G4VRA6_SCHMA Loading...

Fructose-2,6-bisphosphatase TIGAR

AlphaFold DB , UniProt , Accession G4VRA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 359 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
1M52.3Low87.1Confident161 Ų16134.7 Ų34.779%0.79316%0.162SC*.  0138.10-78-179.2-74.500107.5N183M1-N183 PolarHBondContact O-ND2 3.43Å
2K66.4Low88Confident94 Ų9431.8 Ų31.841%0.40915%0.149SC..  trans-65.3139.8175.1-164.8169.8-172-171.70108.4E4 S191 I193K2-E4 PolarHBondContact O-N 3.36Å; K2-S191 WeakPolarHBondContact CE-O 3.46Å; K2-I193 HydrophobicContact CD-CD1 3.61Å; K2-I193 HydrophobicContact CD-CG1 3.86Å; K2-I193 VanDerWaalsContact CE-CG1 3.5Å; K2-I193 VanDerWaalsContact NZ-CG1 3.32Å
3Q76.2Confident88.8Confident15 Ų1529.4 Ų29.47%0.0714%0.137CC..  trans-70.6127.5176.9168163.673.400109.8I5 F181 N183 P192 I193Q3-I5 HydrophobicContact CG-CD1 4.05Å; Q3-I5 HydrophobicContact CG-CG1 3.75Å; Q3-F181 PolarHBondContact NE2-O 3.35Å; Q3-F181 PolarHBondContact OE1-O 3.12Å; Q3-N183 HydrophobicContact CB-CB 4.49Å; Q3-P192 HydrophobicContact CB-CB 3.93Å; Q3-P192 HydrophobicContact CG-CB 3.69Å; Q3-I193 PolarHBondContact O-N 2.71Å; Q3-I193 VanDerWaalsContact O-N 3.1Å
4E88.4Confident89.3Confident91 Ų9127.3 Ų27.343%0.42513%0.127SC..EExtended strand (participates in β ladder)trans-112.4106178.9-70.6-174.8-167.700108.8K2 D248 I249K2-E4 PolarHBondContact O-N 3.36Å; E4-D248 WeakPolarHBondContact O-CA 3.12Å; E4-I249 HydrophobicContact CB-CD1 3.94Å; E4-I249 HydrophobicContact CB-CG1 4.36Å; E4-I249 PolarHBondContact O-N 3.03Å
5I92.3Very high89.9Confident1 Ų125.5 Ų25.51%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-101.3121.6179.5-60169.7000107.6Q3 I174 F181 P192 I193 S194 T195 A246 F247Q3-I5 HydrophobicContact CG-CD1 4.05Å; Q3-I5 HydrophobicContact CG-CG1 3.75Å; I5-I174 HydrophobicContact CD1-CG2 3.52Å; I5-I174 HydrophobicContact CG2-CD1 3.96Å; I5-I174 HydrophobicContact CG2-CG2 4.16Å; I5-F181 HydrophobicContact CD1-CD2 3.41Å; I5-F181 VanDerWaalsContact CD1-CD2 3.41Å; I5-F181 HydrophobicContact CD1-CE2 3.84Å; I5-F181 HydrophobicContact CD1-CG 4.19Å; I5-F181 HydrophobicContact CG1-CD2 3.98Å; I5-F181 HydrophobicContact CG1-CE2 4.27Å; I5-F181 HydrophobicContact CG1-CG 4.44Å; I5-F181 HydrophobicContact CG2-CE2 3.97Å; I5-F181 HydrophobicContact CG2-CZ 4.33Å; I5-P192 HydrophobicContact CD1-CB 3.69Å; I5-P192 HydrophobicContact CD1-CG 3.87Å; I5-P192 HydrophobicContact CG1-CB 4.3Å; I5-I193 PolarHBondContact N-O 3.1Å; I5-S194 CarbonylContact O-C 3.58Å; I5-S194 VanDerWaalsContact O-CA 3.3Å; I5-S194 WeakPolarHBondContact O-CA 3.15Å; I5-T195 PolarHBondContact O-N 3.15Å; I5-A246 HydrophobicContact CG2-CB 4.08Å; I5-F247 WeakPolarHBondContact CA-O 3.32Å
6L94.4Very high90.3Very high3 Ų323.9 Ų23.92%0.01611%0.112CC..EExtended strand (participates in β ladder)trans-92.3145.6164-97.967.3000109.3I144 T195 A197 A246 F247 I249L6-I144 HydrophobicContact CD2-CB 4.43Å; L6-I144 HydrophobicContact CD2-CG1 3.98Å; L6-T195 WeakPolarHBondContact CA-O 3.48Å; L6-A197 HydrophobicContact CB-CB 4.47Å; L6-A197 HydrophobicContact CD2-CB 3.92Å; L6-A197 HydrophobicContact CG-CB 4.11Å; L6-A246 CarbonylContact O-C 3.6Å; L6-A246 WeakPolarHBondContact O-CA 3.26Å; L6-F247 HydrophobicContact CB-CE1 4.25Å; L6-F247 HydrophobicContact CB-CE2 3.95Å; L6-F247 HydrophobicContact CB-CZ 3.77Å; L6-F247 HydrophobicContact CD2-CZ 4.28Å; L6-F247 PolarHBondContact N-O 3.19Å; L6-F247 PolarHBondContact O-N 3.44Å; L6-I249 HydrophobicContact CD1-CD1 3.57Å; L6-I249 HydrophobicContact CD1-CG1 3.83Å
7Y95.9Very high90.7Very high16 Ų1624.8 Ų24.86%0.06312%0.116CC..EExtended strand (participates in β ladder)trans-142.5151.3169.673-90.1000112.1Y9 D157 M170 I174 T195 Y196 A197 V245Y7-Y9 HydrophobicContact CE2-CE2 4.27Å; Y7-D157 HydrophobicContact CE2-CB 4.45Å; Y7-D157 WeakPolarHBondContact CE2-OD2 3.34Å; Y7-D157 WeakPolarHBondContact OH-CB 3.12Å; Y7-D157 PolarHBondContact OH-OD2 3.08Å; Y7-M170 HydrophobicContact CD2-CB 3.65Å; Y7-M170 HydrophobicContact CD2-CG 3.84Å; Y7-M170 HydrophobicContact CE2-CB 4.04Å; Y7-M170 HydrophobicContact CG-CB 4.35Å; Y7-M170 HydrophobicContact CG-CG 4.09Å; Y7-I174 HydrophobicContact CD1-CD1 3.64Å; Y7-I174 HydrophobicContact CE1-CD1 4.42Å; Y7-I174 HydrophobicContact CG-CD1 3.77Å; Y7-T195 VanDerWaalsContact CD1-O 3.31Å; Y7-T195 WeakPolarHBondContact CD1-O 3.26Å; Y7-T195 PolarHBondContact N-O 2.95Å; Y7-Y196 HydrophobicContact CD2-CD2 4.1Å; Y7-Y196 AromaticContact CE2-CD2 3.69Å; Y7-Y196 HydrophobicContact CE2-CD2 3.69Å; Y7-Y196 HydrophobicContact CE2-CG 4.25Å; Y7-A197 PolarHBondContact O-N 2.88Å; Y7-V245 CarbonylContact C-O 3.52Å; Y7-V245 WeakPolarHBondContact CA-O 3.36Å; Y7-V245 WeakPolarHBondContact CB-O 3.49Å
8F97.6Very high91Very high0 Ų023.4 Ų23.40%011%0.109CC..EExtended strand (participates in β ladder)trans-149.3165.3-176.565-78.1000110L10 L139 L143 A197 G198 V200 V245 F247F8-L10 HydrophobicContact CD2-CD2 4.12Å; F8-L10 HydrophobicContact CD2-CG 4.16Å; F8-L10 HydrophobicContact CE2-CD1 4.17Å; F8-L10 HydrophobicContact CE2-CD2 3.57Å; F8-L10 HydrophobicContact CE2-CG 3.66Å; F8-L139 HydrophobicContact CE2-CD2 4.16Å; F8-L143 HydrophobicContact CB-CD1 3.96Å; F8-L143 HydrophobicContact CD1-CD1 3.62Å; F8-L143 HydrophobicContact CD2-CD1 3.66Å; F8-L143 HydrophobicContact CE1-CD1 3.93Å; F8-L143 HydrophobicContact CE2-CD1 3.95Å; F8-L143 HydrophobicContact CG-CD1 3.48Å; F8-L143 VanDerWaalsContact CG-CD1 3.48Å; F8-L143 HydrophobicContact CZ-CD1 4.08Å; F8-A197 HydrophobicContact CB-CB 4.39Å; F8-G198 VanDerWaalsContact CA-O 3.22Å; F8-G198 WeakPolarHBondContact CA-O 2.79Å; F8-G198 WeakPolarHBondContact CB-O 3.24Å; F8-V200 HydrophobicContact CD2-CG2 4.24Å; F8-V245 HydrophobicContact CD1-CB 4.05Å; F8-V245 HydrophobicContact CD1-CG1 4.44Å; F8-V245 HydrophobicContact CE1-CB 3.51Å; F8-V245 HydrophobicContact CE1-CG1 3.54Å; F8-V245 HydrophobicContact CE1-CG2 4.45Å; F8-V245 HydrophobicContact CE2-CB 4.15Å; F8-V245 HydrophobicContact CE2-CG2 4.29Å; F8-V245 HydrophobicContact CZ-CB 3.59Å; F8-V245 HydrophobicContact CZ-CG1 3.72Å; F8-V245 HydrophobicContact CZ-CG2 4.03Å; F8-V245 PolarHBondContact N-O 3Å; F8-V245 PolarHBondContact O-N 2.91Å; F8-F247 HydrophobicContact CD1-CE1 4.12Å; F8-F247 HydrophobicContact CE1-CD1 4.17Å; F8-F247 AromaticContact CE1-CE1 3.75Å; F8-F247 HydrophobicContact CE1-CE1 3.75Å
9Y98.3Very high91.3Very high1 Ų125.9 Ų25.90%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-107.3146.4172.5-59.7-86.7000110.2Y7 D157 F159 P160 I161 M170 Y196 G198 H199 V200 Y308Y7-Y9 HydrophobicContact CE2-CE2 4.27Å; Y9-D157 WeakPolarHBondContact CE2-OD1 3.45Å; Y9-D157 PolarHBondContact OH-OD1 3.24Å; Y9-D157 PolarHBondContact OH-OD2 3.46Å; Y9-F159 HydrophobicContact CE1-CD2 4Å; Y9-F159 HydrophobicContact CE1-CE2 4.23Å; Y9-F159 AromaticContact CZ-CD2 3.9Å; Y9-P160 HydrophobicContact CD2-CG 3.59Å; Y9-P160 HydrophobicContact CE2-CG 4.35Å; Y9-P160 HydrophobicContact CG-CG 3.79Å; Y9-I161 HydrophobicContact CD1-CD1 3.83Å; Y9-I161 HydrophobicContact CE1-CD1 4.26Å; Y9-M170 HydrophobicContact CE1-CB 3.98Å; Y9-M170 WeakPolarHBondContact OH-CB 3.19Å; Y9-M170 PolarHBondContact OH-N 3.17Å; Y9-Y196 HydrophobicContact CD2-CD2 4.44Å; Y9-Y196 AromaticContact CD2-CE2 3.68Å; Y9-Y196 HydrophobicContact CD2-CE2 3.68Å; Y9-Y196 HydrophobicContact CE2-CD2 4.22Å; Y9-Y196 AromaticContact CE2-CE2 3.83Å; Y9-Y196 HydrophobicContact CE2-CE2 3.83Å; Y9-G198 PolarHBondContact N-O 2.66Å; Y9-H199 WeakPolarHBondContact O-CA 3.46Å; Y9-H199 PolarHBondContact O-CD2 2.69Å; Y9-V200 PolarHBondContact O-N 3.43Å; Y9-Y308 HydrophobicContact CD1-CD2 4.49Å; Y9-Y308 HydrophobicContact CD1-CE2 4.12Å; Y9-Y308 AromaticContact CE1-CE2 3.79Å; Y9-Y308 HydrophobicContact CE1-CE2 3.79Å
10L98.5Very high91.5Very high0 Ų027.1 Ų27.10%013%0.132CC..EExtended strand (participates in β ladder)trans-113130.2171.5-70.1173000108.3F8 L12 L139 V200 I202 F212 L216 Q242 V243 V245F8-L10 HydrophobicContact CD2-CD2 4.12Å; F8-L10 HydrophobicContact CD2-CG 4.16Å; F8-L10 HydrophobicContact CE2-CD1 4.17Å; F8-L10 HydrophobicContact CE2-CD2 3.57Å; F8-L10 HydrophobicContact CE2-CG 3.66Å; L10-L12 HydrophobicContact CB-CD2 4.34Å; L10-L139 HydrophobicContact CD2-CD2 4.01Å; L10-V200 CarbonylContact C-O 3.6Å; L10-V200 WeakPolarHBondContact CA-O 3.22Å; L10-V200 HydrophobicContact CD2-CB 3.99Å; L10-V200 HydrophobicContact CD2-CG1 4.48Å; L10-I202 HydrophobicContact CD2-CD1 3.87Å; L10-F212 HydrophobicContact CD1-CE1 3.81Å; L10-F212 HydrophobicContact CD1-CZ 3.93Å; L10-L216 HydrophobicContact CD1-CD1 3.9Å; L10-Q242 CarbonylContact O-C 3.59Å; L10-Q242 VanDerWaalsContact O-CA 3.24Å; L10-Q242 WeakPolarHBondContact O-CA 3.01Å; L10-V243 HydrophobicContact CB-CB 4.4Å; L10-V243 PolarHBondContact N-O 3.43Å; L10-V243 PolarHBondContact O-N 2.88Å; L10-V245 HydrophobicContact CD1-CG2 3.64Å; L10-V245 HydrophobicContact CG-CG2 4.2Å
11T98.1Very high91.5Very high0 Ų025.9 Ų25.90%013%0.126CC..EExtended strand (participates in β ladder)trans-109.3113.4160-67.80000107.5I49 H199 V200 L201 I202 I240 C241 Q242T11-I49 HydrophobicContact CG2-CD1 3.91Å; T11-H199 WeakPolarHBondContact CB-NE2 3.35Å; T11-H199 PolarHBondContact OG1-CE1 3.11Å; T11-H199 PolarHBondContact OG1-NE2 3.48Å; T11-V200 PolarHBondContact N-O 3.23Å; T11-L201 HydrophobicContact CG2-CD1 3.71Å; T11-L201 CarbonylContact O-C 3.55Å; T11-L201 WeakPolarHBondContact O-CA 3.32Å; T11-I202 PolarHBondContact O-N 3.48Å; T11-I240 HydrophobicContact CG2-CG2 3.97Å; T11-C241 CarbonylContact C-O 3.59Å; T11-Q242 HydrophobicContact CG2-CG 4.36Å; T11-Q242 PolarHBondContact OG1-NE2 3.08Å
12L97.9Very high93.4Very high0 Ų025.4 Ų25.40%012%0.119CC..EExtended strand (participates in β ladder)trans-96.6125.1175.1-47.9179.1000108L10 I202 I209 F212 L213 I240 C241L10-L12 HydrophobicContact CB-CD2 4.34Å; L12-I202 WeakPolarHBondContact CA-O 2.84Å; L12-I202 HydrophobicContact CD2-CB 3.93Å; L12-I202 HydrophobicContact CD2-CD1 3.87Å; L12-I202 HydrophobicContact CD2-CG1 4.31Å; L12-I209 HydrophobicContact CB-CG2 4.14Å; L12-I209 HydrophobicContact CD1-CG2 3.94Å; L12-F212 HydrophobicContact CD1-CD1 3.92Å; L12-F212 HydrophobicContact CD1-CE1 4.44Å; L12-F212 HydrophobicContact CD2-CD1 3.83Å; L12-F212 HydrophobicContact CD2-CE1 3.78Å; L12-L213 HydrophobicContact CD1-CD2 3.72Å; L12-L213 HydrophobicContact CD1-CG 3.88Å; L12-I240 CarbonylContact O-C 3.55Å; L12-I240 WeakPolarHBondContact O-CA 3.05Å; L12-C241 HydrophobicContact CB-CB 4.16Å; L12-C241 HydrophobicContact CD1-CB 4.31Å; L12-C241 HydrophobicContact CG-CB 4.47Å; L12-C241 PolarHBondContact N-O 3.44Å; L12-C241 PolarHBondContact O-N 3.29Å
13L97.5Very high94.6Very high0 Ų025.6 Ų25.60%013%0.125CC..EExtended strand (participates in β ladder)trans-121.4123.4179.1177.764.9000108.8I45 T68 V72 L201 I202 V203 G204 C238 I240L13-I45 HydrophobicContact CD1-CG2 4.32Å; L13-I45 HydrophobicContact CD2-CG2 4.35Å; L13-T68 HydrophobicContact CD2-CG2 4.1Å; L13-V72 HydrophobicContact CD2-CG1 4.1Å; L13-V72 HydrophobicContact CD2-CG2 4.09Å; L13-L201 HydrophobicContact CB-CD1 4.13Å; L13-I202 PolarHBondContact N-O 3.02Å; L13-V203 HydrophobicContact CB-CG2 4.35Å; L13-V203 HydrophobicContact CD2-CG1 4.32Å; L13-V203 HydrophobicContact CD2-CG2 4.08Å; L13-V203 HydrophobicContact CG-CG1 4.47Å; L13-V203 CarbonylContact O-C 3.58Å; L13-V203 WeakPolarHBondContact O-CA 3.1Å; L13-G204 PolarHBondContact O-N 3.2Å; L13-C238 HydrophobicContact CD1-CB 4.32Å; L13-I240 HydrophobicContact CD1-CG1 3.89Å
14R97Very high95.3Very high0 Ų028.1 Ų28.10%014%0.137CC..EExtended strand (participates in β ladder)trans-77.1143.4168.4-174.3176.7170.4-138.14.9110N21 I209 M235 N237 C238 G239 D348 D350R14-N21 PolarHBondContact NH2-ND2 3.1Å; R14-I209 HydrophobicContact CB-CD1 4.05Å; R14-M235 HydrophobicContact CB-CB 4.35Å; R14-M235 WeakPolarHBondContact CD-O 3.46Å; R14-M235 PolarHBondContact NH1-O 2.62Å; R14-N237 VanDerWaalsContact CZ-ND2 3.32Å; R14-N237 VanDerWaalsContact NH1-N 3.14Å; R14-N237 PolarHBondContact NH1-ND2 3.03Å; R14-C238 VanDerWaalsContact O-CA 3.25Å; R14-C238 WeakPolarHBondContact O-CA 2.99Å; R14-C238 PolarHBondContact O-N 3.22Å; R14-G239 PolarHBondContact N-O 3.02Å; R14-D348 IonicContact CZ-OD1 2.62Å; R14-D348 IonicContact CZ-OD2 2.78Å; R14-D348 IonicContact NH1-OD1 3.41Å; R14-D348 PolarHBondContact NH1-OD1 3.19Å; R14-D348 IonicContact NH1-OD2 3.45Å; R14-D348 PolarHBondContact NH1-OD2 2.85Å; R14-D348 IonicContact NH2-OD1 3.3Å; R14-D348 PolarHBondContact NH2-OD1 3.3Å; R14-D348 IonicContact NH2-OD2 3.88Å; R14-D350 IonicContact CZ-OD2 2.78Å; R14-D350 IonicContact NE-OD2 3.16Å; R14-D350 IonicContact NH2-OD2 3.5Å; R14-D350 PolarHBondContact NH2-OD2 3.4Å
15H97.5Very high95.4Very high0 Ų025.2 Ų25.20%013%0.125CC..PPolyproline II helixtrans-52.6155.5172.967.575.9000113.1R64 A65 T68 G204 H205 N237 C238 D350H15-R64 HydrophobicContact CB-CB 4.43Å; H15-R64 HydrophobicContact CB-CG 4.39Å; H15-R64 PolarHBondContact NE2-NE 2.9Å; H15-A65 HydrophobicContact CB-CB 4.2Å; H15-T68 WeakPolarHBondContact CA-OG1 3.47Å; H15-G204 PolarHBondContact CD2-O 3.05Å; H15-G204 PolarHBondContact N-O 3.48Å; H15-H205 AromaticContact CD2-CG 3.97Å; H15-H205 AromaticContact CD2-ND1 3.28Å; H15-H205 PolarHBondContact CD2-ND1 3.26Å; H15-H205 VanDerWaalsContact CD2-ND1 3.28Å; H15-H205 AromaticContact NE2-ND1 3.55Å; H15-N237 WeakPolarHBondContact O-CA 3.43Å; H15-N237 WeakPolarHBondContact O-CB 3Å; H15-N237 PolarHBondContact O-ND2 2.71Å; H15-C238 PolarHBondContact O-N 3.43Å; H15-D350 IonicContact CE1-OD2 3.5Å; H15-D350 PolarHBondContact CE1-OD2 3.09Å; H15-D350 IonicContact NE2-OD2 3.3Å; H15-D350 PolarHBondContact NE2-OD2 3.26Å
16G96.9Very high95.3Very high0 Ų025.1 Ų25.10%013%0.125CC..PPolyproline II helixtrans-64.3165.3172.200000112.7L34 T68 N237 C238G16-L34 VanDerWaalsContact C-CD2 3.48Å; G16-L34 WeakPolarHBondContact O-CD2 3.28Å; G16-T68 PolarHBondContact N-OG1 3.49Å; G16-N237 PolarHBondContact O-ND2 2.89Å; G16-C238 VanDerWaalsContact CA-SG 3.59Å
17E96.6Very high95.3Very high39 Ų3925 Ų2518%0.18212%0.124CC..PPolyproline II helixtrans-56.6141.1179.8-170.3-162.880.600112.5N21 S35 G38 N237E17-N21 HydrophobicContact CG-CB 4.09Å; E17-S35 PolarHBondContact O-N 3.24Å; E17-S35 PolarHBondContact O-OG 3.17Å; E17-S35 PolarHBondContact OE1-OG 2.76Å; E17-G38 VanDerWaalsContact N-CA 3.34Å; E17-G38 WeakPolarHBondContact O-CA 3.3Å; E17-N237 HydrophobicContact CB-CB 4.39Å
18T97Very high95.2Very high0 Ų024.2 Ų24.20%012%0.121CC..BIsolated β-bridgetrans-111.3165.5168.762.10000110.8E20 N21 K22 Q27 D33 L34 R64T18-E20 PolarHBondContact O-N 2.98Å; T18-N21 PolarHBondContact N-OD1 2.78Å; T18-N21 WeakPolarHBondContact O-CB 3.44Å; T18-N21 PolarHBondContact O-N 2.74Å; T18-N21 PolarHBondContact OG1-N 3.43Å; T18-N21 PolarHBondContact OG1-OD1 2.94Å; T18-K22 PolarHBondContact O-N 3.46Å; T18-Q27 PolarHBondContact OG1-NE2 3.39Å; T18-Q27 PolarHBondContact OG1-OE1 2.66Å; T18-D33 WeakPolarHBondContact CB-O 3.37Å; T18-D33 WeakPolarHBondContact CG2-O 3.25Å; T18-L34 HydrophobicContact CG2-CD2 4.48Å; T18-R64 HydrophobicContact CG2-CB 3.7Å; T18-R64 HydrophobicContact CG2-CG 4.36Å
19T95.5Very high95.1Very high72 Ų7227.5 Ų27.544%0.44214%0.136SC..Hα-helixtrans-60.3-34.2173.3-60.10000111.2K22 N23T19-K22 PolarHBondContact O-N 3.27Å; T19-N23 WeakPolarHBondContact CG2-ND2 3.37Å; T19-N23 WeakPolarHBondContact O-CB 3.3Å; T19-N23 VanDerWaalsContact O-CG 3.24Å; T19-N23 PolarHBondContact O-N 3.46Å; T19-N23 PolarHBondContact O-ND2 2.85Å
20E95.1Very high95Very high48 Ų4831.2 Ų31.222%0.22416%0.156CC..Hα-helixtrans-66.7-40.7176.9-68.769.7-152.900112T18 K22 N23 Q24 V25 Q27 T32T18-E20 PolarHBondContact O-N 2.98Å; E20-K22 PolarHBondContact O-N 3.45Å; E20-N23 CarbonylContact O-C 3.41Å; E20-N23 PolarHBondContact O-N 2.93Å; E20-Q24 PolarHBondContact O-N 3.04Å; E20-V25 HydrophobicContact CB-CB 4.04Å; E20-V25 HydrophobicContact CB-CG1 4.43Å; E20-V25 HydrophobicContact CG-CB 4.33Å; E20-V25 HydrophobicContact CG-CG1 4.29Å; E20-V25 PolarHBondContact O-N 3.41Å; E20-Q27 HydrophobicContact CB-CG 3.51Å; E20-Q27 HydrophobicContact CG-CG 4.07Å; E20-T32 HydrophobicContact CG-CG2 3.96Å
21N91.9Very high94.9Very high3 Ų334.6 Ų34.62%0.01617%0.174CC..Hα-helixtrans-56.6-51.9172.4-68.9126.7000111.2R14 E17 T18 N23 Q24 Q27 D350R14-N21 PolarHBondContact NH2-ND2 3.1Å; E17-N21 HydrophobicContact CG-CB 4.09Å; T18-N21 PolarHBondContact N-OD1 2.78Å; T18-N21 WeakPolarHBondContact O-CB 3.44Å; T18-N21 PolarHBondContact O-N 2.74Å; T18-N21 PolarHBondContact OG1-N 3.43Å; T18-N21 PolarHBondContact OG1-OD1 2.94Å; N21-N23 PolarHBondContact O-N 3.33Å; N21-Q24 PolarHBondContact O-N 3.17Å; N21-Q24 PolarHBondContact O-NE2 3.26Å; N21-Q27 PolarHBondContact ND2-NE2 3.44Å; N21-D350 PolarHBondContact ND2-OD1 2.96Å; N21-D350 PolarHBondContact ND2-OD2 2.81Å
22K91.7Very high94.8Very high150 Ų15035 Ų3565%0.65218%0.176SC*.Hα-helixtrans-56.8-37.9178.3-177.8179.7179.2179.50112T18 T19 E20 Q24T18-K22 PolarHBondContact O-N 3.46Å; T19-K22 PolarHBondContact O-N 3.27Å; E20-K22 PolarHBondContact O-N 3.45Å; K22-Q24 VanDerWaalsContact C-N 3.32Å
23N93Very high94.8Very high99 Ų9939.2 Ų39.253%0.52920%0.199SC..THydrogen-bonded Turntrans-87.64.1179.9-65.8-24.9000113.9T19 E20 N21 V25T19-N23 WeakPolarHBondContact CG2-ND2 3.37Å; T19-N23 WeakPolarHBondContact O-CB 3.3Å; T19-N23 VanDerWaalsContact O-CG 3.24Å; T19-N23 PolarHBondContact O-N 3.46Å; T19-N23 PolarHBondContact O-ND2 2.85Å; E20-N23 CarbonylContact O-C 3.41Å; E20-N23 PolarHBondContact O-N 2.93Å; N21-N23 PolarHBondContact O-N 3.33Å; N23-V25 VanDerWaalsContact C-N 3.27Å; N23-V25 HydrophobicContact CB-CG2 4.02Å; N23-V25 PolarHBondContact O-N 2.78Å
24Q89.6Confident94.8Very high67 Ų6740 Ų4031%0.31320%0.203SC..THydrogen-bonded Turntrans55.141.4-177.8-59.6-69.2-65.300112.8E20 N21 K22 R97 D347 D348E20-Q24 PolarHBondContact O-N 3.04Å; N21-Q24 PolarHBondContact O-N 3.17Å; N21-Q24 PolarHBondContact O-NE2 3.26Å; K22-Q24 VanDerWaalsContact C-N 3.32Å; Q24-R97 HydrophobicContact CB-CB 4.41Å; Q24-R97 WeakPolarHBondContact O-CB 3.49Å; Q24-R97 PolarHBondContact O-N 3.05Å; Q24-D347 PolarHBondContact OE1-O 3.43Å; Q24-D348 VanDerWaalsContact NE2-C 3.29Å; Q24-D348 PolarHBondContact NE2-O 2.96Å
25V92.2Very high94.9Very high30 Ų3040.7 Ų40.718%0.18221%0.208CC..BIsolated β-bridgetrans-101.8128.6178174.30000109.4E20 N23 Q27 G349E20-V25 HydrophobicContact CB-CB 4.04Å; E20-V25 HydrophobicContact CB-CG1 4.43Å; E20-V25 HydrophobicContact CG-CB 4.33Å; E20-V25 HydrophobicContact CG-CG1 4.29Å; E20-V25 PolarHBondContact O-N 3.41Å; N23-V25 VanDerWaalsContact C-N 3.27Å; N23-V25 HydrophobicContact CB-CG2 4.02Å; N23-V25 PolarHBondContact O-N 2.78Å; V25-Q27 PolarHBondContact O-N 2.87Å; V25-G349 CarbonylContact C-O 3.55Å
26I90.2Very high94.9Very high0 Ų044.8 Ų44.80%024%0.242CC..  trans-75.7121.6-178.9-63.5-75000109.6F89 G94 R95 R97 V100 G349 D350I26-F89 HydrophobicContact CG2-CB 3.94Å; I26-F89 HydrophobicContact CG2-CD1 3.66Å; I26-F89 HydrophobicContact CG2-CD2 3.25Å; I26-F89 HydrophobicContact CG2-CE1 3.91Å; I26-F89 HydrophobicContact CG2-CE2 3.51Å; I26-F89 HydrophobicContact CG2-CG 3.33Å; I26-F89 HydrophobicContact CG2-CZ 3.83Å; I26-G94 WeakPolarHBondContact O-CA 3.3Å; I26-G94 PolarHBondContact O-N 3.35Å; I26-R95 PolarHBondContact N-O 3.07Å; I26-R97 HydrophobicContact CD1-CB 4.28Å; I26-R97 HydrophobicContact CD1-CG 4.33Å; I26-R97 HydrophobicContact CG1-CB 4.25Å; I26-V100 HydrophobicContact CB-CG2 4.29Å; I26-V100 HydrophobicContact CD1-CG2 4.48Å; I26-V100 HydrophobicContact CG1-CB 4.36Å; I26-V100 HydrophobicContact CG1-CG2 3.78Å; I26-V100 HydrophobicContact CG2-CG2 4.32Å; I26-G349 WeakPolarHBondContact CD1-O 3.24Å; I26-D350 VanDerWaalsContact CD1-C 3.48Å; I26-D350 WeakPolarHBondContact CD1-O 3.38Å
27Q93.8Very high94.9Very high0 Ų048.5 Ų48.50%026%0.264CS..  trans-93.4-38.4-170.6-59.7178.369.200113.2T18 E20 N21 V25 H29 L30 T32 T93 D350T18-Q27 PolarHBondContact OG1-NE2 3.39Å; T18-Q27 PolarHBondContact OG1-OE1 2.66Å; E20-Q27 HydrophobicContact CB-CG 3.51Å; E20-Q27 HydrophobicContact CG-CG 4.07Å; N21-Q27 PolarHBondContact ND2-NE2 3.44Å; V25-Q27 PolarHBondContact O-N 2.87Å; Q27-H29 PolarHBondContact O-N 3.06Å; Q27-L30 WeakPolarHBondContact O-CB 2.8Å; Q27-L30 PolarHBondContact O-N 3.4Å; Q27-T32 HydrophobicContact CG-CG2 4.47Å; Q27-T32 PolarHBondContact OE1-OG1 2.98Å; Q27-T93 WeakPolarHBondContact O-CG2 3.34Å; Q27-D350 PolarHBondContact NE2-OD1 3.43Å
28G93.4Very high94.9Very high0 Ų046.6 Ų46.60%026%0.255CS..THydrogen-bonded Turntrans47.8-123.1-172.100000113L30 R64 R87G28-L30 VanDerWaalsContact C-N 3.34Å; G28-R64 PolarHBondContact O-NH2 3.41Å; G28-R87 WeakPolarHBondContact CA-O 3.27Å
29H95.8Very high94.9Very high68 Ų6849.5 Ų49.532%0.31527%0.27SS..THydrogen-bonded Turntrans-87.45177.6-70-171.7000114.3Q27 D31 E86Q27-H29 PolarHBondContact O-N 3.06Å; H29-D31 PolarHBondContact O-N 3.39Å; H29-E86 PolarHBondContact CD2-O 2.88Å; H29-E86 PolarHBondContact NE2-O 3.13Å
30L95.5Very high95Very high79 Ų7950.7 Ų50.741%0.41427%0.271SS..  trans-59.6131.4172.3-172.965.2000109.4Q27 G28 T32 R64 T93Q27-L30 WeakPolarHBondContact O-CB 2.8Å; Q27-L30 PolarHBondContact O-N 3.4Å; G28-L30 VanDerWaalsContact C-N 3.34Å; L30-T32 HydrophobicContact CB-CG2 4.31Å; L30-T32 HydrophobicContact CD2-CG2 3.69Å; L30-T32 HydrophobicContact CG-CG2 3.78Å; L30-T32 PolarHBondContact O-N 2.95Å; L30-R64 PolarHBondContact O-NH1 2.8Å; L30-T93 HydrophobicContact CB-CG2 3.95Å
31D96.9Very high95Very high72 Ų7250.9 Ų50.939%0.38527%0.272SS..  trans-90.681.6-175.6-165.733.3000111H29 L62 K63H29-D31 PolarHBondContact O-N 3.39Å; D31-L62 HydrophobicContact CB-CD2 4.5Å; D31-K63 VanDerWaalsContact OD1-CB 3.24Å; D31-K63 WeakPolarHBondContact OD1-CB 3.23Å; D31-K63 VanDerWaalsContact OD1-CG 3.23Å; D31-K63 WeakPolarHBondContact OD1-CG 3.3Å; D31-K63 PolarHBondContact OD1-N 3.46Å; D31-K63 WeakPolarHBondContact OD2-CD 3.19Å; D31-K63 WeakPolarHBondContact OD2-CE 3.25Å; D31-K63 WeakPolarHBondContact OD2-CG 3.34Å; D31-K63 IonicContact OD2-NZ 3.86Å
32T96.7Very high95.2Very high8 Ų850.8 Ų50.85%0.04927%0.271CS..PPolyproline II helixtrans-95.1152.9-173.948.40000112.8E20 Q27 L30 K63 R64E20-T32 HydrophobicContact CG-CG2 3.96Å; Q27-T32 HydrophobicContact CG-CG2 4.47Å; Q27-T32 PolarHBondContact OE1-OG1 2.98Å; L30-T32 HydrophobicContact CB-CG2 4.31Å; L30-T32 HydrophobicContact CD2-CG2 3.69Å; L30-T32 HydrophobicContact CG-CG2 3.78Å; L30-T32 PolarHBondContact O-N 2.95Å; T32-K63 WeakPolarHBondContact O-CB 3.2Å; T32-R64 PolarHBondContact O-N 2.86Å; T32-R64 VanDerWaalsContact O-N 3.17Å; T32-R64 WeakPolarHBondContact OG1-CD 3.45Å; T32-R64 PolarHBondContact OG1-NH1 2.98Å
33D97.6Very high95.4Very high88 Ų8848.4 Ų48.447%0.47126%0.261SS..PPolyproline II helixtrans-89.6154.1177.1-66.8-53.2000111.6T18T18-D33 WeakPolarHBondContact CB-O 3.37Å; T18-D33 WeakPolarHBondContact CG2-O 3.25Å
34L98Very high95.5Very high17 Ų1746.5 Ų46.59%0.08925%0.251CS..BIsolated β-bridgetrans-64.5143.5169.2-67.7173.6000110.3G16 T18 L39 R64G16-L34 VanDerWaalsContact C-CD2 3.48Å; G16-L34 WeakPolarHBondContact O-CD2 3.28Å; T18-L34 HydrophobicContact CG2-CD2 4.48Å; L34-L39 HydrophobicContact CB-CD2 4.14Å; L34-L39 HydrophobicContact CB-CG 3.96Å; L34-L39 HydrophobicContact CD1-CD2 3.79Å; L34-L39 HydrophobicContact CD1-CG 4.37Å; L34-R64 HydrophobicContact CD2-CB 4.08Å
35S97.8Very high95.7Very high14 Ų1443.5 Ų43.510%0.09824%0.237CC..PPolyproline II helixtrans-70.1167.516782.50000109.8E17 V37 G38 L39E17-S35 PolarHBondContact O-N 3.24Å; E17-S35 PolarHBondContact O-OG 3.17Å; E17-S35 PolarHBondContact OE1-OG 2.76Å; S35-V37 PolarHBondContact O-N 3.32Å; S35-V37 PolarHBondContact OG-N 2.92Å; S35-G38 PolarHBondContact O-N 3.21Å; S35-G38 VanDerWaalsContact O-N 3.09Å; S35-G38 PolarHBondContact OG-N 2.89Å; S35-L39 PolarHBondContact O-N 2.94Å
36A97.8Very high95.9Very high86 Ų8647.3 Ų47.371%0.71125%0.248SC*.Hα-helixtrans-57.6-34.8171.800000112E40A36-E40 PolarHBondContact O-N 3.21Å
37V97Very high96Very high78 Ų7851.4 Ų51.447%0.47327%0.273SS..Hα-helixtrans-68.5-43.8174.5175.10000110.5S35 L39 E40 Q41S35-V37 PolarHBondContact O-N 3.32Å; S35-V37 PolarHBondContact OG-N 2.92Å; V37-L39 VanDerWaalsContact C-N 3.34Å; V37-L39 PolarHBondContact O-N 2.9Å; V37-E40 PolarHBondContact O-N 2.88Å; V37-E40 VanDerWaalsContact O-N 3.14Å; V37-Q41 HydrophobicContact CG1-CG 4.36Å; V37-Q41 WeakPolarHBondContact O-CG 3.11Å; V37-Q41 PolarHBondContact O-N 3.33Å
38G97Very high96Very high0 Ų052.7 Ų52.70%028%0.28CS..Hα-helixtrans-61.9-38.5177.500000114E17 S35 E40 Q41 A42E17-G38 VanDerWaalsContact N-CA 3.34Å; E17-G38 WeakPolarHBondContact O-CA 3.3Å; S35-G38 PolarHBondContact O-N 3.21Å; S35-G38 VanDerWaalsContact O-N 3.09Å; S35-G38 PolarHBondContact OG-N 2.89Å; G38-E40 VanDerWaalsContact C-N 3.34Å; G38-Q41 PolarHBondContact O-N 2.8Å; G38-A42 PolarHBondContact O-N 2.95Å
39L97.3Very high96Very high60 Ų6052.7 Ų52.731%0.31428%0.28SS..Hα-helixtrans-62.5-42.5172.4-72.9170000111.6L34 S35 V37 A42 K43 E71L34-L39 HydrophobicContact CB-CD2 4.14Å; L34-L39 HydrophobicContact CB-CG 3.96Å; L34-L39 HydrophobicContact CD1-CD2 3.79Å; L34-L39 HydrophobicContact CD1-CG 4.37Å; S35-L39 PolarHBondContact O-N 2.94Å; V37-L39 VanDerWaalsContact C-N 3.34Å; V37-L39 PolarHBondContact O-N 2.9Å; L39-A42 PolarHBondContact O-N 2.93Å; L39-K43 WeakPolarHBondContact O-CG 3.48Å; L39-K43 PolarHBondContact O-N 2.85Å; L39-E71 HydrophobicContact CD2-CG 4.3Å
40E96.7Very high95.9Very high97 Ų9753.1 Ų53.145%0.45328%0.284SS..Hα-helixtrans-68.2-37.5178.1-172.452.8-148.600111.9A36 V37 G38 A42 K43 N44A36-E40 PolarHBondContact O-N 3.21Å; V37-E40 PolarHBondContact O-N 2.88Å; V37-E40 VanDerWaalsContact O-N 3.14Å; G38-E40 VanDerWaalsContact C-N 3.34Å; E40-A42 PolarHBondContact O-N 3.05Å; E40-K43 PolarHBondContact O-N 3.25Å; E40-N44 WeakPolarHBondContact CG-ND2 3.37Å; E40-N44 VanDerWaalsContact O-CB 3.27Å; E40-N44 WeakPolarHBondContact O-CB 3.39Å; E40-N44 PolarHBondContact O-N 2.93Å; E40-N44 PolarHBondContact O-ND2 3.07Å; E40-N44 PolarHBondContact OE1-ND2 2.81Å
41Q95.4Very high95.7Very high53 Ų5355.5 Ų55.525%0.24829%0.293CS..Hα-helixtrans-58.6-46.4171.8-71.3168.9-13.400111.4V37 G38 N44 I45 C238V37-Q41 HydrophobicContact CG1-CG 4.36Å; V37-Q41 WeakPolarHBondContact O-CG 3.11Å; V37-Q41 PolarHBondContact O-N 3.33Å; G38-Q41 PolarHBondContact O-N 2.8Å; Q41-N44 PolarHBondContact O-N 2.9Å; Q41-I45 PolarHBondContact O-N 2.84Å; Q41-I45 VanDerWaalsContact O-N 3.12Å; Q41-C238 HydrophobicContact CB-CB 4.05Å
42A96.7Very high95.5Very high0 Ų052.4 Ų52.40%028%0.278CS..Hα-helixtrans-63.5-44.617900000111.9G38 L39 E40 N44 I45 R46 T68 E71 V72G38-A42 PolarHBondContact O-N 2.95Å; L39-A42 PolarHBondContact O-N 2.93Å; E40-A42 PolarHBondContact O-N 3.05Å; A42-N44 VanDerWaalsContact C-N 3.28Å; A42-N44 PolarHBondContact O-N 3.15Å; A42-I45 WeakPolarHBondContact O-CG2 3.44Å; A42-I45 PolarHBondContact O-N 3.18Å; A42-R46 PolarHBondContact O-N 2.67Å; A42-T68 HydrophobicContact CB-CG2 4.01Å; A42-E71 HydrophobicContact CB-CB 3.71Å; A42-E71 HydrophobicContact CB-CG 4.3Å; A42-V72 HydrophobicContact CB-CG1 4.49Å; A42-V72 VanDerWaalsContact O-CG1 3.31Å; A42-V72 WeakPolarHBondContact O-CG1 3.48Å
43K95.8Very high95.4Very high101 Ų10160 Ų6044%0.43931%0.31SS..Hα-helixtrans-60.3-40.7174.4-72.3172.5-176.4175.90112.1L39 E40 I45 R46 E71L39-K43 WeakPolarHBondContact O-CG 3.48Å; L39-K43 PolarHBondContact O-N 2.85Å; E40-K43 PolarHBondContact O-N 3.25Å; K43-I45 VanDerWaalsContact C-N 3.34Å; K43-I45 PolarHBondContact O-N 3.35Å; K43-R46 VanDerWaalsContact O-CB 3.27Å; K43-R46 WeakPolarHBondContact O-CB 3.4Å; K43-R46 PolarHBondContact O-N 3.34Å; K43-E71 VanDerWaalsContact CE-OE2 3.24Å; K43-E71 WeakPolarHBondContact CE-OE2 3.32Å; K43-E71 WeakPolarHBondContact CG-OE2 3.4Å
44N94.1Very high95.4Very high59 Ų5956.9 Ų56.932%0.31630%0.295SS..Hα-helixtrans-65.5-36.4-178-87.3-55000113.3E40 Q41 A42 K314E40-N44 WeakPolarHBondContact CG-ND2 3.37Å; E40-N44 VanDerWaalsContact O-CB 3.27Å; E40-N44 WeakPolarHBondContact O-CB 3.39Å; E40-N44 PolarHBondContact O-N 2.93Å; E40-N44 PolarHBondContact O-ND2 3.07Å; E40-N44 PolarHBondContact OE1-ND2 2.81Å; Q41-N44 PolarHBondContact O-N 2.9Å; A42-N44 VanDerWaalsContact C-N 3.28Å; A42-N44 PolarHBondContact O-N 3.15Å; N44-K314 HydrophobicContact CB-CD 3.84Å; N44-K314 VanDerWaalsContact O-CD 3.31Å; N44-K314 WeakPolarHBondContact O-CD 3.22Å; N44-K314 WeakPolarHBondContact O-CE 3.47Å; N44-K314 PolarHBondContact O-NZ 2.91Å; N44-K314 PolarHBondContact OD1-NZ 3.41Å
