A0A077Z153_TRITR Loading...

Mitochondrial GTPase 1

Plays a role in the regulation of the mitochondrial ribosome assembly and of translational activity. Displays mitochondrial GTPase activity.

AlphaFold DB , UniProt , Accession A0A077Z153, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 326 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
1M33.8Very low60.3Low238 Ų238118.8 Ų118.8100%1.17268%0.68SS**  0120.20-62.6-158.5-147.900107.7K3M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.09Å
2A41Very low62.7Low104 Ų104120.4 Ų120.486%0.8668%0.677SS**  trans-64110.2166.700000106.3G4A2-G4 PolarHBondContact O-N 3.26Å
3K44.7Very low65Low191 Ų191112.5 Ų112.583%0.8363%0.631SS**  trans-52126.3168.6-79-176.9171.5-173.40106.1M1 A5M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.09Å; K3-A5 PolarHBondContact O-N 2.81Å; K3-A5 VanDerWaalsContact O-N 3.15Å
4G44.5Very low66.7Low64 Ų64112.9 Ų112.966%0.6664%0.636SS**  trans-47.2125.2-175.500000109.1A2 V6A2-G4 PolarHBondContact O-N 3.26Å; G4-V6 PolarHBondContact O-N 2.81Å
5A48.1Very low68.1Low93 Ų93108.3 Ų108.377%0.76961%0.61SS**  trans-55.1115.1171.200000106.1K3 M7K3-A5 PolarHBondContact O-N 2.81Å; K3-A5 VanDerWaalsContact O-N 3.15Å; A5-M7 PolarHBondContact O-N 3.02Å
6V52.1Low69.2Low48 Ų48105.3 Ų105.329%0.29160%0.595SS.*  trans-58.2108.9174.3169.80000106.4G4 G8 L9 T266G4-V6 PolarHBondContact O-N 2.81Å; V6-G8 PolarHBondContact O-N 3.34Å; V6-L9 HydrophobicContact CB-CD2 4.4Å; V6-L9 HydrophobicContact CB-CG 4.41Å; V6-L9 HydrophobicContact CG1-CD2 4.12Å; V6-L9 HydrophobicContact CG1-CG 4.48Å; V6-T266 WeakPolarHBondContact CG2-OG1 3.29Å
7M55.3Low69.9Low186 Ų186111.1 Ų111.192%0.91662%0.617SS**THydrogen-bonded Turntrans-61.1124.2174.8-70.6-152.6-5400107.2A5A5-M7 PolarHBondContact O-N 3.02Å
8G78.1Confident70.5Confident69 Ų69110.7 Ų110.771%0.71162%0.623SS**THydrogen-bonded Turntrans112.24.9171.400000117.1V6 R10V6-G8 PolarHBondContact O-N 3.34Å; G8-R10 PolarHBondContact O-N 3.18Å
9L86Confident71Confident60 Ų60106.9 Ų106.931%0.31460%0.599SS.*  trans-61.8126.4170.3-57.2-177000110.6V6 N250 D268V6-L9 HydrophobicContact CB-CD2 4.4Å; V6-L9 HydrophobicContact CB-CG 4.41Å; V6-L9 HydrophobicContact CG1-CD2 4.12Å; V6-L9 HydrophobicContact CG1-CG 4.48Å; L9-N250 HydrophobicContact CD1-CB 4.3Å; L9-N250 HydrophobicContact CD2-CB 4.32Å; L9-D268 HydrophobicContact CD2-CB 3.74Å
10R91Very high71.2Confident56 Ų56112.4 Ų112.421%0.21161%0.61CS.*  trans-67.6136.2-178.175.1-167.5123168.20.3111.2G8 D243 Y247 D268G8-R10 PolarHBondContact O-N 3.18Å; R10-D243 IonicContact CZ-OD1 2.93Å; R10-D243 IonicContact CZ-OD2 3.19Å; R10-D243 IonicContact NH1-OD1 3.66Å; R10-D243 PolarHBondContact NH1-OD1 3.4Å; R10-D243 IonicContact NH1-OD2 3.13Å; R10-D243 PolarHBondContact NH1-OD2 3.08Å; R10-D243 PolarHBondContact NH2-O 3.23Å; R10-D243 IonicContact NH2-OD1 2.65Å; R10-D243 PolarHBondContact NH2-OD1 2.85Å; R10-Y247 HydrophobicContact CG-CD2 3.39Å; R10-Y247 HydrophobicContact CG-CE2 3.84Å; R10-Y247 HydrophobicContact CG-CG 4.46Å; R10-D268 VanDerWaalsContact CB-OD2 3.25Å; R10-D268 WeakPolarHBondContact CB-OD2 3.37Å; R10-D268 WeakPolarHBondContact CG-OD2 3.46Å; R10-D268 IonicContact CZ-OD1 2.61Å; R10-D268 PolarHBondContact N-OD2 3.33Å; R10-D268 IonicContact NE-OD1 2.79Å; R10-D268 PolarHBondContact NE-OD1 3.32Å; R10-D268 IonicContact NE-OD2 2.69Å; R10-D268 PolarHBondContact NE-OD2 3.22Å; R10-D268 IonicContact NH2-OD1 2.63Å; R10-D268 PolarHBondContact NH2-OD1 3.4Å; R10-D268 VanDerWaalsContact NH2-OD1 3.13Å
11R88.3Confident71.1Confident198 Ų198109.8 Ų109.875%0.74760%0.595SS**SBendtrans-82.7-33.4177.6-65.5-176.2178.8-177.5-0.4112.2Y247 R251R11-Y247 PolarHBondContact O-OH 3.19Å; R11-R251 PolarHBondContact O-NH1 2.71Å
12H89.9Confident72.6Confident138 Ų138103.6 Ų103.664%0.63956%0.564SS**SBendtrans-124.5144.9-179.1-60.1-72.9000109.6Y247H12-Y247 WeakPolarHBondContact CA-OH 3.48Å
13F91.6Very high73.8Confident18 Ų18103 Ų1038%0.07955%0.55CS..PPolyproline II helixtrans-81.3122.2170.1-163.2-104.3000109.1L15 L223 L240 D243 Y244 Y247F13-L15 HydrophobicContact CD1-CD2 4.44Å; F13-L15 HydrophobicContact CE1-CD2 4.04Å; F13-L223 HydrophobicContact CD1-CD1 3.67Å; F13-L223 HydrophobicContact CE1-CD1 3.39Å; F13-L223 HydrophobicContact CZ-CD1 4.25Å; F13-L240 HydrophobicContact CE1-CD1 3.94Å; F13-L240 HydrophobicContact CZ-CD1 3.79Å; F13-D243 HydrophobicContact CE2-CB 4.29Å; F13-D243 VanDerWaalsContact CE2-OD2 3.29Å; F13-D243 WeakPolarHBondContact CE2-OD2 3.41Å; F13-D243 HydrophobicContact CZ-CB 4.32Å; F13-D243 WeakPolarHBondContact CZ-OD2 3.32Å; F13-Y244 HydrophobicContact CB-CD2 4.26Å; F13-Y244 HydrophobicContact CB-CE2 4.36Å; F13-Y244 AromaticContact CD1-CD2 3.81Å; F13-Y244 HydrophobicContact CD1-CD2 3.81Å; F13-Y244 HydrophobicContact CD1-CE2 4.47Å; F13-Y244 AromaticContact CD2-CD2 3.86Å; F13-Y244 HydrophobicContact CD2-CD2 3.86Å; F13-Y244 HydrophobicContact CE1-CD2 4.06Å; F13-Y244 VanDerWaalsContact CE2-CA 3.46Å; F13-Y244 HydrophobicContact CE2-CD2 4.1Å; F13-Y244 AromaticContact CG-CD2 3.7Å; F13-Y244 HydrophobicContact CG-CD2 3.7Å; F13-Y244 HydrophobicContact CG-CE2 4.27Å; F13-Y244 HydrophobicContact CZ-CD2 4.2Å; F13-Y247 HydrophobicContact CB-CD1 3.77Å; F13-Y247 HydrophobicContact CB-CD2 4.48Å; F13-Y247 HydrophobicContact CB-CE1 3.61Å; F13-Y247 HydrophobicContact CB-CE2 4.31Å; F13-Y247 HydrophobicContact CB-CG 4.18Å; F13-Y247 AromaticContact CD2-CD1 3.8Å; F13-Y247 HydrophobicContact CD2-CD1 3.8Å; F13-Y247 HydrophobicContact CD2-CD2 4.36Å; F13-Y247 AromaticContact CD2-CG 3.68Å; F13-Y247 HydrophobicContact CD2-CG 3.68Å; F13-Y247 HydrophobicContact CG-CD1 4.12Å; F13-Y247 HydrophobicContact CG-CE1 4.43Å; F13-Y247 HydrophobicContact CG-CG 4.38Å; F13-Y247 PolarHBondContact N-OH 2.94Å
14V89Confident74.9Confident117 Ų11795.7 Ų95.771%0.70952%0.517SS*.PPolyproline II helixtrans-103.9120.6175.3-1760000107.6
15L87.6Confident76.2Confident45 Ų4594.2 Ų94.224%0.23649%0.492CS..PPolyproline II helixtrans-67.7141.8173.7-77.2176000110.9F13 F19 P219 L223 L240F13-L15 HydrophobicContact CD1-CD2 4.44Å; F13-L15 HydrophobicContact CE1-CD2 4.04Å; L15-F19 HydrophobicContact CD1-CD1 3.51Å; L15-F19 HydrophobicContact CD1-CE1 3.73Å; L15-F19 HydrophobicContact CD1-CG 4.41Å; L15-F19 HydrophobicContact CD2-CD1 3.84Å; L15-F19 HydrophobicContact CD2-CE1 3.98Å; L15-F19 HydrophobicContact CD2-CG 4.09Å; L15-F19 HydrophobicContact CD2-CZ 4.4Å; L15-F19 HydrophobicContact CG-CD1 4.19Å; L15-P219 HydrophobicContact CD1-CB 3.12Å; L15-P219 HydrophobicContact CD1-CG 3.76Å; L15-P219 HydrophobicContact CG-CB 4.13Å; L15-L223 HydrophobicContact CD2-CD1 4.1Å; L15-L240 HydrophobicContact CD2-CD1 4.43Å; L15-L240 HydrophobicContact CD2-CD2 4.19Å
16P86.1Confident77.6Confident59 Ų5991 Ų9138%0.38346%0.463SS..PPolyproline II helixtrans-56.5140.9168.4-22.732.7000111.1S18 F19 L240P16-S18 PolarHBondContact O-N 3.07Å; P16-S18 VanDerWaalsContact O-N 3.15Å; P16-F19 WeakPolarHBondContact O-CB 3.5Å; P16-F19 PolarHBondContact O-N 3.17Å; P16-L240 HydrophobicContact CG-CD1 3.93Å
17E81.4Confident78.8Confident205 Ų20592.6 Ų92.696%0.95848%0.481SS*.THydrogen-bonded Turntrans-59.8-27.4176.8-64.3-174.1167.600112.8F19E17-F19 PolarHBondContact O-N 3.23Å
18S80Confident79.9Confident104 Ų10485.9 Ų85.973%0.72745%0.448SS*.THydrogen-bonded Turntrans-73.9-12.4175.958.90000113.6P16 R20P16-S18 PolarHBondContact O-N 3.07Å; P16-S18 VanDerWaalsContact O-N 3.15Å; S18-R20 PolarHBondContact O-N 3.21Å; S18-R20 VanDerWaalsContact O-N 3.1Å
19F81Confident80.2Confident39 Ų3982.6 Ų82.617%0.17141%0.414CS..  trans-64.7113.6-177.6179.8-109.6000110.7L15 P16 E17 L21 L240L15-F19 HydrophobicContact CD1-CD1 3.51Å; L15-F19 HydrophobicContact CD1-CE1 3.73Å; L15-F19 HydrophobicContact CD1-CG 4.41Å; L15-F19 HydrophobicContact CD2-CD1 3.84Å; L15-F19 HydrophobicContact CD2-CE1 3.98Å; L15-F19 HydrophobicContact CD2-CG 4.09Å; L15-F19 HydrophobicContact CD2-CZ 4.4Å; L15-F19 HydrophobicContact CG-CD1 4.19Å; P16-F19 WeakPolarHBondContact O-CB 3.5Å; P16-F19 PolarHBondContact O-N 3.17Å; E17-F19 PolarHBondContact O-N 3.23Å; F19-L21 HydrophobicContact CD1-CG 4.42Å; F19-L21 HydrophobicContact CE1-CD1 3.82Å; F19-L21 HydrophobicContact CE1-CD2 3.94Å; F19-L21 HydrophobicContact CE1-CG 3.47Å; F19-L21 VanDerWaalsContact CE1-CG 3.47Å; F19-L21 HydrophobicContact CE2-CD2 4.4Å; F19-L21 HydrophobicContact CZ-CD1 4.24Å; F19-L21 HydrophobicContact CZ-CD2 3.5Å; F19-L21 VanDerWaalsContact CZ-CD2 3.5Å; F19-L21 HydrophobicContact CZ-CG 3.58Å; F19-L240 HydrophobicContact CD2-CD2 3.26Å; F19-L240 HydrophobicContact CE2-CD2 3.36Å; F19-L240 HydrophobicContact CG-CD2 4.13Å; F19-L240 HydrophobicContact CZ-CD2 4.27Å
20R74.2Confident80.1Confident216 Ų21685.1 Ų85.182%0.81542%0.423SS*.  trans-118.2117.5171.2-62.8-161.7-176.4-141.42.4109.4S18 E22S18-R20 PolarHBondContact O-N 3.21Å; S18-R20 VanDerWaalsContact O-N 3.1Å; R20-E22 PolarHBondContact O-N 2.69Å
21L68.8Low79.8Confident58 Ų5884.7 Ų84.730%0.30443%0.428SS..  trans-69.599.8166.8-76.1162.5000108.9F19 V222F19-L21 HydrophobicContact CD1-CG 4.42Å; F19-L21 HydrophobicContact CE1-CD1 3.82Å; F19-L21 HydrophobicContact CE1-CD2 3.94Å; F19-L21 HydrophobicContact CE1-CG 3.47Å; F19-L21 VanDerWaalsContact CE1-CG 3.47Å; F19-L21 HydrophobicContact CE2-CD2 4.4Å; F19-L21 HydrophobicContact CZ-CD1 4.24Å; F19-L21 HydrophobicContact CZ-CD2 3.5Å; F19-L21 VanDerWaalsContact CZ-CD2 3.5Å; F19-L21 HydrophobicContact CZ-CG 3.58Å; L21-V222 HydrophobicContact CD1-CG2 3.85Å; L21-V222 HydrophobicContact CD2-CB 3.84Å; L21-V222 HydrophobicContact CD2-CG1 3.26Å; L21-V222 HydrophobicContact CD2-CG2 3.67Å; L21-V222 HydrophobicContact CG-CG2 4.44Å
22E66Low79.8Confident108 Ų10875.2 Ų75.251%0.50539%0.392SS..  trans-65.6137.9166.9-68.4-171.7158.600109.9R20 W24 Y212 R235R20-E22 PolarHBondContact O-N 2.69Å; E22-W24 PolarHBondContact O-N 2.86Å; E22-Y212 WeakPolarHBondContact O-CD1 3.49Å; E22-R235 IonicContact OE2-CZ 3.19Å; E22-R235 IonicContact OE2-NH1 3.54Å; E22-R235 PolarHBondContact OE2-NH1 3.15Å
23T66.5Low79.8Confident92 Ų9269.6 Ų69.656%0.56437%0.366SS*.  trans-66106.5178.9-51.30000110.8Y212 V213T23-Y212 HydrophobicContact CG2-CG 4.42Å; T23-V213 HydrophobicContact CG2-CG2 4.11Å
24W67.8Low79.8Confident37 Ų3776.2 Ų76.214%0.1440%0.395CS..  trans-102.685.7173.8-170.677.4000110.9E22 P26 M29 P151 P180 L207 Y212 L231 P232E22-W24 PolarHBondContact O-N 2.86Å; W24-P26 HydrophobicContact CD2-CG 4.06Å; W24-P26 VanDerWaalsContact CE2-CG 3.44Å; W24-P26 HydrophobicContact CH2-CG 4.16Å; W24-P26 HydrophobicContact CZ2-CG 3.5Å; W24-M29 HydrophobicContact CE3-CE 4.17Å; W24-M29 HydrophobicContact CH2-CE 3.34Å; W24-M29 HydrophobicContact CZ2-CE 4.28Å; W24-M29 HydrophobicContact CZ3-CE 3.29Å; W24-P151 HydrophobicContact CH2-CG 4.17Å; W24-P151 HydrophobicContact CZ3-CG 4.18Å; W24-P180 HydrophobicContact CH2-CB 3.57Å; W24-P180 HydrophobicContact CH2-CG 4.42Å; W24-P180 HydrophobicContact CZ2-CB 3.98Å; W24-L207 HydrophobicContact CE3-CD1 3.52Å; W24-L207 HydrophobicContact CZ3-CD1 3.39Å; W24-L207 HydrophobicContact CZ3-CG 4.44Å; W24-Y212 HydrophobicContact CB-CD1 4.37Å; W24-Y212 HydrophobicContact CB-CE1 3.75Å; W24-Y212 HydrophobicContact CB-CE2 4.16Å; W24-Y212 HydrophobicContact CE3-CE2 4.49Å; W24-Y212 VanDerWaalsContact N-CD1 3.3Å; W24-Y212 WeakPolarHBondContact O-CD2 3.16Å; W24-Y212 WeakPolarHBondContact O-CE2 3.28Å; W24-L231 HydrophobicContact CE3-CD2 3.95Å; W24-L231 HydrophobicContact CZ3-CD2 4.11Å; W24-P232 HydrophobicContact CZ2-CG 4.18Å
25F72.3Confident79.9Confident32 Ų3275.5 Ų75.514%0.1438%0.383CS..  trans-129.386.1168.7-157.6-79.6000110.2A27 M29 F30 V206 L207 P209F25-A27 PolarHBondContact O-N 3.25Å; F25-M29 HydrophobicContact CD1-CB 4.12Å; F25-M29 HydrophobicContact CD2-SD 4.42Å; F25-M29 HydrophobicContact CE1-CB 3.53Å; F25-M29 HydrophobicContact CE2-CB 4.38Å; F25-M29 HydrophobicContact CE2-SD 4.32Å; F25-M29 HydrophobicContact CZ-CB 3.7Å; F25-F30 HydrophobicContact CD1-CD1 4.21Å; F25-F30 AromaticContact CD1-CD2 3.31Å; F25-F30 HydrophobicContact CD1-CD2 3.31Å; F25-F30 AromaticContact CD1-CE1 3.95Å; F25-F30 HydrophobicContact CD1-CE1 3.95Å; F25-F30 AromaticContact CD1-CE2 3Å; F25-F30 HydrophobicContact CD1-CE2 3Å; F25-F30 AromaticContact CD1-CG 3.92Å; F25-F30 HydrophobicContact CD1-CG 3.92Å; F25-F30 AromaticContact CD1-CZ 3.34Å; F25-F30 HydrophobicContact CD1-CZ 3.34Å; F25-F30 HydrophobicContact CE1-CB 4.15Å; F25-F30 AromaticContact CE1-CD1 3.43Å; F25-F30 HydrophobicContact CE1-CD1 3.43Å; F25-F30 VanDerWaalsContact CE1-CD1 3.43Å; F25-F30 AromaticContact CE1-CD2 3.24Å; F25-F30 HydrophobicContact CE1-CD2 3.24Å; F25-F30 AromaticContact CE1-CE1 3.44Å; F25-F30 HydrophobicContact CE1-CE1 3.44Å; F25-F30 VanDerWaalsContact CE1-CE1 3.44Å; F25-F30 AromaticContact CE1-CE2 3.28Å; F25-F30 HydrophobicContact CE1-CE2 3.28Å; F25-F30 AromaticContact CE1-CG 3.31Å; F25-F30 HydrophobicContact CE1-CG 3.31Å; F25-F30 AromaticContact CE1-CZ 3.36Å; F25-F30 HydrophobicContact CE1-CZ 3.36Å; F25-F30 AromaticContact CG-CE2 3.97Å; F25-F30 HydrophobicContact CG-CE2 3.97Å; F25-F30 HydrophobicContact CG-CZ 4.06Å; F25-F30 HydrophobicContact CZ-CD1 4.02Å; F25-F30 HydrophobicContact CZ-CD2 4.48Å; F25-F30 AromaticContact CZ-CE1 3.92Å; F25-F30 HydrophobicContact CZ-CE1 3.92Å; F25-F30 HydrophobicContact CZ-CE2 4.42Å; F25-F30 HydrophobicContact CZ-CG 4.29Å; F25-F30 HydrophobicContact CZ-CZ 4.12Å; F25-V206 HydrophobicContact CZ-CG1 4.27Å; F25-L207 VanDerWaalsContact CE2-O 3.3Å; F25-L207 WeakPolarHBondContact CE2-O 3.39Å; F25-P209 HydrophobicContact CD2-CB 4.12Å; F25-P209 HydrophobicContact CD2-CG 4.03Å; F25-P209 HydrophobicContact CE2-CB 4.13Å; F25-P209 HydrophobicContact CE2-CG 3.53Å; F25-P209 HydrophobicContact CZ-CG 3.98Å
26P76.1Confident80.2Confident26 Ų2673.4 Ų73.417%0.16937%0.371CS..  trans-58.2140.8179.3-24.934000112.2W24 H28 M29W24-P26 HydrophobicContact CD2-CG 4.06Å; W24-P26 VanDerWaalsContact CE2-CG 3.44Å; W24-P26 HydrophobicContact CH2-CG 4.16Å; W24-P26 HydrophobicContact CZ2-CG 3.5Å; P26-H28 WeakPolarHBondContact CB-CE1 3.46Å; P26-H28 VanDerWaalsContact CB-ND1 3.27Å; P26-H28 WeakPolarHBondContact CB-ND1 3.49Å; P26-H28 PolarHBondContact O-N 3.18Å; P26-M29 HydrophobicContact CG-CE 4.4Å; P26-M29 WeakPolarHBondContact O-CB 3.41Å; P26-M29 PolarHBondContact O-N 2.82Å
27A78Confident80.5Confident81 Ų8174.1 Ų74.167%0.66937%0.37SS*.Hα-helixtrans-53.8-31.3-179.600000113.8F25 M29 F30 S31F25-A27 PolarHBondContact O-N 3.25Å; A27-M29 PolarHBondContact O-N 3.12Å; A27-F30 PolarHBondContact O-N 3.32Å; A27-S31 PolarHBondContact O-N 3.46Å; A27-S31 VanDerWaalsContact O-N 3.13Å
28H78.7Confident81Confident45 Ų4568.5 Ų68.521%0.20836%0.359CS..Hα-helixtrans-62.5-28177.265.1-100.8000112.8P26 S31 G32P26-H28 WeakPolarHBondContact CB-CE1 3.46Å; P26-H28 VanDerWaalsContact CB-ND1 3.27Å; P26-H28 WeakPolarHBondContact CB-ND1 3.49Å; P26-H28 PolarHBondContact O-N 3.18Å; H28-S31 WeakPolarHBondContact CA-OG 3.45Å; H28-S31 PolarHBondContact O-N 3.06Å; H28-S31 PolarHBondContact O-OG 2.94Å; H28-G32 PolarHBondContact O-N 3.41Å
29M83.8Confident81.6Confident1 Ų167.1 Ų67.11%0.00534%0.339CS..Hα-helixtrans-67.1-44.2175.2-66.4-163.8175.800112.1W24 F25 P26 A27 S31 G32 M33 P151 G205 V206 L207W24-M29 HydrophobicContact CE3-CE 4.17Å; W24-M29 HydrophobicContact CH2-CE 3.34Å; W24-M29 HydrophobicContact CZ2-CE 4.28Å; W24-M29 HydrophobicContact CZ3-CE 3.29Å; F25-M29 HydrophobicContact CD1-CB 4.12Å; F25-M29 HydrophobicContact CD2-SD 4.42Å; F25-M29 HydrophobicContact CE1-CB 3.53Å; F25-M29 HydrophobicContact CE2-CB 4.38Å; F25-M29 HydrophobicContact CE2-SD 4.32Å; F25-M29 HydrophobicContact CZ-CB 3.7Å; P26-M29 HydrophobicContact CG-CE 4.4Å; P26-M29 WeakPolarHBondContact O-CB 3.41Å; P26-M29 PolarHBondContact O-N 2.82Å; A27-M29 PolarHBondContact O-N 3.12Å; M29-S31 VanDerWaalsContact C-N 3.34Å; M29-S31 PolarHBondContact O-N 3.4Å; M29-G32 PolarHBondContact O-N 3.43Å; M29-M33 PolarHBondContact O-N 2.87Å; M29-P151 HydrophobicContact CE-CG 3.46Å; M29-P151 VanDerWaalsContact CE-CG 3.46Å; M29-G205 WeakPolarHBondContact CE-O 3.28Å; M29-G205 WeakPolarHBondContact CG-O 3.46Å; M29-V206 HydrophobicContact CB-CG1 4.28Å; M29-V206 HydrophobicContact CB-CG2 4.42Å; M29-L207 HydrophobicContact CE-CD1 4.32Å; M29-L207 HydrophobicContact CE-CG 4.36Å; M29-L207 HydrophobicContact SD-CB 4.22Å
30F83.7Confident82.2Confident113 Ų11366.7 Ų66.750%0.49634%0.339SS..Hα-helixtrans-60.8-46.5174.8-76.3-62.9000110.5F25 A27 G32 M33 K34F25-F30 HydrophobicContact CD1-CD1 4.21Å; F25-F30 AromaticContact CD1-CD2 3.31Å; F25-F30 HydrophobicContact CD1-CD2 3.31Å; F25-F30 AromaticContact CD1-CE1 3.95Å; F25-F30 HydrophobicContact CD1-CE1 3.95Å; F25-F30 AromaticContact CD1-CE2 3Å; F25-F30 HydrophobicContact CD1-CE2 3Å; F25-F30 AromaticContact CD1-CG 3.92Å; F25-F30 HydrophobicContact CD1-CG 3.92Å; F25-F30 AromaticContact CD1-CZ 3.34Å; F25-F30 HydrophobicContact CD1-CZ 3.34Å; F25-F30 HydrophobicContact CE1-CB 4.15Å; F25-F30 AromaticContact CE1-CD1 3.43Å; F25-F30 HydrophobicContact CE1-CD1 3.43Å; F25-F30 VanDerWaalsContact CE1-CD1 3.43Å; F25-F30 AromaticContact CE1-CD2 3.24Å; F25-F30 HydrophobicContact CE1-CD2 3.24Å; F25-F30 AromaticContact CE1-CE1 3.44Å; F25-F30 HydrophobicContact CE1-CE1 3.44Å; F25-F30 VanDerWaalsContact CE1-CE1 3.44Å; F25-F30 AromaticContact CE1-CE2 3.28Å; F25-F30 HydrophobicContact CE1-CE2 3.28Å; F25-F30 AromaticContact CE1-CG 3.31Å; F25-F30 HydrophobicContact CE1-CG 3.31Å; F25-F30 AromaticContact CE1-CZ 3.36Å; F25-F30 HydrophobicContact CE1-CZ 3.36Å; F25-F30 AromaticContact CG-CE2 3.97Å; F25-F30 HydrophobicContact CG-CE2 3.97Å; F25-F30 HydrophobicContact CG-CZ 4.06Å; F25-F30 HydrophobicContact CZ-CD1 4.02Å; F25-F30 HydrophobicContact CZ-CD2 4.48Å; F25-F30 AromaticContact CZ-CE1 3.92Å; F25-F30 HydrophobicContact CZ-CE1 3.92Å; F25-F30 HydrophobicContact CZ-CE2 4.42Å; F25-F30 HydrophobicContact CZ-CG 4.29Å; F25-F30 HydrophobicContact CZ-CZ 4.12Å; A27-F30 PolarHBondContact O-N 3.32Å; F30-G32 VanDerWaalsContact C-N 3.29Å; F30-G32 PolarHBondContact O-N 3.46Å; F30-M33 PolarHBondContact O-N 3.2Å; F30-K34 PolarHBondContact O-N 2.8Å; F30-K34 VanDerWaalsContact O-N 3.11Å
31S85.5Confident83.1Confident46 Ų4665.5 Ų65.532%0.32233%0.334SS..Hα-helixtrans-63.5-36.7177.882.20000112.1A27 H28 M29 K34 K35A27-S31 PolarHBondContact O-N 3.46Å; A27-S31 VanDerWaalsContact O-N 3.13Å; H28-S31 WeakPolarHBondContact CA-OG 3.45Å; H28-S31 PolarHBondContact O-N 3.06Å; H28-S31 PolarHBondContact O-OG 2.94Å; M29-S31 VanDerWaalsContact C-N 3.34Å; M29-S31 PolarHBondContact O-N 3.4Å; S31-K34 PolarHBondContact O-N 3.21Å; S31-K35 WeakPolarHBondContact O-CB 3.15Å; S31-K35 VanDerWaalsContact O-CG 3.29Å; S31-K35 WeakPolarHBondContact O-CG 3.12Å; S31-K35 PolarHBondContact O-N 2.8Å
32G88Confident84.2Confident0 Ų064.4 Ų64.40%033%0.331CS..Hα-helixtrans-63.1-48.7176.800000111H28 M29 F30 K34 K35 M36H28-G32 PolarHBondContact O-N 3.41Å; M29-G32 PolarHBondContact O-N 3.43Å; F30-G32 VanDerWaalsContact C-N 3.29Å; F30-G32 PolarHBondContact O-N 3.46Å; G32-K34 PolarHBondContact O-N 2.9Å; G32-K35 PolarHBondContact O-N 3.47Å; G32-M36 WeakPolarHBondContact O-CG 3.26Å; G32-M36 PolarHBondContact O-N 3.13Å
33M90.4Very high85.6Confident19 Ų1959.2 Ų59.29%0.09431%0.307CS..Hα-helixtrans-58.2-47.2176.8-176.260.186.100112.5M29 F30 K35 M36 Q37 Q62 F63 L66 L67 V206M29-M33 PolarHBondContact O-N 2.87Å; F30-M33 PolarHBondContact O-N 3.2Å; M33-K35 VanDerWaalsContact C-N 3.34Å; M33-K35 PolarHBondContact O-N 3.49Å; M33-M36 HydrophobicContact CB-CE 4.41Å; M33-M36 PolarHBondContact O-N 2.91Å; M33-M36 HydrophobicContact SD-CE 4.03Å; M33-Q37 PolarHBondContact O-N 2.86Å; M33-Q37 VanDerWaalsContact O-N 3.11Å; M33-Q62 HydrophobicContact CE-CB 3.9Å; M33-F63 HydrophobicContact CE-CD1 3.67Å; M33-F63 HydrophobicContact CE-CE1 3.62Å; M33-F63 HydrophobicContact SD-CD1 4.47Å; M33-L66 HydrophobicContact CE-CD1 4.39Å; M33-L66 HydrophobicContact CG-CD1 4.26Å; M33-L66 HydrophobicContact SD-CD1 4.1Å; M33-L67 HydrophobicContact SD-CD1 4.37Å; M33-L67 HydrophobicContact SD-CD2 4.37Å; M33-L67 HydrophobicContact SD-CG 4.45Å; M33-V206 HydrophobicContact CB-CG1 4.49Å; M33-V206 HydrophobicContact CE-CG1 4.01Å
34K90.1Very high87Confident158 Ų15855.2 Ų55.269%0.68728%0.282SS*.Hα-helixtrans-60.2-42.5176.4-72.7-173.3176.3-175.40112.2F30 S31 G32 Q37 A38F30-K34 PolarHBondContact O-N 2.8Å; F30-K34 VanDerWaalsContact O-N 3.11Å; S31-K34 PolarHBondContact O-N 3.21Å; G32-K34 PolarHBondContact O-N 2.9Å; K34-Q37 PolarHBondContact O-N 3.5Å; K34-A38 PolarHBondContact O-N 3.02Å
35K91.1Very high88.3Confident102 Ų10253.5 Ų53.544%0.44328%0.276SS..Hα-helixtrans-67.4-36.5178.4-74.7176.6-179.8-178.70113S31 G32 M33 K39 V186S31-K35 WeakPolarHBondContact O-CB 3.15Å; S31-K35 VanDerWaalsContact O-CG 3.29Å; S31-K35 WeakPolarHBondContact O-CG 3.12Å; S31-K35 PolarHBondContact O-N 2.8Å; G32-K35 PolarHBondContact O-N 3.47Å; M33-K35 VanDerWaalsContact C-N 3.34Å; M33-K35 PolarHBondContact O-N 3.49Å; K35-K39 PolarHBondContact O-N 3.21Å; K35-V186 HydrophobicContact CB-CB 4.42Å; K35-V186 HydrophobicContact CB-CG2 3.78Å
36M94Very high89.4Confident0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-62.2-49.7174.4-72.6-174.5-6800110.7G32 M33 A38 K39 L40 F63 L67 M146 V148 V186 T203 V206G32-M36 WeakPolarHBondContact O-CG 3.26Å; G32-M36 PolarHBondContact O-N 3.13Å; M33-M36 HydrophobicContact CB-CE 4.41Å; M33-M36 PolarHBondContact O-N 2.91Å; M33-M36 HydrophobicContact SD-CE 4.03Å; M36-A38 PolarHBondContact O-N 3.31Å; M36-K39 PolarHBondContact O-N 3.43Å; M36-L40 PolarHBondContact O-N 2.79Å; M36-F63 HydrophobicContact CE-CE1 4.01Å; M36-L67 HydrophobicContact CB-CD1 4.35Å; M36-L67 HydrophobicContact CB-CD2 4.04Å; M36-L67 HydrophobicContact CE-CD1 4.36Å; M36-L67 HydrophobicContact SD-CD1 4.25Å; M36-M146 HydrophobicContact CB-CE 4.38Å; M36-M146 HydrophobicContact CB-SD 3.82Å; M36-M146 HydrophobicContact CG-CE 4.5Å; M36-M146 HydrophobicContact CG-SD 3.86Å; M36-M146 HydrophobicContact SD-SD 4.43Å; M36-V148 HydrophobicContact SD-CB 4.38Å; M36-V148 HydrophobicContact SD-CG1 3.67Å; M36-V186 HydrophobicContact CG-CG2 4.12Å; M36-T203 HydrophobicContact CG-CG2 3.79Å; M36-T203 HydrophobicContact SD-CG2 3.72Å; M36-V206 HydrophobicContact CE-CG2 3.73Å
37Q93.3Very high90.4Very high75 Ų7550.7 Ų50.735%0.3526%0.261SS..Hα-helixtrans-57-47176.9-72.4174.648.100112.4M33 K34 K39 L40 L66 L67M33-Q37 PolarHBondContact O-N 2.86Å; M33-Q37 VanDerWaalsContact O-N 3.11Å; K34-Q37 PolarHBondContact O-N 3.5Å; Q37-K39 PolarHBondContact O-N 3.46Å; Q37-K39 VanDerWaalsContact O-N 3.17Å; Q37-L40 WeakPolarHBondContact O-CB 3.29Å; Q37-L40 WeakPolarHBondContact O-CG 3.44Å; Q37-L40 PolarHBondContact O-N 2.77Å; Q37-L66 HydrophobicContact CG-CB 4.34Å; Q37-L67 HydrophobicContact CG-CD2 3.71Å
38A92.6Very high91.2Very high87 Ų8747 Ų4772%0.71923%0.229SC*.Hα-helixtrans-61.6-25.217900000113.4K34 M36K34-A38 PolarHBondContact O-N 3.02Å; M36-A38 PolarHBondContact O-N 3.31Å
39K92.5Very high92.1Very high74 Ų7444.8 Ų44.832%0.32222%0.22SC..Hα-helixtrans-91.2-7.4180-82.9-178.2169.9-71.50114.4K35 M36 Q37 R41 S42 M146 V186 F201K35-K39 PolarHBondContact O-N 3.21Å; M36-K39 PolarHBondContact O-N 3.43Å; Q37-K39 PolarHBondContact O-N 3.46Å; Q37-K39 VanDerWaalsContact O-N 3.17Å; K39-R41 PolarHBondContact O-N 3.01Å; K39-R41 VanDerWaalsContact O-N 3.12Å; K39-S42 WeakPolarHBondContact O-CA 3.37Å; K39-S42 PolarHBondContact O-N 2.73Å; K39-S42 PolarHBondContact O-OG 3.36Å; K39-M146 HydrophobicContact CB-CE 3.63Å; K39-V186 HydrophobicContact CD-CG1 3.89Å; K39-F201 HydrophobicContact CD-CD1 4.39Å; K39-F201 HydrophobicContact CD-CE1 4.42Å
40L93.2Very high92.6Very high31 Ų3144.8 Ų44.816%0.16222%0.22CC..G310 helixtrans-56.5-32.8-173.1-73.9172.6000114.3M36 Q37 S42 V43 I46 L66 L67 K71M36-L40 PolarHBondContact O-N 2.79Å; Q37-L40 WeakPolarHBondContact O-CB 3.29Å; Q37-L40 WeakPolarHBondContact O-CG 3.44Å; Q37-L40 PolarHBondContact O-N 2.77Å; L40-S42 PolarHBondContact O-N 3.11Å; L40-V43 PolarHBondContact O-N 3.11Å; L40-I46 HydrophobicContact CD2-CD1 3.87Å; L40-L66 WeakPolarHBondContact CD1-O 3.33Å; L40-L67 HydrophobicContact CD1-CD2 4.06Å; L40-L67 HydrophobicContact CD2-CB 4.32Å; L40-L67 HydrophobicContact CD2-CD2 4.19Å; L40-L67 HydrophobicContact CG-CD2 4.36Å; L40-K71 VanDerWaalsContact O-CE 3.28Å; L40-K71 WeakPolarHBondContact O-CE 3.36Å; L40-K71 PolarHBondContact O-NZ 3.22Å
41R92.4Very high93.3Very high191 Ų19139.4 Ų39.472%0.72120%0.196SC*.G310 helixtrans-62.9-24.8175.5-69.4-173.5-178.2171.50113.3K39K39-R41 PolarHBondContact O-N 3.01Å; K39-R41 VanDerWaalsContact O-N 3.12Å
42S93.2Very high93.8Very high34 Ų3437.3 Ų37.324%0.23818%0.181CC..G310 helixtrans-95.28.1-18069.60000114.1K39 L40 N144K39-S42 WeakPolarHBondContact O-CA 3.37Å; K39-S42 PolarHBondContact O-N 2.73Å; K39-S42 PolarHBondContact O-OG 3.36Å; L40-S42 PolarHBondContact O-N 3.11Å; S42-N144 WeakPolarHBondContact O-CB 3.28Å; S42-N144 PolarHBondContact O-ND2 2.87Å
43V95Very high94.2Very high0 Ų037.4 Ų37.40%018%0.182CC..  trans-116131.7-175.1176.30000109.9L40 C45 I46 K71 M146 F201L40-V43 PolarHBondContact O-N 3.11Å; V43-C45 WeakPolarHBondContact CG1-O 3.09Å; V43-I46 HydrophobicContact CG1-CG1 4.09Å; V43-K71 PolarHBondContact O-NZ 3.33Å; V43-M146 HydrophobicContact CG1-CB 3.8Å; V43-M146 HydrophobicContact CG2-CB 3.87Å; V43-M146 HydrophobicContact CG2-CE 3.68Å; V43-F201 HydrophobicContact CG2-CD2 4.02Å; V43-F201 HydrophobicContact CG2-CE2 3.9Å
44D95.5Very high94.5Very high8 Ų836.5 Ų36.54%0.04318%0.177CC..SBendtrans-86.4-41.7175.2-60.8-69000111.5P72 I129 R134 R137 Y143 N144D44-P72 WeakPolarHBondContact O-CD 3.09Å; D44-I129 HydrophobicContact CB-CG1 4.37Å; D44-I129 HydrophobicContact CB-CG2 4.15Å; D44-R134 IonicContact OD1-CZ 3.68Å; D44-R134 IonicContact OD1-NE 2.82Å; D44-R134 PolarHBondContact OD1-NE 3.46Å; D44-R134 IonicContact OD1-NH2 2.8Å; D44-R134 PolarHBondContact OD1-NH2 3.15Å; D44-R134 IonicContact OD2-NH2 3.35Å; D44-R134 PolarHBondContact OD2-NH2 2.93Å; D44-R137 VanDerWaalsContact CG-NE 3.31Å; D44-R137 WeakPolarHBondContact OD1-CB 3.49Å; D44-R137 VanDerWaalsContact OD1-CD 3.28Å; D44-R137 WeakPolarHBondContact OD1-CD 3.28Å; D44-R137 IonicContact OD1-NE 3.64Å; D44-R137 PolarHBondContact OD1-NE 3.22Å; D44-R137 IonicContact OD2-CZ 3.77Å; D44-R137 IonicContact OD2-NE 3.84Å; D44-R137 PolarHBondContact OD2-NE 2.95Å; D44-R137 IonicContact OD2-NH2 2.81Å; D44-Y143 WeakPolarHBondContact OD2-CA 3.28Å; D44-N144 PolarHBondContact N-O 2.91Å; D44-N144 PolarHBondContact OD2-N 2.79Å
