A0A3Q0KPT5_SCHMA Loading...

MRP-L46 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPT5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 251 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
1M41.2Very low56Low211 Ų211110.9 Ų110.9100%1.03957%0.57SS**  017.90-67.2-159.5-147.200114
2S47.8Very low57.6Low82 Ų82114.7 Ų114.757%0.57358%0.579SS**  trans-101.3-16.3-173.267.30000116.4S4 L5 V6S2-S4 PolarHBondContact O-N 3.46Å; S2-L5 PolarHBondContact O-N 3.06Å; S2-V6 WeakPolarHBondContact O-CG2 3.49Å; S2-V6 PolarHBondContact O-N 3.14Å
3R47.5Very low59.6Low224 Ų224113.6 Ų113.685%0.84558%0.576SS**Hα-helixtrans-61-36.3-170.5-79.5-173.5174.9179.1-1.6115
4S51.5Low61.5Low70 Ų70111 Ų11149%0.4956%0.556SS.*Hα-helixtrans-74.3-30.5-17765.60000113.5S2 L8S2-S4 PolarHBondContact O-N 3.46Å; S4-L8 WeakPolarHBondContact O-CG 3.36Å
5L52.4Low63.2Low111 Ų111108.3 Ų108.358%0.58154%0.544SS*.Hα-helixtrans-76.3-28.5178.4-69.4172.8000111.6S2 V7 L8S2-L5 PolarHBondContact O-N 3.06Å; L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 3.24Å; L5-L8 HydrophobicContact CD2-CD1 4.42Å; L5-L8 PolarHBondContact O-N 3.45Å
6V53.1Low64.9Low85 Ų85105.9 Ų105.952%0.51553%0.532SS..Hα-helixtrans-63.4-40.5176.7176.60000110.8S2 L8 K9S2-V6 WeakPolarHBondContact O-CG2 3.49Å; S2-V6 PolarHBondContact O-N 3.14Å; V6-L8 PolarHBondContact O-N 3.19Å; V6-K9 PolarHBondContact O-N 3.27Å
7V57.8Low66.5Low94 Ų94101.8 Ų101.857%0.5751%0.51SS*.Hα-helixtrans-67.4-23.2179.3-179.20000112.9L5 K9L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 3.24Å; V7-K9 VanDerWaalsContact C-N 3.35Å
8L62.5Low67.9Low30 Ų3096.2 Ų96.216%0.15748%0.482CS..G310 helixtrans-84.8-7.9-178.2-61.3176.4000113.6S4 L5 V6 D10 I11 W14 L183 A185S4-L8 WeakPolarHBondContact O-CG 3.36Å; L5-L8 HydrophobicContact CD2-CD1 4.42Å; L5-L8 PolarHBondContact O-N 3.45Å; V6-L8 PolarHBondContact O-N 3.19Å; L8-D10 VanDerWaalsContact C-N 3.31Å; L8-I11 HydrophobicContact CB-CD1 4.37Å; L8-I11 HydrophobicContact CD2-CD1 3.56Å; L8-W14 HydrophobicContact CB-CH2 4.39Å; L8-W14 HydrophobicContact CD2-CH2 4.16Å; L8-L183 HydrophobicContact CD1-CB 3.67Å; L8-L183 HydrophobicContact CD1-CD1 4.05Å; L8-A185 HydrophobicContact CD2-CB 4.44Å
9K62.9Low69.1Low171 Ų17191.1 Ų91.174%0.74346%0.457SS*.G310 helixtrans-72.1-24.8-178.4-72.3-172.8174.4-172.60113.4V6 V7V6-K9 PolarHBondContact O-N 3.27Å; V7-K9 VanDerWaalsContact C-N 3.35Å
10D66.7Low70.3Confident121 Ų12186.6 Ų86.665%0.64743%0.434SS*.G310 helixtrans-91.71.9-173.7-57.6-32.8000113.3L8 K12L8-D10 VanDerWaalsContact C-N 3.31Å; D10-K12 PolarHBondContact O-N 3.16Å
11I72.3Confident71.4Confident21 Ų2182.5 Ų82.511%0.10841%0.414CS..  trans-81.5117.4-176.8-63.4172.7000110.4L8 N13 W14 A185L8-I11 HydrophobicContact CB-CD1 4.37Å; L8-I11 HydrophobicContact CD2-CD1 3.56Å; I11-N13 WeakPolarHBondContact CG2-O 3.45Å; I11-W14 HydrophobicContact CB-CH2 4.37Å; I11-W14 HydrophobicContact CB-CZ2 3.8Å; I11-W14 HydrophobicContact CD1-CH2 3.63Å; I11-W14 HydrophobicContact CD1-CZ2 3.94Å; I11-W14 HydrophobicContact CD1-CZ3 4.13Å; I11-W14 HydrophobicContact CG1-CZ2 4.45Å; I11-W14 HydrophobicContact CG2-CD2 3.84Å; I11-W14 HydrophobicContact CG2-CE3 4.25Å; I11-W14 HydrophobicContact CG2-CG 4.36Å; I11-W14 HydrophobicContact CG2-CH2 4.28Å; I11-W14 HydrophobicContact CG2-CZ2 3.81Å; I11-W14 HydrophobicContact CG2-CZ3 4.47Å; I11-A185 HydrophobicContact CD1-CB 4.17Å
12K75.5Confident73.8Confident156 Ų15672.5 Ų72.568%0.67836%0.364SS*.  trans-86.8-34.9178.1-66.8175.1-170.6140.50113D10 D191D10-K12 PolarHBondContact O-N 3.16Å; K12-D191 PolarHBondContact N-O 3.25Å; K12-D191 VanDerWaalsContact N-O 3.12Å; K12-D191 IonicContact NZ-OD2 2.85Å; K12-D191 PolarHBondContact NZ-OD2 3.41Å
13N84.1Confident75.9Confident101 Ų10169.2 Ų69.254%0.5434%0.339SS..EExtended strand (participates in β ladder)trans-117.1125.6-172.9-72-23.2000111.2I11 D191 T192 G193I11-N13 WeakPolarHBondContact CG2-O 3.45Å; N13-D191 PolarHBondContact N-O 3.38Å; N13-D191 VanDerWaalsContact N-O 3.11Å; N13-T192 HydrophobicContact CB-CG2 3.65Å; N13-T192 CarbonylContact O-C 3.59Å; N13-T192 WeakPolarHBondContact O-CA 3.37Å; N13-G193 PolarHBondContact O-N 3.22Å
14W85.8Confident78Confident77 Ų7758.6 Ų58.629%0.29230%0.299SS..EExtended strand (participates in β ladder)trans-115117.3-179.3-71100.7000111.7L8 I11 L183 G193 Q195L8-W14 HydrophobicContact CB-CH2 4.39Å; L8-W14 HydrophobicContact CD2-CH2 4.16Å; I11-W14 HydrophobicContact CB-CH2 4.37Å; I11-W14 HydrophobicContact CB-CZ2 3.8Å; I11-W14 HydrophobicContact CD1-CH2 3.63Å; I11-W14 HydrophobicContact CD1-CZ2 3.94Å; I11-W14 HydrophobicContact CD1-CZ3 4.13Å; I11-W14 HydrophobicContact CG1-CZ2 4.45Å; I11-W14 HydrophobicContact CG2-CD2 3.84Å; I11-W14 HydrophobicContact CG2-CE3 4.25Å; I11-W14 HydrophobicContact CG2-CG 4.36Å; I11-W14 HydrophobicContact CG2-CH2 4.28Å; I11-W14 HydrophobicContact CG2-CZ2 3.81Å; I11-W14 HydrophobicContact CG2-CZ3 4.47Å; W14-L183 HydrophobicContact CH2-CB 4.47Å; W14-L183 HydrophobicContact CH2-CD2 4.32Å; W14-L183 HydrophobicContact CZ3-CB 4.44Å; W14-L183 HydrophobicContact CZ3-CD2 4.1Å; W14-G193 CarbonylContact C-O 3.57Å; W14-G193 WeakPolarHBondContact CA-O 3.41Å; W14-G193 VanDerWaalsContact CE3-C 3.46Å; W14-Q195 HydrophobicContact CB-CG 4.12Å; W14-Q195 HydrophobicContact CD2-CG 3.71Å; W14-Q195 HydrophobicContact CE3-CG 3.19Å; W14-Q195 HydrophobicContact CG-CG 4.12Å; W14-Q195 VanDerWaalsContact CG-NE2 3.32Å; W14-Q195 HydrophobicContact CZ3-CG 3.76Å