45I94.8Very high95.3Very high3 Ų359.9 Ų59.92%0.01531%0.311CS..Hα-helixtrans-82.9-16.2-178.4-152.873.6000113.3L13 Q41 A42 K43 T47 L48 I49 V72 C238 I240 K314L13-I45 HydrophobicContact CD1-CG2 4.32Å; L13-I45 HydrophobicContact CD2-CG2 4.35Å; Q41-I45 PolarHBondContact O-N 2.84Å; Q41-I45 VanDerWaalsContact O-N 3.12Å; A42-I45 WeakPolarHBondContact O-CG2 3.44Å; A42-I45 PolarHBondContact O-N 3.18Å; K43-I45 VanDerWaalsContact C-N 3.34Å; K43-I45 PolarHBondContact O-N 3.35Å; I45-T47 VanDerWaalsContact C-N 3.3Å; I45-T47 PolarHBondContact O-N 3.44Å; I45-L48 HydrophobicContact CD1-CD1 3.82Å; I45-L48 PolarHBondContact O-N 3.06Å; I45-L48 VanDerWaalsContact O-N 3.08Å; I45-I49 HydrophobicContact CG1-CG1 4.34Å; I45-I49 HydrophobicContact CG2-CG1 4.34Å; I45-I49 PolarHBondContact O-N 3.02Å; I45-I49 VanDerWaalsContact O-N 3.12Å; I45-V72 HydrophobicContact CG2-CG1 3.46Å; I45-V72 VanDerWaalsContact CG2-CG1 3.46Å; I45-C238 HydrophobicContact CG2-CB 4.47Å; I45-I240 HydrophobicContact CD1-CD1 3.74Å; I45-I240 HydrophobicContact CG1-CD1 3.62Å; I45-I240 HydrophobicContact CG1-CG1 4.36Å; I45-K314 HydrophobicContact CD1-CB 3.84Å
46R95.7Very high95.3Very high110 Ų11060 Ų6042%0.41531%0.31SS..Hα-helixtrans-46.6-47.8-179.6-178.4178.9-171.2150.7-2.8113.6A42 K43 L48 I49 N50 E71A42-R46 PolarHBondContact O-N 2.67Å; K43-R46 VanDerWaalsContact O-CB 3.27Å; K43-R46 WeakPolarHBondContact O-CB 3.4Å; K43-R46 PolarHBondContact O-N 3.34Å; R46-L48 PolarHBondContact O-N 3.04Å; R46-I49 PolarHBondContact O-N 2.94Å; R46-N50 WeakPolarHBondContact O-CB 3.23Å; R46-N50 PolarHBondContact O-N 3.49Å; R46-E71 VanDerWaalsContact CD-O 3.26Å; R46-E71 WeakPolarHBondContact CD-O 3.48Å; R46-E71 PolarHBondContact NH1-O 2.94Å
47T92.5Very high95.3Very high86 Ų8656.6 Ų56.653%0.52828%0.28SS..Hα-helixtrans-62.2-42.3-177-56.10000112I45 N50 Q51I45-T47 VanDerWaalsContact C-N 3.3Å; I45-T47 PolarHBondContact O-N 3.44Å; T47-N50 PolarHBondContact O-N 3.42Å; T47-Q51 VanDerWaalsContact O-CG 3.29Å; T47-Q51 WeakPolarHBondContact O-CG 3.2Å; T47-Q51 PolarHBondContact O-N 3.31Å
48L92.6Very high95.4Very high28 Ų2853.3 Ų53.315%0.14726%0.259CS..Hα-helixtrans-67-43178.9-63.5-176.7000111.3I45 R46 Q51 S52 I162 K314 F317I45-L48 HydrophobicContact CD1-CD1 3.82Å; I45-L48 PolarHBondContact O-N 3.06Å; I45-L48 VanDerWaalsContact O-N 3.08Å; R46-L48 PolarHBondContact O-N 3.04Å; L48-Q51 PolarHBondContact O-N 3.39Å; L48-S52 PolarHBondContact O-N 3.42Å; L48-I162 HydrophobicContact CB-CD1 4.31Å; L48-I162 HydrophobicContact CB-CG2 4.11Å; L48-I162 HydrophobicContact CD1-CG2 4.3Å; L48-I162 HydrophobicContact CD2-CG2 4.2Å; L48-I162 HydrophobicContact CG-CG2 4.45Å; L48-K314 HydrophobicContact CD1-CB 4.38Å; L48-K314 HydrophobicContact CD1-CG 4.2Å; L48-F317 HydrophobicContact CD1-CB 4.21Å; L48-F317 HydrophobicContact CD1-CD2 3.63Å; L48-F317 HydrophobicContact CD1-CE2 4.36Å; L48-F317 HydrophobicContact CD1-CG 4.19Å
49I95.5Very high95.5Very high0 Ų053.3 Ų53.30%026%0.259CS..Hα-helixtrans-62-45.6175.9-63-58000110.8T11 I45 R46 Q51 S52 K53 T73 I162 L201 I240T11-I49 HydrophobicContact CG2-CD1 3.91Å; I45-I49 HydrophobicContact CG1-CG1 4.34Å; I45-I49 HydrophobicContact CG2-CG1 4.34Å; I45-I49 PolarHBondContact O-N 3.02Å; I45-I49 VanDerWaalsContact O-N 3.12Å; R46-I49 PolarHBondContact O-N 2.94Å; I49-Q51 VanDerWaalsContact C-N 3.32Å; I49-Q51 PolarHBondContact O-N 3.1Å; I49-S52 PolarHBondContact O-N 3.23Å; I49-S52 VanDerWaalsContact O-N 3.11Å; I49-S52 PolarHBondContact O-OG 2.94Å; I49-K53 PolarHBondContact O-N 3.49Å; I49-T73 HydrophobicContact CG2-CG2 4.21Å; I49-I162 HydrophobicContact CD1-CD1 4.26Å; I49-L201 HydrophobicContact CD1-CD1 4.16Å; I49-L201 HydrophobicContact CG2-CD1 4.46Å; I49-L201 HydrophobicContact CG2-CD2 3.57Å; I49-I240 HydrophobicContact CD1-CD1 3.71Å; I49-I240 HydrophobicContact CD1-CG1 4.38Å
50N93.1Very high95.6Very high76 Ų7650.4 Ų50.441%0.40624%0.244SC..Hα-helixtrans-63.8-34.8179.3-77.2-14000113.2R46 T47 S52 K53 V72R46-N50 WeakPolarHBondContact O-CB 3.23Å; R46-N50 PolarHBondContact O-N 3.49Å; T47-N50 PolarHBondContact O-N 3.42Å; N50-S52 VanDerWaalsContact C-N 3.27Å; N50-S52 PolarHBondContact O-N 2.92Å; N50-K53 WeakPolarHBondContact O-CG 3.27Å; N50-K53 PolarHBondContact O-N 3.34Å; N50-V72 PolarHBondContact OD1-O 2.97Å
51Q91.2Very high95.7Very high129 Ų12947.4 Ų47.460%0.60323%0.231SC*.Hα-helixtrans-63.3-34.8174.6-75.7170.2-14.800112.3T47 L48 I49 K53T47-Q51 VanDerWaalsContact O-CG 3.29Å; T47-Q51 WeakPolarHBondContact O-CG 3.2Å; T47-Q51 PolarHBondContact O-N 3.31Å; L48-Q51 PolarHBondContact O-N 3.39Å; I49-Q51 VanDerWaalsContact C-N 3.32Å; I49-Q51 PolarHBondContact O-N 3.1Å; Q51-K53 VanDerWaalsContact C-N 3.26Å; Q51-K53 PolarHBondContact O-N 3.21Å
52S92.5Very high95.8Very high8 Ų845.3 Ų45.36%0.05622%0.222CC..Hα-helixtrans-75.1-10.6178.376.70000114.5L48 I49 N50 P160 H199L48-S52 PolarHBondContact O-N 3.42Å; I49-S52 PolarHBondContact O-N 3.23Å; I49-S52 VanDerWaalsContact O-N 3.11Å; I49-S52 PolarHBondContact O-OG 2.94Å; N50-S52 VanDerWaalsContact C-N 3.27Å; N50-S52 PolarHBondContact O-N 2.92Å; S52-P160 VanDerWaalsContact O-CB 3.3Å; S52-P160 WeakPolarHBondContact O-CB 3.23Å; S52-H199 PolarHBondContact O-CE1 2.83Å; S52-H199 PolarHBondContact O-ND1 3.4Å; S52-H199 PolarHBondContact OG-CE1 3.14Å
53K94.2Very high95.9Very high166 Ų16648 Ų4872%0.72223%0.233SC*.  trans45.765.2173.6-61.9176.8-177.51760113.7I49 N50 Q51 D55I49-K53 PolarHBondContact O-N 3.49Å; N50-K53 WeakPolarHBondContact O-CG 3.27Å; N50-K53 PolarHBondContact O-N 3.34Å; Q51-K53 VanDerWaalsContact C-N 3.26Å; Q51-K53 PolarHBondContact O-N 3.21Å; K53-D55 PolarHBondContact O-N 3.03Å
54P97.2Very high96Very high24 Ų2443.2 Ų43.216%0.15621%0.212CC..  trans-61.1135.517626.9-34.2000111.4I57 L201P54-I57 HydrophobicContact CB-CG1 4.1Å; P54-I57 HydrophobicContact CG-CD1 4.2Å; P54-I57 HydrophobicContact CG-CG1 3.88Å; P54-L201 HydrophobicContact CB-CB 3.67Å; P54-L201 HydrophobicContact CG-CB 4.03Å; P54-L201 HydrophobicContact CG-CD2 4.3Å
55D96.4Very high96.2Very high80 Ų8040.4 Ų40.443%0.42820%0.197SC..SBendtrans-77.7-34174-66.7-87.3000111.8K53 R155 G198 H199K53-D55 PolarHBondContact O-N 3.03Å; D55-R155 IonicContact OD1-CZ 3.97Å; D55-R155 IonicContact OD1-NH1 3.97Å; D55-R155 PolarHBondContact OD1-NH1 2.78Å; D55-R155 IonicContact OD2-NH1 3.04Å; D55-G198 WeakPolarHBondContact OD2-CA 3.32Å; D55-H199 WeakPolarHBondContact CB-O 3.22Å; D55-H199 PolarHBondContact N-O 2.72Å; D55-H199 PolarHBondContact OD2-N 2.96Å
56I98Very high96.4Very high17 Ų1743 Ų439%0.08721%0.207CC..EExtended strand (participates in β ladder)trans-131.1131-177-61.1171.4000107.7I58 L143 H199 V200 L201I56-I58 HydrophobicContact CG2-CD1 3.94Å; I56-I58 HydrophobicContact CG2-CG1 3.87Å; I56-L143 HydrophobicContact CD1-CD2 3.92Å; I56-H199 PolarHBondContact N-O 2.93Å; I56-V200 HydrophobicContact CB-CG1 4.14Å; I56-V200 HydrophobicContact CB-CG2 4.26Å; I56-V200 HydrophobicContact CD1-CG2 4.32Å; I56-V200 HydrophobicContact CG2-CG1 4.08Å; I56-V200 CarbonylContact O-C 3.58Å; I56-V200 WeakPolarHBondContact O-CA 3.32Å; I56-L201 PolarHBondContact O-N 3.25Å
57I98.7Very high96.5Very high13 Ų1341.9 Ų41.97%0.06720%0.204CC..EExtended strand (participates in β ladder)trans-121.6112.8179-60.7151.9000108.3P54 T73 V77 V78 E79 L201P54-I57 HydrophobicContact CB-CG1 4.1Å; P54-I57 HydrophobicContact CG-CD1 4.2Å; P54-I57 HydrophobicContact CG-CG1 3.88Å; I57-T73 HydrophobicContact CD1-CG2 3.61Å; I57-T73 HydrophobicContact CG1-CG2 4.18Å; I57-T73 HydrophobicContact CG2-CG2 4.4Å; I57-V77 HydrophobicContact CD1-CG2 3.48Å; I57-V77 VanDerWaalsContact CD1-CG2 3.48Å; I57-V78 HydrophobicContact CG2-CB 4.47Å; I57-V78 HydrophobicContact CG2-CG1 4.45Å; I57-V78 HydrophobicContact CG2-CG2 3.91Å; I57-E79 PolarHBondContact O-N 3.02Å; I57-L201 HydrophobicContact CG1-CB 4.22Å; I57-L201 HydrophobicContact CG1-CD2 4.24Å; I57-L201 HydrophobicContact CG2-CD2 4.01Å; I57-L201 HydrophobicContact CG2-CG 4.44Å
58I98.8Very high96.8Very high9 Ų937.8 Ų37.85%0.04618%0.179CC..EExtended strand (participates in β ladder)trans-113.8134.8178.9-61.9163.8000107.9I56 E79 E81 I84 F135 L139 V200 L201 I202 V203I56-I58 HydrophobicContact CG2-CD1 3.94Å; I56-I58 HydrophobicContact CG2-CG1 3.87Å; I58-E79 CarbonylContact C-O 3.49Å; I58-E79 WeakPolarHBondContact CA-O 3.1Å; I58-E79 HydrophobicContact CG1-CB 4.44Å; I58-E81 HydrophobicContact CG2-CB 3.6Å; I58-E81 HydrophobicContact CG2-CG 4.36Å; I58-I84 HydrophobicContact CG2-CD1 3.83Å; I58-F135 HydrophobicContact CD1-CE2 4.23Å; I58-F135 HydrophobicContact CD1-CZ 4.14Å; I58-F135 HydrophobicContact CG2-CE2 4.25Å; I58-F135 HydrophobicContact CG2-CZ 4.48Å; I58-L139 HydrophobicContact CD1-CD1 4.11Å; I58-V200 HydrophobicContact CD1-CG1 4.1Å; I58-L201 PolarHBondContact N-O 3.42Å; I58-I202 CarbonylContact O-C 3.58Å; I58-I202 VanDerWaalsContact O-CA 3.32Å; I58-I202 WeakPolarHBondContact O-CA 3.43Å; I58-V203 PolarHBondContact O-N 3.08Å
59S98.9Very high97.1Very high0 Ų036.5 Ų36.50%017%0.172CC..EExtended strand (participates in β ladder)trans-130.3148.2175.2-170.10000111.5D61 A65 R66 E79 L80 E81 V203S59-D61 PolarHBondContact O-N 3.18Å; S59-A65 VanDerWaalsContact OG-C 3.25Å; S59-A65 PolarHBondContact OG-O 3.28Å; S59-A65 VanDerWaalsContact OG-O 3.1Å; S59-R66 PolarHBondContact OG-N 3.41Å; S59-E79 PolarHBondContact N-O 3.36Å; S59-L80 CarbonylContact O-C 3.48Å; S59-L80 WeakPolarHBondContact O-CA 3.39Å; S59-E81 PolarHBondContact O-N 3Å; S59-V203 CarbonylContact C-O 3.55Å; S59-V203 VanDerWaalsContact CA-O 3.31Å; S59-V203 WeakPolarHBondContact CA-O 3.25Å; S59-V203 PolarHBondContact OG-O 3.11Å
60S98.7Very high97.2Very high0 Ų039.7 Ų39.70%018%0.184CC..EExtended strand (participates in β ladder)trans-59.9139.7163.61740000109.2L62 R66 E81 V203 H205S60-L62 PolarHBondContact O-N 2.92Å; S60-L62 PolarHBondContact OG-N 2.97Å; S60-R66 PolarHBondContact O-N 2.86Å; S60-E81 WeakPolarHBondContact CA-O 3.48Å; S60-V203 PolarHBondContact N-O 3.41Å; S60-H205 WeakPolarHBondContact CB-NE2 3.05Å; S60-H205 PolarHBondContact OG-NE2 2.61Å
61D98.5Very high97.4Very high34 Ų3438.8 Ų38.818%0.18218%0.178CC..SBendtrans-69.4-12.1177.460.1-10.1000115.1S59 L80 R85S59-D61 PolarHBondContact O-N 3.18Å; D61-L80 HydrophobicContact CB-CB 4.12Å; D61-L80 HydrophobicContact CB-CD1 4.44Å; D61-R85 WeakPolarHBondContact OD1-CG 3.29Å; D61-R85 IonicContact OD1-CZ 3.45Å; D61-R85 IonicContact OD1-NE 2.63Å; D61-R85 PolarHBondContact OD1-NE 3.3Å; D61-R85 IonicContact OD1-NH2 2.67Å; D61-R85 PolarHBondContact OD1-NH2 3.39Å; D61-R85 IonicContact OD2-CZ 3.41Å; D61-R85 VanDerWaalsContact OD2-CZ 3.3Å; D61-R85 IonicContact OD2-NE 2.7Å; D61-R85 PolarHBondContact OD2-NE 3.32Å; D61-R85 IonicContact OD2-NH2 3.88Å; D61-R85 PolarHBondContact OD2-NH2 3.15Å
62L98.5Very high97.7Very high8 Ų832.7 Ų32.74%0.04215%0.149CC..SBendtrans-66133.9172.1-64175.5000110.5D31 S60 R64 A65 R66 R85D31-L62 HydrophobicContact CB-CD2 4.5Å; S60-L62 PolarHBondContact O-N 2.92Å; S60-L62 PolarHBondContact OG-N 2.97Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 3.08Å; L62-R64 VanDerWaalsContact O-N 3.16Å; L62-A65 PolarHBondContact O-N 3.17Å; L62-R66 PolarHBondContact O-N 3.32Å; L62-R85 HydrophobicContact CD1-CB 4.16Å; L62-R85 HydrophobicContact CD1-CG 3.97Å; L62-R85 HydrophobicContact CG-CG 4Å
63K98.3Very high98Very high57 Ų5732.6 Ų32.625%0.24815%0.148CC..Hα-helixtrans-47.3-48.6-171-82.6173-177.4178.90113.7D31 T32 A65 R66 Y67D31-K63 VanDerWaalsContact OD1-CB 3.24Å; D31-K63 WeakPolarHBondContact OD1-CB 3.23Å; D31-K63 VanDerWaalsContact OD1-CG 3.23Å; D31-K63 WeakPolarHBondContact OD1-CG 3.3Å; D31-K63 PolarHBondContact OD1-N 3.46Å; D31-K63 WeakPolarHBondContact OD2-CD 3.19Å; D31-K63 WeakPolarHBondContact OD2-CE 3.25Å; D31-K63 WeakPolarHBondContact OD2-CG 3.34Å; D31-K63 IonicContact OD2-NZ 3.86Å; T32-K63 WeakPolarHBondContact O-CB 3.2Å; K63-A65 VanDerWaalsContact C-N 3.32Å; K63-A65 PolarHBondContact O-N 2.9Å; K63-R66 PolarHBondContact O-N 2.71Å; K63-Y67 HydrophobicContact CB-CD2 4.21Å; K63-Y67 HydrophobicContact CB-CE2 4.13Å; K63-Y67 HydrophobicContact CD-CE2 4.36Å; K63-Y67 HydrophobicContact CG-CE2 4.06Å; K63-Y67 VanDerWaalsContact O-CB 3.32Å; K63-Y67 WeakPolarHBondContact O-CB 3.47Å; K63-Y67 PolarHBondContact O-N 2.88Å
64R98.1Very high98.1Very high0 Ų029.1 Ų29.10%014%0.137CC..Hα-helixtrans-55.1-43.3179.662.1-174.8179-85.6-2.4113.6H15 T18 G28 L30 T32 L34 L62 T68 H205H15-R64 HydrophobicContact CB-CB 4.43Å; H15-R64 HydrophobicContact CB-CG 4.39Å; H15-R64 PolarHBondContact NE2-NE 2.9Å; T18-R64 HydrophobicContact CG2-CB 3.7Å; T18-R64 HydrophobicContact CG2-CG 4.36Å; G28-R64 PolarHBondContact O-NH2 3.41Å; L30-R64 PolarHBondContact O-NH1 2.8Å; T32-R64 PolarHBondContact O-N 2.86Å; T32-R64 VanDerWaalsContact O-N 3.17Å; T32-R64 WeakPolarHBondContact OG1-CD 3.45Å; T32-R64 PolarHBondContact OG1-NH1 2.98Å; L34-R64 HydrophobicContact CD2-CB 4.08Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 3.08Å; L62-R64 VanDerWaalsContact O-N 3.16Å; R64-T68 WeakPolarHBondContact O-CB 3.41Å; R64-T68 PolarHBondContact O-N 2.87Å; R64-T68 PolarHBondContact O-OG1 2.73Å; R64-H205 VanDerWaalsContact CZ-CE1 3.41Å; R64-H205 PolarHBondContact NE-CE1 3.04Å; R64-H205 VanDerWaalsContact NE-CE1 3.27Å; R64-H205 PolarHBondContact NE-ND1 3.14Å; R64-H205 PolarHBondContact NH2-CE1 2.71Å; R64-H205 VanDerWaalsContact NH2-CE1 3.28Å; R64-H205 PolarHBondContact NH2-ND1 3.1Å
65A98.5Very high98.1Very high0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-77.4-43.2177.700000111.7H15 S59 L62 K63 T68 A69 V203H15-A65 HydrophobicContact CB-CB 4.2Å; S59-A65 VanDerWaalsContact OG-C 3.25Å; S59-A65 PolarHBondContact OG-O 3.28Å; S59-A65 VanDerWaalsContact OG-O 3.1Å; L62-A65 PolarHBondContact O-N 3.17Å; K63-A65 VanDerWaalsContact C-N 3.32Å; K63-A65 PolarHBondContact O-N 2.9Å; A65-T68 WeakPolarHBondContact O-CB 3.37Å; A65-T68 PolarHBondContact O-N 3.38Å; A65-A69 PolarHBondContact O-N 3.06Å; A65-V203 WeakPolarHBondContact O-CG1 3.26Å
66R98.6Very high98.2Very high57 Ų5731.8 Ų31.822%0.21516%0.161CC..Hα-helixtrans-58.8-49.2177.1-177.3173.869.3-164.4-3.9112.6S59 S60 L62 K63 T68 A69 Y70 L80S59-R66 PolarHBondContact OG-N 3.41Å; S60-R66 PolarHBondContact O-N 2.86Å; L62-R66 PolarHBondContact O-N 3.32Å; K63-R66 PolarHBondContact O-N 2.71Å; R66-T68 VanDerWaalsContact C-N 3.35Å; R66-A69 WeakPolarHBondContact O-CB 3.49Å; R66-A69 PolarHBondContact O-N 2.64Å; R66-Y70 WeakPolarHBondContact CD-OH 3.37Å; R66-Y70 HydrophobicContact CG-CD1 4.31Å; R66-Y70 HydrophobicContact CG-CD2 4.39Å; R66-Y70 HydrophobicContact CG-CE1 3.71Å; R66-Y70 HydrophobicContact CG-CE2 3.82Å; R66-Y70 VanDerWaalsContact CG-CZ 3.45Å; R66-Y70 VanDerWaalsContact O-CD1 3.24Å; R66-Y70 WeakPolarHBondContact O-CD1 3.3Å; R66-Y70 VanDerWaalsContact O-CG 3.3Å; R66-Y70 PolarHBondContact O-N 2.84Å; R66-L80 HydrophobicContact CB-CD2 4.38Å; R66-L80 HydrophobicContact CG-CD2 3.79Å
67Y98.3Very high98.1Very high88 Ų8834.5 Ų34.535%0.34518%0.179SC..Hα-helixtrans-69.8-32.4178.1-67-26000112.3K63 A69 Y70 E71K63-Y67 HydrophobicContact CB-CD2 4.21Å; K63-Y67 HydrophobicContact CB-CE2 4.13Å; K63-Y67 HydrophobicContact CD-CE2 4.36Å; K63-Y67 HydrophobicContact CG-CE2 4.06Å; K63-Y67 VanDerWaalsContact O-CB 3.32Å; K63-Y67 WeakPolarHBondContact O-CB 3.47Å; K63-Y67 PolarHBondContact O-N 2.88Å; Y67-A69 VanDerWaalsContact C-N 3.33Å; Y67-A69 PolarHBondContact O-N 2.82Å; Y67-Y70 AromaticContact CD1-CD2 3.85Å; Y67-Y70 HydrophobicContact CD1-CD2 3.85Å; Y67-Y70 HydrophobicContact CD1-CE2 4.27Å; Y67-Y70 HydrophobicContact CE1-CD2 4.32Å; Y67-Y70 HydrophobicContact CE1-CE2 4.4Å; Y67-Y70 PolarHBondContact O-N 2.82Å; Y67-E71 WeakPolarHBondContact O-CG 3.41Å; Y67-E71 PolarHBondContact O-N 3.09Å
68T98.6Very high98.1Very high0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-58-49.1167.8-59.60000110.1L13 H15 G16 A42 R64 A65 R66 Y70 E71 V72 V203L13-T68 HydrophobicContact CD2-CG2 4.1Å; H15-T68 WeakPolarHBondContact CA-OG1 3.47Å; G16-T68 PolarHBondContact N-OG1 3.49Å; A42-T68 HydrophobicContact CB-CG2 4.01Å; R64-T68 WeakPolarHBondContact O-CB 3.41Å; R64-T68 PolarHBondContact O-N 2.87Å; R64-T68 PolarHBondContact O-OG1 2.73Å; A65-T68 WeakPolarHBondContact O-CB 3.37Å; A65-T68 PolarHBondContact O-N 3.38Å; R66-T68 VanDerWaalsContact C-N 3.35Å; T68-Y70 VanDerWaalsContact C-N 3.31Å; T68-Y70 PolarHBondContact O-N 3.4Å; T68-E71 PolarHBondContact O-N 2.77Å; T68-V72 WeakPolarHBondContact O-CG2 3.32Å; T68-V72 PolarHBondContact O-N 3.12Å; T68-V72 VanDerWaalsContact O-N 3.08Å; T68-V203 HydrophobicContact CG2-CG1 3.98Å
69A98.6Very high98.1Very high0 Ų038.3 Ų38.30%020%0.197CC..Hα-helixtrans-57.7-41.7177.600000112.5A65 R66 Y67 E71 V72 T73 V78 V203A65-A69 PolarHBondContact O-N 3.06Å; R66-A69 WeakPolarHBondContact O-CB 3.49Å; R66-A69 PolarHBondContact O-N 2.64Å; Y67-A69 VanDerWaalsContact C-N 3.33Å; Y67-A69 PolarHBondContact O-N 2.82Å; A69-E71 VanDerWaalsContact C-N 3.35Å; A69-E71 PolarHBondContact O-N 2.89Å; A69-V72 WeakPolarHBondContact O-CG2 3.27Å; A69-V72 PolarHBondContact O-N 3.12Å; A69-T73 PolarHBondContact O-N 3.3Å; A69-T73 PolarHBondContact O-OG1 3.44Å; A69-V78 HydrophobicContact CB-CG1 3.97Å; A69-V78 HydrophobicContact CB-CG2 4.2Å; A69-V203 HydrophobicContact CB-CB 4.05Å; A69-V203 HydrophobicContact CB-CG1 4.26Å; A69-V203 HydrophobicContact CB-CG2 3.84Å
70Y98.3Very high98.1Very high68 Ų6842 Ų4227%0.26722%0.217SC..Hα-helixtrans-68.9-29.8179-692.1000113.6R66 Y67 T68 T73 P75 V78R66-Y70 WeakPolarHBondContact CD-OH 3.37Å; R66-Y70 HydrophobicContact CG-CD1 4.31Å; R66-Y70 HydrophobicContact CG-CD2 4.39Å; R66-Y70 HydrophobicContact CG-CE1 3.71Å; R66-Y70 HydrophobicContact CG-CE2 3.82Å; R66-Y70 VanDerWaalsContact CG-CZ 3.45Å; R66-Y70 VanDerWaalsContact O-CD1 3.24Å; R66-Y70 WeakPolarHBondContact O-CD1 3.3Å; R66-Y70 VanDerWaalsContact O-CG 3.3Å; R66-Y70 PolarHBondContact O-N 2.84Å; Y67-Y70 AromaticContact CD1-CD2 3.85Å; Y67-Y70 HydrophobicContact CD1-CD2 3.85Å; Y67-Y70 HydrophobicContact CD1-CE2 4.27Å; Y67-Y70 HydrophobicContact CE1-CD2 4.32Å; Y67-Y70 HydrophobicContact CE1-CE2 4.4Å; Y67-Y70 PolarHBondContact O-N 2.82Å; T68-Y70 VanDerWaalsContact C-N 3.31Å; T68-Y70 PolarHBondContact O-N 3.4Å; Y70-T73 CarbonylContact C-O 3.5Å; Y70-P75 HydrophobicContact CD1-CB 3.76Å; Y70-P75 HydrophobicContact CD1-CG 4.18Å; Y70-P75 HydrophobicContact CD2-CB 4.13Å; Y70-P75 HydrophobicContact CD2-CG 4.29Å; Y70-P75 HydrophobicContact CE1-CB 3.99Å; Y70-P75 HydrophobicContact CE2-CB 4.32Å; Y70-P75 HydrophobicContact CG-CB 3.85Å; Y70-P75 HydrophobicContact CG-CG 3.88Å; Y70-V78 HydrophobicContact CD1-CB 4.27Å; Y70-V78 HydrophobicContact CD1-CG1 4.45Å; Y70-V78 HydrophobicContact CD1-CG2 4Å; Y70-V78 HydrophobicContact CE1-CB 3.92Å; Y70-V78 HydrophobicContact CE1-CG1 4.06Å; Y70-V78 HydrophobicContact CE1-CG2 4.17Å
71E97.7Very high98.1Very high57 Ų5743.6 Ų43.627%0.26622%0.224SC..Hα-helixtrans-76.7-33.7174.1-70.8-63.8151.200111.5L39 A42 K43 R46 Y67 T68 A69L39-E71 HydrophobicContact CD2-CG 4.3Å; A42-E71 HydrophobicContact CB-CB 3.71Å; A42-E71 HydrophobicContact CB-CG 4.3Å; K43-E71 VanDerWaalsContact CE-OE2 3.24Å; K43-E71 WeakPolarHBondContact CE-OE2 3.32Å; K43-E71 WeakPolarHBondContact CG-OE2 3.4Å; R46-E71 VanDerWaalsContact CD-O 3.26Å; R46-E71 WeakPolarHBondContact CD-O 3.48Å; R46-E71 PolarHBondContact NH1-O 2.94Å; Y67-E71 WeakPolarHBondContact O-CG 3.41Å; Y67-E71 PolarHBondContact O-N 3.09Å; T68-E71 PolarHBondContact O-N 2.77Å; A69-E71 VanDerWaalsContact C-N 3.35Å; A69-E71 PolarHBondContact O-N 2.89Å
72V97.3Very high98.1Very high0 Ų044.9 Ų44.90%024%0.236CC..Hα-helixtrans-86.6-22.4-178.8-58.50000114.3L13 A42 I45 N50 T68 A69 L201L13-V72 HydrophobicContact CD2-CG1 4.1Å; L13-V72 HydrophobicContact CD2-CG2 4.09Å; A42-V72 HydrophobicContact CB-CG1 4.49Å; A42-V72 VanDerWaalsContact O-CG1 3.31Å; A42-V72 WeakPolarHBondContact O-CG1 3.48Å; I45-V72 HydrophobicContact CG2-CG1 3.46Å; I45-V72 VanDerWaalsContact CG2-CG1 3.46Å; N50-V72 PolarHBondContact OD1-O 2.97Å; T68-V72 WeakPolarHBondContact O-CG2 3.32Å; T68-V72 PolarHBondContact O-N 3.12Å; T68-V72 VanDerWaalsContact O-N 3.08Å; A69-V72 WeakPolarHBondContact O-CG2 3.27Å; A69-V72 PolarHBondContact O-N 3.12Å; V72-L201 HydrophobicContact CG2-CD2 4.42Å
73T97.2Very high98Very high6 Ų648 Ų484%0.03725%0.247CC..SBendtrans-142171.4-176580000111.4I49 I57 A69 Y70 P75 V78 L201I49-T73 HydrophobicContact CG2-CG2 4.21Å; I57-T73 HydrophobicContact CD1-CG2 3.61Å; I57-T73 HydrophobicContact CG1-CG2 4.18Å; I57-T73 HydrophobicContact CG2-CG2 4.4Å; A69-T73 PolarHBondContact O-N 3.3Å; A69-T73 PolarHBondContact O-OG1 3.44Å; Y70-T73 CarbonylContact C-O 3.5Å; T73-P75 WeakPolarHBondContact O-CD 3.44Å; T73-V78 WeakPolarHBondContact OG1-CG2 3.21Å; T73-L201 HydrophobicContact CG2-CD2 3.87Å
74D96.2Very high98Very high93 Ų9345.3 Ų45.350%0.49724%0.235SC..  trans-67.1124.1172.9-174.5-35.8000110S76 V77D74-S76 PolarHBondContact O-N 3.24Å; D74-S76 VanDerWaalsContact O-N 3.08Å; D74-S76 WeakPolarHBondContact OD1-CB 3.39Å; D74-S76 PolarHBondContact OD1-N 2.82Å; D74-S76 PolarHBondContact OD1-OG 2.8Å; D74-V77 HydrophobicContact CB-CG2 4.19Å; D74-V77 WeakPolarHBondContact O-CG2 3.28Å; D74-V77 PolarHBondContact O-N 2.98Å; D74-V77 VanDerWaalsContact O-N 3.16Å
75P97.8Very high98Very high64 Ų6448.9 Ų48.942%0.41625%0.248SC..G310 helixtrans-55-28.7179.8-26.734.7000114.6Y70 T73 V77 V78Y70-P75 HydrophobicContact CD1-CB 3.76Å; Y70-P75 HydrophobicContact CD1-CG 4.18Å; Y70-P75 HydrophobicContact CD2-CB 4.13Å; Y70-P75 HydrophobicContact CD2-CG 4.29Å; Y70-P75 HydrophobicContact CE1-CB 3.99Å; Y70-P75 HydrophobicContact CE2-CB 4.32Å; Y70-P75 HydrophobicContact CG-CB 3.85Å; Y70-P75 HydrophobicContact CG-CG 3.88Å; T73-P75 WeakPolarHBondContact O-CD 3.44Å; P75-V77 PolarHBondContact O-N 2.89Å; P75-V78 PolarHBondContact O-N 3.31Å
76S97.9Very high97.8Very high96 Ų9649 Ų4967%0.67125%0.249SC*.G310 helixtrans-70.1-18-177.465.30000114.2D74D74-S76 PolarHBondContact O-N 3.24Å; D74-S76 VanDerWaalsContact O-N 3.08Å; D74-S76 WeakPolarHBondContact OD1-CB 3.39Å; D74-S76 PolarHBondContact OD1-N 2.82Å; D74-S76 PolarHBondContact OD1-OG 2.8Å
77V97.5Very high97.4Very high75 Ų7547.3 Ų47.346%0.45524%0.243SC..G310 helixtrans-103.40.3179.3-56.20000113.3I57 D74 P75I57-V77 HydrophobicContact CD1-CG2 3.48Å; I57-V77 VanDerWaalsContact CD1-CG2 3.48Å; D74-V77 HydrophobicContact CB-CG2 4.19Å; D74-V77 WeakPolarHBondContact O-CG2 3.28Å; D74-V77 PolarHBondContact O-N 2.98Å; D74-V77 VanDerWaalsContact O-N 3.16Å; P75-V77 PolarHBondContact O-N 2.89Å
78V98.6Very high97.2Very high17 Ų1745.4 Ų45.410%0.10324%0.238CC..EExtended strand (participates in β ladder)trans-85121.5-178.4179.50000110.5I57 A69 Y70 T73 P75 L80I57-V78 HydrophobicContact CG2-CB 4.47Å; I57-V78 HydrophobicContact CG2-CG1 4.45Å; I57-V78 HydrophobicContact CG2-CG2 3.91Å; A69-V78 HydrophobicContact CB-CG1 3.97Å; A69-V78 HydrophobicContact CB-CG2 4.2Å; Y70-V78 HydrophobicContact CD1-CB 4.27Å; Y70-V78 HydrophobicContact CD1-CG1 4.45Å; Y70-V78 HydrophobicContact CD1-CG2 4Å; Y70-V78 HydrophobicContact CE1-CB 3.92Å; Y70-V78 HydrophobicContact CE1-CG1 4.06Å; Y70-V78 HydrophobicContact CE1-CG2 4.17Å; T73-V78 WeakPolarHBondContact OG1-CG2 3.21Å; P75-V78 PolarHBondContact O-N 3.31Å; V78-L80 HydrophobicContact CG1-CD2 4.2Å
79E98.6Very high96.9Very high84 Ų8445.6 Ų45.639%0.39324%0.239SC..EExtended strand (participates in β ladder)trans-92.8126.9174.2-63.9173.9-142.700110.7I57 I58 S59 R142I57-E79 PolarHBondContact O-N 3.02Å; I58-E79 CarbonylContact C-O 3.49Å; I58-E79 WeakPolarHBondContact CA-O 3.1Å; I58-E79 HydrophobicContact CG1-CB 4.44Å; S59-E79 PolarHBondContact N-O 3.36Å; E79-R142 VanDerWaalsContact CD-NH1 3.34Å; E79-R142 IonicContact OE1-CZ 2.71Å; E79-R142 IonicContact OE1-NH1 2.69Å; E79-R142 PolarHBondContact OE1-NH1 2.83Å; E79-R142 IonicContact OE1-NH2 3.27Å; E79-R142 PolarHBondContact OE1-NH2 3.11Å; E79-R142 IonicContact OE2-CZ 3.67Å; E79-R142 IonicContact OE2-NH1 3.99Å; E79-R142 PolarHBondContact OE2-NH1 3.3Å; E79-R142 IonicContact OE2-NH2 2.62Å; E79-R142 PolarHBondContact OE2-NH2 3.14Å
80L98.8Very high96.7Very high79 Ų7946.4 Ų46.441%0.41425%0.248SC..EExtended strand (participates in β ladder)trans-88.4131.2-179.7-58-176.1000111.3S59 D61 R66 V78S59-L80 CarbonylContact O-C 3.48Å; S59-L80 WeakPolarHBondContact O-CA 3.39Å; D61-L80 HydrophobicContact CB-CB 4.12Å; D61-L80 HydrophobicContact CB-CD1 4.44Å; R66-L80 HydrophobicContact CB-CD2 4.38Å; R66-L80 HydrophobicContact CG-CD2 3.79Å; V78-L80 HydrophobicContact CG1-CD2 4.2Å
81E98.6Very high96.5Very high33 Ų3346.7 Ų46.715%0.15426%0.26CS..EExtended strand (participates in β ladder)trans-131.7118.3-178175.757.8-102.100111.2I58 S59 S60 R83 I84 F135I58-E81 HydrophobicContact CG2-CB 3.6Å; I58-E81 HydrophobicContact CG2-CG 4.36Å; S59-E81 PolarHBondContact O-N 3Å; S60-E81 WeakPolarHBondContact CA-O 3.48Å; E81-R83 VanDerWaalsContact CD-NE 3.27Å; E81-R83 HydrophobicContact CG-CB 4.25Å; E81-R83 VanDerWaalsContact OE1-CB 3.26Å; E81-R83 WeakPolarHBondContact OE1-CB 3.5Å; E81-R83 VanDerWaalsContact OE1-CG 3.25Å; E81-R83 WeakPolarHBondContact OE1-CG 3.37Å; E81-R83 IonicContact OE1-CZ 3.14Å; E81-R83 PolarHBondContact OE1-N 3.03Å; E81-R83 IonicContact OE1-NE 2.85Å; E81-R83 PolarHBondContact OE1-NE 3.43Å; E81-R83 IonicContact OE1-NH2 3.93Å; E81-R83 IonicContact OE2-CZ 3.76Å; E81-R83 IonicContact OE2-NE 2.96Å; E81-R83 PolarHBondContact OE2-NE 2.78Å; E81-R83 VanDerWaalsContact OE2-NE 3.14Å; E81-R83 IonicContact OE2-NH2 2.72Å; E81-R83 PolarHBondContact OE2-NH2 2.73Å; E81-I84 HydrophobicContact CB-CD1 4.29Å; E81-I84 HydrophobicContact CB-CG1 4.03Å; E81-I84 HydrophobicContact CG-CB 4.5Å; E81-I84 HydrophobicContact CG-CG1 4.03Å; E81-I84 HydrophobicContact CG-CG2 3.91Å; E81-I84 VanDerWaalsContact O-CG1 3.29Å; E81-I84 WeakPolarHBondContact O-CG1 3.16Å; E81-F135 HydrophobicContact CG-CD2 3.94Å; E81-F135 HydrophobicContact CG-CE2 3.96Å
82S98Very high96.3Very high61 Ų6144.9 Ų44.943%0.42725%0.252SS..G310 helixtrans-78.2-23.7-178.565.60000113I84 R85S82-I84 PolarHBondContact O-N 3.17Å; S82-R85 WeakPolarHBondContact O-CB 3.31Å; S82-R85 WeakPolarHBondContact O-CD 3.49Å; S82-R85 WeakPolarHBondContact O-CG 3.35Å; S82-R85 PolarHBondContact O-N 3.21Å
83R97.2Very high96.2Very high74 Ų7446.9 Ų46.928%0.27926%0.264SS..G310 helixtrans-70.6-10179.3-64.7175.1-67.6171.50.9113.7E81 R131 D138 W208E81-R83 VanDerWaalsContact CD-NE 3.27Å; E81-R83 HydrophobicContact CG-CB 4.25Å; E81-R83 VanDerWaalsContact OE1-CB 3.26Å; E81-R83 WeakPolarHBondContact OE1-CB 3.5Å; E81-R83 VanDerWaalsContact OE1-CG 3.25Å; E81-R83 WeakPolarHBondContact OE1-CG 3.37Å; E81-R83 IonicContact OE1-CZ 3.14Å; E81-R83 PolarHBondContact OE1-N 3.03Å; E81-R83 IonicContact OE1-NE 2.85Å; E81-R83 PolarHBondContact OE1-NE 3.43Å; E81-R83 IonicContact OE1-NH2 3.93Å; E81-R83 IonicContact OE2-CZ 3.76Å; E81-R83 IonicContact OE2-NE 2.96Å; E81-R83 PolarHBondContact OE2-NE 2.78Å; E81-R83 VanDerWaalsContact OE2-NE 3.14Å; E81-R83 IonicContact OE2-NH2 2.72Å; E81-R83 PolarHBondContact OE2-NH2 2.73Å; R83-R131 HydrophobicContact CB-CB 4.4Å; R83-R131 PolarHBondContact O-NH1 2.81Å; R83-D138 IonicContact CZ-OD2 2.75Å; R83-D138 IonicContact NH1-OD2 3.98Å; R83-D138 PolarHBondContact NH1-OD2 3.32Å; R83-D138 IonicContact NH2-OD2 2.71Å; R83-W208 PolarHBondContact O-NE1 3.38Å
84I97.6Very high96.1Very high0 Ų048.5 Ų48.50%028%0.282CS..G310 helixtrans-106.914.617869.8166.8000113.9I58 E81 S82 F135 I202 H205 W208I58-I84 HydrophobicContact CG2-CD1 3.83Å; E81-I84 HydrophobicContact CB-CD1 4.29Å; E81-I84 HydrophobicContact CB-CG1 4.03Å; E81-I84 HydrophobicContact CG-CB 4.5Å; E81-I84 HydrophobicContact CG-CG1 4.03Å; E81-I84 HydrophobicContact CG-CG2 3.91Å; E81-I84 VanDerWaalsContact O-CG1 3.29Å; E81-I84 WeakPolarHBondContact O-CG1 3.16Å; S82-I84 PolarHBondContact O-N 3.17Å; I84-F135 HydrophobicContact CG2-CD1 4.12Å; I84-F135 HydrophobicContact CG2-CD2 3.67Å; I84-F135 HydrophobicContact CG2-CE1 4.19Å; I84-F135 HydrophobicContact CG2-CE2 3.74Å; I84-F135 HydrophobicContact CG2-CG 3.86Å; I84-F135 HydrophobicContact CG2-CZ 4Å; I84-I202 HydrophobicContact CD1-CG2 3.69Å; I84-H205 PolarHBondContact O-CD2 3.34Å; I84-W208 HydrophobicContact CB-CD2 3.74Å; I84-W208 HydrophobicContact CB-CE3 4.03Å; I84-W208 HydrophobicContact CB-CG 4.29Å; I84-W208 HydrophobicContact CB-CH2 4.18Å; I84-W208 HydrophobicContact CB-CZ2 3.89Å; I84-W208 HydrophobicContact CB-CZ3 4.25Å; I84-W208 HydrophobicContact CG2-CD2 4.07Å; I84-W208 VanDerWaalsContact CG2-CE2 3.45Å; I84-W208 HydrophobicContact CG2-CE3 4.39Å; I84-W208 HydrophobicContact CG2-CH2 3.63Å; I84-W208 HydrophobicContact CG2-CZ2 3.22Å; I84-W208 HydrophobicContact CG2-CZ3 4.2Å
