G4VTB6_SCHMA Loading...

AA_TRNA_LIGASE_II domain-containing protein

AlphaFold DB , UniProt , Accession G4VTB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 328 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
1M50.7Low87.2Confident240 Ų24097.2 Ų97.2100%1.18250%0.498SS*.  0131.80-74.9171.5179.200107.6K3M1-K3 PolarHBondContact O-N 2.9Å
2S66.3Low88.1Confident120 Ų12097.3 Ų97.384%0.83949%0.492SS*.PPolyproline II helixtrans-62.3133172.856.90000108.6
3K80.2Confident88.9Confident146 Ų14690.1 Ų90.164%0.63546%0.456SS*.PPolyproline II helixtrans-58.3150.1170.9-70.2-169.4176-160.70109.1M1 Q5 Q322M1-K3 PolarHBondContact O-N 2.9Å; K3-Q5 PolarHBondContact O-N 2.8Å; K3-Q322 WeakPolarHBondContact CE-O 3.21Å; K3-Q322 PolarHBondContact NZ-O 2.82Å
4Y91.4Very high89.5Confident16 Ų1690.2 Ų90.26%0.06345%0.454CS..PPolyproline II helixtrans-55.1139.7175.8161.3-106.3000110S6 H236 K302 E306 N324 I325Y4-S6 WeakPolarHBondContact OH-CB 3.46Å; Y4-S6 PolarHBondContact OH-OG 2.74Å; Y4-H236 AromaticContact CD2-NE2 3.63Å; Y4-H236 AromaticContact CE2-NE2 3.5Å; Y4-K302 HydrophobicContact CD1-CD 4.28Å; Y4-K302 HydrophobicContact CD2-CD 3.65Å; Y4-K302 HydrophobicContact CD2-CG 3.77Å; Y4-K302 HydrophobicContact CE2-CD 4.19Å; Y4-K302 HydrophobicContact CE2-CG 3.77Å; Y4-K302 HydrophobicContact CG-CD 3.69Å; Y4-K302 HydrophobicContact CG-CG 4.16Å; Y4-E306 WeakPolarHBondContact CE1-OE2 3.32Å; Y4-E306 PolarHBondContact OH-OE1 3.24Å; Y4-E306 PolarHBondContact OH-OE2 3.36Å; Y4-N324 WeakPolarHBondContact CD1-O 3.48Å; Y4-N324 WeakPolarHBondContact O-CB 3.28Å; Y4-N324 PolarHBondContact O-ND2 2.97Å; Y4-I325 HydrophobicContact CD1-CG1 3.57Å; Y4-I325 HydrophobicContact CE1-CB 4.5Å; Y4-I325 HydrophobicContact CE1-CG1 3.84Å
5Q92.6Very high90.1Very high157 Ų15791 Ų9173%0.73446%0.456SS*.  trans-129.9119.2172.4-176.4174.54.500107.1K3 K7K3-Q5 PolarHBondContact O-N 2.8Å; Q5-K7 PolarHBondContact O-N 3.06Å
6S95.1Very high90.6Very high33 Ų3385.3 Ų85.323%0.23143%0.427CS..  trans-63.2133.5177.7-154.10000110.4Y4 L8 K301Y4-S6 WeakPolarHBondContact OH-CB 3.46Å; Y4-S6 PolarHBondContact OH-OG 2.74Å; S6-L8 WeakPolarHBondContact CB-O 3.29Å; S6-L8 PolarHBondContact O-N 3.49Å; S6-L8 PolarHBondContact OG-O 2.85Å; S6-K301 PolarHBondContact OG-NZ 3.36Å
7K95.8Very high91.1Very high64 Ų6481.1 Ų81.128%0.27841%0.406SS..SBendtrans-66.2-25.8178.6-74.5-176.2163.7-165.90113.1Q5 V159 L160 N161 E300Q5-K7 PolarHBondContact O-N 3.06Å; K7-V159 HydrophobicContact CB-CG1 4.26Å; K7-V159 HydrophobicContact CB-CG2 4.02Å; K7-V159 HydrophobicContact CD-CG2 4.31Å; K7-V159 WeakPolarHBondContact CD-O 3.25Å; K7-V159 WeakPolarHBondContact CE-O 3.23Å; K7-V159 HydrophobicContact CG-CG2 4.19Å; K7-V159 PolarHBondContact NZ-O 3.05Å; K7-L160 HydrophobicContact CB-CD2 4.3Å; K7-L160 HydrophobicContact CD-CD2 4.09Å; K7-N161 PolarHBondContact NZ-ND2 2.96Å; K7-E300 HydrophobicContact CD-CB 4.42Å; K7-E300 VanDerWaalsContact CD-OE2 3.26Å; K7-E300 WeakPolarHBondContact CD-OE2 3.48Å; K7-E300 WeakPolarHBondContact CE-OE2 3.27Å; K7-E300 VanDerWaalsContact NZ-CD 3.29Å; K7-E300 IonicContact NZ-OE1 3.27Å; K7-E300 PolarHBondContact NZ-OE1 3.23Å; K7-E300 IonicContact NZ-OE2 2.7Å; K7-E300 PolarHBondContact NZ-OE2 3.13Å
8L97.2Very high91.5Very high4 Ų484.5 Ų84.52%0.02142%0.418CS..SBendtrans-120.6128.8177-57.6179.1000108.3S6 K12 T13 A16 Y157 V159 L160 M299 K301S6-L8 WeakPolarHBondContact CB-O 3.29Å; S6-L8 PolarHBondContact O-N 3.49Å; S6-L8 PolarHBondContact OG-O 2.85Å; L8-K12 HydrophobicContact CB-CB 4.12Å; L8-K12 HydrophobicContact CD2-CB 4.26Å; L8-T13 PolarHBondContact O-OG1 3.24Å; L8-A16 HydrophobicContact CD1-CB 3.87Å; L8-Y157 HydrophobicContact CD1-CD1 4.42Å; L8-Y157 HydrophobicContact CD2-CD1 3.89Å; L8-V159 HydrophobicContact CD2-CG1 3.66Å; L8-L160 HydrophobicContact CD1-CD1 4.36Å; L8-L160 HydrophobicContact CD1-CD2 4.5Å; L8-M299 HydrophobicContact CD1-CB 4.49Å; L8-M299 HydrophobicContact CD1-CG 4.23Å; L8-M299 HydrophobicContact CD1-SD 4.18Å; L8-K301 PolarHBondContact O-NZ 3.35Å; L8-K301 VanDerWaalsContact O-NZ 3.12Å
9D96.4Very high91.9Very high84 Ų8484.1 Ų84.145%0.44941%0.413SS..  trans-64.6174.8168.357.644.5000111.4E11 K12 T13D9-E11 VanDerWaalsContact C-N 3.34Å; D9-E11 PolarHBondContact O-N 3.12Å; D9-E11 PolarHBondContact OD1-N 3.01Å; D9-K12 PolarHBondContact O-N 3.29Å; D9-K12 WeakPolarHBondContact OD1-CB 3.09Å; D9-K12 WeakPolarHBondContact OD1-CG 3.29Å; D9-K12 PolarHBondContact OD1-N 3.27Å; D9-T13 VanDerWaalsContact O-CB 3.25Å; D9-T13 WeakPolarHBondContact O-CB 3.39Å; D9-T13 PolarHBondContact O-N 3.26Å; D9-T13 PolarHBondContact O-OG1 3.39Å
10V96.4Very high92.2Very high63 Ų6379.9 Ų79.938%0.38239%0.393SS..Hα-helixtrans-60.5-43.2-173.9178.70000111.8T13 Q14 F326 L328V10-T13 WeakPolarHBondContact O-CB 3.33Å; V10-T13 PolarHBondContact O-N 2.96Å; V10-Q14 WeakPolarHBondContact O-CG 3.39Å; V10-Q14 PolarHBondContact O-N 3.29Å; V10-F326 HydrophobicContact CG1-CE1 4.05Å; V10-F326 HydrophobicContact CG2-CD1 3.59Å; V10-F326 HydrophobicContact CG2-CD2 4.33Å; V10-F326 HydrophobicContact CG2-CE1 3.68Å; V10-F326 HydrophobicContact CG2-CE2 4.41Å; V10-F326 HydrophobicContact CG2-CG 3.93Å; V10-F326 HydrophobicContact CG2-CZ 4.1Å; V10-L328 HydrophobicContact CG1-CD2 4.19Å
11E97.5Very high92.5Very high142 Ų14278.3 Ų78.366%0.66438%0.383SS*.Hα-helixtrans-63-53.1179.9-177.2176.3-172.600111D9 T13 Q14 E15D9-E11 VanDerWaalsContact C-N 3.34Å; D9-E11 PolarHBondContact O-N 3.12Å; D9-E11 PolarHBondContact OD1-N 3.01Å; E11-T13 PolarHBondContact O-N 2.86Å; E11-Q14 PolarHBondContact O-N 3.36Å; E11-Q14 VanDerWaalsContact O-N 3.12Å; E11-E15 PolarHBondContact O-N 3.25Å
12K97.9Very high94.8Very high99 Ų9970 Ų7043%0.4334%0.343SS..Hα-helixtrans-63-30.8177.6-70.1178.9-176.1174.40112.6L8 D9 A16L8-K12 HydrophobicContact CB-CB 4.12Å; L8-K12 HydrophobicContact CD2-CB 4.26Å; D9-K12 PolarHBondContact O-N 3.29Å; D9-K12 WeakPolarHBondContact OD1-CB 3.09Å; D9-K12 WeakPolarHBondContact OD1-CG 3.29Å; D9-K12 PolarHBondContact OD1-N 3.27Å; K12-A16 WeakPolarHBondContact O-CB 3.49Å; K12-A16 PolarHBondContact O-N 2.87Å
13T98.2Very high96.3Very high3 Ų365 Ų652%0.01831%0.308CS..Hα-helixtrans-65.4-45.8175.1-58.90000110.7L8 D9 V10 E11 E15 A16 I17 M299 K301 E306 V307L8-T13 PolarHBondContact O-OG1 3.24Å; D9-T13 VanDerWaalsContact O-CB 3.25Å; D9-T13 WeakPolarHBondContact O-CB 3.39Å; D9-T13 PolarHBondContact O-N 3.26Å; D9-T13 PolarHBondContact O-OG1 3.39Å; V10-T13 WeakPolarHBondContact O-CB 3.33Å; V10-T13 PolarHBondContact O-N 2.96Å; E11-T13 PolarHBondContact O-N 2.86Å; T13-E15 PolarHBondContact O-N 3.11Å; T13-A16 PolarHBondContact O-N 2.63Å; T13-I17 HydrophobicContact CG2-CD1 3.99Å; T13-I17 HydrophobicContact CG2-CG1 4.45Å; T13-I17 WeakPolarHBondContact O-CD1 3.49Å; T13-I17 WeakPolarHBondContact O-CG1 3.29Å; T13-I17 PolarHBondContact O-N 2.77Å; T13-M299 HydrophobicContact CG2-SD 4.38Å; T13-K301 PolarHBondContact OG1-NZ 3.01Å; T13-E306 WeakPolarHBondContact CG2-O 3.48Å; T13-V307 HydrophobicContact CG2-CG1 4.35Å
14Q98.1Very high97.2Very high92 Ų9258 Ų5843%0.4328%0.277SS..Hα-helixtrans-61.8-42.8176.5-69-68.7-11.100112.1V10 E11 K18V10-Q14 WeakPolarHBondContact O-CG 3.39Å; V10-Q14 PolarHBondContact O-N 3.29Å; E11-Q14 PolarHBondContact O-N 3.36Å; E11-Q14 VanDerWaalsContact O-N 3.12Å; Q14-K18 PolarHBondContact O-N 3.45Å
15E98.2Very high97.5Very high102 Ų10259.1 Ų59.148%0.47728%0.283SS..Hα-helixtrans-61.9-47174.4-66.9-177.4160.800112.1E11 T13 I17 K18 F19 Y157E11-E15 PolarHBondContact O-N 3.25Å; T13-E15 PolarHBondContact O-N 3.11Å; E15-I17 PolarHBondContact O-N 3.31Å; E15-K18 PolarHBondContact O-N 2.9Å; E15-F19 WeakPolarHBondContact O-CB 3.38Å; E15-F19 PolarHBondContact O-N 3.17Å; E15-Y157 WeakPolarHBondContact CB-OH 3.28Å
16A98.4Very high97.7Very high0 Ų058.3 Ų58.30%028%0.277CS..Hα-helixtrans-65.6-37.1-178.800000112.2L8 K12 T13 F19 L20 Y157 M299L8-A16 HydrophobicContact CD1-CB 3.87Å; K12-A16 WeakPolarHBondContact O-CB 3.49Å; K12-A16 PolarHBondContact O-N 2.87Å; T13-A16 PolarHBondContact O-N 2.63Å; A16-F19 PolarHBondContact O-N 3.3Å; A16-L20 WeakPolarHBondContact O-CB 3.29Å; A16-L20 PolarHBondContact O-N 2.73Å; A16-Y157 HydrophobicContact CB-CD2 4.43Å; A16-Y157 HydrophobicContact CB-CE1 4.16Å; A16-Y157 HydrophobicContact CB-CE2 3.91Å; A16-Y157 PolarHBondContact N-OH 2.98Å; A16-M299 HydrophobicContact CB-CG 4.4Å; A16-M299 HydrophobicContact CB-SD 3.53Å; A16-M299 VanDerWaalsContact CB-SD 3.53Å
17I98.5Very high97.9Very high13 Ų1359.7 Ų59.77%0.06728%0.28CS..Hα-helixtrans-57.1-53.6172.6-70.9162.2000109.8T13 E15 F19 L20 R21 M299 V307 L328T13-I17 HydrophobicContact CG2-CD1 3.99Å; T13-I17 HydrophobicContact CG2-CG1 4.45Å; T13-I17 WeakPolarHBondContact O-CD1 3.49Å; T13-I17 WeakPolarHBondContact O-CG1 3.29Å; T13-I17 PolarHBondContact O-N 2.77Å; E15-I17 PolarHBondContact O-N 3.31Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 3.39Å; I17-L20 PolarHBondContact O-N 2.86Å; I17-R21 HydrophobicContact CG2-CG 4.44Å; I17-R21 WeakPolarHBondContact O-CB 3.44Å; I17-R21 VanDerWaalsContact O-CG 3.25Å; I17-R21 WeakPolarHBondContact O-CG 3.32Å; I17-R21 PolarHBondContact O-N 3.38Å; I17-M299 HydrophobicContact CG1-CE 3.54Å; I17-M299 HydrophobicContact CG1-SD 4.29Å; I17-V307 HydrophobicContact CD1-CB 3.94Å; I17-V307 HydrophobicContact CD1-CG1 4.34Å; I17-V307 HydrophobicContact CG1-CB 4.23Å; I17-V307 HydrophobicContact CG1-CG1 4.44Å; I17-L328 HydrophobicContact CD1-CD1 4.3Å
18K98.3Very high98Very high143 Ų14356.6 Ų56.662%0.62227%0.267SS*.Hα-helixtrans-60.5-44.2179.1177.9179.8176.9-177.10111.4Q14 E15 N22Q14-K18 PolarHBondContact O-N 3.45Å; E15-K18 PolarHBondContact O-N 2.9Å; K18-N22 VanDerWaalsContact O-CB 3.31Å; K18-N22 WeakPolarHBondContact O-CB 3.31Å; K18-N22 VanDerWaalsContact O-CG 3.25Å; K18-N22 PolarHBondContact O-N 2.88Å; K18-N22 PolarHBondContact O-ND2 3.07Å; K18-N22 VanDerWaalsContact O-ND2 3.11Å
19F98.4Very high98.1Very high76 Ų7657.8 Ų57.833%0.33328%0.275SS..Hα-helixtrans-62.2-51.2-179-179-95.3000111.8E15 A16 I17 N22 C23 I152 L153 A156 Y157E15-F19 WeakPolarHBondContact O-CB 3.38Å; E15-F19 PolarHBondContact O-N 3.17Å; A16-F19 PolarHBondContact O-N 3.3Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 3.39Å; F19-N22 PolarHBondContact O-N 2.82Å; F19-C23 WeakPolarHBondContact O-CB 3.4Å; F19-C23 PolarHBondContact O-N 2.99Å; F19-I152 HydrophobicContact CE1-CG2 3.73Å; F19-I152 HydrophobicContact CZ-CG2 3.54Å; F19-L153 HydrophobicContact CD1-CD1 3.83Å; F19-L153 HydrophobicContact CE1-CD1 4.29Å; F19-A156 HydrophobicContact CE1-CB 3.86Å; F19-A156 HydrophobicContact CZ-CB 3.83Å; F19-Y157 HydrophobicContact CD1-CE2 4.23Å; F19-Y157 HydrophobicContact CG-CE2 4.45Å
20L98.5Very high98.1Very high0 Ų057.6 Ų57.60%029%0.285CS..Hα-helixtrans-60.6-48.2178.5176.8162000111.2A16 I17 N22 C23 F24 W119 T149 L153 L294 F298A16-L20 WeakPolarHBondContact O-CB 3.29Å; A16-L20 PolarHBondContact O-N 2.73Å; I17-L20 PolarHBondContact O-N 2.86Å; L20-N22 PolarHBondContact O-N 3.46Å; L20-C23 PolarHBondContact O-N 2.8Å; L20-F24 WeakPolarHBondContact O-CB 3.02Å; L20-F24 PolarHBondContact O-N 2.91Å; L20-W119 HydrophobicContact CD2-CH2 4.24Å; L20-T149 HydrophobicContact CG-CG2 4.19Å; L20-L153 HydrophobicContact CB-CD1 4.28Å; L20-L153 HydrophobicContact CD1-CD2 3.98Å; L20-L294 HydrophobicContact CD2-CD2 3.77Å; L20-F298 HydrophobicContact CD1-CB 3.78Å; L20-F298 HydrophobicContact CD1-CD2 3.97Å; L20-F298 HydrophobicContact CD1-CG 4.31Å
21R98.4Very high98.2Very high48 Ų4860.5 Ų60.518%0.18129%0.289CS..Hα-helixtrans-60.1-47-179.8-71.1-179.3-174.6-147.15.9111.5I17 C23 F24 Q25 D117 W119 S292I17-R21 HydrophobicContact CG2-CG 4.44Å; I17-R21 WeakPolarHBondContact O-CB 3.44Å; I17-R21 VanDerWaalsContact O-CG 3.25Å; I17-R21 WeakPolarHBondContact O-CG 3.32Å; I17-R21 PolarHBondContact O-N 3.38Å; R21-C23 VanDerWaalsContact C-N 3.33Å; R21-C23 PolarHBondContact O-N 3.22Å; R21-F24 PolarHBondContact O-N 3.11Å; R21-Q25 WeakPolarHBondContact O-CB 3.49Å; R21-Q25 VanDerWaalsContact O-CG 3.27Å; R21-Q25 WeakPolarHBondContact O-CG 3.36Å; R21-Q25 PolarHBondContact O-N 2.84Å; R21-Q25 PolarHBondContact O-OE1 3.17Å; R21-D117 IonicContact CZ-OD2 3.23Å; R21-D117 IonicContact NH1-OD2 3.15Å; R21-D117 PolarHBondContact NH1-OD2 3.49Å; R21-D117 IonicContact NH2-OD2 3.73Å; R21-D117 PolarHBondContact NH2-OD2 3.07Å; R21-W119 HydrophobicContact CB-CH2 4.49Å; R21-W119 HydrophobicContact CB-CZ2 3.86Å; R21-W119 HydrophobicContact CG-CH2 4.04Å; R21-W119 HydrophobicContact CG-CZ2 3.77Å; R21-S292 PolarHBondContact NH2-OG 3.13Å
22N98.3Very high98.2Very high64 Ų6454.2 Ų54.234%0.34226%0.26SS..Hα-helixtrans-62.7-37.7176.8-77.5-31.3000113.1K18 F19 L20 Q25 K26K18-N22 VanDerWaalsContact O-CB 3.31Å; K18-N22 WeakPolarHBondContact O-CB 3.31Å; K18-N22 VanDerWaalsContact O-CG 3.25Å; K18-N22 PolarHBondContact O-N 2.88Å; K18-N22 PolarHBondContact O-ND2 3.07Å; K18-N22 VanDerWaalsContact O-ND2 3.11Å; F19-N22 PolarHBondContact O-N 2.82Å; L20-N22 PolarHBondContact O-N 3.46Å; N22-Q25 WeakPolarHBondContact O-CG 3.38Å; N22-K26 WeakPolarHBondContact O-CD 3.09Å; N22-K26 VanDerWaalsContact O-CG 3.24Å; N22-K26 WeakPolarHBondContact O-CG 3.19Å
23C98.1Very high98.2Very high15 Ų1553.9 Ų53.910%0.10126%0.263CS..Hα-helixtrans-66.8-55.2176.6-178.30000110.2F19 L20 R21 Q25 K26 Q27 T149 I152F19-C23 WeakPolarHBondContact O-CB 3.4Å; F19-C23 PolarHBondContact O-N 2.99Å; L20-C23 PolarHBondContact O-N 2.8Å; R21-C23 VanDerWaalsContact C-N 3.33Å; R21-C23 PolarHBondContact O-N 3.22Å; C23-Q25 PolarHBondContact O-N 3.09Å; C23-K26 PolarHBondContact O-N 2.87Å; C23-Q27 WeakPolarHBondContact O-CG 3.45Å; C23-Q27 PolarHBondContact O-N 2.95Å; C23-Q27 VanDerWaalsContact O-N 3.11Å; C23-T149 HydrophobicContact CB-CG2 4.23Å; C23-I152 VanDerWaalsContact SG-CD1 3.59Å
24F98.7Very high98.2Very high0 Ų054.3 Ų54.30%027%0.265CS..Hα-helixtrans-60.7-47-175-171.7-105.3000112.1L20 R21 K26 Q27 L28 W119 C145 M146 T149 I289 L294L20-F24 WeakPolarHBondContact O-CB 3.02Å; L20-F24 PolarHBondContact O-N 2.91Å; R21-F24 PolarHBondContact O-N 3.11Å; F24-K26 PolarHBondContact O-N 2.75Å; F24-Q27 PolarHBondContact O-N 3.24Å; F24-Q27 VanDerWaalsContact O-N 3.12Å; F24-L28 HydrophobicContact CE1-CB 4.44Å; F24-L28 HydrophobicContact CE1-CD1 4.45Å; F24-L28 HydrophobicContact CE1-CD2 4.21Å; F24-L28 HydrophobicContact CZ-CD1 4.38Å; F24-L28 WeakPolarHBondContact O-CB 3.44Å; F24-L28 PolarHBondContact O-N 3.01Å; F24-W119 HydrophobicContact CB-CH2 4.29Å; F24-W119 HydrophobicContact CB-CZ2 4.43Å; F24-W119 AromaticContact CD1-CD2 3.74Å; F24-W119 HydrophobicContact CD1-CD2 3.74Å; F24-W119 AromaticContact CD1-CE3 3.48Å; F24-W119 HydrophobicContact CD1-CE3 3.48Å; F24-W119 VanDerWaalsContact CD1-CE3 3.48Å; F24-W119 AromaticContact CD1-CH2 3.86Å; F24-W119 HydrophobicContact CD1-CH2 3.86Å; F24-W119 HydrophobicContact CD1-CZ2 4.11Å; F24-W119 AromaticContact CD1-CZ3 3.54Å; F24-W119 HydrophobicContact CD1-CZ3 3.54Å; F24-W119 HydrophobicContact CE1-CD2 4.07Å; F24-W119 AromaticContact CE1-CE3 3.63Å; F24-W119 HydrophobicContact CE1-CE3 3.63Å; F24-W119 AromaticContact CE1-CZ3 3.98Å; F24-W119 HydrophobicContact CE1-CZ3 3.98Å; F24-W119 HydrophobicContact CG-CH2 4.39Å; F24-W119 HydrophobicContact CG-CZ3 4.35Å; F24-C145 HydrophobicContact CD2-CB 4.39Å; F24-C145 HydrophobicContact CE2-CB 3.87Å; F24-M146 HydrophobicContact CE2-CB 4.37Å; F24-M146 HydrophobicContact CE2-CG 3.58Å; F24-M146 HydrophobicContact CZ-CE 4.43Å; F24-M146 HydrophobicContact CZ-CG 4.13Å; F24-T149 WeakPolarHBondContact CA-OG1 3.05Å; F24-T149 HydrophobicContact CB-CG2 4.15Å; F24-I289 HydrophobicContact CE1-CB 4.5Å; F24-I289 HydrophobicContact CE1-CD1 3.84Å; F24-I289 HydrophobicContact CE1-CG2 4Å; F24-I289 HydrophobicContact CZ-CD1 3.89Å; F24-I289 HydrophobicContact CZ-CG2 4.23Å; F24-L294 HydrophobicContact CB-CD2 4.19Å; F24-L294 HydrophobicContact CD1-CD2 4.03Å; F24-L294 HydrophobicContact CD2-CD2 3.93Å; F24-L294 HydrophobicContact CE1-CD2 4.42Å; F24-L294 HydrophobicContact CE2-CD2 4.35Å; F24-L294 HydrophobicContact CG-CD2 3.76Å
25Q98.2Very high98.2Very high40 Ų4054.7 Ų54.719%0.18727%0.27CS..Hα-helixtrans-62-32.4-179.374.3-17670.400112.9R21 N22 C23 S29 Y96R21-Q25 WeakPolarHBondContact O-CB 3.49Å; R21-Q25 VanDerWaalsContact O-CG 3.27Å; R21-Q25 WeakPolarHBondContact O-CG 3.36Å; R21-Q25 PolarHBondContact O-N 2.84Å; R21-Q25 PolarHBondContact O-OE1 3.17Å; N22-Q25 WeakPolarHBondContact O-CG 3.38Å; C23-Q25 PolarHBondContact O-N 3.09Å; Q25-S29 WeakPolarHBondContact O-CB 3.02Å; Q25-S29 PolarHBondContact O-N 2.9Å; Q25-S29 PolarHBondContact O-OG 3.48Å; Q25-S29 VanDerWaalsContact O-OG 3.09Å; Q25-Y96 HydrophobicContact CB-CE2 3.97Å
26K98.2Very high98.2Very high139 Ų13954 Ų5460%0.60426%0.263SS*.Hα-helixtrans-70.9-40.8176-76.3176-179.1-178.80111.4N22 C23 F24 S29 A30N22-K26 WeakPolarHBondContact O-CD 3.09Å; N22-K26 VanDerWaalsContact O-CG 3.24Å; N22-K26 WeakPolarHBondContact O-CG 3.19Å; C23-K26 PolarHBondContact O-N 2.87Å; F24-K26 PolarHBondContact O-N 2.75Å; K26-S29 PolarHBondContact O-OG 3.37Å; K26-A30 VanDerWaalsContact O-CB 3.31Å; K26-A30 WeakPolarHBondContact O-CB 3.44Å; K26-A30 PolarHBondContact O-N 2.93Å
27Q98.3Very high98.2Very high62 Ų6254.7 Ų54.729%0.2927%0.267SS..Hα-helixtrans-64.9-48.4175-60.4-53.5-36.800110.3C23 F24 S29 A30 R31 C145 V148C23-Q27 WeakPolarHBondContact O-CG 3.45Å; C23-Q27 PolarHBondContact O-N 2.95Å; C23-Q27 VanDerWaalsContact O-N 3.11Å; F24-Q27 PolarHBondContact O-N 3.24Å; F24-Q27 VanDerWaalsContact O-N 3.12Å; Q27-S29 PolarHBondContact O-N 3.27Å; Q27-A30 PolarHBondContact O-N 2.96Å; Q27-R31 WeakPolarHBondContact O-CB 3.33Å; Q27-R31 PolarHBondContact O-N 3.18Å; Q27-C145 VanDerWaalsContact C-SG 3.59Å; Q27-C145 HydrophobicContact CB-CB 3.77Å; Q27-V148 HydrophobicContact CG-CG1 4.08Å
28L98.5Very high98.1Very high0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-58.5-49.4-179.4-170.671.6000111.2F24 A30 L32 L34 W119 I142 I289F24-L28 HydrophobicContact CE1-CB 4.44Å; F24-L28 HydrophobicContact CE1-CD1 4.45Å; F24-L28 HydrophobicContact CE1-CD2 4.21Å; F24-L28 HydrophobicContact CZ-CD1 4.38Å; F24-L28 WeakPolarHBondContact O-CB 3.44Å; F24-L28 PolarHBondContact O-N 3.01Å; L28-A30 PolarHBondContact O-N 3.47Å; L28-L32 HydrophobicContact CD1-CD1 3.69Å; L28-L32 HydrophobicContact CG-CD1 4.41Å; L28-L32 WeakPolarHBondContact O-CB 3.43Å; L28-L32 PolarHBondContact O-N 2.84Å; L28-L32 VanDerWaalsContact O-N 3.13Å; L28-L34 HydrophobicContact CD2-CD1 4.34Å; L28-L34 HydrophobicContact CG-CD1 3.94Å; L28-W119 HydrophobicContact CD2-CB 3.93Å; L28-W119 HydrophobicContact CD2-CG 4.35Å; L28-I142 HydrophobicContact CD1-CG1 4.07Å; L28-I289 HydrophobicContact CD1-CD1 3.92Å; L28-I289 HydrophobicContact CD2-CD1 4.15Å
29S98.1Very high97.9Very high29 Ų2953.9 Ų53.920%0.20328%0.283CS..Hα-helixtrans-64.6-41.8-178.967.20000113.1Q25 K26 Q27 N33 L34Q25-S29 WeakPolarHBondContact O-CB 3.02Å; Q25-S29 PolarHBondContact O-N 2.9Å; Q25-S29 PolarHBondContact O-OG 3.48Å; Q25-S29 VanDerWaalsContact O-OG 3.09Å; K26-S29 PolarHBondContact O-OG 3.37Å; Q27-S29 PolarHBondContact O-N 3.27Å; S29-N33 WeakPolarHBondContact O-CA 3.41Å; S29-N33 PolarHBondContact O-N 3.41Å; S29-N33 VanDerWaalsContact O-N 3.07Å; S29-L34 WeakPolarHBondContact CB-O 3.29Å; S29-L34 PolarHBondContact O-N 3.13Å
30A97.6Very high97.8Very high80 Ų8052 Ų5266%0.66128%0.278SS*.Hα-helixtrans-70.1-44.7178.800000112.3K26 Q27 L28 L32K26-A30 VanDerWaalsContact O-CB 3.31Å; K26-A30 WeakPolarHBondContact O-CB 3.44Å; K26-A30 PolarHBondContact O-N 2.93Å; Q27-A30 PolarHBondContact O-N 2.96Å; L28-A30 PolarHBondContact O-N 3.47Å; A30-L32 VanDerWaalsContact C-N 3.34Å; A30-L32 PolarHBondContact O-N 3.49Å
31R97.6Very high97.7Very high123 Ų12356.3 Ų56.346%0.46430%0.301SS..Hα-helixtrans-71.2-29.9-173.9-16570.4165124.1-1.2112.8Q27 K141 D144 C145Q27-R31 WeakPolarHBondContact O-CB 3.33Å; Q27-R31 PolarHBondContact O-N 3.18Å; R31-K141 HydrophobicContact CG-CB 3.83Å; R31-K141 HydrophobicContact CG-CD 4.48Å; R31-K141 HydrophobicContact CG-CG 4.09Å; R31-D144 IonicContact CZ-OD2 3.12Å; R31-D144 IonicContact NE-OD2 3.65Å; R31-D144 IonicContact NH2-OD2 3.93Å; R31-D144 PolarHBondContact NH2-OD2 3.41Å; R31-C145 VanDerWaalsContact CB-SG 3.5Å
32L98Very high97.5Very high10 Ų1058.9 Ų58.95%0.05231%0.313CS..Hα-helixtrans-110.66.2-176.7-65.3-176.3000114.1L28 A30 L34 W121 I123 V138 K141 I142L28-L32 HydrophobicContact CD1-CD1 3.69Å; L28-L32 HydrophobicContact CG-CD1 4.41Å; L28-L32 WeakPolarHBondContact O-CB 3.43Å; L28-L32 PolarHBondContact O-N 2.84Å; L28-L32 VanDerWaalsContact O-N 3.13Å; A30-L32 VanDerWaalsContact C-N 3.34Å; A30-L32 PolarHBondContact O-N 3.49Å; L32-L34 HydrophobicContact CB-CD1 3.8Å; L32-L34 HydrophobicContact CB-CD2 3.88Å; L32-L34 HydrophobicContact CB-CG 3.61Å; L32-L34 HydrophobicContact CD1-CD1 4.1Å; L32-L34 WeakPolarHBondContact O-CD2 3.22Å; L32-W121 HydrophobicContact CD1-CD2 4.41Å; L32-W121 HydrophobicContact CD1-CE3 4.21Å; L32-W121 HydrophobicContact CD1-CZ3 4.37Å; L32-I123 HydrophobicContact CB-CD1 3.89Å; L32-I123 HydrophobicContact CD1-CD1 4.28Å; L32-I123 HydrophobicContact CD2-CD1 4.14Å; L32-I123 HydrophobicContact CG-CD1 4.34Å; L32-V138 HydrophobicContact CD2-CG1 4.16Å; L32-K141 HydrophobicContact CD2-CB 3.82Å; L32-K141 HydrophobicContact CD2-CD 3.8Å; L32-K141 HydrophobicContact CD2-CG 4.48Å; L32-I142 HydrophobicContact CD1-CD1 4.07Å; L32-I142 HydrophobicContact CD1-CG1 3.73Å
33N97.5Very high97.3Very high92 Ų9256 Ų5649%0.49230%0.298SS..THydrogen-bonded Turntrans53.954.6-177.7-172.442.3000112.7S29 Y92 D93 G94S29-N33 WeakPolarHBondContact O-CA 3.41Å; S29-N33 PolarHBondContact O-N 3.41Å; S29-N33 VanDerWaalsContact O-N 3.07Å; N33-Y92 PolarHBondContact ND2-O 3.45Å; N33-D93 PolarHBondContact ND2-OD1 3.19Å; N33-G94 PolarHBondContact O-N 3.23Å; N33-G94 VanDerWaalsContact O-N 3.11Å
34L98.6Very high97.1Very high13 Ų1358.2 Ų58.27%0.06831%0.312CS..EExtended strand (participates in β ladder)trans-106.4128.1-174.8-46.9174.7000112.3L28 S29 L32 G94 Y96 W121 I123L28-L34 HydrophobicContact CD2-CD1 4.34Å; L28-L34 HydrophobicContact CG-CD1 3.94Å; S29-L34 WeakPolarHBondContact CB-O 3.29Å; S29-L34 PolarHBondContact O-N 3.13Å; L32-L34 HydrophobicContact CB-CD1 3.8Å; L32-L34 HydrophobicContact CB-CD2 3.88Å; L32-L34 HydrophobicContact CB-CG 3.61Å; L32-L34 HydrophobicContact CD1-CD1 4.1Å; L32-L34 WeakPolarHBondContact O-CD2 3.22Å; L34-G94 WeakPolarHBondContact CA-O 3.44Å; L34-Y96 HydrophobicContact CB-CD1 3.73Å; L34-Y96 HydrophobicContact CB-CG 4.44Å; L34-Y96 HydrophobicContact CD1-CD1 4.49Å; L34-W121 HydrophobicContact CD1-CB 3.94Å; L34-I123 HydrophobicContact CD2-CD1 4.01Å; L34-I123 HydrophobicContact CD2-CG1 3.5Å; L34-I123 VanDerWaalsContact CD2-CG1 3.5Å
35L98Very high96.8Very high100 Ų10060 Ų6052%0.52433%0.327SS..EExtended strand (participates in β ladder)trans-80.9128.7167.1178.764000110.5V37 G94 I95 Y96L35-V37 HydrophobicContact CB-CG1 4.45Å; L35-V37 HydrophobicContact CD2-CG1 3.9Å; L35-V37 HydrophobicContact CG-CG1 3.86Å; L35-V37 PolarHBondContact O-N 3.04Å; L35-G94 PolarHBondContact N-O 3.37Å; L35-I95 HydrophobicContact CB-CG2 4.49Å; L35-I95 CarbonylContact O-C 3.54Å; L35-I95 WeakPolarHBondContact O-CA 3.43Å; L35-Y96 PolarHBondContact O-N 3.22Å
36R98Very high96.4Very high88 Ų8864.3 Ų64.333%0.33235%0.351SS..EExtended strand (participates in β ladder)trans-70.1122.5169.3-177.373-175.574.34.6109.3Y96 T97 D98R36-Y96 WeakPolarHBondContact CA-O 3.19Å; R36-Y96 HydrophobicContact CB-CD1 4.23Å; R36-Y96 HydrophobicContact CB-CE1 3.54Å; R36-Y96 HydrophobicContact CG-CE1 4.29Å; R36-Y96 HydrophobicContact CG-CE2 4.41Å; R36-Y96 PolarHBondContact NH1-O 3.19Å; R36-T97 VanDerWaalsContact NH1-CA 3.29Å; R36-D98 IonicContact CZ-OD2 3.8Å; R36-D98 IonicContact NE-OD1 3.18Å; R36-D98 IonicContact NE-OD2 3.72Å; R36-D98 PolarHBondContact NE-OD2 2.82Å; R36-D98 IonicContact NH2-OD2 2.8Å; R36-D98 PolarHBondContact NH2-OD2 3.17Å
37V97.8Very high96Very high14 Ų1458.2 Ų58.29%0.08533%0.326CS..  trans-128.9143.3178.8-58.40000112.9L35 A39 W79 Y87 I95 Y96 T97L35-V37 HydrophobicContact CB-CG1 4.45Å; L35-V37 HydrophobicContact CD2-CG1 3.9Å; L35-V37 HydrophobicContact CG-CG1 3.86Å; L35-V37 PolarHBondContact O-N 3.04Å; V37-A39 PolarHBondContact O-N 2.71Å; V37-W79 HydrophobicContact CG2-CH2 4.01Å; V37-W79 HydrophobicContact CG2-CZ3 4.32Å; V37-Y87 HydrophobicContact CB-CE2 4.28Å; V37-Y87 HydrophobicContact CG1-CE2 4.23Å; V37-Y87 HydrophobicContact CG2-CE2 4.39Å; V37-I95 HydrophobicContact CG1-CB 4.28Å; V37-I95 HydrophobicContact CG1-CG2 3.75Å; V37-I95 HydrophobicContact CG2-CB 3.82Å; V37-I95 HydrophobicContact CG2-CD1 3.9Å; V37-I95 HydrophobicContact CG2-CG1 4.38Å; V37-I95 HydrophobicContact CG2-CG2 4.06Å; V37-Y96 PolarHBondContact N-O 3.42Å; V37-T97 HydrophobicContact CG2-CG2 3.65Å; V37-T97 VanDerWaalsContact O-CG2 3.24Å; V37-T97 WeakPolarHBondContact O-CG2 3.24Å
38S96.3Very high95.8Very high104 Ų10455.5 Ų55.573%0.72732%0.315SS*.PPolyproline II helixtrans-58.2129.6-179.8-59.50000112.5W79S38-W79 WeakPolarHBondContact O-CH2 3.36Å
39A95.3Very high95.6Very high35 Ų3556.4 Ų56.429%0.28932%0.32SS..PPolyproline II helixtrans-89.2140.6177.700000111.1V37 L76 T97V37-A39 PolarHBondContact O-N 2.71Å; A39-L76 HydrophobicContact CB-CD1 3.48Å; A39-L76 VanDerWaalsContact CB-CD1 3.48Å; A39-T97 HydrophobicContact CB-CG2 4.14Å
40P96.1Very high95.3Very high35 Ų3555.4 Ų55.423%0.22731%0.312CS..PPolyproline II helixtrans-73.4142.6166.831.9-33.8000110.5V43 N73 L76 W79P40-V43 HydrophobicContact CG-CG1 4.32Å; P40-N73 PolarHBondContact O-ND2 3.07Å; P40-L76 HydrophobicContact CG-CD2 3.66Å; P40-W79 VanDerWaalsContact CD-CE2 3.44Å; P40-W79 HydrophobicContact CG-CD2 3.96Å; P40-W79 HydrophobicContact CG-CG 3.96Å; P40-W79 HydrophobicContact CG-CZ2 4.34Å
41L95.2Very high94.9Very high92 Ų9251.8 Ų51.848%0.48228%0.281SS..SBendtrans-82-27.9169.3-177.761.9000111.8N73 N100L41-N73 VanDerWaalsContact C-ND2 3.28Å; L41-N73 PolarHBondContact O-N 3.37Å; L41-N73 VanDerWaalsContact O-N 3.11Å; L41-N73 PolarHBondContact O-ND2 3.06Å; L41-N100 HydrophobicContact CD1-CB 4.47Å
42F95.4Very high94.4Very high101 Ų10148.3 Ų48.344%0.44327%0.272SS..EExtended strand (participates in β ladder)trans-144.5156.5-179.451.1-96.6000110.9F62 A70 L71 N73F42-F62 HydrophobicContact CB-CE1 3.93Å; F42-F62 HydrophobicContact CB-CZ 3.93Å; F42-F62 HydrophobicContact CD1-CE1 4.48Å; F42-F62 AromaticContact CD1-CZ 3.84Å; F42-F62 HydrophobicContact CD1-CZ 3.84Å; F42-F62 AromaticContact CD2-CZ 3.99Å; F42-F62 HydrophobicContact CD2-CZ 3.99Å; F42-F62 HydrophobicContact CE1-CZ 4.34Å; F42-F62 HydrophobicContact CE2-CZ 4.47Å; F42-F62 HydrophobicContact CG-CE1 4.18Å; F42-F62 AromaticContact CG-CZ 3.65Å; F42-F62 HydrophobicContact CG-CZ 3.65Å; F42-A70 HydrophobicContact CB-CB 4.46Å; F42-A70 HydrophobicContact CD2-CB 4.09Å; F42-L71 CarbonylContact C-O 3.49Å; F42-L71 WeakPolarHBondContact CA-O 3.3Å; F42-L71 WeakPolarHBondContact CB-O 3.47Å; F42-N73 PolarHBondContact N-ND2 2.82Å
43V94.7Very high93.9Very high5 Ų549 Ų493%0.0328%0.276CS..EExtended strand (participates in β ladder)trans-129.5157.5179.3-67.10000111P40 A45 L49 Q50 A70 L71 N73P40-V43 HydrophobicContact CG-CG1 4.32Å; V43-A45 PolarHBondContact O-N 2.91Å; V43-L49 HydrophobicContact CB-CB 4.42Å; V43-L49 HydrophobicContact CG1-CB 4.32Å; V43-L49 HydrophobicContact CG1-CD1 4.47Å; V43-L49 HydrophobicContact CG2-CB 4.35Å; V43-Q50 HydrophobicContact CG2-CB 4.22Å; V43-A70 WeakPolarHBondContact O-CA 3.39Å; V43-L71 PolarHBondContact N-O 2.8Å; V43-L71 PolarHBondContact O-N 3.01Å; V43-N73 WeakPolarHBondContact CG1-OD1 2.99Å; V43-N73 WeakPolarHBondContact CG2-OD1 3.39Å
44P93.7Very high93.3Very high61 Ų6146.7 Ų46.740%0.39627%0.267SS..EExtended strand (participates in β ladder)trans-59.3134.4171.7-21.633.3000111N46 S47P44-N46 PolarHBondContact O-N 3.49Å; P44-S47 WeakPolarHBondContact O-CB 3.32Å; P44-S47 PolarHBondContact O-N 3.48Å; P44-S47 VanDerWaalsContact O-N 3.12Å; P44-S47 PolarHBondContact O-OG 3.3Å
45A91.9Very high92.7Very high38 Ų3848.3 Ų48.331%0.31429%0.287SS..THydrogen-bonded Turntrans-61.7-29.1-173.700000113.7V43 T69 L71V43-A45 PolarHBondContact O-N 2.91Å; A45-T69 HydrophobicContact CB-CG2 3.97Å; A45-T69 WeakPolarHBondContact CB-O 3.44Å; A45-T69 PolarHBondContact N-O 3.45Å; A45-L71 HydrophobicContact CB-CD1 3.96Å; A45-L71 HydrophobicContact CB-CG 3.9Å
46N88.7Confident92.2Very high129 Ų12951.8 Ų51.869%0.6930%0.3SS*.THydrogen-bonded Turntrans-88.3-2.5-179.364.1-17.4000114.3P44 G48P44-N46 PolarHBondContact O-N 3.49Å; N46-G48 VanDerWaalsContact C-N 3.29Å; N46-G48 PolarHBondContact O-N 3.01Å
