB 3.29Å; C139-I142 WeakPolarHBondContact O-CB 3.46Å; C139-I142 VanDerWaalsContact O-CG1 3.29Å; C139-I142 WeakPolarHBondContact O-CG1 3.37Å; C139-I142 PolarHBondContact O-N 2.96Å; C139-C165 PolarHBondContact O-SG 3.33Å
140T94.1Very high98.1Very high74 Ų7434.5 Ų34.545%0.45418%0.178SC..THydrogen-bonded Turntrans-63-13-167.854.50000115.8S138 Q167S138-T140 PolarHBondContact O-N 3.47Å; T140-Q167 PolarHBondContact O-NE2 2.8Å
141S96.8Very high98.1Very high47 Ų4731.3 Ų31.333%0.32917%0.167SC..THydrogen-bonded Turntrans-94.39176.4-610000113.8I116 C139I116-S141 WeakPolarHBondContact O-CB 3.42Å; C139-S141 PolarHBondContact O-N 3.14Å
142I97.9Very high98.1Very high0 Ų037.8 Ų37.80%020%0.197CC..  trans-83.7129.8173-66.3-64.3000109.7I116 L136 C139 S146I116-I142 HydrophobicContact CG1-CD1 4.38Å; L136-I142 HydrophobicContact CD1-CD1 4.45Å; L136-I142 HydrophobicContact CD1-CG2 4.44Å; C139-I142 HydrophobicContact CB-CG1 3.61Å; C139-I142 VanDerWaalsContact O-CB 3.29Å; C139-I142 WeakPolarHBondContact O-CB 3.46Å; C139-I142 VanDerWaalsContact O-CG1 3.29Å; C139-I142 WeakPolarHBondContact O-CG1 3.37Å; C139-I142 PolarHBondContact O-N 2.96Å; I142-S146 WeakPolarHBondContact CD1-OG 3.37Å
143T98.4Very high98Very high26 Ų2633.9 Ų33.916%0.1619%0.186CC..  trans-123.8-175.6-177.381.20000112.2D118 L145 S146 Q167D118-T143 VanDerWaalsContact CG-OG1 3.29Å; D118-T143 PolarHBondContact OD1-N 3.43Å; D118-T143 PolarHBondContact OD1-OG1 3.26Å; D118-T143 WeakPolarHBondContact OD2-CG2 3.5Å; D118-T143 PolarHBondContact OD2-OG1 3.07Å; T143-L145 PolarHBondContact O-N 2.64Å; T143-L145 VanDerWaalsContact O-N 3.12Å; T143-L145 PolarHBondContact OG1-N 2.91Å; T143-L145 VanDerWaalsContact OG1-N 3.12Å; T143-S146 WeakPolarHBondContact O-CB 3.48Å; T143-S146 PolarHBondContact O-N 3.26Å; T143-S146 VanDerWaalsContact O-N 3.1Å; T143-Q167 HydrophobicContact CG2-CB 4.16Å
144N98.6Very high98Very high40 Ų4031.5 Ų31.521%0.21418%0.175CC..Hα-helixtrans-53.2-28.2170.7-65.4-21.5000113.4L147 K148 V168 T169 G172N144-L147 PolarHBondContact O-N 2.79Å; N144-K148 PolarHBondContact O-N 3.21Å; N144-V168 WeakPolarHBondContact OD1-CA 3.35Å; N144-T169 PolarHBondContact ND2-OG1 3.2Å; N144-T169 PolarHBondContact OD1-N 2.88Å; N144-G172 VanDerWaalsContact OD1-CA 3.28Å; N144-G172 WeakPolarHBondContact OD1-CA 3.24Å; N144-G172 PolarHBondContact OD1-N 3.21Å
145L98.7Very high97.9Very high112 Ų11235 Ų3559%0.58620%0.198SC*.Hα-helixtrans-65.8-38.3178.4-63.9177.2000112D118 T143 K148 A149D118-L145 HydrophobicContact CB-CB 4.13Å; T143-L145 PolarHBondContact O-N 2.64Å; T143-L145 VanDerWaalsContact O-N 3.12Å; T143-L145 PolarHBondContact OG1-N 2.91Å; T143-L145 VanDerWaalsContact OG1-N 3.12Å; L145-K148 PolarHBondContact O-N 2.79Å; L145-A149 WeakPolarHBondContact O-CB 3.47Å; L145-A149 PolarHBondContact O-N 3.36Å
146S98.6Very high97.9Very high0 Ų037.5 Ų37.50%021%0.211CC..Hα-helixtrans-58.7-48.2172.5-79.80000111.8D118 C121 I142 T143 K148 A149 L150D118-S146 VanDerWaalsContact CA-OG 3.32Å; D118-S146 WeakPolarHBondContact CA-OG 3.33Å; D118-S146 VanDerWaalsContact OD1-CB 3.29Å; D118-S146 WeakPolarHBondContact OD1-CB 3.4Å; D118-S146 PolarHBondContact OD1-N 2.91Å; D118-S146 PolarHBondContact OD1-OG 2.72Å; C121-S146 WeakPolarHBondContact CB-OG 3.33Å; C121-S146 VanDerWaalsContact SG-CB 3.57Å; C121-S146 PolarHBondContact SG-OG 3.05Å; I142-S146 WeakPolarHBondContact CD1-OG 3.37Å; T143-S146 WeakPolarHBondContact O-CB 3.48Å; T143-S146 PolarHBondContact O-N 3.26Å; T143-S146 VanDerWaalsContact O-N 3.1Å; S146-K148 VanDerWaalsContact C-N 3.33Å; S146-K148 PolarHBondContact O-N 2.87Å; S146-A149 PolarHBondContact O-N 2.81Å; S146-L150 VanDerWaalsContact O-CG 3.29Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 2.91Å
147L98.6Very high97.9Very high0 Ų037.5 Ų37.50%021%0.211CC..Hα-helixtrans-64.6-38.8-178-67.4-163.4000112.2N144 L150 S151 L160 I162 V168 G172 I173 L176N144-L147 PolarHBondContact O-N 2.79Å; L147-L150 HydrophobicContact CD2-CD1 4.36Å; L147-L150 PolarHBondContact O-N 2.73Å; L147-S151 PolarHBondContact O-N 2.82Å; L147-L160 HydrophobicContact CD2-CD2 3.81Å; L147-I162 HydrophobicContact CD1-CD1 4.03Å; L147-I162 HydrophobicContact CD2-CD1 4.37Å; L147-I162 HydrophobicContact CD2-CG2 4.26Å; L147-V168 HydrophobicContact CD1-CG1 3.53Å; L147-V168 HydrophobicContact CD1-CG2 4.38Å; L147-G172 WeakPolarHBondContact CB-O 3.47Å; L147-G172 VanDerWaalsContact CD1-C 3.43Å; L147-G172 WeakPolarHBondContact CD1-O 3.48Å; L147-I173 HydrophobicContact CD1-CD1 4.02Å; L147-L176 HydrophobicContact CB-CB 4.21Å; L147-L176 HydrophobicContact CD1-CB 4.43Å; L147-L176 HydrophobicContact CD2-CD1 4.45Å; L147-L176 HydrophobicContact CD2-CD2 4.4Å
148K98.7Very high97.9Very high108 Ų10839 Ų3947%0.4722%0.217SC..Hα-helixtrans-62.4-46.8171.5-176.5179.6176.3-177.10112N144 L145 S146 L150 S151 E152 A175N144-K148 PolarHBondContact O-N 3.21Å; L145-K148 PolarHBondContact O-N 2.79Å; S146-K148 VanDerWaalsContact C-N 3.33Å; S146-K148 PolarHBondContact O-N 2.87Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 3.18Å; K148-S151 PolarHBondContact O-N 2.97Å; K148-S151 PolarHBondContact O-OG 2.78Å; K148-E152 WeakPolarHBondContact CE-OE1 3.44Å; K148-E152 WeakPolarHBondContact O-CG 3.31Å; K148-E152 PolarHBondContact O-N 3.27Å; K148-A175 HydrophobicContact CB-CB 4.02Å; K148-A175 HydrophobicContact CG-CB 4.41Å
149A98.7Very high98Very high8 Ų840.6 Ų40.67%0.06622%0.22CC..Hα-helixtrans-60.5-44.3178.100000111.5S125 L145 S146 S151 E152 G153S125-A149 WeakPolarHBondContact CB-O 3.41Å; L145-A149 WeakPolarHBondContact O-CB 3.47Å; L145-A149 PolarHBondContact O-N 3.36Å; S146-A149 PolarHBondContact O-N 2.81Å; A149-S151 VanDerWaalsContact C-N 3.32Å; A149-S151 PolarHBondContact O-N 3.47Å; A149-E152 PolarHBondContact O-N 3.44Å; A149-G153 PolarHBondContact O-N 2.85Å
150L98.6Very high98.1Very high0 Ų040.6 Ų40.60%022%0.22CC..Hα-helixtrans-61.6-39.9177.8-69172.1000111.9C121 L134 L136 S146 L147 K148 E152 G153 C154 L160 L176C121-L150 HydrophobicContact CB-CD2 4.43Å; C121-L150 HydrophobicContact CB-CG 4.27Å; L134-L150 HydrophobicContact CD2-CD1 3.69Å; L134-L150 HydrophobicContact CD2-CD2 3.68Å; L134-L150 HydrophobicContact CD2-CG 4.36Å; L136-L150 HydrophobicContact CD1-CD1 4.41Å; S146-L150 VanDerWaalsContact O-CG 3.29Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 2.91Å; L147-L150 HydrophobicContact CD2-CD1 4.36Å; L147-L150 PolarHBondContact O-N 2.73Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 3.18Å; L150-E152 VanDerWaalsContact C-N 3.29Å; L150-E152 PolarHBondContact O-N 2.95Å; L150-G153 PolarHBondContact O-N 2.94Å; L150-C154 WeakPolarHBondContact O-CA 3.29Å; L150-C154 VanDerWaalsContact O-CB 3.31Å; L150-C154 WeakPolarHBondContact O-CB 3.22Å; L150-C154 PolarHBondContact O-N 3.38Å; L150-L160 HydrophobicContact CD1-CD1 4.34Å; L150-L176 HydrophobicContact CB-CD1 4.47Å
151S98.1Very high98.3Very high19 Ų1938.4 Ų38.413%0.13321%0.206CC..Hα-helixtrans-66-31.3178.980.40000113.5L147 K148 A149 A175 L176 G179L147-S151 PolarHBondContact O-N 2.82Å; K148-S151 PolarHBondContact O-N 2.97Å; K148-S151 PolarHBondContact O-OG 2.78Å; A149-S151 VanDerWaalsContact C-N 3.32Å; A149-S151 PolarHBondContact O-N 3.47Å; S151-A175 WeakPolarHBondContact CB-O 3.35Å; S151-A175 PolarHBondContact OG-O 2.57Å; S151-L176 WeakPolarHBondContact CB-O 3.3Å; S151-G179 WeakPolarHBondContact O-CA 3.4Å
152E98Very high98.4Very high137 Ų13736.2 Ų36.264%0.6419%0.19SC*.Hα-helixtrans-77.4-28.8178-68.7171.3-179.300113.1K148 A149 L150K148-E152 WeakPolarHBondContact CE-OE1 3.44Å; K148-E152 WeakPolarHBondContact O-CG 3.31Å; K148-E152 PolarHBondContact O-N 3.27Å; A149-E152 PolarHBondContact O-N 3.44Å; L150-E152 VanDerWaalsContact C-N 3.29Å; L150-E152 PolarHBondContact O-N 2.95Å
153G97.6Very high98.4Very high12 Ų1236.6 Ų36.612%0.12419%0.193CC..Hα-helixtrans-119.6-14.5-170.100000116.9S125 S129 A149 L150 P155S125-G153 VanDerWaalsContact O-CA 3.31Å; S125-G153 WeakPolarHBondContact O-CA 3.31Å; S129-G153 WeakPolarHBondContact CA-O 3.32Å; A149-G153 PolarHBondContact O-N 2.85Å; L150-G153 PolarHBondContact O-N 2.94Å; G153-P155 VanDerWaalsContact C-CD 3.41Å; G153-P155 WeakPolarHBondContact O-CD 3.5Å
154C98.1Very high98.4Very high0 Ų040.3 Ų40.30%020%0.204CC..  trans-123.163.7-174.8-57.80000112L150 L156 L157 C180L150-C154 WeakPolarHBondContact O-CA 3.29Å; L150-C154 VanDerWaalsContact O-CB 3.31Å; L150-C154 WeakPolarHBondContact O-CB 3.22Å; L150-C154 PolarHBondContact O-N 3.38Å; C154-L156 PolarHBondContact O-N 3.01Å; C154-L157 WeakPolarHBondContact O-CB 3.41Å; C154-L157 PolarHBondContact O-N 3.3Å; C154-C180 PolarHBondContact O-SG 2.94Å
155P97.1Very high98.3Very high76 Ų7638.4 Ų38.449%0.49419%0.194SC..THydrogen-bonded Turntrans-69.2-16.4-175.329.7-36.9000113.8G153 L157G153-P155 VanDerWaalsContact C-CD 3.41Å; G153-P155 WeakPolarHBondContact O-CD 3.5Å; P155-L157 VanDerWaalsContact C-N 3.32Å
156L98.3Very high98.1Very high83 Ų8336.2 Ų36.244%0.43518%0.183SC..THydrogen-bonded Turntrans-91.19.5179.4-60.5-177.6000113.3L131 C154 E158L131-L156 CarbonylContact O-C 3.42Å; C154-L156 PolarHBondContact O-N 3.01Å; L156-E158 PolarHBondContact O-N 3.38Å
157L98.6Very high97.9Very high0 Ų041 Ų410%021%0.205CC..  trans-66.4118.4-177.9-162.169.7000110.4L131 L134 C154 P155 L160 L176 C180 L183L131-L157 HydrophobicContact CD2-CD1 4.4Å; L131-L157 HydrophobicContact CG-CD1 4.27Å; L131-L157 PolarHBondContact O-N 3.5Å; L134-L157 HydrophobicContact CB-CD1 4.03Å; C154-L157 WeakPolarHBondContact O-CB 3.41Å; C154-L157 PolarHBondContact O-N 3.3Å; P155-L157 VanDerWaalsContact C-N 3.32Å; L157-L160 HydrophobicContact CD2-CB 4.03Å; L157-L160 HydrophobicContact CD2-CD1 4.32Å; L157-L160 HydrophobicContact CD2-CD2 4.43Å; L157-L160 HydrophobicContact CD2-CG 4.49Å; L157-L176 HydrophobicContact CD2-CD1 4.49Å; L157-C180 HydrophobicContact CB-CB 4.37Å; L157-L183 HydrophobicContact CD2-CD2 4.34Å; L157-L183 HydrophobicContact CG-CD2 4.19Å
158E98.7Very high97.9Very high35 Ų3541 Ų4116%0.16421%0.205CC..  trans-104.5-29179.1-64.2-175.1-159.200111.6R132 L156 K184 A185R132-E158 IonicContact CZ-OE1 2.63Å; R132-E158 IonicContact NH1-OE1 2.67Å; R132-E158 PolarHBondContact NH1-OE1 2.81Å; R132-E158 WeakPolarHBondContact O-CA 3.38Å; R132-E158 PolarHBondContact O-N 2.87Å; L156-E158 PolarHBondContact O-N 3.38Å; E158-K184 HydrophobicContact CB-CD 4.4Å; E158-K184 WeakPolarHBondContact O-CA 3.45Å; E158-K184 PolarHBondContact O-N 3.13Å; E158-K184 IonicContact OE1-NZ 2.57Å; E158-K184 WeakPolarHBondContact OE2-CE 3.29Å; E158-K184 IonicContact OE2-NZ 3.53Å; E158-K184 PolarHBondContact OE2-NZ 2.76Å; E158-A185 PolarHBondContact O-N 2.86Å
159Q98.9Very high97.8Very high76 Ų7637.2 Ų37.236%0.35519%0.191SC..EExtended strand (participates in β ladder)trans-136.4128.4179.5-56.5-169.2-17.700111.3R132 H133 L134 A185R132-Q159 PolarHBondContact O-N 3.3Å; H133-Q159 WeakPolarHBondContact CA-O 3.3Å; H133-Q159 HydrophobicContact CB-CB 4.39Å; H133-Q159 PolarHBondContact CE1-OE1 2.87Å; H133-Q159 WeakPolarHBondContact ND1-CB 3.44Å; H133-Q159 VanDerWaalsContact ND1-CG 3.32Å; H133-Q159 WeakPolarHBondContact ND1-CG 3.43Å; H133-Q159 PolarHBondContact ND1-OE1 3.13Å; L134-Q159 PolarHBondContact N-O 3.42Å; Q159-A185 VanDerWaalsContact CA-O 3.31Å; Q159-A185 WeakPolarHBondContact CA-O 3.48Å; Q159-A185 HydrophobicContact CB-CB 4.19Å; Q159-A185 HydrophobicContact CG-CB 3.71Å
160L98.9Very high97.8Very high0 Ų040.2 Ų40.20%020%0.203CC..EExtended strand (participates in β ladder)trans-130.1128.4173.2-178.464.7000110L134 L136 L147 L150 L157 I162 L176 L183 A185 L186 F187L134-L160 HydrophobicContact CB-CD1 3.99Å; L134-L160 HydrophobicContact CD2-CD1 4.08Å; L134-L160 HydrophobicContact CG-CD1 4.08Å; L134-L160 WeakPolarHBondContact O-CA 3.44Å; L136-L160 HydrophobicContact CD1-CD1 4.43Å; L147-L160 HydrophobicContact CD2-CD2 3.81Å; L150-L160 HydrophobicContact CD1-CD1 4.34Å; L157-L160 HydrophobicContact CD2-CB 4.03Å; L157-L160 HydrophobicContact CD2-CD1 4.32Å; L157-L160 HydrophobicContact CD2-CD2 4.43Å; L157-L160 HydrophobicContact CD2-CG 4.49Å; L160-I162 HydrophobicContact CD1-CG2 4.01Å; L160-I162 HydrophobicContact CD2-CG2 4.09Å; L160-I162 HydrophobicContact CG-CG2 3.96Å; L160-L176 HydrophobicContact CD2-CD1 3.95Å; L160-L176 HydrophobicContact CD2-CD2 3.41Å; L160-L176 VanDerWaalsContact CD2-CD2 3.41Å; L160-L176 HydrophobicContact CD2-CG 4.33Å; L160-L183 HydrophobicContact CB-CD2 4.23Å; L160-A185 PolarHBondContact N-O 2.75Å; L160-L186 HydrophobicContact CB-CD1 3.98Å; L160-L186 HydrophobicContact CD2-CD1 4.24Å; L160-L186 HydrophobicContact CG-CD1 4.36Å; L160-L186 WeakPolarHBondContact O-CA 2.92Å; L160-F187 PolarHBondContact O-N 2.81Å
161N98.9Very high97.8Very high28 Ų2844.4 Ų44.415%0.1523%0.225CC..EExtended strand (participates in β ladder)trans-115117.3169.3-175.40.7000109.5L134 D135 L136 A137 S163 F187L134-N161 PolarHBondContact O-N 2.92Å; D135-N161 HydrophobicContact CB-CB 4.3Å; D135-N161 WeakPolarHBondContact OD1-CB 3.25Å; D135-N161 PolarHBondContact OD1-ND2 3Å; L136-N161 CarbonylContact C-O 3.37Å; L136-N161 WeakPolarHBondContact CA-O 3.29Å; L136-N161 WeakPolarHBondContact CB-O 3.29Å; L136-N161 PolarHBondContact N-O 3.49Å; A137-N161 PolarHBondContact N-O 2.78Å; N161-S163 VanDerWaalsContact OD1-CB 3.27Å; N161-S163 WeakPolarHBondContact OD1-CB 3.32Å; N161-S163 PolarHBondContact OD1-N 2.9Å; N161-S163 PolarHBondContact OD1-OG 3.27Å; N161-F187 HydrophobicContact CB-CB 3.96Å; N161-F187 HydrophobicContact CB-CD2 3.97Å; N161-F187 HydrophobicContact CB-CG 4.32Å; N161-F187 WeakPolarHBondContact OD1-CB 3.48Å; N161-F187 PolarHBondContact OD1-O 2.87Å
162I98.4Very high97.8Very high0 Ų043.5 Ų43.50%022%0.219CC..  trans-125.229.7175.152.5165.3000110.4L136 L147 L160 W164 C165 V168 I173 F187 L188 C191L136-I162 HydrophobicContact CB-CG2 4.23Å; L136-I162 HydrophobicContact CD1-CG2 4.22Å; L147-I162 HydrophobicContact CD1-CD1 4.03Å; L147-I162 HydrophobicContact CD2-CD1 4.37Å; L147-I162 HydrophobicContact CD2-CG2 4.26Å; L160-I162 HydrophobicContact CD1-CG2 4.01Å; L160-I162 HydrophobicContact CD2-CG2 4.09Å; L160-I162 HydrophobicContact CG-CG2 3.96Å; I162-W164 PolarHBondContact O-N 3.02Å; I162-C165 HydrophobicContact CB-CB 4.19Å; I162-C165 WeakPolarHBondContact O-CB 3.19Å; I162-C165 PolarHBondContact O-N 3.09Å; I162-C165 VanDerWaalsContact O-N 3.09Å; I162-C165 PolarHBondContact O-SG 3.39Å; I162-C165 VanDerWaalsContact O-SG 3.4Å; I162-V168 HydrophobicContact CD1-CB 4.45Å; I162-V168 HydrophobicContact CD1-CG1 3.95Å; I162-V168 HydrophobicContact CD1-CG2 4.31Å; I162-I173 HydrophobicContact CD1-CD1 4.11Å; I162-F187 PolarHBondContact N-O 3.32Å; I162-L188 HydrophobicContact CD1-CD2 3.42Å; I162-L188 VanDerWaalsContact CD1-CD2 3.42Å; I162-L188 HydrophobicContact CG1-CD2 3.48Å; I162-L188 VanDerWaalsContact CG1-CD2 3.48Å; I162-C191 PolarHBondContact O-SG 2.54Å
163S98.6Very high97.8Very high9 Ų937 Ų376%0.06319%0.188CC..THydrogen-bonded Turntrans-55.9137.5178.8-57.10000110.8A137 S138 N161 C165 F187 K189A137-S163 CarbonylContact C-O 3.5Å; A137-S163 VanDerWaalsContact CA-O 3.22Å; A137-S163 WeakPolarHBondContact CA-O 3.06Å; S138-S163 PolarHBondContact N-O 2.97Å; N161-S163 VanDerWaalsContact OD1-CB 3.27Å; N161-S163 WeakPolarHBondContact OD1-CB 3.32Å; N161-S163 PolarHBondContact OD1-N 2.9Å; N161-S163 PolarHBondContact OD1-OG 3.27Å; S163-C165 PolarHBondContact O-N 2.84Å; S163-F187 PolarHBondContact N-O 3.01Å; S163-K189 CarbonylContact C-O 3.59Å; S163-K189 WeakPolarHBondContact CA-O 3.34Å; S163-K189 WeakPolarHBondContact CB-O 3.46Å; S163-K189 PolarHBondContact OG-N 3.01Å
164W97.8Very high97.8Very high104 Ų10438.3 Ų38.339%0.39419%0.191SC..THydrogen-bonded Turntrans6122.7-176.9-49.1106.9000114.5I162 D166 K189I162-W164 PolarHBondContact O-N 3.02Å; W164-D166 PolarHBondContact O-N 3.28Å; W164-K189 HydrophobicContact CZ2-CD 4.48Å; W164-K189 HydrophobicContact CZ2-CG 4.23Å; W164-K189 PolarHBondContact N-O 3.16Å
165C96.9Very high97.9Very high0 Ų039.5 Ų39.50%020%0.201CC..  trans-91.574.3166.8-63.40000109.5L136 C139 I162 S163 Q167 V168L136-C165 PolarHBondContact O-SG 3.09Å; L136-C165 VanDerWaalsContact O-SG 3.39Å; C139-C165 PolarHBondContact O-SG 3.33Å; I162-C165 HydrophobicContact CB-CB 4.19Å; I162-C165 WeakPolarHBondContact O-CB 3.19Å; I162-C165 PolarHBondContact O-N 3.09Å; I162-C165 VanDerWaalsContact O-N 3.09Å; I162-C165 PolarHBondContact O-SG 3.39Å; I162-C165 VanDerWaalsContact O-SG 3.4Å; S163-C165 PolarHBondContact O-N 2.84Å; C165-Q167 PolarHBondContact O-N 2.91Å; C165-Q167 VanDerWaalsContact O-N 3.07Å; C165-V168 HydrophobicContact CB-CG2 3.99Å; C165-V168 WeakPolarHBondContact O-CB 3.29Å; C165-V168 PolarHBondContact O-N 3.05Å; C165-V168 VanDerWaalsContact O-N 3.09Å
166D93.1Very high97.9Very high65 Ų6535.9 Ų35.935%0.34818%0.177SC..THydrogen-bonded Turntrans-66.4-13.2-169.2-66.4-17.8000114.6W164 V168 Q193W164-D166 PolarHBondContact O-N 3.28Å; D166-V168 VanDerWaalsContact C-N 3.27Å; D166-Q193 WeakPolarHBondContact O-CG 3.16Å; D166-Q193 PolarHBondContact O-NE2 3.19Å
167Q95.8Very high97.9Very high100 Ų10032 Ų3247%0.46716%0.157SC..THydrogen-bonded Turntrans-83.5-2.1176.4-56.5-170.710.900113.4T140 T143 C165T140-Q167 PolarHBondContact O-NE2 2.8Å; T143-Q167 HydrophobicContact CG2-CB 4.16Å; C165-Q167 PolarHBondContact O-N 2.91Å; C165-Q167 VanDerWaalsContact O-N 3.07Å
168V97.4Very high97.7Very high0 Ų040.2 Ų40.20%019%0.188CC..  trans-83.7129.1175.2176.10000109.8N144 L147 I162 C165 D166 I173N144-V168 WeakPolarHBondContact OD1-CA 3.35Å; L147-V168 HydrophobicContact CD1-CG1 3.53Å; L147-V168 HydrophobicContact CD1-CG2 4.38Å; I162-V168 HydrophobicContact CD1-CB 4.45Å; I162-V168 HydrophobicContact CD1-CG1 3.95Å; I162-V168 HydrophobicContact CD1-CG2 4.31Å; C165-V168 HydrophobicContact CB-CG2 3.99Å; C165-V168 WeakPolarHBondContact O-CB 3.29Å; C165-V168 PolarHBondContact O-N 3.05Å; C165-V168 VanDerWaalsContact O-N 3.09Å; D166-V168 VanDerWaalsContact C-N 3.27Å; V168-I173 HydrophobicContact CG1-CD1 4.24Å; V168-I173 HydrophobicContact CG1-CG1 4.34Å
169T98Very high97.6Very high30 Ų3039.9 Ų39.918%0.18419%0.194CC..  trans-118.7-179.1176.874.80000110.8N144 D171 G172 I173 Q193N144-T169 PolarHBondContact ND2-OG1 3.2Å; N144-T169 PolarHBondContact OD1-N 2.88Å; T169-D171 PolarHBondContact O-N 3.03Å; T169-D171 VanDerWaalsContact O-N 3.13Å; T169-D171 PolarHBondContact OG1-N 2.06Å; T169-G172 PolarHBondContact O-N 3.03Å; T169-G172 VanDerWaalsContact O-N 3.12Å; T169-I173 PolarHBondContact O-N 3.14Å; T169-Q193 HydrophobicContact CG2-CB 4.35Å
170K97.9Very high97.4Very high71 Ų7136.2 Ų36.231%0.30918%0.177SC..Hα-helixtrans-52.3-31.7174.667.6-175.9175.9-165.20114.2I173 Q174 E197 A198K170-I173 PolarHBondContact O-N 3.21Å; K170-Q174 WeakPolarHBondContact O-CB 3.49Å; K170-Q174 PolarHBondContact O-N 3.1Å; K170-E197 HydrophobicContact CB-CB 4.48Å; K170-E197 HydrophobicContact CD-CB 3.69Å; K170-E197 HydrophobicContact CD-CG 4.42Å; K170-A198 HydrophobicContact CB-CB 3.96Å
171D98.4Very high97.1Very high88 Ų8837.9 Ų37.947%0.47119%0.194SC..Hα-helixtrans-69.9-37.1-178.7-58.2-41.6000111.6T169 Q174 A175T169-D171 PolarHBondContact O-N 3.03Å; T169-D171 VanDerWaalsContact O-N 3.13Å; T169-D171 PolarHBondContact OG1-N 2.06Å; D171-Q174 PolarHBondContact O-N 3.37Å; D171-A175 WeakPolarHBondContact O-CB 3.19Å; D171-A175 PolarHBondContact O-N 3.07Å
172G98.4Very high97Very high0 Ų038.2 Ų38.20%020%0.204CC..Hα-helixtrans-65.2-45173.100000111.5N144 L147 T169 A175 L176N144-G172 VanDerWaalsContact OD1-CA 3.28Å; N144-G172 WeakPolarHBondContact OD1-CA 3.24Å; N144-G172 PolarHBondContact OD1-N 3.21Å; L147-G172 WeakPolarHBondContact CB-O 3.47Å; L147-G172 VanDerWaalsContact CD1-C 3.43Å; L147-G172 WeakPolarHBondContact CD1-O 3.48Å; T169-G172 PolarHBondContact O-N 3.03Å; T169-G172 VanDerWaalsContact O-N 3.12Å; G172-A175 PolarHBondContact O-N 2.98Å; G172-L176 WeakPolarHBondContact O-CB 3.43Å; G172-L176 PolarHBondContact O-N 3.24Å
173I98.4Very high97Very high0 Ų038.2 Ų38.20%020%0.204CC..Hα-helixtrans-61.5-45.1175.8-62.2-60.9000110.8L147 I162 V168 T169 K170 A175 L176 V177 L188 L194 A198 I202L147-I173 HydrophobicContact CD1-CD1 4.02Å; I162-I173 HydrophobicContact CD1-CD1 4.11Å; V168-I173 HydrophobicContact CG1-CD1 4.24Å; V168-I173 HydrophobicContact CG1-CG1 4.34Å; T169-I173 PolarHBondContact O-N 3.14Å; K170-I173 PolarHBondContact O-N 3.21Å; I173-A175 VanDerWaalsContact C-N 3.33Å; I173-A175 PolarHBondContact O-N 2.96Å; I173-L176 WeakPolarHBondContact O-CB 3.19Å; I173-L176 PolarHBondContact O-N 3.23Å; I173-V177 HydrophobicContact CG2-CG1 4.33Å; I173-V177 WeakPolarHBondContact O-CG1 3.28Å; I173-V177 WeakPolarHBondContact O-CG2 3.48Å; I173-V177 PolarHBondContact O-N 3.47Å; I173-L188 HydrophobicContact CD1-CD2 3.93Å; I173-L194 HydrophobicContact CG1-CD2 3.83Å; I173-A198 HydrophobicContact CB-CB 4.27Å; I173-A198 HydrophobicContact CG1-CB 4.25Å; I173-A198 HydrophobicContact CG2-CB 4.27Å; I173-I202 HydrophobicContact CG2-CD1 3.8Å; I173-I202 HydrophobicContact CG2-CG1 3.61Å