45C95.1Very high94.7Very high0 Ų029 Ų290%014%0.144CC..EExtended strand (participates in β ladder)trans-145.2152.5-178.3174.90000111.9V43 P72 L125 I129 V145 M146V43-C45 WeakPolarHBondContact CG1-O 3.09Å; C45-P72 WeakPolarHBondContact CA-O 3.48Å; C45-P72 HydrophobicContact CB-CB 4.37Å; C45-P72 PolarHBondContact SG-O 2.95Å; C45-P72 VanDerWaalsContact SG-O 3.42Å; C45-L125 HydrophobicContact CB-CD1 4.26Å; C45-I129 HydrophobicContact CB-CD1 3.93Å; C45-I129 HydrophobicContact CB-CG1 3.41Å; C45-I129 VanDerWaalsContact CB-CG1 3.41Å; C45-V145 VanDerWaalsContact O-CA 3.32Å; C45-V145 WeakPolarHBondContact O-CA 3.38Å; C45-M146 PolarHBondContact O-N 2.66Å
46I95.5Very high94.8Very high0 Ų025.9 Ų25.90%013%0.131CC..EExtended strand (participates in β ladder)trans-113.9128.1177.4-57.9167.6000110.1L40 V43 L67 F68 K71 P72 N73 L74 M146 V148L40-I46 HydrophobicContact CD2-CD1 3.87Å; V43-I46 HydrophobicContact CG1-CG1 4.09Å; I46-L67 HydrophobicContact CD1-CB 4.04Å; I46-L67 WeakPolarHBondContact CD1-O 3.31Å; I46-F68 HydrophobicContact CB-CD1 4.39Å; I46-F68 HydrophobicContact CB-CE1 4.44Å; I46-F68 HydrophobicContact CD1-CD1 3.99Å; I46-F68 HydrophobicContact CG2-CD1 4.04Å; I46-F68 HydrophobicContact CG2-CE1 3.64Å; I46-K71 HydrophobicContact CD1-CB 3.92Å; I46-K71 HydrophobicContact CD1-CG 4.25Å; I46-K71 HydrophobicContact CG1-CB 4.49Å; I46-P72 PolarHBondContact N-O 2.96Å; I46-N73 HydrophobicContact CB-CB 4.37Å; I46-N73 CarbonylContact O-C 3.56Å; I46-N73 WeakPolarHBondContact O-CA 3.41Å; I46-L74 PolarHBondContact O-N 2.84Å; I46-M146 CarbonylContact C-O 3.38Å; I46-M146 WeakPolarHBondContact CA-O 3.18Å; I46-M146 HydrophobicContact CG1-CB 4.46Å; I46-V148 HydrophobicContact CG2-CG1 4.01Å; I46-V148 HydrophobicContact CG2-CG2 3.7Å
47V96.6Very high94.7Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-104.7111.4171.6-179.10000108.5V49 F76 L121 L125 V145 M146 I147 V148V47-V49 HydrophobicContact CG1-CG2 4.08Å; V47-F76 HydrophobicContact CG1-CB 4.04Å; V47-L121 HydrophobicContact CG1-CD1 4.45Å; V47-L125 HydrophobicContact CG2-CD1 3.94Å; V47-V145 HydrophobicContact CG2-CG1 3.72Å; V47-M146 PolarHBondContact N-O 2.95Å; V47-I147 WeakPolarHBondContact O-CA 3.32Å; V47-V148 PolarHBondContact O-N 3.33Å
48E95.8Very high94.5Very high2 Ų223.5 Ų23.51%0.00912%0.122CC..EExtended strand (participates in β ladder)trans-85.2117.9172.9-163.6-173.3175.200109.5H50 R59 F63 F68 L74 L75 F76 V148E48-H50 WeakPolarHBondContact CG-NE2 3.41Å; E48-H50 IonicContact OE1-CD2 3.19Å; E48-H50 IonicContact OE1-CE1 2.62Å; E48-H50 PolarHBondContact OE1-CE1 3.45Å; E48-H50 IonicContact OE1-NE2 3.98Å; E48-H50 PolarHBondContact OE1-NE2 2.92Å; E48-H50 IonicContact OE2-NE2 3.11Å; E48-R59 IonicContact OE1-CZ 3.61Å; E48-R59 IonicContact OE1-NE 2.94Å; E48-R59 IonicContact OE1-NH2 3.44Å; E48-R59 IonicContact OE2-CZ 3.84Å; E48-R59 IonicContact OE2-NE 3.46Å; E48-R59 IonicContact OE2-NH2 2.81Å; E48-R59 PolarHBondContact OE2-NH2 3.14Å; E48-F63 HydrophobicContact CG-CD2 4.37Å; E48-F68 HydrophobicContact CB-CZ 3.84Å; E48-F68 VanDerWaalsContact CD-CZ 3.49Å; E48-F68 HydrophobicContact CG-CE2 4.49Å; E48-F68 HydrophobicContact CG-CZ 3.79Å; E48-F68 WeakPolarHBondContact OE2-CE2 3.33Å; E48-F68 VanDerWaalsContact OE2-CZ 3.27Å; E48-F68 WeakPolarHBondContact OE2-CZ 3.34Å; E48-L74 PolarHBondContact N-O 2.82Å; E48-L75 HydrophobicContact CB-CD1 4.22Å; E48-L75 HydrophobicContact CG-CD1 4.37Å; E48-F76 PolarHBondContact O-N 3.4Å; E48-V148 HydrophobicContact CB-CG2 4.12Å; E48-V148 HydrophobicContact CG-CG2 4.02Å
49V96.7Very high94.3Very high0 Ų021.3 Ų21.30%010%0.095CC..EExtended strand (participates in β ladder)trans-105130.2-177.2-177.50000110.1V47 F76 N78 I147 V148 G149 V153 K155 L158V47-V49 HydrophobicContact CG1-CG2 4.08Å; V49-F76 WeakPolarHBondContact CA-O 3.25Å; V49-F76 HydrophobicContact CG1-CD1 4.23Å; V49-N78 HydrophobicContact CG1-CB 3.98Å; V49-I147 HydrophobicContact CB-CG2 4.4Å; V49-I147 HydrophobicContact CG2-CG2 3.47Å; V49-I147 VanDerWaalsContact CG2-CG2 3.47Å; V49-V148 PolarHBondContact N-O 3.14Å; V49-G149 WeakPolarHBondContact O-CA 2.84Å; V49-V153 HydrophobicContact CB-CG2 4Å; V49-V153 HydrophobicContact CG1-CB 4.1Å; V49-V153 HydrophobicContact CG1-CG2 3.79Å; V49-V153 VanDerWaalsContact O-CG2 3.28Å; V49-V153 WeakPolarHBondContact O-CG2 3.45Å; V49-K155 HydrophobicContact CB-CG 4.11Å; V49-K155 HydrophobicContact CG2-CG 4.39Å; V49-L158 HydrophobicContact CG2-CD1 3.82Å
50H95.4Very high94.1Very high1 Ų118 Ų181%0.0058%0.081CC..EExtended strand (participates in β ladder)trans-128.7164.2176.3-67.7-105.1000111.6E48 G58 R59 L75 F76 L77 N78E48-H50 WeakPolarHBondContact CG-NE2 3.41Å; E48-H50 IonicContact OE1-CD2 3.19Å; E48-H50 IonicContact OE1-CE1 2.62Å; E48-H50 PolarHBondContact OE1-CE1 3.45Å; E48-H50 IonicContact OE1-NE2 3.98Å; E48-H50 PolarHBondContact OE1-NE2 2.92Å; E48-H50 IonicContact OE2-NE2 3.11Å; H50-G58 PolarHBondContact ND1-O 2.81Å; H50-R59 VanDerWaalsContact CE1-CG 3.43Å; H50-R59 WeakPolarHBondContact CE1-CG 3.36Å; H50-L75 WeakPolarHBondContact CD2-CD1 3.41Å; H50-F76 PolarHBondContact N-O 2.87Å; H50-L77 HydrophobicContact CB-CD2 3.69Å; H50-N78 WeakPolarHBondContact O-CA 3.25Å; H50-N78 WeakPolarHBondContact O-CB 3.49Å; H50-N78 PolarHBondContact O-N 3.33Å
51D96.8Very high93.7Very high0 Ų026 Ų260%011%0.109CC..EExtended strand (participates in β ladder)trans-83.8123167.2-163.7-49.3000108.5R53 I54 K79 V153D51-R53 PolarHBondContact O-N 3.47Å; D51-R53 WeakPolarHBondContact OD1-CB 3.2Å; D51-R53 WeakPolarHBondContact OD1-CG 3.38Å; D51-R53 IonicContact OD1-CZ 3.64Å; D51-R53 PolarHBondContact OD1-N 2.94Å; D51-R53 IonicContact OD1-NE 2.71Å; D51-R53 PolarHBondContact OD1-NE 3.16Å; D51-R53 IonicContact OD1-NH2 2.55Å; D51-R53 IonicContact OD2-CZ 2.66Å; D51-R53 IonicContact OD2-NE 3.48Å; D51-R53 PolarHBondContact OD2-NE 3.31Å; D51-R53 IonicContact OD2-NH2 3.51Å; D51-R53 PolarHBondContact OD2-NH2 3.4Å; D51-I54 HydrophobicContact CB-CD1 4.36Å; D51-I54 HydrophobicContact CB-CG1 3.86Å; D51-I54 CarbonylContact O-C 3.41Å; D51-I54 PolarHBondContact O-N 3.13Å; D51-K79 VanDerWaalsContact OD2-CD 3.28Å; D51-K79 WeakPolarHBondContact OD2-CD 3.25Å; D51-K79 WeakPolarHBondContact OD2-CE 3.48Å; D51-K79 IonicContact OD2-NZ 3.94Å; D51-K79 PolarHBondContact OD2-NZ 3.38Å; D51-V153 HydrophobicContact CB-CG1 4.49Å
52A96.7Very high93.4Very high2 Ų218.6 Ų18.62%0.0178%0.082CC..THydrogen-bonded Turntrans-61.6-16.4-176.500000113.2I54 L77 N78 A80 A83A52-I54 VanDerWaalsContact C-N 3.3Å; A52-L77 HydrophobicContact CB-CB 4.06Å; A52-N78 WeakPolarHBondContact CB-O 3.21Å; A52-N78 PolarHBondContact N-O 2.97Å; A52-A80 HydrophobicContact CB-CB 4.12Å; A52-A83 VanDerWaalsContact C-CB 3.45Å; A52-A83 HydrophobicContact CB-CB 3.78Å; A52-A83 VanDerWaalsContact O-CB 3.31Å; A52-A83 WeakPolarHBondContact O-CB 3.47Å
53R97.3Very high93.3Very high1 Ų117 Ų170%0.0047%0.071CC..THydrogen-bonded Turntrans-71.5-24.6173.8-64.5176.8-70.6175.46.3112.9D51 L82 A83 Q318 L320D51-R53 PolarHBondContact O-N 3.47Å; D51-R53 WeakPolarHBondContact OD1-CB 3.2Å; D51-R53 WeakPolarHBondContact OD1-CG 3.38Å; D51-R53 IonicContact OD1-CZ 3.64Å; D51-R53 PolarHBondContact OD1-N 2.94Å; D51-R53 IonicContact OD1-NE 2.71Å; D51-R53 PolarHBondContact OD1-NE 3.16Å; D51-R53 IonicContact OD1-NH2 2.55Å; D51-R53 IonicContact OD2-CZ 2.66Å; D51-R53 IonicContact OD2-NE 3.48Å; D51-R53 PolarHBondContact OD2-NE 3.31Å; D51-R53 IonicContact OD2-NH2 3.51Å; D51-R53 PolarHBondContact OD2-NH2 3.4Å; R53-L82 HydrophobicContact CG-CB 4.11Å; R53-A83 HydrophobicContact CG-CB 3.92Å; R53-Q318 VanDerWaalsContact CB-O 3.27Å; R53-Q318 WeakPolarHBondContact CB-O 3.44Å; R53-Q318 VanDerWaalsContact CD-CB 3.49Å; R53-Q318 HydrophobicContact CG-CB 3.82Å; R53-Q318 VanDerWaalsContact CG-O 3.32Å; R53-Q318 WeakPolarHBondContact CG-O 3.39Å; R53-L320 PolarHBondContact O-N 2.88Å
54I96.1Very high92.9Very high0 Ų021.4 Ų21.40%09%0.094CC..  trans-137.258.4-174.548.9165.6000111.6D51 A52 F56 G58 K224 L225 C228 L320 D321D51-I54 HydrophobicContact CB-CD1 4.36Å; D51-I54 HydrophobicContact CB-CG1 3.86Å; D51-I54 CarbonylContact O-C 3.41Å; D51-I54 PolarHBondContact O-N 3.13Å; A52-I54 VanDerWaalsContact C-N 3.3Å; I54-F56 PolarHBondContact O-N 3.45Å; I54-F56 VanDerWaalsContact O-N 3.12Å; I54-G58 WeakPolarHBondContact O-CA 3.23Å; I54-G58 PolarHBondContact O-N 3.33Å; I54-K224 HydrophobicContact CG2-CB 4.03Å; I54-L225 HydrophobicContact CD1-CD2 3.88Å; I54-C228 HydrophobicContact CD1-CB 3.82Å; I54-C228 HydrophobicContact CG1-CB 4.39Å; I54-L320 HydrophobicContact CG2-CB 3.85Å; I54-L320 HydrophobicContact CG2-CD1 3.92Å; I54-L320 HydrophobicContact CG2-CG 4.43Å; I54-D321 WeakPolarHBondContact CA-OD2 3.27Å
55P94.5Very high92.5Very high0 Ų029.3 Ų29.30%012%0.124CC..THydrogen-bonded Turntrans-64.3-18.1-174.329.7-37.4000114R59 L77 V91 F319P55-R59 WeakPolarHBondContact O-CD 3.42Å; P55-R59 VanDerWaalsContact O-CG 3.31Å; P55-R59 WeakPolarHBondContact O-CG 3.2Å; P55-L77 HydrophobicContact CB-CD1 4.02Å; P55-L77 HydrophobicContact CB-CD2 3.9Å; P55-V91 HydrophobicContact CB-CG1 3.83Å; P55-V91 HydrophobicContact CG-CG1 3.82Å; P55-V91 HydrophobicContact CG-CG2 3.98Å; P55-F319 HydrophobicContact CG-CE2 3.61Å; P55-F319 HydrophobicContact CG-CZ 4.06Å
56F92.6Very high92.3Very high37 Ų3731.5 Ų31.516%0.16214%0.135CC..THydrogen-bonded Turntrans-107.1-48.6178.8-51.4-77.4000111.5I54 G58 R59 V91 R94 L95 F319 D321 A324 L325I54-F56 PolarHBondContact O-N 3.45Å; I54-F56 VanDerWaalsContact O-N 3.12Å; F56-G58 VanDerWaalsContact C-N 3.25Å; F56-G58 PolarHBondContact O-N 3.06Å; F56-R59 WeakPolarHBondContact O-CG 3.4Å; F56-R59 PolarHBondContact O-N 2.81Å; F56-V91 HydrophobicContact CE2-CG2 4.19Å; F56-V91 HydrophobicContact CZ-CB 4.48Å; F56-V91 HydrophobicContact CZ-CG1 4.29Å; F56-V91 HydrophobicContact CZ-CG2 4.38Å; F56-R94 HydrophobicContact CE1-CB 4.02Å; F56-R94 HydrophobicContact CE1-CG 3.64Å; F56-R94 HydrophobicContact CZ-CB 3.84Å; F56-R94 HydrophobicContact CZ-CG 3.73Å; F56-L95 HydrophobicContact CD1-CD2 3.78Å; F56-L95 HydrophobicContact CE1-CD2 3.51Å; F56-L95 HydrophobicContact CE1-CG 3.84Å; F56-L95 HydrophobicContact CZ-CD2 4.45Å; F56-L95 HydrophobicContact CZ-CG 4.44Å; F56-F319 HydrophobicContact CE2-CZ 4.49Å; F56-D321 HydrophobicContact CD2-CB 3.79Å; F56-D321 PolarHBondContact N-OD2 3.34Å; F56-A324 HydrophobicContact CB-CB 4.05Å; F56-A324 HydrophobicContact CD2-CB 3.43Å; F56-A324 VanDerWaalsContact CD2-CB 3.43Å; F56-A324 HydrophobicContact CE2-CB 4.02Å; F56-A324 HydrophobicContact CG-CB 3.85Å; F56-L325 HydrophobicContact CE2-CD2 3.6Å; F56-L325 HydrophobicContact CE2-CG 4.38Å; F56-L325 HydrophobicContact CZ-CD2 3.81Å
57T91.5Very high92.2Very high24 Ų2431.6 Ų31.615%0.14714%0.136CC..THydrogen-bonded Turntrans-63.7-32.7179.4-68.20000111.8R59 S221 K224 L225 D321T57-R59 PolarHBondContact O-N 2.96Å; T57-R59 VanDerWaalsContact O-N 3.14Å; T57-S221 WeakPolarHBondContact CG2-O 3.36Å; T57-K224 HydrophobicContact CG2-CB 4.15Å; T57-K224 HydrophobicContact CG2-CD 4.37Å; T57-L225 HydrophobicContact CG2-CD2 4.33Å; T57-L225 HydrophobicContact CG2-CG 3.97Å; T57-D321 VanDerWaalsContact CB-OD1 3.27Å; T57-D321 WeakPolarHBondContact CB-OD1 3.33Å; T57-D321 PolarHBondContact N-OD2 2.8Å; T57-D321 PolarHBondContact OG1-OD1 3.2Å
58G89.5Confident91.8Very high1 Ų132 Ų321%0.0114%0.138CC..THydrogen-bonded Turntrans-70.7-1.5-179.500000115.2H50 I54 F56 I150H50-G58 PolarHBondContact ND1-O 2.81Å; I54-G58 WeakPolarHBondContact O-CA 3.23Å; I54-G58 PolarHBondContact O-N 3.33Å; F56-G58 VanDerWaalsContact C-N 3.25Å; F56-G58 PolarHBondContact O-N 3.06Å; G58-I150 WeakPolarHBondContact O-CD1 3.43Å; G58-I150 WeakPolarHBondContact O-CG2 3.36Å
59R88.4Confident91.4Very high42 Ų4240.9 Ų40.916%0.15818%0.176CC..  trans-86.1141.8-170.3-51.8-152.362.2166.9-4.9116.2E48 H50 P55 F56 T57 E100E48-R59 IonicContact OE1-CZ 3.61Å; E48-R59 IonicContact OE1-NE 2.94Å; E48-R59 IonicContact OE1-NH2 3.44Å; E48-R59 IonicContact OE2-CZ 3.84Å; E48-R59 IonicContact OE2-NE 3.46Å; E48-R59 IonicContact OE2-NH2 2.81Å; E48-R59 PolarHBondContact OE2-NH2 3.14Å; H50-R59 VanDerWaalsContact CE1-CG 3.43Å; H50-R59 WeakPolarHBondContact CE1-CG 3.36Å; P55-R59 WeakPolarHBondContact O-CD 3.42Å; P55-R59 VanDerWaalsContact O-CG 3.31Å; P55-R59 WeakPolarHBondContact O-CG 3.2Å; F56-R59 WeakPolarHBondContact O-CG 3.4Å; F56-R59 PolarHBondContact O-N 2.81Å; T57-R59 PolarHBondContact O-N 2.96Å; T57-R59 VanDerWaalsContact O-N 3.14Å; R59-E100 IonicContact CZ-OE1 2.89Å; R59-E100 IonicContact CZ-OE2 3.44Å; R59-E100 IonicContact NH1-OE1 3.79Å; R59-E100 PolarHBondContact NH1-OE1 2.83Å; R59-E100 IonicContact NH1-OE2 2.7Å; R59-E100 PolarHBondContact NH1-OE2 2.81Å
60N88.5Confident90.9Very high3 Ų344.2 Ų44.22%0.01621%0.211CC..  trans-107.7102.5170.7-172-16.9000110.7Q62 F63 I150 V206 L207 T208N60-Q62 PolarHBondContact O-N 3.24Å; N60-Q62 VanDerWaalsContact O-N 3.07Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.5Å; N60-Q62 WeakPolarHBondContact OD1-CG 3.43Å; N60-Q62 PolarHBondContact OD1-N 3.43Å; N60-F63 HydrophobicContact CB-CD2 3.67Å; N60-F63 HydrophobicContact CB-CE2 3.57Å; N60-F63 HydrophobicContact CB-CG 4.21Å; N60-F63 HydrophobicContact CB-CZ 4.06Å; N60-F63 WeakPolarHBondContact O-CB 3.15Å; N60-F63 PolarHBondContact O-N 3.22Å; N60-I150 HydrophobicContact CB-CG2 4.31Å; N60-V206 PolarHBondContact ND2-O 3.34Å; N60-L207 PolarHBondContact ND2-O 3.13Å; N60-T208 WeakPolarHBondContact CA-OG1 3.31Å; N60-T208 PolarHBondContact OD1-OG1 3.02Å
61R84.2Confident90.6Very high201 Ų20145.8 Ų45.876%0.75822%0.217SC*.Hα-helixtrans-57.6-23.5179.4-73.4-176.6153.9-172.9-6.8113.6F63 N64 R65R61-F63 VanDerWaalsContact C-N 3.25Å; R61-F63 PolarHBondContact O-N 3.42Å; R61-N64 PolarHBondContact O-N 3.21Å; R61-R65 PolarHBondContact O-N 2.97Å
62Q87Confident90.3Very high35 Ų3547.2 Ų47.216%0.16423%0.227CC..Hα-helixtrans-67.4-25.6176.5-59.7-66.5-33.900112.3M33 N60 R65 L66 E210M33-Q62 HydrophobicContact CE-CB 3.9Å; N60-Q62 PolarHBondContact O-N 3.24Å; N60-Q62 VanDerWaalsContact O-N 3.07Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.5Å; N60-Q62 WeakPolarHBondContact OD1-CG 3.43Å; N60-Q62 PolarHBondContact OD1-N 3.43Å; Q62-R65 PolarHBondContact O-N 3.27Å; Q62-L66 HydrophobicContact CB-CD1 4.04Å; Q62-L66 WeakPolarHBondContact O-CB 3.4Å; Q62-L66 VanDerWaalsContact O-CG 3.25Å; Q62-L66 WeakPolarHBondContact O-CG 3.32Å; Q62-L66 PolarHBondContact O-N 2.8Å; Q62-E210 PolarHBondContact NE2-OE1 3.2Å
63F91Very high90.2Very high1 Ų148.9 Ų48.90%0.00424%0.235CC..Hα-helixtrans-65.7-44.2177.3-63.7-33.5000112.1M33 M36 E48 N60 R61 R65 L66 L67 F68 V148 V206M33-F63 HydrophobicContact CE-CD1 3.67Å; M33-F63 HydrophobicContact CE-CE1 3.62Å; M33-F63 HydrophobicContact SD-CD1 4.47Å; M36-F63 HydrophobicContact CE-CE1 4.01Å; E48-F63 HydrophobicContact CG-CD2 4.37Å; N60-F63 HydrophobicContact CB-CD2 3.67Å; N60-F63 HydrophobicContact CB-CE2 3.57Å; N60-F63 HydrophobicContact CB-CG 4.21Å; N60-F63 HydrophobicContact CB-CZ 4.06Å; N60-F63 WeakPolarHBondContact O-CB 3.15Å; N60-F63 PolarHBondContact O-N 3.22Å; R61-F63 VanDerWaalsContact C-N 3.25Å; R61-F63 PolarHBondContact O-N 3.42Å; F63-R65 VanDerWaalsContact C-N 3.35Å; F63-R65 PolarHBondContact O-N 2.83Å; F63-L66 PolarHBondContact O-N 2.88Å; F63-L67 HydrophobicContact CB-CD1 4.42Å; F63-L67 HydrophobicContact CD1-CD1 3.53Å; F63-L67 HydrophobicContact CD1-CG 4.4Å; F63-L67 HydrophobicContact CE1-CD1 4.18Å; F63-L67 HydrophobicContact CG-CD1 4.29Å; F63-L67 WeakPolarHBondContact O-CA 3.4Å; F63-L67 WeakPolarHBondContact O-CB 3.45Å; F63-L67 PolarHBondContact O-N 2.87Å; F63-F68 HydrophobicContact CB-CE1 3.84Å; F63-F68 HydrophobicContact CB-CE2 3.85Å; F63-F68 HydrophobicContact CB-CZ 3.41Å; F63-F68 VanDerWaalsContact CB-CZ 3.41Å; F63-F68 HydrophobicContact CG-CZ 4.31Å; F63-F68 PolarHBondContact O-N 2.58Å; F63-F68 VanDerWaalsContact O-N 3.14Å; F63-V148 HydrophobicContact CD2-CG2 4.15Å; F63-V148 HydrophobicContact CE1-CB 4.39Å; F63-V148 HydrophobicContact CE2-CB 4.41Å; F63-V148 HydrophobicContact CE2-CG2 4.39Å; F63-V148 HydrophobicContact CG-CG2 4.29Å; F63-V148 HydrophobicContact CZ-CB 4.32Å; F63-V206 HydrophobicContact CE1-CB 4.15Å; F63-V206 HydrophobicContact CZ-CB 4.07Å
64N86.8Confident90Very high91 Ų9149 Ų4949%0.48724%0.236SC..Iπ-helixtrans-59.6-48.7176.5-167.2-12.9000110.7R61 L66 F68R61-N64 PolarHBondContact O-N 3.21Å; N64-L66 PolarHBondContact O-N 3.49Å; N64-F68 VanDerWaalsContact CA-CD2 3.43Å; N64-F68 HydrophobicContact CB-CD2 3.96Å; N64-F68 HydrophobicContact CB-CE2 4.41Å
65R86.9Confident90Very high174 Ų17449.3 Ų49.366%0.65724%0.238SC*.Iπ-helixtrans-63.7-39.2-179.8-166.3179.585.8165.55.6114R61 Q62 F63R61-R65 PolarHBondContact O-N 2.97Å; Q62-R65 PolarHBondContact O-N 3.27Å; F63-R65 VanDerWaalsContact C-N 3.35Å; F63-R65 PolarHBondContact O-N 2.83Å
66L91.2Very high90.1Very high47 Ų4749.3 Ų49.325%0.24624%0.238CC..Iπ-helixtrans-107.8-23.1-165.2-58.8174.8000114.3M33 Q37 L40 Q62 F63 N64M33-L66 HydrophobicContact CE-CD1 4.39Å; M33-L66 HydrophobicContact CG-CD1 4.26Å; M33-L66 HydrophobicContact SD-CD1 4.1Å; Q37-L66 HydrophobicContact CG-CB 4.34Å; L40-L66 WeakPolarHBondContact CD1-O 3.33Å; Q62-L66 HydrophobicContact CB-CD1 4.04Å; Q62-L66 WeakPolarHBondContact O-CB 3.4Å; Q62-L66 VanDerWaalsContact O-CG 3.25Å; Q62-L66 WeakPolarHBondContact O-CG 3.32Å; Q62-L66 PolarHBondContact O-N 2.8Å; F63-L66 PolarHBondContact O-N 2.88Å; N64-L66 PolarHBondContact O-N 3.49Å
67L92Very high90.3Very high1 Ų147.6 Ų47.61%0.00523%0.23CC..Iπ-helixtrans-121.3-40.5-170.2-52.9-177.1000113.1M33 M36 Q37 L40 I46 F63 V148M33-L67 HydrophobicContact SD-CD1 4.37Å; M33-L67 HydrophobicContact SD-CD2 4.37Å; M33-L67 HydrophobicContact SD-CG 4.45Å; M36-L67 HydrophobicContact CB-CD1 4.35Å; M36-L67 HydrophobicContact CB-CD2 4.04Å; M36-L67 HydrophobicContact CE-CD1 4.36Å; M36-L67 HydrophobicContact SD-CD1 4.25Å; Q37-L67 HydrophobicContact CG-CD2 3.71Å; L40-L67 HydrophobicContact CD1-CD2 4.06Å; L40-L67 HydrophobicContact CD2-CB 4.32Å; L40-L67 HydrophobicContact CD2-CD2 4.19Å; L40-L67 HydrophobicContact CG-CD2 4.36Å; I46-L67 HydrophobicContact CD1-CB 4.04Å; I46-L67 WeakPolarHBondContact CD1-O 3.31Å; F63-L67 HydrophobicContact CB-CD1 4.42Å; F63-L67 HydrophobicContact CD1-CD1 3.53Å; F63-L67 HydrophobicContact CD1-CG 4.4Å; F63-L67 HydrophobicContact CE1-CD1 4.18Å; F63-L67 HydrophobicContact CG-CD1 4.29Å; F63-L67 WeakPolarHBondContact O-CA 3.4Å; F63-L67 WeakPolarHBondContact O-CB 3.45Å; F63-L67 PolarHBondContact O-N 2.87Å; L67-V148 HydrophobicContact CD1-CB 4.47Å; L67-V148 HydrophobicContact CD1-CG1 3.87Å
68F90Very high90.6Very high10 Ų1046.8 Ų46.84%0.04423%0.225CC..Iπ-helixtrans-82.9-24.1-168.3-57.1-16.7000114.2I46 E48 F63 N64 G70 K71 N73 V148I46-F68 HydrophobicContact CB-CD1 4.39Å; I46-F68 HydrophobicContact CB-CE1 4.44Å; I46-F68 HydrophobicContact CD1-CD1 3.99Å; I46-F68 HydrophobicContact CG2-CD1 4.04Å; I46-F68 HydrophobicContact CG2-CE1 3.64Å; E48-F68 HydrophobicContact CB-CZ 3.84Å; E48-F68 VanDerWaalsContact CD-CZ 3.49Å; E48-F68 HydrophobicContact CG-CE2 4.49Å; E48-F68 HydrophobicContact CG-CZ 3.79Å; E48-F68 WeakPolarHBondContact OE2-CE2 3.33Å; E48-F68 VanDerWaalsContact OE2-CZ 3.27Å; E48-F68 WeakPolarHBondContact OE2-CZ 3.34Å; F63-F68 HydrophobicContact CB-CE1 3.84Å; F63-F68 HydrophobicContact CB-CE2 3.85Å; F63-F68 HydrophobicContact CB-CZ 3.41Å; F63-F68 VanDerWaalsContact CB-CZ 3.41Å; F63-F68 HydrophobicContact CG-CZ 4.31Å; F63-F68 PolarHBondContact O-N 2.58Å; F63-F68 VanDerWaalsContact O-N 3.14Å; N64-F68 VanDerWaalsContact CA-CD2 3.43Å; N64-F68 HydrophobicContact CB-CD2 3.96Å; N64-F68 HydrophobicContact CB-CE2 4.41Å; F68-G70 PolarHBondContact O-N 2.95Å; F68-G70 VanDerWaalsContact O-N 3.13Å; F68-K71 PolarHBondContact O-N 2.96Å; F68-K71 VanDerWaalsContact O-O 3.11Å; F68-N73 HydrophobicContact CD1-CB 4.37Å; F68-N73 HydrophobicContact CG-CB 4.42Å; F68-V148 HydrophobicContact CE1-CG2 3.85Å; F68-V148 HydrophobicContact CZ-CG2 4.11Å
69K86Confident90.9Very high188 Ų18848.2 Ų48.282%0.81723%0.231SC*.THydrogen-bonded Turntrans-57.4120.5-177.2-172177.1-1781780111.5K71K69-K71 PolarHBondContact O-N 3.42Å
70G85.9Confident91.2Very high70 Ų7046.4 Ų46.472%0.72223%0.225SC*.THydrogen-bonded Turntrans69.320.3-179.600000113.9F68F68-G70 PolarHBondContact O-N 2.95Å; F68-G70 VanDerWaalsContact O-N 3.13Å
71K89.2Confident91.5Very high34 Ų3449.7 Ų49.715%0.14824%0.243CC..SBendtrans-127.5128.8175.7-69.4-64.5-177.6179.30110.3L40 V43 I46 F68 K69 N73L40-K71 VanDerWaalsContact O-CE 3.28Å; L40-K71 WeakPolarHBondContact O-CE 3.36Å; L40-K71 PolarHBondContact O-NZ 3.22Å; V43-K71 PolarHBondContact O-NZ 3.33Å; I46-K71 HydrophobicContact CD1-CB 3.92Å; I46-K71 HydrophobicContact CD1-CG 4.25Å; I46-K71 HydrophobicContact CG1-CB 4.49Å; F68-K71 PolarHBondContact O-N 2.96Å; F68-K71 VanDerWaalsContact O-O 3.11Å; K69-K71 PolarHBondContact O-N 3.42Å; K71-N73 PolarHBondContact O-N 3.15Å; K71-N73 PolarHBondContact O-ND2 3.12Å; K71-N73 VanDerWaalsContact O-ND2 3.16Å
72P92Very high92Very high30 Ų3041 Ų4120%0.19521%0.211CC..  trans-51.8132.6167.3-22.731.7000109.6D44 C45 I46 A128 E132D44-P72 WeakPolarHBondContact O-CD 3.09Å; C45-P72 WeakPolarHBondContact CA-O 3.48Å; C45-P72 HydrophobicContact CB-CB 4.37Å; C45-P72 PolarHBondContact SG-O 2.95Å; C45-P72 VanDerWaalsContact SG-O 3.42Å; I46-P72 PolarHBondContact N-O 2.96Å; P72-A128 HydrophobicContact CB-CB 4.41Å; P72-A128 WeakPolarHBondContact CB-O 3.35Å; P72-E132 HydrophobicContact CG-CB 3.76Å; P72-E132 HydrophobicContact CG-CG 3.93Å
73N92.8Very high92.3Very high36 Ų3639.8 Ų39.819%0.19321%0.207CC..EExtended strand (participates in β ladder)trans-141.2147.3-178.365.889.8000112.3I46 F68 K71I46-N73 HydrophobicContact CB-CB 4.37Å; I46-N73 CarbonylContact O-C 3.56Å; I46-N73 WeakPolarHBondContact O-CA 3.41Å; F68-N73 HydrophobicContact CD1-CB 4.37Å; F68-N73 HydrophobicContact CG-CB 4.42Å; K71-N73 PolarHBondContact O-N 3.15Å; K71-N73 PolarHBondContact O-ND2 3.12Å; K71-N73 VanDerWaalsContact O-ND2 3.16Å
74L94.7Very high92.2Very high5 Ų540.9 Ų40.93%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-125.6140.5179-64.3176.3000109.9I46 E48 E103 Q124 L125 A128I46-L74 PolarHBondContact O-N 2.84Å; E48-L74 PolarHBondContact N-O 2.82Å; L74-E103 HydrophobicContact CD2-CB 3.96Å; L74-Q124 HydrophobicContact CD1-CB 4.18Å; L74-Q124 HydrophobicContact CD2-CB 4.4Å; L74-L125 HydrophobicContact CD1-CB 4.19Å; L74-L125 HydrophobicContact CD1-CD1 4.28Å; L74-A128 HydrophobicContact CD1-CB 4.36Å; L74-A128 HydrophobicContact CD2-CB 4.14Å; L74-A128 HydrophobicContact CG-CB 4.25Å
75L94.9Very high92.4Very high6 Ų640.9 Ų40.93%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-101.1112.7173.7-179.561.4000109.8E48 H50 L77 L95 E103 V104 I105E48-L75 HydrophobicContact CB-CD1 4.22Å; E48-L75 HydrophobicContact CG-CD1 4.37Å; H50-L75 WeakPolarHBondContact CD2-CD1 3.41Å; L75-L77 HydrophobicContact CD1-CD2 4.31Å; L75-L77 HydrophobicContact CD2-CD2 4.34Å; L75-L77 HydrophobicContact CG-CD2 4.18Å; L75-L77 HydrophobicContact CG-CG 4.48Å; L75-L95 HydrophobicContact CD2-CD1 3.78Å; L75-L95 HydrophobicContact CD2-CD2 4.38Å; L75-E103 PolarHBondContact N-O 3.01Å; L75-V104 HydrophobicContact CD2-CG1 4.36Å; L75-V104 HydrophobicContact CD2-CG2 4.14Å; L75-V104 WeakPolarHBondContact O-CA 3.16Å; L75-I105 PolarHBondContact O-N 3.28Å
76F96.6Very high92.6Very high0 Ų038.7 Ų38.70%023%0.226CC..EExtended strand (participates in β ladder)trans-106109176.9-174.6-98.6000111.2V47 E48 V49 H50 N78 I105 F109 T117 L121 L158V47-F76 HydrophobicContact CG1-CB 4.04Å; E48-F76 PolarHBondContact O-N 3.4Å; V49-F76 WeakPolarHBondContact CA-O 3.25Å; V49-F76 HydrophobicContact CG1-CD1 4.23Å; H50-F76 PolarHBondContact N-O 2.87Å; F76-N78 HydrophobicContact CD1-CB 3.82Å; F76-N78 HydrophobicContact CE1-CB 3.5Å; F76-N78 VanDerWaalsContact CE1-CB 3.5Å; F76-N78 PolarHBondContact O-N 3.21Å; F76-I105 CarbonylContact C-O 3.55Å; F76-I105 WeakPolarHBondContact CA-O 3.37Å; F76-I105 HydrophobicContact CD2-CB 3.94Å; F76-I105 HydrophobicContact CD2-CG2 3.83Å; F76-I105 HydrophobicContact CE2-CG2 3.94Å; F76-F109 HydrophobicContact CD1-CE2 4.47Å; F76-F109 HydrophobicContact CE1-CD2 4.44Å; F76-F109 AromaticContact CE1-CE2 3.43Å; F76-F109 HydrophobicContact CE1-CE2 3.43Å; F76-F109 VanDerWaalsContact CE1-CE2 3.43Å; F76-F109 AromaticContact CE1-CZ 3.87Å; F76-F109 HydrophobicContact CE1-CZ 3.87Å; F76-F109 HydrophobicContact CE2-CZ 4.44Å; F76-F109 AromaticContact CZ-CE2 3.62Å; F76-F109 HydrophobicContact CZ-CE2 3.62Å; F76-F109 AromaticContact CZ-CZ 3.63Å; F76-F109 HydrophobicContact CZ-CZ 3.63Å; F76-T117 HydrophobicContact CE2-CG2 3.74Å; F76-T117 HydrophobicContact CZ-CG2 3.49Å; F76-T117 VanDerWaalsContact CZ-CG2 3.49Å; F76-L121 HydrophobicContact CD2-CD1 4.05Å; F76-L121 HydrophobicContact CD2-CD2 4.14Å; F76-L121 HydrophobicContact CE2-CD2 4.32Å; F76-L121 HydrophobicContact CG-CD2 4.46Å; F76-L158 HydrophobicContact CD1-CD1 3.61Å; F76-L158 HydrophobicContact CE1-CD1 3.88Å; F76-L158 HydrophobicContact CG-CD1 4.2Å
77L96.8Very high92.7Very high0 Ų037.6 Ų37.60%022%0.22CC..EExtended strand (participates in β ladder)trans-86.291.5174.6-59.7-178.5000109.3H50 A52 P55 L75 V91 L95 V104 I105 F106 G107H50-L77 HydrophobicContact CB-CD2 3.69Å; A52-L77 HydrophobicContact CB-CB 4.06Å; P55-L77 HydrophobicContact CB-CD1 4.02Å; P55-L77 HydrophobicContact CB-CD2 3.9Å; L75-L77 HydrophobicContact CD1-CD2 4.31Å; L75-L77 HydrophobicContact CD2-CD2 4.34Å; L75-L77 HydrophobicContact CG-CD2 4.18Å; L75-L77 HydrophobicContact CG-CG 4.48Å; L77-V91 HydrophobicContact CD1-CG1 3.97Å; L77-L95 HydrophobicContact CD1-CD1 4.47Å; L77-V104 HydrophobicContact CD1-CG1 3.6Å; L77-V104 HydrophobicContact CG-CG1 4.02Å; L77-I105 PolarHBondContact N-O 3.09Å; L77-F106 HydrophobicContact CB-CD1 3.9Å; L77-F106 HydrophobicContact CB-CE1 4.22Å; L77-F106 HydrophobicContact CB-CG 4.37Å; L77-F106 HydrophobicContact CD1-CD1 3.79Å; L77-F106 HydrophobicContact CD1-CE1 3.24Å; L77-F106 HydrophobicContact CD1-CE2 4.06Å; L77-F106 HydrophobicContact CD1-CG 4.41Å; L77-F106 HydrophobicContact CD1-CZ 3.41Å; L77-F106 VanDerWaalsContact CD1-CZ 3.41Å; L77-F106 HydrophobicContact CG-CD1 4.47Å; L77-F106 HydrophobicContact CG-CE1 4.34Å; L77-G107 PolarHBondContact O-N 3.2Å