47S91.2Very high91.9Very high11 Ų1150.8 Ų50.88%0.07730%0.299CS..SBendtrans-72.5-18.9-174.764.30000114.4P44 L49P44-S47 WeakPolarHBondContact O-CB 3.32Å; P44-S47 PolarHBondContact O-N 3.48Å; P44-S47 VanDerWaalsContact O-N 3.12Å; P44-S47 PolarHBondContact O-OG 3.3Å; S47-L49 PolarHBondContact O-N 2.99Å; S47-L49 WeakPolarHBondContact OG-CB 3.5Å; S47-L49 WeakPolarHBondContact OG-CG 3.31Å; S47-L49 PolarHBondContact OG-N 3.19Å
48G93.2Very high91.7Very high6 Ų656.7 Ų56.76%0.06232%0.32CS..SBendtrans697.6-170.100000114.6N46 K78N46-G48 VanDerWaalsContact C-N 3.29Å; N46-G48 PolarHBondContact O-N 3.01Å; G48-K78 WeakPolarHBondContact O-CD 3.43Å; G48-K78 WeakPolarHBondContact O-CE 3.24Å; G48-K78 PolarHBondContact O-NZ 2.61Å
49L95.1Very high91.4Very high18 Ų1853 Ų539%0.09430%0.296CS..  trans-82.6-21.6-178.1-62.9173.2000114.1V43 S47 D51 M82 Y272V43-L49 HydrophobicContact CB-CB 4.42Å; V43-L49 HydrophobicContact CG1-CB 4.32Å; V43-L49 HydrophobicContact CG1-CD1 4.47Å; V43-L49 HydrophobicContact CG2-CB 4.35Å; S47-L49 PolarHBondContact O-N 2.99Å; S47-L49 WeakPolarHBondContact OG-CB 3.5Å; S47-L49 WeakPolarHBondContact OG-CG 3.31Å; S47-L49 PolarHBondContact OG-N 3.19Å; L49-D51 PolarHBondContact O-N 2.87Å; L49-M82 HydrophobicContact CD1-CE 3.92Å; L49-M82 HydrophobicContact CD2-CB 4.08Å; L49-M82 HydrophobicContact CD2-CE 4.42Å; L49-M82 HydrophobicContact CD2-CG 4.39Å; L49-Y272 HydrophobicContact CD2-CD2 3.83Å; L49-Y272 HydrophobicContact CD2-CG 4.35Å
50Q91.7Very high91.4Very high9 Ų953.6 Ų53.64%0.04229%0.294CS..SBendtrans-62.4129.4177.7178.967.317.200110V43 D52 A59 L71 I72 N73 Q74 K78V43-Q50 HydrophobicContact CG2-CB 4.22Å; Q50-D52 PolarHBondContact O-N 3.11Å; Q50-A59 HydrophobicContact CG-CB 4.43Å; Q50-L71 HydrophobicContact CB-CD1 3.96Å; Q50-L71 HydrophobicContact CG-CB 4.41Å; Q50-L71 HydrophobicContact CG-CD1 3.97Å; Q50-I72 PolarHBondContact NE2-O 3.27Å; Q50-I72 PolarHBondContact OE1-O 3.46Å; Q50-N73 VanDerWaalsContact OE1-CA 3.31Å; Q50-N73 PolarHBondContact OE1-OD1 2.85Å; Q50-Q74 VanDerWaalsContact NE2-N 3.12Å; Q50-K78 WeakPolarHBondContact O-CE 3.49Å; Q50-K78 PolarHBondContact O-NZ 3.49Å
51D88.1Confident91.4Very high3 Ų358.1 Ų58.12%0.01631%0.313CS..  trans-69.8123167-173.62.1000109.7L49 L53 Q74 S75 Y221L49-D51 PolarHBondContact O-N 2.87Å; D51-L53 PolarHBondContact OD1-N 3.32Å; D51-Q74 PolarHBondContact O-OE1 3.15Å; D51-S75 WeakPolarHBondContact CB-OG 3.39Å; D51-S75 VanDerWaalsContact CG-OG 3.29Å; D51-S75 WeakPolarHBondContact OD2-CB 3.35Å; D51-S75 PolarHBondContact OD2-OG 2.8Å; D51-Y221 WeakPolarHBondContact OD1-CE1 3.37Å
52D87Confident91.5Very high50 Ų5056.8 Ų56.827%0.26730%0.304SS..  trans-91.8-0.7-178.4-56.9-68.4000112Q50 S54 G55 K78 R267Q50-D52 PolarHBondContact O-N 3.11Å; D52-S54 PolarHBondContact O-N 2.84Å; D52-G55 WeakPolarHBondContact O-CA 3.48Å; D52-G55 PolarHBondContact O-N 3.14Å; D52-K78 IonicContact OD2-NZ 2.96Å; D52-K78 PolarHBondContact OD2-NZ 2.8Å; D52-R267 IonicContact OD2-CZ 3.8Å; D52-R267 IonicContact OD2-NE 2.64Å; D52-R267 IonicContact OD2-NH1 3.1Å; D52-R267 PolarHBondContact OD2-NH1 2.86Å; D52-R267 IonicContact OD2-NH2 2.78Å
53L88.3Confident91.5Very high25 Ų2558.6 Ų58.613%0.13132%0.318CS..THydrogen-bonded Turntrans50.1-118.1-176.3-61.6176.5000111.8D51 G55 E57 Q74D51-L53 PolarHBondContact OD1-N 3.32Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-E57 HydrophobicContact CB-CG 4.47Å; L53-E57 WeakPolarHBondContact CB-OE2 3.49Å; L53-E57 HydrophobicContact CD1-CB 4.32Å; L53-E57 HydrophobicContact CD1-CG 4.09Å; L53-Q74 HydrophobicContact CD1-CB 4.27Å; L53-Q74 HydrophobicContact CD1-CG 4.43Å; L53-Q74 HydrophobicContact CG-CB 4.34Å
54S85.1Confident91.5Very high44 Ų4460.1 Ų60.131%0.30833%0.328SS..THydrogen-bonded Turntrans-79.7-17.1176.475.40000113.1D52 E56 E57D52-S54 PolarHBondContact O-N 2.84Å; S54-E56 PolarHBondContact OG-N 3.16Å; S54-E57 WeakPolarHBondContact CB-OE2 3.49Å; S54-E57 PolarHBondContact N-OE2 3.3Å; S54-E57 PolarHBondContact OG-OE1 3.42Å; S54-E57 PolarHBondContact OG-OE2 3.16Å
55G84.9Confident91.6Very high47 Ų4767.8 Ų67.849%0.48536%0.355SS..SBendtrans94.7-5.3-173.400000114D52 L53 E57D52-G55 WeakPolarHBondContact O-CA 3.48Å; D52-G55 PolarHBondContact O-N 3.14Å; L53-G55 VanDerWaalsContact C-N 3.33Å; G55-E57 PolarHBondContact N-OE2 3.03Å
56E87.8Confident91.8Very high173 Ų17370.3 Ų70.381%0.80837%0.37SS*.  trans-93.8-28.3175.6-60.3-167.8165.500112.5S54S54-E56 PolarHBondContact OG-N 3.16Å
57E91.5Very high92.1Very high67 Ų6767.5 Ų67.531%0.31337%0.371SS..SBendtrans-72.1134.6-175.6-58.890.4154.600112.1L53 S54 G55L53-E57 HydrophobicContact CB-CG 4.47Å; L53-E57 WeakPolarHBondContact CB-OE2 3.49Å; L53-E57 HydrophobicContact CD1-CB 4.32Å; L53-E57 HydrophobicContact CD1-CG 4.09Å; S54-E57 WeakPolarHBondContact CB-OE2 3.49Å; S54-E57 PolarHBondContact N-OE2 3.3Å; S54-E57 PolarHBondContact OG-OE1 3.42Å; S54-E57 PolarHBondContact OG-OE2 3.16Å; G55-E57 PolarHBondContact N-OE2 3.03Å
58R93.5Very high92.2Very high137 Ų13773 Ų7352%0.51740%0.396SS..PPolyproline II helixtrans-86.7120.7180-57.3170.9-61.7173.8-1110.5R104 D105R58-R104 VanDerWaalsContact O-CD 3.22Å; R58-R104 WeakPolarHBondContact O-CD 3.45Å; R58-R104 WeakPolarHBondContact O-CG 3.38Å; R58-D105 VanDerWaalsContact CB-OD2 3.24Å; R58-D105 WeakPolarHBondContact CB-OD2 3.31Å; R58-D105 WeakPolarHBondContact CG-OD2 3.22Å; R58-D105 IonicContact CZ-OD1 2.83Å; R58-D105 IonicContact CZ-OD2 2.64Å; R58-D105 PolarHBondContact N-OD2 3.24Å; R58-D105 IonicContact NE-OD1 3.07Å; R58-D105 PolarHBondContact NE-OD1 3.28Å; R58-D105 IonicContact NE-OD2 2.94Å; R58-D105 PolarHBondContact NE-OD2 3.49Å; R58-D105 IonicContact NH2-OD1 3.97Å; R58-D105 PolarHBondContact NH2-OD1 2.96Å; R58-D105 IonicContact NH2-OD2 2.61Å
59A91.6Very high92.4Very high27 Ų2775.7 Ų75.722%0.22341%0.411CS..PPolyproline II helixtrans-68.4152.2166.500000111.4Q50 M61 L71Q50-A59 HydrophobicContact CG-CB 4.43Å; A59-M61 PolarHBondContact O-N 3.16Å; A59-L71 HydrophobicContact CB-CD2 3.97Å
60I95Very high92.5Very high47 Ų4775.1 Ų75.124%0.24141%0.409CS..  trans-81.5112.1173-61.8172.7000108L71 I72 I102 R104I60-L71 WeakPolarHBondContact O-CA 3.44Å; I60-I72 HydrophobicContact CB-CB 4.13Å; I60-I72 HydrophobicContact CB-CD1 3.94Å; I60-I72 HydrophobicContact CB-CG1 4.08Å; I60-I72 HydrophobicContact CD1-CD1 4.18Å; I60-I72 HydrophobicContact CG2-CD1 3.74Å; I60-I72 HydrophobicContact CG2-CG1 4.16Å; I60-I72 PolarHBondContact O-N 2.85Å; I60-I102 HydrophobicContact CD1-CB 3.86Å; I60-I102 HydrophobicContact CD1-CD1 4.18Å; I60-I102 HydrophobicContact CD1-CG2 3.5Å; I60-I102 VanDerWaalsContact CD1-CG2 3.5Å; I60-R104 HydrophobicContact CD1-CB 4.41Å; I60-R104 HydrophobicContact CG1-CB 4.37Å; I60-R104 HydrophobicContact CG1-CG 4.31Å
61M95.3Very high92.7Very high130 Ų13076 Ų7664%0.6441%0.414SS*.EExtended strand (participates in β ladder)trans-101.1138.8178.1-169.3173.468.900110.7A59 T69 A70 L71A59-M61 PolarHBondContact O-N 3.16Å; M61-T69 HydrophobicContact CG-CG2 3.31Å; M61-T69 HydrophobicContact SD-CG2 3.48Å; M61-T69 WeakPolarHBondContact SD-CG2 3.18Å; M61-A70 WeakPolarHBondContact CA-O 3.4Å; M61-L71 HydrophobicContact CB-CD2 3.63Å; M61-L71 HydrophobicContact CG-CD2 3.81Å; M61-L71 HydrophobicContact SD-CD2 4.43Å
62F96.9Very high93Very high65 Ų6577 Ų7729%0.28542%0.419SS..EExtended strand (participates in β ladder)trans-147152.9176.165.5-80.6000111.3F42 V64 A70 I72F42-F62 HydrophobicContact CB-CE1 3.93Å; F42-F62 HydrophobicContact CB-CZ 3.93Å; F42-F62 HydrophobicContact CD1-CE1 4.48Å; F42-F62 AromaticContact CD1-CZ 3.84Å; F42-F62 HydrophobicContact CD1-CZ 3.84Å; F42-F62 AromaticContact CD2-CZ 3.99Å; F42-F62 HydrophobicContact CD2-CZ 3.99Å; F42-F62 HydrophobicContact CE1-CZ 4.34Å; F42-F62 HydrophobicContact CE2-CZ 4.47Å; F42-F62 HydrophobicContact CG-CE1 4.18Å; F42-F62 AromaticContact CG-CZ 3.65Å; F42-F62 HydrophobicContact CG-CZ 3.65Å; F62-V64 HydrophobicContact CD2-CG1 4.17Å; F62-V64 HydrophobicContact CE2-CG1 3.7Å; F62-A70 HydrophobicContact CD1-CB 4.34Å; F62-A70 HydrophobicContact CE1-CB 3.77Å; F62-A70 HydrophobicContact CE2-CB 3.98Å; F62-A70 HydrophobicContact CZ-CB 3.57Å; F62-A70 PolarHBondContact N-O 3.11Å; F62-A70 PolarHBondContact O-N 3.12Å; F62-I72 HydrophobicContact CD1-CG1 4.27Å; F62-I72 HydrophobicContact CE1-CG1 3.91Å
63D96.6Very high93.3Very high138 Ų13874.7 Ų74.774%0.73841%0.406SS*.EExtended strand (participates in β ladder)trans-83.6143.3172.458.2-63.3000111.1
64V94.9Very high93.5Very high38 Ų3873.6 Ų73.623%0.2340%0.401CS..  trans-106.8154.4169-68.20000110.3F62 S66 G67 E68 A70F62-V64 HydrophobicContact CD2-CG1 4.17Å; F62-V64 HydrophobicContact CE2-CG1 3.7Å; V64-S66 WeakPolarHBondContact CG2-OG 3.41Å; V64-S66 PolarHBondContact O-N 3.49Å; V64-G67 PolarHBondContact O-N 3.23Å; V64-E68 HydrophobicContact CG2-CB 3.56Å; V64-E68 WeakPolarHBondContact CG2-O 3.48Å; V64-E68 PolarHBondContact N-O 2.83Å; V64-A70 HydrophobicContact CG1-CB 4.48Å
65K96.2Very high93.9Very high222 Ų22271.8 Ų71.897%0.96539%0.388SS*.THydrogen-bonded Turntrans-54.8-24.7-176.7-173.5176.1179.8-179.10114.2G67K65-G67 PolarHBondContact O-N 2.96Å
66S94.8Very high94.4Very high91 Ų9169.6 Ų69.664%0.63637%0.365SS*.THydrogen-bonded Turntrans-70.2-12175.252.90000113.9V64V64-S66 WeakPolarHBondContact CG2-OG 3.41Å; V64-S66 PolarHBondContact O-N 3.49Å
67G94.8Very high94.7Very high70 Ų7061.7 Ų61.772%0.72233%0.329SS*.SBendtrans91.5-0.1-173.500000114V64 K65V64-G67 PolarHBondContact O-N 3.23Å; K65-G67 PolarHBondContact O-N 2.96Å
68E94.5Very high95Very high127 Ų12758.5 Ų58.559%0.59332%0.315SS*.  trans-77.6158.6172.9-60.6177.1157.900111.5V64V64-E68 HydrophobicContact CG2-CB 3.56Å; V64-E68 WeakPolarHBondContact CG2-O 3.48Å; V64-E68 PolarHBondContact N-O 2.83Å
69T96.5Very high95.2Very high62 Ų6253 Ų5338%0.3829%0.294SS..EExtended strand (participates in β ladder)trans-107.8129.5173-56.60000109.4A45 M61A45-T69 HydrophobicContact CB-CG2 3.97Å; A45-T69 WeakPolarHBondContact CB-O 3.44Å; A45-T69 PolarHBondContact N-O 3.45Å; M61-T69 HydrophobicContact CG-CG2 3.31Å; M61-T69 HydrophobicContact SD-CG2 3.48Å; M61-T69 WeakPolarHBondContact SD-CG2 3.18Å
70A96.6Very high95.5Very high6 Ų651.8 Ų51.85%0.0528%0.283CS..EExtended strand (participates in β ladder)trans-117.7153.8178.500000111.7F42 V43 M61 F62 V64F42-A70 HydrophobicContact CB-CB 4.46Å; F42-A70 HydrophobicContact CD2-CB 4.09Å; V43-A70 WeakPolarHBondContact O-CA 3.39Å; M61-A70 WeakPolarHBondContact CA-O 3.4Å; F62-A70 HydrophobicContact CD1-CB 4.34Å; F62-A70 HydrophobicContact CE1-CB 3.77Å; F62-A70 HydrophobicContact CE2-CB 3.98Å; F62-A70 HydrophobicContact CZ-CB 3.57Å; F62-A70 PolarHBondContact N-O 3.11Å; F62-A70 PolarHBondContact O-N 3.12Å; V64-A70 HydrophobicContact CG1-CB 4.48Å
71L95.9Very high95.6Very high26 Ų2649.7 Ų49.714%0.13627%0.273CS..EExtended strand (participates in β ladder)trans-118.5133.7174.9-64.7171.5000109.6F42 V43 A45 Q50 A59 I60 M61F42-L71 CarbonylContact C-O 3.49Å; F42-L71 WeakPolarHBondContact CA-O 3.3Å; F42-L71 WeakPolarHBondContact CB-O 3.47Å; V43-L71 PolarHBondContact N-O 2.8Å; V43-L71 PolarHBondContact O-N 3.01Å; A45-L71 HydrophobicContact CB-CD1 3.96Å; A45-L71 HydrophobicContact CB-CG 3.9Å; Q50-L71 HydrophobicContact CB-CD1 3.96Å; Q50-L71 HydrophobicContact CG-CB 4.41Å; Q50-L71 HydrophobicContact CG-CD1 3.97Å; A59-L71 HydrophobicContact CB-CD2 3.97Å; I60-L71 WeakPolarHBondContact O-CA 3.44Å; M61-L71 HydrophobicContact CB-CD2 3.63Å; M61-L71 HydrophobicContact CG-CD2 3.81Å; M61-L71 HydrophobicContact SD-CD2 4.43Å
72I95.5Very high95.7Very high25 Ų2544.7 Ų44.713%0.12825%0.248CC..EExtended strand (participates in β ladder)trans-70.3130.3167.4-59-175.3000108.6Q50 I60 F62 I102Q50-I72 PolarHBondContact NE2-O 3.27Å; Q50-I72 PolarHBondContact OE1-O 3.46Å; I60-I72 HydrophobicContact CB-CB 4.13Å; I60-I72 HydrophobicContact CB-CD1 3.94Å; I60-I72 HydrophobicContact CB-CG1 4.08Å; I60-I72 HydrophobicContact CD1-CD1 4.18Å; I60-I72 HydrophobicContact CG2-CD1 3.74Å; I60-I72 HydrophobicContact CG2-CG1 4.16Å; I60-I72 PolarHBondContact O-N 2.85Å; F62-I72 HydrophobicContact CD1-CG1 4.27Å; F62-I72 HydrophobicContact CE1-CG1 3.91Å; I72-I102 HydrophobicContact CD1-CD1 4.01Å; I72-I102 HydrophobicContact CG2-CB 4.26Å; I72-I102 HydrophobicContact CG2-CD1 4.33Å; I72-I102 HydrophobicContact CG2-CG1 4.19Å
73N93.7Very high95.8Very high1 Ų141.6 Ų41.61%0.00524%0.235CC..  trans-61.1137.6-178-67-47000111.7P40 L41 F42 V43 Q50 L76 A101P40-N73 PolarHBondContact O-ND2 3.07Å; L41-N73 VanDerWaalsContact C-ND2 3.28Å; L41-N73 PolarHBondContact O-N 3.37Å; L41-N73 VanDerWaalsContact O-N 3.11Å; L41-N73 PolarHBondContact O-ND2 3.06Å; F42-N73 PolarHBondContact N-ND2 2.82Å; V43-N73 WeakPolarHBondContact CG1-OD1 2.99Å; V43-N73 WeakPolarHBondContact CG2-OD1 3.39Å; Q50-N73 VanDerWaalsContact OE1-CA 3.31Å; Q50-N73 PolarHBondContact OE1-OD1 2.85Å; N73-L76 HydrophobicContact CB-CD2 4.18Å; N73-L76 WeakPolarHBondContact ND2-CD2 3.36Å; N73-A101 VanDerWaalsContact O-CA 3.29Å; N73-A101 WeakPolarHBondContact O-CA 3.47Å; N73-A101 WeakPolarHBondContact O-CB 3.36Å
74Q92.5Very high95.9Very high3 Ų335 Ų351%0.01420%0.2CC..SBendtrans-93.6-25.2167.2-74.3179.20.500112.1Q50 D51 L53 A101Q50-Q74 VanDerWaalsContact NE2-N 3.12Å; D51-Q74 PolarHBondContact O-OE1 3.15Å; L53-Q74 HydrophobicContact CD1-CB 4.27Å; L53-Q74 HydrophobicContact CD1-CG 4.43Å; L53-Q74 HydrophobicContact CG-CB 4.34Å; Q74-A101 WeakPolarHBondContact O-CB 3.24Å
75S92.1Very high96Very high6 Ų637.1 Ų37.14%0.04221%0.207CC..  trans-161175162.183.20000108.5D51 A77D51-S75 WeakPolarHBondContact CB-OG 3.39Å; D51-S75 VanDerWaalsContact CG-OG 3.29Å; D51-S75 WeakPolarHBondContact OD2-CB 3.35Å; D51-S75 PolarHBondContact OD2-OG 2.8Å; S75-A77 WeakPolarHBondContact OG-CB 3.08Å; S75-A77 PolarHBondContact OG-N 2.87Å
76L95.7Very high96.1Very high0 Ų033.5 Ų33.50%019%0.191CC..  trans-103.922.7171.9-62172.6000113A39 P40 N73 K78 W79 K80 M99 D120A39-L76 HydrophobicContact CB-CD1 3.48Å; A39-L76 VanDerWaalsContact CB-CD1 3.48Å; P40-L76 HydrophobicContact CG-CD2 3.66Å; N73-L76 HydrophobicContact CB-CD2 4.18Å; N73-L76 WeakPolarHBondContact ND2-CD2 3.36Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 2.64Å; L76-W79 HydrophobicContact CB-CB 4.16Å; L76-W79 HydrophobicContact CB-CE3 4.19Å; L76-W79 HydrophobicContact CD1-CE3 4.12Å; L76-W79 HydrophobicContact CD1-CZ3 4.5Å; L76-W79 HydrophobicContact CD2-CB 3.96Å; L76-W79 HydrophobicContact CD2-CD2 4.37Å; L76-W79 HydrophobicContact CD2-CE3 4.47Å; L76-W79 HydrophobicContact CD2-CG 4.15Å; L76-W79 PolarHBondContact O-N 3.17Å; L76-W79 VanDerWaalsContact O-N 3.11Å; L76-K80 HydrophobicContact CB-CG 4.12Å; L76-K80 WeakPolarHBondContact O-CE 3.23Å; L76-K80 WeakPolarHBondContact O-CG 3.38Å; L76-K80 PolarHBondContact O-N 3.33Å; L76-M99 HydrophobicContact CB-CG 4.36Å; L76-M99 HydrophobicContact CD1-CB 3.98Å; L76-M99 HydrophobicContact CD1-CG 3.6Å; L76-M99 HydrophobicContact CG-CB 4.43Å; L76-M99 HydrophobicContact CG-CG 3.57Å; L76-D120 WeakPolarHBondContact CA-OD2 3.48Å; L76-D120 VanDerWaalsContact CB-OD2 3.27Å; L76-D120 WeakPolarHBondContact CB-OD2 3.36Å; L76-D120 PolarHBondContact N-OD2 3.48Å
77A94.6Very high96.2Very high7 Ų734 Ų346%0.05818%0.18CC..Hα-helixtrans-47.6-49.5-174.700000113.2S75 Y221S75-A77 WeakPolarHBondContact OG-CB 3.08Å; S75-A77 PolarHBondContact OG-N 2.87Å; A77-Y221 HydrophobicContact CB-CD1 3.76Å; A77-Y221 HydrophobicContact CB-CD2 4.08Å; A77-Y221 HydrophobicContact CB-CE1 4.06Å; A77-Y221 HydrophobicContact CB-CE2 4.45Å; A77-Y221 HydrophobicContact CB-CG 3.76Å
78K97Very high96.3Very high1 Ų139.3 Ų39.30%0.00418%0.183CC..Hα-helixtrans-81.9-35.5178.9-66.1-175.5-80.8-171.90113G48 Q50 D52 L76 K80 R81 M82 D220 Y272G48-K78 WeakPolarHBondContact O-CD 3.43Å; G48-K78 WeakPolarHBondContact O-CE 3.24Å; G48-K78 PolarHBondContact O-NZ 2.61Å; Q50-K78 WeakPolarHBondContact O-CE 3.49Å; Q50-K78 PolarHBondContact O-NZ 3.49Å; D52-K78 IonicContact OD2-NZ 2.96Å; D52-K78 PolarHBondContact OD2-NZ 2.8Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 2.64Å; K78-K80 PolarHBondContact O-N 3.28Å; K78-R81 PolarHBondContact O-N 3.44Å; K78-M82 PolarHBondContact O-N 2.98Å; K78-D220 IonicContact NZ-OD2 3.53Å; K78-D220 PolarHBondContact NZ-OD2 2.92Å; K78-Y272 HydrophobicContact CB-CD1 4.26Å; K78-Y272 HydrophobicContact CB-CD2 3.86Å; K78-Y272 HydrophobicContact CB-CE1 4.01Å; K78-Y272 HydrophobicContact CB-CE2 3.61Å; K78-Y272 HydrophobicContact CB-CG 4.2Å; K78-Y272 HydrophobicContact CD-CD1 3.61Å; K78-Y272 HydrophobicContact CD-CE1 3.52Å; K78-Y272 HydrophobicContact CD-CG 4.23Å; K78-Y272 HydrophobicContact CG-CD1 4.06Å; K78-Y272 HydrophobicContact CG-CD2 4.5Å; K78-Y272 HydrophobicContact CG-CE1 3.58Å; K78-Y272 HydrophobicContact CG-CE2 4.09Å; K78-Y272 HydrophobicContact CG-CG 4.49Å; K78-Y272 VanDerWaalsContact O-CE2 3.24Å; K78-Y272 WeakPolarHBondContact O-CE2 3.47Å
79W97.7Very high96.5Very high21 Ų2135 Ų358%0.0816%0.164CC..Hα-helixtrans-60.1-41.8-179.6176.789.7000112.7V37 S38 P40 L76 R81 M82 A83 I95 T97V37-W79 HydrophobicContact CG2-CH2 4.01Å; V37-W79 HydrophobicContact CG2-CZ3 4.32Å; S38-W79 WeakPolarHBondContact O-CH2 3.36Å; P40-W79 VanDerWaalsContact CD-CE2 3.44Å; P40-W79 HydrophobicContact CG-CD2 3.96Å; P40-W79 HydrophobicContact CG-CG 3.96Å; P40-W79 HydrophobicContact CG-CZ2 4.34Å; L76-W79 HydrophobicContact CB-CB 4.16Å; L76-W79 HydrophobicContact CB-CE3 4.19Å; L76-W79 HydrophobicContact CD1-CE3 4.12Å; L76-W79 HydrophobicContact CD1-CZ3 4.5Å; L76-W79 HydrophobicContact CD2-CB 3.96Å; L76-W79 HydrophobicContact CD2-CD2 4.37Å; L76-W79 HydrophobicContact CD2-CE3 4.47Å; L76-W79 HydrophobicContact CD2-CG 4.15Å; L76-W79 PolarHBondContact O-N 3.17Å; L76-W79 VanDerWaalsContact O-N 3.11Å; W79-R81 VanDerWaalsContact C-N 3.34Å; W79-R81 PolarHBondContact O-N 3.42Å; W79-M82 HydrophobicContact CG-CE 4.09Å; W79-M82 PolarHBondContact O-N 3.24Å; W79-A83 HydrophobicContact CD2-CB 4.24Å; W79-A83 HydrophobicContact CE3-CB 4.18Å; W79-A83 HydrophobicContact CH2-CB 3.83Å; W79-A83 HydrophobicContact CZ2-CB 3.87Å; W79-A83 HydrophobicContact CZ3-CB 3.97Å; W79-A83 WeakPolarHBondContact O-CB 3.48Å; W79-A83 PolarHBondContact O-N 2.98Å; W79-I95 HydrophobicContact CZ3-CD1 4.15Å; W79-T97 HydrophobicContact CH2-CG2 4.31Å; W79-T97 HydrophobicContact CZ3-CG2 3.76Å
80K98Very high96.5Very high1 Ų137.4 Ų37.40%0.00417%0.174CC..Hα-helixtrans-61.6-41.8-175.6-66.4173.5-60.5-179.80112.4L76 K78 A83 L84 I95 D120 W121 E122 G287L76-K80 HydrophobicContact CB-CG 4.12Å; L76-K80 WeakPolarHBondContact O-CE 3.23Å; L76-K80 WeakPolarHBondContact O-CG 3.38Å; L76-K80 PolarHBondContact O-N 3.33Å; K78-K80 PolarHBondContact O-N 3.28Å; K80-A83 WeakPolarHBondContact O-CB 3.42Å; K80-A83 PolarHBondContact O-N 2.91Å; K80-L84 WeakPolarHBondContact O-CG 3.08Å; K80-L84 PolarHBondContact O-N 2.69Å; K80-I95 HydrophobicContact CB-CD1 4.11Å; K80-I95 HydrophobicContact CG-CD1 4.41Å; K80-D120 VanDerWaalsContact CD-C 3.42Å; K80-D120 HydrophobicContact CD-CB 3.95Å; K80-D120 WeakPolarHBondContact CE-OD1 3.27Å; K80-D120 IonicContact NZ-OD1 3.88Å; K80-D120 PolarHBondContact NZ-OD1 3.04Å; K80-W121 WeakPolarHBondContact CE-O 3.29Å; K80-W121 PolarHBondContact NZ-O 3.27Å; K80-E122 HydrophobicContact CB-CB 3.61Å; K80-E122 HydrophobicContact CB-CG 3.97Å; K80-E122 HydrophobicContact CD-CB 4.22Å; K80-E122 VanDerWaalsContact CE-OE2 3.23Å; K80-E122 WeakPolarHBondContact CE-OE2 3.33Å; K80-E122 HydrophobicContact CG-CB 4.45Å; K80-E122 IonicContact NZ-OE2 2.89Å; K80-E122 PolarHBondContact NZ-OE2 3.08Å; K80-G287 PolarHBondContact NZ-O 3.06Å
81R98.2Very high96.5Very high3 Ų340.9 Ų40.91%0.01119%0.189CC..Hα-helixtrans-65-41.6178-173.2174.7-174.7179.14.1112.3K78 W79 A83 L84 H85 V250 P282 T284K78-R81 PolarHBondContact O-N 3.44Å; W79-R81 VanDerWaalsContact C-N 3.34Å; W79-R81 PolarHBondContact O-N 3.42Å; R81-A83 VanDerWaalsContact C-N 3.34Å; R81-L84 PolarHBondContact O-N 2.78Å; R81-H85 PolarHBondContact O-N 2.82Å; R81-V250 PolarHBondContact NH1-O 2.82Å; R81-V250 PolarHBondContact NH2-O 3.19Å; R81-P282 VanDerWaalsContact CZ-O 3.24Å; R81-P282 PolarHBondContact NE-O 3.18Å; R81-P282 PolarHBondContact NH2-O 2.9Å; R81-T284 HydrophobicContact CG-CG2 4.01Å
82M97.5Very high96.5Very high25 Ų2544.5 Ų44.512%0.12320%0.202CC..Hα-helixtrans-62.3-42.1171.7175.3-79.7-59.100111.3L49 K78 W79 L84 H85 K86 Y281L49-M82 HydrophobicContact CD1-CE 3.92Å; L49-M82 HydrophobicContact CD2-CB 4.08Å; L49-M82 HydrophobicContact CD2-CE 4.42Å; L49-M82 HydrophobicContact CD2-CG 4.39Å; K78-M82 PolarHBondContact O-N 2.98Å; W79-M82 HydrophobicContact CG-CE 4.09Å; W79-M82 PolarHBondContact O-N 3.24Å; M82-L84 PolarHBondContact O-N 3.02Å; M82-H85 WeakPolarHBondContact O-CB 3.19Å; M82-H85 PolarHBondContact O-N 2.68Å; M82-K86 WeakPolarHBondContact O-CB 3.2Å; M82-K86 PolarHBondContact O-N 3.49Å; M82-K86 HydrophobicContact SD-CB 4.09Å; M82-K86 HydrophobicContact SD-CD 3.95Å; M82-Y281 HydrophobicContact CB-CE1 4.25Å; M82-Y281 HydrophobicContact CB-CE2 4.02Å; M82-Y281 HydrophobicContact CG-CE1 4.13Å; M82-Y281 HydrophobicContact CG-CE2 4.45Å; M82-Y281 WeakPolarHBondContact CG-OH 3.23Å
83A97.9Very high96.6Very high1 Ų145.2 Ų45.21%0.00821%0.206CC..Hα-helixtrans-62.3-42.7179.700000112W79 K80 R81 H85 K86 Y87 I95W79-A83 HydrophobicContact CD2-CB 4.24Å; W79-A83 HydrophobicContact CE3-CB 4.18Å; W79-A83 HydrophobicContact CH2-CB 3.83Å; W79-A83 HydrophobicContact CZ2-CB 3.87Å; W79-A83 HydrophobicContact CZ3-CB 3.97Å; W79-A83 WeakPolarHBondContact O-CB 3.48Å; W79-A83 PolarHBondContact O-N 2.98Å; K80-A83 WeakPolarHBondContact O-CB 3.42Å; K80-A83 PolarHBondContact O-N 2.91Å; R81-A83 VanDerWaalsContact C-N 3.34Å; A83-H85 VanDerWaalsContact C-N 3.32Å; A83-H85 PolarHBondContact O-N 2.77Å; A83-K86 PolarHBondContact O-N 3.49Å; A83-Y87 HydrophobicContact CB-CD2 4.28Å; A83-Y87 HydrophobicContact CB-CE2 3.87Å; A83-Y87 WeakPolarHBondContact O-CB 3.01Å; A83-Y87 VanDerWaalsContact O-CD2 3.29Å; A83-Y87 WeakPolarHBondContact O-CD2 3.47Å; A83-Y87 PolarHBondContact O-N 3.23Å; A83-I95 HydrophobicContact CB-CD1 3.85Å
84L98.3Very high96.9Very high0 Ų045.2 Ų45.20%021%0.206CC..Hα-helixtrans-54.3-47.2173.9-72.1173.7000112K80 R81 M82 K88 L89 I95 E122 I124 P282 T284K80-L84 WeakPolarHBondContact O-CG 3.08Å; K80-L84 PolarHBondContact O-N 2.69Å; R81-L84 PolarHBondContact O-N 2.78Å; M82-L84 PolarHBondContact O-N 3.02Å; L84-K88 PolarHBondContact O-N 2.8Å; L84-L89 HydrophobicContact CD2-CB 4.42Å; L84-L89 HydrophobicContact CD2-CD1 3.64Å; L84-L89 HydrophobicContact CD2-CG 4.32Å; L84-L89 PolarHBondContact O-N 3.39Å; L84-I95 HydrophobicContact CD2-CB 4.38Å; L84-I95 HydrophobicContact CD2-CD1 4.35Å; L84-I95 HydrophobicContact CD2-CG1 3.91Å; L84-I95 HydrophobicContact CD2-CG2 3.91Å; L84-I95 HydrophobicContact CG-CD1 4.31Å; L84-I95 HydrophobicContact CG-CG1 4.23Å; L84-E122 HydrophobicContact CD1-CB 3.81Å; L84-E122 HydrophobicContact CD1-CG 3.49Å; L84-E122 VanDerWaalsContact CD1-CG 3.49Å; L84-I124 HydrophobicContact CB-CD1 4.26Å; L84-I124 HydrophobicContact CB-CG1 4.27Å; L84-I124 HydrophobicContact CD1-CG1 3.95Å; L84-I124 HydrophobicContact CD2-CG1 4.35Å; L84-I124 HydrophobicContact CG-CG1 4.43Å; L84-P282 HydrophobicContact CB-CG 4.35Å; L84-T284 HydrophobicContact CD1-CG2 3.58Å
85H98Very high97.2Very high82 Ų8245.1 Ų45.138%0.3821%0.206SC..Hα-helixtrans-63.3-51.4175.3178.485000111.8R81 M82 A83 Y87 K88 I280 Y281R81-H85 PolarHBondContact O-N 2.82Å; M82-H85 WeakPolarHBondContact O-CB 3.19Å; M82-H85 PolarHBondContact O-N 2.68Å; A83-H85 VanDerWaalsContact C-N 3.32Å; A83-H85 PolarHBondContact O-N 2.77Å; H85-Y87 VanDerWaalsContact C-N 3.27Å; H85-Y87 PolarHBondContact O-N 3.1Å; H85-K88 PolarHBondContact O-N 3.03Å; H85-I280 PolarHBondContact CE1-O 3.12Å; H85-I280 VanDerWaalsContact CE1-O 3.31Å; H85-I280 PolarHBondContact ND1-O 2.64Å; H85-Y281 HydrophobicContact CB-CD1 3.71Å; H85-Y281 HydrophobicContact CB-CE1 4.17Å; H85-Y281 AromaticContact CG-CD1 3.75Å
86K97.4Very high97.5Very high145 Ų14545.4 Ų45.463%0.6321%0.206SC*.Hα-helixtrans-60.4-36.5-176.3-176172.8-177.31720112.5M82 A83 K88M82-K86 WeakPolarHBondContact O-CB 3.2Å; M82-K86 PolarHBondContact O-N 3.49Å; M82-K86 HydrophobicContact SD-CB 4.09Å; M82-K86 HydrophobicContact SD-CD 3.95Å; A83-K86 PolarHBondContact O-N 3.49Å; K86-K88 VanDerWaalsContact C-N 3.28Å
87Y97.7Very high97.6Very high103 Ų10345.4 Ų45.440%0.40421%0.206SC..THydrogen-bonded Turntrans-83.8-3.9178-58-23000113.4V37 A83 H85 L89V37-Y87 HydrophobicContact CB-CE2 4.28Å; V37-Y87 HydrophobicContact CG1-CE2 4.23Å; V37-Y87 HydrophobicContact CG2-CE2 4.39Å; A83-Y87 HydrophobicContact CB-CD2 4.28Å; A83-Y87 HydrophobicContact CB-CE2 3.87Å; A83-Y87 WeakPolarHBondContact O-CB 3.01Å; A83-Y87 VanDerWaalsContact O-CD2 3.29Å; A83-Y87 WeakPolarHBondContact O-CD2 3.47Å; A83-Y87 PolarHBondContact O-N 3.23Å; H85-Y87 VanDerWaalsContact C-N 3.27Å; H85-Y87 PolarHBondContact O-N 3.1Å; Y87-L89 VanDerWaalsContact C-N 3.27Å; Y87-L89 PolarHBondContact O-N 3.06Å
88K97.5Very high97.7Very high180 Ų18047.1 Ų47.178%0.78321%0.214SC*.THydrogen-bonded Turntrans54.143.8179.2-54-179.2-179.6-177.70112L84 H85 K86L84-K88 PolarHBondContact O-N 2.8Å; H85-K88 PolarHBondContact O-N 3.03Å; K86-K88 VanDerWaalsContact C-N 3.28Å
89L97.3Very high97.7Very high38 Ų3847.1 Ų47.120%0.19921%0.214CC..PPolyproline II helixtrans-68.2153175.9-62.7-160.5000110.9L84 Y87 D93 I95 I124L84-L89 HydrophobicContact CD2-CB 4.42Å; L84-L89 HydrophobicContact CD2-CD1 3.64Å; L84-L89 HydrophobicContact CD2-CG 4.32Å; L84-L89 PolarHBondContact O-N 3.39Å; Y87-L89 VanDerWaalsContact C-N 3.27Å; Y87-L89 PolarHBondContact O-N 3.06Å; L89-D93 HydrophobicContact CB-CB 4.06Å; L89-D93 HydrophobicContact CD1-CB 4.36Å; L89-I95 HydrophobicContact CD1-CG2 3.56Å; L89-I124 HydrophobicContact CB-CD1 4.18Å; L89-I124 WeakPolarHBondContact O-CD1 3.5Å
90N96.8Very high97.6Very high112 Ų11249.1 Ų49.160%0.59923%0.227SC*.PPolyproline II helixtrans-80.3166.9-177.1-50.9-73000111.3Y92 D93N90-Y92 PolarHBondContact O-N 3.37Å; N90-D93 VanDerWaalsContact CB-OD2 3.28Å; N90-D93 WeakPolarHBondContact CB-OD2 3.33Å; N90-D93 PolarHBondContact N-OD2 3.41Å; N90-D93 PolarHBondContact ND2-OD2 3.33Å; N90-D93 WeakPolarHBondContact O-CB 3.08Å; N90-D93 PolarHBondContact O-N 3.11Å
91Q96.3Very high97.5Very high78 Ų7849.1 Ų49.136%0.36423%0.226SC..THydrogen-bonded Turntrans-49.9133.6168.6-169.463.345.800110.5D93 I124 I125 Q126Q91-D93 PolarHBondContact O-N 3.02Å; Q91-I124 PolarHBondContact NE2-O 3.44Å; Q91-I125 PolarHBondContact NE2-O 3.47Å; Q91-I125 VanDerWaalsContact NE2-O 3.12Å; Q91-Q126 HydrophobicContact CG-CG 4.23Å
92Y97.3Very high97.4Very high102 Ų10252.1 Ų52.140%0.424%0.242SC..THydrogen-bonded Turntrans69.1-2-177.9-44-61.1000116.9N33 N90 I124 Q126 E129N33-Y92 PolarHBondContact ND2-O 3.45Å; N90-Y92 PolarHBondContact O-N 3.37Å; Y92-I124 VanDerWaalsContact CA-O 3.29Å; Y92-I124 WeakPolarHBondContact CA-O 3.27Å; Y92-I124 PolarHBondContact N-O 3.2Å; Y92-I124 VanDerWaalsContact N-O 3.13Å; Y92-Q126 HydrophobicContact CE1-CG 4.29Å; Y92-Q126 PolarHBondContact OH-NE2 3.25Å; Y92-E129 VanDerWaalsContact CE1-OE2 3.32Å; Y92-E129 WeakPolarHBondContact CE1-OE2 3.49Å
93D97.7Very high97.3Very high41 Ų4153.2 Ų53.222%0.21925%0.245CC..  trans-77.2149.6165.7-68.1-27.6000109.6N33 L89 N90 Q91 I124N33-D93 PolarHBondContact ND2-OD1 3.19Å; L89-D93 HydrophobicContact CB-CB 4.06Å; L89-D93 HydrophobicContact CD1-CB 4.36Å; N90-D93 VanDerWaalsContact CB-OD2 3.28Å; N90-D93 WeakPolarHBondContact CB-OD2 3.33Å; N90-D93 PolarHBondContact N-OD2 3.41Å; N90-D93 PolarHBondContact ND2-OD2 3.33Å; N90-D93 WeakPolarHBondContact O-CB 3.08Å; N90-D93 PolarHBondContact O-N 3.11Å; Q91-D93 PolarHBondContact O-N 3.02Å; D93-I124 PolarHBondContact O-N 2.84Å; D93-I124 VanDerWaalsContact O-N 3.07Å
94G98.6Very high97.1Very high1 Ų158.6 Ų58.61%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-137.2176.117500000113.4N33 L34 L35 E122N33-G94 PolarHBondContact O-N 3.23Å; N33-G94 VanDerWaalsContact O-N 3.11Å; L34-G94 WeakPolarHBondContact CA-O 3.44Å; L35-G94 PolarHBondContact N-O 3.37Å; G94-E122 CarbonylContact C-O 3.43Å; G94-E122 WeakPolarHBondContact CA-O 3.29Å