85R97.4Very high96Very high74 Ų7450.1 Ų50.128%0.27928%0.281SS..SBendtrans-59.9159.3170-72.5175178.9176.6-2.6112.1D61 L62 S82 R131 W208D61-R85 WeakPolarHBondContact OD1-CG 3.29Å; D61-R85 IonicContact OD1-CZ 3.45Å; D61-R85 IonicContact OD1-NE 2.63Å; D61-R85 PolarHBondContact OD1-NE 3.3Å; D61-R85 IonicContact OD1-NH2 2.67Å; D61-R85 PolarHBondContact OD1-NH2 3.39Å; D61-R85 IonicContact OD2-CZ 3.41Å; D61-R85 VanDerWaalsContact OD2-CZ 3.3Å; D61-R85 IonicContact OD2-NE 2.7Å; D61-R85 PolarHBondContact OD2-NE 3.32Å; D61-R85 IonicContact OD2-NH2 3.88Å; D61-R85 PolarHBondContact OD2-NH2 3.15Å; L62-R85 HydrophobicContact CD1-CB 4.16Å; L62-R85 HydrophobicContact CD1-CG 3.97Å; L62-R85 HydrophobicContact CG-CG 4Å; S82-R85 WeakPolarHBondContact O-CB 3.31Å; S82-R85 WeakPolarHBondContact O-CD 3.49Å; S82-R85 WeakPolarHBondContact O-CG 3.35Å; S82-R85 PolarHBondContact O-N 3.21Å; R85-R131 VanDerWaalsContact O-CZ 3.27Å; R85-R131 PolarHBondContact O-NH1 3.31Å; R85-R131 PolarHBondContact O-NH2 2.95Å; R85-W208 WeakPolarHBondContact O-CB 3.09Å
86E94.6Very high95.8Very high2 Ų249.6 Ų49.61%0.00928%0.278CS..PPolyproline II helixtrans-55.7161.1167.2-170.547.1-96.700111.3H29 N88 F89 R131 H205 G207H29-E86 PolarHBondContact CD2-O 2.88Å; H29-E86 PolarHBondContact NE2-O 3.13Å; E86-N88 PolarHBondContact O-N 3.23Å; E86-F89 HydrophobicContact CG-CE2 4.01Å; E86-R131 PolarHBondContact O-NH2 3.39Å; E86-H205 HydrophobicContact CB-CB 3.7Å; E86-H205 HydrophobicContact CG-CB 4.28Å; E86-H205 PolarHBondContact N-CD2 3.41Å; E86-H205 WeakPolarHBondContact OE2-CB 3.47Å; E86-G207 VanDerWaalsContact OE1-CA 3.28Å; E86-G207 WeakPolarHBondContact OE1-CA 3.5Å; E86-G207 WeakPolarHBondContact OE2-CA 3.29Å; E86-G207 PolarHBondContact OE2-N 3.27Å
87R91.2Very high94.9Very high22 Ų2246.3 Ų46.38%0.08325%0.251CS..PPolyproline II helixtrans-49.9135.8169.8178.1176.7-66.5-147.2-4110.4G28 F89 E123 T125 M128G28-R87 WeakPolarHBondContact CA-O 3.27Å; R87-F89 HydrophobicContact CB-CD2 4.39Å; R87-F89 HydrophobicContact CB-CE2 3.94Å; R87-F89 HydrophobicContact CB-CZ 4.09Å; R87-F89 HydrophobicContact CG-CE1 4.49Å; R87-F89 HydrophobicContact CG-CE2 4.43Å; R87-F89 HydrophobicContact CG-CZ 4.39Å; R87-F89 WeakPolarHBondContact O-CD2 3.37Å; R87-F89 WeakPolarHBondContact O-CE2 3.39Å; R87-F89 PolarHBondContact O-N 2.91Å; R87-E123 WeakPolarHBondContact CA-OE2 3.04Å; R87-E123 HydrophobicContact CG-CB 4.34Å; R87-T125 PolarHBondContact NH1-OG1 3.42Å; R87-T125 PolarHBondContact NH2-OG1 2.87Å; R87-M128 HydrophobicContact CB-CE 4.2Å; R87-M128 HydrophobicContact CB-SD 3.96Å; R87-M128 HydrophobicContact CG-SD 4.43Å
88N93Very high94.4Very high48 Ų4846.2 Ų46.226%0.25725%0.253SS..  trans-72.2114.6165.3177.79.8000109.6E86 G90 G121 G122 E123E86-N88 PolarHBondContact O-N 3.23Å; N88-G90 VanDerWaalsContact C-N 3.33Å; N88-G90 PolarHBondContact OD1-N 2.78Å; N88-G121 PolarHBondContact ND2-O 3.13Å; N88-G121 VanDerWaalsContact ND2-O 3.1Å; N88-G122 CarbonylContact O-C 3.57Å; N88-G122 VanDerWaalsContact O-CA 3.22Å; N88-G122 WeakPolarHBondContact O-CA 3.47Å; N88-E123 HydrophobicContact CB-CB 3.79Å; N88-E123 PolarHBondContact O-N 2.78Å
89F92Very high93.9Very high4 Ų448.9 Ų48.92%0.01827%0.265CS..  trans-89.14.2179.4-71.9-85.7000113.7I26 E86 R87 S91 L92 V100 W117 D350I26-F89 HydrophobicContact CG2-CB 3.94Å; I26-F89 HydrophobicContact CG2-CD1 3.66Å; I26-F89 HydrophobicContact CG2-CD2 3.25Å; I26-F89 HydrophobicContact CG2-CE1 3.91Å; I26-F89 HydrophobicContact CG2-CE2 3.51Å; I26-F89 HydrophobicContact CG2-CG 3.33Å; I26-F89 HydrophobicContact CG2-CZ 3.83Å; E86-F89 HydrophobicContact CG-CE2 4.01Å; R87-F89 HydrophobicContact CB-CD2 4.39Å; R87-F89 HydrophobicContact CB-CE2 3.94Å; R87-F89 HydrophobicContact CB-CZ 4.09Å; R87-F89 HydrophobicContact CG-CE1 4.49Å; R87-F89 HydrophobicContact CG-CE2 4.43Å; R87-F89 HydrophobicContact CG-CZ 4.39Å; R87-F89 WeakPolarHBondContact O-CD2 3.37Å; R87-F89 WeakPolarHBondContact O-CE2 3.39Å; R87-F89 PolarHBondContact O-N 2.91Å; F89-S91 PolarHBondContact O-N 3.47Å; F89-L92 HydrophobicContact CB-CB 4.4Å; F89-L92 WeakPolarHBondContact O-CB 3.15Å; F89-L92 PolarHBondContact O-N 3.17Å; F89-L92 VanDerWaalsContact O-N 3.11Å; F89-V100 HydrophobicContact CD1-CG1 4.5Å; F89-V100 HydrophobicContact CD1-CG2 4.38Å; F89-V100 HydrophobicContact CE1-CG1 4.32Å; F89-W117 HydrophobicContact CB-CZ3 4.48Å; F89-W117 AromaticContact CD1-CH2 3.47Å; F89-W117 HydrophobicContact CD1-CH2 3.47Å; F89-W117 VanDerWaalsContact CD1-CH2 3.47Å; F89-W117 AromaticContact CD1-CZ3 3.53Å; F89-W117 HydrophobicContact CD1-CZ3 3.53Å; F89-W117 AromaticContact CE1-CH2 3.75Å; F89-W117 HydrophobicContact CE1-CH2 3.75Å; F89-W117 HydrophobicContact CE1-CZ2 4.46Å; F89-W117 HydrophobicContact CE1-CZ3 4.26Å; F89-W117 HydrophobicContact CG-CZ3 4.43Å; F89-D350 WeakPolarHBondContact CZ-O 3.22Å
90G94.3Very high93.3Very high17 Ų1745 Ų4518%0.17525%0.246CC..G310 helixtrans58.1-134.2179.500000111.5N88 L92 T93 I120 G121N88-G90 VanDerWaalsContact C-N 3.33Å; N88-G90 PolarHBondContact OD1-N 2.78Å; G90-L92 PolarHBondContact O-N 2.95Å; G90-L92 VanDerWaalsContact O-N 3.11Å; G90-T93 VanDerWaalsContact O-CB 3.26Å; G90-T93 WeakPolarHBondContact O-CB 3.14Å; G90-T93 PolarHBondContact O-N 3.37Å; G90-T93 PolarHBondContact O-OG1 2.93Å; G90-I120 CarbonylContact C-O 3.57Å; G90-I120 VanDerWaalsContact CA-O 3.28Å; G90-I120 WeakPolarHBondContact CA-O 3.32Å; G90-G121 WeakPolarHBondContact CA-O 3.35Å
91S95.9Very high92.5Very high75 Ų7544.6 Ų44.652%0.52424%0.243SC..G310 helixtrans-65.4-9.917972.60000115F89 I120F89-S91 PolarHBondContact O-N 3.47Å; S91-I120 PolarHBondContact N-O 2.87Å
92L93.3Very high91.7Very high18 Ų1848.8 Ų48.89%0.09426%0.262CS..G310 helixtrans-89.1-2.7173.6-64.6174.4000113.1F89 G90 G94 R95 E99 V100 F103 W117 I120F89-L92 HydrophobicContact CB-CB 4.4Å; F89-L92 WeakPolarHBondContact O-CB 3.15Å; F89-L92 PolarHBondContact O-N 3.17Å; F89-L92 VanDerWaalsContact O-N 3.11Å; G90-L92 PolarHBondContact O-N 2.95Å; G90-L92 VanDerWaalsContact O-N 3.11Å; L92-G94 PolarHBondContact O-N 3.49Å; L92-R95 HydrophobicContact CD2-CG 4.21Å; L92-R95 VanDerWaalsContact O-CB 3.26Å; L92-R95 WeakPolarHBondContact O-CB 3.42Å; L92-R95 WeakPolarHBondContact O-CG 3.05Å; L92-R95 PolarHBondContact O-N 2.89Å; L92-R95 VanDerWaalsContact O-N 3.11Å; L92-E99 HydrophobicContact CD2-CB 4.49Å; L92-V100 HydrophobicContact CB-CG2 3.85Å; L92-V100 HydrophobicContact CD1-CG2 3.92Å; L92-V100 HydrophobicContact CG-CG2 4.39Å; L92-F103 HydrophobicContact CD1-CB 3.71Å; L92-F103 HydrophobicContact CD1-CD1 3.73Å; L92-F103 HydrophobicContact CD1-CD2 4.05Å; L92-F103 HydrophobicContact CD1-CE1 4.32Å; L92-F103 HydrophobicContact CD1-CG 3.56Å; L92-W117 HydrophobicContact CD1-CZ3 4.25Å; L92-I120 HydrophobicContact CB-CD1 4.3Å; L92-I120 HydrophobicContact CD1-CD1 3.51Å; L92-I120 HydrophobicContact CG-CD1 3.66Å
93T95.2Very high91.1Very high42 Ų4247.4 Ų47.426%0.25825%0.248SC..THydrogen-bonded Turntrans-59.6131.9169.1-58.90000110.3Q27 L30 G90 R95Q27-T93 WeakPolarHBondContact O-CG2 3.34Å; L30-T93 HydrophobicContact CB-CG2 3.95Å; G90-T93 VanDerWaalsContact O-CB 3.26Å; G90-T93 WeakPolarHBondContact O-CB 3.14Å; G90-T93 PolarHBondContact O-N 3.37Å; G90-T93 PolarHBondContact O-OG1 2.93Å; T93-R95 VanDerWaalsContact C-N 3.26Å; T93-R95 PolarHBondContact O-N 3.47Å
94G94.6Very high90.2Very high40 Ų4044.1 Ų44.141%0.41224%0.237SC..THydrogen-bonded Turntrans776.9-176.200000114.4I26 L92I26-G94 WeakPolarHBondContact O-CA 3.3Å; I26-G94 PolarHBondContact O-N 3.35Å; L92-G94 PolarHBondContact O-N 3.49Å
95R94.6Very high89.2Confident127 Ų12747.5 Ų47.548%0.47925%0.252SS..SBendtrans-93.2155.6177.6-59.7-63.4179.8170.4-2.6111.9I26 L92 T93 E99I26-R95 PolarHBondContact N-O 3.07Å; L92-R95 HydrophobicContact CD2-CG 4.21Å; L92-R95 VanDerWaalsContact O-CB 3.26Å; L92-R95 WeakPolarHBondContact O-CB 3.42Å; L92-R95 WeakPolarHBondContact O-CG 3.05Å; L92-R95 PolarHBondContact O-N 2.89Å; L92-R95 VanDerWaalsContact O-N 3.11Å; T93-R95 VanDerWaalsContact C-N 3.26Å; T93-R95 PolarHBondContact O-N 3.47Å; R95-E99 HydrophobicContact CB-CB 4.43Å
96P91.9Very high88.5Confident54 Ų5447 Ų4735%0.35126%0.255SS..BIsolated β-bridgetrans-55.3142.3169.5-23.333.6000111.6S98 E99P96-S98 PolarHBondContact O-N 3.26Å; P96-S98 VanDerWaalsContact O-N 3.16Å; P96-E99 WeakPolarHBondContact CD-OE1 3.27Å; P96-E99 WeakPolarHBondContact O-CB 3.48Å; P96-E99 PolarHBondContact O-N 2.94Å
97R80.6Confident87.8Confident27 Ų2747.3 Ų47.310%0.10226%0.256CS..Hα-helixtrans-53.8-35177177.2175.9171.9-137.2-2.7113.9Q24 I26 E99 V100 Q101 D347Q24-R97 HydrophobicContact CB-CB 4.41Å; Q24-R97 WeakPolarHBondContact O-CB 3.49Å; Q24-R97 PolarHBondContact O-N 3.05Å; I26-R97 HydrophobicContact CD1-CB 4.28Å; I26-R97 HydrophobicContact CD1-CG 4.33Å; I26-R97 HydrophobicContact CG1-CB 4.25Å; R97-E99 PolarHBondContact O-N 3.1Å; R97-V100 PolarHBondContact O-N 2.72Å; R97-V100 VanDerWaalsContact O-N 3.15Å; R97-Q101 HydrophobicContact CG-CG 4.5Å; R97-Q101 WeakPolarHBondContact O-CG 3.48Å; R97-Q101 PolarHBondContact O-N 2.95Å; R97-D347 IonicContact CZ-OD1 3.67Å; R97-D347 IonicContact CZ-OD2 3.64Å; R97-D347 VanDerWaalsContact NE-CG 3.29Å; R97-D347 PolarHBondContact NE-O 2.85Å; R97-D347 IonicContact NE-OD1 3.77Å; R97-D347 IonicContact NE-OD2 3.82Å; R97-D347 PolarHBondContact NE-OD2 2.95Å; R97-D347 PolarHBondContact NH1-O 3.4Å; R97-D347 VanDerWaalsContact NH2-N 3.13Å; R97-D347 PolarHBondContact NH2-O 3.27Å; R97-D347 IonicContact NH2-OD2 2.89Å; R97-D347 PolarHBondContact NH2-OD2 3.05Å
98S85.7Confident86.8Confident72 Ų7250.7 Ų50.750%0.50327%0.272SS..Hα-helixtrans-58.9-33.8176.751.30000112.7P96 Q101 Q102P96-S98 PolarHBondContact O-N 3.26Å; P96-S98 VanDerWaalsContact O-N 3.16Å; S98-Q101 PolarHBondContact O-N 3.34Å; S98-Q102 WeakPolarHBondContact O-CB 3.21Å; S98-Q102 PolarHBondContact O-N 2.94Å
99E89.2Confident86Confident74 Ų7455.6 Ų55.635%0.34629%0.291SS..Hα-helixtrans-69.4-38.3176.4-67-173.9-150.900111.7L92 R95 P96 R97 Q102 F103L92-E99 HydrophobicContact CD2-CB 4.49Å; R95-E99 HydrophobicContact CB-CB 4.43Å; P96-E99 WeakPolarHBondContact CD-OE1 3.27Å; P96-E99 WeakPolarHBondContact O-CB 3.48Å; P96-E99 PolarHBondContact O-N 2.94Å; R97-E99 PolarHBondContact O-N 3.1Å; E99-Q102 PolarHBondContact O-N 3.31Å; E99-F103 WeakPolarHBondContact O-CB 3.37Å; E99-F103 PolarHBondContact O-N 3.23Å
100V86Confident85.3Confident1 Ų163.1 Ų63.11%0.00632%0.319CS..Hα-helixtrans-65.4-41.6173.5171.50000111.4I26 F89 L92 R97 Q102 F103 T104 W117 Y352I26-V100 HydrophobicContact CB-CG2 4.29Å; I26-V100 HydrophobicContact CD1-CG2 4.48Å; I26-V100 HydrophobicContact CG1-CB 4.36Å; I26-V100 HydrophobicContact CG1-CG2 3.78Å; I26-V100 HydrophobicContact CG2-CG2 4.32Å; F89-V100 HydrophobicContact CD1-CG1 4.5Å; F89-V100 HydrophobicContact CD1-CG2 4.38Å; F89-V100 HydrophobicContact CE1-CG1 4.32Å; L92-V100 HydrophobicContact CB-CG2 3.85Å; L92-V100 HydrophobicContact CD1-CG2 3.92Å; L92-V100 HydrophobicContact CG-CG2 4.39Å; R97-V100 PolarHBondContact O-N 2.72Å; R97-V100 VanDerWaalsContact O-N 3.15Å; V100-Q102 VanDerWaalsContact C-N 3.33Å; V100-Q102 PolarHBondContact O-N 3.19Å; V100-F103 PolarHBondContact O-N 3.13Å; V100-T104 WeakPolarHBondContact O-CG2 3.22Å; V100-T104 PolarHBondContact O-N 2.93Å; V100-T104 PolarHBondContact O-OG1 3.44Å; V100-W117 HydrophobicContact CG1-CH2 3.71Å; V100-W117 HydrophobicContact CG1-CZ2 4.36Å; V100-Y352 HydrophobicContact CG1-CG 4.34Å
101Q81Confident84.3Confident72 Ų7264.6 Ų64.634%0.33633%0.334SS..Hα-helixtrans-60.2-44174.8-70.91721.400111.5R97 S98 T104 E105 Y352R97-Q101 HydrophobicContact CG-CG 4.5Å; R97-Q101 WeakPolarHBondContact O-CG 3.48Å; R97-Q101 PolarHBondContact O-N 2.95Å; S98-Q101 PolarHBondContact O-N 3.34Å; Q101-T104 PolarHBondContact O-OG1 3.16Å; Q101-E105 WeakPolarHBondContact O-CB 3.29Å; Q101-E105 PolarHBondContact O-N 3.49Å; Q101-Y352 HydrophobicContact CB-CD2 4.24Å; Q101-Y352 HydrophobicContact CB-CE2 4.07Å; Q101-Y352 HydrophobicContact CG-CD2 3.65Å; Q101-Y352 HydrophobicContact CG-CE2 3.83Å
102Q83.2Confident83Confident120 Ų12065.7 Ų65.756%0.56133%0.328SS*.Hα-helixtrans-65.2-44.8177.1-173.9-179.44.800111.9S98 E99 V100 T104 E105 I106S98-Q102 WeakPolarHBondContact O-CB 3.21Å; S98-Q102 PolarHBondContact O-N 2.94Å; E99-Q102 PolarHBondContact O-N 3.31Å; V100-Q102 VanDerWaalsContact C-N 3.33Å; V100-Q102 PolarHBondContact O-N 3.19Å; Q102-T104 VanDerWaalsContact C-N 3.34Å; Q102-T104 PolarHBondContact O-N 3.45Å; Q102-E105 PolarHBondContact O-N 2.93Å; Q102-I106 HydrophobicContact CG-CD1 3.85Å; Q102-I106 HydrophobicContact CG-CG1 4.5Å; Q102-I106 WeakPolarHBondContact O-CB 3.5Å; Q102-I106 VanDerWaalsContact O-CG1 3.25Å; Q102-I106 WeakPolarHBondContact O-CG1 3.44Å; Q102-I106 PolarHBondContact O-N 3.39Å
103F84.7Confident81.9Confident33 Ų3368.4 Ų68.415%0.14534%0.34CS..Hα-helixtrans-56.2-49178.1169.9-99.8000111.7L92 E99 V100 I106 N107 W117 I120L92-F103 HydrophobicContact CD1-CB 3.71Å; L92-F103 HydrophobicContact CD1-CD1 3.73Å; L92-F103 HydrophobicContact CD1-CD2 4.05Å; L92-F103 HydrophobicContact CD1-CE1 4.32Å; L92-F103 HydrophobicContact CD1-CG 3.56Å; E99-F103 WeakPolarHBondContact O-CB 3.37Å; E99-F103 PolarHBondContact O-N 3.23Å; V100-F103 PolarHBondContact O-N 3.13Å; F103-I106 PolarHBondContact O-N 3.28Å; F103-N107 WeakPolarHBondContact CD2-ND2 3.34Å; F103-N107 WeakPolarHBondContact CE1-ND2 3.21Å; F103-N107 WeakPolarHBondContact CE2-ND2 3.35Å; F103-N107 WeakPolarHBondContact CZ-ND2 3.46Å; F103-N107 WeakPolarHBondContact O-CB 3.19Å; F103-N107 PolarHBondContact O-N 3.18Å; F103-N107 PolarHBondContact O-ND2 2.89Å; F103-W117 HydrophobicContact CD1-CH2 4.26Å; F103-W117 HydrophobicContact CD1-CZ2 4.48Å; F103-W117 HydrophobicContact CD1-CZ3 4.25Å; F103-W117 AromaticContact CE1-CD2 3.94Å; F103-W117 HydrophobicContact CE1-CD2 3.94Å; F103-W117 AromaticContact CE1-CE3 3.81Å; F103-W117 HydrophobicContact CE1-CE3 3.81Å; F103-W117 HydrophobicContact CE1-CH2 4.31Å; F103-W117 HydrophobicContact CE1-CZ2 4.42Å; F103-W117 AromaticContact CE1-CZ3 3.99Å; F103-W117 HydrophobicContact CE1-CZ3 3.99Å; F103-I120 HydrophobicContact CD2-CD1 4.48Å; F103-I120 HydrophobicContact CE1-CD1 3.91Å; F103-I120 HydrophobicContact CE1-CG1 4.5Å; F103-I120 HydrophobicContact CE2-CD1 3.87Å; F103-I120 HydrophobicContact CE2-CG1 4.21Å; F103-I120 HydrophobicContact CE2-CG2 3.66Å; F103-I120 HydrophobicContact CZ-CD1 3.53Å; F103-I120 HydrophobicContact CZ-CG1 3.78Å; F103-I120 HydrophobicContact CZ-CG2 4.06Å
104T77.6Confident80.9Confident5 Ų567.2 Ų67.23%0.03133%0.333CS..Hα-helixtrans-68.5-40.2-179.6480000112.7V100 Q101 Q102 I106 N107 F108 W117 Y352V100-T104 WeakPolarHBondContact O-CG2 3.22Å; V100-T104 PolarHBondContact O-N 2.93Å; V100-T104 PolarHBondContact O-OG1 3.44Å; Q101-T104 PolarHBondContact O-OG1 3.16Å; Q102-T104 VanDerWaalsContact C-N 3.34Å; Q102-T104 PolarHBondContact O-N 3.45Å; T104-I106 VanDerWaalsContact C-N 3.35Å; T104-I106 PolarHBondContact O-N 3.28Å; T104-N107 PolarHBondContact O-N 2.99Å; T104-F108 VanDerWaalsContact O-CB 3.29Å; T104-F108 WeakPolarHBondContact O-CB 3.34Å; T104-F108 PolarHBondContact O-N 2.85Å; T104-W117 HydrophobicContact CG2-CH2 4.24Å; T104-W117 HydrophobicContact CG2-CZ2 3.55Å; T104-Y352 HydrophobicContact CG2-CD1 3.56Å; T104-Y352 HydrophobicContact CG2-CE1 3.56Å; T104-Y352 HydrophobicContact CG2-CG 4.18Å; T104-Y352 WeakPolarHBondContact OG1-CE1 3.4Å; T104-Y352 WeakPolarHBondContact OG1-CE2 3.47Å; T104-Y352 PolarHBondContact OG1-OH 3.45Å
105E77.5Confident79.9Confident71 Ų7167 Ų6733%0.33232%0.322SS..Hα-helixtrans-61.6-42.4174-174.5-179.617500111.9Q101 Q102 K109 P356Q101-E105 WeakPolarHBondContact O-CB 3.29Å; Q101-E105 PolarHBondContact O-N 3.49Å; Q102-E105 PolarHBondContact O-N 2.93Å; E105-K109 HydrophobicContact CG-CD 4.35Å; E105-K109 WeakPolarHBondContact O-CG 3.13Å; E105-K109 PolarHBondContact O-N 2.65Å; E105-K109 VanDerWaalsContact O-N 3.09Å; E105-K109 WeakPolarHBondContact OE1-CE 2.88Å; E105-K109 IonicContact OE1-NZ 3.29Å; E105-K109 PolarHBondContact OE1-NZ 2.88Å; E105-P356 HydrophobicContact CG-CG 4.18Å
106I81.3Confident79.3Confident63 Ų6361 Ų6132%0.32330%0.3SS..Hα-helixtrans-62.2-46.3175.7-71.4168.3000110.4Q102 F103 T104 K109 R110Q102-I106 HydrophobicContact CG-CD1 3.85Å; Q102-I106 HydrophobicContact CG-CG1 4.5Å; Q102-I106 WeakPolarHBondContact O-CB 3.5Å; Q102-I106 VanDerWaalsContact O-CG1 3.25Å; Q102-I106 WeakPolarHBondContact O-CG1 3.44Å; Q102-I106 PolarHBondContact O-N 3.39Å; F103-I106 PolarHBondContact O-N 3.28Å; T104-I106 VanDerWaalsContact C-N 3.35Å; T104-I106 PolarHBondContact O-N 3.28Å; I106-K109 PolarHBondContact O-N 3.43Å; I106-R110 WeakPolarHBondContact O-CB 3.34Å; I106-R110 WeakPolarHBondContact O-CG 3.25Å; I106-R110 PolarHBondContact O-N 3.1Å
107N79.8Confident79.1Confident9 Ų958.5 Ų58.55%0.04828%0.284CS..Hα-helixtrans-71.4-35.5-176.3-67.9-24.7000112.9F103 T104 R110 G111 Y112 D115F103-N107 WeakPolarHBondContact CD2-ND2 3.34Å; F103-N107 WeakPolarHBondContact CE1-ND2 3.21Å; F103-N107 WeakPolarHBondContact CE2-ND2 3.35Å; F103-N107 WeakPolarHBondContact CZ-ND2 3.46Å; F103-N107 WeakPolarHBondContact O-CB 3.19Å; F103-N107 PolarHBondContact O-N 3.18Å; F103-N107 PolarHBondContact O-ND2 2.89Å; T104-N107 PolarHBondContact O-N 2.99Å; N107-R110 PolarHBondContact O-N 3.45Å; N107-G111 PolarHBondContact O-N 2.97Å; N107-Y112 HydrophobicContact CB-CD2 3.9Å; N107-Y112 PolarHBondContact O-N 3.04Å; N107-Y112 VanDerWaalsContact O-N 3.14Å; N107-Y112 WeakPolarHBondContact OD1-CD2 3.47Å; N107-Y112 WeakPolarHBondContact OD1-CE2 3.36Å; N107-D115 VanDerWaalsContact CB-O 3.26Å; N107-D115 WeakPolarHBondContact CB-O 3.3Å; N107-D115 PolarHBondContact ND2-O 3.12Å
108F72Confident79.4Confident93 Ų9363.2 Ų63.241%0.40830%0.302SS..Hα-helixtrans-59.3-50.2171.2178.8-96.8000111T104 R110 G111T104-F108 VanDerWaalsContact O-CB 3.29Å; T104-F108 WeakPolarHBondContact O-CB 3.34Å; T104-F108 PolarHBondContact O-N 2.85Å; F108-R110 VanDerWaalsContact C-N 3.27Å; F108-R110 PolarHBondContact O-N 3.34Å; F108-G111 PolarHBondContact O-N 3.33Å; F108-G111 VanDerWaalsContact O-N 3.1Å
109K75.2Confident79.6Confident150 Ų15065.9 Ų65.965%0.65231%0.31SS*.Hα-helixtrans-61.4-34.1177.8-75.1172.4-179.7166.70113.2E105 I106 G111E105-K109 HydrophobicContact CG-CD 4.35Å; E105-K109 WeakPolarHBondContact O-CG 3.13Å; E105-K109 PolarHBondContact O-N 2.65Å; E105-K109 VanDerWaalsContact O-N 3.09Å; E105-K109 WeakPolarHBondContact OE1-CE 2.88Å; E105-K109 IonicContact OE1-NZ 3.29Å; E105-K109 PolarHBondContact OE1-NZ 2.88Å; I106-K109 PolarHBondContact O-N 3.43Å; K109-G111 VanDerWaalsContact C-N 3.32Å
110R78.6Confident79.7Confident162 Ų16264.1 Ų64.161%0.61130%0.303SS*.Hα-helixtrans-80.7-12178.2-72.1177.6178.2-174.86.2113.5I106 N107 F108 Y112I106-R110 WeakPolarHBondContact O-CB 3.34Å; I106-R110 WeakPolarHBondContact O-CG 3.25Å; I106-R110 PolarHBondContact O-N 3.1Å; N107-R110 PolarHBondContact O-N 3.45Å; F108-R110 VanDerWaalsContact C-N 3.27Å; F108-R110 PolarHBondContact O-N 3.34Å; R110-Y112 VanDerWaalsContact C-N 3.3Å; R110-Y112 HydrophobicContact CB-CD2 3.78Å; R110-Y112 HydrophobicContact CB-CE2 3.76Å; R110-Y112 HydrophobicContact CB-CG 4.4Å; R110-Y112 HydrophobicContact CG-CE2 4.16Å; R110-Y112 PolarHBondContact NH1-OH 2.94Å; R110-Y112 PolarHBondContact O-N 2.63Å
111G72.4Confident80.1Confident48 Ų4866.4 Ų66.450%0.49533%0.327SS..THydrogen-bonded Turntrans64.633-175.900000113N107 F108 K109N107-G111 PolarHBondContact O-N 2.97Å; F108-G111 PolarHBondContact O-N 3.33Å; F108-G111 VanDerWaalsContact O-N 3.1Å; K109-G111 VanDerWaalsContact C-N 3.32Å
112Y68.5Low80.6Confident98 Ų9863.2 Ų63.238%0.38431%0.313SS..  trans-65.4139175.1-75.1-59.7000110.7N107 R110 D115N107-Y112 HydrophobicContact CB-CD2 3.9Å; N107-Y112 PolarHBondContact O-N 3.04Å; N107-Y112 VanDerWaalsContact O-N 3.14Å; N107-Y112 WeakPolarHBondContact OD1-CD2 3.47Å; N107-Y112 WeakPolarHBondContact OD1-CE2 3.36Å; R110-Y112 VanDerWaalsContact C-N 3.3Å; R110-Y112 HydrophobicContact CB-CD2 3.78Å; R110-Y112 HydrophobicContact CB-CE2 3.76Å; R110-Y112 HydrophobicContact CB-CG 4.4Å; R110-Y112 HydrophobicContact CG-CE2 4.16Å; R110-Y112 PolarHBondContact NH1-OH 2.94Å; R110-Y112 PolarHBondContact O-N 2.63Å; Y112-D115 PolarHBondContact O-N 2.93Å
113E70.6Confident80.9Confident75 Ų7558 Ų5835%0.3529%0.288SS..G310 helixtrans-59.8141.2172-164.2-170.2151.200110.9D115 G116 I289 Q290 C291E113-D115 PolarHBondContact O-N 3.45Å; E113-D115 VanDerWaalsContact O-N 3.11Å; E113-G116 PolarHBondContact O-N 2.96Å; E113-G116 VanDerWaalsContact O-N 3.08Å; E113-I289 HydrophobicContact CG-CG2 4.01Å; E113-I289 WeakPolarHBondContact OE1-CG2 3.14Å; E113-Q290 PolarHBondContact OE1-N 3.41Å; E113-Q290 PolarHBondContact OE2-N 2.99Å; E113-C291 WeakPolarHBondContact OE1-CA 3.24Å; E113-C291 WeakPolarHBondContact OE1-CB 2.98Å; E113-C291 PolarHBondContact OE1-N 3.31Å
114C74.1Confident80.8Confident17 Ų1756.4 Ų56.412%0.11528%0.282CS..G310 helixtrans54.631.3178-76.90000113.2G116 W117 C124 H126 C291C114-G116 PolarHBondContact O-N 3.29Å; C114-W117 VanDerWaalsContact O-CD1 3.23Å; C114-W117 PolarHBondContact O-N 3.48Å; C114-C124 HydrophobicContact CB-CB 3.54Å; C114-H126 PolarHBondContact SG-ND1 2.83Å; C114-C291 VanDerWaalsContact SG-CB 3.59Å
115D73.1Confident80.9Confident35 Ų3556.3 Ų56.319%0.18728%0.281CS..G310 helixtrans52.923.1-176.8-46.7-50.2000114.2N107 Y112 E113 W117N107-D115 VanDerWaalsContact CB-O 3.26Å; N107-D115 WeakPolarHBondContact CB-O 3.3Å; N107-D115 PolarHBondContact ND2-O 3.12Å; Y112-D115 PolarHBondContact O-N 2.93Å; E113-D115 PolarHBondContact O-N 3.45Å; E113-D115 VanDerWaalsContact O-N 3.11Å; D115-W117 PolarHBondContact O-N 3.31Å
116G82.8Confident81.1Confident2 Ų253.4 Ų53.42%0.02127%0.268CS..G310 helixtrans73.41.4179.700000115.9E113 C114 R118 N119E113-G116 PolarHBondContact O-N 2.96Å; E113-G116 VanDerWaalsContact O-N 3.08Å; C114-G116 PolarHBondContact O-N 3.29Å; G116-R118 VanDerWaalsContact C-N 3.27Å; G116-R118 PolarHBondContact O-N 3.41Å; G116-N119 WeakPolarHBondContact O-CB 3.46Å; G116-N119 PolarHBondContact O-N 3.02Å
117W86.7Confident81.2Confident2 Ų253.1 Ų53.11%0.00827%0.265CS..G310 helixtrans-53-42-175-74.6110.6000113.7F89 L92 V100 F103 T104 C114 D115 N119 I120 G122 C124F89-W117 HydrophobicContact CB-CZ3 4.48Å; F89-W117 AromaticContact CD1-CH2 3.47Å; F89-W117 HydrophobicContact CD1-CH2 3.47Å; F89-W117 VanDerWaalsContact CD1-CH2 3.47Å; F89-W117 AromaticContact CD1-CZ3 3.53Å; F89-W117 HydrophobicContact CD1-CZ3 3.53Å; F89-W117 AromaticContact CE1-CH2 3.75Å; F89-W117 HydrophobicContact CE1-CH2 3.75Å; F89-W117 HydrophobicContact CE1-CZ2 4.46Å; F89-W117 HydrophobicContact CE1-CZ3 4.26Å; F89-W117 HydrophobicContact CG-CZ3 4.43Å; L92-W117 HydrophobicContact CD1-CZ3 4.25Å; V100-W117 HydrophobicContact CG1-CH2 3.71Å; V100-W117 HydrophobicContact CG1-CZ2 4.36Å; F103-W117 HydrophobicContact CD1-CH2 4.26Å; F103-W117 HydrophobicContact CD1-CZ2 4.48Å; F103-W117 HydrophobicContact CD1-CZ3 4.25Å; F103-W117 AromaticContact CE1-CD2 3.94Å; F103-W117 HydrophobicContact CE1-CD2 3.94Å; F103-W117 AromaticContact CE1-CE3 3.81Å; F103-W117 HydrophobicContact CE1-CE3 3.81Å; F103-W117 HydrophobicContact CE1-CH2 4.31Å; F103-W117 HydrophobicContact CE1-CZ2 4.42Å; F103-W117 AromaticContact CE1-CZ3 3.99Å; F103-W117 HydrophobicContact CE1-CZ3 3.99Å; T104-W117 HydrophobicContact CG2-CH2 4.24Å; T104-W117 HydrophobicContact CG2-CZ2 3.55Å; C114-W117 VanDerWaalsContact O-CD1 3.23Å; C114-W117 PolarHBondContact O-N 3.48Å; D115-W117 PolarHBondContact O-N 3.31Å; W117-N119 VanDerWaalsContact C-N 3.25Å; W117-N119 PolarHBondContact O-N 3.36Å; W117-I120 HydrophobicContact CE3-CD1 4.01Å; W117-I120 HydrophobicContact CZ3-CD1 4.13Å; W117-I120 WeakPolarHBondContact O-CG1 2.87Å; W117-I120 PolarHBondContact O-N 2.75Å; W117-G122 CarbonylContact C-O 3.49Å; W117-G122 VanDerWaalsContact O-CA 3.32Å; W117-G122 WeakPolarHBondContact O-CA 2.99Å; W117-G122 PolarHBondContact O-N 3.27Å; W117-C124 HydrophobicContact CB-CB 4.34Å
118R87.6Confident81.6Confident126 Ų12652.8 Ų52.848%0.47526%0.263SS..G310 helixtrans-66.4-27.6-177.5-58.8-174.575.4-168.13.9112.9G116 I120 G121 G122 C124G116-R118 VanDerWaalsContact C-N 3.27Å; G116-R118 PolarHBondContact O-N 3.41Å; R118-I120 PolarHBondContact O-N 3Å; R118-G121 PolarHBondContact O-N 3.02Å; R118-G122 WeakPolarHBondContact CA-O 3.37Å; R118-C124 HydrophobicContact CG-CB 4.06Å
119N89.8Confident82.1Confident127 Ų12748.7 Ų48.768%0.67925%0.247SC*.G310 helixtrans-68.1-22.3180-63.2-17.7000112.6G116 W117G116-N119 WeakPolarHBondContact O-CB 3.46Å; G116-N119 PolarHBondContact O-N 3.02Å; W117-N119 VanDerWaalsContact C-N 3.25Å; W117-N119 PolarHBondContact O-N 3.36Å
120I92Very high82.6Confident38 Ų3842.2 Ų42.220%0.19522%0.22CC..G310 helixtrans-105.614.117863.5161.4000112.5G90 S91 L92 F103 W117 R118 G122G90-I120 CarbonylContact C-O 3.57Å; G90-I120 VanDerWaalsContact CA-O 3.28Å; G90-I120 WeakPolarHBondContact CA-O 3.32Å; S91-I120 PolarHBondContact N-O 2.87Å; L92-I120 HydrophobicContact CB-CD1 4.3Å; L92-I120 HydrophobicContact CD1-CD1 3.51Å; L92-I120 HydrophobicContact CG-CD1 3.66Å; F103-I120 HydrophobicContact CD2-CD1 4.48Å; F103-I120 HydrophobicContact CE1-CD1 3.91Å; F103-I120 HydrophobicContact CE1-CG1 4.5Å; F103-I120 HydrophobicContact CE2-CD1 3.87Å; F103-I120 HydrophobicContact CE2-CG1 4.21Å; F103-I120 HydrophobicContact CE2-CG2 3.66Å; F103-I120 HydrophobicContact CZ-CD1 3.53Å; F103-I120 HydrophobicContact CZ-CG1 3.78Å; F103-I120 HydrophobicContact CZ-CG2 4.06Å; W117-I120 HydrophobicContact CE3-CD1 4.01Å; W117-I120 HydrophobicContact CZ3-CD1 4.13Å; W117-I120 WeakPolarHBondContact O-CG1 2.87Å; W117-I120 PolarHBondContact O-N 2.75Å; R118-I120 PolarHBondContact O-N 3Å; I120-G122 VanDerWaalsContact C-N 3.26Å; I120-G122 PolarHBondContact O-N 2.94Å
121G93.2Very high83.3Confident49 Ų4936 Ų3651%0.50520%0.197SC..THydrogen-bonded Turntrans7315.7-17600000114.4N88 G90 R118N88-G121 PolarHBondContact ND2-O 3.13Å; N88-G121 VanDerWaalsContact ND2-O 3.1Å; G90-G121 WeakPolarHBondContact CA-O 3.35Å; R118-G121 PolarHBondContact O-N 3.02Å
122G91.8Very high84.2Confident5 Ų533.8 Ų33.85%0.05217%0.173CC..PPolyproline II helixtrans-88.7159.6176.200000113.1N88 W117 R118 I120N88-G122 CarbonylContact O-C 3.57Å; N88-G122 VanDerWaalsContact O-CA 3.22Å; N88-G122 WeakPolarHBondContact O-CA 3.47Å; W117-G122 CarbonylContact C-O 3.49Å; W117-G122 VanDerWaalsContact O-CA 3.32Å; W117-G122 WeakPolarHBondContact O-CA 2.99Å; W117-G122 PolarHBondContact O-N 3.27Å; R118-G122 WeakPolarHBondContact CA-O 3.37Å; I120-G122 VanDerWaalsContact C-N 3.26Å; I120-G122 PolarHBondContact O-N 2.94Å
123E89Confident85.2Confident9 Ų929.3 Ų29.34%0.04216%0.156CC..PPolyproline II helixtrans-77.9127.1173.2173.6177-131.500109.8R87 N88 E127 M128 R131R87-E123 WeakPolarHBondContact CA-OE2 3.04Å; R87-E123 HydrophobicContact CG-CB 4.34Å; N88-E123 HydrophobicContact CB-CB 3.79Å; N88-E123 PolarHBondContact O-N 2.78Å; E123-E127 HydrophobicContact CG-CB 3.88Å; E123-E127 HydrophobicContact CG-CG 3.86Å; E123-M128 HydrophobicContact CG-CB 4.02Å; E123-M128 VanDerWaalsContact OE1-CA 3.22Å; E123-M128 WeakPolarHBondContact OE1-CA 3.33Å; E123-M128 PolarHBondContact OE1-N 2.96Å; E123-R131 WeakPolarHBondContact OE1-CD 3.28Å; E123-R131 IonicContact OE1-CZ 3.73Å; E123-R131 IonicContact OE1-NE 3.91Å; E123-R131 PolarHBondContact OE1-NE 3.45Å; E123-R131 IonicContact OE1-NH2 2.8Å; E123-R131 IonicContact OE2-CZ 3.47Å; E123-R131 IonicContact OE2-NE 3.32Å; E123-R131 PolarHBondContact OE2-NE 3.1Å; E123-R131 IonicContact OE2-NH2 3.49Å; E123-R131 PolarHBondContact OE2-NH2 2.93Å