174Q98.3Very high97Very high40 Ų4041.5 Ų41.519%0.18722%0.217CC..Hα-helixtrans-57.7-46.2175.8-171.8-175.835.100111.7K170 D171 L176 R178 Y201K170-Q174 WeakPolarHBondContact O-CB 3.49Å; K170-Q174 PolarHBondContact O-N 3.1Å; D171-Q174 PolarHBondContact O-N 3.37Å; Q174-L176 VanDerWaalsContact C-N 3.34Å; Q174-R178 WeakPolarHBondContact O-CG 3.45Å; Q174-R178 PolarHBondContact O-N 3.45Å; Q174-Y201 HydrophobicContact CB-CD1 4.36Å; Q174-Y201 HydrophobicContact CB-CD2 3.59Å; Q174-Y201 HydrophobicContact CB-CE1 4.5Å; Q174-Y201 HydrophobicContact CB-CE2 3.74Å; Q174-Y201 HydrophobicContact CB-CG 3.93Å; Q174-Y201 VanDerWaalsContact CD-CZ 3.44Å; Q174-Y201 HydrophobicContact CG-CD1 3.81Å; Q174-Y201 HydrophobicContact CG-CD2 3.93Å; Q174-Y201 HydrophobicContact CG-CE1 3.78Å; Q174-Y201 HydrophobicContact CG-CE2 3.89Å; Q174-Y201 HydrophobicContact CG-CG 3.89Å; Q174-Y201 PolarHBondContact NE2-OH 3.47Å; Q174-Y201 VanDerWaalsContact NE2-OH 3.14Å
175A98.2Very high97Very high24 Ų2436.7 Ų36.720%0.19820%0.199CC..Hα-helixtrans-63.1-41.7177.900000111.7K148 S151 D171 G172 I173K148-A175 HydrophobicContact CB-CB 4.02Å; K148-A175 HydrophobicContact CG-CB 4.41Å; S151-A175 WeakPolarHBondContact CB-O 3.35Å; S151-A175 PolarHBondContact OG-O 2.57Å; D171-A175 WeakPolarHBondContact O-CB 3.19Å; D171-A175 PolarHBondContact O-N 3.07Å; G172-A175 PolarHBondContact O-N 2.98Å; I173-A175 VanDerWaalsContact C-N 3.33Å; I173-A175 PolarHBondContact O-N 2.96Å
176L98.4Very high97.1Very high0 Ų036.7 Ų36.70%020%0.199CC..Hα-helixtrans-58.2-59.2178.7179.966.9000112L147 L150 S151 L157 L160 G172 I173 Q174 R178 G179 C180 L183 L186L147-L176 HydrophobicContact CB-CB 4.21Å; L147-L176 HydrophobicContact CD1-CB 4.43Å; L147-L176 HydrophobicContact CD2-CD1 4.45Å; L147-L176 HydrophobicContact CD2-CD2 4.4Å; L150-L176 HydrophobicContact CB-CD1 4.47Å; S151-L176 WeakPolarHBondContact CB-O 3.3Å; L157-L176 HydrophobicContact CD2-CD1 4.49Å; L160-L176 HydrophobicContact CD2-CD1 3.95Å; L160-L176 HydrophobicContact CD2-CD2 3.41Å; L160-L176 VanDerWaalsContact CD2-CD2 3.41Å; L160-L176 HydrophobicContact CD2-CG 4.33Å; G172-L176 WeakPolarHBondContact O-CB 3.43Å; G172-L176 PolarHBondContact O-N 3.24Å; I173-L176 WeakPolarHBondContact O-CB 3.19Å; I173-L176 PolarHBondContact O-N 3.23Å; Q174-L176 VanDerWaalsContact C-N 3.34Å; L176-R178 PolarHBondContact O-N 3.44Å; L176-G179 PolarHBondContact O-N 3.07Å; L176-G179 VanDerWaalsContact O-N 3.09Å; L176-C180 HydrophobicContact CD1-CB 4.28Å; L176-C180 PolarHBondContact O-N 3.3Å; L176-L183 HydrophobicContact CD2-CD1 4.03Å; L176-L183 HydrophobicContact CG-CD1 4.2Å; L176-L186 HydrophobicContact CD2-CD1 4.3Å
177V97.6Very high97.4Very high2 Ų236.3 Ų36.31%0.01220%0.195CC..Hα-helixtrans-70-19.3-167.9-58.60000113I173 G179 I202 H205 C206I173-V177 HydrophobicContact CG2-CG1 4.33Å; I173-V177 WeakPolarHBondContact O-CG1 3.28Å; I173-V177 WeakPolarHBondContact O-CG2 3.48Å; I173-V177 PolarHBondContact O-N 3.47Å; V177-G179 VanDerWaalsContact C-N 3.34Å; V177-I202 HydrophobicContact CG1-CG1 4.09Å; V177-H205 HydrophobicContact CB-CB 3.87Å; V177-H205 HydrophobicContact CG2-CB 3.77Å; V177-C206 VanDerWaalsContact CG1-SG 3.56Å
178R95.4Very high97.5Very high172 Ų17231.6 Ų31.665%0.64917%0.173SC*.Hα-helixtrans-66.7-32.1172.1-76178.3-179.1-165.85.5113.5Q174 L176Q174-R178 WeakPolarHBondContact O-CG 3.45Å; Q174-R178 PolarHBondContact O-N 3.45Å; L176-R178 PolarHBondContact O-N 3.44Å
179G94.8Very high97.6Very high28 Ų2834.2 Ų34.229%0.28918%0.184SC..Hα-helixtrans-100.6-29.4179.200000113.7S151 L176 V177S151-G179 WeakPolarHBondContact O-CA 3.4Å; L176-G179 PolarHBondContact O-N 3.07Å; L176-G179 VanDerWaalsContact O-N 3.09Å; V177-G179 VanDerWaalsContact C-N 3.34Å
180C96.2Very high97.5Very high0 Ų032.8 Ų32.80%018%0.175CC..  trans-109.753.9-175.5-58.20000112.2C154 L157 L176 G182 L183C154-C180 PolarHBondContact O-SG 2.94Å; L157-C180 HydrophobicContact CB-CB 4.37Å; L176-C180 HydrophobicContact CD1-CB 4.28Å; L176-C180 PolarHBondContact O-N 3.3Å; C180-G182 PolarHBondContact O-N 2.82Å; C180-G182 VanDerWaalsContact O-N 3.15Å; C180-L183 HydrophobicContact CB-CD1 4.01Å; C180-L183 HydrophobicContact CB-CG 4.04Å; C180-L183 VanDerWaalsContact O-CG 3.27Å; C180-L183 WeakPolarHBondContact O-CG 3.5Å; C180-L183 PolarHBondContact O-N 2.65Å
181G91.4Very high97.5Very high34 Ų3429.4 Ų29.435%0.35116%0.161SC..THydrogen-bonded Turntrans-65.5-14-179.800000115L183G181-L183 VanDerWaalsContact C-N 3.27Å; G181-L183 PolarHBondContact O-N 3.17Å
182G96.4Very high97.3Very high35 Ų3527.8 Ų27.836%0.36115%0.154SC..THydrogen-bonded Turntrans-83.49.1176.400000115.2C180 K184C180-G182 PolarHBondContact O-N 2.82Å; C180-G182 VanDerWaalsContact O-N 3.15Å; G182-K184 PolarHBondContact O-N 3.04Å
183L98.5Very high97.1Very high0 Ų032.7 Ų32.70%018%0.177CC..  trans-61.1127.3179.1-80.7169000111.5L157 L160 L176 C180 G181 E208 L209L157-L183 HydrophobicContact CD2-CD2 4.34Å; L157-L183 HydrophobicContact CG-CD2 4.19Å; L160-L183 HydrophobicContact CB-CD2 4.23Å; L176-L183 HydrophobicContact CD2-CD1 4.03Å; L176-L183 HydrophobicContact CG-CD1 4.2Å; C180-L183 HydrophobicContact CB-CD1 4.01Å; C180-L183 HydrophobicContact CB-CG 4.04Å; C180-L183 VanDerWaalsContact O-CG 3.27Å; C180-L183 WeakPolarHBondContact O-CG 3.5Å; C180-L183 PolarHBondContact O-N 2.65Å; G181-L183 VanDerWaalsContact C-N 3.27Å; G181-L183 PolarHBondContact O-N 3.17Å; L183-E208 CarbonylContact O-C 3.27Å; L183-L209 PolarHBondContact O-N 3.21Å
184K98.8Very high97Very high79 Ų7932.7 Ų32.734%0.34318%0.177SC..  trans-108.9-30.6176.8-61.6178.2-172.9162.90112.3E158 G182 V210 T211E158-K184 HydrophobicContact CB-CD 4.4Å; E158-K184 WeakPolarHBondContact O-CA 3.45Å; E158-K184 PolarHBondContact O-N 3.13Å; E158-K184 IonicContact OE1-NZ 2.57Å; E158-K184 WeakPolarHBondContact OE2-CE 3.29Å; E158-K184 IonicContact OE2-NZ 3.53Å; E158-K184 PolarHBondContact OE2-NZ 2.76Å; G182-K184 PolarHBondContact O-N 3.04Å; K184-V210 WeakPolarHBondContact O-CA 3.38Å; K184-V210 PolarHBondContact O-N 2.99Å; K184-T211 PolarHBondContact O-N 3.45Å
185A98.9Very high97Very high2 Ų235.3 Ų35.32%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-134.1130.2175.200000111.5E158 Q159 L160 F187 T211E158-A185 PolarHBondContact O-N 2.86Å; Q159-A185 VanDerWaalsContact CA-O 3.31Å; Q159-A185 WeakPolarHBondContact CA-O 3.48Å; Q159-A185 HydrophobicContact CB-CB 4.19Å; Q159-A185 HydrophobicContact CG-CB 3.71Å; L160-A185 PolarHBondContact N-O 2.75Å; A185-F187 HydrophobicContact CB-CE2 3.69Å; A185-F187 HydrophobicContact CB-CZ 4.07Å; A185-T211 VanDerWaalsContact CA-O 3.32Å; A185-T211 WeakPolarHBondContact CA-O 3.48Å; A185-T211 HydrophobicContact CB-CG2 4.48Å
186L98.8Very high97Very high0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-131.1120.9176.8-171.161000109.6L160 L176 L188 I202 L209 T211 L212 N213L160-L186 HydrophobicContact CB-CD1 3.98Å; L160-L186 HydrophobicContact CD2-CD1 4.24Å; L160-L186 HydrophobicContact CG-CD1 4.36Å; L160-L186 WeakPolarHBondContact O-CA 2.92Å; L176-L186 HydrophobicContact CD2-CD1 4.3Å; L186-L188 HydrophobicContact CD1-CD2 3.98Å; L186-L188 HydrophobicContact CD2-CD1 3.86Å; L186-L188 HydrophobicContact CD2-CD2 4.2Å; L186-L188 HydrophobicContact CD2-CG 4.22Å; L186-L188 HydrophobicContact CG-CD1 4.05Å; L186-L188 HydrophobicContact CG-CD2 3.84Å; L186-L188 HydrophobicContact CG-CG 3.86Å; L186-I202 HydrophobicContact CD2-CD1 3.67Å; L186-I202 HydrophobicContact CD2-CG1 4.09Å; L186-L209 HydrophobicContact CB-CD1 4.1Å; L186-T211 PolarHBondContact N-O 3.5Å; L186-L212 HydrophobicContact CB-CD1 4.24Å; L186-L212 WeakPolarHBondContact O-CA 3.47Å; L186-N213 PolarHBondContact O-N 2.93Å
187F98.9Very high96.9Very high58 Ų5838.3 Ų38.325%0.25420%0.2SC..EExtended strand (participates in β ladder)trans-114.1113.9179.9-52.9-93.5000109.5L160 N161 I162 S163 A185 T211 N213L160-F187 PolarHBondContact O-N 2.81Å; N161-F187 HydrophobicContact CB-CB 3.96Å; N161-F187 HydrophobicContact CB-CD2 3.97Å; N161-F187 HydrophobicContact CB-CG 4.32Å; N161-F187 WeakPolarHBondContact OD1-CB 3.48Å; N161-F187 PolarHBondContact OD1-O 2.87Å; I162-F187 PolarHBondContact N-O 3.32Å; S163-F187 PolarHBondContact N-O 3.01Å; A185-F187 HydrophobicContact CB-CE2 3.69Å; A185-F187 HydrophobicContact CB-CZ 4.07Å; F187-T211 HydrophobicContact CE1-CG2 3.85Å; F187-T211 HydrophobicContact CZ-CG2 3.93Å; F187-N213 HydrophobicContact CB-CB 4.36Å; F187-N213 HydrophobicContact CD1-CB 3.68Å; F187-N213 HydrophobicContact CE1-CB 4.49Å; F187-N213 HydrophobicContact CG-CB 4.42Å
188L98.5Very high97Very high0 Ų038.2 Ų38.20%020%0.199CC..  trans-122.118.9-172.9-54.2174000111.2I162 I173 L186 G190 C191 L194 I202 L212 N213 L214 C217I162-L188 HydrophobicContact CD1-CD2 3.42Å; I162-L188 VanDerWaalsContact CD1-CD2 3.42Å; I162-L188 HydrophobicContact CG1-CD2 3.48Å; I162-L188 VanDerWaalsContact CG1-CD2 3.48Å; I173-L188 HydrophobicContact CD1-CD2 3.93Å; L186-L188 HydrophobicContact CD1-CD2 3.98Å; L186-L188 HydrophobicContact CD2-CD1 3.86Å; L186-L188 HydrophobicContact CD2-CD2 4.2Å; L186-L188 HydrophobicContact CD2-CG 4.22Å; L186-L188 HydrophobicContact CG-CD1 4.05Å; L186-L188 HydrophobicContact CG-CD2 3.84Å; L186-L188 HydrophobicContact CG-CG 3.86Å; L188-G190 PolarHBondContact O-N 2.97Å; L188-C191 VanDerWaalsContact O-CB 3.28Å; L188-C191 WeakPolarHBondContact O-CB 3.38Å; L188-C191 PolarHBondContact O-N 2.97Å; L188-C191 PolarHBondContact O-SG 3.37Å; L188-L194 HydrophobicContact CB-CD1 3.91Å; L188-L194 HydrophobicContact CD1-CD1 3.85Å; L188-L194 HydrophobicContact CD2-CD1 4.27Å; L188-L194 HydrophobicContact CG-CD1 4.21Å; L188-I202 HydrophobicContact CD1-CD1 4.05Å; L188-L212 HydrophobicContact CD1-CD1 4.27Å; L188-N213 CarbonylContact C-O 3.36Å; L188-N213 WeakPolarHBondContact CA-O 3.37Å; L188-N213 WeakPolarHBondContact CB-O 3.27Å; L188-N213 PolarHBondContact N-O 2.63Å; L188-L214 HydrophobicContact CB-CD2 4.19Å; L188-L214 HydrophobicContact CD1-CD2 3.8Å; L188-C217 PolarHBondContact O-SG 3.42Å
189K98.4Very high97.1Very high56 Ų5630 Ų3024%0.24317%0.168CC..THydrogen-bonded Turntrans-52.8131.2-176.9164.6174.8-176.6160.50110.5S163 W164 C191 Q215S163-K189 CarbonylContact C-O 3.59Å; S163-K189 WeakPolarHBondContact CA-O 3.34Å; S163-K189 WeakPolarHBondContact CB-O 3.46Å; S163-K189 PolarHBondContact OG-N 3.01Å; W164-K189 HydrophobicContact CZ2-CD 4.48Å; W164-K189 HydrophobicContact CZ2-CG 4.23Å; W164-K189 PolarHBondContact N-O 3.16Å; K189-C191 PolarHBondContact O-N 3.03Å; K189-Q215 CarbonylContact C-O 3.47Å; K189-Q215 VanDerWaalsContact CA-O 3.31Å; K189-Q215 WeakPolarHBondContact CA-O 3.2Å; K189-Q215 HydrophobicContact CB-CB 4.14Å; K189-Q215 HydrophobicContact CD-CB 4.19Å; K189-Q215 HydrophobicContact CD-CG 4.33Å; K189-Q215 VanDerWaalsContact CE-OE1 3.27Å; K189-Q215 HydrophobicContact CG-CB 3.92Å; K189-Q215 HydrophobicContact CG-CG 4.3Å
190G96.8Very high97.3Very high0 Ų031.7 Ų31.70%017%0.168CC..THydrogen-bonded Turntrans74.5-0.3176.100000114.5L188 T192 Q215L188-G190 PolarHBondContact O-N 2.97Å; G190-T192 WeakPolarHBondContact O-CG2 3.29Å; G190-T192 PolarHBondContact O-N 2.69Å; G190-Q215 PolarHBondContact N-O 3.4Å
191C96.9Very high97.4Very high0 Ų034.4 Ų34.40%018%0.178CC..  trans-71.581.5173.7-66.80000110.2I162 L188 K189 Q193 L194 C217I162-C191 PolarHBondContact O-SG 2.54Å; L188-C191 VanDerWaalsContact O-CB 3.28Å; L188-C191 WeakPolarHBondContact O-CB 3.38Å; L188-C191 PolarHBondContact O-N 2.97Å; L188-C191 PolarHBondContact O-SG 3.37Å; K189-C191 PolarHBondContact O-N 3.03Å; C191-Q193 VanDerWaalsContact C-N 3.27Å; C191-Q193 PolarHBondContact O-N 3.21Å; C191-L194 HydrophobicContact CB-CD1 3.56Å; C191-L194 HydrophobicContact CB-CG 3.81Å; C191-L194 PolarHBondContact O-N 3.23Å; C191-C217 PolarHBondContact O-SG 3.2Å
192T95Very high97.7Very high54 Ų5432.8 Ų32.833%0.33116%0.161SC..THydrogen-bonded Turntrans-69.6-17.5-169.152.90000114.8G190 L194G190-T192 WeakPolarHBondContact O-CG2 3.29Å; G190-T192 PolarHBondContact O-N 2.69Å; T192-L194 VanDerWaalsContact C-N 3.31Å
193Q95.2Very high97.8Very high102 Ų10231.6 Ų31.648%0.47715%0.149SC..THydrogen-bonded Turntrans-84.10.8176.2-64.8-158.271.800114.1D166 T169 C191D166-Q193 WeakPolarHBondContact O-CG 3.16Å; D166-Q193 PolarHBondContact O-NE2 3.19Å; T169-Q193 HydrophobicContact CG2-CB 4.35Å; C191-Q193 VanDerWaalsContact C-N 3.27Å; C191-Q193 PolarHBondContact O-N 3.21Å
194L96.4Very high97.8Very high0 Ų035 Ų350%018%0.177CC..  trans-84.1125.7178.3-64-177.7000111.5I173 L188 C191 T192 A198 Q219 I220I173-L194 HydrophobicContact CG1-CD2 3.83Å; L188-L194 HydrophobicContact CB-CD1 3.91Å; L188-L194 HydrophobicContact CD1-CD1 3.85Å; L188-L194 HydrophobicContact CD2-CD1 4.27Å; L188-L194 HydrophobicContact CG-CD1 4.21Å; C191-L194 HydrophobicContact CB-CD1 3.56Å; C191-L194 HydrophobicContact CB-CG 3.81Å; C191-L194 PolarHBondContact O-N 3.23Å; T192-L194 VanDerWaalsContact C-N 3.31Å; L194-A198 HydrophobicContact CD2-CB 4.03Å; L194-Q219 WeakPolarHBondContact O-CB 3.27Å; L194-I220 WeakPolarHBondContact O-CD1 3.46Å
195E96.3Very high97.7Very high95 Ų9535 Ų3544%0.44418%0.178SC..BIsolated β-bridgetrans-111.9173.2176.3-62.2166.6-163.500110.5E197 A198 Q219 I220E195-E197 PolarHBondContact O-N 2.79Å; E195-E197 VanDerWaalsContact O-N 3.07Å; E195-A198 VanDerWaalsContact O-CB 3.3Å; E195-A198 WeakPolarHBondContact O-CB 3.36Å; E195-A198 PolarHBondContact O-N 3.04Å; E195-Q219 HydrophobicContact CG-CB 3.99Å; E195-I220 VanDerWaalsContact C-CD1 3.44Å
196D98.3Very high97.6Very high22 Ų2234.9 Ų34.912%0.11818%0.177CC..Hα-helixtrans-54.4-30.9-177.4-69.4-28.7000114.7A198 L199 K200 T221 G224D196-A198 PolarHBondContact O-N 3.12Å; D196-L199 WeakPolarHBondContact O-CA 3.45Å; D196-L199 WeakPolarHBondContact O-CB 3.31Å; D196-L199 PolarHBondContact O-N 3.04Å; D196-K200 PolarHBondContact O-N 3.25Å; D196-T221 PolarHBondContact OD1-N 2.93Å; D196-T221 WeakPolarHBondContact OD2-CB 3.44Å; D196-T221 PolarHBondContact OD2-OG1 3.45Å; D196-G224 VanDerWaalsContact CG-N 3.32Å; D196-G224 WeakPolarHBondContact OD1-CA 3.3Å; D196-G224 PolarHBondContact OD1-N 2.75Å
197E98.3Very high97.6Very high66 Ų6638.1 Ų38.131%0.30820%0.198SC..Hα-helixtrans-59.7-33.2175.2-77-55.1143.100113.1K170 E195 L199 K200 Y201K170-E197 HydrophobicContact CB-CB 4.48Å; K170-E197 HydrophobicContact CD-CB 3.69Å; K170-E197 HydrophobicContact CD-CG 4.42Å; E195-E197 PolarHBondContact O-N 2.79Å; E195-E197 VanDerWaalsContact O-N 3.07Å; E197-L199 VanDerWaalsContact C-N 3.29Å; E197-L199 PolarHBondContact O-N 2.97Å; E197-K200 PolarHBondContact O-N 3.19Å; E197-K200 WeakPolarHBondContact OE1-CD 3.32Å; E197-K200 IonicContact OE1-NZ 2.69Å; E197-K200 PolarHBondContact OE1-NZ 3.32Å; E197-Y201 WeakPolarHBondContact O-CD2 3.38Å; E197-Y201 PolarHBondContact O-N 2.72Å
198A98.3Very high97.5Very high0 Ų038.9 Ų38.90%020%0.203CC..Hα-helixtrans-62.6-40.6173.400000111.1K170 I173 L194 E195 D196 Y201 I202K170-A198 HydrophobicContact CB-CB 3.96Å; I173-A198 HydrophobicContact CB-CB 4.27Å; I173-A198 HydrophobicContact CG1-CB 4.25Å; I173-A198 HydrophobicContact CG2-CB 4.27Å; L194-A198 HydrophobicContact CD2-CB 4.03Å; E195-A198 VanDerWaalsContact O-CB 3.3Å; E195-A198 WeakPolarHBondContact O-CB 3.36Å; E195-A198 PolarHBondContact O-N 3.04Å; D196-A198 PolarHBondContact O-N 3.12Å; A198-Y201 PolarHBondContact O-N 2.97Å; A198-I202 WeakPolarHBondContact O-CG1 3.35Å; A198-I202 PolarHBondContact O-N 2.69Å
199L98.5Very high97.5Very high0 Ų038.9 Ų38.90%020%0.203CC..Hα-helixtrans-70.1-35.1179.1-58.9-165.4000112.2D196 E197 Y201 I202 G203 L214 I220 G224 L225 I228D196-L199 WeakPolarHBondContact O-CA 3.45Å; D196-L199 WeakPolarHBondContact O-CB 3.31Å; D196-L199 PolarHBondContact O-N 3.04Å; E197-L199 VanDerWaalsContact C-N 3.29Å; E197-L199 PolarHBondContact O-N 2.97Å; L199-Y201 VanDerWaalsContact C-N 3.31Å; L199-Y201 PolarHBondContact O-N 2.74Å; L199-I202 HydrophobicContact CD2-CD1 3.98Å; L199-I202 PolarHBondContact O-N 3.1Å; L199-I202 VanDerWaalsContact O-N 3.15Å; L199-G203 PolarHBondContact O-N 3.42Å; L199-L214 HydrophobicContact CD1-CD1 3.91Å; L199-L214 HydrophobicContact CD2-CD1 4.01Å; L199-L214 HydrophobicContact CD2-CD2 3.77Å; L199-I220 HydrophobicContact CD1-CD1 3.8Å; L199-I220 HydrophobicContact CD1-CG1 4.28Å; L199-I220 HydrophobicContact CD1-CG2 3.56Å; L199-I220 HydrophobicContact CD2-CD1 4.39Å; L199-I220 HydrophobicContact CG-CD1 3.83Å; L199-G224 WeakPolarHBondContact CB-O 3.41Å; L199-L225 HydrophobicContact CD1-CD2 4.14Å; L199-L225 HydrophobicContact CD1-CG 4.14Å; L199-I228 HydrophobicContact CB-CD1 4.01Å; L199-I228 HydrophobicContact CB-CG1 3.98Å; L199-I228 HydrophobicContact CD1-CG1 4.32Å; L199-I228 HydrophobicContact CD2-CD1 4.38Å; L199-I228 HydrophobicContact CD2-CG1 4.49Å; L199-I228 HydrophobicContact CG-CG1 4.49Å; L199-I228 VanDerWaalsContact O-CD1 3.3Å; L199-I228 WeakPolarHBondContact O-CD1 3.41Å
200K98.4Very high97.6Very high63 Ų6337.8 Ų37.827%0.27420%0.201SC..Hα-helixtrans-58.6-43.1173.2-68.9178.1-168.2169.50111.8D196 E197 G203 A204 D223 T227D196-K200 PolarHBondContact O-N 3.25Å; E197-K200 PolarHBondContact O-N 3.19Å; E197-K200 WeakPolarHBondContact OE1-CD 3.32Å; E197-K200 IonicContact OE1-NZ 2.69Å; E197-K200 PolarHBondContact OE1-NZ 3.32Å; K200-G203 PolarHBondContact O-N 3.13Å; K200-A204 WeakPolarHBondContact O-CB 3.4Å; K200-A204 PolarHBondContact O-N 2.96Å; K200-D223 WeakPolarHBondContact CE-OD2 3.24Å; K200-D223 IonicContact NZ-OD2 2.82Å; K200-D223 PolarHBondContact NZ-OD2 3.31Å; K200-T227 WeakPolarHBondContact CA-OG1 3.48Å; K200-T227 HydrophobicContact CG-CG2 3.75Å; K200-T227 PolarHBondContact N-OG1 3.12Å
201Y98.4Very high97.7Very high56 Ų5639.3 Ų39.322%0.2221%0.21CC..Hα-helixtrans-64.3-41.7175.2-63.9-52.2000112.3Q174 E197 A198 L199 A204 H205Q174-Y201 HydrophobicContact CB-CD1 4.36Å; Q174-Y201 HydrophobicContact CB-CD2 3.59Å; Q174-Y201 HydrophobicContact CB-CE1 4.5Å; Q174-Y201 HydrophobicContact CB-CE2 3.74Å; Q174-Y201 HydrophobicContact CB-CG 3.93Å; Q174-Y201 VanDerWaalsContact CD-CZ 3.44Å; Q174-Y201 HydrophobicContact CG-CD1 3.81Å; Q174-Y201 HydrophobicContact CG-CD2 3.93Å; Q174-Y201 HydrophobicContact CG-CE1 3.78Å; Q174-Y201 HydrophobicContact CG-CE2 3.89Å; Q174-Y201 HydrophobicContact CG-CG 3.89Å; Q174-Y201 PolarHBondContact NE2-OH 3.47Å; Q174-Y201 VanDerWaalsContact NE2-OH 3.14Å; E197-Y201 WeakPolarHBondContact O-CD2 3.38Å; E197-Y201 PolarHBondContact O-N 2.72Å; A198-Y201 PolarHBondContact O-N 2.97Å; L199-Y201 VanDerWaalsContact C-N 3.31Å; L199-Y201 PolarHBondContact O-N 2.74Å; Y201-A204 PolarHBondContact O-N 3.03Å; Y201-H205 WeakPolarHBondContact O-CB 3.37Å; Y201-H205 PolarHBondContact O-CD2 3.39Å; Y201-H205 VanDerWaalsContact O-CD2 3.26Å; Y201-H205 PolarHBondContact O-N 3.43Å; Y201-H205 VanDerWaalsContact O-N 3.14Å
202I98.4Very high97.8Very high0 Ų039.3 Ų39.30%021%0.21CC..Hα-helixtrans-62.6-49.7176.7-65.2161.8000110.3I173 V177 L186 L188 A198 L199 A204 H205 C206 L209 I228I173-I202 HydrophobicContact CG2-CD1 3.8Å; I173-I202 HydrophobicContact CG2-CG1 3.61Å; V177-I202 HydrophobicContact CG1-CG1 4.09Å; L186-I202 HydrophobicContact CD2-CD1 3.67Å; L186-I202 HydrophobicContact CD2-CG1 4.09Å; L188-I202 HydrophobicContact CD1-CD1 4.05Å; A198-I202 WeakPolarHBondContact O-CG1 3.35Å; A198-I202 PolarHBondContact O-N 2.69Å; L199-I202 HydrophobicContact CD2-CD1 3.98Å; L199-I202 PolarHBondContact O-N 3.1Å; L199-I202 VanDerWaalsContact O-N 3.15Å; I202-A204 VanDerWaalsContact C-N 3.26Å; I202-A204 PolarHBondContact O-N 2.92Å; I202-H205 PolarHBondContact O-N 3.26Å; I202-C206 HydrophobicContact CG2-CB 4.16Å; I202-C206 WeakPolarHBondContact O-CB 3.18Å; I202-C206 PolarHBondContact O-N 3.33Å; I202-L209 HydrophobicContact CG2-CD2 3.79Å; I202-I228 HydrophobicContact CB-CD1 3.69Å; I202-I228 HydrophobicContact CG2-CD1 3.56Å
203G97.8Very high97.9Very high10 Ų1038 Ų3810%0.10320%0.201CC..Hα-helixtrans-59.7-35.417900000112.8L199 K200 G231L199-G203 PolarHBondContact O-N 3.42Å; K200-G203 PolarHBondContact O-N 3.13Å; G203-G231 VanDerWaalsContact O-CA 3.3Å; G203-G231 WeakPolarHBondContact O-CA 3.47Å
204A97.6Very high98.1Very high71 Ų7133.1 Ų33.159%0.58718%0.178SC*.Hα-helixtrans-75.5-26.4178.600000114.4K200 Y201 I202K200-A204 WeakPolarHBondContact O-CB 3.4Å; K200-A204 PolarHBondContact O-N 2.96Å; Y201-A204 PolarHBondContact O-N 3.03Å; I202-A204 VanDerWaalsContact C-N 3.26Å; I202-A204 PolarHBondContact O-N 2.92Å
205H97.7Very high98.2Very high79 Ų7934.9 Ų34.937%0.36619%0.187SC..Hα-helixtrans-124-8.8-166.5-65.9-63.8000115.4V177 Y201 I202 P207V177-H205 HydrophobicContact CB-CB 3.87Å; V177-H205 HydrophobicContact CG2-CB 3.77Å; Y201-H205 WeakPolarHBondContact O-CB 3.37Å; Y201-H205 PolarHBondContact O-CD2 3.39Å; Y201-H205 VanDerWaalsContact O-CD2 3.26Å; Y201-H205 PolarHBondContact O-N 3.43Å; Y201-H205 VanDerWaalsContact O-N 3.14Å; I202-H205 PolarHBondContact O-N 3.26Å; H205-P207 VanDerWaalsContact C-CD 3.41Å; H205-P207 WeakPolarHBondContact O-CD 3.31Å
206C97.6Very high98.2Very high0 Ų032 Ų320%018%0.176CC..  trans-121.365.1-177.8-58.90000112.6V177 I202 E208 L209 C232V177-C206 VanDerWaalsContact CG1-SG 3.56Å; I202-C206 HydrophobicContact CG2-CB 4.16Å; I202-C206 WeakPolarHBondContact O-CB 3.18Å; I202-C206 PolarHBondContact O-N 3.33Å; C206-E208 PolarHBondContact O-N 3.39Å; C206-L209 HydrophobicContact CB-CB 4.3Å; C206-L209 VanDerWaalsContact O-CB 3.3Å; C206-L209 WeakPolarHBondContact O-CB 3.37Å; C206-L209 PolarHBondContact O-N 3.28Å; C206-C232 PolarHBondContact O-SG 3.48Å
