G4LWQ1_SCHMA Loading...

Hypoxanthine-guanine phosphoribosyltransferase,putative

AlphaFold DB , UniProt , Accession G4LWQ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 228 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
1M36Very low63.8Low241 Ų241103.8 Ų103.8100%1.18752%0.521SS*.  0107.70-150.5172.7-158.100105.7
2Q38.3Very low66.5Low155 Ų15596.5 Ų96.572%0.72448%0.484SS*.  trans-62131.7177.1-79.5-177.2-1600107.8S4Q2-S4 PolarHBondContact O-N 2.85Å
3P41.4Very low68.7Low61 Ų6196.7 Ų96.740%0.39649%0.488SS..  trans-62.6130.2179.5-111.4000108.7Y5 L61P3-Y5 HydrophobicContact CB-CD1 3.75Å; P3-Y5 HydrophobicContact CB-CE1 4.02Å; P3-Y5 HydrophobicContact CG-CD1 4.11Å; P3-Y5 HydrophobicContact CG-CE1 3.89Å; P3-Y5 VanDerWaalsContact O-CD1 3.25Å; P3-Y5 WeakPolarHBondContact O-CD1 3.4Å; P3-Y5 WeakPolarHBondContact O-CE1 3.25Å; P3-Y5 PolarHBondContact O-N 3.25Å; P3-L61 HydrophobicContact CG-CD1 3.47Å; P3-L61 VanDerWaalsContact CG-CD1 3.47Å
4S51.4Low70.5Confident90 Ų9096.5 Ų96.563%0.62949%0.489SS*.  trans-73.742.5-177.1172.10000112Q2 R6Q2-S4 PolarHBondContact O-N 2.85Å; S4-R6 PolarHBondContact O-N 3.02Å
5Y49.8Very low72.1Confident38 Ų3899.1 Ų99.115%0.14951%0.505CS..G310 helixtrans-73-12.7176.154.1-103.4000112.6P3 K7 N8 T58 D182 F183P3-Y5 HydrophobicContact CB-CD1 3.75Å; P3-Y5 HydrophobicContact CB-CE1 4.02Å; P3-Y5 HydrophobicContact CG-CD1 4.11Å; P3-Y5 HydrophobicContact CG-CE1 3.89Å; P3-Y5 VanDerWaalsContact O-CD1 3.25Å; P3-Y5 WeakPolarHBondContact O-CD1 3.4Å; P3-Y5 WeakPolarHBondContact O-CE1 3.25Å; P3-Y5 PolarHBondContact O-N 3.25Å; Y5-K7 PolarHBondContact O-N 3.34Å; Y5-N8 PolarHBondContact O-N 3.37Å; Y5-N8 VanDerWaalsContact O-N 3.1Å; Y5-T58 HydrophobicContact CE1-CG2 4.2Å; Y5-T58 VanDerWaalsContact CE1-OG1 3.25Å; Y5-T58 WeakPolarHBondContact CE1-OG1 3.43Å; Y5-T58 VanDerWaalsContact CZ-OG1 3.32Å; Y5-T58 WeakPolarHBondContact OH-CG2 3.41Å; Y5-D182 WeakPolarHBondContact CD2-O 3.48Å; Y5-F183 HydrophobicContact CD2-CD1 4.22Å; Y5-F183 AromaticContact CD2-CE1 3.92Å; Y5-F183 HydrophobicContact CD2-CE1 3.92Å; Y5-F183 HydrophobicContact CE2-CD1 4.36Å; Y5-F183 AromaticContact CE2-CE1 3.77Å; Y5-F183 HydrophobicContact CE2-CE1 3.77Å; Y5-F183 HydrophobicContact CE2-CZ 4.16Å
6R53.3Low73.6Confident123 Ų12396.1 Ų96.146%0.46449%0.487SS..G310 helixtrans-59.63.7176.8-70.7-172.9171.8166.5-3115.7S4 D182S4-R6 PolarHBondContact O-N 3.02Å; R6-D182 IonicContact CZ-OD1 3.81Å; R6-D182 IonicContact NE-OD1 3.64Å; R6-D182 IonicContact NH2-OD1 3.46Å; R6-D182 PolarHBondContact NH2-OD1 2.63Å; R6-D182 VanDerWaalsContact NH2-OD1 3.09Å
7K63.1Low74.9Confident161 Ų16196.4 Ų96.470%0.750%0.497SS*.G310 helixtrans-128.53.9178.7-63-170.6178.5-174.70114.4Y5 F9Y5-K7 PolarHBondContact O-N 3.34Å; K7-F9 PolarHBondContact O-N 3.36Å
8N84.2Confident76.1Confident98 Ų9891.8 Ų91.852%0.52448%0.478SS..  trans-98.381.1-176.9-66.9-16.1000109.9Y5 R47Y5-N8 PolarHBondContact O-N 3.37Å; Y5-N8 VanDerWaalsContact O-N 3.1Å; N8-R47 PolarHBondContact O-NH2 3.27Å
9F92.6Very high77.2Confident63 Ų6392.8 Ų92.828%0.27648%0.475SS..  trans-131.2160.4168.648.6-98.7000109.8K7 V11 V184 E187K7-F9 PolarHBondContact O-N 3.36Å; F9-V11 HydrophobicContact CD2-CG2 3.92Å; F9-V11 HydrophobicContact CE2-CG2 3.72Å; F9-V184 HydrophobicContact CB-CB 3.81Å; F9-V184 HydrophobicContact CB-CG1 3.74Å; F9-V184 WeakPolarHBondContact CB-O 3.23Å; F9-V184 HydrophobicContact CD1-CB 3.86Å; F9-V184 HydrophobicContact CD1-CG1 4.13Å; F9-V184 HydrophobicContact CD1-CG2 4.45Å; F9-V184 HydrophobicContact CG-CB 4.07Å; F9-V184 HydrophobicContact CG-CG1 3.93Å; F9-E187 HydrophobicContact CD2-CB 3.61Å; F9-E187 HydrophobicContact CE2-CB 3.5Å; F9-E187 HydrophobicContact CE2-CG 4.24Å
10V96Very high78.1Confident46 Ų4690.5 Ų90.528%0.27947%0.468SS..EExtended strand (participates in β ladder)trans-81124.1176.4175.90000108.5I12 M43 G185 F186 E187V10-I12 HydrophobicContact CG1-CD1 4.03Å; V10-M43 HydrophobicContact CG1-CE 3.7Å; V10-G185 PolarHBondContact N-O 2.81Å; V10-G185 VanDerWaalsContact N-O 3.07Å; V10-F186 HydrophobicContact CB-CD1 3.61Å; V10-F186 HydrophobicContact CB-CE1 3.93Å; V10-F186 HydrophobicContact CB-CG 4.5Å; V10-F186 HydrophobicContact CG1-CD1 3.9Å; V10-F186 HydrophobicContact CG1-CE1 4.17Å; V10-F186 HydrophobicContact CG2-CD1 4.36Å; V10-F186 HydrophobicContact CG2-CE1 4.21Å; V10-F186 CarbonylContact O-C 3.5Å; V10-F186 VanDerWaalsContact O-CA 3.23Å; V10-F186 WeakPolarHBondContact O-CA 3.35Å; V10-E187 PolarHBondContact O-N 3.34Å
11V95.3Very high78.8Confident66 Ų6688 Ų8840%0.445%0.454SS..EExtended strand (participates in β ladder)trans-90.5124.7175.1176.80000109F9 E187F9-V11 HydrophobicContact CD2-CG2 3.92Å; F9-V11 HydrophobicContact CE2-CG2 3.72Å; V11-E187 HydrophobicContact CG2-CB 4.5Å
12I96.4Very high81.5Confident16 Ų1684.9 Ų84.98%0.08243%0.434CS..PPolyproline II helixtrans-101120.4167.7-53.4-59.3000107.6V10 F16 I38 E187 V188 P189V10-I12 HydrophobicContact CG1-CD1 4.03Å; I12-F16 HydrophobicContact CG2-CB 3.88Å; I12-F16 HydrophobicContact CG2-CD1 3.37Å; I12-F16 HydrophobicContact CG2-CE1 4.18Å; I12-F16 HydrophobicContact CG2-CG 3.91Å; I12-I38 HydrophobicContact CG2-CG2 4.16Å; I12-E187 PolarHBondContact N-O 2.91Å; I12-V188 HydrophobicContact CG1-CG1 4.32Å; I12-P189 HydrophobicContact CG2-CG 4.33Å
13D95Very high84.2Confident99 Ų9982.4 Ų82.453%0.52943%0.433SS..PPolyproline II helixtrans-68.3150.6-175.3-64.9-37000112.3D15 F16 P189D13-D15 VanDerWaalsContact CB-OD1 3.31Å; D13-D15 WeakPolarHBondContact CB-OD1 3.23Å; D13-D15 PolarHBondContact O-N 2.91Å; D13-F16 WeakPolarHBondContact O-CB 3.46Å; D13-F16 PolarHBondContact O-N 3.29Å; D13-P189 VanDerWaalsContact O-CG 3.27Å; D13-P189 WeakPolarHBondContact O-CG 3.34Å
14D93.9Very high86.7Confident94 Ų9482.7 Ų82.750%0.50343%0.428SS..THydrogen-bonded Turntrans-62.2-30.9-176.3-70.7-20.1000112.6R172 R191D14-R172 IonicContact OD1-NE 2.72Å; D14-R191 PolarHBondContact O-NH2 2.97Å; D14-R191 VanDerWaalsContact O-NH2 3.09Å
15D94.6Very high88.7Confident136 Ų13685.4 Ų85.473%0.72744%0.435SS*.THydrogen-bonded Turntrans-87.8-0.917869.2-19000113.8D13 P17D13-D15 VanDerWaalsContact CB-OD1 3.31Å; D13-D15 WeakPolarHBondContact CB-OD1 3.23Å; D13-D15 PolarHBondContact O-N 2.91Å; D15-P17 VanDerWaalsContact O-CD 3.31Å; D15-P17 WeakPolarHBondContact O-CD 3.49Å; D15-P17 VanDerWaalsContact O-N 3.16Å
16F96.1Very high90.6Very high51 Ų5184.5 Ų84.522%0.22443%0.433CS..  trans-61.5118.2177.5179.8-122.3000110.3I12 D13 G18 Y19 R191I12-F16 HydrophobicContact CG2-CB 3.88Å; I12-F16 HydrophobicContact CG2-CD1 3.37Å; I12-F16 HydrophobicContact CG2-CE1 4.18Å; I12-F16 HydrophobicContact CG2-CG 3.91Å; D13-F16 WeakPolarHBondContact O-CB 3.46Å; D13-F16 PolarHBondContact O-N 3.29Å; F16-G18 VanDerWaalsContact CE1-CA 3.43Å; F16-G18 PolarHBondContact O-N 3.35Å; F16-Y19 HydrophobicContact CE1-CE2 4.46Å; F16-Y19 HydrophobicContact CZ-CD2 4.13Å; F16-Y19 AromaticContact CZ-CE2 3.75Å; F16-Y19 HydrophobicContact CZ-CE2 3.75Å; F16-R191 PolarHBondContact O-NH1 2.88Å; F16-R191 PolarHBondContact O-NH2 3.34Å
17P95.5Very high92.2Very high100 Ų10080.6 Ų80.665%0.64943%0.427SS*.  trans-71.1-15.1-176.228.1-35.5000112.9D15 S36D15-P17 VanDerWaalsContact O-CD 3.31Å; D15-P17 WeakPolarHBondContact O-CD 3.49Å; D15-P17 VanDerWaalsContact O-N 3.16Å; P17-S36 VanDerWaalsContact O-CB 3.23Å; P17-S36 WeakPolarHBondContact O-CB 3.25Å
18G96.8Very high93.6Very high15 Ų1578 Ų7816%0.15543%0.429CS..  trans75.9175.9-167.600000112.3F16 I37F16-G18 VanDerWaalsContact CE1-CA 3.43Å; F16-G18 PolarHBondContact O-N 3.35Å; G18-I37 CarbonylContact C-O 3.54Å; G18-I37 VanDerWaalsContact CA-O 3.26Å; G18-I37 WeakPolarHBondContact CA-O 3.14Å
19Y97.6Very high94Very high110 Ų11078.6 Ų78.643%0.43143%0.427SS..BIsolated β-bridgetrans-94.2146.5174.5-55.2-84.8000111F16 F24 I37 P40F16-Y19 HydrophobicContact CE1-CE2 4.46Å; F16-Y19 HydrophobicContact CZ-CD2 4.13Å; F16-Y19 AromaticContact CZ-CE2 3.75Å; F16-Y19 HydrophobicContact CZ-CE2 3.75Å; Y19-F24 HydrophobicContact CG-CE2 4.07Å; Y19-F24 HydrophobicContact CG-CZ 4.28Å; Y19-I37 PolarHBondContact N-O 3.48Å; Y19-I37 PolarHBondContact O-N 3.37Å; Y19-P40 HydrophobicContact CD2-CG 3.72Å; Y19-P40 HydrophobicContact CE2-CG 3.67Å
20S95.2Very high94.2Very high46 Ų4676.1 Ų76.132%0.32242%0.416SS..  trans-68.9136.1173.4175.90000110.8K22 C23 F24S20-K22 PolarHBondContact O-N 3.09Å; S20-K22 VanDerWaalsContact O-N 3.12Å; S20-K22 WeakPolarHBondContact OG-CB 3.45Å; S20-K22 WeakPolarHBondContact OG-CG 3.2Å; S20-K22 PolarHBondContact OG-N 2.64Å; S20-K22 VanDerWaalsContact OG-N 3.17Å; S20-C23 PolarHBondContact O-N 2.6Å; S20-F24 WeakPolarHBondContact O-CD2 3.48Å
21E92.2Very high94.1Very high40 Ų4076.4 Ų76.419%0.18742%0.418CS..G310 helixtrans-48.9-29167.280.4-63.617200113.3C23 F24 L26 T31E21-C23 PolarHBondContact O-N 2.7Å; E21-F24 PolarHBondContact O-N 3.04Å; E21-F24 VanDerWaalsContact O-O 3.09Å; E21-L26 HydrophobicContact CB-CD1 3.69Å; E21-T31 HydrophobicContact CG-CG2 3.72Å
22K92.2Very high94.1Very high174 Ų17477.1 Ų77.176%0.75742%0.424SS*.G310 helixtrans-66.1-20178.9-61.8174.7-172.4171.90113.7S20S20-K22 PolarHBondContact O-N 3.09Å; S20-K22 VanDerWaalsContact O-N 3.12Å; S20-K22 WeakPolarHBondContact OG-CB 3.45Å; S20-K22 WeakPolarHBondContact OG-CG 3.2Å; S20-K22 PolarHBondContact OG-N 2.64Å; S20-K22 VanDerWaalsContact OG-N 3.17Å
23C94.8Very high94.1Very high104 Ų10478.8 Ų78.870%0.70343%0.429SS*.G310 helixtrans-92.3-0.3179.3-61.50000112.9S20 E21S20-C23 PolarHBondContact O-N 2.6Å; E21-C23 PolarHBondContact O-N 2.7Å
24F95.7Very high94.2Very high67 Ų6774.5 Ų74.529%0.29441%0.406SS..SBendtrans-133.4163-172.7-67.7-93.7000111.8Y19 S20 E21 I37 P40 H209Y19-F24 HydrophobicContact CG-CE2 4.07Å; Y19-F24 HydrophobicContact CG-CZ 4.28Å; S20-F24 WeakPolarHBondContact O-CD2 3.48Å; E21-F24 PolarHBondContact O-N 3.04Å; E21-F24 VanDerWaalsContact O-O 3.09Å; F24-I37 HydrophobicContact CB-CD1 3.57Å; F24-I37 HydrophobicContact CD1-CD1 4.22Å; F24-I37 HydrophobicContact CD2-CD1 3.29Å; F24-I37 HydrophobicContact CE2-CD1 4.03Å; F24-I37 HydrophobicContact CG-CD1 3.41Å; F24-I37 VanDerWaalsContact CG-CD1 3.41Å; F24-P40 HydrophobicContact CE1-CB 3.83Å; F24-P40 HydrophobicContact CE1-CG 4.05Å; F24-P40 HydrophobicContact CZ-CB 4.21Å; F24-P40 HydrophobicContact CZ-CG 3.91Å; F24-H209 AromaticContact CD1-CE1 3.92Å; F24-H209 AromaticContact CD1-NE2 3.52Å; F24-H209 AromaticContact CG-NE2 3.95Å
25N91.5Very high94.4Very high146 Ų14675.2 Ų75.278%0.78141%0.407SS*.  trans-90.9105.4174.9-172.521.8000109.9
26L90Very high94.5Very high20 Ų2069 Ų6911%0.10537%0.374CS..  trans-123.1149.1177.4-71.9171.4000110.2E21 S28 I34 I37 I207E21-L26 HydrophobicContact CB-CD1 3.69Å; L26-S28 PolarHBondContact O-N 3.04Å; L26-I34 HydrophobicContact CD1-CG1 4.49Å; L26-I37 HydrophobicContact CD1-CD1 4.03Å; L26-I37 HydrophobicContact CD1-CG1 4.38Å; L26-I207 HydrophobicContact CD2-CG1 4.45Å; L26-I207 HydrophobicContact CD2-CG2 3.57Å
27A88.5Confident94.6Very high41 Ų4166.5 Ų66.534%0.33936%0.363SS..  trans-60.2127.2173.900000109.6K29 Y30 T31A27-K29 HydrophobicContact CB-CG 3.97Å; A27-K29 PolarHBondContact O-N 2.88Å; A27-K29 VanDerWaalsContact O-N 3.07Å; A27-Y30 HydrophobicContact CB-CD2 4.06Å; A27-Y30 PolarHBondContact O-N 2.96Å; A27-T31 PolarHBondContact O-N 3.36Å
28S90.9Very high94.7Very high107 Ų10761.8 Ų61.875%0.74833%0.332SS*.THydrogen-bonded Turntrans-56.1-29.9-175.854.40000113.5L26 Y30 T31L26-S28 PolarHBondContact O-N 3.04Å; S28-Y30 PolarHBondContact O-N 3.1Å; S28-T31 PolarHBondContact O-N 2.82Å
29K94Very high94.8Very high109 Ų10961.1 Ų61.147%0.47433%0.325SS..THydrogen-bonded Turntrans-59.1-24.2173.359.8167.7170.1160.10113.8A27 Y33 D206A27-K29 HydrophobicContact CB-CG 3.97Å; A27-K29 PolarHBondContact O-N 2.88Å; A27-K29 VanDerWaalsContact O-N 3.07Å; K29-Y33 VanDerWaalsContact O-CD2 3.3Å; K29-Y33 WeakPolarHBondContact O-CD2 3.24Å; K29-Y33 WeakPolarHBondContact O-CE2 3.46Å; K29-D206 WeakPolarHBondContact CE-OD2 3.17Å; K29-D206 IonicContact NZ-OD1 3.86Å; K29-D206 IonicContact NZ-OD2 2.8Å; K29-D206 PolarHBondContact NZ-OD2 2.83Å
30Y95.5Very high94.8Very high11 Ų1156.8 Ų56.84%0.04331%0.31CS..THydrogen-bonded Turntrans-104.1-20.6-177.3-62.3-44.8000114.3A27 S28 P32 Y33 I34 F204 D206 I207 F221A27-Y30 HydrophobicContact CB-CD2 4.06Å; A27-Y30 PolarHBondContact O-N 2.96Å; S28-Y30 PolarHBondContact O-N 3.1Å; Y30-P32 VanDerWaalsContact C-N 3.31Å; Y30-P32 VanDerWaalsContact O-N 3.15Å; Y30-Y33 WeakPolarHBondContact O-CA 3.18Å; Y30-Y33 WeakPolarHBondContact O-CB 3.4Å; Y30-Y33 PolarHBondContact O-N 2.83Å; Y30-I34 PolarHBondContact O-N 3.21Å; Y30-F204 AromaticContact CD1-CD1 3.43Å; Y30-F204 HydrophobicContact CD1-CD1 3.43Å; Y30-F204 VanDerWaalsContact CD1-CD1 3.43Å; Y30-F204 AromaticContact CD1-CE1 3.34Å; Y30-F204 HydrophobicContact CD1-CE1 3.34Å; Y30-F204 HydrophobicContact CD1-CG 4.45Å; Y30-F204 HydrophobicContact CD1-CZ 4.31Å; Y30-F204 HydrophobicContact CD2-CD1 4.33Å; Y30-F204 AromaticContact CE1-CD1 3.73Å; Y30-F204 HydrophobicContact CE1-CD1 3.73Å; Y30-F204 AromaticContact CE1-CE1 3.85Å; Y30-F204 HydrophobicContact CE1-CE1 3.85Å; Y30-F204 HydrophobicContact CE1-CG 4.36Å; Y30-F204 AromaticContact CG-CD1 3.77Å; Y30-F204 HydrophobicContact CG-CD1 3.77Å; Y30-F204 AromaticContact CG-CE1 3.97Å; Y30-F204 HydrophobicContact CG-CE1 3.97Å; Y30-D206 WeakPolarHBondContact CE2-OD1 3.41Å; Y30-D206 PolarHBondContact OH-OD1 3.1Å; Y30-I207 HydrophobicContact CD2-CD1 3.73Å; Y30-I207 HydrophobicContact CD2-CG1 3.66Å; Y30-I207 HydrophobicContact CE2-CG1 4.2Å; Y30-I207 HydrophobicContact CG-CD1 3.98Å; Y30-I207 HydrophobicContact CG-CG1 4.41Å; Y30-F221 HydrophobicContact CE1-CZ 4.45Å
31T94.1Very high95Very high52 Ų5256.6 Ų56.632%0.31931%0.306SS..G310 helixtrans-47.9-43.4-178.3-52.30000114.1E21 A27 S28 Y33E21-T31 HydrophobicContact CG-CG2 3.72Å; A27-T31 PolarHBondContact O-N 3.36Å; S28-T31 PolarHBondContact O-N 2.82Å; T31-Y33 PolarHBondContact O-N 3.36Å
32P95.3Very high95.3Very high82 Ų8256.7 Ų56.753%0.53232%0.317SS..G310 helixtrans-67.9-14.5179.2-19.633.9000114.8Y30 N214Y30-P32 VanDerWaalsContact C-N 3.31Å; Y30-P32 VanDerWaalsContact O-N 3.15Å; P32-N214 PolarHBondContact O-ND2 3.29Å
33Y97.3Very high95.5Very high50 Ų5051.8 Ų51.820%0.19630%0.298CS..G310 helixtrans-108.2-15.4-169.8-57.9-59.2000113K29 Y30 T31 I213 N214 E216 A217 T220 F221K29-Y33 VanDerWaalsContact O-CD2 3.3Å; K29-Y33 WeakPolarHBondContact O-CD2 3.24Å; K29-Y33 WeakPolarHBondContact O-CE2 3.46Å; Y30-Y33 WeakPolarHBondContact O-CA 3.18Å; Y30-Y33 WeakPolarHBondContact O-CB 3.4Å; Y30-Y33 PolarHBondContact O-N 2.83Å; T31-Y33 PolarHBondContact O-N 3.36Å; Y33-I213 WeakPolarHBondContact O-CA 3.07Å; Y33-N214 PolarHBondContact O-N 3.32Å; Y33-N214 PolarHBondContact O-OD1 2.96Å; Y33-E216 HydrophobicContact CD1-CG 4.32Å; Y33-E216 HydrophobicContact CE1-CG 4.08Å; Y33-A217 HydrophobicContact CD1-CB 4.08Å; Y33-A217 HydrophobicContact CG-CB 4.19Å; Y33-T220 HydrophobicContact CE1-CG2 4.17Å; Y33-T220 WeakPolarHBondContact CE1-OG1 3.37Å; Y33-F221 HydrophobicContact CD1-CE2 4.05Å; Y33-F221 AromaticContact CD2-CE2 3.59Å; Y33-F221 HydrophobicContact CD2-CE2 3.59Å; Y33-F221 AromaticContact CD2-CZ 3.9Å; Y33-F221 HydrophobicContact CD2-CZ 3.9Å; Y33-F221 HydrophobicContact CE1-CE2 4.16Å; Y33-F221 AromaticContact CE2-CE2 3.73Å; Y33-F221 HydrophobicContact CE2-CE2 3.73Å; Y33-F221 AromaticContact CE2-CZ 3.73Å; Y33-F221 HydrophobicContact CE2-CZ 3.73Å; Y33-F221 AromaticContact CG-CE2 3.77Å; Y33-F221 HydrophobicContact CG-CE2 3.77Å
34I97.5Very high95.7Very high9 Ų946.9 Ų46.95%0.04627%0.265CS..EExtended strand (participates in β ladder)trans-82.6121.2176.9-59.7-48.7000109.2L26 Y30 V194 F204 I207 C211 I213L26-I34 HydrophobicContact CD1-CG1 4.49Å; Y30-I34 PolarHBondContact O-N 3.21Å; I34-V194 HydrophobicContact CD1-CG2 4.34Å; I34-F204 HydrophobicContact CD1-CD1 4.37Å; I34-F204 HydrophobicContact CD1-CE1 4.48Å; I34-I207 HydrophobicContact CD1-CD1 3.67Å; I34-I207 HydrophobicContact CG1-CD1 4.25Å; I34-C211 HydrophobicContact CD1-CB 4Å; I34-C211 HydrophobicContact CG2-CB 4.03Å; I34-I213 HydrophobicContact CD1-CG2 4.22Å
35E96.9Very high95.9Very high110 Ų11046.2 Ų46.251%0.51426%0.262SS..EExtended strand (participates in β ladder)trans-78-47.3173.1175.8-171.2-151.300110.3S212 N214E35-S212 WeakPolarHBondContact CB-OG 3.38Å; E35-S212 PolarHBondContact N-O 2.81Å; E35-S212 WeakPolarHBondContact OE2-CB 3.27Å; E35-S212 PolarHBondContact OE2-OG 2.92Å; E35-N214 HydrophobicContact CB-CB 4.23Å
36S97.3Very high96.2Very high4 Ų444.6 Ų44.63%0.02825%0.253CS..EExtended strand (participates in β ladder)trans-160.8153.9178.567.80000112P17 I38 C211 S212P17-S36 VanDerWaalsContact O-CB 3.23Å; P17-S36 WeakPolarHBondContact O-CB 3.25Å; S36-I38 VanDerWaalsContact OG-CD1 3.29Å; S36-I38 WeakPolarHBondContact OG-CD1 2.93Å; S36-C211 CarbonylContact O-C 3.38Å; S36-C211 VanDerWaalsContact O-CA 3.27Å; S36-C211 WeakPolarHBondContact O-CA 3.31Å; S36-C211 WeakPolarHBondContact O-CB 3.46Å; S36-S212 PolarHBondContact O-N 2.88Å; S36-S212 PolarHBondContact OG-OG 2.83Å
37I97.9Very high96.6Very high0 Ų044.8 Ų44.80%025%0.252CS..EExtended strand (participates in β ladder)trans-86.2117.6166.3-65.4163.6000108.1G18 Y19 F24 L26 P40 H209G18-I37 CarbonylContact C-O 3.54Å; G18-I37 VanDerWaalsContact CA-O 3.26Å; G18-I37 WeakPolarHBondContact CA-O 3.14Å; Y19-I37 PolarHBondContact N-O 3.48Å; Y19-I37 PolarHBondContact O-N 3.37Å; F24-I37 HydrophobicContact CB-CD1 3.57Å; F24-I37 HydrophobicContact CD1-CD1 4.22Å; F24-I37 HydrophobicContact CD2-CD1 3.29Å; F24-I37 HydrophobicContact CE2-CD1 4.03Å; F24-I37 HydrophobicContact CG-CD1 3.41Å; F24-I37 VanDerWaalsContact CG-CD1 3.41Å; L26-I37 HydrophobicContact CD1-CD1 4.03Å; L26-I37 HydrophobicContact CD1-CG1 4.38Å; I37-P40 HydrophobicContact CG2-CG 4.18Å; I37-H209 HydrophobicContact CG1-CB 4.47Å; I37-H209 HydrophobicContact CG2-CB 3.86Å
38I98.2Very high97Very high1 Ų142.8 Ų42.81%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-86.1-46.1-179-55.4-60.3000110.7I12 S36 V188 I193 I210I12-I38 HydrophobicContact CG2-CG2 4.16Å; S36-I38 VanDerWaalsContact OG-CD1 3.29Å; S36-I38 WeakPolarHBondContact OG-CD1 2.93Å; I38-V188 HydrophobicContact CG2-CG1 4.21Å; I38-I193 HydrophobicContact CG1-CD1 4.1Å; I38-I210 HydrophobicContact CB-CG2 4.44Å; I38-I210 PolarHBondContact N-O 2.7Å
39V98.3Very high97.3Very high0 Ų042.2 Ų42.20%022%0.222CC..EExtended strand (participates in β ladder)trans-133110.6177.5-166.10000109.8M43 I44 F186 I210V39-M43 HydrophobicContact CG1-CB 4.04Å; V39-M43 HydrophobicContact CG1-CG 4.1Å; V39-M43 HydrophobicContact CG1-SD 3.91Å; V39-I44 HydrophobicContact CB-CG1 4.24Å; V39-I44 HydrophobicContact CG1-CG1 3.64Å; V39-F186 HydrophobicContact CG1-CD1 4.13Å; V39-F186 HydrophobicContact CG1-CE1 3.59Å; V39-F186 HydrophobicContact CG1-CE2 4.07Å; V39-F186 HydrophobicContact CG1-CZ 3.57Å; V39-F186 HydrophobicContact CG2-CD1 4.09Å; V39-F186 HydrophobicContact CG2-CE1 4.39Å; V39-F186 HydrophobicContact CG2-CG 4.25Å; V39-I210 HydrophobicContact CB-CB 3.97Å; V39-I210 HydrophobicContact CB-CD1 4.09Å; V39-I210 HydrophobicContact CB-CG1 4.45Å; V39-I210 HydrophobicContact CG2-CB 4.27Å; V39-I210 HydrophobicContact CG2-CD1 4.25Å; V39-I210 HydrophobicContact CG2-CG2 4.45Å; V39-I210 PolarHBondContact N-O 3.3Å; V39-I210 PolarHBondContact O-N 3.17Å