124C84.2Confident86.2Confident0 Ų028.5 Ų28.50%015%0.154CC..PPolyproline II helixtrans-78.7161.7172.869.90000112.2C114 W117 R118 H126 E127 M128C114-C124 HydrophobicContact CB-CB 3.54Å; W117-C124 HydrophobicContact CB-CB 4.34Å; R118-C124 HydrophobicContact CG-CB 4.06Å; C124-H126 PolarHBondContact O-N 2.88Å; C124-E127 PolarHBondContact O-N 3.46Å; C124-E127 VanDerWaalsContact O-N 3.1Å; C124-E127 PolarHBondContact SG-N 2.71Å; C124-M128 PolarHBondContact O-N 3.01Å
125T78.6Confident87.2Confident4 Ų427.9 Ų27.93%0.02515%0.149CC..Hα-helixtrans-58.8-34.3-179.1-49.30000112.9R87 A129 F273R87-T125 PolarHBondContact NH1-OG1 3.42Å; R87-T125 PolarHBondContact NH2-OG1 2.87Å; T125-A129 VanDerWaalsContact O-CB 3.29Å; T125-A129 WeakPolarHBondContact O-CB 3.35Å; T125-A129 PolarHBondContact O-N 3.19Å; T125-F273 HydrophobicContact CG2-CD1 3.34Å; T125-F273 HydrophobicContact CG2-CE1 3.37Å; T125-F273 HydrophobicContact CG2-CG 4.19Å; T125-F273 HydrophobicContact CG2-CZ 4.23Å
126H81.2Confident88.3Confident10 Ų1026.3 Ų26.35%0.04614%0.141CC..Hα-helixtrans-68.4-38.4176.6-56113.3000113.1C114 C124 A129 S130 I294C114-H126 PolarHBondContact SG-ND1 2.83Å; C124-H126 PolarHBondContact O-N 2.88Å; H126-A129 PolarHBondContact O-N 3.11Å; H126-S130 PolarHBondContact O-N 2.99Å; H126-I294 VanDerWaalsContact CE1-CD1 3.43Å; H126-I294 WeakPolarHBondContact CE1-CD1 3.25Å; H126-I294 WeakPolarHBondContact NE2-CD1 3.45Å
127E85.4Confident88.8Confident56 Ų5626.7 Ų26.726%0.26214%0.142SC..Hα-helixtrans-67.9-43177.3-179.2178.7177.600110.8E123 C124 A129 S130 R131 Y293E123-E127 HydrophobicContact CG-CB 3.88Å; E123-E127 HydrophobicContact CG-CG 3.86Å; C124-E127 PolarHBondContact O-N 3.46Å; C124-E127 VanDerWaalsContact O-N 3.1Å; C124-E127 PolarHBondContact SG-N 2.71Å; E127-A129 PolarHBondContact O-N 2.96Å; E127-S130 WeakPolarHBondContact O-CB 3.19Å; E127-S130 PolarHBondContact O-N 3.38Å; E127-S130 VanDerWaalsContact O-N 3.11Å; E127-R131 PolarHBondContact O-N 2.87Å; E127-R131 VanDerWaalsContact O-N 3.14Å; E127-Y293 HydrophobicContact CB-CD2 3.79Å; E127-Y293 HydrophobicContact CB-CE2 3.87Å; E127-Y293 HydrophobicContact CB-CG 4.22Å; E127-Y293 HydrophobicContact CG-CD2 4.23Å; E127-Y293 HydrophobicContact CG-CE2 3.78Å
128M86.5Confident89.3Confident3 Ų329.2 Ų29.22%0.01516%0.156CC..Hα-helixtrans-60.6-46.8172.8-168.7176.2-174.600111.6R87 E123 C124 S130 R131 T132 G207 W208 Q211R87-M128 HydrophobicContact CB-CE 4.2Å; R87-M128 HydrophobicContact CB-SD 3.96Å; R87-M128 HydrophobicContact CG-SD 4.43Å; E123-M128 HydrophobicContact CG-CB 4.02Å; E123-M128 VanDerWaalsContact OE1-CA 3.22Å; E123-M128 WeakPolarHBondContact OE1-CA 3.33Å; E123-M128 PolarHBondContact OE1-N 2.96Å; C124-M128 PolarHBondContact O-N 3.01Å; M128-S130 PolarHBondContact O-N 3.14Å; M128-R131 VanDerWaalsContact O-CG 3.27Å; M128-R131 WeakPolarHBondContact O-CG 3.4Å; M128-R131 PolarHBondContact O-N 3.2Å; M128-T132 WeakPolarHBondContact O-CB 3.42Å; M128-T132 PolarHBondContact O-N 2.93Å; M128-T132 PolarHBondContact O-OG1 3.47Å; M128-G207 WeakPolarHBondContact CE-O 3.38Å; M128-W208 HydrophobicContact CE-CB 4.06Å; M128-Q211 HydrophobicContact CE-CB 4.1Å; M128-Q211 HydrophobicContact CG-CG 4.23Å; M128-Q211 HydrophobicContact SD-CB 4.43Å
129A83.4Confident89.8Confident7 Ų723.6 Ų23.66%0.05814%0.135CC..Hα-helixtrans-58.1-37.3174.900000111.8T125 H126 E127 H133 F273T125-A129 VanDerWaalsContact O-CB 3.29Å; T125-A129 WeakPolarHBondContact O-CB 3.35Å; T125-A129 PolarHBondContact O-N 3.19Å; H126-A129 PolarHBondContact O-N 3.11Å; E127-A129 PolarHBondContact O-N 2.96Å; A129-H133 WeakPolarHBondContact O-CB 3.39Å; A129-H133 PolarHBondContact O-N 2.96Å; A129-F273 HydrophobicContact CB-CE1 3.97Å; A129-F273 HydrophobicContact CB-CZ 4.05Å
130S86.4Confident90.1Very high13 Ų1317.6 Ų17.69%0.09110%0.103CC..Hα-helixtrans-60.6-55.2177.1-171.10000112.9H126 E127 M128 T132 H133 N134 Y293 L296H126-S130 PolarHBondContact O-N 2.99Å; E127-S130 WeakPolarHBondContact O-CB 3.19Å; E127-S130 PolarHBondContact O-N 3.38Å; E127-S130 VanDerWaalsContact O-N 3.11Å; M128-S130 PolarHBondContact O-N 3.14Å; S130-T132 VanDerWaalsContact C-N 3.3Å; S130-T132 PolarHBondContact O-N 3.1Å; S130-H133 PolarHBondContact O-N 3.33Å; S130-N134 WeakPolarHBondContact O-CB 3.2Å; S130-N134 VanDerWaalsContact O-CG 3.29Å; S130-N134 PolarHBondContact O-N 2.98Å; S130-N134 PolarHBondContact O-ND2 2.85Å; S130-N134 VanDerWaalsContact O-ND2 3.15Å; S130-Y293 VanDerWaalsContact CB-CD1 3.49Å; S130-L296 VanDerWaalsContact CA-CD1 3.42Å; S130-L296 WeakPolarHBondContact OG-CD1 3.36Å
131R91.6Very high90.3Very high33 Ų3317 Ų1713%0.12510%0.103CC..Hα-helixtrans-65.8-34.7-179.763.5177.5176101.7-8.8112.3R83 R85 E86 E123 E127 M128 F135R83-R131 HydrophobicContact CB-CB 4.4Å; R83-R131 PolarHBondContact O-NH1 2.81Å; R85-R131 VanDerWaalsContact O-CZ 3.27Å; R85-R131 PolarHBondContact O-NH1 3.31Å; R85-R131 PolarHBondContact O-NH2 2.95Å; E86-R131 PolarHBondContact O-NH2 3.39Å; E123-R131 WeakPolarHBondContact OE1-CD 3.28Å; E123-R131 IonicContact OE1-CZ 3.73Å; E123-R131 IonicContact OE1-NE 3.91Å; E123-R131 PolarHBondContact OE1-NE 3.45Å; E123-R131 IonicContact OE1-NH2 2.8Å; E123-R131 IonicContact OE2-CZ 3.47Å; E123-R131 IonicContact OE2-NE 3.32Å; E123-R131 PolarHBondContact OE2-NE 3.1Å; E123-R131 IonicContact OE2-NH2 3.49Å; E123-R131 PolarHBondContact OE2-NH2 2.93Å; E127-R131 PolarHBondContact O-N 2.87Å; E127-R131 VanDerWaalsContact O-N 3.14Å; M128-R131 VanDerWaalsContact O-CG 3.27Å; M128-R131 WeakPolarHBondContact O-CG 3.4Å; M128-R131 PolarHBondContact O-N 3.2Å; R131-F135 VanDerWaalsContact O-CB 3.27Å; R131-F135 WeakPolarHBondContact O-CB 3.44Å; R131-F135 PolarHBondContact O-N 2.91Å
132T91.5Very high90.5Very high1 Ų118.4 Ų18.41%0.0069%0.093CC..Hα-helixtrans-65.5-42.9174.1-59.70000111.9M128 S130 L136 W208 Q211 F212 L215M128-T132 WeakPolarHBondContact O-CB 3.42Å; M128-T132 PolarHBondContact O-N 2.93Å; M128-T132 PolarHBondContact O-OG1 3.47Å; S130-T132 VanDerWaalsContact C-N 3.3Å; S130-T132 PolarHBondContact O-N 3.1Å; T132-L136 PolarHBondContact O-N 3.12Å; T132-L136 VanDerWaalsContact O-N 3.12Å; T132-W208 HydrophobicContact CG2-CZ2 4.18Å; T132-W208 VanDerWaalsContact OG1-CD1 3.32Å; T132-W208 PolarHBondContact OG1-NE1 3.11Å; T132-Q211 HydrophobicContact CG2-CG 4.36Å; T132-F212 HydrophobicContact CG2-CB 3.81Å; T132-F212 HydrophobicContact CG2-CD2 3.58Å; T132-F212 HydrophobicContact CG2-CG 4.13Å; T132-L215 HydrophobicContact CG2-CD2 4.27Å
133H89.7Confident90.7Very high4 Ų418.3 Ų18.32%0.0199%0.091CC..Hα-helixtrans-65.2-47.1177.4177.1-96.6000111.9A129 S130 F135 L136 L137 L215 Y255 L301A129-H133 WeakPolarHBondContact O-CB 3.39Å; A129-H133 PolarHBondContact O-N 2.96Å; S130-H133 PolarHBondContact O-N 3.33Å; H133-F135 VanDerWaalsContact C-N 3.34Å; H133-F135 PolarHBondContact O-N 3.08Å; H133-L136 WeakPolarHBondContact O-CB 3.4Å; H133-L136 PolarHBondContact O-N 3.04Å; H133-L137 WeakPolarHBondContact CE1-CD1 3.33Å; H133-L137 PolarHBondContact O-N 3.17Å; H133-L137 VanDerWaalsContact O-N 3.14Å; H133-L215 HydrophobicContact CB-CD2 4.34Å; H133-Y255 AromaticContact CE1-CE1 3.83Å; H133-Y255 AromaticContact NE2-CE1 3.56Å; H133-Y255 AromaticContact NE2-CZ 3.77Å; H133-Y255 PolarHBondContact NE2-OH 3.04Å; H133-Y255 VanDerWaalsContact NE2-OH 3.1Å; H133-L301 VanDerWaalsContact NE2-CD2 3.34Å; H133-L301 WeakPolarHBondContact NE2-CD2 3.24Å
134N91.3Very high90.9Very high58 Ų5818.6 Ų18.631%0.319%0.093SC..Hα-helixtrans-62.5-41.4177.1-68.9-32.8000111.8S130 L136 L137 D138S130-N134 WeakPolarHBondContact O-CB 3.2Å; S130-N134 VanDerWaalsContact O-CG 3.29Å; S130-N134 PolarHBondContact O-N 2.98Å; S130-N134 PolarHBondContact O-ND2 2.85Å; S130-N134 VanDerWaalsContact O-ND2 3.15Å; N134-L136 PolarHBondContact O-N 2.91Å; N134-L137 PolarHBondContact O-N 3.03Å; N134-D138 PolarHBondContact O-N 2.9Å
135F96Very high91.4Very high4 Ų424 Ų242%0.01812%0.118CC..Hα-helixtrans-56.7-46.9173.9169.9-94.4000112.1I58 E81 I84 R131 H133 L137 D138 L139 I202 W208 F212I58-F135 HydrophobicContact CD1-CE2 4.23Å; I58-F135 HydrophobicContact CD1-CZ 4.14Å; I58-F135 HydrophobicContact CG2-CE2 4.25Å; I58-F135 HydrophobicContact CG2-CZ 4.48Å; E81-F135 HydrophobicContact CG-CD2 3.94Å; E81-F135 HydrophobicContact CG-CE2 3.96Å; I84-F135 HydrophobicContact CG2-CD1 4.12Å; I84-F135 HydrophobicContact CG2-CD2 3.67Å; I84-F135 HydrophobicContact CG2-CE1 4.19Å; I84-F135 HydrophobicContact CG2-CE2 3.74Å; I84-F135 HydrophobicContact CG2-CG 3.86Å; I84-F135 HydrophobicContact CG2-CZ 4Å; R131-F135 VanDerWaalsContact O-CB 3.27Å; R131-F135 WeakPolarHBondContact O-CB 3.44Å; R131-F135 PolarHBondContact O-N 2.91Å; H133-F135 VanDerWaalsContact C-N 3.34Å; H133-F135 PolarHBondContact O-N 3.08Å; F135-L137 PolarHBondContact O-N 3.15Å; F135-D138 PolarHBondContact O-N 2.91Å; F135-L139 HydrophobicContact CE1-CD2 4.31Å; F135-L139 HydrophobicContact CZ-CD2 4.4Å; F135-L139 WeakPolarHBondContact O-CB 3.47Å; F135-L139 PolarHBondContact O-N 3.01Å; F135-I202 HydrophobicContact CE1-CD1 3.67Å; F135-I202 HydrophobicContact CZ-CD1 3.78Å; F135-I202 HydrophobicContact CZ-CG1 4.37Å; F135-W208 AromaticContact CD1-CH2 3.83Å; F135-W208 HydrophobicContact CD1-CH2 3.83Å; F135-W208 AromaticContact CD1-CZ2 3.56Å; F135-W208 HydrophobicContact CD1-CZ2 3.56Å; F135-W208 AromaticContact CE1-CH2 3.69Å; F135-W208 HydrophobicContact CE1-CH2 3.69Å; F135-W208 AromaticContact CE1-CZ2 3.92Å; F135-W208 HydrophobicContact CE1-CZ2 3.92Å; F135-W208 HydrophobicContact CG-CZ2 4.14Å; F135-W208 HydrophobicContact CZ-CH2 4.46Å; F135-F212 HydrophobicContact CD1-CE2 4.47Å; F135-F212 HydrophobicContact CE1-CZ 4.29Å
136L95.7Very high92Very high1 Ų125.7 Ų25.71%0.00513%0.128CC..Hα-helixtrans-58.6-48.1178.2-179.355.2000112T132 H133 N134 D138 L139 C140 F212 L215 L216 L301 I303T132-L136 PolarHBondContact O-N 3.12Å; T132-L136 VanDerWaalsContact O-N 3.12Å; H133-L136 WeakPolarHBondContact O-CB 3.4Å; H133-L136 PolarHBondContact O-N 3.04Å; N134-L136 PolarHBondContact O-N 2.91Å; L136-D138 PolarHBondContact O-N 3.44Å; L136-L139 PolarHBondContact O-N 3.01Å; L136-C140 PolarHBondContact O-N 3.39Å; L136-C140 PolarHBondContact O-SG 2.9Å; L136-C140 VanDerWaalsContact O-SG 3.34Å; L136-F212 HydrophobicContact CB-CE2 3.97Å; L136-F212 HydrophobicContact CD1-CE2 3.92Å; L136-F212 HydrophobicContact CD1-CZ 3.98Å; L136-F212 HydrophobicContact CD2-CE2 4.33Å; L136-F212 HydrophobicContact CG-CE2 4.27Å; L136-L215 HydrophobicContact CB-CD2 4.32Å; L136-L215 HydrophobicContact CD2-CD2 3.71Å; L136-L215 HydrophobicContact CD2-CG 4.42Å; L136-L216 HydrophobicContact CD1-CD2 4.44Å; L136-L216 HydrophobicContact CD2-CD2 4.08Å; L136-L301 HydrophobicContact CD2-CD1 3.8Å; L136-I303 HydrophobicContact CD2-CD1 3.98Å
137L94.4Very high92.3Very high10 Ų1026.5 Ų26.55%0.05214%0.135CC..Hα-helixtrans-62.3-44.7-178.6-68.4-178.6000111.4H133 N134 F135 L139 C140 S141 L252 Y255 R256 L301H133-L137 WeakPolarHBondContact CE1-CD1 3.33Å; H133-L137 PolarHBondContact O-N 3.17Å; H133-L137 VanDerWaalsContact O-N 3.14Å; N134-L137 PolarHBondContact O-N 3.03Å; F135-L137 PolarHBondContact O-N 3.15Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L137-C140 PolarHBondContact O-N 3.4Å; L137-S141 PolarHBondContact O-N 3.26Å; L137-L252 HydrophobicContact CD2-CD1 3.81Å; L137-Y255 HydrophobicContact CD1-CE1 4.29Å; L137-Y255 HydrophobicContact CD2-CD1 4.2Å; L137-Y255 HydrophobicContact CD2-CE1 4.16Å; L137-R256 HydrophobicContact CD1-CG 4.11Å; L137-R256 HydrophobicContact CD2-CG 4.24Å; L137-R256 PolarHBondContact O-NH1 2.83Å; L137-L301 HydrophobicContact CD2-CD2 4.29Å
138D96.3Very high92.4Very high56 Ų5627.9 Ų27.930%0.29914%0.143SC..Hα-helixtrans-65.9-37.6178.6-69.2-16.8000112.1R83 N134 F135 L136 S141 R142 R256R83-D138 IonicContact CZ-OD2 2.75Å; R83-D138 IonicContact NH1-OD2 3.98Å; R83-D138 PolarHBondContact NH1-OD2 3.32Å; R83-D138 IonicContact NH2-OD2 2.71Å; N134-D138 PolarHBondContact O-N 2.9Å; F135-D138 PolarHBondContact O-N 2.91Å; L136-D138 PolarHBondContact O-N 3.44Å; D138-S141 PolarHBondContact O-N 3.34Å; D138-R142 WeakPolarHBondContact O-CB 3.27Å; D138-R142 PolarHBondContact O-N 2.9Å; D138-R256 IonicContact OD1-CZ 3.61Å; D138-R256 IonicContact OD1-NH1 3.4Å; D138-R256 PolarHBondContact OD1-NH1 3.39Å; D138-R256 IonicContact OD1-NH2 3Å; D138-R256 PolarHBondContact OD1-NH2 2.95Å
139L98.1Very high92.4Very high7 Ų735.3 Ų35.34%0.03718%0.175CC..Hα-helixtrans-60.3-46.6171.9-179.660.8000111.3F8 L10 I58 F135 L136 L137 S141 R142 L143 V200 I202F8-L139 HydrophobicContact CE2-CD2 4.16Å; L10-L139 HydrophobicContact CD2-CD2 4.01Å; I58-L139 HydrophobicContact CD1-CD1 4.11Å; F135-L139 HydrophobicContact CE1-CD2 4.31Å; F135-L139 HydrophobicContact CZ-CD2 4.4Å; F135-L139 WeakPolarHBondContact O-CB 3.47Å; F135-L139 PolarHBondContact O-N 3.01Å; L136-L139 PolarHBondContact O-N 3.01Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L139-S141 VanDerWaalsContact C-N 3.35Å; L139-S141 PolarHBondContact O-N 2.75Å; L139-R142 PolarHBondContact O-N 3.49Å; L139-L143 HydrophobicContact CG-CD1 4.36Å; L139-L143 WeakPolarHBondContact O-CG 3.48Å; L139-L143 PolarHBondContact O-N 3.23Å; L139-V200 HydrophobicContact CD1-CG1 4.23Å; L139-V200 HydrophobicContact CD1-CG2 4.21Å; L139-V200 HydrophobicContact CD2-CG1 4.3Å; L139-I202 HydrophobicContact CD2-CD1 4.43Å
140C97.1Very high92.2Very high1 Ų139.5 Ų39.51%0.00719%0.193CC..Hα-helixtrans-60.9-42.2176.2-69.50000112.2L136 L137 L143 I144 F247 L252L136-C140 PolarHBondContact O-N 3.39Å; L136-C140 PolarHBondContact O-SG 2.9Å; L136-C140 VanDerWaalsContact O-SG 3.34Å; L137-C140 PolarHBondContact O-N 3.4Å; C140-L143 PolarHBondContact O-N 3.49Å; C140-I144 WeakPolarHBondContact O-CG1 3.32Å; C140-I144 PolarHBondContact O-N 3.12Å; C140-F247 HydrophobicContact CB-CD1 4.39Å; C140-F247 HydrophobicContact CB-CE1 3.74Å; C140-F247 HydrophobicContact CB-CE2 4.47Å; C140-F247 HydrophobicContact CB-CZ 3.78Å; C140-F247 VanDerWaalsContact SG-CE1 3.55Å; C140-L252 HydrophobicContact CB-CD2 3.39Å
141S95.7Very high91.5Very high27 Ų2743.7 Ų43.719%0.18922%0.218CC..Hα-helixtrans-64.9-41.6176.7-78.10000112.8L137 D138 L139 L143 I144 E145 R256L137-S141 PolarHBondContact O-N 3.26Å; D138-S141 PolarHBondContact O-N 3.34Å; L139-S141 VanDerWaalsContact C-N 3.35Å; L139-S141 PolarHBondContact O-N 2.75Å; S141-L143 VanDerWaalsContact C-N 3.26Å; S141-L143 PolarHBondContact O-N 3.23Å; S141-I144 WeakPolarHBondContact O-CB 3.24Å; S141-I144 PolarHBondContact O-N 3.46Å; S141-E145 WeakPolarHBondContact O-CG 3.27Å; S141-E145 PolarHBondContact O-N 3.45Å; S141-R256 PolarHBondContact OG-NH1 2.84Å
142R96.7Very high90.4Very high78 Ų7849.6 Ų49.629%0.29425%0.252SS..Hα-helixtrans-57.3-41.4172.7177.2-178172176.76.4111.9E79 D138 L139 E145 T146E79-R142 VanDerWaalsContact CD-NH1 3.34Å; E79-R142 IonicContact OE1-CZ 2.71Å; E79-R142 IonicContact OE1-NH1 2.69Å; E79-R142 PolarHBondContact OE1-NH1 2.83Å; E79-R142 IonicContact OE1-NH2 3.27Å; E79-R142 PolarHBondContact OE1-NH2 3.11Å; E79-R142 IonicContact OE2-CZ 3.67Å; E79-R142 IonicContact OE2-NH1 3.99Å; E79-R142 PolarHBondContact OE2-NH1 3.3Å; E79-R142 IonicContact OE2-NH2 2.62Å; E79-R142 PolarHBondContact OE2-NH2 3.14Å; D138-R142 WeakPolarHBondContact O-CB 3.27Å; D138-R142 PolarHBondContact O-N 2.9Å; L139-R142 PolarHBondContact O-N 3.49Å; R142-E145 PolarHBondContact O-N 3.14Å; R142-T146 WeakPolarHBondContact O-CB 3.36Å; R142-T146 PolarHBondContact O-N 3.45Å; R142-T146 PolarHBondContact O-OG1 2.93Å
143L96Very high89.5Confident2 Ų254.4 Ų54.41%0.0128%0.281CS..Hα-helixtrans-68.6-38.1178-70.6170.5000112.2F8 I56 L139 C140 S141 T146 S147 A197F8-L143 HydrophobicContact CB-CD1 3.96Å; F8-L143 HydrophobicContact CD1-CD1 3.62Å; F8-L143 HydrophobicContact CD2-CD1 3.66Å; F8-L143 HydrophobicContact CE1-CD1 3.93Å; F8-L143 HydrophobicContact CE2-CD1 3.95Å; F8-L143 HydrophobicContact CG-CD1 3.48Å; F8-L143 VanDerWaalsContact CG-CD1 3.48Å; F8-L143 HydrophobicContact CZ-CD1 4.08Å; I56-L143 HydrophobicContact CD1-CD2 3.92Å; L139-L143 HydrophobicContact CG-CD1 4.36Å; L139-L143 WeakPolarHBondContact O-CG 3.48Å; L139-L143 PolarHBondContact O-N 3.23Å; C140-L143 PolarHBondContact O-N 3.49Å; S141-L143 VanDerWaalsContact C-N 3.26Å; S141-L143 PolarHBondContact O-N 3.23Å; L143-T146 PolarHBondContact O-N 3.39Å; L143-S147 WeakPolarHBondContact O-CB 3.29Å; L143-S147 PolarHBondContact O-N 2.81Å; L143-A197 HydrophobicContact CB-CB 4.22Å; L143-A197 HydrophobicContact CD2-CB 4.38Å
144I94.4Very high88.7Confident15 Ų1561 Ų618%0.07732%0.316CS..Hα-helixtrans-58.1-54.6171.4-67.3160.9000110L6 C140 S141 T146 S147 M148 F247 I249 L252L6-I144 HydrophobicContact CD2-CB 4.43Å; L6-I144 HydrophobicContact CD2-CG1 3.98Å; C140-I144 WeakPolarHBondContact O-CG1 3.32Å; C140-I144 PolarHBondContact O-N 3.12Å; S141-I144 WeakPolarHBondContact O-CB 3.24Å; S141-I144 PolarHBondContact O-N 3.46Å; I144-T146 VanDerWaalsContact C-N 3.27Å; I144-T146 PolarHBondContact O-N 3.45Å; I144-S147 WeakPolarHBondContact O-CB 3.27Å; I144-S147 PolarHBondContact O-N 3.43Å; I144-S147 VanDerWaalsContact O-N 3.13Å; I144-M148 HydrophobicContact CG2-CE 4.49Å; I144-M148 HydrophobicContact CG2-CG 4.26Å; I144-M148 VanDerWaalsContact O-CG 3.3Å; I144-M148 WeakPolarHBondContact O-CG 3.4Å; I144-M148 PolarHBondContact O-N 2.96Å; I144-F247 HydrophobicContact CD1-CE2 3.7Å; I144-F247 HydrophobicContact CD1-CZ 4.23Å; I144-F247 HydrophobicContact CG1-CE2 3.71Å; I144-F247 HydrophobicContact CG1-CZ 3.96Å; I144-I249 HydrophobicContact CD1-CG2 4.09Å; I144-I249 HydrophobicContact CG1-CG1 4.38Å; I144-I249 HydrophobicContact CG1-CG2 4.43Å; I144-I249 HydrophobicContact CG2-CG2 4.3Å; I144-L252 HydrophobicContact CD1-CD2 4.26Å
145E93.7Very high88.2Confident114 Ų11462.4 Ų62.453%0.53332%0.317SS..Hα-helixtrans-58.3-39.9-179-71.4175.7-161.200112.4S141 R142 M148 K149S141-E145 WeakPolarHBondContact O-CG 3.27Å; S141-E145 PolarHBondContact O-N 3.45Å; R142-E145 PolarHBondContact O-N 3.14Å; E145-M148 PolarHBondContact O-N 2.93Å; E145-K149 WeakPolarHBondContact O-CG 3.3Å; E145-K149 PolarHBondContact O-N 3.46Å; E145-K149 VanDerWaalsContact O-N 3.16Å
146T91.4Very high87.9Confident40 Ų4070.8 Ų70.825%0.24536%0.356CS..Hα-helixtrans-65.8-45.1177.4-560000110.8R142 L143 I144 M148 K149 H150R142-T146 WeakPolarHBondContact O-CB 3.36Å; R142-T146 PolarHBondContact O-N 3.45Å; R142-T146 PolarHBondContact O-OG1 2.93Å; L143-T146 PolarHBondContact O-N 3.39Å; I144-T146 VanDerWaalsContact C-N 3.27Å; I144-T146 PolarHBondContact O-N 3.45Å; T146-M148 VanDerWaalsContact C-N 3.33Å; T146-M148 PolarHBondContact O-N 2.76Å; T146-K149 PolarHBondContact O-N 3.5Å; T146-H150 PolarHBondContact O-CD2 3.16Å; T146-H150 PolarHBondContact O-N 3.19Å
147S88.1Confident87.8Confident26 Ų2672.9 Ų72.918%0.18237%0.367CS..Hα-helixtrans-60.7-41.5176.4-172.10000112L143 I144 K149 H150 T151L143-S147 WeakPolarHBondContact O-CB 3.29Å; L143-S147 PolarHBondContact O-N 2.81Å; I144-S147 WeakPolarHBondContact O-CB 3.27Å; I144-S147 PolarHBondContact O-N 3.43Å; I144-S147 VanDerWaalsContact O-N 3.13Å; S147-K149 VanDerWaalsContact C-N 3.31Å; S147-K149 PolarHBondContact O-N 2.83Å; S147-H150 CarbonylContact O-C 3.51Å; S147-H150 PolarHBondContact O-N 3.24Å; S147-T151 PolarHBondContact O-N 3.48Å
148M86.9Confident87.7Confident86 Ų8676.5 Ų76.542%0.42439%0.391SS..Hα-helixtrans-68.8-27-179.9-66.4-61.7163.300113.3I144 E145 T146 H150 T151 I249I144-M148 HydrophobicContact CG2-CE 4.49Å; I144-M148 HydrophobicContact CG2-CG 4.26Å; I144-M148 VanDerWaalsContact O-CG 3.3Å; I144-M148 WeakPolarHBondContact O-CG 3.4Å; I144-M148 PolarHBondContact O-N 2.96Å; E145-M148 PolarHBondContact O-N 2.93Å; T146-M148 VanDerWaalsContact C-N 3.33Å; T146-M148 PolarHBondContact O-N 2.76Å; M148-H150 VanDerWaalsContact C-N 3.32Å; M148-T151 WeakPolarHBondContact O-CG2 3.38Å; M148-I249 HydrophobicContact CE-CD1 3.5Å
149K85.5Confident87.6Confident159 Ų15976.5 Ų76.569%0.69139%0.389SS*.Hα-helixtrans-76-20.7173.8-72.3170.1-175.2170.70113.1E145 T146 S147E145-K149 WeakPolarHBondContact O-CG 3.3Å; E145-K149 PolarHBondContact O-N 3.46Å; E145-K149 VanDerWaalsContact O-N 3.16Å; T146-K149 PolarHBondContact O-N 3.5Å; S147-K149 VanDerWaalsContact C-N 3.31Å; S147-K149 PolarHBondContact O-N 2.83Å
150H80.3Confident87.5Confident95 Ų9576.6 Ų76.644%0.4439%0.39SS..THydrogen-bonded Turntrans-11527.1-174.5-65.6-64.2000113.3T146 S147 M148 N152 V153T146-H150 PolarHBondContact O-CD2 3.16Å; T146-H150 PolarHBondContact O-N 3.19Å; S147-H150 CarbonylContact O-C 3.51Å; S147-H150 PolarHBondContact O-N 3.24Å; M148-H150 VanDerWaalsContact C-N 3.32Å; H150-N152 PolarHBondContact O-N 2.98Å; H150-V153 PolarHBondContact O-N 3.41Å
151T70.6Confident87.3Confident100 Ų10077.4 Ų77.461%0.61339%0.394SS*.THydrogen-bonded Turntrans-53.6-26.1-175.750.60000114.7S147 M148S147-T151 PolarHBondContact O-N 3.48Å; M148-T151 WeakPolarHBondContact O-CG2 3.38Å
152N69.7Low87Confident158 Ų15876.6 Ų76.685%0.84539%0.387SS*.THydrogen-bonded Turntrans-84.9-5179.5-65.5-17.6000114H150H150-N152 PolarHBondContact O-N 2.98Å
153V71.8Confident86.4Confident101 Ų10175.3 Ų75.361%0.61240%0.398SS*.SBendtrans-125.395.6-178.1-174.80000109.2H150 R155H150-V153 PolarHBondContact O-N 3.41Å; V153-R155 PolarHBondContact O-N 2.72Å; V153-R155 VanDerWaalsContact O-N 3.17Å
154L72.3Confident85.6Confident144 Ų14478 Ų7875%0.75442%0.418SS*.  trans-69.1112.9174.8-168.672.9000109.5Q156L154-Q156 PolarHBondContact O-N 2.82Å
155R82.4Confident84.9Confident87 Ų8779 Ų7933%0.32843%0.426SS..  trans-71.9127.5173.8-66.7-175.5178-158.8-3.2109.5D55 V153 Y196D55-R155 IonicContact OD1-CZ 3.97Å; D55-R155 IonicContact OD1-NH1 3.97Å; D55-R155 PolarHBondContact OD1-NH1 2.78Å; D55-R155 IonicContact OD2-NH1 3.04Å; V153-R155 PolarHBondContact O-N 2.72Å; V153-R155 VanDerWaalsContact O-N 3.17Å; R155-Y196 HydrophobicContact CB-CD1 3.87Å
156Q89.1Confident84.4Confident180 Ų18078.2 Ų78.284%0.84143%0.425SS*.  trans-73.5138.3169.1-66.2-177.81.200109.2L154 P158 Y196L154-Q156 PolarHBondContact O-N 2.82Å; Q156-P158 VanDerWaalsContact O-CD 3.22Å; Q156-P158 WeakPolarHBondContact O-CD 3.1Å; Q156-Y196 WeakPolarHBondContact O-CD1 3.49Å
157D92.8Very high84.2Confident44 Ų4477.9 Ų77.924%0.23542%0.422CS..  trans-71.4110.6173.7-177.5-10000109.5Y7 Y9 F159 Y196Y7-D157 HydrophobicContact CE2-CB 4.45Å; Y7-D157 WeakPolarHBondContact CE2-OD2 3.34Å; Y7-D157 WeakPolarHBondContact OH-CB 3.12Å; Y7-D157 PolarHBondContact OH-OD2 3.08Å; Y9-D157 WeakPolarHBondContact CE2-OD1 3.45Å; Y9-D157 PolarHBondContact OH-OD1 3.24Å; Y9-D157 PolarHBondContact OH-OD2 3.46Å; D157-F159 PolarHBondContact O-N 2.85Å; D157-F159 WeakPolarHBondContact OD1-CA 3.36Å; D157-F159 PolarHBondContact OD1-N 2.78Å; D157-Y196 HydrophobicContact CB-CG 4.23Å
158P93.1Very high84.3Confident86 Ų8678.2 Ų78.256%0.55842%0.424SS*.  trans-80.1-4.6-179.835.2-34000112.3Q156 P160 Y196Q156-P158 VanDerWaalsContact O-CD 3.22Å; Q156-P158 WeakPolarHBondContact O-CD 3.1Å; P158-P160 HydrophobicContact CG-CB 4.43Å; P158-P160 HydrophobicContact CG-CG 4.47Å; P158-Y196 HydrophobicContact CG-CE1 4.19Å
159F94.1Very high84.6Confident57 Ų5775.6 Ų75.625%0.2541%0.414CS..  trans4669.5-170.8-171-127.9000112Y9 D157 I161 P169 Y308Y9-F159 HydrophobicContact CE1-CD2 4Å; Y9-F159 HydrophobicContact CE1-CE2 4.23Å; Y9-F159 AromaticContact CZ-CD2 3.9Å; D157-F159 PolarHBondContact O-N 2.85Å; D157-F159 WeakPolarHBondContact OD1-CA 3.36Å; D157-F159 PolarHBondContact OD1-N 2.78Å; F159-I161 HydrophobicContact CD2-CG1 3.77Å; F159-I161 HydrophobicContact CE1-CB 4.27Å; F159-I161 HydrophobicContact CE1-CG1 4.22Å; F159-I161 HydrophobicContact CE2-CB 4.27Å; F159-I161 HydrophobicContact CE2-CD1 4.44Å; F159-I161 HydrophobicContact CE2-CG1 3.34Å; F159-I161 HydrophobicContact CG-CG1 4.37Å; F159-I161 HydrophobicContact CZ-CB 4.09Å; F159-I161 HydrophobicContact CZ-CG1 3.61Å; F159-I161 PolarHBondContact O-N 3.03Å; F159-P169 HydrophobicContact CB-CB 4.38Å; F159-P169 HydrophobicContact CB-CG 4.16Å; F159-P169 HydrophobicContact CD1-CG 4.12Å; F159-P169 HydrophobicContact CD2-CB 3.7Å; F159-P169 HydrophobicContact CD2-CG 3.81Å; F159-P169 HydrophobicContact CE1-CG 4.46Å; F159-P169 HydrophobicContact CE2-CB 4.16Å; F159-P169 HydrophobicContact CE2-CG 4.18Å; F159-P169 HydrophobicContact CG-CB 4.1Å; F159-P169 HydrophobicContact CG-CG 3.77Å; F159-P169 HydrophobicContact CZ-CG 4.48Å; F159-Y308 AromaticContact CE2-CD1 3.98Å; F159-Y308 HydrophobicContact CE2-CD1 3.98Å; F159-Y308 AromaticContact CE2-CE1 3.49Å; F159-Y308 HydrophobicContact CE2-CE1 3.49Å; F159-Y308 VanDerWaalsContact CE2-CE1 3.49Å; F159-Y308 AromaticContact CE2-CZ 3.85Å; F159-Y308 AromaticContact CZ-CD1 3.97Å; F159-Y308 HydrophobicContact CZ-CD1 3.97Å; F159-Y308 AromaticContact CZ-CE1 3.73Å; F159-Y308 HydrophobicContact CZ-CE1 3.73Å
160P95.1Very high84.9Confident9 Ų968 Ų686%0.05838%0.381CS..  trans-78.336.8-167.536.1-36.7000113.2Y9 S52 P158 H199 Q242Y9-P160 HydrophobicContact CD2-CG 3.59Å; Y9-P160 HydrophobicContact CE2-CG 4.35Å; Y9-P160 HydrophobicContact CG-CG 3.79Å; S52-P160 VanDerWaalsContact O-CB 3.3Å; S52-P160 WeakPolarHBondContact O-CB 3.23Å; P158-P160 HydrophobicContact CG-CB 4.43Å; P158-P160 HydrophobicContact CG-CG 4.47Å; P160-H199 HydrophobicContact CB-CB 4.44Å; P160-H199 HydrophobicContact CG-CB 3.93Å; P160-Q242 PolarHBondContact O-NE2 3.18Å
161I93.7Very high85.4Confident18 Ų1864 Ų649%0.09237%0.365CS..  trans-79.6126.7175.7-56.5-51.8000108.5Y9 F159 Q242 Y308 Q309Y9-I161 HydrophobicContact CD1-CD1 3.83Å; Y9-I161 HydrophobicContact CE1-CD1 4.26Å; F159-I161 HydrophobicContact CD2-CG1 3.77Å; F159-I161 HydrophobicContact CE1-CB 4.27Å; F159-I161 HydrophobicContact CE1-CG1 4.22Å; F159-I161 HydrophobicContact CE2-CB 4.27Å; F159-I161 HydrophobicContact CE2-CD1 4.44Å; F159-I161 HydrophobicContact CE2-CG1 3.34Å; F159-I161 HydrophobicContact CG-CG1 4.37Å; F159-I161 HydrophobicContact CZ-CB 4.09Å; F159-I161 HydrophobicContact CZ-CG1 3.61Å; F159-I161 PolarHBondContact O-N 3.03Å; I161-Q242 HydrophobicContact CD1-CB 4Å; I161-Y308 HydrophobicContact CD1-CD1 4.32Å; I161-Y308 HydrophobicContact CD1-CD2 3.64Å; I161-Y308 HydrophobicContact CD1-CE2 4.34Å; I161-Y308 HydrophobicContact CD1-CG 3.63Å; I161-Y308 HydrophobicContact CG1-CD1 4.02Å; I161-Y308 HydrophobicContact CG1-CD2 4.21Å; I161-Y308 HydrophobicContact CG1-CG 3.83Å; I161-Y308 HydrophobicContact CG2-CG 4.49Å; I161-Q309 HydrophobicContact CG2-CG 4.1Å
162I90Very high86.3Confident9 Ų965.5 Ų65.55%0.04636%0.363CS..SBendtrans-75.3131.9176.9-62.9166.6000107.9L48 I49 I240 Q309 F317L48-I162 HydrophobicContact CB-CD1 4.31Å; L48-I162 HydrophobicContact CB-CG2 4.11Å; L48-I162 HydrophobicContact CD1-CG2 4.3Å; L48-I162 HydrophobicContact CD2-CG2 4.2Å; L48-I162 HydrophobicContact CG-CG2 4.45Å; I49-I162 HydrophobicContact CD1-CD1 4.26Å; I162-I240 HydrophobicContact CD1-CD1 3.94Å; I162-Q309 PolarHBondContact O-NE2 3.36Å; I162-F317 HydrophobicContact CB-CE1 4.17Å; I162-F317 HydrophobicContact CB-CZ 4.04Å; I162-F317 HydrophobicContact CG2-CD1 3.97Å; I162-F317 HydrophobicContact CG2-CD2 4.11Å; I162-F317 HydrophobicContact CG2-CE1 3.77Å; I162-F317 HydrophobicContact CG2-CE2 3.91Å; I162-F317 HydrophobicContact CG2-CG 4.14Å; I162-F317 HydrophobicContact CG2-CZ 3.72Å; I162-F317 VanDerWaalsContact O-CE1 3.27Å; I162-F317 WeakPolarHBondContact O-CE1 3.44Å
163G84.1Confident87.2Confident51 Ų5158.6 Ų58.653%0.52633%0.326SS..SBendtrans69.8-165.2-175.300000112.6
164S78.2Confident87.9Confident60 Ų6053.9 Ų53.942%0.4230%0.297SS..  trans-90.4147.5-176.3-68.20000112.3Q309 Q324S164-Q309 PolarHBondContact O-NE2 3.34Å; S164-Q309 VanDerWaalsContact O-NE2 3.14Å; S164-Q324 PolarHBondContact OG-NE2 3Å; S164-Q324 PolarHBondContact OG-OE1 3.47Å
165S81.1Confident88.4Confident35 Ų3549.6 Ų49.625%0.24528%0.279CS..  trans-141134.5174.8-169.40000110.5L167S165-L167 PolarHBondContact O-N 3.3Å; S165-L167 PolarHBondContact OG-N 3.4Å
166D81.5Confident88.1Confident98 Ų9852.7 Ų52.752%0.52429%0.294SS..SBendtrans-75-12.5172.2-61.7-46.9000112.9T331D166-T331 WeakPolarHBondContact OD1-CB 3.44Å; D166-T331 VanDerWaalsContact OD1-CG2 3.25Å; D166-T331 WeakPolarHBondContact OD1-CG2 3.43Å; D166-T331 PolarHBondContact OD1-OG1 3.16Å; D166-T331 WeakPolarHBondContact OD2-CB 3.43Å; D166-T331 PolarHBondContact OD2-OG1 2.92Å; D166-T331 VanDerWaalsContact OD2-OG1 3.06Å
167L87.4Confident87.2Confident32 Ų3245.9 Ų45.917%0.16827%0.267CS..SBendtrans-80.5144.5-179.2-65.2-178.4000111.1S165 N225 V306 Y308S165-L167 PolarHBondContact O-N 3.3Å; S165-L167 PolarHBondContact OG-N 3.4Å; L167-N225 HydrophobicContact CD1-CB 3.91Å; L167-N225 WeakPolarHBondContact CD1-ND2 3.32Å; L167-V306 HydrophobicContact CD1-CG1 3.63Å; L167-Y308 HydrophobicContact CB-CD1 3.85Å; L167-Y308 HydrophobicContact CB-CE1 3.6Å; L167-Y308 HydrophobicContact CD1-CD1 4.06Å; L167-Y308 HydrophobicContact CD1-CE1 4.22Å