95I98.7Very high96.9Very high0 Ų061.4 Ų61.40%028%0.28CS..EExtended strand (participates in β ladder)trans-127156.8173.759.8173.8000110.6L35 V37 W79 K80 A83 L84 L89 W121 E122L35-I95 HydrophobicContact CB-CG2 4.49Å; L35-I95 CarbonylContact O-C 3.54Å; L35-I95 WeakPolarHBondContact O-CA 3.43Å; V37-I95 HydrophobicContact CG1-CB 4.28Å; V37-I95 HydrophobicContact CG1-CG2 3.75Å; V37-I95 HydrophobicContact CG2-CB 3.82Å; V37-I95 HydrophobicContact CG2-CD1 3.9Å; V37-I95 HydrophobicContact CG2-CG1 4.38Å; V37-I95 HydrophobicContact CG2-CG2 4.06Å; W79-I95 HydrophobicContact CZ3-CD1 4.15Å; K80-I95 HydrophobicContact CB-CD1 4.11Å; K80-I95 HydrophobicContact CG-CD1 4.41Å; A83-I95 HydrophobicContact CB-CD1 3.85Å; L84-I95 HydrophobicContact CD2-CB 4.38Å; L84-I95 HydrophobicContact CD2-CD1 4.35Å; L84-I95 HydrophobicContact CD2-CG1 3.91Å; L84-I95 HydrophobicContact CD2-CG2 3.91Å; L84-I95 HydrophobicContact CG-CD1 4.31Å; L84-I95 HydrophobicContact CG-CG1 4.23Å; L89-I95 HydrophobicContact CD1-CG2 3.56Å; I95-W121 CarbonylContact O-C 3.45Å; I95-W121 VanDerWaalsContact O-CA 3.23Å; I95-W121 WeakPolarHBondContact O-CA 3.49Å; I95-E122 HydrophobicContact CG1-CB 4.32Å; I95-E122 PolarHBondContact N-O 3.08Å; I95-E122 PolarHBondContact O-N 3.39Å
96Y98.6Very high96.7Very high12 Ų1259.7 Ų59.75%0.04727%0.272CS..EExtended strand (participates in β ladder)trans-138.4155.5160.481.7-76.7000111.9Q25 L34 L35 R36 V37 D120Q25-Y96 HydrophobicContact CB-CE2 3.97Å; L34-Y96 HydrophobicContact CB-CD1 3.73Å; L34-Y96 HydrophobicContact CB-CG 4.44Å; L34-Y96 HydrophobicContact CD1-CD1 4.49Å; L35-Y96 PolarHBondContact O-N 3.22Å; R36-Y96 WeakPolarHBondContact CA-O 3.19Å; R36-Y96 HydrophobicContact CB-CD1 4.23Å; R36-Y96 HydrophobicContact CB-CE1 3.54Å; R36-Y96 HydrophobicContact CG-CE1 4.29Å; R36-Y96 HydrophobicContact CG-CE2 4.41Å; R36-Y96 PolarHBondContact NH1-O 3.19Å; V37-Y96 PolarHBondContact N-O 3.42Å; Y96-D120 CarbonylContact C-O 3.53Å; Y96-D120 WeakPolarHBondContact CA-O 3.34Å
97T98.2Very high96.6Very high0 Ų058.4 Ų58.40%028%0.276CS..EExtended strand (participates in β ladder)trans-133.9151178.479.30000113.1R36 V37 A39 W79 M99 W119 D120R36-T97 VanDerWaalsContact NH1-CA 3.29Å; V37-T97 HydrophobicContact CG2-CG2 3.65Å; V37-T97 VanDerWaalsContact O-CG2 3.24Å; V37-T97 WeakPolarHBondContact O-CG2 3.24Å; A39-T97 HydrophobicContact CB-CG2 4.14Å; W79-T97 HydrophobicContact CH2-CG2 4.31Å; W79-T97 HydrophobicContact CZ3-CG2 3.76Å; T97-M99 PolarHBondContact O-N 2.72Å; T97-W119 CarbonylContact O-C 3.5Å; T97-W119 WeakPolarHBondContact O-CA 3.49Å; T97-D120 PolarHBondContact N-O 3.06Å; T97-D120 PolarHBondContact O-N 2.83Å
98D97.1Very high96.5Very high43 Ų4354.6 Ų54.623%0.2326%0.264CS..EExtended strand (participates in β ladder)trans-85.992.3161.8-52.4-52.5000106.6R36 N100 W119 Q291R36-D98 IonicContact CZ-OD2 3.8Å; R36-D98 IonicContact NE-OD1 3.18Å; R36-D98 IonicContact NE-OD2 3.72Å; R36-D98 PolarHBondContact NE-OD2 2.82Å; R36-D98 IonicContact NH2-OD2 2.8Å; R36-D98 PolarHBondContact NH2-OD2 3.17Å; D98-N100 PolarHBondContact O-ND2 3.3Å; D98-W119 PolarHBondContact OD1-NE1 3.35Å; D98-Q291 PolarHBondContact OD1-NE2 3.26Å
99M96.7Very high96.5Very high1 Ų147.7 Ų47.71%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-82.4140-178.9-174.2-79.6-68.800109.6L76 T97 A101 V116 D117 Q118 D120L76-M99 HydrophobicContact CB-CG 4.36Å; L76-M99 HydrophobicContact CD1-CB 3.98Å; L76-M99 HydrophobicContact CD1-CG 3.6Å; L76-M99 HydrophobicContact CG-CB 4.43Å; L76-M99 HydrophobicContact CG-CG 3.57Å; T97-M99 PolarHBondContact O-N 2.72Å; M99-A101 HydrophobicContact CE-CB 4.14Å; M99-A101 HydrophobicContact SD-CB 3.45Å; M99-A101 WeakPolarHBondContact SD-CB 3.42Å; M99-V116 HydrophobicContact CE-CG1 4.44Å; M99-D117 VanDerWaalsContact O-CA 3.31Å; M99-D117 WeakPolarHBondContact O-CA 3.49Å; M99-Q118 HydrophobicContact CB-CB 4.48Å; M99-Q118 HydrophobicContact CE-CB 3.74Å; M99-Q118 VanDerWaalsContact CE-CD 3.45Å; M99-Q118 HydrophobicContact CE-CG 3.6Å; M99-Q118 PolarHBondContact N-O 2.7Å; M99-Q118 PolarHBondContact O-N 2.66Å; M99-D120 HydrophobicContact CB-CB 3.69Å; M99-D120 HydrophobicContact CG-CB 4.34Å
100N96.5Very high96.4Very high64 Ų6448.6 Ų48.634%0.34225%0.246SC..EExtended strand (participates in β ladder)trans-127.2128.4172.3-63.7-84.8000108L41 D98 Y115 V116L41-N100 HydrophobicContact CD1-CB 4.47Å; D98-N100 PolarHBondContact O-ND2 3.3Å; N100-Y115 HydrophobicContact CB-CE2 3.99Å; N100-Y115 VanDerWaalsContact OD1-CE2 3.29Å; N100-Y115 WeakPolarHBondContact OD1-CE2 3.33Å; N100-Y115 PolarHBondContact OD1-OH 3.23Å; N100-V116 WeakPolarHBondContact CA-O 3.5Å
101A95.4Very high96.4Very high0 Ų044.6 Ų44.60%022%0.224CC..EExtended strand (participates in β ladder)trans-133157.8-177.800000111.1N73 Q74 M99 V116N73-A101 VanDerWaalsContact O-CA 3.29Å; N73-A101 WeakPolarHBondContact O-CA 3.47Å; N73-A101 WeakPolarHBondContact O-CB 3.36Å; Q74-A101 WeakPolarHBondContact O-CB 3.24Å; M99-A101 HydrophobicContact CE-CB 4.14Å; M99-A101 HydrophobicContact SD-CB 3.45Å; M99-A101 WeakPolarHBondContact SD-CB 3.42Å; A101-V116 HydrophobicContact CB-CB 4.22Å; A101-V116 PolarHBondContact N-O 2.74Å; A101-V116 PolarHBondContact O-N 3.3Å
102I95Very high96.5Very high66 Ų6643.6 Ų43.634%0.33822%0.22SC..EExtended strand (participates in β ladder)trans-119.4113.9172.1-53.6177.1000108.8I60 I72 Y114I60-I102 HydrophobicContact CD1-CB 3.86Å; I60-I102 HydrophobicContact CD1-CD1 4.18Å; I60-I102 HydrophobicContact CD1-CG2 3.5Å; I60-I102 VanDerWaalsContact CD1-CG2 3.5Å; I72-I102 HydrophobicContact CD1-CD1 4.01Å; I72-I102 HydrophobicContact CG2-CB 4.26Å; I72-I102 HydrophobicContact CG2-CD1 4.33Å; I72-I102 HydrophobicContact CG2-CG1 4.19Å; I102-Y114 CarbonylContact C-O 3.49Å; I102-Y114 WeakPolarHBondContact CA-O 3.35Å
103R95.4Very high96.5Very high48 Ų4839 Ų3918%0.18120%0.202CC..  trans-101.482.6174-64.5-168.9-177.1-179.9-6.2109.5D105 E106 Y114 V116R103-D105 PolarHBondContact O-N 3.35Å; R103-E106 HydrophobicContact CB-CB 4.12Å; R103-E106 WeakPolarHBondContact O-CB 3.26Å; R103-E106 PolarHBondContact O-N 3.19Å; R103-Y114 PolarHBondContact N-O 2.81Å; R103-Y114 WeakPolarHBondContact O-CD1 3.18Å; R103-V116 HydrophobicContact CB-CG2 4.41Å; R103-V116 HydrophobicContact CG-CG2 3.87Å
104R94.4Very high96.4Very high114 Ų11439.7 Ų39.743%0.4320%0.202SC..THydrogen-bonded Turntrans-62.9-23.9-172.461.2169-68.4171.87.2115.3R58 I60R58-R104 VanDerWaalsContact O-CD 3.22Å; R58-R104 WeakPolarHBondContact O-CD 3.45Å; R58-R104 WeakPolarHBondContact O-CG 3.38Å; I60-R104 HydrophobicContact CD1-CB 4.41Å; I60-R104 HydrophobicContact CG1-CB 4.37Å; I60-R104 HydrophobicContact CG1-CG 4.31Å
105D94.7Very high96.4Very high59 Ų5942.8 Ų42.832%0.31621%0.214SC..THydrogen-bonded Turntrans-100.210.8-176.7-67-23.7000111.8R58 R103R58-D105 VanDerWaalsContact CB-OD2 3.24Å; R58-D105 WeakPolarHBondContact CB-OD2 3.31Å; R58-D105 WeakPolarHBondContact CG-OD2 3.22Å; R58-D105 IonicContact CZ-OD1 2.83Å; R58-D105 IonicContact CZ-OD2 2.64Å; R58-D105 PolarHBondContact N-OD2 3.24Å; R58-D105 IonicContact NE-OD1 3.07Å; R58-D105 PolarHBondContact NE-OD1 3.28Å; R58-D105 IonicContact NE-OD2 2.94Å; R58-D105 PolarHBondContact NE-OD2 3.49Å; R58-D105 IonicContact NH2-OD1 3.97Å; R58-D105 PolarHBondContact NH2-OD1 2.96Å; R58-D105 IonicContact NH2-OD2 2.61Å; R103-D105 PolarHBondContact O-N 3.35Å
106E94.1Very high96.3Very high47 Ų4743.8 Ų43.822%0.2222%0.22CC..  trans-64.3137.7179.5-171.263.6-88.800112.4R103 V108 H112 Y114R103-E106 HydrophobicContact CB-CB 4.12Å; R103-E106 WeakPolarHBondContact O-CB 3.26Å; R103-E106 PolarHBondContact O-N 3.19Å; E106-V108 PolarHBondContact O-N 3.02Å; E106-H112 HydrophobicContact CG-CB 3.96Å; E106-Y114 HydrophobicContact CB-CD1 4.18Å; E106-Y114 WeakPolarHBondContact O-CE1 3.36Å
107V94.6Very high96.3Very high117 Ų11743.5 Ų43.571%0.70922%0.219SC*.  trans-84.798.2169.8-178.80000107.9H112V107-H112 WeakPolarHBondContact O-CB 3.42Å
108V96.5Very high96.3Very high24 Ų2444.9 Ų44.915%0.14523%0.226CC..  trans-59.7140-177.3-65.90000112.3E106 H112 Y114 W312 P313E106-V108 PolarHBondContact O-N 3.02Å; V108-H112 WeakPolarHBondContact CA-O 3.4Å; V108-Y114 HydrophobicContact CG1-CD1 4.27Å; V108-Y114 HydrophobicContact CG1-CD2 3.78Å; V108-Y114 HydrophobicContact CG1-CE1 3.93Å; V108-Y114 HydrophobicContact CG1-CE2 3.43Å; V108-Y114 VanDerWaalsContact CG1-CE2 3.43Å; V108-Y114 HydrophobicContact CG1-CG 4.21Å; V108-W312 HydrophobicContact CB-CE3 4.29Å; V108-W312 HydrophobicContact CB-CZ3 4.09Å; V108-W312 HydrophobicContact CG1-CE3 4.46Å; V108-W312 HydrophobicContact CG1-CZ3 4.26Å; V108-P313 HydrophobicContact CG2-CG 3.72Å
109S95.9Very high96.3Very high34 Ų3442.8 Ų42.824%0.23822%0.215CC..BIsolated β-bridgetrans-156.8178.3179.872.80000108.8L111 H112S109-L111 PolarHBondContact O-N 3.36Å; S109-L111 PolarHBondContact OG-N 2.7Å; S109-H112 PolarHBondContact N-O 3.36Å; S109-H112 VanDerWaalsContact N-O 3.07Å; S109-H112 PolarHBondContact O-N 3.12Å; S109-H112 WeakPolarHBondContact OG-CB 3.46Å; S109-H112 PolarHBondContact OG-N 2.96Å; S109-H112 PolarHBondContact OG-ND1 2.83Å
110P96.6Very high96.4Very high57 Ų5742.9 Ų42.937%0.3722%0.215SC..THydrogen-bonded Turntrans-55.9-17.5173.5-27.937.2000115.4K302 H303 I304P110-K302 WeakPolarHBondContact CB-O 3.47Å; P110-H303 VanDerWaalsContact CA-CD2 3.48Å; P110-H303 WeakPolarHBondContact CA-CD2 3.44Å; P110-I304 WeakPolarHBondContact O-CB 3.45Å; P110-I304 PolarHBondContact O-N 3.35Å
111L97.1Very high96.5Very high28 Ų2839.9 Ų39.915%0.14720%0.199CC..THydrogen-bonded Turntrans-111-9.3177.6-59.4-177.2000114.4S109 I241 R293 M296S109-L111 PolarHBondContact O-N 3.36Å; S109-L111 PolarHBondContact OG-N 2.7Å; L111-I241 HydrophobicContact CD1-CG1 4.46Å; L111-I241 HydrophobicContact CD2-CD1 4.29Å; L111-I241 HydrophobicContact CD2-CG1 4.1Å; L111-I241 HydrophobicContact CD2-CG2 4.33Å; L111-R293 PolarHBondContact O-NE 3.2Å; L111-M296 HydrophobicContact CD2-CE 3.15Å; L111-M296 HydrophobicContact CD2-SD 3.97Å
112H97.1Very high96.7Very high58 Ų5839.9 Ų39.927%0.26920%0.199SC..BIsolated β-bridgetrans-127.1130.2-168.4-62.798.6000110.9E106 V107 V108 S109 R293 W312E106-H112 HydrophobicContact CG-CB 3.96Å; V107-H112 WeakPolarHBondContact O-CB 3.42Å; V108-H112 WeakPolarHBondContact CA-O 3.4Å; S109-H112 PolarHBondContact N-O 3.36Å; S109-H112 VanDerWaalsContact N-O 3.07Å; S109-H112 PolarHBondContact O-N 3.12Å; S109-H112 WeakPolarHBondContact OG-CB 3.46Å; S109-H112 PolarHBondContact OG-N 2.96Å; S109-H112 PolarHBondContact OG-ND1 2.83Å; H112-R293 PolarHBondContact CD2-NH2 3.41Å; H112-R293 VanDerWaalsContact CD2-NH2 3.34Å; H112-R293 PolarHBondContact NE2-NH2 2.85Å; H112-W312 WeakPolarHBondContact O-CZ3 3.37Å
113S97.6Very high96.8Very high4 Ų437.4 Ų37.43%0.02819%0.187CC..  trans-135.9148.4-175.21770000109Y115 Q308 S310S113-Y115 WeakPolarHBondContact CB-O 3.03Å; S113-Y115 PolarHBondContact O-N 3.49Å; S113-Y115 PolarHBondContact OG-N 2.74Å; S113-Y115 PolarHBondContact OG-O 2.88Å; S113-Q308 PolarHBondContact OG-OE1 2.63Å; S113-S310 VanDerWaalsContact OG-CB 3.25Å; S113-S310 WeakPolarHBondContact OG-CB 3.41Å; S113-S310 PolarHBondContact OG-OG 2.89Å
114Y96.5Very high97Very high56 Ų5635.6 Ų35.622%0.2218%0.18CC..SBendtrans-60.9-30170.9-58.8-64.7000112.4I102 R103 E106 V108 I311I102-Y114 CarbonylContact C-O 3.49Å; I102-Y114 WeakPolarHBondContact CA-O 3.35Å; R103-Y114 PolarHBondContact N-O 2.81Å; R103-Y114 WeakPolarHBondContact O-CD1 3.18Å; E106-Y114 HydrophobicContact CB-CD1 4.18Å; E106-Y114 WeakPolarHBondContact O-CE1 3.36Å; V108-Y114 HydrophobicContact CG1-CD1 4.27Å; V108-Y114 HydrophobicContact CG1-CD2 3.78Å; V108-Y114 HydrophobicContact CG1-CE1 3.93Å; V108-Y114 HydrophobicContact CG1-CE2 3.43Å; V108-Y114 VanDerWaalsContact CG1-CE2 3.43Å; V108-Y114 HydrophobicContact CG1-CG 4.21Å; Y114-I311 HydrophobicContact CD2-CD1 4Å; Y114-I311 HydrophobicContact CD2-CG1 3.42Å; Y114-I311 VanDerWaalsContact CD2-CG1 3.42Å; Y114-I311 WeakPolarHBondContact CD2-O 3.34Å; Y114-I311 HydrophobicContact CE2-CD1 4.23Å; Y114-I311 HydrophobicContact CE2-CG1 3.82Å; Y114-I311 HydrophobicContact CG-CG1 4.39Å
115Y97.4Very high97.2Very high66 Ų6630.4 Ų30.426%0.25916%0.161SC..EExtended strand (participates in β ladder)trans-92.4125.9174169.8-138.6000109.3N100 S113 D117 Q308 V309N100-Y115 HydrophobicContact CB-CE2 3.99Å; N100-Y115 VanDerWaalsContact OD1-CE2 3.29Å; N100-Y115 WeakPolarHBondContact OD1-CE2 3.33Å; N100-Y115 PolarHBondContact OD1-OH 3.23Å; S113-Y115 WeakPolarHBondContact CB-O 3.03Å; S113-Y115 PolarHBondContact O-N 3.49Å; S113-Y115 PolarHBondContact OG-N 2.74Å; S113-Y115 PolarHBondContact OG-O 2.88Å; Y115-D117 HydrophobicContact CE2-CB 4.23Å; Y115-Q308 HydrophobicContact CD1-CG 3.34Å; Y115-Q308 HydrophobicContact CE1-CG 3.49Å; Y115-Q308 VanDerWaalsContact CE1-CG 3.49Å; Y115-Q308 VanDerWaalsContact CE1-NE2 3.32Å; Y115-Q308 HydrophobicContact CG-CG 4.46Å; Y115-Q308 PolarHBondContact O-NE2 3.3Å; Y115-Q308 PolarHBondContact O-OE1 3.46Å; Y115-V309 WeakPolarHBondContact CD1-O 3.32Å
116V97.1Very high97.4Very high22 Ų2231.4 Ų31.413%0.13316%0.164CC..EExtended strand (participates in β ladder)trans-119128.7178.5177.60000109.2M99 N100 A101 R103 Q118M99-V116 HydrophobicContact CE-CG1 4.44Å; N100-V116 WeakPolarHBondContact CA-O 3.5Å; A101-V116 HydrophobicContact CB-CB 4.22Å; A101-V116 PolarHBondContact N-O 2.74Å; A101-V116 PolarHBondContact O-N 3.3Å; R103-V116 HydrophobicContact CB-CG2 4.41Å; R103-V116 HydrophobicContact CG-CG2 3.87Å; V116-Q118 HydrophobicContact CG1-CG 4.15Å
117D97.8Very high97.6Very high5 Ų534 Ų343%0.02717%0.172CC..EExtended strand (participates in β ladder)trans-120.9136.1173.260.1-1.7000111.7R21 M99 Y115 G290 Q291 S292R21-D117 IonicContact CZ-OD2 3.23Å; R21-D117 IonicContact NH1-OD2 3.15Å; R21-D117 PolarHBondContact NH1-OD2 3.49Å; R21-D117 IonicContact NH2-OD2 3.73Å; R21-D117 PolarHBondContact NH2-OD2 3.07Å; M99-D117 VanDerWaalsContact O-CA 3.31Å; M99-D117 WeakPolarHBondContact O-CA 3.49Å; Y115-D117 HydrophobicContact CE2-CB 4.23Å; D117-G290 CarbonylContact O-C 3.59Å; D117-G290 WeakPolarHBondContact O-CA 3.41Å; D117-Q291 HydrophobicContact CB-CB 4.35Å; D117-Q291 HydrophobicContact CB-CG 4.34Å; D117-Q291 PolarHBondContact O-N 3.35Å; D117-S292 WeakPolarHBondContact OD1-CB 3.47Å; D117-S292 PolarHBondContact OD1-N 3.18Å; D117-S292 PolarHBondContact OD1-OG 2.78Å; D117-S292 PolarHBondContact OD2-OG 3.44Å
118Q98.1Very high97.7Very high29 Ų2933.9 Ų33.914%0.13617%0.167CC..EExtended strand (participates in β ladder)trans-139.3150.7-179.1-61178.9-2300112.4M99 V116 D120 I289 Q291M99-Q118 HydrophobicContact CB-CB 4.48Å; M99-Q118 HydrophobicContact CE-CB 3.74Å; M99-Q118 VanDerWaalsContact CE-CD 3.45Å; M99-Q118 HydrophobicContact CE-CG 3.6Å; M99-Q118 PolarHBondContact N-O 2.7Å; M99-Q118 PolarHBondContact O-N 2.66Å; V116-Q118 HydrophobicContact CG1-CG 4.15Å; Q118-D120 PolarHBondContact O-N 3.45Å; Q118-I289 CarbonylContact C-O 3.51Å; Q118-I289 WeakPolarHBondContact CA-O 3.39Å; Q118-Q291 PolarHBondContact O-NE2 3.19Å
119W98.5Very high97.8Very high0 Ų034.3 Ų34.30%017%0.167CC..EExtended strand (participates in β ladder)trans-79.899.3149.3-64.7-70.4000107.7L20 R21 F24 L28 T97 D98 I289 Q291 L294L20-W119 HydrophobicContact CD2-CH2 4.24Å; R21-W119 HydrophobicContact CB-CH2 4.49Å; R21-W119 HydrophobicContact CB-CZ2 3.86Å; R21-W119 HydrophobicContact CG-CH2 4.04Å; R21-W119 HydrophobicContact CG-CZ2 3.77Å; F24-W119 HydrophobicContact CB-CH2 4.29Å; F24-W119 HydrophobicContact CB-CZ2 4.43Å; F24-W119 AromaticContact CD1-CD2 3.74Å; F24-W119 HydrophobicContact CD1-CD2 3.74Å; F24-W119 AromaticContact CD1-CE3 3.48Å; F24-W119 HydrophobicContact CD1-CE3 3.48Å; F24-W119 VanDerWaalsContact CD1-CE3 3.48Å; F24-W119 AromaticContact CD1-CH2 3.86Å; F24-W119 HydrophobicContact CD1-CH2 3.86Å; F24-W119 HydrophobicContact CD1-CZ2 4.11Å; F24-W119 AromaticContact CD1-CZ3 3.54Å; F24-W119 HydrophobicContact CD1-CZ3 3.54Å; F24-W119 HydrophobicContact CE1-CD2 4.07Å; F24-W119 AromaticContact CE1-CE3 3.63Å; F24-W119 HydrophobicContact CE1-CE3 3.63Å; F24-W119 AromaticContact CE1-CZ3 3.98Å; F24-W119 HydrophobicContact CE1-CZ3 3.98Å; F24-W119 HydrophobicContact CG-CH2 4.39Å; F24-W119 HydrophobicContact CG-CZ3 4.35Å; L28-W119 HydrophobicContact CD2-CB 3.93Å; L28-W119 HydrophobicContact CD2-CG 4.35Å; T97-W119 CarbonylContact O-C 3.5Å; T97-W119 WeakPolarHBondContact O-CA 3.49Å; D98-W119 PolarHBondContact OD1-NE1 3.35Å; W119-I289 HydrophobicContact CB-CB 4.42Å; W119-I289 HydrophobicContact CE3-CB 4.13Å; W119-I289 HydrophobicContact CE3-CG2 3.92Å; W119-I289 HydrophobicContact CZ3-CG2 4.34Å; W119-I289 PolarHBondContact N-O 2.86Å; W119-I289 PolarHBondContact O-N 3.31Å; W119-Q291 HydrophobicContact CD2-CG 3.74Å; W119-Q291 HydrophobicContact CE3-CB 4.3Å; W119-Q291 HydrophobicContact CE3-CG 3.76Å; W119-Q291 HydrophobicContact CG-CG 4.36Å; W119-Q291 HydrophobicContact CH2-CB 3.86Å; W119-Q291 HydrophobicContact CH2-CG 3.97Å; W119-Q291 HydrophobicContact CZ2-CB 4.18Å; W119-Q291 HydrophobicContact CZ2-CG 3.92Å; W119-Q291 HydrophobicContact CZ3-CB 3.92Å; W119-Q291 HydrophobicContact CZ3-CG 3.89Å; W119-L294 HydrophobicContact CH2-CD2 3.91Å; W119-L294 HydrophobicContact CZ3-CB 4.08Å; W119-L294 HydrophobicContact CZ3-CD2 3.6Å; W119-L294 HydrophobicContact CZ3-CG 4.39Å
120D98.2Very high97.9Very high3 Ų334.2 Ų34.22%0.01616%0.162CC..EExtended strand (participates in β ladder)trans-96.4111.8-176.5-135.1-8.9000107.9L76 K80 Y96 T97 M99 Q118L76-D120 WeakPolarHBondContact CA-OD2 3.48Å; L76-D120 VanDerWaalsContact CB-OD2 3.27Å; L76-D120 WeakPolarHBondContact CB-OD2 3.36Å; L76-D120 PolarHBondContact N-OD2 3.48Å; K80-D120 VanDerWaalsContact CD-C 3.42Å; K80-D120 HydrophobicContact CD-CB 3.95Å; K80-D120 WeakPolarHBondContact CE-OD1 3.27Å; K80-D120 IonicContact NZ-OD1 3.88Å; K80-D120 PolarHBondContact NZ-OD1 3.04Å; Y96-D120 CarbonylContact C-O 3.53Å; Y96-D120 WeakPolarHBondContact CA-O 3.34Å; T97-D120 PolarHBondContact N-O 3.06Å; T97-D120 PolarHBondContact O-N 2.83Å; M99-D120 HydrophobicContact CB-CB 3.69Å; M99-D120 HydrophobicContact CG-CB 4.34Å; Q118-D120 PolarHBondContact O-N 3.45Å
121W98.7Very high98Very high0 Ų034.3 Ų34.30%016%0.159CC..EExtended strand (participates in β ladder)trans-129.7157.1-167.268.3-87.4000113.2L32 L34 K80 I95 I123 V138 I142 M246 I285 G286 G287L32-W121 HydrophobicContact CD1-CD2 4.41Å; L32-W121 HydrophobicContact CD1-CE3 4.21Å; L32-W121 HydrophobicContact CD1-CZ3 4.37Å; L34-W121 HydrophobicContact CD1-CB 3.94Å; K80-W121 WeakPolarHBondContact CE-O 3.29Å; K80-W121 PolarHBondContact NZ-O 3.27Å; I95-W121 CarbonylContact O-C 3.45Å; I95-W121 VanDerWaalsContact O-CA 3.23Å; I95-W121 WeakPolarHBondContact O-CA 3.49Å; W121-I123 HydrophobicContact CE3-CD1 4Å; W121-I123 HydrophobicContact CE3-CG1 3.99Å; W121-I123 HydrophobicContact CZ3-CD1 3.64Å; W121-I123 HydrophobicContact CZ3-CG1 3.92Å; W121-V138 HydrophobicContact CH2-CG1 3.48Å; W121-V138 VanDerWaalsContact CH2-CG1 3.48Å; W121-V138 HydrophobicContact CZ2-CG1 4.27Å; W121-V138 HydrophobicContact CZ3-CG1 4.04Å; W121-I142 HydrophobicContact CH2-CD1 3.99Å; W121-I142 HydrophobicContact CZ2-CD1 3.32Å; W121-M246 HydrophobicContact CZ2-CB 4.04Å; W121-M246 HydrophobicContact CZ2-CE 4.45Å; W121-M246 HydrophobicContact CZ2-SD 4.08Å; W121-I285 HydrophobicContact CH2-CG1 4.19Å; W121-I285 HydrophobicContact CZ3-CG2 4.32Å; W121-G286 VanDerWaalsContact O-CA 3.27Å; W121-G286 WeakPolarHBondContact O-CA 3.42Å; W121-G287 PolarHBondContact N-O 2.88Å; W121-G287 PolarHBondContact NE1-O 3.31Å; W121-G287 PolarHBondContact O-N 2.9Å
122E98.8Very high98.1Very high0 Ų035.9 Ų35.90%017%0.168CC..EExtended strand (participates in β ladder)trans-159140.8-175.9-156.876.4-148.300110.8K80 L84 G94 I95 R249 T284 I285K80-E122 HydrophobicContact CB-CB 3.61Å; K80-E122 HydrophobicContact CB-CG 3.97Å; K80-E122 HydrophobicContact CD-CB 4.22Å; K80-E122 VanDerWaalsContact CE-OE2 3.23Å; K80-E122 WeakPolarHBondContact CE-OE2 3.33Å; K80-E122 HydrophobicContact CG-CB 4.45Å; K80-E122 IonicContact NZ-OE2 2.89Å; K80-E122 PolarHBondContact NZ-OE2 3.08Å; L84-E122 HydrophobicContact CD1-CB 3.81Å; L84-E122 HydrophobicContact CD1-CG 3.49Å; L84-E122 VanDerWaalsContact CD1-CG 3.49Å; G94-E122 CarbonylContact C-O 3.43Å; G94-E122 WeakPolarHBondContact CA-O 3.29Å; I95-E122 HydrophobicContact CG1-CB 4.32Å; I95-E122 PolarHBondContact N-O 3.08Å; I95-E122 PolarHBondContact O-N 3.39Å; E122-R249 WeakPolarHBondContact OE1-CD 3.45Å; E122-R249 WeakPolarHBondContact OE1-CG 3.36Å; E122-R249 IonicContact OE1-CZ 2.77Å; E122-R249 IonicContact OE1-NE 3.87Å; E122-R249 PolarHBondContact OE1-NE 3.03Å; E122-R249 IonicContact OE1-NH2 3.49Å; E122-R249 IonicContact OE2-CZ 2.78Å; E122-R249 IonicContact OE2-NE 3.39Å; E122-R249 PolarHBondContact OE2-NE 3.47Å; E122-R249 IonicContact OE2-NH2 3.95Å; E122-R249 PolarHBondContact OE2-NH2 2.83Å; E122-T284 HydrophobicContact CG-CG2 4.22Å; E122-T284 VanDerWaalsContact OE1-CB 3.29Å; E122-T284 WeakPolarHBondContact OE1-CB 3.48Å; E122-T284 PolarHBondContact OE1-OG1 3.39Å; E122-I285 CarbonylContact C-O 3.55Å; E122-I285 WeakPolarHBondContact CA-O 3.31Å
123I98.7Very high98.1Very high15 Ų1541 Ų418%0.07719%0.189CC..EExtended strand (participates in β ladder)trans-133.4140.2-177.3-56.9167.3000109.8L32 L34 W121 T284 I285L32-I123 HydrophobicContact CB-CD1 3.89Å; L32-I123 HydrophobicContact CD1-CD1 4.28Å; L32-I123 HydrophobicContact CD2-CD1 4.14Å; L32-I123 HydrophobicContact CG-CD1 4.34Å; L34-I123 HydrophobicContact CD2-CD1 4.01Å; L34-I123 HydrophobicContact CD2-CG1 3.5Å; L34-I123 VanDerWaalsContact CD2-CG1 3.5Å; W121-I123 HydrophobicContact CE3-CD1 4Å; W121-I123 HydrophobicContact CE3-CG1 3.99Å; W121-I123 HydrophobicContact CZ3-CD1 3.64Å; W121-I123 HydrophobicContact CZ3-CG1 3.92Å; I123-T284 CarbonylContact O-C 3.55Å; I123-T284 WeakPolarHBondContact O-CA 3.48Å; I123-T284 WeakPolarHBondContact O-CB 3.5Å; I123-I285 HydrophobicContact CB-CG2 4.03Å; I123-I285 PolarHBondContact N-O 3.08Å; I123-I285 PolarHBondContact O-N 3.27Å
124I98.7Very high98.2Very high10 Ų1042 Ų425%0.05119%0.193CC..EExtended strand (participates in β ladder)trans-75.9127.8173.1-59179000110.8L84 L89 Q91 Y92 D93 P282 L283 T284L84-I124 HydrophobicContact CB-CD1 4.26Å; L84-I124 HydrophobicContact CB-CG1 4.27Å; L84-I124 HydrophobicContact CD1-CG1 3.95Å; L84-I124 HydrophobicContact CD2-CG1 4.35Å; L84-I124 HydrophobicContact CG-CG1 4.43Å; L89-I124 HydrophobicContact CB-CD1 4.18Å; L89-I124 WeakPolarHBondContact O-CD1 3.5Å; Q91-I124 PolarHBondContact NE2-O 3.44Å; Y92-I124 VanDerWaalsContact CA-O 3.29Å; Y92-I124 WeakPolarHBondContact CA-O 3.27Å; Y92-I124 PolarHBondContact N-O 3.2Å; Y92-I124 VanDerWaalsContact N-O 3.13Å; D93-I124 PolarHBondContact O-N 2.84Å; D93-I124 VanDerWaalsContact O-N 3.07Å; I124-P282 HydrophobicContact CD1-CB 4.27Å; I124-P282 HydrophobicContact CD1-CG 4.19Å; I124-P282 HydrophobicContact CG1-CB 4.18Å; I124-P282 HydrophobicContact CG1-CG 4.15Å; I124-P282 HydrophobicContact CG2-CB 4.01Å; I124-L283 WeakPolarHBondContact CA-O 3.31Å; I124-T284 HydrophobicContact CG1-CG2 4.43Å
125I98.6Very high98.3Very high4 Ų439.3 Ų39.32%0.02118%0.183CC..  trans-122.1164.9178.865.1170.2000111.5Q91 E129 R130 I248 L283 I285Q91-I125 PolarHBondContact NE2-O 3.47Å; Q91-I125 VanDerWaalsContact NE2-O 3.12Å; I125-E129 WeakPolarHBondContact CA-OE2 3.42Å; I125-E129 HydrophobicContact CB-CB 4.37Å; I125-E129 WeakPolarHBondContact CB-OE2 3.48Å; I125-R130 HydrophobicContact CD1-CG 4.21Å; I125-I248 HydrophobicContact CD1-CD1 4.45Å; I125-I248 HydrophobicContact CD1-CG1 4.35Å; I125-I248 HydrophobicContact CD1-CG2 3.84Å; I125-L283 HydrophobicContact CG1-CB 4.05Å; I125-L283 PolarHBondContact N-O 2.98Å; I125-I285 HydrophobicContact CG2-CB 4.2Å; I125-I285 HydrophobicContact CG2-CG2 3.59Å
126Q98.1Very high98.4Very high80 Ų8038.9 Ų38.937%0.37418%0.183SC..  trans-86.9165.2173.2-65.1-160.31500111.6Q91 Y92 D128 E129Q91-Q126 HydrophobicContact CG-CG 4.23Å; Y92-Q126 HydrophobicContact CE1-CG 4.29Å; Y92-Q126 PolarHBondContact OH-NE2 3.25Å; Q126-D128 WeakPolarHBondContact CB-OD1 3.11Å; Q126-E129 HydrophobicContact CB-CG 4.23Å; Q126-E129 PolarHBondContact N-OE2 3.02Å; Q126-E129 PolarHBondContact O-N 3.27Å
127R97.9Very high98.4Very high102 Ų10241 Ų4139%0.38519%0.191SC..SBendtrans-65.9-40.2-179.3-179.5127.2-71.8-103.5-22.8112.1E129 R130 D251 E252 L283R127-E129 PolarHBondContact O-N 3.38Å; R127-R130 WeakPolarHBondContact O-CB 3.26Å; R127-R130 WeakPolarHBondContact O-CG 3.18Å; R127-R130 PolarHBondContact O-N 2.89Å; R127-D251 IonicContact CZ-OD2 2.73Å; R127-D251 IonicContact NH1-OD2 2.63Å; R127-D251 PolarHBondContact NH1-OD2 2.85Å; R127-D251 IonicContact NH2-OD2 3.57Å; R127-D251 PolarHBondContact NH2-OD2 3.19Å; R127-E252 IonicContact CZ-OE1 2.82Å; R127-E252 IonicContact CZ-OE2 3.69Å; R127-E252 IonicContact NH1-OE1 3.55Å; R127-E252 PolarHBondContact NH1-OE1 2.87Å; R127-E252 IonicContact NH1-OE2 2.74Å; R127-E252 IonicContact NH2-OE2 3.81Å; R127-L283 HydrophobicContact CB-CD1 3.71Å; R127-L283 HydrophobicContact CG-CD1 4.32Å
128D98.1Very high98.5Very high115 Ų11540.9 Ų40.962%0.61519%0.191SC*.THydrogen-bonded Turntrans-69.6-20.1177.564.9-30.3000113.1Q126 R130 N131Q126-D128 WeakPolarHBondContact CB-OD1 3.11Å; D128-R130 VanDerWaalsContact C-N 3.26Å; D128-R130 PolarHBondContact O-N 3.06Å; D128-N131 PolarHBondContact O-ND2 2.82Å
129E98.3Very high98.5Very high32 Ų3239.5 Ų39.515%0.1518%0.184CC..THydrogen-bonded Turntrans-78.9-1.1171.8-65.2-177119.600113.9Y92 I125 Q126 R127 N131 K134Y92-E129 VanDerWaalsContact CE1-OE2 3.32Å; Y92-E129 WeakPolarHBondContact CE1-OE2 3.49Å; I125-E129 WeakPolarHBondContact CA-OE2 3.42Å; I125-E129 HydrophobicContact CB-CB 4.37Å; I125-E129 WeakPolarHBondContact CB-OE2 3.48Å; Q126-E129 HydrophobicContact CB-CG 4.23Å; Q126-E129 PolarHBondContact N-OE2 3.02Å; Q126-E129 PolarHBondContact O-N 3.27Å; R127-E129 PolarHBondContact O-N 3.38Å; E129-N131 PolarHBondContact O-N 3.38Å; E129-K134 HydrophobicContact CB-CB 4.29Å; E129-K134 HydrophobicContact CB-CD 4.27Å; E129-K134 HydrophobicContact CB-CG 4.04Å; E129-K134 HydrophobicContact CG-CD 4.47Å; E129-K134 WeakPolarHBondContact O-CB 3.26Å; E129-K134 VanDerWaalsContact OE1-CE 3.29Å; E129-K134 WeakPolarHBondContact OE1-CE 3.22Å; E129-K134 IonicContact OE1-NZ 3.24Å; E129-K134 PolarHBondContact OE1-NZ 2.77Å
130R98.2Very high98.5Very high32 Ų3244.3 Ų44.312%0.12121%0.207CC..  trans-75.271173.8-66.2-175.465.978.93111.7I125 R127 D128 D223 L226 I248 R249 D251I125-R130 HydrophobicContact CD1-CG 4.21Å; R127-R130 WeakPolarHBondContact O-CB 3.26Å; R127-R130 WeakPolarHBondContact O-CG 3.18Å; R127-R130 PolarHBondContact O-N 2.89Å; D128-R130 VanDerWaalsContact C-N 3.26Å; D128-R130 PolarHBondContact O-N 3.06Å; R130-D223 IonicContact NH2-OD2 3.63Å; R130-D223 PolarHBondContact NH2-OD2 2.88Å; R130-L226 HydrophobicContact CB-CD1 4.34Å; R130-I248 HydrophobicContact CB-CG2 4.45Å; R130-I248 HydrophobicContact CG-CG2 4.07Å; R130-I248 VanDerWaalsContact NH1-CG2 3.32Å; R130-R249 PolarHBondContact NH1-O 3.22Å; R130-R249 PolarHBondContact NH2-O 2.77Å; R130-D251 IonicContact CZ-OD2 3.82Å; R130-D251 IonicContact NE-OD2 3.21Å; R130-D251 PolarHBondContact NE-OD2 3.29Å; R130-D251 IonicContact NH2-OD2 3.25Å
131N98.5Very high98.5Very high59 Ų5946.5 Ų46.532%0.31622%0.216SC..SBendtrans-152.2165.6-177.26161.4000111.4D128 E129 K133 K134 L135 I248D128-N131 PolarHBondContact O-ND2 2.82Å; E129-N131 PolarHBondContact O-N 3.38Å; N131-K133 VanDerWaalsContact C-N 3.26Å; N131-K133 PolarHBondContact O-N 2.86Å; N131-K133 WeakPolarHBondContact OD1-CA 3.46Å; N131-K133 VanDerWaalsContact OD1-CB 3.3Å; N131-K133 WeakPolarHBondContact OD1-CB 3.38Å; N131-K133 PolarHBondContact OD1-N 3.46Å; N131-K133 VanDerWaalsContact OD1-N 3.11Å; N131-K134 PolarHBondContact O-N 3.45Å; N131-K134 PolarHBondContact OD1-N 2.94Å; N131-L135 PolarHBondContact O-N 2.65Å; N131-I248 WeakPolarHBondContact O-CD1 3.26Å
132D98.3Very high98.6Very high61 Ų6146.5 Ų46.533%0.32622%0.216SC..Hα-helixtrans-55.9-38.9179.4-80-64.5000113.2K134 L135 E136 K202D132-K134 VanDerWaalsContact C-N 3.29Å; D132-K134 PolarHBondContact O-N 3.18Å; D132-L135 WeakPolarHBondContact O-CB 3.44Å; D132-L135 PolarHBondContact O-N 3.01Å; D132-L135 VanDerWaalsContact O-N 3.15Å; D132-E136 WeakPolarHBondContact O-CB 3.13Å; D132-E136 VanDerWaalsContact O-CG 3.31Å; D132-E136 WeakPolarHBondContact O-CG 3.46Å; D132-E136 PolarHBondContact O-N 3.43Å; D132-K202 VanDerWaalsContact CG-NZ 3.35Å; D132-K202 WeakPolarHBondContact OD1-CE 3.31Å; D132-K202 IonicContact OD1-NZ 2.91Å; D132-K202 PolarHBondContact OD1-NZ 2.84Å