207P97.5Very high98.1Very high68 Ų6831 Ų3144%0.44217%0.17SC..THydrogen-bonded Turntrans-67.9-18.1-179.129.6-36.4000113.6H205 L209H205-P207 VanDerWaalsContact C-CD 3.41Å; H205-P207 WeakPolarHBondContact O-CD 3.31Å; P207-L209 VanDerWaalsContact C-N 3.29Å
208E98.1Very high97.9Very high74 Ų7431.4 Ų31.435%0.34617%0.174SC..THydrogen-bonded Turntrans-86.23.4177.9-63.4-59.1130.800113.5L183 C206 V210 K234L183-E208 CarbonylContact O-C 3.27Å; C206-E208 PolarHBondContact O-N 3.39Å; E208-V210 WeakPolarHBondContact O-CG2 3.46Å; E208-V210 PolarHBondContact O-N 2.86Å; E208-K234 IonicContact OE1-NZ 3.7Å; E208-K234 PolarHBondContact OE1-NZ 3.34Å; E208-K234 IonicContact OE2-NZ 2.75Å; E208-K234 PolarHBondContact OE2-NZ 3.32Å
209L98.7Very high97.8Very high0 Ų036.7 Ų36.70%020%0.199CC..  trans-65.5124.3-176.6-163.171.7000111.2L183 L186 I202 C206 P207 L212 C232 K234 L235L183-L209 PolarHBondContact O-N 3.21Å; L186-L209 HydrophobicContact CB-CD1 4.1Å; I202-L209 HydrophobicContact CG2-CD2 3.79Å; C206-L209 HydrophobicContact CB-CB 4.3Å; C206-L209 VanDerWaalsContact O-CB 3.3Å; C206-L209 WeakPolarHBondContact O-CB 3.37Å; C206-L209 PolarHBondContact O-N 3.28Å; P207-L209 VanDerWaalsContact C-N 3.29Å; L209-L212 HydrophobicContact CD2-CB 4.08Å; L209-L212 HydrophobicContact CD2-CD1 4.42Å; L209-L212 HydrophobicContact CD2-CD2 4.35Å; L209-C232 HydrophobicContact CB-CB 4.11Å; L209-K234 CarbonylContact O-C 3.25Å; L209-L235 PolarHBondContact O-N 3.22Å
210V98.8Very high97.7Very high34 Ų3436.7 Ų36.721%0.20620%0.199CC..  trans-109.4-34.4179.91790000110.9K184 E208 Q236 S237K184-V210 WeakPolarHBondContact O-CA 3.38Å; K184-V210 PolarHBondContact O-N 2.99Å; E208-V210 WeakPolarHBondContact O-CG2 3.46Å; E208-V210 PolarHBondContact O-N 2.86Å; V210-Q236 HydrophobicContact CG1-CB 3.83Å; V210-Q236 HydrophobicContact CG1-CG 3.86Å; V210-Q236 PolarHBondContact O-N 2.67Å; V210-S237 PolarHBondContact O-N 3.22Å
211T98.9Very high97.8Very high32 Ų3235.9 Ų35.920%0.19620%0.199CC..EExtended strand (participates in β ladder)trans-131.9126.6-175.9-56.50000110.7K184 A185 L186 F187 S237K184-T211 PolarHBondContact O-N 3.45Å; A185-T211 VanDerWaalsContact CA-O 3.32Å; A185-T211 WeakPolarHBondContact CA-O 3.48Å; A185-T211 HydrophobicContact CB-CG2 4.48Å; L186-T211 PolarHBondContact N-O 3.5Å; F187-T211 HydrophobicContact CE1-CG2 3.85Å; F187-T211 HydrophobicContact CZ-CG2 3.93Å; T211-S237 WeakPolarHBondContact CA-O 3.14Å
212L98.9Very high97.8Very high0 Ų034.5 Ų34.50%020%0.195CC..EExtended strand (participates in β ladder)trans-130.6125.9174-178.459.4000109.7L186 L188 L209 L214 I228 L235 S237 L238 C239L186-L212 HydrophobicContact CB-CD1 4.24Å; L186-L212 WeakPolarHBondContact O-CA 3.47Å; L188-L212 HydrophobicContact CD1-CD1 4.27Å; L209-L212 HydrophobicContact CD2-CB 4.08Å; L209-L212 HydrophobicContact CD2-CD1 4.42Å; L209-L212 HydrophobicContact CD2-CD2 4.35Å; L212-L214 HydrophobicContact CD1-CD2 4.32Å; L212-L214 HydrophobicContact CD1-CG 4.16Å; L212-L214 HydrophobicContact CD2-CD1 3.73Å; L212-L214 HydrophobicContact CD2-CG 4.2Å; L212-L214 HydrophobicContact CG-CD1 4Å; L212-L214 HydrophobicContact CG-CG 3.94Å; L212-I228 HydrophobicContact CD2-CB 4.5Å; L212-I228 HydrophobicContact CD2-CD1 4.12Å; L212-I228 HydrophobicContact CD2-CG1 3.98Å; L212-I228 HydrophobicContact CD2-CG2 3.84Å; L212-L235 HydrophobicContact CB-CD1 4.14Å; L212-S237 PolarHBondContact N-O 3.2Å; L212-L238 HydrophobicContact CB-CD1 4.12Å; L212-L238 HydrophobicContact CD2-CD1 4.13Å; L212-L238 HydrophobicContact CG-CD1 4.21Å; L212-L238 WeakPolarHBondContact O-CA 3.38Å; L212-C239 PolarHBondContact O-N 3.03Å
213N98.8Very high97.8Very high26 Ų2638.3 Ų38.314%0.13922%0.216CC..EExtended strand (participates in β ladder)trans-118.8116.6173.2-172.4-34000110L186 F187 L188 Q215 C239L186-N213 PolarHBondContact O-N 2.93Å; F187-N213 HydrophobicContact CB-CB 4.36Å; F187-N213 HydrophobicContact CD1-CB 3.68Å; F187-N213 HydrophobicContact CE1-CB 4.49Å; F187-N213 HydrophobicContact CG-CB 4.42Å; L188-N213 CarbonylContact C-O 3.36Å; L188-N213 WeakPolarHBondContact CA-O 3.37Å; L188-N213 WeakPolarHBondContact CB-O 3.27Å; L188-N213 PolarHBondContact N-O 2.63Å; N213-Q215 VanDerWaalsContact OD1-CB 3.25Å; N213-Q215 WeakPolarHBondContact OD1-CB 3.33Å; N213-Q215 PolarHBondContact OD1-N 3.46Å; N213-C239 HydrophobicContact CB-CB 4.28Å
214L98.5Very high97.8Very high0 Ų037.8 Ų37.80%021%0.211CC..  trans-119.720.8-179.6-66.8166.4000111.3L188 L199 L212 T216 C217 L225 C239 C243L188-L214 HydrophobicContact CB-CD2 4.19Å; L188-L214 HydrophobicContact CD1-CD2 3.8Å; L199-L214 HydrophobicContact CD1-CD1 3.91Å; L199-L214 HydrophobicContact CD2-CD1 4.01Å; L199-L214 HydrophobicContact CD2-CD2 3.77Å; L212-L214 HydrophobicContact CD1-CD2 4.32Å; L212-L214 HydrophobicContact CD1-CG 4.16Å; L212-L214 HydrophobicContact CD2-CD1 3.73Å; L212-L214 HydrophobicContact CD2-CG 4.2Å; L212-L214 HydrophobicContact CG-CD1 4Å; L212-L214 HydrophobicContact CG-CG 3.94Å; L214-T216 PolarHBondContact O-N 3.09Å; L214-C217 HydrophobicContact CB-CB 4.36Å; L214-C217 VanDerWaalsContact O-CB 3.29Å; L214-C217 WeakPolarHBondContact O-CB 3.09Å; L214-C217 PolarHBondContact O-N 3Å; L214-L225 HydrophobicContact CD1-CD2 3.62Å; L214-C239 WeakPolarHBondContact CA-O 3.5Å; L214-C239 PolarHBondContact N-O 3.44Å; L214-C243 PolarHBondContact O-SG 2.8Å
215Q98.4Very high97.8Very high37 Ų3734.5 Ų34.517%0.17318%0.183CC..THydrogen-bonded Turntrans-53.1128.3-176.6179.9176.57.400110.5K189 G190 N213 C217 S241K189-Q215 CarbonylContact C-O 3.47Å; K189-Q215 VanDerWaalsContact CA-O 3.31Å; K189-Q215 WeakPolarHBondContact CA-O 3.2Å; K189-Q215 HydrophobicContact CB-CB 4.14Å; K189-Q215 HydrophobicContact CD-CB 4.19Å; K189-Q215 HydrophobicContact CD-CG 4.33Å; K189-Q215 VanDerWaalsContact CE-OE1 3.27Å; K189-Q215 HydrophobicContact CG-CB 3.92Å; K189-Q215 HydrophobicContact CG-CG 4.3Å; G190-Q215 PolarHBondContact N-O 3.4Å; N213-Q215 VanDerWaalsContact OD1-CB 3.25Å; N213-Q215 WeakPolarHBondContact OD1-CB 3.33Å; N213-Q215 PolarHBondContact OD1-N 3.46Å; Q215-C217 PolarHBondContact O-N 3.18Å; Q215-S241 CarbonylContact C-O 3.48Å; Q215-S241 VanDerWaalsContact CA-O 3.26Å; Q215-S241 WeakPolarHBondContact CA-O 3.3Å; Q215-S241 WeakPolarHBondContact CG-O 3.39Å
216T96.4Very high97.8Very high35 Ų3532.2 Ų32.222%0.21517%0.173CC..THydrogen-bonded Turntrans63.623.4179.7-43.90000114.1L214 L218 S241L214-T216 PolarHBondContact O-N 3.09Å; T216-L218 HydrophobicContact CG2-CD2 4.18Å; T216-L218 PolarHBondContact O-N 3.44Å; T216-S241 PolarHBondContact N-O 3.28Å
217C96.3Very high97.9Very high0 Ų033.7 Ų33.70%018%0.182CC..  trans-83.281.7166.1-69.70000110.3L188 C191 L214 Q215 Q219 I220 C243L188-C217 PolarHBondContact O-SG 3.42Å; C191-C217 PolarHBondContact O-SG 3.2Å; L214-C217 HydrophobicContact CB-CB 4.36Å; L214-C217 VanDerWaalsContact O-CB 3.29Å; L214-C217 WeakPolarHBondContact O-CB 3.09Å; L214-C217 PolarHBondContact O-N 3Å; Q215-C217 PolarHBondContact O-N 3.18Å; C217-Q219 VanDerWaalsContact C-N 3.25Å; C217-Q219 PolarHBondContact O-N 3.47Å; C217-Q219 VanDerWaalsContact O-N 3.11Å; C217-I220 HydrophobicContact CB-CG1 3.69Å; C217-I220 WeakPolarHBondContact O-CB 3.45Å; C217-I220 PolarHBondContact O-N 2.9Å; C217-I220 VanDerWaalsContact O-N 3.16Å; C217-C243 PolarHBondContact O-SG 2.99Å
218L94.1Very high97.9Very high75 Ų7530.5 Ų30.539%0.39316%0.162SC..THydrogen-bonded Turntrans-63.3-21-165.5-55179.2000115.8T216 G242 N245T216-L218 HydrophobicContact CG2-CD2 4.18Å; T216-L218 PolarHBondContact O-N 3.44Å; L218-G242 WeakPolarHBondContact CD2-O 3.43Å; L218-N245 PolarHBondContact O-ND2 2.83Å; L218-N245 VanDerWaalsContact O-ND2 3.12Å
219Q95.9Very high97.9Very high111 Ų11127 Ų2752%0.51915%0.145SC..BIsolated β-bridgetrans-92.72.5-178.5-54.8-60.7-40.600113.4L194 E195 C217L194-Q219 WeakPolarHBondContact O-CB 3.27Å; E195-Q219 HydrophobicContact CG-CB 3.99Å; C217-Q219 VanDerWaalsContact C-N 3.25Å; C217-Q219 PolarHBondContact O-N 3.47Å; C217-Q219 VanDerWaalsContact O-N 3.11Å
220I97.4Very high97.9Very high0 Ų034.8 Ų34.80%018%0.175CC..  trans-82.3136.6177.6-62.2-54.6000110.5L194 E195 L199 C217 L225L194-I220 WeakPolarHBondContact O-CD1 3.46Å; E195-I220 VanDerWaalsContact C-CD1 3.44Å; L199-I220 HydrophobicContact CD1-CD1 3.8Å; L199-I220 HydrophobicContact CD1-CG1 4.28Å; L199-I220 HydrophobicContact CD1-CG2 3.56Å; L199-I220 HydrophobicContact CD2-CD1 4.39Å; L199-I220 HydrophobicContact CG-CD1 3.83Å; C217-I220 HydrophobicContact CB-CG1 3.69Å; C217-I220 WeakPolarHBondContact O-CB 3.45Å; C217-I220 PolarHBondContact O-N 2.9Å; C217-I220 VanDerWaalsContact O-N 3.16Å; I220-L225 HydrophobicContact CG2-CD1 4.19Å; I220-L225 HydrophobicContact CG2-CG 3.95Å
221T98.4Very high97.8Very high45 Ų4534.1 Ų34.128%0.27618%0.175SC..BIsolated β-bridgetrans-125.7-176.1177.284.40000111.5D196 D223 L225 N245D196-T221 PolarHBondContact OD1-N 2.93Å; D196-T221 WeakPolarHBondContact OD2-CB 3.44Å; D196-T221 PolarHBondContact OD2-OG1 3.45Å; T221-D223 PolarHBondContact O-N 3.02Å; T221-D223 PolarHBondContact OG1-N 3.45Å; T221-L225 PolarHBondContact O-N 3.09Å; T221-N245 HydrophobicContact CG2-CB 4.1Å
222D98.4Very high97.8Very high27 Ų2732.6 Ų32.614%0.14417%0.165CC..Hα-helixtrans-55.2-38174-60.6-22.6000112.8G224 L225 I226 I246 T247 A249 I250D222-G224 PolarHBondContact O-N 3.26Å; D222-L225 PolarHBondContact O-N 3.07Å; D222-I226 HydrophobicContact CB-CD1 4.11Å; D222-I226 VanDerWaalsContact O-CB 3.28Å; D222-I226 WeakPolarHBondContact O-CB 3.46Å; D222-I226 WeakPolarHBondContact O-CD1 3.43Å; D222-I226 WeakPolarHBondContact O-CG1 3.45Å; D222-I226 PolarHBondContact O-N 3.12Å; D222-I246 WeakPolarHBondContact OD1-CA 3.38Å; D222-T247 PolarHBondContact OD1-N 3.3Å; D222-T247 WeakPolarHBondContact OD2-CB 3.44Å; D222-T247 WeakPolarHBondContact OD2-CG2 3.29Å; D222-T247 PolarHBondContact OD2-N 3.24Å; D222-T247 PolarHBondContact OD2-OG1 3.4Å; D222-A249 HydrophobicContact CB-CB 4.2Å; D222-I250 HydrophobicContact CB-CG2 3.98Å; D222-I250 WeakPolarHBondContact OD1-CG2 3.3Å
223D98.3Very high97.7Very high80 Ų8037.3 Ų37.343%0.42819%0.187SC..Hα-helixtrans-58.7-49.7-175.6-17559.5000111.3K200 T221 T227K200-D223 WeakPolarHBondContact CE-OD2 3.24Å; K200-D223 IonicContact NZ-OD2 2.82Å; K200-D223 PolarHBondContact NZ-OD2 3.31Å; T221-D223 PolarHBondContact O-N 3.02Å; T221-D223 PolarHBondContact OG1-N 3.45Å; D223-T227 VanDerWaalsContact O-CG2 3.29Å; D223-T227 WeakPolarHBondContact O-CG2 3.46Å; D223-T227 PolarHBondContact O-N 2.91Å
224G98.1Very high97.7Very high0 Ų039.9 Ų39.90%020%0.197CC..Hα-helixtrans-64-49.1178.300000112.1D196 L199 D222 I226 T227 I228D196-G224 VanDerWaalsContact CG-N 3.32Å; D196-G224 WeakPolarHBondContact OD1-CA 3.3Å; D196-G224 PolarHBondContact OD1-N 2.75Å; L199-G224 WeakPolarHBondContact CB-O 3.41Å; D222-G224 PolarHBondContact O-N 3.26Å; G224-I226 PolarHBondContact O-N 3.3Å; G224-T227 PolarHBondContact O-N 3.19Å; G224-T227 VanDerWaalsContact O-N 3.15Å; G224-T227 PolarHBondContact O-OG1 3.38Å; G224-I228 PolarHBondContact O-N 3.26Å
225L98.4Very high97.7Very high1 Ų139.9 Ų39.91%0.00520%0.197CC..Hα-helixtrans-65.8-35.1-178.6-78.9172.2000113.2L199 L214 I220 T221 D222 T227 I228 C229 L238 A240 I246 I250L199-L225 HydrophobicContact CD1-CD2 4.14Å; L199-L225 HydrophobicContact CD1-CG 4.14Å; L214-L225 HydrophobicContact CD1-CD2 3.62Å; I220-L225 HydrophobicContact CG2-CD1 4.19Å; I220-L225 HydrophobicContact CG2-CG 3.95Å; T221-L225 PolarHBondContact O-N 3.09Å; D222-L225 PolarHBondContact O-N 3.07Å; L225-T227 PolarHBondContact O-N 3.1Å; L225-I228 WeakPolarHBondContact O-CB 3.4Å; L225-I228 PolarHBondContact O-N 3.49Å; L225-I228 VanDerWaalsContact O-N 3.15Å; L225-C229 PolarHBondContact O-N 2.66Å; L225-C229 PolarHBondContact O-SG 3.13Å; L225-L238 HydrophobicContact CD2-CD1 4.17Å; L225-L238 HydrophobicContact CD2-CD2 4.35Å; L225-A240 HydrophobicContact CD1-CB 4.29Å; L225-I246 HydrophobicContact CD1-CG2 3.73Å; L225-I250 HydrophobicContact CB-CB 4.47Å; L225-I250 HydrophobicContact CB-CG2 4.4Å; L225-I250 HydrophobicContact CD1-CG2 4.27Å
226I98.6Very high97.7Very high31 Ų3140.7 Ų40.716%0.15920%0.201CC..Hα-helixtrans-62-36.9174.9-71.6166.9000110.3D222 G224 I228 C229 R230 A249 A253D222-I226 HydrophobicContact CB-CD1 4.11Å; D222-I226 VanDerWaalsContact O-CB 3.28Å; D222-I226 WeakPolarHBondContact O-CB 3.46Å; D222-I226 WeakPolarHBondContact O-CD1 3.43Å; D222-I226 WeakPolarHBondContact O-CG1 3.45Å; D222-I226 PolarHBondContact O-N 3.12Å; G224-I226 PolarHBondContact O-N 3.3Å; I226-I228 VanDerWaalsContact C-N 3.34Å; I226-C229 PolarHBondContact O-N 3.28Å; I226-R230 HydrophobicContact CG2-CG 4.48Å; I226-R230 WeakPolarHBondContact O-CG 3.39Å; I226-R230 PolarHBondContact O-N 3.25Å; I226-A249 HydrophobicContact CD1-CB 4.36Å; I226-A253 HydrophobicContact CB-CB 4.43Å; I226-A253 HydrophobicContact CG1-CB 3.76Å; I226-A253 HydrophobicContact CG2-CB 4.43Å
227T98.3Very high97.9Very high31 Ų3140 Ų4019%0.1920%0.198CC..Hα-helixtrans-66.7-35.5175.571.10000112.6K200 D223 G224 L225 R230 G231K200-T227 WeakPolarHBondContact CA-OG1 3.48Å; K200-T227 HydrophobicContact CG-CG2 3.75Å; K200-T227 PolarHBondContact N-OG1 3.12Å; D223-T227 VanDerWaalsContact O-CG2 3.29Å; D223-T227 WeakPolarHBondContact O-CG2 3.46Å; D223-T227 PolarHBondContact O-N 2.91Å; G224-T227 PolarHBondContact O-N 3.19Å; G224-T227 VanDerWaalsContact O-N 3.15Å; G224-T227 PolarHBondContact O-OG1 3.38Å; L225-T227 PolarHBondContact O-N 3.1Å; T227-R230 PolarHBondContact O-N 3.11Å; T227-G231 PolarHBondContact O-N 3.17Å
228I98.6Very high98Very high1 Ų140.1 Ų40.11%0.00520%0.198CC..Hα-helixtrans-61.1-49.1170.2-59.8-62.8000110.2L199 I202 L212 G224 L225 I226 R230 G231 C232 L235L199-I228 HydrophobicContact CB-CD1 4.01Å; L199-I228 HydrophobicContact CB-CG1 3.98Å; L199-I228 HydrophobicContact CD1-CG1 4.32Å; L199-I228 HydrophobicContact CD2-CD1 4.38Å; L199-I228 HydrophobicContact CD2-CG1 4.49Å; L199-I228 HydrophobicContact CG-CG1 4.49Å; L199-I228 VanDerWaalsContact O-CD1 3.3Å; L199-I228 WeakPolarHBondContact O-CD1 3.41Å; I202-I228 HydrophobicContact CB-CD1 3.69Å; I202-I228 HydrophobicContact CG2-CD1 3.56Å; L212-I228 HydrophobicContact CD2-CB 4.5Å; L212-I228 HydrophobicContact CD2-CD1 4.12Å; L212-I228 HydrophobicContact CD2-CG1 3.98Å; L212-I228 HydrophobicContact CD2-CG2 3.84Å; G224-I228 PolarHBondContact O-N 3.26Å; L225-I228 WeakPolarHBondContact O-CB 3.4Å; L225-I228 PolarHBondContact O-N 3.49Å; L225-I228 VanDerWaalsContact O-N 3.15Å; I226-I228 VanDerWaalsContact C-N 3.34Å; I228-R230 VanDerWaalsContact C-N 3.27Å; I228-R230 PolarHBondContact O-N 3.5Å; I228-G231 PolarHBondContact O-N 2.71Å; I228-G231 VanDerWaalsContact O-N 3.16Å; I228-C232 HydrophobicContact CG2-CB 4.17Å; I228-C232 VanDerWaalsContact O-CB 3.26Å; I228-C232 WeakPolarHBondContact O-CB 3.48Å; I228-C232 PolarHBondContact O-N 3.14Å; I228-L235 HydrophobicContact CG2-CD2 4.31Å
229C98.2Very high98.2Very high1 Ų136.7 Ų36.71%0.00718%0.18CC..Hα-helixtrans-57.2-43.1-179.3-61.20000111.4L225 I226 A253 N257L225-C229 PolarHBondContact O-N 2.66Å; L225-C229 PolarHBondContact O-SG 3.13Å; I226-C229 PolarHBondContact O-N 3.28Å; C229-A253 HydrophobicContact CB-CB 4.09Å; C229-N257 HydrophobicContact CB-CB 4.2Å; C229-N257 WeakPolarHBondContact O-CB 3.35Å
230R98Very high98.3Very high163 Ų16331.4 Ų31.462%0.61516%0.156SC*.Hα-helixtrans-73.2-24.7-179.6-70.7175.7179.2164.72.5114.3I226 T227 I228 H233I226-R230 HydrophobicContact CG2-CG 4.48Å; I226-R230 WeakPolarHBondContact O-CG 3.39Å; I226-R230 PolarHBondContact O-N 3.25Å; T227-R230 PolarHBondContact O-N 3.11Å; I228-R230 VanDerWaalsContact C-N 3.27Å; I228-R230 PolarHBondContact O-N 3.5Å; R230-H233 PolarHBondContact O-CE1 3.31Å; R230-H233 VanDerWaalsContact O-CE1 3.24Å; R230-H233 PolarHBondContact O-NE2 2.76Å; R230-H233 VanDerWaalsContact O-NE2 3.16Å
231G97.6Very high98.4Very high20 Ų2031.6 Ų31.621%0.20616%0.157CC..Hα-helixtrans-99.1-30.6-178.200000114.5G203 T227 I228G203-G231 VanDerWaalsContact O-CA 3.3Å; G203-G231 WeakPolarHBondContact O-CA 3.47Å; T227-G231 PolarHBondContact O-N 3.17Å; I228-G231 PolarHBondContact O-N 2.71Å; I228-G231 VanDerWaalsContact O-N 3.16Å
232C98.1Very high98.3Very high0 Ų029.9 Ų29.90%015%0.149CC..  trans-11465.5-168.7-56.50000111.5C206 L209 I228 K234 L235C206-C232 PolarHBondContact O-SG 3.48Å; L209-C232 HydrophobicContact CB-CB 4.11Å; I228-C232 HydrophobicContact CG2-CB 4.17Å; I228-C232 VanDerWaalsContact O-CB 3.26Å; I228-C232 WeakPolarHBondContact O-CB 3.48Å; I228-C232 PolarHBondContact O-N 3.14Å; C232-K234 PolarHBondContact O-N 3.11Å; C232-L235 VanDerWaalsContact O-CB 3.28Å; C232-L235 WeakPolarHBondContact O-CB 3.45Å; C232-L235 PolarHBondContact O-N 2.63Å; C232-L235 VanDerWaalsContact O-N 3.1Å
233H97.4Very high98.2Very high99 Ų9928.6 Ų28.646%0.45814%0.142SC..THydrogen-bonded Turntrans-65.6-11.3-177.7-57.8-59.5000115.1R230 L235 N257R230-H233 PolarHBondContact O-CE1 3.31Å; R230-H233 VanDerWaalsContact O-CE1 3.24Å; R230-H233 PolarHBondContact O-NE2 2.76Å; R230-H233 VanDerWaalsContact O-NE2 3.16Å; H233-L235 VanDerWaalsContact C-N 3.33Å; H233-N257 PolarHBondContact ND1-O 3.23Å; H233-N257 VanDerWaalsContact ND1-O 3.14Å
234K98.3Very high97.9Very high80 Ų8027.2 Ų27.235%0.34814%0.139SC..THydrogen-bonded Turntrans-89.62.8176.4-64.5-175179.6172.10113.3E208 L209 C232 Q236E208-K234 IonicContact OE1-NZ 3.7Å; E208-K234 PolarHBondContact OE1-NZ 3.34Å; E208-K234 IonicContact OE2-NZ 2.75Å; E208-K234 PolarHBondContact OE2-NZ 3.32Å; L209-K234 CarbonylContact O-C 3.25Å; C232-K234 PolarHBondContact O-N 3.11Å; K234-Q236 PolarHBondContact O-N 3.16Å
235L98.7Very high97.8Very high0 Ų030.6 Ų30.60%016%0.157CC..  trans-59.2126-178.2-164.370.8000110.8L209 L212 I228 C232 H233 L238 L254L209-L235 PolarHBondContact O-N 3.22Å; L212-L235 HydrophobicContact CB-CD1 4.14Å; I228-L235 HydrophobicContact CG2-CD2 4.31Å; C232-L235 VanDerWaalsContact O-CB 3.28Å; C232-L235 WeakPolarHBondContact O-CB 3.45Å; C232-L235 PolarHBondContact O-N 2.63Å; C232-L235 VanDerWaalsContact O-N 3.1Å; H233-L235 VanDerWaalsContact C-N 3.33Å; L235-L238 HydrophobicContact CD2-CB 4.18Å; L235-L254 HydrophobicContact CD2-CD2 4.32Å
236Q98.8Very high97.7Very high55 Ų5530.6 Ų30.626%0.25716%0.156SC..  trans-117.6-26.3177.1-64.3179.125.900111.9V210 K234 R260 R262 I263V210-Q236 HydrophobicContact CG1-CB 3.83Å; V210-Q236 HydrophobicContact CG1-CG 3.86Å; V210-Q236 PolarHBondContact O-N 2.67Å; K234-Q236 PolarHBondContact O-N 3.16Å; Q236-R260 HydrophobicContact CG-CB 4.32Å; Q236-R260 WeakPolarHBondContact CG-O 3.46Å; Q236-R262 WeakPolarHBondContact O-CA 3.4Å; Q236-R262 PolarHBondContact O-N 3.16Å; Q236-I263 PolarHBondContact O-N 3.48Å
237S98.9Very high97.7Very high21 Ų2131.1 Ų31.115%0.14716%0.161CC..EExtended strand (participates in β ladder)trans-134.4119.5-177.7-178.80000110.5V210 T211 L212 I263V210-S237 PolarHBondContact O-N 3.22Å; T211-S237 WeakPolarHBondContact CA-O 3.14Å; L212-S237 PolarHBondContact N-O 3.2Å; S237-I263 WeakPolarHBondContact CA-O 3.22Å
238L98.9Very high97.8Very high1 Ų131.1 Ų31.11%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-125123.3173.4179.362.9000109.8L212 L225 L235 I250 L254 L261 I263 L264 E265L212-L238 HydrophobicContact CB-CD1 4.12Å; L212-L238 HydrophobicContact CD2-CD1 4.13Å; L212-L238 HydrophobicContact CG-CD1 4.21Å; L212-L238 WeakPolarHBondContact O-CA 3.38Å; L225-L238 HydrophobicContact CD2-CD1 4.17Å; L225-L238 HydrophobicContact CD2-CD2 4.35Å; L235-L238 HydrophobicContact CD2-CB 4.18Å; L238-I250 HydrophobicContact CD2-CD1 4.41Å; L238-L254 HydrophobicContact CD2-CD1 4.07Å; L238-L254 HydrophobicContact CD2-CD2 4.01Å; L238-L261 HydrophobicContact CB-CD1 4.39Å; L238-I263 PolarHBondContact N-O 3.03Å; L238-L264 HydrophobicContact CB-CD1 4.29Å; L238-L264 HydrophobicContact CD2-CD1 4.24Å; L238-L264 HydrophobicContact CG-CD1 4.44Å; L238-L264 WeakPolarHBondContact O-CA 3.25Å; L238-E265 PolarHBondContact O-N 3.13Å
239C98.8Very high97.8Very high3 Ų332.9 Ų32.92%0.0218%0.175CC..EExtended strand (participates in β ladder)trans-112.6115.5166.4-177.60000108.7L212 N213 L214 E265L212-C239 PolarHBondContact O-N 3.03Å; N213-C239 HydrophobicContact CB-CB 4.28Å; L214-C239 WeakPolarHBondContact CA-O 3.5Å; L214-C239 PolarHBondContact N-O 3.44Å; C239-E265 CarbonylContact C-O 3.51Å; C239-E265 WeakPolarHBondContact CA-O 3.39Å; C239-E265 HydrophobicContact CB-CB 4.04Å; C239-E265 WeakPolarHBondContact CB-OE2 3.48Å; C239-E265 PolarHBondContact SG-OE2 2.96Å
240A98.4Very high97.7Very high0 Ų032.8 Ų32.80%017%0.174CC..  trans-12323174.400000111L225 G242 C243 I246 E265 V266 C269L225-A240 HydrophobicContact CD1-CB 4.29Å; A240-G242 PolarHBondContact O-N 2.96Å; A240-C243 WeakPolarHBondContact O-CB 3.38Å; A240-C243 PolarHBondContact O-N 2.78Å; A240-C243 PolarHBondContact O-SG 3.04Å; A240-I246 HydrophobicContact CB-CD1 4.16Å; A240-E265 PolarHBondContact N-O 2.77Å; A240-V266 HydrophobicContact CB-CG1 4.47Å; A240-C269 PolarHBondContact O-SG 2.95Å; A240-C269 VanDerWaalsContact O-SG 3.41Å