15N87.7Confident79.9Confident70 Ų7057 Ų5737%0.37429%0.287SS..EExtended strand (participates in β ladder)trans-81.1120.5167.9-64.4-30.1000108.9F17 G193 T194 Q195N15-F17 HydrophobicContact CB-CD2 4.29Å; N15-F17 HydrophobicContact CB-CE2 3.66Å; N15-G193 PolarHBondContact N-O 3.37Å; N15-T194 CarbonylContact O-C 3.58Å; N15-T194 WeakPolarHBondContact O-CA 3.5Å; N15-Q195 PolarHBondContact O-N 2.68Å
16I90.4Very high81.8Confident70 Ų7053.6 Ų53.636%0.35928%0.275SS..EExtended strand (participates in β ladder)trans-97.5131.4-177.8-52.6168.9000109.9I147 L153 Y197I16-I147 HydrophobicContact CB-CD1 3.76Å; I16-I147 HydrophobicContact CB-CG1 4.25Å; I16-I147 HydrophobicContact CG2-CD1 3.27Å; I16-I147 HydrophobicContact CG2-CG1 3.97Å; I16-I147 PolarHBondContact O-N 3.38Å; I16-L153 HydrophobicContact CG2-CD2 4.16Å; I16-Y197 HydrophobicContact CG2-CD2 3.72Å; I16-Y197 HydrophobicContact CG2-CE2 3.62Å
17F90.9Very high83.6Confident37 Ų3751.6 Ų51.616%0.16226%0.263CS..EExtended strand (participates in β ladder)trans-127.3146.4177.8-69.9-104.9000110.4N15 V136 I144 A145 P146 T194 Q195 I196 Y197N15-F17 HydrophobicContact CB-CD2 4.29Å; N15-F17 HydrophobicContact CB-CE2 3.66Å; F17-V136 HydrophobicContact CZ-CG2 4.36Å; F17-I144 HydrophobicContact CB-CG2 3.58Å; F17-I144 HydrophobicContact CD1-CG2 3.72Å; F17-I144 HydrophobicContact CG-CG2 4.01Å; F17-A145 CarbonylContact C-O 3.53Å; F17-A145 VanDerWaalsContact CA-O 3.29Å; F17-A145 WeakPolarHBondContact CA-O 3.45Å; F17-A145 VanDerWaalsContact CD1-C 3.47Å; F17-P146 VanDerWaalsContact CD1-CA 3.42Å; F17-P146 HydrophobicContact CD1-CB 3.9Å; F17-P146 VanDerWaalsContact CD1-N 3.29Å; F17-P146 HydrophobicContact CE1-CB 3.67Å; F17-P146 HydrophobicContact CE1-CG 4.24Å; F17-P146 HydrophobicContact CZ-CB 4.22Å; F17-T194 HydrophobicContact CD2-CG2 3.45Å; F17-T194 VanDerWaalsContact CD2-CG2 3.45Å; F17-T194 HydrophobicContact CE2-CG2 3.6Å; F17-T194 HydrophobicContact CG-CG2 4.36Å; F17-Q195 PolarHBondContact N-O 3.14Å; F17-I196 HydrophobicContact CB-CG1 3.73Å; F17-I196 HydrophobicContact CG-CG1 4.35Å; F17-I196 WeakPolarHBondContact O-CA 3.41Å; F17-Y197 PolarHBondContact O-N 3.18Å
18S92.3Very high85.3Confident0 Ų049.2 Ų49.20%025%0.246CC..EExtended strand (participates in β ladder)trans-102.7131.6169.7-167.60000109.2I144 A145 L153 I160 F199S18-I144 CarbonylContact O-C 3.58Å; S18-I144 WeakPolarHBondContact O-CA 3.43Å; S18-A145 PolarHBondContact N-O 2.92Å; S18-A145 PolarHBondContact O-N 3.27Å; S18-L153 PolarHBondContact OG-O 2.84Å; S18-I160 WeakPolarHBondContact O-CD1 3.17Å; S18-F199 WeakPolarHBondContact OG-CE2 3.33Å
19G91.7Very high86.7Confident0 Ų051.1 Ų51.10%027%0.266CS..EExtended strand (participates in β ladder)trans-119.8152179.300000111.8P143 Y197 F198 F199G19-P143 CarbonylContact C-O 3.56Å; G19-P143 VanDerWaalsContact CA-O 3.26Å; G19-P143 WeakPolarHBondContact CA-O 3.24Å; G19-Y197 PolarHBondContact N-O 3.31Å; G19-F198 CarbonylContact O-C 3.56Å; G19-F198 WeakPolarHBondContact O-CA 3.3Å; G19-F199 PolarHBondContact O-N 2.9Å
20L92.5Very high88Confident0 Ų047.4 Ų47.40%026%0.26CS..EExtended strand (participates in β ladder)trans-116.1130.9177.1-68.4-174.1000111.5I22 L142 P143 A157 I160 A161 I173 F199 V201L20-I22 HydrophobicContact CB-CD1 4.48Å; L20-I22 HydrophobicContact CB-CG1 4.21Å; L20-I22 HydrophobicContact CD1-CD1 4.35Å; L20-L142 WeakPolarHBondContact O-CB 3.14Å; L20-P143 HydrophobicContact CB-CB 4.49Å; L20-P143 PolarHBondContact N-O 2.96Å; L20-P143 WeakPolarHBondContact O-CD 3.47Å; L20-A157 WeakPolarHBondContact CD1-O 3.37Å; L20-A157 HydrophobicContact CD2-CB 3.43Å; L20-A157 VanDerWaalsContact CD2-CB 3.43Å; L20-A157 HydrophobicContact CG-CB 4.43Å; L20-I160 HydrophobicContact CD1-CB 3.66Å; L20-I160 HydrophobicContact CD1-CG2 3.56Å; L20-I160 HydrophobicContact CG-CB 4.16Å; L20-I160 HydrophobicContact CG-CD1 4.4Å; L20-I160 HydrophobicContact CG-CG2 4.11Å; L20-A161 HydrophobicContact CD1-CB 3.75Å; L20-I173 HydrophobicContact CD2-CD1 4.38Å; L20-F199 HydrophobicContact CD2-CB 4.11Å; L20-V201 HydrophobicContact CB-CG2 4.27Å; L20-V201 HydrophobicContact CD1-CG2 4.26Å; L20-V201 HydrophobicContact CD2-CG2 3.58Å; L20-V201 HydrophobicContact CG-CG2 4.27Å