78N97.2Very high92.8Very high8 Ų841.7 Ų41.74%0.04324%0.235CC..EExtended strand (participates in β ladder)trans-77.6165.8-179-168.224.7000112.6V49 H50 A52 F76 A80 G107 F109 V153V49-N78 HydrophobicContact CG1-CB 3.98Å; H50-N78 WeakPolarHBondContact O-CA 3.25Å; H50-N78 WeakPolarHBondContact O-CB 3.49Å; H50-N78 PolarHBondContact O-N 3.33Å; A52-N78 WeakPolarHBondContact CB-O 3.21Å; A52-N78 PolarHBondContact N-O 2.97Å; F76-N78 HydrophobicContact CD1-CB 3.82Å; F76-N78 HydrophobicContact CE1-CB 3.5Å; F76-N78 VanDerWaalsContact CE1-CB 3.5Å; F76-N78 PolarHBondContact O-N 3.21Å; N78-A80 PolarHBondContact O-N 2.97Å; N78-G107 CarbonylContact C-O 3.57Å; N78-G107 WeakPolarHBondContact CA-O 3.3Å; N78-F109 WeakPolarHBondContact OD1-CD2 3.41Å; N78-V153 PolarHBondContact ND2-O 3.49Å
79K96Very high93Very high30 Ų3049.2 Ų49.213%0.1326%0.263CS..  trans59.332.7-177.1-44.6-173.3-160.6161.10112.2D51 D81 L82 G107 N152D51-K79 VanDerWaalsContact OD2-CD 3.28Å; D51-K79 WeakPolarHBondContact OD2-CD 3.25Å; D51-K79 WeakPolarHBondContact OD2-CE 3.48Å; D51-K79 IonicContact OD2-NZ 3.94Å; D51-K79 PolarHBondContact OD2-NZ 3.38Å; K79-D81 VanDerWaalsContact C-OD1 3.23Å; K79-D81 VanDerWaalsContact CA-OD1 3.29Å; K79-D81 WeakPolarHBondContact CA-OD1 3.27Å; K79-D81 PolarHBondContact O-N 3.48Å; K79-D81 VanDerWaalsContact O-N 3.11Å; K79-L82 HydrophobicContact CB-CD1 4.13Å; K79-L82 HydrophobicContact CB-CG 4.46Å; K79-L82 HydrophobicContact CD-CD1 4.29Å; K79-L82 WeakPolarHBondContact O-CB 3.44Å; K79-L82 PolarHBondContact O-N 3.03Å; K79-G107 PolarHBondContact N-O 2.84Å; K79-G107 VanDerWaalsContact N-O 3.1Å; K79-N152 VanDerWaalsContact CE-O 3.28Å; K79-N152 WeakPolarHBondContact CE-O 3.44Å; K79-N152 PolarHBondContact NZ-O 3.12Å
80A95.7Very high93.4Very high5 Ų543.9 Ų43.94%0.04124%0.241CC..THydrogen-bonded Turntrans-65.9-10.3179.900000113.5A52 N78 R88 F106 G107A52-A80 HydrophobicContact CB-CB 4.12Å; N78-A80 PolarHBondContact O-N 2.97Å; A80-R88 PolarHBondContact O-NH2 2.87Å; A80-F106 HydrophobicContact CB-CB 4.12Å; A80-G107 VanDerWaalsContact CB-O 3.28Å; A80-G107 WeakPolarHBondContact CB-O 3.45Å; A80-G107 PolarHBondContact N-O 3.19Å
81D94.4Very high93.8Very high72 Ų7240.6 Ų40.639%0.38521%0.207SC..THydrogen-bonded Turntrans-65.9-23.7167.156.8-62.6000112.9K79 S108K79-D81 VanDerWaalsContact C-OD1 3.23Å; K79-D81 VanDerWaalsContact CA-OD1 3.29Å; K79-D81 WeakPolarHBondContact CA-OD1 3.27Å; K79-D81 PolarHBondContact O-N 3.48Å; K79-D81 VanDerWaalsContact O-N 3.11Å; D81-S108 VanDerWaalsContact CG-OG 3.25Å; D81-S108 WeakPolarHBondContact OD1-CB 3.15Å; D81-S108 PolarHBondContact OD1-OG 2.76Å
82L95.2Very high94Very high19 Ų1940.8 Ų40.810%0.09922%0.215CC..THydrogen-bonded Turntrans-92.9-24.1179.7-57.3178.4000113.3R53 K79 Q318R53-L82 HydrophobicContact CG-CB 4.11Å; K79-L82 HydrophobicContact CB-CD1 4.13Å; K79-L82 HydrophobicContact CB-CG 4.46Å; K79-L82 HydrophobicContact CD-CD1 4.29Å; K79-L82 WeakPolarHBondContact O-CB 3.44Å; K79-L82 PolarHBondContact O-N 3.03Å; L82-Q318 WeakPolarHBondContact O-CB 3.34Å; L82-Q318 VanDerWaalsContact O-CG 3.3Å; L82-Q318 WeakPolarHBondContact O-CG 3.35Å; L82-Q318 PolarHBondContact O-N 3.07Å
83A93.8Very high94Very high8 Ų843.6 Ų43.67%0.06623%0.226CC..SBendtrans-102.718.9-168.600000114.9A52 R53A52-A83 VanDerWaalsContact C-CB 3.45Å; A52-A83 HydrophobicContact CB-CB 3.78Å; A52-A83 VanDerWaalsContact O-CB 3.31Å; A52-A83 WeakPolarHBondContact O-CB 3.47Å; R53-A83 HydrophobicContact CG-CB 3.92Å
84G87.5Confident94Very high25 Ų2547 Ų4726%0.25824%0.236SC..  trans57.2-169.4-179.200000114.6R88 D317G84-R88 PolarHBondContact O-NE 2.89Å; G84-R88 PolarHBondContact O-NH2 3.36Å; G84-D317 PolarHBondContact N-OD1 3.47Å
85S91.6Very high93.8Very high90 Ų9046.8 Ų46.863%0.62924%0.235SC*.SBendtrans-117.2-12.1173.658.30000113.8H87 R88S85-H87 PolarHBondContact O-N 3.08Å; S85-R88 PolarHBondContact O-N 3.34Å
86L92Very high93.4Very high129 Ų12949.6 Ų49.668%0.67526%0.259SS*.THydrogen-bonded Turntrans-55.4-47.3-170.9-177.763.3000112.7
87H93.3Very high93Very high23 Ų2355.9 Ų55.911%0.10629%0.292CS..THydrogen-bonded Turntrans-94.5-0.4-173.5-64.6-55.8000114.8S85 R89 Q90 V91 F319 L325S85-H87 PolarHBondContact O-N 3.08Å; H87-R89 VanDerWaalsContact C-N 3.29Å; H87-R89 PolarHBondContact O-N 2.81Å; H87-Q90 PolarHBondContact ND1-OE1 3.44Å; H87-Q90 PolarHBondContact O-N 3.33Å; H87-Q90 VanDerWaalsContact O-N 3.17Å; H87-V91 HydrophobicContact CB-CG2 4.39Å; H87-V91 VanDerWaalsContact O-CG2 3.29Å; H87-V91 WeakPolarHBondContact O-CG2 3.2Å; H87-V91 PolarHBondContact O-N 3.38Å; H87-F319 HydrophobicContact CB-CD1 4.13Å; H87-F319 HydrophobicContact CB-CD2 4.49Å; H87-F319 HydrophobicContact CB-CE1 4.07Å; H87-F319 HydrophobicContact CB-CE2 4.43Å; H87-F319 HydrophobicContact CB-CG 4.34Å; H87-F319 HydrophobicContact CB-CZ 4.23Å; H87-F319 AromaticContact CD2-CD1 3.39Å; H87-F319 WeakPolarHBondContact CD2-CD1 3.24Å; H87-F319 AromaticContact CD2-CE1 3.98Å; H87-F319 AromaticContact CD2-CG 3.87Å; H87-F319 AromaticContact CG-CD1 3.92Å; H87-L325 HydrophobicContact CB-CD1 3.72Å
88R94.1Very high92.4Very high88 Ų8860 Ų6033%0.33231%0.314SS..Hα-helixtrans-57.1-41-171.9-69.6-175.4-176.4-168.10.8113.3A80 G84 S85 A92 F106A80-R88 PolarHBondContact O-NH2 2.87Å; G84-R88 PolarHBondContact O-NE 2.89Å; G84-R88 PolarHBondContact O-NH2 3.36Å; S85-R88 PolarHBondContact O-N 3.34Å; R88-A92 PolarHBondContact O-N 2.61Å; R88-F106 HydrophobicContact CB-CE1 4.2Å; R88-F106 HydrophobicContact CB-CE2 4.13Å; R88-F106 HydrophobicContact CB-CZ 3.94Å; R88-F106 HydrophobicContact CG-CD1 3.9Å; R88-F106 HydrophobicContact CG-CD2 4.49Å; R88-F106 HydrophobicContact CG-CE1 3.78Å; R88-F106 HydrophobicContact CG-CE2 4.41Å; R88-F106 HydrophobicContact CG-CG 4.25Å; R88-F106 HydrophobicContact CG-CZ 4.04Å
89R93.2Very high91.4Very high167 Ų16762 Ų6263%0.6334%0.337SS*.Hα-helixtrans-67.1-47.8178.8-176.5173.958.575-0.2111.8H87 V91 A92 E93H87-R89 VanDerWaalsContact C-N 3.29Å; H87-R89 PolarHBondContact O-N 2.81Å; R89-V91 VanDerWaalsContact C-N 3.28Å; R89-V91 PolarHBondContact O-N 3.29Å; R89-A92 PolarHBondContact O-N 2.71Å; R89-E93 HydrophobicContact CG-CG 4.46Å; R89-E93 VanDerWaalsContact CG-OE1 3.22Å; R89-E93 WeakPolarHBondContact CG-OE1 3.46Å; R89-E93 IonicContact CZ-OE1 3.95Å; R89-E93 IonicContact NH1-OE1 2.81Å; R89-E93 PolarHBondContact NH1-OE1 3.31Å; R89-E93 IonicContact NH1-OE2 2.9Å; R89-E93 PolarHBondContact NH1-OE2 3.07Å; R89-E93 WeakPolarHBondContact O-CG 3.47Å; R89-E93 PolarHBondContact O-N 3.47Å
90Q94.5Very high90.2Very high77 Ų7762.7 Ų62.736%0.3634%0.341SS..Hα-helixtrans-61.7-38.8177.5-63.7175.2-75.500111.5H87 R94 L325H87-Q90 PolarHBondContact ND1-OE1 3.44Å; H87-Q90 PolarHBondContact O-N 3.33Å; H87-Q90 VanDerWaalsContact O-N 3.17Å; Q90-R94 VanDerWaalsContact O-CB 3.25Å; Q90-R94 WeakPolarHBondContact O-CB 3.43Å; Q90-R94 PolarHBondContact O-N 3.47Å; Q90-L325 HydrophobicContact CB-CD1 4.19Å; Q90-L325 HydrophobicContact CB-CD2 4.02Å
91V94.9Very high88.6Confident1 Ų171.5 Ų71.51%0.00638%0.381CS..Hα-helixtrans-60.7-51.6174.1170.70000110.5P55 F56 L77 H87 R89 E93 R94 L95 F106 F319 L325P55-V91 HydrophobicContact CB-CG1 3.83Å; P55-V91 HydrophobicContact CG-CG1 3.82Å; P55-V91 HydrophobicContact CG-CG2 3.98Å; F56-V91 HydrophobicContact CE2-CG2 4.19Å; F56-V91 HydrophobicContact CZ-CB 4.48Å; F56-V91 HydrophobicContact CZ-CG1 4.29Å; F56-V91 HydrophobicContact CZ-CG2 4.38Å; L77-V91 HydrophobicContact CD1-CG1 3.97Å; H87-V91 HydrophobicContact CB-CG2 4.39Å; H87-V91 VanDerWaalsContact O-CG2 3.29Å; H87-V91 WeakPolarHBondContact O-CG2 3.2Å; H87-V91 PolarHBondContact O-N 3.38Å; R89-V91 VanDerWaalsContact C-N 3.28Å; R89-V91 PolarHBondContact O-N 3.29Å; V91-E93 PolarHBondContact O-N 3.06Å; V91-R94 PolarHBondContact O-N 3.48Å; V91-L95 HydrophobicContact CG1-CD1 3.57Å; V91-L95 HydrophobicContact CG1-CG 4.24Å; V91-L95 WeakPolarHBondContact O-CB 3.41Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 2.86Å; V91-F106 HydrophobicContact CB-CZ 4.1Å; V91-F106 HydrophobicContact CG1-CE1 4.36Å; V91-F106 HydrophobicContact CG1-CZ 3.85Å; V91-F319 HydrophobicContact CG2-CE2 3.57Å; V91-F319 HydrophobicContact CG2-CZ 3.57Å; V91-L325 HydrophobicContact CG2-CD2 3.9Å
92A92.6Very high87.4Confident38 Ų3868.8 Ų68.831%0.31437%0.37SS..Hα-helixtrans-60.2-44.4179.800000112.4R88 R89 L95 A96R88-A92 PolarHBondContact O-N 2.61Å; R89-A92 PolarHBondContact O-N 2.71Å; A92-L95 PolarHBondContact O-N 2.83Å; A92-A96 WeakPolarHBondContact O-CB 3.27Å; A92-A96 PolarHBondContact O-N 2.87Å
93E92.1Very high86.8Confident89 Ų8972 Ų7242%0.41638%0.384SS..Hα-helixtrans-61.2-44.7176.5-72.5167-173.500111.7R89 V91 A96 N97R89-E93 HydrophobicContact CG-CG 4.46Å; R89-E93 VanDerWaalsContact CG-OE1 3.22Å; R89-E93 WeakPolarHBondContact CG-OE1 3.46Å; R89-E93 IonicContact CZ-OE1 3.95Å; R89-E93 IonicContact NH1-OE1 2.81Å; R89-E93 PolarHBondContact NH1-OE1 3.31Å; R89-E93 IonicContact NH1-OE2 2.9Å; R89-E93 PolarHBondContact NH1-OE2 3.07Å; R89-E93 WeakPolarHBondContact O-CG 3.47Å; R89-E93 PolarHBondContact O-N 3.47Å; V91-E93 PolarHBondContact O-N 3.06Å; E93-A96 PolarHBondContact O-N 3.44Å; E93-N97 WeakPolarHBondContact O-CB 3.11Å; E93-N97 PolarHBondContact O-N 3.42Å; E93-N97 PolarHBondContact O-ND2 3.38Å
94R92.1Very high86.7Confident107 Ų10773.2 Ų73.240%0.40439%0.391SS..Hα-helixtrans-68.1-39.9-179.7-174.860.9162.1-178.1-5.3112.7F56 Q90 V91 N97 N98F56-R94 HydrophobicContact CE1-CB 4.02Å; F56-R94 HydrophobicContact CE1-CG 3.64Å; F56-R94 HydrophobicContact CZ-CB 3.84Å; F56-R94 HydrophobicContact CZ-CG 3.73Å; Q90-R94 VanDerWaalsContact O-CB 3.25Å; Q90-R94 WeakPolarHBondContact O-CB 3.43Å; Q90-R94 PolarHBondContact O-N 3.47Å; V91-R94 PolarHBondContact O-N 3.48Å; R94-N97 PolarHBondContact O-N 3.47Å; R94-N98 VanDerWaalsContact O-CG 3.24Å; R94-N98 PolarHBondContact O-N 3.19Å; R94-N98 VanDerWaalsContact O-N 3.12Å; R94-N98 PolarHBondContact O-ND2 2.97Å
95L90.5Very high87Confident1 Ų172.7 Ų72.71%0.00538%0.383CS..Hα-helixtrans-64.1-45.1176-67.8168.3000110.5F56 L75 L77 V91 A92 N97 N98 E100 V104F56-L95 HydrophobicContact CD1-CD2 3.78Å; F56-L95 HydrophobicContact CE1-CD2 3.51Å; F56-L95 HydrophobicContact CE1-CG 3.84Å; F56-L95 HydrophobicContact CZ-CD2 4.45Å; F56-L95 HydrophobicContact CZ-CG 4.44Å; L75-L95 HydrophobicContact CD2-CD1 3.78Å; L75-L95 HydrophobicContact CD2-CD2 4.38Å; L77-L95 HydrophobicContact CD1-CD1 4.47Å; V91-L95 HydrophobicContact CG1-CD1 3.57Å; V91-L95 HydrophobicContact CG1-CG 4.24Å; V91-L95 WeakPolarHBondContact O-CB 3.41Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 2.86Å; A92-L95 PolarHBondContact O-N 2.83Å; L95-N97 PolarHBondContact O-N 2.91Å; L95-N98 PolarHBondContact O-N 2.82Å; L95-N98 VanDerWaalsContact O-N 3.12Å; L95-E100 VanDerWaalsContact CB-OE2 3.24Å; L95-E100 WeakPolarHBondContact CB-OE2 3.06Å; L95-E100 WeakPolarHBondContact CD2-OE2 3.37Å; L95-E100 WeakPolarHBondContact O-CB 3.28Å; L95-E100 WeakPolarHBondContact O-CG 3.34Å; L95-E100 PolarHBondContact O-N 2.66Å; L95-V104 HydrophobicContact CB-CG2 4.4Å; L95-V104 HydrophobicContact CD1-CG1 4.03Å; L95-V104 HydrophobicContact CD1-CG2 3.92Å
96A88.3Confident87.2Confident64 Ų6470.8 Ų70.853%0.52936%0.363SS..Hα-helixtrans-59.2-44.7174.600000112.2A92 E93 N98 G99A92-A96 WeakPolarHBondContact O-CB 3.27Å; A92-A96 PolarHBondContact O-N 2.87Å; E93-A96 PolarHBondContact O-N 3.44Å; A96-N98 PolarHBondContact O-N 3.37Å; A96-G99 PolarHBondContact O-N 2.7Å; A96-G99 VanDerWaalsContact O-N 3.07Å
97N87.7Confident87.4Confident132 Ų13264.9 Ų64.971%0.70633%0.333SS*.Hα-helixtrans-64-24.8177.3-72.9-22.1000113.7E93 R94 L95 G99E93-N97 WeakPolarHBondContact O-CB 3.11Å; E93-N97 PolarHBondContact O-N 3.42Å; E93-N97 PolarHBondContact O-ND2 3.38Å; R94-N97 PolarHBondContact O-N 3.47Å; L95-N97 PolarHBondContact O-N 2.91Å; N97-G99 PolarHBondContact O-N 3.19Å
98N84.5Confident87.5Confident87 Ų8764 Ų6447%0.46533%0.329SS..THydrogen-bonded Turntrans-78.55.4175.7-71.2-16.2000113.2R94 L95 A96 E100R94-N98 VanDerWaalsContact O-CG 3.24Å; R94-N98 PolarHBondContact O-N 3.19Å; R94-N98 VanDerWaalsContact O-N 3.12Å; R94-N98 PolarHBondContact O-ND2 2.97Å; L95-N98 PolarHBondContact O-N 2.82Å; L95-N98 VanDerWaalsContact O-N 3.12Å; A96-N98 PolarHBondContact O-N 3.37Å; N98-E100 VanDerWaalsContact C-N 3.32Å; N98-E100 HydrophobicContact CB-CG 4.04Å
99G75.2Confident87.4Confident51 Ų5160.8 Ų60.853%0.52632%0.318SS..THydrogen-bonded Turntrans72.727.3-178.200000112.7A96 N97 E101A96-G99 PolarHBondContact O-N 2.7Å; A96-G99 VanDerWaalsContact O-N 3.07Å; N97-G99 PolarHBondContact O-N 3.19Å; G99-E101 PolarHBondContact O-N 2.8Å
100E71.1Confident87Confident43 Ų4361.2 Ų61.220%0.20132%0.324CS..  trans-88.399.2177.3-56.7173.2170.600108.4R59 L95 N98 G102R59-E100 IonicContact CZ-OE1 2.89Å; R59-E100 IonicContact CZ-OE2 3.44Å; R59-E100 IonicContact NH1-OE1 3.79Å; R59-E100 PolarHBondContact NH1-OE1 2.83Å; R59-E100 IonicContact NH1-OE2 2.7Å; R59-E100 PolarHBondContact NH1-OE2 2.81Å; L95-E100 VanDerWaalsContact CB-OE2 3.24Å; L95-E100 WeakPolarHBondContact CB-OE2 3.06Å; L95-E100 WeakPolarHBondContact CD2-OE2 3.37Å; L95-E100 WeakPolarHBondContact O-CB 3.28Å; L95-E100 WeakPolarHBondContact O-CG 3.34Å; L95-E100 PolarHBondContact O-N 2.66Å; N98-E100 VanDerWaalsContact C-N 3.32Å; N98-E100 HydrophobicContact CB-CG 4.04Å; E100-G102 PolarHBondContact O-N 3.04Å; E100-G102 VanDerWaalsContact O-N 3.08Å
101E62.5Low86.2Confident190 Ų19059 Ų5989%0.88832%0.318SS*.  trans-70.9-1.2-169.4-63.9174.6168.200114.6G99G99-E101 PolarHBondContact O-N 2.8Å
102G68.9Low85.7Confident15 Ų1564.8 Ų64.816%0.15536%0.358CS..SBendtrans-88.5142.3-17500000113.5E100 V104E100-G102 PolarHBondContact O-N 3.04Å; E100-G102 VanDerWaalsContact O-N 3.08Å; G102-V104 PolarHBondContact O-N 3.31Å
103E82.5Confident85.6Confident86 Ų8666.4 Ų66.440%0.40236%0.361SS..EExtended strand (participates in β ladder)trans-63.6131.9170-171.7179.4168.900110.8L74 L75 I105 Q124L74-E103 HydrophobicContact CD2-CB 3.96Å; L75-E103 PolarHBondContact N-O 3.01Å; E103-I105 HydrophobicContact CG-CG1 4.49Å; E103-Q124 WeakPolarHBondContact OE1-CG 3.37Å; E103-Q124 PolarHBondContact OE1-NE2 3.12Å; E103-Q124 VanDerWaalsContact OE2-CG 3.28Å; E103-Q124 WeakPolarHBondContact OE2-CG 3.49Å; E103-Q124 PolarHBondContact OE2-NE2 3.04Å; E103-Q124 PolarHBondContact OE2-OE1 3.06Å
104V91.7Very high85.7Confident35 Ų3564.5 Ų64.521%0.21235%0.352CS..EExtended strand (participates in β ladder)trans-96118.5-178.8-172.40000110.2L75 L77 L95 G102 F106L75-V104 HydrophobicContact CD2-CG1 4.36Å; L75-V104 HydrophobicContact CD2-CG2 4.14Å; L75-V104 WeakPolarHBondContact O-CA 3.16Å; L77-V104 HydrophobicContact CD1-CG1 3.6Å; L77-V104 HydrophobicContact CG-CG1 4.02Å; L95-V104 HydrophobicContact CB-CG2 4.4Å; L95-V104 HydrophobicContact CD1-CG1 4.03Å; L95-V104 HydrophobicContact CD1-CG2 3.92Å; G102-V104 PolarHBondContact O-N 3.31Å; V104-F106 HydrophobicContact CG1-CD2 4.35Å; V104-F106 HydrophobicContact CG1-CE2 3.81Å; V104-F106 HydrophobicContact CG1-CZ 4.26Å
105I94.5Very high85.8Confident14 Ų1467.8 Ų67.87%0.07236%0.364CS..EExtended strand (participates in β ladder)trans-116.9122.3-179.4-54.5170.3000109L75 F76 L77 E103 L121 Q124L75-I105 PolarHBondContact O-N 3.28Å; F76-I105 CarbonylContact C-O 3.55Å; F76-I105 WeakPolarHBondContact CA-O 3.37Å; F76-I105 HydrophobicContact CD2-CB 3.94Å; F76-I105 HydrophobicContact CD2-CG2 3.83Å; F76-I105 HydrophobicContact CE2-CG2 3.94Å; L77-I105 PolarHBondContact N-O 3.09Å; E103-I105 HydrophobicContact CG-CG1 4.49Å; I105-L121 HydrophobicContact CD1-CD1 3.96Å; I105-Q124 HydrophobicContact CD1-CB 3.64Å; I105-Q124 HydrophobicContact CD1-CG 3.69Å; I105-Q124 HydrophobicContact CG1-CG 4.35Å
106F95.3Very high86.1Confident49 Ų4975.1 Ų75.122%0.21540%0.396CS..EExtended strand (participates in β ladder)trans-93.8131.6172.3-65-99.4000110L77 A80 R88 V91 V104L77-F106 HydrophobicContact CB-CD1 3.9Å; L77-F106 HydrophobicContact CB-CE1 4.22Å; L77-F106 HydrophobicContact CB-CG 4.37Å; L77-F106 HydrophobicContact CD1-CD1 3.79Å; L77-F106 HydrophobicContact CD1-CE1 3.24Å; L77-F106 HydrophobicContact CD1-CE2 4.06Å; L77-F106 HydrophobicContact CD1-CG 4.41Å; L77-F106 HydrophobicContact CD1-CZ 3.41Å; L77-F106 VanDerWaalsContact CD1-CZ 3.41Å; L77-F106 HydrophobicContact CG-CD1 4.47Å; L77-F106 HydrophobicContact CG-CE1 4.34Å; A80-F106 HydrophobicContact CB-CB 4.12Å; R88-F106 HydrophobicContact CB-CE1 4.2Å; R88-F106 HydrophobicContact CB-CE2 4.13Å; R88-F106 HydrophobicContact CB-CZ 3.94Å; R88-F106 HydrophobicContact CG-CD1 3.9Å; R88-F106 HydrophobicContact CG-CD2 4.49Å; R88-F106 HydrophobicContact CG-CE1 3.78Å; R88-F106 HydrophobicContact CG-CE2 4.41Å; R88-F106 HydrophobicContact CG-CG 4.25Å; R88-F106 HydrophobicContact CG-CZ 4.04Å; V91-F106 HydrophobicContact CB-CZ 4.1Å; V91-F106 HydrophobicContact CG1-CE1 4.36Å; V91-F106 HydrophobicContact CG1-CZ 3.85Å; V104-F106 HydrophobicContact CG1-CD2 4.35Å; V104-F106 HydrophobicContact CG1-CE2 3.81Å; V104-F106 HydrophobicContact CG1-CZ 4.26Å
107G95.8Very high86.5Confident5 Ų572.6 Ų72.65%0.05237%0.374CS..  trans-161.4171.1-179.300000115.6L77 N78 K79 A80L77-G107 PolarHBondContact O-N 3.2Å; N78-G107 CarbonylContact C-O 3.57Å; N78-G107 WeakPolarHBondContact CA-O 3.3Å; K79-G107 PolarHBondContact N-O 2.84Å; K79-G107 VanDerWaalsContact N-O 3.1Å; A80-G107 VanDerWaalsContact CB-O 3.28Å; A80-G107 WeakPolarHBondContact CB-O 3.45Å; A80-G107 PolarHBondContact N-O 3.19Å
108S95.8Very high86.9Confident4 Ų466.3 Ų66.33%0.02834%0.34CS..  trans-145.5143.8173.5-175.60000111.2D81 K110 K114 T117D81-S108 VanDerWaalsContact CG-OG 3.25Å; D81-S108 WeakPolarHBondContact OD1-CB 3.15Å; D81-S108 PolarHBondContact OD1-OG 2.76Å; S108-K110 PolarHBondContact OG-N 3.41Å; S108-K114 WeakPolarHBondContact O-CA 3.49Å; S108-T117 PolarHBondContact N-OG1 3.13Å; S108-T117 WeakPolarHBondContact O-CB 3.33Å; S108-T117 PolarHBondContact O-OG1 2.55Å; S108-T117 VanDerWaalsContact O-OG1 3.09Å
109F92.3Very high87.5Confident22 Ų2267 Ų6710%0.09634%0.339CS..SBendtrans-104.63.4174.9-57.1-71.5000113.5F76 N78 K114 T117 L121 L158 A161F76-F109 HydrophobicContact CD1-CE2 4.47Å; F76-F109 HydrophobicContact CE1-CD2 4.44Å; F76-F109 AromaticContact CE1-CE2 3.43Å; F76-F109 HydrophobicContact CE1-CE2 3.43Å; F76-F109 VanDerWaalsContact CE1-CE2 3.43Å; F76-F109 AromaticContact CE1-CZ 3.87Å; F76-F109 HydrophobicContact CE1-CZ 3.87Å; F76-F109 HydrophobicContact CE2-CZ 4.44Å; F76-F109 AromaticContact CZ-CE2 3.62Å; F76-F109 HydrophobicContact CZ-CE2 3.62Å; F76-F109 AromaticContact CZ-CZ 3.63Å; F76-F109 HydrophobicContact CZ-CZ 3.63Å; N78-F109 WeakPolarHBondContact OD1-CD2 3.41Å; F109-K114 HydrophobicContact CD1-CG 4.4Å; F109-T117 HydrophobicContact CD1-CG2 4.18Å; F109-T117 HydrophobicContact CE1-CG2 3.61Å; F109-T117 HydrophobicContact CE2-CG2 4.43Å; F109-T117 HydrophobicContact CZ-CG2 3.73Å; F109-L121 HydrophobicContact CZ-CD2 4.36Å; F109-L158 HydrophobicContact CD2-CB 4.23Å; F109-L158 HydrophobicContact CE2-CB 3.6Å; F109-L158 HydrophobicContact CE2-CD1 3.76Å; F109-L158 HydrophobicContact CE2-CG 3.48Å; F109-L158 VanDerWaalsContact CE2-CG 3.48Å; F109-L158 HydrophobicContact CZ-CB 4.07Å; F109-L158 HydrophobicContact CZ-CD1 3.92Å; F109-L158 HydrophobicContact CZ-CG 3.49Å; F109-L158 VanDerWaalsContact CZ-CG 3.49Å; F109-A161 HydrophobicContact CB-CB 3.99Å; F109-A161 HydrophobicContact CD1-CB 3.37Å; F109-A161 HydrophobicContact CE1-CB 4.02Å; F109-A161 HydrophobicContact CG-CB 3.77Å
110K83.9Confident88.5Confident175 Ų17566.7 Ų66.776%0.76133%0.332SS*.SBendtrans-107.8-16.9-179.8-74.7-172.2176.4178.80114.3S108S108-K110 PolarHBondContact OG-N 3.41Å
111S77.8Confident89.8Confident32 Ų3264.6 Ų64.622%0.22432%0.322CS..SBendtrans-93.2177.9178.768.20000111.8D113 K114S111-D113 PolarHBondContact O-N 2.75Å; S111-D113 VanDerWaalsContact OG-CB 3.3Å; S111-D113 WeakPolarHBondContact OG-CB 3.28Å; S111-D113 PolarHBondContact OG-N 3.4Å; S111-D113 VanDerWaalsContact OG-N 3.14Å; S111-D113 PolarHBondContact OG-OD2 3.03Å; S111-D113 VanDerWaalsContact OG-OD2 3.1Å; S111-K114 PolarHBondContact O-N 3.45Å; S111-K114 VanDerWaalsContact O-N 3.12Å
112S84.8Confident91.4Very high122 Ų12255.8 Ų55.885%0.85328%0.281SS*.THydrogen-bonded Turntrans-53.6-18.1165.7480000113.2K114S112-K114 VanDerWaalsContact C-N 3.28Å; S112-K114 PolarHBondContact O-N 3.43Å
113D89.8Confident92.7Very high71 Ų7160 Ų6038%0.3830%0.297SS..THydrogen-bonded Turntrans-79.2-0.9178.2-56.4-57.7000114.3S111 R115 K116 T117S111-D113 PolarHBondContact O-N 2.75Å; S111-D113 VanDerWaalsContact OG-CB 3.3Å; S111-D113 WeakPolarHBondContact OG-CB 3.28Å; S111-D113 PolarHBondContact OG-N 3.4Å; S111-D113 VanDerWaalsContact OG-N 3.14Å; S111-D113 PolarHBondContact OG-OD2 3.03Å; S111-D113 VanDerWaalsContact OG-OD2 3.1Å; D113-R115 VanDerWaalsContact C-N 3.29Å; D113-R115 PolarHBondContact O-N 3.12Å; D113-K116 PolarHBondContact O-N 3.12Å; D113-T117 VanDerWaalsContact O-CB 3.31Å; D113-T117 WeakPolarHBondContact O-CB 3.45Å; D113-T117 PolarHBondContact O-N 3.27Å; D113-T117 PolarHBondContact O-OG1 3.46Å
114K94.5Very high93.3Very high49 Ų4957.2 Ų57.221%0.21328%0.283CS..Hα-helixtrans-48.5-51.1-177.6178.4-174.9177.1-178.10111.9S108 F109 S111 S112 T117 C118 E164S108-K114 WeakPolarHBondContact O-CA 3.49Å; F109-K114 HydrophobicContact CD1-CG 4.4Å; S111-K114 PolarHBondContact O-N 3.45Å; S111-K114 VanDerWaalsContact O-N 3.12Å; S112-K114 VanDerWaalsContact C-N 3.28Å; S112-K114 PolarHBondContact O-N 3.43Å; K114-T117 PolarHBondContact O-N 3.29Å; K114-C118 WeakPolarHBondContact O-CB 3.35Å; K114-C118 PolarHBondContact O-N 3.27Å; K114-C118 PolarHBondContact O-SG 2.87Å; K114-E164 IonicContact NZ-OE1 2.73Å; K114-E164 PolarHBondContact NZ-OE1 3.49Å; K114-E164 IonicContact NZ-OE2 3.3Å; K114-E164 PolarHBondContact NZ-OE2 3.25Å
115R95.1Very high93.5Very high176 Ų17655.5 Ų55.566%0.66427%0.273SS*.Hα-helixtrans-63.5-52.2-178.9-165.7174-170.7-161.51.7110.8D113 T117 C118 F119D113-R115 VanDerWaalsContact C-N 3.29Å; D113-R115 PolarHBondContact O-N 3.12Å; R115-T117 VanDerWaalsContact C-N 3.28Å; R115-T117 PolarHBondContact O-N 3.07Å; R115-C118 WeakPolarHBondContact O-CB 2.98Å; R115-C118 PolarHBondContact O-N 3.1Å; R115-F119 HydrophobicContact CG-CD2 3.81Å; R115-F119 HydrophobicContact CG-CE2 3.63Å; R115-F119 VanDerWaalsContact O-CD2 3.28Å; R115-F119 WeakPolarHBondContact O-CD2 3.18Å; R115-F119 PolarHBondContact O-N 3.22Å
116K95.8Very high93.5Very high156 Ų15658.3 Ų58.368%0.67828%0.283SS*.Hα-helixtrans-53.3-45.7177.5-177.9-177176.7-178.70111.9D113 F119 A120D113-K116 PolarHBondContact O-N 3.12Å; K116-F119 PolarHBondContact O-N 3.3Å; K116-A120 WeakPolarHBondContact O-CB 3.2Å; K116-A120 PolarHBondContact O-N 2.99Å
117T96.9Very high93.5Very high10 Ų1063 Ų636%0.06130%0.299CS..Hα-helixtrans-60.5-46.3176.8-61.20000111.6F76 S108 F109 D113 K114 R115 F119 A120 L121F76-T117 HydrophobicContact CE2-CG2 3.74Å; F76-T117 HydrophobicContact CZ-CG2 3.49Å; F76-T117 VanDerWaalsContact CZ-CG2 3.49Å; S108-T117 PolarHBondContact N-OG1 3.13Å; S108-T117 WeakPolarHBondContact O-CB 3.33Å; S108-T117 PolarHBondContact O-OG1 2.55Å; S108-T117 VanDerWaalsContact O-OG1 3.09Å; F109-T117 HydrophobicContact CD1-CG2 4.18Å; F109-T117 HydrophobicContact CE1-CG2 3.61Å; F109-T117 HydrophobicContact CE2-CG2 4.43Å; F109-T117 HydrophobicContact CZ-CG2 3.73Å; D113-T117 VanDerWaalsContact O-CB 3.31Å; D113-T117 WeakPolarHBondContact O-CB 3.45Å; D113-T117 PolarHBondContact O-N 3.27Å; D113-T117 PolarHBondContact O-OG1 3.46Å; K114-T117 PolarHBondContact O-N 3.29Å; R115-T117 VanDerWaalsContact C-N 3.28Å; R115-T117 PolarHBondContact O-N 3.07Å; T117-F119 PolarHBondContact O-N 3.19Å; T117-A120 PolarHBondContact O-N 2.98Å; T117-L121 WeakPolarHBondContact O-CB 3.24Å; T117-L121 PolarHBondContact O-N 3.41Å
118C97.1Very high93.4Very high0 Ų063.9 Ų63.90%031%0.306CS..Hα-helixtrans-60-45.6178.2-70.80000111.9K114 R115 M122 L162 C165 F166K114-C118 WeakPolarHBondContact O-CB 3.35Å; K114-C118 PolarHBondContact O-N 3.27Å; K114-C118 PolarHBondContact O-SG 2.87Å; R115-C118 WeakPolarHBondContact O-CB 2.98Å; R115-C118 PolarHBondContact O-N 3.1Å; C118-M122 WeakPolarHBondContact O-CB 3.16Å; C118-M122 VanDerWaalsContact O-CG 3.28Å; C118-M122 WeakPolarHBondContact O-CG 3.28Å; C118-M122 PolarHBondContact O-N 2.94Å; C118-L162 HydrophobicContact CB-CD2 3.89Å; C118-C165 HydrophobicContact CB-CB 4.03Å; C118-F166 HydrophobicContact CB-CE2 3.76Å; C118-F166 HydrophobicContact CB-CZ 4.21Å
119F96.9Very high93.3Very high101 Ų10163.8 Ų63.844%0.44331%0.305SS..Hα-helixtrans-67.5-43.1178-81.2-87.4000112.8R115 K116 T117 M122 H123 F166R115-F119 HydrophobicContact CG-CD2 3.81Å; R115-F119 HydrophobicContact CG-CE2 3.63Å; R115-F119 VanDerWaalsContact O-CD2 3.28Å; R115-F119 WeakPolarHBondContact O-CD2 3.18Å; R115-F119 PolarHBondContact O-N 3.22Å; K116-F119 PolarHBondContact O-N 3.3Å; T117-F119 PolarHBondContact O-N 3.19Å; F119-M122 PolarHBondContact O-N 3.48Å; F119-H123 WeakPolarHBondContact O-CB 3.21Å; F119-H123 PolarHBondContact O-N 2.86Å; F119-F166 HydrophobicContact CD1-CE1 4.03Å; F119-F166 HydrophobicContact CD1-CZ 4.13Å; F119-F166 HydrophobicContact CD2-CZ 4.24Å; F119-F166 AromaticContact CE1-CE1 3.76Å; F119-F166 HydrophobicContact CE1-CE1 3.76Å; F119-F166 HydrophobicContact CE1-CZ 4.25Å; F119-F166 HydrophobicContact CE2-CE1 4.34Å; F119-F166 HydrophobicContact CE2-CZ 4.32Å; F119-F166 HydrophobicContact CG-CE1 4.45Å; F119-F166 HydrophobicContact CG-CZ 4.13Å; F119-F166 AromaticContact CZ-CE1 3.92Å; F119-F166 HydrophobicContact CZ-CE1 3.92Å; F119-F166 HydrophobicContact CZ-CZ 4.34Å
120A96.3Very high93.3Very high45 Ų4568 Ų6837%0.37233%0.325SS..Hα-helixtrans-61.1-47.6177.500000111.7K116 T117 H123 Q124K116-A120 WeakPolarHBondContact O-CB 3.2Å; K116-A120 PolarHBondContact O-N 2.99Å; T117-A120 PolarHBondContact O-N 2.98Å; A120-H123 PolarHBondContact O-N 3.44Å; A120-Q124 PolarHBondContact O-N 2.65Å