241S98.5Very high97.8Very high4 Ų425 Ų253%0.02815%0.145CC..THydrogen-bonded Turntrans-61.1133-177.6-60.60000111.7Q215 T216 C243 E265 V266 A267Q215-S241 CarbonylContact C-O 3.48Å; Q215-S241 VanDerWaalsContact CA-O 3.26Å; Q215-S241 WeakPolarHBondContact CA-O 3.3Å; Q215-S241 WeakPolarHBondContact CG-O 3.39Å; T216-S241 PolarHBondContact N-O 3.28Å; S241-C243 VanDerWaalsContact C-N 3.26Å; S241-C243 PolarHBondContact O-N 3.01Å; S241-E265 PolarHBondContact N-O 2.97Å; S241-E265 VanDerWaalsContact N-O 3.17Å; S241-E265 PolarHBondContact OG-O 3.04Å; S241-V266 PolarHBondContact OG-N 3.11Å; S241-A267 CarbonylContact C-O 3.14Å; S241-A267 WeakPolarHBondContact CA-O 3.47Å; S241-A267 PolarHBondContact OG-N 2.88Å; S241-A267 VanDerWaalsContact OG-N 3.13Å
242G96.8Very high97.8Very high10 Ų1027.2 Ų27.210%0.10315%0.152CC..THydrogen-bonded Turntrans77.73.2-174.900000114.7L218 A240 S244 A267L218-G242 WeakPolarHBondContact CD2-O 3.43Å; A240-G242 PolarHBondContact O-N 2.96Å; G242-S244 PolarHBondContact O-N 2.96Å; G242-A267 PolarHBondContact N-O 3.04Å
243C96.2Very high97.8Very high0 Ų027.5 Ų27.50%016%0.155CC..  trans-81.184.1166.3-60.70000108.7L214 C217 A240 S241 N245 I246 C269L214-C243 PolarHBondContact O-SG 2.8Å; C217-C243 PolarHBondContact O-SG 2.99Å; A240-C243 WeakPolarHBondContact O-CB 3.38Å; A240-C243 PolarHBondContact O-N 2.78Å; A240-C243 PolarHBondContact O-SG 3.04Å; S241-C243 VanDerWaalsContact C-N 3.26Å; S241-C243 PolarHBondContact O-N 3.01Å; C243-N245 PolarHBondContact O-N 2.89Å; C243-N245 VanDerWaalsContact O-N 3.15Å; C243-I246 HydrophobicContact CB-CG2 3.97Å; C243-I246 WeakPolarHBondContact O-CG1 3.43Å; C243-I246 PolarHBondContact O-N 2.77Å; C243-C269 PolarHBondContact O-SG 3.11Å
244S92.4Very high97.9Very high51 Ų5122.8 Ų22.836%0.35713%0.133SC..THydrogen-bonded Turntrans-70.2-8.5-171.358.20000115.4G242 Q271G242-S244 PolarHBondContact O-N 2.96Å; S244-Q271 PolarHBondContact O-NE2 3.32Å
245N95.3Very high97.8Very high71 Ų7119.2 Ų19.238%0.3812%0.118SC..BIsolated β-bridgetrans-96.812.3-177-62.5-35.5000113.3L218 T221 C243L218-N245 PolarHBondContact O-ND2 2.83Å; L218-N245 VanDerWaalsContact O-ND2 3.12Å; T221-N245 HydrophobicContact CG2-CB 4.1Å; C243-N245 PolarHBondContact O-N 2.89Å; C243-N245 VanDerWaalsContact O-N 3.15Å
246I97.8Very high97.8Very high0 Ų025.1 Ų25.10%015%0.146CC..  trans-96.2144.6177.975.3179.7000111.2D222 L225 A240 C243 I250 V266 C269 Q271 L272D222-I246 WeakPolarHBondContact OD1-CA 3.38Å; L225-I246 HydrophobicContact CD1-CG2 3.73Å; A240-I246 HydrophobicContact CB-CD1 4.16Å; C243-I246 HydrophobicContact CB-CG2 3.97Å; C243-I246 WeakPolarHBondContact O-CG1 3.43Å; C243-I246 PolarHBondContact O-N 2.77Å; I246-I250 HydrophobicContact CB-CG2 3.98Å; I246-I250 HydrophobicContact CD1-CG1 4.48Å; I246-I250 HydrophobicContact CG2-CG2 4.49Å; I246-V266 HydrophobicContact CD1-CG1 4.24Å; I246-C269 HydrophobicContact CD1-CB 3.92Å; I246-C269 WeakPolarHBondContact CD1-SG 3.38Å; I246-C269 HydrophobicContact CG1-CB 3.87Å; I246-Q271 WeakPolarHBondContact O-CB 3.43Å; I246-L272 HydrophobicContact CD1-CD1 4.41Å; I246-L272 HydrophobicContact CG1-CD2 4.27Å
247T98.5Very high97.7Very high42 Ų4224.2 Ų24.226%0.25814%0.143SC..  trans-125.1-177.4-179.379.20000111.8D222 A249 I250 Q271 L272D222-T247 PolarHBondContact OD1-N 3.3Å; D222-T247 WeakPolarHBondContact OD2-CB 3.44Å; D222-T247 WeakPolarHBondContact OD2-CG2 3.29Å; D222-T247 PolarHBondContact OD2-N 3.24Å; D222-T247 PolarHBondContact OD2-OG1 3.4Å; T247-A249 PolarHBondContact O-N 3.43Å; T247-A249 PolarHBondContact OG1-N 3.14Å; T247-I250 PolarHBondContact O-N 3.19Å; T247-I250 VanDerWaalsContact O-N 3.12Å; T247-Q271 HydrophobicContact CG2-CB 4.35Å; T247-L272 WeakPolarHBondContact O-CD2 3.39Å
248D98.6Very high97.7Very high31 Ų3123.2 Ų23.217%0.16614%0.136CC..Hα-helixtrans-55.5-17.7174.7-70.9-15.7000113.9I250 L251 N252 T273 G276D248-I250 VanDerWaalsContact C-N 3.26Å; D248-I250 PolarHBondContact O-N 3.15Å; D248-L251 PolarHBondContact O-N 3Å; D248-L251 VanDerWaalsContact O-N 3.16Å; D248-N252 PolarHBondContact O-N 2.82Å; D248-T273 PolarHBondContact OD1-N 3.24Å; D248-T273 PolarHBondContact OD2-OG1 2.82Å; D248-G276 VanDerWaalsContact CG-N 3.34Å; D248-G276 PolarHBondContact OD2-N 3.21Å
249A98.6Very high97.6Very high38 Ų3826.7 Ų26.731%0.31416%0.159SC..Hα-helixtrans-57.1-38.1174.600000112.5D222 I226 T247 A253D222-A249 HydrophobicContact CB-CB 4.2Å; I226-A249 HydrophobicContact CD1-CB 4.36Å; T247-A249 PolarHBondContact O-N 3.43Å; T247-A249 PolarHBondContact OG1-N 3.14Å; A249-A253 PolarHBondContact O-N 2.94Å
250I98.1Very high97.5Very high0 Ų033.1 Ų33.10%018%0.182CC..Hα-helixtrans-70.6-40177.498.983.3000110.6D222 L225 L238 I246 T247 D248 N252 A253 L254D222-I250 HydrophobicContact CB-CG2 3.98Å; D222-I250 WeakPolarHBondContact OD1-CG2 3.3Å; L225-I250 HydrophobicContact CB-CB 4.47Å; L225-I250 HydrophobicContact CB-CG2 4.4Å; L225-I250 HydrophobicContact CD1-CG2 4.27Å; L238-I250 HydrophobicContact CD2-CD1 4.41Å; I246-I250 HydrophobicContact CB-CG2 3.98Å; I246-I250 HydrophobicContact CD1-CG1 4.48Å; I246-I250 HydrophobicContact CG2-CG2 4.49Å; T247-I250 PolarHBondContact O-N 3.19Å; T247-I250 VanDerWaalsContact O-N 3.12Å; D248-I250 VanDerWaalsContact C-N 3.26Å; D248-I250 PolarHBondContact O-N 3.15Å; I250-N252 VanDerWaalsContact C-N 3.29Å; I250-N252 PolarHBondContact O-N 2.83Å; I250-A253 PolarHBondContact O-N 3Å; I250-A253 VanDerWaalsContact O-N 3.1Å; I250-L254 HydrophobicContact CD1-CD1 3.25Å; I250-L254 HydrophobicContact CD1-CG 3.7Å; I250-L254 WeakPolarHBondContact O-CG 3.44Å; I250-L254 PolarHBondContact O-N 2.93Å
251L98.6Very high97.5Very high0 Ų033.1 Ų33.10%018%0.182CC..Hα-helixtrans-64.2-38.6-179.3-62.4-177.1000110.8D248 L254 G255 L264 L272 G276 F277 L280D248-L251 PolarHBondContact O-N 3Å; D248-L251 VanDerWaalsContact O-N 3.16Å; L251-L254 HydrophobicContact CD2-CD1 4.43Å; L251-G255 PolarHBondContact O-N 2.96Å; L251-L264 HydrophobicContact CD2-CD2 3.93Å; L251-L272 HydrophobicContact CD1-CB 4.37Å; L251-L272 HydrophobicContact CD1-CD1 4.33Å; L251-L272 HydrophobicContact CD1-CD2 3.9Å; L251-L272 HydrophobicContact CD1-CG 4.43Å; L251-L272 HydrophobicContact CG-CD2 4.09Å; L251-G276 WeakPolarHBondContact CB-O 3.45Å; L251-F277 HydrophobicContact CD1-CD1 3.85Å; L251-F277 HydrophobicContact CD1-CD2 4.1Å; L251-F277 HydrophobicContact CD1-CE1 3.81Å; L251-F277 HydrophobicContact CD1-CE2 4.07Å; L251-F277 HydrophobicContact CD1-CG 3.98Å; L251-F277 HydrophobicContact CD1-CZ 3.92Å; L251-F277 HydrophobicContact CD2-CE1 4.21Å; L251-L280 HydrophobicContact CB-CB 4.45Å; L251-L280 HydrophobicContact CD2-CD2 4.34Å
252N98.3Very high97.5Very high65 Ų6537.1 Ų37.135%0.34820%0.197SC..Hα-helixtrans-62.6-45.8170.6-179.240.1000111.9D248 I250 G255 Q256 T279D248-N252 PolarHBondContact O-N 2.82Å; I250-N252 VanDerWaalsContact C-N 3.29Å; I250-N252 PolarHBondContact O-N 2.83Å; N252-G255 PolarHBondContact O-N 3.29Å; N252-Q256 PolarHBondContact ND2-NE2 3.1Å; N252-Q256 WeakPolarHBondContact O-CG 3.45Å; N252-Q256 PolarHBondContact O-N 2.96Å; N252-Q256 PolarHBondContact OD1-NE2 2.98Å; N252-T279 HydrophobicContact CB-CG2 4.22Å; N252-T279 WeakPolarHBondContact OD1-CG2 3.5Å
253A98.5Very high97.6Very high7 Ų739 Ų396%0.05820%0.204CC..Hα-helixtrans-65.1-39.517900000113.1I226 C229 A249 I250 Q256 N257I226-A253 HydrophobicContact CB-CB 4.43Å; I226-A253 HydrophobicContact CG1-CB 3.76Å; I226-A253 HydrophobicContact CG2-CB 4.43Å; C229-A253 HydrophobicContact CB-CB 4.09Å; A249-A253 PolarHBondContact O-N 2.94Å; I250-A253 PolarHBondContact O-N 3Å; I250-A253 VanDerWaalsContact O-N 3.1Å; A253-Q256 PolarHBondContact O-N 3.02Å; A253-N257 WeakPolarHBondContact O-CB 3.27Å; A253-N257 PolarHBondContact O-N 3.02Å; A253-N257 PolarHBondContact O-ND2 2.92Å
254L98.5Very high97.8Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-60.1-49.7172.3-77.9177.9000110.9L235 L238 I250 L251 Q256 N257 C258 L261 L264 L280L235-L254 HydrophobicContact CD2-CD2 4.32Å; L238-L254 HydrophobicContact CD2-CD1 4.07Å; L238-L254 HydrophobicContact CD2-CD2 4.01Å; I250-L254 HydrophobicContact CD1-CD1 3.25Å; I250-L254 HydrophobicContact CD1-CG 3.7Å; I250-L254 WeakPolarHBondContact O-CG 3.44Å; I250-L254 PolarHBondContact O-N 2.93Å; L251-L254 HydrophobicContact CD2-CD1 4.43Å; L254-Q256 PolarHBondContact O-N 2.93Å; L254-N257 PolarHBondContact O-N 2.95Å; L254-C258 HydrophobicContact CD2-CB 4.14Å; L254-C258 WeakPolarHBondContact O-CA 3.36Å; L254-C258 WeakPolarHBondContact O-CB 3.3Å; L254-C258 PolarHBondContact O-N 3.24Å; L254-L261 HydrophobicContact CD1-CD2 3.92Å; L254-L261 HydrophobicContact CD2-CD2 4.27Å; L254-L261 HydrophobicContact CG-CD2 4.5Å; L254-L264 HydrophobicContact CD1-CD1 3.89Å; L254-L264 HydrophobicContact CD1-CD2 4.37Å; L254-L280 HydrophobicContact CB-CD1 3.6Å; L254-L280 HydrophobicContact CD1-CD1 4.05Å
255G97.5Very high98.1Very high4 Ų438.3 Ų38.34%0.04120%0.195CC..Hα-helixtrans-56.2-41.1178.200000112.3L251 N252 N283L251-G255 PolarHBondContact O-N 2.96Å; N252-G255 PolarHBondContact O-N 3.29Å; G255-N283 WeakPolarHBondContact O-CB 3.28Å
256Q97.2Very high98.2Very high124 Ų12435 Ų3558%0.57918%0.177SC*.Hα-helixtrans-76.4-30.3-178.3-69.4177.811.800114.4N252 A253 L254N252-Q256 PolarHBondContact ND2-NE2 3.1Å; N252-Q256 WeakPolarHBondContact O-CG 3.45Å; N252-Q256 PolarHBondContact O-N 2.96Å; N252-Q256 PolarHBondContact OD1-NE2 2.98Å; A253-Q256 PolarHBondContact O-N 3.02Å; L254-Q256 PolarHBondContact O-N 2.93Å
257N98.1Very high98.2Very high37 Ų3735.1 Ų35.120%0.19818%0.179CC..Hα-helixtrans-121.4-13.3-166.2-59.3-87.1000114.9C229 H233 A253 L254 P259C229-N257 HydrophobicContact CB-CB 4.2Å; C229-N257 WeakPolarHBondContact O-CB 3.35Å; H233-N257 PolarHBondContact ND1-O 3.23Å; H233-N257 VanDerWaalsContact ND1-O 3.14Å; A253-N257 WeakPolarHBondContact O-CB 3.27Å; A253-N257 PolarHBondContact O-N 3.02Å; A253-N257 PolarHBondContact O-ND2 2.92Å; L254-N257 PolarHBondContact O-N 2.95Å; N257-P259 VanDerWaalsContact C-CD 3.45Å; N257-P259 WeakPolarHBondContact O-CD 3.16Å
258C97.9Very high98.2Very high0 Ų038.5 Ų38.50%019%0.187CC..  trans-126.563.9-173.8-57.60000111.9L254 R260 L261 C284L254-C258 HydrophobicContact CD2-CB 4.14Å; L254-C258 WeakPolarHBondContact O-CA 3.36Å; L254-C258 WeakPolarHBondContact O-CB 3.3Å; L254-C258 PolarHBondContact O-N 3.24Å; C258-R260 PolarHBondContact O-N 3.46Å; C258-R260 VanDerWaalsContact O-N 3.11Å; C258-L261 WeakPolarHBondContact O-CB 3.49Å; C258-L261 PolarHBondContact O-N 3.14Å; C258-L261 VanDerWaalsContact O-N 3.16Å; C258-C284 PolarHBondContact O-SG 3.48Å
259P96.1Very high98.1Very high74 Ų7437 Ų3748%0.48118%0.179SC..THydrogen-bonded Turntrans-66.9-15.3-176.528.1-36.3000114.1N257N257-P259 VanDerWaalsContact C-CD 3.45Å; N257-P259 WeakPolarHBondContact O-CD 3.16Å
260R97.7Very high98Very high138 Ų13837.6 Ų37.652%0.52118%0.181SC..THydrogen-bonded Turntrans-93.812.7178.3-61.9-173.9179.2-172.3-0.4113.3Q236 C258 R262Q236-R260 HydrophobicContact CG-CB 4.32Å; Q236-R260 WeakPolarHBondContact CG-O 3.46Å; C258-R260 PolarHBondContact O-N 3.46Å; C258-R260 VanDerWaalsContact O-N 3.11Å; R260-R262 PolarHBondContact O-N 3.3Å
261L98.7Very high98Very high0 Ų041.7 Ų41.70%020%0.2CC..  trans-64.7126.3-179.8-166.171.2000110.1L238 L254 C258 L264 L280 C284 E286 L287L238-L261 HydrophobicContact CB-CD1 4.39Å; L254-L261 HydrophobicContact CD1-CD2 3.92Å; L254-L261 HydrophobicContact CD2-CD2 4.27Å; L254-L261 HydrophobicContact CG-CD2 4.5Å; C258-L261 WeakPolarHBondContact O-CB 3.49Å; C258-L261 PolarHBondContact O-N 3.14Å; C258-L261 VanDerWaalsContact O-N 3.16Å; L261-L264 HydrophobicContact CD2-CB 4.26Å; L261-L280 HydrophobicContact CD2-CD1 4.14Å; L261-C284 HydrophobicContact CB-CB 4.49Å; L261-E286 CarbonylContact O-C 3.4Å; L261-E286 VanDerWaalsContact O-C 3.27Å; L261-L287 HydrophobicContact CB-CD2 4.44Å; L261-L287 HydrophobicContact CD2-CD2 4.12Å; L261-L287 HydrophobicContact CG-CD2 4.11Å; L261-L287 PolarHBondContact O-N 3.22Å
262R98.8Very high98Very high87 Ų8741.7 Ų41.733%0.32820%0.2SC..  trans-115.7-38-178.2-64.817468.8-162.3-0.3112Q236 R260 E286 E288 K289Q236-R262 WeakPolarHBondContact O-CA 3.4Å; Q236-R262 PolarHBondContact O-N 3.16Å; R260-R262 PolarHBondContact O-N 3.3Å; R262-E286 WeakPolarHBondContact CA-O 3.14Å; R262-E286 HydrophobicContact CG-CB 4.19Å; R262-E286 WeakPolarHBondContact CG-O 3.45Å; R262-E288 IonicContact CZ-OE1 2.9Å; R262-E288 IonicContact CZ-OE2 2.92Å; R262-E288 IonicContact NE-OE1 3.66Å; R262-E288 PolarHBondContact NE-OE1 2.84Å; R262-E288 IonicContact NE-OE2 3.26Å; R262-E288 PolarHBondContact NE-OE2 3.04Å; R262-E288 VanDerWaalsContact NE-OE2 3.13Å; R262-E288 IonicContact NH2-OE1 3.95Å; R262-E288 PolarHBondContact NH2-OE1 3.47Å; R262-E288 IonicContact NH2-OE2 2.66Å; R262-E288 PolarHBondContact NH2-OE2 3.39Å; R262-E288 PolarHBondContact O-N 3.25Å; R262-K289 PolarHBondContact O-N 3.23Å
263I98.9Very high98Very high51 Ų5140 Ų4026%0.26219%0.192SC..EExtended strand (participates in β ladder)trans-123.6121.9-176.8-55.5174.1000108.5Q236 S237 L238 E265 K289Q236-I263 PolarHBondContact O-N 3.48Å; S237-I263 WeakPolarHBondContact CA-O 3.22Å; L238-I263 PolarHBondContact N-O 3.03Å; I263-E265 HydrophobicContact CG2-CG 4.09Å; I263-K289 WeakPolarHBondContact CA-O 3.49Å; I263-K289 HydrophobicContact CB-CB 4.48Å; I263-K289 HydrophobicContact CG1-CB 4.15Å; I263-K289 HydrophobicContact CG2-CB 4.19Å; I263-K289 HydrophobicContact CG2-CD 4.19Å; I263-K289 HydrophobicContact CG2-CG 4.34Å
264L98.9Very high98Very high0 Ų040.9 Ų40.90%020%0.196CC..EExtended strand (participates in β ladder)trans-127.9116.7172-178.863.2000109.8L238 L251 L254 L261 V266 F277 L280 L287 K289 M290 D291L238-L264 HydrophobicContact CB-CD1 4.29Å; L238-L264 HydrophobicContact CD2-CD1 4.24Å; L238-L264 HydrophobicContact CG-CD1 4.44Å; L238-L264 WeakPolarHBondContact O-CA 3.25Å; L251-L264 HydrophobicContact CD2-CD2 3.93Å; L254-L264 HydrophobicContact CD1-CD1 3.89Å; L254-L264 HydrophobicContact CD1-CD2 4.37Å; L261-L264 HydrophobicContact CD2-CB 4.26Å; L264-V266 HydrophobicContact CD1-CG1 3.72Å; L264-V266 HydrophobicContact CG-CG1 4.01Å; L264-V266 HydrophobicContact CG-CG2 4.42Å; L264-F277 HydrophobicContact CD2-CE1 4.49Å; L264-L280 HydrophobicContact CD2-CD2 3.4Å; L264-L280 VanDerWaalsContact CD2-CD2 3.4Å; L264-L287 HydrophobicContact CB-CD2 4.45Å; L264-K289 PolarHBondContact N-O 2.98Å; L264-M290 VanDerWaalsContact O-CA 3.3Å; L264-M290 WeakPolarHBondContact O-CA 3.43Å; L264-D291 PolarHBondContact O-N 3.27Å
265E98.9Very high98Very high36 Ų3645.6 Ų45.617%0.16822%0.224CC..EExtended strand (participates in β ladder)trans-118107.3176.8-58.8176.916900109.2L238 C239 A240 S241 I263 K289 D291L238-E265 PolarHBondContact O-N 3.13Å; C239-E265 CarbonylContact C-O 3.51Å; C239-E265 WeakPolarHBondContact CA-O 3.39Å; C239-E265 HydrophobicContact CB-CB 4.04Å; C239-E265 WeakPolarHBondContact CB-OE2 3.48Å; C239-E265 PolarHBondContact SG-OE2 2.96Å; A240-E265 PolarHBondContact N-O 2.77Å; S241-E265 PolarHBondContact N-O 2.97Å; S241-E265 VanDerWaalsContact N-O 3.17Å; S241-E265 PolarHBondContact OG-O 3.04Å; I263-E265 HydrophobicContact CG2-CG 4.09Å; E265-K289 WeakPolarHBondContact OE1-CE 3.28Å; E265-K289 IonicContact OE1-NZ 3.2Å; E265-K289 PolarHBondContact OE1-NZ 2.97Å; E265-D291 HydrophobicContact CB-CB 4.09Å; E265-D291 HydrophobicContact CG-CB 3.97Å
266V98.6Very high98Very high0 Ų045.5 Ų45.50%022%0.223CC..  trans-128.531.8-176.1-69.40000111.3A240 S241 I246 L264 R268 C269 L272 F277 D291 L292 C295A240-V266 HydrophobicContact CB-CG1 4.47Å; S241-V266 PolarHBondContact OG-N 3.11Å; I246-V266 HydrophobicContact CD1-CG1 4.24Å; L264-V266 HydrophobicContact CD1-CG1 3.72Å; L264-V266 HydrophobicContact CG-CG1 4.01Å; L264-V266 HydrophobicContact CG-CG2 4.42Å; V266-R268 PolarHBondContact O-N 2.79Å; V266-C269 HydrophobicContact CB-CB 4.3Å; V266-C269 WeakPolarHBondContact O-CB 3.49Å; V266-C269 PolarHBondContact O-N 3Å; V266-C269 PolarHBondContact O-SG 3.09Å; V266-C269 VanDerWaalsContact O-SG 3.38Å; V266-L272 HydrophobicContact CB-CD1 3.73Å; V266-L272 HydrophobicContact CG1-CD1 4.21Å; V266-L272 HydrophobicContact CG2-CD1 3.67Å; V266-F277 HydrophobicContact CG2-CE1 4.31Å; V266-F277 HydrophobicContact CG2-CZ 4.03Å; V266-D291 PolarHBondContact N-O 3.01Å; V266-L292 HydrophobicContact CG2-CD2 3.6Å; V266-C295 PolarHBondContact O-SG 3.32Å; V266-C295 VanDerWaalsContact O-SG 3.39Å
267A98.4Very high98.1Very high4 Ų439.6 Ų39.63%0.03320%0.195CC..THydrogen-bonded Turntrans-54.8141.417600000111.3S241 G242 C269 D291 E293S241-A267 CarbonylContact C-O 3.14Å; S241-A267 WeakPolarHBondContact CA-O 3.47Å; S241-A267 PolarHBondContact OG-N 2.88Å; S241-A267 VanDerWaalsContact OG-N 3.13Å; G242-A267 PolarHBondContact N-O 3.04Å; A267-C269 PolarHBondContact O-N 2.87Å; A267-D291 PolarHBondContact N-O 3.28Å; A267-E293 CarbonylContact C-O 3.34Å; A267-E293 WeakPolarHBondContact CA-O 3.33Å; A267-E293 HydrophobicContact CB-CB 3.87Å
268R97.6Very high98.1Very high112 Ų11238.9 Ų38.942%0.42319%0.192SC..THydrogen-bonded Turntrans63.421.2-178.2-56.5179.4-81.1-164.3-14.9114.6V266 S270 E293 E294V266-R268 PolarHBondContact O-N 2.79Å; R268-S270 PolarHBondContact O-N 3.2Å; R268-E293 PolarHBondContact N-O 2.95Å; R268-E294 HydrophobicContact CG-CB 3.95Å; R268-E294 HydrophobicContact CG-CG 4.27Å; R268-E294 WeakPolarHBondContact CG-OE2 3.25Å
269C97.4Very high98.1Very high0 Ų040.7 Ų40.70%020%0.203CC..  trans-9678.5170.2-62.80000109.4A240 C243 I246 V266 A267 Q271 L272A240-C269 PolarHBondContact O-SG 2.95Å; A240-C269 VanDerWaalsContact O-SG 3.41Å; C243-C269 PolarHBondContact O-SG 3.11Å; I246-C269 HydrophobicContact CD1-CB 3.92Å; I246-C269 WeakPolarHBondContact CD1-SG 3.38Å; I246-C269 HydrophobicContact CG1-CB 3.87Å; V266-C269 HydrophobicContact CB-CB 4.3Å; V266-C269 WeakPolarHBondContact O-CB 3.49Å; V266-C269 PolarHBondContact O-N 3Å; V266-C269 PolarHBondContact O-SG 3.09Å; V266-C269 VanDerWaalsContact O-SG 3.38Å; A267-C269 PolarHBondContact O-N 2.87Å; C269-Q271 PolarHBondContact O-N 3.24Å; C269-L272 HydrophobicContact CB-CD1 3.67Å; C269-L272 HydrophobicContact CB-CG 3.94Å; C269-L272 PolarHBondContact O-N 3.34Å
270S95.7Very high98.2Very high51 Ų5137.1 Ų37.136%0.35718%0.18SC..THydrogen-bonded Turntrans-68.7-13-170.257.80000115.1R268 Q297R268-S270 PolarHBondContact O-N 3.2Å; S270-Q297 PolarHBondContact O-NE2 3.11Å
271Q97.4Very high98.2Very high85 Ų8530.6 Ų30.640%0.39716%0.156SC..THydrogen-bonded Turntrans-86.7-4.3178.8-59.6-173.349.800113.8S244 I246 T247 C269S244-Q271 PolarHBondContact O-NE2 3.32Å; I246-Q271 WeakPolarHBondContact O-CB 3.43Å; T247-Q271 HydrophobicContact CG2-CB 4.35Å; C269-Q271 PolarHBondContact O-N 3.24Å
272L98.4Very high98.1Very high0 Ų037 Ų370%018%0.18CC..  trans-79.7136.7177.4-59.7-178.5000110.8I246 T247 L251 V266 C269 F277 Q297I246-L272 HydrophobicContact CD1-CD1 4.41Å; I246-L272 HydrophobicContact CG1-CD2 4.27Å; T247-L272 WeakPolarHBondContact O-CD2 3.39Å; L251-L272 HydrophobicContact CD1-CB 4.37Å; L251-L272 HydrophobicContact CD1-CD1 4.33Å; L251-L272 HydrophobicContact CD1-CD2 3.9Å; L251-L272 HydrophobicContact CD1-CG 4.43Å; L251-L272 HydrophobicContact CG-CD2 4.09Å; V266-L272 HydrophobicContact CB-CD1 3.73Å; V266-L272 HydrophobicContact CG1-CD1 4.21Å; V266-L272 HydrophobicContact CG2-CD1 3.67Å; C269-L272 HydrophobicContact CB-CD1 3.67Å; C269-L272 HydrophobicContact CB-CG 3.94Å; C269-L272 PolarHBondContact O-N 3.34Å; L272-F277 HydrophobicContact CB-CE2 3.83Å; L272-F277 HydrophobicContact CB-CZ 4.16Å; L272-F277 HydrophobicContact CD1-CE2 4.46Å; L272-F277 HydrophobicContact CD1-CZ 3.93Å; L272-Q297 WeakPolarHBondContact O-CB 3.32Å
273T98.6Very high98.1Very high29 Ų2936.3 Ų36.318%0.17818%0.183CC..  trans-127.4174-176.386.10000112.2D248 V275 G276 F277 Q297D248-T273 PolarHBondContact OD1-N 3.24Å; D248-T273 PolarHBondContact OD2-OG1 2.82Å; T273-V275 PolarHBondContact O-N 3.48Å; T273-V275 VanDerWaalsContact O-N 3.12Å; T273-V275 PolarHBondContact OG1-N 2.84Å; T273-G276 PolarHBondContact O-N 3.33Å; T273-F277 VanDerWaalsContact O-CD2 3.28Å; T273-F277 WeakPolarHBondContact O-CD2 3.45Å; T273-F277 PolarHBondContact O-N 2.76Å; T273-Q297 HydrophobicContact CG2-CB 4.23Å
274D98.6Very high98Very high27 Ų2733.9 Ų33.914%0.14417%0.17CC..Hα-helixtrans-54.7-29.3174.9-61.8-55.6000113.5T278 T299 T302D274-T278 VanDerWaalsContact O-CB 3.23Å; D274-T278 WeakPolarHBondContact O-CB 3Å; D274-T278 PolarHBondContact O-N 3.48Å; D274-T278 PolarHBondContact O-OG1 3.29Å; D274-T299 VanDerWaalsContact CG-OG1 3.31Å; D274-T299 PolarHBondContact OD1-N 3.49Å; D274-T299 PolarHBondContact OD1-OG1 3.43Å; D274-T299 WeakPolarHBondContact OD2-CB 3.36Å; D274-T299 WeakPolarHBondContact OD2-CG2 3.41Å; D274-T299 PolarHBondContact OD2-N 3.25Å; D274-T299 PolarHBondContact OD2-OG1 3.1Å; D274-T302 WeakPolarHBondContact CA-OG1 3.31Å; D274-T302 WeakPolarHBondContact OD1-CB 3.31Å; D274-T302 PolarHBondContact OD1-N 2.62Å; D274-T302 PolarHBondContact OD1-OG1 2.53Å