40P98.3Very high97.4Very high19 Ų1941.2 Ų41.212%0.12322%0.217CC..  trans-60.7151.7172.8-25.936.2000112.7Y19 F24 I37 G42 M43 I44Y19-P40 HydrophobicContact CD2-CG 3.72Å; Y19-P40 HydrophobicContact CE2-CG 3.67Å; F24-P40 HydrophobicContact CE1-CB 3.83Å; F24-P40 HydrophobicContact CE1-CG 4.05Å; F24-P40 HydrophobicContact CZ-CB 4.21Å; F24-P40 HydrophobicContact CZ-CG 3.91Å; I37-P40 HydrophobicContact CG2-CG 4.18Å; P40-G42 VanDerWaalsContact C-N 3.31Å; P40-G42 PolarHBondContact O-N 3.45Å; P40-M43 WeakPolarHBondContact O-CB 3.48Å; P40-M43 PolarHBondContact O-N 2.86Å; P40-M43 VanDerWaalsContact O-N 3.11Å; P40-I44 PolarHBondContact O-N 3.04Å
41N98.1Very high97.4Very high43 Ų4340.7 Ų40.723%0.2322%0.215CC..Hα-helixtrans-58.2-42.3-174.6-175.4-98.9000112.4M43 I44 K45 P208 H209N41-M43 VanDerWaalsContact C-N 3.33Å; N41-M43 PolarHBondContact O-N 3.47Å; N41-I44 WeakPolarHBondContact O-CB 3.47Å; N41-I44 PolarHBondContact O-N 3.49Å; N41-I44 VanDerWaalsContact O-N 3.15Å; N41-K45 WeakPolarHBondContact O-CG 3.49Å; N41-K45 PolarHBondContact O-N 3.03Å; N41-P208 HydrophobicContact CB-CB 4.31Å; N41-P208 WeakPolarHBondContact CB-O 3.31Å; N41-P208 PolarHBondContact ND2-O 2.58Å; N41-H209 WeakPolarHBondContact CB-ND1 3.41Å; N41-H209 PolarHBondContact N-ND1 2.73Å
42G98Very high97.5Very high41 Ų4138.2 Ų38.242%0.42320%0.2SC..Hα-helixtrans-58.4-44.1178.500000112.5P40 I44 K45 D46P40-G42 VanDerWaalsContact C-N 3.31Å; P40-G42 PolarHBondContact O-N 3.45Å; G42-I44 VanDerWaalsContact C-N 3.3Å; G42-I44 PolarHBondContact O-N 3.4Å; G42-K45 WeakPolarHBondContact O-CB 3.43Å; G42-K45 PolarHBondContact O-N 3.32Å; G42-K45 VanDerWaalsContact O-N 3.07Å; G42-D46 PolarHBondContact O-N 3.29Å
43M98.3Very high97.5Very high72 Ų7237 Ų3736%0.35519%0.189SC..Hα-helixtrans-63.7-36.5177.4-171.6-177.2-16800112.2V10 V39 P40 N41 R47 F186V10-M43 HydrophobicContact CG1-CE 3.7Å; V39-M43 HydrophobicContact CG1-CB 4.04Å; V39-M43 HydrophobicContact CG1-CG 4.1Å; V39-M43 HydrophobicContact CG1-SD 3.91Å; P40-M43 WeakPolarHBondContact O-CB 3.48Å; P40-M43 PolarHBondContact O-N 2.86Å; P40-M43 VanDerWaalsContact O-N 3.11Å; N41-M43 VanDerWaalsContact C-N 3.33Å; N41-M43 PolarHBondContact O-N 3.47Å; M43-R47 WeakPolarHBondContact O-CB 3.49Å; M43-R47 PolarHBondContact O-N 2.81Å; M43-F186 HydrophobicContact CE-CE1 4.01Å; M43-F186 HydrophobicContact CG-CE1 4.02Å; M43-F186 HydrophobicContact CG-CZ 4.24Å; M43-F186 HydrophobicContact SD-CE1 4.08Å
44I98.6Very high97.3Very high0 Ų035.3 Ų35.30%018%0.183CC..Hα-helixtrans-58.4-51.9171.5-57.8168.8000109.1V39 P40 N41 G42 D46 R47 L48 L168 F186 Y196 I210V39-I44 HydrophobicContact CB-CG1 4.24Å; V39-I44 HydrophobicContact CG1-CG1 3.64Å; P40-I44 PolarHBondContact O-N 3.04Å; N41-I44 WeakPolarHBondContact O-CB 3.47Å; N41-I44 PolarHBondContact O-N 3.49Å; N41-I44 VanDerWaalsContact O-N 3.15Å; G42-I44 VanDerWaalsContact C-N 3.3Å; G42-I44 PolarHBondContact O-N 3.4Å; I44-D46 PolarHBondContact O-N 3.33Å; I44-R47 PolarHBondContact O-N 3.43Å; I44-R47 VanDerWaalsContact O-N 3.12Å; I44-L48 HydrophobicContact CG2-CD1 4.27Å; I44-L48 HydrophobicContact CG2-CG 4.19Å; I44-L48 VanDerWaalsContact O-CG 3.29Å; I44-L48 WeakPolarHBondContact O-CG 3.25Å; I44-L48 PolarHBondContact O-N 3.21Å; I44-L168 HydrophobicContact CG2-CD1 4.1Å; I44-F186 HydrophobicContact CG1-CE2 4.46Å; I44-Y196 HydrophobicContact CD1-CD1 4.38Å; I44-Y196 HydrophobicContact CD1-CD2 3.91Å; I44-Y196 HydrophobicContact CD1-CE2 4.35Å; I44-Y196 HydrophobicContact CD1-CG 3.92Å; I44-Y196 HydrophobicContact CG2-CD1 4.44Å; I44-Y196 HydrophobicContact CG2-CE1 3.86Å; I44-Y196 HydrophobicContact CG2-CE2 4.08Å; I44-I210 HydrophobicContact CD1-CD1 3.69Å; I44-I210 HydrophobicContact CD1-CG1 3.71Å; I44-I210 HydrophobicContact CG1-CD1 4.05Å
45K98.4Very high97.2Very high53 Ų5334.9 Ų34.923%0.2318%0.181CC..Hα-helixtrans-58.7-43.4-178.3-62.3-56.1-168.5164.40113.1N41 G42 R47 L48 E49 D82N41-K45 WeakPolarHBondContact O-CG 3.49Å; N41-K45 PolarHBondContact O-N 3.03Å; G42-K45 WeakPolarHBondContact O-CB 3.43Å; G42-K45 PolarHBondContact O-N 3.32Å; G42-K45 VanDerWaalsContact O-N 3.07Å; K45-R47 VanDerWaalsContact C-N 3.33Å; K45-L48 PolarHBondContact O-N 2.72Å; K45-E49 PolarHBondContact O-N 3.46Å; K45-D82 IonicContact NZ-OD1 2.81Å; K45-D82 PolarHBondContact NZ-OD1 3.29Å; K45-D82 IonicContact NZ-OD2 2.79Å; K45-D82 PolarHBondContact NZ-OD2 2.95Å
46D98.2Very high97.1Very high112 Ų11229.7 Ų29.760%0.59916%0.156SC*.Hα-helixtrans-63.8-42177-66.4-15.6000110.9G42 I44 L48 E49 K50G42-D46 PolarHBondContact O-N 3.29Å; I44-D46 PolarHBondContact O-N 3.33Å; D46-L48 PolarHBondContact O-N 2.9Å; D46-E49 WeakPolarHBondContact O-CB 3.31Å; D46-E49 PolarHBondContact O-N 3.42Å; D46-K50 PolarHBondContact O-N 3.26Å
47R97.9Very high96.9Very high24 Ų2433.8 Ų33.89%0.09118%0.175CC..Hα-helixtrans-64.6-41.8177.6-17862-166.7115.31.9111.9N8 M43 I44 K45 E49 K50 M51 V184 G185 F186N8-R47 PolarHBondContact O-NH2 3.27Å; M43-R47 WeakPolarHBondContact O-CB 3.49Å; M43-R47 PolarHBondContact O-N 2.81Å; I44-R47 PolarHBondContact O-N 3.43Å; I44-R47 VanDerWaalsContact O-N 3.12Å; K45-R47 VanDerWaalsContact C-N 3.33Å; R47-E49 PolarHBondContact O-N 3.36Å; R47-K50 PolarHBondContact O-N 2.78Å; R47-M51 HydrophobicContact CG-CG 4.43Å; R47-M51 HydrophobicContact CG-SD 4.19Å; R47-M51 VanDerWaalsContact CZ-CG 3.48Å; R47-M51 WeakPolarHBondContact O-CG 3.45Å; R47-M51 PolarHBondContact O-N 3.1Å; R47-V184 PolarHBondContact NH2-O 3.05Å; R47-G185 PolarHBondContact NE-O 2.73Å; R47-G185 VanDerWaalsContact NE-O 3.08Å; R47-F186 HydrophobicContact CB-CE1 4.35Å; R47-F186 HydrophobicContact CB-CE2 3.86Å; R47-F186 HydrophobicContact CB-CZ 3.48Å; R47-F186 VanDerWaalsContact CB-CZ 3.48Å; R47-F186 HydrophobicContact CG-CD2 4.5Å; R47-F186 HydrophobicContact CG-CE1 4.43Å; R47-F186 HydrophobicContact CG-CE2 3.81Å; R47-F186 HydrophobicContact CG-CZ 3.76Å
48L98.1Very high96.8Very high0 Ų034 Ų340%018%0.176CC..Hα-helixtrans-61.2-33.6177.3-66.4-167.4000112.6I44 K45 D46 M51 S52 F79 D82 L83 K86 L168 Y196I44-L48 HydrophobicContact CG2-CD1 4.27Å; I44-L48 HydrophobicContact CG2-CG 4.19Å; I44-L48 VanDerWaalsContact O-CG 3.29Å; I44-L48 WeakPolarHBondContact O-CG 3.25Å; I44-L48 PolarHBondContact O-N 3.21Å; K45-L48 PolarHBondContact O-N 2.72Å; D46-L48 PolarHBondContact O-N 2.9Å; L48-M51 HydrophobicContact CD2-SD 3.88Å; L48-M51 PolarHBondContact O-N 3.01Å; L48-S52 PolarHBondContact O-N 2.91Å; L48-F79 HydrophobicContact CD1-CD2 4.35Å; L48-F79 HydrophobicContact CD2-CD2 3.58Å; L48-F79 HydrophobicContact CD2-CE2 3.37Å; L48-D82 HydrophobicContact CD1-CB 3.6Å; L48-L83 HydrophobicContact CD2-CD1 4.42Å; L48-K86 HydrophobicContact CB-CG 4.28Å; L48-L168 HydrophobicContact CD2-CD1 4.22Å; L48-Y196 WeakPolarHBondContact CD1-OH 3.46Å
49E96.7Very high96.6Very high95 Ų9534 Ų3444%0.44418%0.176SC..Hα-helixtrans-66.7-40.9174.8-173.7162.4159.200112.4K45 D46 R47 S52 I53 K86K45-E49 PolarHBondContact O-N 3.46Å; D46-E49 WeakPolarHBondContact O-CB 3.31Å; D46-E49 PolarHBondContact O-N 3.42Å; R47-E49 PolarHBondContact O-N 3.36Å; E49-S52 PolarHBondContact O-N 2.97Å; E49-S52 PolarHBondContact O-OG 3.38Å; E49-I53 PolarHBondContact O-N 2.86Å; E49-K86 HydrophobicContact CB-CD 4.18Å; E49-K86 IonicContact OE2-NZ 2.63Å; E49-K86 PolarHBondContact OE2-NZ 3.02Å
50K95.9Very high96.4Very high88 Ų8836.3 Ų36.338%0.38319%0.187SC..Hα-helixtrans-67.4-39.5172.8-178.868.2-16575.20111.7D46 R47 S52 I53 D54D46-K50 PolarHBondContact O-N 3.26Å; R47-K50 PolarHBondContact O-N 2.78Å; K50-S52 VanDerWaalsContact C-N 3.33Å; K50-S52 PolarHBondContact O-N 2.92Å; K50-I53 PolarHBondContact O-N 3.01Å; K50-D54 IonicContact NZ-OD1 2.6Å; K50-D54 PolarHBondContact NZ-OD1 3.38Å; K50-D54 IonicContact NZ-OD2 2.73Å; K50-D54 PolarHBondContact NZ-OD2 3.16Å; K50-D54 PolarHBondContact O-N 2.93Å; K50-D54 VanDerWaalsContact O-OD2 3.1Å
51M96.6Very high96.2Very high0 Ų040.8 Ų40.80%021%0.209CC..Hα-helixtrans-61.7-39.3176.9-69.6176.273.700112R47 L48 I53 D54 I55 F79 L83 F183 G185R47-M51 HydrophobicContact CG-CG 4.43Å; R47-M51 HydrophobicContact CG-SD 4.19Å; R47-M51 VanDerWaalsContact CZ-CG 3.48Å; R47-M51 WeakPolarHBondContact O-CG 3.45Å; R47-M51 PolarHBondContact O-N 3.1Å; L48-M51 HydrophobicContact CD2-SD 3.88Å; L48-M51 PolarHBondContact O-N 3.01Å; M51-I53 VanDerWaalsContact C-N 3.29Å; M51-I53 PolarHBondContact O-N 3.32Å; M51-D54 PolarHBondContact O-N 3.23Å; M51-I55 HydrophobicContact CB-CD1 4.49Å; M51-I55 WeakPolarHBondContact O-CB 3.49Å; M51-I55 WeakPolarHBondContact O-CD1 3.26Å; M51-I55 VanDerWaalsContact O-CG1 3.26Å; M51-I55 WeakPolarHBondContact O-CG1 3.31Å; M51-I55 PolarHBondContact O-N 3.27Å; M51-F79 HydrophobicContact CE-CE2 4.08Å; M51-F79 HydrophobicContact CE-CZ 3.76Å; M51-F79 HydrophobicContact SD-CE2 4.46Å; M51-L83 HydrophobicContact CB-CD1 4.1Å; M51-F183 HydrophobicContact CE-CB 4.19Å; M51-G185 VanDerWaalsContact SD-CA 3.58Å
52S95.7Very high96Very high0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-62.4-37.5179.467.20000112.5L48 E49 K50 L56 K86 S90L48-S52 PolarHBondContact O-N 2.91Å; E49-S52 PolarHBondContact O-N 2.97Å; E49-S52 PolarHBondContact O-OG 3.38Å; K50-S52 VanDerWaalsContact C-N 3.33Å; K50-S52 PolarHBondContact O-N 2.92Å; S52-L56 WeakPolarHBondContact O-CB 3.37Å; S52-L56 WeakPolarHBondContact O-CG 3.35Å; S52-L56 PolarHBondContact O-N 3.18Å; S52-L56 VanDerWaalsContact O-N 3.16Å; S52-K86 VanDerWaalsContact CB-C 3.48Å; S52-K86 PolarHBondContact OG-O 2.89Å; S52-S90 PolarHBondContact OG-OG 3.39Å
53I94.2Very high95.9Very high57 Ų5745.6 Ų45.629%0.29223%0.225SC..Hα-helixtrans-63-49.5174.3-64.2169.7000110.5E49 K50 M51 I55 L56 E57 R94E49-I53 PolarHBondContact O-N 2.86Å; K50-I53 PolarHBondContact O-N 3.01Å; M51-I53 VanDerWaalsContact C-N 3.29Å; M51-I53 PolarHBondContact O-N 3.32Å; I53-I55 PolarHBondContact O-N 2.91Å; I53-L56 PolarHBondContact O-N 2.71Å; I53-E57 WeakPolarHBondContact CG2-OE1 3.26Å; I53-E57 WeakPolarHBondContact O-CG 3.34Å; I53-E57 PolarHBondContact O-N 2.83Å; I53-R94 PolarHBondContact O-NH2 2.8Å
54D94.9Very high95.7Very high14 Ų1442.1 Ų42.18%0.07521%0.208CC..Hα-helixtrans-62.2-42.4-178.6-69.9-42.9000112.4K50 M51 T58 F183K50-D54 IonicContact NZ-OD1 2.6Å; K50-D54 PolarHBondContact NZ-OD1 3.38Å; K50-D54 IonicContact NZ-OD2 2.73Å; K50-D54 PolarHBondContact NZ-OD2 3.16Å; K50-D54 PolarHBondContact O-N 2.93Å; K50-D54 VanDerWaalsContact O-OD2 3.1Å; M51-D54 PolarHBondContact O-N 3.23Å; D54-T58 WeakPolarHBondContact O-CB 3.26Å; D54-T58 PolarHBondContact O-N 3.23Å; D54-T58 PolarHBondContact O-OG1 3.36Å; D54-F183 HydrophobicContact CB-CD1 4.28Å; D54-F183 HydrophobicContact CB-CE1 4.28Å
55I95.6Very high95.5Very high0 Ų047.4 Ų47.40%024%0.24CC..Hα-helixtrans-62.4-48.9179.2-74.2165000110.3M51 I53 T58 F59 I67 L83 I87 L136 F183M51-I55 HydrophobicContact CB-CD1 4.49Å; M51-I55 WeakPolarHBondContact O-CB 3.49Å; M51-I55 WeakPolarHBondContact O-CD1 3.26Å; M51-I55 VanDerWaalsContact O-CG1 3.26Å; M51-I55 WeakPolarHBondContact O-CG1 3.31Å; M51-I55 PolarHBondContact O-N 3.27Å; I53-I55 PolarHBondContact O-N 2.91Å; I55-T58 WeakPolarHBondContact O-CB 3.46Å; I55-T58 PolarHBondContact O-N 3.48Å; I55-F59 HydrophobicContact CG2-CD2 3.66Å; I55-F59 HydrophobicContact CG2-CE2 3.77Å; I55-F59 VanDerWaalsContact O-CD2 3.26Å; I55-F59 WeakPolarHBondContact O-CD2 3.39Å; I55-F59 PolarHBondContact O-N 2.95Å; I55-I67 HydrophobicContact CG2-CD1 4.31Å; I55-L83 HydrophobicContact CD1-CD1 3.93Å; I55-L83 HydrophobicContact CD1-CD2 3.83Å; I55-L83 HydrophobicContact CD1-CG 4.28Å; I55-I87 HydrophobicContact CB-CD1 4.45Å; I55-I87 HydrophobicContact CD1-CD1 4.07Å; I55-I87 HydrophobicContact CG2-CD1 3.87Å; I55-I87 HydrophobicContact CG2-CG1 4.47Å; I55-L136 HydrophobicContact CD1-CD2 4.11Å; I55-L136 HydrophobicContact CG2-CD2 3.96Å; I55-F183 HydrophobicContact CB-CE1 4.45Å; I55-F183 HydrophobicContact CB-CZ 4.36Å; I55-F183 HydrophobicContact CD1-CD2 4.46Å; I55-F183 HydrophobicContact CD1-CG 4.39Å; I55-F183 HydrophobicContact CG1-CB 4.49Å; I55-F183 HydrophobicContact CG1-CD1 3.75Å; I55-F183 HydrophobicContact CG1-CD2 3.78Å; I55-F183 HydrophobicContact CG1-CE1 3.82Å; I55-F183 HydrophobicContact CG1-CE2 3.84Å; I55-F183 HydrophobicContact CG1-CG 3.72Å; I55-F183 HydrophobicContact CG1-CZ 3.86Å
56L94.7Very high95.3Very high1 Ų145.7 Ų45.71%0.00524%0.236CC..Hα-helixtrans-63.9-44.4179.5-78.2168.2000112.1S52 I53 T58 F59 E60 I67 I87 A91 I98S52-L56 WeakPolarHBondContact O-CB 3.37Å; S52-L56 WeakPolarHBondContact O-CG 3.35Å; S52-L56 PolarHBondContact O-N 3.18Å; S52-L56 VanDerWaalsContact O-N 3.16Å; I53-L56 PolarHBondContact O-N 2.71Å; L56-T58 PolarHBondContact O-N 3.47Å; L56-F59 PolarHBondContact O-N 2.8Å; L56-E60 WeakPolarHBondContact O-CB 3.33Å; L56-E60 VanDerWaalsContact O-CG 3.24Å; L56-E60 WeakPolarHBondContact O-CG 3.26Å; L56-E60 PolarHBondContact O-N 3.29Å; L56-I67 HydrophobicContact CD2-CD1 4.21Å; L56-I87 HydrophobicContact CD1-CG2 4.04Å; L56-I87 HydrophobicContact CD2-CG2 3.73Å; L56-I87 HydrophobicContact CG-CG2 3.78Å; L56-A91 HydrophobicContact CD1-CB 4.05Å; L56-A91 HydrophobicContact CD2-CB 4.15Å; L56-I98 HydrophobicContact CD2-CB 4.38Å; L56-I98 HydrophobicContact CD2-CD1 4.45Å
57E93.3Very high95.3Very high90 Ų9040.3 Ų40.342%0.42121%0.207SC..Hα-helixtrans-58-41.6176.2-73174.7-175.900111.3I53 E60 L61 R94I53-E57 WeakPolarHBondContact CG2-OE1 3.26Å; I53-E57 WeakPolarHBondContact O-CG 3.34Å; I53-E57 PolarHBondContact O-N 2.83Å; E57-E60 PolarHBondContact O-N 3.35Å; E57-L61 WeakPolarHBondContact O-CB 3.46Å; E57-L61 VanDerWaalsContact O-CG 3.23Å; E57-L61 WeakPolarHBondContact O-CG 3.42Å; E57-L61 PolarHBondContact O-N 3.02Å; E57-R94 VanDerWaalsContact CG-NH2 3.29Å; E57-R94 IonicContact OE1-NH2 2.57Å; E57-R94 PolarHBondContact OE1-NH2 3.47Å
58T94.7Very high95.2Very high5 Ų539.7 Ų39.73%0.03121%0.206CC..Hα-helixtrans-63-49.1177.2-58.50000111.5Y5 D54 I55 L56 E60 L61 L62 L164 F183Y5-T58 HydrophobicContact CE1-CG2 4.2Å; Y5-T58 VanDerWaalsContact CE1-OG1 3.25Å; Y5-T58 WeakPolarHBondContact CE1-OG1 3.43Å; Y5-T58 VanDerWaalsContact CZ-OG1 3.32Å; Y5-T58 WeakPolarHBondContact OH-CG2 3.41Å; D54-T58 WeakPolarHBondContact O-CB 3.26Å; D54-T58 PolarHBondContact O-N 3.23Å; D54-T58 PolarHBondContact O-OG1 3.36Å; I55-T58 WeakPolarHBondContact O-CB 3.46Å; I55-T58 PolarHBondContact O-N 3.48Å; L56-T58 PolarHBondContact O-N 3.47Å; T58-E60 VanDerWaalsContact C-N 3.32Å; T58-E60 PolarHBondContact O-N 2.89Å; T58-L61 PolarHBondContact O-N 2.92Å; T58-L62 HydrophobicContact CG2-CD1 4.3Å; T58-L62 WeakPolarHBondContact O-CG 3.31Å; T58-L62 PolarHBondContact O-N 3.04Å; T58-L164 HydrophobicContact CG2-CD1 3.61Å; T58-F183 HydrophobicContact CG2-CZ 3.95Å
59F94.9Very high95.2Very high0 Ų039.7 Ų39.70%021%0.206CC..Hα-helixtrans-68.1-31179.4-81.6-63.2000112.7I55 L56 L62 N63 A64 I67 I98 D134 L136 L164I55-F59 HydrophobicContact CG2-CD2 3.66Å; I55-F59 HydrophobicContact CG2-CE2 3.77Å; I55-F59 VanDerWaalsContact O-CD2 3.26Å; I55-F59 WeakPolarHBondContact O-CD2 3.39Å; I55-F59 PolarHBondContact O-N 2.95Å; L56-F59 PolarHBondContact O-N 2.8Å; F59-L62 HydrophobicContact CD1-CD1 4.24Å; F59-L62 HydrophobicContact CE1-CD1 4.49Å; F59-L62 PolarHBondContact O-N 3.12Å; F59-N63 PolarHBondContact O-N 2.63Å; F59-A64 HydrophobicContact CB-CB 3.87Å; F59-A64 HydrophobicContact CD1-CB 3.86Å; F59-A64 HydrophobicContact CG-CB 4.29Å; F59-A64 WeakPolarHBondContact O-CB 3.37Å; F59-A64 PolarHBondContact O-N 2.96Å; F59-I67 HydrophobicContact CB-CD1 4.07Å; F59-I67 HydrophobicContact CB-CG1 4.16Å; F59-I67 HydrophobicContact CD1-CG1 4.18Å; F59-I67 HydrophobicContact CD2-CD1 3.37Å; F59-I67 HydrophobicContact CD2-CG1 3.56Å; F59-I67 HydrophobicContact CD2-CG2 4.44Å; F59-I67 HydrophobicContact CE2-CD1 3.96Å; F59-I67 HydrophobicContact CE2-CG1 3.91Å; F59-I67 HydrophobicContact CE2-CG2 3.95Å; F59-I67 HydrophobicContact CG-CD1 3.84Å; F59-I67 HydrophobicContact CG-CG1 3.7Å; F59-I67 HydrophobicContact CZ-CG1 4.38Å; F59-I67 HydrophobicContact CZ-CG2 4.22Å; F59-I98 HydrophobicContact CB-CD1 4.47Å; F59-D134 HydrophobicContact CD1-CB 4.04Å; F59-D134 HydrophobicContact CE1-CB 3.72Å; F59-L136 HydrophobicContact CE2-CB 4.09Å; F59-L136 HydrophobicContact CE2-CD1 4.3Å; F59-L136 HydrophobicContact CE2-CD2 4.4Å; F59-L136 HydrophobicContact CE2-CG 4.5Å; F59-L136 HydrophobicContact CZ-CB 3.99Å; F59-L136 HydrophobicContact CZ-CD1 4.5Å; F59-L164 HydrophobicContact CE1-CD1 3.92Å; F59-L164 HydrophobicContact CE1-CG 4.47Å; F59-L164 HydrophobicContact CE2-CD1 4.15Å; F59-L164 HydrophobicContact CZ-CB 4.36Å; F59-L164 HydrophobicContact CZ-CD1 3.75Å; F59-L164 HydrophobicContact CZ-CG 4.27Å
60E93.5Very high95.3Very high48 Ų4835.2 Ų35.222%0.22419%0.185CC..Hα-helixtrans-63.2-46.3170.8-76175.3161.600111.7L56 E57 T58 L62 N63 R94 I98L56-E60 WeakPolarHBondContact O-CB 3.33Å; L56-E60 VanDerWaalsContact O-CG 3.24Å; L56-E60 WeakPolarHBondContact O-CG 3.26Å; L56-E60 PolarHBondContact O-N 3.29Å; E57-E60 PolarHBondContact O-N 3.35Å; T58-E60 VanDerWaalsContact C-N 3.32Å; T58-E60 PolarHBondContact O-N 2.89Å; E60-L62 VanDerWaalsContact C-N 3.25Å; E60-L62 PolarHBondContact O-N 2.87Å; E60-N63 WeakPolarHBondContact O-CA 3.32Å; E60-N63 PolarHBondContact O-N 3.24Å; E60-R94 WeakPolarHBondContact OE1-CD 3.3Å; E60-R94 IonicContact OE1-NE 2.58Å; E60-R94 IonicContact OE2-NE 2.88Å; E60-I98 HydrophobicContact CG-CD1 3.65Å
61L93.9Very high95.3Very high113 Ų11331 Ų3159%0.59217%0.166SC*.Hα-helixtrans-62.4-31.6175.3-71.2170.5000112.7P3 E57 T58 N63P3-L61 HydrophobicContact CG-CD1 3.47Å; P3-L61 VanDerWaalsContact CG-CD1 3.47Å; E57-L61 WeakPolarHBondContact O-CB 3.46Å; E57-L61 VanDerWaalsContact O-CG 3.23Å; E57-L61 WeakPolarHBondContact O-CG 3.42Å; E57-L61 PolarHBondContact O-N 3.02Å; T58-L61 PolarHBondContact O-N 2.92Å; L61-N63 PolarHBondContact O-N 3.16Å
62L94.7Very high95.4Very high69 Ų6931.1 Ų31.136%0.36117%0.167SC..THydrogen-bonded Turntrans-77.1-0.5172.8-66.5174.9000113.3T58 F59 E60 A64 R161 L164T58-L62 HydrophobicContact CG2-CD1 4.3Å; T58-L62 WeakPolarHBondContact O-CG 3.31Å; T58-L62 PolarHBondContact O-N 3.04Å; F59-L62 HydrophobicContact CD1-CD1 4.24Å; F59-L62 HydrophobicContact CE1-CD1 4.49Å; F59-L62 PolarHBondContact O-N 3.12Å; E60-L62 VanDerWaalsContact C-N 3.25Å; E60-L62 PolarHBondContact O-N 2.87Å; L62-A64 PolarHBondContact O-N 3.17Å; L62-R161 PolarHBondContact O-NH1 2.62Å; L62-R161 PolarHBondContact O-NH2 2.96Å; L62-L164 HydrophobicContact CD1-CD1 4.03Å