121L96.9Very high93.5Very high0 Ų062.8 Ų62.80%032%0.32CS..Hα-helixtrans-63.6-43.6177.9178.858.3000112V47 F76 I105 F109 T117 H123 Q124 L125 L158 L162V47-L121 HydrophobicContact CG1-CD1 4.45Å; F76-L121 HydrophobicContact CD2-CD1 4.05Å; F76-L121 HydrophobicContact CD2-CD2 4.14Å; F76-L121 HydrophobicContact CE2-CD2 4.32Å; F76-L121 HydrophobicContact CG-CD2 4.46Å; I105-L121 HydrophobicContact CD1-CD1 3.96Å; F109-L121 HydrophobicContact CZ-CD2 4.36Å; T117-L121 WeakPolarHBondContact O-CB 3.24Å; T117-L121 PolarHBondContact O-N 3.41Å; L121-H123 VanDerWaalsContact C-N 3.34Å; L121-H123 PolarHBondContact O-N 3Å; L121-Q124 PolarHBondContact O-N 3.49Å; L121-L125 WeakPolarHBondContact O-CB 2.93Å; L121-L125 PolarHBondContact O-N 3.5Å; L121-L158 HydrophobicContact CD2-CD1 3.78Å; L121-L158 HydrophobicContact CD2-CD2 3.9Å; L121-L158 HydrophobicContact CD2-CG 4.04Å; L121-L162 HydrophobicContact CD2-CD1 4.09Å; L121-L162 HydrophobicContact CD2-CD2 4.48Å
122M97Very high93.9Very high4 Ų467 Ų672%0.0234%0.337CS..Hα-helixtrans-65.3-36.8178.2-77.4-64.3-69.200113.1C118 F119 L125 R126 L162 F166 I192 I198C118-M122 WeakPolarHBondContact O-CB 3.16Å; C118-M122 VanDerWaalsContact O-CG 3.28Å; C118-M122 WeakPolarHBondContact O-CG 3.28Å; C118-M122 PolarHBondContact O-N 2.94Å; F119-M122 PolarHBondContact O-N 3.48Å; M122-L125 HydrophobicContact SD-CD2 4.03Å; M122-R126 WeakPolarHBondContact O-CG 3.24Å; M122-R126 PolarHBondContact O-N 3.41Å; M122-L162 HydrophobicContact CG-CD2 4Å; M122-L162 HydrophobicContact SD-CD1 4.34Å; M122-L162 HydrophobicContact SD-CD2 4.41Å; M122-F166 HydrophobicContact CB-CE2 4.15Å; M122-F166 HydrophobicContact CB-CZ 3.98Å; M122-F166 HydrophobicContact CE-CD2 4.45Å; M122-F166 HydrophobicContact CG-CD2 3.71Å; M122-F166 HydrophobicContact CG-CE1 4.28Å; M122-F166 HydrophobicContact CG-CE2 3.2Å; M122-F166 HydrophobicContact CG-CG 4.45Å; M122-F166 HydrophobicContact CG-CZ 3.53Å; M122-F166 HydrophobicContact SD-CD2 4.32Å; M122-F166 HydrophobicContact SD-CE2 4.36Å; M122-I192 HydrophobicContact SD-CD1 3.93Å; M122-I198 HydrophobicContact CE-CD1 3.62Å
123H96.4Very high93.9Very high104 Ų10466.4 Ų66.448%0.48132%0.322SS..Hα-helixtrans-60-51.5175.9177.371000110.7F119 A120 L121 R126 R127F119-H123 WeakPolarHBondContact O-CB 3.21Å; F119-H123 PolarHBondContact O-N 2.86Å; A120-H123 PolarHBondContact O-N 3.44Å; L121-H123 VanDerWaalsContact C-N 3.34Å; L121-H123 PolarHBondContact O-N 3Å; H123-R126 PolarHBondContact O-N 2.95Å; H123-R127 WeakPolarHBondContact NE2-CD 3.33Å; H123-R127 WeakPolarHBondContact O-CG 3.48Å; H123-R127 PolarHBondContact O-N 3.44Å; H123-R127 VanDerWaalsContact O-N 3.09Å
124Q95.6Very high93.9Very high27 Ų2765.2 Ų65.213%0.12631%0.312CS..Hα-helixtrans-70.3-34.1-179.8-58-54.1900113.2L74 E103 I105 A120 L121 R126 R127 A128L74-Q124 HydrophobicContact CD1-CB 4.18Å; L74-Q124 HydrophobicContact CD2-CB 4.4Å; E103-Q124 WeakPolarHBondContact OE1-CG 3.37Å; E103-Q124 PolarHBondContact OE1-NE2 3.12Å; E103-Q124 VanDerWaalsContact OE2-CG 3.28Å; E103-Q124 WeakPolarHBondContact OE2-CG 3.49Å; E103-Q124 PolarHBondContact OE2-NE2 3.04Å; E103-Q124 PolarHBondContact OE2-OE1 3.06Å; I105-Q124 HydrophobicContact CD1-CB 3.64Å; I105-Q124 HydrophobicContact CD1-CG 3.69Å; I105-Q124 HydrophobicContact CG1-CG 4.35Å; A120-Q124 PolarHBondContact O-N 2.65Å; L121-Q124 PolarHBondContact O-N 3.49Å; Q124-R126 VanDerWaalsContact C-N 3.34Å; Q124-R126 PolarHBondContact O-N 3.02Å; Q124-R127 PolarHBondContact O-N 3.11Å; Q124-A128 WeakPolarHBondContact O-CB 3.47Å; Q124-A128 PolarHBondContact O-N 3.06Å
125L95.6Very high93.3Very high0 Ų068 Ų680%032%0.324CS..Hα-helixtrans-58.7-45.6174.1-178.362.8000112C45 V47 L74 L121 M122 I129 V145 I198 M200C45-L125 HydrophobicContact CB-CD1 4.26Å; V47-L125 HydrophobicContact CG2-CD1 3.94Å; L74-L125 HydrophobicContact CD1-CB 4.19Å; L74-L125 HydrophobicContact CD1-CD1 4.28Å; L121-L125 WeakPolarHBondContact O-CB 2.93Å; L121-L125 PolarHBondContact O-N 3.5Å; M122-L125 HydrophobicContact SD-CD2 4.03Å; L125-I129 HydrophobicContact CD1-CD1 3.91Å; L125-I129 HydrophobicContact CG-CD1 3.98Å; L125-I129 WeakPolarHBondContact O-CD1 3.45Å; L125-I129 VanDerWaalsContact O-CG1 3.25Å; L125-I129 WeakPolarHBondContact O-CG1 3.43Å; L125-I129 PolarHBondContact O-N 3.24Å; L125-I129 VanDerWaalsContact O-N 3.15Å; L125-V145 HydrophobicContact CD1-CB 4.49Å; L125-V145 HydrophobicContact CD1-CG1 3.87Å; L125-V145 HydrophobicContact CD1-CG2 3.78Å; L125-V145 HydrophobicContact CD2-CG2 4.08Å; L125-V145 HydrophobicContact CG-CG2 4.25Å; L125-I198 HydrophobicContact CD2-CD1 4.49Å; L125-M200 HydrophobicContact CD2-CE 3.72Å
126R94.8Very high92.8Very high72 Ų7266.3 Ų66.327%0.27232%0.323SS..Hα-helixtrans-65.3-47.4176.9-70.6178.3-167.4-167.71.6111.2M122 H123 Q124 A128 I129 E130 R195 I198M122-R126 WeakPolarHBondContact O-CG 3.24Å; M122-R126 PolarHBondContact O-N 3.41Å; H123-R126 PolarHBondContact O-N 2.95Å; Q124-R126 VanDerWaalsContact C-N 3.34Å; Q124-R126 PolarHBondContact O-N 3.02Å; R126-A128 VanDerWaalsContact C-N 3.3Å; R126-A128 PolarHBondContact O-N 3.38Å; R126-I129 PolarHBondContact O-N 3.44Å; R126-I129 VanDerWaalsContact O-N 3.12Å; R126-E130 VanDerWaalsContact O-CB 3.31Å; R126-E130 WeakPolarHBondContact O-CB 3.38Å; R126-E130 WeakPolarHBondContact O-CG 3.3Å; R126-E130 PolarHBondContact O-N 3.15Å; R126-R195 PolarHBondContact NH2-O 3.43Å; R126-I198 HydrophobicContact CG-CD1 4.48Å
127R94.6Very high92.6Very high149 Ų14959.6 Ų59.656%0.56229%0.294SS*.Hα-helixtrans-56.5-43.4177.5-73.8-177.462.9-174.8-1.4112.6H123 Q124 G131H123-R127 WeakPolarHBondContact NE2-CD 3.33Å; H123-R127 WeakPolarHBondContact O-CG 3.48Å; H123-R127 PolarHBondContact O-N 3.44Å; H123-R127 VanDerWaalsContact O-N 3.09Å; Q124-R127 PolarHBondContact O-N 3.11Å; R127-G131 PolarHBondContact O-N 3.46Å
128A92.9Very high92.1Very high22 Ų2265.1 Ų65.118%0.18232%0.319CS..Hα-helixtrans-66.5-34.7178.200000113.1P72 L74 Q124 R126P72-A128 HydrophobicContact CB-CB 4.41Å; P72-A128 WeakPolarHBondContact CB-O 3.35Å; L74-A128 HydrophobicContact CD1-CB 4.36Å; L74-A128 HydrophobicContact CD2-CB 4.14Å; L74-A128 HydrophobicContact CG-CB 4.25Å; Q124-A128 WeakPolarHBondContact O-CB 3.47Å; Q124-A128 PolarHBondContact O-N 3.06Å; R126-A128 VanDerWaalsContact C-N 3.3Å; R126-A128 PolarHBondContact O-N 3.38Å
129I93.5Very high91.7Very high2 Ų269.2 Ų69.21%0.0136%0.361CS..Hα-helixtrans-78.8-40.5179.1-67.6165.9000111.5D44 C45 L125 R126 Y143 V145D44-I129 HydrophobicContact CB-CG1 4.37Å; D44-I129 HydrophobicContact CB-CG2 4.15Å; C45-I129 HydrophobicContact CB-CD1 3.93Å; C45-I129 HydrophobicContact CB-CG1 3.41Å; C45-I129 VanDerWaalsContact CB-CG1 3.41Å; L125-I129 HydrophobicContact CD1-CD1 3.91Å; L125-I129 HydrophobicContact CG-CD1 3.98Å; L125-I129 WeakPolarHBondContact O-CD1 3.45Å; L125-I129 VanDerWaalsContact O-CG1 3.25Å; L125-I129 WeakPolarHBondContact O-CG1 3.43Å; L125-I129 PolarHBondContact O-N 3.24Å; L125-I129 VanDerWaalsContact O-N 3.15Å; R126-I129 PolarHBondContact O-N 3.44Å; R126-I129 VanDerWaalsContact O-N 3.12Å; I129-Y143 HydrophobicContact CD1-CD2 4.04Å; I129-Y143 HydrophobicContact CD1-CG 4.19Å; I129-Y143 HydrophobicContact CG2-CD1 3.9Å; I129-Y143 HydrophobicContact CG2-CD2 4.07Å; I129-Y143 HydrophobicContact CG2-CE1 4.02Å; I129-Y143 HydrophobicContact CG2-CE2 4.16Å; I129-Y143 HydrophobicContact CG2-CG 3.95Å; I129-V145 HydrophobicContact CD1-CG2 3.87Å
130E92.5Very high91.4Very high112 Ų11267.6 Ų67.652%0.52336%0.357SS..Hα-helixtrans-85.1-20.8-173.2-68.1168.9177.900112.7R126 E132 Y143R126-E130 VanDerWaalsContact O-CB 3.31Å; R126-E130 WeakPolarHBondContact O-CB 3.38Å; R126-E130 WeakPolarHBondContact O-CG 3.3Å; R126-E130 PolarHBondContact O-N 3.15Å; E130-E132 VanDerWaalsContact C-N 3.3Å; E130-Y143 HydrophobicContact CG-CE2 4.3Å; E130-Y143 WeakPolarHBondContact CG-OH 3.26Å; E130-Y143 WeakPolarHBondContact OE1-CE2 3.37Å; E130-Y143 PolarHBondContact OE1-OH 3.35Å
131G89.1Confident91.2Very high64 Ų6469.5 Ų69.566%0.6637%0.373SS*.THydrogen-bonded Turntrans-79.4-7.2175.900000114.9R127R127-G131 PolarHBondContact O-N 3.46Å
132E85.7Confident91.2Very high122 Ų12271.2 Ų71.257%0.5738%0.38SS*.SBendtrans-130.3153.4-170.9-73.8-71.6167.300111.6P72 E130 R134P72-E132 HydrophobicContact CG-CB 3.76Å; P72-E132 HydrophobicContact CG-CG 3.93Å; E130-E132 VanDerWaalsContact C-N 3.3Å; E132-R134 PolarHBondContact O-N 3.45Å
133M85.6Confident91.2Very high109 Ų10972.4 Ų72.454%0.53739%0.385SS..  trans-72.1128.5177.3-166.8159.275.300110.8F135M133-F135 HydrophobicContact CB-CD2 4.33Å; M133-F135 HydrophobicContact CB-CE2 3.97Å; M133-F135 HydrophobicContact CB-CZ 4.21Å; M133-F135 HydrophobicContact CE-CD1 3.64Å; M133-F135 HydrophobicContact CE-CE1 3Å; M133-F135 HydrophobicContact CE-CE2 4.18Å; M133-F135 HydrophobicContact CE-CG 4.46Å; M133-F135 HydrophobicContact CE-CZ 3.32Å; M133-F135 WeakPolarHBondContact O-CD2 3.36Å; M133-F135 PolarHBondContact O-N 3.4Å
134R89.2Confident91.2Very high45 Ų4567.7 Ų67.717%0.1736%0.363CS..  trans-84.261.3-175.8-64.5175.959.9-158.40.2112.1D44 E132 H136 R137 E138 L140 E142D44-R134 IonicContact OD1-CZ 3.68Å; D44-R134 IonicContact OD1-NE 2.82Å; D44-R134 PolarHBondContact OD1-NE 3.46Å; D44-R134 IonicContact OD1-NH2 2.8Å; D44-R134 PolarHBondContact OD1-NH2 3.15Å; D44-R134 IonicContact OD2-NH2 3.35Å; D44-R134 PolarHBondContact OD2-NH2 2.93Å; E132-R134 PolarHBondContact O-N 3.45Å; R134-H136 PolarHBondContact O-N 2.93Å; R134-R137 HydrophobicContact CB-CB 4.45Å; R134-R137 CarbonylContact O-C 3.59Å; R134-R137 WeakPolarHBondContact O-CA 3.36Å; R134-R137 PolarHBondContact O-N 3.44Å; R134-E138 PolarHBondContact O-N 2.93Å; R134-E138 VanDerWaalsContact O-N 3.16Å; R134-L140 PolarHBondContact NH1-O 2.93Å; R134-L140 PolarHBondContact NH2-O 2.61Å; R134-E142 PolarHBondContact NH2-O 3.04Å
135F81.6Confident91.2Very high109 Ų10966.4 Ų66.448%0.47836%0.357SS..THydrogen-bonded Turntrans-47.2126.3-179-63.2-84.8000112.2M133 R137M133-F135 HydrophobicContact CB-CD2 4.33Å; M133-F135 HydrophobicContact CB-CE2 3.97Å; M133-F135 HydrophobicContact CB-CZ 4.21Å; M133-F135 HydrophobicContact CE-CD1 3.64Å; M133-F135 HydrophobicContact CE-CE1 3Å; M133-F135 HydrophobicContact CE-CE2 4.18Å; M133-F135 HydrophobicContact CE-CG 4.46Å; M133-F135 HydrophobicContact CE-CZ 3.32Å; M133-F135 WeakPolarHBondContact O-CD2 3.36Å; M133-F135 PolarHBondContact O-N 3.4Å; F135-R137 VanDerWaalsContact C-N 3.3Å
136H85Confident91.3Very high139 Ų13966.4 Ų66.464%0.64436%0.357SS*.THydrogen-bonded Turntrans74-2.6-173.3-44.487.9000116.7R134R134-H136 PolarHBondContact O-N 2.93Å
137R91.9Very high91.4Very high16 Ų1663 Ų636%0.0634%0.344CS..  trans-133.918.3-177.8-66.5-173.860.569.36.3113.1D44 R134 F135 L140 E142 N144D44-R137 VanDerWaalsContact CG-NE 3.31Å; D44-R137 WeakPolarHBondContact OD1-CB 3.49Å; D44-R137 VanDerWaalsContact OD1-CD 3.28Å; D44-R137 WeakPolarHBondContact OD1-CD 3.28Å; D44-R137 IonicContact OD1-NE 3.64Å; D44-R137 PolarHBondContact OD1-NE 3.22Å; D44-R137 IonicContact OD2-CZ 3.77Å; D44-R137 IonicContact OD2-NE 3.84Å; D44-R137 PolarHBondContact OD2-NE 2.95Å; D44-R137 IonicContact OD2-NH2 2.81Å; R134-R137 HydrophobicContact CB-CB 4.45Å; R134-R137 CarbonylContact O-C 3.59Å; R134-R137 WeakPolarHBondContact O-CA 3.36Å; R134-R137 PolarHBondContact O-N 3.44Å; F135-R137 VanDerWaalsContact C-N 3.3Å; R137-L140 HydrophobicContact CB-CD1 4.07Å; R137-L140 HydrophobicContact CG-CD1 4.18Å; R137-L140 WeakPolarHBondContact O-CB 3.31Å; R137-L140 PolarHBondContact O-N 3.01Å; R137-E142 IonicContact CZ-OE1 3.52Å; R137-E142 IonicContact NH1-OE1 3.67Å; R137-E142 PolarHBondContact NH2-O 3.36Å; R137-E142 IonicContact NH2-OE1 3.47Å; R137-E142 PolarHBondContact NH2-OE1 2.95Å; R137-N144 VanDerWaalsContact CZ-ND2 3.25Å; R137-N144 PolarHBondContact NH1-ND2 3.49Å; R137-N144 VanDerWaalsContact NH1-ND2 3.18Å; R137-N144 PolarHBondContact NH2-ND2 3.18Å
138E86.4Confident91.4Very high125 Ų12555.9 Ų55.958%0.58432%0.317SS*.THydrogen-bonded Turntrans-57.4139.4174.2-70.1165.9-150.600110.8R134 L140R134-E138 PolarHBondContact O-N 2.93Å; R134-E138 VanDerWaalsContact O-N 3.16Å; E138-L140 PolarHBondContact O-N 3.41Å
139G88.1Confident91.5Very high86 Ų8654.9 Ų54.989%0.88731%0.309SS*.THydrogen-bonded Turntrans77.3-10.5-179.300000116.1
140L91.8Very high91.5Very high68 Ų6854.9 Ų54.936%0.35631%0.309SS..  trans-77.7125176.8-63.5-179.8000111R134 R137 E138 E142R134-L140 PolarHBondContact NH1-O 2.93Å; R134-L140 PolarHBondContact NH2-O 2.61Å; R137-L140 HydrophobicContact CB-CD1 4.07Å; R137-L140 HydrophobicContact CG-CD1 4.18Å; R137-L140 WeakPolarHBondContact O-CB 3.31Å; R137-L140 PolarHBondContact O-N 3.01Å; E138-L140 PolarHBondContact O-N 3.41Å; L140-E142 VanDerWaalsContact C-N 3.29Å; L140-E142 PolarHBondContact O-N 3.27Å
141A91.8Very high91.6Very high85 Ų8549.7 Ų49.770%0.70229%0.286SS*.SBendtrans-70-26-178.300000113.2
142E95.6Very high91.8Very high35 Ų3548.1 Ų48.116%0.16426%0.262CS..SBendtrans-92.4144.3-178.486.4-67.5171.900113.3R134 R137 L140 R189 L197 Y199R134-E142 PolarHBondContact NH2-O 3.04Å; R137-E142 IonicContact CZ-OE1 3.52Å; R137-E142 IonicContact NH1-OE1 3.67Å; R137-E142 PolarHBondContact NH2-O 3.36Å; R137-E142 IonicContact NH2-OE1 3.47Å; R137-E142 PolarHBondContact NH2-OE1 2.95Å; L140-E142 VanDerWaalsContact C-N 3.29Å; L140-E142 PolarHBondContact O-N 3.27Å; E142-R189 IonicContact OE1-NH1 3.2Å; E142-L197 CarbonylContact C-O 3.57Å; E142-L197 VanDerWaalsContact CA-O 3.26Å; E142-L197 WeakPolarHBondContact CA-O 3.49Å; E142-L197 HydrophobicContact CB-CB 4.06Å; E142-L197 HydrophobicContact CB-CD2 3.87Å; E142-L197 HydrophobicContact CB-CG 3.87Å; E142-Y199 HydrophobicContact CB-CD2 4.25Å; E142-Y199 HydrophobicContact CB-CE2 4.1Å; E142-Y199 HydrophobicContact CG-CD2 4.03Å; E142-Y199 HydrophobicContact CG-CE2 4.03Å
143Y97Very high92.3Very high29 Ų2942.3 Ų42.311%0.11424%0.235CC..EExtended strand (participates in β ladder)trans-97.2133.9174.4-57.8-20.1000110.6D44 I129 E130 P196 L197 I198 Y199D44-Y143 WeakPolarHBondContact OD2-CA 3.28Å; I129-Y143 HydrophobicContact CD1-CD2 4.04Å; I129-Y143 HydrophobicContact CD1-CG 4.19Å; I129-Y143 HydrophobicContact CG2-CD1 3.9Å; I129-Y143 HydrophobicContact CG2-CD2 4.07Å; I129-Y143 HydrophobicContact CG2-CE1 4.02Å; I129-Y143 HydrophobicContact CG2-CE2 4.16Å; I129-Y143 HydrophobicContact CG2-CG 3.95Å; E130-Y143 HydrophobicContact CG-CE2 4.3Å; E130-Y143 WeakPolarHBondContact CG-OH 3.26Å; E130-Y143 WeakPolarHBondContact OE1-CE2 3.37Å; E130-Y143 PolarHBondContact OE1-OH 3.35Å; Y143-P196 HydrophobicContact CD2-CG 3.96Å; Y143-P196 HydrophobicContact CE2-CB 4.29Å; Y143-P196 HydrophobicContact CE2-CG 3.64Å; Y143-L197 PolarHBondContact N-O 3.03Å; Y143-I198 HydrophobicContact CD2-CD1 3.9Å; Y143-I198 HydrophobicContact CD2-CG1 3.99Å; Y143-I198 HydrophobicContact CG-CG1 4.46Å; Y143-I198 CarbonylContact O-C 3.41Å; Y143-I198 WeakPolarHBondContact O-CA 3.37Å; Y143-Y199 PolarHBondContact O-N 3.38Å
144N96.5Very high92.8Very high5 Ų537.8 Ų37.83%0.02722%0.216CC..EExtended strand (participates in β ladder)trans-113.8121.6175.5-82.6-10.6000109.5S42 D44 R137 R189 F201S42-N144 WeakPolarHBondContact O-CB 3.28Å; S42-N144 PolarHBondContact O-ND2 2.87Å; D44-N144 PolarHBondContact N-O 2.91Å; D44-N144 PolarHBondContact OD2-N 2.79Å; R137-N144 VanDerWaalsContact CZ-ND2 3.25Å; R137-N144 PolarHBondContact NH1-ND2 3.49Å; R137-N144 VanDerWaalsContact NH1-ND2 3.18Å; R137-N144 PolarHBondContact NH2-ND2 3.18Å; N144-R189 PolarHBondContact OD1-NH1 2.95Å; N144-F201 HydrophobicContact CB-CE2 3.93Å
145V97.1Very high93.1Very high0 Ų036.1 Ų36.10%021%0.21CC..EExtended strand (participates in β ladder)trans-118.2135-176.2179.90000109.1C45 V47 L125 I129 I198 Y199 M200 F201C45-V145 VanDerWaalsContact O-CA 3.32Å; C45-V145 WeakPolarHBondContact O-CA 3.38Å; V47-V145 HydrophobicContact CG2-CG1 3.72Å; L125-V145 HydrophobicContact CD1-CB 4.49Å; L125-V145 HydrophobicContact CD1-CG1 3.87Å; L125-V145 HydrophobicContact CD1-CG2 3.78Å; L125-V145 HydrophobicContact CD2-CG2 4.08Å; L125-V145 HydrophobicContact CG-CG2 4.25Å; I129-V145 HydrophobicContact CD1-CG2 3.87Å; V145-I198 HydrophobicContact CG2-CG2 3.99Å; V145-Y199 PolarHBondContact N-O 2.62Å; V145-M200 HydrophobicContact CB-CE 4.26Å; V145-M200 HydrophobicContact CB-CG 3.86Å; V145-M200 HydrophobicContact CG1-CE 3.9Å; V145-M200 HydrophobicContact CG1-CG 4.2Å; V145-M200 CarbonylContact O-C 3.45Å; V145-M200 VanDerWaalsContact O-CA 3.23Å; V145-M200 WeakPolarHBondContact O-CA 3.34Å; V145-F201 PolarHBondContact O-N 2.94Å
146M97Very high93.8Very high0 Ų031.6 Ų31.60%019%0.192CC..EExtended strand (participates in β ladder)trans-103.5126.8174.1-174.2175.1-76.500109.5M36 K39 V43 C45 I46 V47 V148 F201 T203M36-M146 HydrophobicContact CB-CE 4.38Å; M36-M146 HydrophobicContact CB-SD 3.82Å; M36-M146 HydrophobicContact CG-CE 4.5Å; M36-M146 HydrophobicContact CG-SD 3.86Å; M36-M146 HydrophobicContact SD-SD 4.43Å; K39-M146 HydrophobicContact CB-CE 3.63Å; V43-M146 HydrophobicContact CG1-CB 3.8Å; V43-M146 HydrophobicContact CG2-CB 3.87Å; V43-M146 HydrophobicContact CG2-CE 3.68Å; C45-M146 PolarHBondContact O-N 2.66Å; I46-M146 CarbonylContact C-O 3.38Å; I46-M146 WeakPolarHBondContact CA-O 3.18Å; I46-M146 HydrophobicContact CG1-CB 4.46Å; V47-M146 PolarHBondContact N-O 2.95Å; M146-V148 HydrophobicContact CG-CG1 3.93Å; M146-V148 HydrophobicContact SD-CG1 4.18Å; M146-F201 HydrophobicContact CB-CD2 4.49Å; M146-F201 HydrophobicContact CG-CB 4.43Å; M146-T203 HydrophobicContact CG-CG2 3.86Å; M146-T203 HydrophobicContact SD-CG2 4.4Å
147I96.5Very high94.2Very high0 Ų026.7 Ų26.70%017%0.173CC..EExtended strand (participates in β ladder)trans-92.6131.7171.4-54.7-171.5000108.7V47 V49 K155 L158 I159 M200 F201 T203V47-I147 WeakPolarHBondContact O-CA 3.32Å; V49-I147 HydrophobicContact CB-CG2 4.4Å; V49-I147 HydrophobicContact CG2-CG2 3.47Å; V49-I147 VanDerWaalsContact CG2-CG2 3.47Å; I147-K155 HydrophobicContact CG2-CB 3.8Å; I147-K155 HydrophobicContact CG2-CD 3.83Å; I147-K155 HydrophobicContact CG2-CG 3.63Å; I147-L158 HydrophobicContact CD1-CD2 3.73Å; I147-I159 HydrophobicContact CD1-CD1 3.71Å; I147-I159 HydrophobicContact CD1-CG1 3.27Å; I147-I159 HydrophobicContact CG1-CG1 4.43Å; I147-M200 HydrophobicContact CD1-CG 4.47Å; I147-M200 HydrophobicContact CD1-SD 3.74Å; I147-M200 HydrophobicContact CG1-CG 4.39Å; I147-M200 HydrophobicContact CG1-SD 4.16Å; I147-F201 PolarHBondContact N-O 3.19Å; I147-T203 WeakPolarHBondContact O-CB 3.41Å; I147-T203 WeakPolarHBondContact O-CG2 3.22Å; I147-T203 PolarHBondContact O-OG1 3.21Å
148V95.7Very high94.5Very high0 Ų026 Ų260%017%0.17CC..EExtended strand (participates in β ladder)trans-130165.8175.4-52.50000110.5M36 I46 V47 E48 V49 F63 L67 F68 M146M36-V148 HydrophobicContact SD-CB 4.38Å; M36-V148 HydrophobicContact SD-CG1 3.67Å; I46-V148 HydrophobicContact CG2-CG1 4.01Å; I46-V148 HydrophobicContact CG2-CG2 3.7Å; V47-V148 PolarHBondContact O-N 3.33Å; E48-V148 HydrophobicContact CB-CG2 4.12Å; E48-V148 HydrophobicContact CG-CG2 4.02Å; V49-V148 PolarHBondContact N-O 3.14Å; F63-V148 HydrophobicContact CD2-CG2 4.15Å; F63-V148 HydrophobicContact CE1-CB 4.39Å; F63-V148 HydrophobicContact CE2-CB 4.41Å; F63-V148 HydrophobicContact CE2-CG2 4.39Å; F63-V148 HydrophobicContact CG-CG2 4.29Å; F63-V148 HydrophobicContact CZ-CB 4.32Å; L67-V148 HydrophobicContact CD1-CB 4.47Å; L67-V148 HydrophobicContact CD1-CG1 3.87Å; F68-V148 HydrophobicContact CE1-CG2 3.85Å; F68-V148 HydrophobicContact CZ-CG2 4.11Å; M146-V148 HydrophobicContact CG-CG1 3.93Å; M146-V148 HydrophobicContact SD-CG1 4.18Å
149G95Very high94.9Very high1 Ų120 Ų201%0.0114%0.143CC..  trans148.9164.2-176.600000112.2V49 K155 G205 V206V49-G149 WeakPolarHBondContact O-CA 2.84Å; G149-K155 PolarHBondContact O-NZ 3.28Å; G149-G205 VanDerWaalsContact O-CA 3.28Å; G149-G205 WeakPolarHBondContact O-CA 3.49Å; G149-V206 PolarHBondContact O-N 3.39Å
150I93.5Very high95.3Very high2 Ų216.4 Ų16.41%0.0110%0.103CC..SBendtrans-70.2172178.769168.2000111.7G58 N60 V153 K155 L207 L225 C230G58-I150 WeakPolarHBondContact O-CD1 3.43Å; G58-I150 WeakPolarHBondContact O-CG2 3.36Å; N60-I150 HydrophobicContact CB-CG2 4.31Å; I150-V153 HydrophobicContact CD1-CG1 4.28Å; I150-V153 HydrophobicContact CG1-CG1 3.41Å; I150-V153 VanDerWaalsContact CG1-CG1 3.41Å; I150-V153 VanDerWaalsContact O-CG2 3.26Å; I150-V153 WeakPolarHBondContact O-CG2 3.48Å; I150-K155 PolarHBondContact O-NZ 3.44Å; I150-L207 HydrophobicContact CB-CD2 3.83Å; I150-L207 HydrophobicContact CD1-CD2 4.19Å; I150-L207 HydrophobicContact CG2-CD2 3.89Å; I150-L225 HydrophobicContact CD1-CD2 3.48Å; I150-L225 VanDerWaalsContact CD1-CD2 3.48Å; I150-C230 HydrophobicContact CD1-CB 3.89Å; I150-C230 WeakPolarHBondContact CD1-SG 3.49Å
151P93.5Very high95.5Very high4 Ų413.4 Ų13.43%0.0269%0.088CC..THydrogen-bonded Turntrans-58.6150.2177.2-24.435000113.5W24 M29 V153 P180 L207 C230W24-P151 HydrophobicContact CH2-CG 4.17Å; W24-P151 HydrophobicContact CZ3-CG 4.18Å; M29-P151 HydrophobicContact CE-CG 3.46Å; M29-P151 VanDerWaalsContact CE-CG 3.46Å; P151-V153 PolarHBondContact O-N 2.85Å; P151-P180 HydrophobicContact CB-CB 3.88Å; P151-P180 HydrophobicContact CB-CG 4.47Å; P151-L207 HydrophobicContact CG-CG 4.34Å; P151-C230 PolarHBondContact O-SG 2.95Å
152N94Very high95.7Very high31 Ų319.4 Ų9.417%0.1666%0.055CC..THydrogen-bonded Turntrans55.917174.5-157.247.2000118K79 G154 R178 E229K79-N152 VanDerWaalsContact CE-O 3.28Å; K79-N152 WeakPolarHBondContact CE-O 3.44Å; K79-N152 PolarHBondContact NZ-O 3.12Å; N152-G154 PolarHBondContact O-N 2.94Å; N152-R178 PolarHBondContact OD1-O 3.43Å; N152-E229 HydrophobicContact CB-CB 4.49Å; N152-E229 WeakPolarHBondContact CB-O 3.41Å; N152-E229 WeakPolarHBondContact ND2-CB 3.47Å; N152-E229 PolarHBondContact ND2-OE2 3.34Å
153V96Very high95.7Very high0 Ų09.5 Ų9.50%05%0.054CC..SBendtrans-74.1-9.1170.1-60.50000113.7V49 D51 N78 I150 P151 K155V49-V153 HydrophobicContact CB-CG2 4Å; V49-V153 HydrophobicContact CG1-CB 4.1Å; V49-V153 HydrophobicContact CG1-CG2 3.79Å; V49-V153 VanDerWaalsContact O-CG2 3.28Å; V49-V153 WeakPolarHBondContact O-CG2 3.45Å; D51-V153 HydrophobicContact CB-CG1 4.49Å; N78-V153 PolarHBondContact ND2-O 3.49Å; I150-V153 HydrophobicContact CD1-CG1 4.28Å; I150-V153 HydrophobicContact CG1-CG1 3.41Å; I150-V153 VanDerWaalsContact CG1-CG1 3.41Å; I150-V153 VanDerWaalsContact O-CG2 3.26Å; I150-V153 WeakPolarHBondContact O-CG2 3.48Å; P151-V153 PolarHBondContact O-N 2.85Å; V153-K155 HydrophobicContact CG2-CD 4.43Å; V153-K155 HydrophobicContact CG2-CG 3.75Å
154G95.3Very high95.6Very high13 Ų1312.9 Ų12.913%0.1347%0.071CC..  trans95.824.9175.600000116.5N152 S156 S157 L158N152-G154 PolarHBondContact O-N 2.94Å; G154-S156 PolarHBondContact O-N 2.93Å; G154-S157 WeakPolarHBondContact O-CB 3.41Å; G154-S157 PolarHBondContact O-N 3.28Å; G154-L158 PolarHBondContact O-N 2.69Å
155K96.2Very high95.5Very high11 Ų1114.7 Ų14.75%0.0488%0.083CC..Hα-helixtrans-50.8-56.1177-62.2-172-66.7-69.80113.7V49 I147 G149 I150 V153 S157 L158 I159 T203 G205V49-K155 HydrophobicContact CB-CG 4.11Å; V49-K155 HydrophobicContact CG2-CG 4.39Å; I147-K155 HydrophobicContact CG2-CB 3.8Å; I147-K155 HydrophobicContact CG2-CD 3.83Å; I147-K155 HydrophobicContact CG2-CG 3.63Å; G149-K155 PolarHBondContact O-NZ 3.28Å; I150-K155 PolarHBondContact O-NZ 3.44Å; V153-K155 HydrophobicContact CG2-CD 4.43Å; V153-K155 HydrophobicContact CG2-CG 3.75Å; K155-S157 VanDerWaalsContact C-N 3.31Å; K155-S157 PolarHBondContact O-N 2.63Å; K155-L158 VanDerWaalsContact O-CB 3.31Å; K155-L158 WeakPolarHBondContact O-CB 3.19Å; K155-L158 PolarHBondContact O-N 3.39Å; K155-I159 PolarHBondContact O-N 3.45Å; K155-I159 VanDerWaalsContact O-N 3.15Å; K155-T203 WeakPolarHBondContact CE-O 3.35Å; K155-G205 VanDerWaalsContact NZ-CA 3.3Å
156S95.2Very high95.4Very high13 Ų1316.4 Ų16.49%0.0919%0.091CC..Hα-helixtrans-65.4-33.5-179.6-49.60000112.9G154 I159 N160 T183 D202G154-S156 PolarHBondContact O-N 2.93Å; S156-I159 PolarHBondContact O-N 3.48Å; S156-N160 PolarHBondContact O-N 3.01Å; S156-N160 VanDerWaalsContact O-N 3.15Å; S156-T183 PolarHBondContact OG-OG1 3.05Å; S156-D202 WeakPolarHBondContact CB-OD2 3.45Å; S156-D202 PolarHBondContact OG-OD1 3.28Å; S156-D202 PolarHBondContact OG-OD2 3.1Å
157S95.2Very high95.4Very high37 Ų3716.9 Ų16.926%0.2599%0.093SC..Hα-helixtrans-66.2-39.9174.2-57.80000112G154 K155 N160 A161 V176G154-S157 WeakPolarHBondContact O-CB 3.41Å; G154-S157 PolarHBondContact O-N 3.28Å; K155-S157 VanDerWaalsContact C-N 3.31Å; K155-S157 PolarHBondContact O-N 2.63Å; S157-N160 PolarHBondContact O-N 3.4Å; S157-A161 WeakPolarHBondContact O-CB 3.31Å; S157-A161 PolarHBondContact O-N 2.97Å; S157-V176 WeakPolarHBondContact OG-CG1 3.39Å
158L96.7Very high95.1Very high0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-58.7-48.7174.4-174.7158.8000110.6V49 F76 F109 L121 I147 G154 K155 N160 A161 L162 M200V49-L158 HydrophobicContact CG2-CD1 3.82Å; F76-L158 HydrophobicContact CD1-CD1 3.61Å; F76-L158 HydrophobicContact CE1-CD1 3.88Å; F76-L158 HydrophobicContact CG-CD1 4.2Å; F109-L158 HydrophobicContact CD2-CB 4.23Å; F109-L158 HydrophobicContact CE2-CB 3.6Å; F109-L158 HydrophobicContact CE2-CD1 3.76Å; F109-L158 HydrophobicContact CE2-CG 3.48Å; F109-L158 VanDerWaalsContact CE2-CG 3.48Å; F109-L158 HydrophobicContact CZ-CB 4.07Å; F109-L158 HydrophobicContact CZ-CD1 3.92Å; F109-L158 HydrophobicContact CZ-CG 3.49Å; F109-L158 VanDerWaalsContact CZ-CG 3.49Å; L121-L158 HydrophobicContact CD2-CD1 3.78Å; L121-L158 HydrophobicContact CD2-CD2 3.9Å; L121-L158 HydrophobicContact CD2-CG 4.04Å; I147-L158 HydrophobicContact CD1-CD2 3.73Å; G154-L158 PolarHBondContact O-N 2.69Å; K155-L158 VanDerWaalsContact O-CB 3.31Å; K155-L158 WeakPolarHBondContact O-CB 3.19Å; K155-L158 PolarHBondContact O-N 3.39Å; L158-N160 PolarHBondContact O-N 3.09Å; L158-A161 PolarHBondContact O-N 3.42Å; L158-L162 HydrophobicContact CD2-CD1 3.48Å; L158-L162 VanDerWaalsContact CD2-CD1 3.48Å; L158-L162 HydrophobicContact CD2-CG 4Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.8Å; L158-M200 HydrophobicContact CD2-CE 4.45Å; L158-M200 HydrophobicContact CD2-SD 4.2Å