275V98.4Very high98Very high99 Ų9938 Ų3860%0.619%0.19SC*.Hα-helixtrans-66-46.7-178.6177.40000111T273 T279T273-V275 PolarHBondContact O-N 3.48Å; T273-V275 VanDerWaalsContact O-N 3.12Å; T273-V275 PolarHBondContact OG1-N 2.84Å; V275-T279 PolarHBondContact O-N 3.36Å; V275-T279 PolarHBondContact O-OG1 3.3Å
276G98.3Very high97.9Very high1 Ų139.4 Ų39.41%0.0120%0.196CC..Hα-helixtrans-63.2-47.9176.600000111.8D248 L251 T273 T278 T279 L280D248-G276 VanDerWaalsContact CG-N 3.34Å; D248-G276 PolarHBondContact OD2-N 3.21Å; L251-G276 WeakPolarHBondContact CB-O 3.45Å; T273-G276 PolarHBondContact O-N 3.33Å; G276-T278 VanDerWaalsContact C-N 3.34Å; G276-T278 PolarHBondContact O-N 3.05Å; G276-T279 WeakPolarHBondContact O-CB 3.43Å; G276-T279 PolarHBondContact O-N 3.26Å; G276-T279 VanDerWaalsContact O-N 3.14Å; G276-L280 PolarHBondContact O-N 2.92Å
277F98.5Very high97.9Very high1 Ų139.4 Ų39.40%0.00420%0.196CC..Hα-helixtrans-66.5-34179.4-71.6-64.9000113.2L251 L264 V266 L272 T273 T279 L280 A281 M290 L292 I298 T302L251-F277 HydrophobicContact CD1-CD1 3.85Å; L251-F277 HydrophobicContact CD1-CD2 4.1Å; L251-F277 HydrophobicContact CD1-CE1 3.81Å; L251-F277 HydrophobicContact CD1-CE2 4.07Å; L251-F277 HydrophobicContact CD1-CG 3.98Å; L251-F277 HydrophobicContact CD1-CZ 3.92Å; L251-F277 HydrophobicContact CD2-CE1 4.21Å; L264-F277 HydrophobicContact CD2-CE1 4.49Å; V266-F277 HydrophobicContact CG2-CE1 4.31Å; V266-F277 HydrophobicContact CG2-CZ 4.03Å; L272-F277 HydrophobicContact CB-CE2 3.83Å; L272-F277 HydrophobicContact CB-CZ 4.16Å; L272-F277 HydrophobicContact CD1-CE2 4.46Å; L272-F277 HydrophobicContact CD1-CZ 3.93Å; T273-F277 VanDerWaalsContact O-CD2 3.28Å; T273-F277 WeakPolarHBondContact O-CD2 3.45Å; T273-F277 PolarHBondContact O-N 2.76Å; F277-T279 VanDerWaalsContact C-N 3.3Å; F277-T279 PolarHBondContact O-N 3.2Å; F277-L280 HydrophobicContact CD1-CD2 4.26Å; F277-L280 PolarHBondContact O-N 3.49Å; F277-A281 VanDerWaalsContact O-CB 3.25Å; F277-A281 WeakPolarHBondContact O-CB 3.26Å; F277-A281 PolarHBondContact O-N 3.2Å; F277-M290 HydrophobicContact CD1-CE 3.87Å; F277-M290 HydrophobicContact CE1-CE 3.96Å; F277-L292 HydrophobicContact CD1-CD2 4.48Å; F277-L292 HydrophobicContact CE1-CD1 4.27Å; F277-L292 HydrophobicContact CE1-CD2 3.48Å; F277-L292 VanDerWaalsContact CE1-CD2 3.48Å; F277-L292 HydrophobicContact CZ-CD1 4.27Å; F277-L292 HydrophobicContact CZ-CD2 3.5Å; F277-L292 HydrophobicContact CZ-CG 4.45Å; F277-I298 HydrophobicContact CD2-CG2 3.75Å; F277-I298 HydrophobicContact CE2-CG2 3.53Å; F277-T302 HydrophobicContact CB-CG2 3.79Å; F277-T302 HydrophobicContact CD2-CG2 4.18Å; F277-T302 HydrophobicContact CG-CG2 3.98Å
278T98.3Very high97.9Very high21 Ų2140.6 Ų40.613%0.12920%0.201CC..Hα-helixtrans-57.9-46171.3-63.30000110.9D274 G276 R282 Q305D274-T278 VanDerWaalsContact O-CB 3.23Å; D274-T278 WeakPolarHBondContact O-CB 3Å; D274-T278 PolarHBondContact O-N 3.48Å; D274-T278 PolarHBondContact O-OG1 3.29Å; G276-T278 VanDerWaalsContact C-N 3.34Å; G276-T278 PolarHBondContact O-N 3.05Å; T278-R282 VanDerWaalsContact O-CG 3.29Å; T278-R282 WeakPolarHBondContact O-CG 3.31Å; T278-R282 PolarHBondContact O-N 2.82Å; T278-Q305 HydrophobicContact CG2-CG 3.91Å; T278-Q305 WeakPolarHBondContact OG1-CG 3.26Å
279T97.4Very high98Very high38 Ų3838.7 Ų38.723%0.23320%0.195CC..Hα-helixtrans-67.1-42.6-179.7-55.40000111.4N252 V275 G276 F277 N283N252-T279 HydrophobicContact CB-CG2 4.22Å; N252-T279 WeakPolarHBondContact OD1-CG2 3.5Å; V275-T279 PolarHBondContact O-N 3.36Å; V275-T279 PolarHBondContact O-OG1 3.3Å; G276-T279 WeakPolarHBondContact O-CB 3.43Å; G276-T279 PolarHBondContact O-N 3.26Å; G276-T279 VanDerWaalsContact O-N 3.14Å; F277-T279 VanDerWaalsContact C-N 3.3Å; F277-T279 PolarHBondContact O-N 3.2Å; T279-N283 PolarHBondContact O-ND2 2.89Å
280L98.4Very high98Very high0 Ų038.7 Ų38.70%020%0.195CC..Hα-helixtrans-60.4-54.1175.8-176.280.5000111.2L251 L254 L261 L264 G276 F277 R282 N283 C284 L287 M290L251-L280 HydrophobicContact CB-CB 4.45Å; L251-L280 HydrophobicContact CD2-CD2 4.34Å; L254-L280 HydrophobicContact CB-CD1 3.6Å; L254-L280 HydrophobicContact CD1-CD1 4.05Å; L261-L280 HydrophobicContact CD2-CD1 4.14Å; L264-L280 HydrophobicContact CD2-CD2 3.4Å; L264-L280 VanDerWaalsContact CD2-CD2 3.4Å; G276-L280 PolarHBondContact O-N 2.92Å; F277-L280 HydrophobicContact CD1-CD2 4.26Å; F277-L280 PolarHBondContact O-N 3.49Å; L280-R282 VanDerWaalsContact C-N 3.26Å; L280-R282 PolarHBondContact O-N 3.24Å; L280-N283 PolarHBondContact O-N 3.26Å; L280-C284 HydrophobicContact CD1-CB 4.45Å; L280-C284 HydrophobicContact CG-CB 4.42Å; L280-C284 WeakPolarHBondContact O-CB 3.48Å; L280-C284 PolarHBondContact O-N 3.24Å; L280-L287 HydrophobicContact CD2-CD1 4.02Å; L280-L287 HydrophobicContact CG-CD1 4.28Å; L280-M290 HydrophobicContact CD2-CE 4.21Å
281A97.9Very high98.2Very high0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-57.4-40.1-175.300000112F277 N283 Q305 L306 H309F277-A281 VanDerWaalsContact O-CB 3.25Å; F277-A281 WeakPolarHBondContact O-CB 3.26Å; F277-A281 PolarHBondContact O-N 3.2Å; A281-N283 PolarHBondContact O-N 3.18Å; A281-Q305 HydrophobicContact CB-CB 4.16Å; A281-L306 HydrophobicContact CB-CD2 4.02Å; A281-H309 HydrophobicContact CB-CB 4.25Å; A281-H309 WeakPolarHBondContact O-CB 3.5Å
282R97.6Very high98.2Very high134 Ų13433.6 Ų33.651%0.50617%0.167SC..THydrogen-bonded Turntrans-64.9-18.5179.5-76.6176.7-176.9176.34.6115T278 L280 H285T278-R282 VanDerWaalsContact O-CG 3.29Å; T278-R282 WeakPolarHBondContact O-CG 3.31Å; T278-R282 PolarHBondContact O-N 2.82Å; L280-R282 VanDerWaalsContact C-N 3.26Å; L280-R282 PolarHBondContact O-N 3.24Å; R282-H285 PolarHBondContact O-CE1 2.7Å; R282-H285 PolarHBondContact O-NE2 3.08Å
283N97.7Very high98.2Very high73 Ų7336.5 Ų36.539%0.3918%0.181SC..THydrogen-bonded Turntrans-120.8-20.3-176.2-61.3-78.6000113.6G255 T279 L280 A281G255-N283 WeakPolarHBondContact O-CB 3.28Å; T279-N283 PolarHBondContact O-ND2 2.89Å; L280-N283 PolarHBondContact O-N 3.26Å; A281-N283 PolarHBondContact O-N 3.18Å
284C97.6Very high98.2Very high0 Ų038.8 Ų38.80%019%0.189CC..  trans-107.977.4-178.5-63.20000111.3C258 L261 L280 E286 L287C258-C284 PolarHBondContact O-SG 3.48Å; L261-C284 HydrophobicContact CB-CB 4.49Å; L280-C284 HydrophobicContact CD1-CB 4.45Å; L280-C284 HydrophobicContact CG-CB 4.42Å; L280-C284 WeakPolarHBondContact O-CB 3.48Å; L280-C284 PolarHBondContact O-N 3.24Å; C284-E286 VanDerWaalsContact C-N 3.28Å; C284-E286 PolarHBondContact O-N 2.82Å; C284-L287 HydrophobicContact CB-CD1 3.81Å; C284-L287 HydrophobicContact CB-CG 3.92Å; C284-L287 WeakPolarHBondContact O-CD1 3.43Å; C284-L287 WeakPolarHBondContact O-CG 3.36Å
285H97.6Very high98.1Very high88 Ų8837.5 Ų37.541%0.40718%0.182SC..THydrogen-bonded Turntrans-79.5-7.5-177.2-53.3-54000114.6R282 H309R282-H285 PolarHBondContact O-CE1 2.7Å; R282-H285 PolarHBondContact O-NE2 3.08Å; H285-H309 PolarHBondContact ND1-O 2.87Å
286E98.1Very high98.1Very high65 Ų6535.9 Ų35.930%0.30417%0.173SC..THydrogen-bonded Turntrans-92.15.9178-63.3-167.1175.200113.5L261 R262 C284 E288L261-E286 CarbonylContact O-C 3.4Å; L261-E286 VanDerWaalsContact O-C 3.27Å; R262-E286 WeakPolarHBondContact CA-O 3.14Å; R262-E286 HydrophobicContact CG-CB 4.19Å; R262-E286 WeakPolarHBondContact CG-O 3.45Å; C284-E286 VanDerWaalsContact C-N 3.28Å; C284-E286 PolarHBondContact O-N 2.82Å; E286-E288 PolarHBondContact O-N 3.26Å
287L98.5Very high98Very high0 Ų040.3 Ų40.30%019%0.193CC..  trans-58.9126.8178.4-74.1169000111.5L261 L264 L280 C284 M290 C310 R312 L313L261-L287 HydrophobicContact CB-CD2 4.44Å; L261-L287 HydrophobicContact CD2-CD2 4.12Å; L261-L287 HydrophobicContact CG-CD2 4.11Å; L261-L287 PolarHBondContact O-N 3.22Å; L264-L287 HydrophobicContact CB-CD2 4.45Å; L280-L287 HydrophobicContact CD2-CD1 4.02Å; L280-L287 HydrophobicContact CG-CD1 4.28Å; C284-L287 HydrophobicContact CB-CD1 3.81Å; C284-L287 HydrophobicContact CB-CG 3.92Å; C284-L287 WeakPolarHBondContact O-CD1 3.43Å; C284-L287 WeakPolarHBondContact O-CG 3.36Å; L287-M290 HydrophobicContact CD1-SD 3.89Å; L287-M290 HydrophobicContact CD2-CG 4.42Å; L287-C310 HydrophobicContact CB-CB 4.49Å; L287-R312 CarbonylContact O-C 3.53Å; L287-L313 WeakPolarHBondContact O-CA 3.42Å; L287-L313 PolarHBondContact O-N 3.17Å; L287-L313 VanDerWaalsContact O-N 3.11Å
288E98.5Very high98Very high28 Ų2840.3 Ų40.313%0.13119%0.193CC..  trans-120.1-41.6-178-72.8172.4-169.300111.3R262 E286 R312 Q314 V315R262-E288 IonicContact CZ-OE1 2.9Å; R262-E288 IonicContact CZ-OE2 2.92Å; R262-E288 IonicContact NE-OE1 3.66Å; R262-E288 PolarHBondContact NE-OE1 2.84Å; R262-E288 IonicContact NE-OE2 3.26Å; R262-E288 PolarHBondContact NE-OE2 3.04Å; R262-E288 VanDerWaalsContact NE-OE2 3.13Å; R262-E288 IonicContact NH2-OE1 3.95Å; R262-E288 PolarHBondContact NH2-OE1 3.47Å; R262-E288 IonicContact NH2-OE2 2.66Å; R262-E288 PolarHBondContact NH2-OE2 3.39Å; R262-E288 PolarHBondContact O-N 3.25Å; E286-E288 PolarHBondContact O-N 3.26Å; E288-R312 HydrophobicContact CG-CB 4.24Å; E288-Q314 WeakPolarHBondContact O-CA 3.48Å; E288-Q314 WeakPolarHBondContact O-CB 3.18Å; E288-Q314 PolarHBondContact O-N 3.39Å; E288-V315 PolarHBondContact O-N 3.15Å
289K98.8Very high98Very high72 Ų7241.4 Ų41.431%0.31320%0.2SC..EExtended strand (participates in β ladder)trans-127128.2178.8179.2176.9-177.2-158.90110.7R262 I263 L264 E265 V315R262-K289 PolarHBondContact O-N 3.23Å; I263-K289 WeakPolarHBondContact CA-O 3.49Å; I263-K289 HydrophobicContact CB-CB 4.48Å; I263-K289 HydrophobicContact CG1-CB 4.15Å; I263-K289 HydrophobicContact CG2-CB 4.19Å; I263-K289 HydrophobicContact CG2-CD 4.19Å; I263-K289 HydrophobicContact CG2-CG 4.34Å; L264-K289 PolarHBondContact N-O 2.98Å; E265-K289 WeakPolarHBondContact OE1-CE 3.28Å; E265-K289 IonicContact OE1-NZ 3.2Å; E265-K289 PolarHBondContact OE1-NZ 2.97Å; K289-V315 CarbonylContact C-O 3.5Å; K289-V315 WeakPolarHBondContact CA-O 3.42Å; K289-V315 HydrophobicContact CB-CB 4.21Å; K289-V315 HydrophobicContact CD-CG1 4.39Å; K289-V315 HydrophobicContact CG-CB 3.94Å; K289-V315 HydrophobicContact CG-CG1 4.02Å
290M98.7Very high98.1Very high0 Ų040.7 Ų40.70%020%0.195CC..EExtended strand (participates in β ladder)trans-130.2123.4171.8-68.3-177.567.600110.2L264 F277 L280 L287 L292 L306 L313 V315 L316 S317L264-M290 VanDerWaalsContact O-CA 3.3Å; L264-M290 WeakPolarHBondContact O-CA 3.43Å; F277-M290 HydrophobicContact CD1-CE 3.87Å; F277-M290 HydrophobicContact CE1-CE 3.96Å; L280-M290 HydrophobicContact CD2-CE 4.21Å; L287-M290 HydrophobicContact CD1-SD 3.89Å; L287-M290 HydrophobicContact CD2-CG 4.42Å; M290-L292 HydrophobicContact CB-CD2 4.46Å; M290-L292 HydrophobicContact CB-CG 4.44Å; M290-L292 HydrophobicContact CE-CD1 4.14Å; M290-L292 HydrophobicContact CE-CD2 3.94Å; M290-L292 HydrophobicContact CE-CG 4.41Å; M290-L306 HydrophobicContact CE-CD1 4.23Å; M290-L306 HydrophobicContact CE-CD2 4Å; M290-L306 HydrophobicContact SD-CD1 4.06Å; M290-L306 HydrophobicContact SD-CD2 3.55Å; M290-L306 VanDerWaalsContact SD-CD2 3.55Å; M290-L306 HydrophobicContact SD-CG 4.48Å; M290-L313 HydrophobicContact CB-CD1 4.4Å; M290-L313 HydrophobicContact CG-CD1 4.09Å; M290-L313 HydrophobicContact SD-CD1 4.27Å; M290-V315 PolarHBondContact N-O 3.26Å; M290-L316 HydrophobicContact CB-CD1 3.82Å; M290-L316 WeakPolarHBondContact O-CA 3.23Å; M290-S317 PolarHBondContact O-N 3.48Å
291D98.8Very high98.1Very high30 Ų3043 Ų4316%0.1621%0.21CC..EExtended strand (participates in β ladder)trans-110.7107.4170.9179.63.5000108.7L264 E265 V266 A267 E293L264-D291 PolarHBondContact O-N 3.27Å; E265-D291 HydrophobicContact CB-CB 4.09Å; E265-D291 HydrophobicContact CG-CB 3.97Å; V266-D291 PolarHBondContact N-O 3.01Å; A267-D291 PolarHBondContact N-O 3.28Å; D291-E293 WeakPolarHBondContact OD1-CB 3.14Å; D291-E293 PolarHBondContact OD1-N 2.88Å; D291-E293 VanDerWaalsContact OD1-N 3.14Å
292L98.5Very high98.1Very high0 Ų043 Ų430%021%0.21CC..  trans-113.920.1-177.5-49.3-174.2000111.5V266 F277 M290 E294 C295 I298 T302 L316 S317 L318 C321V266-L292 HydrophobicContact CG2-CD2 3.6Å; F277-L292 HydrophobicContact CD1-CD2 4.48Å; F277-L292 HydrophobicContact CE1-CD1 4.27Å; F277-L292 HydrophobicContact CE1-CD2 3.48Å; F277-L292 VanDerWaalsContact CE1-CD2 3.48Å; F277-L292 HydrophobicContact CZ-CD1 4.27Å; F277-L292 HydrophobicContact CZ-CD2 3.5Å; F277-L292 HydrophobicContact CZ-CG 4.45Å; M290-L292 HydrophobicContact CB-CD2 4.46Å; M290-L292 HydrophobicContact CB-CG 4.44Å; M290-L292 HydrophobicContact CE-CD1 4.14Å; M290-L292 HydrophobicContact CE-CD2 3.94Å; M290-L292 HydrophobicContact CE-CG 4.41Å; L292-E294 PolarHBondContact O-N 3.43Å; L292-C295 HydrophobicContact CB-CB 4.32Å; L292-C295 VanDerWaalsContact O-CB 3.23Å; L292-C295 WeakPolarHBondContact O-CB 3.32Å; L292-C295 PolarHBondContact O-N 3.23Å; L292-I298 HydrophobicContact CB-CD1 4.1Å; L292-I298 HydrophobicContact CD1-CD1 3.88Å; L292-T302 HydrophobicContact CD1-CG2 4.29Å; L292-L316 HydrophobicContact CD1-CD1 4.34Å; L292-S317 WeakPolarHBondContact CA-O 3.2Å; L292-S317 WeakPolarHBondContact CB-O 3.3Å; L292-S317 PolarHBondContact N-O 3.19Å; L292-L318 HydrophobicContact CB-CD2 4.36Å; L292-L318 HydrophobicContact CD1-CD2 4.04Å; L292-C321 PolarHBondContact O-SG 3.41Å
293E98.4Very high98.1Very high61 Ų6136.6 Ų36.629%0.28519%0.186SC..THydrogen-bonded Turntrans-52.4134.6-179.4176.4-175.6155.600111.2A267 R268 D291 C295 S319A267-E293 CarbonylContact C-O 3.34Å; A267-E293 WeakPolarHBondContact CA-O 3.33Å; A267-E293 HydrophobicContact CB-CB 3.87Å; R268-E293 PolarHBondContact N-O 2.95Å; D291-E293 WeakPolarHBondContact OD1-CB 3.14Å; D291-E293 PolarHBondContact OD1-N 2.88Å; D291-E293 VanDerWaalsContact OD1-N 3.14Å; E293-C295 PolarHBondContact O-N 3.4Å; E293-C295 VanDerWaalsContact O-N 3.13Å; E293-S319 CarbonylContact C-O 3.55Å; E293-S319 WeakPolarHBondContact CA-O 3.43Å
294E97.6Very high98.2Very high76 Ų7635.1 Ų35.136%0.35518%0.178SC..THydrogen-bonded Turntrans57.520.8-177.1-66.7-176.8-142.500115R268 L292 V296 S319 H320R268-E294 HydrophobicContact CG-CB 3.95Å; R268-E294 HydrophobicContact CG-CG 4.27Å; R268-E294 WeakPolarHBondContact CG-OE2 3.25Å; L292-E294 PolarHBondContact O-N 3.43Å; E294-V296 PolarHBondContact O-N 3.27Å; E294-S319 PolarHBondContact N-O 2.98Å; E294-H320 HydrophobicContact CB-CB 4.43Å; E294-H320 HydrophobicContact CG-CB 3.66Å
295C97.4Very high98.2Very high0 Ų036.4 Ų36.40%018%0.184CC..  trans-7870163.7-71.50000110.1V266 L292 E293 Q297 I298V266-C295 PolarHBondContact O-SG 3.32Å; V266-C295 VanDerWaalsContact O-SG 3.39Å; L292-C295 HydrophobicContact CB-CB 4.32Å; L292-C295 VanDerWaalsContact O-CB 3.23Å; L292-C295 WeakPolarHBondContact O-CB 3.32Å; L292-C295 PolarHBondContact O-N 3.23Å; E293-C295 PolarHBondContact O-N 3.4Å; E293-C295 VanDerWaalsContact O-N 3.13Å; C295-Q297 PolarHBondContact O-N 3.16Å; C295-I298 HydrophobicContact CB-CD1 4.36Å; C295-I298 HydrophobicContact CB-CG2 3.93Å; C295-I298 WeakPolarHBondContact O-CG1 3.32Å; C295-I298 PolarHBondContact O-N 2.83Å; C295-I298 VanDerWaalsContact O-N 3.12Å
296V96.6Very high98.2Very high66 Ų6632.2 Ų32.240%0.417%0.165SC..THydrogen-bonded Turntrans-61.4-14.5-167.3-61.20000116.3E294 L323E294-V296 PolarHBondContact O-N 3.27Å; V296-L323 WeakPolarHBondContact O-CD1 3.11Å
297Q97.3Very high98.1Very high94 Ų9429.4 Ų29.444%0.43915%0.152SC..THydrogen-bonded Turntrans-92.8-3.8179.6-69-170.683.100114S270 L272 T273 C295S270-Q297 PolarHBondContact O-NE2 3.11Å; L272-Q297 WeakPolarHBondContact O-CB 3.32Å; T273-Q297 HydrophobicContact CG2-CB 4.23Å; C295-Q297 PolarHBondContact O-N 3.16Å
298I97.9Very high98.1Very high0 Ų034 Ų340%018%0.176CC..  trans-79.3144.5178.476.2180000110.8F277 L292 C295 L318 C321 L323 I324F277-I298 HydrophobicContact CD2-CG2 3.75Å; F277-I298 HydrophobicContact CE2-CG2 3.53Å; L292-I298 HydrophobicContact CB-CD1 4.1Å; L292-I298 HydrophobicContact CD1-CD1 3.88Å; C295-I298 HydrophobicContact CB-CD1 4.36Å; C295-I298 HydrophobicContact CB-CG2 3.93Å; C295-I298 WeakPolarHBondContact O-CG1 3.32Å; C295-I298 PolarHBondContact O-N 2.83Å; C295-I298 VanDerWaalsContact O-N 3.12Å; I298-L318 HydrophobicContact CD1-CD2 3.8Å; I298-C321 HydrophobicContact CD1-CB 4.05Å; I298-C321 WeakPolarHBondContact CD1-SG 3.32Å; I298-C321 HydrophobicContact CG1-CB 3.97Å; I298-L323 WeakPolarHBondContact O-CB 3.24Å; I298-I324 HydrophobicContact CG1-CD1 4.23Å
299T98.7Very high98Very high44 Ų4435 Ų3527%0.2718%0.18SC..  trans-123.7-175.9177.271.70000110.7D274 S301 T302 L323 I324D274-T299 VanDerWaalsContact CG-OG1 3.31Å; D274-T299 PolarHBondContact OD1-N 3.49Å; D274-T299 PolarHBondContact OD1-OG1 3.43Å; D274-T299 WeakPolarHBondContact OD2-CB 3.36Å; D274-T299 WeakPolarHBondContact OD2-CG2 3.41Å; D274-T299 PolarHBondContact OD2-N 3.25Å; D274-T299 PolarHBondContact OD2-OG1 3.1Å; T299-S301 PolarHBondContact O-N 3.48Å; T299-S301 WeakPolarHBondContact OG1-CB 3.39Å; T299-S301 PolarHBondContact OG1-N 3.21Å; T299-T302 PolarHBondContact O-N 3.46Å; T299-T302 VanDerWaalsContact O-N 3.07Å; T299-L323 HydrophobicContact CG2-CB 4.17Å; T299-L323 HydrophobicContact CG2-CD1 4.01Å; T299-I324 VanDerWaalsContact C-CD1 3.44Å; T299-I324 WeakPolarHBondContact O-CD1 3.43Å
300D98.6Very high98Very high24 Ų2431.6 Ų31.613%0.12817%0.165CC..Hα-helixtrans-53.2-23.9173-63.8-30.5000113T302 L303 I304 T325 G328D300-T302 VanDerWaalsContact C-N 3.34Å; D300-T302 PolarHBondContact O-N 3.06Å; D300-L303 PolarHBondContact O-N 3.21Å; D300-L303 VanDerWaalsContact O-N 3.12Å; D300-I304 VanDerWaalsContact O-CG1 3.26Å; D300-I304 WeakPolarHBondContact O-CG1 3.28Å; D300-I304 PolarHBondContact O-N 3.14Å; D300-T325 PolarHBondContact OD1-N 3.06Å; D300-T325 WeakPolarHBondContact OD2-CB 3.19Å; D300-T325 PolarHBondContact OD2-OG1 3.44Å; D300-G328 VanDerWaalsContact OD1-CA 3.31Å; D300-G328 WeakPolarHBondContact OD1-CA 3.22Å; D300-G328 PolarHBondContact OD1-N 2.83Å
301S98.6Very high97.9Very high47 Ų4734.2 Ų34.233%0.32918%0.182SC..Hα-helixtrans-56.7-44175.1-175.10000112.6T299 L303 I304 Q305T299-S301 PolarHBondContact O-N 3.48Å; T299-S301 WeakPolarHBondContact OG1-CB 3.39Å; T299-S301 PolarHBondContact OG1-N 3.21Å; S301-L303 VanDerWaalsContact C-N 3.33Å; S301-L303 PolarHBondContact O-N 2.86Å; S301-I304 PolarHBondContact O-N 3.29Å; S301-Q305 WeakPolarHBondContact O-CG 3.47Å; S301-Q305 PolarHBondContact O-N 3.11Å
302T98.6Very high97.8Very high0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-57.6-47.4174.2-71.80000110.8D274 F277 L292 T299 D300 I304 Q305 L306D274-T302 WeakPolarHBondContact CA-OG1 3.31Å; D274-T302 WeakPolarHBondContact OD1-CB 3.31Å; D274-T302 PolarHBondContact OD1-N 2.62Å; D274-T302 PolarHBondContact OD1-OG1 2.53Å; F277-T302 HydrophobicContact CB-CG2 3.79Å; F277-T302 HydrophobicContact CD2-CG2 4.18Å; F277-T302 HydrophobicContact CG-CG2 3.98Å; L292-T302 HydrophobicContact CD1-CG2 4.29Å; T299-T302 PolarHBondContact O-N 3.46Å; T299-T302 VanDerWaalsContact O-N 3.07Å; D300-T302 VanDerWaalsContact C-N 3.34Å; D300-T302 PolarHBondContact O-N 3.06Å; T302-I304 VanDerWaalsContact C-N 3.33Å; T302-I304 PolarHBondContact O-N 2.8Å; T302-Q305 PolarHBondContact O-N 2.98Å; T302-L306 HydrophobicContact CG2-CD1 3.97Å; T302-L306 HydrophobicContact CG2-CG 4.37Å; T302-L306 WeakPolarHBondContact O-CG 3.39Å; T302-L306 PolarHBondContact O-N 3.2Å
303L98.4Very high97.8Very high0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-64.8-38.1-178.8-57.8-165.9000112.3D300 S301 L306 S307 L316 L318 I324 I329 L332D300-L303 PolarHBondContact O-N 3.21Å; D300-L303 VanDerWaalsContact O-N 3.12Å; S301-L303 VanDerWaalsContact C-N 3.33Å; S301-L303 PolarHBondContact O-N 2.86Å; L303-L306 HydrophobicContact CD2-CD1 4.48Å; L303-L306 PolarHBondContact O-N 3.18Å; L303-S307 VanDerWaalsContact O-CB 3.32Å; L303-S307 WeakPolarHBondContact O-CB 3.42Å; L303-S307 PolarHBondContact O-N 3.01Å; L303-S307 PolarHBondContact O-OG 3.39Å; L303-L316 HydrophobicContact CD2-CD2 4.11Å; L303-L318 HydrophobicContact CD1-CD1 3.82Å; L303-L318 HydrophobicContact CD2-CD1 3.67Å; L303-L318 HydrophobicContact CD2-CD2 3.8Å; L303-L318 HydrophobicContact CD2-CG 4.38Å; L303-L318 HydrophobicContact CG-CD1 4.38Å; L303-I324 HydrophobicContact CD1-CD1 3.88Å; L303-I324 HydrophobicContact CD1-CG1 4.48Å; L303-I324 HydrophobicContact CD1-CG2 3.71Å; L303-I324 HydrophobicContact CG-CD1 3.97Å; L303-I329 HydrophobicContact CD1-CD1 4.09Å; L303-L332 HydrophobicContact CB-CD1 4.27Å; L303-L332 HydrophobicContact CB-CG 4.11Å; L303-L332 HydrophobicContact CD1-CD1 3.88Å; L303-L332 HydrophobicContact CD2-CD1 4.04Å; L303-L332 HydrophobicContact CG-CD1 4.27Å
304I98.4Very high97.8Very high42 Ų4237 Ų3722%0.21519%0.19CC..Hα-helixtrans-58.7-50.3173.3-68.1162.8000110.1D300 S301 T302 L306 S307 I308 H331D300-I304 VanDerWaalsContact O-CG1 3.26Å; D300-I304 WeakPolarHBondContact O-CG1 3.28Å; D300-I304 PolarHBondContact O-N 3.14Å; S301-I304 PolarHBondContact O-N 3.29Å; T302-I304 VanDerWaalsContact C-N 3.33Å; T302-I304 PolarHBondContact O-N 2.8Å; I304-L306 PolarHBondContact O-N 3.25Å; I304-S307 PolarHBondContact O-N 3.38Å; I304-S307 PolarHBondContact O-OG 3.4Å; I304-I308 HydrophobicContact CG2-CD1 3.87Å; I304-I308 WeakPolarHBondContact O-CD1 3.35Å; I304-I308 VanDerWaalsContact O-CG1 3.32Å; I304-I308 WeakPolarHBondContact O-CG1 3.44Å; I304-I308 PolarHBondContact O-N 3.19Å; I304-H331 HydrophobicContact CG1-CB 3.9Å