63N94.6Very high95.4Very high116 Ų11633 Ų3362%0.6218%0.177SC*.THydrogen-bonded Turntrans58.829.4-173-60.3-68.5000113.6F59 E60 L61 K96F59-N63 PolarHBondContact O-N 2.63Å; E60-N63 WeakPolarHBondContact O-CA 3.32Å; E60-N63 PolarHBondContact O-N 3.24Å; L61-N63 PolarHBondContact O-N 3.16Å; N63-K96 PolarHBondContact O-NZ 2.71Å
64A95.2Very high95.4Very high0 Ų035.5 Ų35.50%019%0.186CC..  trans-62.2138.617900000111.9F59 L62 K96 D134F59-A64 HydrophobicContact CB-CB 3.87Å; F59-A64 HydrophobicContact CD1-CB 3.86Å; F59-A64 HydrophobicContact CG-CB 4.29Å; F59-A64 WeakPolarHBondContact O-CB 3.37Å; F59-A64 PolarHBondContact O-N 2.96Å; L62-A64 PolarHBondContact O-N 3.17Å; A64-K96 WeakPolarHBondContact O-CE 3.22Å; A64-K96 PolarHBondContact O-NZ 3.41Å; A64-D134 WeakPolarHBondContact CA-OD2 3.45Å; A64-D134 HydrophobicContact CB-CB 4.35Å; A64-D134 VanDerWaalsContact CB-OD2 3.23Å; A64-D134 WeakPolarHBondContact CB-OD2 3.47Å
65T93.1Very high95.4Very high111 Ų11135.2 Ų35.268%0.68119%0.186SC*.SBendtrans-102.7-11176.254.10000112.2P99T65-P99 VanDerWaalsContact O-CD 3.26Å; T65-P99 WeakPolarHBondContact O-CD 3.26Å
66A95.2Very high95.5Very high16 Ų1635.2 Ų35.213%0.13219%0.186CC..  trans-160.3156.4173.800000109.5P99 F101A66-P99 CarbonylContact C-O 3.56Å; A66-P99 WeakPolarHBondContact CA-O 3.27Å; A66-P99 HydrophobicContact CB-CG 4.02Å; A66-F101 HydrophobicContact CB-CD2 4.09Å; A66-F101 HydrophobicContact CB-CE2 3.82Å
67I97Very high95.6Very high0 Ų039.7 Ų39.70%021%0.205CC..EExtended strand (participates in β ladder)trans-112.3125.7169.5-62.9165.7000108.2I55 L56 F59 I87 I98 P99 I100 F101 L136I55-I67 HydrophobicContact CG2-CD1 4.31Å; L56-I67 HydrophobicContact CD2-CD1 4.21Å; F59-I67 HydrophobicContact CB-CD1 4.07Å; F59-I67 HydrophobicContact CB-CG1 4.16Å; F59-I67 HydrophobicContact CD1-CG1 4.18Å; F59-I67 HydrophobicContact CD2-CD1 3.37Å; F59-I67 HydrophobicContact CD2-CG1 3.56Å; F59-I67 HydrophobicContact CD2-CG2 4.44Å; F59-I67 HydrophobicContact CE2-CD1 3.96Å; F59-I67 HydrophobicContact CE2-CG1 3.91Å; F59-I67 HydrophobicContact CE2-CG2 3.95Å; F59-I67 HydrophobicContact CG-CD1 3.84Å; F59-I67 HydrophobicContact CG-CG1 3.7Å; F59-I67 HydrophobicContact CZ-CG1 4.38Å; F59-I67 HydrophobicContact CZ-CG2 4.22Å; I67-I87 HydrophobicContact CD1-CG2 4.37Å; I67-I98 HydrophobicContact CD1-CG2 3.93Å; I67-I98 HydrophobicContact CG1-CG2 3.75Å; I67-P99 PolarHBondContact N-O 3.02Å; I67-I100 CarbonylContact O-C 3.59Å; I67-I100 WeakPolarHBondContact O-CA 3.43Å; I67-F101 PolarHBondContact O-N 3.47Å; I67-L136 HydrophobicContact CG2-CB 3.86Å; I67-L136 HydrophobicContact CG2-CD2 4.41Å
68N97.3Very high95.8Very high11 Ų1138.7 Ų38.76%0.05920%0.2CC..EExtended strand (participates in β ladder)trans-102.195.4174.3-58.7-100.2000107.5L70 F101 F130 K133 D134 V135 L136N68-L70 PolarHBondContact O-N 3.43Å; N68-F101 CarbonylContact C-O 3.53Å; N68-F130 HydrophobicContact CB-CD1 4.38Å; N68-F130 HydrophobicContact CB-CE1 4.11Å; N68-K133 VanDerWaalsContact OD1-CD 3.3Å; N68-K133 WeakPolarHBondContact OD1-CD 3.17Å; N68-D134 WeakPolarHBondContact CB-O 2.88Å; N68-D134 PolarHBondContact N-O 3.17Å; N68-D134 PolarHBondContact ND2-O 2.99Å; N68-V135 HydrophobicContact CB-CG2 4.49Å; N68-V135 CarbonylContact O-C 3.59Å; N68-V135 VanDerWaalsContact O-CA 3.3Å; N68-V135 WeakPolarHBondContact O-CA 3.26Å; N68-L136 PolarHBondContact O-N 2.93Å
69L97.8Very high96Very high0 Ų038.5 Ų38.50%020%0.198CC..EExtended strand (participates in β ladder)trans-77.8115.5-179.3-168.3161.5000109.2C71 A80 I100 F101 M102 D103 L136 V138L69-C71 HydrophobicContact CD2-CB 4.23Å; L69-A80 HydrophobicContact CD2-CB 3.91Å; L69-I100 HydrophobicContact CB-CG2 4.2Å; L69-F101 PolarHBondContact N-O 3.13Å; L69-M102 HydrophobicContact CD1-CE 4.42Å; L69-M102 HydrophobicContact CD2-CE 4.26Å; L69-M102 HydrophobicContact CD2-CG 4.39Å; L69-M102 CarbonylContact O-C 3.58Å; L69-M102 WeakPolarHBondContact O-CA 3.35Å; L69-D103 PolarHBondContact O-N 3.29Å; L69-L136 CarbonylContact C-O 3.5Å; L69-L136 WeakPolarHBondContact CA-O 3.45Å; L69-V138 HydrophobicContact CD1-CG2 3.97Å; L69-V138 HydrophobicContact CD2-CB 4.03Å; L69-V138 HydrophobicContact CD2-CG2 3.59Å; L69-V138 HydrophobicContact CG-CG2 3.55Å
70L97.8Very high96.2Very high0 Ų038.5 Ų38.50%020%0.198CC..EExtended strand (participates in β ladder)trans-100.3105.3173.9-178.865.9000109.6N68 D103 I105 F130 V135 L136 I137 V138 I155N68-L70 PolarHBondContact O-N 3.43Å; L70-D103 HydrophobicContact CD1-CB 4.11Å; L70-I105 HydrophobicContact CD1-CB 4.02Å; L70-I105 HydrophobicContact CD1-CG2 3.99Å; L70-I105 HydrophobicContact CD2-CG2 3.97Å; L70-I105 HydrophobicContact CG-CB 4.45Å; L70-I105 HydrophobicContact CG-CG2 3.89Å; L70-F130 HydrophobicContact CB-CZ 4.37Å; L70-F130 HydrophobicContact CD1-CE2 4.23Å; L70-F130 HydrophobicContact CD1-CZ 4.1Å; L70-F130 HydrophobicContact CD2-CE2 4.1Å; L70-V135 HydrophobicContact CB-CG1 4.22Å; L70-L136 PolarHBondContact N-O 3.21Å; L70-I137 HydrophobicContact CD2-CG1 4.31Å; L70-I137 WeakPolarHBondContact O-CA 3.49Å; L70-V138 PolarHBondContact O-N 3.43Å; L70-I155 HydrophobicContact CD2-CD1 3.58Å; L70-I155 HydrophobicContact CD2-CG1 3.87Å
71C97.8Very high96.4Very high0 Ų038.7 Ų38.70%021%0.205CC..EExtended strand (participates in β ladder)trans-79.8126.3176.7176.10000110.9L69 L73 G76 F77 A80 D103 F104 I105L69-C71 HydrophobicContact CD2-CB 4.23Å; C71-L73 PolarHBondContact O-N 3.48Å; C71-G76 VanDerWaalsContact SG-C 3.57Å; C71-F77 VanDerWaalsContact SG-CA 3.57Å; C71-A80 HydrophobicContact CB-CB 3.67Å; C71-A80 VanDerWaalsContact SG-CB 3.51Å; C71-D103 PolarHBondContact N-O 3.32Å; C71-F104 HydrophobicContact CB-CD1 3.67Å; C71-F104 HydrophobicContact CB-CE1 3.98Å; C71-F104 WeakPolarHBondContact O-CA 3.33Å; C71-I105 PolarHBondContact O-N 3.48Å
72V96.7Very high96.6Very high2 Ų233.6 Ų33.61%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-84.4111.2170.7-1720000109.4G76 I105 I137 V138 E139 L151V72-G76 WeakPolarHBondContact O-CA 3.36Å; V72-G76 PolarHBondContact O-N 2.93Å; V72-I105 WeakPolarHBondContact CA-O 3.29Å; V72-I105 HydrophobicContact CG2-CG2 4.11Å; V72-I137 HydrophobicContact CG2-CG2 3.91Å; V72-V138 PolarHBondContact N-O 2.79Å; V72-E139 WeakPolarHBondContact CG1-OE1 3.42Å; V72-E139 WeakPolarHBondContact CG1-OE2 3.48Å; V72-L151 HydrophobicContact CG2-CD2 3.56Å
73L96Very high96.8Very high40 Ų4030.3 Ų30.321%0.20916%0.161CC..EExtended strand (participates in β ladder)trans-88.7152.6-179-70.2-177.8000111.8C71 F77 F104 I105 V106 S107C71-L73 PolarHBondContact O-N 3.48Å; L73-F77 HydrophobicContact CD2-CB 3.61Å; L73-F104 HydrophobicContact CD1-CB 3.74Å; L73-F104 HydrophobicContact CD1-CD1 3.84Å; L73-F104 HydrophobicContact CD1-CG 4.08Å; L73-F104 HydrophobicContact CD2-CD1 3.91Å; L73-F104 HydrophobicContact CD2-CE1 4.46Å; L73-F104 HydrophobicContact CG-CB 4.21Å; L73-F104 HydrophobicContact CG-CD1 3.91Å; L73-F104 HydrophobicContact CG-CG 4.5Å; L73-I105 PolarHBondContact N-O 3.18Å; L73-V106 HydrophobicContact CB-CG2 4.04Å; L73-V106 HydrophobicContact CD1-CG2 4.28Å; L73-S107 PolarHBondContact O-N 3.45Å
74K94.9Very high96.9Very high110 Ų11026 Ų2648%0.47814%0.14SC..THydrogen-bonded Turncis-85.4-37.11.1-63.1-179.4-166.3166.10113.2G76 F77 D202K74-G76 VanDerWaalsContact C-N 3.29Å; K74-G76 PolarHBondContact O-N 3.4Å; K74-F77 WeakPolarHBondContact O-CB 3.43Å; K74-F77 WeakPolarHBondContact O-CD1 3.26Å; K74-F77 PolarHBondContact O-N 3.03Å; K74-F77 VanDerWaalsContact O-N 3.1Å; K74-D202 IonicContact NZ-OD1 3Å; K74-D202 PolarHBondContact NZ-OD1 3.08Å; K74-D202 IonicContact NZ-OD2 3.38Å; K74-D202 PolarHBondContact NZ-OD2 3.38Å
75G95.1Very high97Very high7 Ų731.1 Ų31.17%0.07216%0.164CC..THydrogen-bonded Turntrans-61-31.3-165.900000115.1F77 D140 A197G75-F77 VanDerWaalsContact C-N 3.26Å; G75-F77 PolarHBondContact O-N 3.02Å; G75-D140 VanDerWaalsContact C-OD2 3.3Å; G75-D140 WeakPolarHBondContact CA-OD2 3.22Å; G75-A197 WeakPolarHBondContact CA-O 3.49Å; G75-A197 VanDerWaalsContact O-CB 3.27Å; G75-A197 WeakPolarHBondContact O-CB 3.36Å
76G96.5Very high97.1Very high0 Ų028.2 Ų28.20%014%0.142CC..THydrogen-bonded Turntrans-68.9-13177.100000115.7C71 V72 K74 K78 F79 A80C71-G76 VanDerWaalsContact SG-C 3.57Å; V72-G76 WeakPolarHBondContact O-CA 3.36Å; V72-G76 PolarHBondContact O-N 2.93Å; K74-G76 VanDerWaalsContact C-N 3.29Å; K74-G76 PolarHBondContact O-N 3.4Å; G76-K78 VanDerWaalsContact C-N 3.33Å; G76-K78 PolarHBondContact O-N 2.84Å; G76-F79 PolarHBondContact O-N 3.42Å; G76-A80 VanDerWaalsContact O-CB 3.3Å; G76-A80 WeakPolarHBondContact O-CB 3.4Å; G76-A80 PolarHBondContact O-N 3.2Å
77F97.4Very high97.2Very high95 Ų9527.5 Ų27.542%0.41714%0.136SC..Hα-helixtrans-59-41.9-168.593.8-93.3000113.2C71 L73 K74 G75 S81 A197C71-F77 VanDerWaalsContact SG-CA 3.57Å; L73-F77 HydrophobicContact CD2-CB 3.61Å; K74-F77 WeakPolarHBondContact O-CB 3.43Å; K74-F77 WeakPolarHBondContact O-CD1 3.26Å; K74-F77 PolarHBondContact O-N 3.03Å; K74-F77 VanDerWaalsContact O-N 3.1Å; G75-F77 VanDerWaalsContact C-N 3.26Å; G75-F77 PolarHBondContact O-N 3.02Å; F77-S81 VanDerWaalsContact O-CB 3.31Å; F77-S81 WeakPolarHBondContact O-CB 3.5Å; F77-S81 PolarHBondContact O-N 3.18Å; F77-A197 HydrophobicContact CD1-CB 3.45Å; F77-A197 VanDerWaalsContact CD1-CB 3.45Å; F77-A197 HydrophobicContact CE1-CB 3.2Å; F77-A197 HydrophobicContact CG-CB 4.49Å; F77-A197 HydrophobicContact CZ-CB 4.07Å
78K98.2Very high97Very high70 Ų7032.6 Ų32.630%0.30416%0.159SC..Hα-helixtrans-74.2-41.8-174-171.156.5177.7149.90111.1G76 D82 Y196 A197G76-K78 VanDerWaalsContact C-N 3.33Å; G76-K78 PolarHBondContact O-N 2.84Å; K78-D82 WeakPolarHBondContact CE-OD2 3.4Å; K78-D82 IonicContact NZ-OD1 3.07Å; K78-D82 PolarHBondContact NZ-OD1 3.27Å; K78-D82 IonicContact NZ-OD2 3.81Å; K78-D82 WeakPolarHBondContact O-CB 3.34Å; K78-D82 PolarHBondContact O-N 3.07Å; K78-Y196 HydrophobicContact CB-CE1 4.48Å; K78-Y196 HydrophobicContact CG-CD2 4.01Å; K78-Y196 HydrophobicContact CG-CE1 4.29Å; K78-Y196 HydrophobicContact CG-CE2 3.69Å; K78-Y196 HydrophobicContact CG-CG 4.41Å; K78-A197 HydrophobicContact CB-CB 3.64Å
79F98.6Very high96.8Very high1 Ų136 Ų360%0.00418%0.177CC..Hα-helixtrans-59.8-50.3171.6172.7-144.6000111.5L48 M51 G76 S81 D82 L83 V138 E139 A166 L168 Y196L48-F79 HydrophobicContact CD1-CD2 4.35Å; L48-F79 HydrophobicContact CD2-CD2 3.58Å; L48-F79 HydrophobicContact CD2-CE2 3.37Å; M51-F79 HydrophobicContact CE-CE2 4.08Å; M51-F79 HydrophobicContact CE-CZ 3.76Å; M51-F79 HydrophobicContact SD-CE2 4.46Å; G76-F79 PolarHBondContact O-N 3.42Å; F79-S81 PolarHBondContact O-N 3.14Å; F79-D82 PolarHBondContact O-N 3.24Å; F79-L83 HydrophobicContact CD2-CB 4.12Å; F79-L83 HydrophobicContact CE2-CB 3.98Å; F79-L83 HydrophobicContact CE2-CD1 4.42Å; F79-L83 HydrophobicContact CE2-CD2 3.7Å; F79-L83 HydrophobicContact CE2-CG 4.24Å; F79-L83 HydrophobicContact CZ-CD2 3.83Å; F79-L83 WeakPolarHBondContact O-CB 3.35Å; F79-L83 PolarHBondContact O-N 2.83Å; F79-V138 HydrophobicContact CD1-CG1 3.29Å; F79-V138 HydrophobicContact CE1-CG1 3.34Å; F79-V138 HydrophobicContact CG-CG1 3.96Å; F79-V138 HydrophobicContact CZ-CG1 4.03Å; F79-E139 VanDerWaalsContact CD1-O 3.26Å; F79-E139 WeakPolarHBondContact CD1-O 3.36Å; F79-E139 VanDerWaalsContact CE1-O 3.24Å; F79-E139 WeakPolarHBondContact CE1-O 3.27Å; F79-A166 HydrophobicContact CE1-CB 4.45Å; F79-A166 HydrophobicContact CZ-CB 4.14Å; F79-L168 HydrophobicContact CB-CB 4.43Å; F79-L168 HydrophobicContact CB-CD2 4.4Å; F79-L168 HydrophobicContact CD1-CB 3.65Å; F79-L168 HydrophobicContact CD2-CB 4.13Å; F79-L168 HydrophobicContact CD2-CD1 4.35Å; F79-L168 HydrophobicContact CE1-CB 3.83Å; F79-L168 HydrophobicContact CE2-CB 4.3Å; F79-L168 HydrophobicContact CE2-CD1 4.49Å; F79-L168 HydrophobicContact CG-CB 3.82Å; F79-L168 HydrophobicContact CZ-CB 4.17Å; F79-Y196 HydrophobicContact CB-CE1 4.03Å
80A98.4Very high96.5Very high0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-58.9-46.1178.700000112.7L69 C71 G76 S84 V138L69-A80 HydrophobicContact CD2-CB 3.91Å; C71-A80 HydrophobicContact CB-CB 3.67Å; C71-A80 VanDerWaalsContact SG-CB 3.51Å; G76-A80 VanDerWaalsContact O-CB 3.3Å; G76-A80 WeakPolarHBondContact O-CB 3.4Å; G76-A80 PolarHBondContact O-N 3.2Å; A80-S84 VanDerWaalsContact O-CB 3.23Å; A80-S84 WeakPolarHBondContact O-CB 3.42Å; A80-S84 PolarHBondContact O-N 2.96Å; A80-S84 PolarHBondContact O-OG 2.82Å; A80-V138 HydrophobicContact CB-CB 4.28Å; A80-V138 HydrophobicContact CB-CG1 3.89Å
81S98.1Very high96.2Very high52 Ų5237.2 Ų37.236%0.36419%0.187SC..Hα-helixtrans-59.2-55.7176.9-177.30000111.1F77 F79 L83 S84 E85F77-S81 VanDerWaalsContact O-CB 3.31Å; F77-S81 WeakPolarHBondContact O-CB 3.5Å; F77-S81 PolarHBondContact O-N 3.18Å; F79-S81 PolarHBondContact O-N 3.14Å; S81-L83 PolarHBondContact O-N 3.07Å; S81-S84 PolarHBondContact O-N 2.86Å; S81-S84 PolarHBondContact O-OG 2.91Å; S81-E85 PolarHBondContact O-N 3.39Å; S81-E85 VanDerWaalsContact O-N 3.16Å
82D98.3Very high95.6Very high5 Ų542.1 Ų42.13%0.02722%0.216CC..Hα-helixtrans-67.4-36.9-174.8-65.7-18.4000111.7K45 L48 K78 F79 K86 Y196K45-D82 IonicContact NZ-OD1 2.81Å; K45-D82 PolarHBondContact NZ-OD1 3.29Å; K45-D82 IonicContact NZ-OD2 2.79Å; K45-D82 PolarHBondContact NZ-OD2 2.95Å; L48-D82 HydrophobicContact CD1-CB 3.6Å; K78-D82 WeakPolarHBondContact CE-OD2 3.4Å; K78-D82 IonicContact NZ-OD1 3.07Å; K78-D82 PolarHBondContact NZ-OD1 3.27Å; K78-D82 IonicContact NZ-OD2 3.81Å; K78-D82 WeakPolarHBondContact O-CB 3.34Å; K78-D82 PolarHBondContact O-N 3.07Å; F79-D82 PolarHBondContact O-N 3.24Å; D82-K86 WeakPolarHBondContact O-CG 3.45Å; D82-K86 PolarHBondContact O-N 2.87Å; D82-K86 VanDerWaalsContact O-N 3.12Å; D82-Y196 WeakPolarHBondContact CB-OH 3.35Å; D82-Y196 VanDerWaalsContact CG-OH 3.32Å; D82-Y196 WeakPolarHBondContact OD2-CE2 3.48Å; D82-Y196 PolarHBondContact OD2-OH 3.36Å
83L98.3Very high95Very high0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-66.5-43.6175.5-178.665000111.2L48 M51 I55 F79 S81 E85 K86 I87 V138 A166L48-L83 HydrophobicContact CD2-CD1 4.42Å; M51-L83 HydrophobicContact CB-CD1 4.1Å; I55-L83 HydrophobicContact CD1-CD1 3.93Å; I55-L83 HydrophobicContact CD1-CD2 3.83Å; I55-L83 HydrophobicContact CD1-CG 4.28Å; F79-L83 HydrophobicContact CD2-CB 4.12Å; F79-L83 HydrophobicContact CE2-CB 3.98Å; F79-L83 HydrophobicContact CE2-CD1 4.42Å; F79-L83 HydrophobicContact CE2-CD2 3.7Å; F79-L83 HydrophobicContact CE2-CG 4.24Å; F79-L83 HydrophobicContact CZ-CD2 3.83Å; F79-L83 WeakPolarHBondContact O-CB 3.35Å; F79-L83 PolarHBondContact O-N 2.83Å; S81-L83 PolarHBondContact O-N 3.07Å; L83-E85 VanDerWaalsContact C-N 3.29Å; L83-E85 PolarHBondContact O-N 3.03Å; L83-K86 PolarHBondContact O-N 3.45Å; L83-I87 HydrophobicContact CD1-CD1 4.25Å; L83-I87 HydrophobicContact CD1-CG1 4.29Å; L83-I87 HydrophobicContact CD2-CD1 4.35Å; L83-I87 HydrophobicContact CG-CD1 3.83Å; L83-I87 HydrophobicContact CG-CG1 4.3Å; L83-I87 VanDerWaalsContact O-CG1 3.28Å; L83-I87 WeakPolarHBondContact O-CG1 3.48Å; L83-I87 PolarHBondContact O-N 2.82Å; L83-V138 HydrophobicContact CD2-CG2 4.35Å; L83-A166 HydrophobicContact CD2-CB 4.39Å
84S97.2Very high94.6Very high25 Ų2548.6 Ų48.618%0.17525%0.251CS..Hα-helixtrans-60.7-39.6178.972.90000112.2A80 S81 I87 H88 I100 M102A80-S84 VanDerWaalsContact O-CB 3.23Å; A80-S84 WeakPolarHBondContact O-CB 3.42Å; A80-S84 PolarHBondContact O-N 2.96Å; A80-S84 PolarHBondContact O-OG 2.82Å; S81-S84 PolarHBondContact O-N 2.86Å; S81-S84 PolarHBondContact O-OG 2.91Å; S84-I87 PolarHBondContact O-N 2.94Å; S84-H88 WeakPolarHBondContact O-CB 3.45Å; S84-H88 PolarHBondContact O-N 2.76Å; S84-I100 WeakPolarHBondContact O-CD1 3.34Å; S84-M102 VanDerWaalsContact CB-CE 3.49Å; S84-M102 VanDerWaalsContact OG-CE 3.3Å; S84-M102 WeakPolarHBondContact OG-CE 2.89Å
85E96.3Very high93.9Very high109 Ų10949.8 Ų49.851%0.50927%0.273SS..Hα-helixtrans-63.7-46.3174.7-173.6-171.3169.600111S81 L83 I87 H88 N89S81-E85 PolarHBondContact O-N 3.39Å; S81-E85 VanDerWaalsContact O-N 3.16Å; L83-E85 VanDerWaalsContact C-N 3.29Å; L83-E85 PolarHBondContact O-N 3.03Å; E85-I87 PolarHBondContact O-N 3.29Å; E85-H88 PolarHBondContact O-N 3.43Å; E85-N89 WeakPolarHBondContact O-CB 3.15Å; E85-N89 PolarHBondContact O-N 2.67Å; E85-N89 PolarHBondContact O-ND2 2.73Å
86K96.6Very high93.1Very high50 Ų5052.5 Ų52.522%0.21728%0.284CS..Hα-helixtrans-62.6-41.8176.9-70.2-67.8-170.21710112.3L48 E49 S52 D82 L83 N89 S90L48-K86 HydrophobicContact CB-CG 4.28Å; E49-K86 HydrophobicContact CB-CD 4.18Å; E49-K86 IonicContact OE2-NZ 2.63Å; E49-K86 PolarHBondContact OE2-NZ 3.02Å; S52-K86 VanDerWaalsContact CB-C 3.48Å; S52-K86 PolarHBondContact OG-O 2.89Å; D82-K86 WeakPolarHBondContact O-CG 3.45Å; D82-K86 PolarHBondContact O-N 2.87Å; D82-K86 VanDerWaalsContact O-N 3.12Å; L83-K86 PolarHBondContact O-N 3.45Å; K86-N89 PolarHBondContact O-N 2.84Å; K86-S90 WeakPolarHBondContact O-CB 3.47Å; K86-S90 PolarHBondContact O-N 2.89Å; K86-S90 PolarHBondContact O-OG 2.86Å
87I96Very high92.5Very high0 Ų057.3 Ų57.30%032%0.317CS..Hα-helixtrans-62.2-46174.1-63.8168.1000110I55 L56 I67 L83 S84 E85 N89 S90 A91 I100 L136I55-I87 HydrophobicContact CB-CD1 4.45Å; I55-I87 HydrophobicContact CD1-CD1 4.07Å; I55-I87 HydrophobicContact CG2-CD1 3.87Å; I55-I87 HydrophobicContact CG2-CG1 4.47Å; L56-I87 HydrophobicContact CD1-CG2 4.04Å; L56-I87 HydrophobicContact CD2-CG2 3.73Å; L56-I87 HydrophobicContact CG-CG2 3.78Å; I67-I87 HydrophobicContact CD1-CG2 4.37Å; L83-I87 HydrophobicContact CD1-CD1 4.25Å; L83-I87 HydrophobicContact CD1-CG1 4.29Å; L83-I87 HydrophobicContact CD2-CD1 4.35Å; L83-I87 HydrophobicContact CG-CD1 3.83Å; L83-I87 HydrophobicContact CG-CG1 4.3Å; L83-I87 VanDerWaalsContact O-CG1 3.28Å; L83-I87 WeakPolarHBondContact O-CG1 3.48Å; L83-I87 PolarHBondContact O-N 2.82Å; S84-I87 PolarHBondContact O-N 2.94Å; E85-I87 PolarHBondContact O-N 3.29Å; I87-N89 PolarHBondContact O-N 3.08Å; I87-S90 PolarHBondContact O-N 2.85Å; I87-A91 VanDerWaalsContact O-CB 3.31Å; I87-A91 WeakPolarHBondContact O-CB 3.33Å; I87-A91 PolarHBondContact O-N 3.19Å; I87-I100 HydrophobicContact CB-CD1 3.52Å; I87-I100 HydrophobicContact CG2-CD1 3.25Å; I87-I100 HydrophobicContact CG2-CG1 3.92Å; I87-L136 HydrophobicContact CD1-CD2 4.38Å
88H93.5Very high92.1Very high108 Ų10853 Ų5350%0.530%0.298SS..Hα-helixtrans-58.1-49.1177.3-17575.4000111.4S84 E85 S90 A91 V92 I100S84-H88 WeakPolarHBondContact O-CB 3.45Å; S84-H88 PolarHBondContact O-N 2.76Å; E85-H88 PolarHBondContact O-N 3.43Å; H88-S90 VanDerWaalsContact C-N 3.32Å; H88-S90 PolarHBondContact O-N 2.85Å; H88-A91 PolarHBondContact O-N 3.49Å; H88-A91 VanDerWaalsContact O-N 3.12Å; H88-V92 PolarHBondContact O-N 3.07Å; H88-I100 HydrophobicContact CB-CD1 4.19Å
89N93.2Very high91.8Very high81 Ų8152.4 Ų52.443%0.43330%0.302SS..Hα-helixtrans-64.4-32.8179.2-67.7-17000113.2E85 K86 I87 V92E85-N89 WeakPolarHBondContact O-CB 3.15Å; E85-N89 PolarHBondContact O-N 2.67Å; E85-N89 PolarHBondContact O-ND2 2.73Å; K86-N89 PolarHBondContact O-N 2.84Å; I87-N89 PolarHBondContact O-N 3.08Å; N89-V92 VanDerWaalsContact O-CG2 3.32Å; N89-V92 WeakPolarHBondContact O-CG2 3.3Å