159I96.2Very high94.8Very high0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-58.3-50179.7-65.3173.5000111I147 K155 S156 A161 L162 R163 V190 I192 M200 D202I147-I159 HydrophobicContact CD1-CD1 3.71Å; I147-I159 HydrophobicContact CD1-CG1 3.27Å; I147-I159 HydrophobicContact CG1-CG1 4.43Å; K155-I159 PolarHBondContact O-N 3.45Å; K155-I159 VanDerWaalsContact O-N 3.15Å; S156-I159 PolarHBondContact O-N 3.48Å; I159-A161 VanDerWaalsContact C-N 3.32Å; I159-A161 PolarHBondContact O-N 3.28Å; I159-L162 PolarHBondContact O-N 3.17Å; I159-R163 VanDerWaalsContact O-CB 3.3Å; I159-R163 WeakPolarHBondContact O-CB 3.34Å; I159-R163 PolarHBondContact O-N 3.25Å; I159-V190 HydrophobicContact CG2-CB 3.95Å; I159-V190 HydrophobicContact CG2-CG1 3.61Å; I159-V190 HydrophobicContact CG2-CG2 4.44Å; I159-I192 HydrophobicContact CG2-CG2 3.82Å; I159-M200 HydrophobicContact CD1-CB 4.3Å; I159-M200 HydrophobicContact CG1-CB 4.19Å; I159-M200 HydrophobicContact CG1-SD 4.22Å; I159-D202 HydrophobicContact CD1-CB 3.37Å
160N95.5Very high93.9Very high10 Ų1033.4 Ų33.45%0.05318%0.181CC..Hα-helixtrans-61.7-40.6179.2-73.3-20.5000111.6S156 S157 L158 R163 E164 N172 A173 C174S156-N160 PolarHBondContact O-N 3.01Å; S156-N160 VanDerWaalsContact O-N 3.15Å; S157-N160 PolarHBondContact O-N 3.4Å; L158-N160 PolarHBondContact O-N 3.09Å; N160-R163 PolarHBondContact O-N 3.07Å; N160-E164 WeakPolarHBondContact O-CB 3.48Å; N160-E164 PolarHBondContact O-N 3.02Å; N160-N172 WeakPolarHBondContact CB-OD1 3.45Å; N160-N172 PolarHBondContact ND2-OD1 2.95Å; N160-A173 PolarHBondContact OD1-N 3.21Å; N160-C174 PolarHBondContact ND2-O 3.43Å; N160-C174 PolarHBondContact OD1-N 2.86Å
161A95.6Very high93.5Very high6 Ų638.2 Ų38.25%0.0521%0.211CC..Hα-helixtrans-65-43.8178.300000112.7F109 S157 L158 I159 E164 C165F109-A161 HydrophobicContact CB-CB 3.99Å; F109-A161 HydrophobicContact CD1-CB 3.37Å; F109-A161 HydrophobicContact CE1-CB 4.02Å; F109-A161 HydrophobicContact CG-CB 3.77Å; S157-A161 WeakPolarHBondContact O-CB 3.31Å; S157-A161 PolarHBondContact O-N 2.97Å; L158-A161 PolarHBondContact O-N 3.42Å; I159-A161 VanDerWaalsContact C-N 3.32Å; I159-A161 PolarHBondContact O-N 3.28Å; A161-E164 PolarHBondContact O-N 3.48Å; A161-C165 WeakPolarHBondContact O-CB 3.17Å; A161-C165 PolarHBondContact O-N 2.88Å; A161-C165 PolarHBondContact O-SG 3.43Å; A161-C165 VanDerWaalsContact O-SG 3.39Å
162L96.7Very high93.2Very high0 Ų043.5 Ų43.50%024%0.239CC..Hα-helixtrans-64.7-44.8175.3-69.3-176.1000111.6C118 L121 M122 L158 I159 E164 C165 F166 I192 M200C118-L162 HydrophobicContact CB-CD2 3.89Å; L121-L162 HydrophobicContact CD2-CD1 4.09Å; L121-L162 HydrophobicContact CD2-CD2 4.48Å; M122-L162 HydrophobicContact CG-CD2 4Å; M122-L162 HydrophobicContact SD-CD1 4.34Å; M122-L162 HydrophobicContact SD-CD2 4.41Å; L158-L162 HydrophobicContact CD2-CD1 3.48Å; L158-L162 VanDerWaalsContact CD2-CD1 3.48Å; L158-L162 HydrophobicContact CD2-CG 4Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.8Å; I159-L162 PolarHBondContact O-N 3.17Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.26Å; L162-C165 PolarHBondContact O-N 3.2Å; L162-C165 VanDerWaalsContact O-N 3.11Å; L162-F166 HydrophobicContact CD2-CD2 4.26Å; L162-F166 HydrophobicContact CD2-CE2 3.89Å; L162-F166 VanDerWaalsContact O-CD2 3.28Å; L162-F166 WeakPolarHBondContact O-CD2 3.47Å; L162-F166 PolarHBondContact O-N 2.77Å; L162-I192 HydrophobicContact CB-CB 4.25Å; L162-I192 HydrophobicContact CB-CD1 4.27Å; L162-I192 HydrophobicContact CD1-CD1 3.91Å; L162-M200 HydrophobicContact CD1-CE 3.54Å; L162-M200 HydrophobicContact CD1-SD 3.82Å
163R95.3Very high92.9Very high37 Ų3744.5 Ų44.514%0.1425%0.251CS..Hα-helixtrans-56.7-47176.5177.5-179.517685.2-3.1111.8I159 N160 C165 F166 T167 L169 V171 R191 I192I159-R163 VanDerWaalsContact O-CB 3.3Å; I159-R163 WeakPolarHBondContact O-CB 3.34Å; I159-R163 PolarHBondContact O-N 3.25Å; N160-R163 PolarHBondContact O-N 3.07Å; R163-C165 VanDerWaalsContact C-N 3.3Å; R163-C165 PolarHBondContact O-N 2.79Å; R163-F166 PolarHBondContact O-N 2.79Å; R163-T167 WeakPolarHBondContact O-CB 3.46Å; R163-T167 PolarHBondContact O-N 2.71Å; R163-T167 PolarHBondContact O-OG1 3.47Å; R163-L169 HydrophobicContact CG-CB 4.49Å; R163-L169 VanDerWaalsContact NH2-CB 3.3Å; R163-V171 PolarHBondContact NE-O 2.95Å; R163-V171 VanDerWaalsContact NE-O 3.1Å; R163-R191 PolarHBondContact NH1-O 3.3Å; R163-I192 HydrophobicContact CB-CG2 4.42Å
164E94.3Very high92.6Very high100 Ų10045 Ų4547%0.46726%0.255SS..Hα-helixtrans-63.3-35.3176.9-173.2-169.7137.200112.3K114 N160 A161 L162K114-E164 IonicContact NZ-OE1 2.73Å; K114-E164 PolarHBondContact NZ-OE1 3.49Å; K114-E164 IonicContact NZ-OE2 3.3Å; K114-E164 PolarHBondContact NZ-OE2 3.25Å; N160-E164 WeakPolarHBondContact O-CB 3.48Å; N160-E164 PolarHBondContact O-N 3.02Å; A161-E164 PolarHBondContact O-N 3.48Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.26Å
165C94.5Very high92.2Very high43 Ų4353.9 Ų53.929%0.29128%0.284SS..Hα-helixtrans-79.8-26.3-179.3-750000114.7C118 A161 L162 R163C118-C165 HydrophobicContact CB-CB 4.03Å; A161-C165 WeakPolarHBondContact O-CB 3.17Å; A161-C165 PolarHBondContact O-N 2.88Å; A161-C165 PolarHBondContact O-SG 3.43Å; A161-C165 VanDerWaalsContact O-SG 3.39Å; L162-C165 PolarHBondContact O-N 3.2Å; L162-C165 VanDerWaalsContact O-N 3.11Å; R163-C165 VanDerWaalsContact C-N 3.3Å; R163-C165 PolarHBondContact O-N 2.79Å
166F96.4Very high91.8Very high37 Ų3756.9 Ų56.916%0.16230%0.303CS..Hα-helixtrans-128.311.1-169-59.8-74.6000114.9C118 F119 M122 L162 R163 I192 S193 D194C118-F166 HydrophobicContact CB-CE2 3.76Å; C118-F166 HydrophobicContact CB-CZ 4.21Å; F119-F166 HydrophobicContact CD1-CE1 4.03Å; F119-F166 HydrophobicContact CD1-CZ 4.13Å; F119-F166 HydrophobicContact CD2-CZ 4.24Å; F119-F166 AromaticContact CE1-CE1 3.76Å; F119-F166 HydrophobicContact CE1-CE1 3.76Å; F119-F166 HydrophobicContact CE1-CZ 4.25Å; F119-F166 HydrophobicContact CE2-CE1 4.34Å; F119-F166 HydrophobicContact CE2-CZ 4.32Å; F119-F166 HydrophobicContact CG-CE1 4.45Å; F119-F166 HydrophobicContact CG-CZ 4.13Å; F119-F166 AromaticContact CZ-CE1 3.92Å; F119-F166 HydrophobicContact CZ-CE1 3.92Å; F119-F166 HydrophobicContact CZ-CZ 4.34Å; M122-F166 HydrophobicContact CB-CE2 4.15Å; M122-F166 HydrophobicContact CB-CZ 3.98Å; M122-F166 HydrophobicContact CE-CD2 4.45Å; M122-F166 HydrophobicContact CG-CD2 3.71Å; M122-F166 HydrophobicContact CG-CE1 4.28Å; M122-F166 HydrophobicContact CG-CE2 3.2Å; M122-F166 HydrophobicContact CG-CG 4.45Å; M122-F166 HydrophobicContact CG-CZ 3.53Å; M122-F166 HydrophobicContact SD-CD2 4.32Å; M122-F166 HydrophobicContact SD-CE2 4.36Å; L162-F166 HydrophobicContact CD2-CD2 4.26Å; L162-F166 HydrophobicContact CD2-CE2 3.89Å; L162-F166 VanDerWaalsContact O-CD2 3.28Å; L162-F166 WeakPolarHBondContact O-CD2 3.47Å; L162-F166 PolarHBondContact O-N 2.77Å; R163-F166 PolarHBondContact O-N 2.79Å; F166-I192 WeakPolarHBondContact CB-O 3.28Å; F166-S193 WeakPolarHBondContact O-CA 3.34Å; F166-D194 PolarHBondContact O-N 2.88Å
167T95.7Very high91.3Very high9 Ų957.8 Ų57.86%0.05532%0.315CS..SBendtrans-140.3158.417174.20000109.8R163 L169 I192 D194R163-T167 WeakPolarHBondContact O-CB 3.46Å; R163-T167 PolarHBondContact O-N 2.71Å; R163-T167 PolarHBondContact O-OG1 3.47Å; T167-L169 HydrophobicContact CG2-CD1 4.22Å; T167-L169 PolarHBondContact O-N 3.1Å; T167-L169 WeakPolarHBondContact OG1-CB 3.41Å; T167-L169 PolarHBondContact OG1-N 2.76Å; T167-I192 VanDerWaalsContact CG2-C 3.48Å; T167-D194 WeakPolarHBondContact CA-OD2 3.28Å; T167-D194 WeakPolarHBondContact CB-OD2 3.32Å
168D90.9Very high90.7Very high149 Ų14962.4 Ų62.480%0.79733%0.327SS*.SBendtrans-79.511.2173.5-58.2-43.1000113.2N170D168-N170 PolarHBondContact O-N 3.29Å
169L88.7Confident90.1Very high49 Ų4970.6 Ų70.626%0.25736%0.362SS..  trans-88.892.1-172.9-56.6159000109.8R163 T167 V171 R191R163-L169 HydrophobicContact CG-CB 4.49Å; R163-L169 VanDerWaalsContact NH2-CB 3.3Å; T167-L169 HydrophobicContact CG2-CD1 4.22Å; T167-L169 PolarHBondContact O-N 3.1Å; T167-L169 WeakPolarHBondContact OG1-CB 3.41Å; T167-L169 PolarHBondContact OG1-N 2.76Å; L169-V171 PolarHBondContact O-N 3.22Å; L169-R191 VanDerWaalsContact CD1-NH2 3.27Å
170N76.7Confident89.2Confident150 Ų15071.9 Ų71.980%0.80237%0.371SS*.  trans-75.131.2-178.1-66.2-33000114.8D168D168-N170 PolarHBondContact O-N 3.29Å
171V85.5Confident88.6Confident104 Ų10472.3 Ų72.363%0.6338%0.377SS*.SBendtrans-129.1129.7-179.7-176.70000110.3R163 L169 A173R163-V171 PolarHBondContact NE-O 2.95Å; R163-V171 VanDerWaalsContact NE-O 3.1Å; L169-V171 PolarHBondContact O-N 3.22Å; V171-A173 PolarHBondContact O-N 3.02Å
172N87.1Confident87.8Confident115 Ų11574.7 Ų74.762%0.61539%0.389SS*.  trans-59.5120.6170.8-75-34.3000110.1N160N160-N172 WeakPolarHBondContact CB-OD1 3.45Å; N160-N172 PolarHBondContact ND2-OD1 2.95Å
173A88Confident87.1Confident51 Ų5175.7 Ų75.742%0.42140%0.395SS..  trans-85.3-32.917800000111.9N160 V171 V190N160-A173 PolarHBondContact OD1-N 3.21Å; V171-A173 PolarHBondContact O-N 3.02Å; A173-V190 HydrophobicContact CB-CB 4.43Å; A173-V190 HydrophobicContact CB-CG1 3.45Å; A173-V190 VanDerWaalsContact CB-CG1 3.45Å; A173-V190 HydrophobicContact CB-CG2 4.08Å
174C88.1Confident86.2Confident11 Ų1182.8 Ų82.87%0.07442%0.421CS..SBendtrans-105.6139.9-177.9-58.50000111.3N160N160-C174 PolarHBondContact ND2-O 3.43Å; N160-C174 PolarHBondContact OD1-N 2.86Å
175R88.6Confident85.3Confident200 Ų20080.7 Ų80.776%0.75542%0.418SS*.  trans-73.6133.9170.5-174.3178.7177.8174.72.1109.9I182R175-I182 HydrophobicContact CB-CG2 4.12Å; R175-I182 HydrophobicContact CG-CG2 3.82Å
176V86.3Confident84.4Confident73 Ų7379.5 Ų79.544%0.44241%0.409SS..  trans-119.4144.8179.6-179.40000109.8S157S157-V176 WeakPolarHBondContact OG-CG1 3.39Å
177G85.5Confident83.5Confident33 Ų3379.9 Ų79.934%0.3442%0.415SS..  trans-167.3164.3173.100000111.4
178R82.6Confident82.9Confident134 Ų13484.2 Ų84.251%0.50645%0.446SS..SBendtrans-81.3-26-177.8-66.2-176.2-174.3161.80.6114.2N152N152-R178 PolarHBondContact OD1-O 3.43Å
179K84.6Confident82.9Confident171 Ų17182.1 Ų82.174%0.74343%0.427SS*.SBendtrans-71.4139179.4-69.4-172.1175.3-172.50110.3I182K179-I182 WeakPolarHBondContact O-CG1 3.31Å
180P77.4Confident83.2Confident28 Ų2880.5 Ų80.518%0.18242%0.418CS..THydrogen-bonded Turntrans-56.4147.8168.2-25.934.8000112.5W24 P151 P232W24-P180 HydrophobicContact CH2-CB 3.57Å; W24-P180 HydrophobicContact CH2-CG 4.42Å; W24-P180 HydrophobicContact CZ2-CB 3.98Å; P151-P180 HydrophobicContact CB-CB 3.88Å; P151-P180 HydrophobicContact CB-CG 4.47Å; P180-P232 HydrophobicContact CG-CG 4.45Å
181G81.9Confident84.1Confident19 Ų1977.3 Ų77.320%0.19640%0.395CS..THydrogen-bonded Turntrans83.320173.100000116.7R184G181-R184 WeakPolarHBondContact O-CG 3.5Å; G181-R184 PolarHBondContact O-NE 3.21Å
182I79.8Confident84.7Confident56 Ų5672.3 Ų72.329%0.28737%0.365SS..SBendtrans-62.2-51.2171.3-63.6-62.2000111R175 K179 R184R175-I182 HydrophobicContact CB-CG2 4.12Å; R175-I182 HydrophobicContact CG-CG2 3.82Å; K179-I182 WeakPolarHBondContact O-CG1 3.31Å; I182-R184 PolarHBondContact O-N 2.83Å
183T80.4Confident85.2Confident21 Ų2167 Ų6713%0.12934%0.336CS..  trans-83.9105.6173.4-51.20000108.7S156 S185 D202 P204S156-T183 PolarHBondContact OG-OG1 3.05Å; T183-S185 WeakPolarHBondContact CG2-O 3.28Å; T183-D202 PolarHBondContact OG1-OD2 3.34Å; T183-P204 WeakPolarHBondContact O-CA 3.17Å; T183-P204 VanDerWaalsContact O-CB 3.28Å; T183-P204 WeakPolarHBondContact O-CB 3.47Å
184R77.4Confident85.5Confident185 Ų18567.1 Ų67.170%0.69833%0.33SS*.  trans-98.2-15.5-175.7-64.9-176.6179179.5-1.5114.2G181 I182G181-R184 WeakPolarHBondContact O-CG 3.5Å; G181-R184 PolarHBondContact O-NE 3.21Å; I182-R184 PolarHBondContact O-N 2.83Å
185S75.9Confident85.8Confident56 Ų5677.1 Ų77.139%0.39237%0.366SS..SBendtrans-138.5155.6177.357.10000110.4T183 T187T183-S185 WeakPolarHBondContact CG2-O 3.28Å; S185-T187 PolarHBondContact O-N 3.05Å
186V74.9Confident86.1Confident18 Ų1869.2 Ų69.211%0.10934%0.341CS..PPolyproline II helixtrans-65.4117.3166.6-178.70000107K35 M36 K39 F201 D202 T203K35-V186 HydrophobicContact CB-CB 4.42Å; K35-V186 HydrophobicContact CB-CG2 3.78Å; M36-V186 HydrophobicContact CG-CG2 4.12Å; K39-V186 HydrophobicContact CD-CG1 3.89Å; V186-F201 HydrophobicContact CG1-CB 4.44Å; V186-D202 WeakPolarHBondContact CA-O 3.47Å; V186-T203 HydrophobicContact CG1-CG2 4.28Å; V186-T203 HydrophobicContact CG2-CG2 4.21Å
187T77.1Confident86.5Confident46 Ų4668.5 Ų68.528%0.28234%0.335SS..PPolyproline II helixtrans-77.7168.9-175.256.80000111.3S185 D202S185-T187 PolarHBondContact O-N 3.05Å; T187-D202 PolarHBondContact N-O 2.61Å; T187-D202 WeakPolarHBondContact OG1-CB 3.15Å; T187-D202 PolarHBondContact OG1-O 3.38Å
188S83Confident87.1Confident100 Ų10067 Ų6770%0.69932%0.318SS*.PPolyproline II helixtrans-56.6151.2163.852.30000110.1V190S188-V190 PolarHBondContact O-N 2.76Å
189R92.1Very high87.9Confident105 Ų10562.5 Ų62.540%0.39630%0.302SS..PPolyproline II helixtrans-58.8131.1177.871.7179.3175.7174.2-4.9110.5E142 N144 Y199 F201E142-R189 IonicContact OE1-NH1 3.2Å; N144-R189 PolarHBondContact OD1-NH1 2.95Å; R189-Y199 HydrophobicContact CB-CD1 4.28Å; R189-Y199 HydrophobicContact CB-CG 4.33Å; R189-Y199 HydrophobicContact CG-CD1 3.67Å; R189-Y199 HydrophobicContact CG-CE1 4.34Å; R189-Y199 HydrophobicContact CG-CG 3.93Å; R189-F201 HydrophobicContact CB-CD1 3.95Å; R189-F201 HydrophobicContact CB-CE1 3.65Å; R189-F201 HydrophobicContact CB-CZ 4.14Å
190V94.9Very high88.5Confident14 Ų1454.4 Ų54.49%0.08527%0.267CS..EExtended strand (participates in β ladder)trans-99.9126.2179.6174.10000108.8I159 A173 S188 I192 Y199 M200I159-V190 HydrophobicContact CG2-CB 3.95Å; I159-V190 HydrophobicContact CG2-CG1 3.61Å; I159-V190 HydrophobicContact CG2-CG2 4.44Å; A173-V190 HydrophobicContact CB-CB 4.43Å; A173-V190 HydrophobicContact CB-CG1 3.45Å; A173-V190 VanDerWaalsContact CB-CG1 3.45Å; A173-V190 HydrophobicContact CB-CG2 4.08Å; S188-V190 PolarHBondContact O-N 2.76Å; V190-I192 HydrophobicContact CG1-CG2 4.35Å; V190-I192 PolarHBondContact O-N 3.09Å; V190-Y199 CarbonylContact O-C 3.58Å; V190-Y199 WeakPolarHBondContact O-CA 3.4Å; V190-M200 PolarHBondContact N-O 3.1Å; V190-M200 PolarHBondContact O-N 3.3Å
191R95.7Very high89.4Confident83 Ų8353.4 Ų53.431%0.31326%0.259SS..EExtended strand (participates in β ladder)trans-67.8123.5173.8-168.8172.877.4-173.310.5109.5R163 L169 D194 L197 Y199R163-R191 PolarHBondContact NH1-O 3.3Å; L169-R191 VanDerWaalsContact CD1-NH2 3.27Å; R191-D194 VanDerWaalsContact CD-OD1 3.25Å; R191-D194 WeakPolarHBondContact CD-OD1 3.05Å; R191-D194 IonicContact CZ-OD1 3.22Å; R191-D194 IonicContact NE-OD1 3.72Å; R191-D194 PolarHBondContact NE-OD1 2.99Å; R191-D194 IonicContact NH1-OD1 3.57Å; R191-D194 IonicContact NH2-OD1 3.01Å; R191-D194 PolarHBondContact NH2-OD1 3.5Å; R191-D194 IonicContact NH2-OD2 2.83Å; R191-L197 HydrophobicContact CG-CD1 3.93Å; R191-Y199 HydrophobicContact CB-CD1 3.89Å; R191-Y199 HydrophobicContact CB-CE1 3.67Å; R191-Y199 HydrophobicContact CG-CD1 4.47Å; R191-Y199 HydrophobicContact CG-CE1 4.1Å
192I96.7Very high89.9Confident0 Ų052.6 Ų52.60%025%0.251CS..EExtended strand (participates in β ladder)trans-118.3-15.3-179.761.4131.7000113.7M122 I159 L162 R163 F166 T167 V190 I198 M200M122-I192 HydrophobicContact SD-CD1 3.93Å; I159-I192 HydrophobicContact CG2-CG2 3.82Å; L162-I192 HydrophobicContact CB-CB 4.25Å; L162-I192 HydrophobicContact CB-CD1 4.27Å; L162-I192 HydrophobicContact CD1-CD1 3.91Å; R163-I192 HydrophobicContact CB-CG2 4.42Å; F166-I192 WeakPolarHBondContact CB-O 3.28Å; T167-I192 VanDerWaalsContact CG2-C 3.48Å; V190-I192 HydrophobicContact CG1-CG2 4.35Å; V190-I192 PolarHBondContact O-N 3.09Å; I192-I198 HydrophobicContact CD1-CB 4.1Å; I192-I198 HydrophobicContact CD1-CG2 3.72Å; I192-I198 HydrophobicContact CG1-CB 3.94Å; I192-I198 HydrophobicContact CG1-CG2 3.79Å; I192-I198 WeakPolarHBondContact CG1-O 3.41Å; I192-I198 PolarHBondContact N-O 3.26Å; I192-M200 HydrophobicContact CD1-CE 3.54Å; I192-M200 HydrophobicContact CD1-CG 4.01Å; I192-M200 HydrophobicContact CD1-SD 3.62Å; I192-M200 HydrophobicContact CG1-CG 4.02Å; I192-M200 HydrophobicContact CG1-SD 4.09Å; I192-M200 HydrophobicContact CG2-CB 4.04Å; I192-M200 HydrophobicContact CG2-CG 4.18Å; I192-M200 HydrophobicContact CG2-SD 3.99Å
193S97.5Very high90.5Very high2 Ų249.9 Ų49.91%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-151.5142.2175.7-168.90000110.4F166 P196 L197 I198F166-S193 WeakPolarHBondContact O-CA 3.34Å; S193-P196 CarbonylContact C-O 3.42Å; S193-P196 PolarHBondContact OG-O 3.27Å; S193-L197 WeakPolarHBondContact O-CA 3.46Å; S193-I198 PolarHBondContact N-O 3.14Å; S193-I198 PolarHBondContact O-N 3.12Å
194D95.4Very high91Very high55 Ų5549 Ų4929%0.29423%0.231SC..EExtended strand (participates in β ladder)trans-94.6-22177.7-66.5-44.5000113.2F166 T167 R191 P196F166-D194 PolarHBondContact O-N 2.88Å; T167-D194 WeakPolarHBondContact CA-OD2 3.28Å; T167-D194 WeakPolarHBondContact CB-OD2 3.32Å; R191-D194 VanDerWaalsContact CD-OD1 3.25Å; R191-D194 WeakPolarHBondContact CD-OD1 3.05Å; R191-D194 IonicContact CZ-OD1 3.22Å; R191-D194 IonicContact NE-OD1 3.72Å; R191-D194 PolarHBondContact NE-OD1 2.99Å; R191-D194 IonicContact NH1-OD1 3.57Å; R191-D194 IonicContact NH2-OD1 3.01Å; R191-D194 PolarHBondContact NH2-OD1 3.5Å; R191-D194 IonicContact NH2-OD2 2.83Å; D194-P196 CarbonylContact C-O 3.55Å
195R93.3Very high91.7Very high220 Ų22040.6 Ų40.683%0.8320%0.203SC*.THydrogen-bonded Turntrans-139.599.1-179.4-65.5-173.2-172.6168.13.5112.4R126R126-R195 PolarHBondContact NH2-O 3.43Å
196P94.7Very high92.4Very high35 Ų3538 Ų3823%0.22719%0.185CC..THydrogen-bonded Turncis-70.1170-7.533-32.2000110.4Y143 S193 D194 I198Y143-P196 HydrophobicContact CD2-CG 3.96Å; Y143-P196 HydrophobicContact CE2-CB 4.29Å; Y143-P196 HydrophobicContact CE2-CG 3.64Å; S193-P196 CarbonylContact C-O 3.42Å; S193-P196 PolarHBondContact OG-O 3.27Å; D194-P196 CarbonylContact C-O 3.55Å; P196-I198 HydrophobicContact CG-CD1 4.16Å; P196-I198 HydrophobicContact CG-CG1 4.07Å; P196-I198 WeakPolarHBondContact O-CG1 3.28Å; P196-I198 PolarHBondContact O-N 2.87Å; P196-I198 VanDerWaalsContact O-N 3.13Å
197L96.6Very high93Very high58 Ų5837.2 Ų37.230%0.30418%0.179SC..EExtended strand (participates in β ladder)trans-69.6110.1177.1-176.558.9000109.6E142 Y143 R191 S193 Y199E142-L197 CarbonylContact C-O 3.57Å; E142-L197 VanDerWaalsContact CA-O 3.26Å; E142-L197 WeakPolarHBondContact CA-O 3.49Å; E142-L197 HydrophobicContact CB-CB 4.06Å; E142-L197 HydrophobicContact CB-CD2 3.87Å; E142-L197 HydrophobicContact CB-CG 3.87Å; Y143-L197 PolarHBondContact N-O 3.03Å; R191-L197 HydrophobicContact CG-CD1 3.93Å; S193-L197 WeakPolarHBondContact O-CA 3.46Å; L197-Y199 HydrophobicContact CD1-CE2 3.85Å; L197-Y199 HydrophobicContact CD2-CE2 3.73Å; L197-Y199 HydrophobicContact CG-CD2 4.3Å; L197-Y199 HydrophobicContact CG-CE2 3.54Å
198I98Very high93Very high0 Ų035.4 Ų35.40%017%0.168CC..EExtended strand (participates in β ladder)trans-119.9133178.9-49.1-168.3000110.3M122 L125 R126 Y143 V145 I192 S193 P196M122-I198 HydrophobicContact CE-CD1 3.62Å; L125-I198 HydrophobicContact CD2-CD1 4.49Å; R126-I198 HydrophobicContact CG-CD1 4.48Å; Y143-I198 HydrophobicContact CD2-CD1 3.9Å; Y143-I198 HydrophobicContact CD2-CG1 3.99Å; Y143-I198 HydrophobicContact CG-CG1 4.46Å; Y143-I198 CarbonylContact O-C 3.41Å; Y143-I198 WeakPolarHBondContact O-CA 3.37Å; V145-I198 HydrophobicContact CG2-CG2 3.99Å; I192-I198 HydrophobicContact CD1-CB 4.1Å; I192-I198 HydrophobicContact CD1-CG2 3.72Å; I192-I198 HydrophobicContact CG1-CB 3.94Å; I192-I198 HydrophobicContact CG1-CG2 3.79Å; I192-I198 WeakPolarHBondContact CG1-O 3.41Å; I192-I198 PolarHBondContact N-O 3.26Å; S193-I198 PolarHBondContact N-O 3.14Å; S193-I198 PolarHBondContact O-N 3.12Å; P196-I198 HydrophobicContact CG-CD1 4.16Å; P196-I198 HydrophobicContact CG-CG1 4.07Å; P196-I198 WeakPolarHBondContact O-CG1 3.28Å; P196-I198 PolarHBondContact O-N 2.87Å; P196-I198 VanDerWaalsContact O-N 3.13Å
199Y97.6Very high92.1Very high41 Ų4132.4 Ų32.416%0.16115%0.147CC..EExtended strand (participates in β ladder)trans-115.4147.5170.2-61.3-91.3000111.8E142 Y143 V145 R189 V190 R191 L197E142-Y199 HydrophobicContact CB-CD2 4.25Å; E142-Y199 HydrophobicContact CB-CE2 4.1Å; E142-Y199 HydrophobicContact CG-CD2 4.03Å; E142-Y199 HydrophobicContact CG-CE2 4.03Å; Y143-Y199 PolarHBondContact O-N 3.38Å; V145-Y199 PolarHBondContact N-O 2.62Å; R189-Y199 HydrophobicContact CB-CD1 4.28Å; R189-Y199 HydrophobicContact CB-CG 4.33Å; R189-Y199 HydrophobicContact CG-CD1 3.67Å; R189-Y199 HydrophobicContact CG-CE1 4.34Å; R189-Y199 HydrophobicContact CG-CG 3.93Å; V190-Y199 CarbonylContact O-C 3.58Å; V190-Y199 WeakPolarHBondContact O-CA 3.4Å; R191-Y199 HydrophobicContact CB-CD1 3.89Å; R191-Y199 HydrophobicContact CB-CE1 3.67Å; R191-Y199 HydrophobicContact CG-CD1 4.47Å; R191-Y199 HydrophobicContact CG-CE1 4.1Å; L197-Y199 HydrophobicContact CD1-CE2 3.85Å; L197-Y199 HydrophobicContact CD2-CE2 3.73Å; L197-Y199 HydrophobicContact CG-CD2 4.3Å; L197-Y199 HydrophobicContact CG-CE2 3.54Å
200M97.7Very high90.9Very high0 Ų030.7 Ų30.70%014%0.143CC..EExtended strand (participates in β ladder)trans-119.1134.8173-81.2176.4172.100112L125 V145 I147 L158 I159 L162 V190 I192L125-M200 HydrophobicContact CD2-CE 3.72Å; V145-M200 HydrophobicContact CB-CE 4.26Å; V145-M200 HydrophobicContact CB-CG 3.86Å; V145-M200 HydrophobicContact CG1-CE 3.9Å; V145-M200 HydrophobicContact CG1-CG 4.2Å; V145-M200 CarbonylContact O-C 3.45Å; V145-M200 VanDerWaalsContact O-CA 3.23Å; V145-M200 WeakPolarHBondContact O-CA 3.34Å; I147-M200 HydrophobicContact CD1-CG 4.47Å; I147-M200 HydrophobicContact CD1-SD 3.74Å; I147-M200 HydrophobicContact CG1-CG 4.39Å; I147-M200 HydrophobicContact CG1-SD 4.16Å; L158-M200 HydrophobicContact CD2-CE 4.45Å; L158-M200 HydrophobicContact CD2-SD 4.2Å; I159-M200 HydrophobicContact CD1-CB 4.3Å; I159-M200 HydrophobicContact CG1-CB 4.19Å; I159-M200 HydrophobicContact CG1-SD 4.22Å; L162-M200 HydrophobicContact CD1-CE 3.54Å; L162-M200 HydrophobicContact CD1-SD 3.82Å; V190-M200 PolarHBondContact N-O 3.1Å; V190-M200 PolarHBondContact O-N 3.3Å; I192-M200 HydrophobicContact CD1-CE 3.54Å; I192-M200 HydrophobicContact CD1-CG 4.01Å; I192-M200 HydrophobicContact CD1-SD 3.62Å; I192-M200 HydrophobicContact CG1-CG 4.02Å; I192-M200 HydrophobicContact CG1-SD 4.09Å; I192-M200 HydrophobicContact CG2-CB 4.04Å; I192-M200 HydrophobicContact CG2-CG 4.18Å; I192-M200 HydrophobicContact CG2-SD 3.99Å
201F96.1Very high89.2Confident7 Ų730.7 Ų30.73%0.03114%0.143CC..EExtended strand (participates in β ladder)trans-86.7114.1166.6-60.7-78.1000109.1K39 V43 N144 V145 M146 I147 V186 R189K39-F201 HydrophobicContact CD-CD1 4.39Å; K39-F201 HydrophobicContact CD-CE1 4.42Å; V43-F201 HydrophobicContact CG2-CD2 4.02Å; V43-F201 HydrophobicContact CG2-CE2 3.9Å; N144-F201 HydrophobicContact CB-CE2 3.93Å; V145-F201 PolarHBondContact O-N 2.94Å; M146-F201 HydrophobicContact CB-CD2 4.49Å; M146-F201 HydrophobicContact CG-CB 4.43Å; I147-F201 PolarHBondContact N-O 3.19Å; V186-F201 HydrophobicContact CG1-CB 4.44Å; R189-F201 HydrophobicContact CB-CD1 3.95Å; R189-F201 HydrophobicContact CB-CE1 3.65Å; R189-F201 HydrophobicContact CB-CZ 4.14Å
202D93.8Very high87.3Confident2 Ų227.9 Ų27.91%0.01113%0.132CC..  trans-76.6133.4167.5-161.111.3000109.6S156 I159 T183 V186 T187S156-D202 WeakPolarHBondContact CB-OD2 3.45Å; S156-D202 PolarHBondContact OG-OD1 3.28Å; S156-D202 PolarHBondContact OG-OD2 3.1Å; I159-D202 HydrophobicContact CD1-CB 3.37Å; T183-D202 PolarHBondContact OG1-OD2 3.34Å; V186-D202 WeakPolarHBondContact CA-O 3.47Å; T187-D202 PolarHBondContact N-O 2.61Å; T187-D202 WeakPolarHBondContact OG1-CB 3.15Å; T187-D202 PolarHBondContact OG1-O 3.38Å
203T92.8Very high85.1Confident0 Ų032.4 Ų32.40%016%0.159CC..  trans-123.5150.2-175.370.70000111.5M36 M146 I147 K155 V186M36-T203 HydrophobicContact CG-CG2 3.79Å; M36-T203 HydrophobicContact SD-CG2 3.72Å; M146-T203 HydrophobicContact CG-CG2 3.86Å; M146-T203 HydrophobicContact SD-CG2 4.4Å; I147-T203 WeakPolarHBondContact O-CB 3.41Å; I147-T203 WeakPolarHBondContact O-CG2 3.22Å; I147-T203 PolarHBondContact O-OG1 3.21Å; K155-T203 WeakPolarHBondContact CE-O 3.35Å; V186-T203 HydrophobicContact CG1-CG2 4.28Å; V186-T203 HydrophobicContact CG2-CG2 4.21Å
204P90.2Very high82.8Confident1 Ų135.7 Ų35.71%0.00618%0.177CC..  trans-56.1146.1169.1-25.836.5000111.4T183 V206T183-P204 WeakPolarHBondContact O-CA 3.17Å; T183-P204 VanDerWaalsContact O-CB 3.28Å; T183-P204 WeakPolarHBondContact O-CB 3.47Å; P204-V206 PolarHBondContact O-N 3.01Å
205G91.6Very high80.7Confident10 Ų1045.6 Ų45.610%0.10321%0.21CC..  trans-66132.8168.200000110.9M29 G149 K155M29-G205 WeakPolarHBondContact CE-O 3.28Å; M29-G205 WeakPolarHBondContact CG-O 3.46Å; G149-G205 VanDerWaalsContact O-CA 3.28Å; G149-G205 WeakPolarHBondContact O-CA 3.49Å; K155-G205 VanDerWaalsContact NZ-CA 3.3Å
206V90.8Very high79.1Confident2 Ų246 Ų461%0.01221%0.212CC..  trans-126115.6179.8-176.90000109.5F25 M29 M33 M36 N60 F63 G149 P204F25-V206 HydrophobicContact CZ-CG1 4.27Å; M29-V206 HydrophobicContact CB-CG1 4.28Å; M29-V206 HydrophobicContact CB-CG2 4.42Å; M33-V206 HydrophobicContact CB-CG1 4.49Å; M33-V206 HydrophobicContact CE-CG1 4.01Å; M36-V206 HydrophobicContact CE-CG2 3.73Å; N60-V206 PolarHBondContact ND2-O 3.34Å; F63-V206 HydrophobicContact CE1-CB 4.15Å; F63-V206 HydrophobicContact CZ-CB 4.07Å; G149-V206 PolarHBondContact O-N 3.39Å; P204-V206 PolarHBondContact O-N 3.01Å
207L86.5Confident77.8Confident0 Ų046.2 Ų46.20%021%0.213CC..  trans-78.7167.6171.5-74169.3000111.6W24 F25 M29 N60 I150 P151 I211 Y212 L231W24-L207 HydrophobicContact CE3-CD1 3.52Å; W24-L207 HydrophobicContact CZ3-CD1 3.39Å; W24-L207 HydrophobicContact CZ3-CG 4.44Å; F25-L207 VanDerWaalsContact CE2-O 3.3Å; F25-L207 WeakPolarHBondContact CE2-O 3.39Å; M29-L207 HydrophobicContact CE-CD1 4.32Å; M29-L207 HydrophobicContact CE-CG 4.36Å; M29-L207 HydrophobicContact SD-CB 4.22Å; N60-L207 PolarHBondContact ND2-O 3.13Å; I150-L207 HydrophobicContact CB-CD2 3.83Å; I150-L207 HydrophobicContact CD1-CD2 4.19Å; I150-L207 HydrophobicContact CG2-CD2 3.89Å; P151-L207 HydrophobicContact CG-CG 4.34Å; L207-I211 HydrophobicContact CB-CD1 4.38Å; L207-I211 HydrophobicContact CD2-CD1 4Å; L207-Y212 HydrophobicContact CD1-CE2 3.92Å; L207-L231 HydrophobicContact CD1-CD2 3.33Å; L207-L231 HydrophobicContact CD2-CD2 4.45Å