305Q98.2Very high97.8Very high28 Ų2834.8 Ų34.813%0.13118%0.182CC..Hα-helixtrans-65.5-39.8-178.7-62.9-57-6700112.5T278 A281 S301 T302 I308 H309T278-Q305 HydrophobicContact CG2-CG 3.91Å; T278-Q305 WeakPolarHBondContact OG1-CG 3.26Å; A281-Q305 HydrophobicContact CB-CB 4.16Å; S301-Q305 WeakPolarHBondContact O-CG 3.47Å; S301-Q305 PolarHBondContact O-N 3.11Å; T302-Q305 PolarHBondContact O-N 2.98Å; Q305-I308 PolarHBondContact O-N 2.9Å; Q305-H309 PolarHBondContact O-CD2 3.5Å; Q305-H309 PolarHBondContact O-N 3.2Å
306L97.8Very high97.9Very high0 Ų034.8 Ų34.80%018%0.182CC..Hα-helixtrans-62.4-43.2174.9-66.9177.4000111.5A281 M290 T302 L303 I304 I308 H309 C310 L316A281-L306 HydrophobicContact CB-CD2 4.02Å; M290-L306 HydrophobicContact CE-CD1 4.23Å; M290-L306 HydrophobicContact CE-CD2 4Å; M290-L306 HydrophobicContact SD-CD1 4.06Å; M290-L306 HydrophobicContact SD-CD2 3.55Å; M290-L306 VanDerWaalsContact SD-CD2 3.55Å; M290-L306 HydrophobicContact SD-CG 4.48Å; T302-L306 HydrophobicContact CG2-CD1 3.97Å; T302-L306 HydrophobicContact CG2-CG 4.37Å; T302-L306 WeakPolarHBondContact O-CG 3.39Å; T302-L306 PolarHBondContact O-N 3.2Å; L303-L306 HydrophobicContact CD2-CD1 4.48Å; L303-L306 PolarHBondContact O-N 3.18Å; I304-L306 PolarHBondContact O-N 3.25Å; L306-I308 PolarHBondContact O-N 3.41Å; L306-H309 PolarHBondContact O-N 3.41Å; L306-C310 HydrophobicContact CD2-CB 4.43Å; L306-C310 WeakPolarHBondContact O-CB 3.33Å; L306-C310 PolarHBondContact O-N 3.27Å; L306-L316 HydrophobicContact CD1-CD1 4.32Å
307S96.8Very high98Very high6 Ų631.8 Ų31.84%0.04216%0.164CC..Hα-helixtrans-60.5-30.6179.276.60000113.4L303 I304 H331 G335 A336L303-S307 VanDerWaalsContact O-CB 3.32Å; L303-S307 WeakPolarHBondContact O-CB 3.42Å; L303-S307 PolarHBondContact O-N 3.01Å; L303-S307 PolarHBondContact O-OG 3.39Å; I304-S307 PolarHBondContact O-N 3.38Å; I304-S307 PolarHBondContact O-OG 3.4Å; S307-H331 WeakPolarHBondContact CB-O 3.36Å; S307-G335 WeakPolarHBondContact O-CA 3.47Å; S307-A336 PolarHBondContact O-N 2.97Å; S307-A336 VanDerWaalsContact O-N 3.08Å
308I97.3Very high98Very high95 Ų9527.3 Ų27.349%0.48714%0.143SC..Hα-helixtrans-85.4-46.4-179.3-63.6164.9000111.1I304 Q305 L306I304-I308 HydrophobicContact CG2-CD1 3.87Å; I304-I308 WeakPolarHBondContact O-CD1 3.35Å; I304-I308 VanDerWaalsContact O-CG1 3.32Å; I304-I308 WeakPolarHBondContact O-CG1 3.44Å; I304-I308 PolarHBondContact O-N 3.19Å; Q305-I308 PolarHBondContact O-N 2.9Å; L306-I308 PolarHBondContact O-N 3.41Å
309H97.7Very high98.1Very high50 Ų5027.5 Ų27.523%0.23114%0.144CC..Hα-helixtrans-106.7-10.2-164.4-62.2-68.9000115.1A281 H285 Q305 L306 P311A281-H309 HydrophobicContact CB-CB 4.25Å; A281-H309 WeakPolarHBondContact O-CB 3.5Å; H285-H309 PolarHBondContact ND1-O 2.87Å; Q305-H309 PolarHBondContact O-CD2 3.5Å; Q305-H309 PolarHBondContact O-N 3.2Å; L306-H309 PolarHBondContact O-N 3.41Å; H309-P311 VanDerWaalsContact C-CD 3.43Å; H309-P311 WeakPolarHBondContact O-CD 3.37Å
310C97.4Very high98Very high0 Ų028.2 Ų28.20%014%0.144CC..  trans-116.572.3-176-58.30000111.7L287 L306 R312 L313L287-C310 HydrophobicContact CB-CB 4.49Å; L306-C310 HydrophobicContact CD2-CB 4.43Å; L306-C310 WeakPolarHBondContact O-CB 3.33Å; L306-C310 PolarHBondContact O-N 3.27Å; C310-R312 PolarHBondContact O-N 3.38Å; C310-R312 VanDerWaalsContact O-N 3.11Å; C310-L313 HydrophobicContact CB-CB 4.42Å; C310-L313 PolarHBondContact O-N 2.81Å
311P96.8Very high98Very high55 Ų5527.1 Ų27.136%0.35714%0.138SC..THydrogen-bonded Turntrans-69.8-9.5-174.530.5-37.8000114.2H309 A336H309-P311 VanDerWaalsContact C-CD 3.43Å; H309-P311 WeakPolarHBondContact O-CD 3.37Å; P311-A336 HydrophobicContact CB-CB 3.89Å
312R97.4Very high97.9Very high108 Ų10830.3 Ų30.341%0.40815%0.148SC..THydrogen-bonded Turntrans-103.23.3-178.4-66.2-167.5177.8174.24114.2L287 E288 C310 Q314L287-R312 CarbonylContact O-C 3.53Å; E288-R312 HydrophobicContact CG-CB 4.24Å; C310-R312 PolarHBondContact O-N 3.38Å; C310-R312 VanDerWaalsContact O-N 3.11Å; R312-Q314 PolarHBondContact O-N 3.2Å
313L98.1Very high97.8Very high0 Ų034.5 Ų34.50%017%0.17CC..  trans-62.1125.8-176.2-167.567.5000110.7L287 M290 C310 L316 C337 R341L287-L313 WeakPolarHBondContact O-CA 3.42Å; L287-L313 PolarHBondContact O-N 3.17Å; L287-L313 VanDerWaalsContact O-N 3.11Å; M290-L313 HydrophobicContact CB-CD1 4.4Å; M290-L313 HydrophobicContact CG-CD1 4.09Å; M290-L313 HydrophobicContact SD-CD1 4.27Å; C310-L313 HydrophobicContact CB-CB 4.42Å; C310-L313 PolarHBondContact O-N 2.81Å; L313-L316 HydrophobicContact CD2-CB 4.28Å; L313-L316 HydrophobicContact CD2-CD2 4.19Å; L313-C337 HydrophobicContact CB-CB 4.04Å; L313-R341 CarbonylContact O-C 3.49Å; L313-R341 WeakPolarHBondContact O-CB 3.43Å
314Q98.1Very high97.9Very high43 Ų4334.5 Ų34.520%0.20117%0.17CC..  trans-116.4-43.1-176.3-73.3159.531.200111.8E288 R312 R341 E343 V344E288-Q314 WeakPolarHBondContact O-CA 3.48Å; E288-Q314 WeakPolarHBondContact O-CB 3.18Å; E288-Q314 PolarHBondContact O-N 3.39Å; R312-Q314 PolarHBondContact O-N 3.2Å; Q314-R341 VanDerWaalsContact CA-O 3.3Å; Q314-R341 WeakPolarHBondContact CA-O 3.39Å; Q314-R341 VanDerWaalsContact CG-O 3.28Å; Q314-R341 WeakPolarHBondContact CG-O 3.31Å; Q314-E343 PolarHBondContact O-N 3.05Å; Q314-V344 PolarHBondContact O-N 3.14Å
315V98.7Very high97.9Very high29 Ų2934.5 Ų34.518%0.17617%0.172CC..EExtended strand (participates in β ladder)trans-126.4121.2-175.21790000108.8E288 K289 M290 V344E288-V315 PolarHBondContact O-N 3.15Å; K289-V315 CarbonylContact C-O 3.5Å; K289-V315 WeakPolarHBondContact CA-O 3.42Å; K289-V315 HydrophobicContact CB-CB 4.21Å; K289-V315 HydrophobicContact CD-CG1 4.39Å; K289-V315 HydrophobicContact CG-CB 3.94Å; K289-V315 HydrophobicContact CG-CG1 4.02Å; M290-V315 PolarHBondContact N-O 3.26Å; V315-V344 WeakPolarHBondContact CA-O 3.25Å; V315-V344 HydrophobicContact CB-CB 4.34Å; V315-V344 HydrophobicContact CG1-CB 4.07Å; V315-V344 HydrophobicContact CG1-CG1 4.25Å; V315-V344 HydrophobicContact CG2-CB 4.05Å; V315-V344 HydrophobicContact CG2-CG2 4.13Å
316L98.6Very high97.9Very high0 Ų034.6 Ų34.60%017%0.173CC..EExtended strand (participates in β ladder)trans-131.3118177.1-178.362.9000110.2M290 L292 L303 L306 L313 L318 L332 V344 I345 E346M290-L316 HydrophobicContact CB-CD1 3.82Å; M290-L316 WeakPolarHBondContact O-CA 3.23Å; L292-L316 HydrophobicContact CD1-CD1 4.34Å; L303-L316 HydrophobicContact CD2-CD2 4.11Å; L306-L316 HydrophobicContact CD1-CD1 4.32Å; L313-L316 HydrophobicContact CD2-CB 4.28Å; L313-L316 HydrophobicContact CD2-CD2 4.19Å; L316-L318 HydrophobicContact CD1-CD2 4.11Å; L316-L318 HydrophobicContact CD1-CG 4.39Å; L316-L318 HydrophobicContact CD2-CD1 3.89Å; L316-L318 HydrophobicContact CD2-CD2 4.33Å; L316-L318 HydrophobicContact CD2-CG 4.15Å; L316-L318 HydrophobicContact CG-CD1 4.21Å; L316-L318 HydrophobicContact CG-CD2 4.18Å; L316-L318 HydrophobicContact CG-CG 3.95Å; L316-L332 HydrophobicContact CD2-CD1 3.62Å; L316-L332 HydrophobicContact CD2-CD2 4.24Å; L316-V344 PolarHBondContact N-O 3.11Å; L316-I345 WeakPolarHBondContact O-CA 3.4Å; L316-E346 PolarHBondContact O-N 3.2Å
317S98.6Very high97.9Very high3 Ų337.6 Ų37.62%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-103.7127.5169.2-173.10000110.6M290 L292 E346M290-S317 PolarHBondContact O-N 3.48Å; L292-S317 WeakPolarHBondContact CA-O 3.2Å; L292-S317 WeakPolarHBondContact CB-O 3.3Å; L292-S317 PolarHBondContact N-O 3.19Å; S317-E346 WeakPolarHBondContact CB-OE2 3.43Å; S317-E346 PolarHBondContact OG-OE2 2.89Å; S317-E346 VanDerWaalsContact OG-OE2 3.13Å
318L98.4Very high98Very high0 Ų037.3 Ų37.30%019%0.187CC..  trans-126.920177.7-57.2167000110.2L292 I298 L303 L316 H320 C321 E346 L347 C350L292-L318 HydrophobicContact CB-CD2 4.36Å; L292-L318 HydrophobicContact CD1-CD2 4.04Å; I298-L318 HydrophobicContact CD1-CD2 3.8Å; L303-L318 HydrophobicContact CD1-CD1 3.82Å; L303-L318 HydrophobicContact CD2-CD1 3.67Å; L303-L318 HydrophobicContact CD2-CD2 3.8Å; L303-L318 HydrophobicContact CD2-CG 4.38Å; L303-L318 HydrophobicContact CG-CD1 4.38Å; L316-L318 HydrophobicContact CD1-CD2 4.11Å; L316-L318 HydrophobicContact CD1-CG 4.39Å; L316-L318 HydrophobicContact CD2-CD1 3.89Å; L316-L318 HydrophobicContact CD2-CD2 4.33Å; L316-L318 HydrophobicContact CD2-CG 4.15Å; L316-L318 HydrophobicContact CG-CD1 4.21Å; L316-L318 HydrophobicContact CG-CD2 4.18Å; L316-L318 HydrophobicContact CG-CG 3.95Å; L318-H320 PolarHBondContact O-N 2.88Å; L318-C321 HydrophobicContact CB-CB 4.29Å; L318-C321 WeakPolarHBondContact O-CB 3.48Å; L318-C321 PolarHBondContact O-N 2.76Å; L318-C321 PolarHBondContact O-SG 3.13Å; L318-C321 VanDerWaalsContact O-SG 3.41Å; L318-E346 PolarHBondContact N-O 3.3Å; L318-L347 HydrophobicContact CB-CD2 4.07Å; L318-L347 HydrophobicContact CD1-CD2 3.75Å; L318-L347 HydrophobicContact CG-CD2 4.42Å; L318-C350 PolarHBondContact O-SG 3.37Å
319S98.2Very high98Very high4 Ų432.8 Ų32.83%0.02816%0.164CC..THydrogen-bonded Turntrans-57.3137-178.5-65.20000110.3E293 E294 C321 D348E293-S319 CarbonylContact C-O 3.55Å; E293-S319 WeakPolarHBondContact CA-O 3.43Å; E294-S319 PolarHBondContact N-O 2.98Å; S319-C321 PolarHBondContact O-N 3.34Å; S319-D348 CarbonylContact C-O 3.54Å; S319-D348 WeakPolarHBondContact CA-O 3.43Å; S319-D348 WeakPolarHBondContact OG-CB 3.4Å; S319-D348 PolarHBondContact OG-N 3.12Å; S319-D348 PolarHBondContact OG-OD2 3.41Å
320H97.9Very high98Very high59 Ų5934.1 Ų34.127%0.27317%0.167SC..THydrogen-bonded Turntrans6116.4-173.8-58.7-85.7000115.7E294 L318 E322 D348 N349E294-H320 HydrophobicContact CB-CB 4.43Å; E294-H320 HydrophobicContact CG-CB 3.66Å; L318-H320 PolarHBondContact O-N 2.88Å; H320-E322 PolarHBondContact O-N 3.28Å; H320-D348 PolarHBondContact N-O 3.44Å; H320-N349 PolarHBondContact CE1-ND2 2.99Å; H320-N349 WeakPolarHBondContact ND1-CB 3.46Å; H320-N349 PolarHBondContact NE2-ND2 3.2Å
321C97.6Very high98Very high0 Ų036.6 Ų36.60%018%0.178CC..  trans-85.581.4167.3-61.60000109.6L292 I298 L318 S319 L323 I324L292-C321 PolarHBondContact O-SG 3.41Å; I298-C321 HydrophobicContact CD1-CB 4.05Å; I298-C321 WeakPolarHBondContact CD1-SG 3.32Å; I298-C321 HydrophobicContact CG1-CB 3.97Å; L318-C321 HydrophobicContact CB-CB 4.29Å; L318-C321 WeakPolarHBondContact O-CB 3.48Å; L318-C321 PolarHBondContact O-N 2.76Å; L318-C321 PolarHBondContact O-SG 3.13Å; L318-C321 VanDerWaalsContact O-SG 3.41Å; S319-C321 PolarHBondContact O-N 3.34Å; C321-L323 PolarHBondContact O-N 3.45Å; C321-L323 VanDerWaalsContact O-N 3.11Å; C321-I324 HydrophobicContact CB-CG1 3.7Å; C321-I324 PolarHBondContact O-N 2.76Å
322E96.3Very high98Very high115 Ų11534 Ų3454%0.53716%0.161SC..THydrogen-bonded Turntrans-63.9-19.7-168.6-64.4-176.8-167.100115H320 P351 L352H320-E322 PolarHBondContact O-N 3.28Å; E322-P351 HydrophobicContact CB-CG 4.37Å; E322-L352 WeakPolarHBondContact O-CD1 3.48Å
323L98.1Very high97.9Very high87 Ų8728.8 Ų28.846%0.45514%0.142SC..THydrogen-bonded Turntrans-89.1-2.6-178.2-56.6177.1000113.8V296 I298 T299 C321V296-L323 WeakPolarHBondContact O-CD1 3.11Å; I298-L323 WeakPolarHBondContact O-CB 3.24Å; T299-L323 HydrophobicContact CG2-CB 4.17Å; T299-L323 HydrophobicContact CG2-CD1 4.01Å; C321-L323 PolarHBondContact O-N 3.45Å; C321-L323 VanDerWaalsContact O-N 3.11Å
324I98.4Very high97.7Very high0 Ų033.8 Ų33.80%017%0.169CC..  trans-76.2132176.2-62.5-55.9000110.1I298 T299 L303 C321 I329 L352I298-I324 HydrophobicContact CG1-CD1 4.23Å; T299-I324 VanDerWaalsContact C-CD1 3.44Å; T299-I324 WeakPolarHBondContact O-CD1 3.43Å; L303-I324 HydrophobicContact CD1-CD1 3.88Å; L303-I324 HydrophobicContact CD1-CG1 4.48Å; L303-I324 HydrophobicContact CD1-CG2 3.71Å; L303-I324 HydrophobicContact CG-CD1 3.97Å; C321-I324 HydrophobicContact CB-CG1 3.7Å; C321-I324 PolarHBondContact O-N 2.76Å; I324-I329 HydrophobicContact CG2-CD1 4.23Å; I324-I329 HydrophobicContact CG2-CG1 4.45Å; I324-L352 WeakPolarHBondContact O-CB 3.28Å
325T98.6Very high97.5Very high42 Ų4232.1 Ų32.126%0.25816%0.163SC..  trans-120.4177.2-179.785.10000112.1D300 D327 G328 I329 L352D300-T325 PolarHBondContact OD1-N 3.06Å; D300-T325 WeakPolarHBondContact OD2-CB 3.19Å; D300-T325 PolarHBondContact OD2-OG1 3.44Å; T325-D327 PolarHBondContact O-N 3.43Å; T325-D327 VanDerWaalsContact O-N 3.11Å; T325-D327 PolarHBondContact OG1-N 2.99Å; T325-D327 VanDerWaalsContact OG1-N 3.14Å; T325-G328 PolarHBondContact O-N 3.49Å; T325-I329 PolarHBondContact O-N 3.41Å; T325-L352 HydrophobicContact CG2-CB 4.19Å; T325-L352 HydrophobicContact CG2-CD1 3.92Å
326D98.6Very high97.1Very high30 Ų3033.9 Ų33.916%0.1618%0.181CC..Hα-helixtrans-55.1-26.1172.7-64.8-43.5000113.1I329 R330 T354 A356 S357D326-I329 PolarHBondContact O-N 3.43Å; D326-R330 VanDerWaalsContact O-CB 3.31Å; D326-R330 WeakPolarHBondContact O-CB 3.29Å; D326-R330 PolarHBondContact O-N 3.3Å; D326-T354 PolarHBondContact OD1-N 3.44Å; D326-T354 PolarHBondContact OD1-OG1 2.83Å; D326-T354 WeakPolarHBondContact OD2-CB 3.32Å; D326-T354 WeakPolarHBondContact OD2-CG2 3.35Å; D326-T354 PolarHBondContact OD2-OG1 3.33Å; D326-A356 HydrophobicContact CB-CB 4.22Å; D326-S357 WeakPolarHBondContact CA-OG 3.48Å; D326-S357 VanDerWaalsContact OD1-CB 3.25Å; D326-S357 WeakPolarHBondContact OD1-CB 3.36Å; D326-S357 PolarHBondContact OD1-N 3.24Å; D326-S357 PolarHBondContact OD1-OG 3.04Å
327D98.4Very high96.7Very high64 Ų6433.9 Ų33.934%0.34218%0.181SC..Hα-helixtrans-70.6-42.3-178.8-162.367.9000112.9T325 I329 R330 H331T325-D327 PolarHBondContact O-N 3.43Å; T325-D327 VanDerWaalsContact O-N 3.11Å; T325-D327 PolarHBondContact OG1-N 2.99Å; T325-D327 VanDerWaalsContact OG1-N 3.14Å; D327-I329 VanDerWaalsContact C-N 3.33Å; D327-I329 PolarHBondContact O-N 2.97Å; D327-R330 VanDerWaalsContact CG-NH2 3.29Å; D327-R330 VanDerWaalsContact O-CB 3.31Å; D327-R330 WeakPolarHBondContact O-CB 3.3Å; D327-R330 PolarHBondContact O-N 3.17Å; D327-R330 IonicContact OD1-CZ 3.93Å; D327-R330 IonicContact OD1-NE 3.89Å; D327-R330 PolarHBondContact OD1-NE 3.11Å; D327-R330 IonicContact OD1-NH2 3.82Å; D327-R330 PolarHBondContact OD1-NH2 3.16Å; D327-R330 IonicContact OD2-NH2 3.79Å; D327-R330 PolarHBondContact OD2-NH2 3.12Å; D327-H331 PolarHBondContact O-CD2 2.87Å; D327-H331 PolarHBondContact O-N 3.43Å; D327-H331 IonicContact OD2-CD2 2.87Å; D327-H331 IonicContact OD2-NE2 2.81Å
328G98.1Very high96.2Very high0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-63.8-40.4174.300000111.8D300 T325 H331 L332D300-G328 VanDerWaalsContact OD1-CA 3.31Å; D300-G328 WeakPolarHBondContact OD1-CA 3.22Å; D300-G328 PolarHBondContact OD1-N 2.83Å; T325-G328 PolarHBondContact O-N 3.49Å; G328-H331 PolarHBondContact O-N 3.13Å; G328-L332 PolarHBondContact O-N 3.3Å
329I98.3Very high95.5Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-66.3-38.1174.6-56-56.3000111.5L303 I324 T325 D326 D327 H331 L332 G333 I345 L347 S357 L361L303-I329 HydrophobicContact CD1-CD1 4.09Å; I324-I329 HydrophobicContact CG2-CD1 4.23Å; I324-I329 HydrophobicContact CG2-CG1 4.45Å; T325-I329 PolarHBondContact O-N 3.41Å; D326-I329 PolarHBondContact O-N 3.43Å; D327-I329 VanDerWaalsContact C-N 3.33Å; D327-I329 PolarHBondContact O-N 2.97Å; I329-H331 VanDerWaalsContact C-N 3.28Å; I329-H331 PolarHBondContact O-N 3.11Å; I329-L332 HydrophobicContact CD1-CD1 4.3Å; I329-L332 PolarHBondContact O-N 2.66Å; I329-G333 PolarHBondContact O-N 3.26Å; I329-I345 HydrophobicContact CD1-CD1 4.06Å; I329-L347 HydrophobicContact CD1-CD1 4.07Å; I329-L347 HydrophobicContact CD1-CD2 3.81Å; I329-S357 WeakPolarHBondContact CG1-OG 3.41Å; I329-L361 HydrophobicContact CG2-CD1 3.97Å; I329-L361 HydrophobicContact CG2-CD2 3.89Å; I329-L361 HydrophobicContact CG2-CG 3.71Å
330R98.1Very high95.1Very high78 Ų7843.5 Ų43.529%0.29423%0.228SC..Hα-helixtrans-57.1-41.9172.2-176.8-174.961.765.40.1111.6D326 D327 N334 H360D326-R330 VanDerWaalsContact O-CB 3.31Å; D326-R330 WeakPolarHBondContact O-CB 3.29Å; D326-R330 PolarHBondContact O-N 3.3Å; D327-R330 VanDerWaalsContact CG-NH2 3.29Å; D327-R330 VanDerWaalsContact O-CB 3.31Å; D327-R330 WeakPolarHBondContact O-CB 3.3Å; D327-R330 PolarHBondContact O-N 3.17Å; D327-R330 IonicContact OD1-CZ 3.93Å; D327-R330 IonicContact OD1-NE 3.89Å; D327-R330 PolarHBondContact OD1-NE 3.11Å; D327-R330 IonicContact OD1-NH2 3.82Å; D327-R330 PolarHBondContact OD1-NH2 3.16Å; D327-R330 IonicContact OD2-NH2 3.79Å; D327-R330 PolarHBondContact OD2-NH2 3.12Å; R330-N334 PolarHBondContact O-N 3.35Å; R330-N334 PolarHBondContact O-ND2 3.46Å; R330-H360 HydrophobicContact CB-CB 4.44Å
331H97.4Very high95Very high51 Ų5146.5 Ų46.524%0.23624%0.237CC..Hα-helixtrans-67.8-45176.6-87.3-79.4000112.3I304 S307 D327 G328 I329 G333 N334 G335I304-H331 HydrophobicContact CG1-CB 3.9Å; S307-H331 WeakPolarHBondContact CB-O 3.36Å; D327-H331 PolarHBondContact O-CD2 2.87Å; D327-H331 PolarHBondContact O-N 3.43Å; D327-H331 IonicContact OD2-CD2 2.87Å; D327-H331 IonicContact OD2-NE2 2.81Å; G328-H331 PolarHBondContact O-N 3.13Å; I329-H331 VanDerWaalsContact C-N 3.28Å; I329-H331 PolarHBondContact O-N 3.11Å; H331-G333 PolarHBondContact O-N 2.92Å; H331-N334 CarbonylContact O-C 3.39Å; H331-N334 PolarHBondContact O-N 2.67Å; H331-G335 PolarHBondContact O-N 3.23Å
332L95.9Very high95Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-58-46.9173.4-79.9174.2000112.4L303 L316 G328 I329 N334 G335 A338 I345L303-L332 HydrophobicContact CB-CD1 4.27Å; L303-L332 HydrophobicContact CB-CG 4.11Å; L303-L332 HydrophobicContact CD1-CD1 3.88Å; L303-L332 HydrophobicContact CD2-CD1 4.04Å; L303-L332 HydrophobicContact CG-CD1 4.27Å; L316-L332 HydrophobicContact CD2-CD1 3.62Å; L316-L332 HydrophobicContact CD2-CD2 4.24Å; G328-L332 PolarHBondContact O-N 3.3Å; I329-L332 HydrophobicContact CD1-CD1 4.3Å; I329-L332 PolarHBondContact O-N 2.66Å; L332-N334 PolarHBondContact O-N 3.47Å; L332-G335 PolarHBondContact O-N 3.4Å; L332-A338 VanDerWaalsContact O-CB 3.3Å; L332-A338 WeakPolarHBondContact O-CB 3.48Å; L332-I345 HydrophobicContact CD1-CD1 4.33Å
333G95.7Very high95.1Very high0 Ų044.2 Ų44.20%023%0.227CC..Hα-helixtrans-65.6-18.8-179.500000114.5I329 H331 A338 S363I329-G333 PolarHBondContact O-N 3.26Å; H331-G333 PolarHBondContact O-N 2.92Å; G333-A338 VanDerWaalsContact O-CB 3.24Å; G333-A338 WeakPolarHBondContact O-CB 3.39Å; G333-S363 PolarHBondContact O-OG 2.96Å
334N94.6Very high95.1Very high105 Ų10540.8 Ų40.856%0.56121%0.209SC*.THydrogen-bonded Turntrans-104.31.4172.8-66.4-54.8000113.1R330 H331 L332R330-N334 PolarHBondContact O-N 3.35Å; R330-N334 PolarHBondContact O-ND2 3.46Å; H331-N334 CarbonylContact O-C 3.39Å; H331-N334 PolarHBondContact O-N 2.67Å; L332-N334 PolarHBondContact O-N 3.47Å
335G93Very high95.1Very high7 Ų740.8 Ų40.87%0.07221%0.209CC..SBendtrans-74.9170-176.100000113.6S307 H331 L332 C337 A338S307-G335 WeakPolarHBondContact O-CA 3.47Å; H331-G335 PolarHBondContact O-N 3.23Å; L332-G335 PolarHBondContact O-N 3.4Å; G335-C337 PolarHBondContact O-N 3.33Å; G335-A338 VanDerWaalsContact O-CB 3.32Å; G335-A338 WeakPolarHBondContact O-CB 3.32Å; G335-A338 PolarHBondContact O-N 3.22Å; G335-A338 VanDerWaalsContact O-N 3.13Å
336A90.1Very high95.1Very high67 Ų6740.3 Ų40.355%0.55420%0.204SC*.THydrogen-bonded Turntrans-63.6-27.7-178.100000113.5S307 P311S307-A336 PolarHBondContact O-N 2.97Å; S307-A336 VanDerWaalsContact O-N 3.08Å; P311-A336 HydrophobicContact CB-CB 3.89Å
337C90.6Very high95Very high0 Ų038.9 Ų38.90%020%0.196CC..THydrogen-bonded Turntrans-84.1-18.7177.559.30000113.8L313 G335 H339 R341 L342L313-C337 HydrophobicContact CB-CB 4.04Å; G335-C337 PolarHBondContact O-N 3.33Å; C337-H339 PolarHBondContact O-N 3.24Å; C337-R341 HydrophobicContact CB-CB 4.24Å; C337-R341 WeakPolarHBondContact O-CA 3.14Å; C337-R341 WeakPolarHBondContact O-CB 3.44Å; C337-R341 PolarHBondContact O-N 3.21Å; C337-R341 VanDerWaalsContact O-N 3.07Å; C337-L342 PolarHBondContact O-N 2.88Å
338A87.6Confident95Very high0 Ų036.7 Ų36.70%019%0.185CC..THydrogen-bonded Turntrans-57-48.9-165.400000113L332 G333 G335 C364L332-A338 VanDerWaalsContact O-CB 3.3Å; L332-A338 WeakPolarHBondContact O-CB 3.48Å; G333-A338 VanDerWaalsContact O-CB 3.24Å; G333-A338 WeakPolarHBondContact O-CB 3.39Å; G335-A338 VanDerWaalsContact O-CB 3.32Å; G335-A338 WeakPolarHBondContact O-CB 3.32Å; G335-A338 PolarHBondContact O-N 3.22Å; G335-A338 VanDerWaalsContact O-N 3.13Å; A338-C364 WeakPolarHBondContact O-CA 3.05Å; A338-C364 WeakPolarHBondContact O-CB 3.29Å
339H85Confident94.9Very high86 Ų8639 Ų3940%0.39820%0.197SC..THydrogen-bonded Turntrans-72.4-43.5-162.2-65.959.3000112.5C337 H365C337-H339 PolarHBondContact O-N 3.24Å; H339-H365 PolarHBondContact O-N 3.38Å
340D89.6Confident94.8Very high122 Ų12239 Ų3965%0.65220%0.197SC*.THydrogen-bonded Turntrans-124.9-8.9-167.5-59.8-24.6000114S366D340-S366 VanDerWaalsContact CA-OG 3.32Å; D340-S366 WeakPolarHBondContact CA-OG 3.23Å; D340-S366 PolarHBondContact O-OG 2.99Å