90S92.2Very high91.6Very high21 Ų2154.3 Ų54.315%0.14731%0.311CS..Hα-helixtrans-76.8-29173.8-61.50000112.5S52 K86 I87 H88 T93S52-S90 PolarHBondContact OG-OG 3.39Å; K86-S90 WeakPolarHBondContact O-CB 3.47Å; K86-S90 PolarHBondContact O-N 2.89Å; K86-S90 PolarHBondContact O-OG 2.86Å; I87-S90 PolarHBondContact O-N 2.85Å; H88-S90 VanDerWaalsContact C-N 3.32Å; H88-S90 PolarHBondContact O-N 2.85Å; S90-T93 PolarHBondContact O-OG1 3.36Å
91A90.4Very high91.4Very high6 Ų659.8 Ų59.85%0.0534%0.335CS..Hα-helixtrans-74.1-32-177.700000113L56 I87 H88 T93 R94L56-A91 HydrophobicContact CD1-CB 4.05Å; L56-A91 HydrophobicContact CD2-CB 4.15Å; I87-A91 VanDerWaalsContact O-CB 3.31Å; I87-A91 WeakPolarHBondContact O-CB 3.33Å; I87-A91 PolarHBondContact O-N 3.19Å; H88-A91 PolarHBondContact O-N 3.49Å; H88-A91 VanDerWaalsContact O-N 3.12Å; A91-T93 PolarHBondContact O-N 3.37Å; A91-T93 VanDerWaalsContact O-N 3.16Å; A91-R94 PolarHBondContact O-N 2.89Å
92V85.9Confident91.3Very high102 Ų10260.9 Ų60.962%0.61834%0.335SS*.THydrogen-bonded Turntrans-64.5-20.1-177.7-600000114.1H88 N89H88-V92 PolarHBondContact O-N 3.07Å; N89-V92 VanDerWaalsContact O-CG2 3.32Å; N89-V92 WeakPolarHBondContact O-CG2 3.3Å
93T84.7Confident91.1Very high123 Ų12361.7 Ų61.776%0.75534%0.34SS*.THydrogen-bonded Turntrans-95.1-4.1177.160.50000113.1S90 A91S90-T93 PolarHBondContact O-OG1 3.36Å; A91-T93 PolarHBondContact O-N 3.37Å; A91-T93 VanDerWaalsContact O-N 3.16Å
94R85.8Confident91.1Very high55 Ų5565.3 Ų65.321%0.20836%0.356CS..SBendtrans-89.7153179.6-67.6-150.2159.5107.3-16.7111.8I53 E57 E60 A91 K96I53-R94 PolarHBondContact O-NH2 2.8Å; E57-R94 VanDerWaalsContact CG-NH2 3.29Å; E57-R94 IonicContact OE1-NH2 2.57Å; E57-R94 PolarHBondContact OE1-NH2 3.47Å; E60-R94 WeakPolarHBondContact OE1-CD 3.3Å; E60-R94 IonicContact OE1-NE 2.58Å; E60-R94 IonicContact OE2-NE 2.88Å; A91-R94 PolarHBondContact O-N 2.89Å; R94-K96 PolarHBondContact O-N 3.12Å
95S80.6Confident91Very high135 Ų13564.1 Ų64.194%0.94435%0.348SS*.SBendtrans-66-26.9177.855.50000112.8
96K79.4Confident90.8Very high65 Ų6560.8 Ų60.828%0.28334%0.335SS..SBendtrans-106.4111176.3-167.2-178.4-170.6-173.10109.5N63 A64 R94 I98N63-K96 PolarHBondContact O-NZ 2.71Å; A64-K96 WeakPolarHBondContact O-CE 3.22Å; A64-K96 PolarHBondContact O-NZ 3.41Å; R94-K96 PolarHBondContact O-N 3.12Å; K96-I98 HydrophobicContact CD-CD1 4.33Å; K96-I98 HydrophobicContact CD-CG1 4.25Å; K96-I98 HydrophobicContact CG-CG1 4.18Å; K96-I98 PolarHBondContact O-N 2.99Å
97S82.6Confident90.4Very high100 Ų10059.2 Ų59.270%0.69933%0.33SS*.  trans-73.8112.9170.9-175.20000109.4
98I89.4Confident89.4Confident5 Ų562 Ų623%0.02635%0.349CS..  trans-106104.6174.6-59.8-179.5000107.9L56 F59 E60 I67 K96L56-I98 HydrophobicContact CD2-CB 4.38Å; L56-I98 HydrophobicContact CD2-CD1 4.45Å; F59-I98 HydrophobicContact CB-CD1 4.47Å; E60-I98 HydrophobicContact CG-CD1 3.65Å; I67-I98 HydrophobicContact CD1-CG2 3.93Å; I67-I98 HydrophobicContact CG1-CG2 3.75Å; K96-I98 HydrophobicContact CD-CD1 4.33Å; K96-I98 HydrophobicContact CD-CG1 4.25Å; K96-I98 HydrophobicContact CG-CG1 4.18Å; K96-I98 PolarHBondContact O-N 2.99Å
99P92.3Very high88.1Confident58 Ų5857.5 Ų57.538%0.37733%0.329SS..  trans-65.2148.6174.227.6-35.5000111.4T65 A66 I67 F101T65-P99 VanDerWaalsContact O-CD 3.26Å; T65-P99 WeakPolarHBondContact O-CD 3.26Å; A66-P99 CarbonylContact C-O 3.56Å; A66-P99 WeakPolarHBondContact CA-O 3.27Å; A66-P99 HydrophobicContact CB-CG 4.02Å; I67-P99 PolarHBondContact N-O 3.02Å; P99-F101 HydrophobicContact CB-CE2 4.19Å; P99-F101 HydrophobicContact CB-CZ 4.44Å; P99-F101 HydrophobicContact CG-CE2 4.21Å
100I93.7Very high86.6Confident40 Ų4058.9 Ų58.921%0.20533%0.329CS..EExtended strand (participates in β ladder)trans-113.7127.8177.1-49.3164.7000108I67 L69 S84 I87 H88I67-I100 CarbonylContact O-C 3.59Å; I67-I100 WeakPolarHBondContact O-CA 3.43Å; L69-I100 HydrophobicContact CB-CG2 4.2Å; S84-I100 WeakPolarHBondContact O-CD1 3.34Å; I87-I100 HydrophobicContact CB-CD1 3.52Å; I87-I100 HydrophobicContact CG2-CD1 3.25Å; I87-I100 HydrophobicContact CG2-CG1 3.92Å; H88-I100 HydrophobicContact CB-CD1 4.19Å
101F94.7Very high85.3Confident115 Ų11560.9 Ų60.950%0.50434%0.336SS..EExtended strand (participates in β ladder)trans-108.1142.6169.4-60.2-83.2000108.5A66 I67 N68 L69 P99A66-F101 HydrophobicContact CB-CD2 4.09Å; A66-F101 HydrophobicContact CB-CE2 3.82Å; I67-F101 PolarHBondContact O-N 3.47Å; N68-F101 CarbonylContact C-O 3.53Å; L69-F101 PolarHBondContact N-O 3.13Å; P99-F101 HydrophobicContact CB-CE2 4.19Å; P99-F101 HydrophobicContact CB-CZ 4.44Å; P99-F101 HydrophobicContact CG-CE2 4.21Å
102M95.4Very high84.5Confident75 Ų7562 Ų6237%0.36934%0.342SS..EExtended strand (participates in β ladder)trans-115.2134.2179.8-173.5172-71.200110.2L69 S84 F104L69-M102 HydrophobicContact CD1-CE 4.42Å; L69-M102 HydrophobicContact CD2-CE 4.26Å; L69-M102 HydrophobicContact CD2-CG 4.39Å; L69-M102 CarbonylContact O-C 3.58Å; L69-M102 WeakPolarHBondContact O-CA 3.35Å; S84-M102 VanDerWaalsContact CB-CE 3.49Å; S84-M102 VanDerWaalsContact OG-CE 3.3Å; S84-M102 WeakPolarHBondContact OG-CE 2.89Å; M102-F104 HydrophobicContact CG-CE1 4.22Å; M102-F104 HydrophobicContact CG-CE2 4.09Å; M102-F104 HydrophobicContact CG-CZ 3.75Å; M102-F104 HydrophobicContact SD-CE1 3.92Å; M102-F104 HydrophobicContact SD-CE2 4.37Å; M102-F104 HydrophobicContact SD-CZ 3.52Å; M102-F104 VanDerWaalsContact SD-CZ 3.52Å
103D95.8Very high83.7Confident22 Ų2261.6 Ų61.612%0.11834%0.336CS..EExtended strand (participates in β ladder)trans-134.6165.6173.3-152.2-19.7000109.7L69 L70 C71 T125 F130L69-D103 PolarHBondContact O-N 3.29Å; L70-D103 HydrophobicContact CD1-CB 4.11Å; C71-D103 PolarHBondContact N-O 3.32Å; D103-T125 WeakPolarHBondContact OD1-CG2 3.32Å; D103-T125 PolarHBondContact OD1-OG1 3.28Å; D103-T125 VanDerWaalsContact OD2-CB 3.26Å; D103-T125 WeakPolarHBondContact OD2-CB 3.37Å; D103-T125 WeakPolarHBondContact OD2-CG2 3.32Å; D103-T125 PolarHBondContact OD2-OG1 3.38Å; D103-F130 HydrophobicContact CB-CE1 4.48Å; D103-F130 HydrophobicContact CB-CZ 4.1Å
104F96.5Very high82.7Confident77 Ų7760.8 Ų60.834%0.33833%0.326SS..EExtended strand (participates in β ladder)trans-133.4140.4-171.8-57.4-86.7000111.7C71 L73 M102C71-F104 HydrophobicContact CB-CD1 3.67Å; C71-F104 HydrophobicContact CB-CE1 3.98Å; C71-F104 WeakPolarHBondContact O-CA 3.33Å; L73-F104 HydrophobicContact CD1-CB 3.74Å; L73-F104 HydrophobicContact CD1-CD1 3.84Å; L73-F104 HydrophobicContact CD1-CG 4.08Å; L73-F104 HydrophobicContact CD2-CD1 3.91Å; L73-F104 HydrophobicContact CD2-CE1 4.46Å; L73-F104 HydrophobicContact CG-CB 4.21Å; L73-F104 HydrophobicContact CG-CD1 3.91Å; L73-F104 HydrophobicContact CG-CG 4.5Å; M102-F104 HydrophobicContact CG-CE1 4.22Å; M102-F104 HydrophobicContact CG-CE2 4.09Å; M102-F104 HydrophobicContact CG-CZ 3.75Å; M102-F104 HydrophobicContact SD-CE1 3.92Å; M102-F104 HydrophobicContact SD-CE2 4.37Å; M102-F104 HydrophobicContact SD-CZ 3.52Å; M102-F104 VanDerWaalsContact SD-CZ 3.52Å
105I95.3Very high81.5Confident0 Ų061.1 Ų61.10%033%0.334CS..EExtended strand (participates in β ladder)trans-132.5134.5170-166.8166.4000109.1L70 C71 V72 L73 F121 T123 L151 Y154L70-I105 HydrophobicContact CD1-CB 4.02Å; L70-I105 HydrophobicContact CD1-CG2 3.99Å; L70-I105 HydrophobicContact CD2-CG2 3.97Å; L70-I105 HydrophobicContact CG-CB 4.45Å; L70-I105 HydrophobicContact CG-CG2 3.89Å; C71-I105 PolarHBondContact O-N 3.48Å; V72-I105 WeakPolarHBondContact CA-O 3.29Å; V72-I105 HydrophobicContact CG2-CG2 4.11Å; L73-I105 PolarHBondContact N-O 3.18Å; I105-F121 HydrophobicContact CD1-CB 3.75Å; I105-F121 HydrophobicContact CD1-CD1 4.14Å; I105-F121 HydrophobicContact CD1-CG 4.06Å; I105-F121 HydrophobicContact CG1-CB 4.16Å; I105-T123 HydrophobicContact CD1-CG2 3.69Å; I105-T123 HydrophobicContact CG1-CG2 3.78Å; I105-L151 HydrophobicContact CD1-CD1 3.66Å; I105-L151 HydrophobicContact CG2-CD1 4.46Å; I105-L151 HydrophobicContact CG2-CD2 4.45Å; I105-Y154 HydrophobicContact CD1-CE1 4.19Å
106V93Very high80.4Confident39 Ų3957.7 Ų57.724%0.23632%0.32CS..EExtended strand (participates in β ladder)trans-92.3126.2173.2-178.10000108L73 F121 H122 Y124L73-V106 HydrophobicContact CB-CG2 4.04Å; L73-V106 HydrophobicContact CD1-CG2 4.28Å; V106-F121 WeakPolarHBondContact O-CA 3.28Å; V106-H122 HydrophobicContact CB-CB 4.25Å; V106-H122 PolarHBondContact N-O 3.49Å; V106-H122 PolarHBondContact O-N 3.25Å; V106-Y124 HydrophobicContact CG2-CE2 4.43Å
107S88.7Confident79.6Confident17 Ų1759.5 Ų59.512%0.11933%0.329CS..EExtended strand (participates in β ladder)trans-112.5122.1169.3-170.60000110.2L73 Q120 F121 T147L73-S107 PolarHBondContact O-N 3.45Å; S107-Q120 WeakPolarHBondContact CA-O 3.34Å; S107-F121 WeakPolarHBondContact OG-CE1 3.44Å; S107-T147 WeakPolarHBondContact OG-CG2 3.41Å
108S75.1Confident79Confident57 Ų5761.3 Ų61.340%0.39933%0.327SS..EExtended strand (participates in β ladder)trans-99.4108.2174.347.10000109.9Q120S108-Q120 PolarHBondContact N-O 2.89Å
109T65.7Low78.3Confident15 Ų1561.7 Ų61.79%0.09233%0.329CS..EExtended strand (participates in β ladder)trans-133.6-15.5-177.344.60000115.4P119 T147T109-P119 HydrophobicContact CG2-CB 3.43Å; T109-P119 VanDerWaalsContact CG2-CB 3.43Å; T109-P119 HydrophobicContact CG2-CG 4.02Å; T109-T147 WeakPolarHBondContact CG2-OG1 3.38Å
110Y62.2Low77.8Confident110 Ų11064.7 Ų64.743%0.43134%0.338SS..EExtended strand (participates in β ladder)trans-121.5134.1-173.3-61.7-84.7000112.1V115Y110-V115 HydrophobicContact CE1-CG2 3.95Å
111E63.9Low77.5Confident62 Ų6264.9 Ų64.929%0.2934%0.338SS..EExtended strand (participates in β ladder)trans-134.6118.1161.2-175.2-179.1147.100106.8K228E111-K228 WeakPolarHBondContact OE1-CE 3.31Å; E111-K228 IonicContact OE1-NZ 2.7Å; E111-K228 PolarHBondContact OE1-NZ 2.91Å; E111-K228 IonicContact OE2-NZ 3.08Å; E111-K228 PolarHBondContact OE2-NZ 3.42Å
112N73.3Confident77.3Confident31 Ų3163.7 Ų63.717%0.16633%0.334CS..THydrogen-bonded Turntrans57-144.9-167.4-54.2-58.6000112.5N201 I223N112-N201 WeakPolarHBondContact CA-OD1 3.48Å; N112-N201 PolarHBondContact N-OD1 3.26Å; N112-N201 VanDerWaalsContact N-OD1 3.16Å; N112-N201 PolarHBondContact OD1-ND2 3Å; N112-I223 PolarHBondContact OD1-N 3.26Å
113D69Low76.8Confident92 Ų9262.5 Ų62.549%0.49233%0.331SS..THydrogen-bonded Turntrans-93.212.5-179.465.2-24.9000113.8F192D113-F192 HydrophobicContact CB-CD2 4.2Å; D113-F192 HydrophobicContact CB-CE2 3.92Å
114I64.8Low76.3Confident107 Ų10771 Ų7155%0.54936%0.363SS..EExtended strand (participates in β ladder)trans-96.7119.4-177.8-56.9176.3000110.2
115V60Low75.9Confident61 Ų6169.9 Ų69.937%0.3736%0.362SS..EExtended strand (participates in β ladder)trans-86.7124.7168.3-1750000108.5Y110 S144Y110-V115 HydrophobicContact CE1-CG2 3.95Å; V115-S144 WeakPolarHBondContact CG1-OG 3.26Å
116G57.3Low75.6Confident64 Ų6475 Ų7566%0.6639%0.389SS*.EExtended strand (participates in β ladder)trans168.5-3.5175.400000118.6
117H62Low75.5Confident102 Ų10273.2 Ų73.247%0.47238%0.378SS..EExtended strand (participates in β ladder)trans-83.9142.7175.1-62.5-63.6000111.2P119H117-P119 WeakPolarHBondContact O-CD 3.23Å
118E70.7Confident75.6Confident138 Ų13876.2 Ų76.265%0.64540%0.396SS*.EExtended strand (participates in β ladder)trans-61.1116.3170.8-67.5-81.8121.500109Q120 R150E118-Q120 PolarHBondContact O-N 3.12Å; E118-R150 VanDerWaalsContact CA-NH1 3.27Å; E118-R150 VanDerWaalsContact CD-CZ 3.46Å; E118-R150 IonicContact OE1-CZ 2.83Å; E118-R150 IonicContact OE1-NH1 2.8Å; E118-R150 PolarHBondContact OE1-NH1 3.38Å; E118-R150 IonicContact OE1-NH2 3.04Å; E118-R150 PolarHBondContact OE1-NH2 3.45Å; E118-R150 IonicContact OE2-CZ 3.45Å; E118-R150 IonicContact OE2-NH1 2.73Å; E118-R150 PolarHBondContact OE2-NH1 2.83Å; E118-R150 IonicContact OE2-NH2 2.67Å; E118-R150 PolarHBondContact OE2-NH2 3.44Å
119P74.3Confident76.5Confident13 Ų1375.9 Ų75.98%0.08439%0.394CS..EExtended strand (participates in β ladder)trans-51.9124174.69.4-27.4000112T109 H117 F121 T146 R150T109-P119 HydrophobicContact CG2-CB 3.43Å; T109-P119 VanDerWaalsContact CG2-CB 3.43Å; T109-P119 HydrophobicContact CG2-CG 4.02Å; H117-P119 WeakPolarHBondContact O-CD 3.23Å; P119-F121 HydrophobicContact CB-CE1 4.04Å; P119-F121 HydrophobicContact CB-CZ 3.96Å; P119-F121 HydrophobicContact CG-CZ 4.47Å; P119-T146 HydrophobicContact CG-CG2 4.27Å; P119-R150 HydrophobicContact CG-CB 4.36Å; P119-R150 HydrophobicContact CG-CG 4.33Å
120Q81.7Confident77.9Confident121 Ų12175.3 Ų75.357%0.56539%0.39SS*.EExtended strand (participates in β ladder)trans-97.1138.6162.9-61.2-174.91.300108.9S107 S108 E118S107-Q120 WeakPolarHBondContact CA-O 3.34Å; S108-Q120 PolarHBondContact N-O 2.89Å; E118-Q120 PolarHBondContact O-N 3.12Å
121F88.4Confident79.6Confident44 Ų4475 Ų7519%0.19339%0.391CS..EExtended strand (participates in β ladder)trans-110.9120.6179.6-61.1-52.7000110I105 V106 S107 P119 T147 R150 L151 Y154I105-F121 HydrophobicContact CD1-CB 3.75Å; I105-F121 HydrophobicContact CD1-CD1 4.14Å; I105-F121 HydrophobicContact CD1-CG 4.06Å; I105-F121 HydrophobicContact CG1-CB 4.16Å; V106-F121 WeakPolarHBondContact O-CA 3.28Å; S107-F121 WeakPolarHBondContact OG-CE1 3.44Å; P119-F121 HydrophobicContact CB-CE1 4.04Å; P119-F121 HydrophobicContact CB-CZ 3.96Å; P119-F121 HydrophobicContact CG-CZ 4.47Å; F121-T147 HydrophobicContact CE1-CG2 4.36Å; F121-R150 HydrophobicContact CE2-CB 4.12Å; F121-R150 HydrophobicContact CZ-CB 4.11Å; F121-L151 HydrophobicContact CD1-CD1 4.06Å; F121-L151 HydrophobicContact CD2-CD1 4.5Å; F121-L151 HydrophobicContact CE1-CB 3.9Å; F121-L151 HydrophobicContact CE1-CD1 3.9Å; F121-L151 HydrophobicContact CE1-CG 4.35Å; F121-L151 HydrophobicContact CE2-CB 4.3Å; F121-L151 HydrophobicContact CE2-CD1 4.35Å; F121-L151 HydrophobicContact CG-CD1 4.38Å; F121-L151 HydrophobicContact CZ-CB 3.58Å; F121-L151 HydrophobicContact CZ-CD1 4.06Å; F121-L151 HydrophobicContact CZ-CG 4.39Å; F121-Y154 HydrophobicContact CB-CE1 4.22Å; F121-Y154 AromaticContact CD2-CD1 3.82Å; F121-Y154 HydrophobicContact CD2-CD1 3.82Å; F121-Y154 HydrophobicContact CD2-CE1 4.26Å; F121-Y154 HydrophobicContact CD2-CG 4.18Å; F121-Y154 HydrophobicContact CE2-CD1 4.42Å; F121-Y154 HydrophobicContact CG-CD1 4.39Å
122H89.5Confident81.2Confident91 Ų9177.7 Ų77.742%0.42141%0.408SS..EExtended strand (participates in β ladder)trans-110.2124.1173.7-54.6-83.9000109.5V106V106-H122 HydrophobicContact CB-CB 4.25Å; V106-H122 PolarHBondContact N-O 3.49Å; V106-H122 PolarHBondContact O-N 3.25Å
123T86.5Confident82.3Confident50 Ų5079.9 Ų79.931%0.30742%0.415SS..EExtended strand (participates in β ladder)trans-116.3143.7-179.468.60000109.2I105 T125 L127I105-T123 HydrophobicContact CD1-CG2 3.69Å; I105-T123 HydrophobicContact CG1-CG2 3.78Å; T123-T125 PolarHBondContact OG1-O 3.44Å; T123-L127 HydrophobicContact CG2-CD1 3.55Å; T123-L127 HydrophobicContact CG2-CD2 4.05Å; T123-L127 HydrophobicContact CG2-CG 3.76Å
124Y85.5Confident83.7Confident201 Ų20175.7 Ų75.779%0.78839%0.393SS*.SBendtrans-100.8-17172.5-68.4-79.8000112.4V106V106-Y124 HydrophobicContact CG2-CE2 4.43Å
125T86.2Confident85.3Confident53 Ų5370.6 Ų70.633%0.32537%0.367SS..SBendtrans-102.4159.3173.8570000110.9D103 T123 L127D103-T125 WeakPolarHBondContact OD1-CG2 3.32Å; D103-T125 PolarHBondContact OD1-OG1 3.28Å; D103-T125 VanDerWaalsContact OD2-CB 3.26Å; D103-T125 WeakPolarHBondContact OD2-CB 3.37Å; D103-T125 WeakPolarHBondContact OD2-CG2 3.32Å; D103-T125 PolarHBondContact OD2-OG1 3.38Å; T123-T125 PolarHBondContact OG1-O 3.44Å; T125-L127 PolarHBondContact O-N 3.26Å
126N89.4Confident87.1Confident106 Ų10667.7 Ų67.757%0.56735%0.35SS*.  trans-78.1109.1169-1771.2000109.4T128 S129N126-T128 PolarHBondContact ND2-OG1 3.25Å; N126-T128 PolarHBondContact O-N 2.79Å; N126-T128 WeakPolarHBondContact OD1-CB 3.36Å; N126-T128 WeakPolarHBondContact OD1-CG2 3.42Å; N126-T128 PolarHBondContact OD1-N 2.64Å; N126-T128 PolarHBondContact OD1-OG1 2.9Å; N126-S129 VanDerWaalsContact O-CB 3.26Å; N126-S129 WeakPolarHBondContact O-CB 3.46Å; N126-S129 PolarHBondContact O-N 3.08Å; N126-S129 PolarHBondContact O-OG 3.35Å
127L90.6Very high89.1Confident2 Ų264.7 Ų64.71%0.0132%0.318CS..G310 helixtrans-66.2-13.4-179.6-64.5-170.7000113.9T123 T125 S129 F130 Y154 I155 F158T123-L127 HydrophobicContact CG2-CD1 3.55Å; T123-L127 HydrophobicContact CG2-CD2 4.05Å; T123-L127 HydrophobicContact CG2-CG 3.76Å; T125-L127 PolarHBondContact O-N 3.26Å; L127-S129 PolarHBondContact O-N 3.34Å; L127-F130 HydrophobicContact CD2-CD2 4.08Å; L127-F130 HydrophobicContact CD2-CE2 3.63Å; L127-F130 HydrophobicContact CD2-CZ 4.25Å; L127-F130 WeakPolarHBondContact O-CB 3.29Å; L127-F130 PolarHBondContact O-N 3.37Å; L127-Y154 HydrophobicContact CD1-CD1 4.29Å; L127-Y154 HydrophobicContact CD1-CE1 3.42Å; L127-Y154 VanDerWaalsContact CD1-CE1 3.42Å; L127-I155 HydrophobicContact CD1-CD1 3.8Å; L127-F158 HydrophobicContact CB-CD1 3.89Å; L127-F158 HydrophobicContact CB-CD2 3.86Å; L127-F158 HydrophobicContact CB-CE1 3.71Å; L127-F158 HydrophobicContact CB-CE2 3.68Å; L127-F158 HydrophobicContact CB-CG 3.96Å; L127-F158 HydrophobicContact CB-CZ 3.6Å; L127-F158 HydrophobicContact CD1-CD2 4.24Å; L127-F158 HydrophobicContact CD1-CE2 3.6Å; L127-F158 HydrophobicContact CD1-CZ 3.96Å; L127-F158 HydrophobicContact CG-CE2 4.33Å; L127-F158 HydrophobicContact CG-CZ 4.38Å
128T91.5Very high90.8Very high81 Ų8159.8 Ų59.850%0.49730%0.296SS..G310 helixtrans-61.3-17169.469.40000112.1N126 F130 K131 F158N126-T128 PolarHBondContact ND2-OG1 3.25Å; N126-T128 PolarHBondContact O-N 2.79Å; N126-T128 WeakPolarHBondContact OD1-CB 3.36Å; N126-T128 WeakPolarHBondContact OD1-CG2 3.42Å; N126-T128 PolarHBondContact OD1-N 2.64Å; N126-T128 PolarHBondContact OD1-OG1 2.9Å; T128-F130 PolarHBondContact O-N 3.49Å; T128-K131 WeakPolarHBondContact O-CB 3.35Å; T128-K131 PolarHBondContact O-N 3.45Å; T128-F158 HydrophobicContact CG2-CD1 4.03Å; T128-F158 HydrophobicContact CG2-CE1 4.23Å
129S93.4Very high92Very high50 Ų5053.9 Ų53.935%0.3527%0.268SS..G310 helixtrans-68-8.917271.90000114N126 L127 K133N126-S129 VanDerWaalsContact O-CB 3.26Å; N126-S129 WeakPolarHBondContact O-CB 3.46Å; N126-S129 PolarHBondContact O-N 3.08Å; N126-S129 PolarHBondContact O-OG 3.35Å; L127-S129 PolarHBondContact O-N 3.34Å; S129-K133 WeakPolarHBondContact O-CD 3.4Å; S129-K133 WeakPolarHBondContact O-CE 3.45Å; S129-K133 PolarHBondContact O-NZ 3.42Å