208T77.9Confident77Confident8 Ų848.6 Ų48.65%0.04922%0.222CC..  trans-77.6127.6166.8-46.40000108.8N60 E210 I211N60-T208 WeakPolarHBondContact CA-OG1 3.31Å; N60-T208 PolarHBondContact OD1-OG1 3.02Å; T208-E210 HydrophobicContact CG2-CB 3.81Å; T208-E210 HydrophobicContact CG2-CG 3.99Å; T208-E210 PolarHBondContact O-N 2.94Å; T208-E210 VanDerWaalsContact O-N 3.13Å; T208-I211 WeakPolarHBondContact O-CB 3.27Å; T208-I211 PolarHBondContact O-N 3.2Å
209P63.8Low76.2Confident37 Ų3750.9 Ų50.924%0.2424%0.237CC..THydrogen-bonded Turntrans-55.8-30.9176-22.229.9000113.3F25 I211 Y212 V213F25-P209 HydrophobicContact CD2-CB 4.12Å; F25-P209 HydrophobicContact CD2-CG 4.03Å; F25-P209 HydrophobicContact CE2-CB 4.13Å; F25-P209 HydrophobicContact CE2-CG 3.53Å; F25-P209 HydrophobicContact CZ-CG 3.98Å; P209-I211 PolarHBondContact O-N 2.89Å; P209-Y212 PolarHBondContact O-N 3.35Å; P209-V213 WeakPolarHBondContact O-CG2 3.48Å; P209-V213 PolarHBondContact O-N 3.44Å; P209-V213 VanDerWaalsContact O-N 3.12Å
210E66.4Low75.8Confident69 Ų6950.5 Ų50.532%0.32224%0.236SC..Hα-helixtrans-59.8-26.5-178.7-65.8150.8-150.500113.7Q62 T208 Y212 N214Q62-E210 PolarHBondContact NE2-OE1 3.2Å; T208-E210 HydrophobicContact CG2-CB 3.81Å; T208-E210 HydrophobicContact CG2-CG 3.99Å; T208-E210 PolarHBondContact O-N 2.94Å; T208-E210 VanDerWaalsContact O-N 3.13Å; E210-Y212 PolarHBondContact O-N 3.04Å; E210-N214 PolarHBondContact O-N 3.17Å
211I59.8Low75.4Confident15 Ų1551.6 Ų51.68%0.07724%0.244CC..Hα-helixtrans-55.4-24.8175.1-65.3166.9000111.4L207 T208 P209 V217 V222 L225L207-I211 HydrophobicContact CB-CD1 4.38Å; L207-I211 HydrophobicContact CD2-CD1 4Å; T208-I211 WeakPolarHBondContact O-CB 3.27Å; T208-I211 PolarHBondContact O-N 3.2Å; P209-I211 PolarHBondContact O-N 2.89Å; I211-V217 HydrophobicContact CG1-CG2 4.29Å; I211-V222 HydrophobicContact CG2-CG2 4.03Å; I211-L225 HydrophobicContact CD1-CD1 3.93Å; I211-L225 HydrophobicContact CG2-CD1 4.22Å
212Y55.4Low75.1Confident23 Ų2351.3 Ų51.39%0.0924%0.243CC..Hα-helixtrans-118.9-31.3-173.7-67.1-68.7000115.1E22 T23 W24 L207 P209 E210 L231E22-Y212 WeakPolarHBondContact O-CD1 3.49Å; T23-Y212 HydrophobicContact CG2-CG 4.42Å; W24-Y212 HydrophobicContact CB-CD1 4.37Å; W24-Y212 HydrophobicContact CB-CE1 3.75Å; W24-Y212 HydrophobicContact CB-CE2 4.16Å; W24-Y212 HydrophobicContact CE3-CE2 4.49Å; W24-Y212 VanDerWaalsContact N-CD1 3.3Å; W24-Y212 WeakPolarHBondContact O-CD2 3.16Å; W24-Y212 WeakPolarHBondContact O-CE2 3.28Å; L207-Y212 HydrophobicContact CD1-CE2 3.92Å; P209-Y212 PolarHBondContact O-N 3.35Å; E210-Y212 PolarHBondContact O-N 3.04Å; Y212-L231 VanDerWaalsContact OH-CD1 3.32Å; Y212-L231 WeakPolarHBondContact OH-CD1 3.14Å; Y212-L231 WeakPolarHBondContact OH-CD2 3.18Å
213V50.6Low75.1Confident95 Ų9551.2 Ų51.258%0.57624%0.242SC*.Hα-helixtrans-90.7-27.9-171.3179.60000111.2T23 P209T23-V213 HydrophobicContact CG2-CG2 4.11Å; P209-V213 WeakPolarHBondContact O-CG2 3.48Å; P209-V213 PolarHBondContact O-N 3.44Å; P209-V213 VanDerWaalsContact O-N 3.12Å
214N49.2Very low75.2Confident72 Ų7251.2 Ų51.239%0.38524%0.243SC..  trans-120.5129.2-173.7-69-34.1000110.4E210 R216E210-N214 PolarHBondContact O-N 3.17Å; N214-R216 HydrophobicContact CB-CB 4.25Å; N214-R216 HydrophobicContact CB-CG 4.25Å; N214-R216 PolarHBondContact O-N 2.81Å
215R52.9Low75.4Confident263 Ų26351.2 Ų51.299%0.99224%0.242SC*.THydrogen-bonded Turntrans-62.918.9168.7-63-175178.4-175.7-1.1114
216R58.7Low75.6Confident227 Ų22750.8 Ų50.886%0.85724%0.238SC*.THydrogen-bonded Turntrans-89.1-14.5179.1-67.8-173.4-179.2-171.70112.8N214N214-R216 HydrophobicContact CB-CB 4.25Å; N214-R216 HydrophobicContact CB-CG 4.25Å; N214-R216 PolarHBondContact O-N 2.81Å
217V68.2Low75.9Confident41 Ų4150.7 Ų50.725%0.24824%0.237CC..SBendtrans-86.5131.2175.21770000108.9I211I211-V217 HydrophobicContact CG1-CG2 4.29Å
218H79.5Confident76.4Confident107 Ų10750.7 Ų50.750%0.49524%0.237SC..  trans-59.2129.8176.1-167.2-94.5000108.6E220 S221H218-E220 IonicContact CE1-OE1 2.66Å; H218-E220 WeakPolarHBondContact ND1-CB 3.4Å; H218-E220 PolarHBondContact ND1-N 3.14Å; H218-E220 PolarHBondContact O-N 3.1Å; H218-E220 VanDerWaalsContact O-N 3.14Å; H218-S221 WeakPolarHBondContact O-CB 3.25Å; H218-S221 PolarHBondContact O-N 3.05Å; H218-S221 PolarHBondContact O-OG 3.09Å
219P81Confident77.2Confident49 Ų4951.5 Ų51.532%0.31824%0.24SC..Hα-helixtrans-62-29.5-172-20.228.8000113.9L15 S221 V222L15-P219 HydrophobicContact CD1-CB 3.12Å; L15-P219 HydrophobicContact CD1-CG 3.76Å; L15-P219 HydrophobicContact CG-CB 4.13Å; P219-S221 PolarHBondContact O-N 3.27Å; P219-V222 PolarHBondContact O-N 3.21Å; P219-V222 VanDerWaalsContact O-N 3.12Å
220E88.7Confident78.6Confident32 Ų3249.8 Ų49.815%0.1523%0.229CC..Hα-helixtrans-61.8-26.8172.4-64.2-173.4-149.100113.5H218 V222 L223 K224 Y244H218-E220 IonicContact CE1-OE1 2.66Å; H218-E220 WeakPolarHBondContact ND1-CB 3.4Å; H218-E220 PolarHBondContact ND1-N 3.14Å; H218-E220 PolarHBondContact O-N 3.1Å; H218-E220 VanDerWaalsContact O-N 3.14Å; E220-V222 PolarHBondContact O-N 3.37Å; E220-L223 WeakPolarHBondContact O-CB 3.46Å; E220-L223 PolarHBondContact O-N 2.91Å; E220-L223 VanDerWaalsContact O-N 3.09Å; E220-K224 VanDerWaalsContact O-CG 3.31Å; E220-K224 WeakPolarHBondContact O-CG 3.29Å; E220-K224 PolarHBondContact O-N 3.12Å; E220-Y244 HydrophobicContact CB-CE2 4.03Å; E220-Y244 HydrophobicContact CG-CE2 3.7Å; E220-Y244 WeakPolarHBondContact OE2-CE2 3.25Å; E220-Y244 PolarHBondContact OE2-OH 3.32Å
221S90Very high79.7Confident23 Ų2346.6 Ų46.616%0.16121%0.214CC..Hα-helixtrans-58.7-36174.9-62.30000111.5T57 H218 P219 L225T57-S221 WeakPolarHBondContact CG2-O 3.36Å; H218-S221 WeakPolarHBondContact O-CB 3.25Å; H218-S221 PolarHBondContact O-N 3.05Å; H218-S221 PolarHBondContact O-OG 3.09Å; P219-S221 PolarHBondContact O-N 3.27Å; S221-L225 WeakPolarHBondContact O-CB 3.46Å; S221-L225 WeakPolarHBondContact O-CD1 3.29Å; S221-L225 WeakPolarHBondContact O-CG 3.3Å; S221-L225 PolarHBondContact O-N 3.48Å
222V89.7Confident81.2Confident1 Ų147.2 Ų47.21%0.00622%0.219CC..Hα-helixtrans-69-41.4176.2-178.50000110.8L21 I211 P219 E220 L225 G226 L231 V236L21-V222 HydrophobicContact CD1-CG2 3.85Å; L21-V222 HydrophobicContact CD2-CB 3.84Å; L21-V222 HydrophobicContact CD2-CG1 3.26Å; L21-V222 HydrophobicContact CD2-CG2 3.67Å; L21-V222 HydrophobicContact CG-CG2 4.44Å; I211-V222 HydrophobicContact CG2-CG2 4.03Å; P219-V222 PolarHBondContact O-N 3.21Å; P219-V222 VanDerWaalsContact O-N 3.12Å; E220-V222 PolarHBondContact O-N 3.37Å; V222-L225 PolarHBondContact O-N 3.18Å; V222-G226 PolarHBondContact O-N 3.32Å; V222-L231 HydrophobicContact CG1-CD1 3.56Å; V222-V236 HydrophobicContact CG1-CG1 4.23Å; V222-V236 HydrophobicContact CG1-CG2 4.13Å
223L93.8Very high83Confident0 Ų047.3 Ų47.30%022%0.221CC..Hα-helixtrans-62.7-44.3177.4-57.5172.2000110.9F13 L15 E220 L225 G226 L227 V236 L240 L241 Y244F13-L223 HydrophobicContact CD1-CD1 3.67Å; F13-L223 HydrophobicContact CE1-CD1 3.39Å; F13-L223 HydrophobicContact CZ-CD1 4.25Å; L15-L223 HydrophobicContact CD2-CD1 4.1Å; E220-L223 WeakPolarHBondContact O-CB 3.46Å; E220-L223 PolarHBondContact O-N 2.91Å; E220-L223 VanDerWaalsContact O-N 3.09Å; L223-L225 PolarHBondContact O-N 3.32Å; L223-G226 PolarHBondContact O-N 2.57Å; L223-L227 WeakPolarHBondContact O-CG 3.11Å; L223-L227 PolarHBondContact O-N 2.92Å; L223-V236 HydrophobicContact CD2-CG1 3.82Å; L223-L240 HydrophobicContact CD2-CD2 3.84Å; L223-L240 HydrophobicContact CD2-CG 3.81Å; L223-L241 HydrophobicContact CD2-CD2 4.33Å; L223-L241 WeakPolarHBondContact O-CD2 3.27Å; L223-Y244 HydrophobicContact CB-CD1 3.48Å; L223-Y244 VanDerWaalsContact CB-CD1 3.48Å; L223-Y244 HydrophobicContact CB-CD2 4.19Å; L223-Y244 HydrophobicContact CB-CE1 3.87Å; L223-Y244 HydrophobicContact CB-CG 3.66Å; L223-Y244 HydrophobicContact CD1-CD1 4.31Å; L223-Y244 HydrophobicContact CD1-CD2 3.47Å; L223-Y244 VanDerWaalsContact CD1-CD2 3.47Å; L223-Y244 HydrophobicContact CD1-CE2 4.06Å; L223-Y244 HydrophobicContact CD1-CG 3.62Å; L223-Y244 HydrophobicContact CG-CD1 4.5Å; L223-Y244 HydrophobicContact CG-CD2 4.46Å; L223-Y244 HydrophobicContact CG-CG 4.2Å
224K95.5Very high84.8Confident1 Ų149 Ų490%0.00422%0.223CC..Hα-helixtrans-59.4-46.5173.8-66.7174177.8-176.30112.1I54 T57 E220 G226 L227 C228 Y244 L320 D321 D323I54-K224 HydrophobicContact CG2-CB 4.03Å; T57-K224 HydrophobicContact CG2-CB 4.15Å; T57-K224 HydrophobicContact CG2-CD 4.37Å; E220-K224 VanDerWaalsContact O-CG 3.31Å; E220-K224 WeakPolarHBondContact O-CG 3.29Å; E220-K224 PolarHBondContact O-N 3.12Å; K224-G226 VanDerWaalsContact C-N 3.32Å; K224-G226 PolarHBondContact O-N 3.11Å; K224-L227 PolarHBondContact O-N 3.3Å; K224-C228 PolarHBondContact O-N 2.73Å; K224-Y244 VanDerWaalsContact CE-OH 3.32Å; K224-Y244 WeakPolarHBondContact CE-OH 3.39Å; K224-Y244 HydrophobicContact CG-CE1 3.86Å; K224-L320 HydrophobicContact CB-CD1 4.05Å; K224-L320 HydrophobicContact CD-CB 4.29Å; K224-L320 VanDerWaalsContact CE-O 3.25Å; K224-L320 WeakPolarHBondContact CE-O 3.37Å; K224-L320 HydrophobicContact CG-CB 4.12Å; K224-L320 HydrophobicContact CG-CD1 4.23Å; K224-L320 PolarHBondContact NZ-O 3.1Å; K224-D321 WeakPolarHBondContact CD-OD1 3.22Å; K224-D321 IonicContact NZ-OD1 3.57Å; K224-D321 PolarHBondContact NZ-OD1 2.84Å; K224-D323 IonicContact NZ-OD1 3.94Å; K224-D323 PolarHBondContact NZ-OD1 2.66Å; K224-D323 IonicContact NZ-OD2 3.61Å; K224-D323 PolarHBondContact NZ-OD2 2.81Å
225L94.4Very high86.6Confident1 Ų151.9 Ų51.91%0.00523%0.229CC..Hα-helixtrans-61.2-39.3175.6-71.2167.2000112I54 T57 I150 I211 S221 V222 L223 C228 E229 C230 L231I54-L225 HydrophobicContact CD1-CD2 3.88Å; T57-L225 HydrophobicContact CG2-CD2 4.33Å; T57-L225 HydrophobicContact CG2-CG 3.97Å; I150-L225 HydrophobicContact CD1-CD2 3.48Å; I150-L225 VanDerWaalsContact CD1-CD2 3.48Å; I211-L225 HydrophobicContact CD1-CD1 3.93Å; I211-L225 HydrophobicContact CG2-CD1 4.22Å; S221-L225 WeakPolarHBondContact O-CB 3.46Å; S221-L225 WeakPolarHBondContact O-CD1 3.29Å; S221-L225 WeakPolarHBondContact O-CG 3.3Å; S221-L225 PolarHBondContact O-N 3.48Å; V222-L225 PolarHBondContact O-N 3.18Å; L223-L225 PolarHBondContact O-N 3.32Å; L225-C228 PolarHBondContact O-N 2.94Å; L225-E229 PolarHBondContact O-N 3.49Å; L225-C230 HydrophobicContact CB-CB 4.2Å; L225-C230 HydrophobicContact CD2-CB 3.97Å; L225-C230 WeakPolarHBondContact O-CB 3.44Å; L225-C230 PolarHBondContact O-N 3.28Å; L225-L231 HydrophobicContact CB-CD1 3.98Å; L225-L231 HydrophobicContact CB-CG 3.9Å
226G94.4Very high88.3Confident0 Ų039.9 Ų39.90%018%0.184CC..Hα-helixtrans-66-45.4175.400000112.6V222 L223 K224 C228 E229 R311V222-G226 PolarHBondContact O-N 3.32Å; L223-G226 PolarHBondContact O-N 2.57Å; K224-G226 VanDerWaalsContact C-N 3.32Å; K224-G226 PolarHBondContact O-N 3.11Å; G226-C228 PolarHBondContact O-N 3.38Å; G226-E229 PolarHBondContact O-N 3.28Å; G226-R311 PolarHBondContact O-NH2 2.88Å
227L97.4Very high89.9Confident0 Ų030.3 Ų30.30%016%0.156CC..Hα-helixtrans-58.6-37.2174.7-73.2-177.1000112.2L223 K224 E229 L241 Y244 L245 I307 F310 R311 L320L223-L227 WeakPolarHBondContact O-CG 3.11Å; L223-L227 PolarHBondContact O-N 2.92Å; K224-L227 PolarHBondContact O-N 3.3Å; L227-E229 PolarHBondContact O-N 2.88Å; L227-L241 HydrophobicContact CD2-CB 4.2Å; L227-L241 HydrophobicContact CD2-CD2 4.36Å; L227-L241 HydrophobicContact CG-CD2 4.25Å; L227-Y244 HydrophobicContact CD1-CD1 3.71Å; L227-Y244 HydrophobicContact CD1-CE1 4.18Å; L227-Y244 HydrophobicContact CG-CD1 4.5Å; L227-L245 HydrophobicContact CD1-CB 4.23Å; L227-L245 HydrophobicContact CD1-CD1 4.29Å; L227-L245 HydrophobicContact CD2-CB 4.04Å; L227-I307 HydrophobicContact CD2-CG1 4.39Å; L227-I307 HydrophobicContact CD2-CG2 4.28Å; L227-F310 HydrophobicContact CB-CD1 4.3Å; L227-F310 HydrophobicContact CB-CE1 3.85Å; L227-R311 PolarHBondContact O-NE 3.07Å; L227-L320 HydrophobicContact CB-CD1 4.2Å; L227-L320 HydrophobicContact CD1-CD1 4.36Å; L227-L320 HydrophobicContact CD1-CD2 4.29Å
228C96.7Very high91.3Very high0 Ų028.8 Ų28.80%015%0.147CC..THydrogen-bonded Turntrans-79.16.5175-680000115I54 K224 L225 G226 C230I54-C228 HydrophobicContact CD1-CB 3.82Å; I54-C228 HydrophobicContact CG1-CB 4.39Å; K224-C228 PolarHBondContact O-N 2.73Å; L225-C228 PolarHBondContact O-N 2.94Å; G226-C228 PolarHBondContact O-N 3.38Å; C228-C230 PolarHBondContact O-N 2.94Å
229E95.1Very high92.1Very high26 Ų2627.4 Ų27.412%0.12114%0.141CC..THydrogen-bonded Turntrans60.122.3-178.9-61.4171.2115.900113.2N152 L225 G226 L227 L231 R311N152-E229 HydrophobicContact CB-CB 4.49Å; N152-E229 WeakPolarHBondContact CB-O 3.41Å; N152-E229 WeakPolarHBondContact ND2-CB 3.47Å; N152-E229 PolarHBondContact ND2-OE2 3.34Å; L225-E229 PolarHBondContact O-N 3.49Å; G226-E229 PolarHBondContact O-N 3.28Å; L227-E229 PolarHBondContact O-N 2.88Å; E229-L231 VanDerWaalsContact C-N 3.27Å; E229-R311 HydrophobicContact CG-CG 4.22Å
230C93Very high92.8Very high0 Ų026.2 Ų26.20%013%0.132CC..SBendtrans-74.8-24.9174.7-64.10000111.4I150 P151 L225 C228I150-C230 HydrophobicContact CD1-CB 3.89Å; I150-C230 WeakPolarHBondContact CD1-SG 3.49Å; P151-C230 PolarHBondContact O-SG 2.95Å; L225-C230 HydrophobicContact CB-CB 4.2Å; L225-C230 HydrophobicContact CD2-CB 3.97Å; L225-C230 WeakPolarHBondContact O-CB 3.44Å; L225-C230 PolarHBondContact O-N 3.28Å; C228-C230 PolarHBondContact O-N 2.94Å
231L90.6Very high93.2Very high2 Ų224.7 Ų24.71%0.0112%0.124CC..SBendtrans-116.4153175.3-51.3-174000110.3W24 L207 Y212 V222 L225 E229 D233 V236W24-L231 HydrophobicContact CE3-CD2 3.95Å; W24-L231 HydrophobicContact CZ3-CD2 4.11Å; L207-L231 HydrophobicContact CD1-CD2 3.33Å; L207-L231 HydrophobicContact CD2-CD2 4.45Å; Y212-L231 VanDerWaalsContact OH-CD1 3.32Å; Y212-L231 WeakPolarHBondContact OH-CD1 3.14Å; Y212-L231 WeakPolarHBondContact OH-CD2 3.18Å; V222-L231 HydrophobicContact CG1-CD1 3.56Å; L225-L231 HydrophobicContact CB-CD1 3.98Å; L225-L231 HydrophobicContact CB-CG 3.9Å; E229-L231 VanDerWaalsContact C-N 3.27Å; L231-D233 PolarHBondContact O-N 3.09Å; L231-V236 HydrophobicContact CB-CG2 3.94Å; L231-V236 HydrophobicContact CD1-CG2 3.89Å
232P90Very high93.6Very high29 Ų2923.6 Ų23.619%0.18812%0.117CC..  trans-64.4131.7169.2-16.630.5000110.9W24 P180 E234 R235 V236W24-P232 HydrophobicContact CZ2-CG 4.18Å; P180-P232 HydrophobicContact CG-CG 4.45Å; P232-E234 PolarHBondContact O-N 3.2Å; P232-R235 HydrophobicContact CB-CB 4.39Å; P232-R235 HydrophobicContact CB-CG 4.04Å; P232-R235 HydrophobicContact CG-CG 4.16Å; P232-R235 WeakPolarHBondContact O-CB 3.33Å; P232-R235 PolarHBondContact O-N 3.31Å; P232-V236 PolarHBondContact O-N 3.35Å
233D92.8Very high94Very high24 Ų2424.7 Ų24.713%0.12812%0.123CC..Hα-helixtrans-57.2-40.4-176.6-59-3.7000111.8L231 R235 V236 G237 V238 L241 R311L231-D233 PolarHBondContact O-N 3.09Å; D233-R235 PolarHBondContact O-N 2.92Å; D233-V236 PolarHBondContact O-N 2.81Å; D233-V236 VanDerWaalsContact O-N 3.1Å; D233-G237 PolarHBondContact O-N 2.93Å; D233-V238 HydrophobicContact CB-CG2 4.05Å; D233-L241 HydrophobicContact CB-CD1 4.19Å; D233-R311 VanDerWaalsContact CG-NH2 3.29Å; D233-R311 IonicContact OD1-CZ 3.93Å; D233-R311 IonicContact OD1-NH1 3.64Å; D233-R311 PolarHBondContact OD1-NH1 3.33Å; D233-R311 IonicContact OD1-NH2 3.76Å; D233-R311 PolarHBondContact OD1-NH2 3.44Å; D233-R311 IonicContact OD2-CZ 3.16Å; D233-R311 IonicContact OD2-NH1 3.48Å; D233-R311 PolarHBondContact OD2-NH1 3.03Å; D233-R311 IonicContact OD2-NH2 2.67Å; D233-R311 PolarHBondContact OD2-NH2 3.29Å
234E89.9Confident94.1Very high131 Ų13124.9 Ų24.961%0.61212%0.123SC*.Hα-helixtrans-66.4-23.7-178.5-56.579-167.600112.5P232P232-E234 PolarHBondContact O-N 3.2Å
235R86.9Confident94.2Very high133 Ų13324.8 Ų24.850%0.50212%0.123SC..Hα-helixtrans-81.8-21.2176.4-67.6-66.2-173.8-172.7-4.5112.9E22 P232 D233E22-R235 IonicContact OE2-CZ 3.19Å; E22-R235 IonicContact OE2-NH1 3.54Å; E22-R235 PolarHBondContact OE2-NH1 3.15Å; P232-R235 HydrophobicContact CB-CB 4.39Å; P232-R235 HydrophobicContact CB-CG 4.04Å; P232-R235 HydrophobicContact CG-CG 4.16Å; P232-R235 WeakPolarHBondContact O-CB 3.33Å; P232-R235 PolarHBondContact O-N 3.31Å; D233-R235 PolarHBondContact O-N 2.92Å
236V89.1Confident94.4Very high10 Ų1024.8 Ų24.86%0.06112%0.123CC..Hα-helixtrans-95.4-35.4176.6-172.60000110.8V222 L223 L231 P232 D233 L241V222-V236 HydrophobicContact CG1-CG1 4.23Å; V222-V236 HydrophobicContact CG1-CG2 4.13Å; L223-V236 HydrophobicContact CD2-CG1 3.82Å; L231-V236 HydrophobicContact CB-CG2 3.94Å; L231-V236 HydrophobicContact CD1-CG2 3.89Å; P232-V236 PolarHBondContact O-N 3.35Å; D233-V236 PolarHBondContact O-N 2.81Å; D233-V236 VanDerWaalsContact O-N 3.1Å; V236-L241 HydrophobicContact CB-CD1 4.15Å; V236-L241 HydrophobicContact CB-CD2 4.28Å; V236-L241 HydrophobicContact CB-CG 4.15Å; V236-L241 HydrophobicContact CG1-CD1 4.44Å; V236-L241 HydrophobicContact CG1-CD2 3.71Å; V236-L241 HydrophobicContact CG1-CG 3.91Å
237G92.3Very high94.4Very high26 Ų2625.3 Ų25.327%0.26813%0.125SC..  trans106.5110.9-171.600000109.9D233 E239 L240 L241D233-G237 PolarHBondContact O-N 2.93Å; G237-E239 PolarHBondContact O-N 2.77Å; G237-L240 PolarHBondContact O-N 3.18Å; G237-L241 WeakPolarHBondContact O-CG 3.32Å; G237-L241 PolarHBondContact O-N 2.9Å
238V95.9Very high94.3Very high10 Ų1025.8 Ų25.86%0.06113%0.127CC..Hα-helixtrans-62.8-46.3-174.4-176.40000111.2D233 L240 L241 A242 E300 A303 K304 I307D233-V238 HydrophobicContact CB-CG2 4.05Å; V238-L240 VanDerWaalsContact C-N 3.33Å; V238-L240 PolarHBondContact O-N 2.71Å; V238-L241 PolarHBondContact O-N 2.97Å; V238-A242 PolarHBondContact O-N 3.13Å; V238-E300 HydrophobicContact CB-CG 4.14Å; V238-E300 HydrophobicContact CG1-CG 4.32Å; V238-E300 HydrophobicContact CG2-CG 4.29Å; V238-A303 HydrophobicContact CG1-CB 3.72Å; V238-K304 HydrophobicContact CG1-CG 3.59Å; V238-I307 HydrophobicContact CG1-CD1 4.06Å; V238-I307 WeakPolarHBondContact O-CD1 3.2Å
239E96.7Very high94.3Very high78 Ų7826 Ų2636%0.36413%0.128SC..Hα-helixtrans-67.7-35.3178.8-65.8178.6153.300111.5G237 A242 D243 L274 T299 A303G237-E239 PolarHBondContact O-N 2.77Å; E239-A242 WeakPolarHBondContact O-CB 3.31Å; E239-A242 PolarHBondContact O-N 3.2Å; E239-D243 WeakPolarHBondContact O-CB 3.47Å; E239-D243 PolarHBondContact O-N 2.92Å; E239-L274 HydrophobicContact CB-CD1 4.34Å; E239-L274 HydrophobicContact CG-CD1 4Å; E239-T299 WeakPolarHBondContact OE1-CB 3.18Å; E239-T299 PolarHBondContact OE1-OG1 2.84Å; E239-A303 HydrophobicContact CG-CB 4.13Å
240L95.6Very high94.3Very high23 Ų2325.2 Ų25.212%0.1213%0.125CC..Hα-helixtrans-65-39.6174.1-177.564.9000112.3F13 L15 P16 F19 L223 G237 V238 A242 D243 Y244F13-L240 HydrophobicContact CE1-CD1 3.94Å; F13-L240 HydrophobicContact CZ-CD1 3.79Å; L15-L240 HydrophobicContact CD2-CD1 4.43Å; L15-L240 HydrophobicContact CD2-CD2 4.19Å; P16-L240 HydrophobicContact CG-CD1 3.93Å; F19-L240 HydrophobicContact CD2-CD2 3.26Å; F19-L240 HydrophobicContact CE2-CD2 3.36Å; F19-L240 HydrophobicContact CG-CD2 4.13Å; F19-L240 HydrophobicContact CZ-CD2 4.27Å; L223-L240 HydrophobicContact CD2-CD2 3.84Å; L223-L240 HydrophobicContact CD2-CG 3.81Å; G237-L240 PolarHBondContact O-N 3.18Å; V238-L240 VanDerWaalsContact C-N 3.33Å; V238-L240 PolarHBondContact O-N 2.71Å; L240-A242 VanDerWaalsContact C-N 3.34Å; L240-D243 PolarHBondContact O-N 3.41Å; L240-Y244 WeakPolarHBondContact O-CB 3.48Å; L240-Y244 PolarHBondContact O-N 2.93Å
241L97.2Very high94.2Very high0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-63.5-41.8173.1-74.7175.2000111.4L223 L227 D233 V236 G237 V238 D243 Y244 L245 I307L223-L241 HydrophobicContact CD2-CD2 4.33Å; L223-L241 WeakPolarHBondContact O-CD2 3.27Å; L227-L241 HydrophobicContact CD2-CB 4.2Å; L227-L241 HydrophobicContact CD2-CD2 4.36Å; L227-L241 HydrophobicContact CG-CD2 4.25Å; D233-L241 HydrophobicContact CB-CD1 4.19Å; V236-L241 HydrophobicContact CB-CD1 4.15Å; V236-L241 HydrophobicContact CB-CD2 4.28Å; V236-L241 HydrophobicContact CB-CG 4.15Å; V236-L241 HydrophobicContact CG1-CD1 4.44Å; V236-L241 HydrophobicContact CG1-CD2 3.71Å; V236-L241 HydrophobicContact CG1-CG 3.91Å; G237-L241 WeakPolarHBondContact O-CG 3.32Å; G237-L241 PolarHBondContact O-N 2.9Å; V238-L241 PolarHBondContact O-N 2.97Å; L241-D243 VanDerWaalsContact C-N 3.34Å; L241-Y244 PolarHBondContact O-N 2.61Å; L241-L245 WeakPolarHBondContact O-CB 3.26Å; L241-L245 PolarHBondContact O-N 3.49Å; L241-I307 HydrophobicContact CB-CD1 3.61Å; L241-I307 HydrophobicContact CB-CG1 4.4Å
242A98.3Very high94.2Very high0 Ų033.4 Ų33.40%016%0.158CC..Hα-helixtrans-64.7-39.8176.500000111.6V238 E239 L240 L245 L246 I270 L274 A303 F306 I307V238-A242 PolarHBondContact O-N 3.13Å; E239-A242 WeakPolarHBondContact O-CB 3.31Å; E239-A242 PolarHBondContact O-N 3.2Å; L240-A242 VanDerWaalsContact C-N 3.34Å; A242-L245 WeakPolarHBondContact O-CB 3.46Å; A242-L245 PolarHBondContact O-N 3.42Å; A242-L246 PolarHBondContact O-N 2.84Å; A242-I270 HydrophobicContact CB-CD1 3.97Å; A242-I270 HydrophobicContact CB-CG1 4.5Å; A242-L274 HydrophobicContact CB-CD2 4.39Å; A242-A303 HydrophobicContact CB-CB 3.72Å; A242-F306 HydrophobicContact CB-CD1 4.06Å; A242-F306 WeakPolarHBondContact O-CE1 3.33Å; A242-I307 HydrophobicContact CB-CD1 4.18Å; A242-I307 HydrophobicContact CB-CG1 4.16Å
243D97.8Very high94.2Very high24 Ų2439.1 Ų39.113%0.12819%0.187CC..Hα-helixtrans-63.5-46.9175.5-171.331.9000112R10 F13 E239 L240 L241 L245 L246 Y247 I270R10-D243 IonicContact CZ-OD1 2.93Å; R10-D243 IonicContact CZ-OD2 3.19Å; R10-D243 IonicContact NH1-OD1 3.66Å; R10-D243 PolarHBondContact NH1-OD1 3.4Å; R10-D243 IonicContact NH1-OD2 3.13Å; R10-D243 PolarHBondContact NH1-OD2 3.08Å; R10-D243 PolarHBondContact NH2-O 3.23Å; R10-D243 IonicContact NH2-OD1 2.65Å; R10-D243 PolarHBondContact NH2-OD1 2.85Å; F13-D243 HydrophobicContact CE2-CB 4.29Å; F13-D243 VanDerWaalsContact CE2-OD2 3.29Å; F13-D243 WeakPolarHBondContact CE2-OD2 3.41Å; F13-D243 HydrophobicContact CZ-CB 4.32Å; F13-D243 WeakPolarHBondContact CZ-OD2 3.32Å; E239-D243 WeakPolarHBondContact O-CB 3.47Å; E239-D243 PolarHBondContact O-N 2.92Å; L240-D243 PolarHBondContact O-N 3.41Å; L241-D243 VanDerWaalsContact C-N 3.34Å; D243-L245 VanDerWaalsContact C-N 3.28Å; D243-L245 PolarHBondContact O-N 2.92Å; D243-L246 WeakPolarHBondContact O-CB 3.2Å; D243-L246 PolarHBondContact O-N 2.91Å; D243-Y247 PolarHBondContact O-N 3.46Å; D243-I270 HydrophobicContact CB-CB 3.94Å; D243-I270 HydrophobicContact CB-CG1 3.88Å; D243-I270 HydrophobicContact CB-CG2 3.87Å; D243-I270 WeakPolarHBondContact OD1-CB 2.98Å; D243-I270 WeakPolarHBondContact OD1-CG2 3.31Å
244Y96.8Very high94Very high4 Ų439.9 Ų39.92%0.01619%0.188CC..Hα-helixtrans-62.1-37.4175.5-175.5-109.3000112.4F13 E220 L223 K224 L227 L240 L241 Y247 F248F13-Y244 HydrophobicContact CB-CD2 4.26Å; F13-Y244 HydrophobicContact CB-CE2 4.36Å; F13-Y244 AromaticContact CD1-CD2 3.81Å; F13-Y244 HydrophobicContact CD1-CD2 3.81Å; F13-Y244 HydrophobicContact CD1-CE2 4.47Å; F13-Y244 AromaticContact CD2-CD2 3.86Å; F13-Y244 HydrophobicContact CD2-CD2 3.86Å; F13-Y244 HydrophobicContact CE1-CD2 4.06Å; F13-Y244 VanDerWaalsContact CE2-CA 3.46Å; F13-Y244 HydrophobicContact CE2-CD2 4.1Å; F13-Y244 AromaticContact CG-CD2 3.7Å; F13-Y244 HydrophobicContact CG-CD2 3.7Å; F13-Y244 HydrophobicContact CG-CE2 4.27Å; F13-Y244 HydrophobicContact CZ-CD2 4.2Å; E220-Y244 HydrophobicContact CB-CE2 4.03Å; E220-Y244 HydrophobicContact CG-CE2 3.7Å; E220-Y244 WeakPolarHBondContact OE2-CE2 3.25Å; E220-Y244 PolarHBondContact OE2-OH 3.32Å; L223-Y244 HydrophobicContact CB-CD1 3.48Å; L223-Y244 VanDerWaalsContact CB-CD1 3.48Å; L223-Y244 HydrophobicContact CB-CD2 4.19Å; L223-Y244 HydrophobicContact CB-CE1 3.87Å; L223-Y244 HydrophobicContact CB-CG 3.66Å; L223-Y244 HydrophobicContact CD1-CD1 4.31Å; L223-Y244 HydrophobicContact CD1-CD2 3.47Å; L223-Y244 VanDerWaalsContact CD1-CD2 3.47Å; L223-Y244 HydrophobicContact CD1-CE2 4.06Å; L223-Y244 HydrophobicContact CD1-CG 3.62Å; L223-Y244 HydrophobicContact CG-CD1 4.5Å; L223-Y244 HydrophobicContact CG-CD2 4.46Å; L223-Y244 HydrophobicContact CG-CG 4.2Å; K224-Y244 VanDerWaalsContact CE-OH 3.32Å; K224-Y244 WeakPolarHBondContact CE-OH 3.39Å; K224-Y244 HydrophobicContact CG-CE1 3.86Å; L227-Y244 HydrophobicContact CD1-CD1 3.71Å; L227-Y244 HydrophobicContact CD1-CE1 4.18Å; L227-Y244 HydrophobicContact CG-CD1 4.5Å; L240-Y244 WeakPolarHBondContact O-CB 3.48Å; L240-Y244 PolarHBondContact O-N 2.93Å; L241-Y244 PolarHBondContact O-N 2.61Å; Y244-Y247 AromaticContact CD2-CD1 3.89Å; Y244-Y247 HydrophobicContact CD2-CD1 3.89Å; Y244-Y247 HydrophobicContact CD2-CE1 4.5Å; Y244-Y247 AromaticContact CE2-CD1 3.8Å; Y244-Y247 HydrophobicContact CE2-CD1 3.8Å; Y244-Y247 HydrophobicContact CE2-CE1 4.02Å; Y244-Y247 WeakPolarHBondContact O-CB 3.34Å; Y244-Y247 PolarHBondContact O-N 3.02Å; Y244-F248 VanDerWaalsContact O-CB 3.25Å; Y244-F248 WeakPolarHBondContact O-CB 3.39Å; Y244-F248 PolarHBondContact O-N 3.24Å
245L97.9Very high94.1Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-63.7-43.3174.8177.561000111.6L227 L241 A242 D243 F248 C249 F306 F310 L315L227-L245 HydrophobicContact CD1-CB 4.23Å; L227-L245 HydrophobicContact CD1-CD1 4.29Å; L227-L245 HydrophobicContact CD2-CB 4.04Å; L241-L245 WeakPolarHBondContact O-CB 3.26Å; L241-L245 PolarHBondContact O-N 3.49Å; A242-L245 WeakPolarHBondContact O-CB 3.46Å; A242-L245 PolarHBondContact O-N 3.42Å; D243-L245 VanDerWaalsContact C-N 3.28Å; D243-L245 PolarHBondContact O-N 2.92Å; L245-F248 PolarHBondContact O-N 2.93Å; L245-C249 WeakPolarHBondContact O-CB 3.2Å; L245-C249 PolarHBondContact O-N 3.46Å; L245-C249 PolarHBondContact O-SG 3.39Å; L245-C249 VanDerWaalsContact O-SG 3.39Å; L245-F306 HydrophobicContact CB-CE1 4.26Å; L245-F306 HydrophobicContact CB-CZ 4.43Å; L245-F306 HydrophobicContact CD2-CD1 4.22Å; L245-F306 HydrophobicContact CD2-CD2 4.11Å; L245-F306 HydrophobicContact CD2-CE1 3.98Å; L245-F306 HydrophobicContact CD2-CE2 3.86Å; L245-F306 HydrophobicContact CD2-CG 4.28Å; L245-F306 HydrophobicContact CD2-CZ 3.79Å; L245-F306 HydrophobicContact CG-CE1 4.07Å; L245-F306 HydrophobicContact CG-CE2 4.25Å; L245-F306 HydrophobicContact CG-CZ 3.79Å; L245-F310 HydrophobicContact CD1-CB 3.92Å; L245-F310 HydrophobicContact CD1-CD2 3.45Å; L245-F310 VanDerWaalsContact CD1-CD2 3.45Å; L245-F310 HydrophobicContact CD1-CE2 4.06Å; L245-F310 HydrophobicContact CD1-CG 3.77Å; L245-F310 HydrophobicContact CD2-CB 3.66Å; L245-F310 HydrophobicContact CD2-CG 4.34Å; L245-F310 HydrophobicContact CG-CB 4.46Å; L245-L315 HydrophobicContact CD1-CD1 4.17Å; L245-L315 HydrophobicContact CD2-CD1 3.99Å; L245-L315 HydrophobicContact CG-CD1 4.3Å