21C93Very high89.1Confident2 Ų248.2 Ų48.21%0.01426%0.26CS..EExtended strand (participates in β ladder)trans-103.195.6165-175.90000108.7R23 L142 F199 V201 F247C21-R23 PolarHBondContact SG-NE 2.89Å; C21-L142 HydrophobicContact CB-CD1 3.88Å; C21-F199 PolarHBondContact N-O 3Å; C21-V201 PolarHBondContact O-N 2.76Å; C21-F247 HydrophobicContact CB-CE2 3.47Å; C21-F247 VanDerWaalsContact CB-CE2 3.47Å; C21-F247 HydrophobicContact CB-CZ 4.12Å; C21-F247 VanDerWaalsContact SG-CE2 3.56Å
22I92.5Very high90.1Very high0 Ų051.7 Ų51.70%028%0.278CS..EExtended strand (participates in β ladder)trans-84.5125.6178.7-61161000108.6L20 Y127 L128 P143 L164 L165 V201 V203 W225L20-I22 HydrophobicContact CB-CD1 4.48Å; L20-I22 HydrophobicContact CB-CG1 4.21Å; L20-I22 HydrophobicContact CD1-CD1 4.35Å; I22-Y127 WeakPolarHBondContact O-CA 3.4Å; I22-L128 HydrophobicContact CB-CB 3.95Å; I22-L128 HydrophobicContact CB-CD2 4.33Å; I22-L128 HydrophobicContact CD1-CD2 3.73Å; I22-L128 HydrophobicContact CG2-CB 4.38Å; I22-L128 PolarHBondContact O-N 2.96Å; I22-P143 HydrophobicContact CD1-CG 4.29Å; I22-L164 HydrophobicContact CD1-CD2 3.77Å; I22-L165 HydrophobicContact CD1-CD1 3.92Å; I22-L165 HydrophobicContact CD1-CD2 4.28Å; I22-L165 HydrophobicContact CD1-CG 4.18Å; I22-L165 HydrophobicContact CG1-CD1 4.24Å; I22-L165 HydrophobicContact CG2-CD1 4.3Å; I22-L165 HydrophobicContact CG2-CD2 4.32Å; I22-V201 CarbonylContact C-O 3.59Å; I22-V201 WeakPolarHBondContact CA-O 3.24Å; I22-V201 HydrophobicContact CG1-CB 3.99Å; I22-V201 HydrophobicContact CG1-CG1 4.44Å; I22-V201 HydrophobicContact CG1-CG2 4.27Å; I22-V203 HydrophobicContact CG2-CG1 3.57Å; I22-W225 HydrophobicContact CG2-CH2 3.77Å; I22-W225 HydrophobicContact CG2-CZ3 4.25Å
23R92.1Very high91Very high14 Ų1450.6 Ų50.65%0.05327%0.273CS..EExtended strand (participates in β ladder)trans-124.1130-173.5-59.5-178.6-173.5-162.2-11.2110.9C21 L126 Y127 N200 V201 Y202 V203 F247C21-R23 PolarHBondContact SG-NE 2.89Å; R23-L126 CarbonylContact C-O 3.59Å; R23-L126 VanDerWaalsContact CA-O 3.31Å; R23-L126 WeakPolarHBondContact CA-O 3.35Å; R23-Y127 HydrophobicContact CG-CD1 3.76Å; R23-Y127 HydrophobicContact CG-CE1 3.71Å; R23-N200 VanDerWaalsContact CZ-OD1 3.27Å; R23-N200 PolarHBondContact NE-OD1 3.41Å; R23-N200 PolarHBondContact NH2-OD1 3.07Å; R23-V201 PolarHBondContact N-O 2.86Å; R23-Y202 HydrophobicContact CB-CD1 4.12Å; R23-Y202 HydrophobicContact CB-CE1 4.29Å; R23-Y202 WeakPolarHBondContact O-CA 3.47Å; R23-V203 WeakPolarHBondContact O-CG2 3.49Å; R23-V203 PolarHBondContact O-N 3.35Å; R23-F247 PolarHBondContact NH1-O 2.96Å; R23-F247 PolarHBondContact NH2-O 3.19Å
24R91.6Very high91.6Very high1 Ų150.6 Ų50.60%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-94.6117.2166.4-166.6-89.9-61.1132.9-12107.4A118 R120 V121 K124 P125 L126 V203 W225R24-A118 HydrophobicContact CG-CB 4.18Å; R24-A118 PolarHBondContact NE-O 2.86Å; R24-A118 PolarHBondContact NH2-O 2.74Å; R24-R120 PolarHBondContact NH2-O 2.9Å; R24-V121 PolarHBondContact NH2-O 3.36Å; R24-K124 PolarHBondContact NH1-O 2.95Å; R24-K124 PolarHBondContact NH2-O 3.29Å; R24-P125 VanDerWaalsContact O-CA 3.24Å; R24-P125 WeakPolarHBondContact O-CA 3.27Å; R24-L126 HydrophobicContact CB-CB 4.35Å; R24-L126 PolarHBondContact N-O 2.9Å; R24-L126 PolarHBondContact O-N 3.37Å; R24-L126 VanDerWaalsContact O-N 3.07Å; R24-V203 HydrophobicContact CB-CG2 3.8Å; R24-V203 HydrophobicContact CG-CG2 4.02Å; R24-W225 HydrophobicContact CB-CE3 4.39Å; R24-W225 HydrophobicContact CB-CZ3 4Å
25P91.4Very high92.2Very high37 Ų3752.6 Ų52.624%0.2430%0.295CS..PPolyproline II helixtrans-65.5161.9-178.8-9.220.9000111.7V27 Y202 V203 R205P25-V27 PolarHBondContact O-N 3Å; P25-Y202 HydrophobicContact CG-CD1 4.43Å; P25-V203 WeakPolarHBondContact CD-O 3.19Å; P25-R205 HydrophobicContact CB-CG 3.73Å; P25-R205 HydrophobicContact CG-CG 3.6Å
26A91.9Very high92.6Very high39 Ų3952.8 Ų52.832%0.32229%0.293SS..PPolyproline II helixtrans-60.4136.2171.100000110.4D123 R205A26-D123 WeakPolarHBondContact CB-O 3.49Å; A26-R205 WeakPolarHBondContact O-CD 3.11Å
27V91.3Very high93Very high42 Ų4254.8 Ų54.826%0.25530%0.3SS..SBendtrans-94.3-39179.4-176.40000109.9P25 W119 L122 R205P25-V27 PolarHBondContact O-N 3Å; V27-W119 HydrophobicContact CG1-CH2 4.19Å; V27-W119 HydrophobicContact CG1-CZ3 4.43Å; V27-W119 HydrophobicContact CG2-CZ3 4.4Å; V27-L122 HydrophobicContact CB-CB 4.27Å; V27-L122 HydrophobicContact CB-CD2 4.23Å; V27-L122 HydrophobicContact CG2-CD2 4.04Å; V27-L122 PolarHBondContact N-O 3.16Å; V27-R205 HydrophobicContact CG2-CB 4.23Å; V27-R205 VanDerWaalsContact CG2-O 3.31Å; V27-R205 WeakPolarHBondContact CG2-O 3.11Å
28I91.7Very high93.3Very high44 Ų4459.2 Ų59.223%0.22632%0.321CS..SBendtrans-112.4148.1-178-58179.4000109L122I28-L122 HydrophobicContact CB-CB 4.26Å; I28-L122 HydrophobicContact CD1-CB 3.76Å; I28-L122 HydrophobicContact CD1-CD1 3.54Å; I28-L122 HydrophobicContact CD1-CG 4.31Å; I28-L122 HydrophobicContact CG1-CB 3.85Å; I28-L122 HydrophobicContact CG1-CD1 4.19Å; I28-L122 PolarHBondContact N-O 3.23Å