133K98.6Very high98.6Very high165 Ų16546.7 Ų46.772%0.71722%0.217SC*.Hα-helixtrans-58.8-41.7-179.2-179.9-173.5176.6-174.10111.5N131 E137N131-K133 VanDerWaalsContact C-N 3.26Å; N131-K133 PolarHBondContact O-N 2.86Å; N131-K133 WeakPolarHBondContact OD1-CA 3.46Å; N131-K133 VanDerWaalsContact OD1-CB 3.3Å; N131-K133 WeakPolarHBondContact OD1-CB 3.38Å; N131-K133 PolarHBondContact OD1-N 3.46Å; N131-K133 VanDerWaalsContact OD1-N 3.11Å; K133-E137 WeakPolarHBondContact O-CB 3.43Å; K133-E137 PolarHBondContact O-N 3.21Å
134K98.6Very high98.5Very high26 Ų2648.3 Ų48.311%0.11323%0.226CC..Hα-helixtrans-68-42177.6-175.463.1172.4-167.80112.1E129 N131 D132 E137 V138 I248E129-K134 HydrophobicContact CB-CB 4.29Å; E129-K134 HydrophobicContact CB-CD 4.27Å; E129-K134 HydrophobicContact CB-CG 4.04Å; E129-K134 HydrophobicContact CG-CD 4.47Å; E129-K134 WeakPolarHBondContact O-CB 3.26Å; E129-K134 VanDerWaalsContact OE1-CE 3.29Å; E129-K134 WeakPolarHBondContact OE1-CE 3.22Å; E129-K134 IonicContact OE1-NZ 3.24Å; E129-K134 PolarHBondContact OE1-NZ 2.77Å; N131-K134 PolarHBondContact O-N 3.45Å; N131-K134 PolarHBondContact OD1-N 2.94Å; D132-K134 VanDerWaalsContact C-N 3.29Å; D132-K134 PolarHBondContact O-N 3.18Å; K134-E137 IonicContact NZ-OE2 2.87Å; K134-E137 PolarHBondContact O-N 2.93Å; K134-V138 WeakPolarHBondContact O-CG2 3.48Å; K134-V138 PolarHBondContact O-N 3.43Å; K134-V138 VanDerWaalsContact O-N 3.16Å; K134-I248 HydrophobicContact CB-CD1 4.26Å
135L98.8Very high98.6Very high0 Ų048 Ų480%022%0.224CC..Hα-helixtrans-58.8-51.5177.117762.3000110.5N131 D132 E137 V138 V139 F200 L226 I248 I285N131-L135 PolarHBondContact O-N 2.65Å; D132-L135 WeakPolarHBondContact O-CB 3.44Å; D132-L135 PolarHBondContact O-N 3.01Å; D132-L135 VanDerWaalsContact O-N 3.15Å; L135-E137 PolarHBondContact O-N 3.42Å; L135-V138 PolarHBondContact O-N 2.99Å; L135-V139 HydrophobicContact CD1-CG2 4.42Å; L135-V139 VanDerWaalsContact O-CG2 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.24Å; L135-V139 PolarHBondContact O-N 2.89Å; L135-F200 HydrophobicContact CD1-CE1 4.21Å; L135-F200 HydrophobicContact CD1-CZ 4.05Å; L135-F200 HydrophobicContact CD2-CE1 3.91Å; L135-F200 HydrophobicContact CD2-CZ 4.44Å; L135-F200 HydrophobicContact CG-CE1 3.95Å; L135-F200 HydrophobicContact CG-CZ 4.3Å; L135-L226 VanDerWaalsContact CD2-C 3.48Å; L135-L226 WeakPolarHBondContact CD2-O 3.38Å; L135-I248 HydrophobicContact CB-CD1 4.29Å; L135-I248 HydrophobicContact CB-CG1 4.5Å; L135-I285 HydrophobicContact CD1-CD1 4.1Å
136E98.8Very high98.6Very high56 Ų5647.8 Ų47.826%0.26222%0.223SC..Hα-helixtrans-62.9-42.3-179.9-64.4-176.9-177.200111.8D132 V138 V139 E140 F170 K202D132-E136 WeakPolarHBondContact O-CB 3.13Å; D132-E136 VanDerWaalsContact O-CG 3.31Å; D132-E136 WeakPolarHBondContact O-CG 3.46Å; D132-E136 PolarHBondContact O-N 3.43Å; E136-V138 VanDerWaalsContact C-N 3.29Å; E136-V138 PolarHBondContact O-N 3.49Å; E136-V139 PolarHBondContact O-N 3.46Å; E136-E140 WeakPolarHBondContact O-CG 3.31Å; E136-E140 PolarHBondContact O-N 2.85Å; E136-F170 HydrophobicContact CB-CD1 4.33Å; E136-F170 HydrophobicContact CB-CE1 3.79Å; E136-F170 HydrophobicContact CB-CE2 4.23Å; E136-F170 HydrophobicContact CB-CZ 3.73Å; E136-F170 HydrophobicContact CG-CD1 3.61Å; E136-F170 HydrophobicContact CG-CD2 4.45Å; E136-F170 HydrophobicContact CG-CE1 3.54Å; E136-F170 HydrophobicContact CG-CE2 4.38Å; E136-F170 HydrophobicContact CG-CG 4.09Å; E136-F170 HydrophobicContact CG-CZ 3.94Å; E136-K202 IonicContact OE1-NZ 2.74Å; E136-K202 PolarHBondContact OE1-NZ 3.43Å
137E98.6Very high98.6Very high67 Ų6745.2 Ų45.231%0.31321%0.211SC..Hα-helixtrans-55-43.6174.7-175.8-155.7150.500112.1K133 K134 L135 K141K133-E137 WeakPolarHBondContact O-CB 3.43Å; K133-E137 PolarHBondContact O-N 3.21Å; K134-E137 IonicContact NZ-OE2 2.87Å; K134-E137 PolarHBondContact O-N 2.93Å; L135-E137 PolarHBondContact O-N 3.42Å; E137-K141 WeakPolarHBondContact O-CG 3.48Å; E137-K141 PolarHBondContact O-N 3.46Å; E137-K141 VanDerWaalsContact O-N 3.16Å; E137-K141 VanDerWaalsContact OE1-CE 3.29Å; E137-K141 WeakPolarHBondContact OE1-CE 3.27Å; E137-K141 IonicContact OE1-NZ 3.49Å; E137-K141 PolarHBondContact OE1-NZ 3.45Å
138V98.7Very high98.6Very high3 Ų343 Ų432%0.01821%0.209CC..Hα-helixtrans-74.6-38.3-178.9174.30000111.4L32 W121 K134 L135 E136 K141 I142 I285L32-V138 HydrophobicContact CD2-CG1 4.16Å; W121-V138 HydrophobicContact CH2-CG1 3.48Å; W121-V138 VanDerWaalsContact CH2-CG1 3.48Å; W121-V138 HydrophobicContact CZ2-CG1 4.27Å; W121-V138 HydrophobicContact CZ3-CG1 4.04Å; K134-V138 WeakPolarHBondContact O-CG2 3.48Å; K134-V138 PolarHBondContact O-N 3.43Å; K134-V138 VanDerWaalsContact O-N 3.16Å; L135-V138 PolarHBondContact O-N 2.99Å; E136-V138 VanDerWaalsContact C-N 3.29Å; E136-V138 PolarHBondContact O-N 3.49Å; V138-K141 PolarHBondContact O-N 2.86Å; V138-I142 HydrophobicContact CG1-CD1 4.07Å; V138-I142 WeakPolarHBondContact O-CG1 3.12Å; V138-I142 PolarHBondContact O-N 3.33Å; V138-I285 HydrophobicContact CB-CD1 3.8Å; V138-I285 HydrophobicContact CG1-CD1 4.02Å; V138-I285 HydrophobicContact CG2-CD1 3.94Å; V138-I285 HydrophobicContact CG2-CG2 4.44Å
139V98.9Very high98.6Very high0 Ų037.6 Ų37.60%018%0.18CC..Hα-helixtrans-59.3-46.8173.2171.30000110.7L135 E136 K141 I142 Y143 I168 F170 F200 I230 M246L135-V139 HydrophobicContact CD1-CG2 4.42Å; L135-V139 VanDerWaalsContact O-CG2 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.24Å; L135-V139 PolarHBondContact O-N 2.89Å; E136-V139 PolarHBondContact O-N 3.46Å; V139-K141 VanDerWaalsContact C-N 3.34Å; V139-K141 PolarHBondContact O-N 3.05Å; V139-I142 PolarHBondContact O-N 2.97Å; V139-Y143 WeakPolarHBondContact O-CB 3.33Å; V139-Y143 PolarHBondContact O-N 3.34Å; V139-I168 HydrophobicContact CG1-CD1 4.09Å; V139-I168 HydrophobicContact CG1-CG2 4.31Å; V139-F170 HydrophobicContact CB-CE1 3.92Å; V139-F170 HydrophobicContact CB-CZ 4.13Å; V139-F170 HydrophobicContact CG1-CE1 3.71Å; V139-F170 HydrophobicContact CG1-CZ 3.92Å; V139-F170 HydrophobicContact CG2-CE1 4.4Å; V139-F200 HydrophobicContact CB-CD2 4.44Å; V139-F200 HydrophobicContact CB-CG 4.46Å; V139-F200 HydrophobicContact CG1-CB 3.92Å; V139-F200 HydrophobicContact CG1-CD1 4.43Å; V139-F200 HydrophobicContact CG1-CD2 3.8Å; V139-F200 HydrophobicContact CG1-CE2 4.44Å; V139-F200 HydrophobicContact CG1-CG 3.78Å; V139-F200 HydrophobicContact CG2-CD1 3.94Å; V139-F200 HydrophobicContact CG2-CD2 3.7Å; V139-F200 HydrophobicContact CG2-CE1 3.74Å; V139-F200 HydrophobicContact CG2-CE2 3.51Å; V139-F200 HydrophobicContact CG2-CG 3.91Å; V139-F200 HydrophobicContact CG2-CZ 3.53Å; V139-I230 HydrophobicContact CG1-CD1 4.45Å; V139-I230 HydrophobicContact CG1-CG1 4.47Å; V139-M246 HydrophobicContact CG2-CG 4.45Å; V139-M246 HydrophobicContact CG2-SD 3.63Å
140E98.8Very high98.6Very high101 Ų10136.2 Ų36.247%0.47217%0.173SC..Hα-helixtrans-59.6-43.1177.4-73.6178.2156.900111.8E136 I142 Y143 D144 F170E136-E140 WeakPolarHBondContact O-CG 3.31Å; E136-E140 PolarHBondContact O-N 2.85Å; E140-I142 PolarHBondContact O-N 2.83Å; E140-Y143 PolarHBondContact O-N 3.36Å; E140-D144 WeakPolarHBondContact O-CB 3.11Å; E140-D144 PolarHBondContact O-N 3.11Å; E140-F170 HydrophobicContact CG-CE2 4.13Å; E140-F170 HydrophobicContact CG-CZ 3.98Å
141K98.7Very high98.6Very high48 Ų4837.5 Ų37.521%0.20918%0.183CC..Hα-helixtrans-60.7-42.4175.4-76.3177.2-169.3172.70112.6R31 L32 E137 V138 V139 C145R31-K141 HydrophobicContact CG-CB 3.83Å; R31-K141 HydrophobicContact CG-CD 4.48Å; R31-K141 HydrophobicContact CG-CG 4.09Å; L32-K141 HydrophobicContact CD2-CB 3.82Å; L32-K141 HydrophobicContact CD2-CD 3.8Å; L32-K141 HydrophobicContact CD2-CG 4.48Å; E137-K141 WeakPolarHBondContact O-CG 3.48Å; E137-K141 PolarHBondContact O-N 3.46Å; E137-K141 VanDerWaalsContact O-N 3.16Å; E137-K141 VanDerWaalsContact OE1-CE 3.29Å; E137-K141 WeakPolarHBondContact OE1-CE 3.27Å; E137-K141 IonicContact OE1-NZ 3.49Å; E137-K141 PolarHBondContact OE1-NZ 3.45Å; V138-K141 PolarHBondContact O-N 2.86Å; V139-K141 VanDerWaalsContact C-N 3.34Å; V139-K141 PolarHBondContact O-N 3.05Å; K141-C145 PolarHBondContact O-N 2.7Å; K141-C145 VanDerWaalsContact O-N 3.16Å; K141-C145 PolarHBondContact O-SG 3.46Å
142I98.8Very high98.6Very high0 Ų037.7 Ų37.70%018%0.183CC..Hα-helixtrans-66.7-43.2176.9-69.4168.2000110.3L28 L32 W121 V138 V139 E140 D144 C145 M146 I230 M246 I289L28-I142 HydrophobicContact CD1-CG1 4.07Å; L32-I142 HydrophobicContact CD1-CD1 4.07Å; L32-I142 HydrophobicContact CD1-CG1 3.73Å; W121-I142 HydrophobicContact CH2-CD1 3.99Å; W121-I142 HydrophobicContact CZ2-CD1 3.32Å; V138-I142 HydrophobicContact CG1-CD1 4.07Å; V138-I142 WeakPolarHBondContact O-CG1 3.12Å; V138-I142 PolarHBondContact O-N 3.33Å; V139-I142 PolarHBondContact O-N 2.97Å; E140-I142 PolarHBondContact O-N 2.83Å; I142-D144 VanDerWaalsContact C-N 3.34Å; I142-D144 PolarHBondContact O-N 3.05Å; I142-C145 WeakPolarHBondContact O-CA 3.34Å; I142-C145 VanDerWaalsContact O-CB 3.29Å; I142-C145 WeakPolarHBondContact O-CB 3.31Å; I142-C145 PolarHBondContact O-N 2.98Å; I142-C145 VanDerWaalsContact O-N 3.08Å; I142-M146 HydrophobicContact CG2-CE 3.91Å; I142-M146 WeakPolarHBondContact O-CG 3.38Å; I142-M146 PolarHBondContact O-N 2.9Å; I142-I230 HydrophobicContact CG2-CD1 3.96Å; I142-M246 HydrophobicContact CD1-CE 3.61Å; I142-M246 HydrophobicContact CD1-SD 3.73Å; I142-M246 HydrophobicContact CG2-CE 4.35Å; I142-I289 HydrophobicContact CG2-CD1 3.89Å
143Y98.8Very high98.6Very high4 Ų435 Ų352%0.01617%0.168CC..Hα-helixtrans-62.4-40.8177.8-167.8-108.3000112V139 E140 C145 M146 K147 L164 P165 I168 A198V139-Y143 WeakPolarHBondContact O-CB 3.33Å; V139-Y143 PolarHBondContact O-N 3.34Å; E140-Y143 PolarHBondContact O-N 3.36Å; Y143-C145 VanDerWaalsContact C-N 3.3Å; Y143-C145 PolarHBondContact O-N 3.43Å; Y143-M146 HydrophobicContact CD2-SD 4.45Å; Y143-M146 WeakPolarHBondContact O-CA 3.45Å; Y143-M146 WeakPolarHBondContact O-CB 3.27Å; Y143-M146 PolarHBondContact O-N 3.41Å; Y143-M146 VanDerWaalsContact O-N 3.08Å; Y143-K147 HydrophobicContact CD1-CD 4.15Å; Y143-K147 HydrophobicContact CD1-CG 4.26Å; Y143-K147 HydrophobicContact CE1-CD 3.8Å; Y143-K147 HydrophobicContact CE1-CG 4Å; Y143-K147 PolarHBondContact O-N 3.19Å; Y143-L164 HydrophobicContact CE2-CD1 4.36Å; Y143-L164 HydrophobicContact CE2-CD2 4.06Å; Y143-P165 WeakPolarHBondContact OH-CD 3.28Å; Y143-P165 VanDerWaalsContact OH-CG 3.28Å; Y143-P165 WeakPolarHBondContact OH-CG 3.4Å; Y143-P165 PolarHBondContact OH-O 3.12Å; Y143-I168 HydrophobicContact CD1-CB 4Å; Y143-I168 HydrophobicContact CD1-CG2 4.29Å; Y143-I168 HydrophobicContact CD2-CB 4.06Å; Y143-I168 HydrophobicContact CD2-CD1 3.87Å; Y143-I168 HydrophobicContact CD2-CG1 4.39Å; Y143-I168 HydrophobicContact CE1-CB 4.08Å; Y143-I168 HydrophobicContact CE2-CB 4.14Å; Y143-I168 HydrophobicContact CE2-CD1 4.25Å; Y143-I168 HydrophobicContact CE2-CG1 4.44Å; Y143-I168 HydrophobicContact CG-CB 3.98Å; Y143-I168 HydrophobicContact CG-CD1 4.37Å; Y143-I168 HydrophobicContact CG-CG2 4.23Å; Y143-A198 HydrophobicContact CE2-CB 3.76Å; Y143-A198 WeakPolarHBondContact OH-CB 2.89Å
144D98.6Very high98.6Very high50 Ų5028.5 Ų28.527%0.26714%0.142SC..Hα-helixtrans-58-41.8170.8-80.5-16.2000111.9R31 E140 I142 M146 K147 V148R31-D144 IonicContact CZ-OD2 3.12Å; R31-D144 IonicContact NE-OD2 3.65Å; R31-D144 IonicContact NH2-OD2 3.93Å; R31-D144 PolarHBondContact NH2-OD2 3.41Å; E140-D144 WeakPolarHBondContact O-CB 3.11Å; E140-D144 PolarHBondContact O-N 3.11Å; I142-D144 VanDerWaalsContact C-N 3.34Å; I142-D144 PolarHBondContact O-N 3.05Å; D144-M146 VanDerWaalsContact C-N 3.27Å; D144-M146 PolarHBondContact O-N 3.35Å; D144-K147 PolarHBondContact O-N 3.18Å; D144-K147 WeakPolarHBondContact OD1-CE 3.46Å; D144-K147 IonicContact OD1-NZ 3.95Å; D144-K147 PolarHBondContact OD1-NZ 2.87Å; D144-V148 WeakPolarHBondContact O-CB 3.37Å; D144-V148 WeakPolarHBondContact O-CG2 3.4Å; D144-V148 PolarHBondContact O-N 3.06Å
145C98.7Very high98.5Very high2 Ų232 Ų321%0.01417%0.17CC..Hα-helixtrans-61.6-38175.8-63.10000111.5F24 Q27 R31 K141 I142 Y143 T149F24-C145 HydrophobicContact CD2-CB 4.39Å; F24-C145 HydrophobicContact CE2-CB 3.87Å; Q27-C145 VanDerWaalsContact C-SG 3.59Å; Q27-C145 HydrophobicContact CB-CB 3.77Å; R31-C145 VanDerWaalsContact CB-SG 3.5Å; K141-C145 PolarHBondContact O-N 2.7Å; K141-C145 VanDerWaalsContact O-N 3.16Å; K141-C145 PolarHBondContact O-SG 3.46Å; I142-C145 WeakPolarHBondContact O-CA 3.34Å; I142-C145 VanDerWaalsContact O-CB 3.29Å; I142-C145 WeakPolarHBondContact O-CB 3.31Å; I142-C145 PolarHBondContact O-N 2.98Å; I142-C145 VanDerWaalsContact O-N 3.08Å; Y143-C145 VanDerWaalsContact C-N 3.3Å; Y143-C145 PolarHBondContact O-N 3.43Å; C145-T149 VanDerWaalsContact O-CB 3.31Å; C145-T149 WeakPolarHBondContact O-CB 3.4Å; C145-T149 PolarHBondContact O-N 2.98Å; C145-T149 PolarHBondContact O-OG1 3.48Å
146M98.7Very high98.5Very high0 Ų034.3 Ų34.30%019%0.19CC..Hα-helixtrans-65.2-47.9174.7-64.5179.9177.100111F24 I142 Y143 D144 V148 T149 E150 L164 I230 L243 I289 L294 F298F24-M146 HydrophobicContact CE2-CB 4.37Å; F24-M146 HydrophobicContact CE2-CG 3.58Å; F24-M146 HydrophobicContact CZ-CE 4.43Å; F24-M146 HydrophobicContact CZ-CG 4.13Å; I142-M146 HydrophobicContact CG2-CE 3.91Å; I142-M146 WeakPolarHBondContact O-CG 3.38Å; I142-M146 PolarHBondContact O-N 2.9Å; Y143-M146 HydrophobicContact CD2-SD 4.45Å; Y143-M146 WeakPolarHBondContact O-CA 3.45Å; Y143-M146 WeakPolarHBondContact O-CB 3.27Å; Y143-M146 PolarHBondContact O-N 3.41Å; Y143-M146 VanDerWaalsContact O-N 3.08Å; D144-M146 VanDerWaalsContact C-N 3.27Å; D144-M146 PolarHBondContact O-N 3.35Å; M146-V148 PolarHBondContact O-N 3.18Å; M146-T149 PolarHBondContact O-N 2.91Å; M146-E150 PolarHBondContact O-N 2.88Å; M146-L164 HydrophobicContact CB-CD1 3.76Å; M146-I230 HydrophobicContact CE-CD1 4.06Å; M146-I230 HydrophobicContact CE-CG2 4.45Å; M146-I230 HydrophobicContact SD-CG2 4.41Å; M146-L243 HydrophobicContact CE-CB 4.33Å; M146-L243 HydrophobicContact CE-CD1 4.42Å; M146-L243 HydrophobicContact SD-CD1 4.15Å; M146-I289 HydrophobicContact CE-CG2 4.1Å; M146-L294 HydrophobicContact CE-CD1 3.95Å; M146-L294 HydrophobicContact CG-CD1 4.23Å; M146-L294 HydrophobicContact SD-CD1 4.31Å; M146-F298 HydrophobicContact CB-CZ 4.15Å
147K98.5Very high98.5Very high27 Ų2733.3 Ų33.312%0.11718%0.184CC..Hα-helixtrans-60.8-44177.2-69.6-168.1-59.8-177.50112.7Y143 D144 T149 E150 N151 L164 E166Y143-K147 HydrophobicContact CD1-CD 4.15Å; Y143-K147 HydrophobicContact CD1-CG 4.26Å; Y143-K147 HydrophobicContact CE1-CD 3.8Å; Y143-K147 HydrophobicContact CE1-CG 4Å; Y143-K147 PolarHBondContact O-N 3.19Å; D144-K147 PolarHBondContact O-N 3.18Å; D144-K147 WeakPolarHBondContact OD1-CE 3.46Å; D144-K147 IonicContact OD1-NZ 3.95Å; D144-K147 PolarHBondContact OD1-NZ 2.87Å; K147-T149 VanDerWaalsContact C-N 3.33Å; K147-T149 PolarHBondContact O-N 2.95Å; K147-E150 WeakPolarHBondContact O-CB 3.13Å; K147-E150 PolarHBondContact O-N 3.24Å; K147-N151 PolarHBondContact O-N 3.43Å; K147-N151 PolarHBondContact O-ND2 2.87Å; K147-L164 HydrophobicContact CG-CB 4.32Å; K147-L164 HydrophobicContact CG-CD1 4.23Å; K147-E166 PolarHBondContact NZ-O 3.49Å; K147-E166 IonicContact NZ-OE1 3.28Å; K147-E166 PolarHBondContact NZ-OE1 3.41Å
148V98.4Very high98.4Very high56 Ų5635.2 Ų35.234%0.33920%0.202SC..Hα-helixtrans-63-43176.8171.20000110.6Q27 D144 M146 N151 I152Q27-V148 HydrophobicContact CG-CG1 4.08Å; D144-V148 WeakPolarHBondContact O-CB 3.37Å; D144-V148 WeakPolarHBondContact O-CG2 3.4Å; D144-V148 PolarHBondContact O-N 3.06Å; M146-V148 PolarHBondContact O-N 3.18Å; V148-N151 PolarHBondContact O-N 3.05Å; V148-I152 HydrophobicContact CG1-CD1 3.75Å; V148-I152 WeakPolarHBondContact O-CG1 3.38Å; V148-I152 PolarHBondContact O-N 3.19Å
149T98.5Very high98.3Very high1 Ų138.4 Ų38.41%0.00622%0.221CC..Hα-helixtrans-64-41.2177-60.20000111.6L20 C23 F24 C145 M146 K147 I152 L153L20-T149 HydrophobicContact CG-CG2 4.19Å; C23-T149 HydrophobicContact CB-CG2 4.23Å; F24-T149 WeakPolarHBondContact CA-OG1 3.05Å; F24-T149 HydrophobicContact CB-CG2 4.15Å; C145-T149 VanDerWaalsContact O-CB 3.31Å; C145-T149 WeakPolarHBondContact O-CB 3.4Å; C145-T149 PolarHBondContact O-N 2.98Å; C145-T149 PolarHBondContact O-OG1 3.48Å; M146-T149 PolarHBondContact O-N 2.91Å; K147-T149 VanDerWaalsContact C-N 3.33Å; K147-T149 PolarHBondContact O-N 2.95Å; T149-I152 PolarHBondContact O-N 3.4Å; T149-L153 VanDerWaalsContact O-CB 3.27Å; T149-L153 WeakPolarHBondContact O-CB 3.16Å; T149-L153 PolarHBondContact O-N 3.41Å
150E98.4Very high98.2Very high2 Ų238.6 Ų38.61%0.00922%0.222CC..Hα-helixtrans-56.7-51173.9-172-176.4-117.800111.3M146 K147 I152 L153 V154 R162 K163 L164 F298M146-E150 PolarHBondContact O-N 2.88Å; K147-E150 WeakPolarHBondContact O-CB 3.13Å; K147-E150 PolarHBondContact O-N 3.24Å; E150-I152 VanDerWaalsContact C-N 3.33Å; E150-I152 PolarHBondContact O-N 3.41Å; E150-L153 PolarHBondContact O-N 2.77Å; E150-V154 HydrophobicContact CG-CG2 4.32Å; E150-V154 WeakPolarHBondContact O-CB 3.36Å; E150-V154 WeakPolarHBondContact O-CG2 3.49Å; E150-V154 PolarHBondContact O-N 2.96Å; E150-R162 HydrophobicContact CG-CG 4.47Å; E150-R162 IonicContact OE2-NE 3.23Å; E150-K163 WeakPolarHBondContact OE1-CA 3.37Å; E150-K163 PolarHBondContact OE1-N 3.47Å; E150-L164 PolarHBondContact OE1-N 3.25Å; E150-F298 HydrophobicContact CB-CD1 4.08Å; E150-F298 HydrophobicContact CB-CE1 3.5Å; E150-F298 HydrophobicContact CB-CZ 4.12Å; E150-F298 HydrophobicContact CG-CD1 3.96Å; E150-F298 HydrophobicContact CG-CE1 3.71Å
151N98.1Very high98.1Very high60 Ų6038.1 Ų38.132%0.32122%0.223SC..Hα-helixtrans-59.9-43.4-179.1-72.2-29.8000112K147 V148 S155 R162K147-N151 PolarHBondContact O-N 3.43Å; K147-N151 PolarHBondContact O-ND2 2.87Å; V148-N151 PolarHBondContact O-N 3.05Å; N151-S155 WeakPolarHBondContact O-CB 3.34Å; N151-S155 PolarHBondContact O-N 3.26Å; N151-S155 VanDerWaalsContact O-N 3.09Å; N151-S155 PolarHBondContact O-OG 2.96Å; N151-R162 PolarHBondContact OD1-NE 3.21Å
152I98.3Very high98Very high63 Ų6342.9 Ų42.932%0.32324%0.24SC..Hα-helixtrans-66.8-42.3178.5-68.2168.1000110.5F19 C23 V148 T149 E150 S155 A156F19-I152 HydrophobicContact CE1-CG2 3.73Å; F19-I152 HydrophobicContact CZ-CG2 3.54Å; C23-I152 VanDerWaalsContact SG-CD1 3.59Å; V148-I152 HydrophobicContact CG1-CD1 3.75Å; V148-I152 WeakPolarHBondContact O-CG1 3.38Å; V148-I152 PolarHBondContact O-N 3.19Å; T149-I152 PolarHBondContact O-N 3.4Å; E150-I152 VanDerWaalsContact C-N 3.33Å; E150-I152 PolarHBondContact O-N 3.41Å; I152-S155 PolarHBondContact O-N 3.35Å; I152-A156 PolarHBondContact O-N 3.19Å; I152-A156 VanDerWaalsContact O-N 3.1Å
153L98.2Very high97.8Very high3 Ų345 Ų452%0.01625%0.249CC..Hα-helixtrans-65.4-48178.8-174.473.8000112.2F19 L20 T149 E150 S155 A156 Y157 L160 F298F19-L153 HydrophobicContact CD1-CD1 3.83Å; F19-L153 HydrophobicContact CE1-CD1 4.29Å; L20-L153 HydrophobicContact CB-CD1 4.28Å; L20-L153 HydrophobicContact CD1-CD2 3.98Å; T149-L153 VanDerWaalsContact O-CB 3.27Å; T149-L153 WeakPolarHBondContact O-CB 3.16Å; T149-L153 PolarHBondContact O-N 3.41Å; E150-L153 PolarHBondContact O-N 2.77Å; L153-S155 PolarHBondContact O-N 3.11Å; L153-A156 PolarHBondContact O-N 2.9Å; L153-A156 VanDerWaalsContact O-N 3.1Å; L153-Y157 HydrophobicContact CD1-CD2 3.75Å; L153-Y157 HydrophobicContact CD1-CE2 4.08Å; L153-Y157 HydrophobicContact CG-CD2 4.42Å; L153-Y157 PolarHBondContact O-N 2.94Å; L153-L160 HydrophobicContact CD2-CD1 3.73Å; L153-L160 HydrophobicContact CG-CD1 3.92Å; L153-F298 HydrophobicContact CD2-CB 3.65Å; L153-F298 HydrophobicContact CD2-CG 4.44Å
154V98Very high97.8Very high29 Ų2945.6 Ų45.618%0.17625%0.252CS..Hα-helixtrans-62-35.8178.3170.30000110.8E150 Y157 P158 L160 R162E150-V154 HydrophobicContact CG-CG2 4.32Å; E150-V154 WeakPolarHBondContact O-CB 3.36Å; E150-V154 WeakPolarHBondContact O-CG2 3.49Å; E150-V154 PolarHBondContact O-N 2.96Å; V154-Y157 CarbonylContact O-C 3.26Å; V154-Y157 VanDerWaalsContact O-C 3.25Å; V154-Y157 PolarHBondContact O-N 3.45Å; V154-P158 VanDerWaalsContact O-CA 3.31Å; V154-P158 WeakPolarHBondContact O-CA 3.13Å; V154-L160 HydrophobicContact CG2-CB 4.39Å; V154-R162 HydrophobicContact CB-CG 4.45Å; V154-R162 HydrophobicContact CG1-CG 4.34Å; V154-R162 HydrophobicContact CG2-CG 4.06Å
155S97.9Very high97.8Very high99 Ų9945 Ų4569%0.69225%0.251SS*.Hα-helixtrans-64.8-38.4174.5-58.50000112.4N151 I152 L153N151-S155 WeakPolarHBondContact O-CB 3.34Å; N151-S155 PolarHBondContact O-N 3.26Å; N151-S155 VanDerWaalsContact O-N 3.09Å; N151-S155 PolarHBondContact O-OG 2.96Å; I152-S155 PolarHBondContact O-N 3.35Å; L153-S155 PolarHBondContact O-N 3.11Å
156A98Very high97.7Very high50 Ų5050.6 Ų50.641%0.41328%0.277SS..Hα-helixtrans-78.3-31.417800000113.3F19 I152 L153F19-A156 HydrophobicContact CE1-CB 3.86Å; F19-A156 HydrophobicContact CZ-CB 3.83Å; I152-A156 PolarHBondContact O-N 3.19Å; I152-A156 VanDerWaalsContact O-N 3.1Å; L153-A156 PolarHBondContact O-N 2.9Å; L153-A156 VanDerWaalsContact O-N 3.1Å
157Y98.1Very high97.7Very high34 Ų3456.7 Ų56.713%0.13331%0.309CS..  trans-129.177.8-179.1-60.4-90.1000110.5L8 E15 A16 F19 L153 V154 V159 L160L8-Y157 HydrophobicContact CD1-CD1 4.42Å; L8-Y157 HydrophobicContact CD2-CD1 3.89Å; E15-Y157 WeakPolarHBondContact CB-OH 3.28Å; A16-Y157 HydrophobicContact CB-CD2 4.43Å; A16-Y157 HydrophobicContact CB-CE1 4.16Å; A16-Y157 HydrophobicContact CB-CE2 3.91Å; A16-Y157 PolarHBondContact N-OH 2.98Å; F19-Y157 HydrophobicContact CD1-CE2 4.23Å; F19-Y157 HydrophobicContact CG-CE2 4.45Å; L153-Y157 HydrophobicContact CD1-CD2 3.75Å; L153-Y157 HydrophobicContact CD1-CE2 4.08Å; L153-Y157 HydrophobicContact CG-CD2 4.42Å; L153-Y157 PolarHBondContact O-N 2.94Å; V154-Y157 CarbonylContact O-C 3.26Å; V154-Y157 VanDerWaalsContact O-C 3.25Å; V154-Y157 PolarHBondContact O-N 3.45Å; Y157-V159 PolarHBondContact O-N 3.43Å; Y157-L160 WeakPolarHBondContact O-CB 3.08Å; Y157-L160 PolarHBondContact O-N 2.97Å
158P97Very high97.7Very high108 Ų10856.1 Ų56.170%0.70131%0.307SS*.THydrogen-bonded Turntrans-63.6-6.3-172.3-2535.6000116.2V154 L160V154-P158 VanDerWaalsContact O-CA 3.31Å; V154-P158 WeakPolarHBondContact O-CA 3.13Å; P158-L160 VanDerWaalsContact C-N 3.27Å
159V97.1Very high97.8Very high70 Ų7057.7 Ų57.742%0.42431%0.31SS..THydrogen-bonded Turntrans-73.2-21.2171.968.50000112.3K7 L8 Y157K7-V159 HydrophobicContact CB-CG1 4.26Å; K7-V159 HydrophobicContact CB-CG2 4.02Å; K7-V159 HydrophobicContact CD-CG2 4.31Å; K7-V159 WeakPolarHBondContact CD-O 3.25Å; K7-V159 WeakPolarHBondContact CE-O 3.23Å; K7-V159 HydrophobicContact CG-CG2 4.19Å; K7-V159 PolarHBondContact NZ-O 3.05Å; L8-V159 HydrophobicContact CD2-CG1 3.66Å; Y157-V159 PolarHBondContact O-N 3.43Å
160L97.3Very high97.8Very high3 Ų359.4 Ų59.42%0.01632%0.317CS..SBendtrans-84.5149.2177.1-58.4179.5000110.9K7 L8 L153 V154 Y157 P158 M299K7-L160 HydrophobicContact CB-CD2 4.3Å; K7-L160 HydrophobicContact CD-CD2 4.09Å; L8-L160 HydrophobicContact CD1-CD1 4.36Å; L8-L160 HydrophobicContact CD1-CD2 4.5Å; L153-L160 HydrophobicContact CD2-CD1 3.73Å; L153-L160 HydrophobicContact CG-CD1 3.92Å; V154-L160 HydrophobicContact CG2-CB 4.39Å; Y157-L160 WeakPolarHBondContact O-CB 3.08Å; Y157-L160 PolarHBondContact O-N 2.97Å; P158-L160 VanDerWaalsContact C-N 3.27Å; L160-M299 HydrophobicContact CD1-CG 4.42Å
161N95.8Very high97.8Very high91 Ų9159.5 Ų59.549%0.48732%0.318SS..PPolyproline II helixtrans-100.2153179-63.1-42.8000111.8K7 K163 E300K7-N161 PolarHBondContact NZ-ND2 2.96Å; N161-K163 WeakPolarHBondContact O-CG 3.4Å; N161-K163 PolarHBondContact O-NZ 2.8Å; N161-E300 PolarHBondContact N-OE1 3.01Å
162R96.4Very high97.8Very high149 Ų14957.8 Ų57.856%0.56231%0.31SS*.PPolyproline II helixtrans-73.9141.6161.6-65.9179.963.7-167.3-1.5109.6E150 N151 V154E150-R162 HydrophobicContact CG-CG 4.47Å; E150-R162 IonicContact OE2-NE 3.23Å; N151-R162 PolarHBondContact OD1-NE 3.21Å; V154-R162 HydrophobicContact CB-CG 4.45Å; V154-R162 HydrophobicContact CG1-CG 4.34Å; V154-R162 HydrophobicContact CG2-CG 4.06Å
163K95.7Very high97.8Very high45 Ų4554.8 Ų54.820%0.19629%0.294CS..  trans-138.9-35.2-167.4-49.4175177.768.10112.2E150 N161 F297 F298 E300E150-K163 WeakPolarHBondContact OE1-CA 3.37Å; E150-K163 PolarHBondContact OE1-N 3.47Å; N161-K163 WeakPolarHBondContact O-CG 3.4Å; N161-K163 PolarHBondContact O-NZ 2.8Å; K163-F297 HydrophobicContact CB-CZ 3.93Å; K163-F297 HydrophobicContact CD-CE1 4.38Å; K163-F297 HydrophobicContact CD-CE2 4Å; K163-F297 HydrophobicContact CD-CZ 3.9Å; K163-F298 PolarHBondContact NZ-O 2.99Å; K163-E300 VanDerWaalsContact CE-CD 3.49Å; K163-E300 VanDerWaalsContact CE-OE1 3.28Å; K163-E300 WeakPolarHBondContact CE-OE1 3.34Å; K163-E300 IonicContact NZ-OE1 3.2Å; K163-E300 PolarHBondContact NZ-OE1 2.61Å
164L98.3Very high97.9Very high15 Ų1556.1 Ų56.18%0.07930%0.3CS..  trans-71.1130.8-176.7-68.7-178.7000110.8Y143 M146 K147 E150 V232 F297 F298Y143-L164 HydrophobicContact CE2-CD1 4.36Å; Y143-L164 HydrophobicContact CE2-CD2 4.06Å; M146-L164 HydrophobicContact CB-CD1 3.76Å; K147-L164 HydrophobicContact CG-CB 4.32Å; K147-L164 HydrophobicContact CG-CD1 4.23Å; E150-L164 PolarHBondContact OE1-N 3.25Å; L164-V232 HydrophobicContact CD2-CG1 3.88Å; L164-F297 HydrophobicContact CD2-CE1 3.75Å; L164-F297 HydrophobicContact CD2-CZ 3.92Å; L164-F297 HydrophobicContact CG-CE1 4.17Å; L164-F298 HydrophobicContact CD1-CE1 3.84Å; L164-F298 HydrophobicContact CD1-CZ 3.73Å; L164-F298 HydrophobicContact CG-CE1 4.16Å; L164-F298 HydrophobicContact CG-CZ 4.48Å
165P98.2Very high97.9Very high37 Ų3759.4 Ų59.424%0.2431%0.314CS..  trans-64.3167.5170.427.3-35.4000111.7Y143 N167 A198Y143-P165 WeakPolarHBondContact OH-CD 3.28Å; Y143-P165 VanDerWaalsContact OH-CG 3.28Å; Y143-P165 WeakPolarHBondContact OH-CG 3.4Å; Y143-P165 PolarHBondContact OH-O 3.12Å; P165-N167 VanDerWaalsContact C-N 3.31Å; P165-N167 PolarHBondContact O-N 2.74Å; P165-A198 HydrophobicContact CG-CB 3.7Å
166E97.9Very high97.9Very high121 Ų12154.7 Ų54.757%0.56528%0.281SS*.SBendtrans-63.6-40179.4-171.954.9-128.300111.8K147K147-E166 PolarHBondContact NZ-O 3.49Å; K147-E166 IonicContact NZ-OE1 3.28Å; K147-E166 PolarHBondContact NZ-OE1 3.41Å
167N98.2Very high97.9Very high127 Ų12752.9 Ų52.968%0.67926%0.264SS*.SBendtrans-123.7141.9-177.5-58.2-54.1000110.6P165P165-N167 VanDerWaalsContact C-N 3.31Å; P165-N167 PolarHBondContact O-N 2.74Å
168I98.8Very high97.9Very high15 Ų1555.4 Ų55.48%0.07728%0.279CS..PPolyproline II helixtrans-81.4136.2168.5-168.3166.8000109.6V139 Y143 F170 A198 F200 I230V139-I168 HydrophobicContact CG1-CD1 4.09Å; V139-I168 HydrophobicContact CG1-CG2 4.31Å; Y143-I168 HydrophobicContact CD1-CB 4Å; Y143-I168 HydrophobicContact CD1-CG2 4.29Å; Y143-I168 HydrophobicContact CD2-CB 4.06Å; Y143-I168 HydrophobicContact CD2-CD1 3.87Å; Y143-I168 HydrophobicContact CD2-CG1 4.39Å; Y143-I168 HydrophobicContact CE1-CB 4.08Å; Y143-I168 HydrophobicContact CE2-CB 4.14Å; Y143-I168 HydrophobicContact CE2-CD1 4.25Å; Y143-I168 HydrophobicContact CE2-CG1 4.44Å; Y143-I168 HydrophobicContact CG-CB 3.98Å; Y143-I168 HydrophobicContact CG-CD1 4.37Å; Y143-I168 HydrophobicContact CG-CG2 4.23Å; I168-F170 HydrophobicContact CG2-CE2 4.01Å; I168-F170 HydrophobicContact CG2-CZ 3.95Å; I168-A198 HydrophobicContact CG1-CB 4.25Å; I168-F200 HydrophobicContact CD1-CB 3.92Å; I168-F200 HydrophobicContact CG1-CB 4.29Å; I168-I230 HydrophobicContact CD1-CG1 4.23Å; I168-I230 HydrophobicContact CD1-CG2 4.09Å
169K98.8Very high98Very high90 Ų9053.9 Ų53.939%0.39126%0.264SS..EExtended strand (participates in β ladder)trans-85.4122.8176.9176.360.1179.3166.90110.4Y196 A198 V199 F200K169-Y196 HydrophobicContact CB-CD1 4.22Å; K169-Y196 HydrophobicContact CB-CD2 4.29Å; K169-Y196 HydrophobicContact CB-CG 3.9Å; K169-Y196 HydrophobicContact CD-CD1 4.48Å; K169-Y196 HydrophobicContact CD-CE1 4.38Å; K169-Y196 HydrophobicContact CG-CD1 4.02Å; K169-Y196 HydrophobicContact CG-CD2 3.91Å; K169-Y196 HydrophobicContact CG-CE1 4.22Å; K169-Y196 HydrophobicContact CG-CE2 4.12Å; K169-Y196 HydrophobicContact CG-CG 3.86Å; K169-A198 PolarHBondContact N-O 3.09Å; K169-V199 HydrophobicContact CB-CG2 4.49Å; K169-V199 CarbonylContact O-C 3.59Å; K169-V199 VanDerWaalsContact O-CA 3.23Å; K169-V199 WeakPolarHBondContact O-CA 3.48Å; K169-V199 VanDerWaalsContact O-CG1 3.25Å; K169-V199 WeakPolarHBondContact O-CG1 3.44Å; K169-F200 PolarHBondContact O-N 2.93Å