246L97.4Very high94.6Very high0 Ų031.9 Ų31.90%017%0.169CC..Hα-helixtrans-60.2-50.8175.8-176.462000110.9A242 D243 F248 C249 N250 Y257 C267 I270 V273 F306A242-L246 PolarHBondContact O-N 2.84Å; D243-L246 WeakPolarHBondContact O-CB 3.2Å; D243-L246 PolarHBondContact O-N 2.91Å; L246-F248 VanDerWaalsContact C-N 3.32Å; L246-F248 PolarHBondContact O-N 3.41Å; L246-C249 PolarHBondContact O-N 3.38Å; L246-N250 PolarHBondContact O-N 2.94Å; L246-N250 PolarHBondContact O-ND2 3.33Å; L246-Y257 HydrophobicContact CD1-CD2 3.98Å; L246-Y257 HydrophobicContact CD1-CE1 4.2Å; L246-Y257 HydrophobicContact CD1-CE2 3.54Å; L246-C267 WeakPolarHBondContact CD1-O 3.44Å; L246-I270 HydrophobicContact CB-CD1 4.37Å; L246-I270 HydrophobicContact CD2-CB 4.25Å; L246-I270 HydrophobicContact CD2-CD1 4.21Å; L246-V273 HydrophobicContact CD1-CG2 4.35Å; L246-V273 HydrophobicContact CD2-CG2 3.92Å; L246-F306 HydrophobicContact CB-CE1 4.13Å; L246-F306 HydrophobicContact CB-CZ 4.5Å
247Y95.9Very high94.9Very high11 Ų1131.4 Ų31.44%0.04317%0.166CC..Hα-helixtrans-51.6-50.7173.7164.2-109.2000112R10 R11 H12 F13 D243 Y244 N250 R251R10-Y247 HydrophobicContact CG-CD2 3.39Å; R10-Y247 HydrophobicContact CG-CE2 3.84Å; R10-Y247 HydrophobicContact CG-CG 4.46Å; R11-Y247 PolarHBondContact O-OH 3.19Å; H12-Y247 WeakPolarHBondContact CA-OH 3.48Å; F13-Y247 HydrophobicContact CB-CD1 3.77Å; F13-Y247 HydrophobicContact CB-CD2 4.48Å; F13-Y247 HydrophobicContact CB-CE1 3.61Å; F13-Y247 HydrophobicContact CB-CE2 4.31Å; F13-Y247 HydrophobicContact CB-CG 4.18Å; F13-Y247 AromaticContact CD2-CD1 3.8Å; F13-Y247 HydrophobicContact CD2-CD1 3.8Å; F13-Y247 HydrophobicContact CD2-CD2 4.36Å; F13-Y247 AromaticContact CD2-CG 3.68Å; F13-Y247 HydrophobicContact CD2-CG 3.68Å; F13-Y247 HydrophobicContact CG-CD1 4.12Å; F13-Y247 HydrophobicContact CG-CE1 4.43Å; F13-Y247 HydrophobicContact CG-CG 4.38Å; F13-Y247 PolarHBondContact N-OH 2.94Å; D243-Y247 PolarHBondContact O-N 3.46Å; Y244-Y247 AromaticContact CD2-CD1 3.89Å; Y244-Y247 HydrophobicContact CD2-CD1 3.89Å; Y244-Y247 HydrophobicContact CD2-CE1 4.5Å; Y244-Y247 AromaticContact CE2-CD1 3.8Å; Y244-Y247 HydrophobicContact CE2-CD1 3.8Å; Y244-Y247 HydrophobicContact CE2-CE1 4.02Å; Y244-Y247 WeakPolarHBondContact O-CB 3.34Å; Y244-Y247 PolarHBondContact O-N 3.02Å; Y247-N250 PolarHBondContact O-N 3.49Å; Y247-R251 HydrophobicContact CD2-CG 4.06Å; Y247-R251 HydrophobicContact CE2-CG 3.6Å; Y247-R251 WeakPolarHBondContact O-CB 3.48Å; Y247-R251 PolarHBondContact O-N 2.86Å; Y247-R251 WeakPolarHBondContact OH-CD 3.32Å
248F95.5Very high95.1Very high11 Ų1131.1 Ų31.15%0.04816%0.159CC..Hα-helixtrans-62.2-45.2-178.5172.9-94.8000111.7Y244 L245 L246 R251 Q252 F319 L320Y244-F248 VanDerWaalsContact O-CB 3.25Å; Y244-F248 WeakPolarHBondContact O-CB 3.39Å; Y244-F248 PolarHBondContact O-N 3.24Å; L245-F248 PolarHBondContact O-N 2.93Å; L246-F248 VanDerWaalsContact C-N 3.32Å; L246-F248 PolarHBondContact O-N 3.41Å; F248-R251 PolarHBondContact O-N 2.64Å; F248-Q252 HydrophobicContact CD2-CG 4.31Å; F248-Q252 HydrophobicContact CE1-CG 4.31Å; F248-Q252 HydrophobicContact CE2-CG 3.81Å; F248-Q252 HydrophobicContact CZ-CG 3.79Å; F248-Q252 WeakPolarHBondContact O-CG 3.36Å; F248-Q252 PolarHBondContact O-N 2.9Å; F248-F319 WeakPolarHBondContact CZ-O 3.39Å; F248-L320 HydrophobicContact CD1-CD2 3.82Å; F248-L320 HydrophobicContact CD2-CD2 3.91Å; F248-L320 HydrophobicContact CE1-CD2 3.75Å; F248-L320 HydrophobicContact CE2-CD2 3.84Å; F248-L320 HydrophobicContact CG-CD2 3.91Å; F248-L320 HydrophobicContact CZ-CD2 3.78Å
249C95.6Very high95.2Very high3 Ų334.6 Ų34.62%0.0218%0.184CC..Hα-helixtrans-58.8-49.2176.1-76.90000111.5L245 L246 R251 Q252 D253 R254 Y257L245-C249 WeakPolarHBondContact O-CB 3.2Å; L245-C249 PolarHBondContact O-N 3.46Å; L245-C249 PolarHBondContact O-SG 3.39Å; L245-C249 VanDerWaalsContact O-SG 3.39Å; L246-C249 PolarHBondContact O-N 3.38Å; C249-R251 PolarHBondContact O-N 3.18Å; C249-Q252 PolarHBondContact O-N 3.39Å; C249-D253 PolarHBondContact O-N 2.81Å; C249-R254 HydrophobicContact CB-CB 4.49Å; C249-R254 PolarHBondContact O-N 3.38Å; C249-Y257 HydrophobicContact CB-CD1 3.7Å; C249-Y257 HydrophobicContact CB-CE1 4.03Å
250N95.1Very high95.2Very high10 Ų1034.9 Ų34.95%0.05319%0.185CC..Hα-helixtrans-61-44.4178.8-73.8-22.5000111.7L9 L246 Y247 Q252 D253 Y257 C267 D268L9-N250 HydrophobicContact CD1-CB 4.3Å; L9-N250 HydrophobicContact CD2-CB 4.32Å; L246-N250 PolarHBondContact O-N 2.94Å; L246-N250 PolarHBondContact O-ND2 3.33Å; Y247-N250 PolarHBondContact O-N 3.49Å; N250-Q252 PolarHBondContact O-N 3.34Å; N250-D253 PolarHBondContact O-N 3.01Å; N250-D253 VanDerWaalsContact O-N 3.13Å; N250-Y257 VanDerWaalsContact OD1-CE1 3.28Å; N250-Y257 WeakPolarHBondContact OD1-CE1 3.15Å; N250-Y257 PolarHBondContact OD1-OH 3.36Å; N250-C267 PolarHBondContact ND2-O 2.92Å; N250-D268 PolarHBondContact ND2-OD1 3.4Å; N250-D268 VanDerWaalsContact ND2-OD1 3.13Å
251R92Very high95.2Very high122 Ų12233.9 Ų33.946%0.4618%0.18SC..Hα-helixtrans-64.4-23179-92.7-155.363.7107.73.5115.5R11 Y247 F248 C249R11-R251 PolarHBondContact O-NH1 2.71Å; Y247-R251 HydrophobicContact CD2-CG 4.06Å; Y247-R251 HydrophobicContact CE2-CG 3.6Å; Y247-R251 WeakPolarHBondContact O-CB 3.48Å; Y247-R251 PolarHBondContact O-N 2.86Å; Y247-R251 WeakPolarHBondContact OH-CD 3.32Å; F248-R251 PolarHBondContact O-N 2.64Å; C249-R251 PolarHBondContact O-N 3.18Å
252Q90.2Very high95.2Very high53 Ų5340 Ų4025%0.24821%0.209CC..THydrogen-bonded Turntrans-100.812.1179.2-64.1-63.9-45.900111.9F248 C249 N250 R254F248-Q252 HydrophobicContact CD2-CG 4.31Å; F248-Q252 HydrophobicContact CE1-CG 4.31Å; F248-Q252 HydrophobicContact CE2-CG 3.81Å; F248-Q252 HydrophobicContact CZ-CG 3.79Å; F248-Q252 WeakPolarHBondContact O-CG 3.36Å; F248-Q252 PolarHBondContact O-N 2.9Å; C249-Q252 PolarHBondContact O-N 3.39Å; N250-Q252 PolarHBondContact O-N 3.34Å; Q252-R254 HydrophobicContact CB-CG 3.81Å; Q252-R254 WeakPolarHBondContact O-CG 3.49Å; Q252-R254 PolarHBondContact O-N 2.66Å; Q252-R254 VanDerWaalsContact O-N 3.15Å
253D89.5Confident95Very high148 Ų14841.2 Ų41.279%0.79122%0.215SC*.THydrogen-bonded Turntrans5331.3-173.8-61.8-50.6000112.9C249 N250 S255C249-D253 PolarHBondContact O-N 2.81Å; N250-D253 PolarHBondContact O-N 3.01Å; N250-D253 VanDerWaalsContact O-N 3.13Å; D253-S255 PolarHBondContact O-N 3.45Å
254R89.5Confident94.8Very high40 Ų4047.8 Ų47.815%0.15125%0.25CS..  trans-94.592.7-178.1-65.7-179.5-172.9162.99.3110.2C249 Q252 A256 Y257 D317C249-R254 HydrophobicContact CB-CB 4.49Å; C249-R254 PolarHBondContact O-N 3.38Å; Q252-R254 HydrophobicContact CB-CG 3.81Å; Q252-R254 WeakPolarHBondContact O-CG 3.49Å; Q252-R254 PolarHBondContact O-N 2.66Å; Q252-R254 VanDerWaalsContact O-N 3.15Å; R254-A256 VanDerWaalsContact C-N 3.28Å; R254-A256 PolarHBondContact O-N 3.07Å; R254-Y257 WeakPolarHBondContact O-CD1 3.3Å; R254-D317 VanDerWaalsContact NH1-C 3.32Å; R254-D317 PolarHBondContact NH1-O 2.91Å
255S92Very high94.7Very high65 Ų6552.3 Ų52.346%0.45527%0.274SS..THydrogen-bonded Turntrans-85.310.7179.372.30000114.6D253 Y257 V258D253-S255 PolarHBondContact O-N 3.45Å; S255-Y257 PolarHBondContact O-N 3.12Å; S255-V258 WeakPolarHBondContact O-CB 3.19Å; S255-V258 PolarHBondContact O-N 2.83Å
256A95.7Very high94.5Very high31 Ų3154 Ų5426%0.25629%0.285SS..Hα-helixtrans-59.9-30.6-178.800000112.4R254 V258 S259 Q260R254-A256 VanDerWaalsContact C-N 3.28Å; R254-A256 PolarHBondContact O-N 3.07Å; A256-V258 VanDerWaalsContact C-N 3.26Å; A256-V258 PolarHBondContact O-N 2.86Å; A256-S259 PolarHBondContact O-N 2.88Å; A256-S259 PolarHBondContact O-OG 2.84Å; A256-S259 VanDerWaalsContact O-OG 3.1Å; A256-Q260 WeakPolarHBondContact O-CB 3.48Å; A256-Q260 WeakPolarHBondContact O-CG 3.48Å; A256-Q260 PolarHBondContact O-N 2.88Å; A256-Q260 VanDerWaalsContact O-N 3.09Å
257Y96.5Very high94.3Very high0 Ų054.8 Ų54.80%029%0.29CS..Hα-helixtrans-63.2-31.6176.176.5-91.2000112.5L246 C249 N250 R254 S255 S259 Q260 L261 L263 T266 C267L246-Y257 HydrophobicContact CD1-CD2 3.98Å; L246-Y257 HydrophobicContact CD1-CE1 4.2Å; L246-Y257 HydrophobicContact CD1-CE2 3.54Å; C249-Y257 HydrophobicContact CB-CD1 3.7Å; C249-Y257 HydrophobicContact CB-CE1 4.03Å; N250-Y257 VanDerWaalsContact OD1-CE1 3.28Å; N250-Y257 WeakPolarHBondContact OD1-CE1 3.15Å; N250-Y257 PolarHBondContact OD1-OH 3.36Å; R254-Y257 WeakPolarHBondContact O-CD1 3.3Å; S255-Y257 PolarHBondContact O-N 3.12Å; Y257-S259 PolarHBondContact O-N 3.28Å; Y257-Q260 PolarHBondContact O-N 3.4Å; Y257-L261 HydrophobicContact CD2-CD1 4.22Å; Y257-L261 WeakPolarHBondContact O-CB 3.25Å; Y257-L261 VanDerWaalsContact O-CG 3.23Å; Y257-L261 WeakPolarHBondContact O-CG 3.45Å; Y257-L261 PolarHBondContact O-N 3.36Å; Y257-L263 HydrophobicContact CD2-CD1 3.84Å; Y257-L263 HydrophobicContact CE2-CD1 3.71Å; Y257-T266 WeakPolarHBondContact OH-CA 3.43Å; Y257-T266 WeakPolarHBondContact OH-CB 3.48Å; Y257-C267 PolarHBondContact OH-N 2.99Å; Y257-C267 PolarHBondContact OH-O 3.23Å; Y257-C267 VanDerWaalsContact OH-O 3.13Å
258V96.7Very high94.2Very high20 Ų2055.9 Ų55.912%0.12130%0.297CS..Hα-helixtrans-60.2-50-179.9177.10000109.9S255 A256 Q262 L263 T266S255-V258 WeakPolarHBondContact O-CB 3.19Å; S255-V258 PolarHBondContact O-N 2.83Å; A256-V258 VanDerWaalsContact C-N 3.26Å; A256-V258 PolarHBondContact O-N 2.86Å; V258-Q262 CarbonylContact O-C 3.59Å; V258-Q262 WeakPolarHBondContact O-CA 3.48Å; V258-Q262 PolarHBondContact O-N 3.09Å; V258-L263 HydrophobicContact CG1-CB 4.04Å; V258-L263 VanDerWaalsContact CG1-O 3.27Å; V258-L263 WeakPolarHBondContact CG1-O 3.38Å; V258-L263 PolarHBondContact O-N 3.33Å; V258-T266 HydrophobicContact CG2-CG2 3.73Å
259S96.7Very high94.2Very high83 Ų8359 Ų5958%0.5831%0.314SS*.Hα-helixtrans-71.7-39.2178.660.20000112.6A256 Y257 L261 Q262A256-S259 PolarHBondContact O-N 2.88Å; A256-S259 PolarHBondContact O-OG 2.84Å; A256-S259 VanDerWaalsContact O-OG 3.1Å; Y257-S259 PolarHBondContact O-N 3.28Å; S259-L261 VanDerWaalsContact C-N 3.33Å; S259-L261 PolarHBondContact O-N 3.3Å; S259-Q262 PolarHBondContact O-N 3.42Å
260Q96.8Very high94.2Very high84 Ų8459.9 Ų59.939%0.39332%0.318SS..Hα-helixtrans-65.9-35.3179-67.1-65.3-50.300112.6A256 Y257 L309 L315A256-Q260 WeakPolarHBondContact O-CB 3.48Å; A256-Q260 WeakPolarHBondContact O-CG 3.48Å; A256-Q260 PolarHBondContact O-N 2.88Å; A256-Q260 VanDerWaalsContact O-N 3.09Å; Y257-Q260 PolarHBondContact O-N 3.4Å; Q260-L309 HydrophobicContact CB-CD1 3.9Å; Q260-L315 HydrophobicContact CB-CD2 4.26Å; Q260-L315 HydrophobicContact CG-CD2 4.1Å
261L96.8Very high94.3Very high3 Ų363.1 Ų63.12%0.01634%0.335CS..Hα-helixtrans-88.7-12.5176.7-60.8-178.2000112.7Y257 S259 L263 V273 H276 L277 K280 F306 L309Y257-L261 HydrophobicContact CD2-CD1 4.22Å; Y257-L261 WeakPolarHBondContact O-CB 3.25Å; Y257-L261 VanDerWaalsContact O-CG 3.23Å; Y257-L261 WeakPolarHBondContact O-CG 3.45Å; Y257-L261 PolarHBondContact O-N 3.36Å; S259-L261 VanDerWaalsContact C-N 3.33Å; S259-L261 PolarHBondContact O-N 3.3Å; L261-L263 HydrophobicContact CB-CD1 4.17Å; L261-L263 HydrophobicContact CB-CG 4Å; L261-L263 HydrophobicContact CD1-CD1 4.18Å; L261-V273 HydrophobicContact CD1-CG1 3.62Å; L261-H276 PolarHBondContact O-NE2 3.19Å; L261-L277 HydrophobicContact CD2-CD1 4.05Å; L261-L277 HydrophobicContact CD2-CD2 3.87Å; L261-K280 PolarHBondContact O-NZ 3.28Å; L261-F306 HydrophobicContact CD1-CD2 3.81Å; L261-F306 HydrophobicContact CD1-CE2 3.98Å; L261-F306 HydrophobicContact CD1-CG 4.22Å; L261-F306 HydrophobicContact CD2-CD2 4.18Å; L261-F306 HydrophobicContact CG-CD2 4.34Å; L261-L309 HydrophobicContact CD2-CD1 3.53Å; L261-L309 HydrophobicContact CG-CD1 4.3Å
262Q96.1Very high94.6Very high129 Ų12965.3 Ų65.360%0.60334%0.344SS*.THydrogen-bonded Turntrans57.852.9-172.2-57167.515.300111.5V258 S259 H276 K280V258-Q262 CarbonylContact O-C 3.59Å; V258-Q262 WeakPolarHBondContact O-CA 3.48Å; V258-Q262 PolarHBondContact O-N 3.09Å; S259-Q262 PolarHBondContact O-N 3.42Å; Q262-H276 PolarHBondContact O-CE1 3.13Å; Q262-H276 VanDerWaalsContact O-CE1 3.29Å; Q262-H276 PolarHBondContact O-NE2 2.93Å; Q262-K280 VanDerWaalsContact CD-CE 3.42Å; Q262-K280 VanDerWaalsContact CG-NZ 3.35Å; Q262-K280 VanDerWaalsContact NE2-NZ 3.2Å; Q262-K280 VanDerWaalsContact OE1-NZ 3.14Å
263L95.5Very high94.9Very high25 Ų2562.8 Ų62.813%0.13133%0.332CS..  trans-87.4151.1169.5-63.2167.3000109.3Y257 V258 L261 V273 H276Y257-L263 HydrophobicContact CD2-CD1 3.84Å; Y257-L263 HydrophobicContact CE2-CD1 3.71Å; V258-L263 HydrophobicContact CG1-CB 4.04Å; V258-L263 VanDerWaalsContact CG1-O 3.27Å; V258-L263 WeakPolarHBondContact CG1-O 3.38Å; V258-L263 PolarHBondContact O-N 3.33Å; L261-L263 HydrophobicContact CB-CD1 4.17Å; L261-L263 HydrophobicContact CB-CG 4Å; L261-L263 HydrophobicContact CD1-CD1 4.18Å; L263-V273 HydrophobicContact CD1-CG1 4.4Å; L263-V273 HydrophobicContact CD1-CG2 4.07Å; L263-H276 HydrophobicContact CD2-CB 4.16Å; L263-H276 WeakPolarHBondContact CD2-CD2 3.46Å
264D93.4Very high95.3Very high162 Ų16255.7 Ų55.787%0.86629%0.294SS*.SBendtrans-67.3-37.9178.5-62.5-36.6000112.4
265D93.6Very high95.8Very high98 Ų9860 Ų6052%0.52431%0.31SS..SBendtrans-151.6176178.4-154.9-14.3000110.1
266T93.3Very high96Very high37 Ų3759.7 Ų59.723%0.22730%0.302CS..  trans-57.1143.9169.353.70000111.6V6 Y257 V258V6-T266 WeakPolarHBondContact CG2-OG1 3.29Å; Y257-T266 WeakPolarHBondContact OH-CA 3.43Å; Y257-T266 WeakPolarHBondContact OH-CB 3.48Å; V258-T266 HydrophobicContact CG2-CG2 3.73Å
267C93.2Very high96.2Very high16 Ų1658.5 Ų58.511%0.10829%0.291CS..  trans-140.7144.7-176.3-171.60000108.8L246 N250 Y257 V273L246-C267 WeakPolarHBondContact CD1-O 3.44Å; N250-C267 PolarHBondContact ND2-O 2.92Å; Y257-C267 PolarHBondContact OH-N 2.99Å; Y257-C267 PolarHBondContact OH-O 3.23Å; Y257-C267 VanDerWaalsContact OH-O 3.13Å; C267-V273 HydrophobicContact CB-CG2 3.84Å
268D93.9Very high96.2Very high33 Ų3358.5 Ų58.518%0.17629%0.291CS..  trans-12113.3174.2-160.540.9000113L9 R10 N250L9-D268 HydrophobicContact CD2-CB 3.74Å; R10-D268 VanDerWaalsContact CB-OD2 3.25Å; R10-D268 WeakPolarHBondContact CB-OD2 3.37Å; R10-D268 WeakPolarHBondContact CG-OD2 3.46Å; R10-D268 IonicContact CZ-OD1 2.61Å; R10-D268 PolarHBondContact N-OD2 3.33Å; R10-D268 IonicContact NE-OD1 2.79Å; R10-D268 PolarHBondContact NE-OD1 3.32Å; R10-D268 IonicContact NE-OD2 2.69Å; R10-D268 PolarHBondContact NE-OD2 3.22Å; R10-D268 IonicContact NH2-OD1 2.63Å; R10-D268 PolarHBondContact NH2-OD1 3.4Å; R10-D268 VanDerWaalsContact NH2-OD1 3.13Å; N250-D268 PolarHBondContact ND2-OD1 3.4Å; N250-D268 VanDerWaalsContact ND2-OD1 3.13Å
269D95.4Very high96.3Very high78 Ų7863.3 Ų63.342%0.41731%0.312SS..  trans-102.2105.7171.2178.1-9.9000108.6D271 R272 V273D269-D271 VanDerWaalsContact C-N 3.28Å; D269-D271 PolarHBondContact O-N 2.92Å; D269-D271 WeakPolarHBondContact OD1-CB 3.39Å; D269-D271 PolarHBondContact OD1-N 3.11Å; D269-R272 HydrophobicContact CB-CB 4.01Å; D269-R272 PolarHBondContact O-N 3.01Å; D269-R272 PolarHBondContact OD1-N 3.12Å; D269-V273 WeakPolarHBondContact O-CG2 3.33Å; D269-V273 PolarHBondContact O-N 3.08Å; D269-V273 VanDerWaalsContact O-N 3.1Å
270I96.9Very high96.3Very high21 Ų2162.7 Ų62.711%0.10830%0.299CS..Hα-helixtrans-62.6-35.3179.8-172.359.1000112.2A242 D243 L246 R272 V273 L274 F306A242-I270 HydrophobicContact CB-CD1 3.97Å; A242-I270 HydrophobicContact CB-CG1 4.5Å; D243-I270 HydrophobicContact CB-CB 3.94Å; D243-I270 HydrophobicContact CB-CG1 3.88Å; D243-I270 HydrophobicContact CB-CG2 3.87Å; D243-I270 WeakPolarHBondContact OD1-CB 2.98Å; D243-I270 WeakPolarHBondContact OD1-CG2 3.31Å; L246-I270 HydrophobicContact CB-CD1 4.37Å; L246-I270 HydrophobicContact CD2-CB 4.25Å; L246-I270 HydrophobicContact CD2-CD1 4.21Å; I270-R272 VanDerWaalsContact C-N 3.32Å; I270-R272 PolarHBondContact O-N 2.93Å; I270-V273 PolarHBondContact O-N 3.41Å; I270-L274 HydrophobicContact CD1-CD1 4.21Å; I270-L274 HydrophobicContact CD1-CD2 4.1Å; I270-L274 HydrophobicContact CD1-CG 3.84Å; I270-L274 HydrophobicContact CG1-CD1 3.85Å; I270-L274 HydrophobicContact CG1-CG 3.92Å; I270-L274 WeakPolarHBondContact O-CB 3.46Å; I270-L274 VanDerWaalsContact O-CG 3.26Å; I270-L274 WeakPolarHBondContact O-CG 3.4Å; I270-L274 PolarHBondContact O-N 3.45Å; I270-F306 HydrophobicContact CD1-CD1 4.47Å; I270-F306 HydrophobicContact CD1-CE1 4.47Å
271D97Very high96.3Very high77 Ų7762.7 Ų62.741%0.41230%0.299SS..Hα-helixtrans-65.7-40.6-179.2-72.6-25.8000110.5D269 L274 R275D269-D271 VanDerWaalsContact C-N 3.28Å; D269-D271 PolarHBondContact O-N 2.92Å; D269-D271 WeakPolarHBondContact OD1-CB 3.39Å; D269-D271 PolarHBondContact OD1-N 3.11Å; D271-L274 PolarHBondContact O-N 2.97Å; D271-R275 WeakPolarHBondContact O-CB 3.49Å; D271-R275 VanDerWaalsContact O-CG 3.26Å; D271-R275 WeakPolarHBondContact O-CG 3.28Å; D271-R275 PolarHBondContact O-N 2.91Å
272R97.1Very high96.3Very high168 Ų16869.9 Ų69.963%0.63433%0.333SS*.Hα-helixtrans-63.3-44.4174.1-175.3173.9175.4176-2.9111.5D269 I270 H276D269-R272 HydrophobicContact CB-CB 4.01Å; D269-R272 PolarHBondContact O-N 3.01Å; D269-R272 PolarHBondContact OD1-N 3.12Å; I270-R272 VanDerWaalsContact C-N 3.32Å; I270-R272 PolarHBondContact O-N 2.93Å; R272-H276 WeakPolarHBondContact O-CB 3.27Å; R272-H276 PolarHBondContact O-N 2.67Å
273V98Very high96.3Very high0 Ų064.9 Ų64.90%031%0.31CS..Hα-helixtrans-61.9-45.2177.7171.70000111.5L246 L261 L263 C267 D269 I270 L277L246-V273 HydrophobicContact CD1-CG2 4.35Å; L246-V273 HydrophobicContact CD2-CG2 3.92Å; L261-V273 HydrophobicContact CD1-CG1 3.62Å; L263-V273 HydrophobicContact CD1-CG1 4.4Å; L263-V273 HydrophobicContact CD1-CG2 4.07Å; C267-V273 HydrophobicContact CB-CG2 3.84Å; D269-V273 WeakPolarHBondContact O-CG2 3.33Å; D269-V273 PolarHBondContact O-N 3.08Å; D269-V273 VanDerWaalsContact O-N 3.1Å; I270-V273 PolarHBondContact O-N 3.41Å; V273-L277 WeakPolarHBondContact O-CB 3.45Å; V273-L277 PolarHBondContact O-N 2.59Å
274L98.4Very high96.4Very high0 Ų070.1 Ų70.10%033%0.332CS..Hα-helixtrans-71.7-39.3-178.1-66-176.2000112.5E239 A242 I270 D271 L277 A278 T299 A302 A303E239-L274 HydrophobicContact CB-CD1 4.34Å; E239-L274 HydrophobicContact CG-CD1 4Å; A242-L274 HydrophobicContact CB-CD2 4.39Å; I270-L274 HydrophobicContact CD1-CD1 4.21Å; I270-L274 HydrophobicContact CD1-CD2 4.1Å; I270-L274 HydrophobicContact CD1-CG 3.84Å; I270-L274 HydrophobicContact CG1-CD1 3.85Å; I270-L274 HydrophobicContact CG1-CG 3.92Å; I270-L274 WeakPolarHBondContact O-CB 3.46Å; I270-L274 VanDerWaalsContact O-CG 3.26Å; I270-L274 WeakPolarHBondContact O-CG 3.4Å; I270-L274 PolarHBondContact O-N 3.45Å; D271-L274 PolarHBondContact O-N 2.97Å; L274-L277 PolarHBondContact O-N 3.34Å; L274-A278 VanDerWaalsContact O-CB 3.28Å; L274-A278 WeakPolarHBondContact O-CB 3.36Å; L274-A278 PolarHBondContact O-N 3.13Å; L274-T299 HydrophobicContact CB-CG2 4.31Å; L274-A302 HydrophobicContact CB-CB 4.45Å; L274-A302 HydrophobicContact CD2-CB 4.22Å; L274-A302 WeakPolarHBondContact O-CB 3.35Å; L274-A303 HydrophobicContact CD1-CB 3.97Å; L274-A303 HydrophobicContact CD2-CB 3.84Å
275R98Very high96.5Very high129 Ų12966 Ų6649%0.48731%0.306SS..Hα-helixtrans-62.9-47.4174.3-74.9-179-176.11166.4111.4D271 L277 A278 E279 L297 T299D271-R275 WeakPolarHBondContact O-CB 3.49Å; D271-R275 VanDerWaalsContact O-CG 3.26Å; D271-R275 WeakPolarHBondContact O-CG 3.28Å; D271-R275 PolarHBondContact O-N 2.91Å; R275-L277 VanDerWaalsContact C-N 3.32Å; R275-L277 PolarHBondContact O-N 3.39Å; R275-A278 PolarHBondContact O-N 2.89Å; R275-A278 VanDerWaalsContact O-N 3.16Å; R275-E279 WeakPolarHBondContact O-CG 3.35Å; R275-E279 PolarHBondContact O-N 3.46Å; R275-L297 HydrophobicContact CB-CD1 4.43Å; R275-L297 HydrophobicContact CG-CD1 4.43Å; R275-T299 HydrophobicContact CG-CG2 4.34Å
276H98Very high96.5Very high59 Ų5971.1 Ų71.127%0.27332%0.318SS..Hα-helixtrans-53.5-50.2174.3172.885.5000111.6L261 Q262 L263 R272 A278 E279 K280L261-H276 PolarHBondContact O-NE2 3.19Å; Q262-H276 PolarHBondContact O-CE1 3.13Å; Q262-H276 VanDerWaalsContact O-CE1 3.29Å; Q262-H276 PolarHBondContact O-NE2 2.93Å; L263-H276 HydrophobicContact CD2-CB 4.16Å; L263-H276 WeakPolarHBondContact CD2-CD2 3.46Å; R272-H276 WeakPolarHBondContact O-CB 3.27Å; R272-H276 PolarHBondContact O-N 2.67Å; H276-A278 PolarHBondContact O-N 3.35Å; H276-E279 PolarHBondContact O-N 2.97Å; H276-K280 VanDerWaalsContact O-CB 3.24Å; H276-K280 WeakPolarHBondContact O-CB 3.2Å; H276-K280 PolarHBondContact O-N 3.27Å
277L98Very high96.5Very high6 Ų671.7 Ų71.73%0.03132%0.319CS..Hα-helixtrans-65.1-38.6179.8-177.860.9000112.2L261 V273 L274 R275 E281 A302 K305 F306L261-L277 HydrophobicContact CD2-CD1 4.05Å; L261-L277 HydrophobicContact CD2-CD2 3.87Å; V273-L277 WeakPolarHBondContact O-CB 3.45Å; V273-L277 PolarHBondContact O-N 2.59Å; L274-L277 PolarHBondContact O-N 3.34Å; R275-L277 VanDerWaalsContact C-N 3.32Å; R275-L277 PolarHBondContact O-N 3.39Å; L277-E281 HydrophobicContact CD1-CG 3.74Å; L277-E281 HydrophobicContact CG-CG 4.46Å; L277-E281 VanDerWaalsContact O-CB 3.28Å; L277-E281 WeakPolarHBondContact O-CB 3.26Å; L277-E281 WeakPolarHBondContact O-CG 3.42Å; L277-E281 PolarHBondContact O-N 3.24Å; L277-A302 HydrophobicContact CB-CB 4.18Å; L277-A302 HydrophobicContact CD2-CB 4.04Å; L277-A302 VanDerWaalsContact CD2-O 3.27Å; L277-A302 WeakPolarHBondContact CD2-O 3.28Å; L277-A302 HydrophobicContact CG-CB 4.1Å; L277-K305 HydrophobicContact CD2-CB 4.21Å; L277-F306 HydrophobicContact CD2-CB 4.27Å
278A98.1Very high96.5Very high0 Ų075.8 Ų75.80%034%0.343CS..Hα-helixtrans-67-41.3178.200000112.4L274 R275 H276 E282 L283 L297 A302L274-A278 VanDerWaalsContact O-CB 3.28Å; L274-A278 WeakPolarHBondContact O-CB 3.36Å; L274-A278 PolarHBondContact O-N 3.13Å; R275-A278 PolarHBondContact O-N 2.89Å; R275-A278 VanDerWaalsContact O-N 3.16Å; H276-A278 PolarHBondContact O-N 3.35Å; A278-E282 CarbonylContact O-C 3.56Å; A278-E282 WeakPolarHBondContact O-CA 3.41Å; A278-E282 PolarHBondContact O-N 2.87Å; A278-E282 VanDerWaalsContact O-N 3.11Å; A278-L283 HydrophobicContact CB-CB 4.25Å; A278-L283 PolarHBondContact O-N 3.15Å; A278-L297 HydrophobicContact CB-CB 4.01Å; A278-L297 HydrophobicContact CB-CD2 4.22Å; A278-A302 HydrophobicContact CB-CB 4.11Å
279E97.7Very high96.3Very high122 Ų12277.7 Ų77.757%0.5735%0.353SS*.Hα-helixtrans-64.3-51.6175.9-73172.4176.500111.1R275 H276 E281 E282 L297R275-E279 WeakPolarHBondContact O-CG 3.35Å; R275-E279 PolarHBondContact O-N 3.46Å; H276-E279 PolarHBondContact O-N 2.97Å; E279-E281 VanDerWaalsContact C-N 3.3Å; E279-E281 PolarHBondContact O-N 3.48Å; E279-E282 PolarHBondContact O-N 3.4Å; E279-E282 VanDerWaalsContact O-N 3.13Å; E279-L297 HydrophobicContact CG-CD1 3.59Å; E279-L297 HydrophobicContact CG-CD2 3.82Å; E279-L297 HydrophobicContact CG-CG 4.36Å
280K96.6Very high96.1Very high69 Ų6985 Ų8530%0.338%0.377SS..Hα-helixtrans-57.4-41.8-179.4177.1-170.8168.6-165.90113L261 Q262 H276 E282L261-K280 PolarHBondContact O-NZ 3.28Å; Q262-K280 VanDerWaalsContact CD-CE 3.42Å; Q262-K280 VanDerWaalsContact CG-NZ 3.35Å; Q262-K280 VanDerWaalsContact NE2-NZ 3.2Å; Q262-K280 VanDerWaalsContact OE1-NZ 3.14Å; H276-K280 VanDerWaalsContact O-CB 3.24Å; H276-K280 WeakPolarHBondContact O-CB 3.2Å; H276-K280 PolarHBondContact O-N 3.27Å; K280-E282 VanDerWaalsContact C-N 3.32Å
281E96.4Very high95.9Very high84 Ų8487.1 Ų87.139%0.39340%0.403SS..THydrogen-bonded Turntrans-94.59.4-176.9-63.6-78.9146.700112.6L277 E279 L283 K305L277-E281 HydrophobicContact CD1-CG 3.74Å; L277-E281 HydrophobicContact CG-CG 4.46Å; L277-E281 VanDerWaalsContact O-CB 3.28Å; L277-E281 WeakPolarHBondContact O-CB 3.26Å; L277-E281 WeakPolarHBondContact O-CG 3.42Å; L277-E281 PolarHBondContact O-N 3.24Å; E279-E281 VanDerWaalsContact C-N 3.3Å; E279-E281 PolarHBondContact O-N 3.48Å; E281-L283 HydrophobicContact CB-CD1 4.09Å; E281-L283 HydrophobicContact CB-CD2 4.34Å; E281-L283 HydrophobicContact CB-CG 3.79Å; E281-L283 PolarHBondContact O-N 3.13Å; E281-L283 VanDerWaalsContact O-N 3.14Å; E281-K305 HydrophobicContact CG-CD 4.48Å; E281-K305 IonicContact OE2-NZ 2.71Å; E281-K305 PolarHBondContact OE2-NZ 3.1Å
282E96.9Very high95.6Very high155 Ų15588.7 Ų88.772%0.72441%0.411SS*.THydrogen-bonded Turntrans51.134.5-178-56.8-173.5168.700114A278 E279 K280 K284A278-E282 CarbonylContact O-C 3.56Å; A278-E282 WeakPolarHBondContact O-CA 3.41Å; A278-E282 PolarHBondContact O-N 2.87Å; A278-E282 VanDerWaalsContact O-N 3.11Å; E279-E282 PolarHBondContact O-N 3.4Å; E279-E282 VanDerWaalsContact O-N 3.13Å; K280-E282 VanDerWaalsContact C-N 3.32Å; E282-K284 PolarHBondContact O-N 3.31Å
283L97.5Very high95.4Very high24 Ų2485.1 Ų85.113%0.12641%0.408CS..  trans-77.5108.5-179.9-57.8177000109.7A278 E281 D298 C301 A302 K305A278-L283 HydrophobicContact CB-CB 4.25Å; A278-L283 PolarHBondContact O-N 3.15Å; E281-L283 HydrophobicContact CB-CD1 4.09Å; E281-L283 HydrophobicContact CB-CD2 4.34Å; E281-L283 HydrophobicContact CB-CG 3.79Å; E281-L283 PolarHBondContact O-N 3.13Å; E281-L283 VanDerWaalsContact O-N 3.14Å; L283-D298 HydrophobicContact CB-CB 4.22Å; L283-D298 PolarHBondContact O-N 2.74Å; L283-C301 HydrophobicContact CD1-CB 4.2Å; L283-A302 HydrophobicContact CD1-CB 4.06Å; L283-K305 HydrophobicContact CD1-CD 4.08Å
284K96.9Very high95.2Very high135 Ų13589.2 Ų89.259%0.58743%0.427SS*.EExtended strand (participates in β ladder)trans-129.6144-178.1-63.3177.9-174.8174.60110.9E282 T295 L296E282-K284 PolarHBondContact O-N 3.31Å; K284-T295 HydrophobicContact CB-CG2 3.74Å; K284-T295 HydrophobicContact CD-CG2 3.89Å; K284-T295 HydrophobicContact CG-CG2 4.19Å; K284-L296 CarbonylContact C-O 3.48Å; K284-L296 VanDerWaalsContact CA-O 3.28Å; K284-L296 WeakPolarHBondContact CA-O 3.46Å
285K95.4Very high95Very high74 Ų7493 Ų9332%0.32245%0.451SS..EExtended strand (participates in β ladder)trans-122.4137.9171.762.2-177.4176.2-170.70110.3L296 D298K285-L296 PolarHBondContact N-O 3.46Å; K285-L296 PolarHBondContact O-N 2.65Å; K285-D298 HydrophobicContact CB-CB 4.11Å; K285-D298 HydrophobicContact CD-CB 4.29Å; K285-D298 HydrophobicContact CG-CB 4.13Å