29A91.7Very high93.5Very high70 Ų7062.5 Ų62.558%0.57934%0.34SS*.PPolyproline II helixtrans-62.4141.9171.800000111.1R105A29-R105 PolarHBondContact O-NH2 3.44Å
30P90.4Very high93.8Very high93 Ų9364.7 Ų64.760%0.60436%0.359SS*.PPolyproline II helixtrans-62155.7175.728.1-35.1000111.2
31E90.7Very high94Very high138 Ų13869.7 Ų69.765%0.64539%0.385SS*.PPolyproline II helixtrans-73.2134.4176.4-65-171.4172.400111K33 R105E31-K33 PolarHBondContact O-N 3.43Å; E31-R105 IonicContact OE1-NE 3.27Å; E31-R105 PolarHBondContact OE1-NE 2.9Å
32L92.6Very high94.3Very high94 Ų9474.6 Ų74.649%0.49241%0.411SS..PPolyproline II helixtrans-64.2131.9176.7-63.8176.1000110.3E36 K37L32-E36 WeakPolarHBondContact CA-OE2 3.44Å; L32-E36 HydrophobicContact CB-CB 4.18Å; L32-E36 HydrophobicContact CD2-CB 4.19Å; L32-K37 HydrophobicContact CB-CG 3.74Å; L32-K37 HydrophobicContact CD1-CG 4.42Å; L32-K37 VanDerWaalsContact O-CE 3.31Å; L32-K37 WeakPolarHBondContact O-CE 3.3Å
33K95.3Very high94.5Very high133 Ų13379.7 Ų79.758%0.57844%0.438SS*.PPolyproline II helixtrans-63.8159.1171.5-63.5175.2-164134.30110.4E31 L35 E36 K37E31-K33 PolarHBondContact O-N 3.43Å; K33-L35 PolarHBondContact O-N 2.77Å; K33-L35 VanDerWaalsContact O-N 3.17Å; K33-E36 HydrophobicContact CB-CB 4.41Å; K33-E36 HydrophobicContact CB-CG 4.14Å; K33-E36 WeakPolarHBondContact CD-OE1 3.5Å; K33-E36 PolarHBondContact N-OE2 3.47Å; K33-E36 IonicContact NZ-OE1 3.13Å; K33-E36 PolarHBondContact NZ-OE1 3Å; K33-E36 VanDerWaalsContact NZ-OE1 3.13Å; K33-E36 WeakPolarHBondContact O-CB 3.29Å; K33-E36 PolarHBondContact O-N 3.08Å; K33-K37 PolarHBondContact O-N 3.43Å
34P97.1Very high94.8Very high102 Ų10280.9 Ų80.966%0.66245%0.454SS*.Hα-helixtrans-54-39.4179.3-27.935.5000113.9K37 Q38P34-K37 PolarHBondContact O-N 3.23Å; P34-Q38 WeakPolarHBondContact O-CG 3.48Å; P34-Q38 PolarHBondContact O-N 2.96Å; P34-Q38 VanDerWaalsContact O-N 3.16Å
35L97.5Very high95.1Very high119 Ų11987.1 Ų87.162%0.62348%0.481SS*.Hα-helixtrans-67.5-42.2175.7-17964.5000112.3K33 K37 Q38 V39K33-L35 PolarHBondContact O-N 2.77Å; K33-L35 VanDerWaalsContact O-N 3.17Å; L35-K37 VanDerWaalsContact C-N 3.27Å; L35-K37 PolarHBondContact O-N 3Å; L35-Q38 PolarHBondContact O-N 3.48Å; L35-V39 WeakPolarHBondContact O-CG2 3.39Å; L35-V39 PolarHBondContact O-N 2.9Å
36E96.9Very high95.4Very high73 Ų7387.4 Ų87.434%0.34148%0.482SS..Hα-helixtrans-64.1-35.6178.8-66.8162.5-175.200110.8L32 K33 V39 A40L32-E36 WeakPolarHBondContact CA-OE2 3.44Å; L32-E36 HydrophobicContact CB-CB 4.18Å; L32-E36 HydrophobicContact CD2-CB 4.19Å; K33-E36 HydrophobicContact CB-CB 4.41Å; K33-E36 HydrophobicContact CB-CG 4.14Å; K33-E36 WeakPolarHBondContact CD-OE1 3.5Å; K33-E36 PolarHBondContact N-OE2 3.47Å; K33-E36 IonicContact NZ-OE1 3.13Å; K33-E36 PolarHBondContact NZ-OE1 3Å; K33-E36 VanDerWaalsContact NZ-OE1 3.13Å; K33-E36 WeakPolarHBondContact O-CB 3.29Å; K33-E36 PolarHBondContact O-N 3.08Å; E36-V39 PolarHBondContact O-N 2.66Å; E36-A40 WeakPolarHBondContact O-CB 3.33Å; E36-A40 PolarHBondContact O-N 3.36Å
37K97.2Very high95.7Very high113 Ų11392.3 Ų92.349%0.49150%0.498SS..Hα-helixtrans-62.7-48.1171.7-67.3-177.7-179.6-178.70112.1L32 K33 P34 L35 V39 A40 D41L32-K37 HydrophobicContact CB-CG 3.74Å; L32-K37 HydrophobicContact CD1-CG 4.42Å; L32-K37 VanDerWaalsContact O-CE 3.31Å; L32-K37 WeakPolarHBondContact O-CE 3.3Å; K33-K37 PolarHBondContact O-N 3.43Å; P34-K37 PolarHBondContact O-N 3.23Å; L35-K37 VanDerWaalsContact C-N 3.27Å; L35-K37 PolarHBondContact O-N 3Å; K37-V39 VanDerWaalsContact C-N 3.3Å; K37-V39 PolarHBondContact O-N 3.23Å; K37-A40 PolarHBondContact O-N 3.41Å; K37-D41 VanDerWaalsContact O-CG 3.24Å; K37-D41 PolarHBondContact O-N 3.21Å
38Q97.8Very high95.9Very high129 Ų12997 Ų9760%0.60352%0.516SS*.Hα-helixtrans-59.7-41177.3-70.7173.9-5.600112.3P34 L35 L42P34-Q38 WeakPolarHBondContact O-CG 3.48Å; P34-Q38 PolarHBondContact O-N 2.96Å; P34-Q38 VanDerWaalsContact O-N 3.16Å; L35-Q38 PolarHBondContact O-N 3.48Å; Q38-L42 WeakPolarHBondContact O-CB 3.42Å; Q38-L42 PolarHBondContact O-N 3.2Å
39V97.9Very high96.1Very high69 Ų69102.3 Ų102.342%0.41854%0.539SS..Hα-helixtrans-68.4-41.3176.7173.80000110.9L35 E36 K37 D41 L42 L43L35-V39 WeakPolarHBondContact O-CG2 3.39Å; L35-V39 PolarHBondContact O-N 2.9Å; E36-V39 PolarHBondContact O-N 2.66Å; K37-V39 VanDerWaalsContact C-N 3.3Å; K37-V39 PolarHBondContact O-N 3.23Å; V39-D41 VanDerWaalsContact C-N 3.35Å; V39-D41 PolarHBondContact O-N 3.25Å; V39-L42 PolarHBondContact O-N 3.05Å; V39-L43 HydrophobicContact CG1-CD1 3.97Å; V39-L43 HydrophobicContact CG1-CG 4.28Å; V39-L43 WeakPolarHBondContact O-CB 3.23Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.37Å; V39-L43 PolarHBondContact O-N 2.71Å
40A97.3Very high96.3Very high46 Ų46108.8 Ų108.838%0.3855%0.549SS..Hα-helixtrans-60.3-44.4175.400000111.6E36 K37 L42 L43 G44E36-A40 WeakPolarHBondContact O-CB 3.33Å; E36-A40 PolarHBondContact O-N 3.36Å; K37-A40 PolarHBondContact O-N 3.41Å; A40-L42 VanDerWaalsContact C-N 3.35Å; A40-L42 PolarHBondContact O-N 3.02Å; A40-L43 PolarHBondContact O-N 3.42Å; A40-G44 PolarHBondContact O-N 2.93Å