168S90.5Very high85.6Confident34 Ų3447.4 Ų47.424%0.23827%0.271CS..PPolyproline II helixtrans-68.4152.5172.3-59.80000111.3L173 Y308S168-L173 VanDerWaalsContact O-CD1 3.28Å; S168-L173 WeakPolarHBondContact O-CD1 3.19Å; S168-Y308 WeakPolarHBondContact O-CE1 3.31Å; S168-Y308 PolarHBondContact O-OH 3.49Å
169P92.7Very high84.2Confident31 Ų3150.4 Ų50.420%0.20128%0.283CS..PPolyproline II helixtrans-52.8151.4167.8-26.533.4000112.6F159 G171 K172 L173F159-P169 HydrophobicContact CB-CB 4.38Å; F159-P169 HydrophobicContact CB-CG 4.16Å; F159-P169 HydrophobicContact CD1-CG 4.12Å; F159-P169 HydrophobicContact CD2-CB 3.7Å; F159-P169 HydrophobicContact CD2-CG 3.81Å; F159-P169 HydrophobicContact CE1-CG 4.46Å; F159-P169 HydrophobicContact CE2-CB 4.16Å; F159-P169 HydrophobicContact CE2-CG 4.18Å; F159-P169 HydrophobicContact CG-CB 4.1Å; F159-P169 HydrophobicContact CG-CG 3.77Å; F159-P169 HydrophobicContact CZ-CG 4.48Å; P169-G171 VanDerWaalsContact C-N 3.3Å; P169-G171 PolarHBondContact O-N 2.92Å; P169-K172 WeakPolarHBondContact O-CB 3.37Å; P169-K172 PolarHBondContact O-N 3.34Å; P169-L173 PolarHBondContact O-N 3.4Å; P169-L173 VanDerWaalsContact O-N 3.17Å
170M92.2Very high82.6Confident0 Ų048.2 Ų48.20%027%0.274CS..Hα-helixtrans-57.9-41.4-171-168.864.4-177.300112.2Y7 Y9 K172 L173 I174 A246 M304 V306 Y308Y7-M170 HydrophobicContact CD2-CB 3.65Å; Y7-M170 HydrophobicContact CD2-CG 3.84Å; Y7-M170 HydrophobicContact CE2-CB 4.04Å; Y7-M170 HydrophobicContact CG-CB 4.35Å; Y7-M170 HydrophobicContact CG-CG 4.09Å; Y9-M170 HydrophobicContact CE1-CB 3.98Å; Y9-M170 WeakPolarHBondContact OH-CB 3.19Å; Y9-M170 PolarHBondContact OH-N 3.17Å; M170-K172 VanDerWaalsContact C-N 3.27Å; M170-K172 PolarHBondContact O-N 3.45Å; M170-L173 PolarHBondContact O-N 3.25Å; M170-I174 HydrophobicContact CE-CG1 4.35Å; M170-I174 HydrophobicContact CG-CD1 4.04Å; M170-I174 HydrophobicContact CG-CG1 4.43Å; M170-I174 VanDerWaalsContact O-CG1 3.3Å; M170-I174 WeakPolarHBondContact O-CG1 3.48Å; M170-I174 PolarHBondContact O-N 2.64Å; M170-A246 HydrophobicContact CE-CB 3.33Å; M170-A246 HydrophobicContact CG-CB 4.42Å; M170-M304 HydrophobicContact CE-CB 4.07Å; M170-M304 HydrophobicContact CE-CE 4.33Å; M170-M304 HydrophobicContact CE-CG 3.73Å; M170-M304 HydrophobicContact CE-SD 3.74Å; M170-V306 HydrophobicContact CE-CG2 4.19Å; M170-V306 HydrophobicContact SD-CB 4.23Å; M170-V306 HydrophobicContact SD-CG2 3.73Å; M170-Y308 PolarHBondContact N-OH 3.01Å
171G90.3Very high81Confident10 Ų1048.2 Ų48.210%0.10327%0.273CS..Hα-helixtrans-54.9-40.117500000113.4P169 C175P169-G171 VanDerWaalsContact C-N 3.3Å; P169-G171 PolarHBondContact O-N 2.92Å; G171-C175 PolarHBondContact O-N 3.11Å; G171-C175 PolarHBondContact O-SG 3.33Å; G171-C175 VanDerWaalsContact O-SG 3.33Å
172K89.4Confident79.2Confident131 Ų13151 Ų5157%0.5729%0.293SS*.Hα-helixtrans-72.4-34.2176.4-67.9-173.5-176.2173.80112.4P169 M170 C175 K176P169-K172 WeakPolarHBondContact O-CB 3.37Å; P169-K172 PolarHBondContact O-N 3.34Å; M170-K172 VanDerWaalsContact C-N 3.27Å; M170-K172 PolarHBondContact O-N 3.45Å; K172-C175 PolarHBondContact O-N 3.31Å; K172-K176 WeakPolarHBondContact O-CG 3.46Å; K172-K176 PolarHBondContact O-N 3.44Å
173L89.2Confident77.6Confident13 Ų1352.5 Ų52.57%0.06830%0.301CS..Hα-helixtrans-70.3-38.4178.6-66.9177.3000111.9S168 P169 M170 C175 K176 S177 M304 V306S168-L173 VanDerWaalsContact O-CD1 3.28Å; S168-L173 WeakPolarHBondContact O-CD1 3.19Å; P169-L173 PolarHBondContact O-N 3.4Å; P169-L173 VanDerWaalsContact O-N 3.17Å; M170-L173 PolarHBondContact O-N 3.25Å; L173-C175 VanDerWaalsContact C-N 3.33Å; L173-K176 PolarHBondContact O-N 3.37Å; L173-K176 VanDerWaalsContact O-N 3.17Å; L173-S177 WeakPolarHBondContact O-CB 3.44Å; L173-S177 PolarHBondContact O-N 3.27Å; L173-S177 PolarHBondContact O-OG 3.19Å; L173-M304 HydrophobicContact CB-CE 4.03Å; L173-V306 HydrophobicContact CD1-CB 4.31Å; L173-V306 HydrophobicContact CD1-CG1 3.87Å; L173-V306 HydrophobicContact CD1-CG2 3.8Å
174I88Confident76.1Confident2 Ų259.3 Ų59.31%0.0132%0.319CS..Hα-helixtrans-58.9-47.5172.4-65.8159.8000109.7I5 Y7 M170 K176 S177 A246 M304I5-I174 HydrophobicContact CD1-CG2 3.52Å; I5-I174 HydrophobicContact CG2-CD1 3.96Å; I5-I174 HydrophobicContact CG2-CG2 4.16Å; Y7-I174 HydrophobicContact CD1-CD1 3.64Å; Y7-I174 HydrophobicContact CE1-CD1 4.42Å; Y7-I174 HydrophobicContact CG-CD1 3.77Å; M170-I174 HydrophobicContact CE-CG1 4.35Å; M170-I174 HydrophobicContact CG-CD1 4.04Å; M170-I174 HydrophobicContact CG-CG1 4.43Å; M170-I174 VanDerWaalsContact O-CG1 3.3Å; M170-I174 WeakPolarHBondContact O-CG1 3.48Å; M170-I174 PolarHBondContact O-N 2.64Å; I174-K176 PolarHBondContact O-N 2.94Å; I174-S177 CarbonylContact O-C 3.58Å; I174-S177 PolarHBondContact O-N 2.87Å; I174-A246 HydrophobicContact CD1-CB 3.63Å; I174-A246 HydrophobicContact CG1-CB 3.96Å; I174-M304 HydrophobicContact CG1-SD 4.26Å
175C81.5Confident74.7Confident55 Ų5562 Ų6237%0.37233%0.329SS..Hα-helixtrans-64.1-19.7177.9-68.60000114.8G171 K172 L173 F178G171-C175 PolarHBondContact O-N 3.11Å; G171-C175 PolarHBondContact O-SG 3.33Å; G171-C175 VanDerWaalsContact O-SG 3.33Å; K172-C175 PolarHBondContact O-N 3.31Å; L173-C175 VanDerWaalsContact C-N 3.33Å; C175-F178 VanDerWaalsContact CA-CE1 3.47Å; C175-F178 VanDerWaalsContact CA-CZ 3.46Å; C175-F178 HydrophobicContact CB-CE1 4.17Å; C175-F178 HydrophobicContact CB-CZ 3.84Å; C175-F178 VanDerWaalsContact O-CD2 3.24Å; C175-F178 WeakPolarHBondContact O-CD2 3.4Å; C175-F178 WeakPolarHBondContact O-CE2 3.29Å; C175-F178 WeakPolarHBondContact O-CZ 3.16Å
176K76.5Confident73.3Confident151 Ų15162.9 Ų62.966%0.65733%0.332SS*.Hα-helixtrans-89.7-15.3175-72.5176.9179.3-179.90112.7K172 L173 I174K172-K176 WeakPolarHBondContact O-CG 3.46Å; K172-K176 PolarHBondContact O-N 3.44Å; L173-K176 PolarHBondContact O-N 3.37Å; L173-K176 VanDerWaalsContact O-N 3.17Å; I174-K176 PolarHBondContact O-N 2.94Å
177S70.7Confident71.8Confident37 Ų3767.6 Ų67.626%0.25935%0.348SS..  trans-123.540.8-168.5-40.70000110.7L173 I174 D179 V180L173-S177 WeakPolarHBondContact O-CB 3.44Å; L173-S177 PolarHBondContact O-N 3.27Å; L173-S177 PolarHBondContact O-OG 3.19Å; I174-S177 CarbonylContact O-C 3.58Å; I174-S177 PolarHBondContact O-N 2.87Å; S177-D179 PolarHBondContact O-N 2.81Å; S177-D179 VanDerWaalsContact O-N 3.11Å; S177-V180 VanDerWaalsContact CB-CG2 3.44Å; S177-V180 WeakPolarHBondContact O-CB 3.42Å; S177-V180 WeakPolarHBondContact O-CG2 3.42Å; S177-V180 PolarHBondContact O-N 3.04Å
178F57.8Low70.1Confident76 Ų7671.5 Ų71.533%0.33339%0.385SS..G310 helixtrans-55.8-33-172.1-68.1-58.3000114.3C175 V180 F181 P192C175-F178 VanDerWaalsContact CA-CE1 3.47Å; C175-F178 VanDerWaalsContact CA-CZ 3.46Å; C175-F178 HydrophobicContact CB-CE1 4.17Å; C175-F178 HydrophobicContact CB-CZ 3.84Å; C175-F178 VanDerWaalsContact O-CD2 3.24Å; C175-F178 WeakPolarHBondContact O-CD2 3.4Å; C175-F178 WeakPolarHBondContact O-CE2 3.29Å; C175-F178 WeakPolarHBondContact O-CZ 3.16Å; F178-V180 PolarHBondContact O-N 2.83Å; F178-F181 PolarHBondContact O-N 2.85Å; F178-P192 HydrophobicContact CD1-CG 3.29Å; F178-P192 HydrophobicContact CE1-CG 3.39Å
179D64.4Low68.2Low150 Ų15074.4 Ų74.480%0.80241%0.411SS*.G310 helixtrans-63.7-12.3178.2-56.1-33.1000113.4S177 F181S177-D179 PolarHBondContact O-N 2.81Å; S177-D179 VanDerWaalsContact O-N 3.11Å; D179-F181 PolarHBondContact O-N 3.36Å
180V60.8Low66.6Low11 Ų1179 Ų797%0.06743%0.43CS..G310 helixtrans-60.7-46.2-179.5163.50000110.9S177 F178 P182 Y222 M304S177-V180 VanDerWaalsContact CB-CG2 3.44Å; S177-V180 WeakPolarHBondContact O-CB 3.42Å; S177-V180 WeakPolarHBondContact O-CG2 3.42Å; S177-V180 PolarHBondContact O-N 3.04Å; F178-V180 PolarHBondContact O-N 2.83Å; V180-P182 WeakPolarHBondContact O-CD 3.42Å; V180-Y222 VanDerWaalsContact C-CE2 3.49Å; V180-Y222 WeakPolarHBondContact CA-OH 3Å; V180-Y222 HydrophobicContact CB-CD1 4.19Å; V180-Y222 HydrophobicContact CB-CD2 3.86Å; V180-Y222 HydrophobicContact CB-CE1 4.11Å; V180-Y222 HydrophobicContact CB-CE2 3.76Å; V180-Y222 HydrophobicContact CB-CG 4.03Å; V180-Y222 HydrophobicContact CG1-CD1 4.1Å; V180-Y222 HydrophobicContact CG1-CD2 3.01Å; V180-Y222 HydrophobicContact CG1-CE1 4.32Å; V180-Y222 HydrophobicContact CG1-CE2 3.29Å; V180-Y222 HydrophobicContact CG1-CG 3.43Å; V180-Y222 VanDerWaalsContact CG1-CG 3.43Å; V180-Y222 HydrophobicContact CG2-CD1 3.57Å; V180-Y222 HydrophobicContact CG2-CD2 4.09Å; V180-Y222 HydrophobicContact CG2-CE1 3.74Å; V180-Y222 HydrophobicContact CG2-CE2 4.23Å; V180-Y222 HydrophobicContact CG2-CG 3.72Å; V180-Y222 WeakPolarHBondContact O-CE2 3.28Å; V180-Y222 PolarHBondContact O-OH 2.74Å; V180-M304 HydrophobicContact CG1-CB 4.04Å; V180-M304 HydrophobicContact CG1-CG 4.4Å; V180-M304 HydrophobicContact CG1-SD 4.35Å
181F61.6Low65.3Low9 Ų982.8 Ų82.84%0.03946%0.456CS..SBendtrans-10585.9179.6-56-75.7000108.4Q3 I5 F178 D179 N183 A246 D248 M304Q3-F181 PolarHBondContact NE2-O 3.35Å; Q3-F181 PolarHBondContact OE1-O 3.12Å; I5-F181 HydrophobicContact CD1-CD2 3.41Å; I5-F181 VanDerWaalsContact CD1-CD2 3.41Å; I5-F181 HydrophobicContact CD1-CE2 3.84Å; I5-F181 HydrophobicContact CD1-CG 4.19Å; I5-F181 HydrophobicContact CG1-CD2 3.98Å; I5-F181 HydrophobicContact CG1-CE2 4.27Å; I5-F181 HydrophobicContact CG1-CG 4.44Å; I5-F181 HydrophobicContact CG2-CE2 3.97Å; I5-F181 HydrophobicContact CG2-CZ 4.33Å; F178-F181 PolarHBondContact O-N 2.85Å; D179-F181 PolarHBondContact O-N 3.36Å; F181-N183 PolarHBondContact O-N 3.42Å; F181-A246 HydrophobicContact CZ-CB 4.15Å; F181-D248 HydrophobicContact CB-CB 4.21Å; F181-D248 HydrophobicContact CD1-CB 3.87Å; F181-D248 HydrophobicContact CG-CB 4.2Å; F181-M304 HydrophobicContact CE2-CB 4.39Å; F181-M304 HydrophobicContact CZ-CB 3.82Å
182P56Low64.3Low77 Ų7783.1 Ų83.150%0.546%0.457SS..  trans-62.8128.617724.9-32.4000109.3V180V180-P182 WeakPolarHBondContact O-CD 3.42Å
183N54.9Low63.8Low40 Ų4080.3 Ų80.321%0.21445%0.447CS..  trans-111107.7170178.4-1.3000107.8M1 Q3 F181 N185 T186M1-N183 PolarHBondContact O-ND2 3.43Å; Q3-N183 HydrophobicContact CB-CB 4.49Å; F181-N183 PolarHBondContact O-N 3.42Å; N183-N185 PolarHBondContact O-N 3.04Å; N183-N185 VanDerWaalsContact O-N 3.1Å; N183-N185 WeakPolarHBondContact OD1-CA 3.36Å; N183-N185 WeakPolarHBondContact OD1-CB 3.39Å; N183-N185 PolarHBondContact OD1-N 3.32Å; N183-T186 HydrophobicContact CB-CG2 4.44Å; N183-T186 VanDerWaalsContact CB-OG1 3.26Å; N183-T186 WeakPolarHBondContact CB-OG1 3.46Å; N183-T186 WeakPolarHBondContact ND2-CG2 3.48Å; N183-T186 PolarHBondContact O-N 2.64Å; N183-T186 PolarHBondContact O-OG1 2.76Å; N183-T186 VanDerWaalsContact O-OG1 3.08Å
184E52.9Low63.7Low194 Ų19481.4 Ų81.491%0.90746%0.456SS*.THydrogen-bonded Turntrans-61.3-17178.5-65.3-175.9172.200112.5
185N50.5Low63.9Low117 Ų11782.8 Ų82.863%0.62647%0.465SS*.THydrogen-bonded Turntrans-108.47.6-173.1-71.6-42.1000115N183N183-N185 PolarHBondContact O-N 3.04Å; N183-N185 VanDerWaalsContact O-N 3.1Å; N183-N185 WeakPolarHBondContact OD1-CA 3.36Å; N183-N185 WeakPolarHBondContact OD1-CB 3.39Å; N183-N185 PolarHBondContact OD1-N 3.32Å
186T50.4Low64.5Low52 Ų5280.8 Ų80.832%0.31945%0.449SS..  trans-95.2123.8174.627.80000111.9N183 A188N183-T186 HydrophobicContact CB-CG2 4.44Å; N183-T186 VanDerWaalsContact CB-OG1 3.26Å; N183-T186 WeakPolarHBondContact CB-OG1 3.46Å; N183-T186 WeakPolarHBondContact ND2-CG2 3.48Å; N183-T186 PolarHBondContact O-N 2.64Å; N183-T186 PolarHBondContact O-OG1 2.76Å; N183-T186 VanDerWaalsContact O-OG1 3.08Å; T186-A188 PolarHBondContact O-N 2.95Å
187K49.3Very low65.4Low198 Ų19874 Ų7486%0.86142%0.421SS*.  trans-57.6128.5154-66.5-178.1179.4-179.90106.6A189K187-A189 PolarHBondContact O-N 3.09Å
188A52.2Low66.6Low113 Ų11372.3 Ų72.393%0.93441%0.409SS*.THydrogen-bonded Turntrans-60.722.7-162.100000118.6T186T186-A188 PolarHBondContact O-N 2.95Å
189A51.6Low68.5Low96 Ų9668.7 Ų68.779%0.79339%0.394SS*.THydrogen-bonded Turntrans-125.5-2.1-168.300000116.5K187K187-A189 PolarHBondContact O-N 3.09Å
190E59.3Low70.1Confident127 Ų12761.6 Ų61.659%0.59336%0.355SS*.  trans-104.8120.9176.9-73.3-174.4-161.100111.9
191S64.4Low71.9Confident79 Ų7961 Ų6155%0.55235%0.352SS*.  trans-60.5134.1170-53.50000110.1K2K2-S191 WeakPolarHBondContact CE-O 3.46Å
192P68.5Low73.7Confident18 Ų1860.6 Ų60.612%0.11735%0.35CS..  trans-57.7149.4175.822.7-34.4000112Q3 I5 F178 S194Q3-P192 HydrophobicContact CB-CB 3.93Å; Q3-P192 HydrophobicContact CG-CB 3.69Å; I5-P192 HydrophobicContact CD1-CB 3.69Å; I5-P192 HydrophobicContact CD1-CG 3.87Å; I5-P192 HydrophobicContact CG1-CB 4.3Å; F178-P192 HydrophobicContact CD1-CG 3.29Å; F178-P192 HydrophobicContact CE1-CG 3.39Å; P192-S194 PolarHBondContact O-N 3.31Å
193I79.1Confident75.7Confident72 Ų7257 Ų5737%0.36933%0.327SS..EExtended strand (participates in β ladder)trans-82.5114.9167.9-63.3168.2000106.7K2 Q3 I5K2-I193 HydrophobicContact CD-CD1 3.61Å; K2-I193 HydrophobicContact CD-CG1 3.86Å; K2-I193 VanDerWaalsContact CE-CG1 3.5Å; K2-I193 VanDerWaalsContact NZ-CG1 3.32Å; Q3-I193 PolarHBondContact O-N 2.71Å; Q3-I193 VanDerWaalsContact O-N 3.1Å; I5-I193 PolarHBondContact N-O 3.1Å
194S87.4Confident77.7Confident35 Ų3555 Ų5525%0.24532%0.316CS..EExtended strand (participates in β ladder)trans-97.5122.4168.463.10000110.1I5 P192I5-S194 CarbonylContact O-C 3.58Å; I5-S194 VanDerWaalsContact O-CA 3.3Å; I5-S194 WeakPolarHBondContact O-CA 3.15Å; P192-S194 PolarHBondContact O-N 3.31Å
195T92.4Very high79.8Confident32 Ų3245.8 Ų45.820%0.19627%0.273CS..EExtended strand (participates in β ladder)trans-113.3127.1-179.3-58.90000110.3I5 L6 Y7 A197I5-T195 PolarHBondContact O-N 3.15Å; L6-T195 WeakPolarHBondContact CA-O 3.48Å; Y7-T195 VanDerWaalsContact CD1-O 3.31Å; Y7-T195 WeakPolarHBondContact CD1-O 3.26Å; Y7-T195 PolarHBondContact N-O 2.95Å; T195-A197 PolarHBondContact O-N 2.96Å
196Y94.4Very high81.7Confident13 Ų1340.3 Ų40.35%0.05124%0.244CC..EExtended strand (participates in β ladder)trans-72.3119.5171.6175.5-121.9000110.4Y7 Y9 R155 Q156 D157 P158 G198 H199Y7-Y196 HydrophobicContact CD2-CD2 4.1Å; Y7-Y196 AromaticContact CE2-CD2 3.69Å; Y7-Y196 HydrophobicContact CE2-CD2 3.69Å; Y7-Y196 HydrophobicContact CE2-CG 4.25Å; Y9-Y196 HydrophobicContact CD2-CD2 4.44Å; Y9-Y196 AromaticContact CD2-CE2 3.68Å; Y9-Y196 HydrophobicContact CD2-CE2 3.68Å; Y9-Y196 HydrophobicContact CE2-CD2 4.22Å; Y9-Y196 AromaticContact CE2-CE2 3.83Å; Y9-Y196 HydrophobicContact CE2-CE2 3.83Å; R155-Y196 HydrophobicContact CB-CD1 3.87Å; Q156-Y196 WeakPolarHBondContact O-CD1 3.49Å; D157-Y196 HydrophobicContact CB-CG 4.23Å; P158-Y196 HydrophobicContact CG-CE1 4.19Å; Y196-G198 VanDerWaalsContact CE2-C 3.48Å; Y196-G198 WeakPolarHBondContact CE2-O 3.39Å; Y196-G198 VanDerWaalsContact CZ-C 3.42Å; Y196-G198 WeakPolarHBondContact OH-CA 3.01Å; Y196-G198 PolarHBondContact OH-O 3.5Å; Y196-H199 PolarHBondContact OH-N 3.14Å
197A95.4Very high83.4Confident8 Ų837.9 Ų37.97%0.06623%0.23CC..EExtended strand (participates in β ladder)trans-98.6-15.4-175.300000113.9L6 Y7 F8 L143 T195L6-A197 HydrophobicContact CB-CB 4.47Å; L6-A197 HydrophobicContact CD2-CB 3.92Å; L6-A197 HydrophobicContact CG-CB 4.11Å; Y7-A197 PolarHBondContact O-N 2.88Å; F8-A197 HydrophobicContact CB-CB 4.39Å; L143-A197 HydrophobicContact CB-CB 4.22Å; L143-A197 HydrophobicContact CD2-CB 4.38Å; T195-A197 PolarHBondContact O-N 2.96Å
198G95.5Very high85.5Confident1 Ų128.5 Ų28.51%0.0119%0.189CC..EExtended strand (participates in β ladder)trans135.3-172.4175.800000115F8 Y9 D55 Y196F8-G198 VanDerWaalsContact CA-O 3.22Å; F8-G198 WeakPolarHBondContact CA-O 2.79Å; F8-G198 WeakPolarHBondContact CB-O 3.24Å; Y9-G198 PolarHBondContact N-O 2.66Å; D55-G198 WeakPolarHBondContact OD2-CA 3.32Å; Y196-G198 VanDerWaalsContact CE2-C 3.48Å; Y196-G198 WeakPolarHBondContact CE2-O 3.39Å; Y196-G198 VanDerWaalsContact CZ-C 3.42Å; Y196-G198 WeakPolarHBondContact OH-CA 3.01Å; Y196-G198 PolarHBondContact OH-O 3.5Å
199H97.5Very high87.5Confident1 Ų123.1 Ų23.11%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-124.6125.9178.6-179.1-154000110.2Y9 T11 S52 D55 I56 P160 Y196Y9-H199 WeakPolarHBondContact O-CA 3.46Å; Y9-H199 PolarHBondContact O-CD2 2.69Å; T11-H199 WeakPolarHBondContact CB-NE2 3.35Å; T11-H199 PolarHBondContact OG1-CE1 3.11Å; T11-H199 PolarHBondContact OG1-NE2 3.48Å; S52-H199 PolarHBondContact O-CE1 2.83Å; S52-H199 PolarHBondContact O-ND1 3.4Å; S52-H199 PolarHBondContact OG-CE1 3.14Å; D55-H199 WeakPolarHBondContact CB-O 3.22Å; D55-H199 PolarHBondContact N-O 2.72Å; D55-H199 PolarHBondContact OD2-N 2.96Å; I56-H199 PolarHBondContact N-O 2.93Å; P160-H199 HydrophobicContact CB-CB 4.44Å; P160-H199 HydrophobicContact CG-CB 3.93Å; Y196-H199 PolarHBondContact OH-N 3.14Å
200V98.6Very high89.1Confident0 Ų019.2 Ų19.20%011%0.109CC..EExtended strand (participates in β ladder)trans-114.7122.4-177.6-172.10000109.7F8 Y9 L10 T11 I56 I58 L139 I202F8-V200 HydrophobicContact CD2-CG2 4.24Å; Y9-V200 PolarHBondContact O-N 3.43Å; L10-V200 CarbonylContact C-O 3.6Å; L10-V200 WeakPolarHBondContact CA-O 3.22Å; L10-V200 HydrophobicContact CD2-CB 3.99Å; L10-V200 HydrophobicContact CD2-CG1 4.48Å; T11-V200 PolarHBondContact N-O 3.23Å; I56-V200 HydrophobicContact CB-CG1 4.14Å; I56-V200 HydrophobicContact CB-CG2 4.26Å; I56-V200 HydrophobicContact CD1-CG2 4.32Å; I56-V200 HydrophobicContact CG2-CG1 4.08Å; I56-V200 CarbonylContact O-C 3.58Å; I56-V200 WeakPolarHBondContact O-CA 3.32Å; I58-V200 HydrophobicContact CD1-CG1 4.1Å; L139-V200 HydrophobicContact CD1-CG1 4.23Å; L139-V200 HydrophobicContact CD1-CG2 4.21Å; L139-V200 HydrophobicContact CD2-CG1 4.3Å; V200-I202 HydrophobicContact CG1-CG1 4.03Å
201L98.7Very high90.4Very high0 Ų013.4 Ų13.40%08%0.082CC..EExtended strand (participates in β ladder)trans-88.9127.9166.5174.864.7000109.1T11 L13 I49 P54 I56 I57 I58 V72 T73 V203T11-L201 HydrophobicContact CG2-CD1 3.71Å; T11-L201 CarbonylContact O-C 3.55Å; T11-L201 WeakPolarHBondContact O-CA 3.32Å; L13-L201 HydrophobicContact CB-CD1 4.13Å; I49-L201 HydrophobicContact CD1-CD1 4.16Å; I49-L201 HydrophobicContact CG2-CD1 4.46Å; I49-L201 HydrophobicContact CG2-CD2 3.57Å; P54-L201 HydrophobicContact CB-CB 3.67Å; P54-L201 HydrophobicContact CG-CB 4.03Å; P54-L201 HydrophobicContact CG-CD2 4.3Å; I56-L201 PolarHBondContact O-N 3.25Å; I57-L201 HydrophobicContact CG1-CB 4.22Å; I57-L201 HydrophobicContact CG1-CD2 4.24Å; I57-L201 HydrophobicContact CG2-CD2 4.01Å; I57-L201 HydrophobicContact CG2-CG 4.44Å; I58-L201 PolarHBondContact N-O 3.42Å; V72-L201 HydrophobicContact CG2-CD2 4.42Å; T73-L201 HydrophobicContact CG2-CD2 3.87Å; L201-V203 HydrophobicContact CD1-CG2 4.34Å; L201-V203 HydrophobicContact CD2-CG2 4.16Å; L201-V203 HydrophobicContact CG-CG2 4.02Å
202I98.8Very high91.7Very high0 Ų09.7 Ų9.70%06%0.056CC..EExtended strand (participates in β ladder)trans-119.4115.2172.6-57.9171.7000108.5L10 T11 L12 L13 I58 I84 F135 L139 V200 W208 F212L10-I202 HydrophobicContact CD2-CD1 3.87Å; T11-I202 PolarHBondContact O-N 3.48Å; L12-I202 WeakPolarHBondContact CA-O 2.84Å; L12-I202 HydrophobicContact CD2-CB 3.93Å; L12-I202 HydrophobicContact CD2-CD1 3.87Å; L12-I202 HydrophobicContact CD2-CG1 4.31Å; L13-I202 PolarHBondContact N-O 3.02Å; I58-I202 CarbonylContact O-C 3.58Å; I58-I202 VanDerWaalsContact O-CA 3.32Å; I58-I202 WeakPolarHBondContact O-CA 3.43Å; I84-I202 HydrophobicContact CD1-CG2 3.69Å; F135-I202 HydrophobicContact CE1-CD1 3.67Å; F135-I202 HydrophobicContact CZ-CD1 3.78Å; F135-I202 HydrophobicContact CZ-CG1 4.37Å; L139-I202 HydrophobicContact CD2-CD1 4.43Å; V200-I202 HydrophobicContact CG1-CG1 4.03Å; I202-W208 HydrophobicContact CD1-CH2 4.46Å; I202-W208 HydrophobicContact CG2-CH2 4.19Å; I202-W208 HydrophobicContact CG2-CZ3 3.8Å; I202-F212 HydrophobicContact CD1-CE1 3.9Å; I202-F212 HydrophobicContact CD1-CZ 4.47Å
203V98.6Very high92.8Very high0 Ų09 Ų90%05%0.051CC..EExtended strand (participates in β ladder)trans-99.2115.5174.5-1700000109L13 I58 S59 S60 A65 T68 A69 L201L13-V203 HydrophobicContact CB-CG2 4.35Å; L13-V203 HydrophobicContact CD2-CG1 4.32Å; L13-V203 HydrophobicContact CD2-CG2 4.08Å; L13-V203 HydrophobicContact CG-CG1 4.47Å; L13-V203 CarbonylContact O-C 3.58Å; L13-V203 WeakPolarHBondContact O-CA 3.1Å; I58-V203 PolarHBondContact O-N 3.08Å; S59-V203 CarbonylContact C-O 3.55Å; S59-V203 VanDerWaalsContact CA-O 3.31Å; S59-V203 WeakPolarHBondContact CA-O 3.25Å; S59-V203 PolarHBondContact OG-O 3.11Å; S60-V203 PolarHBondContact N-O 3.41Å; A65-V203 WeakPolarHBondContact O-CG1 3.26Å; T68-V203 HydrophobicContact CG2-CG1 3.98Å; A69-V203 HydrophobicContact CB-CB 4.05Å; A69-V203 HydrophobicContact CB-CG1 4.26Å; A69-V203 HydrophobicContact CB-CG2 3.84Å; L201-V203 HydrophobicContact CD1-CG2 4.34Å; L201-V203 HydrophobicContact CD2-CG2 4.16Å; L201-V203 HydrophobicContact CG-CG2 4.02Å
204G97.3Very high93Very high0 Ų05.7 Ų5.70%03%0.034CC..EExtended strand (participates in β ladder)trans-144.5-161-169.700000114L13 H15L13-G204 PolarHBondContact O-N 3.2Å; H15-G204 PolarHBondContact CD2-O 3.05Å; H15-G204 PolarHBondContact N-O 3.48Å
205H95.5Very high93Very high0 Ų04.3 Ų4.30%02%0.024CC..  trans-110.3149.2-179.7-49.8-91.2000108.7H15 S60 R64 I84 E86 G207 W208 I209H15-H205 AromaticContact CD2-CG 3.97Å; H15-H205 AromaticContact CD2-ND1 3.28Å; H15-H205 PolarHBondContact CD2-ND1 3.26Å; H15-H205 VanDerWaalsContact CD2-ND1 3.28Å; H15-H205 AromaticContact NE2-ND1 3.55Å; S60-H205 WeakPolarHBondContact CB-NE2 3.05Å; S60-H205 PolarHBondContact OG-NE2 2.61Å; R64-H205 VanDerWaalsContact CZ-CE1 3.41Å; R64-H205 PolarHBondContact NE-CE1 3.04Å; R64-H205 VanDerWaalsContact NE-CE1 3.27Å; R64-H205 PolarHBondContact NE-ND1 3.14Å; R64-H205 PolarHBondContact NH2-CE1 2.71Å; R64-H205 VanDerWaalsContact NH2-CE1 3.28Å; R64-H205 PolarHBondContact NH2-ND1 3.1Å; I84-H205 PolarHBondContact O-CD2 3.34Å; E86-H205 HydrophobicContact CB-CB 3.7Å; E86-H205 HydrophobicContact CG-CB 4.28Å; E86-H205 PolarHBondContact N-CD2 3.41Å; E86-H205 WeakPolarHBondContact OE2-CB 3.47Å; H205-G207 PolarHBondContact O-N 3.38Å; H205-G207 VanDerWaalsContact O-N 3.09Å; H205-W208 PolarHBondContact O-N 2.71Å; H205-I209 WeakPolarHBondContact O-CB 3.45Å; H205-I209 WeakPolarHBondContact O-CG1 3.24Å; H205-I209 PolarHBondContact O-N 2.64Å
206G90Very high92.9Very high1 Ų12.8 Ų2.81%0.012%0.015CC..Hα-helixtrans-60.1-29.5-171.300000111.7I209 R210 E351G206-I209 CarbonylContact O-C 3.55Å; G206-I209 PolarHBondContact O-N 3.29Å; G206-R210 WeakPolarHBondContact O-CB 3.2Å; G206-R210 PolarHBondContact O-N 3.45Å; G206-E351 VanDerWaalsContact CA-CD 3.47Å; G206-E351 WeakPolarHBondContact CA-OE1 3.43Å; G206-E351 WeakPolarHBondContact CA-OE2 3.47Å; G206-E351 PolarHBondContact N-OE1 3.23Å; G206-E351 VanDerWaalsContact N-OE1 3.08Å
207G88Confident92.5Very high2 Ų22.4 Ų2.42%0.0211%0.014CC..Hα-helixtrans-81.7-39.4-167.200000109.6E86 M128 H205 Q211 E351E86-G207 VanDerWaalsContact OE1-CA 3.28Å; E86-G207 WeakPolarHBondContact OE1-CA 3.5Å; E86-G207 WeakPolarHBondContact OE2-CA 3.29Å; E86-G207 PolarHBondContact OE2-N 3.27Å; M128-G207 WeakPolarHBondContact CE-O 3.38Å; H205-G207 PolarHBondContact O-N 3.38Å; H205-G207 VanDerWaalsContact O-N 3.09Å; G207-Q211 WeakPolarHBondContact O-CB 3.39Å; G207-Q211 PolarHBondContact O-N 3.1Å; G207-E351 VanDerWaalsContact CA-CG 3.48Å; G207-E351 WeakPolarHBondContact CA-OE2 2.71Å; G207-E351 PolarHBondContact N-OE1 2.97Å; G207-E351 PolarHBondContact N-OE2 3.24Å
208W92.2Very high91.9Very high0 Ų05.2 Ų5.20%03%0.025CC..Hα-helixtrans-63.7-45.9167.1-173.784.8000111.9R83 I84 R85 M128 T132 F135 I202 H205 R210 Q211 F212R83-W208 PolarHBondContact O-NE1 3.38Å; I84-W208 HydrophobicContact CB-CD2 3.74Å; I84-W208 HydrophobicContact CB-CE3 4.03Å; I84-W208 HydrophobicContact CB-CG 4.29Å; I84-W208 HydrophobicContact CB-CH2 4.18Å; I84-W208 HydrophobicContact CB-CZ2 3.89Å; I84-W208 HydrophobicContact CB-CZ3 4.25Å; I84-W208 HydrophobicContact CG2-CD2 4.07Å; I84-W208 VanDerWaalsContact CG2-CE2 3.45Å; I84-W208 HydrophobicContact CG2-CE3 4.39Å; I84-W208 HydrophobicContact CG2-CH2 3.63Å; I84-W208 HydrophobicContact CG2-CZ2 3.22Å; I84-W208 HydrophobicContact CG2-CZ3 4.2Å; R85-W208 WeakPolarHBondContact O-CB 3.09Å; M128-W208 HydrophobicContact CE-CB 4.06Å; T132-W208 HydrophobicContact CG2-CZ2 4.18Å; T132-W208 VanDerWaalsContact OG1-CD1 3.32Å; T132-W208 PolarHBondContact OG1-NE1 3.11Å; F135-W208 AromaticContact CD1-CH2 3.83Å; F135-W208 HydrophobicContact CD1-CH2 3.83Å; F135-W208 AromaticContact CD1-CZ2 3.56Å; F135-W208 HydrophobicContact CD1-CZ2 3.56Å; F135-W208 AromaticContact CE1-CH2 3.69Å; F135-W208 HydrophobicContact CE1-CH2 3.69Å; F135-W208 AromaticContact CE1-CZ2 3.92Å; F135-W208 HydrophobicContact CE1-CZ2 3.92Å; F135-W208 HydrophobicContact CG-CZ2 4.14Å; F135-W208 HydrophobicContact CZ-CH2 4.46Å; I202-W208 HydrophobicContact CD1-CH2 4.46Å; I202-W208 HydrophobicContact CG2-CH2 4.19Å; I202-W208 HydrophobicContact CG2-CZ3 3.8Å; H205-W208 PolarHBondContact O-N 2.71Å; W208-R210 VanDerWaalsContact C-N 3.32Å; W208-R210 PolarHBondContact O-N 2.67Å; W208-Q211 PolarHBondContact O-N 3.04Å; W208-F212 HydrophobicContact CE3-CB 4.31Å; W208-F212 HydrophobicContact CH2-CB 3.96Å; W208-F212 AromaticContact CH2-CD1 3.54Å; W208-F212 HydrophobicContact CH2-CD1 3.54Å; W208-F212 HydrophobicContact CH2-CD2 4.14Å; W208-F212 AromaticContact CH2-CE1 3.98Å; W208-F212 HydrophobicContact CH2-CE1 3.98Å; W208-F212 AromaticContact CH2-CG 3.63Å; W208-F212 HydrophobicContact CH2-CG 3.63Å; W208-F212 HydrophobicContact CH2-CZ 4.46Å; W208-F212 HydrophobicContact CZ2-CB 4.22Å; W208-F212 HydrophobicContact CZ2-CD1 4.42Å; W208-F212 HydrophobicContact CZ2-CD2 4.26Å; W208-F212 HydrophobicContact CZ2-CG 4.07Å; W208-F212 HydrophobicContact CZ3-CB 4.01Å; W208-F212 AromaticContact CZ3-CD1 3.79Å; W208-F212 HydrophobicContact CZ3-CD1 3.79Å; W208-F212 HydrophobicContact CZ3-CE1 4.49Å; W208-F212 HydrophobicContact CZ3-CG 4.03Å; W208-F212 WeakPolarHBondContact O-CB 3.44Å; W208-F212 PolarHBondContact O-N 3.34Å
209I93.5Very high91.2Very high0 Ų05.7 Ų5.70%03%0.027CC..Hα-helixtrans-62-42.4179-68.8166.1000110.8L12 R14 H205 G206 Q211 F212 L213 M235L12-I209 HydrophobicContact CB-CG2 4.14Å; L12-I209 HydrophobicContact CD1-CG2 3.94Å; R14-I209 HydrophobicContact CB-CD1 4.05Å; H205-I209 WeakPolarHBondContact O-CB 3.45Å; H205-I209 WeakPolarHBondContact O-CG1 3.24Å; H205-I209 PolarHBondContact O-N 2.64Å; G206-I209 CarbonylContact O-C 3.55Å; G206-I209 PolarHBondContact O-N 3.29Å; I209-Q211 PolarHBondContact O-N 3.03Å; I209-F212 CarbonylContact O-C 3.55Å; I209-F212 WeakPolarHBondContact O-CB 3.16Å; I209-F212 PolarHBondContact O-N 2.85Å; I209-F212 VanDerWaalsContact O-N 3.16Å; I209-L213 HydrophobicContact CG2-CD1 3.73Å; I209-L213 HydrophobicContact CG2-CG 4.16Å; I209-L213 WeakPolarHBondContact O-CB 3.2Å; I209-L213 WeakPolarHBondContact O-CG 3.22Å; I209-L213 PolarHBondContact O-N 3.01Å; I209-M235 HydrophobicContact CB-SD 4.35Å; I209-M235 HydrophobicContact CG2-CG 4.5Å; I209-M235 HydrophobicContact CG2-SD 3.26Å; I209-M235 WeakPolarHBondContact CG2-SD 3.49Å
210R87.2Confident90.7Very high14 Ų145.7 Ų5.75%0.0533%0.027CC..Hα-helixtrans-61.3-44.7175.3-177.7177.865.2-174.72.8111.1G206 W208 F212 L213 R214 N232 E351 Y352G206-R210 WeakPolarHBondContact O-CB 3.2Å; G206-R210 PolarHBondContact O-N 3.45Å; W208-R210 VanDerWaalsContact C-N 3.32Å; W208-R210 PolarHBondContact O-N 2.67Å; R210-F212 VanDerWaalsContact C-N 3.28Å; R210-F212 PolarHBondContact O-N 3.47Å; R210-L213 PolarHBondContact O-N 2.87Å; R210-R214 WeakPolarHBondContact O-CB 3.36Å; R210-R214 VanDerWaalsContact O-CG 3.28Å; R210-R214 WeakPolarHBondContact O-CG 3.27Å; R210-R214 PolarHBondContact O-N 2.89Å; R210-N232 VanDerWaalsContact CD-O 3.32Å; R210-N232 WeakPolarHBondContact CD-O 3.25Å; R210-E351 IonicContact CZ-OE2 2.64Å; R210-E351 PolarHBondContact NH1-O 3.02Å; R210-Y352 PolarHBondContact NH1-O 3.14Å; R210-Y352 PolarHBondContact NH2-O 3.22Å