286R94.1Very high94.9Very high207 Ų20790.4 Ų90.478%0.78145%0.446SS*.EExtended strand (participates in β ladder)trans-88129.7172.8-68.3-177.6-179.6178.50.6108.9T293 E294R286-T293 HydrophobicContact CB-CG2 4.21Å; R286-T293 HydrophobicContact CG-CG2 4.41Å; R286-E294 WeakPolarHBondContact CA-O 3.38Å
287I93.4Very high94.8Very high48 Ų4889.9 Ų89.925%0.24645%0.445CS..EExtended strand (participates in β ladder)trans-122.8150.6172.263.1166.4000109.1L289 T293 E294 L296I287-L289 HydrophobicContact CD1-CD1 3.64Å; I287-L289 HydrophobicContact CD1-CD2 4.3Å; I287-L289 HydrophobicContact CD1-CG 3.79Å; I287-L289 HydrophobicContact CG1-CG 4.33Å; I287-T293 CarbonylContact O-C 3.48Å; I287-T293 WeakPolarHBondContact O-CA 3.35Å; I287-E294 HydrophobicContact CG1-CB 4.08Å; I287-E294 PolarHBondContact N-O 2.94Å; I287-E294 PolarHBondContact O-N 2.85Å; I287-L296 HydrophobicContact CD1-CD1 3.39Å; I287-L296 HydrophobicContact CD1-CG 3.96Å; I287-L296 HydrophobicContact CG1-CD1 4.17Å; I287-L296 HydrophobicContact CG1-CG 4.23Å
288V93.7Very high94.8Very high102 Ų10291.2 Ų91.262%0.61845%0.452SS*.EExtended strand (participates in β ladder)trans-108.9114.4174-178.30000107.7N292V288-N292 CarbonylContact C-O 3.54Å; V288-N292 VanDerWaalsContact CA-O 3.31Å; V288-N292 WeakPolarHBondContact CA-O 3.47Å
289L88.3Confident94.8Very high73 Ų7392.5 Ų92.538%0.38246%0.46SS..EExtended strand (participates in β ladder)trans-115.9122.6175.3-65.9177.7000108.6I287 G291 N292I287-L289 HydrophobicContact CD1-CD1 3.64Å; I287-L289 HydrophobicContact CD1-CD2 4.3Å; I287-L289 HydrophobicContact CD1-CG 3.79Å; I287-L289 HydrophobicContact CG1-CG 4.33Å; L289-G291 PolarHBondContact O-N 3.14Å; L289-N292 PolarHBondContact N-O 3.23Å; L289-N292 PolarHBondContact O-N 2.88Å
290Y91.9Very high94.7Very high233 Ų23390.2 Ų90.291%0.91445%0.449SS*.THydrogen-bonded Turntrans51.134.3178.5-51.4-75.8000114.2N292Y290-N292 VanDerWaalsContact C-N 3.3Å; Y290-N292 PolarHBondContact O-N 2.82Å
291G91.4Very high94.8Very high64 Ų6488.9 Ų88.966%0.6645%0.448SS*.THydrogen-bonded Turntrans85.5-11.3-177.400000115.2L289L289-G291 PolarHBondContact O-N 3.14Å
292N91.3Very high94.9Very high110 Ų11084.9 Ų84.959%0.58843%0.43SS*.EExtended strand (participates in β ladder)trans-91.1134.3176.3-66-32.4000110.8V288 L289 Y290V288-N292 CarbonylContact C-O 3.54Å; V288-N292 VanDerWaalsContact CA-O 3.31Å; V288-N292 WeakPolarHBondContact CA-O 3.47Å; L289-N292 PolarHBondContact N-O 3.23Å; L289-N292 PolarHBondContact O-N 2.88Å; Y290-N292 VanDerWaalsContact C-N 3.3Å; Y290-N292 PolarHBondContact O-N 2.82Å
293T93.4Very high95Very high93 Ų9377.5 Ų77.557%0.57140%0.395SS*.EExtended strand (participates in β ladder)trans-86.2115.8173.1-57.80000109.5R286 I287R286-T293 HydrophobicContact CB-CG2 4.21Å; R286-T293 HydrophobicContact CG-CG2 4.41Å; I287-T293 CarbonylContact O-C 3.48Å; I287-T293 WeakPolarHBondContact O-CA 3.35Å
294E93.3Very high95Very high86 Ų8680 Ų8040%0.40241%0.405SS..EExtended strand (participates in β ladder)trans-105.5147.9171.7-66.8-175.9-175.400110R286 I287R286-E294 WeakPolarHBondContact CA-O 3.38Å; I287-E294 HydrophobicContact CG1-CB 4.08Å; I287-E294 PolarHBondContact N-O 2.94Å; I287-E294 PolarHBondContact O-N 2.85Å
295T94.4Very high95.1Very high81 Ų8177.2 Ų77.250%0.49739%0.393SS..EExtended strand (participates in β ladder)trans-111.3114.1173.9-59.70000108.2K284K284-T295 HydrophobicContact CB-CG2 3.74Å; K284-T295 HydrophobicContact CD-CG2 3.89Å; K284-T295 HydrophobicContact CG-CG2 4.19Å
296L95.3Very high95.2Very high74 Ų7473.7 Ų73.739%0.38738%0.377SS..EExtended strand (participates in β ladder)trans-109160.2178.2-58.2-173.9000110.6K284 K285 I287K284-L296 CarbonylContact C-O 3.48Å; K284-L296 VanDerWaalsContact CA-O 3.28Å; K284-L296 WeakPolarHBondContact CA-O 3.46Å; K285-L296 PolarHBondContact N-O 3.46Å; K285-L296 PolarHBondContact O-N 2.65Å; I287-L296 HydrophobicContact CD1-CD1 3.39Å; I287-L296 HydrophobicContact CD1-CG 3.96Å; I287-L296 HydrophobicContact CG1-CD1 4.17Å; I287-L296 HydrophobicContact CG1-CG 4.23Å
297L97Very high95.4Very high48 Ų4863.8 Ų63.825%0.25134%0.34SS..EExtended strand (participates in β ladder)trans-62.9136.7167.8-66174.1000110.3R275 A278 E279 T299R275-L297 HydrophobicContact CB-CD1 4.43Å; R275-L297 HydrophobicContact CG-CD1 4.43Å; A278-L297 HydrophobicContact CB-CB 4.01Å; A278-L297 HydrophobicContact CB-CD2 4.22Å; E279-L297 HydrophobicContact CG-CD1 3.59Å; E279-L297 HydrophobicContact CG-CD2 3.82Å; E279-L297 HydrophobicContact CG-CG 4.36Å; L297-T299 PolarHBondContact O-N 2.86Å
298D97.7Very high95.6Very high34 Ų3463.2 Ų63.218%0.18234%0.336CS..  trans-92.778.6178.3-169.4-4.1000111L283 K285 E300 C301 A302L283-D298 HydrophobicContact CB-CB 4.22Å; L283-D298 PolarHBondContact O-N 2.74Å; K285-D298 HydrophobicContact CB-CB 4.11Å; K285-D298 HydrophobicContact CD-CB 4.29Å; K285-D298 HydrophobicContact CG-CB 4.13Å; D298-E300 PolarHBondContact O-N 3.49Å; D298-E300 PolarHBondContact OD1-N 3.05Å; D298-C301 HydrophobicContact CB-CB 4.13Å; D298-C301 VanDerWaalsContact CG-CB 3.44Å; D298-C301 PolarHBondContact O-N 2.84Å; D298-C301 PolarHBondContact OD1-N 3.45Å; D298-C301 VanDerWaalsContact OD1-N 3.12Å; D298-C301 WeakPolarHBondContact OD2-CB 3.28Å; D298-A302 PolarHBondContact O-N 3.16Å; D298-A302 VanDerWaalsContact O-N 3.09Å
299T97.7Very high95.8Very high26 Ų2659.9 Ų59.916%0.1632%0.315CS..Hα-helixtrans-62.4-28.8178.352.10000113E239 L274 R275 L297 A302 A303E239-T299 WeakPolarHBondContact OE1-CB 3.18Å; E239-T299 PolarHBondContact OE1-OG1 2.84Å; L274-T299 HydrophobicContact CB-CG2 4.31Å; R275-T299 HydrophobicContact CG-CG2 4.34Å; L297-T299 PolarHBondContact O-N 2.86Å; T299-A302 WeakPolarHBondContact O-CB 3.25Å; T299-A302 PolarHBondContact O-N 2.92Å; T299-A303 WeakPolarHBondContact O-CB 3.38Å; T299-A303 PolarHBondContact O-N 3.42Å
300E97Very high96.3Very high74 Ų7456.5 Ų56.535%0.34630%0.297SS..Hα-helixtrans-68.8-42.1177.1-166.3-164.613800110.9V238 D298 A303 K304V238-E300 HydrophobicContact CB-CG 4.14Å; V238-E300 HydrophobicContact CG1-CG 4.32Å; V238-E300 HydrophobicContact CG2-CG 4.29Å; D298-E300 PolarHBondContact O-N 3.49Å; D298-E300 PolarHBondContact OD1-N 3.05Å; E300-A303 PolarHBondContact O-N 3.45Å; E300-K304 WeakPolarHBondContact O-CG 3.26Å; E300-K304 PolarHBondContact O-N 3.43Å; E300-K304 IonicContact OE1-NZ 2.76Å; E300-K304 PolarHBondContact OE1-NZ 3.4Å
301C97.8Very high96.5Very high41 Ų4146.9 Ų46.928%0.27726%0.259SS..Hα-helixtrans-66.5-38173.8-168.20000111.8L283 D298 K304 K305L283-C301 HydrophobicContact CD1-CB 4.2Å; D298-C301 HydrophobicContact CB-CB 4.13Å; D298-C301 VanDerWaalsContact CG-CB 3.44Å; D298-C301 PolarHBondContact O-N 2.84Å; D298-C301 PolarHBondContact OD1-N 3.45Å; D298-C301 VanDerWaalsContact OD1-N 3.12Å; D298-C301 WeakPolarHBondContact OD2-CB 3.28Å; C301-K304 PolarHBondContact O-N 3.33Å; C301-K305 PolarHBondContact O-N 3.39Å
302A98.4Very high96.6Very high0 Ų050.9 Ų50.90%026%0.255CS..Hα-helixtrans-59.9-45.3171.700000111.4L274 L277 A278 L283 D298 T299 K304 K305 F306L274-A302 HydrophobicContact CB-CB 4.45Å; L274-A302 HydrophobicContact CD2-CB 4.22Å; L274-A302 WeakPolarHBondContact O-CB 3.35Å; L277-A302 HydrophobicContact CB-CB 4.18Å; L277-A302 HydrophobicContact CD2-CB 4.04Å; L277-A302 VanDerWaalsContact CD2-O 3.27Å; L277-A302 WeakPolarHBondContact CD2-O 3.28Å; L277-A302 HydrophobicContact CG-CB 4.1Å; A278-A302 HydrophobicContact CB-CB 4.11Å; L283-A302 HydrophobicContact CD1-CB 4.06Å; D298-A302 PolarHBondContact O-N 3.16Å; D298-A302 VanDerWaalsContact O-N 3.09Å; T299-A302 WeakPolarHBondContact O-CB 3.25Å; T299-A302 PolarHBondContact O-N 2.92Å; A302-K304 PolarHBondContact O-N 2.9Å; A302-K305 WeakPolarHBondContact O-CB 3.28Å; A302-K305 PolarHBondContact O-N 3.49Å; A302-K305 VanDerWaalsContact O-N 3.11Å; A302-F306 PolarHBondContact O-N 3.09Å
303A98.5Very high96.8Very high0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-60.5-43.5176.800000111.7V238 E239 A242 L274 T299 E300 K305 F306 I307V238-A303 HydrophobicContact CG1-CB 3.72Å; E239-A303 HydrophobicContact CG-CB 4.13Å; A242-A303 HydrophobicContact CB-CB 3.72Å; L274-A303 HydrophobicContact CD1-CB 3.97Å; L274-A303 HydrophobicContact CD2-CB 3.84Å; T299-A303 WeakPolarHBondContact O-CB 3.38Å; T299-A303 PolarHBondContact O-N 3.42Å; E300-A303 PolarHBondContact O-N 3.45Å; A303-K305 VanDerWaalsContact C-N 3.33Å; A303-K305 PolarHBondContact O-N 3.35Å; A303-F306 PolarHBondContact O-N 3.1Å; A303-I307 WeakPolarHBondContact O-CB 3.44Å; A303-I307 WeakPolarHBondContact O-CD1 3.44Å; A303-I307 VanDerWaalsContact O-CG1 3.28Å; A303-I307 WeakPolarHBondContact O-CG1 3.49Å; A303-I307 PolarHBondContact O-N 3.18Å
304K98.2Very high96.9Very high76 Ų7646.9 Ų46.933%0.3323%0.233SC..Hα-helixtrans-57.6-43.4173.1-73.6170.2177.3159.10111.9V238 E300 C301 A302 Q308V238-K304 HydrophobicContact CG1-CG 3.59Å; E300-K304 WeakPolarHBondContact O-CG 3.26Å; E300-K304 PolarHBondContact O-N 3.43Å; E300-K304 IonicContact OE1-NZ 2.76Å; E300-K304 PolarHBondContact OE1-NZ 3.4Å; C301-K304 PolarHBondContact O-N 3.33Å; A302-K304 PolarHBondContact O-N 2.9Å; K304-Q308 WeakPolarHBondContact O-CB 3.2Å; K304-Q308 PolarHBondContact O-N 3.36Å
305K98.1Very high97Very high77 Ų7743 Ų4334%0.33522%0.215SC..Hα-helixtrans-63.6-45.1176.4-76.5-167.4177.7-179.60111.7L277 E281 L283 C301 A302 A303 Q308 L309L277-K305 HydrophobicContact CD2-CB 4.21Å; E281-K305 HydrophobicContact CG-CD 4.48Å; E281-K305 IonicContact OE2-NZ 2.71Å; E281-K305 PolarHBondContact OE2-NZ 3.1Å; L283-K305 HydrophobicContact CD1-CD 4.08Å; C301-K305 PolarHBondContact O-N 3.39Å; A302-K305 WeakPolarHBondContact O-CB 3.28Å; A302-K305 PolarHBondContact O-N 3.49Å; A302-K305 VanDerWaalsContact O-N 3.11Å; A303-K305 VanDerWaalsContact C-N 3.33Å; A303-K305 PolarHBondContact O-N 3.35Å; K305-Q308 WeakPolarHBondContact O-CB 3.49Å; K305-Q308 PolarHBondContact O-N 3.43Å; K305-Q308 VanDerWaalsContact O-N 3.13Å; K305-L309 PolarHBondContact O-N 3.22Å; K305-L309 VanDerWaalsContact O-N 3.12Å
306F98.5Very high96.9Very high0 Ų041.1 Ų41.10%021%0.213CC..Hα-helixtrans-62.4-48.8178.9178.5-147.8000112A242 L245 L246 L261 I270 L277 A302 A303 Q308 L309 F310 L315A242-F306 HydrophobicContact CB-CD1 4.06Å; A242-F306 WeakPolarHBondContact O-CE1 3.33Å; L245-F306 HydrophobicContact CB-CE1 4.26Å; L245-F306 HydrophobicContact CB-CZ 4.43Å; L245-F306 HydrophobicContact CD2-CD1 4.22Å; L245-F306 HydrophobicContact CD2-CD2 4.11Å; L245-F306 HydrophobicContact CD2-CE1 3.98Å; L245-F306 HydrophobicContact CD2-CE2 3.86Å; L245-F306 HydrophobicContact CD2-CG 4.28Å; L245-F306 HydrophobicContact CD2-CZ 3.79Å; L245-F306 HydrophobicContact CG-CE1 4.07Å; L245-F306 HydrophobicContact CG-CE2 4.25Å; L245-F306 HydrophobicContact CG-CZ 3.79Å; L246-F306 HydrophobicContact CB-CE1 4.13Å; L246-F306 HydrophobicContact CB-CZ 4.5Å; L261-F306 HydrophobicContact CD1-CD2 3.81Å; L261-F306 HydrophobicContact CD1-CE2 3.98Å; L261-F306 HydrophobicContact CD1-CG 4.22Å; L261-F306 HydrophobicContact CD2-CD2 4.18Å; L261-F306 HydrophobicContact CG-CD2 4.34Å; I270-F306 HydrophobicContact CD1-CD1 4.47Å; I270-F306 HydrophobicContact CD1-CE1 4.47Å; L277-F306 HydrophobicContact CD2-CB 4.27Å; A302-F306 PolarHBondContact O-N 3.09Å; A303-F306 PolarHBondContact O-N 3.1Å; F306-Q308 PolarHBondContact O-N 3.13Å; F306-L309 HydrophobicContact CD2-CD1 4.41Å; F306-L309 WeakPolarHBondContact O-CB 3.43Å; F306-L309 PolarHBondContact O-N 2.89Å; F306-L309 VanDerWaalsContact O-N 3.08Å; F306-F310 PolarHBondContact O-N 3.04Å; F306-L315 HydrophobicContact CD2-CD1 4.44Å; F306-L315 HydrophobicContact CE2-CD1 3.79Å
307I98.4Very high96.8Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-58.8-33.3174.5-66.1163.7000111.1L227 V238 L241 A242 A303 F310 R311L227-I307 HydrophobicContact CD2-CG1 4.39Å; L227-I307 HydrophobicContact CD2-CG2 4.28Å; V238-I307 HydrophobicContact CG1-CD1 4.06Å; V238-I307 WeakPolarHBondContact O-CD1 3.2Å; L241-I307 HydrophobicContact CB-CD1 3.61Å; L241-I307 HydrophobicContact CB-CG1 4.4Å; A242-I307 HydrophobicContact CB-CD1 4.18Å; A242-I307 HydrophobicContact CB-CG1 4.16Å; A303-I307 WeakPolarHBondContact O-CB 3.44Å; A303-I307 WeakPolarHBondContact O-CD1 3.44Å; A303-I307 VanDerWaalsContact O-CG1 3.28Å; A303-I307 WeakPolarHBondContact O-CG1 3.49Å; A303-I307 PolarHBondContact O-N 3.18Å; I307-F310 VanDerWaalsContact O-CB 3.32Å; I307-F310 WeakPolarHBondContact O-CB 3.23Å; I307-F310 PolarHBondContact O-N 3.22Å; I307-R311 HydrophobicContact CG2-CG 4.33Å; I307-R311 VanDerWaalsContact CG2-NE 3.31Å; I307-R311 WeakPolarHBondContact O-CG 3.28Å; I307-R311 PolarHBondContact O-N 3.13Å
308Q97.6Very high96.7Very high35 Ų3537.1 Ų37.116%0.16419%0.192CC..Hα-helixtrans-72.1-27.5179.4-170.862.8-12.100113.6K304 K305 F306 F310 R311 R312K304-Q308 WeakPolarHBondContact O-CB 3.2Å; K304-Q308 PolarHBondContact O-N 3.36Å; K305-Q308 WeakPolarHBondContact O-CB 3.49Å; K305-Q308 PolarHBondContact O-N 3.43Å; K305-Q308 VanDerWaalsContact O-N 3.13Å; F306-Q308 PolarHBondContact O-N 3.13Å; Q308-F310 VanDerWaalsContact C-N 3.31Å; Q308-R311 PolarHBondContact O-N 3.11Å; Q308-R312 HydrophobicContact CG-CG 4.29Å; Q308-R312 VanDerWaalsContact NE2-NE 3.17Å; Q308-R312 WeakPolarHBondContact O-CB 3.39Å; Q308-R312 VanDerWaalsContact O-CG 3.26Å; Q308-R312 WeakPolarHBondContact O-CG 3.35Å; Q308-R312 PolarHBondContact O-N 3Å; Q308-R312 VanDerWaalsContact O-N 3.08Å
309L97.8Very high96.6Very high32 Ų3235.8 Ų35.817%0.16818%0.184CC..Hα-helixtrans-61.3-43.3168.8-66.7170.6000110.6Q260 L261 K305 F306 G313 H314 L315Q260-L309 HydrophobicContact CB-CD1 3.9Å; L261-L309 HydrophobicContact CD2-CD1 3.53Å; L261-L309 HydrophobicContact CG-CD1 4.3Å; K305-L309 PolarHBondContact O-N 3.22Å; K305-L309 VanDerWaalsContact O-N 3.12Å; F306-L309 HydrophobicContact CD2-CD1 4.41Å; F306-L309 WeakPolarHBondContact O-CB 3.43Å; F306-L309 PolarHBondContact O-N 2.89Å; F306-L309 VanDerWaalsContact O-N 3.08Å; L309-G313 PolarHBondContact O-N 3.03Å; L309-H314 HydrophobicContact CB-CB 4.3Å; L309-H314 HydrophobicContact CD2-CB 4.13Å; L309-H314 WeakPolarHBondContact O-CB 3.37Å; L309-H314 PolarHBondContact O-N 3.02Å; L309-L315 HydrophobicContact CB-CD1 4.46Å; L309-L315 HydrophobicContact CB-CD2 3.91Å; L309-L315 HydrophobicContact CB-CG 4.06Å
310F97.7Very high96.6Very high3 Ų334.6 Ų34.61%0.01318%0.177CC..Hα-helixtrans-59.4-59.3170.9178.3-98.5000110.2L227 L245 F306 I307 Q308 R312 G313 L315 Q318 L320L227-F310 HydrophobicContact CB-CD1 4.3Å; L227-F310 HydrophobicContact CB-CE1 3.85Å; L245-F310 HydrophobicContact CD1-CB 3.92Å; L245-F310 HydrophobicContact CD1-CD2 3.45Å; L245-F310 VanDerWaalsContact CD1-CD2 3.45Å; L245-F310 HydrophobicContact CD1-CE2 4.06Å; L245-F310 HydrophobicContact CD1-CG 3.77Å; L245-F310 HydrophobicContact CD2-CB 3.66Å; L245-F310 HydrophobicContact CD2-CG 4.34Å; L245-F310 HydrophobicContact CG-CB 4.46Å; F306-F310 PolarHBondContact O-N 3.04Å; I307-F310 VanDerWaalsContact O-CB 3.32Å; I307-F310 WeakPolarHBondContact O-CB 3.23Å; I307-F310 PolarHBondContact O-N 3.22Å; Q308-F310 VanDerWaalsContact C-N 3.31Å; F310-R312 PolarHBondContact O-N 3.04Å; F310-G313 PolarHBondContact O-N 3.38Å; F310-L315 HydrophobicContact CB-CD1 3.86Å; F310-L315 HydrophobicContact CB-CG 4.46Å; F310-Q318 HydrophobicContact CD2-CB 4.26Å; F310-Q318 HydrophobicContact CD2-CG 3.95Å; F310-Q318 HydrophobicContact CE2-CB 3.47Å; F310-Q318 VanDerWaalsContact CE2-CB 3.47Å; F310-Q318 HydrophobicContact CE2-CG 3.67Å; F310-Q318 HydrophobicContact CZ-CB 3.71Å; F310-Q318 HydrophobicContact CZ-CG 4.26Å; F310-Q318 PolarHBondContact O-NE2 2.68Å; F310-Q318 PolarHBondContact O-OE1 3.22Å; F310-L320 HydrophobicContact CE1-CD1 4.47Å; F310-L320 HydrophobicContact CE2-CD2 4.21Å; F310-L320 HydrophobicContact CZ-CD1 3.93Å; F310-L320 HydrophobicContact CZ-CD2 3.96Å; F310-L320 HydrophobicContact CZ-CG 4.02Å
311R96.5Very high96.5Very high30 Ų3031.1 Ų31.111%0.11316%0.161CC..Hα-helixtrans-59.1-18.2-174.9-68.4167.3176.6174.9-6.1115.6G226 L227 E229 D233 I307 Q308G226-R311 PolarHBondContact O-NH2 2.88Å; L227-R311 PolarHBondContact O-NE 3.07Å; E229-R311 HydrophobicContact CG-CG 4.22Å; D233-R311 VanDerWaalsContact CG-NH2 3.29Å; D233-R311 IonicContact OD1-CZ 3.93Å; D233-R311 IonicContact OD1-NH1 3.64Å; D233-R311 PolarHBondContact OD1-NH1 3.33Å; D233-R311 IonicContact OD1-NH2 3.76Å; D233-R311 PolarHBondContact OD1-NH2 3.44Å; D233-R311 IonicContact OD2-CZ 3.16Å; D233-R311 IonicContact OD2-NH1 3.48Å; D233-R311 PolarHBondContact OD2-NH1 3.03Å; D233-R311 IonicContact OD2-NH2 2.67Å; D233-R311 PolarHBondContact OD2-NH2 3.29Å; I307-R311 HydrophobicContact CG2-CG 4.33Å; I307-R311 VanDerWaalsContact CG2-NE 3.31Å; I307-R311 WeakPolarHBondContact O-CG 3.28Å; I307-R311 PolarHBondContact O-N 3.13Å; Q308-R311 PolarHBondContact O-N 3.11Å
312R94.8Very high96.2Very high149 Ų14930.5 Ų30.556%0.56216%0.156SC*.THydrogen-bonded Turntrans-97.11.5177.3-69.2178.9178.9-178.5-0.6115.1Q308 F310Q308-R312 HydrophobicContact CG-CG 4.29Å; Q308-R312 VanDerWaalsContact NE2-NE 3.17Å; Q308-R312 WeakPolarHBondContact O-CB 3.39Å; Q308-R312 VanDerWaalsContact O-CG 3.26Å; Q308-R312 WeakPolarHBondContact O-CG 3.35Å; Q308-R312 PolarHBondContact O-N 3Å; Q308-R312 VanDerWaalsContact O-N 3.08Å; F310-R312 PolarHBondContact O-N 3.04Å
313G94.7Very high95.8Very high29 Ų2934.5 Ų34.530%0.29918%0.177SC..THydrogen-bonded Turntrans86.45.7-179.900000114.9L309 F310 L315L309-G313 PolarHBondContact O-N 3.03Å; F310-G313 PolarHBondContact O-N 3.38Å; G313-L315 VanDerWaalsContact C-N 3.32Å; G313-L315 PolarHBondContact O-N 3.29Å
314H95.9Very high95.4Very high89 Ų8935.8 Ų35.841%0.41219%0.187SC..THydrogen-bonded Turntrans-80.8-9-172.1-61.6-45000114.4L309L309-H314 HydrophobicContact CB-CB 4.3Å; L309-H314 HydrophobicContact CD2-CB 4.13Å; L309-H314 WeakPolarHBondContact O-CB 3.37Å; L309-H314 PolarHBondContact O-N 3.02Å
315L95.3Very high94.9Very high4 Ų433.5 Ų33.52%0.02118%0.179CC..THydrogen-bonded Turntrans-98.914.4178.8-55.8-171.7000113.6L245 Q260 F306 L309 F310 G313L245-L315 HydrophobicContact CD1-CD1 4.17Å; L245-L315 HydrophobicContact CD2-CD1 3.99Å; L245-L315 HydrophobicContact CG-CD1 4.3Å; Q260-L315 HydrophobicContact CB-CD2 4.26Å; Q260-L315 HydrophobicContact CG-CD2 4.1Å; F306-L315 HydrophobicContact CD2-CD1 4.44Å; F306-L315 HydrophobicContact CE2-CD1 3.79Å; L309-L315 HydrophobicContact CB-CD1 4.46Å; L309-L315 HydrophobicContact CB-CD2 3.91Å; L309-L315 HydrophobicContact CB-CG 4.06Å; F310-L315 HydrophobicContact CB-CD1 3.86Å; F310-L315 HydrophobicContact CB-CG 4.46Å; G313-L315 VanDerWaalsContact C-N 3.32Å; G313-L315 PolarHBondContact O-N 3.29Å
316G92Very high94Very high43 Ų4337.6 Ų37.644%0.44321%0.21SC..SBendtrans83-149.7-177.100000112.4Q318G316-Q318 WeakPolarHBondContact O-CG 3.44Å
317D93Very high93.7Very high38 Ų3839.5 Ų39.520%0.20322%0.221CC..  trans-57138.7175.6-168-20.7000110.2G84 R254 F319G84-D317 PolarHBondContact N-OD1 3.47Å; R254-D317 VanDerWaalsContact NH1-C 3.32Å; R254-D317 PolarHBondContact NH1-O 2.91Å; D317-F319 WeakPolarHBondContact OD1-CB 3.49Å; D317-F319 PolarHBondContact OD1-N 3.43Å
318Q94.9Very high93.5Very high0 Ų041.5 Ų41.50%023%0.232CC..  trans-124.617.7-173.9-52.7-171.2-8.200112.8R53 L82 F310 G316 L320R53-Q318 VanDerWaalsContact CB-O 3.27Å; R53-Q318 WeakPolarHBondContact CB-O 3.44Å; R53-Q318 VanDerWaalsContact CD-CB 3.49Å; R53-Q318 HydrophobicContact CG-CB 3.82Å; R53-Q318 VanDerWaalsContact CG-O 3.32Å; R53-Q318 WeakPolarHBondContact CG-O 3.39Å; L82-Q318 WeakPolarHBondContact O-CB 3.34Å; L82-Q318 VanDerWaalsContact O-CG 3.3Å; L82-Q318 WeakPolarHBondContact O-CG 3.35Å; L82-Q318 PolarHBondContact O-N 3.07Å; F310-Q318 HydrophobicContact CD2-CB 4.26Å; F310-Q318 HydrophobicContact CD2-CG 3.95Å; F310-Q318 HydrophobicContact CE2-CB 3.47Å; F310-Q318 VanDerWaalsContact CE2-CB 3.47Å; F310-Q318 HydrophobicContact CE2-CG 3.67Å; F310-Q318 HydrophobicContact CZ-CB 3.71Å; F310-Q318 HydrophobicContact CZ-CG 4.26Å; F310-Q318 PolarHBondContact O-NE2 2.68Å; F310-Q318 PolarHBondContact O-OE1 3.22Å; G316-Q318 WeakPolarHBondContact O-CG 3.44Å; Q318-L320 PolarHBondContact O-N 3.26Å; Q318-L320 VanDerWaalsContact O-N 3.09Å
319F96.4Very high93.3Very high5 Ų541.9 Ų41.92%0.02224%0.236CC..  trans-61.6109.6172.1-172.9-98.3000110.9P55 F56 H87 V91 F248 D317 D321 V322 L325P55-F319 HydrophobicContact CG-CE2 3.61Å; P55-F319 HydrophobicContact CG-CZ 4.06Å; F56-F319 HydrophobicContact CE2-CZ 4.49Å; H87-F319 HydrophobicContact CB-CD1 4.13Å; H87-F319 HydrophobicContact CB-CD2 4.49Å; H87-F319 HydrophobicContact CB-CE1 4.07Å; H87-F319 HydrophobicContact CB-CE2 4.43Å; H87-F319 HydrophobicContact CB-CG 4.34Å; H87-F319 HydrophobicContact CB-CZ 4.23Å; H87-F319 AromaticContact CD2-CD1 3.39Å; H87-F319 WeakPolarHBondContact CD2-CD1 3.24Å; H87-F319 AromaticContact CD2-CE1 3.98Å; H87-F319 AromaticContact CD2-CG 3.87Å; H87-F319 AromaticContact CG-CD1 3.92Å; V91-F319 HydrophobicContact CG2-CE2 3.57Å; V91-F319 HydrophobicContact CG2-CZ 3.57Å; F248-F319 WeakPolarHBondContact CZ-O 3.39Å; D317-F319 WeakPolarHBondContact OD1-CB 3.49Å; D317-F319 PolarHBondContact OD1-N 3.43Å; F319-D321 HydrophobicContact CE1-CB 4.34Å; F319-D321 WeakPolarHBondContact CE1-O 3.33Å; F319-D321 HydrophobicContact CZ-CB 4.08Å; F319-V322 HydrophobicContact CD1-CG2 3.75Å; F319-V322 HydrophobicContact CE1-CG2 4.22Å; F319-L325 HydrophobicContact CE1-CD1 3.51Å; F319-L325 HydrophobicContact CE1-CG 4.07Å; F319-L325 HydrophobicContact CZ-CD1 3.84Å; F319-L325 HydrophobicContact CZ-CD2 4.44Å; F319-L325 HydrophobicContact CZ-CG 4.17Å
320L96.5Very high93Very high2 Ų242.5 Ų42.51%0.0124%0.24CC..  trans-93-23.6-172.8-70176.2000113.6R53 I54 K224 L227 F248 F310 Q318 V322R53-L320 PolarHBondContact O-N 2.88Å; I54-L320 HydrophobicContact CG2-CB 3.85Å; I54-L320 HydrophobicContact CG2-CD1 3.92Å; I54-L320 HydrophobicContact CG2-CG 4.43Å; K224-L320 HydrophobicContact CB-CD1 4.05Å; K224-L320 HydrophobicContact CD-CB 4.29Å; K224-L320 VanDerWaalsContact CE-O 3.25Å; K224-L320 WeakPolarHBondContact CE-O 3.37Å; K224-L320 HydrophobicContact CG-CB 4.12Å; K224-L320 HydrophobicContact CG-CD1 4.23Å; K224-L320 PolarHBondContact NZ-O 3.1Å; L227-L320 HydrophobicContact CB-CD1 4.2Å; L227-L320 HydrophobicContact CD1-CD1 4.36Å; L227-L320 HydrophobicContact CD1-CD2 4.29Å; F248-L320 HydrophobicContact CD1-CD2 3.82Å; F248-L320 HydrophobicContact CD2-CD2 3.91Å; F248-L320 HydrophobicContact CE1-CD2 3.75Å; F248-L320 HydrophobicContact CE2-CD2 3.84Å; F248-L320 HydrophobicContact CG-CD2 3.91Å; F248-L320 HydrophobicContact CZ-CD2 3.78Å; F310-L320 HydrophobicContact CE1-CD1 4.47Å; F310-L320 HydrophobicContact CE2-CD2 4.21Å; F310-L320 HydrophobicContact CZ-CD1 3.93Å; F310-L320 HydrophobicContact CZ-CD2 3.96Å; F310-L320 HydrophobicContact CZ-CG 4.02Å; Q318-L320 PolarHBondContact O-N 3.26Å; Q318-L320 VanDerWaalsContact O-N 3.09Å; L320-V322 PolarHBondContact O-N 2.91Å
321D94.9Very high92.7Very high0 Ų044.9 Ų44.90%025%0.254CS..  trans-88.839.7-175.9-74.2-21.5000113.4I54 F56 T57 K224 F319 D323 A324I54-D321 WeakPolarHBondContact CA-OD2 3.27Å; F56-D321 HydrophobicContact CD2-CB 3.79Å; F56-D321 PolarHBondContact N-OD2 3.34Å; T57-D321 VanDerWaalsContact CB-OD1 3.27Å; T57-D321 WeakPolarHBondContact CB-OD1 3.33Å; T57-D321 PolarHBondContact N-OD2 2.8Å; T57-D321 PolarHBondContact OG1-OD1 3.2Å; K224-D321 WeakPolarHBondContact CD-OD1 3.22Å; K224-D321 IonicContact NZ-OD1 3.57Å; K224-D321 PolarHBondContact NZ-OD1 2.84Å; F319-D321 HydrophobicContact CE1-CB 4.34Å; F319-D321 WeakPolarHBondContact CE1-O 3.33Å; F319-D321 HydrophobicContact CZ-CB 4.08Å; D321-D323 VanDerWaalsContact C-N 3.27Å; D321-D323 WeakPolarHBondContact CA-OD1 3.33Å; D321-D323 PolarHBondContact O-N 2.96Å; D321-A324 HydrophobicContact CB-CB 4.07Å; D321-A324 PolarHBondContact O-N 3.15Å; D321-A324 VanDerWaalsContact O-N 3.1Å
322V92.7Very high92.5Very high29 Ų2945.9 Ų45.918%0.17626%0.264CS..G310 helixtrans-60.2-39.9179.5-179.20000111.3F319 L320 A324 L325F319-V322 HydrophobicContact CD1-CG2 3.75Å; F319-V322 HydrophobicContact CE1-CG2 4.22Å; L320-V322 PolarHBondContact O-N 2.91Å; V322-A324 VanDerWaalsContact C-N 3.26Å; V322-A324 PolarHBondContact O-N 3.19Å; V322-L325 WeakPolarHBondContact O-CB 2.98Å; V322-L325 PolarHBondContact O-N 3.09Å
323D90.1Very high92.3Very high84 Ų8438.6 Ų38.645%0.44924%0.243SC..G310 helixtrans-61.3-25.6174.256.7-45.9000114.2K224 D321 L325 T326K224-D323 IonicContact NZ-OD1 3.94Å; K224-D323 PolarHBondContact NZ-OD1 2.66Å; K224-D323 IonicContact NZ-OD2 3.61Å; K224-D323 PolarHBondContact NZ-OD2 2.81Å; D321-D323 VanDerWaalsContact C-N 3.27Å; D321-D323 WeakPolarHBondContact CA-OD1 3.33Å; D321-D323 PolarHBondContact O-N 2.96Å; D323-L325 VanDerWaalsContact C-N 3.31Å; D323-T326 PolarHBondContact O-OG1 2.86Å
324A89.5Confident92.1Very high26 Ų2639.3 Ų39.322%0.21524%0.238CC..G310 helixtrans-82.2-11.5178.400000113.2F56 D321 V322F56-A324 HydrophobicContact CB-CB 4.05Å; F56-A324 HydrophobicContact CD2-CB 3.43Å; F56-A324 VanDerWaalsContact CD2-CB 3.43Å; F56-A324 HydrophobicContact CE2-CB 4.02Å; F56-A324 HydrophobicContact CG-CB 3.85Å; D321-A324 HydrophobicContact CB-CB 4.07Å; D321-A324 PolarHBondContact O-N 3.15Å; D321-A324 VanDerWaalsContact O-N 3.1Å; V322-A324 VanDerWaalsContact C-N 3.26Å; V322-A324 PolarHBondContact O-N 3.19Å
325L88.6Confident91.8Very high29 Ų2935.2 Ų35.215%0.15222%0.224CC..  trans-89.1-18.6177.7-61.6-179.9000113.5F56 H87 Q90 V91 F319 V322 D323F56-L325 HydrophobicContact CE2-CD2 3.6Å; F56-L325 HydrophobicContact CE2-CG 4.38Å; F56-L325 HydrophobicContact CZ-CD2 3.81Å; H87-L325 HydrophobicContact CB-CD1 3.72Å; Q90-L325 HydrophobicContact CB-CD1 4.19Å; Q90-L325 HydrophobicContact CB-CD2 4.02Å; V91-L325 HydrophobicContact CG2-CD2 3.9Å; F319-L325 HydrophobicContact CE1-CD1 3.51Å; F319-L325 HydrophobicContact CE1-CG 4.07Å; F319-L325 HydrophobicContact CZ-CD1 3.84Å; F319-L325 HydrophobicContact CZ-CD2 4.44Å; F319-L325 HydrophobicContact CZ-CG 4.17Å; V322-L325 WeakPolarHBondContact O-CB 2.98Å; V322-L325 PolarHBondContact O-N 3.09Å; D323-L325 VanDerWaalsContact C-N 3.31Å
326T77.7Confident91.5Very high162 Ų16238 Ų3899%0.99424%0.242SC*.  trans-86.80-179.1520000113.5D323D323-T326 PolarHBondContact O-OG1 2.86Å

Retrieved 326 of 326 residues in 364.1 ms (Link to these results)

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