130F95.8Very high93.1Very high3 Ų354.2 Ų54.21%0.01327%0.269CS..G310 helixtrans-85.2-8173-69.9-21.6000114.5N68 L70 D103 L127 T128 D132 K133 V135 I155 P160N68-F130 HydrophobicContact CB-CD1 4.38Å; N68-F130 HydrophobicContact CB-CE1 4.11Å; L70-F130 HydrophobicContact CB-CZ 4.37Å; L70-F130 HydrophobicContact CD1-CE2 4.23Å; L70-F130 HydrophobicContact CD1-CZ 4.1Å; L70-F130 HydrophobicContact CD2-CE2 4.1Å; D103-F130 HydrophobicContact CB-CE1 4.48Å; D103-F130 HydrophobicContact CB-CZ 4.1Å; L127-F130 HydrophobicContact CD2-CD2 4.08Å; L127-F130 HydrophobicContact CD2-CE2 3.63Å; L127-F130 HydrophobicContact CD2-CZ 4.25Å; L127-F130 WeakPolarHBondContact O-CB 3.29Å; L127-F130 PolarHBondContact O-N 3.37Å; T128-F130 PolarHBondContact O-N 3.49Å; F130-D132 PolarHBondContact O-N 2.86Å; F130-K133 WeakPolarHBondContact O-CB 3.35Å; F130-K133 PolarHBondContact O-N 3.15Å; F130-V135 HydrophobicContact CB-CG2 4.04Å; F130-V135 HydrophobicContact CD1-CG2 4.11Å; F130-V135 HydrophobicContact CD2-CG2 4.12Å; F130-V135 HydrophobicContact CE2-CG1 4.45Å; F130-V135 HydrophobicContact CG-CG2 3.85Å; F130-I155 HydrophobicContact CD2-CD1 4.47Å; F130-I155 HydrophobicContact CD2-CG2 4.22Å; F130-I155 HydrophobicContact CE2-CD1 4.34Å; F130-P160 VanDerWaalsContact O-CA 3.26Å; F130-P160 WeakPolarHBondContact O-CA 3.17Å; F130-P160 WeakPolarHBondContact O-CB 3.49Å
131K97.3Very high93.8Very high102 Ų10249.4 Ų49.444%0.44325%0.247SC..THydrogen-bonded Turntrans-52.6132.2175.1179.3166.3178.7139.60111.4T128 K133 F158 E159T128-K131 WeakPolarHBondContact O-CB 3.35Å; T128-K131 PolarHBondContact O-N 3.45Å; K131-K133 PolarHBondContact O-N 3.05Å; K131-K133 VanDerWaalsContact O-N 3.1Å; K131-F158 VanDerWaalsContact CA-O 3.25Å; K131-F158 WeakPolarHBondContact CA-O 3.4Å; K131-F158 WeakPolarHBondContact CB-O 3.43Å; K131-F158 PolarHBondContact N-O 2.95Å; K131-E159 WeakPolarHBondContact CA-O 3.19Å; K131-E159 WeakPolarHBondContact CE-OE2 3.5Å; K131-E159 HydrophobicContact CG-CB 4.4Å; K131-E159 IonicContact NZ-OE2 3.58Å; K131-E159 PolarHBondContact NZ-OE2 2.57Å
132D97.7Very high94Very high120 Ų12047.5 Ų47.564%0.64224%0.239SC*.THydrogen-bonded Turntrans59.215.1-178.6-58.4-49.4000115.2F130 E159F130-D132 PolarHBondContact O-N 2.86Å; D132-E159 PolarHBondContact N-O 3.21Å
133K97.5Very high94.1Very high76 Ų7643.8 Ų43.833%0.3322%0.222SC..  trans-104157.5178.5-62.8-165.2-176.4162.60113.4N68 S129 F130 K131 P160 R161 S162N68-K133 VanDerWaalsContact OD1-CD 3.3Å; N68-K133 WeakPolarHBondContact OD1-CD 3.17Å; S129-K133 WeakPolarHBondContact O-CD 3.4Å; S129-K133 WeakPolarHBondContact O-CE 3.45Å; S129-K133 PolarHBondContact O-NZ 3.42Å; F130-K133 WeakPolarHBondContact O-CB 3.35Å; F130-K133 PolarHBondContact O-N 3.15Å; K131-K133 PolarHBondContact O-N 3.05Å; K131-K133 VanDerWaalsContact O-N 3.1Å; K133-P160 CarbonylContact O-C 3.58Å; K133-P160 WeakPolarHBondContact O-CA 3.2Å; K133-P160 VanDerWaalsContact O-CB 3.31Å; K133-P160 WeakPolarHBondContact O-CB 3.48Å; K133-R161 PolarHBondContact O-N 2.73Å; K133-S162 PolarHBondContact O-N 3.37Å
134D98.1Very high94.1Very high5 Ų542.9 Ų42.93%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-87.4120.7168.7-61-65.6000110.5F59 A64 N68 R161 S162F59-D134 HydrophobicContact CD1-CB 4.04Å; F59-D134 HydrophobicContact CE1-CB 3.72Å; A64-D134 WeakPolarHBondContact CA-OD2 3.45Å; A64-D134 HydrophobicContact CB-CB 4.35Å; A64-D134 VanDerWaalsContact CB-OD2 3.23Å; A64-D134 WeakPolarHBondContact CB-OD2 3.47Å; N68-D134 WeakPolarHBondContact CB-O 2.88Å; N68-D134 PolarHBondContact N-O 3.17Å; N68-D134 PolarHBondContact ND2-O 2.99Å; D134-R161 VanDerWaalsContact CG-NE 3.31Å; D134-R161 IonicContact OD1-CZ 3.1Å; D134-R161 IonicContact OD1-NE 3.04Å; D134-R161 PolarHBondContact OD1-NE 3.35Å; D134-R161 IonicContact OD1-NH2 2.6Å; D134-R161 PolarHBondContact OD1-NH2 2.78Å; D134-R161 IonicContact OD2-CZ 3.09Å; D134-R161 IonicContact OD2-NE 2.7Å; D134-R161 PolarHBondContact OD2-NE 2.91Å; D134-R161 IonicContact OD2-NH2 3.2Å; D134-R161 PolarHBondContact OD2-NH2 3.31Å; D134-S162 PolarHBondContact OD1-OG 2.98Å
135V98.3Very high94.3Very high0 Ų033.6 Ų33.60%018%0.183CC..EExtended strand (participates in β ladder)trans-111.6131.2-176.8-177.10000110N68 L70 F130 I137 I155 P160 S162 V163 L164N68-V135 HydrophobicContact CB-CG2 4.49Å; N68-V135 CarbonylContact O-C 3.59Å; N68-V135 VanDerWaalsContact O-CA 3.3Å; N68-V135 WeakPolarHBondContact O-CA 3.26Å; L70-V135 HydrophobicContact CB-CG1 4.22Å; F130-V135 HydrophobicContact CB-CG2 4.04Å; F130-V135 HydrophobicContact CD1-CG2 4.11Å; F130-V135 HydrophobicContact CD2-CG2 4.12Å; F130-V135 HydrophobicContact CE2-CG1 4.45Å; F130-V135 HydrophobicContact CG-CG2 3.85Å; V135-I137 HydrophobicContact CG1-CG1 4.25Å; V135-I155 HydrophobicContact CG1-CG2 4.17Å; V135-P160 HydrophobicContact CG2-CB 3.92Å; V135-S162 PolarHBondContact N-O 2.78Å; V135-V163 WeakPolarHBondContact O-CA 3.14Å; V135-L164 PolarHBondContact O-N 3.46Å
136L98.4Very high94.4Very high0 Ų033.4 Ų33.40%018%0.182CC..EExtended strand (participates in β ladder)trans-111.6106.1168.8-18066.1000108.6I55 F59 I67 N68 L69 L70 I87 V138 L164 A166 F183I55-L136 HydrophobicContact CD1-CD2 4.11Å; I55-L136 HydrophobicContact CG2-CD2 3.96Å; F59-L136 HydrophobicContact CE2-CB 4.09Å; F59-L136 HydrophobicContact CE2-CD1 4.3Å; F59-L136 HydrophobicContact CE2-CD2 4.4Å; F59-L136 HydrophobicContact CE2-CG 4.5Å; F59-L136 HydrophobicContact CZ-CB 3.99Å; F59-L136 HydrophobicContact CZ-CD1 4.5Å; I67-L136 HydrophobicContact CG2-CB 3.86Å; I67-L136 HydrophobicContact CG2-CD2 4.41Å; N68-L136 PolarHBondContact O-N 2.93Å; L69-L136 CarbonylContact C-O 3.5Å; L69-L136 WeakPolarHBondContact CA-O 3.45Å; L70-L136 PolarHBondContact N-O 3.21Å; I87-L136 HydrophobicContact CD1-CD2 4.38Å; L136-V138 HydrophobicContact CD2-CG2 4.21Å; L136-V138 HydrophobicContact CG-CG2 4.06Å; L136-L164 WeakPolarHBondContact CA-O 3.38Å; L136-L164 HydrophobicContact CD1-CB 4.09Å; L136-A166 HydrophobicContact CD1-CB 4.07Å; L136-F183 HydrophobicContact CD1-CD2 4.04Å; L136-F183 HydrophobicContact CD1-CE2 4.04Å
137I98.2Very high94.4Very high0 Ų028.9 Ų28.90%016%0.158CC..EExtended strand (participates in β ladder)trans-76.7131.8172.6-60.6172.5000108.2L70 V72 V135 L148 L151 V152 I155 V163 L164 V165 A166L70-I137 HydrophobicContact CD2-CG1 4.31Å; L70-I137 WeakPolarHBondContact O-CA 3.49Å; V72-I137 HydrophobicContact CG2-CG2 3.91Å; V135-I137 HydrophobicContact CG1-CG1 4.25Å; I137-L148 HydrophobicContact CG2-CD2 3.97Å; I137-L151 HydrophobicContact CD1-CD2 4.41Å; I137-L151 HydrophobicContact CD1-CG 4.22Å; I137-L151 HydrophobicContact CG2-CD2 3.81Å; I137-V152 HydrophobicContact CD1-CG2 3.88Å; I137-I155 HydrophobicContact CD1-CB 4.4Å; I137-I155 HydrophobicContact CD1-CG1 4.08Å; I137-V163 HydrophobicContact CD1-CG1 3.63Å; I137-V163 HydrophobicContact CG1-CG1 4.14Å; I137-L164 PolarHBondContact N-O 2.77Å; I137-V165 HydrophobicContact CB-CG2 4.27Å; I137-V165 HydrophobicContact CD1-CG2 4.47Å; I137-V165 WeakPolarHBondContact O-CA 3.27Å; I137-A166 PolarHBondContact O-N 3.1Å
138V98.4Very high94.5Very high0 Ų028.9 Ų28.90%016%0.158CC..EExtended strand (participates in β ladder)trans-120.6113.8-179-177.60000109.8L69 L70 V72 F79 A80 L83 L136 A166L69-V138 HydrophobicContact CD1-CG2 3.97Å; L69-V138 HydrophobicContact CD2-CB 4.03Å; L69-V138 HydrophobicContact CD2-CG2 3.59Å; L69-V138 HydrophobicContact CG-CG2 3.55Å; L70-V138 PolarHBondContact O-N 3.43Å; V72-V138 PolarHBondContact N-O 2.79Å; F79-V138 HydrophobicContact CD1-CG1 3.29Å; F79-V138 HydrophobicContact CE1-CG1 3.34Å; F79-V138 HydrophobicContact CG-CG1 3.96Å; F79-V138 HydrophobicContact CZ-CG1 4.03Å; A80-V138 HydrophobicContact CB-CB 4.28Å; A80-V138 HydrophobicContact CB-CG1 3.89Å; L83-V138 HydrophobicContact CD2-CG2 4.35Å; L136-V138 HydrophobicContact CD2-CG2 4.21Å; L136-V138 HydrophobicContact CG-CG2 4.06Å; V138-A166 WeakPolarHBondContact CA-O 3.45Å; V138-A166 HydrophobicContact CG2-CB 4.49Å
139E96.5Very high94.5Very high14 Ų1427.7 Ų27.77%0.06515%0.153CC..EExtended strand (participates in β ladder)trans-119.6142.7-178-17376.2-107.100109.5V72 F79 L148 A166 C167 L168V72-E139 WeakPolarHBondContact CG1-OE1 3.42Å; V72-E139 WeakPolarHBondContact CG1-OE2 3.48Å; F79-E139 VanDerWaalsContact CD1-O 3.26Å; F79-E139 WeakPolarHBondContact CD1-O 3.36Å; F79-E139 VanDerWaalsContact CE1-O 3.24Å; F79-E139 WeakPolarHBondContact CE1-O 3.27Å; E139-L148 HydrophobicContact CB-CD1 4.28Å; E139-L148 HydrophobicContact CB-CD2 4.39Å; E139-L148 HydrophobicContact CG-CD1 4.2Å; E139-L148 HydrophobicContact CG-CG 4.46Å; E139-A166 PolarHBondContact N-O 3.33Å; E139-C167 VanDerWaalsContact O-CA 3.29Å; E139-C167 WeakPolarHBondContact O-CA 3.29Å; E139-L168 PolarHBondContact O-N 3.34Å; E139-L168 VanDerWaalsContact O-N 3.09Å
140D97.4Very high94.4Very high19 Ų1929.1 Ų29.110%0.10215%0.151CC..EExtended strand (participates in β ladder)trans-71.9-44.5177.157.1-10.5000112.4G75 L168 L169 I198G75-D140 VanDerWaalsContact C-OD2 3.3Å; G75-D140 WeakPolarHBondContact CA-OD2 3.22Å; D140-L168 WeakPolarHBondContact O-CB 3.23Å; D140-L169 WeakPolarHBondContact O-CB 3.41Å; D140-L169 PolarHBondContact O-N 2.84Å; D140-I198 HydrophobicContact CB-CD1 4.34Å; D140-I198 HydrophobicContact CB-CG1 3.99Å; D140-I198 WeakPolarHBondContact OD2-CG1 3.38Å
141L95.3Very high94.4Very high21 Ų2129 Ų2911%0.1115%0.15CC..EExtended strand (participates in β ladder)trans-146118-168.1176.465.3000112.3D143 L169 K171L141-D143 HydrophobicContact CD2-CB 4.4Å; L141-D143 HydrophobicContact CG-CB 4.33Å; L141-D143 PolarHBondContact O-N 2.91Å; L141-L169 WeakPolarHBondContact CA-O 3.43Å; L141-L169 HydrophobicContact CB-CB 4.47Å; L141-L169 HydrophobicContact CD1-CB 3.52Å; L141-L169 HydrophobicContact CD1-CD1 4.19Å; L141-K171 HydrophobicContact CD1-CD 4.34Å; L141-K171 HydrophobicContact CD1-CG 4.04Å
142L93.4Very high94.3Very high4 Ų424.6 Ų24.62%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-86103.9162.1-176.8134.7000109.3L148 L169 V170 K171 F179 P181L142-L148 HydrophobicContact CD1-CD1 3.82Å; L142-L169 PolarHBondContact N-O 3.19Å; L142-V170 HydrophobicContact CB-CG2 4.12Å; L142-V170 HydrophobicContact CD2-CG1 3.85Å; L142-V170 HydrophobicContact CD2-CG2 4.34Å; L142-K171 PolarHBondContact O-N 3.04Å; L142-F179 HydrophobicContact CD1-CB 4.24Å; L142-F179 HydrophobicContact CD1-CD1 3.72Å; L142-F179 HydrophobicContact CD1-CG 4.36Å; L142-P181 HydrophobicContact CD1-CG 3.9Å
143D91.2Very high94.1Very high12 Ų1222.5 Ų22.56%0.06413%0.125CC..SBendtrans-97.5-81.8175.6-173-36.6000111.4L141 K171 K173 C176L141-D143 HydrophobicContact CD2-CB 4.4Å; L141-D143 HydrophobicContact CG-CB 4.33Å; L141-D143 PolarHBondContact O-N 2.91Å; D143-K171 HydrophobicContact CB-CD 4.23Å; D143-K171 WeakPolarHBondContact OD2-CD 3.24Å; D143-K171 IonicContact OD2-NZ 3.23Å; D143-K171 PolarHBondContact OD2-NZ 2.99Å; D143-K173 WeakPolarHBondContact OD1-CE 3.39Å; D143-K173 IonicContact OD1-NZ 3.52Å; D143-K173 PolarHBondContact OD1-NZ 2.94Å; D143-K173 IonicContact OD2-NZ 2.79Å; D143-C176 PolarHBondContact O-SG 3.02Å
144S87.2Confident94Very high31 Ų3122.6 Ų22.622%0.21712%0.124CC..SBendtrans-89.8-15.117661.40000112.7V115 T146 S177V115-S144 WeakPolarHBondContact CG1-OG 3.26Å; S144-T146 PolarHBondContact O-N 2.87Å; S144-T146 PolarHBondContact OG-N 2.96Å; S144-T146 PolarHBondContact OG-OG1 3.25Å; S144-T146 VanDerWaalsContact OG-OG1 3.08Å; S144-S177 WeakPolarHBondContact O-CB 3.26Å; S144-S177 PolarHBondContact O-OG 2.97Å
145G88.7Confident93.9Very high6 Ų622.4 Ų22.46%0.06212%0.123CC..SBendtrans71.25.9-172.200000115.7T147 L148 S149 S177G145-T147 VanDerWaalsContact C-N 3.32Å; G145-T147 PolarHBondContact O-N 3.09Å; G145-L148 PolarHBondContact O-N 2.85Å; G145-S149 VanDerWaalsContact O-CB 3.26Å; G145-S149 WeakPolarHBondContact O-CB 3.11Å; G145-S149 PolarHBondContact O-N 2.89Å; G145-S149 PolarHBondContact O-OG 2.83Å; G145-S177 WeakPolarHBondContact CA-OG 3.42Å
146T87.9Confident93.8Very high49 Ų4928.1 Ų28.130%0.30115%0.147SC..Hα-helixtrans-56.1-44.7177.8-580000112P119 S144 R150P119-T146 HydrophobicContact CG-CG2 4.27Å; S144-T146 PolarHBondContact O-N 2.87Å; S144-T146 PolarHBondContact OG-N 2.96Å; S144-T146 PolarHBondContact OG-OG1 3.25Å; S144-T146 VanDerWaalsContact OG-OG1 3.08Å; T146-R150 PolarHBondContact O-N 2.84Å
147T90.1Very high93.7Very high11 Ų1131.9 Ų31.97%0.06717%0.174CC..Hα-helixtrans-58.2-58.2179.3-51.30000111.5S107 T109 F121 G145 S149 R150 L151S107-T147 WeakPolarHBondContact OG-CG2 3.41Å; T109-T147 WeakPolarHBondContact CG2-OG1 3.38Å; F121-T147 HydrophobicContact CE1-CG2 4.36Å; G145-T147 VanDerWaalsContact C-N 3.32Å; G145-T147 PolarHBondContact O-N 3.09Å; T147-S149 VanDerWaalsContact C-N 3.34Å; T147-S149 PolarHBondContact O-N 3.09Å; T147-R150 PolarHBondContact O-N 3.05Å; T147-R150 VanDerWaalsContact O-N 3.15Å; T147-L151 WeakPolarHBondContact O-CB 3.3Å; T147-L151 PolarHBondContact O-N 3.4Å
148L93.2Very high93.7Very high3 Ų333.8 Ų33.82%0.01618%0.182CC..Hα-helixtrans-67.9-33.5-175.3-73.4170000112.8I137 E139 L142 G145 R150 L151 V152 V165 F179I137-L148 HydrophobicContact CG2-CD2 3.97Å; E139-L148 HydrophobicContact CB-CD1 4.28Å; E139-L148 HydrophobicContact CB-CD2 4.39Å; E139-L148 HydrophobicContact CG-CD1 4.2Å; E139-L148 HydrophobicContact CG-CG 4.46Å; L142-L148 HydrophobicContact CD1-CD1 3.82Å; G145-L148 PolarHBondContact O-N 2.85Å; L148-R150 PolarHBondContact O-N 2.86Å; L148-R150 VanDerWaalsContact O-N 3.13Å; L148-L151 HydrophobicContact CD2-CD2 4.42Å; L148-L151 PolarHBondContact O-N 2.83Å; L148-V152 WeakPolarHBondContact O-CB 3.31Å; L148-V152 WeakPolarHBondContact O-CG2 3.2Å; L148-V152 PolarHBondContact O-N 2.73Å; L148-V165 HydrophobicContact CD1-CG1 3.97Å; L148-V165 HydrophobicContact CD2-CG1 3.88Å; L148-F179 HydrophobicContact CB-CD1 4.11Å; L148-F179 HydrophobicContact CB-CD2 4.35Å; L148-F179 HydrophobicContact CB-CE1 3.97Å; L148-F179 HydrophobicContact CB-CE2 4.21Å; L148-F179 HydrophobicContact CB-CG 4.32Å; L148-F179 HydrophobicContact CB-CZ 4.04Å; L148-F179 HydrophobicContact CD1-CD1 4.31Å; L148-F179 HydrophobicContact CD1-CE1 4.12Å
149S91.2Very high93.6Very high55 Ų5539.2 Ų39.239%0.38521%0.208SC..Hα-helixtrans-62.3-20.1176-58.90000113.1G145 T147 P153G145-S149 VanDerWaalsContact O-CB 3.26Å; G145-S149 WeakPolarHBondContact O-CB 3.11Å; G145-S149 PolarHBondContact O-N 2.89Å; G145-S149 PolarHBondContact O-OG 2.83Å; T147-S149 VanDerWaalsContact C-N 3.34Å; T147-S149 PolarHBondContact O-N 3.09Å; S149-P153 VanDerWaalsContact O-CD 3.27Å; S149-P153 WeakPolarHBondContact O-CD 3.34Å; S149-P153 WeakPolarHBondContact O-CG 3.29Å
150R91.7Very high93.7Very high80 Ų8039.5 Ų39.530%0.30221%0.211SC..Hα-helixtrans-105.7-38174.5-57.9-162-152.6172.4-16.6113.5E118 P119 F121 T146 T147 L148 V152 P153 Y154E118-R150 VanDerWaalsContact CA-NH1 3.27Å; E118-R150 VanDerWaalsContact CD-CZ 3.46Å; E118-R150 IonicContact OE1-CZ 2.83Å; E118-R150 IonicContact OE1-NH1 2.8Å; E118-R150 PolarHBondContact OE1-NH1 3.38Å; E118-R150 IonicContact OE1-NH2 3.04Å; E118-R150 PolarHBondContact OE1-NH2 3.45Å; E118-R150 IonicContact OE2-CZ 3.45Å; E118-R150 IonicContact OE2-NH1 2.73Å; E118-R150 PolarHBondContact OE2-NH1 2.83Å; E118-R150 IonicContact OE2-NH2 2.67Å; E118-R150 PolarHBondContact OE2-NH2 3.44Å; P119-R150 HydrophobicContact CG-CB 4.36Å; P119-R150 HydrophobicContact CG-CG 4.33Å; F121-R150 HydrophobicContact CE2-CB 4.12Å; F121-R150 HydrophobicContact CZ-CB 4.11Å; T146-R150 PolarHBondContact O-N 2.84Å; T147-R150 PolarHBondContact O-N 3.05Å; T147-R150 VanDerWaalsContact O-N 3.15Å; L148-R150 PolarHBondContact O-N 2.86Å; L148-R150 VanDerWaalsContact O-N 3.13Å; R150-V152 VanDerWaalsContact C-N 3.34Å; R150-V152 PolarHBondContact O-N 3.25Å; R150-P153 WeakPolarHBondContact O-CD 3.43Å; R150-Y154 VanDerWaalsContact O-CB 3.29Å; R150-Y154 WeakPolarHBondContact O-CB 3.3Å; R150-Y154 PolarHBondContact O-N 2.91Å
151L94Very high93.7Very high0 Ų044 Ų440%023%0.226CC..Hα-helixtrans-61.9-44.1179.8-178.657.9000110.8V72 I105 F121 I137 T147 L148 Y154 I155V72-L151 HydrophobicContact CG2-CD2 3.56Å; I105-L151 HydrophobicContact CD1-CD1 3.66Å; I105-L151 HydrophobicContact CG2-CD1 4.46Å; I105-L151 HydrophobicContact CG2-CD2 4.45Å; F121-L151 HydrophobicContact CD1-CD1 4.06Å; F121-L151 HydrophobicContact CD2-CD1 4.5Å; F121-L151 HydrophobicContact CE1-CB 3.9Å; F121-L151 HydrophobicContact CE1-CD1 3.9Å; F121-L151 HydrophobicContact CE1-CG 4.35Å; F121-L151 HydrophobicContact CE2-CB 4.3Å; F121-L151 HydrophobicContact CE2-CD1 4.35Å; F121-L151 HydrophobicContact CG-CD1 4.38Å; F121-L151 HydrophobicContact CZ-CB 3.58Å; F121-L151 HydrophobicContact CZ-CD1 4.06Å; F121-L151 HydrophobicContact CZ-CG 4.39Å; I137-L151 HydrophobicContact CD1-CD2 4.41Å; I137-L151 HydrophobicContact CD1-CG 4.22Å; I137-L151 HydrophobicContact CG2-CD2 3.81Å; T147-L151 WeakPolarHBondContact O-CB 3.3Å; T147-L151 PolarHBondContact O-N 3.4Å; L148-L151 HydrophobicContact CD2-CD2 4.42Å; L148-L151 PolarHBondContact O-N 2.83Å; L151-Y154 HydrophobicContact CD1-CD1 4.27Å; L151-Y154 WeakPolarHBondContact O-CB 3.23Å; L151-Y154 PolarHBondContact O-N 3.02Å; L151-I155 HydrophobicContact CD1-CD1 4.11Å; L151-I155 HydrophobicContact CD1-CG1 3.85Å; L151-I155 HydrophobicContact CG-CG1 4.23Å; L151-I155 WeakPolarHBondContact O-CG1 3.49Å; L151-I155 PolarHBondContact O-N 3.19Å
152V96Very high93.8Very high11 Ų1144 Ų447%0.06723%0.228CC..Hα-helixtrans-64-49.7-177.2171.80000112.2I137 L148 R150 Y154 I155 K156 V163 V165 F179I137-V152 HydrophobicContact CD1-CG2 3.88Å; L148-V152 WeakPolarHBondContact O-CB 3.31Å; L148-V152 WeakPolarHBondContact O-CG2 3.2Å; L148-V152 PolarHBondContact O-N 2.73Å; R150-V152 VanDerWaalsContact C-N 3.34Å; R150-V152 PolarHBondContact O-N 3.25Å; V152-Y154 VanDerWaalsContact C-N 3.3Å; V152-Y154 PolarHBondContact O-N 3.16Å; V152-I155 PolarHBondContact O-N 3.15Å; V152-K156 HydrophobicContact CG1-CD 4.1Å; V152-K156 WeakPolarHBondContact O-CB 3.46Å; V152-K156 VanDerWaalsContact O-CG 3.31Å; V152-K156 WeakPolarHBondContact O-CG 3.43Å; V152-K156 PolarHBondContact O-N 3.37Å; V152-V163 HydrophobicContact CG1-CG1 4.4Å; V152-V165 HydrophobicContact CG2-CG2 3.76Å; V152-F179 HydrophobicContact CB-CE2 4.17Å; V152-F179 HydrophobicContact CB-CZ 4.39Å; V152-F179 HydrophobicContact CG2-CE2 3.8Å; V152-F179 HydrophobicContact CG2-CZ 3.57Å
153P94.5Very high94.1Very high75 Ų7544.8 Ų44.849%0.48723%0.233SC..Hα-helixtrans-58.1-39.6170.9-26.935.3000113.7S149 R150 K156 S157S149-P153 VanDerWaalsContact O-CD 3.27Å; S149-P153 WeakPolarHBondContact O-CD 3.34Å; S149-P153 WeakPolarHBondContact O-CG 3.29Å; R150-P153 WeakPolarHBondContact O-CD 3.43Å; P153-K156 PolarHBondContact O-N 3.04Å; P153-S157 PolarHBondContact O-N 3.3Å