341R95.5Very high94.7Very high122 Ų12237.9 Ų37.946%0.4620%0.2SC..THydrogen-bonded Turntrans-118.9-36.5-170.5-59.2-64.7-169.8169.6-2.1114.4L313 Q314 C337 E343L313-R341 CarbonylContact O-C 3.49Å; L313-R341 WeakPolarHBondContact O-CB 3.43Å; Q314-R341 VanDerWaalsContact CA-O 3.3Å; Q314-R341 WeakPolarHBondContact CA-O 3.39Å; Q314-R341 VanDerWaalsContact CG-O 3.28Å; Q314-R341 WeakPolarHBondContact CG-O 3.31Å; C337-R341 HydrophobicContact CB-CB 4.24Å; C337-R341 WeakPolarHBondContact O-CA 3.14Å; C337-R341 WeakPolarHBondContact O-CB 3.44Å; C337-R341 PolarHBondContact O-N 3.21Å; C337-R341 VanDerWaalsContact O-N 3.07Å; R341-E343 PolarHBondContact O-N 3.48Å
342L96.9Very high94.7Very high0 Ų039 Ų390%021%0.208CC..  trans-71.3112.3-175.3-170.267.6000110.5C337 S366 L367C337-L342 PolarHBondContact O-N 2.88Å; L342-S366 CarbonylContact O-C 3.45Å; L342-S366 VanDerWaalsContact O-C 3.25Å; L342-L367 HydrophobicContact CG-CD1 4.29Å; L342-L367 VanDerWaalsContact O-CA 3.3Å; L342-L367 WeakPolarHBondContact O-CA 3.43Å; L342-L367 PolarHBondContact O-N 3.35Å
343E97.7Very high94.7Very high67 Ų6739.1 Ų39.131%0.31321%0.208SC..  trans-106.6-36.4-173.7-73.2169.7-161.500112.2Q314 R341 E368 R369Q314-E343 PolarHBondContact O-N 3.05Å; R341-E343 PolarHBondContact O-N 3.48Å; E343-E368 PolarHBondContact O-N 3.42Å; E343-R369 PolarHBondContact O-N 2.64Å
344V98.5Very high94.8Very high15 Ų1540.7 Ų40.79%0.09122%0.218CC..EExtended strand (participates in β ladder)trans-136129.7-175.9-178.70000110.5Q314 V315 L316 E346 R369Q314-V344 PolarHBondContact O-N 3.14Å; V315-V344 WeakPolarHBondContact CA-O 3.25Å; V315-V344 HydrophobicContact CB-CB 4.34Å; V315-V344 HydrophobicContact CG1-CB 4.07Å; V315-V344 HydrophobicContact CG1-CG1 4.25Å; V315-V344 HydrophobicContact CG2-CB 4.05Å; V315-V344 HydrophobicContact CG2-CG2 4.13Å; L316-V344 PolarHBondContact N-O 3.11Å; V344-E346 HydrophobicContact CG1-CG 4.05Å; V344-R369 WeakPolarHBondContact CA-O 3.26Å; V344-R369 HydrophobicContact CG1-CB 4.39Å; V344-R369 HydrophobicContact CG2-CB 4.21Å
345I98.1Very high95Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-129124.5168.1-162.1174.3000110.5L316 I329 L332 L347 L361 L367 R369 I370 E371L316-I345 WeakPolarHBondContact O-CA 3.4Å; I329-I345 HydrophobicContact CD1-CD1 4.06Å; L332-I345 HydrophobicContact CD1-CD1 4.33Å; I345-L347 HydrophobicContact CD1-CD1 4.14Å; I345-L347 HydrophobicContact CD1-CD2 4Å; I345-L347 HydrophobicContact CD1-CG 4.21Å; I345-L347 HydrophobicContact CG1-CD1 4.39Å; I345-L347 HydrophobicContact CG1-CD2 3.95Å; I345-L347 HydrophobicContact CG1-CG 4Å; I345-L361 HydrophobicContact CD1-CD1 4.47Å; I345-L361 HydrophobicContact CD1-CD2 4.42Å; I345-L361 HydrophobicContact CG2-CD1 4.21Å; I345-L367 HydrophobicContact CB-CD1 4.46Å; I345-L367 HydrophobicContact CG2-CD1 4.08Å; I345-L367 HydrophobicContact CG2-CD2 4.42Å; I345-R369 PolarHBondContact N-O 3.49Å; I345-R369 VanDerWaalsContact N-O 3.12Å; I345-I370 HydrophobicContact CG2-CB 3.95Å; I345-I370 HydrophobicContact CG2-CD1 3.67Å; I345-I370 HydrophobicContact CG2-CG1 3.55Å; I345-I370 VanDerWaalsContact O-CA 3.27Å; I345-I370 WeakPolarHBondContact O-CA 3.49Å; I345-E371 PolarHBondContact O-N 3.41Å
346E98.6Very high95.2Very high32 Ų3238.3 Ų38.315%0.1521%0.208CC..EExtended strand (participates in β ladder)trans-111.5117.9178.4-58.2173.417900107.7L316 S317 L318 V344 R369 E371L316-E346 PolarHBondContact O-N 3.2Å; S317-E346 WeakPolarHBondContact CB-OE2 3.43Å; S317-E346 PolarHBondContact OG-OE2 2.89Å; S317-E346 VanDerWaalsContact OG-OE2 3.13Å; L318-E346 PolarHBondContact N-O 3.3Å; V344-E346 HydrophobicContact CG1-CG 4.05Å; E346-R369 IonicContact OE1-CZ 3.72Å; E346-R369 IonicContact OE1-NH1 3.71Å; E346-R369 IonicContact OE1-NH2 3.38Å; E346-R369 PolarHBondContact OE1-NH2 2.98Å; E346-E371 HydrophobicContact CB-CB 4.31Å; E346-E371 HydrophobicContact CG-CB 4.24Å; E346-E371 HydrophobicContact CG-CG 4Å
347L98.1Very high95.6Very high0 Ų035.1 Ų35.10%018%0.182CC..  trans-126.323.8-173.4-59.2174.7000111.2L318 I329 I345 N349 C350 I353 E371 L372 C375L318-L347 HydrophobicContact CB-CD2 4.07Å; L318-L347 HydrophobicContact CD1-CD2 3.75Å; L318-L347 HydrophobicContact CG-CD2 4.42Å; I329-L347 HydrophobicContact CD1-CD1 4.07Å; I329-L347 HydrophobicContact CD1-CD2 3.81Å; I345-L347 HydrophobicContact CD1-CD1 4.14Å; I345-L347 HydrophobicContact CD1-CD2 4Å; I345-L347 HydrophobicContact CD1-CG 4.21Å; I345-L347 HydrophobicContact CG1-CD1 4.39Å; I345-L347 HydrophobicContact CG1-CD2 3.95Å; I345-L347 HydrophobicContact CG1-CG 4Å; L347-N349 PolarHBondContact O-N 3.32Å; L347-C350 WeakPolarHBondContact O-CB 3.14Å; L347-C350 PolarHBondContact O-N 3.42Å; L347-C350 PolarHBondContact O-SG 3.43Å; L347-I353 HydrophobicContact CB-CD1 3.7Å; L347-I353 HydrophobicContact CD1-CD1 3.76Å; L347-I353 HydrophobicContact CG-CD1 4.33Å; L347-E371 PolarHBondContact N-O 3.27Å; L347-L372 HydrophobicContact CB-CD2 4.16Å; L347-L372 HydrophobicContact CD1-CD2 4.09Å; L347-C375 PolarHBondContact O-SG 2.92Å
348D97.1Very high95.9Very high19 Ų1935.2 Ų35.210%0.10218%0.182CC..THydrogen-bonded Turntrans-60.5140.9-174.6-55.8-47.8000110.5S319 H320 C350 E371 L372 Y373S319-D348 CarbonylContact C-O 3.54Å; S319-D348 WeakPolarHBondContact CA-O 3.43Å; S319-D348 WeakPolarHBondContact OG-CB 3.4Å; S319-D348 PolarHBondContact OG-N 3.12Å; S319-D348 PolarHBondContact OG-OD2 3.41Å; H320-D348 PolarHBondContact N-O 3.44Å; D348-C350 PolarHBondContact O-N 3.06Å; D348-E371 WeakPolarHBondContact OD1-CB 3.33Å; D348-L372 PolarHBondContact OD1-N 3.49Å; D348-L372 VanDerWaalsContact OD1-N 3.1Å; D348-Y373 CarbonylContact C-O 3.51Å; D348-Y373 VanDerWaalsContact CA-O 3.3Å; D348-Y373 WeakPolarHBondContact CA-O 3.3Å; D348-Y373 VanDerWaalsContact OD1-CB 3.31Å; D348-Y373 WeakPolarHBondContact OD1-CB 3.47Å; D348-Y373 WeakPolarHBondContact OD1-CD2 3.44Å; D348-Y373 PolarHBondContact OD1-N 2.99Å
349N95.9Very high96.4Very high49 Ų4938.5 Ų38.526%0.26220%0.198SC..THydrogen-bonded Turntrans5731.6-178.5-62-87.7000114.2H320 L347 P351 Y373 D374H320-N349 PolarHBondContact CE1-ND2 2.99Å; H320-N349 WeakPolarHBondContact ND1-CB 3.46Å; H320-N349 PolarHBondContact NE2-ND2 3.2Å; L347-N349 PolarHBondContact O-N 3.32Å; N349-P351 VanDerWaalsContact O-CD 3.24Å; N349-P351 WeakPolarHBondContact O-CD 3.34Å; N349-Y373 PolarHBondContact N-O 3.46Å; N349-D374 WeakPolarHBondContact OD1-CB 3.43Å
350C96.6Very high96.9Very high0 Ų037.2 Ų37.20%019%0.192CC..  trans-94.296.3164.6-67.60000109.6L318 L347 D348 L352 I353L318-C350 PolarHBondContact O-SG 3.37Å; L347-C350 WeakPolarHBondContact O-CB 3.14Å; L347-C350 PolarHBondContact O-N 3.42Å; L347-C350 PolarHBondContact O-SG 3.43Å; D348-C350 PolarHBondContact O-N 3.06Å; C350-L352 VanDerWaalsContact C-N 3.26Å; C350-L352 PolarHBondContact O-N 2.85Å; C350-I353 HydrophobicContact CB-CD1 4.21Å; C350-I353 HydrophobicContact CB-CG1 4.33Å; C350-I353 HydrophobicContact CB-CG2 3.95Å; C350-I353 WeakPolarHBondContact O-CG1 3.37Å
351P95.8Very high97.3Very high53 Ų5331.4 Ų31.434%0.34416%0.161SC..THydrogen-bonded Turntrans-72.9-15.6-169.529.8-35.5000114.2E322 N349 Q377E322-P351 HydrophobicContact CB-CG 4.37Å; N349-P351 VanDerWaalsContact O-CD 3.24Å; N349-P351 WeakPolarHBondContact O-CD 3.34Å; P351-Q377 PolarHBondContact O-NE2 2.94Å
352L97.3Very high97.2Very high76 Ų7627.5 Ų27.540%0.39815%0.147SC..THydrogen-bonded Turntrans-95.2-6.8-175.1-57.9179.6000114E322 I324 T325 C350E322-L352 WeakPolarHBondContact O-CD1 3.48Å; I324-L352 WeakPolarHBondContact O-CB 3.28Å; T325-L352 HydrophobicContact CG2-CB 4.19Å; T325-L352 HydrophobicContact CG2-CD1 3.92Å; C350-L352 VanDerWaalsContact C-N 3.26Å; C350-L352 PolarHBondContact O-N 2.85Å
353I97.2Very high96.9Very high1 Ų128.9 Ų28.91%0.00516%0.157CC..  trans-80.5140.3175.774.6178.6000110.4L347 C350 L372 C375 Q377 I378L347-I353 HydrophobicContact CB-CD1 3.7Å; L347-I353 HydrophobicContact CD1-CD1 3.76Å; L347-I353 HydrophobicContact CG-CD1 4.33Å; C350-I353 HydrophobicContact CB-CD1 4.21Å; C350-I353 HydrophobicContact CB-CG1 4.33Å; C350-I353 HydrophobicContact CB-CG2 3.95Å; C350-I353 WeakPolarHBondContact O-CG1 3.37Å; I353-L372 HydrophobicContact CD1-CD2 3.77Å; I353-C375 HydrophobicContact CD1-CB 4.08Å; I353-C375 VanDerWaalsContact CD1-SG 3.54Å; I353-C375 HydrophobicContact CG1-CB 4.11Å; I353-Q377 WeakPolarHBondContact O-CB 3.46Å; I353-I378 HydrophobicContact CD1-CD1 4.47Å; I353-I378 HydrophobicContact CD1-CG1 4.37Å; I353-I378 HydrophobicContact CG1-CD1 4.23Å; I353-I378 HydrophobicContact CG1-CG1 4.12Å
354T98.1Very high96.7Very high34 Ų3425.7 Ų25.721%0.20914%0.142CC..  trans-125.8-178-178.979.50000111.2D326 A356 S357 Q377 I378D326-T354 PolarHBondContact OD1-N 3.44Å; D326-T354 PolarHBondContact OD1-OG1 2.83Å; D326-T354 WeakPolarHBondContact OD2-CB 3.32Å; D326-T354 WeakPolarHBondContact OD2-CG2 3.35Å; D326-T354 PolarHBondContact OD2-OG1 3.33Å; T354-A356 PolarHBondContact O-N 2.8Å; T354-A356 WeakPolarHBondContact OG1-CB 3.47Å; T354-A356 PolarHBondContact OG1-N 3.14Å; T354-A356 VanDerWaalsContact OG1-N 3.14Å; T354-S357 WeakPolarHBondContact O-CB 3.35Å; T354-S357 PolarHBondContact O-N 2.81Å; T354-Q377 HydrophobicContact CG2-CB 3.93Å; T354-I378 WeakPolarHBondContact O-CD1 3.46Å
355D97.9Very high96.5Very high26 Ų2631 Ų3114%0.13917%0.166CC..Hα-helixtrans-51.2-23.9170.8-85.611000113.2L358 E359 T379 G382 R385D355-L358 WeakPolarHBondContact O-CB 3.46Å; D355-L358 PolarHBondContact O-N 3Å; D355-E359 WeakPolarHBondContact O-CG 3.48Å; D355-E359 PolarHBondContact O-N 3.27Å; D355-E359 VanDerWaalsContact O-N 3.16Å; D355-T379 PolarHBondContact OD1-N 3.28Å; D355-T379 PolarHBondContact OD1-OG1 2.84Å; D355-T379 PolarHBondContact OD2-OG1 2.65Å; D355-G382 VanDerWaalsContact OD2-CA 3.29Å; D355-G382 WeakPolarHBondContact OD2-CA 3.48Å; D355-G382 PolarHBondContact OD2-N 3.14Å; D355-R385 IonicContact OD2-CZ 3.13Å; D355-R385 IonicContact OD2-NH1 3.23Å; D355-R385 IonicContact OD2-NH2 2.76Å; D355-R385 PolarHBondContact OD2-NH2 3.3Å
356A98Very high96.3Very high36 Ų3632.9 Ų32.930%0.29818%0.178SC..Hα-helixtrans-63.9-40.5176.200000112.5D326 T354 L358 E359 H360D326-A356 HydrophobicContact CB-CB 4.22Å; T354-A356 PolarHBondContact O-N 2.8Å; T354-A356 WeakPolarHBondContact OG1-CB 3.47Å; T354-A356 PolarHBondContact OG1-N 3.14Å; T354-A356 VanDerWaalsContact OG1-N 3.14Å; A356-L358 PolarHBondContact O-N 3.16Å; A356-E359 WeakPolarHBondContact O-CB 3.43Å; A356-E359 PolarHBondContact O-N 2.6Å; A356-H360 PolarHBondContact O-CD2 3.16Å; A356-H360 PolarHBondContact O-N 3.06Å
357S97.8Very high96.3Very high0 Ų031.8 Ų31.80%017%0.173CC..Hα-helixtrans-52.2-43.9170.5-78.20000112D326 I329 T354 E359 H360 L361D326-S357 WeakPolarHBondContact CA-OG 3.48Å; D326-S357 VanDerWaalsContact OD1-CB 3.25Å; D326-S357 WeakPolarHBondContact OD1-CB 3.36Å; D326-S357 PolarHBondContact OD1-N 3.24Å; D326-S357 PolarHBondContact OD1-OG 3.04Å; I329-S357 WeakPolarHBondContact CG1-OG 3.41Å; T354-S357 WeakPolarHBondContact O-CB 3.35Å; T354-S357 PolarHBondContact O-N 2.81Å; S357-E359 VanDerWaalsContact C-N 3.32Å; S357-E359 PolarHBondContact O-N 2.87Å; S357-H360 PolarHBondContact O-N 3.01Å; S357-L361 WeakPolarHBondContact O-CG 3.4Å; S357-L361 PolarHBondContact O-N 3.39Å; S357-L361 VanDerWaalsContact O-N 3.14Å
358L97.6Very high96.2Very high1 Ų137.5 Ų37.51%0.00520%0.2CC..Hα-helixtrans-67.8-33179.1-53.5-174.9000112.3D355 A356 H360 L361 I370 L372 I378 I383 L386D355-L358 WeakPolarHBondContact O-CB 3.46Å; D355-L358 PolarHBondContact O-N 3Å; A356-L358 PolarHBondContact O-N 3.16Å; L358-H360 VanDerWaalsContact C-N 3.33Å; L358-L361 PolarHBondContact O-N 2.91Å; L358-I370 HydrophobicContact CD2-CD1 3.94Å; L358-L372 HydrophobicContact CD2-CD1 3.8Å; L358-L372 HydrophobicContact CD2-CD2 4.38Å; L358-I378 HydrophobicContact CD1-CD1 3.97Å; L358-I378 HydrophobicContact CD1-CG2 3.88Å; L358-I378 HydrophobicContact CD2-CD1 4.11Å; L358-I378 HydrophobicContact CG-CD1 3.81Å; L358-I383 HydrophobicContact CD1-CG1 3.91Å; L358-L386 HydrophobicContact CB-CB 4.46Å; L358-L386 HydrophobicContact CB-CD2 4.43Å; L358-L386 HydrophobicContact CD2-CD2 4.1Å
359E96.9Very high96.3Very high69 Ų6940.2 Ų40.232%0.32221%0.209SC..Hα-helixtrans-65.9-38.1173.5-64.4-68.2138.600111.3D355 A356 S357 L361 K362 R385D355-E359 WeakPolarHBondContact O-CG 3.48Å; D355-E359 PolarHBondContact O-N 3.27Å; D355-E359 VanDerWaalsContact O-N 3.16Å; A356-E359 WeakPolarHBondContact O-CB 3.43Å; A356-E359 PolarHBondContact O-N 2.6Å; S357-E359 VanDerWaalsContact C-N 3.32Å; S357-E359 PolarHBondContact O-N 2.87Å; E359-L361 VanDerWaalsContact C-N 3.34Å; E359-L361 PolarHBondContact O-N 3.07Å; E359-K362 WeakPolarHBondContact O-CB 3.41Å; E359-K362 WeakPolarHBondContact O-CG 3.48Å; E359-K362 PolarHBondContact O-N 2.57Å; E359-K362 IonicContact OE1-NZ 2.73Å; E359-K362 PolarHBondContact OE1-NZ 3.29Å; E359-K362 VanDerWaalsContact OE2-CE 3.24Å; E359-K362 WeakPolarHBondContact OE2-CE 3.47Å; E359-K362 IonicContact OE2-NZ 2.91Å; E359-K362 PolarHBondContact OE2-NZ 3.01Å; E359-R385 IonicContact OE1-CZ 2.65Å; E359-R385 IonicContact OE1-NE 2.86Å; E359-R385 PolarHBondContact OE1-NE 3.12Å; E359-R385 IonicContact OE1-NH2 3.22Å
360H96.8Very high96.4Very high59 Ų5937.9 Ų37.927%0.27320%0.196SC..Hα-helixtrans-69.5-28.2177.4-65-43.1000114.1R330 A356 S357 L358 K362 S363R330-H360 HydrophobicContact CB-CB 4.44Å; A356-H360 PolarHBondContact O-CD2 3.16Å; A356-H360 PolarHBondContact O-N 3.06Å; S357-H360 PolarHBondContact O-N 3.01Å; L358-H360 VanDerWaalsContact C-N 3.33Å; H360-K362 VanDerWaalsContact C-N 3.3Å; H360-K362 PolarHBondContact O-N 3.17Å; H360-S363 PolarHBondContact O-OG 3.26Å
361L96.3Very high96.4Very high0 Ų039 Ų390%020%0.202CC..G310 helixtrans-83.3-0.8179.4-67.4173.4000114I329 I345 S357 L358 E359 S363 C364 L367 I370I329-L361 HydrophobicContact CG2-CD1 3.97Å; I329-L361 HydrophobicContact CG2-CD2 3.89Å; I329-L361 HydrophobicContact CG2-CG 3.71Å; I345-L361 HydrophobicContact CD1-CD1 4.47Å; I345-L361 HydrophobicContact CD1-CD2 4.42Å; I345-L361 HydrophobicContact CG2-CD1 4.21Å; S357-L361 WeakPolarHBondContact O-CG 3.4Å; S357-L361 PolarHBondContact O-N 3.39Å; S357-L361 VanDerWaalsContact O-N 3.14Å; L358-L361 PolarHBondContact O-N 2.91Å; E359-L361 VanDerWaalsContact C-N 3.34Å; E359-L361 PolarHBondContact O-N 3.07Å; L361-S363 PolarHBondContact O-N 3.44Å; L361-C364 WeakPolarHBondContact O-CB 3.06Å; L361-C364 PolarHBondContact O-N 3.15Å; L361-C364 VanDerWaalsContact O-N 3.07Å; L361-L367 HydrophobicContact CB-CD2 4.34Å; L361-I370 HydrophobicContact CD1-CD1 3.63Å
362K94Very high96.5Very high40 Ų4036.7 Ų36.717%0.17419%0.186CC..G310 helixtrans-63.4-27.6177.4-72.7176.7173.8-179.60113.7E359 H360 C364 L386 H389E359-K362 WeakPolarHBondContact O-CB 3.41Å; E359-K362 WeakPolarHBondContact O-CG 3.48Å; E359-K362 PolarHBondContact O-N 2.57Å; E359-K362 IonicContact OE1-NZ 2.73Å; E359-K362 PolarHBondContact OE1-NZ 3.29Å; E359-K362 VanDerWaalsContact OE2-CE 3.24Å; E359-K362 WeakPolarHBondContact OE2-CE 3.47Å; E359-K362 IonicContact OE2-NZ 2.91Å; E359-K362 PolarHBondContact OE2-NZ 3.01Å; H360-K362 VanDerWaalsContact C-N 3.3Å; H360-K362 PolarHBondContact O-N 3.17Å; K362-C364 PolarHBondContact O-N 3.26Å; K362-L386 HydrophobicContact CG-CD1 4.22Å; K362-H389 WeakPolarHBondContact CE-ND1 3.42Å; K362-H389 HydrophobicContact CG-CB 4.21Å; K362-H389 PolarHBondContact NZ-CE1 3.32Å; K362-H389 VanDerWaalsContact NZ-CE1 3.3Å
363S90.5Very high96.3Very high29 Ų2937.5 Ų37.520%0.20319%0.185CC..G310 helixtrans-72.8-12.8175.547.50000113G333 H360 L361 H365G333-S363 PolarHBondContact O-OG 2.96Å; H360-S363 PolarHBondContact O-OG 3.26Å; L361-S363 PolarHBondContact O-N 3.44Å; S363-H365 PolarHBondContact O-CE1 2.99Å; S363-H365 PolarHBondContact O-N 2.82Å; S363-H365 VanDerWaalsContact O-N 3.1Å; S363-H365 PolarHBondContact O-ND1 3.48Å
364C94.8Very high96.1Very high0 Ų041.6 Ų41.60%021%0.207CC..  trans-85.178.3-178.7-54.20000111A338 L361 K362 S366 L367A338-C364 WeakPolarHBondContact O-CA 3.05Å; A338-C364 WeakPolarHBondContact O-CB 3.29Å; L361-C364 WeakPolarHBondContact O-CB 3.06Å; L361-C364 PolarHBondContact O-N 3.15Å; L361-C364 VanDerWaalsContact O-N 3.07Å; K362-C364 PolarHBondContact O-N 3.26Å; C364-S366 VanDerWaalsContact C-N 3.26Å; C364-S366 PolarHBondContact O-N 3.4Å; C364-L367 HydrophobicContact CB-CB 3.94Å; C364-L367 HydrophobicContact CB-CD2 4.45Å; C364-L367 WeakPolarHBondContact O-CB 3.49Å; C364-L367 PolarHBondContact O-N 3.36Å; C364-L367 VanDerWaalsContact O-N 3.08Å
365H92.8Very high95.8Very high128 Ų12840.4 Ų40.459%0.59320%0.2SC*.THydrogen-bonded Turntrans-67.4-25.4-172.9-53.796.2000113.7H339 S363 L367H339-H365 PolarHBondContact O-N 3.38Å; S363-H365 PolarHBondContact O-CE1 2.99Å; S363-H365 PolarHBondContact O-N 2.82Å; S363-H365 VanDerWaalsContact O-N 3.1Å; S363-H365 PolarHBondContact O-ND1 3.48Å; H365-L367 VanDerWaalsContact C-N 3.29Å
366S95.3Very high95.5Very high39 Ų3947.5 Ų47.527%0.27323%0.232SC..THydrogen-bonded Turntrans-81.4-2.4174.4-63.50000114D340 L342 C364 E368D340-S366 VanDerWaalsContact CA-OG 3.32Å; D340-S366 WeakPolarHBondContact CA-OG 3.23Å; D340-S366 PolarHBondContact O-OG 2.99Å; L342-S366 CarbonylContact O-C 3.45Å; L342-S366 VanDerWaalsContact O-C 3.25Å; C364-S366 VanDerWaalsContact C-N 3.26Å; C364-S366 PolarHBondContact O-N 3.4Å; S366-E368 WeakPolarHBondContact O-CG 3.49Å; S366-E368 PolarHBondContact O-N 3.12Å; S366-E368 VanDerWaalsContact O-N 3.09Å
367L96.8Very high95.4Very high8 Ų850.6 Ų50.64%0.04224%0.241CC..  trans-69.2110.4-174.6-168.268.5000111L342 I345 L361 C364 H365 L390 I393L342-L367 HydrophobicContact CG-CD1 4.29Å; L342-L367 VanDerWaalsContact O-CA 3.3Å; L342-L367 WeakPolarHBondContact O-CA 3.43Å; L342-L367 PolarHBondContact O-N 3.35Å; I345-L367 HydrophobicContact CB-CD1 4.46Å; I345-L367 HydrophobicContact CG2-CD1 4.08Å; I345-L367 HydrophobicContact CG2-CD2 4.42Å; L361-L367 HydrophobicContact CB-CD2 4.34Å; C364-L367 HydrophobicContact CB-CB 3.94Å; C364-L367 HydrophobicContact CB-CD2 4.45Å; C364-L367 WeakPolarHBondContact O-CB 3.49Å; C364-L367 PolarHBondContact O-N 3.36Å; C364-L367 VanDerWaalsContact O-N 3.08Å; H365-L367 VanDerWaalsContact C-N 3.29Å; L367-L390 HydrophobicContact CB-CD1 4.23Å; L367-L390 HydrophobicContact CD2-CD1 4.39Å; L367-I393 HydrophobicContact CB-CD1 4.39Å; L367-I393 HydrophobicContact CD2-CD1 3.59Å; L367-I393 HydrophobicContact CG-CD1 3.81Å
368E97.1Very high95.2Very high121 Ų12151.1 Ų51.157%0.56524%0.243SC*.  trans-94.9-33.2-177.9-57.8-164.7163.700112.5E343 S366 K394E343-E368 PolarHBondContact O-N 3.42Å; S366-E368 WeakPolarHBondContact O-CG 3.49Å; S366-E368 PolarHBondContact O-N 3.12Å; S366-E368 VanDerWaalsContact O-N 3.09Å; E368-K394 PolarHBondContact O-N 3.26Å
369R98.1Very high95.1Very high75 Ų7553.8 Ų53.828%0.28326%0.26SS..EExtended strand (participates in β ladder)trans-140.7135.4-174.9-175171.964.4132.34.3111.9E343 V344 I345 E346 E371 K394E343-R369 PolarHBondContact O-N 2.64Å; V344-R369 WeakPolarHBondContact CA-O 3.26Å; V344-R369 HydrophobicContact CG1-CB 4.39Å; V344-R369 HydrophobicContact CG2-CB 4.21Å; I345-R369 PolarHBondContact N-O 3.49Å; I345-R369 VanDerWaalsContact N-O 3.12Å; E346-R369 IonicContact OE1-CZ 3.72Å; E346-R369 IonicContact OE1-NH1 3.71Å; E346-R369 IonicContact OE1-NH2 3.38Å; E346-R369 PolarHBondContact OE1-NH2 2.98Å; R369-E371 HydrophobicContact CG-CG 4.3Å; R369-E371 IonicContact CZ-OE1 2.64Å; R369-E371 IonicContact NE-OE1 3.53Å; R369-E371 IonicContact NH1-OE1 3.19Å; R369-E371 PolarHBondContact NH1-OE1 3.18Å; R369-K394 WeakPolarHBondContact CA-O 3.17Å
370I98Very high95Very high0 Ų058.1 Ų58.10%027%0.273CS..EExtended strand (participates in β ladder)trans-134.1130.8170.1-176.4166000110.7I345 L358 L361 L372 L386 I393 K394 V395 H396I345-I370 HydrophobicContact CG2-CB 3.95Å; I345-I370 HydrophobicContact CG2-CD1 3.67Å; I345-I370 HydrophobicContact CG2-CG1 3.55Å; I345-I370 VanDerWaalsContact O-CA 3.27Å; I345-I370 WeakPolarHBondContact O-CA 3.49Å; L358-I370 HydrophobicContact CD2-CD1 3.94Å; L361-I370 HydrophobicContact CD1-CD1 3.63Å; I370-L372 HydrophobicContact CD1-CD1 4.15Å; I370-L372 HydrophobicContact CD1-CD2 4.01Å; I370-L372 HydrophobicContact CD1-CG 4.23Å; I370-L372 HydrophobicContact CG1-CD1 4.14Å; I370-L372 HydrophobicContact CG1-CD2 4.01Å; I370-L372 HydrophobicContact CG1-CG 3.89Å; I370-L386 HydrophobicContact CG2-CD2 4.35Å; I370-I393 HydrophobicContact CB-CD1 4.24Å; I370-I393 HydrophobicContact CG2-CD1 3.59Å; I370-I393 HydrophobicContact CG2-CG1 4.12Å; I370-K394 PolarHBondContact N-O 2.59Å; I370-V395 HydrophobicContact CG2-CB 4.06Å; I370-V395 HydrophobicContact CG2-CG1 4Å; I370-V395 HydrophobicContact CG2-CG2 3.68Å; I370-V395 WeakPolarHBondContact O-CA 3.29Å; I370-H396 PolarHBondContact O-N 3.38Å