211Q86Confident90.1Very high6 Ų610 Ų103%0.0285%0.046CC..Hα-helixtrans-62.2-39.1174.5-175.157.725.400111.8M128 T132 G207 W208 I209 R214 L215M128-Q211 HydrophobicContact CE-CB 4.1Å; M128-Q211 HydrophobicContact CG-CG 4.23Å; M128-Q211 HydrophobicContact SD-CB 4.43Å; T132-Q211 HydrophobicContact CG2-CG 4.36Å; G207-Q211 WeakPolarHBondContact O-CB 3.39Å; G207-Q211 PolarHBondContact O-N 3.1Å; W208-Q211 PolarHBondContact O-N 3.04Å; I209-Q211 PolarHBondContact O-N 3.03Å; Q211-R214 PolarHBondContact O-N 3.32Å; Q211-L215 PolarHBondContact O-N 3.09Å
212F92.2Very high89.5Confident0 Ų013.2 Ų13.20%06%0.058CC..Hα-helixtrans-69.1-45.8178.4-169.7-135.7000112L10 L12 T132 F135 L136 I202 W208 I209 R210 R214 L215 L216L10-F212 HydrophobicContact CD1-CE1 3.81Å; L10-F212 HydrophobicContact CD1-CZ 3.93Å; L12-F212 HydrophobicContact CD1-CD1 3.92Å; L12-F212 HydrophobicContact CD1-CE1 4.44Å; L12-F212 HydrophobicContact CD2-CD1 3.83Å; L12-F212 HydrophobicContact CD2-CE1 3.78Å; T132-F212 HydrophobicContact CG2-CB 3.81Å; T132-F212 HydrophobicContact CG2-CD2 3.58Å; T132-F212 HydrophobicContact CG2-CG 4.13Å; F135-F212 HydrophobicContact CD1-CE2 4.47Å; F135-F212 HydrophobicContact CE1-CZ 4.29Å; L136-F212 HydrophobicContact CB-CE2 3.97Å; L136-F212 HydrophobicContact CD1-CE2 3.92Å; L136-F212 HydrophobicContact CD1-CZ 3.98Å; L136-F212 HydrophobicContact CD2-CE2 4.33Å; L136-F212 HydrophobicContact CG-CE2 4.27Å; I202-F212 HydrophobicContact CD1-CE1 3.9Å; I202-F212 HydrophobicContact CD1-CZ 4.47Å; W208-F212 HydrophobicContact CE3-CB 4.31Å; W208-F212 HydrophobicContact CH2-CB 3.96Å; W208-F212 AromaticContact CH2-CD1 3.54Å; W208-F212 HydrophobicContact CH2-CD1 3.54Å; W208-F212 HydrophobicContact CH2-CD2 4.14Å; W208-F212 AromaticContact CH2-CE1 3.98Å; W208-F212 HydrophobicContact CH2-CE1 3.98Å; W208-F212 AromaticContact CH2-CG 3.63Å; W208-F212 HydrophobicContact CH2-CG 3.63Å; W208-F212 HydrophobicContact CH2-CZ 4.46Å; W208-F212 HydrophobicContact CZ2-CB 4.22Å; W208-F212 HydrophobicContact CZ2-CD1 4.42Å; W208-F212 HydrophobicContact CZ2-CD2 4.26Å; W208-F212 HydrophobicContact CZ2-CG 4.07Å; W208-F212 HydrophobicContact CZ3-CB 4.01Å; W208-F212 AromaticContact CZ3-CD1 3.79Å; W208-F212 HydrophobicContact CZ3-CD1 3.79Å; W208-F212 HydrophobicContact CZ3-CE1 4.49Å; W208-F212 HydrophobicContact CZ3-CG 4.03Å; W208-F212 WeakPolarHBondContact O-CB 3.44Å; W208-F212 PolarHBondContact O-N 3.34Å; I209-F212 CarbonylContact O-C 3.55Å; I209-F212 WeakPolarHBondContact O-CB 3.16Å; I209-F212 PolarHBondContact O-N 2.85Å; I209-F212 VanDerWaalsContact O-N 3.16Å; R210-F212 VanDerWaalsContact C-N 3.28Å; R210-F212 PolarHBondContact O-N 3.47Å; F212-R214 VanDerWaalsContact C-N 3.28Å; F212-R214 PolarHBondContact O-N 3Å; F212-L215 HydrophobicContact CD2-CD2 4.45Å; F212-L215 WeakPolarHBondContact O-CB 3.26Å; F212-L215 PolarHBondContact O-N 3.38Å; F212-L215 VanDerWaalsContact O-N 3.12Å; F212-L216 HydrophobicContact CD1-CD1 4.29Å; F212-L216 HydrophobicContact CE1-CD1 4.12Å; F212-L216 HydrophobicContact CZ-CD1 4.24Å; F212-L216 WeakPolarHBondContact O-CG 3.41Å; F212-L216 PolarHBondContact O-N 3.28Å
213L90.6Very high88.9Confident3 Ų318.2 Ų18.22%0.0168%0.08CC..Hα-helixtrans-58.9-39.4173.1-74.8168.1000111.5L12 I209 R210 L216 A217 F226 V231 M235 C241 V243 F310L12-L213 HydrophobicContact CD1-CD2 3.72Å; L12-L213 HydrophobicContact CD1-CG 3.88Å; I209-L213 HydrophobicContact CG2-CD1 3.73Å; I209-L213 HydrophobicContact CG2-CG 4.16Å; I209-L213 WeakPolarHBondContact O-CB 3.2Å; I209-L213 WeakPolarHBondContact O-CG 3.22Å; I209-L213 PolarHBondContact O-N 3.01Å; R210-L213 PolarHBondContact O-N 2.87Å; L213-L216 CarbonylContact O-C 3.57Å; L213-L216 PolarHBondContact O-N 3.47Å; L213-A217 WeakPolarHBondContact O-CA 3.47Å; L213-A217 WeakPolarHBondContact O-CB 3.47Å; L213-A217 PolarHBondContact O-N 2.9Å; L213-F226 HydrophobicContact CD2-CE1 4.28Å; L213-V231 HydrophobicContact CB-CG2 4.48Å; L213-M235 HydrophobicContact CD1-SD 4.04Å; L213-C241 HydrophobicContact CD1-CB 4.38Å; L213-C241 HydrophobicContact CD2-CB 4.15Å; L213-V243 HydrophobicContact CD2-CG2 4.08Å; L213-F310 HydrophobicContact CD1-CE2 3.92Å; L213-F310 HydrophobicContact CD1-CZ 4.38Å
214R84.1Confident88.4Confident3 Ų322.1 Ų22.11%0.01110%0.098CC..Hα-helixtrans-63.2-42.8173.4-78.8168.9173157.66.5112.7R210 Q211 F212 L216 A217 F218 N232 L270 V272R210-R214 WeakPolarHBondContact O-CB 3.36Å; R210-R214 VanDerWaalsContact O-CG 3.28Å; R210-R214 WeakPolarHBondContact O-CG 3.27Å; R210-R214 PolarHBondContact O-N 2.89Å; Q211-R214 PolarHBondContact O-N 3.32Å; F212-R214 VanDerWaalsContact C-N 3.28Å; F212-R214 PolarHBondContact O-N 3Å; R214-L216 VanDerWaalsContact C-N 3.3Å; R214-L216 PolarHBondContact O-N 2.8Å; R214-A217 PolarHBondContact O-N 3.39Å; R214-F218 HydrophobicContact CB-CD2 4.01Å; R214-F218 HydrophobicContact CB-CE2 4.43Å; R214-F218 HydrophobicContact CG-CD2 4.05Å; R214-F218 HydrophobicContact CG-CE2 3.96Å; R214-F218 WeakPolarHBondContact O-CB 3.18Å; R214-F218 WeakPolarHBondContact O-CD2 3.27Å; R214-F218 PolarHBondContact O-N 3.19Å; R214-N232 PolarHBondContact NE-OD1 3.39Å; R214-N232 VanDerWaalsContact NE-OD1 3.13Å; R214-N232 PolarHBondContact NH2-OD1 3.29Å; R214-L270 HydrophobicContact CB-CD1 3.85Å; R214-L270 HydrophobicContact CG-CD1 3.71Å; R214-V272 VanDerWaalsContact NH2-CG2 3.27Å
215L85.7Confident88Confident7 Ų724.8 Ų24.84%0.03711%0.112CC..Iπ-helixtrans-57.2-48.5173.6-172.571.2000109.9T132 H133 L136 Q211 F212 A217 H219 S220 L301T132-L215 HydrophobicContact CG2-CD2 4.27Å; H133-L215 HydrophobicContact CB-CD2 4.34Å; L136-L215 HydrophobicContact CB-CD2 4.32Å; L136-L215 HydrophobicContact CD2-CD2 3.71Å; L136-L215 HydrophobicContact CD2-CG 4.42Å; Q211-L215 PolarHBondContact O-N 3.09Å; F212-L215 HydrophobicContact CD2-CD2 4.45Å; F212-L215 WeakPolarHBondContact O-CB 3.26Å; F212-L215 PolarHBondContact O-N 3.38Å; F212-L215 VanDerWaalsContact O-N 3.12Å; L215-A217 PolarHBondContact O-N 3.01Å; L215-H219 HydrophobicContact CD1-CB 3.88Å; L215-H219 WeakPolarHBondContact O-CA 3.29Å; L215-H219 VanDerWaalsContact O-CB 3.27Å; L215-H219 WeakPolarHBondContact O-CB 3.35Å; L215-H219 PolarHBondContact O-N 3.4Å; L215-S220 PolarHBondContact O-N 3.3Å; L215-L301 HydrophobicContact CD1-CD1 3.77Å; L215-L301 HydrophobicContact CD2-CD1 4.06Å; L215-L301 HydrophobicContact CG-CD1 3.65Å
216L90.7Very high87.6Confident0 Ų026 Ų260%012%0.118CC..Iπ-helixtrans-67.7-35.7178.9-60.5174.2000113L10 L136 F212 L213 R214 S220 F226 V243 V245 I303 T305L10-L216 HydrophobicContact CD1-CD1 3.9Å; L136-L216 HydrophobicContact CD1-CD2 4.44Å; L136-L216 HydrophobicContact CD2-CD2 4.08Å; F212-L216 HydrophobicContact CD1-CD1 4.29Å; F212-L216 HydrophobicContact CE1-CD1 4.12Å; F212-L216 HydrophobicContact CZ-CD1 4.24Å; F212-L216 WeakPolarHBondContact O-CG 3.41Å; F212-L216 PolarHBondContact O-N 3.28Å; L213-L216 CarbonylContact O-C 3.57Å; L213-L216 PolarHBondContact O-N 3.47Å; R214-L216 VanDerWaalsContact C-N 3.3Å; R214-L216 PolarHBondContact O-N 2.8Å; L216-S220 WeakPolarHBondContact CA-OG 3.07Å; L216-S220 VanDerWaalsContact O-CB 3.27Å; L216-S220 WeakPolarHBondContact O-CB 3.29Å; L216-S220 PolarHBondContact O-OG 3.28Å; L216-F226 HydrophobicContact CB-CE1 4.28Å; L216-F226 HydrophobicContact CB-CZ 3.94Å; L216-V243 HydrophobicContact CD1-CB 4.48Å; L216-V243 HydrophobicContact CD1-CG1 4.14Å; L216-V243 HydrophobicContact CD1-CG2 4.49Å; L216-V245 HydrophobicContact CD2-CG2 4.3Å; L216-I303 HydrophobicContact CD2-CD1 4.1Å; L216-T305 HydrophobicContact CB-CG2 4.06Å; L216-T305 HydrophobicContact CD2-CG2 3.81Å; L216-T305 PolarHBondContact O-OG1 2.78Å
217A86.5Confident87.1Confident5 Ų526.6 Ų26.64%0.04112%0.121CC..Iπ-helixtrans-89.5-17.6-173.100000114.4L213 R214 L215 K223 F226 V231L213-A217 WeakPolarHBondContact O-CA 3.47Å; L213-A217 WeakPolarHBondContact O-CB 3.47Å; L213-A217 PolarHBondContact O-N 2.9Å; R214-A217 PolarHBondContact O-N 3.39Å; L215-A217 PolarHBondContact O-N 3.01Å; A217-K223 WeakPolarHBondContact O-CD 3.21Å; A217-F226 HydrophobicContact CB-CB 3.87Å; A217-F226 HydrophobicContact CB-CD1 3.47Å; A217-F226 VanDerWaalsContact CB-CD1 3.47Å; A217-F226 HydrophobicContact CB-CD2 4.09Å; A217-F226 HydrophobicContact CB-CE1 3.95Å; A217-F226 HydrophobicContact CB-CG 3.53Å; A217-F226 HydrophobicContact CB-CZ 4.45Å; A217-V231 HydrophobicContact CB-CG2 3.86Å
218F82.1Confident86.2Confident67 Ų6734.8 Ų34.829%0.29416%0.157SC..Iπ-helixtrans-125.2-37.4-175.4-61.2-65.5000112.7R214 K223 V231 L270R214-F218 HydrophobicContact CB-CD2 4.01Å; R214-F218 HydrophobicContact CB-CE2 4.43Å; R214-F218 HydrophobicContact CG-CD2 4.05Å; R214-F218 HydrophobicContact CG-CE2 3.96Å; R214-F218 WeakPolarHBondContact O-CB 3.18Å; R214-F218 WeakPolarHBondContact O-CD2 3.27Å; R214-F218 PolarHBondContact O-N 3.19Å; F218-K223 PolarHBondContact O-NZ 3.09Å; F218-V231 HydrophobicContact CE2-CG1 3.65Å; F218-V231 HydrophobicContact CE2-CG2 4.1Å; F218-V231 HydrophobicContact CZ-CG1 3.45Å; F218-V231 VanDerWaalsContact CZ-CG1 3.45Å; F218-L270 HydrophobicContact CB-CD2 4.32Å; F218-L270 HydrophobicContact CD1-CD2 4.07Å; F218-L270 HydrophobicContact CD2-CD1 3.86Å; F218-L270 HydrophobicContact CD2-CD2 3.43Å; F218-L270 VanDerWaalsContact CD2-CD2 3.43Å; F218-L270 HydrophobicContact CD2-CG 4.19Å; F218-L270 HydrophobicContact CE1-CD2 4.18Å; F218-L270 HydrophobicContact CE2-CD1 4.19Å; F218-L270 HydrophobicContact CE2-CD2 3.56Å; F218-L270 HydrophobicContact CG-CD2 3.69Å; F218-L270 HydrophobicContact CZ-CD2 3.91Å
219H81.8Confident84.8Confident11 Ų1142.8 Ų42.85%0.05119%0.194CC..Iπ-helixtrans-91.9-17.1-175.6-67.8-105.9000114.1L215 K221 P269 A297 P299 S300 L301L215-H219 HydrophobicContact CD1-CB 3.88Å; L215-H219 WeakPolarHBondContact O-CA 3.29Å; L215-H219 VanDerWaalsContact O-CB 3.27Å; L215-H219 WeakPolarHBondContact O-CB 3.35Å; L215-H219 PolarHBondContact O-N 3.4Å; H219-K221 PolarHBondContact O-N 2.9Å; H219-P269 WeakPolarHBondContact NE2-CG 3.49Å; H219-A297 PolarHBondContact CE1-O 3.37Å; H219-P299 WeakPolarHBondContact CB-O 3.12Å; H219-P299 VanDerWaalsContact ND1-CD 3.32Å; H219-P299 WeakPolarHBondContact ND1-CD 3.39Å; H219-P299 WeakPolarHBondContact ND1-CG 3.36Å; H219-P299 PolarHBondContact ND1-O 3.48Å; H219-P299 VanDerWaalsContact ND1-O 3.08Å; H219-S300 CarbonylContact O-C 3.58Å; H219-S300 WeakPolarHBondContact O-CA 3.35Å; H219-L301 HydrophobicContact CB-CD1 4.32Å; H219-L301 PolarHBondContact O-N 3.2Å
220S86.6Confident83.5Confident1 Ų143.6 Ų43.61%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-62.2131.4170.8-52.90000110.3L215 L216 Y222 K223 I303 T305L215-S220 PolarHBondContact O-N 3.3Å; L216-S220 WeakPolarHBondContact CA-OG 3.07Å; L216-S220 VanDerWaalsContact O-CB 3.27Å; L216-S220 WeakPolarHBondContact O-CB 3.29Å; L216-S220 PolarHBondContact O-OG 3.28Å; S220-Y222 VanDerWaalsContact CB-O 3.23Å; S220-Y222 WeakPolarHBondContact CB-O 3.46Å; S220-Y222 PolarHBondContact O-N 2.85Å; S220-K223 PolarHBondContact O-NZ 2.89Å; S220-I303 WeakPolarHBondContact OG-CD1 3.44Å; S220-I303 WeakPolarHBondContact OG-CG1 3.17Å; S220-T305 WeakPolarHBondContact CB-OG1 3.33Å; S220-T305 WeakPolarHBondContact OG-CG2 3.4Å; S220-T305 PolarHBondContact OG-OG1 3.45Å
221K85.2Confident82.5Confident89 Ų8943 Ų4339%0.38720%0.197SC..EExtended strand (participates in β ladder)trans-54.6-35.2174.2-167.2177.1171.9-172.30110.7H219 L301 I303H219-K221 PolarHBondContact O-N 2.9Å; K221-L301 VanDerWaalsContact CB-O 3.3Å; K221-L301 WeakPolarHBondContact CB-O 3.17Å; K221-L301 PolarHBondContact N-O 3.43Å; K221-I303 PolarHBondContact N-O 2.91Å
222Y86.3Confident81.5Confident69 Ų6945.4 Ų45.427%0.27121%0.21SC..EExtended strand (participates in β ladder)trans-132139.3173.6-51.8-89.4000111V180 S220 I303 M304 T305V180-Y222 VanDerWaalsContact C-CE2 3.49Å; V180-Y222 WeakPolarHBondContact CA-OH 3Å; V180-Y222 HydrophobicContact CB-CD1 4.19Å; V180-Y222 HydrophobicContact CB-CD2 3.86Å; V180-Y222 HydrophobicContact CB-CE1 4.11Å; V180-Y222 HydrophobicContact CB-CE2 3.76Å; V180-Y222 HydrophobicContact CB-CG 4.03Å; V180-Y222 HydrophobicContact CG1-CD1 4.1Å; V180-Y222 HydrophobicContact CG1-CD2 3.01Å; V180-Y222 HydrophobicContact CG1-CE1 4.32Å; V180-Y222 HydrophobicContact CG1-CE2 3.29Å; V180-Y222 HydrophobicContact CG1-CG 3.43Å; V180-Y222 VanDerWaalsContact CG1-CG 3.43Å; V180-Y222 HydrophobicContact CG2-CD1 3.57Å; V180-Y222 HydrophobicContact CG2-CD2 4.09Å; V180-Y222 HydrophobicContact CG2-CE1 3.74Å; V180-Y222 HydrophobicContact CG2-CE2 4.23Å; V180-Y222 HydrophobicContact CG2-CG 3.72Å; V180-Y222 WeakPolarHBondContact O-CE2 3.28Å; V180-Y222 PolarHBondContact O-OH 2.74Å; S220-Y222 VanDerWaalsContact CB-O 3.23Å; S220-Y222 WeakPolarHBondContact CB-O 3.46Å; S220-Y222 PolarHBondContact O-N 2.85Å; Y222-I303 PolarHBondContact N-O 2.94Å; Y222-M304 CarbonylContact O-C 3.49Å; Y222-M304 WeakPolarHBondContact O-CA 3.47Å; Y222-T305 PolarHBondContact O-N 3Å; Y222-T305 PolarHBondContact O-OG1 2.86Å
223K87.3Confident80.3Confident104 Ų10447 Ų4745%0.45222%0.221SC..EExtended strand (participates in β ladder)trans-155.3132.6-168.740.1176.5170.9-82.60108.8A217 F218 S220 F226 T305A217-K223 WeakPolarHBondContact O-CD 3.21Å; F218-K223 PolarHBondContact O-NZ 3.09Å; S220-K223 PolarHBondContact O-NZ 2.89Å; K223-F226 HydrophobicContact CB-CD2 4.38Å; K223-F226 HydrophobicContact CB-CE2 4.49Å; K223-T305 CarbonylContact C-O 3.54Å; K223-T305 VanDerWaalsContact CA-O 3.25Å; K223-T305 WeakPolarHBondContact CA-O 3.42Å
224Q88.6Confident79.2Confident82 Ų8247.2 Ų47.238%0.38322%0.223SC..EExtended strand (participates in β ladder)trans-135.2145.3179.5-168.3-179.8-15.300110.4F226 T305 V306 C307Q224-F226 VanDerWaalsContact C-N 3.26Å; Q224-F226 WeakPolarHBondContact O-CD2 3.42Å; Q224-F226 PolarHBondContact O-N 2.83Å; Q224-F226 VanDerWaalsContact O-N 3.15Å; Q224-T305 PolarHBondContact N-O 3.26Å; Q224-V306 HydrophobicContact CB-CG2 4.28Å; Q224-C307 PolarHBondContact O-N 2.84Å
225N88.9Confident79.2Confident56 Ų5647.3 Ų47.330%0.29922%0.223SC..SBendtrans65.614.5166.5-153.447.4000117L167 C307 T334L167-N225 HydrophobicContact CD1-CB 3.91Å; L167-N225 WeakPolarHBondContact CD1-ND2 3.32Å; N225-C307 WeakPolarHBondContact CB-O 3.35Å; N225-C307 PolarHBondContact ND2-O 2.63Å; N225-T334 VanDerWaalsContact CG-OG1 3.22Å; N225-T334 WeakPolarHBondContact ND2-CG2 3.4Å; N225-T334 PolarHBondContact ND2-OG1 3.26Å; N225-T334 PolarHBondContact OD1-OG1 2.75Å
226F85.5Confident79.3Confident27 Ų2748.7 Ų48.712%0.11823%0.231CC..  trans-75.3127.5170-72-90.9000110.6L213 L216 A217 K223 Q224 K228 V243 T305 C307L213-F226 HydrophobicContact CD2-CE1 4.28Å; L216-F226 HydrophobicContact CB-CE1 4.28Å; L216-F226 HydrophobicContact CB-CZ 3.94Å; A217-F226 HydrophobicContact CB-CB 3.87Å; A217-F226 HydrophobicContact CB-CD1 3.47Å; A217-F226 VanDerWaalsContact CB-CD1 3.47Å; A217-F226 HydrophobicContact CB-CD2 4.09Å; A217-F226 HydrophobicContact CB-CE1 3.95Å; A217-F226 HydrophobicContact CB-CG 3.53Å; A217-F226 HydrophobicContact CB-CZ 4.45Å; K223-F226 HydrophobicContact CB-CD2 4.38Å; K223-F226 HydrophobicContact CB-CE2 4.49Å; Q224-F226 VanDerWaalsContact C-N 3.26Å; Q224-F226 WeakPolarHBondContact O-CD2 3.42Å; Q224-F226 PolarHBondContact O-N 2.83Å; Q224-F226 VanDerWaalsContact O-N 3.15Å; F226-K228 PolarHBondContact O-N 3.08Å; F226-K228 VanDerWaalsContact O-N 3.09Å; F226-V243 HydrophobicContact CE1-CG1 4.47Å; F226-V243 HydrophobicContact CE1-CG2 4.17Å; F226-V243 HydrophobicContact CZ-CG1 3.78Å; F226-V243 HydrophobicContact CZ-CG2 4.28Å; F226-T305 WeakPolarHBondContact CE2-OG1 3.39Å; F226-C307 HydrophobicContact CD1-CB 3.72Å; F226-C307 HydrophobicContact CD2-CB 4Å; F226-C307 HydrophobicContact CE1-CB 3.81Å; F226-C307 HydrophobicContact CE2-CB 4.07Å; F226-C307 HydrophobicContact CG-CB 3.83Å; F226-C307 HydrophobicContact CZ-CB 3.99Å
227P79.7Confident79.4Confident12 Ų1249.7 Ų49.78%0.07824%0.236CC..  trans-73.3105.6-179.728.2-33000110.9Q229 C230 V231 F310 C338P227-Q229 PolarHBondContact O-N 2.71Å; P227-Q229 VanDerWaalsContact O-N 3.12Å; P227-C230 HydrophobicContact CB-CB 4.47Å; P227-C230 HydrophobicContact CG-CB 4.45Å; P227-C230 PolarHBondContact O-N 3.02Å; P227-C230 VanDerWaalsContact O-N 3.12Å; P227-V231 WeakPolarHBondContact O-CB 3.32Å; P227-V231 PolarHBondContact O-N 2.98Å; P227-F310 HydrophobicContact CG-CB 3.87Å; P227-F310 HydrophobicContact CG-CD1 3.59Å; P227-F310 HydrophobicContact CG-CD2 3.64Å; P227-F310 HydrophobicContact CG-CE1 4.06Å; P227-F310 HydrophobicContact CG-CE2 4.08Å; P227-F310 HydrophobicContact CG-CG 3.38Å; P227-F310 HydrophobicContact CG-CZ 4.3Å; P227-C338 HydrophobicContact CB-CB 4.34Å; P227-C338 WeakPolarHBondContact CB-SG 3.41Å; P227-C338 WeakPolarHBondContact CG-SG 3.37Å
228K69.9Low79.8Confident175 Ų17549.8 Ų49.876%0.76124%0.237SC*.THydrogen-bonded Turntrans-55.5-33.1-177.7-64.9-176.9-179.9179.50113.6F226F226-K228 PolarHBondContact O-N 3.08Å; F226-K228 VanDerWaalsContact O-N 3.09Å
229Q63.6Low80.4Confident167 Ų16746.6 Ų46.678%0.7822%0.223SC*.THydrogen-bonded Turntrans-71.6-36.9-177.9-40.5-72.98.800111.8P227P227-Q229 PolarHBondContact O-N 2.71Å; P227-Q229 VanDerWaalsContact O-N 3.12Å
230C65.3Low81Confident18 Ų1846.1 Ų46.112%0.12222%0.22CC..THydrogen-bonded Turntrans-114.4-6.7-166.3-60.80000114.2P227 N232 S233 F310 C338P227-C230 HydrophobicContact CB-CB 4.47Å; P227-C230 HydrophobicContact CG-CB 4.45Å; P227-C230 PolarHBondContact O-N 3.02Å; P227-C230 VanDerWaalsContact O-N 3.12Å; C230-N232 PolarHBondContact O-N 3.31Å; C230-S233 WeakPolarHBondContact O-CA 3.48Å; C230-S233 VanDerWaalsContact O-CB 3.24Å; C230-S233 WeakPolarHBondContact O-CB 2.84Å; C230-S233 PolarHBondContact O-N 3.22Å; C230-S233 PolarHBondContact O-OG 3.07Å; C230-F310 HydrophobicContact CB-CD1 4.41Å; C230-F310 HydrophobicContact CB-CE1 3.88Å; C230-F310 WeakPolarHBondContact O-CE1 3.04Å; C230-F310 VanDerWaalsContact O-CZ 3.27Å; C230-F310 WeakPolarHBondContact O-CZ 3.27Å; C230-C338 HydrophobicContact CB-CB 4.22Å; C230-C338 WeakPolarHBondContact SG-CB 3.39Å
231V66Low81.3Confident1 Ų146 Ų461%0.00622%0.22CC..THydrogen-bonded Turntrans-60.1-13.6172.870.90000113.4L213 A217 F218 P227 F310L213-V231 HydrophobicContact CB-CG2 4.48Å; A217-V231 HydrophobicContact CB-CG2 3.86Å; F218-V231 HydrophobicContact CE2-CG1 3.65Å; F218-V231 HydrophobicContact CE2-CG2 4.1Å; F218-V231 HydrophobicContact CZ-CG1 3.45Å; F218-V231 VanDerWaalsContact CZ-CG1 3.45Å; P227-V231 WeakPolarHBondContact O-CB 3.32Å; P227-V231 PolarHBondContact O-N 2.98Å; V231-F310 HydrophobicContact CB-CE2 4.48Å; V231-F310 HydrophobicContact CG2-CE2 4.48Å
232N64.2Low81.9Confident57 Ų5741.8 Ų41.831%0.30520%0.202SC..THydrogen-bonded Turntrans-94.6-14.4172.6-66.7-44.7000113.9R210 R214 C230R210-N232 VanDerWaalsContact CD-O 3.32Å; R210-N232 WeakPolarHBondContact CD-O 3.25Å; R214-N232 PolarHBondContact NE-OD1 3.39Å; R214-N232 VanDerWaalsContact NE-OD1 3.13Å; R214-N232 PolarHBondContact NH2-OD1 3.29Å; C230-N232 PolarHBondContact O-N 3.31Å
233S67.2Low82.4Confident33 Ų3338.5 Ų38.523%0.23119%0.189CC..SBendtrans-71148.9175.8-55.90000110C230C230-S233 WeakPolarHBondContact O-CA 3.48Å; C230-S233 VanDerWaalsContact O-CB 3.24Å; C230-S233 WeakPolarHBondContact O-CB 2.84Å; C230-S233 PolarHBondContact O-N 3.22Å; C230-S233 PolarHBondContact O-OG 3.07Å
234V68Low82.8Confident8 Ų833.6 Ų33.65%0.04817%0.167CC..PPolyproline II helixtrans-76.1142.7170.8-178.60000107.8D347 E351V234-D347 HydrophobicContact CB-CB 4.44Å; V234-D347 HydrophobicContact CG2-CB 3.76Å; V234-E351 WeakPolarHBondContact CG1-OE2 3.49Å; V234-E351 HydrophobicContact CG2-CB 3.7Å; V234-E351 VanDerWaalsContact CG2-OE2 3.32Å; V234-E351 WeakPolarHBondContact CG2-OE2 3.41Å
235M83.6Confident83.3Confident4 Ų429.7 Ų29.72%0.0215%0.149CC..PPolyproline II helixtrans-72.7145.8175-73.3177.258.500110.4R14 I209 L213 G239 C241 N311R14-M235 HydrophobicContact CB-CB 4.35Å; R14-M235 WeakPolarHBondContact CD-O 3.46Å; R14-M235 PolarHBondContact NH1-O 2.62Å; I209-M235 HydrophobicContact CB-SD 4.35Å; I209-M235 HydrophobicContact CG2-CG 4.5Å; I209-M235 HydrophobicContact CG2-SD 3.26Å; I209-M235 WeakPolarHBondContact CG2-SD 3.49Å; L213-M235 HydrophobicContact CD1-SD 4.04Å; M235-G239 WeakPolarHBondContact CE-O 3.01Å; M235-C241 HydrophobicContact CE-CB 4.1Å; M235-C241 HydrophobicContact SD-CB 4.1Å; M235-C241 PolarHBondContact SD-SG 3.27Å; M235-N311 WeakPolarHBondContact CA-OD1 3.46Å; M235-N311 WeakPolarHBondContact CB-OD1 3.37Å; M235-N311 HydrophobicContact CG-CB 4.36Å
236N88.9Confident83.6Confident37 Ų3727 Ų2720%0.19814%0.135CC..PPolyproline II helixtrans-58.3154.7171.1-62.7-54.2000110.8C238 G239 N311 T313 E341N236-C238 PolarHBondContact O-N 3.1Å; N236-G239 WeakPolarHBondContact O-CA 3.31Å; N236-G239 PolarHBondContact O-N 2.83Å; N236-N311 PolarHBondContact N-OD1 2.93Å; N236-N311 PolarHBondContact ND2-ND2 2.86Å; N236-N311 VanDerWaalsContact ND2-ND2 3.19Å; N236-T313 HydrophobicContact CB-CG2 3.93Å; N236-T313 WeakPolarHBondContact ND2-CG2 3.48Å; N236-E341 PolarHBondContact ND2-OE1 3.18Å
237N93.1Very high84Confident20 Ų2025.7 Ų25.711%0.10713%0.129CC..THydrogen-bonded Turntrans-57.4132.7167.8-68.8117.8000110.2R14 H15 G16 E17 G239R14-N237 VanDerWaalsContact CZ-ND2 3.32Å; R14-N237 VanDerWaalsContact NH1-N 3.14Å; R14-N237 PolarHBondContact NH1-ND2 3.03Å; H15-N237 WeakPolarHBondContact O-CA 3.43Å; H15-N237 WeakPolarHBondContact O-CB 3Å; H15-N237 PolarHBondContact O-ND2 2.71Å; G16-N237 PolarHBondContact O-ND2 2.89Å; E17-N237 HydrophobicContact CB-CB 4.39Å; N237-G239 PolarHBondContact O-N 3.36Å; N237-G239 VanDerWaalsContact O-N 3.1Å
238C95Very high84.6Confident8 Ų825.6 Ų25.65%0.05413%0.128CC..THydrogen-bonded Turntrans53.420.3-168.4-65.10000115.4L13 R14 H15 G16 Q41 I45 N236L13-C238 HydrophobicContact CD1-CB 4.32Å; R14-C238 VanDerWaalsContact O-CA 3.25Å; R14-C238 WeakPolarHBondContact O-CA 2.99Å; R14-C238 PolarHBondContact O-N 3.22Å; H15-C238 PolarHBondContact O-N 3.43Å; G16-C238 VanDerWaalsContact CA-SG 3.59Å; Q41-C238 HydrophobicContact CB-CB 4.05Å; I45-C238 HydrophobicContact CG2-CB 4.47Å; N236-C238 PolarHBondContact O-N 3.1Å
239G93.5Very high85.7Confident0 Ų017.8 Ų17.80%09%0.094CC..  trans-68147.716600000110.9R14 M235 N236 N237R14-G239 PolarHBondContact N-O 3.02Å; M235-G239 WeakPolarHBondContact CE-O 3.01Å; N236-G239 WeakPolarHBondContact O-CA 3.31Å; N236-G239 PolarHBondContact O-N 2.83Å; N237-G239 PolarHBondContact O-N 3.36Å; N237-G239 VanDerWaalsContact O-N 3.1Å
240I94.2Very high87Confident0 Ų013.1 Ų13.10%08%0.079CC..EExtended strand (participates in β ladder)trans-116.7132.6-177.9-68.8173.7000110.5T11 L12 L13 I45 I49 I162 Q242 N311 A312 F317T11-I240 HydrophobicContact CG2-CG2 3.97Å; L12-I240 CarbonylContact O-C 3.55Å; L12-I240 WeakPolarHBondContact O-CA 3.05Å; L13-I240 HydrophobicContact CD1-CG1 3.89Å; I45-I240 HydrophobicContact CD1-CD1 3.74Å; I45-I240 HydrophobicContact CG1-CD1 3.62Å; I45-I240 HydrophobicContact CG1-CG1 4.36Å; I49-I240 HydrophobicContact CD1-CD1 3.71Å; I49-I240 HydrophobicContact CD1-CG1 4.38Å; I162-I240 HydrophobicContact CD1-CD1 3.94Å; I240-Q242 HydrophobicContact CG2-CG 3.74Å; I240-N311 CarbonylContact O-C 3.47Å; I240-N311 WeakPolarHBondContact O-CA 3.33Å; I240-N311 PolarHBondContact O-N 2.83Å; I240-A312 PolarHBondContact N-O 3.17Å; I240-A312 PolarHBondContact O-N 3.29Å; I240-F317 HydrophobicContact CB-CE2 4.42Å; I240-F317 HydrophobicContact CD1-CE2 4.21Å
241C94.3Very high88.1Confident0 Ų014 Ų140%09%0.086CC..EExtended strand (participates in β ladder)trans-114.9135.3160.9-76.70000109.1T11 L12 L213 M235 Q309 N311T11-C241 CarbonylContact C-O 3.59Å; L12-C241 HydrophobicContact CB-CB 4.16Å; L12-C241 HydrophobicContact CD1-CB 4.31Å; L12-C241 HydrophobicContact CG-CB 4.47Å; L12-C241 PolarHBondContact N-O 3.44Å; L12-C241 PolarHBondContact O-N 3.29Å; L213-C241 HydrophobicContact CD1-CB 4.38Å; L213-C241 HydrophobicContact CD2-CB 4.15Å; M235-C241 HydrophobicContact CE-CB 4.1Å; M235-C241 HydrophobicContact SD-CB 4.1Å; M235-C241 PolarHBondContact SD-SG 3.27Å; C241-Q309 CarbonylContact C-O 3.53Å; C241-Q309 VanDerWaalsContact CA-O 3.32Å; C241-Q309 WeakPolarHBondContact CA-O 3.26Å; C241-N311 PolarHBondContact SG-N 3.38Å
242Q96.3Very high89.3Confident0 Ų014 Ų140%09%0.086CC..EExtended strand (participates in β ladder)trans-119.7127173.7-63.1-171.1-63.800111L10 T11 P160 I161 I240 Y308 Q309L10-Q242 CarbonylContact O-C 3.59Å; L10-Q242 VanDerWaalsContact O-CA 3.24Å; L10-Q242 WeakPolarHBondContact O-CA 3.01Å; T11-Q242 HydrophobicContact CG2-CG 4.36Å; T11-Q242 PolarHBondContact OG1-NE2 3.08Å; P160-Q242 PolarHBondContact O-NE2 3.18Å; I161-Q242 HydrophobicContact CD1-CB 4Å; I240-Q242 HydrophobicContact CG2-CG 3.74Å; Q242-Y308 PolarHBondContact O-N 3.35Å; Q242-Q309 HydrophobicContact CB-CB 4.06Å; Q242-Q309 HydrophobicContact CB-CG 4.33Å; Q242-Q309 HydrophobicContact CG-CB 4.32Å; Q242-Q309 PolarHBondContact N-O 3.37Å; Q242-Q309 PolarHBondContact O-N 3.42Å
243V96.8Very high90.6Very high0 Ų015.1 Ų15.10%09%0.089CC..EExtended strand (participates in β ladder)trans-133.5127.7-174.1-176.30000109.7L10 L213 L216 F226 V245 V306L10-V243 HydrophobicContact CB-CB 4.4Å; L10-V243 PolarHBondContact N-O 3.43Å; L10-V243 PolarHBondContact O-N 2.88Å; L213-V243 HydrophobicContact CD2-CG2 4.08Å; L216-V243 HydrophobicContact CD1-CB 4.48Å; L216-V243 HydrophobicContact CD1-CG1 4.14Å; L216-V243 HydrophobicContact CD1-CG2 4.49Å; F226-V243 HydrophobicContact CE1-CG1 4.47Å; F226-V243 HydrophobicContact CE1-CG2 4.17Å; F226-V243 HydrophobicContact CZ-CG1 3.78Å; F226-V243 HydrophobicContact CZ-CG2 4.28Å; V243-V245 HydrophobicContact CG1-CG2 4.15Å; V243-V306 CarbonylContact C-O 3.56Å; V243-V306 VanDerWaalsContact CA-O 3.27Å; V243-V306 WeakPolarHBondContact CA-O 3.35Å; V243-V306 WeakPolarHBondContact CG1-O 3.47Å
244G97.4Very high91.7Very high0 Ų016.4 Ų16.40%010%0.102CC..EExtended strand (participates in β ladder)trans-82.7138164.600000110.3T305 V306G244-T305 CarbonylContact O-C 3.6Å; G244-T305 VanDerWaalsContact O-CA 3.29Å; G244-T305 WeakPolarHBondContact O-CA 3.42Å; G244-V306 PolarHBondContact N-O 3.01Å; G244-V306 PolarHBondContact O-N 3.48Å
245V97.2Very high92.6Very high0 Ų017.3 Ų17.30%010%0.104CC..EExtended strand (participates in β ladder)trans-129.7134.8178.4-175.20000108.8Y7 F8 L10 L216 V243 I303 M304 T305Y7-V245 CarbonylContact C-O 3.52Å; Y7-V245 WeakPolarHBondContact CA-O 3.36Å; Y7-V245 WeakPolarHBondContact CB-O 3.49Å; F8-V245 HydrophobicContact CD1-CB 4.05Å; F8-V245 HydrophobicContact CD1-CG1 4.44Å; F8-V245 HydrophobicContact CE1-CB 3.51Å; F8-V245 HydrophobicContact CE1-CG1 3.54Å; F8-V245 HydrophobicContact CE1-CG2 4.45Å; F8-V245 HydrophobicContact CE2-CB 4.15Å; F8-V245 HydrophobicContact CE2-CG2 4.29Å; F8-V245 HydrophobicContact CZ-CB 3.59Å; F8-V245 HydrophobicContact CZ-CG1 3.72Å; F8-V245 HydrophobicContact CZ-CG2 4.03Å; F8-V245 PolarHBondContact N-O 3Å; F8-V245 PolarHBondContact O-N 2.91Å; L10-V245 HydrophobicContact CD1-CG2 3.64Å; L10-V245 HydrophobicContact CG-CG2 4.2Å; L216-V245 HydrophobicContact CD2-CG2 4.3Å; V243-V245 HydrophobicContact CG1-CG2 4.15Å; V245-I303 HydrophobicContact CG1-CD1 4.39Å; V245-M304 CarbonylContact C-O 3.54Å; V245-M304 WeakPolarHBondContact CA-O 3.33Å; V245-T305 HydrophobicContact CG1-CG2 4.38Å; V245-T305 HydrophobicContact CG2-CG2 4.28Å
246A95.7Very high92.6Very high0 Ų021.5 Ų21.50%012%0.12CC..EExtended strand (participates in β ladder)trans-136.2149.7174.600000111.5I5 L6 M170 I174 F181 I303 M304I5-A246 HydrophobicContact CG2-CB 4.08Å; L6-A246 CarbonylContact O-C 3.6Å; L6-A246 WeakPolarHBondContact O-CA 3.26Å; M170-A246 HydrophobicContact CE-CB 3.33Å; M170-A246 HydrophobicContact CG-CB 4.42Å; I174-A246 HydrophobicContact CD1-CB 3.63Å; I174-A246 HydrophobicContact CG1-CB 3.96Å; F181-A246 HydrophobicContact CZ-CB 4.15Å; A246-I303 CarbonylContact O-C 3.55Å; A246-I303 VanDerWaalsContact O-CA 3.28Å; A246-I303 WeakPolarHBondContact O-CA 3.41Å; A246-M304 HydrophobicContact CB-CB 4.35Å; A246-M304 PolarHBondContact N-O 3.36Å; A246-M304 PolarHBondContact O-N 3.12Å