154Y93.8Very high94.4Very high79 Ų7945 Ų4531%0.3123%0.234SC..Hα-helixtrans-60.7-48.9177.2176.5-116.4000111.8I105 F121 L127 R150 L151 V152 K156 S157 F158I105-Y154 HydrophobicContact CD1-CE1 4.19Å; F121-Y154 HydrophobicContact CB-CE1 4.22Å; F121-Y154 AromaticContact CD2-CD1 3.82Å; F121-Y154 HydrophobicContact CD2-CD1 3.82Å; F121-Y154 HydrophobicContact CD2-CE1 4.26Å; F121-Y154 HydrophobicContact CD2-CG 4.18Å; F121-Y154 HydrophobicContact CE2-CD1 4.42Å; F121-Y154 HydrophobicContact CG-CD1 4.39Å; L127-Y154 HydrophobicContact CD1-CD1 4.29Å; L127-Y154 HydrophobicContact CD1-CE1 3.42Å; L127-Y154 VanDerWaalsContact CD1-CE1 3.42Å; R150-Y154 VanDerWaalsContact O-CB 3.29Å; R150-Y154 WeakPolarHBondContact O-CB 3.3Å; R150-Y154 PolarHBondContact O-N 2.91Å; L151-Y154 HydrophobicContact CD1-CD1 4.27Å; L151-Y154 WeakPolarHBondContact O-CB 3.23Å; L151-Y154 PolarHBondContact O-N 3.02Å; V152-Y154 VanDerWaalsContact C-N 3.3Å; V152-Y154 PolarHBondContact O-N 3.16Å; Y154-K156 PolarHBondContact O-N 3.07Å; Y154-S157 WeakPolarHBondContact O-CB 3.44Å; Y154-S157 PolarHBondContact O-N 2.96Å; Y154-S157 PolarHBondContact O-OG 2.6Å; Y154-F158 HydrophobicContact CD1-CE2 4.45Å; Y154-F158 HydrophobicContact CD2-CE2 4.2Å; Y154-F158 HydrophobicContact CE1-CE2 4.1Å; Y154-F158 AromaticContact CE2-CE2 3.81Å; Y154-F158 HydrophobicContact CE2-CE2 3.81Å; Y154-F158 HydrophobicContact CE2-CZ 4.01Å; Y154-F158 AromaticContact CZ-CE2 3.77Å; Y154-F158 AromaticContact CZ-CZ 3.95Å; Y154-F158 VanDerWaalsContact O-CD2 3.26Å; Y154-F158 WeakPolarHBondContact O-CD2 3.26Å; Y154-F158 WeakPolarHBondContact O-CE2 3.17Å
155I96.3Very high94.9Very high0 Ų043.7 Ų43.70%023%0.225CC..Hα-helixtrans-64.3-40175.9-62.9-52.2000111.6L70 L127 F130 V135 I137 L151 V152 S157 F158 P160 V163L70-I155 HydrophobicContact CD2-CD1 3.58Å; L70-I155 HydrophobicContact CD2-CG1 3.87Å; L127-I155 HydrophobicContact CD1-CD1 3.8Å; F130-I155 HydrophobicContact CD2-CD1 4.47Å; F130-I155 HydrophobicContact CD2-CG2 4.22Å; F130-I155 HydrophobicContact CE2-CD1 4.34Å; V135-I155 HydrophobicContact CG1-CG2 4.17Å; I137-I155 HydrophobicContact CD1-CB 4.4Å; I137-I155 HydrophobicContact CD1-CG1 4.08Å; L151-I155 HydrophobicContact CD1-CD1 4.11Å; L151-I155 HydrophobicContact CD1-CG1 3.85Å; L151-I155 HydrophobicContact CG-CG1 4.23Å; L151-I155 WeakPolarHBondContact O-CG1 3.49Å; L151-I155 PolarHBondContact O-N 3.19Å; V152-I155 PolarHBondContact O-N 3.15Å; I155-S157 PolarHBondContact O-N 3.46Å; I155-F158 PolarHBondContact O-N 3.19Å; I155-F158 VanDerWaalsContact O-N 3.14Å; I155-P160 HydrophobicContact CG2-CG 4.44Å; I155-P160 WeakPolarHBondContact O-CD 3.48Å; I155-V163 HydrophobicContact CG2-CG1 4.45Å; I155-V163 HydrophobicContact CG2-CG2 4.04Å
156K97.2Very high95.3Very high120 Ų12043.4 Ų43.452%0.52222%0.222SC..Hα-helixtrans-61.2-27.1175.5-76.6178.3177179.20113.3V152 P153 Y154 F158 E159 V163V152-K156 HydrophobicContact CG1-CD 4.1Å; V152-K156 WeakPolarHBondContact O-CB 3.46Å; V152-K156 VanDerWaalsContact O-CG 3.31Å; V152-K156 WeakPolarHBondContact O-CG 3.43Å; V152-K156 PolarHBondContact O-N 3.37Å; P153-K156 PolarHBondContact O-N 3.04Å; Y154-K156 PolarHBondContact O-N 3.07Å; K156-F158 PolarHBondContact O-N 3.38Å; K156-E159 PolarHBondContact O-N 3.3Å; K156-V163 HydrophobicContact CG-CB 4.43Å; K156-V163 HydrophobicContact CG-CG2 3.85Å
157S96.4Very high95.7Very high79 Ų7941.1 Ų41.155%0.55221%0.208SC*.THydrogen-bonded Turntrans-65.2-17.1177.379.30000113.9P153 Y154 I155 E159P153-S157 PolarHBondContact O-N 3.3Å; Y154-S157 WeakPolarHBondContact O-CB 3.44Å; Y154-S157 PolarHBondContact O-N 2.96Å; Y154-S157 PolarHBondContact O-OG 2.6Å; I155-S157 PolarHBondContact O-N 3.46Å; S157-E159 VanDerWaalsContact C-N 3.28Å
158F96.5Very high96.1Very high41 Ų4140.6 Ų40.618%0.1820%0.204CC..THydrogen-bonded Turntrans-88.911.5173.6-60.6-82.6000113.4L127 T128 K131 Y154 I155 K156 P160L127-F158 HydrophobicContact CB-CD1 3.89Å; L127-F158 HydrophobicContact CB-CD2 3.86Å; L127-F158 HydrophobicContact CB-CE1 3.71Å; L127-F158 HydrophobicContact CB-CE2 3.68Å; L127-F158 HydrophobicContact CB-CG 3.96Å; L127-F158 HydrophobicContact CB-CZ 3.6Å; L127-F158 HydrophobicContact CD1-CD2 4.24Å; L127-F158 HydrophobicContact CD1-CE2 3.6Å; L127-F158 HydrophobicContact CD1-CZ 3.96Å; L127-F158 HydrophobicContact CG-CE2 4.33Å; L127-F158 HydrophobicContact CG-CZ 4.38Å; T128-F158 HydrophobicContact CG2-CD1 4.03Å; T128-F158 HydrophobicContact CG2-CE1 4.23Å; K131-F158 VanDerWaalsContact CA-O 3.25Å; K131-F158 WeakPolarHBondContact CA-O 3.4Å; K131-F158 WeakPolarHBondContact CB-O 3.43Å; K131-F158 PolarHBondContact N-O 2.95Å; Y154-F158 HydrophobicContact CD1-CE2 4.45Å; Y154-F158 HydrophobicContact CD2-CE2 4.2Å; Y154-F158 HydrophobicContact CE1-CE2 4.1Å; Y154-F158 AromaticContact CE2-CE2 3.81Å; Y154-F158 HydrophobicContact CE2-CE2 3.81Å; Y154-F158 HydrophobicContact CE2-CZ 4.01Å; Y154-F158 AromaticContact CZ-CE2 3.77Å; Y154-F158 AromaticContact CZ-CZ 3.95Å; Y154-F158 VanDerWaalsContact O-CD2 3.26Å; Y154-F158 WeakPolarHBondContact O-CD2 3.26Å; Y154-F158 WeakPolarHBondContact O-CE2 3.17Å; I155-F158 PolarHBondContact O-N 3.19Å; I155-F158 VanDerWaalsContact O-N 3.14Å; K156-F158 PolarHBondContact O-N 3.38Å; F158-P160 VanDerWaalsContact C-CD 3.47Å
159E97.5Very high96.3Very high114 Ų11440.4 Ų40.453%0.53320%0.204SC..  trans55.746.5176.6-53.6178.5152.200115.1K131 D132 K156 S157K131-E159 WeakPolarHBondContact CA-O 3.19Å; K131-E159 WeakPolarHBondContact CE-OE2 3.5Å; K131-E159 HydrophobicContact CG-CB 4.4Å; K131-E159 IonicContact NZ-OE2 3.58Å; K131-E159 PolarHBondContact NZ-OE2 2.57Å; D132-E159 PolarHBondContact N-O 3.21Å; K156-E159 PolarHBondContact O-N 3.3Å; S157-E159 VanDerWaalsContact C-N 3.28Å
160P98.1Very high96.5Very high20 Ų2038.8 Ų38.813%0.1319%0.191CC..  trans-64.8151.6170.131.2-36.2000111.2F130 K133 V135 I155 F158 S162 V163F130-P160 VanDerWaalsContact O-CA 3.26Å; F130-P160 WeakPolarHBondContact O-CA 3.17Å; F130-P160 WeakPolarHBondContact O-CB 3.49Å; K133-P160 CarbonylContact O-C 3.58Å; K133-P160 WeakPolarHBondContact O-CA 3.2Å; K133-P160 VanDerWaalsContact O-CB 3.31Å; K133-P160 WeakPolarHBondContact O-CB 3.48Å; V135-P160 HydrophobicContact CG2-CB 3.92Å; I155-P160 HydrophobicContact CG2-CG 4.44Å; I155-P160 WeakPolarHBondContact O-CD 3.48Å; F158-P160 VanDerWaalsContact C-CD 3.47Å; P160-S162 VanDerWaalsContact C-N 3.32Å; P160-S162 PolarHBondContact O-N 2.99Å; P160-V163 HydrophobicContact CB-CG2 4.08Å; P160-V163 HydrophobicContact CG-CG2 3.3Å
161R98Very high96.6Very high112 Ų11235.6 Ų35.642%0.42318%0.18SC..SBendtrans-63.7-38.7175.2-169.4-178.577.1125.512111.8L62 K133 D134L62-R161 PolarHBondContact O-NH1 2.62Å; L62-R161 PolarHBondContact O-NH2 2.96Å; K133-R161 PolarHBondContact O-N 2.73Å; D134-R161 VanDerWaalsContact CG-NE 3.31Å; D134-R161 IonicContact OD1-CZ 3.1Å; D134-R161 IonicContact OD1-NE 3.04Å; D134-R161 PolarHBondContact OD1-NE 3.35Å; D134-R161 IonicContact OD1-NH2 2.6Å; D134-R161 PolarHBondContact OD1-NH2 2.78Å; D134-R161 IonicContact OD2-CZ 3.09Å; D134-R161 IonicContact OD2-NE 2.7Å; D134-R161 PolarHBondContact OD2-NE 2.91Å; D134-R161 IonicContact OD2-NH2 3.2Å; D134-R161 PolarHBondContact OD2-NH2 3.31Å
162S97.9Very high96.4Very high21 Ų2139.6 Ų39.615%0.14720%0.195CC..EExtended strand (participates in β ladder)trans-150.1151.6172.669.80000111.1K133 D134 V135 P160K133-S162 PolarHBondContact O-N 3.37Å; D134-S162 PolarHBondContact OD1-OG 2.98Å; V135-S162 PolarHBondContact N-O 2.78Å; P160-S162 VanDerWaalsContact C-N 3.32Å; P160-S162 PolarHBondContact O-N 2.99Å
163V98Very high95.9Very high22 Ų2242.2 Ų42.213%0.13321%0.205CC..EExtended strand (participates in β ladder)trans-130.4115.2170.3-175.60000107.4V135 I137 V152 I155 K156 P160V135-V163 WeakPolarHBondContact O-CA 3.14Å; I137-V163 HydrophobicContact CD1-CG1 3.63Å; I137-V163 HydrophobicContact CG1-CG1 4.14Å; V152-V163 HydrophobicContact CG1-CG1 4.4Å; I155-V163 HydrophobicContact CG2-CG1 4.45Å; I155-V163 HydrophobicContact CG2-CG2 4.04Å; K156-V163 HydrophobicContact CG-CB 4.43Å; K156-V163 HydrophobicContact CG-CG2 3.85Å; P160-V163 HydrophobicContact CB-CG2 4.08Å; P160-V163 HydrophobicContact CG-CG2 3.3Å
164L97.8Very high94.8Very high17 Ų1748.1 Ų48.19%0.08923%0.226CC..EExtended strand (participates in β ladder)trans-113.8155.4171.6-58.7-179.1000109.7T58 F59 L62 V135 L136 I137 D182 F183T58-L164 HydrophobicContact CG2-CD1 3.61Å; F59-L164 HydrophobicContact CE1-CD1 3.92Å; F59-L164 HydrophobicContact CE1-CG 4.47Å; F59-L164 HydrophobicContact CE2-CD1 4.15Å; F59-L164 HydrophobicContact CZ-CB 4.36Å; F59-L164 HydrophobicContact CZ-CD1 3.75Å; F59-L164 HydrophobicContact CZ-CG 4.27Å; L62-L164 HydrophobicContact CD1-CD1 4.03Å; V135-L164 PolarHBondContact O-N 3.46Å; L136-L164 WeakPolarHBondContact CA-O 3.38Å; L136-L164 HydrophobicContact CD1-CB 4.09Å; I137-L164 PolarHBondContact N-O 2.77Å; L164-D182 VanDerWaalsContact CA-OD2 3.31Å; L164-D182 WeakPolarHBondContact CA-OD2 3.43Å; L164-D182 HydrophobicContact CB-CB 4.33Å; L164-D182 HydrophobicContact CD2-CB 4.33Å; L164-F183 HydrophobicContact CB-CE2 4.1Å; L164-F183 HydrophobicContact CD1-CE2 3.93Å; L164-F183 HydrophobicContact CD1-CZ 4.14Å
165V97.5Very high93.5Very high3 Ų351.9 Ų51.92%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-121.6129.7180-175.50000111.1I137 L148 V152 F179 P181 D182 F183I137-V165 HydrophobicContact CB-CG2 4.27Å; I137-V165 HydrophobicContact CD1-CG2 4.47Å; I137-V165 WeakPolarHBondContact O-CA 3.27Å; L148-V165 HydrophobicContact CD1-CG1 3.97Å; L148-V165 HydrophobicContact CD2-CG1 3.88Å; V152-V165 HydrophobicContact CG2-CG2 3.76Å; V165-F179 HydrophobicContact CB-CE1 4.33Å; V165-F179 HydrophobicContact CG1-CE1 4.3Å; V165-F179 HydrophobicContact CG2-CE1 4.13Å; V165-F179 HydrophobicContact CG2-CZ 3.88Å; V165-P181 HydrophobicContact CB-CB 4.35Å; V165-P181 HydrophobicContact CG1-CB 4.15Å; V165-D182 PolarHBondContact N-OD2 2.8Å; V165-D182 PolarHBondContact O-N 3.4Å; V165-F183 PolarHBondContact O-N 3.22Å
166A97.8Very high91.9Very high0 Ų053.7 Ų53.70%026%0.264CS..EExtended strand (participates in β ladder)trans-109.8125.2166.800000110.1F79 L83 L136 I137 V138 E139 F183F79-A166 HydrophobicContact CE1-CB 4.45Å; F79-A166 HydrophobicContact CZ-CB 4.14Å; L83-A166 HydrophobicContact CD2-CB 4.39Å; L136-A166 HydrophobicContact CD1-CB 4.07Å; I137-A166 PolarHBondContact O-N 3.1Å; V138-A166 WeakPolarHBondContact CA-O 3.45Å; V138-A166 HydrophobicContact CG2-CB 4.49Å; E139-A166 PolarHBondContact N-O 3.33Å; A166-F183 CarbonylContact C-O 3.53Å; A166-F183 WeakPolarHBondContact CA-O 3.5Å; A166-F183 HydrophobicContact CB-CB 4.01Å; A166-F183 HydrophobicContact CB-CD2 4.27Å
167C97.1Very high90.3Very high0 Ų049.7 Ų49.70%025%0.251CS..EExtended strand (participates in β ladder)trans-112.4135.2170.5-690000109.8E139 V170 P181 F183 V184 G185E139-C167 VanDerWaalsContact O-CA 3.29Å; E139-C167 WeakPolarHBondContact O-CA 3.29Å; C167-V170 HydrophobicContact CB-CG2 4.4Å; C167-P181 HydrophobicContact CB-CB 4.19Å; C167-P181 HydrophobicContact CB-CG 3.99Å; C167-P181 WeakPolarHBondContact SG-CG 3.47Å; C167-F183 PolarHBondContact N-O 3.23Å; C167-V184 CarbonylContact O-C 3.58Å; C167-V184 WeakPolarHBondContact O-CA 3.41Å; C167-G185 PolarHBondContact O-N 2.79Å
168L98.2Very high89.3Confident0 Ų055.1 Ų55.10%027%0.268CS..EExtended strand (participates in β ladder)trans-69-47.1170.6175.565000109.8I44 L48 F79 E139 D140 G185 F186 Y196 I210I44-L168 HydrophobicContact CG2-CD1 4.1Å; L48-L168 HydrophobicContact CD2-CD1 4.22Å; F79-L168 HydrophobicContact CB-CB 4.43Å; F79-L168 HydrophobicContact CB-CD2 4.4Å; F79-L168 HydrophobicContact CD1-CB 3.65Å; F79-L168 HydrophobicContact CD2-CB 4.13Å; F79-L168 HydrophobicContact CD2-CD1 4.35Å; F79-L168 HydrophobicContact CE1-CB 3.83Å; F79-L168 HydrophobicContact CE2-CB 4.3Å; F79-L168 HydrophobicContact CE2-CD1 4.49Å; F79-L168 HydrophobicContact CG-CB 3.82Å; F79-L168 HydrophobicContact CZ-CB 4.17Å; E139-L168 PolarHBondContact O-N 3.34Å; E139-L168 VanDerWaalsContact O-N 3.09Å; D140-L168 WeakPolarHBondContact O-CB 3.23Å; L168-G185 CarbonylContact O-C 3.57Å; L168-G185 WeakPolarHBondContact O-CA 3.47Å; L168-G185 PolarHBondContact O-N 2.8Å; L168-F186 HydrophobicContact CD1-CD2 4Å; L168-F186 HydrophobicContact CD1-CE2 3.94Å; L168-F186 PolarHBondContact O-N 3.23Å; L168-Y196 HydrophobicContact CD2-CD1 3.41Å; L168-Y196 VanDerWaalsContact CD2-CD1 3.41Å; L168-Y196 HydrophobicContact CD2-CE1 3.59Å; L168-I210 HydrophobicContact CD2-CD1 3.8Å; L168-I210 HydrophobicContact CG-CD1 4.26Å
169L97.2Very high88.9Confident0 Ų055.4 Ų55.40%027%0.269CS..EExtended strand (participates in β ladder)trans-122.3143.8-177.1-58.2-177.8000111.9D140 L141 L142 F186 V188 I193 I198 I210D140-L169 WeakPolarHBondContact O-CB 3.41Å; D140-L169 PolarHBondContact O-N 2.84Å; L141-L169 WeakPolarHBondContact CA-O 3.43Å; L141-L169 HydrophobicContact CB-CB 4.47Å; L141-L169 HydrophobicContact CD1-CB 3.52Å; L141-L169 HydrophobicContact CD1-CD1 4.19Å; L142-L169 PolarHBondContact N-O 3.19Å; L169-F186 CarbonylContact C-O 3.59Å; L169-F186 WeakPolarHBondContact CA-O 3.31Å; L169-F186 HydrophobicContact CD2-CB 3.79Å; L169-F186 HydrophobicContact CD2-CD2 4.09Å; L169-F186 HydrophobicContact CD2-CG 4.29Å; L169-V188 HydrophobicContact CB-CG2 4.42Å; L169-V188 HydrophobicContact CD2-CG1 3.84Å; L169-I193 HydrophobicContact CD1-CG2 3.76Å; L169-I198 HydrophobicContact CD1-CD1 3.57Å; L169-I210 HydrophobicContact CD1-CD1 4.02Å; L169-I210 HydrophobicContact CD1-CG2 3.83Å; L169-I210 HydrophobicContact CD2-CD1 3.68Å; L169-I210 HydrophobicContact CG-CD1 4.11Å
170V94.9Very high88.5Confident21 Ų2157.1 Ų57.113%0.12728%0.277CS..EExtended strand (participates in β ladder)trans-124.9126164.6171.20000107.8L142 C167 P181 V184 F186 E187 V188L142-V170 HydrophobicContact CB-CG2 4.12Å; L142-V170 HydrophobicContact CD2-CG1 3.85Å; L142-V170 HydrophobicContact CD2-CG2 4.34Å; C167-V170 HydrophobicContact CB-CG2 4.4Å; V170-P181 HydrophobicContact CG2-CG 4.33Å; V170-V184 HydrophobicContact CB-CG1 4.21Å; V170-V184 HydrophobicContact CG2-CB 4.41Å; V170-V184 HydrophobicContact CG2-CG1 3.63Å; V170-V184 HydrophobicContact CG2-CG2 3.82Å; V170-F186 PolarHBondContact N-O 2.95Å; V170-E187 CarbonylContact O-C 3.59Å; V170-E187 WeakPolarHBondContact O-CA 3.3Å; V170-V188 PolarHBondContact O-N 3Å
171K93.3Very high88.3Confident13 Ų1356.7 Ų56.76%0.05727%0.274CS..EExtended strand (participates in β ladder)trans-79.8132.4173.7-84.3174.3-172.5179.10111L141 L142 D143 K173 V188 R191L141-K171 HydrophobicContact CD1-CD 4.34Å; L141-K171 HydrophobicContact CD1-CG 4.04Å; L142-K171 PolarHBondContact O-N 3.04Å; D143-K171 HydrophobicContact CB-CD 4.23Å; D143-K171 WeakPolarHBondContact OD2-CD 3.24Å; D143-K171 IonicContact OD2-NZ 3.23Å; D143-K171 PolarHBondContact OD2-NZ 2.99Å; K171-K173 HydrophobicContact CB-CG 4.32Å; K171-K173 PolarHBondContact O-N 2.98Å; K171-V188 HydrophobicContact CG-CG2 4.11Å; K171-R191 WeakPolarHBondContact CE-O 3.27Å; K171-R191 PolarHBondContact NZ-O 2.91Å
172R90.2Very high88.2Confident83 Ų8352.1 Ų52.131%0.31326%0.258SS..  trans-73.7105.7168.1-165.3-169.6-52-72.1-5.8109.6D14 E187 V188 N190D14-R172 IonicContact OD1-NE 2.72Å; R172-E187 HydrophobicContact CB-CG 4.46Å; R172-E187 IonicContact CZ-OE1 3.43Å; R172-E187 IonicContact NH1-OE1 3.85Å; R172-E187 PolarHBondContact NH1-OE1 3.05Å; R172-E187 IonicContact NH1-OE2 3.6Å; R172-E187 PolarHBondContact NH1-OE2 2.84Å; R172-E187 IonicContact NH2-OE1 3.73Å; R172-E187 PolarHBondContact NH2-OE1 2.8Å; R172-V188 PolarHBondContact N-O 3.21Å; R172-N190 WeakPolarHBondContact O-CB 3.21Å
173K84.6Confident88.1Confident67 Ų6751.5 Ų51.529%0.29125%0.253SS..  trans-128142176.5-72.2-175.3166.3-166.60110.7D143 K171 N175 C176 N190D143-K173 WeakPolarHBondContact OD1-CE 3.39Å; D143-K173 IonicContact OD1-NZ 3.52Å; D143-K173 PolarHBondContact OD1-NZ 2.94Å; D143-K173 IonicContact OD2-NZ 2.79Å; K171-K173 HydrophobicContact CB-CG 4.32Å; K171-K173 PolarHBondContact O-N 2.98Å; K173-N175 PolarHBondContact O-N 2.84Å; K173-C176 HydrophobicContact CB-CB 4Å; K173-C176 PolarHBondContact O-N 2.55Å; K173-N190 WeakPolarHBondContact CE-OD1 3.31Å; K173-N190 HydrophobicContact CG-CB 4.26Å
174Q73.3Confident88Confident198 Ų19851.2 Ų51.293%0.92525%0.251SS*.THydrogen-bonded Turntrans-61.8-27.7177.9-66.7-176.313.600112.9
175N65.8Low88Confident158 Ų15850.4 Ų50.485%0.84525%0.247SC*.THydrogen-bonded Turntrans-121.836.2-178.6-60.6-30.1000112K173K173-N175 PolarHBondContact O-N 2.84Å
176C62.3Low88Confident39 Ų3950.2 Ų50.226%0.26425%0.246SC..  trans-67.2154.6177.5-150.50000110.9D143 K173D143-C176 PolarHBondContact O-SG 3.02Å; K173-C176 HydrophobicContact CB-CB 4Å; K173-C176 PolarHBondContact O-N 2.55Å
177S64.3Low87.9Confident35 Ų3551.9 Ų51.925%0.24525%0.254CS..  trans-57.3152.8173.265.10000111S144 G145 F179S144-S177 WeakPolarHBondContact O-CB 3.26Å; S144-S177 PolarHBondContact O-OG 2.97Å; G145-S177 WeakPolarHBondContact CA-OG 3.42Å; S177-F179 PolarHBondContact O-N 3.11Å; S177-F179 WeakPolarHBondContact OG-CB 3.32Å; S177-F179 PolarHBondContact OG-N 2.81Å
178E75.8Confident87.9Confident194 Ų19451.9 Ų51.991%0.90725%0.254SS*.SBendtrans-68.84.9169.6-61.2-175.6164.400112.7Q180E178-Q180 PolarHBondContact O-N 3.25Å
179F87Confident87.7Confident46 Ų4652.2 Ų52.220%0.20226%0.256CS..  trans-71.5118.5-178.4-165.7-79000110L142 L148 V152 V165 S177 P181L142-F179 HydrophobicContact CD1-CB 4.24Å; L142-F179 HydrophobicContact CD1-CD1 3.72Å; L142-F179 HydrophobicContact CD1-CG 4.36Å; L148-F179 HydrophobicContact CB-CD1 4.11Å; L148-F179 HydrophobicContact CB-CD2 4.35Å; L148-F179 HydrophobicContact CB-CE1 3.97Å; L148-F179 HydrophobicContact CB-CE2 4.21Å; L148-F179 HydrophobicContact CB-CG 4.32Å; L148-F179 HydrophobicContact CB-CZ 4.04Å; L148-F179 HydrophobicContact CD1-CD1 4.31Å; L148-F179 HydrophobicContact CD1-CE1 4.12Å; V152-F179 HydrophobicContact CB-CE2 4.17Å; V152-F179 HydrophobicContact CB-CZ 4.39Å; V152-F179 HydrophobicContact CG2-CE2 3.8Å; V152-F179 HydrophobicContact CG2-CZ 3.57Å; V165-F179 HydrophobicContact CB-CE1 4.33Å; V165-F179 HydrophobicContact CG1-CE1 4.3Å; V165-F179 HydrophobicContact CG2-CE1 4.13Å; V165-F179 HydrophobicContact CG2-CZ 3.88Å; S177-F179 PolarHBondContact O-N 3.11Å; S177-F179 WeakPolarHBondContact OG-CB 3.32Å; S177-F179 PolarHBondContact OG-N 2.81Å; F179-P181 HydrophobicContact CD1-CG 4.37Å; F179-P181 HydrophobicContact CE1-CG 4.44Å
180Q88.5Confident87.5Confident151 Ų15156.7 Ų56.771%0.70628%0.279SS*.  trans-109.9109.3178.4-67.7-178.5-8.200109.7E178E178-Q180 PolarHBondContact O-N 3.25Å
181P94.1Very high87.5Confident11 Ų1158.2 Ų58.27%0.07128%0.283CS..  trans-60.6150.3170.5-20.833.2000111.3L142 V165 C167 V170 F179 V184L142-P181 HydrophobicContact CD1-CG 3.9Å; V165-P181 HydrophobicContact CB-CB 4.35Å; V165-P181 HydrophobicContact CG1-CB 4.15Å; C167-P181 HydrophobicContact CB-CB 4.19Å; C167-P181 HydrophobicContact CB-CG 3.99Å; C167-P181 WeakPolarHBondContact SG-CG 3.47Å; V170-P181 HydrophobicContact CG2-CG 4.33Å; F179-P181 HydrophobicContact CD1-CG 4.37Å; F179-P181 HydrophobicContact CE1-CG 4.44Å; P181-V184 HydrophobicContact CB-CG2 3.91Å; P181-V184 HydrophobicContact CG-CG2 4.15Å