371E97.8Very high94.9Very high24 Ų2457.8 Ų57.811%0.11228%0.28CS..EExtended strand (participates in β ladder)trans-111.1127.5178-48.5-157.1156.400109.8I345 E346 L347 D348 R369 H396I345-E371 PolarHBondContact O-N 3.41Å; E346-E371 HydrophobicContact CB-CB 4.31Å; E346-E371 HydrophobicContact CG-CB 4.24Å; E346-E371 HydrophobicContact CG-CG 4Å; L347-E371 PolarHBondContact N-O 3.27Å; D348-E371 WeakPolarHBondContact OD1-CB 3.33Å; R369-E371 HydrophobicContact CG-CG 4.3Å; R369-E371 IonicContact CZ-OE1 2.64Å; R369-E371 IonicContact NE-OE1 3.53Å; R369-E371 IonicContact NH1-OE1 3.19Å; R369-E371 PolarHBondContact NH1-OE1 3.18Å; E371-H396 HydrophobicContact CB-CB 4.42Å; E371-H396 HydrophobicContact CG-CB 4.12Å; E371-H396 IonicContact OE1-CE1 2.72Å; E371-H396 IonicContact OE1-ND1 3.85Å; E371-H396 PolarHBondContact OE1-ND1 3.47Å
372L96.9Very high94.9Very high4 Ų457.8 Ų57.82%0.02128%0.28CS..  trans-139.528.7-169.8-58.8166.6000110.9L347 D348 I353 L358 I370 D374 C375 I378 I383 V395 H396 A397L347-L372 HydrophobicContact CB-CD2 4.16Å; L347-L372 HydrophobicContact CD1-CD2 4.09Å; D348-L372 PolarHBondContact OD1-N 3.49Å; D348-L372 VanDerWaalsContact OD1-N 3.1Å; I353-L372 HydrophobicContact CD1-CD2 3.77Å; L358-L372 HydrophobicContact CD2-CD1 3.8Å; L358-L372 HydrophobicContact CD2-CD2 4.38Å; I370-L372 HydrophobicContact CD1-CD1 4.15Å; I370-L372 HydrophobicContact CD1-CD2 4.01Å; I370-L372 HydrophobicContact CD1-CG 4.23Å; I370-L372 HydrophobicContact CG1-CD1 4.14Å; I370-L372 HydrophobicContact CG1-CD2 4.01Å; I370-L372 HydrophobicContact CG1-CG 3.89Å; L372-D374 PolarHBondContact O-N 3.15Å; L372-C375 HydrophobicContact CB-CB 4.32Å; L372-C375 PolarHBondContact O-N 2.86Å; L372-I378 HydrophobicContact CD1-CG2 4.2Å; L372-I378 HydrophobicContact CD2-CG1 4.48Å; L372-I383 HydrophobicContact CD1-CD1 4.42Å; L372-I383 HydrophobicContact CD1-CG1 4.42Å; L372-V395 HydrophobicContact CD1-CG1 3.94Å; L372-H396 PolarHBondContact N-O 3.12Å; L372-A397 HydrophobicContact CB-CB 4.11Å
373Y94.4Very high95Very high94 Ų9456.5 Ų56.537%0.36928%0.275SS..THydrogen-bonded Turntrans-58.2137.5173.9-63.1-69.9000109.8D348 N349 C375 H396D348-Y373 CarbonylContact C-O 3.51Å; D348-Y373 VanDerWaalsContact CA-O 3.3Å; D348-Y373 WeakPolarHBondContact CA-O 3.3Å; D348-Y373 VanDerWaalsContact OD1-CB 3.31Å; D348-Y373 WeakPolarHBondContact OD1-CB 3.47Å; D348-Y373 WeakPolarHBondContact OD1-CD2 3.44Å; D348-Y373 PolarHBondContact OD1-N 2.99Å; N349-Y373 PolarHBondContact N-O 3.46Å; Y373-C375 PolarHBondContact O-N 3.28Å; Y373-H396 HydrophobicContact CE2-CB 3.75Å
374D91.7Very high95.2Very high87 Ų8762.5 Ų62.547%0.46530%0.298SS..THydrogen-bonded Turntrans54.720.1-179.3-64-41.9000116.6N349 L372 Q376N349-D374 WeakPolarHBondContact OD1-CB 3.43Å; L372-D374 PolarHBondContact O-N 3.15Å; D374-Q376 PolarHBondContact O-N 3.07Å; D374-Q376 VanDerWaalsContact O-N 3.11Å
375C93.1Very high95.3Very high9 Ų967 Ų676%0.06132%0.315CS..  trans-83.180.6169.2-62.70000110.6L347 I353 L372 Y373 Q377 I378L347-C375 PolarHBondContact O-SG 2.92Å; I353-C375 HydrophobicContact CD1-CB 4.08Å; I353-C375 VanDerWaalsContact CD1-SG 3.54Å; I353-C375 HydrophobicContact CG1-CB 4.11Å; L372-C375 HydrophobicContact CB-CB 4.32Å; L372-C375 PolarHBondContact O-N 2.86Å; Y373-C375 PolarHBondContact O-N 3.28Å; C375-Q377 PolarHBondContact O-N 3.14Å; C375-Q377 VanDerWaalsContact O-N 3.1Å; C375-I378 HydrophobicContact CB-CB 4.23Å; C375-I378 HydrophobicContact CB-CG1 3.67Å; C375-I378 WeakPolarHBondContact O-CB 3.46Å; C375-I378 PolarHBondContact O-N 3.12Å
376Q91.3Very high95.5Very high175 Ų17560.9 Ų60.982%0.81829%0.286SS*.THydrogen-bonded Turntrans-63.1-22.5-166.5-61.6-177.27.400115.1D374D374-Q376 PolarHBondContact O-N 3.07Å; D374-Q376 VanDerWaalsContact O-N 3.11Å
377Q94.4Very high95.5Very high101 Ų10164.9 Ų64.947%0.47230%0.295SS..THydrogen-bonded Turntrans-89.5-3.7178.8-51.7-170.346.900113.3P351 I353 T354 C375P351-Q377 PolarHBondContact O-NE2 2.94Å; I353-Q377 WeakPolarHBondContact O-CB 3.46Å; T354-Q377 HydrophobicContact CG2-CB 3.93Å; C375-Q377 PolarHBondContact O-N 3.14Å; C375-Q377 VanDerWaalsContact O-N 3.1Å
378I95.5Very high95.5Very high10 Ų1069.4 Ų69.45%0.05132%0.324CS..  trans-81.1128.5172.4-63.6-73.3000109.4I353 T354 L358 L372 C375 I383 F399I353-I378 HydrophobicContact CD1-CD1 4.47Å; I353-I378 HydrophobicContact CD1-CG1 4.37Å; I353-I378 HydrophobicContact CG1-CD1 4.23Å; I353-I378 HydrophobicContact CG1-CG1 4.12Å; T354-I378 WeakPolarHBondContact O-CD1 3.46Å; L358-I378 HydrophobicContact CD1-CD1 3.97Å; L358-I378 HydrophobicContact CD1-CG2 3.88Å; L358-I378 HydrophobicContact CD2-CD1 4.11Å; L358-I378 HydrophobicContact CG-CD1 3.81Å; L372-I378 HydrophobicContact CD1-CG2 4.2Å; L372-I378 HydrophobicContact CD2-CG1 4.48Å; C375-I378 HydrophobicContact CB-CB 4.23Å; C375-I378 HydrophobicContact CB-CG1 3.67Å; C375-I378 WeakPolarHBondContact O-CB 3.46Å; C375-I378 PolarHBondContact O-N 3.12Å; I378-I383 HydrophobicContact CG2-CD1 3.99Å; I378-I383 HydrophobicContact CG2-CG1 3.89Å; I378-F399 WeakPolarHBondContact O-CE1 3.43Å
379T95.4Very high95.3Very high58 Ų5868.7 Ų68.736%0.35632%0.32SS..  trans-102.2156.8-17983.20000112.2D355 A381 G382 I383D355-T379 PolarHBondContact OD1-N 3.28Å; D355-T379 PolarHBondContact OD1-OG1 2.84Å; D355-T379 PolarHBondContact OD2-OG1 2.65Å; T379-A381 PolarHBondContact O-N 2.94Å; T379-A381 PolarHBondContact OG1-N 3.02Å; T379-G382 PolarHBondContact O-N 3.18Å; T379-G382 PolarHBondContact OG1-N 3.43Å; T379-I383 PolarHBondContact O-N 3.04Å; T379-I383 VanDerWaalsContact O-N 3.16Å
380R94.1Very high95.2Very high159 Ų15965.8 Ų65.860%0.631%0.31SS*.Hα-helixtrans-57.8-30.1169.1-65.8-176.5179.4-167.3-0.1112.2K384 F399R380-K384 WeakPolarHBondContact O-CB 3.09Å; R380-K384 PolarHBondContact O-N 3.38Å; R380-K384 VanDerWaalsContact O-N 3.07Å; R380-F399 HydrophobicContact CG-CD1 3.7Å; R380-F399 HydrophobicContact CG-CD2 4Å; R380-F399 HydrophobicContact CG-CE1 3.72Å; R380-F399 HydrophobicContact CG-CE2 4.02Å; R380-F399 HydrophobicContact CG-CG 3.84Å; R380-F399 HydrophobicContact CG-CZ 3.88Å
381A95Very high94.9Very high52 Ų5270.7 Ų70.743%0.4334%0.342SS..Hα-helixtrans-71-42.8178.500000111.3T379 K384 R385T379-A381 PolarHBondContact O-N 2.94Å; T379-A381 PolarHBondContact OG1-N 3.02Å; A381-K384 PolarHBondContact O-N 3.03Å; A381-R385 WeakPolarHBondContact O-CG 3.28Å; A381-R385 PolarHBondContact O-N 3.29Å
382G95.8Very high94.7Very high0 Ų076.6 Ų76.60%037%0.374CS..Hα-helixtrans-57.8-49.9173.400000112.5D355 T379 K384 R385 L386D355-G382 VanDerWaalsContact OD2-CA 3.29Å; D355-G382 WeakPolarHBondContact OD2-CA 3.48Å; D355-G382 PolarHBondContact OD2-N 3.14Å; T379-G382 PolarHBondContact O-N 3.18Å; T379-G382 PolarHBondContact OG1-N 3.43Å; G382-K384 VanDerWaalsContact C-N 3.29Å; G382-K384 PolarHBondContact O-N 2.85Å; G382-R385 WeakPolarHBondContact O-CB 3.38Å; G382-R385 PolarHBondContact O-N 2.65Å; G382-R385 VanDerWaalsContact O-N 3.09Å; G382-L386 PolarHBondContact O-N 3.26Å
383I95.9Very high94.6Very high13 Ų1376.9 Ų76.97%0.06738%0.376CS..Hα-helixtrans-59.3-41.2176.3-66.7178000111.6L358 L372 I378 T379 R385 L386 R387 V395 A397 F399L358-I383 HydrophobicContact CD1-CG1 3.91Å; L372-I383 HydrophobicContact CD1-CD1 4.42Å; L372-I383 HydrophobicContact CD1-CG1 4.42Å; I378-I383 HydrophobicContact CG2-CD1 3.99Å; I378-I383 HydrophobicContact CG2-CG1 3.89Å; T379-I383 PolarHBondContact O-N 3.04Å; T379-I383 VanDerWaalsContact O-N 3.16Å; I383-R385 VanDerWaalsContact C-N 3.34Å; I383-R385 PolarHBondContact O-N 3.39Å; I383-L386 PolarHBondContact O-N 3.28Å; I383-R387 HydrophobicContact CG2-CG 4.47Å; I383-R387 WeakPolarHBondContact O-CG 3.49Å; I383-R387 PolarHBondContact O-N 2.99Å; I383-V395 HydrophobicContact CD1-CG1 3.82Å; I383-V395 HydrophobicContact CG1-CG1 4.11Å; I383-V395 HydrophobicContact CG2-CB 4.13Å; I383-V395 HydrophobicContact CG2-CG1 3.86Å; I383-V395 HydrophobicContact CG2-CG2 4.12Å; I383-A397 HydrophobicContact CD1-CB 3.99Å; I383-F399 HydrophobicContact CD1-CE2 3.43Å; I383-F399 VanDerWaalsContact CD1-CE2 3.43Å; I383-F399 HydrophobicContact CD1-CZ 3.35Å; I383-F399 HydrophobicContact CG1-CZ 4.44Å
384K95.4Very high94.8Very high155 Ų15578.7 Ų78.767%0.67439%0.386SS*.Hα-helixtrans-62.5-41.1176.8-170.9-177.8178.4-176.20111.5R380 A381 G382 T388R380-K384 WeakPolarHBondContact O-CB 3.09Å; R380-K384 PolarHBondContact O-N 3.38Å; R380-K384 VanDerWaalsContact O-N 3.07Å; A381-K384 PolarHBondContact O-N 3.03Å; G382-K384 VanDerWaalsContact C-N 3.29Å; G382-K384 PolarHBondContact O-N 2.85Å; K384-T388 PolarHBondContact O-N 2.85Å; K384-T388 VanDerWaalsContact O-N 3.1Å; K384-T388 PolarHBondContact O-OG1 3.33Å
385R96.7Very high95Very high94 Ų9475.2 Ų75.236%0.35537%0.368SS..Hα-helixtrans-64-43.1175.8-70.9-170.2-57.8-86.5-0.6111.6D355 E359 A381 G382 I383 T388 H389D355-R385 IonicContact OD2-CZ 3.13Å; D355-R385 IonicContact OD2-NH1 3.23Å; D355-R385 IonicContact OD2-NH2 2.76Å; D355-R385 PolarHBondContact OD2-NH2 3.3Å; E359-R385 IonicContact OE1-CZ 2.65Å; E359-R385 IonicContact OE1-NE 2.86Å; E359-R385 PolarHBondContact OE1-NE 3.12Å; E359-R385 IonicContact OE1-NH2 3.22Å; A381-R385 WeakPolarHBondContact O-CG 3.28Å; A381-R385 PolarHBondContact O-N 3.29Å; G382-R385 WeakPolarHBondContact O-CB 3.38Å; G382-R385 PolarHBondContact O-N 2.65Å; G382-R385 VanDerWaalsContact O-N 3.09Å; I383-R385 VanDerWaalsContact C-N 3.34Å; I383-R385 PolarHBondContact O-N 3.39Å; R385-T388 WeakPolarHBondContact O-CB 3.49Å; R385-T388 PolarHBondContact O-N 3.21Å; R385-H389 PolarHBondContact O-ND1 3.06Å
386L96.3Very high95.1Very high0 Ų077.8 Ų77.80%038%0.378CS..Hα-helixtrans-59.2-51.4175.4-178.262.8000111.4L358 K362 I370 G382 I383 T388 H389 L390 I393L358-L386 HydrophobicContact CB-CB 4.46Å; L358-L386 HydrophobicContact CB-CD2 4.43Å; L358-L386 HydrophobicContact CD2-CD2 4.1Å; K362-L386 HydrophobicContact CG-CD1 4.22Å; I370-L386 HydrophobicContact CG2-CD2 4.35Å; G382-L386 PolarHBondContact O-N 3.26Å; I383-L386 PolarHBondContact O-N 3.28Å; L386-T388 PolarHBondContact O-N 3.16Å; L386-T388 VanDerWaalsContact O-N 3.14Å; L386-H389 PolarHBondContact O-N 3.1Å; L386-L390 HydrophobicContact CD1-CD1 3.84Å; L386-L390 HydrophobicContact CD1-CG 4.45Å; L386-L390 PolarHBondContact O-N 3.15Å; L386-I393 HydrophobicContact CD2-CD1 4.01Å; L386-I393 HydrophobicContact CG-CD1 4.43Å
387R96.4Very high95Very high123 Ų12370.9 Ų70.946%0.46435%0.351SS..Hα-helixtrans-61.5-23178-73.1-177.5178.6-173.70.9114.1I383 H389 L390 P391 I393 V395I383-R387 HydrophobicContact CG2-CG 4.47Å; I383-R387 WeakPolarHBondContact O-CG 3.49Å; I383-R387 PolarHBondContact O-N 2.99Å; R387-H389 VanDerWaalsContact C-N 3.29Å; R387-L390 CarbonylContact O-C 3.52Å; R387-P391 VanDerWaalsContact O-CA 3.31Å; R387-P391 WeakPolarHBondContact O-CA 2.79Å; R387-I393 HydrophobicContact CG-CG2 3.96Å; R387-V395 HydrophobicContact CG-CG2 4.2Å; R387-V395 PolarHBondContact NH2-O 3.42Å
388T95.6Very high94.6Very high104 Ų10473.2 Ų73.264%0.63836%0.357SS*.Hα-helixtrans-69.8-31.2174.1-54.30000111.3K384 R385 L386K384-T388 PolarHBondContact O-N 2.85Å; K384-T388 VanDerWaalsContact O-N 3.1Å; K384-T388 PolarHBondContact O-OG1 3.33Å; R385-T388 WeakPolarHBondContact O-CB 3.49Å; R385-T388 PolarHBondContact O-N 3.21Å; L386-T388 PolarHBondContact O-N 3.16Å; L386-T388 VanDerWaalsContact O-N 3.14Å
389H94.3Very high93.4Very high106 Ų10676 Ų7649%0.49137%0.369SS..Hα-helixtrans-91-35.4178.5-63.369.6000111.6K362 R385 L386 R387 P391K362-H389 WeakPolarHBondContact CE-ND1 3.42Å; K362-H389 HydrophobicContact CG-CB 4.21Å; K362-H389 PolarHBondContact NZ-CE1 3.32Å; K362-H389 VanDerWaalsContact NZ-CE1 3.3Å; R385-H389 PolarHBondContact O-ND1 3.06Å; L386-H389 PolarHBondContact O-N 3.1Å; R387-H389 VanDerWaalsContact C-N 3.29Å; H389-P391 WeakPolarHBondContact O-CD 3.38Å
390L94.8Very high91.7Very high13 Ų1376.2 Ų76.27%0.06838%0.376CS..  trans-118.583.3179-58.6177.5000109.3L367 L386 R387 N392 I393L367-L390 HydrophobicContact CB-CD1 4.23Å; L367-L390 HydrophobicContact CD2-CD1 4.39Å; L386-L390 HydrophobicContact CD1-CD1 3.84Å; L386-L390 HydrophobicContact CD1-CG 4.45Å; L386-L390 PolarHBondContact O-N 3.15Å; R387-L390 CarbonylContact O-C 3.52Å; L390-N392 VanDerWaalsContact C-N 3.27Å; L390-N392 PolarHBondContact O-N 2.6Å; L390-I393 HydrophobicContact CB-CB 3.98Å; L390-I393 HydrophobicContact CB-CG2 3.93Å; L390-I393 HydrophobicContact CD1-CD1 4.03Å; L390-I393 WeakPolarHBondContact O-CG2 3.5Å; L390-I393 PolarHBondContact O-N 2.85Å
391P92.3Very high89.9Confident103 Ų10373.2 Ų73.267%0.66938%0.378SS*.THydrogen-bonded Turntrans-67.5-25.3-170.425-34.3000114.2R387 H389R387-P391 VanDerWaalsContact O-CA 3.31Å; R387-P391 WeakPolarHBondContact O-CA 2.79Å; H389-P391 WeakPolarHBondContact O-CD 3.38Å
392N92.9Very high87.9Confident148 Ų14877.1 Ų77.179%0.79140%0.395SS*.THydrogen-bonded Turntrans-93.8-2.1-177.6-64.1-31.7000113.6L390 K394L390-N392 VanDerWaalsContact C-N 3.27Å; L390-N392 PolarHBondContact O-N 2.6Å; N392-K394 PolarHBondContact O-N 2.98Å
393I96.2Very high85.8Confident11 Ų1183 Ų836%0.05643%0.432CS..  trans-67.9130.2-175.9-165.1176000111.5L367 I370 L386 R387 L390 V395L367-I393 HydrophobicContact CB-CD1 4.39Å; L367-I393 HydrophobicContact CD2-CD1 3.59Å; L367-I393 HydrophobicContact CG-CD1 3.81Å; I370-I393 HydrophobicContact CB-CD1 4.24Å; I370-I393 HydrophobicContact CG2-CD1 3.59Å; I370-I393 HydrophobicContact CG2-CG1 4.12Å; L386-I393 HydrophobicContact CD2-CD1 4.01Å; L386-I393 HydrophobicContact CG-CD1 4.43Å; R387-I393 HydrophobicContact CG-CG2 3.96Å; L390-I393 HydrophobicContact CB-CB 3.98Å; L390-I393 HydrophobicContact CB-CG2 3.93Å; L390-I393 HydrophobicContact CD1-CD1 4.03Å; L390-I393 WeakPolarHBondContact O-CG2 3.5Å; L390-I393 PolarHBondContact O-N 2.85Å; I393-V395 HydrophobicContact CG1-CG2 4.46Å; I393-V395 HydrophobicContact CG2-CG2 3.87Å; I393-V395 PolarHBondContact O-N 3.3Å
394K97.3Very high83.5Confident132 Ų13287.2 Ų87.257%0.57446%0.46SS*.EExtended strand (participates in β ladder)trans-85.2107.9170.6-64.3174.7-172.8165.10108.5E368 R369 I370 N392E368-K394 PolarHBondContact O-N 3.26Å; R369-K394 WeakPolarHBondContact CA-O 3.17Å; I370-K394 PolarHBondContact N-O 2.59Å; N392-K394 PolarHBondContact O-N 2.98Å
395V96.1Very high81.4Confident14 Ų1485 Ų859%0.08546%0.461CS..EExtended strand (participates in β ladder)trans-100.5117174.5-173.80000108.9I370 L372 I383 R387 I393I370-V395 HydrophobicContact CG2-CB 4.06Å; I370-V395 HydrophobicContact CG2-CG1 4Å; I370-V395 HydrophobicContact CG2-CG2 3.68Å; I370-V395 WeakPolarHBondContact O-CA 3.29Å; L372-V395 HydrophobicContact CD1-CG1 3.94Å; I383-V395 HydrophobicContact CD1-CG1 3.82Å; I383-V395 HydrophobicContact CG1-CG1 4.11Å; I383-V395 HydrophobicContact CG2-CB 4.13Å; I383-V395 HydrophobicContact CG2-CG1 3.86Å; I383-V395 HydrophobicContact CG2-CG2 4.12Å; R387-V395 HydrophobicContact CG-CG2 4.2Å; R387-V395 PolarHBondContact NH2-O 3.42Å; I393-V395 HydrophobicContact CG1-CG2 4.46Å; I393-V395 HydrophobicContact CG2-CG2 3.87Å; I393-V395 PolarHBondContact O-N 3.3Å
396H94.4Very high79.2Confident62 Ų6285.5 Ų85.529%0.28748%0.477SS..EExtended strand (participates in β ladder)trans-102.8112.7174.9-64.5160.3000108.8I370 E371 L372 Y373I370-H396 PolarHBondContact O-N 3.38Å; E371-H396 HydrophobicContact CB-CB 4.42Å; E371-H396 HydrophobicContact CG-CB 4.12Å; E371-H396 IonicContact OE1-CE1 2.72Å; E371-H396 IonicContact OE1-ND1 3.85Å; E371-H396 PolarHBondContact OE1-ND1 3.47Å; L372-H396 PolarHBondContact N-O 3.12Å; Y373-H396 HydrophobicContact CE2-CB 3.75Å
397A90.8Very high77.2Confident30 Ų3089.3 Ų89.325%0.24850%0.504CS..  trans-152.1144.6-179.700000109.6L372 I383 F399L372-A397 HydrophobicContact CB-CB 4.11Å; I383-A397 HydrophobicContact CD1-CB 3.99Å; A397-F399 HydrophobicContact CB-CD2 4.45Å; A397-F399 HydrophobicContact CB-CE2 3.84Å; A397-F399 HydrophobicContact CB-CZ 4.4Å
398Y84.6Confident75Confident151 Ų15191 Ų9159%0.59253%0.527SS*.  trans-96.5119.2171.4-173.5-103.6000110.1A400Y398-A400 HydrophobicContact CD1-CB 4.35Å; Y398-A400 VanDerWaalsContact CE1-CA 3.47Å; Y398-A400 HydrophobicContact CE1-CB 3.67Å
399F71.8Confident72.9Confident68 Ų6889.1 Ų89.130%0.29853%0.529SS..  trans-108100166.1-67.9-78.8000108I378 R380 I383 A397I378-F399 WeakPolarHBondContact O-CE1 3.43Å; R380-F399 HydrophobicContact CG-CD1 3.7Å; R380-F399 HydrophobicContact CG-CD2 4Å; R380-F399 HydrophobicContact CG-CE1 3.72Å; R380-F399 HydrophobicContact CG-CE2 4.02Å; R380-F399 HydrophobicContact CG-CG 3.84Å; R380-F399 HydrophobicContact CG-CZ 3.88Å; I383-F399 HydrophobicContact CD1-CE2 3.43Å; I383-F399 VanDerWaalsContact CD1-CE2 3.43Å; I383-F399 HydrophobicContact CD1-CZ 3.35Å; I383-F399 HydrophobicContact CG1-CZ 4.44Å; A397-F399 HydrophobicContact CB-CD2 4.45Å; A397-F399 HydrophobicContact CB-CE2 3.84Å; A397-F399 HydrophobicContact CB-CZ 4.4Å
400A59.3Low70.6Confident62 Ų6287.7 Ų87.751%0.51254%0.542SS..PPolyproline II helixtrans-48.213117000000108.8Y398 V402Y398-A400 HydrophobicContact CD1-CB 4.35Å; Y398-A400 VanDerWaalsContact CE1-CA 3.47Å; Y398-A400 HydrophobicContact CE1-CB 3.67Å; A400-V402 PolarHBondContact O-N 2.78Å
401P56.3Low68.4Low97 Ų9793.2 Ų93.263%0.6358%0.582SS**PPolyproline II helixtrans-57.7138171.223.7-31000108.3T403P401-T403 PolarHBondContact O-N 2.84Å
402V52.3Low66.2Low133 Ų13399 Ų9981%0.80659%0.591SS**PPolyproline II helixtrans-50.2117.5-179.6-170.20000108.3A400 P404A400-V402 PolarHBondContact O-N 2.78Å; V402-P404 VanDerWaalsContact O-CD 3.25Å; V402-P404 WeakPolarHBondContact O-CD 3.46Å
403T52.8Low64.1Low125 Ų125101 Ų10177%0.76760%0.595SS**  trans-58.4115.9172.6-31.20000106.2P401P401-T403 PolarHBondContact O-N 2.84Å
404P48Very low61.6Low101 Ų101109.1 Ų109.166%0.65663%0.625SS**  trans-57137.5-176.817.4-27.2000108.8V402V402-P404 VanDerWaalsContact O-CD 3.25Å; V402-P404 WeakPolarHBondContact O-CD 3.46Å
405P51Low59Low107 Ų107112.1 Ų112.170%0.69564%0.639SS**  trans-53.7146.7-177.420.2-30.8000109.7S407P405-S407 PolarHBondContact O-N 3.41Å
406P49.4Very low56.2Low106 Ų106115.6 Ų115.669%0.68866%0.662SS**  trans-55.3114176.422.3-30.6000108.1V408P406-V408 PolarHBondContact O-N 3.26Å
407S53.8Low53.8Low80 Ų80124.3 Ų124.356%0.55969%0.693SS**  trans-56.3115.6172.128.30000107.9P405 G409 R414P405-S407 PolarHBondContact O-N 3.41Å; S407-G409 VanDerWaalsContact C-N 3.28Å; S407-G409 PolarHBondContact O-N 3.29Å; S407-R414 PolarHBondContact OG-NH2 2.58Å
408V51.4Low51.4Low158 Ų158127.6 Ų127.696%0.95871%0.713SS**SBendtrans-69.190.8175.9-167.20000106.9P406P406-V408 PolarHBondContact O-N 3.26Å
409G51.9Low49Very low65 Ų65125.8 Ų125.867%0.6772%0.721SS**SBendtrans144.7112.9175.200000113.9S407S407-G409 VanDerWaalsContact C-N 3.28Å; S407-G409 PolarHBondContact O-N 3.29Å
410G44.3Very low47.3Very low75 Ų75129.4 Ų129.477%0.77374%0.742SS**  trans113.3102.2160.700000114.7R412G410-R412 PolarHBondContact O-N 3.33Å
411S48.6Very low45.8Very low130 Ų130134.4 Ų134.491%0.90976%0.758SS**  trans-5994164.936.90000111.2
412R47.5Very low44.7Very low224 Ų224141 Ų14185%0.84579%0.787SS**  trans-133.3129.6158.3-77.1-171.6175.8179.8-1.1109.4G410 R414G410-R412 PolarHBondContact O-N 3.33Å; R412-R414 PolarHBondContact O-N 2.75Å; R412-R414 VanDerWaalsContact O-N 3.14Å
413Q48.2Very low44.4Very low190 Ų190141.4 Ų141.489%0.88879%0.786SS**PPolyproline II helixtrans-52.2116.9171.8-81.1174.3-27.400109.1
414R44.7Very low43.9Very low182 Ų182142.2 Ų142.269%0.68779%0.787SS**PPolyproline II helixtrans-90119.1175.9-67.7-175.2-179.7-168.7-0.7108.4S407 R412S407-R414 PolarHBondContact OG-NH2 2.58Å; R412-R414 PolarHBondContact O-N 2.75Å; R412-R414 VanDerWaalsContact O-N 3.14Å
415F42.1Very low43.7Very low195 Ų195144.5 Ų144.586%0.85579%0.794SS**PPolyproline II helixtrans-70.3129.7160-71.3-84.9000108.7R417F415-R417 PolarHBondContact O-N 2.9Å
416C37.3Very low43.2Very low87 Ų87146.7 Ų146.759%0.58880%0.8SS**PPolyproline II helixtrans-56.6120.8169.1-150.40000107.4C418C416-C418 HydrophobicContact CB-CB 4.02Å; C416-C418 WeakPolarHBondContact CB-SG 3.4Å; C416-C418 PolarHBondContact O-N 2.88Å; C416-C418 WeakPolarHBondContact SG-CB 2.9Å; C416-C418 CovalentContact SG-SG 2.06Å; C416-C418 PolarHBondContact SG-SG 3.42Å
417R43.1Very low42.9Very low245 Ų245149.3 Ų149.393%0.92581%0.807SS**G310 helixtrans-71.811.9169.7-80.9-173.4174.9-172.2-1.9113.1F415 C419F415-R417 PolarHBondContact O-N 2.9Å; R417-C419 VanDerWaalsContact C-N 3.26Å; R417-C419 PolarHBondContact O-N 2.82Å
418C41.2Very low42.1Very low99 Ų99153.9 Ų153.967%0.66982%0.823SS**G310 helixtrans-79-9.8179.1-29.80000112.1C416C416-C418 HydrophobicContact CB-CB 4.02Å; C416-C418 WeakPolarHBondContact CB-SG 3.4Å; C416-C418 PolarHBondContact O-N 2.88Å; C416-C418 WeakPolarHBondContact SG-CB 2.9Å; C416-C418 CovalentContact SG-SG 2.06Å; C416-C418 PolarHBondContact SG-SG 3.42Å
419C33.8Very low41.5Very low112 Ų112153.6 Ų153.676%0.75781%0.814SS**G310 helixtrans-112.626.1-175.3-61.80000114.4R417R417-C419 VanDerWaalsContact C-N 3.26Å; R417-C419 PolarHBondContact O-N 2.82Å
420I35.5Very low40.7Very low144 Ų144160.4 Ų160.474%0.73883%0.825SS**  trans-132.890.2167.1-55.7177.2000108.8
421I29.6Very low40.4Very low168 Ų168167.5 Ų167.586%0.86283%0.829SS**  trans-136108.6145.2-61.8-173.9000106.5
422L32.9Very low39.6Very low234 Ų234170.9 Ų170.9100%1.22582%0.822SS**  trans-69.30148.1-92.3160.5000108.7

Retrieved 422 of 422 residues in 744.7 ms (Link to these results)

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