247F94.2Very high92.5Very high0 Ų027.5 Ų27.50%014%0.144CC..EExtended strand (participates in β ladder)trans-154146.417859.6-92.5000111.1I5 L6 F8 C140 I144 L252 I303I5-F247 WeakPolarHBondContact CA-O 3.32Å; L6-F247 HydrophobicContact CB-CE1 4.25Å; L6-F247 HydrophobicContact CB-CE2 3.95Å; L6-F247 HydrophobicContact CB-CZ 3.77Å; L6-F247 HydrophobicContact CD2-CZ 4.28Å; L6-F247 PolarHBondContact N-O 3.19Å; L6-F247 PolarHBondContact O-N 3.44Å; F8-F247 HydrophobicContact CD1-CE1 4.12Å; F8-F247 HydrophobicContact CE1-CD1 4.17Å; F8-F247 AromaticContact CE1-CE1 3.75Å; F8-F247 HydrophobicContact CE1-CE1 3.75Å; C140-F247 HydrophobicContact CB-CD1 4.39Å; C140-F247 HydrophobicContact CB-CE1 3.74Å; C140-F247 HydrophobicContact CB-CE2 4.47Å; C140-F247 HydrophobicContact CB-CZ 3.78Å; C140-F247 VanDerWaalsContact SG-CE1 3.55Å; I144-F247 HydrophobicContact CD1-CE2 3.7Å; I144-F247 HydrophobicContact CD1-CZ 4.23Å; I144-F247 HydrophobicContact CG1-CE2 3.71Å; I144-F247 HydrophobicContact CG1-CZ 3.96Å; F247-L252 HydrophobicContact CD1-CD2 4.46Å; F247-L252 HydrophobicContact CD2-CB 3.94Å; F247-L252 HydrophobicContact CD2-CD2 3.57Å; F247-L252 HydrophobicContact CD2-CG 4.31Å; F247-L252 HydrophobicContact CE2-CD2 3.66Å; F247-L252 HydrophobicContact CG-CD2 4.01Å; F247-L252 HydrophobicContact CZ-CD2 4.14Å; F247-I303 HydrophobicContact CB-CB 4.46Å; F247-I303 HydrophobicContact CB-CG2 3.91Å
248D92.2Very high91.7Very high10 Ų1028.7 Ų28.75%0.05315%0.153CC..EExtended strand (participates in β ladder)trans-76.7130.1165.6168.976.7000109.4E4 F181 C250 S251 L252E4-D248 WeakPolarHBondContact O-CA 3.12Å; F181-D248 HydrophobicContact CB-CB 4.21Å; F181-D248 HydrophobicContact CD1-CB 3.87Å; F181-D248 HydrophobicContact CG-CB 4.2Å; D248-C250 PolarHBondContact O-N 3.22Å; D248-C250 PolarHBondContact OD2-N 3.29Å; D248-S251 PolarHBondContact O-N 3.31Å; D248-S251 VanDerWaalsContact OD2-CB 3.25Å; D248-S251 WeakPolarHBondContact OD2-CB 3.25Å; D248-S251 PolarHBondContact OD2-N 3.2Å; D248-S251 PolarHBondContact OD2-OG 2.78Å; D248-L252 PolarHBondContact O-N 3.18Å
249I92.4Very high90.4Very high10 Ų1030.5 Ų30.55%0.05117%0.165CC..Hα-helixtrans-58.7-50-174.3-59.7176.9000110.6E4 L6 I144 M148 S251 L252 E253E4-I249 HydrophobicContact CB-CD1 3.94Å; E4-I249 HydrophobicContact CB-CG1 4.36Å; E4-I249 PolarHBondContact O-N 3.03Å; L6-I249 HydrophobicContact CD1-CD1 3.57Å; L6-I249 HydrophobicContact CD1-CG1 3.83Å; I144-I249 HydrophobicContact CD1-CG2 4.09Å; I144-I249 HydrophobicContact CG1-CG1 4.38Å; I144-I249 HydrophobicContact CG1-CG2 4.43Å; I144-I249 HydrophobicContact CG2-CG2 4.3Å; M148-I249 HydrophobicContact CE-CD1 3.5Å; I249-S251 VanDerWaalsContact C-N 3.34Å; I249-S251 PolarHBondContact O-N 3.25Å; I249-L252 PolarHBondContact O-N 2.89Å; I249-E253 HydrophobicContact CG2-CG 4.4Å; I249-E253 WeakPolarHBondContact O-CG 3.33Å; I249-E253 PolarHBondContact O-N 3.22Å
250C91Very high89Confident70 Ų7033.8 Ų33.847%0.47318%0.181SC..Hα-helixtrans-61.9-43-177.4-71.80000111.6D248 E253 A254D248-C250 PolarHBondContact O-N 3.22Å; D248-C250 PolarHBondContact OD2-N 3.29Å; C250-E253 PolarHBondContact O-N 2.79Å; C250-A254 VanDerWaalsContact O-CB 3.3Å; C250-A254 WeakPolarHBondContact O-CB 3.37Å; C250-A254 PolarHBondContact O-N 2.89Å
251S89.5Confident86.9Confident36 Ų3643 Ų4325%0.25222%0.217SC..Hα-helixtrans-63.3-42.3177.8-60.40000111.8D248 I249 Y255D248-S251 PolarHBondContact O-N 3.31Å; D248-S251 VanDerWaalsContact OD2-CB 3.25Å; D248-S251 WeakPolarHBondContact OD2-CB 3.25Å; D248-S251 PolarHBondContact OD2-N 3.2Å; D248-S251 PolarHBondContact OD2-OG 2.78Å; I249-S251 VanDerWaalsContact C-N 3.34Å; I249-S251 PolarHBondContact O-N 3.25Å; S251-Y255 VanDerWaalsContact O-CB 3.26Å; S251-Y255 WeakPolarHBondContact O-CB 3.41Å; S251-Y255 PolarHBondContact O-N 3.28Å
252L90.9Very high84.9Confident1 Ų149.7 Ų49.71%0.00525%0.248CC..Hα-helixtrans-67.3-42.2177.2-170.372.2000111.6L137 C140 I144 F247 D248 I249 Y255 R256 P302 I303L137-L252 HydrophobicContact CD2-CD1 3.81Å; C140-L252 HydrophobicContact CB-CD2 3.39Å; I144-L252 HydrophobicContact CD1-CD2 4.26Å; F247-L252 HydrophobicContact CD1-CD2 4.46Å; F247-L252 HydrophobicContact CD2-CB 3.94Å; F247-L252 HydrophobicContact CD2-CD2 3.57Å; F247-L252 HydrophobicContact CD2-CG 4.31Å; F247-L252 HydrophobicContact CE2-CD2 3.66Å; F247-L252 HydrophobicContact CG-CD2 4.01Å; F247-L252 HydrophobicContact CZ-CD2 4.14Å; D248-L252 PolarHBondContact O-N 3.18Å; I249-L252 PolarHBondContact O-N 2.89Å; L252-Y255 WeakPolarHBondContact O-CB 3.17Å; L252-Y255 PolarHBondContact O-N 3.19Å; L252-R256 WeakPolarHBondContact O-CG 3.47Å; L252-R256 PolarHBondContact O-N 3.21Å; L252-P302 HydrophobicContact CD1-CG 4.22Å; L252-I303 HydrophobicContact CD1-CG2 4.3Å
253E91.4Very high83.1Confident81 Ų8152.1 Ų52.138%0.37926%0.257SS..Hα-helixtrans-63.9-43.9176-74-175.7177.400112.5I249 C250 Y255 R256 K257I249-E253 HydrophobicContact CG2-CG 4.4Å; I249-E253 WeakPolarHBondContact O-CG 3.33Å; I249-E253 PolarHBondContact O-N 3.22Å; C250-E253 PolarHBondContact O-N 2.79Å; E253-Y255 VanDerWaalsContact C-N 3.31Å; E253-Y255 PolarHBondContact O-N 2.92Å; E253-R256 PolarHBondContact O-N 3.24Å; E253-K257 WeakPolarHBondContact O-CG 3.11Å; E253-K257 PolarHBondContact O-N 2.78Å
254A89.3Confident80.8Confident60 Ų6054.2 Ų54.250%0.49628%0.279SS..Hα-helixtrans-60.5-43.9174.500000110.8C250 R256 K257 C258C250-A254 VanDerWaalsContact O-CB 3.3Å; C250-A254 WeakPolarHBondContact O-CB 3.37Å; C250-A254 PolarHBondContact O-N 2.89Å; A254-R256 VanDerWaalsContact C-N 3.34Å; A254-R256 PolarHBondContact O-N 3.49Å; A254-K257 PolarHBondContact O-N 3.43Å; A254-C258 PolarHBondContact O-N 3.47Å
255Y87Confident78.2Confident26 Ų2658 Ų5810%0.10230%0.302CS..Hα-helixtrans-60.7-40175.1176.4-87000112.5H133 L137 S251 L252 E253 C258 R263 P299 L301 P302H133-Y255 AromaticContact CE1-CE1 3.83Å; H133-Y255 AromaticContact NE2-CE1 3.56Å; H133-Y255 AromaticContact NE2-CZ 3.77Å; H133-Y255 PolarHBondContact NE2-OH 3.04Å; H133-Y255 VanDerWaalsContact NE2-OH 3.1Å; L137-Y255 HydrophobicContact CD1-CE1 4.29Å; L137-Y255 HydrophobicContact CD2-CD1 4.2Å; L137-Y255 HydrophobicContact CD2-CE1 4.16Å; S251-Y255 VanDerWaalsContact O-CB 3.26Å; S251-Y255 WeakPolarHBondContact O-CB 3.41Å; S251-Y255 PolarHBondContact O-N 3.28Å; L252-Y255 WeakPolarHBondContact O-CB 3.17Å; L252-Y255 PolarHBondContact O-N 3.19Å; E253-Y255 VanDerWaalsContact C-N 3.31Å; E253-Y255 PolarHBondContact O-N 2.92Å; Y255-C258 PolarHBondContact O-N 2.83Å; Y255-R263 PolarHBondContact O-NH2 2.73Å; Y255-R263 PolarHBondContact OH-NH1 2.96Å; Y255-P299 HydrophobicContact CE2-CB 4.45Å; Y255-P299 WeakPolarHBondContact OH-CB 3.38Å; Y255-L301 HydrophobicContact CD1-CD2 4.46Å; Y255-L301 HydrophobicContact CE1-CD2 3.72Å; Y255-P302 HydrophobicContact CD2-CG 4.23Å; Y255-P302 HydrophobicContact CG-CG 3.92Å
256R85.1Confident75.6Confident93 Ų9362.5 Ų62.535%0.35133%0.334SS..Hα-helixtrans-65.1-37.3175.5-73.6-176.671.3128.611.2112.5L137 D138 S141 L252 E253 A254L137-R256 HydrophobicContact CD1-CG 4.11Å; L137-R256 HydrophobicContact CD2-CG 4.24Å; L137-R256 PolarHBondContact O-NH1 2.83Å; D138-R256 IonicContact OD1-CZ 3.61Å; D138-R256 IonicContact OD1-NH1 3.4Å; D138-R256 PolarHBondContact OD1-NH1 3.39Å; D138-R256 IonicContact OD1-NH2 3Å; D138-R256 PolarHBondContact OD1-NH2 2.95Å; S141-R256 PolarHBondContact OG-NH1 2.84Å; L252-R256 WeakPolarHBondContact O-CG 3.47Å; L252-R256 PolarHBondContact O-N 3.21Å; E253-R256 PolarHBondContact O-N 3.24Å; A254-R256 VanDerWaalsContact C-N 3.34Å; A254-R256 PolarHBondContact O-N 3.49Å
257K85.5Confident72.7Confident163 Ų16368.5 Ų68.571%0.70936%0.363SS*.Hα-helixtrans-76.2-26.4179.9-69.4169.6-174.8167.20113.2E253 A254 P259E253-K257 WeakPolarHBondContact O-CG 3.11Å; E253-K257 PolarHBondContact O-N 2.78Å; A254-K257 PolarHBondContact O-N 3.43Å; K257-P259 WeakPolarHBondContact O-CD 3.46Å
258C77.8Confident70Confident44 Ų4469.4 Ų69.430%0.29737%0.37SS..SBendtrans-61.8121.9178.7178.60000111.1A254 Y255 Q260 R263A254-C258 PolarHBondContact O-N 3.47Å; Y255-C258 PolarHBondContact O-N 2.83Å; C258-Q260 PolarHBondContact O-N 3.37Å; C258-R263 PolarHBondContact O-NE 3.41Å; C258-R263 PolarHBondContact O-NH2 3.44Å
259P67Low67.4Low47 Ų4770.7 Ų70.731%0.30538%0.378SS..  trans-54138.7176.4-24.633.5000112.2K257 Y261 E262K257-P259 WeakPolarHBondContact O-CD 3.46Å; P259-Y261 HydrophobicContact CB-CD2 3.73Å; P259-Y261 HydrophobicContact CB-CE2 3.62Å; P259-Y261 PolarHBondContact O-N 3.34Å; P259-E262 HydrophobicContact CB-CG 4.17Å; P259-E262 WeakPolarHBondContact CD-OE2 2.94Å; P259-E262 HydrophobicContact CG-CG 4.4Å; P259-E262 PolarHBondContact O-N 3.16Å; P259-E262 VanDerWaalsContact O-N 3.1Å
260Q63.2Low64.7Low69 Ų6970.9 Ų70.932%0.32238%0.379SS..G310 helixtrans-58.1-33-175.2-79.7172.4-14.900113.7C258 H295 L296C258-Q260 PolarHBondContact O-N 3.37Å; Q260-H295 VanDerWaalsContact CB-CD2 3.46Å; Q260-H295 WeakPolarHBondContact CB-CD2 3.26Å; Q260-H295 PolarHBondContact OE1-NE2 3.31Å; Q260-L296 HydrophobicContact CG-CD2 4.49Å
261Y51.8Low62.1Low192 Ų19271.3 Ų71.375%0.75338%0.381SS*.G310 helixtrans-75.5-22.5-179.4-0.1-86.4000113.4P259 R263P259-Y261 HydrophobicContact CB-CD2 3.73Å; P259-Y261 HydrophobicContact CB-CE2 3.62Å; P259-Y261 PolarHBondContact O-N 3.34Å; Y261-R263 PolarHBondContact O-N 2.96Å
262E51.3Low59.6Low142 Ų14270.5 Ų70.566%0.66438%0.375SS*.G310 helixtrans-79.4-4.8178.7-68.4179.9-172.300112.6P259 G264P259-E262 HydrophobicContact CB-CG 4.17Å; P259-E262 WeakPolarHBondContact CD-OE2 2.94Å; P259-E262 HydrophobicContact CG-CG 4.4Å; P259-E262 PolarHBondContact O-N 3.16Å; P259-E262 VanDerWaalsContact O-N 3.1Å; E262-G264 VanDerWaalsContact C-N 3.31Å; E262-G264 PolarHBondContact O-N 3.03Å
263R59.7Low57.1Low50 Ų5071 Ų7119%0.18938%0.377CS..G310 helixtrans-82.32.9-172.1-61-175-170.41784.4115.4Y255 C258 Y261Y255-R263 PolarHBondContact O-NH2 2.73Å; Y255-R263 PolarHBondContact OH-NH1 2.96Å; C258-R263 PolarHBondContact O-NE 3.41Å; C258-R263 PolarHBondContact O-NH2 3.44Å; Y261-R263 PolarHBondContact O-N 2.96Å
264G47.4Very low54.4Low45 Ų4567.7 Ų67.746%0.46436%0.364SS..  trans65.9101.417500000114E262 N298E262-G264 VanDerWaalsContact C-N 3.31Å; E262-G264 PolarHBondContact O-N 3.03Å; G264-N298 PolarHBondContact O-ND2 2.88Å
265V42.5Very low51.7Low80 Ų8070.1 Ų70.149%0.48537%0.369SS..  trans-91105.1171.2-173.20000107.9I276V265-I276 HydrophobicContact CG1-CD1 4.46Å
266S42.7Very low49.2Very low94 Ų9470.7 Ų70.766%0.65737%0.374SS*.  trans-115.7-20.3172.276.90000114.8
267M34.8Very low46.6Very low125 Ų12571.5 Ų71.562%0.61638%0.383SS*.SBendtrans-154.9155.3175.7-66.2-168.3-53.600112.2
268S38.7Very low44Very low20 Ų2069.1 Ų69.114%0.1438%0.382CS..  trans-67.7124.3162.5-175.30000108.8L270 F273 G274S268-L270 VanDerWaalsContact C-N 3.27Å; S268-L270 PolarHBondContact O-N 3.36Å; S268-F273 WeakPolarHBondContact OG-CB 3.1Å; S268-G274 VanDerWaalsContact CB-O 3.24Å; S268-G274 WeakPolarHBondContact CB-O 3.15Å; S268-G274 PolarHBondContact OG-O 3.02Å
269P36.9Very low41.8Very low36 Ų3671.6 Ų71.623%0.23439%0.389CS..SBendtrans-81.1-4.8-165.138-43.2000112.7H219 F273 A297H219-P269 WeakPolarHBondContact NE2-CG 3.49Å; P269-F273 HydrophobicContact CG-CD2 3.46Å; P269-F273 VanDerWaalsContact CG-CD2 3.46Å; P269-F273 HydrophobicContact CG-CE2 3.53Å; P269-F273 HydrophobicContact CG-CG 4.34Å; P269-F273 HydrophobicContact CG-CZ 4.43Å; P269-A297 VanDerWaalsContact CB-O 3.32Å; P269-A297 WeakPolarHBondContact CB-O 3.47Å; P269-A297 WeakPolarHBondContact CD-O 3.48Å; P269-A297 WeakPolarHBondContact CG-O 3.16Å
270L34.4Very low40Very low14 Ų1473.1 Ų73.17%0.07340%0.401CS..SBendtrans-149.2151173.7-62.4169.9000111.2R214 F218 S268 V272 F273R214-L270 HydrophobicContact CB-CD1 3.85Å; R214-L270 HydrophobicContact CG-CD1 3.71Å; F218-L270 HydrophobicContact CB-CD2 4.32Å; F218-L270 HydrophobicContact CD1-CD2 4.07Å; F218-L270 HydrophobicContact CD2-CD1 3.86Å; F218-L270 HydrophobicContact CD2-CD2 3.43Å; F218-L270 VanDerWaalsContact CD2-CD2 3.43Å; F218-L270 HydrophobicContact CD2-CG 4.19Å; F218-L270 HydrophobicContact CE1-CD2 4.18Å; F218-L270 HydrophobicContact CE2-CD1 4.19Å; F218-L270 HydrophobicContact CE2-CD2 3.56Å; F218-L270 HydrophobicContact CG-CD2 3.69Å; F218-L270 HydrophobicContact CZ-CD2 3.91Å; S268-L270 VanDerWaalsContact C-N 3.27Å; S268-L270 PolarHBondContact O-N 3.36Å; L270-V272 HydrophobicContact CB-CB 4.26Å; L270-V272 PolarHBondContact O-N 2.87Å; L270-F273 HydrophobicContact CB-CD2 3.79Å; L270-F273 HydrophobicContact CB-CE2 4.41Å; L270-F273 HydrophobicContact CD1-CD2 4.2Å; L270-F273 HydrophobicContact CD1-CE2 3.98Å; L270-F273 HydrophobicContact CG-CD2 4.16Å; L270-F273 HydrophobicContact CG-CE2 4.3Å; L270-F273 PolarHBondContact O-N 3.48Å
271P38.2Very low38.7Very low80 Ų8079.7 Ų79.752%0.51943%0.431SS..G310 helixtrans-54.9-17165.8-20.831.5000113.2G274 Y355P271-G274 PolarHBondContact O-N 3.27Å; P271-Y355 HydrophobicContact CB-CE2 4.15Å
272V35.8Very low38Very low18 Ų1876.7 Ų76.711%0.10943%0.433CS..G310 helixtrans-85.4-16.5179.6-172.90000112.9R214 L270 G274R214-V272 VanDerWaalsContact NH2-CG2 3.27Å; L270-V272 HydrophobicContact CB-CB 4.26Å; L270-V272 PolarHBondContact O-N 2.87Å; V272-G274 PolarHBondContact O-N 3.28Å
273F38Very low37.2Very low12 Ų1272.5 Ų72.55%0.05342%0.419CS..G310 helixtrans-82.99.3168-77.1-74.9000111.9T125 A129 S268 P269 L270T125-F273 HydrophobicContact CG2-CD1 3.34Å; T125-F273 HydrophobicContact CG2-CE1 3.37Å; T125-F273 HydrophobicContact CG2-CG 4.19Å; T125-F273 HydrophobicContact CG2-CZ 4.23Å; A129-F273 HydrophobicContact CB-CE1 3.97Å; A129-F273 HydrophobicContact CB-CZ 4.05Å; S268-F273 WeakPolarHBondContact OG-CB 3.1Å; P269-F273 HydrophobicContact CG-CD2 3.46Å; P269-F273 VanDerWaalsContact CG-CD2 3.46Å; P269-F273 HydrophobicContact CG-CE2 3.53Å; P269-F273 HydrophobicContact CG-CG 4.34Å; P269-F273 HydrophobicContact CG-CZ 4.43Å; L270-F273 HydrophobicContact CB-CD2 3.79Å; L270-F273 HydrophobicContact CB-CE2 4.41Å; L270-F273 HydrophobicContact CD1-CD2 4.2Å; L270-F273 HydrophobicContact CD1-CE2 3.98Å; L270-F273 HydrophobicContact CG-CD2 4.16Å; L270-F273 HydrophobicContact CG-CE2 4.3Å; L270-F273 PolarHBondContact O-N 3.48Å
274G35.1Very low36.2Very low11 Ų1176.2 Ų76.211%0.11345%0.453CS..  trans62.3157.5-156.800000109.4S268 P271 V272 I276S268-G274 VanDerWaalsContact CB-O 3.24Å; S268-G274 WeakPolarHBondContact CB-O 3.15Å; S268-G274 PolarHBondContact OG-O 3.02Å; P271-G274 PolarHBondContact O-N 3.27Å; V272-G274 PolarHBondContact O-N 3.28Å; G274-I276 PolarHBondContact O-N 3.28Å; G274-I276 VanDerWaalsContact O-N 3.1Å
275N32.5Very low35.6Very low112 Ų11277.8 Ų77.860%0.59945%0.454SS*.  trans-58.9122.8153.3-71.8-28.9000105.3M277N275-M277 PolarHBondContact O-N 3.08Å
276I34.1Very low35.4Very low38 Ų3883.8 Ų83.820%0.19547%0.473CS..  trans-52109.5143.3-73.6167.3000101V265 G274 T278 I289 I294 A297V265-I276 HydrophobicContact CG1-CD1 4.46Å; G274-I276 PolarHBondContact O-N 3.28Å; G274-I276 VanDerWaalsContact O-N 3.1Å; I276-T278 PolarHBondContact O-N 3.42Å; I276-I289 HydrophobicContact CB-CD1 4.25Å; I276-I289 HydrophobicContact CG1-CD1 3.98Å; I276-I289 HydrophobicContact CG2-CD1 3.62Å; I276-I294 HydrophobicContact CD1-CD1 3.79Å; I276-I294 HydrophobicContact CD1-CG1 4.33Å; I276-I294 HydrophobicContact CG1-CD1 4.04Å; I276-A297 HydrophobicContact CD1-CB 4.39Å
277M31.3Very low35.6Very low109 Ų10985.6 Ų85.654%0.53748%0.476SS..  trans-49.398.1-179.8-74.8-92.7163.700106.6N275 H279N275-M277 PolarHBondContact O-N 3.08Å; M277-H279 PolarHBondContact O-N 2.95Å
278T31Very low36.6Very low113 Ų11384 Ų8469%0.69348%0.477SS*.  trans-71.382.715544.30000101.6I276 S280I276-T278 PolarHBondContact O-N 3.42Å; T278-S280 PolarHBondContact O-N 3.49Å
279H32.3Very low37.6Very low97 Ų9786.1 Ų86.145%0.44949%0.486SS..  trans-48.6117.1170.1-82.9-82.6000105.2M277 E281 S283M277-H279 PolarHBondContact O-N 2.95Å; H279-E281 PolarHBondContact O-N 3.1Å; H279-S283 PolarHBondContact ND1-OG 3.43Å
280S29.6Very low39.2Very low79 Ų7991.9 Ų91.955%0.55251%0.51SS*.  trans-33.7133.415549.10000107.5T278 T282 S283T278-S280 PolarHBondContact O-N 3.49Å; S280-T282 PolarHBondContact O-N 3.28Å; S280-S283 PolarHBondContact O-N 2.9Å
281E35.1Very low41.2Very low207 Ų20791.4 Ų91.497%0.96751%0.507SS*.THydrogen-bonded Turntrans-56.814.5-172.1-67.6-179.8146.300115.5H279H279-E281 PolarHBondContact O-N 3.1Å
282T36.5Very low43.1Very low129 Ų12991 Ų9179%0.79151%0.506SS*.THydrogen-bonded Turntrans-120.710.6-172.458.10000115.3S280S280-T282 PolarHBondContact O-N 3.28Å
283S34.7Very low45Very low53 Ų5393.5 Ų93.537%0.37151%0.514SS..  trans-123.3111.617261.20000112.9H279 S280 V285H279-S283 PolarHBondContact ND1-OG 3.43Å; S280-S283 PolarHBondContact O-N 2.9Å; S283-V285 PolarHBondContact O-N 3.08Å
284S38.1Very low46.5Very low128 Ų12894.4 Ų94.490%0.89552%0.519SS*.  trans-70.230.2-175.155.20000116
285V36.5Very low47.8Very low79 Ų7995.7 Ų95.748%0.47952%0.522SS..  trans-119.882.4174.8-172.40000108.4S283 N287S283-V285 PolarHBondContact O-N 3.08Å; V285-N287 HydrophobicContact CG1-CB 4.44Å; V285-N287 WeakPolarHBondContact CG1-OD1 3.14Å; V285-N287 PolarHBondContact O-N 2.66Å
286K36.6Very low49.2Very low206 Ų20690.7 Ų90.790%0.89650%0.496SS*.  trans-69.476.2160.9-75.2-177.7176.6178.70107.8S288K286-S288 VanDerWaalsContact C-N 3.31Å; K286-S288 PolarHBondContact O-N 2.71Å
287N46.8Very low50.2Low132 Ų13288.9 Ų88.971%0.70649%0.486SS*.  trans-67.2101.4161.8-83.8-9.7000106.1V285 I289V285-N287 HydrophobicContact CG1-CB 4.44Å; V285-N287 WeakPolarHBondContact CG1-OD1 3.14Å; V285-N287 PolarHBondContact O-N 2.66Å; N287-I289 PolarHBondContact O-N 3.38Å; N287-I289 VanDerWaalsContact O-N 3.08Å
288S55.9Low51.4Low91 Ų9186.3 Ų86.364%0.63648%0.475SS*.  trans-55.2115.7170.954.50000108K286 Q290K286-S288 VanDerWaalsContact C-N 3.31Å; K286-S288 PolarHBondContact O-N 2.71Å; S288-Q290 WeakPolarHBondContact O-CG 3.39Å; S288-Q290 PolarHBondContact O-N 2.95Å
289I59.8Low52.9Low65 Ų6581.3 Ų81.333%0.33344%0.444SS..  trans-53.1120.8173.4-65.7175.8000108E113 I276 N287 C291 I294E113-I289 HydrophobicContact CG-CG2 4.01Å; E113-I289 WeakPolarHBondContact OE1-CG2 3.14Å; I276-I289 HydrophobicContact CB-CD1 4.25Å; I276-I289 HydrophobicContact CG1-CD1 3.98Å; I276-I289 HydrophobicContact CG2-CD1 3.62Å; N287-I289 PolarHBondContact O-N 3.38Å; N287-I289 VanDerWaalsContact O-N 3.08Å; I289-C291 HydrophobicContact CG2-CB 4.13Å; I289-I294 HydrophobicContact CD1-CD1 4.42Å; I289-I294 HydrophobicContact CG2-CB 4.1Å; I289-I294 HydrophobicContact CG2-CD1 3.92Å; I289-I294 HydrophobicContact CG2-CG1 3.8Å
290Q70.3Confident54.9Low157 Ų15780.2 Ų80.273%0.73445%0.448SS*.  trans-91.9-1.1-174.3-62.7-169.9-20.200113.6E113 S288 S292E113-Q290 PolarHBondContact OE1-N 3.41Å; E113-Q290 PolarHBondContact OE2-N 2.99Å; S288-Q290 WeakPolarHBondContact O-CG 3.39Å; S288-Q290 PolarHBondContact O-N 2.95Å; Q290-S292 PolarHBondContact O-N 3.15Å; Q290-S292 VanDerWaalsContact O-N 3.15Å
291C76.1Confident57.6Low3 Ų376.5 Ų76.52%0.0242%0.421CS..  trans-68.4114.1-178.1-177.10000110.4E113 C114 I289 Y293 I294E113-C291 WeakPolarHBondContact OE1-CA 3.24Å; E113-C291 WeakPolarHBondContact OE1-CB 2.98Å; E113-C291 PolarHBondContact OE1-N 3.31Å; C114-C291 VanDerWaalsContact SG-CB 3.59Å; I289-C291 HydrophobicContact CG2-CB 4.13Å; C291-Y293 PolarHBondContact O-N 2.73Å; C291-Y293 PolarHBondContact SG-N 2.8Å; C291-I294 HydrophobicContact CB-CB 4.32Å; C291-I294 WeakPolarHBondContact O-CB 3.5Å; C291-I294 WeakPolarHBondContact O-CG2 3.31Å; C291-I294 PolarHBondContact O-N 3.47Å
292S78.4Confident60.2Low72 Ų7267.6 Ų67.650%0.50338%0.381SS..THydrogen-bonded Turntrans-57.6-19.2176.452.30000113.9Q290 H295Q290-S292 PolarHBondContact O-N 3.15Å; Q290-S292 VanDerWaalsContact O-N 3.15Å; S292-H295 PolarHBondContact O-CE1 2.97Å; S292-H295 PolarHBondContact O-ND1 2.69Å
293Y75.6Confident62.8Low71 Ų7161.5 Ų61.528%0.27834%0.344SS..THydrogen-bonded Turntrans-96.6-3.2-179.6-59.9-80.5000114.1E127 S130 C291 H295 L296E127-Y293 HydrophobicContact CB-CD2 3.79Å; E127-Y293 HydrophobicContact CB-CE2 3.87Å; E127-Y293 HydrophobicContact CB-CG 4.22Å; E127-Y293 HydrophobicContact CG-CD2 4.23Å; E127-Y293 HydrophobicContact CG-CE2 3.78Å; S130-Y293 VanDerWaalsContact CB-CD1 3.49Å; C291-Y293 PolarHBondContact O-N 2.73Å; C291-Y293 PolarHBondContact SG-N 2.8Å; Y293-H295 PolarHBondContact O-N 2.97Å; Y293-H295 VanDerWaalsContact O-N 3.12Å; Y293-L296 WeakPolarHBondContact O-CB 3.44Å; Y293-L296 PolarHBondContact O-N 3.08Å
294I69.6Low65.6Low31 Ų3159.3 Ų59.316%0.15933%0.328CS..G310 helixtrans-58.3-30-174-167.863.3000113.5H126 I276 I289 C291 L296 A297H126-I294 VanDerWaalsContact CE1-CD1 3.43Å; H126-I294 WeakPolarHBondContact CE1-CD1 3.25Å; H126-I294 WeakPolarHBondContact NE2-CD1 3.45Å; I276-I294 HydrophobicContact CD1-CD1 3.79Å; I276-I294 HydrophobicContact CD1-CG1 4.33Å; I276-I294 HydrophobicContact CG1-CD1 4.04Å; I289-I294 HydrophobicContact CD1-CD1 4.42Å; I289-I294 HydrophobicContact CG2-CB 4.1Å; I289-I294 HydrophobicContact CG2-CD1 3.92Å; I289-I294 HydrophobicContact CG2-CG1 3.8Å; C291-I294 HydrophobicContact CB-CB 4.32Å; C291-I294 WeakPolarHBondContact O-CB 3.5Å; C291-I294 WeakPolarHBondContact O-CG2 3.31Å; C291-I294 PolarHBondContact O-N 3.47Å; I294-L296 PolarHBondContact O-N 3.49Å; I294-L296 VanDerWaalsContact O-N 3.07Å; I294-A297 WeakPolarHBondContact O-CB 3.4Å; I294-A297 PolarHBondContact O-N 2.73Å
295H63.5Low68.3Low37 Ų3753.2 Ų53.217%0.17129%0.285CS..G310 helixtrans-60.6-19.4179.263.8-92.8000113Q260 S292 Y293 A297Q260-H295 VanDerWaalsContact CB-CD2 3.46Å; Q260-H295 WeakPolarHBondContact CB-CD2 3.26Å; Q260-H295 PolarHBondContact OE1-NE2 3.31Å; S292-H295 PolarHBondContact O-CE1 2.97Å; S292-H295 PolarHBondContact O-ND1 2.69Å; Y293-H295 PolarHBondContact O-N 2.97Å; Y293-H295 VanDerWaalsContact O-N 3.12Å; H295-A297 VanDerWaalsContact C-N 3.27Å
296L61.9Low71Confident8 Ų849.4 Ų49.44%0.04226%0.263CS..G310 helixtrans-85.62.4176-56.8174.7000113.3S130 Q260 Y293 I294 N298 P299S130-L296 VanDerWaalsContact CA-CD1 3.42Å; S130-L296 WeakPolarHBondContact OG-CD1 3.36Å; Q260-L296 HydrophobicContact CG-CD2 4.49Å; Y293-L296 WeakPolarHBondContact O-CB 3.44Å; Y293-L296 PolarHBondContact O-N 3.08Å; I294-L296 PolarHBondContact O-N 3.49Å; I294-L296 VanDerWaalsContact O-N 3.07Å; L296-N298 PolarHBondContact O-N 3.3Å; L296-P299 WeakPolarHBondContact O-CD 3.45Å
297A54.6Low73.7Confident0 Ų039.6 Ų39.60%022%0.22CC..G310 helixtrans-64.6-19.2174.400000112H219 P269 I276 I294 H295H219-A297 PolarHBondContact CE1-O 3.37Å; P269-A297 VanDerWaalsContact CB-O 3.32Å; P269-A297 WeakPolarHBondContact CB-O 3.47Å; P269-A297 WeakPolarHBondContact CD-O 3.48Å; P269-A297 WeakPolarHBondContact CG-O 3.16Å; I276-A297 HydrophobicContact CD1-CB 4.39Å; I294-A297 WeakPolarHBondContact O-CB 3.4Å; I294-A297 PolarHBondContact O-N 2.73Å; H295-A297 VanDerWaalsContact C-N 3.27Å
298N57.2Low75.9Confident54 Ų5433.4 Ų33.429%0.28919%0.186SC..  trans-138.148.5-174.4-161.231.3000117.2G264 L296 S300G264-N298 PolarHBondContact O-ND2 2.88Å; L296-N298 PolarHBondContact O-N 3.3Å; N298-S300 PolarHBondContact O-N 3.49Å
299P62.2Low77.6Confident8 Ų829.6 Ų29.65%0.05216%0.159CC..  trans-73.4125.9169.728.1-33.2000111H219 Y255 L296 L301H219-P299 WeakPolarHBondContact CB-O 3.12Å; H219-P299 VanDerWaalsContact ND1-CD 3.32Å; H219-P299 WeakPolarHBondContact ND1-CD 3.39Å; H219-P299 WeakPolarHBondContact ND1-CG 3.36Å; H219-P299 PolarHBondContact ND1-O 3.48Å; H219-P299 VanDerWaalsContact ND1-O 3.08Å; Y255-P299 HydrophobicContact CE2-CB 4.45Å; Y255-P299 WeakPolarHBondContact OH-CB 3.38Å; L296-P299 WeakPolarHBondContact O-CD 3.45Å; P299-L301 PolarHBondContact O-N 2.6Å
300S74.2Confident79Confident75 Ų7526.9 Ų26.952%0.52414%0.144SC..  trans-86.793.5154.1-169.90000107.5H219 N298H219-S300 CarbonylContact O-C 3.58Å; H219-S300 WeakPolarHBondContact O-CA 3.35Å; N298-S300 PolarHBondContact O-N 3.49Å
301L85.4Confident79.9Confident0 Ų019.5 Ų19.50%011%0.11CC..EExtended strand (participates in β ladder)trans-62.8129.7176.7-77.7168.6000108.9H133 L136 L137 L215 H219 K221 Y255 P299 I303H133-L301 VanDerWaalsContact NE2-CD2 3.34Å; H133-L301 WeakPolarHBondContact NE2-CD2 3.24Å; L136-L301 HydrophobicContact CD2-CD1 3.8Å; L137-L301 HydrophobicContact CD2-CD2 4.29Å; L215-L301 HydrophobicContact CD1-CD1 3.77Å; L215-L301 HydrophobicContact CD2-CD1 4.06Å; L215-L301 HydrophobicContact CG-CD1 3.65Å; H219-L301 HydrophobicContact CB-CD1 4.32Å; H219-L301 PolarHBondContact O-N 3.2Å; K221-L301 VanDerWaalsContact CB-O 3.3Å; K221-L301 WeakPolarHBondContact CB-O 3.17Å; K221-L301 PolarHBondContact N-O 3.43Å; Y255-L301 HydrophobicContact CD1-CD2 4.46Å; Y255-L301 HydrophobicContact CE1-CD2 3.72Å; P299-L301 PolarHBondContact O-N 2.6Å; L301-I303 HydrophobicContact CB-CD1 4Å; L301-I303 HydrophobicContact CB-CG1 3.8Å; L301-I303 HydrophobicContact CB-CG2 4.35Å; L301-I303 HydrophobicContact CD1-CD1 3.88Å; L301-I303 PolarHBondContact O-N 3.48Å
302P89.6Confident80.5Confident20 Ų2019.4 Ų19.413%0.1311%0.109CC..EExtended strand (participates in β ladder)trans-76.652.1178.735.9-39.9000111.2L252 Y255L252-P302 HydrophobicContact CD1-CG 4.22Å; Y255-P302 HydrophobicContact CD2-CG 4.23Å; Y255-P302 HydrophobicContact CG-CG 3.92Å
303I92Very high81Confident1 Ų117.3 Ų17.31%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-125.8152.2-177.473.5179.8000110.1L136 L216 S220 K221 Y222 V245 A246 F247 L252 L301 T305L136-I303 HydrophobicContact CD2-CD1 3.98Å; L216-I303 HydrophobicContact CD2-CD1 4.1Å; S220-I303 WeakPolarHBondContact OG-CD1 3.44Å; S220-I303 WeakPolarHBondContact OG-CG1 3.17Å; K221-I303 PolarHBondContact N-O 2.91Å; Y222-I303 PolarHBondContact N-O 2.94Å; V245-I303 HydrophobicContact CG1-CD1 4.39Å; A246-I303 CarbonylContact O-C 3.55Å; A246-I303 VanDerWaalsContact O-CA 3.28Å; A246-I303 WeakPolarHBondContact O-CA 3.41Å; F247-I303 HydrophobicContact CB-CB 4.46Å; F247-I303 HydrophobicContact CB-CG2 3.91Å; L252-I303 HydrophobicContact CD1-CG2 4.3Å; L301-I303 HydrophobicContact CB-CD1 4Å; L301-I303 HydrophobicContact CB-CG1 3.8Å; L301-I303 HydrophobicContact CB-CG2 4.35Å; L301-I303 HydrophobicContact CD1-CD1 3.88Å; L301-I303 PolarHBondContact O-N 3.48Å; I303-T305 HydrophobicContact CD1-CG2 3.88Å; I303-T305 HydrophobicContact CG1-CG2 4.09Å
304M93.4Very high81.4Confident7 Ų716.6 Ų16.63%0.0349%0.092CC..EExtended strand (participates in β ladder)trans-105.4132.8167.6-179.4-174.2179.900108.7M170 L173 I174 V180 F181 Y222 V245 A246 V306M170-M304 HydrophobicContact CE-CB 4.07Å; M170-M304 HydrophobicContact CE-CE 4.33Å; M170-M304 HydrophobicContact CE-CG 3.73Å; M170-M304 HydrophobicContact CE-SD 3.74Å; L173-M304 HydrophobicContact CB-CE 4.03Å; I174-M304 HydrophobicContact CG1-SD 4.26Å; V180-M304 HydrophobicContact CG1-CB 4.04Å; V180-M304 HydrophobicContact CG1-CG 4.4Å; V180-M304 HydrophobicContact CG1-SD 4.35Å; F181-M304 HydrophobicContact CE2-CB 4.39Å; F181-M304 HydrophobicContact CZ-CB 3.82Å; Y222-M304 CarbonylContact O-C 3.49Å; Y222-M304 WeakPolarHBondContact O-CA 3.47Å; V245-M304 CarbonylContact C-O 3.54Å; V245-M304 WeakPolarHBondContact CA-O 3.33Å; A246-M304 HydrophobicContact CB-CB 4.35Å; A246-M304 PolarHBondContact N-O 3.36Å; A246-M304 PolarHBondContact O-N 3.12Å; M304-V306 HydrophobicContact CE-CG2 4.11Å
305T94.3Very high82.2Confident0 Ų018.8 Ų18.80%011%0.11CC..EExtended strand (participates in β ladder)trans-128.4142.7178.357.70000112L216 S220 Y222 K223 Q224 F226 G244 V245 I303L216-T305 HydrophobicContact CB-CG2 4.06Å; L216-T305 HydrophobicContact CD2-CG2 3.81Å; L216-T305 PolarHBondContact O-OG1 2.78Å; S220-T305 WeakPolarHBondContact CB-OG1 3.33Å; S220-T305 WeakPolarHBondContact OG-CG2 3.4Å; S220-T305 PolarHBondContact OG-OG1 3.45Å; Y222-T305 PolarHBondContact O-N 3Å; Y222-T305 PolarHBondContact O-OG1 2.86Å; K223-T305 CarbonylContact C-O 3.54Å; K223-T305 VanDerWaalsContact CA-O 3.25Å; K223-T305 WeakPolarHBondContact CA-O 3.42Å; Q224-T305 PolarHBondContact N-O 3.26Å; F226-T305 WeakPolarHBondContact CE2-OG1 3.39Å; G244-T305 CarbonylContact O-C 3.6Å; G244-T305 VanDerWaalsContact O-CA 3.29Å; G244-T305 WeakPolarHBondContact O-CA 3.42Å; V245-T305 HydrophobicContact CG1-CG2 4.38Å; V245-T305 HydrophobicContact CG2-CG2 4.28Å; I303-T305 HydrophobicContact CD1-CG2 3.88Å; I303-T305 HydrophobicContact CG1-CG2 4.09Å