182D95.8Very high87.5Confident16 Ų1659.7 Ų59.79%0.08629%0.289CS..SBendtrans-74.4-30.5177.8-60.4-79.4000112Y5 R6 L164 V165Y5-D182 WeakPolarHBondContact CD2-O 3.48Å; R6-D182 IonicContact CZ-OD1 3.81Å; R6-D182 IonicContact NE-OD1 3.64Å; R6-D182 IonicContact NH2-OD1 3.46Å; R6-D182 PolarHBondContact NH2-OD1 2.63Å; R6-D182 VanDerWaalsContact NH2-OD1 3.09Å; L164-D182 VanDerWaalsContact CA-OD2 3.31Å; L164-D182 WeakPolarHBondContact CA-OD2 3.43Å; L164-D182 HydrophobicContact CB-CB 4.33Å; L164-D182 HydrophobicContact CD2-CB 4.33Å; V165-D182 PolarHBondContact N-OD2 2.8Å; V165-D182 PolarHBondContact O-N 3.4Å
183F96.7Very high87.8Confident8 Ų855.9 Ų55.94%0.03528%0.275CS..EExtended strand (participates in β ladder)trans-130.5129.2177.1-48-80000110.5Y5 M51 D54 I55 T58 L136 L164 V165 A166 C167Y5-F183 HydrophobicContact CD2-CD1 4.22Å; Y5-F183 AromaticContact CD2-CE1 3.92Å; Y5-F183 HydrophobicContact CD2-CE1 3.92Å; Y5-F183 HydrophobicContact CE2-CD1 4.36Å; Y5-F183 AromaticContact CE2-CE1 3.77Å; Y5-F183 HydrophobicContact CE2-CE1 3.77Å; Y5-F183 HydrophobicContact CE2-CZ 4.16Å; M51-F183 HydrophobicContact CE-CB 4.19Å; D54-F183 HydrophobicContact CB-CD1 4.28Å; D54-F183 HydrophobicContact CB-CE1 4.28Å; I55-F183 HydrophobicContact CB-CE1 4.45Å; I55-F183 HydrophobicContact CB-CZ 4.36Å; I55-F183 HydrophobicContact CD1-CD2 4.46Å; I55-F183 HydrophobicContact CD1-CG 4.39Å; I55-F183 HydrophobicContact CG1-CB 4.49Å; I55-F183 HydrophobicContact CG1-CD1 3.75Å; I55-F183 HydrophobicContact CG1-CD2 3.78Å; I55-F183 HydrophobicContact CG1-CE1 3.82Å; I55-F183 HydrophobicContact CG1-CE2 3.84Å; I55-F183 HydrophobicContact CG1-CG 3.72Å; I55-F183 HydrophobicContact CG1-CZ 3.86Å; T58-F183 HydrophobicContact CG2-CZ 3.95Å; L136-F183 HydrophobicContact CD1-CD2 4.04Å; L136-F183 HydrophobicContact CD1-CE2 4.04Å; L164-F183 HydrophobicContact CB-CE2 4.1Å; L164-F183 HydrophobicContact CD1-CE2 3.93Å; L164-F183 HydrophobicContact CD1-CZ 4.14Å; V165-F183 PolarHBondContact O-N 3.22Å; A166-F183 CarbonylContact C-O 3.53Å; A166-F183 WeakPolarHBondContact CA-O 3.5Å; A166-F183 HydrophobicContact CB-CB 4.01Å; A166-F183 HydrophobicContact CB-CD2 4.27Å; C167-F183 PolarHBondContact N-O 3.23Å
184V96.5Very high88.5Confident15 Ų1552.7 Ų52.79%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-127.2132.1178.9179.20000109.6F9 R47 C167 V170 P181F9-V184 HydrophobicContact CB-CB 3.81Å; F9-V184 HydrophobicContact CB-CG1 3.74Å; F9-V184 WeakPolarHBondContact CB-O 3.23Å; F9-V184 HydrophobicContact CD1-CB 3.86Å; F9-V184 HydrophobicContact CD1-CG1 4.13Å; F9-V184 HydrophobicContact CD1-CG2 4.45Å; F9-V184 HydrophobicContact CG-CB 4.07Å; F9-V184 HydrophobicContact CG-CG1 3.93Å; R47-V184 PolarHBondContact NH2-O 3.05Å; C167-V184 CarbonylContact O-C 3.58Å; C167-V184 WeakPolarHBondContact O-CA 3.41Å; V170-V184 HydrophobicContact CB-CG1 4.21Å; V170-V184 HydrophobicContact CG2-CB 4.41Å; V170-V184 HydrophobicContact CG2-CG1 3.63Å; V170-V184 HydrophobicContact CG2-CG2 3.82Å; P181-V184 HydrophobicContact CB-CG2 3.91Å; P181-V184 HydrophobicContact CG-CG2 4.15Å
185G97.6Very high89.6Confident0 Ų043.3 Ų43.30%022%0.218CC..EExtended strand (participates in β ladder)trans-72.4-66.2172.300000110.9V10 R47 M51 C167 L168V10-G185 PolarHBondContact N-O 2.81Å; V10-G185 VanDerWaalsContact N-O 3.07Å; R47-G185 PolarHBondContact NE-O 2.73Å; R47-G185 VanDerWaalsContact NE-O 3.08Å; M51-G185 VanDerWaalsContact SD-CA 3.58Å; C167-G185 PolarHBondContact O-N 2.79Å; L168-G185 CarbonylContact O-C 3.57Å; L168-G185 WeakPolarHBondContact O-CA 3.47Å; L168-G185 PolarHBondContact O-N 2.8Å
186F97.4Very high91.2Very high0 Ų036 Ų360%018%0.178CC..EExtended strand (participates in β ladder)trans-135.4139.3-174-52.5-96.1000111.5V10 V39 M43 I44 R47 L168 L169 V170 V188V10-F186 HydrophobicContact CB-CD1 3.61Å; V10-F186 HydrophobicContact CB-CE1 3.93Å; V10-F186 HydrophobicContact CB-CG 4.5Å; V10-F186 HydrophobicContact CG1-CD1 3.9Å; V10-F186 HydrophobicContact CG1-CE1 4.17Å; V10-F186 HydrophobicContact CG2-CD1 4.36Å; V10-F186 HydrophobicContact CG2-CE1 4.21Å; V10-F186 CarbonylContact O-C 3.5Å; V10-F186 VanDerWaalsContact O-CA 3.23Å; V10-F186 WeakPolarHBondContact O-CA 3.35Å; V39-F186 HydrophobicContact CG1-CD1 4.13Å; V39-F186 HydrophobicContact CG1-CE1 3.59Å; V39-F186 HydrophobicContact CG1-CE2 4.07Å; V39-F186 HydrophobicContact CG1-CZ 3.57Å; V39-F186 HydrophobicContact CG2-CD1 4.09Å; V39-F186 HydrophobicContact CG2-CE1 4.39Å; V39-F186 HydrophobicContact CG2-CG 4.25Å; M43-F186 HydrophobicContact CE-CE1 4.01Å; M43-F186 HydrophobicContact CG-CE1 4.02Å; M43-F186 HydrophobicContact CG-CZ 4.24Å; M43-F186 HydrophobicContact SD-CE1 4.08Å; I44-F186 HydrophobicContact CG1-CE2 4.46Å; R47-F186 HydrophobicContact CB-CE1 4.35Å; R47-F186 HydrophobicContact CB-CE2 3.86Å; R47-F186 HydrophobicContact CB-CZ 3.48Å; R47-F186 VanDerWaalsContact CB-CZ 3.48Å; R47-F186 HydrophobicContact CG-CD2 4.5Å; R47-F186 HydrophobicContact CG-CE1 4.43Å; R47-F186 HydrophobicContact CG-CE2 3.81Å; R47-F186 HydrophobicContact CG-CZ 3.76Å; L168-F186 HydrophobicContact CD1-CD2 4Å; L168-F186 HydrophobicContact CD1-CE2 3.94Å; L168-F186 PolarHBondContact O-N 3.23Å; L169-F186 CarbonylContact C-O 3.59Å; L169-F186 WeakPolarHBondContact CA-O 3.31Å; L169-F186 HydrophobicContact CD2-CB 3.79Å; L169-F186 HydrophobicContact CD2-CD2 4.09Å; L169-F186 HydrophobicContact CD2-CG 4.29Å; V170-F186 PolarHBondContact N-O 2.95Å; F186-V188 HydrophobicContact CB-CG1 4.05Å
187E95.5Very high92.9Very high35 Ų3534.2 Ų34.216%0.16417%0.166CC..EExtended strand (participates in β ladder)trans-94.4123160.2-177.1177.863.900108F9 V10 V11 I12 V170 R172F9-E187 HydrophobicContact CD2-CB 3.61Å; F9-E187 HydrophobicContact CE2-CB 3.5Å; F9-E187 HydrophobicContact CE2-CG 4.24Å; V10-E187 PolarHBondContact O-N 3.34Å; V11-E187 HydrophobicContact CG2-CB 4.5Å; I12-E187 PolarHBondContact N-O 2.91Å; V170-E187 CarbonylContact O-C 3.59Å; V170-E187 WeakPolarHBondContact O-CA 3.3Å; R172-E187 HydrophobicContact CB-CG 4.46Å; R172-E187 IonicContact CZ-OE1 3.43Å; R172-E187 IonicContact NH1-OE1 3.85Å; R172-E187 PolarHBondContact NH1-OE1 3.05Å; R172-E187 IonicContact NH1-OE2 3.6Å; R172-E187 PolarHBondContact NH1-OE2 2.84Å; R172-E187 IonicContact NH2-OE1 3.73Å; R172-E187 PolarHBondContact NH2-OE1 2.8Å
188V95.9Very high94.4Very high0 Ų032.9 Ų32.90%016%0.156CC..EExtended strand (participates in β ladder)trans-119.6154.6-172.6-64.10000112.1I12 I38 L169 V170 K171 R172 F186I12-V188 HydrophobicContact CG1-CG1 4.32Å; I38-V188 HydrophobicContact CG2-CG1 4.21Å; L169-V188 HydrophobicContact CB-CG2 4.42Å; L169-V188 HydrophobicContact CD2-CG1 3.84Å; V170-V188 PolarHBondContact O-N 3Å; K171-V188 HydrophobicContact CG-CG2 4.11Å; R172-V188 PolarHBondContact N-O 3.21Å; F186-V188 HydrophobicContact CB-CG1 4.05Å
189P94.2Very high95.3Very high6 Ų625.9 Ų25.94%0.03913%0.125CC..  trans-58.5158.3174-24.935.8000112I12 D13 R191I12-P189 HydrophobicContact CG2-CG 4.33Å; D13-P189 VanDerWaalsContact O-CG 3.27Å; D13-P189 WeakPolarHBondContact O-CG 3.34Å; P189-R191 HydrophobicContact CB-CG 4.32Å; P189-R191 PolarHBondContact O-N 3.34Å
190N93.9Very high95.7Very high94 Ų9424 Ų2450%0.50312%0.117SC..SBendtrans-73.966.1175.4-173.826.9000112.8R172 K173R172-N190 WeakPolarHBondContact O-CB 3.21Å; K173-N190 WeakPolarHBondContact CE-OD1 3.31Å; K173-N190 HydrophobicContact CG-CB 4.26Å
191R93.9Very high95.9Very high53 Ų5317.9 Ų17.920%0.29%0.089CC..SBendtrans-107163.4171.5-61.2-176.9-168.4166.29.1109.9D14 F16 K171 P189 I193D14-R191 PolarHBondContact O-NH2 2.97Å; D14-R191 VanDerWaalsContact O-NH2 3.09Å; F16-R191 PolarHBondContact O-NH1 2.88Å; F16-R191 PolarHBondContact O-NH2 3.34Å; K171-R191 WeakPolarHBondContact CE-O 3.27Å; K171-R191 PolarHBondContact NZ-O 2.91Å; P189-R191 HydrophobicContact CB-CG 4.32Å; P189-R191 PolarHBondContact O-N 3.34Å; R191-I193 HydrophobicContact CB-CD1 4.25Å; R191-I193 PolarHBondContact O-N 2.87Å
192F95.1Very high95.9Very high44 Ų4421.8 Ų21.819%0.19311%0.109CC..  trans-78.4114.5171.3-164.1-73.8000108.6D113 V194 Y200 S212 I213D113-F192 HydrophobicContact CB-CD2 4.2Å; D113-F192 HydrophobicContact CB-CE2 3.92Å; F192-V194 HydrophobicContact CD1-CG1 4Å; F192-V194 HydrophobicContact CE1-CG1 3.81Å; F192-Y200 AromaticContact CE1-CD2 3.79Å; F192-Y200 HydrophobicContact CE1-CD2 3.79Å; F192-Y200 HydrophobicContact CE1-CG 4.06Å; F192-Y200 HydrophobicContact CE2-CD2 4.08Å; F192-Y200 HydrophobicContact CE2-CE2 4.48Å; F192-Y200 AromaticContact CZ-CD2 3.43Å; F192-Y200 HydrophobicContact CZ-CD2 3.43Å; F192-Y200 VanDerWaalsContact CZ-CD2 3.43Å; F192-Y200 HydrophobicContact CZ-CE2 4.24Å; F192-Y200 HydrophobicContact CZ-CG 4.17Å; F192-S212 VanDerWaalsContact O-CA 3.31Å; F192-S212 WeakPolarHBondContact O-CA 3.49Å; F192-I213 HydrophobicContact CB-CG1 4.21Å; F192-I213 HydrophobicContact CD1-CD1 3.54Å; F192-I213 HydrophobicContact CD1-CG1 3.81Å; F192-I213 HydrophobicContact CE1-CD1 4.03Å; F192-I213 HydrophobicContact CG-CD1 4.22Å; F192-I213 HydrophobicContact CG-CG1 4.28Å; F192-I213 PolarHBondContact O-N 3.08Å
193I96.6Very high95.8Very high4 Ų425 Ų252%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-101.7137.8-171.2-59.9-58.2000110.5I38 L169 R191 I198 I210 C211I38-I193 HydrophobicContact CG1-CD1 4.1Å; L169-I193 HydrophobicContact CD1-CG2 3.76Å; R191-I193 HydrophobicContact CB-CD1 4.25Å; R191-I193 PolarHBondContact O-N 2.87Å; I193-I198 HydrophobicContact CG2-CD1 4.01Å; I193-I198 WeakPolarHBondContact O-CG2 3.4Å; I193-I210 HydrophobicContact CG2-CG2 3.37Å; I193-C211 CarbonylContact C-O 3.54Å; I193-C211 VanDerWaalsContact CA-O 3.3Å; I193-C211 WeakPolarHBondContact CA-O 3.4Å
194V97.6Very high95.9Very high0 Ų024.7 Ų24.70%012%0.121CC..EExtended strand (participates in β ladder)trans-137.9174.3172.1-57.20000110.9I34 F192 F204 C211 I213I34-V194 HydrophobicContact CD1-CG2 4.34Å; F192-V194 HydrophobicContact CD1-CG1 4Å; F192-V194 HydrophobicContact CE1-CG1 3.81Å; V194-F204 HydrophobicContact CB-CB 3.65Å; V194-F204 HydrophobicContact CB-CD2 4.39Å; V194-F204 HydrophobicContact CB-CG 4.12Å; V194-F204 HydrophobicContact CG1-CB 4.22Å; V194-F204 HydrophobicContact CG1-CD2 4.05Å; V194-F204 HydrophobicContact CG1-CG 4.28Å; V194-F204 HydrophobicContact CG2-CB 3.7Å; V194-F204 HydrophobicContact CG2-CD1 4.26Å; V194-F204 HydrophobicContact CG2-CD2 4.47Å; V194-F204 HydrophobicContact CG2-CG 3.92Å; V194-C211 HydrophobicContact CG2-CB 4.2Å; V194-C211 PolarHBondContact N-O 3.37Å; V194-C211 PolarHBondContact O-N 2.99Å; V194-I213 HydrophobicContact CB-CG2 4.19Å; V194-I213 HydrophobicContact CG1-CD1 4.27Å; V194-I213 HydrophobicContact CG1-CG2 3.75Å; V194-I213 HydrophobicContact CG2-CG2 3.35Å
195G97.8Very high95.8Very high0 Ų026.3 Ų26.30%013%0.125CC..BIsolated β-bridgetrans85.9168.517800000112.2A197 I198 F204 H209G195-A197 VanDerWaalsContact C-N 3.27Å; G195-A197 PolarHBondContact O-N 3.07Å; G195-I198 PolarHBondContact N-O 2.74Å; G195-I198 VanDerWaalsContact O-CB 3.27Å; G195-I198 WeakPolarHBondContact O-CB 3.48Å; G195-I198 WeakPolarHBondContact O-CG1 3.27Å; G195-I198 PolarHBondContact O-N 3.35Å; G195-F204 WeakPolarHBondContact CA-O 3.36Å; G195-H209 CarbonylContact C-O 3.51Å; G195-H209 VanDerWaalsContact CA-O 3.27Å; G195-H209 WeakPolarHBondContact CA-O 3.47Å
196Y98.2Very high95.7Very high5 Ų530.7 Ų30.72%0.0215%0.149CC..THydrogen-bonded Turntrans50.150.1-170.3-162.7-104.7000111.5I44 L48 K78 F79 D82 L168 I198 I207 H209I44-Y196 HydrophobicContact CD1-CD1 4.38Å; I44-Y196 HydrophobicContact CD1-CD2 3.91Å; I44-Y196 HydrophobicContact CD1-CE2 4.35Å; I44-Y196 HydrophobicContact CD1-CG 3.92Å; I44-Y196 HydrophobicContact CG2-CD1 4.44Å; I44-Y196 HydrophobicContact CG2-CE1 3.86Å; I44-Y196 HydrophobicContact CG2-CE2 4.08Å; L48-Y196 WeakPolarHBondContact CD1-OH 3.46Å; K78-Y196 HydrophobicContact CB-CE1 4.48Å; K78-Y196 HydrophobicContact CG-CD2 4.01Å; K78-Y196 HydrophobicContact CG-CE1 4.29Å; K78-Y196 HydrophobicContact CG-CE2 3.69Å; K78-Y196 HydrophobicContact CG-CG 4.41Å; F79-Y196 HydrophobicContact CB-CE1 4.03Å; D82-Y196 WeakPolarHBondContact CB-OH 3.35Å; D82-Y196 VanDerWaalsContact CG-OH 3.32Å; D82-Y196 WeakPolarHBondContact OD2-CE2 3.48Å; D82-Y196 PolarHBondContact OD2-OH 3.36Å; L168-Y196 HydrophobicContact CD2-CD1 3.41Å; L168-Y196 VanDerWaalsContact CD2-CD1 3.41Å; L168-Y196 HydrophobicContact CD2-CE1 3.59Å; Y196-I198 VanDerWaalsContact C-N 3.27Å; Y196-I198 PolarHBondContact O-N 2.91Å; Y196-I207 PolarHBondContact N-O 3.02Å; Y196-H209 PolarHBondContact N-O 3.07Å
197A97.6Very high95.7Very high1 Ų131 Ų311%0.00815%0.15CC..THydrogen-bonded Turntrans73.2-11.6-173.100000118G75 F77 K78 G195 R205G75-A197 WeakPolarHBondContact CA-O 3.49Å; G75-A197 VanDerWaalsContact O-CB 3.27Å; G75-A197 WeakPolarHBondContact O-CB 3.36Å; F77-A197 HydrophobicContact CD1-CB 3.45Å; F77-A197 VanDerWaalsContact CD1-CB 3.45Å; F77-A197 HydrophobicContact CE1-CB 3.2Å; F77-A197 HydrophobicContact CG-CB 4.49Å; F77-A197 HydrophobicContact CZ-CB 4.07Å; K78-A197 HydrophobicContact CB-CB 3.64Å; G195-A197 VanDerWaalsContact C-N 3.27Å; G195-A197 PolarHBondContact O-N 3.07Å; A197-R205 WeakPolarHBondContact CA-O 3.48Å; A197-R205 PolarHBondContact N-O 3.4Å; A197-R205 WeakPolarHBondContact O-CG 3.27Å; A197-R205 PolarHBondContact O-NH1 3.24Å
198I96.9Very high95.8Very high8 Ų831.8 Ų31.84%0.04116%0.159CC..BIsolated β-bridgetrans-72.9138171.8-49.9173.2000108.8D140 L169 I193 G195 Y196D140-I198 HydrophobicContact CB-CD1 4.34Å; D140-I198 HydrophobicContact CB-CG1 3.99Å; D140-I198 WeakPolarHBondContact OD2-CG1 3.38Å; L169-I198 HydrophobicContact CD1-CD1 3.57Å; I193-I198 HydrophobicContact CG2-CD1 4.01Å; I193-I198 WeakPolarHBondContact O-CG2 3.4Å; G195-I198 PolarHBondContact N-O 2.74Å; G195-I198 VanDerWaalsContact O-CB 3.27Å; G195-I198 WeakPolarHBondContact O-CB 3.48Å; G195-I198 WeakPolarHBondContact O-CG1 3.27Å; G195-I198 PolarHBondContact O-N 3.35Å; Y196-I198 VanDerWaalsContact C-N 3.27Å; Y196-I198 PolarHBondContact O-N 2.91Å
199D95.4Very high95.9Very high46 Ų4632.6 Ų32.625%0.24616%0.163CC..  trans-118.7170.2-174.271.2-66.5000115.2N201 D202 F203 R205D199-N201 PolarHBondContact OD2-N 3.16Å; D199-D202 WeakPolarHBondContact OD2-CA 3.22Å; D199-D202 PolarHBondContact OD2-N 2.77Å; D199-F203 WeakPolarHBondContact CA-O 3.42Å; D199-F203 VanDerWaalsContact CB-O 3.22Å; D199-F203 WeakPolarHBondContact CB-O 3.46Å; D199-R205 HydrophobicContact CB-CG 3.69Å; D199-R205 VanDerWaalsContact CG-NH1 3.34Å; D199-R205 IonicContact OD1-CZ 2.68Å; D199-R205 IonicContact OD1-NH1 3.18Å; D199-R205 PolarHBondContact OD1-NH1 3.33Å; D199-R205 IonicContact OD1-NH2 3.75Å; D199-R205 PolarHBondContact OD1-NH2 3.05Å; D199-R205 IonicContact OD2-CZ 3.6Å; D199-R205 IonicContact OD2-NH2 2.9Å; D199-R205 PolarHBondContact OD2-NH2 3.24Å; D199-R205 VanDerWaalsContact OD2-NH2 3.08Å
200Y94.7Very high96.1Very high8 Ų832.3 Ų32.33%0.03116%0.161CC..BIsolated β-bridgetrans-125.4112150.8179.1-121000107.4F192 D202 F203 F204 I213 K218 F221F192-Y200 AromaticContact CE1-CD2 3.79Å; F192-Y200 HydrophobicContact CE1-CD2 3.79Å; F192-Y200 HydrophobicContact CE1-CG 4.06Å; F192-Y200 HydrophobicContact CE2-CD2 4.08Å; F192-Y200 HydrophobicContact CE2-CE2 4.48Å; F192-Y200 AromaticContact CZ-CD2 3.43Å; F192-Y200 HydrophobicContact CZ-CD2 3.43Å; F192-Y200 VanDerWaalsContact CZ-CD2 3.43Å; F192-Y200 HydrophobicContact CZ-CE2 4.24Å; F192-Y200 HydrophobicContact CZ-CG 4.17Å; Y200-D202 PolarHBondContact O-N 3.17Å; Y200-F203 PolarHBondContact N-O 3.12Å; Y200-F203 WeakPolarHBondContact O-CB 3.39Å; Y200-F203 PolarHBondContact O-N 2.68Å; Y200-F204 HydrophobicContact CD1-CE2 4.28Å; Y200-I213 HydrophobicContact CD1-CD1 4.07Å; Y200-I213 HydrophobicContact CG-CD1 4.02Å; Y200-K218 WeakPolarHBondContact CE1-O 3.4Å; Y200-K218 PolarHBondContact OH-O 2.72Å; Y200-F221 HydrophobicContact CD1-CB 3.62Å; Y200-F221 HydrophobicContact CE1-CB 3.71Å
201N92.6Very high96.3Very high22 Ų2227.9 Ų27.912%0.11814%0.137CC..THydrogen-bonded Turntrans5050.7-179-63.7-29.2000113.6N112 D199 F203 F221 A222 I223N112-N201 WeakPolarHBondContact CA-OD1 3.48Å; N112-N201 PolarHBondContact N-OD1 3.26Å; N112-N201 VanDerWaalsContact N-OD1 3.16Å; N112-N201 PolarHBondContact OD1-ND2 3Å; D199-N201 PolarHBondContact OD2-N 3.16Å; N201-F203 HydrophobicContact CB-CD2 4.46Å; N201-F203 WeakPolarHBondContact O-CD2 3.27Å; N201-F203 WeakPolarHBondContact O-CE2 3.33Å; N201-F203 PolarHBondContact O-N 3.28Å; N201-F221 WeakPolarHBondContact CB-O 3.41Å; N201-F221 PolarHBondContact ND2-O 3.35Å; N201-A222 WeakPolarHBondContact ND2-CA 3.48Å; N201-I223 HydrophobicContact CB-CD1 4.07Å; N201-I223 HydrophobicContact CB-CG1 3.98Å; N201-I223 PolarHBondContact ND2-N 3.33Å
202D93Very high96.5Very high93 Ų9325.3 Ų25.350%0.49713%0.127SC..THydrogen-bonded Turntrans66.10.4-175.8-77.7-42.7000116.5K74 D199 Y200 R205K74-D202 IonicContact NZ-OD1 3Å; K74-D202 PolarHBondContact NZ-OD1 3.08Å; K74-D202 IonicContact NZ-OD2 3.38Å; K74-D202 PolarHBondContact NZ-OD2 3.38Å; D199-D202 WeakPolarHBondContact OD2-CA 3.22Å; D199-D202 PolarHBondContact OD2-N 2.77Å; Y200-D202 PolarHBondContact O-N 3.17Å; D202-R205 IonicContact OD1-CZ 2.64Å; D202-R205 IonicContact OD1-NE 3.4Å; D202-R205 PolarHBondContact OD1-NE 2.9Å; D202-R205 IonicContact OD1-NH2 3.25Å; D202-R205 PolarHBondContact OD1-NH2 2.98Å
203F95.6Very high96.6Very high84 Ų8423.5 Ų23.537%0.36812%0.12SC..BIsolated β-bridgetrans-86.4166.2171.9-61.8-87.8000112.6D199 Y200 N201 R205 F221D199-F203 WeakPolarHBondContact CA-O 3.42Å; D199-F203 VanDerWaalsContact CB-O 3.22Å; D199-F203 WeakPolarHBondContact CB-O 3.46Å; Y200-F203 PolarHBondContact N-O 3.12Å; Y200-F203 WeakPolarHBondContact O-CB 3.39Å; Y200-F203 PolarHBondContact O-N 2.68Å; N201-F203 HydrophobicContact CB-CD2 4.46Å; N201-F203 WeakPolarHBondContact O-CD2 3.27Å; N201-F203 WeakPolarHBondContact O-CE2 3.33Å; N201-F203 PolarHBondContact O-N 3.28Å; F203-R205 PolarHBondContact O-N 3Å; F203-R205 VanDerWaalsContact O-N 3.1Å; F203-F221 HydrophobicContact CB-CD1 4.09Å; F203-F221 HydrophobicContact CB-CE1 4.45Å; F203-F221 HydrophobicContact CB-CG 4.43Å; F203-F221 AromaticContact CD1-CD1 3.47Å; F203-F221 HydrophobicContact CD1-CD1 3.47Å; F203-F221 VanDerWaalsContact CD1-CD1 3.47Å; F203-F221 AromaticContact CD1-CE1 3.5Å; F203-F221 HydrophobicContact CD1-CE1 3.5Å; F203-F221 HydrophobicContact CD2-CB 3.87Å; F203-F221 AromaticContact CD2-CD1 3.45Å; F203-F221 HydrophobicContact CD2-CD1 3.45Å; F203-F221 VanDerWaalsContact CD2-CD1 3.45Å; F203-F221 HydrophobicContact CD2-CE1 4.34Å; F203-F221 AromaticContact CD2-CG 3.99Å; F203-F221 HydrophobicContact CD2-CG 3.99Å; F203-F221 AromaticContact CE1-CD1 3.65Å; F203-F221 HydrophobicContact CE1-CD1 3.65Å; F203-F221 AromaticContact CE1-CE1 3.73Å; F203-F221 HydrophobicContact CE1-CE1 3.73Å; F203-F221 HydrophobicContact CE2-CB 4.27Å; F203-F221 AromaticContact CE2-CD1 3.65Å; F203-F221 HydrophobicContact CE2-CD1 3.65Å; F203-F221 HydrophobicContact CE2-CG 4.42Å; F203-F221 HydrophobicContact CG-CB 4.4Å; F203-F221 AromaticContact CG-CD1 3.37Å; F203-F221 HydrophobicContact CG-CD1 3.37Å; F203-F221 AromaticContact CG-CE1 3.84Å; F203-F221 HydrophobicContact CG-CE1 3.84Å; F203-F221 HydrophobicContact CG-CG 4.07Å; F203-F221 AromaticContact CZ-CD1 3.75Å; F203-F221 HydrophobicContact CZ-CD1 3.75Å; F203-F221 HydrophobicContact CZ-CE1 4.26Å