170F98.9Very high98Very high36 Ų3652.8 Ų52.816%0.15825%0.253CS..EExtended strand (participates in β ladder)trans-82129.5167-63.1-80.3000110.4E136 V139 E140 I168 F200 K202E136-F170 HydrophobicContact CB-CD1 4.33Å; E136-F170 HydrophobicContact CB-CE1 3.79Å; E136-F170 HydrophobicContact CB-CE2 4.23Å; E136-F170 HydrophobicContact CB-CZ 3.73Å; E136-F170 HydrophobicContact CG-CD1 3.61Å; E136-F170 HydrophobicContact CG-CD2 4.45Å; E136-F170 HydrophobicContact CG-CE1 3.54Å; E136-F170 HydrophobicContact CG-CE2 4.38Å; E136-F170 HydrophobicContact CG-CG 4.09Å; E136-F170 HydrophobicContact CG-CZ 3.94Å; V139-F170 HydrophobicContact CB-CE1 3.92Å; V139-F170 HydrophobicContact CB-CZ 4.13Å; V139-F170 HydrophobicContact CG1-CE1 3.71Å; V139-F170 HydrophobicContact CG1-CZ 3.92Å; V139-F170 HydrophobicContact CG2-CE1 4.4Å; E140-F170 HydrophobicContact CG-CE2 4.13Å; E140-F170 HydrophobicContact CG-CZ 3.98Å; I168-F170 HydrophobicContact CG2-CE2 4.01Å; I168-F170 HydrophobicContact CG2-CZ 3.95Å; F170-F200 HydrophobicContact CD1-CB 3.76Å; F170-F200 AromaticContact CD1-CD1 3.75Å; F170-F200 HydrophobicContact CD1-CD1 3.75Å; F170-F200 HydrophobicContact CD1-CG 4.15Å; F170-F200 HydrophobicContact CE1-CB 3.83Å; F170-F200 AromaticContact CE1-CD1 3.83Å; F170-F200 HydrophobicContact CE1-CD1 3.83Å; F170-F200 HydrophobicContact CE1-CG 4.06Å; F170-K202 HydrophobicContact CB-CD 4.34Å; F170-K202 HydrophobicContact CD1-CD 4.31Å
171I98.7Very high98Very high5 Ų556.6 Ų56.63%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-150.3141.6174.2-165.4171.6000109.5E175 L176 M179 V199 F200 L201 K202I171-E175 HydrophobicContact CD1-CB 4.24Å; I171-E175 HydrophobicContact CG1-CB 3.7Å; I171-L176 HydrophobicContact CD1-CB 4.16Å; I171-L176 HydrophobicContact CD1-CD1 4.19Å; I171-M179 HydrophobicContact CD1-SD 3.63Å; I171-V199 HydrophobicContact CB-CG1 4.38Å; I171-V199 HydrophobicContact CG2-CG1 3.29Å; I171-F200 PolarHBondContact N-O 3.41Å; I171-L201 HydrophobicContact CG2-CD1 3.91Å; I171-L201 CarbonylContact O-C 3.59Å; I171-L201 WeakPolarHBondContact O-CA 3.28Å; I171-K202 PolarHBondContact O-N 3.03Å
172T98.8Very high98.1Very high24 Ų2459.6 Ų59.615%0.14729%0.293CS..EExtended strand (participates in β ladder)trans-84155.4173.760.90000111.5Q174 E175 L176 K202T172-Q174 PolarHBondContact O-N 2.85Å; T172-E175 WeakPolarHBondContact CB-OE2 3.43Å; T172-E175 PolarHBondContact N-OE2 2.97Å; T172-E175 PolarHBondContact O-N 3.25Å; T172-E175 WeakPolarHBondContact OG1-CB 3.46Å; T172-E175 VanDerWaalsContact OG1-CD 3.31Å; T172-E175 WeakPolarHBondContact OG1-CG 3.47Å; T172-E175 PolarHBondContact OG1-N 2.85Å; T172-E175 VanDerWaalsContact OG1-N 3.08Å; T172-E175 PolarHBondContact OG1-OE2 2.84Å; T172-L176 WeakPolarHBondContact O-CB 3.41Å; T172-L176 PolarHBondContact O-N 3.22Å; T172-K202 HydrophobicContact CG2-CB 4.2Å
173T98.7Very high98.1Very high0 Ų057 Ų570%029%0.286CS..Hα-helixtrans-54.7-35170.446.90000112.5E177 L201 K202 Q203 I204 L208 H214T173-E177 PolarHBondContact O-N 2.85Å; T173-L201 HydrophobicContact CG2-CD1 4Å; T173-L201 HydrophobicContact CG2-CD2 4.21Å; T173-L201 HydrophobicContact CG2-CG 3.94Å; T173-K202 WeakPolarHBondContact CG2-O 3.25Å; T173-K202 PolarHBondContact N-O 3.38Å; T173-K202 PolarHBondContact OG1-O 2.59Å; T173-Q203 PolarHBondContact OG1-O 3.15Å; T173-I204 HydrophobicContact CG2-CG1 3.89Å; T173-L208 WeakPolarHBondContact OG1-CD2 3.39Å; T173-H214 HydrophobicContact CG2-CB 3.43Å; T173-H214 VanDerWaalsContact CG2-CB 3.43Å
174Q98.6Very high98.2Very high30 Ų3061.9 Ų61.914%0.1431%0.308CS..Hα-helixtrans-71.6-44.5175.8-172.861.867.100113.2T172 L176 E177 D178 L208 K209T172-Q174 PolarHBondContact O-N 2.85Å; Q174-L176 PolarHBondContact O-N 3.34Å; Q174-E177 PolarHBondContact NE2-OE2 2.85Å; Q174-E177 WeakPolarHBondContact O-CB 2.91Å; Q174-E177 PolarHBondContact O-N 3.49Å; Q174-D178 PolarHBondContact NE2-OD1 3.49Å; Q174-D178 VanDerWaalsContact O-CG 3.25Å; Q174-D178 PolarHBondContact O-N 3.38Å; Q174-L208 HydrophobicContact CB-CD2 4.3Å; Q174-K209 HydrophobicContact CG-CD 4.5Å
175E98.6Very high98.2Very high98 Ų9863 Ų6346%0.45832%0.316SS..Hα-helixtrans-60.2-38.5174.9-75165.2134.900110.6I171 T172 D178 M179I171-E175 HydrophobicContact CD1-CB 4.24Å; I171-E175 HydrophobicContact CG1-CB 3.7Å; T172-E175 WeakPolarHBondContact CB-OE2 3.43Å; T172-E175 PolarHBondContact N-OE2 2.97Å; T172-E175 PolarHBondContact O-N 3.25Å; T172-E175 WeakPolarHBondContact OG1-CB 3.46Å; T172-E175 VanDerWaalsContact OG1-CD 3.31Å; T172-E175 WeakPolarHBondContact OG1-CG 3.47Å; T172-E175 PolarHBondContact OG1-N 2.85Å; T172-E175 VanDerWaalsContact OG1-N 3.08Å; T172-E175 PolarHBondContact OG1-OE2 2.84Å; E175-D178 PolarHBondContact O-N 2.88Å; E175-M179 VanDerWaalsContact O-CG 3.29Å; E175-M179 WeakPolarHBondContact O-CG 3.34Å; E175-M179 PolarHBondContact O-N 2.8Å
176L98.2Very high98.1Very high1 Ų165.9 Ų65.91%0.00533%0.333CS..Hα-helixtrans-67.8-37.6177.8-173.561.1000112.2I171 T172 Q174 Y180 R188 A192 L201I171-L176 HydrophobicContact CD1-CB 4.16Å; I171-L176 HydrophobicContact CD1-CD1 4.19Å; T172-L176 WeakPolarHBondContact O-CB 3.41Å; T172-L176 PolarHBondContact O-N 3.22Å; Q174-L176 PolarHBondContact O-N 3.34Å; L176-Y180 HydrophobicContact CD1-CD2 3.72Å; L176-Y180 HydrophobicContact CD1-CE2 3.82Å; L176-Y180 PolarHBondContact O-N 3.1Å; L176-R188 HydrophobicContact CD1-CB 3.95Å; L176-R188 HydrophobicContact CD2-CB 3.73Å; L176-R188 HydrophobicContact CG-CB 3.57Å; L176-A192 HydrophobicContact CD1-CB 3.8Å; L176-L201 HydrophobicContact CB-CD1 4.29Å; L176-L201 HydrophobicContact CD2-CD1 3.68Å; L176-L201 HydrophobicContact CD2-CD2 4.1Å
177E98.4Very high98.2Very high12 Ų1264.1 Ų64.16%0.05632%0.324CS..Hα-helixtrans-62.5-45.4169178167.2-95.600112.2T173 Q174 M179 Y180 P181 R188 L208 S210T173-E177 PolarHBondContact O-N 2.85Å; Q174-E177 PolarHBondContact NE2-OE2 2.85Å; Q174-E177 WeakPolarHBondContact O-CB 2.91Å; Q174-E177 PolarHBondContact O-N 3.49Å; E177-M179 VanDerWaalsContact C-N 3.28Å; E177-M179 PolarHBondContact O-N 3.1Å; E177-Y180 CarbonylContact O-C 3.41Å; E177-Y180 VanDerWaalsContact O-C 3.26Å; E177-Y180 PolarHBondContact O-N 3.36Å; E177-P181 WeakPolarHBondContact O-CA 3.27Å; E177-R188 VanDerWaalsContact CB-NH1 3.27Å; E177-R188 IonicContact OE1-CZ 2.94Å; E177-R188 IonicContact OE1-NH1 2.66Å; E177-R188 PolarHBondContact OE1-NH1 2.98Å; E177-R188 IonicContact OE1-NH2 3.78Å; E177-L208 HydrophobicContact CB-CD1 4.2Å; E177-L208 WeakPolarHBondContact OE2-CB 3.29Å; E177-S210 VanDerWaalsContact OE1-CB 3.24Å; E177-S210 WeakPolarHBondContact OE1-CB 3.2Å; E177-S210 PolarHBondContact OE1-OG 3.5Å; E177-S210 PolarHBondContact OE2-N 3.3Å; E177-S210 PolarHBondContact OE2-OG 2.89Å
178D98.4Very high98.2Very high86 Ų8658.8 Ų58.846%0.4630%0.295SS..Hα-helixtrans-64-34.3-179.8-68.9-14.3000111.4Q174 E175 K209Q174-D178 PolarHBondContact NE2-OD1 3.49Å; Q174-D178 VanDerWaalsContact O-CG 3.25Å; Q174-D178 PolarHBondContact O-N 3.38Å; E175-D178 PolarHBondContact O-N 2.88Å; D178-K209 VanDerWaalsContact CG-NZ 3.25Å; D178-K209 IonicContact OD1-NZ 2.83Å; D178-K209 PolarHBondContact OD1-NZ 2.82Å; D178-K209 IonicContact OD2-NZ 2.72Å; D178-K209 PolarHBondContact OD2-NZ 2.78Å
179M98.1Very high98.2Very high77 Ų7759.5 Ų59.538%0.37930%0.298SS..Hα-helixtrans-71.8-34.7176.2-74.9177.661.600113.4I171 E175 E177I171-M179 HydrophobicContact CD1-SD 3.63Å; E175-M179 VanDerWaalsContact O-CG 3.29Å; E175-M179 WeakPolarHBondContact O-CG 3.34Å; E175-M179 PolarHBondContact O-N 2.8Å; E177-M179 VanDerWaalsContact C-N 3.28Å; E177-M179 PolarHBondContact O-N 3.1Å
180Y97.8Very high98.2Very high47 Ų4758.5 Ų58.518%0.18429%0.292CS..SBendtrans-135.764-173.9-54.9-61.9000111.3L176 E177 D182 K183 R188 L191 Q195L176-Y180 HydrophobicContact CD1-CD2 3.72Å; L176-Y180 HydrophobicContact CD1-CE2 3.82Å; L176-Y180 PolarHBondContact O-N 3.1Å; E177-Y180 CarbonylContact O-C 3.41Å; E177-Y180 VanDerWaalsContact O-C 3.26Å; E177-Y180 PolarHBondContact O-N 3.36Å; Y180-D182 VanDerWaalsContact C-N 3.28Å; Y180-D182 PolarHBondContact O-N 3.42Å; Y180-K183 PolarHBondContact O-N 2.87Å; Y180-K183 VanDerWaalsContact O-N 3.14Å; Y180-R188 HydrophobicContact CD2-CB 4.22Å; Y180-R188 PolarHBondContact O-NE 2.9Å; Y180-R188 VanDerWaalsContact O-NE 3.1Å; Y180-L191 HydrophobicContact CD1-CD1 3.73Å; Y180-L191 HydrophobicContact CD2-CB 4.27Å; Y180-L191 HydrophobicContact CD2-CD1 4.24Å; Y180-L191 HydrophobicContact CE1-CB 4.23Å; Y180-L191 HydrophobicContact CE1-CD1 3.88Å; Y180-L191 HydrophobicContact CE2-CB 3.73Å; Y180-L191 HydrophobicContact CE2-CD1 4.36Å; Y180-L191 HydrophobicContact CG-CD1 3.92Å; Y180-Q195 PolarHBondContact OH-OE1 2.88Å
181P96.9Very high98.2Very high82 Ų8259.3 Ų59.353%0.53230%0.297SS..THydrogen-bonded Turntrans-62.7-34.6-170.223.6-34.3000112.7E177 K183 R188E177-P181 WeakPolarHBondContact O-CA 3.27Å; P181-K183 VanDerWaalsContact C-N 3.29Å; P181-K183 PolarHBondContact O-N 2.7Å; P181-R188 PolarHBondContact O-NH2 3.22Å
182D96.9Very high98.2Very high154 Ų15459.1 Ų59.182%0.82430%0.297SS*.THydrogen-bonded Turntrans-866.4-177.2-54.9-43.2000114Y180Y180-D182 VanDerWaalsContact C-N 3.28Å; Y180-D182 PolarHBondContact O-N 3.42Å
183K97.9Very high98.1Very high94 Ų9458 Ų5841%0.40929%0.29SS..SBendtrans-108.4148.9-177.1-60.2-56.6-177.5-173.80111.5Y180 P181 E187 R188 L191Y180-K183 PolarHBondContact O-N 2.87Å; Y180-K183 VanDerWaalsContact O-N 3.14Å; P181-K183 VanDerWaalsContact C-N 3.29Å; P181-K183 PolarHBondContact O-N 2.7Å; K183-E187 HydrophobicContact CB-CB 4.09Å; K183-R188 HydrophobicContact CB-CG 3.81Å; K183-R188 VanDerWaalsContact O-CZ 3.22Å; K183-R188 PolarHBondContact O-NE 3.45Å; K183-R188 PolarHBondContact O-NH2 2.98Å; K183-L191 HydrophobicContact CG-CD1 4.1Å
184K97.2Very high98.1Very high149 Ų14962.1 Ų62.165%0.64831%0.308SS*.  trans-73.2154.5172.5-65.4-178.5179.5-179.70110.9T186 E187 R188K184-T186 VanDerWaalsContact C-N 3.34Å; K184-T186 PolarHBondContact O-N 2.6Å; K184-T186 VanDerWaalsContact O-N 3.17Å; K184-E187 HydrophobicContact CB-CG 4.28Å; K184-E187 PolarHBondContact N-OE2 3.18Å; K184-E187 WeakPolarHBondContact O-CA 3.27Å; K184-E187 WeakPolarHBondContact O-CB 3.35Å; K184-E187 PolarHBondContact O-N 2.78Å; K184-R188 WeakPolarHBondContact O-CG 3.18Å; K184-R188 PolarHBondContact O-N 3.14Å
185P97.9Very high98.1Very high39 Ų3965.9 Ų65.925%0.25333%0.325SS..Hα-helixtrans-43.4-52-179.4-33.737.6000115.1E187 R188 E189 H214P185-E187 VanDerWaalsContact C-N 3.33Å; P185-E187 PolarHBondContact O-N 2.86Å; P185-R188 WeakPolarHBondContact O-CB 3.34Å; P185-R188 PolarHBondContact O-N 2.96Å; P185-R188 VanDerWaalsContact O-N 3.09Å; P185-E189 WeakPolarHBondContact O-CG 3.38Å; P185-E189 PolarHBondContact O-N 2.85Å; P185-H214 VanDerWaalsContact CB-O 3.24Å; P185-H214 WeakPolarHBondContact CB-O 3.43Å; P185-H214 VanDerWaalsContact CG-O 3.28Å; P185-H214 WeakPolarHBondContact CG-O 3.43Å
186T97.2Very high98.1Very high97 Ų9764.6 Ų64.660%0.59532%0.317SS*.Hα-helixtrans-64.7-32.5179.751.90000113.9K184 Y190K184-T186 VanDerWaalsContact C-N 3.34Å; K184-T186 PolarHBondContact O-N 2.6Å; K184-T186 VanDerWaalsContact O-N 3.17Å; T186-Y190 PolarHBondContact O-N 3.08Å; T186-Y190 VanDerWaalsContact O-N 3.09Å
187E98.3Very high98.1Very high83 Ų8365.6 Ų65.639%0.38833%0.327SS..Hα-helixtrans-71.4-37.8173.9-62176.6131.500110.7K183 K184 P185 Y190 L191K183-E187 HydrophobicContact CB-CB 4.09Å; K184-E187 HydrophobicContact CB-CG 4.28Å; K184-E187 PolarHBondContact N-OE2 3.18Å; K184-E187 WeakPolarHBondContact O-CA 3.27Å; K184-E187 WeakPolarHBondContact O-CB 3.35Å; K184-E187 PolarHBondContact O-N 2.78Å; P185-E187 VanDerWaalsContact C-N 3.33Å; P185-E187 PolarHBondContact O-N 2.86Å; E187-Y190 PolarHBondContact O-N 2.89Å; E187-L191 VanDerWaalsContact O-CG 3.26Å; E187-L191 WeakPolarHBondContact O-CG 3.15Å; E187-L191 PolarHBondContact O-N 2.9Å
188R98.6Very high98.1Very high16 Ų1665 Ų656%0.0632%0.324CS..Hα-helixtrans-64.5-44.4175.9-52.3178.9-176.7156.2-0.3110.8L176 E177 Y180 P181 K183 K184 P185 Y190 L191 A192L176-R188 HydrophobicContact CD1-CB 3.95Å; L176-R188 HydrophobicContact CD2-CB 3.73Å; L176-R188 HydrophobicContact CG-CB 3.57Å; E177-R188 VanDerWaalsContact CB-NH1 3.27Å; E177-R188 IonicContact OE1-CZ 2.94Å; E177-R188 IonicContact OE1-NH1 2.66Å; E177-R188 PolarHBondContact OE1-NH1 2.98Å; E177-R188 IonicContact OE1-NH2 3.78Å; Y180-R188 HydrophobicContact CD2-CB 4.22Å; Y180-R188 PolarHBondContact O-NE 2.9Å; Y180-R188 VanDerWaalsContact O-NE 3.1Å; P181-R188 PolarHBondContact O-NH2 3.22Å; K183-R188 HydrophobicContact CB-CG 3.81Å; K183-R188 VanDerWaalsContact O-CZ 3.22Å; K183-R188 PolarHBondContact O-NE 3.45Å; K183-R188 PolarHBondContact O-NH2 2.98Å; K184-R188 WeakPolarHBondContact O-CG 3.18Å; K184-R188 PolarHBondContact O-N 3.14Å; P185-R188 WeakPolarHBondContact O-CB 3.34Å; P185-R188 PolarHBondContact O-N 2.96Å; P185-R188 VanDerWaalsContact O-N 3.09Å; R188-Y190 PolarHBondContact O-N 3.5Å; R188-L191 PolarHBondContact O-N 2.83Å; R188-A192 WeakPolarHBondContact O-CB 3.1Å; R188-A192 PolarHBondContact O-N 3.14Å
189E98.7Very high98.2Very high29 Ų2961 Ų6114%0.13630%0.303CS..Hα-helixtrans-56.1-49.8174.1-72.7173.1-165.100111.8P185 L191 A192 V193 L201 H214 L231P185-E189 WeakPolarHBondContact O-CG 3.38Å; P185-E189 PolarHBondContact O-N 2.85Å; E189-L191 PolarHBondContact O-N 3.34Å; E189-A192 PolarHBondContact O-N 3.29Å; E189-V193 WeakPolarHBondContact O-CG2 3.18Å; E189-V193 PolarHBondContact O-N 3.4Å; E189-L201 HydrophobicContact CG-CD2 3.89Å; E189-H214 IonicContact OE1-CD2 3.35Å; E189-H214 IonicContact OE1-CE1 2.71Å; E189-H214 IonicContact OE1-NE2 3.45Å; E189-H214 PolarHBondContact OE1-NE2 3.32Å; E189-L231 HydrophobicContact CB-CD1 3.96Å; E189-L231 HydrophobicContact CG-CD1 3.63Å
190Y98.7Very high98.2Very high70 Ų7057.3 Ų57.328%0.27529%0.285SS..Hα-helixtrans-55.8-48.7176.5170.5-100.3000111.8T186 E187 R188 A192 V193 K194 Y233 D238T186-Y190 PolarHBondContact O-N 3.08Å; T186-Y190 VanDerWaalsContact O-N 3.09Å; E187-Y190 PolarHBondContact O-N 2.89Å; R188-Y190 PolarHBondContact O-N 3.5Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; Y190-A192 PolarHBondContact O-N 3.37Å; Y190-V193 WeakPolarHBondContact O-CG2 3.21Å; Y190-V193 PolarHBondContact O-N 2.79Å; Y190-K194 HydrophobicContact CE2-CD 4.46Å; Y190-K194 WeakPolarHBondContact O-CB 3.28Å; Y190-K194 PolarHBondContact O-N 3.39Å; Y190-K194 PolarHBondContact OH-NZ 3.34Å; Y190-Y233 HydrophobicContact CE2-CE2 4.37Å; Y190-D238 WeakPolarHBondContact CE2-O 3.47Å; Y190-D238 VanDerWaalsContact CE2-OD1 3.31Å; Y190-D238 WeakPolarHBondContact CE2-OD1 3.32Å; Y190-D238 VanDerWaalsContact OH-CG 3.28Å; Y190-D238 PolarHBondContact OH-OD1 3.1Å; Y190-D238 PolarHBondContact OH-OD2 3.31Å
191L98.7Very high98.3Very high52 Ų5255.1 Ų55.127%0.27228%0.276SS..Hα-helixtrans-62-40.5178.9-69.7168.9000111.9Y180 K183 E187 R188 E189 K194 Q195Y180-L191 HydrophobicContact CD1-CD1 3.73Å; Y180-L191 HydrophobicContact CD2-CB 4.27Å; Y180-L191 HydrophobicContact CD2-CD1 4.24Å; Y180-L191 HydrophobicContact CE1-CB 4.23Å; Y180-L191 HydrophobicContact CE1-CD1 3.88Å; Y180-L191 HydrophobicContact CE2-CB 3.73Å; Y180-L191 HydrophobicContact CE2-CD1 4.36Å; Y180-L191 HydrophobicContact CG-CD1 3.92Å; K183-L191 HydrophobicContact CG-CD1 4.1Å; E187-L191 VanDerWaalsContact O-CG 3.26Å; E187-L191 WeakPolarHBondContact O-CG 3.15Å; E187-L191 PolarHBondContact O-N 2.9Å; R188-L191 PolarHBondContact O-N 2.83Å; E189-L191 PolarHBondContact O-N 3.34Å; L191-K194 PolarHBondContact O-N 2.87Å; L191-Q195 WeakPolarHBondContact O-CB 3.41Å; L191-Q195 PolarHBondContact O-N 3.28Å
192A98.7Very high98.3Very high2 Ų251.9 Ų51.92%0.01725%0.254CS..Hα-helixtrans-63.7-50.8177.700000111.7L176 R188 E189 Y190 K194 Q195 Y196 V199L176-A192 HydrophobicContact CD1-CB 3.8Å; R188-A192 WeakPolarHBondContact O-CB 3.1Å; R188-A192 PolarHBondContact O-N 3.14Å; E189-A192 PolarHBondContact O-N 3.29Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; Y190-A192 PolarHBondContact O-N 3.37Å; A192-K194 VanDerWaalsContact C-N 3.31Å; A192-K194 PolarHBondContact O-N 3.43Å; A192-Q195 PolarHBondContact O-N 3.48Å; A192-Y196 WeakPolarHBondContact O-CD2 3.19Å; A192-Y196 PolarHBondContact O-N 3.14Å; A192-V199 HydrophobicContact CB-CG2 4.15Å
193V98.7Very high98.4Very high0 Ų045.8 Ų45.80%022%0.221CC..Hα-helixtrans-67.8-33.6179.1-58.30000111.6E189 Y190 Q195 Y196 G197 V199 L231 Y233 C240E189-V193 WeakPolarHBondContact O-CG2 3.18Å; E189-V193 PolarHBondContact O-N 3.4Å; Y190-V193 WeakPolarHBondContact O-CG2 3.21Å; Y190-V193 PolarHBondContact O-N 2.79Å; V193-Q195 PolarHBondContact O-N 3.26Å; V193-Y196 PolarHBondContact O-N 3.46Å; V193-G197 WeakPolarHBondContact O-CA 3.5Å; V193-G197 PolarHBondContact O-N 2.77Å; V193-V199 HydrophobicContact CG1-CB 4.41Å; V193-V199 HydrophobicContact CG1-CG2 3.98Å; V193-L231 HydrophobicContact CG1-CB 3.55Å; V193-Y233 HydrophobicContact CG2-CD2 4.3Å; V193-Y233 VanDerWaalsContact O-CB 3.3Å; V193-Y233 WeakPolarHBondContact O-CB 3.34Å; V193-C240 HydrophobicContact CG2-CB 3.84Å
194K98.3Very high98.4Very high87 Ų8741.3 Ų41.338%0.37820%0.201SC..Hα-helixtrans-61.7-35.3174.2-169.573.6171.4-159.60111.8Y190 L191 A192 Y233 D238Y190-K194 HydrophobicContact CE2-CD 4.46Å; Y190-K194 WeakPolarHBondContact O-CB 3.28Å; Y190-K194 PolarHBondContact O-N 3.39Å; Y190-K194 PolarHBondContact OH-NZ 3.34Å; L191-K194 PolarHBondContact O-N 2.87Å; A192-K194 VanDerWaalsContact C-N 3.31Å; A192-K194 PolarHBondContact O-N 3.43Å; K194-Y233 HydrophobicContact CD-CD2 4.09Å; K194-Y233 HydrophobicContact CD-CE1 3.98Å; K194-Y233 HydrophobicContact CD-CE2 3.49Å; K194-Y233 VanDerWaalsContact CD-CE2 3.49Å; K194-Y233 VanDerWaalsContact CD-CZ 3.47Å; K194-Y233 PolarHBondContact NZ-OH 3.34Å; K194-D238 IonicContact NZ-OD1 2.65Å; K194-D238 PolarHBondContact NZ-OD1 3.3Å; K194-D238 IonicContact NZ-OD2 3.57Å; K194-D238 PolarHBondContact NZ-OD2 2.86Å
195Q98.1Very high98.4Very high108 Ų10834.5 Ų34.551%0.50517%0.173SC..Hα-helixtrans-79.1-43.7178.4179.6174.3-17.700112.9Y180 L191 A192 V193Y180-Q195 PolarHBondContact OH-OE1 2.88Å; L191-Q195 WeakPolarHBondContact O-CB 3.41Å; L191-Q195 PolarHBondContact O-N 3.28Å; A192-Q195 PolarHBondContact O-N 3.48Å; V193-Q195 PolarHBondContact O-N 3.26Å
196Y98.4Very high98.2Very high72 Ų7235.4 Ų35.428%0.28217%0.173SC..Hα-helixtrans-106.8-10.5-168.6-60.7-66.8000114.5K169 A192 V193 A198 V199K169-Y196 HydrophobicContact CB-CD1 4.22Å; K169-Y196 HydrophobicContact CB-CD2 4.29Å; K169-Y196 HydrophobicContact CB-CG 3.9Å; K169-Y196 HydrophobicContact CD-CD1 4.48Å; K169-Y196 HydrophobicContact CD-CE1 4.38Å; K169-Y196 HydrophobicContact CG-CD1 4.02Å; K169-Y196 HydrophobicContact CG-CD2 3.91Å; K169-Y196 HydrophobicContact CG-CE1 4.22Å; K169-Y196 HydrophobicContact CG-CE2 4.12Å; K169-Y196 HydrophobicContact CG-CG 3.86Å; A192-Y196 WeakPolarHBondContact O-CD2 3.19Å; A192-Y196 PolarHBondContact O-N 3.14Å; V193-Y196 PolarHBondContact O-N 3.46Å; Y196-A198 PolarHBondContact O-N 3.07Å; Y196-V199 HydrophobicContact CD2-CG2 4.19Å
197G98.5Very high98.2Very high21 Ų2135.7 Ų35.722%0.21617%0.17CC..SBendtrans77.3-45.4-175.400000113.8V193 Y233V193-G197 WeakPolarHBondContact O-CA 3.5Å; V193-G197 PolarHBondContact O-N 2.77Å; G197-Y233 PolarHBondContact O-N 2.93Å
198A98.8Very high98.1Very high0 Ų032 Ų320%015%0.154CC..EExtended strand (participates in β ladder)trans-144.6137.8175.600000111.3Y143 P165 I168 K169 Y196 L231 V232Y143-A198 HydrophobicContact CE2-CB 3.76Å; Y143-A198 WeakPolarHBondContact OH-CB 2.89Å; P165-A198 HydrophobicContact CG-CB 3.7Å; I168-A198 HydrophobicContact CG1-CB 4.25Å; K169-A198 PolarHBondContact N-O 3.09Å; Y196-A198 PolarHBondContact O-N 3.07Å; A198-L231 WeakPolarHBondContact CA-O 3.37Å; A198-V232 HydrophobicContact CB-CG1 4.2Å
199V98.9Very high98Very high1 Ų138 Ų381%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-137.8139.1-174.2-168.30000109.5K169 I171 A192 V193 Y196 L231K169-V199 HydrophobicContact CB-CG2 4.49Å; K169-V199 CarbonylContact O-C 3.59Å; K169-V199 VanDerWaalsContact O-CA 3.23Å; K169-V199 WeakPolarHBondContact O-CA 3.48Å; K169-V199 VanDerWaalsContact O-CG1 3.25Å; K169-V199 WeakPolarHBondContact O-CG1 3.44Å; I171-V199 HydrophobicContact CB-CG1 4.38Å; I171-V199 HydrophobicContact CG2-CG1 3.29Å; A192-V199 HydrophobicContact CB-CG2 4.15Å; V193-V199 HydrophobicContact CG1-CB 4.41Å; V193-V199 HydrophobicContact CG1-CG2 3.98Å; Y196-V199 HydrophobicContact CD2-CG2 4.19Å; V199-L231 PolarHBondContact N-O 2.58Å; V199-L231 PolarHBondContact O-N 3.06Å
200F98.9Very high97.9Very high0 Ų039.2 Ų39.20%019%0.191CC..EExtended strand (participates in β ladder)trans-99.5105.3160.9-173.1-108.3000108.4L135 V139 I168 K169 F170 I171 K202 G228 D229 I230 M246L135-F200 HydrophobicContact CD1-CE1 4.21Å; L135-F200 HydrophobicContact CD1-CZ 4.05Å; L135-F200 HydrophobicContact CD2-CE1 3.91Å; L135-F200 HydrophobicContact CD2-CZ 4.44Å; L135-F200 HydrophobicContact CG-CE1 3.95Å; L135-F200 HydrophobicContact CG-CZ 4.3Å; V139-F200 HydrophobicContact CB-CD2 4.44Å; V139-F200 HydrophobicContact CB-CG 4.46Å; V139-F200 HydrophobicContact CG1-CB 3.92Å; V139-F200 HydrophobicContact CG1-CD1 4.43Å; V139-F200 HydrophobicContact CG1-CD2 3.8Å; V139-F200 HydrophobicContact CG1-CE2 4.44Å; V139-F200 HydrophobicContact CG1-CG 3.78Å; V139-F200 HydrophobicContact CG2-CD1 3.94Å; V139-F200 HydrophobicContact CG2-CD2 3.7Å; V139-F200 HydrophobicContact CG2-CE1 3.74Å; V139-F200 HydrophobicContact CG2-CE2 3.51Å; V139-F200 HydrophobicContact CG2-CG 3.91Å; V139-F200 HydrophobicContact CG2-CZ 3.53Å; I168-F200 HydrophobicContact CD1-CB 3.92Å; I168-F200 HydrophobicContact CG1-CB 4.29Å; K169-F200 PolarHBondContact O-N 2.93Å; F170-F200 HydrophobicContact CD1-CB 3.76Å; F170-F200 AromaticContact CD1-CD1 3.75Å; F170-F200 HydrophobicContact CD1-CD1 3.75Å; F170-F200 HydrophobicContact CD1-CG 4.15Å; F170-F200 HydrophobicContact CE1-CB 3.83Å; F170-F200 AromaticContact CE1-CD1 3.83Å; F170-F200 HydrophobicContact CE1-CD1 3.83Å; F170-F200 HydrophobicContact CE1-CG 4.06Å; I171-F200 PolarHBondContact N-O 3.41Å; F200-K202 HydrophobicContact CD1-CD 4.3Å; F200-K202 HydrophobicContact CD1-CG 3.5Å; F200-K202 VanDerWaalsContact CD1-CG 3.5Å; F200-K202 HydrophobicContact CE1-CG 3.71Å; F200-K202 PolarHBondContact O-N 3.28Å; F200-G228 VanDerWaalsContact CE2-C 3.4Å; F200-G228 WeakPolarHBondContact CE2-O 3.3Å; F200-G228 VanDerWaalsContact CZ-CA 3.44Å; F200-D229 CarbonylContact C-O 3.58Å; F200-D229 VanDerWaalsContact CA-O 3.28Å; F200-D229 WeakPolarHBondContact CA-O 3.39Å; F200-D229 WeakPolarHBondContact CD2-O 3.31Å; F200-I230 HydrophobicContact CD2-CG1 3.76Å; F200-I230 HydrophobicContact CE2-CG1 4.29Å; F200-M246 HydrophobicContact CE2-CG 3.72Å; F200-M246 HydrophobicContact CE2-SD 4.15Å; F200-M246 HydrophobicContact CZ-CG 3.95Å
201L98.9Very high97.7Very high1 Ų141.9 Ų41.91%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-85.6108.2-178.6-178.460.8000109.7I171 T173 L176 E189 I204 H214 G228 D229 L231I171-L201 HydrophobicContact CG2-CD1 3.91Å; I171-L201 CarbonylContact O-C 3.59Å; I171-L201 WeakPolarHBondContact O-CA 3.28Å; T173-L201 HydrophobicContact CG2-CD1 4Å; T173-L201 HydrophobicContact CG2-CD2 4.21Å; T173-L201 HydrophobicContact CG2-CG 3.94Å; L176-L201 HydrophobicContact CB-CD1 4.29Å; L176-L201 HydrophobicContact CD2-CD1 3.68Å; L176-L201 HydrophobicContact CD2-CD2 4.1Å; E189-L201 HydrophobicContact CG-CD2 3.89Å; L201-I204 HydrophobicContact CB-CD1 4.46Å; L201-I204 HydrophobicContact CD2-CD1 4.34Å; L201-I204 HydrophobicContact CG-CD1 4.28Å; L201-I204 HydrophobicContact CG-CG1 4.45Å; L201-I204 WeakPolarHBondContact O-CD1 3.35Å; L201-H214 WeakPolarHBondContact CD2-NE2 3.5Å; L201-G228 CarbonylContact O-C 3.35Å; L201-G228 WeakPolarHBondContact O-CA 3.48Å; L201-D229 PolarHBondContact N-O 3.36Å; L201-D229 PolarHBondContact O-N 3.36Å; L201-L231 HydrophobicContact CB-CD1 3.96Å; L201-L231 HydrophobicContact CD2-CD1 4.03Å
202K98.8Very high97.5Very high15 Ų1543.1 Ų43.17%0.06522%0.22CC..EExtended strand (participates in β ladder)trans-89.4155.3-172.1-59.3171.463.8177.90112.6D132 E136 F170 I171 T172 T173 F200 N227D132-K202 VanDerWaalsContact CG-NZ 3.35Å; D132-K202 WeakPolarHBondContact OD1-CE 3.31Å; D132-K202 IonicContact OD1-NZ 2.91Å; D132-K202 PolarHBondContact OD1-NZ 2.84Å; E136-K202 IonicContact OE1-NZ 2.74Å; E136-K202 PolarHBondContact OE1-NZ 3.43Å; F170-K202 HydrophobicContact CB-CD 4.34Å; F170-K202 HydrophobicContact CD1-CD 4.31Å; I171-K202 PolarHBondContact O-N 3.03Å; T172-K202 HydrophobicContact CG2-CB 4.2Å; T173-K202 WeakPolarHBondContact CG2-O 3.25Å; T173-K202 PolarHBondContact N-O 3.38Å; T173-K202 PolarHBondContact OG1-O 2.59Å; F200-K202 HydrophobicContact CD1-CD 4.3Å; F200-K202 HydrophobicContact CD1-CG 3.5Å; F200-K202 VanDerWaalsContact CD1-CG 3.5Å; F200-K202 HydrophobicContact CE1-CG 3.71Å; F200-K202 PolarHBondContact O-N 3.28Å; K202-N227 CarbonylContact C-O 3.54Å; K202-N227 VanDerWaalsContact CA-O 3.27Å; K202-N227 WeakPolarHBondContact CA-O 3.48Å
203Q98.4Very high97.4Very high26 Ų2645.9 Ų45.912%0.12123%0.234CC..  trans67.452.9171.1-54.4-173.6-15.900114.2T173 K206 W224 E225 N227T173-Q203 PolarHBondContact OG1-O 3.15Å; Q203-K206 HydrophobicContact CB-CB 4.36Å; Q203-K206 HydrophobicContact CB-CD 4.21Å; Q203-W224 WeakPolarHBondContact CA-O 3.2Å; Q203-W224 WeakPolarHBondContact CB-O 3.42Å; Q203-E225 PolarHBondContact NE2-O 2.98Å; Q203-E225 PolarHBondContact NE2-OE2 2.96Å; Q203-N227 WeakPolarHBondContact CA-OD1 3.39Å; Q203-N227 PolarHBondContact N-O 2.84Å; Q203-N227 PolarHBondContact N-OD1 3.01Å
204I97.8Very high97.3Very high0 Ų046.3 Ų46.30%024%0.236CC..THydrogen-bonded Turntrans-88131.6178.5-59.4175.7000109.3T173 L201 D215 R217 N227 D229T173-I204 HydrophobicContact CG2-CG1 3.89Å; L201-I204 HydrophobicContact CB-CD1 4.46Å; L201-I204 HydrophobicContact CD2-CD1 4.34Å; L201-I204 HydrophobicContact CG-CD1 4.28Å; L201-I204 HydrophobicContact CG-CG1 4.45Å; L201-I204 WeakPolarHBondContact O-CD1 3.35Å; I204-D215 HydrophobicContact CG2-CB 3.94Å; I204-R217 VanDerWaalsContact CG2-NH2 3.34Å; I204-N227 PolarHBondContact N-OD1 3.43Å; I204-N227 PolarHBondContact O-ND2 3.28Å; I204-N227 PolarHBondContact O-OD1 2.96Å; I204-D229 HydrophobicContact CD1-CB 3.8Å; I204-D229 WeakPolarHBondContact CD1-OD2 3.43Å
205G96.1Very high97.2Very high6 Ų646 Ų466%0.06224%0.239CC..THydrogen-bonded Turntrans98.5-16.4-170.200000114.2I213 D215G205-I213 WeakPolarHBondContact O-CG2 3.36Å; G205-D215 WeakPolarHBondContact CA-O 3.48Å; G205-D215 PolarHBondContact N-O 2.88Å
206K95.5Very high97Very high57 Ų5745.5 Ų45.525%0.24824%0.239CC..SBendtrans-75.8141.7177.7-175.2177.8178174.80111.9Q203 L208 W224 E225Q203-K206 HydrophobicContact CB-CB 4.36Å; Q203-K206 HydrophobicContact CB-CD 4.21Å; K206-L208 PolarHBondContact O-N 3.3Å; K206-W224 HydrophobicContact CB-CB 4.35Å; K206-E225 WeakPolarHBondContact CD-OE1 3.38Å; K206-E225 WeakPolarHBondContact CE-OE1 3.29Å; K206-E225 VanDerWaalsContact NZ-CD 3.31Å; K206-E225 IonicContact NZ-OE1 3.45Å; K206-E225 PolarHBondContact NZ-OE1 2.91Å; K206-E225 VanDerWaalsContact NZ-OE1 3.12Å; K206-E225 IonicContact NZ-OE2 2.92Å; K206-E225 PolarHBondContact NZ-OE2 3.49Å
207L95.4Very high96.8Very high103 Ų10343.7 Ų43.754%0.53923%0.232SC..BIsolated β-bridgetrans-68.6126.5173.5-162.172.8000110.8N211 I213L207-N211 VanDerWaalsContact CD1-C 3.47Å; L207-N211 WeakPolarHBondContact CD1-O 3.47Å; L207-I213 HydrophobicContact CD1-CG2 4.26Å
208L97.1Very high96.5Very high7 Ų742.8 Ų42.84%0.03722%0.222CC..PPolyproline II helixtrans-88.5171.2177.9-51.4-178.1000111.4T173 Q174 E177 K206 S210 N211 T212 H214T173-L208 WeakPolarHBondContact OG1-CD2 3.39Å; Q174-L208 HydrophobicContact CB-CD2 4.3Å; E177-L208 HydrophobicContact CB-CD1 4.2Å; E177-L208 WeakPolarHBondContact OE2-CB 3.29Å; K206-L208 PolarHBondContact O-N 3.3Å; L208-S210 PolarHBondContact O-N 3.08Å; L208-S210 VanDerWaalsContact O-N 3.12Å; L208-N211 WeakPolarHBondContact O-CA 3.43Å; L208-N211 PolarHBondContact O-N 2.74Å; L208-T212 VanDerWaalsContact CB-O 3.27Å; L208-T212 WeakPolarHBondContact CB-O 3.45Å; L208-T212 WeakPolarHBondContact CG-O 3.07Å; L208-T212 PolarHBondContact N-O 3.01Å; L208-H214 HydrophobicContact CD1-CB 4.22Å
209K96.9Very high96.4Very high142 Ų14243.1 Ų43.162%0.61722%0.224SC*.THydrogen-bonded Turntrans-55.9-27.7175.6-71174.1-160.3156.60112.8Q174 D178 N211Q174-K209 HydrophobicContact CG-CD 4.5Å; D178-K209 VanDerWaalsContact CG-NZ 3.25Å; D178-K209 IonicContact OD1-NZ 2.83Å; D178-K209 PolarHBondContact OD1-NZ 2.82Å; D178-K209 IonicContact OD2-NZ 2.72Å; D178-K209 PolarHBondContact OD2-NZ 2.78Å; K209-N211 PolarHBondContact O-N 2.92Å