41D97.3Very high96.6Very high105 Ų105107.2 Ų107.256%0.56154%0.54SS*.Hα-helixtrans-63.4-40.8176.6-65.2-19.5000111.8K37 V39 K45K37-D41 VanDerWaalsContact O-CG 3.24Å; K37-D41 PolarHBondContact O-N 3.21Å; V39-D41 VanDerWaalsContact C-N 3.35Å; V39-D41 PolarHBondContact O-N 3.25Å; D41-K45 WeakPolarHBondContact O-CG 3.49Å; D41-K45 PolarHBondContact O-N 3.37Å; D41-K45 VanDerWaalsContact O-N 3.1Å
42L97.7Very high96.8Very high105 Ų105109.1 Ų109.155%0.5555%0.549SS..Hα-helixtrans-63.7-46.4175.5178.565.3000111.2Q38 V39 A40 G44 K45 V46Q38-L42 WeakPolarHBondContact O-CB 3.42Å; Q38-L42 PolarHBondContact O-N 3.2Å; V39-L42 PolarHBondContact O-N 3.05Å; A40-L42 VanDerWaalsContact C-N 3.35Å; A40-L42 PolarHBondContact O-N 3.02Å; L42-G44 VanDerWaalsContact C-N 3.34Å; L42-G44 PolarHBondContact O-N 3.46Å; L42-K45 PolarHBondContact O-N 3Å; L42-V46 HydrophobicContact CD1-CG2 4.43Å; L42-V46 WeakPolarHBondContact O-CG2 3.47Å; L42-V46 PolarHBondContact O-N 2.79Å
43L97.9Very high96.9Very high108 Ų108108.9 Ų108.957%0.56555%0.548SS*.Hα-helixtrans-63.1-40.6178.7-72.8174.6000111.5V39 A40 K45 V46 E47V39-L43 HydrophobicContact CG1-CD1 3.97Å; V39-L43 HydrophobicContact CG1-CG 4.28Å; V39-L43 WeakPolarHBondContact O-CB 3.23Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.37Å; V39-L43 PolarHBondContact O-N 2.71Å; A40-L43 PolarHBondContact O-N 3.42Å; L43-K45 VanDerWaalsContact C-N 3.34Å; L43-K45 PolarHBondContact O-N 2.95Å; L43-V46 PolarHBondContact O-N 2.91Å; L43-E47 WeakPolarHBondContact O-CB 3.42Å; L43-E47 PolarHBondContact O-N 3.16Å
44G97.4Very high96.9Very high38 Ų38105.1 Ų105.139%0.39254%0.538SS..Hα-helixtrans-61.8-38.5174.800000113.1A40 L42 F48A40-G44 PolarHBondContact O-N 2.93Å; L42-G44 VanDerWaalsContact C-N 3.34Å; L42-G44 PolarHBondContact O-N 3.46Å; G44-F48 WeakPolarHBondContact O-CB 3.4Å; G44-F48 PolarHBondContact O-N 3.48Å
45K97.7Very high96.8Very high132 Ų132104.3 Ų104.357%0.57454%0.54SS*.Hα-helixtrans-66.5-45.8174.1-71.7172.4-176.2177.70112.3D41 L42 L43 E47 F48 E49D41-K45 WeakPolarHBondContact O-CG 3.49Å; D41-K45 PolarHBondContact O-N 3.37Å; D41-K45 VanDerWaalsContact O-N 3.1Å; L42-K45 PolarHBondContact O-N 3Å; L43-K45 VanDerWaalsContact C-N 3.34Å; L43-K45 PolarHBondContact O-N 2.95Å; K45-E47 VanDerWaalsContact C-N 3.29Å; K45-E47 PolarHBondContact O-N 3.08Å; K45-F48 PolarHBondContact O-N 2.78Å; K45-E49 WeakPolarHBondContact O-CG 3.21Å; K45-E49 PolarHBondContact O-N 2.81Å
46V97.9Very high96.7Very high43 Ų43101 Ų10126%0.26152%0.521SS..Hα-helixtrans-63.2-38.9178.3171.70000110.9L42 L43 R50L42-V46 HydrophobicContact CD1-CG2 4.43Å; L42-V46 WeakPolarHBondContact O-CG2 3.47Å; L42-V46 PolarHBondContact O-N 2.79Å; L43-V46 PolarHBondContact O-N 2.91Å; V46-R50 WeakPolarHBondContact O-CB 3.4Å; V46-R50 VanDerWaalsContact O-CG 3.28Å; V46-R50 WeakPolarHBondContact O-CG 3.21Å; V46-R50 PolarHBondContact O-N 3.2Å; V46-R50 VanDerWaalsContact O-N 3.12Å
47E97.7Very high96.6Very high143 Ų143100.4 Ų100.467%0.66852%0.518SS*.Hα-helixtrans-61.9-48.9174-177.6175.5-174.300110.9L43 K45 E49 R50 S51L43-E47 WeakPolarHBondContact O-CB 3.42Å; L43-E47 PolarHBondContact O-N 3.16Å; K45-E47 VanDerWaalsContact C-N 3.29Å; K45-E47 PolarHBondContact O-N 3.08Å; E47-E49 PolarHBondContact O-N 3.25Å; E47-R50 CarbonylContact O-C 3.56Å; E47-R50 PolarHBondContact O-N 3.37Å; E47-S51 VanDerWaalsContact O-CB 3.28Å; E47-S51 WeakPolarHBondContact O-CB 3.25Å; E47-S51 PolarHBondContact O-N 2.9Å
48F95.9Very high96.4Very high140 Ų14099.1 Ų99.161%0.61452%0.516SS*.Hα-helixtrans-59-47.9177.7-177.9-102.2000112.3G44 K45 R50 S51G44-F48 WeakPolarHBondContact O-CB 3.4Å; G44-F48 PolarHBondContact O-N 3.48Å; K45-F48 PolarHBondContact O-N 2.78Å; F48-R50 VanDerWaalsContact C-N 3.25Å; F48-R50 PolarHBondContact O-N 3.21Å; F48-S51 PolarHBondContact O-N 3.44Å; F48-S51 VanDerWaalsContact O-N 3.16Å; F48-S51 PolarHBondContact O-OG 3.39Å
49E96.6Very high96.2Very high155 Ų15597.4 Ų97.472%0.72450%0.504SS*.Hα-helixtrans-62.7-30.8179-72.6173.2-173.700113.4K45 E47K45-E49 WeakPolarHBondContact O-CG 3.21Å; K45-E49 PolarHBondContact O-N 2.81Å; E47-E49 PolarHBondContact O-N 3.25Å
50R96.1Very high96Very high206 Ų20697 Ų9778%0.77750%0.498SS*.Hα-helixtrans-93.4-7.4179.5-68-179.8178.1-173.80.3113.2V46 E47 F48V46-R50 WeakPolarHBondContact O-CB 3.4Å; V46-R50 VanDerWaalsContact O-CG 3.28Å; V46-R50 WeakPolarHBondContact O-CG 3.21Å; V46-R50 PolarHBondContact O-N 3.2Å; V46-R50 VanDerWaalsContact O-N 3.12Å; E47-R50 CarbonylContact O-C 3.56Å; E47-R50 PolarHBondContact O-N 3.37Å; F48-R50 VanDerWaalsContact C-N 3.25Å; F48-R50 PolarHBondContact O-N 3.21Å