306V94Very high83.1Confident0 Ų017.9 Ų17.90%011%0.106CC..EExtended strand (participates in β ladder)trans-135.8118.5179-178.90000108.6L167 M170 L173 Q224 V243 G244 M304 Y308L167-V306 HydrophobicContact CD1-CG1 3.63Å; M170-V306 HydrophobicContact CE-CG2 4.19Å; M170-V306 HydrophobicContact SD-CB 4.23Å; M170-V306 HydrophobicContact SD-CG2 3.73Å; L173-V306 HydrophobicContact CD1-CB 4.31Å; L173-V306 HydrophobicContact CD1-CG1 3.87Å; L173-V306 HydrophobicContact CD1-CG2 3.8Å; Q224-V306 HydrophobicContact CB-CG2 4.28Å; V243-V306 CarbonylContact C-O 3.56Å; V243-V306 VanDerWaalsContact CA-O 3.27Å; V243-V306 WeakPolarHBondContact CA-O 3.35Å; V243-V306 WeakPolarHBondContact CG1-O 3.47Å; G244-V306 PolarHBondContact N-O 3.01Å; G244-V306 PolarHBondContact O-N 3.48Å; M304-V306 HydrophobicContact CE-CG2 4.11Å; V306-Y308 HydrophobicContact CB-CE2 4.06Å; V306-Y308 HydrophobicContact CG1-CD2 4.38Å; V306-Y308 HydrophobicContact CG1-CE1 4.3Å; V306-Y308 HydrophobicContact CG1-CE2 3.95Å; V306-Y308 WeakPolarHBondContact O-CD2 3.36Å
307C93.2Very high84.1Confident0 Ų018.1 Ų18.10%011%0.107CC..EExtended strand (participates in β ladder)trans-83.1118.9174.4-175.80000110Q224 N225 F226 Q309Q224-C307 PolarHBondContact O-N 2.84Å; N225-C307 WeakPolarHBondContact CB-O 3.35Å; N225-C307 PolarHBondContact ND2-O 2.63Å; F226-C307 HydrophobicContact CD1-CB 3.72Å; F226-C307 HydrophobicContact CD2-CB 4Å; F226-C307 HydrophobicContact CE1-CB 3.81Å; F226-C307 HydrophobicContact CE2-CB 4.07Å; F226-C307 HydrophobicContact CG-CB 3.83Å; F226-C307 HydrophobicContact CZ-CB 3.99Å; C307-Q309 PolarHBondContact SG-O 3.04Å
308Y92.9Very high85.5Confident1 Ų121.6 Ų21.60%0.00412%0.123CC..EExtended strand (participates in β ladder)trans-94.7-42.3177.9-71.1-83.1000111.9Y9 F159 I161 L167 S168 M170 Q242 V306Y9-Y308 HydrophobicContact CD1-CD2 4.49Å; Y9-Y308 HydrophobicContact CD1-CE2 4.12Å; Y9-Y308 AromaticContact CE1-CE2 3.79Å; Y9-Y308 HydrophobicContact CE1-CE2 3.79Å; F159-Y308 AromaticContact CE2-CD1 3.98Å; F159-Y308 HydrophobicContact CE2-CD1 3.98Å; F159-Y308 AromaticContact CE2-CE1 3.49Å; F159-Y308 HydrophobicContact CE2-CE1 3.49Å; F159-Y308 VanDerWaalsContact CE2-CE1 3.49Å; F159-Y308 AromaticContact CE2-CZ 3.85Å; F159-Y308 AromaticContact CZ-CD1 3.97Å; F159-Y308 HydrophobicContact CZ-CD1 3.97Å; F159-Y308 AromaticContact CZ-CE1 3.73Å; F159-Y308 HydrophobicContact CZ-CE1 3.73Å; I161-Y308 HydrophobicContact CD1-CD1 4.32Å; I161-Y308 HydrophobicContact CD1-CD2 3.64Å; I161-Y308 HydrophobicContact CD1-CE2 4.34Å; I161-Y308 HydrophobicContact CD1-CG 3.63Å; I161-Y308 HydrophobicContact CG1-CD1 4.02Å; I161-Y308 HydrophobicContact CG1-CD2 4.21Å; I161-Y308 HydrophobicContact CG1-CG 3.83Å; I161-Y308 HydrophobicContact CG2-CG 4.49Å; L167-Y308 HydrophobicContact CB-CD1 3.85Å; L167-Y308 HydrophobicContact CB-CE1 3.6Å; L167-Y308 HydrophobicContact CD1-CD1 4.06Å; L167-Y308 HydrophobicContact CD1-CE1 4.22Å; S168-Y308 WeakPolarHBondContact O-CE1 3.31Å; S168-Y308 PolarHBondContact O-OH 3.49Å; M170-Y308 PolarHBondContact N-OH 3.01Å; Q242-Y308 PolarHBondContact O-N 3.35Å; V306-Y308 HydrophobicContact CB-CE2 4.06Å; V306-Y308 HydrophobicContact CG1-CD2 4.38Å; V306-Y308 HydrophobicContact CG1-CE1 4.3Å; V306-Y308 HydrophobicContact CG1-CE2 3.95Å; V306-Y308 WeakPolarHBondContact O-CD2 3.36Å
309Q91.4Very high86.6Confident12 Ų1223 Ų236%0.05613%0.127CC..EExtended strand (participates in β ladder)trans-133.2138.6176.5-60.1-61.4-15.500109I161 I162 S164 C241 Q242 C307 A312 F317I161-Q309 HydrophobicContact CG2-CG 4.1Å; I162-Q309 PolarHBondContact O-NE2 3.36Å; S164-Q309 PolarHBondContact O-NE2 3.34Å; S164-Q309 VanDerWaalsContact O-NE2 3.14Å; C241-Q309 CarbonylContact C-O 3.53Å; C241-Q309 VanDerWaalsContact CA-O 3.32Å; C241-Q309 WeakPolarHBondContact CA-O 3.26Å; Q242-Q309 HydrophobicContact CB-CB 4.06Å; Q242-Q309 HydrophobicContact CB-CG 4.33Å; Q242-Q309 HydrophobicContact CG-CB 4.32Å; Q242-Q309 PolarHBondContact N-O 3.37Å; Q242-Q309 PolarHBondContact O-N 3.42Å; C307-Q309 PolarHBondContact SG-O 3.04Å; Q309-A312 HydrophobicContact CB-CB 4.49Å; Q309-F317 HydrophobicContact CG-CE1 4.2Å; Q309-F317 HydrophobicContact CG-CZ 4.32Å
310F89.4Confident87.1Confident7 Ų723.7 Ų23.73%0.03113%0.129CC..EExtended strand (participates in β ladder)trans-129.1123.7178.1-168-86000110.2L213 P227 C230 V231 A312L213-F310 HydrophobicContact CD1-CE2 3.92Å; L213-F310 HydrophobicContact CD1-CZ 4.38Å; P227-F310 HydrophobicContact CG-CB 3.87Å; P227-F310 HydrophobicContact CG-CD1 3.59Å; P227-F310 HydrophobicContact CG-CD2 3.64Å; P227-F310 HydrophobicContact CG-CE1 4.06Å; P227-F310 HydrophobicContact CG-CE2 4.08Å; P227-F310 HydrophobicContact CG-CG 3.38Å; P227-F310 HydrophobicContact CG-CZ 4.3Å; C230-F310 HydrophobicContact CB-CD1 4.41Å; C230-F310 HydrophobicContact CB-CE1 3.88Å; C230-F310 WeakPolarHBondContact O-CE1 3.04Å; C230-F310 VanDerWaalsContact O-CZ 3.27Å; C230-F310 WeakPolarHBondContact O-CZ 3.27Å; V231-F310 HydrophobicContact CB-CE2 4.48Å; V231-F310 HydrophobicContact CG2-CE2 4.48Å; F310-A312 PolarHBondContact O-N 2.85Å; F310-A312 VanDerWaalsContact O-N 3.11Å
311N89.4Confident87.1Confident3 Ų325.9 Ų25.92%0.01613%0.131CC..EExtended strand (participates in β ladder)trans47.634.5179-162.930.5000114.9M235 N236 I240 C241 E341M235-N311 WeakPolarHBondContact CA-OD1 3.46Å; M235-N311 WeakPolarHBondContact CB-OD1 3.37Å; M235-N311 HydrophobicContact CG-CB 4.36Å; N236-N311 PolarHBondContact N-OD1 2.93Å; N236-N311 PolarHBondContact ND2-ND2 2.86Å; N236-N311 VanDerWaalsContact ND2-ND2 3.19Å; I240-N311 CarbonylContact O-C 3.47Å; I240-N311 WeakPolarHBondContact O-CA 3.33Å; I240-N311 PolarHBondContact O-N 2.83Å; C241-N311 PolarHBondContact SG-N 3.38Å; N311-E341 PolarHBondContact ND2-OE2 3.24Å
312A89.3Confident86.5Confident0 Ų033.3 Ų33.30%016%0.159CC..EExtended strand (participates in β ladder)trans-77.3129.1-176.600000111.1I240 Q309 F310 L316 F317I240-A312 PolarHBondContact N-O 3.17Å; I240-A312 PolarHBondContact O-N 3.29Å; Q309-A312 HydrophobicContact CB-CB 4.49Å; F310-A312 PolarHBondContact O-N 2.85Å; F310-A312 VanDerWaalsContact O-N 3.11Å; A312-L316 HydrophobicContact CB-CD2 3.95Å; A312-F317 HydrophobicContact CB-CD2 4.36Å; A312-F317 HydrophobicContact CB-CE1 3.97Å; A312-F317 HydrophobicContact CB-CE2 3.58Å; A312-F317 HydrophobicContact CB-CZ 3.36Å
313T87.2Confident85.7Confident29 Ų2934.9 Ų34.918%0.17817%0.166CC..  trans-96.4164.8172.960.70000110.7N236 S315 L316 F317N236-T313 HydrophobicContact CB-CG2 3.93Å; N236-T313 WeakPolarHBondContact ND2-CG2 3.48Å; T313-S315 VanDerWaalsContact C-N 3.27Å; T313-S315 PolarHBondContact O-N 3.44Å; T313-S315 PolarHBondContact OG1-OG 2.91Å; T313-S315 VanDerWaalsContact OG1-OG 3.04Å; T313-L316 WeakPolarHBondContact O-CB 3.5Å; T313-L316 PolarHBondContact O-N 3.1Å; T313-L316 VanDerWaalsContact O-N 3.09Å; T313-L316 PolarHBondContact OG1-N 3.5Å; T313-F317 WeakPolarHBondContact O-CD2 3.33Å; T313-F317 PolarHBondContact O-N 3.11Å; T313-F317 VanDerWaalsContact O-N 3.1Å
314K85.9Confident84.3Confident56 Ų5638.6 Ų38.624%0.24318%0.184CC..Hα-helixtrans-52.6-45.9173.7-177.5178.1178.6169.80112.3N44 I45 L48 L316 F317 E318N44-K314 HydrophobicContact CB-CD 3.84Å; N44-K314 VanDerWaalsContact O-CD 3.31Å; N44-K314 WeakPolarHBondContact O-CD 3.22Å; N44-K314 WeakPolarHBondContact O-CE 3.47Å; N44-K314 PolarHBondContact O-NZ 2.91Å; N44-K314 PolarHBondContact OD1-NZ 3.41Å; I45-K314 HydrophobicContact CD1-CB 3.84Å; L48-K314 HydrophobicContact CD1-CB 4.38Å; L48-K314 HydrophobicContact CD1-CG 4.2Å; K314-L316 PolarHBondContact O-N 2.62Å; K314-F317 PolarHBondContact O-N 2.89Å; K314-F317 VanDerWaalsContact O-N 3.14Å; K314-E318 WeakPolarHBondContact CE-OE1 3.28Å; K314-E318 HydrophobicContact CG-CG 4.37Å; K314-E318 WeakPolarHBondContact O-CG 3.27Å; K314-E318 PolarHBondContact O-N 3.3Å
315S84.7Confident83Confident76 Ų7645.6 Ų45.653%0.53122%0.216SC..Hα-helixtrans-62.5-33.6-179.4580000112.2T313 K319T313-S315 VanDerWaalsContact C-N 3.27Å; T313-S315 PolarHBondContact O-N 3.44Å; T313-S315 PolarHBondContact OG1-OG 2.91Å; T313-S315 VanDerWaalsContact OG1-OG 3.04Å; S315-K319 VanDerWaalsContact O-CB 3.27Å; S315-K319 WeakPolarHBondContact O-CB 3.44Å; S315-K319 PolarHBondContact O-N 2.7Å
316L82.9Confident81.8Confident19 Ų1949.1 Ų49.110%0.09924%0.235CC..Hα-helixtrans-66.9-44.3173.8-17366.9000111.5A312 T313 K314 K319 H320 T337A312-L316 HydrophobicContact CB-CD2 3.95Å; T313-L316 WeakPolarHBondContact O-CB 3.5Å; T313-L316 PolarHBondContact O-N 3.1Å; T313-L316 VanDerWaalsContact O-N 3.09Å; T313-L316 PolarHBondContact OG1-N 3.5Å; K314-L316 PolarHBondContact O-N 2.62Å; L316-K319 PolarHBondContact O-N 3.3Å; L316-H320 PolarHBondContact O-N 2.83Å; L316-H320 PolarHBondContact O-ND1 2.76Å; L316-T337 HydrophobicContact CD2-CG2 3.89Å
317F83.9Confident80.2Confident13 Ų1355 Ų556%0.05727%0.273CS..Hα-helixtrans-61.3-47.1175.5-70.8-61.5000112.2L48 I162 I240 Q309 A312 T313 K314 K319 H320 E321L48-F317 HydrophobicContact CD1-CB 4.21Å; L48-F317 HydrophobicContact CD1-CD2 3.63Å; L48-F317 HydrophobicContact CD1-CE2 4.36Å; L48-F317 HydrophobicContact CD1-CG 4.19Å; I162-F317 HydrophobicContact CB-CE1 4.17Å; I162-F317 HydrophobicContact CB-CZ 4.04Å; I162-F317 HydrophobicContact CG2-CD1 3.97Å; I162-F317 HydrophobicContact CG2-CD2 4.11Å; I162-F317 HydrophobicContact CG2-CE1 3.77Å; I162-F317 HydrophobicContact CG2-CE2 3.91Å; I162-F317 HydrophobicContact CG2-CG 4.14Å; I162-F317 HydrophobicContact CG2-CZ 3.72Å; I162-F317 VanDerWaalsContact O-CE1 3.27Å; I162-F317 WeakPolarHBondContact O-CE1 3.44Å; I240-F317 HydrophobicContact CB-CE2 4.42Å; I240-F317 HydrophobicContact CD1-CE2 4.21Å; Q309-F317 HydrophobicContact CG-CE1 4.2Å; Q309-F317 HydrophobicContact CG-CZ 4.32Å; A312-F317 HydrophobicContact CB-CD2 4.36Å; A312-F317 HydrophobicContact CB-CE1 3.97Å; A312-F317 HydrophobicContact CB-CE2 3.58Å; A312-F317 HydrophobicContact CB-CZ 3.36Å; T313-F317 WeakPolarHBondContact O-CD2 3.33Å; T313-F317 PolarHBondContact O-N 3.11Å; T313-F317 VanDerWaalsContact O-N 3.1Å; K314-F317 PolarHBondContact O-N 2.89Å; K314-F317 VanDerWaalsContact O-N 3.14Å; F317-K319 VanDerWaalsContact C-N 3.29Å; F317-K319 PolarHBondContact O-N 3.11Å; F317-H320 PolarHBondContact O-N 2.85Å; F317-E321 PolarHBondContact O-N 3.29Å
318E83.5Confident78.8Confident73 Ų7362.8 Ų62.834%0.34131%0.309SS..Hα-helixtrans-63.5-35.4177.2-68.8175.5176.500112.3K314 R322K314-E318 WeakPolarHBondContact CE-OE1 3.28Å; K314-E318 HydrophobicContact CG-CG 4.37Å; K314-E318 WeakPolarHBondContact O-CG 3.27Å; K314-E318 PolarHBondContact O-N 3.3Å; E318-R322 WeakPolarHBondContact O-CG 3.26Å; E318-R322 PolarHBondContact O-N 3.18Å; E318-R322 VanDerWaalsContact O-N 3.11Å
319K79.3Confident76.8Confident83 Ų8365.3 Ų65.336%0.36132%0.319SS..Hα-helixtrans-64-45.9174.2-176.5-177.1177.9-175.80110.7S315 L316 F317 R322 L323S315-K319 VanDerWaalsContact O-CB 3.27Å; S315-K319 WeakPolarHBondContact O-CB 3.44Å; S315-K319 PolarHBondContact O-N 2.7Å; L316-K319 PolarHBondContact O-N 3.3Å; F317-K319 VanDerWaalsContact C-N 3.29Å; F317-K319 PolarHBondContact O-N 3.11Å; K319-R322 PolarHBondContact O-N 3.41Å; K319-L323 HydrophobicContact CG-CD1 4.12Å; K319-L323 VanDerWaalsContact O-CG 3.29Å; K319-L323 WeakPolarHBondContact O-CG 3.08Å; K319-L323 PolarHBondContact O-N 2.76Å; K319-L323 VanDerWaalsContact O-N 3.1Å
320H72.7Confident75Confident23 Ų2372 Ų7211%0.10635%0.354CS..Hα-helixtrans-63.2-43.9177-69.4150000112.2L316 F317 R322 L323 Q324 Y329L316-H320 PolarHBondContact O-N 2.83Å; L316-H320 PolarHBondContact O-ND1 2.76Å; F317-H320 PolarHBondContact O-N 2.85Å; H320-R322 VanDerWaalsContact C-N 3.34Å; H320-R322 PolarHBondContact O-N 3.05Å; H320-L323 PolarHBondContact O-N 2.75Å; H320-L323 VanDerWaalsContact O-N 3.13Å; H320-Q324 WeakPolarHBondContact O-CG 3.22Å; H320-Q324 PolarHBondContact O-N 3.38Å; H320-Y329 PolarHBondContact CD2-OH 2.98Å
321E74.4Confident73.3Confident120 Ų12074.5 Ų74.556%0.56137%0.37SS*.Hα-helixtrans-58.6-45.4177.9-172.3177.5-16500111.6F317 L323 Q324 H325F317-E321 PolarHBondContact O-N 3.29Å; E321-L323 VanDerWaalsContact C-N 3.32Å; E321-L323 PolarHBondContact O-N 2.95Å; E321-Q324 PolarHBondContact O-N 3.42Å; E321-H325 PolarHBondContact O-CD2 3.31Å
322R74Confident71.5Confident156 Ų15675.7 Ų75.759%0.58938%0.377SS*.Hα-helixtrans-59.8-41174.6-73.9-172.7-64.3-94.11.3112.8E318 K319 H320 H325E318-R322 WeakPolarHBondContact O-CG 3.26Å; E318-R322 PolarHBondContact O-N 3.18Å; E318-R322 VanDerWaalsContact O-N 3.11Å; K319-R322 PolarHBondContact O-N 3.41Å; H320-R322 VanDerWaalsContact C-N 3.34Å; H320-R322 PolarHBondContact O-N 3.05Å; R322-H325 PolarHBondContact O-N 3.16Å
323L72.1Confident69.6Low54 Ų5477.9 Ų77.928%0.28339%0.39SS..Hα-helixtrans-72.6-31.5-179.8-68.5171.4000112.4K319 H320 E321 H325 D326 Y329 I332K319-L323 HydrophobicContact CG-CD1 4.12Å; K319-L323 VanDerWaalsContact O-CG 3.29Å; K319-L323 WeakPolarHBondContact O-CG 3.08Å; K319-L323 PolarHBondContact O-N 2.76Å; K319-L323 VanDerWaalsContact O-N 3.1Å; H320-L323 PolarHBondContact O-N 2.75Å; H320-L323 VanDerWaalsContact O-N 3.13Å; E321-L323 VanDerWaalsContact C-N 3.32Å; E321-L323 PolarHBondContact O-N 2.95Å; L323-H325 PolarHBondContact O-N 3.17Å; L323-D326 WeakPolarHBondContact O-CB 3.32Å; L323-D326 PolarHBondContact O-N 2.74Å; L323-Y329 HydrophobicContact CB-CD1 4.42Å; L323-Y329 HydrophobicContact CB-CD2 3.53Å; L323-Y329 HydrophobicContact CB-CE1 4.35Å; L323-Y329 HydrophobicContact CB-CE2 3.43Å; L323-Y329 VanDerWaalsContact CB-CE2 3.43Å; L323-Y329 HydrophobicContact CB-CG 4.01Å; L323-Y329 HydrophobicContact CD1-CD2 4.37Å; L323-Y329 HydrophobicContact CD1-CE2 3.73Å; L323-Y329 HydrophobicContact CG-CD2 4.38Å; L323-Y329 HydrophobicContact CG-CE2 4.14Å; L323-Y329 WeakPolarHBondContact O-CB 3.45Å; L323-Y329 VanDerWaalsContact O-CG 3.3Å; L323-I332 HydrophobicContact CD1-CD1 4.26Å
324Q63.3Low67.8Low79 Ų7977.4 Ų77.437%0.36939%0.388SS..Hα-helixtrans-66-19.8175.9-73.2-168.3-59.200114.1S164 H320 E321 D326 Y329S164-Q324 PolarHBondContact OG-NE2 3Å; S164-Q324 PolarHBondContact OG-OE1 3.47Å; H320-Q324 WeakPolarHBondContact O-CG 3.22Å; H320-Q324 PolarHBondContact O-N 3.38Å; E321-Q324 PolarHBondContact O-N 3.42Å; Q324-D326 VanDerWaalsContact C-N 3.27Å; Q324-Y329 HydrophobicContact CB-CD1 4.46Å; Q324-Y329 HydrophobicContact CG-CD1 3.83Å; Q324-Y329 HydrophobicContact CG-CE1 3.61Å
325H66.2Low66Low153 Ų15379.6 Ų79.671%0.70840%0.399SS*.THydrogen-bonded Turntrans-80.2-7.5170.6-68.3-61.7000113.4E321 R322 L323E321-H325 PolarHBondContact O-CD2 3.31Å; R322-H325 PolarHBondContact O-N 3.16Å; L323-H325 PolarHBondContact O-N 3.17Å
326D68.9Low64.1Low74 Ų7479.5 Ų79.540%0.39639%0.39SS..SBendtrans-81.8120.3171.7-173.1-20.4000109.8L323 Q324 H328 Y329L323-D326 WeakPolarHBondContact O-CB 3.32Å; L323-D326 PolarHBondContact O-N 2.74Å; Q324-D326 VanDerWaalsContact C-N 3.27Å; D326-H328 PolarHBondContact O-N 2.94Å; D326-H328 IonicContact OD1-CD2 3.79Å; D326-H328 PolarHBondContact OD1-N 3.17Å; D326-Y329 WeakPolarHBondContact O-CB 3.24Å; D326-Y329 PolarHBondContact O-N 2.86Å
327P60.3Low62.4Low123 Ų12379 Ų7980%0.79939%0.387SS*.THydrogen-bonded Turntrans-61.2-11.917923.7-32.6000114.5
328H64Low60.2Low165 Ų16579 Ų7976%0.76439%0.389SS*.THydrogen-bonded Turntrans-99.43.5176.2-62.7-63.6000114.4D326 L330D326-H328 PolarHBondContact O-N 2.94Å; D326-H328 IonicContact OD1-CD2 3.79Å; D326-H328 PolarHBondContact OD1-N 3.17Å; H328-L330 PolarHBondContact O-N 2.88Å
329Y49.8Very low57.8Low53 Ų5381.6 Ų81.621%0.20841%0.405CS..PPolyproline II helixtrans-77.5120.5-175.7-176.3-110.4000113.1H320 L323 Q324 D326 I332H320-Y329 PolarHBondContact CD2-OH 2.98Å; L323-Y329 HydrophobicContact CB-CD1 4.42Å; L323-Y329 HydrophobicContact CB-CD2 3.53Å; L323-Y329 HydrophobicContact CB-CE1 4.35Å; L323-Y329 HydrophobicContact CB-CE2 3.43Å; L323-Y329 VanDerWaalsContact CB-CE2 3.43Å; L323-Y329 HydrophobicContact CB-CG 4.01Å; L323-Y329 HydrophobicContact CD1-CD2 4.37Å; L323-Y329 HydrophobicContact CD1-CE2 3.73Å; L323-Y329 HydrophobicContact CG-CD2 4.38Å; L323-Y329 HydrophobicContact CG-CE2 4.14Å; L323-Y329 WeakPolarHBondContact O-CB 3.45Å; L323-Y329 VanDerWaalsContact O-CG 3.3Å; Q324-Y329 HydrophobicContact CB-CD1 4.46Å; Q324-Y329 HydrophobicContact CG-CD1 3.83Å; Q324-Y329 HydrophobicContact CG-CE1 3.61Å; D326-Y329 WeakPolarHBondContact O-CB 3.24Å; D326-Y329 PolarHBondContact O-N 2.86Å; Y329-I332 HydrophobicContact CE2-CD1 3.85Å; Y329-I332 HydrophobicContact CE2-CG1 3.79Å; Y329-I332 WeakPolarHBondContact OH-CD1 3.39Å; Y329-I332 WeakPolarHBondContact OH-CG1 3.49Å
330L54.4Low55.6Low152 Ų15282 Ų8280%0.79641%0.407SS*.PPolyproline II helixtrans-89.1136.2163-66.5166.8000107.9H328 I332H328-L330 PolarHBondContact O-N 2.88Å; L330-I332 PolarHBondContact O-N 3.4Å
331T53.3Low53.5Low61 Ų6183.2 Ų83.237%0.37441%0.413SS..PPolyproline II helixtrans-55.9130.1179.233.40000111.4D166 P333D166-T331 WeakPolarHBondContact OD1-CB 3.44Å; D166-T331 VanDerWaalsContact OD1-CG2 3.25Å; D166-T331 WeakPolarHBondContact OD1-CG2 3.43Å; D166-T331 PolarHBondContact OD1-OG1 3.16Å; D166-T331 WeakPolarHBondContact OD2-CB 3.43Å; D166-T331 PolarHBondContact OD2-OG1 2.92Å; D166-T331 VanDerWaalsContact OD2-OG1 3.06Å; T331-P333 VanDerWaalsContact O-CD 3.27Å; T331-P333 WeakPolarHBondContact O-CD 3.15Å
332I51.1Low51.2Low28 Ų2885.8 Ų85.814%0.14443%0.425CS..PPolyproline II helixtrans-74.6117.2179.9-72.1178.7000108.7L323 Y329 L330 E336 T337L323-I332 HydrophobicContact CD1-CD1 4.26Å; Y329-I332 HydrophobicContact CE2-CD1 3.85Å; Y329-I332 HydrophobicContact CE2-CG1 3.79Å; Y329-I332 WeakPolarHBondContact OH-CD1 3.39Å; Y329-I332 WeakPolarHBondContact OH-CG1 3.49Å; L330-I332 PolarHBondContact O-N 3.4Å; I332-E336 HydrophobicContact CG2-CB 3.4Å; I332-E336 HydrophobicContact CG2-CG 4.48Å; I332-T337 HydrophobicContact CG2-CG2 4.39Å
333P50.1Low48.9Very low45 Ų4589.2 Ų89.229%0.29244%0.438SS..PPolyproline II helixtrans-65157.2177.2-23.937.4000111.9T331 H335 E336 T337T331-P333 VanDerWaalsContact O-CD 3.27Å; T331-P333 WeakPolarHBondContact O-CD 3.15Å; P333-H335 WeakPolarHBondContact CB-CE1 3.48Å; P333-H335 WeakPolarHBondContact CB-ND1 3.38Å; P333-H335 VanDerWaalsContact CG-CE1 3.4Å; P333-H335 WeakPolarHBondContact CG-CE1 3.34Å; P333-H335 PolarHBondContact O-N 2.98Å; P333-E336 PolarHBondContact O-N 3.18Å; P333-T337 PolarHBondContact O-N 2.88Å
334T49.5Very low46.9Very low19 Ų1989.4 Ų89.412%0.11744%0.439CS..Hα-helixtrans-58.1-17.9175.248.50000114.6N225 T337 C338N225-T334 VanDerWaalsContact CG-OG1 3.22Å; N225-T334 WeakPolarHBondContact ND2-CG2 3.4Å; N225-T334 PolarHBondContact ND2-OG1 3.26Å; N225-T334 PolarHBondContact OD1-OG1 2.75Å; T334-T337 PolarHBondContact O-OG1 3.37Å; T334-C338 PolarHBondContact O-SG 2.51Å
335H47.4Very low45.3Very low103 Ų10389.6 Ų89.648%0.47745%0.447SS..Hα-helixtrans-76.2-25.4172.170-102.3000112.5P333 C338 L339P333-H335 WeakPolarHBondContact CB-CE1 3.48Å; P333-H335 WeakPolarHBondContact CB-ND1 3.38Å; P333-H335 VanDerWaalsContact CG-CE1 3.4Å; P333-H335 WeakPolarHBondContact CG-CE1 3.34Å; P333-H335 PolarHBondContact O-N 2.98Å; H335-C338 VanDerWaalsContact O-CB 3.29Å; H335-C338 WeakPolarHBondContact O-CB 3.24Å; H335-C338 PolarHBondContact O-N 3.29Å; H335-L339 VanDerWaalsContact O-CG 3.3Å; H335-L339 WeakPolarHBondContact O-CG 3.39Å; H335-L339 PolarHBondContact O-N 2.98Å; H335-L339 VanDerWaalsContact O-N 3.17Å
336E45.2Very low43.5Very low74 Ų7489.2 Ų89.235%0.34645%0.446SS..Hα-helixtrans-82.9-29.7177-82-169.1-178.900112.8I332 P333 C338 L339 Q340I332-E336 HydrophobicContact CG2-CB 3.4Å; I332-E336 HydrophobicContact CG2-CG 4.48Å; P333-E336 PolarHBondContact O-N 3.18Å; E336-C338 PolarHBondContact O-N 2.99Å; E336-L339 HydrophobicContact CG-CD1 4.35Å; E336-L339 PolarHBondContact O-N 2.95Å; E336-Q340 PolarHBondContact O-N 3.35Å
337T47.3Very low42Very low8 Ų886.2 Ų86.25%0.04943%0.429CS..Hα-helixtrans-58.5-28.8165.159.60000111.2L316 I332 P333 T334L316-T337 HydrophobicContact CD2-CG2 3.89Å; I332-T337 HydrophobicContact CG2-CG2 4.39Å; P333-T337 PolarHBondContact O-N 2.88Å; T334-T337 PolarHBondContact O-OG1 3.37Å
338C37.3Very low40.9Very low13 Ų1382 Ų829%0.08840%0.4CS..Hα-helixtrans-81.4-21.2173.5-67.50000115P227 C230 T334 H335 E336P227-C338 HydrophobicContact CB-CB 4.34Å; P227-C338 WeakPolarHBondContact CB-SG 3.41Å; P227-C338 WeakPolarHBondContact CG-SG 3.37Å; C230-C338 HydrophobicContact CB-CB 4.22Å; C230-C338 WeakPolarHBondContact SG-CB 3.39Å; T334-C338 PolarHBondContact O-SG 2.51Å; H335-C338 VanDerWaalsContact O-CB 3.29Å; H335-C338 WeakPolarHBondContact O-CB 3.24Å; H335-C338 PolarHBondContact O-N 3.29Å; E336-C338 PolarHBondContact O-N 2.99Å
339L33Very low39.6Very low128 Ų12874.1 Ų74.167%0.6736%0.364SS*.Hα-helixtrans-91.6-23.7-179.6-71.8168.1000112.7H335 E336H335-L339 VanDerWaalsContact O-CG 3.3Å; H335-L339 WeakPolarHBondContact O-CG 3.39Å; H335-L339 PolarHBondContact O-N 2.98Å; H335-L339 VanDerWaalsContact O-N 3.17Å; E336-L339 HydrophobicContact CG-CD1 4.35Å; E336-L339 PolarHBondContact O-N 2.95Å
340Q33.1Very low39.2Very low90 Ų9071.7 Ų71.742%0.42135%0.354SS..Hα-helixtrans-82.8-21178.4-70-170.212.700113.8E336 E342E336-Q340 PolarHBondContact O-N 3.35Å; Q340-E342 PolarHBondContact O-N 3.23Å
341E29.7Very low38.8Very low49 Ų4964.5 Ų64.523%0.22932%0.317CS..SBendtrans-80.6104.3161.9-64.1-170.4152.500105.6N236 N311 R343N236-E341 PolarHBondContact ND2-OE1 3.18Å; N311-E341 PolarHBondContact ND2-OE2 3.24Å; E341-R343 PolarHBondContact O-N 3.02Å
342E25.8Very low38.3Very low174 Ų17463 Ų6381%0.81330%0.304SS*.  trans-30.8117.1160.3-75.4179.5150.900106.7Q340 I344Q340-E342 PolarHBondContact O-N 3.23Å; E342-I344 VanDerWaalsContact C-N 3.28Å; E342-I344 VanDerWaalsContact O-CA 3.24Å; E342-I344 WeakPolarHBondContact O-CA 3.26Å; E342-I344 WeakPolarHBondContact O-CG1 3.13Å; E342-I344 PolarHBondContact O-N 3.49Å
343R26.2Very low38Very low229 Ų22963.7 Ų63.786%0.86431%0.314SS*.  trans-27.299174-109.8-172.1-90.5-163.8-10.3106.1E341 P345E341-R343 PolarHBondContact O-N 3.02Å; R343-P345 VanDerWaalsContact C-N 3.28Å; R343-P345 WeakPolarHBondContact O-CD 3.35Å; R343-P345 WeakPolarHBondContact O-CG 3.21Å
344I30.1Very low37.4Very low57 Ų5762.7 Ų62.729%0.29231%0.312SS..  trans-66.498.9-169.3-67174.4000103E342 Q346E342-I344 VanDerWaalsContact C-N 3.28Å; E342-I344 VanDerWaalsContact O-CA 3.24Å; E342-I344 WeakPolarHBondContact O-CA 3.26Å; E342-I344 WeakPolarHBondContact O-CG1 3.13Å; E342-I344 PolarHBondContact O-N 3.49Å; I344-Q346 VanDerWaalsContact CG2-C 3.41Å; I344-Q346 WeakPolarHBondContact CG2-O 3.23Å; I344-Q346 PolarHBondContact O-N 3.23Å
345P28.3Very low36.7Very low84 Ų8466.5 Ų66.555%0.54533%0.325SS..  trans-75.2-13.8-179-1.523.4000107.6R343 L357R343-P345 VanDerWaalsContact C-N 3.28Å; R343-P345 WeakPolarHBondContact O-CD 3.35Å; R343-P345 WeakPolarHBondContact O-CG 3.21Å; P345-L357 HydrophobicContact CB-CD2 4.5Å
346Q28.5Very low35.9Very low145 Ų14564 Ų6468%0.67832%0.318SS*.SBendtrans-116.278.8-170.1-61.5-175.8-0.200108.4I344 D348I344-Q346 VanDerWaalsContact CG2-C 3.41Å; I344-Q346 WeakPolarHBondContact CG2-O 3.23Å; I344-Q346 PolarHBondContact O-N 3.23Å; Q346-D348 PolarHBondContact O-N 3.22Å
347D38.6Very low35.2Very low10 Ų1067 Ų675%0.05334%0.336CS..  trans-40.6129160115.954.2000109.4Q24 R97 V234 G349 E351Q24-D347 PolarHBondContact OE1-O 3.43Å; R97-D347 IonicContact CZ-OD1 3.67Å; R97-D347 IonicContact CZ-OD2 3.64Å; R97-D347 VanDerWaalsContact NE-CG 3.29Å; R97-D347 PolarHBondContact NE-O 2.85Å; R97-D347 IonicContact NE-OD1 3.77Å; R97-D347 IonicContact NE-OD2 3.82Å; R97-D347 PolarHBondContact NE-OD2 2.95Å; R97-D347 PolarHBondContact NH1-O 3.4Å; R97-D347 VanDerWaalsContact NH2-N 3.13Å; R97-D347 PolarHBondContact NH2-O 3.27Å; R97-D347 IonicContact NH2-OD2 2.89Å; R97-D347 PolarHBondContact NH2-OD2 3.05Å; V234-D347 HydrophobicContact CB-CB 4.44Å; V234-D347 HydrophobicContact CG2-CB 3.76Å; D347-G349 PolarHBondContact O-N 3.38Å; D347-E351 PolarHBondContact OD1-N 2.69Å
348D35.5Very low34.4Very low35 Ų3573.7 Ų73.719%0.18737%0.372CS..  trans-85.634.4-157.460.37.8000114.3R14 Q24 Q346R14-D348 IonicContact CZ-OD1 2.62Å; R14-D348 IonicContact CZ-OD2 2.78Å; R14-D348 IonicContact NH1-OD1 3.41Å; R14-D348 PolarHBondContact NH1-OD1 3.19Å; R14-D348 IonicContact NH1-OD2 3.45Å; R14-D348 PolarHBondContact NH1-OD2 2.85Å; R14-D348 IonicContact NH2-OD1 3.3Å; R14-D348 PolarHBondContact NH2-OD1 3.3Å; R14-D348 IonicContact NH2-OD2 3.88Å; Q24-D348 VanDerWaalsContact NE2-C 3.29Å; Q24-D348 PolarHBondContact NE2-O 2.96Å; Q346-D348 PolarHBondContact O-N 3.22Å
349G37.2Very low34.1Very low0 Ų086.3 Ų86.30%043%0.425CS..SBendtrans111.4-9.2161.200000115.2V25 I26 D347V25-G349 CarbonylContact C-O 3.55Å; I26-G349 WeakPolarHBondContact CD1-O 3.24Å; D347-G349 PolarHBondContact O-N 3.38Å
350D40.8Very low34.1Very low1 Ų184.2 Ų84.21%0.00541%0.412CS..SBendtrans-98.7-25.1-180-75.3-29.6000114.3R14 H15 N21 I26 Q27 F89R14-D350 IonicContact CZ-OD2 2.78Å; R14-D350 IonicContact NE-OD2 3.16Å; R14-D350 IonicContact NH2-OD2 3.5Å; R14-D350 PolarHBondContact NH2-OD2 3.4Å; H15-D350 IonicContact CE1-OD2 3.5Å; H15-D350 PolarHBondContact CE1-OD2 3.09Å; H15-D350 IonicContact NE2-OD2 3.3Å; H15-D350 PolarHBondContact NE2-OD2 3.26Å; N21-D350 PolarHBondContact ND2-OD1 2.96Å; N21-D350 PolarHBondContact ND2-OD2 2.81Å; I26-D350 VanDerWaalsContact CD1-C 3.48Å; I26-D350 WeakPolarHBondContact CD1-O 3.38Å; Q27-D350 PolarHBondContact NE2-OD1 3.43Å; F89-D350 WeakPolarHBondContact CZ-O 3.22Å
351E47Very low34.2Very low1 Ų183.9 Ų83.91%0.00541%0.412CS..  trans-154.496.7-151.5-74.9154.5-13000117.5G206 G207 R210 V234 D347 A353G206-E351 VanDerWaalsContact CA-CD 3.47Å; G206-E351 WeakPolarHBondContact CA-OE1 3.43Å; G206-E351 WeakPolarHBondContact CA-OE2 3.47Å; G206-E351 PolarHBondContact N-OE1 3.23Å; G206-E351 VanDerWaalsContact N-OE1 3.08Å; G207-E351 VanDerWaalsContact CA-CG 3.48Å; G207-E351 WeakPolarHBondContact CA-OE2 2.71Å; G207-E351 PolarHBondContact N-OE1 2.97Å; G207-E351 PolarHBondContact N-OE2 3.24Å; R210-E351 IonicContact CZ-OE2 2.64Å; R210-E351 PolarHBondContact NH1-O 3.02Å; V234-E351 WeakPolarHBondContact CG1-OE2 3.49Å; V234-E351 HydrophobicContact CG2-CB 3.7Å; V234-E351 VanDerWaalsContact CG2-OE2 3.32Å; V234-E351 WeakPolarHBondContact CG2-OE2 3.41Å; D347-E351 PolarHBondContact OD1-N 2.69Å; E351-A353 PolarHBondContact O-N 3.11Å
352Y43.3Very low34.5Very low30 Ų3085.8 Ų85.812%0.11842%0.422CS..  trans-44.8127.9169.6-174.4-109.8000113.9V100 Q101 T104 R210 G354 Y355V100-Y352 HydrophobicContact CG1-CG 4.34Å; Q101-Y352 HydrophobicContact CB-CD2 4.24Å; Q101-Y352 HydrophobicContact CB-CE2 4.07Å; Q101-Y352 HydrophobicContact CG-CD2 3.65Å; Q101-Y352 HydrophobicContact CG-CE2 3.83Å; T104-Y352 HydrophobicContact CG2-CD1 3.56Å; T104-Y352 HydrophobicContact CG2-CE1 3.56Å; T104-Y352 HydrophobicContact CG2-CG 4.18Å; T104-Y352 WeakPolarHBondContact OG1-CE1 3.4Å; T104-Y352 WeakPolarHBondContact OG1-CE2 3.47Å; T104-Y352 PolarHBondContact OG1-OH 3.45Å; R210-Y352 PolarHBondContact NH1-O 3.14Å; R210-Y352 PolarHBondContact NH2-O 3.22Å; Y352-G354 VanDerWaalsContact C-N 3.29Å; Y352-G354 VanDerWaalsContact CD1-CA 3.49Å; Y352-G354 PolarHBondContact O-N 3.02Å; Y352-Y355 PolarHBondContact OH-N 3.37Å
353A43.3Very low35Very low43 Ų4380.6 Ų80.636%0.35540%0.399SS..  trans-82.57.1-178.200000114.7E351 Y355E351-A353 PolarHBondContact O-N 3.11Å; A353-Y355 VanDerWaalsContact C-N 3.26Å; A353-Y355 PolarHBondContact O-N 3.47Å
354G37.6Very low35.5Very low24 Ų2471.4 Ų71.425%0.24737%0.37CS..SBendtrans82.6-9.4175.500000115.2Y352Y352-G354 VanDerWaalsContact C-N 3.29Å; Y352-G354 VanDerWaalsContact CD1-CA 3.49Å; Y352-G354 PolarHBondContact O-N 3.02Å
355Y36.5Very low35.9Very low98 Ų9872.3 Ų72.338%0.38438%0.375SS..SBendtrans-139.2140.3-178.9-101.9-93.7000112.3P271 Y352 A353P271-Y355 HydrophobicContact CB-CE2 4.15Å; Y352-Y355 PolarHBondContact OH-N 3.37Å; A353-Y355 VanDerWaalsContact C-N 3.26Å; A353-Y355 PolarHBondContact O-N 3.47Å
356P30.4Very low36.4Very low52 Ų5271.5 Ų71.534%0.33836%0.363SS..  trans-59.2139.9153.2-4.218.4000108E105 N358E105-P356 HydrophobicContact CG-CG 4.18Å; P356-N358 PolarHBondContact O-N 3.22Å
357L29.7Very low37Very low135 Ų13565.8 Ų65.871%0.70734%0.339SS*.  trans-45.9120.3165.1-70.6161.3000107.3P345 K359P345-L357 HydrophobicContact CB-CD2 4.5Å; L357-K359 PolarHBondContact O-N 3.2Å
358N31.5Very low36.9Very low150 Ų15070.5 Ų70.580%0.80236%0.363SS*.  trans-54115163.8-83.3-20.6000105.6P356P356-N358 PolarHBondContact O-N 3.22Å
359K29.9Very low37Very low277 Ų27773.7 Ų73.7100%1.20438%0.379SS*.  trans-57.30174.9-80.2-174.8174-178.20110.8L357L357-K359 PolarHBondContact O-N 3.2Å

Retrieved 359 of 359 residues in 238.2 ms (Link to these results)

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