210S95.7Very high96.2Very high53 Ų5343 Ų4337%0.37122%0.224SC..THydrogen-bonded Turntrans-69.1-2.7173580000114.6E177 L208 T212E177-S210 VanDerWaalsContact OE1-CB 3.24Å; E177-S210 WeakPolarHBondContact OE1-CB 3.2Å; E177-S210 PolarHBondContact OE1-OG 3.5Å; E177-S210 PolarHBondContact OE2-N 3.3Å; E177-S210 PolarHBondContact OE2-OG 2.89Å; L208-S210 PolarHBondContact O-N 3.08Å; L208-S210 VanDerWaalsContact O-N 3.12Å; S210-T212 PolarHBondContact O-N 2.98Å; S210-T212 PolarHBondContact OG-OG1 3.24Å
211N95.4Very high96.1Very high126 Ų12644 Ų4467%0.67423%0.228SC*.SBendtrans57.426.6-168.4-62.2-56.9000113.4L207 L208 K209L207-N211 VanDerWaalsContact CD1-C 3.47Å; L207-N211 WeakPolarHBondContact CD1-O 3.47Å; L208-N211 WeakPolarHBondContact O-CA 3.43Å; L208-N211 PolarHBondContact O-N 2.74Å; K209-N211 PolarHBondContact O-N 2.92Å
212T94.8Very high95.9Very high78 Ų7844 Ų4448%0.47923%0.228SC..SBendtrans-121.7154.8168.462.60000109.5L208 S210L208-T212 VanDerWaalsContact CB-O 3.27Å; L208-T212 WeakPolarHBondContact CB-O 3.45Å; L208-T212 WeakPolarHBondContact CG-O 3.07Å; L208-T212 PolarHBondContact N-O 3.01Å; S210-T212 PolarHBondContact O-N 2.98Å; S210-T212 PolarHBondContact OG-OG1 3.24Å
213I95.7Very high95.9Very high61 Ų6143.9 Ų43.931%0.31323%0.228SC..BIsolated β-bridgetrans-84.9154.6169.162.2-179.9000109.3G205 L207 N216G205-I213 WeakPolarHBondContact O-CG2 3.36Å; L207-I213 HydrophobicContact CD1-CG2 4.26Å; I213-N216 WeakPolarHBondContact CD1-OD1 3.38Å
214H97.5Very high95.9Very high8 Ų843.8 Ų43.84%0.03723%0.227CC..SBendtrans-67.4-49.9174-176.991.2000111.7T173 P185 E189 L201 L208T173-H214 HydrophobicContact CG2-CB 3.43Å; T173-H214 VanDerWaalsContact CG2-CB 3.43Å; P185-H214 VanDerWaalsContact CB-O 3.24Å; P185-H214 WeakPolarHBondContact CB-O 3.43Å; P185-H214 VanDerWaalsContact CG-O 3.28Å; P185-H214 WeakPolarHBondContact CG-O 3.43Å; E189-H214 IonicContact OE1-CD2 3.35Å; E189-H214 IonicContact OE1-CE1 2.71Å; E189-H214 IonicContact OE1-NE2 3.45Å; E189-H214 PolarHBondContact OE1-NE2 3.32Å; L201-H214 WeakPolarHBondContact CD2-NE2 3.5Å; L208-H214 HydrophobicContact CD1-CB 4.22Å
215D95.9Very high95.9Very high82 Ų8246.7 Ų46.744%0.43924%0.24SC..SBendtrans-152.5160.2173.7-167.918.6000109.5I204 G205I204-D215 HydrophobicContact CG2-CB 3.94Å; G205-D215 WeakPolarHBondContact CA-O 3.48Å; G205-D215 PolarHBondContact N-O 2.88Å
216N92.7Very high96Very high96 Ų9647.2 Ų47.251%0.51324%0.241SC..  trans-66140.9178.2-89.7-33.6000111.4I213I213-N216 WeakPolarHBondContact CD1-OD1 3.38Å
217R94.3Very high96.2Very high35 Ų3544.5 Ų44.513%0.13223%0.23CC..  trans-144.2138.9171.1-161.970.273.1-178.46.8110I204 D222 D229 S245I204-R217 VanDerWaalsContact CG2-NH2 3.34Å; R217-D222 HydrophobicContact CG-CB 4.43Å; R217-D229 IonicContact CZ-OD1 3.27Å; R217-D229 IonicContact CZ-OD2 2.77Å; R217-D229 IonicContact NH1-OD1 2.62Å; R217-D229 IonicContact NH2-OD1 2.81Å; R217-D229 PolarHBondContact NH2-OD1 2.94Å; R217-D229 IonicContact NH2-OD2 3.49Å; R217-D229 PolarHBondContact NH2-OD2 2.87Å; R217-S245 PolarHBondContact NH1-OG 3.21Å; R217-S245 VanDerWaalsContact NH1-OG 3.08Å
218A94Very high96.3Very high1 Ų139.6 Ų39.61%0.00820%0.204CC..  trans-62.5146.5178.600000110.8D220 Y221 W224A218-D220 VanDerWaalsContact C-N 3.34Å; A218-D220 PolarHBondContact O-N 2.81Å; A218-Y221 HydrophobicContact CB-CD1 3.85Å; A218-Y221 HydrophobicContact CB-CE1 3.23Å; A218-W224 PolarHBondContact O-NE1 2.87Å; A218-W224 VanDerWaalsContact O-NE1 3.14Å
219P95.4Very high96.4Very high7 Ų739.5 Ų39.55%0.04520%0.203CC..THydrogen-bonded Turntrans-81.4-8.2-174.933-38.7000114.4W224 Q258 L259 S262 C264P219-W224 HydrophobicContact CB-CH2 4.28Å; P219-W224 HydrophobicContact CB-CZ2 3.76Å; P219-Q258 HydrophobicContact CB-CB 3.95Å; P219-Q258 WeakPolarHBondContact O-CB 3.3Å; P219-Q258 PolarHBondContact O-NE2 3.19Å; P219-L259 HydrophobicContact CB-CD2 4.14Å; P219-L259 HydrophobicContact CG-CD2 3.86Å; P219-S262 WeakPolarHBondContact CB-OG 3.48Å; P219-S262 WeakPolarHBondContact CG-OG 3.48Å; P219-C264 HydrophobicContact CG-CB 4.19Å
220D96Very high96.5Very high0 Ų032.8 Ų32.80%017%0.174CC..THydrogen-bonded Turntrans-1215.2-159.960-5.5000115.8K78 A218 V250 M255 L259 R267 Y272 H273K78-D220 IonicContact NZ-OD2 3.53Å; K78-D220 PolarHBondContact NZ-OD2 2.92Å; A218-D220 VanDerWaalsContact C-N 3.34Å; A218-D220 PolarHBondContact O-N 2.81Å; D220-V250 WeakPolarHBondContact O-CG2 3.39Å; D220-M255 HydrophobicContact CB-CE 4.49Å; D220-L259 HydrophobicContact CB-CD2 4.32Å; D220-R267 IonicContact OD1-NH1 3.66Å; D220-R267 IonicContact OD2-NH1 3.81Å; D220-R267 PolarHBondContact OD2-NH1 2.96Å; D220-Y272 WeakPolarHBondContact O-CE1 3.17Å; D220-H273 VanDerWaalsContact CB-NE2 3.28Å; D220-H273 WeakPolarHBondContact CB-NE2 3.49Å; D220-H273 IonicContact OD2-CE1 3.72Å; D220-H273 PolarHBondContact OD2-CE1 3.27Å; D220-H273 IonicContact OD2-NE2 2.73Å; D220-H273 PolarHBondContact OD2-NE2 2.72Å
221Y95.5Very high96.7Very high20 Ų2030.4 Ų30.48%0.07816%0.157CC..THydrogen-bonded Turntrans-128.4-45.3168.659.5-102.1000113.8D51 A77 A218 R249 V250D51-Y221 WeakPolarHBondContact OD1-CE1 3.37Å; A77-Y221 HydrophobicContact CB-CD1 3.76Å; A77-Y221 HydrophobicContact CB-CD2 4.08Å; A77-Y221 HydrophobicContact CB-CE1 4.06Å; A77-Y221 HydrophobicContact CB-CE2 4.45Å; A77-Y221 HydrophobicContact CB-CG 3.76Å; A218-Y221 HydrophobicContact CB-CD1 3.85Å; A218-Y221 HydrophobicContact CB-CE1 3.23Å; Y221-R249 CarbonylContact O-C 3.49Å; Y221-R249 WeakPolarHBondContact O-CA 3.47Å; Y221-R249 WeakPolarHBondContact O-CB 3.18Å; Y221-R249 WeakPolarHBondContact O-CD 3.48Å; Y221-V250 PolarHBondContact O-N 3.21Å
222D95.9Very high96.8Very high2 Ų224.4 Ų24.41%0.01113%0.125CC..EExtended strand (participates in β ladder)trans-98.1135.6-179.5-84.7-27.1000112.4R217 W224 N227 G247 R249 V250 Q258R217-D222 HydrophobicContact CG-CB 4.43Å; D222-W224 PolarHBondContact O-N 3.48Å; D222-N227 HydrophobicContact CB-CB 3.94Å; D222-G247 WeakPolarHBondContact OD1-CA 3.19Å; D222-R249 IonicContact OD1-CZ 3.97Å; D222-R249 IonicContact OD1-NH1 3.29Å; D222-R249 PolarHBondContact OD1-NH1 2.81Å; D222-R249 IonicContact OD2-NH1 2.86Å; D222-V250 VanDerWaalsContact C-CG1 3.49Å; D222-V250 VanDerWaalsContact O-CG1 3.26Å; D222-V250 WeakPolarHBondContact O-CG1 3.35Å; D222-Q258 PolarHBondContact O-NE2 3.44Å
223D98.3Very high97Very high12 Ų1222.3 Ų22.36%0.06411%0.109CC..EExtended strand (participates in β ladder)trans-75.2116165.8-168.5-26.8000108.3R130 E225 L226 N227 I248 S254 R257R130-D223 IonicContact NH2-OD2 3.63Å; R130-D223 PolarHBondContact NH2-OD2 2.88Å; D223-E225 PolarHBondContact O-N 2.86Å; D223-E225 PolarHBondContact OD1-N 2.91Å; D223-L226 HydrophobicContact CB-CB 4.32Å; D223-L226 CarbonylContact O-C 3.53Å; D223-L226 PolarHBondContact O-N 3.04Å; D223-N227 WeakPolarHBondContact O-CB 3.46Å; D223-N227 PolarHBondContact O-N 3.09Å; D223-I248 WeakPolarHBondContact CB-O 3.17Å; D223-I248 PolarHBondContact N-O 2.6Å; D223-S254 WeakPolarHBondContact OD2-CB 3.39Å; D223-S254 PolarHBondContact OD2-OG 2.84Å; D223-R257 IonicContact OD1-NH2 3.85Å; D223-R257 PolarHBondContact OD1-NH2 3.02Å
224W97.8Very high97.1Very high24 Ų2419.6 Ų19.69%0.09110%0.095CC..EExtended strand (participates in β ladder)trans-65.7-10.7-175.5-53.9-28.7000113.4Q203 K206 A218 P219 D222 Q258 E261Q203-W224 WeakPolarHBondContact CA-O 3.2Å; Q203-W224 WeakPolarHBondContact CB-O 3.42Å; K206-W224 HydrophobicContact CB-CB 4.35Å; A218-W224 PolarHBondContact O-NE1 2.87Å; A218-W224 VanDerWaalsContact O-NE1 3.14Å; P219-W224 HydrophobicContact CB-CH2 4.28Å; P219-W224 HydrophobicContact CB-CZ2 3.76Å; D222-W224 PolarHBondContact O-N 3.48Å; W224-Q258 VanDerWaalsContact CD2-CD 3.48Å; W224-Q258 HydrophobicContact CD2-CG 3.78Å; W224-Q258 HydrophobicContact CE3-CB 4.38Å; W224-Q258 HydrophobicContact CE3-CG 3.62Å; W224-Q258 HydrophobicContact CG-CG 4.5Å; W224-Q258 HydrophobicContact CH2-CB 3.74Å; W224-Q258 HydrophobicContact CH2-CG 3.92Å; W224-Q258 HydrophobicContact CZ2-CB 3.92Å; W224-Q258 HydrophobicContact CZ2-CG 4.08Å; W224-Q258 HydrophobicContact CZ3-CB 3.99Å; W224-Q258 HydrophobicContact CZ3-CG 3.68Å; W224-E261 HydrophobicContact CZ3-CB 4.32Å
225E97.9Very high96.9Very high61 Ų6126.6 Ų26.629%0.28513%0.128SC..EExtended strand (participates in β ladder)trans-85.3-21.2171-63.7-67.5165.600112.5Q203 K206 D223Q203-E225 PolarHBondContact NE2-O 2.98Å; Q203-E225 PolarHBondContact NE2-OE2 2.96Å; K206-E225 WeakPolarHBondContact CD-OE1 3.38Å; K206-E225 WeakPolarHBondContact CE-OE1 3.29Å; K206-E225 VanDerWaalsContact NZ-CD 3.31Å; K206-E225 IonicContact NZ-OE1 3.45Å; K206-E225 PolarHBondContact NZ-OE1 2.91Å; K206-E225 VanDerWaalsContact NZ-OE1 3.12Å; K206-E225 IonicContact NZ-OE2 2.92Å; K206-E225 PolarHBondContact NZ-OE2 3.49Å; D223-E225 PolarHBondContact O-N 2.86Å; D223-E225 PolarHBondContact OD1-N 2.91Å
226L98.6Very high96.5Very high17 Ų1725.9 Ų25.99%0.08912%0.122CC..EExtended strand (participates in β ladder)trans-133.538.9-168.4-61.1170.9000112.5R130 L135 D223 G247 I248R130-L226 HydrophobicContact CB-CD1 4.34Å; L135-L226 VanDerWaalsContact CD2-C 3.48Å; L135-L226 WeakPolarHBondContact CD2-O 3.38Å; D223-L226 HydrophobicContact CB-CB 4.32Å; D223-L226 CarbonylContact O-C 3.53Å; D223-L226 PolarHBondContact O-N 3.04Å; L226-G247 CarbonylContact O-C 3.36Å; L226-G247 WeakPolarHBondContact O-CA 3.44Å; L226-I248 HydrophobicContact CB-CB 3.84Å; L226-I248 HydrophobicContact CB-CD1 4.36Å; L226-I248 HydrophobicContact CB-CG1 4.38Å; L226-I248 HydrophobicContact CD1-CB 4.28Å; L226-I248 HydrophobicContact CD1-CD1 4.24Å; L226-I248 HydrophobicContact CD1-CG2 4.2Å; L226-I248 PolarHBondContact O-N 3.46Å
227N98.7Very high96.4Very high0 Ų023.2 Ų23.20%011%0.108CC..EExtended strand (participates in β ladder)trans-129.9177.2176.274.63.5000112K202 Q203 I204 D222 D223 M246K202-N227 CarbonylContact C-O 3.54Å; K202-N227 VanDerWaalsContact CA-O 3.27Å; K202-N227 WeakPolarHBondContact CA-O 3.48Å; Q203-N227 WeakPolarHBondContact CA-OD1 3.39Å; Q203-N227 PolarHBondContact N-O 2.84Å; Q203-N227 PolarHBondContact N-OD1 3.01Å; I204-N227 PolarHBondContact N-OD1 3.43Å; I204-N227 PolarHBondContact O-ND2 3.28Å; I204-N227 PolarHBondContact O-OD1 2.96Å; D222-N227 HydrophobicContact CB-CB 3.94Å; D223-N227 WeakPolarHBondContact O-CB 3.46Å; D223-N227 PolarHBondContact O-N 3.09Å; N227-M246 CarbonylContact C-O 3.54Å; N227-M246 WeakPolarHBondContact CA-O 3.48Å; N227-M246 WeakPolarHBondContact CB-O 3.34Å
228G98.6Very high96.5Very high0 Ų025.2 Ų25.20%012%0.121CC..EExtended strand (participates in β ladder)trans171.5-179.617100000114.3F200 L201 M246F200-G228 VanDerWaalsContact CE2-C 3.4Å; F200-G228 WeakPolarHBondContact CE2-O 3.3Å; F200-G228 VanDerWaalsContact CZ-CA 3.44Å; L201-G228 CarbonylContact O-C 3.35Å; L201-G228 WeakPolarHBondContact O-CA 3.48Å; G228-M246 PolarHBondContact N-O 2.83Å; G228-M246 PolarHBondContact O-N 3.01Å
229D98.8Very high96.6Very high5 Ų527.1 Ų27.13%0.02713%0.128CC..EExtended strand (participates in β ladder)trans-118.6141.1-179.6-66.9-25.9000112.2F200 L201 I204 R217 L231 E242 S244 S245F200-D229 CarbonylContact C-O 3.58Å; F200-D229 VanDerWaalsContact CA-O 3.28Å; F200-D229 WeakPolarHBondContact CA-O 3.39Å; F200-D229 WeakPolarHBondContact CD2-O 3.31Å; L201-D229 PolarHBondContact N-O 3.36Å; L201-D229 PolarHBondContact O-N 3.36Å; I204-D229 HydrophobicContact CD1-CB 3.8Å; I204-D229 WeakPolarHBondContact CD1-OD2 3.43Å; R217-D229 IonicContact CZ-OD1 3.27Å; R217-D229 IonicContact CZ-OD2 2.77Å; R217-D229 IonicContact NH1-OD1 2.62Å; R217-D229 IonicContact NH2-OD1 2.81Å; R217-D229 PolarHBondContact NH2-OD1 2.94Å; R217-D229 IonicContact NH2-OD2 3.49Å; R217-D229 PolarHBondContact NH2-OD2 2.87Å; D229-L231 HydrophobicContact CB-CD2 3.94Å; D229-L231 HydrophobicContact CB-CG 4.34Å; D229-E242 HydrophobicContact CB-CG 4.08Å; D229-S244 CarbonylContact C-O 3.25Å; D229-S244 WeakPolarHBondContact CA-O 3.32Å; D229-S245 WeakPolarHBondContact OD1-CA 3.35Å; D229-S245 WeakPolarHBondContact OD1-CB 3.47Å; D229-S245 PolarHBondContact OD1-OG 3.5Å
230I98.9Very high96.7Very high0 Ų027.9 Ų27.90%013%0.133CC..EExtended strand (participates in β ladder)trans-84.8110.8167.3-64178.7000108.2V139 I142 M146 I168 F200 V232 L243 S244 M246V139-I230 HydrophobicContact CG1-CD1 4.45Å; V139-I230 HydrophobicContact CG1-CG1 4.47Å; I142-I230 HydrophobicContact CG2-CD1 3.96Å; M146-I230 HydrophobicContact CE-CD1 4.06Å; M146-I230 HydrophobicContact CE-CG2 4.45Å; M146-I230 HydrophobicContact SD-CG2 4.41Å; I168-I230 HydrophobicContact CD1-CG1 4.23Å; I168-I230 HydrophobicContact CD1-CG2 4.09Å; F200-I230 HydrophobicContact CD2-CG1 3.76Å; F200-I230 HydrophobicContact CE2-CG1 4.29Å; I230-V232 HydrophobicContact CG2-CG1 4.47Å; I230-L243 HydrophobicContact CG2-CB 4.4Å; I230-L243 PolarHBondContact O-N 2.77Å; I230-S244 PolarHBondContact N-O 3.43Å; I230-M246 HydrophobicContact CD1-CE 3.49Å; I230-M246 VanDerWaalsContact CD1-CE 3.49Å; I230-M246 HydrophobicContact CG1-CE 3.99Å
231L98.9Very high96.8Very high3 Ų327.9 Ų27.92%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-109.5135.3177.9-52-178.6000109.9E189 V193 A198 V199 L201 D229 I241 E242E189-L231 HydrophobicContact CB-CD1 3.96Å; E189-L231 HydrophobicContact CG-CD1 3.63Å; V193-L231 HydrophobicContact CG1-CB 3.55Å; A198-L231 WeakPolarHBondContact CA-O 3.37Å; V199-L231 PolarHBondContact N-O 2.58Å; V199-L231 PolarHBondContact O-N 3.06Å; L201-L231 HydrophobicContact CB-CD1 3.96Å; L201-L231 HydrophobicContact CD2-CD1 4.03Å; D229-L231 HydrophobicContact CB-CD2 3.94Å; D229-L231 HydrophobicContact CB-CG 4.34Å; L231-I241 WeakPolarHBondContact CA-O 2.96Å; L231-E242 HydrophobicContact CD2-CB 3.55Å; L231-E242 HydrophobicContact CD2-CG 3.64Å
232V98.8Very high97Very high0 Ų029.5 Ų29.50%014%0.141CC..EExtended strand (participates in β ladder)trans-126.8150.3176.9-59.70000111.4L164 A198 I230 I241 L243 F297L164-V232 HydrophobicContact CD2-CG1 3.88Å; A198-V232 HydrophobicContact CB-CG1 4.2Å; I230-V232 HydrophobicContact CG2-CG1 4.47Å; V232-I241 HydrophobicContact CG2-CB 4.04Å; V232-I241 PolarHBondContact N-O 2.86Å; V232-I241 PolarHBondContact O-N 3.29Å; V232-L243 HydrophobicContact CB-CD1 4.31Å; V232-L243 HydrophobicContact CG1-CD1 3.6Å; V232-L243 HydrophobicContact CG1-CG 4.32Å; V232-L243 HydrophobicContact CG2-CD1 3.7Å; V232-L243 HydrophobicContact CG2-CD2 4.32Å; V232-L243 HydrophobicContact CG2-CG 3.84Å; V232-F297 HydrophobicContact CB-CE2 4.14Å; V232-F297 HydrophobicContact CB-CZ 4.04Å; V232-F297 HydrophobicContact CG2-CD1 4.29Å; V232-F297 HydrophobicContact CG2-CD2 3.7Å; V232-F297 HydrophobicContact CG2-CE1 4.15Å; V232-F297 HydrophobicContact CG2-CE2 3.53Å; V232-F297 HydrophobicContact CG2-CG 4.07Å; V232-F297 HydrophobicContact CG2-CZ 3.77Å
233Y98.5Very high97.1Very high34 Ų3429.5 Ų29.513%0.13314%0.141CC..EExtended strand (participates in β ladder)trans-87.6126.3171.3178.4-124.4000110.2Y190 V193 K194 G197 E235 D238Y190-Y233 HydrophobicContact CE2-CE2 4.37Å; V193-Y233 HydrophobicContact CG2-CD2 4.3Å; V193-Y233 VanDerWaalsContact O-CB 3.3Å; V193-Y233 WeakPolarHBondContact O-CB 3.34Å; K194-Y233 HydrophobicContact CD-CD2 4.09Å; K194-Y233 HydrophobicContact CD-CE1 3.98Å; K194-Y233 HydrophobicContact CD-CE2 3.49Å; K194-Y233 VanDerWaalsContact CD-CE2 3.49Å; K194-Y233 VanDerWaalsContact CD-CZ 3.47Å; K194-Y233 PolarHBondContact NZ-OH 3.34Å; G197-Y233 PolarHBondContact O-N 2.93Å; Y233-E235 HydrophobicContact CD1-CG 3.82Å; Y233-E235 HydrophobicContact CE1-CB 4.24Å; Y233-E235 HydrophobicContact CE1-CG 3.33Å; Y233-D238 VanDerWaalsContact CE2-OD1 3.27Å; Y233-D238 WeakPolarHBondContact CE2-OD1 3.47Å; Y233-D238 PolarHBondContact OH-OD1 3.16Å
234S97Very high97.1Very high4 Ų429 Ų293%0.02814%0.138CC..EExtended strand (participates in β ladder)trans-98.1104.6171.1177.30000109.6H236 D237 D238 R239S234-H236 PolarHBondContact O-N 3.06Å; S234-D237 WeakPolarHBondContact CB-OD1 3.44Å; S234-D237 PolarHBondContact OG-OD1 3.45Å; S234-D238 WeakPolarHBondContact O-CA 3.42Å; S234-D238 PolarHBondContact O-N 3.33Å; S234-R239 PolarHBondContact N-O 3.29Å; S234-R239 PolarHBondContact O-N 2.86Å
235E93.4Very high97.1Very high155 Ų15529.1 Ų29.172%0.72414%0.143SC*.THydrogen-bonded Turntrans-62.4-28.8176.2-80.5-177.4-175.400113.3Y233 D237Y233-E235 HydrophobicContact CD1-CG 3.82Å; Y233-E235 HydrophobicContact CE1-CB 4.24Å; Y233-E235 HydrophobicContact CE1-CG 3.33Å; E235-D237 VanDerWaalsContact C-N 3.26Å; E235-D237 PolarHBondContact O-N 3.47Å
236H88.8Confident97.2Very high68 Ų6826.2 Ų26.232%0.31513%0.13SC..THydrogen-bonded Turntrans-64-31.1-175.1179.370.5000113.1Y4 S234 E300 K302Y4-H236 AromaticContact CD2-NE2 3.63Å; Y4-H236 AromaticContact CE2-NE2 3.5Å; S234-H236 PolarHBondContact O-N 3.06Å; H236-E300 HydrophobicContact CB-CB 4.46Å; H236-K302 WeakPolarHBondContact NE2-CE 3.13Å
237D89.8Confident97.2Very high40 Ų4025.4 Ų25.421%0.21413%0.126CC..THydrogen-bonded Turntrans-138.214.4-173.845.924.9000113.2S234 E235 R239S234-D237 WeakPolarHBondContact CB-OD1 3.44Å; S234-D237 PolarHBondContact OG-OD1 3.45Å; E235-D237 VanDerWaalsContact C-N 3.26Å; E235-D237 PolarHBondContact O-N 3.47Å; D237-R239 PolarHBondContact O-N 3.26Å; D237-R239 VanDerWaalsContact OD1-CG 3.3Å; D237-R239 WeakPolarHBondContact OD1-CG 3.2Å; D237-R239 IonicContact OD1-CZ 3.34Å; D237-R239 IonicContact OD1-NE 3.32Å; D237-R239 PolarHBondContact OD1-NE 3.03Å; D237-R239 VanDerWaalsContact OD1-NE 3.07Å; D237-R239 IonicContact OD2-CZ 3.91Å; D237-R239 IonicContact OD2-NE 2.65Å; D237-R239 PolarHBondContact OD2-NE 3.12Å; D237-R239 IonicContact OD2-NH2 3.09Å; D237-R239 PolarHBondContact OD2-NH2 2.86Å
238D95.9Very high97.2Very high77 Ų7725.4 Ų25.441%0.41213%0.126SC..THydrogen-bonded Turntrans4957.9174.2-166.97.5000113.3Y190 K194 Y233 S234Y190-D238 WeakPolarHBondContact CE2-O 3.47Å; Y190-D238 VanDerWaalsContact CE2-OD1 3.31Å; Y190-D238 WeakPolarHBondContact CE2-OD1 3.32Å; Y190-D238 VanDerWaalsContact OH-CG 3.28Å; Y190-D238 PolarHBondContact OH-OD1 3.1Å; Y190-D238 PolarHBondContact OH-OD2 3.31Å; K194-D238 IonicContact NZ-OD1 2.65Å; K194-D238 PolarHBondContact NZ-OD1 3.3Å; K194-D238 IonicContact NZ-OD2 3.57Å; K194-D238 PolarHBondContact NZ-OD2 2.86Å; Y233-D238 VanDerWaalsContact CE2-OD1 3.27Å; Y233-D238 WeakPolarHBondContact CE2-OD1 3.47Å; Y233-D238 PolarHBondContact OH-OD1 3.16Å; S234-D238 WeakPolarHBondContact O-CA 3.42Å; S234-D238 PolarHBondContact O-N 3.33Å
239R97Very high97.2Very high41 Ų4125.7 Ų25.716%0.15513%0.127CC..EExtended strand (participates in β ladder)trans-142.1160.3-178.971.7-171.4162.9172.9-5.4114S234 D237 I241 K301 K302S234-R239 PolarHBondContact N-O 3.29Å; S234-R239 PolarHBondContact O-N 2.86Å; D237-R239 PolarHBondContact O-N 3.26Å; D237-R239 VanDerWaalsContact OD1-CG 3.3Å; D237-R239 WeakPolarHBondContact OD1-CG 3.2Å; D237-R239 IonicContact OD1-CZ 3.34Å; D237-R239 IonicContact OD1-NE 3.32Å; D237-R239 PolarHBondContact OD1-NE 3.03Å; D237-R239 VanDerWaalsContact OD1-NE 3.07Å; D237-R239 IonicContact OD2-CZ 3.91Å; D237-R239 IonicContact OD2-NE 2.65Å; D237-R239 PolarHBondContact OD2-NE 3.12Å; D237-R239 IonicContact OD2-NH2 3.09Å; D237-R239 PolarHBondContact OD2-NH2 2.86Å; R239-I241 HydrophobicContact CG-CD1 4.4Å; R239-I241 HydrophobicContact CG-CG1 3.96Å; R239-K301 PolarHBondContact NH2-O 3.41Å; R239-K302 PolarHBondContact NH1-O 2.74Å; R239-K302 PolarHBondContact NH2-O 2.98Å
240C98.2Very high97.2Very high22 Ų2225.5 Ų25.515%0.14913%0.125CC..EExtended strand (participates in β ladder)trans-78.5137.2164-172.80000109.8V193V193-C240 HydrophobicContact CG2-CB 3.84Å
241I98.2Very high97.1Very high0 Ų026.1 Ų26.10%013%0.129CC..EExtended strand (participates in β ladder)trans-128.4123171.4-55.3-179.6000108.6L111 L231 V232 R239 L243 M296 F297L111-I241 HydrophobicContact CD1-CG1 4.46Å; L111-I241 HydrophobicContact CD2-CD1 4.29Å; L111-I241 HydrophobicContact CD2-CG1 4.1Å; L111-I241 HydrophobicContact CD2-CG2 4.33Å; L231-I241 WeakPolarHBondContact CA-O 2.96Å; V232-I241 HydrophobicContact CG2-CB 4.04Å; V232-I241 PolarHBondContact N-O 2.86Å; V232-I241 PolarHBondContact O-N 3.29Å; R239-I241 HydrophobicContact CG-CD1 4.4Å; R239-I241 HydrophobicContact CG-CG1 3.96Å; I241-L243 HydrophobicContact CG2-CD2 3.89Å; I241-M296 HydrophobicContact CD1-CE 3.63Å; I241-M296 HydrophobicContact CG2-CE 4.42Å; I241-F297 HydrophobicContact CD1-CB 4.45Å; I241-F297 HydrophobicContact CD1-CD2 4.14Å
242E98.5Very high97.1Very high55 Ų5528.9 Ų28.926%0.25714%0.142SC..EExtended strand (participates in β ladder)trans-84.5113.8171.7-175.8-126.3126.600109.9D229 L231 S245 R293D229-E242 HydrophobicContact CB-CG 4.08Å; L231-E242 HydrophobicContact CD2-CB 3.55Å; L231-E242 HydrophobicContact CD2-CG 3.64Å; E242-S245 PolarHBondContact OE1-OG 3.42Å; E242-R293 WeakPolarHBondContact O-CD 3.45Å; E242-R293 PolarHBondContact O-NH1 2.64Å; E242-R293 IonicContact OE1-NH1 2.74Å; E242-R293 PolarHBondContact OE1-NH1 3.43Å; E242-R293 IonicContact OE2-CZ 2.81Å; E242-R293 IonicContact OE2-NH1 3.49Å; E242-R293 PolarHBondContact OE2-NH1 2.98Å; E242-R293 IonicContact OE2-NH2 3.8Å
243L98.6Very high97.1Very high1 Ų134.9 Ų34.91%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-93.4-26.3-176.8-64.9-178.4000113.2M146 I230 V232 I241 I289 G290 R293 L294 F297M146-L243 HydrophobicContact CE-CB 4.33Å; M146-L243 HydrophobicContact CE-CD1 4.42Å; M146-L243 HydrophobicContact SD-CD1 4.15Å; I230-L243 HydrophobicContact CG2-CB 4.4Å; I230-L243 PolarHBondContact O-N 2.77Å; V232-L243 HydrophobicContact CB-CD1 4.31Å; V232-L243 HydrophobicContact CG1-CD1 3.6Å; V232-L243 HydrophobicContact CG1-CG 4.32Å; V232-L243 HydrophobicContact CG2-CD1 3.7Å; V232-L243 HydrophobicContact CG2-CD2 4.32Å; V232-L243 HydrophobicContact CG2-CG 3.84Å; I241-L243 HydrophobicContact CG2-CD2 3.89Å; L243-I289 WeakPolarHBondContact O-CA 3.37Å; L243-G290 PolarHBondContact O-N 3.21Å; L243-R293 HydrophobicContact CD2-CB 4.35Å; L243-L294 HydrophobicContact CD1-CD1 4.25Å; L243-F297 HydrophobicContact CD1-CD1 4.26Å; L243-F297 HydrophobicContact CD2-CB 4.13Å; L243-F297 HydrophobicContact CD2-CG 4.48Å
244S98.7Very high97Very high1 Ų133.5 Ų33.51%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-157.9145.2-175.2-172.30000111.9D229 I230 M246 G288 I289D229-S244 CarbonylContact C-O 3.25Å; D229-S244 WeakPolarHBondContact CA-O 3.32Å; I230-S244 PolarHBondContact N-O 3.43Å; S244-M246 WeakPolarHBondContact OG-CE 3.47Å; S244-G288 WeakPolarHBondContact CA-O 3.37Å; S244-G288 WeakPolarHBondContact CB-O 3.27Å; S244-G288 PolarHBondContact OG-O 2.83Å; S244-I289 WeakPolarHBondContact OG-CG1 3.06Å
245S98Very high97.1Very high28 Ų2833.3 Ų33.320%0.19617%0.167CC..EExtended strand (participates in β ladder)trans-113.2134.7160.5-610000110R217 D229 E242 G287 G288R217-S245 PolarHBondContact NH1-OG 3.21Å; R217-S245 VanDerWaalsContact NH1-OG 3.08Å; D229-S245 WeakPolarHBondContact OD1-CA 3.35Å; D229-S245 WeakPolarHBondContact OD1-CB 3.47Å; D229-S245 PolarHBondContact OD1-OG 3.5Å; E242-S245 PolarHBondContact OE1-OG 3.42Å; S245-G287 CarbonylContact O-C 3.6Å; S245-G287 WeakPolarHBondContact O-CA 3.48Å; S245-G288 PolarHBondContact N-O 2.91Å; S245-G288 PolarHBondContact O-N 2.86Å
246M98.7Very high97.3Very high0 Ų029.9 Ų29.90%015%0.151CC..EExtended strand (participates in β ladder)trans-154.4162.318066.1-174.47300112.5W121 V139 I142 F200 N227 G228 I230 S244 G286W121-M246 HydrophobicContact CZ2-CB 4.04Å; W121-M246 HydrophobicContact CZ2-CE 4.45Å; W121-M246 HydrophobicContact CZ2-SD 4.08Å; V139-M246 HydrophobicContact CG2-CG 4.45Å; V139-M246 HydrophobicContact CG2-SD 3.63Å; I142-M246 HydrophobicContact CD1-CE 3.61Å; I142-M246 HydrophobicContact CD1-SD 3.73Å; I142-M246 HydrophobicContact CG2-CE 4.35Å; F200-M246 HydrophobicContact CE2-CG 3.72Å; F200-M246 HydrophobicContact CE2-SD 4.15Å; F200-M246 HydrophobicContact CZ-CG 3.95Å; N227-M246 CarbonylContact C-O 3.54Å; N227-M246 WeakPolarHBondContact CA-O 3.48Å; N227-M246 WeakPolarHBondContact CB-O 3.34Å; G228-M246 PolarHBondContact N-O 2.83Å; G228-M246 PolarHBondContact O-N 3.01Å; I230-M246 HydrophobicContact CD1-CE 3.49Å; I230-M246 VanDerWaalsContact CD1-CE 3.49Å; I230-M246 HydrophobicContact CG1-CE 3.99Å; S244-M246 WeakPolarHBondContact OG-CE 3.47Å; M246-G286 CarbonylContact C-O 3.59Å; M246-G286 VanDerWaalsContact CA-O 3.22Å; M246-G286 WeakPolarHBondContact CA-O 3.45Å; M246-G286 VanDerWaalsContact CB-O 3.26Å; M246-G286 WeakPolarHBondContact CB-O 3.41Å
247G98.7Very high97.7Very high0 Ų030.8 Ų30.80%015%0.152CC..EExtended strand (participates in β ladder)trans-174.1162.3176.700000113.3D222 L226 R249 I285 G286D222-G247 WeakPolarHBondContact OD1-CA 3.19Å; L226-G247 CarbonylContact O-C 3.36Å; L226-G247 WeakPolarHBondContact O-CA 3.44Å; G247-R249 PolarHBondContact O-N 2.8Å; G247-I285 WeakPolarHBondContact O-CA 3.42Å; G247-I285 WeakPolarHBondContact O-CG1 3.41Å; G247-G286 PolarHBondContact N-O 2.86Å; G247-G286 PolarHBondContact O-N 3.15Å
248I98.8Very high98.1Very high0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-68.1126.1161.9-65.5-179.4000106.5I125 R130 N131 K134 L135 D223 L226 I285I125-I248 HydrophobicContact CD1-CD1 4.45Å; I125-I248 HydrophobicContact CD1-CG1 4.35Å; I125-I248 HydrophobicContact CD1-CG2 3.84Å; R130-I248 HydrophobicContact CB-CG2 4.45Å; R130-I248 HydrophobicContact CG-CG2 4.07Å; R130-I248 VanDerWaalsContact NH1-CG2 3.32Å; N131-I248 WeakPolarHBondContact O-CD1 3.26Å; K134-I248 HydrophobicContact CB-CD1 4.26Å; L135-I248 HydrophobicContact CB-CD1 4.29Å; L135-I248 HydrophobicContact CB-CG1 4.5Å; D223-I248 WeakPolarHBondContact CB-O 3.17Å; D223-I248 PolarHBondContact N-O 2.6Å; L226-I248 HydrophobicContact CB-CB 3.84Å; L226-I248 HydrophobicContact CB-CD1 4.36Å; L226-I248 HydrophobicContact CB-CG1 4.38Å; L226-I248 HydrophobicContact CD1-CB 4.28Å; L226-I248 HydrophobicContact CD1-CD1 4.24Å; L226-I248 HydrophobicContact CD1-CG2 4.2Å; L226-I248 PolarHBondContact O-N 3.46Å; I248-I285 HydrophobicContact CG1-CB 4.2Å; I248-I285 HydrophobicContact CG1-CD1 3.9Å; I248-I285 HydrophobicContact CG1-CG1 4.01Å
249R98.7Very high98.1Very high6 Ų625.2 Ų25.22%0.02312%0.122CC..EExtended strand (participates in β ladder)trans-69.2157-171.9-58.7-45.2-175.3178.79.1111.8E122 R130 Y221 D222 G247 T284 G286 G287E122-R249 WeakPolarHBondContact OE1-CD 3.45Å; E122-R249 WeakPolarHBondContact OE1-CG 3.36Å; E122-R249 IonicContact OE1-CZ 2.77Å; E122-R249 IonicContact OE1-NE 3.87Å; E122-R249 PolarHBondContact OE1-NE 3.03Å; E122-R249 IonicContact OE1-NH2 3.49Å; E122-R249 IonicContact OE2-CZ 2.78Å; E122-R249 IonicContact OE2-NE 3.39Å; E122-R249 PolarHBondContact OE2-NE 3.47Å; E122-R249 IonicContact OE2-NH2 3.95Å; E122-R249 PolarHBondContact OE2-NH2 2.83Å; R130-R249 PolarHBondContact NH1-O 3.22Å; R130-R249 PolarHBondContact NH2-O 2.77Å; Y221-R249 CarbonylContact O-C 3.49Å; Y221-R249 WeakPolarHBondContact O-CA 3.47Å; Y221-R249 WeakPolarHBondContact O-CB 3.18Å; Y221-R249 WeakPolarHBondContact O-CD 3.48Å; D222-R249 IonicContact OD1-CZ 3.97Å; D222-R249 IonicContact OD1-NH1 3.29Å; D222-R249 PolarHBondContact OD1-NH1 2.81Å; D222-R249 IonicContact OD2-NH1 2.86Å; G247-R249 PolarHBondContact O-N 2.8Å; R249-T284 WeakPolarHBondContact CG-OG1 3.46Å; R249-T284 PolarHBondContact N-O 3.16Å; R249-G286 VanDerWaalsContact CZ-O 3.29Å; R249-G286 PolarHBondContact NH1-O 3.07Å; R249-G286 VanDerWaalsContact NH2-CA 3.29Å; R249-G286 PolarHBondContact NH2-O 3.22Å; R249-G287 VanDerWaalsContact NH2-N 3.1Å
250V98.5Very high98.1Very high0 Ų030 Ų300%014%0.144CC..PPolyproline II helixtrans-54.1144171.9-66.30000111.4R81 D220 Y221 D222 S254 M255 Q258R81-V250 PolarHBondContact NH1-O 2.82Å; R81-V250 PolarHBondContact NH2-O 3.19Å; D220-V250 WeakPolarHBondContact O-CG2 3.39Å; Y221-V250 PolarHBondContact O-N 3.21Å; D222-V250 VanDerWaalsContact C-CG1 3.49Å; D222-V250 VanDerWaalsContact O-CG1 3.26Å; D222-V250 WeakPolarHBondContact O-CG1 3.35Å; V250-S254 WeakPolarHBondContact CA-OG 3.44Å; V250-M255 HydrophobicContact CB-CB 4.02Å; V250-M255 HydrophobicContact CG2-CB 3.98Å; V250-M255 HydrophobicContact CG2-CE 3.52Å; V250-M255 HydrophobicContact CG2-CG 4.44Å; V250-Q258 VanDerWaalsContact CG1-NE2 3.25Å