51S96.4Very high95.9Very high60 Ų6098.5 Ų98.542%0.4250%0.497SS..PPolyproline II helixtrans-78149.3-178.770.70000111.2E47 F48E47-S51 VanDerWaalsContact O-CB 3.28Å; E47-S51 WeakPolarHBondContact O-CB 3.25Å; E47-S51 PolarHBondContact O-N 2.9Å; F48-S51 PolarHBondContact O-N 3.44Å; F48-S51 VanDerWaalsContact O-N 3.16Å; F48-S51 PolarHBondContact O-OG 3.39Å
52H94.6Very high95.6Very high178 Ų17896.5 Ų96.582%0.82449%0.489SS*.PPolyproline II helixtrans-83.9158.4164.5-68.3-65.6000109.5S54H52-S54 PolarHBondContact O-N 2.98Å
53L94.5Very high95.3Very high90 Ų9092.9 Ų92.947%0.47147%0.469SS..PPolyproline II helixtrans-53.9125.2173.6-67.4173.4000110.4E57 L58L53-E57 HydrophobicContact CD2-CB 4.13Å; L53-L58 HydrophobicContact CB-CD2 3.91Å; L53-L58 HydrophobicContact CB-CG 3.86Å; L53-L58 HydrophobicContact CD1-CD2 3.73Å; L53-L58 HydrophobicContact CG-CD2 4.49Å
54S95.4Very high95Very high53 Ų5390.7 Ų90.737%0.37146%0.46SS..PPolyproline II helixtrans-67.8161.4174.666.20000111.1H52 H56 E57 L58H52-S54 PolarHBondContact O-N 2.98Å; S54-H56 PolarHBondContact O-N 2.89Å; S54-E57 WeakPolarHBondContact CB-OE2 3.35Å; S54-E57 PolarHBondContact N-OE2 3.48Å; S54-E57 PolarHBondContact O-N 3.36Å; S54-E57 VanDerWaalsContact OG-CG 3.28Å; S54-E57 WeakPolarHBondContact OG-CG 3.27Å; S54-E57 PolarHBondContact OG-N 3.36Å; S54-E57 PolarHBondContact OG-OE2 3.39Å; S54-L58 WeakPolarHBondContact O-CG 3.4Å; S54-L58 PolarHBondContact O-N 3.11Å
55A95.8Very high94.7Very high85 Ų8595 Ų9570%0.70247%0.468SS*.Hα-helixtrans-58.5-3317600000112.3R59A55-R59 WeakPolarHBondContact O-CB 3.49Å; A55-R59 PolarHBondContact O-N 3.47Å
56H94.4Very high94.2Very high50 Ų5096.4 Ų96.423%0.23147%0.47CS..Hα-helixtrans-69.4-44.8176.7-176.472.3000112S54 R59 H60 E90 W93S54-H56 PolarHBondContact O-N 2.89Å; H56-R59 WeakPolarHBondContact O-CB 3.49Å; H56-R59 PolarHBondContact O-N 2.95Å; H56-H60 WeakPolarHBondContact O-CB 3.46Å; H56-H60 PolarHBondContact O-N 3.25Å; H56-E90 IonicContact CD2-OE1 2.78Å; H56-E90 IonicContact CE1-OE1 2.83Å; H56-E90 IonicContact NE2-OE1 3.68Å; H56-E90 PolarHBondContact NE2-OE1 3Å; H56-W93 AromaticContact CE1-CH2 3.82Å; H56-W93 AromaticContact CE1-CZ3 3.7Å; H56-W93 AromaticContact ND1-CH2 3.86Å
57E94.8Very high93.7Very high60 Ų6098 Ų9828%0.2848%0.476SS..Hα-helixtrans-64.5-44.2176.8-70.8163.614000111.9L53 S54 R59 H60 E61L53-E57 HydrophobicContact CD2-CB 4.13Å; S54-E57 WeakPolarHBondContact CB-OE2 3.35Å; S54-E57 PolarHBondContact N-OE2 3.48Å; S54-E57 PolarHBondContact O-N 3.36Å; S54-E57 VanDerWaalsContact OG-CG 3.28Å; S54-E57 WeakPolarHBondContact OG-CG 3.27Å; S54-E57 PolarHBondContact OG-N 3.36Å; S54-E57 PolarHBondContact OG-OE2 3.39Å; E57-R59 VanDerWaalsContact C-N 3.29Å; E57-R59 PolarHBondContact O-N 2.89Å; E57-H60 PolarHBondContact O-N 3.3Å; E57-E61 PolarHBondContact O-N 3.39Å
58L94.6Very high93.3Very high86 Ų8694 Ų9445%0.4547%0.467SS..Hα-helixtrans-60.2-40.7175.3-73.1173.5000112L53 S54 T62L53-L58 HydrophobicContact CB-CD2 3.91Å; L53-L58 HydrophobicContact CB-CG 3.86Å; L53-L58 HydrophobicContact CD1-CD2 3.73Å; L53-L58 HydrophobicContact CG-CD2 4.49Å; S54-L58 WeakPolarHBondContact O-CG 3.4Å; S54-L58 PolarHBondContact O-N 3.11Å; L58-T62 WeakPolarHBondContact O-CB 3.33Å; L58-T62 PolarHBondContact O-N 2.98Å; L58-T62 PolarHBondContact O-OG1 3.21Å
59R93.5Very high92.9Very high94 Ų9489.7 Ų89.736%0.35546%0.455SS..Hα-helixtrans-64.2-49.2175.6-179.7-176.2175.8-167.5-5110.9A55 H56 E57 E61 T62 E63 I84 A86A55-R59 WeakPolarHBondContact O-CB 3.49Å; A55-R59 PolarHBondContact O-N 3.47Å; H56-R59 WeakPolarHBondContact O-CB 3.49Å; H56-R59 PolarHBondContact O-N 2.95Å; E57-R59 VanDerWaalsContact C-N 3.29Å; E57-R59 PolarHBondContact O-N 2.89Å; R59-E61 VanDerWaalsContact C-N 3.33Å; R59-E61 PolarHBondContact O-N 3.19Å; R59-T62 PolarHBondContact O-N 2.95Å; R59-T62 VanDerWaalsContact O-N 3.16Å; R59-E63 HydrophobicContact CG-CG 4.41Å; R59-E63 WeakPolarHBondContact CG-OE1 3.38Å; R59-E63 IonicContact CZ-OE1 3.39Å; R59-E63 IonicContact NE-OE1 2.79Å; R59-E63 PolarHBondContact NE-OE1 3.08Å; R59-E63 IonicContact NH2-OE1 3.05Å; R59-E63 PolarHBondContact NH2-OE1 2.84Å; R59-E63 WeakPolarHBondContact O-CB 3.38Å; R59-E63 WeakPolarHBondContact O-CG 3.31Å; R59-E63 PolarHBondContact O-N 2.73Å; R59-I84 PolarHBondContact NH2-O 3.24Å; R59-A86 HydrophobicContact CG-CB 4.33Å
60H93.3Very high92.4Very high61 Ų6184 Ų8428%0.28243%0.434SS..Hα-helixtrans-57.9-44.6177.9-177.2-91.8000111.4H56 E57 T62 T64 A86H56-H60 WeakPolarHBondContact O-CB 3.46Å; H56-H60 PolarHBondContact O-N 3.25Å; E57-H60 PolarHBondContact O-N 3.3Å; H60-T62 PolarHBondContact O-N 3.23Å; H60-T64 WeakPolarHBondContact O-CB 3.28Å; H60-T64 VanDerWaalsContact O-CG2 3.23Å; H60-T64 WeakPolarHBondContact O-CG2 3.41Å; H60-T64 PolarHBondContact O-N 3.49Å; H60-T64 PolarHBondContact O-OG1 2.87Å; H60-A86 HydrophobicContact CB-CB 3.93Å