204F97.2Very high96.6Very high0 Ų025.4 Ų25.40%013%0.13CC..SBendtrans70.3-6.8172.1-49.3-79.8000117.3Y30 I34 V194 G195 Y200 D206 I207 I213 A217 F221Y30-F204 AromaticContact CD1-CD1 3.43Å; Y30-F204 HydrophobicContact CD1-CD1 3.43Å; Y30-F204 VanDerWaalsContact CD1-CD1 3.43Å; Y30-F204 AromaticContact CD1-CE1 3.34Å; Y30-F204 HydrophobicContact CD1-CE1 3.34Å; Y30-F204 HydrophobicContact CD1-CG 4.45Å; Y30-F204 HydrophobicContact CD1-CZ 4.31Å; Y30-F204 HydrophobicContact CD2-CD1 4.33Å; Y30-F204 AromaticContact CE1-CD1 3.73Å; Y30-F204 HydrophobicContact CE1-CD1 3.73Å; Y30-F204 AromaticContact CE1-CE1 3.85Å; Y30-F204 HydrophobicContact CE1-CE1 3.85Å; Y30-F204 HydrophobicContact CE1-CG 4.36Å; Y30-F204 AromaticContact CG-CD1 3.77Å; Y30-F204 HydrophobicContact CG-CD1 3.77Å; Y30-F204 AromaticContact CG-CE1 3.97Å; Y30-F204 HydrophobicContact CG-CE1 3.97Å; I34-F204 HydrophobicContact CD1-CD1 4.37Å; I34-F204 HydrophobicContact CD1-CE1 4.48Å; V194-F204 HydrophobicContact CB-CB 3.65Å; V194-F204 HydrophobicContact CB-CD2 4.39Å; V194-F204 HydrophobicContact CB-CG 4.12Å; V194-F204 HydrophobicContact CG1-CB 4.22Å; V194-F204 HydrophobicContact CG1-CD2 4.05Å; V194-F204 HydrophobicContact CG1-CG 4.28Å; V194-F204 HydrophobicContact CG2-CB 3.7Å; V194-F204 HydrophobicContact CG2-CD1 4.26Å; V194-F204 HydrophobicContact CG2-CD2 4.47Å; V194-F204 HydrophobicContact CG2-CG 3.92Å; G195-F204 WeakPolarHBondContact CA-O 3.36Å; Y200-F204 HydrophobicContact CD1-CE2 4.28Å; F204-D206 PolarHBondContact O-N 3.43Å; F204-I207 HydrophobicContact CB-CD1 4.16Å; F204-I207 HydrophobicContact CD1-CD1 3.85Å; F204-I207 WeakPolarHBondContact O-CB 3.49Å; F204-I207 PolarHBondContact O-N 3.24Å; F204-I213 HydrophobicContact CE1-CG2 4.43Å; F204-I213 HydrophobicContact CZ-CG2 4.36Å; F204-A217 HydrophobicContact CZ-CB 4.18Å; F204-F221 HydrophobicContact CE1-CE2 4.16Å; F204-F221 HydrophobicContact CE2-CB 4.5Å; F204-F221 AromaticContact CE2-CD2 3.72Å; F204-F221 HydrophobicContact CE2-CD2 3.72Å; F204-F221 HydrophobicContact CE2-CE2 4.12Å; F204-F221 HydrophobicContact CE2-CG 4.1Å; F204-F221 AromaticContact CZ-CD2 3.41Å; F204-F221 HydrophobicContact CZ-CD2 3.41Å; F204-F221 VanDerWaalsContact CZ-CD2 3.41Å; F204-F221 AromaticContact CZ-CE2 3.4Å; F204-F221 HydrophobicContact CZ-CE2 3.4Å; F204-F221 HydrophobicContact CZ-CG 4.21Å; F204-F221 HydrophobicContact CZ-CZ 4.14Å
205R96.2Very high96.6Very high49 Ų4930.5 Ų30.519%0.18516%0.157CC..THydrogen-bonded Turntrans-54.3-30.6179.4-62.2-163.6-170.4-76.8-1.5113.9A197 D199 D202 F203 I207A197-R205 WeakPolarHBondContact CA-O 3.48Å; A197-R205 PolarHBondContact N-O 3.4Å; A197-R205 WeakPolarHBondContact O-CG 3.27Å; A197-R205 PolarHBondContact O-NH1 3.24Å; D199-R205 HydrophobicContact CB-CG 3.69Å; D199-R205 VanDerWaalsContact CG-NH1 3.34Å; D199-R205 IonicContact OD1-CZ 2.68Å; D199-R205 IonicContact OD1-NH1 3.18Å; D199-R205 PolarHBondContact OD1-NH1 3.33Å; D199-R205 IonicContact OD1-NH2 3.75Å; D199-R205 PolarHBondContact OD1-NH2 3.05Å; D199-R205 IonicContact OD2-CZ 3.6Å; D199-R205 IonicContact OD2-NH2 2.9Å; D199-R205 PolarHBondContact OD2-NH2 3.24Å; D199-R205 VanDerWaalsContact OD2-NH2 3.08Å; D202-R205 IonicContact OD1-CZ 2.64Å; D202-R205 IonicContact OD1-NE 3.4Å; D202-R205 PolarHBondContact OD1-NE 2.9Å; D202-R205 IonicContact OD1-NH2 3.25Å; D202-R205 PolarHBondContact OD1-NH2 2.98Å; F203-R205 PolarHBondContact O-N 3Å; F203-R205 VanDerWaalsContact O-N 3.1Å; R205-I207 VanDerWaalsContact C-N 3.32Å
206D95.6Very high96.5Very high93 Ų9335.3 Ų35.350%0.49718%0.179SC..THydrogen-bonded Turntrans-80.1-5.7-178.256.6-39.5000114.3K29 Y30 F204K29-D206 WeakPolarHBondContact CE-OD2 3.17Å; K29-D206 IonicContact NZ-OD1 3.86Å; K29-D206 IonicContact NZ-OD2 2.8Å; K29-D206 PolarHBondContact NZ-OD2 2.83Å; Y30-D206 WeakPolarHBondContact CE2-OD1 3.41Å; Y30-D206 PolarHBondContact OH-OD1 3.1Å; F204-D206 PolarHBondContact O-N 3.43Å
207I97Very high96.5Very high5 Ų535 Ų353%0.02618%0.178CC..  trans-71128.4172.1-67180000109.2L26 Y30 I34 Y196 F204 R205 H209L26-I207 HydrophobicContact CD2-CG1 4.45Å; L26-I207 HydrophobicContact CD2-CG2 3.57Å; Y30-I207 HydrophobicContact CD2-CD1 3.73Å; Y30-I207 HydrophobicContact CD2-CG1 3.66Å; Y30-I207 HydrophobicContact CE2-CG1 4.2Å; Y30-I207 HydrophobicContact CG-CD1 3.98Å; Y30-I207 HydrophobicContact CG-CG1 4.41Å; I34-I207 HydrophobicContact CD1-CD1 3.67Å; I34-I207 HydrophobicContact CG1-CD1 4.25Å; Y196-I207 PolarHBondContact N-O 3.02Å; F204-I207 HydrophobicContact CB-CD1 4.16Å; F204-I207 HydrophobicContact CD1-CD1 3.85Å; F204-I207 WeakPolarHBondContact O-CB 3.49Å; F204-I207 PolarHBondContact O-N 3.24Å; R205-I207 VanDerWaalsContact C-N 3.32Å; I207-H209 VanDerWaalsContact C-N 3.27Å; I207-H209 HydrophobicContact CG2-CB 4.26Å; I207-H209 WeakPolarHBondContact CG2-O 3.14Å; I207-H209 PolarHBondContact O-N 3.28Å
208P96.8Very high96.4Very high53 Ų5337.8 Ų37.834%0.34419%0.19SC..SBendtrans-76.5-13.5-176.829.9-36.2000113.9N41N41-P208 HydrophobicContact CB-CB 4.31Å; N41-P208 WeakPolarHBondContact CB-O 3.31Å; N41-P208 PolarHBondContact ND2-O 2.58Å
209H97.9Very high96.3Very high17 Ų1744.6 Ų44.68%0.07922%0.22CC..SBendtrans-102.9161-178-51.7-38.4000110.8F24 I37 N41 G195 Y196 I207F24-H209 AromaticContact CD1-CE1 3.92Å; F24-H209 AromaticContact CD1-NE2 3.52Å; F24-H209 AromaticContact CG-NE2 3.95Å; I37-H209 HydrophobicContact CG1-CB 4.47Å; I37-H209 HydrophobicContact CG2-CB 3.86Å; N41-H209 WeakPolarHBondContact CB-ND1 3.41Å; N41-H209 PolarHBondContact N-ND1 2.73Å; G195-H209 CarbonylContact C-O 3.51Å; G195-H209 VanDerWaalsContact CA-O 3.27Å; G195-H209 WeakPolarHBondContact CA-O 3.47Å; Y196-H209 PolarHBondContact N-O 3.07Å; I207-H209 VanDerWaalsContact C-N 3.27Å; I207-H209 HydrophobicContact CG2-CB 4.26Å; I207-H209 WeakPolarHBondContact CG2-O 3.14Å; I207-H209 PolarHBondContact O-N 3.28Å
210I98.4Very high96.3Very high0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans-89119.6165.9-65.1168.5000106.8I38 V39 I44 L168 L169 I193I38-I210 HydrophobicContact CB-CG2 4.44Å; I38-I210 PolarHBondContact N-O 2.7Å; V39-I210 HydrophobicContact CB-CB 3.97Å; V39-I210 HydrophobicContact CB-CD1 4.09Å; V39-I210 HydrophobicContact CB-CG1 4.45Å; V39-I210 HydrophobicContact CG2-CB 4.27Å; V39-I210 HydrophobicContact CG2-CD1 4.25Å; V39-I210 HydrophobicContact CG2-CG2 4.45Å; V39-I210 PolarHBondContact N-O 3.3Å; V39-I210 PolarHBondContact O-N 3.17Å; I44-I210 HydrophobicContact CD1-CD1 3.69Å; I44-I210 HydrophobicContact CD1-CG1 3.71Å; I44-I210 HydrophobicContact CG1-CD1 4.05Å; L168-I210 HydrophobicContact CD2-CD1 3.8Å; L168-I210 HydrophobicContact CG-CD1 4.26Å; L169-I210 HydrophobicContact CD1-CD1 4.02Å; L169-I210 HydrophobicContact CD1-CG2 3.83Å; L169-I210 HydrophobicContact CD2-CD1 3.68Å; L169-I210 HydrophobicContact CG-CD1 4.11Å; I193-I210 HydrophobicContact CG2-CG2 3.37Å
211C98.2Very high96.2Very high0 Ų046.2 Ų46.20%023%0.23CC..EExtended strand (participates in β ladder)trans-124156.8-173.5-61.50000111.5I34 S36 I193 V194I34-C211 HydrophobicContact CD1-CB 4Å; I34-C211 HydrophobicContact CG2-CB 4.03Å; S36-C211 CarbonylContact O-C 3.38Å; S36-C211 VanDerWaalsContact O-CA 3.27Å; S36-C211 WeakPolarHBondContact O-CA 3.31Å; S36-C211 WeakPolarHBondContact O-CB 3.46Å; I193-C211 CarbonylContact C-O 3.54Å; I193-C211 VanDerWaalsContact CA-O 3.3Å; I193-C211 WeakPolarHBondContact CA-O 3.4Å; V194-C211 HydrophobicContact CG2-CB 4.2Å; V194-C211 PolarHBondContact N-O 3.37Å; V194-C211 PolarHBondContact O-N 2.99Å
212S97.6Very high96.3Very high0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-95.1148.1158.268.30000111E35 S36 F192E35-S212 WeakPolarHBondContact CB-OG 3.38Å; E35-S212 PolarHBondContact N-O 2.81Å; E35-S212 WeakPolarHBondContact OE2-CB 3.27Å; E35-S212 PolarHBondContact OE2-OG 2.92Å; S36-S212 PolarHBondContact O-N 2.88Å; S36-S212 PolarHBondContact OG-OG 2.83Å; F192-S212 VanDerWaalsContact O-CA 3.31Å; F192-S212 WeakPolarHBondContact O-CA 3.49Å
213I97.5Very high95.9Very high6 Ų646.1 Ų46.13%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-105.6147.9175.866.4177.2000111.5Y33 I34 F192 V194 Y200 F204 A217 K218Y33-I213 WeakPolarHBondContact O-CA 3.07Å; I34-I213 HydrophobicContact CD1-CG2 4.22Å; F192-I213 HydrophobicContact CB-CG1 4.21Å; F192-I213 HydrophobicContact CD1-CD1 3.54Å; F192-I213 HydrophobicContact CD1-CG1 3.81Å; F192-I213 HydrophobicContact CE1-CD1 4.03Å; F192-I213 HydrophobicContact CG-CD1 4.22Å; F192-I213 HydrophobicContact CG-CG1 4.28Å; F192-I213 PolarHBondContact O-N 3.08Å; V194-I213 HydrophobicContact CB-CG2 4.19Å; V194-I213 HydrophobicContact CG1-CD1 4.27Å; V194-I213 HydrophobicContact CG1-CG2 3.75Å; V194-I213 HydrophobicContact CG2-CG2 3.35Å; Y200-I213 HydrophobicContact CD1-CD1 4.07Å; Y200-I213 HydrophobicContact CG-CD1 4.02Å; F204-I213 HydrophobicContact CE1-CG2 4.43Å; F204-I213 HydrophobicContact CZ-CG2 4.36Å; I213-A217 HydrophobicContact CB-CB 3.69Å; I213-A217 HydrophobicContact CD1-CB 4.01Å; I213-A217 HydrophobicContact CG1-CB 4.16Å; I213-A217 HydrophobicContact CG2-CB 4.38Å; I213-K218 HydrophobicContact CD1-CG 3.99Å; I213-K218 HydrophobicContact CG1-CG 4.34Å
214N97Very high95Very high43 Ų4344.1 Ų44.123%0.2323%0.231CC..  trans-81.1173.117664.828.6000112.4P32 Y33 E35 E216 A217 K218P32-N214 PolarHBondContact O-ND2 3.29Å; Y33-N214 PolarHBondContact O-N 3.32Å; Y33-N214 PolarHBondContact O-OD1 2.96Å; E35-N214 HydrophobicContact CB-CB 4.23Å; N214-E216 PolarHBondContact O-N 3.14Å; N214-E216 WeakPolarHBondContact OD1-CB 3.47Å; N214-E216 PolarHBondContact OD1-N 3.35Å; N214-A217 VanDerWaalsContact O-CB 3.27Å; N214-A217 WeakPolarHBondContact O-CB 3.39Å; N214-A217 PolarHBondContact O-N 3.36Å; N214-A217 PolarHBondContact OD1-N 3.18Å; N214-K218 PolarHBondContact O-N 2.87Å
215D96.6Very high93.3Very high108 Ų10854.1 Ų54.158%0.57828%0.275SS*.Hα-helixtrans-66.1-26.4-179.7-72.1-24000113.5K218 K219D215-K218 PolarHBondContact O-N 3.03Å; D215-K218 IonicContact OD1-NZ 3.42Å; D215-K219 WeakPolarHBondContact O-CG 3.3Å; D215-K219 PolarHBondContact O-N 3.4Å; D215-K219 VanDerWaalsContact O-N 3.14Å
216E96.9Very high91.5Very high100 Ų10056.4 Ų56.447%0.46730%0.299SS..Hα-helixtrans-65.8-44.1175.1-173.158-15800110.3Y33 N214 K218 K219 T220Y33-E216 HydrophobicContact CD1-CG 4.32Å; Y33-E216 HydrophobicContact CE1-CG 4.08Å; N214-E216 PolarHBondContact O-N 3.14Å; N214-E216 WeakPolarHBondContact OD1-CB 3.47Å; N214-E216 PolarHBondContact OD1-N 3.35Å; E216-K218 VanDerWaalsContact C-N 3.29Å; E216-K218 PolarHBondContact O-N 3.32Å; E216-K219 PolarHBondContact O-N 3.31Å; E216-K219 VanDerWaalsContact O-N 3.08Å; E216-T220 WeakPolarHBondContact O-CB 3.48Å; E216-T220 PolarHBondContact O-N 3.19Å; E216-T220 PolarHBondContact O-OG1 2.9Å; E216-T220 PolarHBondContact OE1-OG1 3.21Å
217A96.9Very high89.5Confident0 Ų058 Ų580%031%0.307CS..Hα-helixtrans-54.2-46.9173.100000111.8Y33 F204 I213 N214 K219 T220 F221Y33-A217 HydrophobicContact CD1-CB 4.08Å; Y33-A217 HydrophobicContact CG-CB 4.19Å; F204-A217 HydrophobicContact CZ-CB 4.18Å; I213-A217 HydrophobicContact CB-CB 3.69Å; I213-A217 HydrophobicContact CD1-CB 4.01Å; I213-A217 HydrophobicContact CG1-CB 4.16Å; I213-A217 HydrophobicContact CG2-CB 4.38Å; N214-A217 VanDerWaalsContact O-CB 3.27Å; N214-A217 WeakPolarHBondContact O-CB 3.39Å; N214-A217 PolarHBondContact O-N 3.36Å; N214-A217 PolarHBondContact OD1-N 3.18Å; A217-K219 VanDerWaalsContact C-N 3.27Å; A217-K219 PolarHBondContact O-N 2.84Å; A217-T220 PolarHBondContact O-N 3.22Å; A217-F221 HydrophobicContact CB-CD2 4.46Å; A217-F221 VanDerWaalsContact O-CD2 3.27Å; A217-F221 WeakPolarHBondContact O-CD2 3.19Å; A217-F221 PolarHBondContact O-N 2.8Å
218K95.4Very high86.9Confident59 Ų5967 Ų6726%0.25735%0.346SS..Hα-helixtrans-59.1-40.1179-68.8-179.4-175.7168.20111.8Y200 I213 N214 D215 E216 A222Y200-K218 WeakPolarHBondContact CE1-O 3.4Å; Y200-K218 PolarHBondContact OH-O 2.72Å; I213-K218 HydrophobicContact CD1-CG 3.99Å; I213-K218 HydrophobicContact CG1-CG 4.34Å; N214-K218 PolarHBondContact O-N 2.87Å; D215-K218 PolarHBondContact O-N 3.03Å; D215-K218 IonicContact OD1-NZ 3.42Å; E216-K218 VanDerWaalsContact C-N 3.29Å; E216-K218 PolarHBondContact O-N 3.32Å; K218-A222 VanDerWaalsContact O-CB 3.31Å; K218-A222 WeakPolarHBondContact O-CB 3.45Å; K218-A222 PolarHBondContact O-N 3.43Å
219K94.9Very high86.4Confident151 Ų15167.7 Ų67.766%0.65735%0.346SS*.Hα-helixtrans-71-49.2176.9-67.1170.2-171.1169.10112.2D215 E216 A217 F221D215-K219 WeakPolarHBondContact O-CG 3.3Å; D215-K219 PolarHBondContact O-N 3.4Å; D215-K219 VanDerWaalsContact O-N 3.14Å; E216-K219 PolarHBondContact O-N 3.31Å; E216-K219 VanDerWaalsContact O-N 3.08Å; A217-K219 VanDerWaalsContact C-N 3.27Å; A217-K219 PolarHBondContact O-N 2.84Å; K219-F221 VanDerWaalsContact C-N 3.32Å; K219-F221 PolarHBondContact O-N 3.46Å
220T95.4Very high85.8Confident61 Ų6170.4 Ų70.437%0.37436%0.36SS..Hα-helixtrans-63.1-38.5-174.1-53.20000112.3Y33 E216 A217Y33-T220 HydrophobicContact CE1-CG2 4.17Å; Y33-T220 WeakPolarHBondContact CE1-OG1 3.37Å; E216-T220 WeakPolarHBondContact O-CB 3.48Å; E216-T220 PolarHBondContact O-N 3.19Å; E216-T220 PolarHBondContact O-OG1 2.9Å; E216-T220 PolarHBondContact OE1-OG1 3.21Å; A217-T220 PolarHBondContact O-N 3.22Å
221F94.4Very high85.1Confident27 Ų2774.3 Ų74.312%0.11838%0.38CS..THydrogen-bonded Turntrans-106.39.6-173.5-59.9-75.7000113.3Y30 Y33 Y200 N201 F203 F204 A217 K219Y30-F221 HydrophobicContact CE1-CZ 4.45Å; Y33-F221 HydrophobicContact CD1-CE2 4.05Å; Y33-F221 AromaticContact CD2-CE2 3.59Å; Y33-F221 HydrophobicContact CD2-CE2 3.59Å; Y33-F221 AromaticContact CD2-CZ 3.9Å; Y33-F221 HydrophobicContact CD2-CZ 3.9Å; Y33-F221 HydrophobicContact CE1-CE2 4.16Å; Y33-F221 AromaticContact CE2-CE2 3.73Å; Y33-F221 HydrophobicContact CE2-CE2 3.73Å; Y33-F221 AromaticContact CE2-CZ 3.73Å; Y33-F221 HydrophobicContact CE2-CZ 3.73Å; Y33-F221 AromaticContact CG-CE2 3.77Å; Y33-F221 HydrophobicContact CG-CE2 3.77Å; Y200-F221 HydrophobicContact CD1-CB 3.62Å; Y200-F221 HydrophobicContact CE1-CB 3.71Å; N201-F221 WeakPolarHBondContact CB-O 3.41Å; N201-F221 PolarHBondContact ND2-O 3.35Å; F203-F221 HydrophobicContact CB-CD1 4.09Å; F203-F221 HydrophobicContact CB-CE1 4.45Å; F203-F221 HydrophobicContact CB-CG 4.43Å; F203-F221 AromaticContact CD1-CD1 3.47Å; F203-F221 HydrophobicContact CD1-CD1 3.47Å; F203-F221 VanDerWaalsContact CD1-CD1 3.47Å; F203-F221 AromaticContact CD1-CE1 3.5Å; F203-F221 HydrophobicContact CD1-CE1 3.5Å; F203-F221 HydrophobicContact CD2-CB 3.87Å; F203-F221 AromaticContact CD2-CD1 3.45Å; F203-F221 HydrophobicContact CD2-CD1 3.45Å; F203-F221 VanDerWaalsContact CD2-CD1 3.45Å; F203-F221 HydrophobicContact CD2-CE1 4.34Å; F203-F221 AromaticContact CD2-CG 3.99Å; F203-F221 HydrophobicContact CD2-CG 3.99Å; F203-F221 AromaticContact CE1-CD1 3.65Å; F203-F221 HydrophobicContact CE1-CD1 3.65Å; F203-F221 AromaticContact CE1-CE1 3.73Å; F203-F221 HydrophobicContact CE1-CE1 3.73Å; F203-F221 HydrophobicContact CE2-CB 4.27Å; F203-F221 AromaticContact CE2-CD1 3.65Å; F203-F221 HydrophobicContact CE2-CD1 3.65Å; F203-F221 HydrophobicContact CE2-CG 4.42Å; F203-F221 HydrophobicContact CG-CB 4.4Å; F203-F221 AromaticContact CG-CD1 3.37Å; F203-F221 HydrophobicContact CG-CD1 3.37Å; F203-F221 AromaticContact CG-CE1 3.84Å; F203-F221 HydrophobicContact CG-CE1 3.84Å; F203-F221 HydrophobicContact CG-CG 4.07Å; F203-F221 AromaticContact CZ-CD1 3.75Å; F203-F221 HydrophobicContact CZ-CD1 3.75Å; F203-F221 HydrophobicContact CZ-CE1 4.26Å; F204-F221 HydrophobicContact CE1-CE2 4.16Å; F204-F221 HydrophobicContact CE2-CB 4.5Å; F204-F221 AromaticContact CE2-CD2 3.72Å; F204-F221 HydrophobicContact CE2-CD2 3.72Å; F204-F221 HydrophobicContact CE2-CE2 4.12Å; F204-F221 HydrophobicContact CE2-CG 4.1Å; F204-F221 AromaticContact CZ-CD2 3.41Å; F204-F221 HydrophobicContact CZ-CD2 3.41Å; F204-F221 VanDerWaalsContact CZ-CD2 3.41Å; F204-F221 AromaticContact CZ-CE2 3.4Å; F204-F221 HydrophobicContact CZ-CE2 3.4Å; F204-F221 HydrophobicContact CZ-CG 4.21Å; F204-F221 HydrophobicContact CZ-CZ 4.14Å; A217-F221 HydrophobicContact CB-CD2 4.46Å; A217-F221 VanDerWaalsContact O-CD2 3.27Å; A217-F221 WeakPolarHBondContact O-CD2 3.19Å; A217-F221 PolarHBondContact O-N 2.8Å; K219-F221 VanDerWaalsContact C-N 3.32Å; K219-F221 PolarHBondContact O-N 3.46Å
222A92.8Very high84.3Confident46 Ų4678.6 Ų78.638%0.3840%0.402SS..PPolyproline II helixtrans-63.7140.4172.300000110.9N201 K218 S224N201-A222 WeakPolarHBondContact ND2-CA 3.48Å; K218-A222 VanDerWaalsContact O-CB 3.31Å; K218-A222 WeakPolarHBondContact O-CB 3.45Å; K218-A222 PolarHBondContact O-N 3.43Å; A222-S224 PolarHBondContact O-N 3.07Å
223I86Confident83.5Confident67 Ų6783.6 Ų83.634%0.34443%0.428SS..PPolyproline II helixtrans-75.3119.2169.9-64.5166.8000107.3N112 N201N112-I223 PolarHBondContact OD1-N 3.26Å; N201-I223 HydrophobicContact CB-CD1 4.07Å; N201-I223 HydrophobicContact CB-CG1 3.98Å; N201-I223 PolarHBondContact ND2-N 3.33Å
224S75.6Confident82.5Confident42 Ų4288.7 Ų88.729%0.29445%0.454SS..PPolyproline II helixtrans-68.2140.8176.191.60000109.4A222 S226 D227A222-S224 PolarHBondContact O-N 3.07Å; S224-S226 PolarHBondContact O-N 3.11Å; S224-S226 PolarHBondContact OG-N 3.5Å; S224-S226 PolarHBondContact OG-OG 2.75Å; S224-D227 WeakPolarHBondContact CB-OD2 3.4Å; S224-D227 PolarHBondContact O-N 3.02Å; S224-D227 VanDerWaalsContact O-N 3.11Å; S224-D227 PolarHBondContact OG-N 2.61Å; S224-D227 PolarHBondContact OG-OD2 3.36Å
225K62.6Low81.5Confident209 Ų20992 Ų9291%0.90947%0.47SS*.THydrogen-bonded Turntrans-61.2-12.8173.7-71.2-172.2178.8-178.20113
226S57.3Low80.3Confident98 Ų9890.8 Ų90.869%0.68546%0.462SS*.THydrogen-bonded Turntrans-86.9-8.5177.737.30000114.7S224 K228S224-S226 PolarHBondContact O-N 3.11Å; S224-S226 PolarHBondContact OG-N 3.5Å; S224-S226 PolarHBondContact OG-OG 2.75Å; S226-K228 VanDerWaalsContact C-N 3.31Å; S226-K228 PolarHBondContact O-N 3.43Å
227D55.1Low78.9Confident127 Ų12790 Ų9068%0.67946%0.461SS*.  trans-93.920.9179.5-61.9-46.4000113.3S224S224-D227 WeakPolarHBondContact CB-OD2 3.4Å; S224-D227 PolarHBondContact O-N 3.02Å; S224-D227 VanDerWaalsContact O-N 3.11Å; S224-D227 PolarHBondContact OG-N 2.61Å; S224-D227 PolarHBondContact OG-OD2 3.36Å
228K41Very low77.3Confident193 Ų19398.2 Ų98.284%0.83950%0.503SS*.  trans-119.20173.4-68.5-170.6-179.8-175.30110.8E111 S226E111-K228 WeakPolarHBondContact OE1-CE 3.31Å; E111-K228 IonicContact OE1-NZ 2.7Å; E111-K228 PolarHBondContact OE1-NZ 2.91Å; E111-K228 IonicContact OE2-NZ 3.08Å; E111-K228 PolarHBondContact OE2-NZ 3.42Å; S226-K228 VanDerWaalsContact C-N 3.31Å; S226-K228 PolarHBondContact O-N 3.43Å

Retrieved 228 of 228 residues in 151.2 ms (Link to these results)

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