251D98.5Very high98Very high13 Ų1335 Ų357%0.0717%0.165CC..  trans-103.6-172.2164.967.62.3000111.2R127 R130 L253 S254 M255 L283R127-D251 IonicContact CZ-OD2 2.73Å; R127-D251 IonicContact NH1-OD2 2.63Å; R127-D251 PolarHBondContact NH1-OD2 2.85Å; R127-D251 IonicContact NH2-OD2 3.57Å; R127-D251 PolarHBondContact NH2-OD2 3.19Å; R130-D251 IonicContact CZ-OD2 3.82Å; R130-D251 IonicContact NE-OD2 3.21Å; R130-D251 PolarHBondContact NE-OD2 3.29Å; R130-D251 IonicContact NH2-OD2 3.25Å; D251-L253 VanDerWaalsContact C-N 3.27Å; D251-L253 PolarHBondContact O-N 3.3Å; D251-L253 PolarHBondContact OD1-N 3.23Å; D251-S254 PolarHBondContact N-OG 2.97Å; D251-S254 PolarHBondContact O-OG 2.92Å; D251-S254 WeakPolarHBondContact OD1-CB 3.22Å; D251-S254 PolarHBondContact OD1-N 3.37Å; D251-S254 PolarHBondContact OD1-OG 3.27Å; D251-M255 WeakPolarHBondContact O-CB 3.44Å; D251-M255 PolarHBondContact O-N 2.95Å; D251-L283 HydrophobicContact CB-CD2 4Å
252E98Very high97.7Very high61 Ų6137.2 Ų37.229%0.28518%0.18SC..Hα-helixtrans-56.1-40.4179.165.8-70.1167.200112.7R127 E256R127-E252 IonicContact CZ-OE1 2.82Å; R127-E252 IonicContact CZ-OE2 3.69Å; R127-E252 IonicContact NH1-OE1 3.55Å; R127-E252 PolarHBondContact NH1-OE1 2.87Å; R127-E252 IonicContact NH1-OE2 2.74Å; R127-E252 IonicContact NH2-OE2 3.81Å; E252-E256 WeakPolarHBondContact O-CB 3.34Å; E252-E256 PolarHBondContact O-N 3.23Å
253L97.8Very high97.5Very high126 Ų12637.7 Ų37.766%0.6620%0.2SC*.Hα-helixtrans-77.9-48.1-176.2-61.4179.4000111.9D251 E256 R257D251-L253 VanDerWaalsContact C-N 3.27Å; D251-L253 PolarHBondContact O-N 3.3Å; D251-L253 PolarHBondContact OD1-N 3.23Å; L253-E256 PolarHBondContact O-N 2.81Å; L253-R257 WeakPolarHBondContact O-CB 3.34Å; L253-R257 PolarHBondContact O-N 2.88Å
254S98Very high97.3Very high5 Ų539.1 Ų39.14%0.03521%0.21CC..Hα-helixtrans-69.3-36.2179.451.20000111.8D223 V250 D251 R257 Q258D223-S254 WeakPolarHBondContact OD2-CB 3.39Å; D223-S254 PolarHBondContact OD2-OG 2.84Å; V250-S254 WeakPolarHBondContact CA-OG 3.44Å; D251-S254 PolarHBondContact N-OG 2.97Å; D251-S254 PolarHBondContact O-OG 2.92Å; D251-S254 WeakPolarHBondContact OD1-CB 3.22Å; D251-S254 PolarHBondContact OD1-N 3.37Å; D251-S254 PolarHBondContact OD1-OG 3.27Å; S254-R257 PolarHBondContact O-N 3.48Å; S254-Q258 VanDerWaalsContact O-CB 3.26Å; S254-Q258 WeakPolarHBondContact O-CB 3.46Å; S254-Q258 WeakPolarHBondContact O-CG 3.38Å; S254-Q258 PolarHBondContact O-N 3.37Å
255M98Very high97.2Very high0 Ų043.3 Ų43.30%023%0.229CC..Hα-helixtrans-62.3-46.5173.2-178.2176.7-77.400111D220 V250 D251 R257 Q258 L259 Y272 H273 V276 L277D220-M255 HydrophobicContact CB-CE 4.49Å; V250-M255 HydrophobicContact CB-CB 4.02Å; V250-M255 HydrophobicContact CG2-CB 3.98Å; V250-M255 HydrophobicContact CG2-CE 3.52Å; V250-M255 HydrophobicContact CG2-CG 4.44Å; D251-M255 WeakPolarHBondContact O-CB 3.44Å; D251-M255 PolarHBondContact O-N 2.95Å; M255-R257 PolarHBondContact O-N 2.98Å; M255-Q258 PolarHBondContact O-N 2.76Å; M255-L259 HydrophobicContact CG-CD1 3.64Å; M255-L259 HydrophobicContact CG-CG 4.11Å; M255-L259 VanDerWaalsContact O-CB 3.31Å; M255-L259 WeakPolarHBondContact O-CB 3.16Å; M255-L259 VanDerWaalsContact O-CG 3.24Å; M255-L259 WeakPolarHBondContact O-CG 3.27Å; M255-L259 PolarHBondContact O-N 3.46Å; M255-L259 HydrophobicContact SD-CD1 4.32Å; M255-Y272 HydrophobicContact CE-CE1 4.01Å; M255-H273 HydrophobicContact SD-CB 4.08Å; M255-V276 HydrophobicContact CE-CB 3.55Å; M255-V276 HydrophobicContact CE-CG1 3.57Å; M255-V276 HydrophobicContact CE-CG2 3.79Å; M255-V276 HydrophobicContact SD-CB 3.92Å; M255-V276 HydrophobicContact SD-CG1 4.03Å; M255-L277 HydrophobicContact CB-CD2 4.19Å; M255-L277 HydrophobicContact CG-CD2 4.11Å; M255-L277 HydrophobicContact SD-CD1 4.47Å; M255-L277 HydrophobicContact SD-CD2 4.04Å; M255-L277 HydrophobicContact SD-CG 3.86Å
256E97.7Very high97Very high83 Ų8346.1 Ų46.139%0.38825%0.254SS..Hα-helixtrans-59.6-46.3178.6-175.466.3-16100111.5E252 L253 K260 K268 L277E252-E256 WeakPolarHBondContact O-CB 3.34Å; E252-E256 PolarHBondContact O-N 3.23Å; L253-E256 PolarHBondContact O-N 2.81Å; E256-K260 WeakPolarHBondContact O-CB 3.24Å; E256-K260 PolarHBondContact O-N 2.94Å; E256-K268 IonicContact OE1-NZ 3.9Å; E256-K268 PolarHBondContact OE1-NZ 3.38Å; E256-K268 WeakPolarHBondContact OE2-CE 3.19Å; E256-K268 IonicContact OE2-NZ 3.41Å; E256-K268 PolarHBondContact OE2-NZ 3.3Å; E256-K268 VanDerWaalsContact OE2-NZ 3.1Å; E256-L277 HydrophobicContact CB-CD2 4.43Å
257R97.8Very high96.8Very high88 Ų8848 Ų4833%0.33226%0.261SS..Hα-helixtrans-60.7-55.4176.4-180-169.167.4-161.6-5111.5D223 L253 S254 M255 L259 K260 E261D223-R257 IonicContact OD1-NH2 3.85Å; D223-R257 PolarHBondContact OD1-NH2 3.02Å; L253-R257 WeakPolarHBondContact O-CB 3.34Å; L253-R257 PolarHBondContact O-N 2.88Å; S254-R257 PolarHBondContact O-N 3.48Å; M255-R257 PolarHBondContact O-N 2.98Å; R257-L259 PolarHBondContact O-N 2.86Å; R257-K260 WeakPolarHBondContact O-CB 3.43Å; R257-K260 PolarHBondContact O-N 2.99Å; R257-E261 WeakPolarHBondContact CD-OE1 3.2Å; R257-E261 HydrophobicContact CG-CG 4.43Å; R257-E261 WeakPolarHBondContact CG-OE1 3.48Å; R257-E261 WeakPolarHBondContact O-CG 3.29Å; R257-E261 PolarHBondContact O-N 3.22Å
258Q97.8Very high96.7Very high0 Ų049 Ų490%027%0.266CS..Hα-helixtrans-67.1-39.8-171.9-70.7-179-172.900112.2P219 D222 W224 V250 S254 M255 K260 E261 S262P219-Q258 HydrophobicContact CB-CB 3.95Å; P219-Q258 WeakPolarHBondContact O-CB 3.3Å; P219-Q258 PolarHBondContact O-NE2 3.19Å; D222-Q258 PolarHBondContact O-NE2 3.44Å; W224-Q258 VanDerWaalsContact CD2-CD 3.48Å; W224-Q258 HydrophobicContact CD2-CG 3.78Å; W224-Q258 HydrophobicContact CE3-CB 4.38Å; W224-Q258 HydrophobicContact CE3-CG 3.62Å; W224-Q258 HydrophobicContact CG-CG 4.5Å; W224-Q258 HydrophobicContact CH2-CB 3.74Å; W224-Q258 HydrophobicContact CH2-CG 3.92Å; W224-Q258 HydrophobicContact CZ2-CB 3.92Å; W224-Q258 HydrophobicContact CZ2-CG 4.08Å; W224-Q258 HydrophobicContact CZ3-CB 3.99Å; W224-Q258 HydrophobicContact CZ3-CG 3.68Å; V250-Q258 VanDerWaalsContact CG1-NE2 3.25Å; S254-Q258 VanDerWaalsContact O-CB 3.26Å; S254-Q258 WeakPolarHBondContact O-CB 3.46Å; S254-Q258 WeakPolarHBondContact O-CG 3.38Å; S254-Q258 PolarHBondContact O-N 3.37Å; M255-Q258 PolarHBondContact O-N 2.76Å; Q258-K260 VanDerWaalsContact C-N 3.26Å; Q258-K260 PolarHBondContact O-N 3.43Å; Q258-E261 PolarHBondContact O-N 3.36Å; Q258-S262 WeakPolarHBondContact O-CB 3.46Å; Q258-S262 PolarHBondContact O-N 3.04Å; Q258-S262 PolarHBondContact O-OG 3.49Å; Q258-S262 VanDerWaalsContact O-OG 3.1Å
259L96.8Very high96.5Very high0 Ų056.5 Ų56.50%030%0.301CS..Hα-helixtrans-62.3-35175.1-72.3176.1000112.3P219 D220 M255 R257 G263 C264 E265 R267 K268P219-L259 HydrophobicContact CB-CD2 4.14Å; P219-L259 HydrophobicContact CG-CD2 3.86Å; D220-L259 HydrophobicContact CB-CD2 4.32Å; M255-L259 HydrophobicContact CG-CD1 3.64Å; M255-L259 HydrophobicContact CG-CG 4.11Å; M255-L259 VanDerWaalsContact O-CB 3.31Å; M255-L259 WeakPolarHBondContact O-CB 3.16Å; M255-L259 VanDerWaalsContact O-CG 3.24Å; M255-L259 WeakPolarHBondContact O-CG 3.27Å; M255-L259 PolarHBondContact O-N 3.46Å; M255-L259 HydrophobicContact SD-CD1 4.32Å; R257-L259 PolarHBondContact O-N 2.86Å; L259-G263 PolarHBondContact O-N 3.18Å; L259-C264 HydrophobicContact CD2-CB 3.86Å; L259-C264 PolarHBondContact O-N 2.87Å; L259-E265 PolarHBondContact O-N 3.43Å; L259-R267 HydrophobicContact CD2-CB 4.17Å; L259-K268 HydrophobicContact CD1-CG 3.63Å
260K96.9Very high96.3Very high142 Ų14259 Ų5962%0.61731%0.314SS*.Hα-helixtrans-71.1-48.3175.8-176.1179.6-179.7-179.40111.2E256 R257 Q258 S262 G263 E265E256-K260 WeakPolarHBondContact O-CB 3.24Å; E256-K260 PolarHBondContact O-N 2.94Å; R257-K260 WeakPolarHBondContact O-CB 3.43Å; R257-K260 PolarHBondContact O-N 2.99Å; Q258-K260 VanDerWaalsContact C-N 3.26Å; Q258-K260 PolarHBondContact O-N 3.43Å; K260-S262 VanDerWaalsContact C-N 3.27Å; K260-S262 PolarHBondContact O-N 3.21Å; K260-G263 PolarHBondContact O-N 3.49Å; K260-G263 VanDerWaalsContact O-N 3.14Å; K260-E265 HydrophobicContact CB-CG 4.3Å
261E94.7Very high96.2Very high127 Ų12764.7 Ų64.759%0.59334%0.341SS*.Hα-helixtrans-61.5-35179.1-73.2174.6-170.100112.4W224 R257 Q258W224-E261 HydrophobicContact CZ3-CB 4.32Å; R257-E261 WeakPolarHBondContact CD-OE1 3.2Å; R257-E261 HydrophobicContact CG-CG 4.43Å; R257-E261 WeakPolarHBondContact CG-OE1 3.48Å; R257-E261 WeakPolarHBondContact O-CG 3.29Å; R257-E261 PolarHBondContact O-N 3.22Å; Q258-E261 PolarHBondContact O-N 3.36Å
262S93Very high96.1Very high45 Ų4564.2 Ų64.232%0.31534%0.338SS..THydrogen-bonded Turntrans-88.94.5177.578.30000114.4P219 Q258 K260 C264P219-S262 WeakPolarHBondContact CB-OG 3.48Å; P219-S262 WeakPolarHBondContact CG-OG 3.48Å; Q258-S262 WeakPolarHBondContact O-CB 3.46Å; Q258-S262 PolarHBondContact O-N 3.04Å; Q258-S262 PolarHBondContact O-OG 3.49Å; Q258-S262 VanDerWaalsContact O-OG 3.1Å; K260-S262 VanDerWaalsContact C-N 3.27Å; K260-S262 PolarHBondContact O-N 3.21Å; S262-C264 PolarHBondContact O-N 2.92Å; S262-C264 VanDerWaalsContact O-N 3.16Å; S262-C264 PolarHBondContact O-SG 3.28Å; S262-C264 VanDerWaalsContact OG-CB 3.3Å; S262-C264 WeakPolarHBondContact OG-CB 3.24Å; S262-C264 PolarHBondContact OG-SG 2.95Å
263G94.3Very high96.1Very high66 Ų6661.3 Ų61.368%0.6832%0.324SS*.THydrogen-bonded Turntrans62.920.1-177.600000114.7L259 K260L259-G263 PolarHBondContact O-N 3.18Å; K260-G263 PolarHBondContact O-N 3.49Å; K260-G263 VanDerWaalsContact O-N 3.14Å
264C94.3Very high96Very high30 Ų3058.6 Ų58.620%0.20331%0.308CS..  trans-100.722.4-174.4-690000113.4P219 L259 S262 A266 R267P219-C264 HydrophobicContact CG-CB 4.19Å; L259-C264 HydrophobicContact CD2-CB 3.86Å; L259-C264 PolarHBondContact O-N 2.87Å; S262-C264 PolarHBondContact O-N 2.92Å; S262-C264 VanDerWaalsContact O-N 3.16Å; S262-C264 PolarHBondContact O-SG 3.28Å; S262-C264 VanDerWaalsContact OG-CB 3.3Å; S262-C264 WeakPolarHBondContact OG-CB 3.24Å; S262-C264 PolarHBondContact OG-SG 2.95Å; C264-A266 PolarHBondContact O-N 3.24Å; C264-R267 HydrophobicContact CB-CG 4.4Å; C264-R267 WeakPolarHBondContact O-CB 3.34Å; C264-R267 WeakPolarHBondContact O-CG 3.38Å; C264-R267 PolarHBondContact O-N 3.35Å
265E96.3Very high96Very high90 Ų9060 Ų6042%0.42132%0.316SS..G310 helixtrans-58.7-24.2-174-62.1-165.774.900114.4L259 K260 R267 K268L259-E265 PolarHBondContact O-N 3.43Å; K260-E265 HydrophobicContact CB-CG 4.3Å; E265-R267 PolarHBondContact O-N 2.65Å; E265-K268 HydrophobicContact CB-CD 4.46Å; E265-K268 VanDerWaalsContact O-CB 3.26Å; E265-K268 WeakPolarHBondContact O-CB 3.41Å; E265-K268 WeakPolarHBondContact O-CG 3.26Å; E265-K268 PolarHBondContact O-N 2.85Å; E265-K268 IonicContact OE1-NZ 3.97Å; E265-K268 PolarHBondContact OE1-NZ 3.08Å
266A94.6Very high96Very high87 Ų8760.1 Ų60.172%0.71932%0.316SS*.G310 helixtrans-58-29.4174.400000112.8C264 K268 Q269C264-A266 PolarHBondContact O-N 3.24Å; A266-K268 PolarHBondContact O-N 3.12Å; A266-Q269 PolarHBondContact O-N 2.89Å
267R94.1Very high96.1Very high38 Ų3857.9 Ų57.914%0.14331%0.307CS..G310 helixtrans-63.3-21.4178.1-62.7-175.6-173.9-176.23.4112.8D52 D220 L259 C264 E265 Q269 L270 H273D52-R267 IonicContact OD2-CZ 3.8Å; D52-R267 IonicContact OD2-NE 2.64Å; D52-R267 IonicContact OD2-NH1 3.1Å; D52-R267 PolarHBondContact OD2-NH1 2.86Å; D52-R267 IonicContact OD2-NH2 2.78Å; D220-R267 IonicContact OD1-NH1 3.66Å; D220-R267 IonicContact OD2-NH1 3.81Å; D220-R267 PolarHBondContact OD2-NH1 2.96Å; L259-R267 HydrophobicContact CD2-CB 4.17Å; C264-R267 HydrophobicContact CB-CG 4.4Å; C264-R267 WeakPolarHBondContact O-CB 3.34Å; C264-R267 WeakPolarHBondContact O-CG 3.38Å; C264-R267 PolarHBondContact O-N 3.35Å; E265-R267 PolarHBondContact O-N 2.65Å; R267-Q269 PolarHBondContact O-N 2.91Å; R267-L270 HydrophobicContact CB-CD1 4.25Å; R267-L270 HydrophobicContact CG-CD1 4.42Å; R267-L270 WeakPolarHBondContact O-CB 2.92Å; R267-L270 PolarHBondContact O-N 2.88Å; R267-H273 VanDerWaalsContact O-CB 3.31Å; R267-H273 WeakPolarHBondContact O-CB 3.28Å; R267-H273 PolarHBondContact O-ND1 2.62Å
268K95.1Very high96.1Very high22 Ų2258.7 Ų58.710%0.09632%0.318CS..G310 helixtrans-55.3-25175.1-64176.7-177.3172.90112.2E256 L259 E265 A266 L270 Q274 L277E256-K268 IonicContact OE1-NZ 3.9Å; E256-K268 PolarHBondContact OE1-NZ 3.38Å; E256-K268 WeakPolarHBondContact OE2-CE 3.19Å; E256-K268 IonicContact OE2-NZ 3.41Å; E256-K268 PolarHBondContact OE2-NZ 3.3Å; E256-K268 VanDerWaalsContact OE2-NZ 3.1Å; L259-K268 HydrophobicContact CD1-CG 3.63Å; E265-K268 HydrophobicContact CB-CD 4.46Å; E265-K268 VanDerWaalsContact O-CB 3.26Å; E265-K268 WeakPolarHBondContact O-CB 3.41Å; E265-K268 WeakPolarHBondContact O-CG 3.26Å; E265-K268 PolarHBondContact O-N 2.85Å; E265-K268 IonicContact OE1-NZ 3.97Å; E265-K268 PolarHBondContact OE1-NZ 3.08Å; A266-K268 PolarHBondContact O-N 3.12Å; K268-L270 VanDerWaalsContact C-N 3.3Å; K268-L270 PolarHBondContact O-N 2.73Å; K268-Q274 WeakPolarHBondContact O-CG 3.06Å; K268-Q274 PolarHBondContact O-NE2 3.23Å; K268-L277 HydrophobicContact CB-CD1 4.18Å; K268-L277 HydrophobicContact CG-CD1 4.07Å
269Q95.3Very high96Very high158 Ų15861.2 Ų61.274%0.73834%0.344SS*.G310 helixtrans-78.8-11.1179.7-57.3-56.2-40.900113.9A266 R267A266-Q269 PolarHBondContact O-N 2.89Å; R267-Q269 PolarHBondContact O-N 2.91Å
270L94.7Very high96.1Very high57 Ų5765.2 Ų65.230%0.29836%0.364SS..SBendtrans-79.7150.2-179.5-58.7171.1000110.9R267 K268 Y272 H273 Q274R267-L270 HydrophobicContact CB-CD1 4.25Å; R267-L270 HydrophobicContact CG-CD1 4.42Å; R267-L270 WeakPolarHBondContact O-CB 2.92Å; R267-L270 PolarHBondContact O-N 2.88Å; K268-L270 VanDerWaalsContact C-N 3.3Å; K268-L270 PolarHBondContact O-N 2.73Å; L270-Y272 PolarHBondContact O-N 2.96Å; L270-H273 PolarHBondContact O-N 3.32Å; L270-Q274 PolarHBondContact O-N 3.27Å
271E95.5Very high96.1Very high121 Ų12159.2 Ų59.257%0.56534%0.338SS*.Hα-helixtrans-57.1-46.2-174.4-175.9-176.617300112.6H273 Q274 N275E271-H273 PolarHBondContact O-N 2.88Å; E271-Q274 PolarHBondContact O-N 2.81Å; E271-N275 PolarHBondContact O-N 3.42Å; E271-N275 PolarHBondContact O-ND2 3.37Å
272Y97.2Very high96.3Very high2 Ų254.5 Ų54.51%0.00832%0.318CS..Hα-helixtrans-56.5-49177.9173.1-92.2000112L49 K78 D220 M255 L270 N275 V276 Y281L49-Y272 HydrophobicContact CD2-CD2 3.83Å; L49-Y272 HydrophobicContact CD2-CG 4.35Å; K78-Y272 HydrophobicContact CB-CD1 4.26Å; K78-Y272 HydrophobicContact CB-CD2 3.86Å; K78-Y272 HydrophobicContact CB-CE1 4.01Å; K78-Y272 HydrophobicContact CB-CE2 3.61Å; K78-Y272 HydrophobicContact CB-CG 4.2Å; K78-Y272 HydrophobicContact CD-CD1 3.61Å; K78-Y272 HydrophobicContact CD-CE1 3.52Å; K78-Y272 HydrophobicContact CD-CG 4.23Å; K78-Y272 HydrophobicContact CG-CD1 4.06Å; K78-Y272 HydrophobicContact CG-CD2 4.5Å; K78-Y272 HydrophobicContact CG-CE1 3.58Å; K78-Y272 HydrophobicContact CG-CE2 4.09Å; K78-Y272 HydrophobicContact CG-CG 4.49Å; K78-Y272 VanDerWaalsContact O-CE2 3.24Å; K78-Y272 WeakPolarHBondContact O-CE2 3.47Å; D220-Y272 WeakPolarHBondContact O-CE1 3.17Å; M255-Y272 HydrophobicContact CE-CE1 4.01Å; L270-Y272 PolarHBondContact O-N 2.96Å; Y272-N275 PolarHBondContact O-N 2.56Å; Y272-V276 HydrophobicContact CE1-CG2 3.99Å; Y272-V276 HydrophobicContact CE2-CG2 4.31Å; Y272-V276 PolarHBondContact O-N 2.94Å; Y272-V276 VanDerWaalsContact O-N 3.13Å; Y272-Y281 HydrophobicContact CD2-CD2 4.09Å; Y272-Y281 AromaticContact CD2-CE2 3.53Å; Y272-Y281 HydrophobicContact CD2-CE2 3.53Å; Y272-Y281 HydrophobicContact CE2-CD2 4.03Å; Y272-Y281 AromaticContact CE2-CE2 3.92Å; Y272-Y281 HydrophobicContact CE2-CE2 3.92Å; Y272-Y281 HydrophobicContact CG-CE2 4.31Å
273H97.3Very high96.6Very high0 Ų053.8 Ų53.80%031%0.311CS..Hα-helixtrans-66.6-41.8-176.7-58.472.1000111.2D220 M255 R267 L270 E271 N275 V276 L277D220-H273 VanDerWaalsContact CB-NE2 3.28Å; D220-H273 WeakPolarHBondContact CB-NE2 3.49Å; D220-H273 IonicContact OD2-CE1 3.72Å; D220-H273 PolarHBondContact OD2-CE1 3.27Å; D220-H273 IonicContact OD2-NE2 2.73Å; D220-H273 PolarHBondContact OD2-NE2 2.72Å; M255-H273 HydrophobicContact SD-CB 4.08Å; R267-H273 VanDerWaalsContact O-CB 3.31Å; R267-H273 WeakPolarHBondContact O-CB 3.28Å; R267-H273 PolarHBondContact O-ND1 2.62Å; L270-H273 PolarHBondContact O-N 3.32Å; E271-H273 PolarHBondContact O-N 2.88Å; H273-N275 VanDerWaalsContact C-N 3.3Å; H273-N275 PolarHBondContact O-N 3.36Å; H273-V276 PolarHBondContact O-N 3.37Å; H273-L277 WeakPolarHBondContact O-CB 3.21Å; H273-L277 VanDerWaalsContact O-CG 3.27Å; H273-L277 WeakPolarHBondContact O-CG 3.43Å; H273-L277 PolarHBondContact O-N 3.09Å
274Q97.5Very high96.8Very high69 Ų6950.6 Ų50.632%0.32228%0.278SS..Hα-helixtrans-57.7-41.9172.9-75-65.8-3900112.2K268 L270 E271 V276 L277 N278K268-Q274 WeakPolarHBondContact O-CG 3.06Å; K268-Q274 PolarHBondContact O-NE2 3.23Å; L270-Q274 PolarHBondContact O-N 3.27Å; E271-Q274 PolarHBondContact O-N 2.81Å; Q274-V276 VanDerWaalsContact C-N 3.34Å; Q274-V276 PolarHBondContact O-N 3.39Å; Q274-L277 PolarHBondContact O-N 3.34Å; Q274-N278 VanDerWaalsContact O-CB 3.32Å; Q274-N278 WeakPolarHBondContact O-CB 3.32Å; Q274-N278 PolarHBondContact O-N 2.82Å; Q274-N278 PolarHBondContact O-ND2 3.14Å; Q274-N278 PolarHBondContact OE1-ND2 3.23Å; Q274-N278 VanDerWaalsContact OE1-ND2 3.17Å
275N97.9Very high97Very high35 Ų3549.2 Ų49.219%0.18727%0.269CS..Hα-helixtrans-68.9-29.7179.1-76.3-31.2000113.2E271 Y272 H273 I280 Y281E271-N275 PolarHBondContact O-N 3.42Å; E271-N275 PolarHBondContact O-ND2 3.37Å; Y272-N275 PolarHBondContact O-N 2.56Å; H273-N275 VanDerWaalsContact C-N 3.3Å; H273-N275 PolarHBondContact O-N 3.36Å; N275-I280 HydrophobicContact CB-CB 4.19Å; N275-I280 WeakPolarHBondContact O-CA 3.25Å; N275-I280 WeakPolarHBondContact O-CB 3.49Å; N275-I280 PolarHBondContact O-N 3.39Å; N275-Y281 HydrophobicContact CB-CD1 3.93Å; N275-Y281 HydrophobicContact CB-CD2 3.66Å; N275-Y281 HydrophobicContact CB-CE1 3.74Å; N275-Y281 HydrophobicContact CB-CE2 3.44Å; N275-Y281 VanDerWaalsContact CB-CE2 3.44Å; N275-Y281 HydrophobicContact CB-CG 3.9Å; N275-Y281 VanDerWaalsContact CB-CZ 3.48Å; N275-Y281 PolarHBondContact ND2-OH 3.45Å; N275-Y281 PolarHBondContact O-N 3.01Å; N275-Y281 VanDerWaalsContact O-N 3.11Å
276V98Very high97.1Very high2 Ų244.9 Ų44.91%0.01225%0.249CC..Hα-helixtrans-74.9-49.3172.1178.80000111.1M255 Y272 H273 Q274 N278 G279 Y281M255-V276 HydrophobicContact CE-CB 3.55Å; M255-V276 HydrophobicContact CE-CG1 3.57Å; M255-V276 HydrophobicContact CE-CG2 3.79Å; M255-V276 HydrophobicContact SD-CB 3.92Å; M255-V276 HydrophobicContact SD-CG1 4.03Å; Y272-V276 HydrophobicContact CE1-CG2 3.99Å; Y272-V276 HydrophobicContact CE2-CG2 4.31Å; Y272-V276 PolarHBondContact O-N 2.94Å; Y272-V276 VanDerWaalsContact O-N 3.13Å; H273-V276 PolarHBondContact O-N 3.37Å; Q274-V276 VanDerWaalsContact C-N 3.34Å; Q274-V276 PolarHBondContact O-N 3.39Å; V276-N278 PolarHBondContact O-N 3.36Å; V276-G279 PolarHBondContact O-N 2.75Å; V276-Y281 HydrophobicContact CG2-CD2 3.84Å
277L98.1Very high97.3Very high36 Ų3640.9 Ų40.919%0.18822%0.215CC..Hα-helixtrans-61.1-32.9-177.6-68.8168.6000112.8M255 E256 K268 H273 Q274 G279M255-L277 HydrophobicContact CB-CD2 4.19Å; M255-L277 HydrophobicContact CG-CD2 4.11Å; M255-L277 HydrophobicContact SD-CD1 4.47Å; M255-L277 HydrophobicContact SD-CD2 4.04Å; M255-L277 HydrophobicContact SD-CG 3.86Å; E256-L277 HydrophobicContact CB-CD2 4.43Å; K268-L277 HydrophobicContact CB-CD1 4.18Å; K268-L277 HydrophobicContact CG-CD1 4.07Å; H273-L277 WeakPolarHBondContact O-CB 3.21Å; H273-L277 VanDerWaalsContact O-CG 3.27Å; H273-L277 WeakPolarHBondContact O-CG 3.43Å; H273-L277 PolarHBondContact O-N 3.09Å; Q274-L277 PolarHBondContact O-N 3.34Å; L277-G279 VanDerWaalsContact C-N 3.34Å
278N98Very high97.5Very high106 Ų10639.4 Ų39.457%0.56721%0.212SC*.THydrogen-bonded Turntrans-90.37177.8-64.7-55.7000113.7Q274 V276 I280Q274-N278 VanDerWaalsContact O-CB 3.32Å; Q274-N278 WeakPolarHBondContact O-CB 3.32Å; Q274-N278 PolarHBondContact O-N 2.82Å; Q274-N278 PolarHBondContact O-ND2 3.14Å; Q274-N278 PolarHBondContact OE1-ND2 3.23Å; Q274-N278 VanDerWaalsContact OE1-ND2 3.17Å; V276-N278 PolarHBondContact O-N 3.36Å; N278-I280 VanDerWaalsContact C-N 3.26Å; N278-I280 HydrophobicContact CB-CG1 4.21Å; N278-I280 PolarHBondContact O-N 2.62Å
279G96.8Very high97.7Very high53 Ų5338.3 Ų38.355%0.54621%0.207SC..THydrogen-bonded Turntrans6721.3177.900000115V276 L277V276-G279 PolarHBondContact O-N 2.75Å; L277-G279 VanDerWaalsContact C-N 3.34Å
280I98Very high97.8Very high84 Ų8431.2 Ų31.243%0.43118%0.177SC..  trans-75.2-43.2177.8-59.2-61.4000110.7H85 N275 N278H85-I280 PolarHBondContact CE1-O 3.12Å; H85-I280 VanDerWaalsContact CE1-O 3.31Å; H85-I280 PolarHBondContact ND1-O 2.64Å; N275-I280 HydrophobicContact CB-CB 4.19Å; N275-I280 WeakPolarHBondContact O-CA 3.25Å; N275-I280 WeakPolarHBondContact O-CB 3.49Å; N275-I280 PolarHBondContact O-N 3.39Å; N278-I280 VanDerWaalsContact C-N 3.26Å; N278-I280 HydrophobicContact CB-CG1 4.21Å; N278-I280 PolarHBondContact O-N 2.62Å
281Y98.2Very high98Very high15 Ų1528.9 Ų28.96%0.05916%0.164CC..SBendtrans-80141.3175.8-69.9-18.2000111.8M82 H85 Y272 N275 V276M82-Y281 HydrophobicContact CB-CE1 4.25Å; M82-Y281 HydrophobicContact CB-CE2 4.02Å; M82-Y281 HydrophobicContact CG-CE1 4.13Å; M82-Y281 HydrophobicContact CG-CE2 4.45Å; M82-Y281 WeakPolarHBondContact CG-OH 3.23Å; H85-Y281 HydrophobicContact CB-CD1 3.71Å; H85-Y281 HydrophobicContact CB-CE1 4.17Å; H85-Y281 AromaticContact CG-CD1 3.75Å; Y272-Y281 HydrophobicContact CD2-CD2 4.09Å; Y272-Y281 AromaticContact CD2-CE2 3.53Å; Y272-Y281 HydrophobicContact CD2-CE2 3.53Å; Y272-Y281 HydrophobicContact CE2-CD2 4.03Å; Y272-Y281 AromaticContact CE2-CE2 3.92Å; Y272-Y281 HydrophobicContact CE2-CE2 3.92Å; Y272-Y281 HydrophobicContact CG-CE2 4.31Å; N275-Y281 HydrophobicContact CB-CD1 3.93Å; N275-Y281 HydrophobicContact CB-CD2 3.66Å; N275-Y281 HydrophobicContact CB-CE1 3.74Å; N275-Y281 HydrophobicContact CB-CE2 3.44Å; N275-Y281 VanDerWaalsContact CB-CE2 3.44Å; N275-Y281 HydrophobicContact CB-CG 3.9Å; N275-Y281 VanDerWaalsContact CB-CZ 3.48Å; N275-Y281 PolarHBondContact ND2-OH 3.45Å; N275-Y281 PolarHBondContact O-N 3.01Å; N275-Y281 VanDerWaalsContact O-N 3.11Å; V276-Y281 HydrophobicContact CG2-CD2 3.84Å
282P98.3Very high98.1Very high29 Ų2923.1 Ų23.119%0.18814%0.137CC..PPolyproline II helixtrans-63.3160.4-179.428.3-35.5000111.1R81 L84 I124 T284R81-P282 VanDerWaalsContact CZ-O 3.24Å; R81-P282 PolarHBondContact NE-O 3.18Å; R81-P282 PolarHBondContact NH2-O 2.9Å; L84-P282 HydrophobicContact CB-CG 4.35Å; I124-P282 HydrophobicContact CD1-CB 4.27Å; I124-P282 HydrophobicContact CD1-CG 4.19Å; I124-P282 HydrophobicContact CG1-CB 4.18Å; I124-P282 HydrophobicContact CG1-CG 4.15Å; I124-P282 HydrophobicContact CG2-CB 4.01Å; P282-T284 HydrophobicContact CB-CG2 4.44Å; P282-T284 HydrophobicContact CG-CG2 4.09Å
283L98.6Very high98.2Very high29 Ų2924.7 Ų24.715%0.15214%0.143CC..PPolyproline II helixtrans-75.7135.5167-57172.2000108.6I124 I125 R127 D251I124-L283 WeakPolarHBondContact CA-O 3.31Å; I125-L283 HydrophobicContact CG1-CB 4.05Å; I125-L283 PolarHBondContact N-O 2.98Å; R127-L283 HydrophobicContact CB-CD1 3.71Å; R127-L283 HydrophobicContact CG-CD1 4.32Å; D251-L283 HydrophobicContact CB-CD2 4Å
284T98.8Very high98.2Very high0 Ų024.7 Ų24.70%014%0.143CC..EExtended strand (participates in β ladder)trans-138.5159.1-174.261.70000112.3R81 L84 E122 I123 I124 R249 P282R81-T284 HydrophobicContact CG-CG2 4.01Å; L84-T284 HydrophobicContact CD1-CG2 3.58Å; E122-T284 HydrophobicContact CG-CG2 4.22Å; E122-T284 VanDerWaalsContact OE1-CB 3.29Å; E122-T284 WeakPolarHBondContact OE1-CB 3.48Å; E122-T284 PolarHBondContact OE1-OG1 3.39Å; I123-T284 CarbonylContact O-C 3.55Å; I123-T284 WeakPolarHBondContact O-CA 3.48Å; I123-T284 WeakPolarHBondContact O-CB 3.5Å; I124-T284 HydrophobicContact CG1-CG2 4.43Å; R249-T284 WeakPolarHBondContact CG-OG1 3.46Å; R249-T284 PolarHBondContact N-O 3.16Å; P282-T284 HydrophobicContact CB-CG2 4.44Å; P282-T284 HydrophobicContact CG-CG2 4.09Å
285I98.8Very high98.3Very high0 Ų021.4 Ų21.40%013%0.128CC..EExtended strand (participates in β ladder)trans-117.3140.6160-173.9173.2000107.3W121 E122 I123 I125 L135 V138 G247 I248W121-I285 HydrophobicContact CH2-CG1 4.19Å; W121-I285 HydrophobicContact CZ3-CG2 4.32Å; E122-I285 CarbonylContact C-O 3.55Å; E122-I285 WeakPolarHBondContact CA-O 3.31Å; I123-I285 HydrophobicContact CB-CG2 4.03Å; I123-I285 PolarHBondContact N-O 3.08Å; I123-I285 PolarHBondContact O-N 3.27Å; I125-I285 HydrophobicContact CG2-CB 4.2Å; I125-I285 HydrophobicContact CG2-CG2 3.59Å; L135-I285 HydrophobicContact CD1-CD1 4.1Å; V138-I285 HydrophobicContact CB-CD1 3.8Å; V138-I285 HydrophobicContact CG1-CD1 4.02Å; V138-I285 HydrophobicContact CG2-CD1 3.94Å; V138-I285 HydrophobicContact CG2-CG2 4.44Å; G247-I285 WeakPolarHBondContact O-CA 3.42Å; G247-I285 WeakPolarHBondContact O-CG1 3.41Å; I248-I285 HydrophobicContact CG1-CB 4.2Å; I248-I285 HydrophobicContact CG1-CD1 3.9Å; I248-I285 HydrophobicContact CG1-CG1 4.01Å
286G98.7Very high98.3Very high0 Ų019.8 Ų19.80%012%0.119CC..EExtended strand (participates in β ladder)trans-161.2178.6177.800000113.1W121 M246 G247 R249W121-G286 VanDerWaalsContact O-CA 3.27Å; W121-G286 WeakPolarHBondContact O-CA 3.42Å; M246-G286 CarbonylContact C-O 3.59Å; M246-G286 VanDerWaalsContact CA-O 3.22Å; M246-G286 WeakPolarHBondContact CA-O 3.45Å; M246-G286 VanDerWaalsContact CB-O 3.26Å; M246-G286 WeakPolarHBondContact CB-O 3.41Å; G247-G286 PolarHBondContact N-O 2.86Å; G247-G286 PolarHBondContact O-N 3.15Å; R249-G286 VanDerWaalsContact CZ-O 3.29Å; R249-G286 PolarHBondContact NH1-O 3.07Å; R249-G286 VanDerWaalsContact NH2-CA 3.29Å; R249-G286 PolarHBondContact NH2-O 3.22Å
287G98.4Very high98.3Very high2 Ų219.8 Ų19.82%0.02112%0.119CC..EExtended strand (participates in β ladder)trans-172.8177.7178.100000113K80 W121 S245 R249K80-G287 PolarHBondContact NZ-O 3.06Å; W121-G287 PolarHBondContact N-O 2.88Å; W121-G287 PolarHBondContact NE1-O 3.31Å; W121-G287 PolarHBondContact O-N 2.9Å; S245-G287 CarbonylContact O-C 3.6Å; S245-G287 WeakPolarHBondContact O-CA 3.48Å; R249-G287 VanDerWaalsContact NH2-N 3.1Å
288G98.2Very high98.3Very high7 Ų718.2 Ų18.27%0.07211%0.11CC..EExtended strand (participates in β ladder)trans-120.7134.1170.200000109.3S244 S245S244-G288 WeakPolarHBondContact CA-O 3.37Å; S244-G288 WeakPolarHBondContact CB-O 3.27Å; S244-G288 PolarHBondContact OG-O 2.83Å; S245-G288 PolarHBondContact N-O 2.91Å; S245-G288 PolarHBondContact O-N 2.86Å
289I98.7Very high98.3Very high0 Ų013.1 Ų13.10%08%0.083CC..EExtended strand (participates in β ladder)trans-115.8117.8174.7-58158000107.5F24 L28 Q118 W119 I142 M146 L243 S244 Q291 L294F24-I289 HydrophobicContact CE1-CB 4.5Å; F24-I289 HydrophobicContact CE1-CD1 3.84Å; F24-I289 HydrophobicContact CE1-CG2 4Å; F24-I289 HydrophobicContact CZ-CD1 3.89Å; F24-I289 HydrophobicContact CZ-CG2 4.23Å; L28-I289 HydrophobicContact CD1-CD1 3.92Å; L28-I289 HydrophobicContact CD2-CD1 4.15Å; Q118-I289 CarbonylContact C-O 3.51Å; Q118-I289 WeakPolarHBondContact CA-O 3.39Å; W119-I289 HydrophobicContact CB-CB 4.42Å; W119-I289 HydrophobicContact CE3-CB 4.13Å; W119-I289 HydrophobicContact CE3-CG2 3.92Å; W119-I289 HydrophobicContact CZ3-CG2 4.34Å; W119-I289 PolarHBondContact N-O 2.86Å; W119-I289 PolarHBondContact O-N 3.31Å; I142-I289 HydrophobicContact CG2-CD1 3.89Å; M146-I289 HydrophobicContact CE-CG2 4.1Å; L243-I289 WeakPolarHBondContact O-CA 3.37Å; S244-I289 WeakPolarHBondContact OG-CG1 3.06Å; I289-Q291 PolarHBondContact O-N 3.2Å; I289-L294 HydrophobicContact CG2-CD1 4.22Å
290G98.4Very high98.3Very high9 Ų911 Ų119%0.0936%0.059CC..EExtended strand (participates in β ladder)trans-66.1115.2-174.600000112D117 L243 R293 L294D117-G290 CarbonylContact O-C 3.59Å; D117-G290 WeakPolarHBondContact O-CA 3.41Å; L243-G290 PolarHBondContact O-N 3.21Å; G290-R293 PolarHBondContact O-N 2.94Å; G290-L294 VanDerWaalsContact O-CB 3.28Å; G290-L294 WeakPolarHBondContact O-CB 3.37Å; G290-L294 PolarHBondContact O-N 2.71Å
291Q98.6Very high98.2Very high7 Ų77.3 Ų7.33%0.0334%0.04CC..Hα-helixtrans-66.9-48.3-175.1-50.4-171.221.400110.9D98 D117 Q118 W119 I289 L294 C295D98-Q291 PolarHBondContact OD1-NE2 3.26Å; D117-Q291 HydrophobicContact CB-CB 4.35Å; D117-Q291 HydrophobicContact CB-CG 4.34Å; D117-Q291 PolarHBondContact O-N 3.35Å; Q118-Q291 PolarHBondContact O-NE2 3.19Å; W119-Q291 HydrophobicContact CD2-CG 3.74Å; W119-Q291 HydrophobicContact CE3-CB 4.3Å; W119-Q291 HydrophobicContact CE3-CG 3.76Å; W119-Q291 HydrophobicContact CG-CG 4.36Å; W119-Q291 HydrophobicContact CH2-CB 3.86Å; W119-Q291 HydrophobicContact CH2-CG 3.97Å; W119-Q291 HydrophobicContact CZ2-CB 4.18Å; W119-Q291 HydrophobicContact CZ2-CG 3.92Å; W119-Q291 HydrophobicContact CZ3-CB 3.92Å; W119-Q291 HydrophobicContact CZ3-CG 3.89Å; I289-Q291 PolarHBondContact O-N 3.2Å; Q291-L294 PolarHBondContact O-N 3.1Å; Q291-C295 WeakPolarHBondContact O-CB 3.24Å; Q291-C295 PolarHBondContact O-N 3.04Å; Q291-C295 PolarHBondContact O-SG 3.43Å