61E93.6Very high91.9Very high76 Ų7680.9 Ų80.936%0.35543%0.432SS..Hα-helixtrans-61.4-43174.3-82.1-160.7-162.700113.4E57 R59 T64 K65E57-E61 PolarHBondContact O-N 3.39Å; R59-E61 VanDerWaalsContact C-N 3.33Å; R59-E61 PolarHBondContact O-N 3.19Å; E61-T64 WeakPolarHBondContact CA-OG1 3.28Å; E61-T64 PolarHBondContact O-OG1 2.83Å; E61-K65 WeakPolarHBondContact O-CB 3.34Å; E61-K65 WeakPolarHBondContact O-CD 3.39Å; E61-K65 WeakPolarHBondContact O-CG 3.47Å; E61-K65 PolarHBondContact O-N 3.04Å; E61-K65 VanDerWaalsContact O-N 3.08Å; E61-K65 IonicContact OE2-NZ 2.73Å; E61-K65 PolarHBondContact OE2-NZ 3.38Å
62T93Very high91.4Very high64 Ų6482.7 Ų82.739%0.39345%0.445SS..Hα-helixtrans-67.7-44.2-178.3-58.60000110.8L58 R59 H60 R66L58-T62 WeakPolarHBondContact O-CB 3.33Å; L58-T62 PolarHBondContact O-N 2.98Å; L58-T62 PolarHBondContact O-OG1 3.21Å; R59-T62 PolarHBondContact O-N 2.95Å; R59-T62 VanDerWaalsContact O-N 3.16Å; H60-T62 PolarHBondContact O-N 3.23Å; T62-R66 WeakPolarHBondContact O-CB 3.48Å; T62-R66 VanDerWaalsContact O-CG 3.27Å; T62-R66 WeakPolarHBondContact O-CG 3.27Å; T62-R66 PolarHBondContact O-N 3.31Å
63E90.6Very high90.8Very high28 Ų2881.8 Ų81.813%0.13144%0.438CS..Hα-helixtrans-67.2-43.4178.7-71.2179.9-175.700111.8R59 K65 R66 I67 T85 A86R59-E63 HydrophobicContact CG-CG 4.41Å; R59-E63 WeakPolarHBondContact CG-OE1 3.38Å; R59-E63 IonicContact CZ-OE1 3.39Å; R59-E63 IonicContact NE-OE1 2.79Å; R59-E63 PolarHBondContact NE-OE1 3.08Å; R59-E63 IonicContact NH2-OE1 3.05Å; R59-E63 PolarHBondContact NH2-OE1 2.84Å; R59-E63 WeakPolarHBondContact O-CB 3.38Å; R59-E63 WeakPolarHBondContact O-CG 3.31Å; R59-E63 PolarHBondContact O-N 2.73Å; E63-K65 PolarHBondContact O-N 3.23Å; E63-R66 PolarHBondContact O-N 2.81Å; E63-I67 WeakPolarHBondContact O-CB 3.44Å; E63-I67 VanDerWaalsContact O-CG1 3.24Å; E63-I67 WeakPolarHBondContact O-CG1 3.31Å; E63-I67 PolarHBondContact O-N 3.19Å; E63-T85 VanDerWaalsContact OE2-CA 3.3Å; E63-T85 WeakPolarHBondContact OE2-CA 3.41Å; E63-T85 WeakPolarHBondContact OE2-CB 3.04Å; E63-A86 PolarHBondContact OE2-N 3.33Å
64T90.4Very high89.6Confident63 Ų6380.9 Ų80.939%0.38745%0.451SS..Hα-helixtrans-61.3-42.8176.149.50000112.2H60 E61 I67 A68H60-T64 WeakPolarHBondContact O-CB 3.28Å; H60-T64 VanDerWaalsContact O-CG2 3.23Å; H60-T64 WeakPolarHBondContact O-CG2 3.41Å; H60-T64 PolarHBondContact O-N 3.49Å; H60-T64 PolarHBondContact O-OG1 2.87Å; E61-T64 WeakPolarHBondContact CA-OG1 3.28Å; E61-T64 PolarHBondContact O-OG1 2.83Å; T64-I67 PolarHBondContact O-N 2.71Å; T64-A68 WeakPolarHBondContact O-CB 3.33Å; T64-A68 PolarHBondContact O-N 2.78Å
65K91.8Very high87.9Confident129 Ų12983 Ų8356%0.56146%0.461SS*.Hα-helixtrans-61.8-44.5174-72.7167.1-169.5158.90111.7E61 E63 A68 S69E61-K65 WeakPolarHBondContact O-CB 3.34Å; E61-K65 WeakPolarHBondContact O-CD 3.39Å; E61-K65 WeakPolarHBondContact O-CG 3.47Å; E61-K65 PolarHBondContact O-N 3.04Å; E61-K65 VanDerWaalsContact O-N 3.08Å; E61-K65 IonicContact OE2-NZ 2.73Å; E61-K65 PolarHBondContact OE2-NZ 3.38Å; E63-K65 PolarHBondContact O-N 3.23Å; K65-A68 PolarHBondContact O-N 3.45Å; K65-S69 WeakPolarHBondContact O-CB 3.47Å; K65-S69 PolarHBondContact O-N 3.15Å; K65-S69 PolarHBondContact O-OG 3.24Å
66R88.3Confident86.1Confident161 Ų16182.1 Ų82.161%0.60846%0.46SS*.Hα-helixtrans-60.1-48.7176.2-75.6175.4-176.5-169.60.9111.3T62 E63 S69 A70T62-R66 WeakPolarHBondContact O-CB 3.48Å; T62-R66 VanDerWaalsContact O-CG 3.27Å; T62-R66 WeakPolarHBondContact O-CG 3.27Å; T62-R66 PolarHBondContact O-N 3.31Å; E63-R66 PolarHBondContact O-N 2.81Å; R66-S69 PolarHBondContact O-N 2.67Å; R66-S69 PolarHBondContact O-OG 2.77Å; R66-A70 WeakPolarHBondContact O-CB 3.36Å; R66-A70 PolarHBondContact O-N 3.43Å
67I86.5Confident84.2Confident75 Ų7588.8 Ų88.839%0.38549%0.489SS..Hα-helixtrans-61.9-47179.1-67.7164.2000110.9E63 T64 S69 A70 L71E63-I67 WeakPolarHBondContact O-CB 3.44Å; E63-I67 VanDerWaalsContact O-CG1 3.24Å; E63-I67 WeakPolarHBondContact O-CG1 3.31Å; E63-I67 PolarHBondContact O-N 3.19Å; T64-I67 PolarHBondContact O-N 2.71Å; I67-S69 VanDerWaalsContact C-N 3.3Å; I67-S69 PolarHBondContact O-N 2.69Å; I67-A70 PolarHBondContact O-N 3.25Å; I67-L71 HydrophobicContact CG2-CD1 3.91Å; I67-L71 HydrophobicContact CG2-CG 4.39Å; I67-L71 WeakPolarHBondContact O-CG 3.22Å; I67-L71 PolarHBondContact O-N 2.99Å
68A88.8Confident81.9Confident59 Ų5991.2 Ų91.249%0.48851%0.513SS..Hα-helixtrans-59.5-40.6177.800000112.2T64 K65 S72T64-A68 WeakPolarHBondContact O-CB 3.33Å; T64-A68 PolarHBondContact O-N 2.78Å; K65-A68 PolarHBondContact O-N 3.45Å; A68-S72 PolarHBondContact O-N 3.27Å; A68-S72 VanDerWaalsContact O-N 3.16Å; A68-S72 PolarHBondContact O-OG 3.47Å
69S88.3Confident79.5Confident51 Ų5191.2 Ų91.236%0.35753%0.525SS..Hα-helixtrans-70.3-3317777.40000113.7K65 R66 I67 S72 K73K65-S69 WeakPolarHBondContact O-CB 3.47Å; K65-S69 PolarHBondContact O-N 3.15Å; K65-S69 PolarHBondContact O-OG 3.24Å; R66-S69 PolarHBondContact O-N 2.67Å; R66-S69 PolarHBondContact O-OG 2.77Å; I67-S69 VanDerWaalsContact C-N 3.3Å; I67-S69 PolarHBondContact O-N 2.69Å; S69-S72 PolarHBondContact O-OG 3.33Å; S69-S72 VanDerWaalsContact O-OG 3.08Å; S69-K73 WeakPolarHBondContact O-CB 3.39Å; S69-K73 WeakPolarHBondContact O-CG 3.36Å; S69-K73 PolarHBondContact O-N 3.25Å