292S98.6Very high98.1Very high0 Ų010.1 Ų10.10%05%0.052CC..Hα-helixtrans-67.7-37.5178.1-64.40000112.1R21 D117 C295 M296 V307 Q308R21-S292 PolarHBondContact NH2-OG 3.13Å; D117-S292 WeakPolarHBondContact OD1-CB 3.47Å; D117-S292 PolarHBondContact OD1-N 3.18Å; D117-S292 PolarHBondContact OD1-OG 2.78Å; D117-S292 PolarHBondContact OD2-OG 3.44Å; S292-C295 WeakPolarHBondContact O-CB 3.22Å; S292-C295 PolarHBondContact O-N 3.14Å; S292-M296 VanDerWaalsContact O-CB 3.27Å; S292-M296 WeakPolarHBondContact O-CB 3.25Å; S292-M296 PolarHBondContact O-N 3.38Å; S292-V307 WeakPolarHBondContact O-CG2 3.46Å; S292-Q308 WeakPolarHBondContact OG-CB 3.21Å
293R98.3Very high98.1Very high36 Ų369 Ų914%0.1365%0.045CC..Hα-helixtrans-63.5-44.3174.5-70.9-170.3-179.6167.5-4.6111.8L111 H112 E242 L243 G290 C295 M296 F297 I304L111-R293 PolarHBondContact O-NE 3.2Å; H112-R293 PolarHBondContact CD2-NH2 3.41Å; H112-R293 VanDerWaalsContact CD2-NH2 3.34Å; H112-R293 PolarHBondContact NE2-NH2 2.85Å; E242-R293 WeakPolarHBondContact O-CD 3.45Å; E242-R293 PolarHBondContact O-NH1 2.64Å; E242-R293 IonicContact OE1-NH1 2.74Å; E242-R293 PolarHBondContact OE1-NH1 3.43Å; E242-R293 IonicContact OE2-CZ 2.81Å; E242-R293 IonicContact OE2-NH1 3.49Å; E242-R293 PolarHBondContact OE2-NH1 2.98Å; E242-R293 IonicContact OE2-NH2 3.8Å; L243-R293 HydrophobicContact CD2-CB 4.35Å; G290-R293 PolarHBondContact O-N 2.94Å; R293-C295 PolarHBondContact O-N 3.24Å; R293-M296 PolarHBondContact O-N 2.92Å; R293-F297 WeakPolarHBondContact O-CB 3.17Å; R293-F297 PolarHBondContact O-N 3.31Å; R293-I304 HydrophobicContact CG-CD1 3.91Å
294L98.3Very high98.1Very high0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-60.8-45.5175.4-161.192.9000111.2L20 F24 W119 M146 L243 I289 G290 Q291 F298L20-L294 HydrophobicContact CD2-CD2 3.77Å; F24-L294 HydrophobicContact CB-CD2 4.19Å; F24-L294 HydrophobicContact CD1-CD2 4.03Å; F24-L294 HydrophobicContact CD2-CD2 3.93Å; F24-L294 HydrophobicContact CE1-CD2 4.42Å; F24-L294 HydrophobicContact CE2-CD2 4.35Å; F24-L294 HydrophobicContact CG-CD2 3.76Å; W119-L294 HydrophobicContact CH2-CD2 3.91Å; W119-L294 HydrophobicContact CZ3-CB 4.08Å; W119-L294 HydrophobicContact CZ3-CD2 3.6Å; W119-L294 HydrophobicContact CZ3-CG 4.39Å; M146-L294 HydrophobicContact CE-CD1 3.95Å; M146-L294 HydrophobicContact CG-CD1 4.23Å; M146-L294 HydrophobicContact SD-CD1 4.31Å; L243-L294 HydrophobicContact CD1-CD1 4.25Å; I289-L294 HydrophobicContact CG2-CD1 4.22Å; G290-L294 VanDerWaalsContact O-CB 3.28Å; G290-L294 WeakPolarHBondContact O-CB 3.37Å; G290-L294 PolarHBondContact O-N 2.71Å; Q291-L294 PolarHBondContact O-N 3.1Å; L294-F298 HydrophobicContact CD1-CD2 4.43Å; L294-F298 HydrophobicContact CD1-CE2 3.87Å; L294-F298 HydrophobicContact CD2-CD2 4.25Å; L294-F298 HydrophobicContact CD2-CE2 4.04Å; L294-F298 HydrophobicContact CG-CD2 3.81Å; L294-F298 HydrophobicContact CG-CE2 3.69Å; L294-F298 WeakPolarHBondContact O-CD2 3.34Å; L294-F298 PolarHBondContact O-N 3.09Å; L294-F298 VanDerWaalsContact O-N 3.09Å
295C98.5Very high98Very high0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-57.6-52.5175.1-74.20000111.6Q291 S292 R293 F297 F298 M299 V307Q291-C295 WeakPolarHBondContact O-CB 3.24Å; Q291-C295 PolarHBondContact O-N 3.04Å; Q291-C295 PolarHBondContact O-SG 3.43Å; S292-C295 WeakPolarHBondContact O-CB 3.22Å; S292-C295 PolarHBondContact O-N 3.14Å; R293-C295 PolarHBondContact O-N 3.24Å; C295-F297 VanDerWaalsContact C-N 3.35Å; C295-F297 PolarHBondContact O-N 3.34Å; C295-F298 PolarHBondContact O-N 3.09Å; C295-M299 HydrophobicContact CB-CE 3.46Å; C295-M299 VanDerWaalsContact CB-CE 3.46Å; C295-M299 VanDerWaalsContact O-CB 3.32Å; C295-M299 WeakPolarHBondContact O-CB 3.26Å; C295-M299 WeakPolarHBondContact O-CE 3.41Å; C295-M299 WeakPolarHBondContact O-CG 3.39Å; C295-M299 PolarHBondContact O-N 2.92Å; C295-V307 HydrophobicContact CB-CB 4.06Å; C295-V307 HydrophobicContact CB-CG1 4.3Å; C295-V307 HydrophobicContact CB-CG2 4.02Å
296M97.6Very high98Very high0 Ų08.3 Ų8.30%04%0.041CC..Hα-helixtrans-58.3-46.2-178.6-173.5-161.972.600111.3L111 I241 S292 R293 E300 K301 I304 V307L111-M296 HydrophobicContact CD2-CE 3.15Å; L111-M296 HydrophobicContact CD2-SD 3.97Å; I241-M296 HydrophobicContact CD1-CE 3.63Å; I241-M296 HydrophobicContact CG2-CE 4.42Å; S292-M296 VanDerWaalsContact O-CB 3.27Å; S292-M296 WeakPolarHBondContact O-CB 3.25Å; S292-M296 PolarHBondContact O-N 3.38Å; R293-M296 PolarHBondContact O-N 2.92Å; M296-E300 PolarHBondContact O-N 3.17Å; M296-E300 VanDerWaalsContact O-N 3.14Å; M296-K301 HydrophobicContact CB-CB 4.37Å; M296-K301 HydrophobicContact CG-CB 3.69Å; M296-K301 WeakPolarHBondContact CG-O 3.31Å; M296-K301 PolarHBondContact O-N 2.83Å; M296-I304 HydrophobicContact SD-CB 3.95Å; M296-I304 PolarHBondContact SD-N 3.34Å; M296-I304 VanDerWaalsContact SD-N 3.39Å; M296-V307 HydrophobicContact CB-CG2 3.97Å
297F98.1Very high98Very high3 Ų38.5 Ų8.51%0.0134%0.042CC..Hα-helixtrans-61.5-54.1178.7172.3-110.8000112.4K163 L164 V232 I241 L243 R293 C295 M299 E300K163-F297 HydrophobicContact CB-CZ 3.93Å; K163-F297 HydrophobicContact CD-CE1 4.38Å; K163-F297 HydrophobicContact CD-CE2 4Å; K163-F297 HydrophobicContact CD-CZ 3.9Å; L164-F297 HydrophobicContact CD2-CE1 3.75Å; L164-F297 HydrophobicContact CD2-CZ 3.92Å; L164-F297 HydrophobicContact CG-CE1 4.17Å; V232-F297 HydrophobicContact CB-CE2 4.14Å; V232-F297 HydrophobicContact CB-CZ 4.04Å; V232-F297 HydrophobicContact CG2-CD1 4.29Å; V232-F297 HydrophobicContact CG2-CD2 3.7Å; V232-F297 HydrophobicContact CG2-CE1 4.15Å; V232-F297 HydrophobicContact CG2-CE2 3.53Å; V232-F297 HydrophobicContact CG2-CG 4.07Å; V232-F297 HydrophobicContact CG2-CZ 3.77Å; I241-F297 HydrophobicContact CD1-CB 4.45Å; I241-F297 HydrophobicContact CD1-CD2 4.14Å; L243-F297 HydrophobicContact CD1-CD1 4.26Å; L243-F297 HydrophobicContact CD2-CB 4.13Å; L243-F297 HydrophobicContact CD2-CG 4.48Å; R293-F297 WeakPolarHBondContact O-CB 3.17Å; R293-F297 PolarHBondContact O-N 3.31Å; C295-F297 VanDerWaalsContact C-N 3.35Å; C295-F297 PolarHBondContact O-N 3.34Å; F297-M299 PolarHBondContact O-N 3.46Å; F297-E300 PolarHBondContact O-N 2.85Å
298F98Very high97.9Very high2 Ų28.7 Ų8.71%0.0094%0.043CC..Hα-helixtrans-68.9-34.5-175.1-78.8-55.5000113.2L20 M146 E150 L153 K163 L164 L294 C295 E300L20-F298 HydrophobicContact CD1-CB 3.78Å; L20-F298 HydrophobicContact CD1-CD2 3.97Å; L20-F298 HydrophobicContact CD1-CG 4.31Å; M146-F298 HydrophobicContact CB-CZ 4.15Å; E150-F298 HydrophobicContact CB-CD1 4.08Å; E150-F298 HydrophobicContact CB-CE1 3.5Å; E150-F298 HydrophobicContact CB-CZ 4.12Å; E150-F298 HydrophobicContact CG-CD1 3.96Å; E150-F298 HydrophobicContact CG-CE1 3.71Å; L153-F298 HydrophobicContact CD2-CB 3.65Å; L153-F298 HydrophobicContact CD2-CG 4.44Å; K163-F298 PolarHBondContact NZ-O 2.99Å; L164-F298 HydrophobicContact CD1-CE1 3.84Å; L164-F298 HydrophobicContact CD1-CZ 3.73Å; L164-F298 HydrophobicContact CG-CE1 4.16Å; L164-F298 HydrophobicContact CG-CZ 4.48Å; L294-F298 HydrophobicContact CD1-CD2 4.43Å; L294-F298 HydrophobicContact CD1-CE2 3.87Å; L294-F298 HydrophobicContact CD2-CD2 4.25Å; L294-F298 HydrophobicContact CD2-CE2 4.04Å; L294-F298 HydrophobicContact CG-CD2 3.81Å; L294-F298 HydrophobicContact CG-CE2 3.69Å; L294-F298 WeakPolarHBondContact O-CD2 3.34Å; L294-F298 PolarHBondContact O-N 3.09Å; L294-F298 VanDerWaalsContact O-N 3.09Å; C295-F298 PolarHBondContact O-N 3.09Å; F298-E300 VanDerWaalsContact C-N 3.29Å; F298-E300 PolarHBondContact O-N 3.37Å
299M97.6Very high97.8Very high0 Ų012.8 Ų12.80%07%0.066CC..THydrogen-bonded Turntrans-84.83.5177.5-65.1-175-78.100114.1L8 T13 A16 I17 L160 C295 F297 K301 V307L8-M299 HydrophobicContact CD1-CB 4.49Å; L8-M299 HydrophobicContact CD1-CG 4.23Å; L8-M299 HydrophobicContact CD1-SD 4.18Å; T13-M299 HydrophobicContact CG2-SD 4.38Å; A16-M299 HydrophobicContact CB-CG 4.4Å; A16-M299 HydrophobicContact CB-SD 3.53Å; A16-M299 VanDerWaalsContact CB-SD 3.53Å; I17-M299 HydrophobicContact CG1-CE 3.54Å; I17-M299 HydrophobicContact CG1-SD 4.29Å; L160-M299 HydrophobicContact CD1-CG 4.42Å; C295-M299 HydrophobicContact CB-CE 3.46Å; C295-M299 VanDerWaalsContact CB-CE 3.46Å; C295-M299 VanDerWaalsContact O-CB 3.32Å; C295-M299 WeakPolarHBondContact O-CB 3.26Å; C295-M299 WeakPolarHBondContact O-CE 3.41Å; C295-M299 WeakPolarHBondContact O-CG 3.39Å; C295-M299 PolarHBondContact O-N 2.92Å; F297-M299 PolarHBondContact O-N 3.46Å; M299-K301 VanDerWaalsContact C-N 3.29Å; M299-K301 HydrophobicContact CB-CG 3.9Å; M299-K301 PolarHBondContact O-N 3.07Å; M299-V307 HydrophobicContact CE-CB 4.19Å; M299-V307 HydrophobicContact CE-CG1 3.39Å
300E96.9Very high97.7Very high9 Ų914 Ų144%0.0428%0.075CC..THydrogen-bonded Turntrans57.142.6177.7-60.9171-143.900112.7K7 N161 K163 H236 M296 F297 F298K7-E300 HydrophobicContact CD-CB 4.42Å; K7-E300 VanDerWaalsContact CD-OE2 3.26Å; K7-E300 WeakPolarHBondContact CD-OE2 3.48Å; K7-E300 WeakPolarHBondContact CE-OE2 3.27Å; K7-E300 VanDerWaalsContact NZ-CD 3.29Å; K7-E300 IonicContact NZ-OE1 3.27Å; K7-E300 PolarHBondContact NZ-OE1 3.23Å; K7-E300 IonicContact NZ-OE2 2.7Å; K7-E300 PolarHBondContact NZ-OE2 3.13Å; N161-E300 PolarHBondContact N-OE1 3.01Å; K163-E300 VanDerWaalsContact CE-CD 3.49Å; K163-E300 VanDerWaalsContact CE-OE1 3.28Å; K163-E300 WeakPolarHBondContact CE-OE1 3.34Å; K163-E300 IonicContact NZ-OE1 3.2Å; K163-E300 PolarHBondContact NZ-OE1 2.61Å; H236-E300 HydrophobicContact CB-CB 4.46Å; M296-E300 PolarHBondContact O-N 3.17Å; M296-E300 VanDerWaalsContact O-N 3.14Å; F297-E300 PolarHBondContact O-N 2.85Å; F298-E300 VanDerWaalsContact C-N 3.29Å; F298-E300 PolarHBondContact O-N 3.37Å
301K96.8Very high97.6Very high6 Ų619.5 Ų19.53%0.02610%0.1CC..  trans-87.2141177.3-58.2-65.6-174.6163.60109.3S6 L8 T13 R239 M296 M299 E306 V307S6-K301 PolarHBondContact OG-NZ 3.36Å; L8-K301 PolarHBondContact O-NZ 3.35Å; L8-K301 VanDerWaalsContact O-NZ 3.12Å; T13-K301 PolarHBondContact OG1-NZ 3.01Å; R239-K301 PolarHBondContact NH2-O 3.41Å; M296-K301 HydrophobicContact CB-CB 4.37Å; M296-K301 HydrophobicContact CG-CB 3.69Å; M296-K301 WeakPolarHBondContact CG-O 3.31Å; M296-K301 PolarHBondContact O-N 2.83Å; M299-K301 VanDerWaalsContact C-N 3.29Å; M299-K301 HydrophobicContact CB-CG 3.9Å; M299-K301 PolarHBondContact O-N 3.07Å; K301-E306 HydrophobicContact CB-CB 4.09Å; K301-E306 HydrophobicContact CD-CB 4.01Å; K301-E306 WeakPolarHBondContact CD-OE2 3.48Å; K301-E306 HydrophobicContact CG-CB 4.2Å; K301-V307 HydrophobicContact CB-CG1 4.39Å; K301-V307 HydrophobicContact CG-CG1 3.77Å
302K96.2Very high97.5Very high73 Ų7320 Ų2032%0.31710%0.102SC..SBendtrans-79.2-32.9179.5-77.2-160.8170.7-164.40112.2Y4 P110 H236 R239 E306 I325Y4-K302 HydrophobicContact CD1-CD 4.28Å; Y4-K302 HydrophobicContact CD2-CD 3.65Å; Y4-K302 HydrophobicContact CD2-CG 3.77Å; Y4-K302 HydrophobicContact CE2-CD 4.19Å; Y4-K302 HydrophobicContact CE2-CG 3.77Å; Y4-K302 HydrophobicContact CG-CD 3.69Å; Y4-K302 HydrophobicContact CG-CG 4.16Å; P110-K302 WeakPolarHBondContact CB-O 3.47Å; H236-K302 WeakPolarHBondContact NE2-CE 3.13Å; R239-K302 PolarHBondContact NH1-O 2.74Å; R239-K302 PolarHBondContact NH2-O 2.98Å; K302-E306 WeakPolarHBondContact CA-OE1 3.38Å; K302-E306 PolarHBondContact N-OE1 3.26Å; K302-I325 HydrophobicContact CB-CD1 3.93Å; K302-I325 HydrophobicContact CB-CG1 4.38Å; K302-I325 HydrophobicContact CD-CD1 4.36Å
303H97.5Very high97.4Very high6 Ų621.8 Ų21.83%0.02811%0.113CC..SBendtrans-127.2136.2-175.2-161.9-81.3000110.8P110 G305 E306 W312 I325 L327P110-H303 VanDerWaalsContact CA-CD2 3.48Å; P110-H303 WeakPolarHBondContact CA-CD2 3.44Å; H303-G305 PolarHBondContact ND1-N 3.2Å; H303-G305 PolarHBondContact O-N 2.84Å; H303-G305 VanDerWaalsContact O-N 3.16Å; H303-E306 HydrophobicContact CB-CG 4.3Å; H303-E306 PolarHBondContact N-OE1 2.58Å; H303-E306 VanDerWaalsContact O-CB 3.31Å; H303-E306 WeakPolarHBondContact O-CB 3.45Å; H303-E306 WeakPolarHBondContact O-CG 3.28Å; H303-E306 PolarHBondContact O-N 2.74Å; H303-W312 AromaticContact CE1-CD2 3.99Å; H303-W312 AromaticContact CE1-CE2 3.97Å; H303-W312 AromaticContact CE1-CE3 3.71Å; H303-W312 AromaticContact CE1-CH2 3.48Å; H303-W312 VanDerWaalsContact CE1-CH2 3.48Å; H303-W312 WeakPolarHBondContact CE1-CH2 3.42Å; H303-W312 AromaticContact CE1-CZ2 3.75Å; H303-W312 AromaticContact CE1-CZ3 3.45Å; H303-W312 VanDerWaalsContact CE1-CZ3 3.45Å; H303-W312 WeakPolarHBondContact CE1-CZ3 3.44Å; H303-I325 HydrophobicContact CB-CG2 3.65Å; H303-L327 HydrophobicContact CB-CD2 4.39Å; H303-L327 VanDerWaalsContact ND1-CD2 3.32Å; H303-L327 WeakPolarHBondContact ND1-CD2 3.3Å
304I98.2Very high97.3Very high8 Ų824 Ų244%0.04113%0.126CC..G310 helixtrans-59.3-29.7179.5-164.7170.7000112.1P110 R293 M296 E306 V307 Q308 W312P110-I304 WeakPolarHBondContact O-CB 3.45Å; P110-I304 PolarHBondContact O-N 3.35Å; R293-I304 HydrophobicContact CG-CD1 3.91Å; M296-I304 HydrophobicContact SD-CB 3.95Å; M296-I304 PolarHBondContact SD-N 3.34Å; M296-I304 VanDerWaalsContact SD-N 3.39Å; I304-E306 PolarHBondContact O-N 2.94Å; I304-V307 HydrophobicContact CG1-CG2 4.46Å; I304-V307 WeakPolarHBondContact O-CG2 3.38Å; I304-V307 PolarHBondContact O-N 3.25Å; I304-Q308 PolarHBondContact O-N 2.91Å; I304-Q308 VanDerWaalsContact O-N 3.15Å; I304-W312 HydrophobicContact CG2-CH2 3.57Å; I304-W312 HydrophobicContact CG2-CZ2 4.15Å
305G98.1Very high97.2Very high0 Ų030 Ų300%015%0.153CC..G310 helixtrans-63.7-12.1172.500000115.4H303 V307 Q308 L327 L328H303-G305 PolarHBondContact ND1-N 3.2Å; H303-G305 PolarHBondContact O-N 2.84Å; H303-G305 VanDerWaalsContact O-N 3.16Å; G305-V307 PolarHBondContact O-N 3.27Å; G305-Q308 CarbonylContact C-O 3.48Å; G305-Q308 WeakPolarHBondContact CA-O 3.42Å; G305-L327 WeakPolarHBondContact O-CA 3.48Å; G305-L328 PolarHBondContact O-N 3.44Å
306E98.2Very high97.1Very high6 Ų630.6 Ų30.63%0.02816%0.156CC..G310 helixtrans-74.8-13.3170.2-61.5179.6-105.900112.4Y4 T13 K301 K302 H303 I304 I325 F326 L328Y4-E306 WeakPolarHBondContact CE1-OE2 3.32Å; Y4-E306 PolarHBondContact OH-OE1 3.24Å; Y4-E306 PolarHBondContact OH-OE2 3.36Å; T13-E306 WeakPolarHBondContact CG2-O 3.48Å; K301-E306 HydrophobicContact CB-CB 4.09Å; K301-E306 HydrophobicContact CD-CB 4.01Å; K301-E306 WeakPolarHBondContact CD-OE2 3.48Å; K301-E306 HydrophobicContact CG-CB 4.2Å; K302-E306 WeakPolarHBondContact CA-OE1 3.38Å; K302-E306 PolarHBondContact N-OE1 3.26Å; H303-E306 HydrophobicContact CB-CG 4.3Å; H303-E306 PolarHBondContact N-OE1 2.58Å; H303-E306 VanDerWaalsContact O-CB 3.31Å; H303-E306 WeakPolarHBondContact O-CB 3.45Å; H303-E306 WeakPolarHBondContact O-CG 3.28Å; H303-E306 PolarHBondContact O-N 2.74Å; I304-E306 PolarHBondContact O-N 2.94Å; E306-I325 HydrophobicContact CG-CG2 3.67Å; E306-F326 WeakPolarHBondContact CA-O 3.34Å; E306-F326 WeakPolarHBondContact CG-O 3.48Å; E306-L328 WeakPolarHBondContact O-CD1 3.32Å
307V98.3Very high97.1Very high4 Ų436.5 Ų36.52%0.02418%0.179CC..THydrogen-bonded Turntrans-128.82.2-176.6-56.40000113.6T13 I17 S292 C295 M296 M299 K301 I304 G305T13-V307 HydrophobicContact CG2-CG1 4.35Å; I17-V307 HydrophobicContact CD1-CB 3.94Å; I17-V307 HydrophobicContact CD1-CG1 4.34Å; I17-V307 HydrophobicContact CG1-CB 4.23Å; I17-V307 HydrophobicContact CG1-CG1 4.44Å; S292-V307 WeakPolarHBondContact O-CG2 3.46Å; C295-V307 HydrophobicContact CB-CB 4.06Å; C295-V307 HydrophobicContact CB-CG1 4.3Å; C295-V307 HydrophobicContact CB-CG2 4.02Å; M296-V307 HydrophobicContact CB-CG2 3.97Å; M299-V307 HydrophobicContact CE-CB 4.19Å; M299-V307 HydrophobicContact CE-CG1 3.39Å; K301-V307 HydrophobicContact CB-CG1 4.39Å; K301-V307 HydrophobicContact CG-CG1 3.77Å; I304-V307 HydrophobicContact CG1-CG2 4.46Å; I304-V307 WeakPolarHBondContact O-CG2 3.38Å; I304-V307 PolarHBondContact O-N 3.25Å; G305-V307 PolarHBondContact O-N 3.27Å
308Q97Very high97Very high7 Ų743.1 Ų43.13%0.03320%0.204CC..SBendtrans-146.7137.3-177.7-167.1-166.553.400110.4S113 Y115 S292 I304 G305S113-Q308 PolarHBondContact OG-OE1 2.63Å; Y115-Q308 HydrophobicContact CD1-CG 3.34Å; Y115-Q308 HydrophobicContact CE1-CG 3.49Å; Y115-Q308 VanDerWaalsContact CE1-CG 3.49Å; Y115-Q308 VanDerWaalsContact CE1-NE2 3.32Å; Y115-Q308 HydrophobicContact CG-CG 4.46Å; Y115-Q308 PolarHBondContact O-NE2 3.3Å; Y115-Q308 PolarHBondContact O-OE1 3.46Å; S292-Q308 WeakPolarHBondContact OG-CB 3.21Å; I304-Q308 PolarHBondContact O-N 2.91Å; I304-Q308 VanDerWaalsContact O-N 3.15Å; G305-Q308 CarbonylContact C-O 3.48Å; G305-Q308 WeakPolarHBondContact CA-O 3.42Å
309V96.4Very high96.9Very high93 Ų9348.2 Ų48.256%0.56423%0.228SC*.  trans-85.9124.7172.1-176.50000109.2Y115 L328Y115-V309 WeakPolarHBondContact CD1-O 3.32Å; V309-L328 HydrophobicContact CG2-CB 3.85Å
310S96.1Very high96.9Very high26 Ų2648.5 Ų48.518%0.18223%0.229CC..  trans-151.7-179.9179.2-165.90000110.4S113S113-S310 VanDerWaalsContact OG-CB 3.25Å; S113-S310 WeakPolarHBondContact OG-CB 3.41Å; S113-S310 PolarHBondContact OG-OG 2.89Å
311I95.2Very high96.8Very high123 Ų12355.5 Ų55.563%0.63126%0.262SS*.  trans-95.5138170.566177.1000109.7Y114Y114-I311 HydrophobicContact CD2-CD1 4Å; Y114-I311 HydrophobicContact CD2-CG1 3.42Å; Y114-I311 VanDerWaalsContact CD2-CG1 3.42Å; Y114-I311 WeakPolarHBondContact CD2-O 3.34Å; Y114-I311 HydrophobicContact CE2-CD1 4.23Å; Y114-I311 HydrophobicContact CE2-CG1 3.82Å; Y114-I311 HydrophobicContact CG-CG1 4.39Å
312W97.1Very high96.8Very high19 Ų1961.2 Ų61.27%0.07229%0.289CS..  trans-129.6134.7-177.5-57.2104.8000110.3V108 H112 H303 I304 V316 R317 L327V108-W312 HydrophobicContact CB-CE3 4.29Å; V108-W312 HydrophobicContact CB-CZ3 4.09Å; V108-W312 HydrophobicContact CG1-CE3 4.46Å; V108-W312 HydrophobicContact CG1-CZ3 4.26Å; H112-W312 WeakPolarHBondContact O-CZ3 3.37Å; H303-W312 AromaticContact CE1-CD2 3.99Å; H303-W312 AromaticContact CE1-CE2 3.97Å; H303-W312 AromaticContact CE1-CE3 3.71Å; H303-W312 AromaticContact CE1-CH2 3.48Å; H303-W312 VanDerWaalsContact CE1-CH2 3.48Å; H303-W312 WeakPolarHBondContact CE1-CH2 3.42Å; H303-W312 AromaticContact CE1-CZ2 3.75Å; H303-W312 AromaticContact CE1-CZ3 3.45Å; H303-W312 VanDerWaalsContact CE1-CZ3 3.45Å; H303-W312 WeakPolarHBondContact CE1-CZ3 3.44Å; I304-W312 HydrophobicContact CG2-CH2 3.57Å; I304-W312 HydrophobicContact CG2-CZ2 4.15Å; W312-V316 HydrophobicContact CB-CB 4.44Å; W312-V316 HydrophobicContact CB-CG1 4.35Å; W312-V316 HydrophobicContact CE3-CG1 4.22Å; W312-R317 HydrophobicContact CB-CG 3.82Å; W312-R317 PolarHBondContact O-NE 3.4Å; W312-L327 HydrophobicContact CB-CD1 4.37Å; W312-L327 HydrophobicContact CG-CD1 4.04Å
313P96.1Very high96.7Very high36 Ų3661.1 Ų61.123%0.23429%0.292CS..  trans-52.9148.8171.5-26.134.6000111.7V108 H315 V316 R317V108-P313 HydrophobicContact CG2-CG 3.72Å; P313-H315 WeakPolarHBondContact CB-CE1 3.49Å; P313-H315 WeakPolarHBondContact CB-ND1 3.41Å; P313-H315 PolarHBondContact O-N 3.43Å; P313-V316 HydrophobicContact CB-CG2 4.26Å; P313-V316 HydrophobicContact CG-CG2 4.28Å; P313-V316 WeakPolarHBondContact O-CB 3.5Å; P313-V316 PolarHBondContact O-N 3.08Å; P313-R317 PolarHBondContact O-N 3.22Å; P313-R317 VanDerWaalsContact O-N 3.1Å
314E97.2Very high96.6Very high84 Ų8465.2 Ų65.239%0.39331%0.314SS..Hα-helixtrans-53.7-39.1-178.6179.163.8-163.500112.9R317 R318E314-R317 PolarHBondContact O-N 3Å; E314-R317 IonicContact OE2-CZ 3.69Å; E314-R317 IonicContact OE2-NE 2.7Å; E314-R317 IonicContact OE2-NH1 2.79Å; E314-R317 PolarHBondContact OE2-NH1 2.83Å; E314-R317 IonicContact OE2-NH2 2.96Å; E314-R317 PolarHBondContact OE2-NH2 3.03Å; E314-R318 WeakPolarHBondContact O-CG 3.49Å; E314-R318 PolarHBondContact O-N 3.42Å; E314-R318 IonicContact OE1-CZ 2.83Å; E314-R318 IonicContact OE1-NE 2.95Å; E314-R318 PolarHBondContact OE1-NE 2.91Å; E314-R318 IonicContact OE1-NH2 3.97Å; E314-R318 PolarHBondContact OE1-NH2 3.34Å
315H96.1Very high96.5Very high126 Ų12666 Ų6658%0.58332%0.318SS*.Hα-helixtrans-65.1-39.8178.768.8-91.5000112.4P313 R318 E319P313-H315 WeakPolarHBondContact CB-CE1 3.49Å; P313-H315 WeakPolarHBondContact CB-ND1 3.41Å; P313-H315 PolarHBondContact O-N 3.43Å; H315-R318 PolarHBondContact O-N 3.5Å; H315-E319 WeakPolarHBondContact O-CB 3.39Å; H315-E319 PolarHBondContact O-N 3.1Å
316V96.3Very high96.4Very high11 Ų1171.6 Ų71.67%0.06734%0.342CS..Hα-helixtrans-64.3-43.2175.7177.70000110.5W312 P313 R318 E319 C320W312-V316 HydrophobicContact CB-CB 4.44Å; W312-V316 HydrophobicContact CB-CG1 4.35Å; W312-V316 HydrophobicContact CE3-CG1 4.22Å; P313-V316 HydrophobicContact CB-CG2 4.26Å; P313-V316 HydrophobicContact CG-CG2 4.28Å; P313-V316 WeakPolarHBondContact O-CB 3.5Å; P313-V316 PolarHBondContact O-N 3.08Å; V316-R318 PolarHBondContact O-N 3.15Å; V316-E319 PolarHBondContact O-N 3.42Å; V316-C320 WeakPolarHBondContact O-CB 3.39Å; V316-C320 PolarHBondContact O-N 3.46Å; V316-C320 PolarHBondContact O-SG 3.18Å
317R97.3Very high96.3Very high125 Ų12572.9 Ų72.947%0.47235%0.349SS..Hα-helixtrans-59.6-45.8177.3-71-172.9-82.7138.27.5111.7W312 P313 E314 C320 E321 L327W312-R317 HydrophobicContact CB-CG 3.82Å; W312-R317 PolarHBondContact O-NE 3.4Å; P313-R317 PolarHBondContact O-N 3.22Å; P313-R317 VanDerWaalsContact O-N 3.1Å; E314-R317 PolarHBondContact O-N 3Å; E314-R317 IonicContact OE2-CZ 3.69Å; E314-R317 IonicContact OE2-NE 2.7Å; E314-R317 IonicContact OE2-NH1 2.79Å; E314-R317 PolarHBondContact OE2-NH1 2.83Å; E314-R317 IonicContact OE2-NH2 2.96Å; E314-R317 PolarHBondContact OE2-NH2 3.03Å; R317-C320 PolarHBondContact O-N 3.05Å; R317-E321 WeakPolarHBondContact O-CB 3.38Å; R317-E321 PolarHBondContact O-N 3.26Å; R317-L327 HydrophobicContact CG-CD1 4.08Å
318R97.1Very high96.2Very high141 Ų14175.5 Ų75.553%0.53236%0.363SS..Hα-helixtrans-65-43.3176.7-69.6-179.8-168.7-173.43.5112.7E314 H315 V316 C320 E321 Q322E314-R318 WeakPolarHBondContact O-CG 3.49Å; E314-R318 PolarHBondContact O-N 3.42Å; E314-R318 IonicContact OE1-CZ 2.83Å; E314-R318 IonicContact OE1-NE 2.95Å; E314-R318 PolarHBondContact OE1-NE 2.91Å; E314-R318 IonicContact OE1-NH2 3.97Å; E314-R318 PolarHBondContact OE1-NH2 3.34Å; H315-R318 PolarHBondContact O-N 3.5Å; V316-R318 PolarHBondContact O-N 3.15Å; R318-C320 VanDerWaalsContact C-N 3.33Å; R318-C320 PolarHBondContact O-N 3.05Å; R318-E321 PolarHBondContact O-N 3.09Å; R318-Q322 WeakPolarHBondContact O-CB 3.42Å; R318-Q322 WeakPolarHBondContact O-CG 3.46Å; R318-Q322 PolarHBondContact O-N 2.89Å
319E95.8Very high96.2Very high110 Ų11078.9 Ų78.951%0.51438%0.379SS..Hα-helixtrans-60.9-44.1177.1-176.7-177.9173.200111H315 V316 Q322 N323H315-E319 WeakPolarHBondContact O-CB 3.39Å; H315-E319 PolarHBondContact O-N 3.1Å; V316-E319 PolarHBondContact O-N 3.42Å; E319-Q322 PolarHBondContact O-N 3.33Å; E319-N323 WeakPolarHBondContact O-CB 3.42Å; E319-N323 PolarHBondContact O-N 3.43Å; E319-N323 VanDerWaalsContact O-N 3.09Å; E319-N323 PolarHBondContact O-ND2 2.93Å
320C96.3Very high96.1Very high5 Ų578.2 Ų78.23%0.03437%0.37CS..Hα-helixtrans-62.3-48.1177.1-70.40000111.4V316 R317 R318 Q322 N323 N324 I325 L327V316-C320 WeakPolarHBondContact O-CB 3.39Å; V316-C320 PolarHBondContact O-N 3.46Å; V316-C320 PolarHBondContact O-SG 3.18Å; R317-C320 PolarHBondContact O-N 3.05Å; R318-C320 VanDerWaalsContact C-N 3.33Å; R318-C320 PolarHBondContact O-N 3.05Å; C320-Q322 PolarHBondContact O-N 2.65Å; C320-N323 CarbonylContact O-C 3.53Å; C320-N323 PolarHBondContact O-N 3.34Å; C320-N323 VanDerWaalsContact O-N 3.15Å; C320-N324 PolarHBondContact O-N 3.05Å; C320-I325 CarbonylContact C-O 3.54Å; C320-I325 HydrophobicContact CB-CB 3.85Å; C320-I325 HydrophobicContact CB-CG2 4.02Å; C320-I325 PolarHBondContact O-N 2.96Å; C320-L327 HydrophobicContact CB-CD1 3.9Å; C320-L327 HydrophobicContact CB-CD2 4.36Å; C320-L327 HydrophobicContact CB-CG 3.99Å
321E95.7Very high96.1Very high156 Ų15681.1 Ų81.173%0.72938%0.38SS*.Hα-helixtrans-58.9-45.7177.3-174.7178.9-156.800112R317 R318 N323 N324R317-E321 WeakPolarHBondContact O-CB 3.38Å; R317-E321 PolarHBondContact O-N 3.26Å; R318-E321 PolarHBondContact O-N 3.09Å; E321-N323 PolarHBondContact O-N 2.93Å; E321-N324 PolarHBondContact O-N 3.4Å; E321-N324 VanDerWaalsContact O-N 3.08Å
322Q95.6Very high96.2Very high127 Ų12778.6 Ų78.659%0.59337%0.365SS*.Hα-helixtrans-60.2-34.4177.9-74.7172.85.700112.8K3 R318 E319 C320K3-Q322 WeakPolarHBondContact CE-O 3.21Å; K3-Q322 PolarHBondContact NZ-O 2.82Å; R318-Q322 WeakPolarHBondContact O-CB 3.42Å; R318-Q322 WeakPolarHBondContact O-CG 3.46Å; R318-Q322 PolarHBondContact O-N 2.89Å; E319-Q322 PolarHBondContact O-N 3.33Å; C320-Q322 PolarHBondContact O-N 2.65Å
323N94.5Very high96.1Very high71 Ų7182.3 Ų82.338%0.3838%0.384SS..THydrogen-bonded Turntrans-927.1179.2-72.1-64.4000114E319 C320 E321 I325E319-N323 WeakPolarHBondContact O-CB 3.42Å; E319-N323 PolarHBondContact O-N 3.43Å; E319-N323 VanDerWaalsContact O-N 3.09Å; E319-N323 PolarHBondContact O-ND2 2.93Å; C320-N323 CarbonylContact O-C 3.53Å; C320-N323 PolarHBondContact O-N 3.34Å; C320-N323 VanDerWaalsContact O-N 3.15Å; E321-N323 PolarHBondContact O-N 2.93Å; N323-I325 VanDerWaalsContact C-N 3.28Å; N323-I325 HydrophobicContact CB-CD1 4.03Å; N323-I325 HydrophobicContact CB-CG1 4.2Å; N323-I325 PolarHBondContact O-N 2.79Å
324N95Very high96.2Very high92 Ų9285.4 Ų85.449%0.49239%0.394SS..THydrogen-bonded Turntrans59.237.6-179.3-169.352.4000113.2Y4 C320 E321Y4-N324 WeakPolarHBondContact CD1-O 3.48Å; Y4-N324 WeakPolarHBondContact O-CB 3.28Å; Y4-N324 PolarHBondContact O-ND2 2.97Å; C320-N324 PolarHBondContact O-N 3.05Å; E321-N324 PolarHBondContact O-N 3.4Å; E321-N324 VanDerWaalsContact O-N 3.08Å
325I96.2Very high96.1Very high23 Ų2385.5 Ų85.512%0.11839%0.394CS..  trans-99.6119.4173.5-63.1171.4000107.6Y4 K302 H303 E306 C320 N323 L327Y4-I325 HydrophobicContact CD1-CG1 3.57Å; Y4-I325 HydrophobicContact CE1-CB 4.5Å; Y4-I325 HydrophobicContact CE1-CG1 3.84Å; K302-I325 HydrophobicContact CB-CD1 3.93Å; K302-I325 HydrophobicContact CB-CG1 4.38Å; K302-I325 HydrophobicContact CD-CD1 4.36Å; H303-I325 HydrophobicContact CB-CG2 3.65Å; E306-I325 HydrophobicContact CG-CG2 3.67Å; C320-I325 CarbonylContact C-O 3.54Å; C320-I325 HydrophobicContact CB-CB 3.85Å; C320-I325 HydrophobicContact CB-CG2 4.02Å; C320-I325 PolarHBondContact O-N 2.96Å; N323-I325 VanDerWaalsContact C-N 3.28Å; N323-I325 HydrophobicContact CB-CD1 4.03Å; N323-I325 HydrophobicContact CB-CG1 4.2Å; N323-I325 PolarHBondContact O-N 2.79Å; I325-L327 HydrophobicContact CG2-CD2 4.36Å
326F96Very high96.1Very high118 Ų11882.4 Ų82.452%0.51838%0.379SS..  trans-90.6113.6179.2-175.8-90000110.6V10 E306 L328V10-F326 HydrophobicContact CG1-CE1 4.05Å; V10-F326 HydrophobicContact CG2-CD1 3.59Å; V10-F326 HydrophobicContact CG2-CD2 4.33Å; V10-F326 HydrophobicContact CG2-CE1 3.68Å; V10-F326 HydrophobicContact CG2-CE2 4.41Å; V10-F326 HydrophobicContact CG2-CG 3.93Å; V10-F326 HydrophobicContact CG2-CZ 4.1Å; E306-F326 WeakPolarHBondContact CA-O 3.34Å; E306-F326 WeakPolarHBondContact CG-O 3.48Å; F326-L328 HydrophobicContact CD1-CD2 4.13Å; F326-L328 HydrophobicContact CE1-CD2 3.88Å
327L97Very high96.1Very high33 Ų3388.3 Ų88.317%0.17341%0.405CS..  trans-85.7129173.1-57.4173.8000109.4H303 G305 W312 R317 C320 I325H303-L327 HydrophobicContact CB-CD2 4.39Å; H303-L327 VanDerWaalsContact ND1-CD2 3.32Å; H303-L327 WeakPolarHBondContact ND1-CD2 3.3Å; G305-L327 WeakPolarHBondContact O-CA 3.48Å; W312-L327 HydrophobicContact CB-CD1 4.37Å; W312-L327 HydrophobicContact CG-CD1 4.04Å; R317-L327 HydrophobicContact CG-CD1 4.08Å; C320-L327 HydrophobicContact CB-CD1 3.9Å; C320-L327 HydrophobicContact CB-CD2 4.36Å; C320-L327 HydrophobicContact CB-CG 3.99Å; I325-L327 HydrophobicContact CG2-CD2 4.36Å
328L96.1Very high95.9Very high59 Ų5985 Ų8531%0.30940%0.399SS..  trans-68.70-179.1-69.2-178.7000114.1V10 I17 G305 E306 V309 F326V10-L328 HydrophobicContact CG1-CD2 4.19Å; I17-L328 HydrophobicContact CD1-CD1 4.3Å; G305-L328 PolarHBondContact O-N 3.44Å; E306-L328 WeakPolarHBondContact O-CD1 3.32Å; V309-L328 HydrophobicContact CG2-CB 3.85Å; F326-L328 HydrophobicContact CD1-CD2 4.13Å; F326-L328 HydrophobicContact CE1-CD2 3.88Å

Retrieved 328 of 328 residues in 81.1 ms (Link to these results)

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