70A86.2Confident77.3Confident35 Ų3595.6 Ų95.629%0.28955%0.549SS..Hα-helixtrans-70.6-40.9176.400000111.1R66 I67 K73 G74R66-A70 WeakPolarHBondContact O-CB 3.36Å; R66-A70 PolarHBondContact O-N 3.43Å; I67-A70 PolarHBondContact O-N 3.25Å; A70-K73 PolarHBondContact O-N 3.32Å; A70-G74 PolarHBondContact O-N 2.94Å
71L85Confident75.2Confident140 Ų140102.2 Ų102.273%0.73358%0.581SS**Hα-helixtrans-62.4-40.5175.6-71.8169.3000112.1I67I67-L71 HydrophobicContact CG2-CD1 3.91Å; I67-L71 HydrophobicContact CG2-CG 4.39Å; I67-L71 WeakPolarHBondContact O-CG 3.22Å; I67-L71 PolarHBondContact O-N 2.99Å
72S85.9Confident73.3Confident98 Ų98102 Ų10269%0.68559%0.587SS**Hα-helixtrans-74.5-31.1179.565.20000113.9A68 S69A68-S72 PolarHBondContact O-N 3.27Å; A68-S72 VanDerWaalsContact O-N 3.16Å; A68-S72 PolarHBondContact O-OG 3.47Å; S69-S72 PolarHBondContact O-OG 3.33Å; S69-S72 VanDerWaalsContact O-OG 3.08Å
73K81.5Confident72.2Confident159 Ų159107.3 Ų107.369%0.69161%0.612SS**Hα-helixtrans-86.3-6.2-179.4-69.4179179.5179.20114.1S69 A70 V75S69-K73 WeakPolarHBondContact O-CB 3.39Å; S69-K73 WeakPolarHBondContact O-CG 3.36Å; S69-K73 PolarHBondContact O-N 3.25Å; A70-K73 PolarHBondContact O-N 3.32Å; K73-V75 HydrophobicContact CB-CG2 4.06Å; K73-V75 PolarHBondContact O-N 3.16Å; K73-V75 VanDerWaalsContact O-N 3.14Å
74G69.1Low71.7Confident71 Ų71110 Ų11073%0.73263%0.627SS**THydrogen-bonded Turntrans62.416.6-177.100000114.1A70 G76A70-G74 PolarHBondContact O-N 2.94Å; G74-G76 PolarHBondContact O-N 3.07Å
75V61.5Low71.6Confident98 Ų98108.7 Ų108.759%0.59462%0.619SS**  trans-89.1107.8-178.9179.40000108.7K73K73-V75 HydrophobicContact CB-CG2 4.06Å; K73-V75 PolarHBondContact O-N 3.16Å; K73-V75 VanDerWaalsContact O-N 3.14Å
76G57.3Low71.6Confident66 Ų66102.5 Ų102.568%0.6859%0.592SS**  trans-60134.1170.500000111.4G74 S78G74-G76 PolarHBondContact O-N 3.07Å; G76-S78 PolarHBondContact O-N 2.89Å
77K53.2Low71.7Confident190 Ų190103 Ų10383%0.82659%0.594SS**  trans-49.9103.8-171.7-65.8175.5175.5179.80113.1
78S48Very low72Confident112 Ų112104 Ų10478%0.78360%0.597SS**  trans-96.2108.1159.1-176.70000108.9G76G76-S78 PolarHBondContact O-N 2.89Å
79A42.9Very low72.2Confident86 Ų86101.8 Ų101.871%0.71158%0.578SS**  trans44.699.9144.700000118.7
80E48.4Very low72.5Confident185 Ų185102.4 Ų102.486%0.86458%0.575SS**  trans-158.2134.3130.7-109.5170.7-159.300109.5S82E80-S82 PolarHBondContact O-N 3.48Å
81E49.5Very low72.9Confident201 Ų201104.4 Ų104.494%0.93958%0.58SS**  trans-79.494.6-155.6-65.2159.9154.500114.1
82S52.7Low73.3Confident71 Ų71102.1 Ų102.150%0.49757%0.567SS.*  trans-133.3103.2152.1550000109E80 I84E80-S82 PolarHBondContact O-N 3.48Å; S82-I84 PolarHBondContact O-N 3.28Å
83L69.5Low73.8Confident176 Ų176104 Ų10492%0.92156%0.56SS**SBendtrans-62-11.8-165.5-76.8156.6000115.7
84I80.6Confident74.5Confident84 Ų84102.2 Ų102.243%0.43155%0.554SS.*SBendtrans-145.2119.4-176.1-55.3176.9000107.5R59 S82 E88 A89R59-I84 PolarHBondContact NH2-O 3.24Å; S82-I84 PolarHBondContact O-N 3.28Å; I84-E88 HydrophobicContact CG2-CB 3.57Å; I84-A89 HydrophobicContact CG2-CB 4.13Å
85T89.2Confident75.7Confident35 Ų35102.6 Ų102.622%0.21554%0.538CS..  trans-64.7156.4173.158.30000111.1E63 R87 E88 A89E63-T85 VanDerWaalsContact OE2-CA 3.3Å; E63-T85 WeakPolarHBondContact OE2-CA 3.41Å; E63-T85 WeakPolarHBondContact OE2-CB 3.04Å; T85-R87 PolarHBondContact O-N 3.12Å; T85-E88 PolarHBondContact N-OE2 3.36Å; T85-E88 PolarHBondContact O-N 2.87Å; T85-E88 WeakPolarHBondContact OG1-CB 3.41Å; T85-E88 WeakPolarHBondContact OG1-CG 3.4Å; T85-E88 PolarHBondContact OG1-N 3.09Å; T85-E88 PolarHBondContact OG1-OE2 3.26Å; T85-A89 PolarHBondContact O-N 3.04Å
86A90.9Very high77.3Confident0 Ų0103.5 Ų103.50%054%0.536CS..Hα-helixtrans-54.1-38.8178.100000111.8R59 H60 E63 A89 E90R59-A86 HydrophobicContact CG-CB 4.33Å; H60-A86 HydrophobicContact CB-CB 3.93Å; E63-A86 PolarHBondContact OE2-N 3.33Å; A86-A89 WeakPolarHBondContact O-CB 3.31Å; A86-A89 PolarHBondContact O-N 2.66Å; A86-E90 WeakPolarHBondContact O-CG 3.32Å; A86-E90 PolarHBondContact O-N 3.17Å; A86-E90 VanDerWaalsContact O-N 3.08Å
87R89.9Confident79.1Confident171 Ų171103.5 Ų103.565%0.64553%0.53SS*.Hα-helixtrans-68.7-40.2175.2-174.6175.3-178169.62.3113.1T85 A89 E90 I91T85-R87 PolarHBondContact O-N 3.12Å; R87-A89 VanDerWaalsContact C-N 3.27Å; R87-A89 PolarHBondContact O-N 3.31Å; R87-E90 PolarHBondContact O-N 3.3Å; R87-I91 HydrophobicContact CG-CD1 4.4Å; R87-I91 WeakPolarHBondContact O-CG1 3.37Å; R87-I91 PolarHBondContact O-N 3.15Å; R87-I91 VanDerWaalsContact O-N 3.11Å
88E92.6Very high81Confident97 Ų97101.7 Ų101.745%0.45352%0.524SS..Hα-helixtrans-64.7-35.4174.1-74.6161.2167.400111I84 T85 I91 M92I84-E88 HydrophobicContact CG2-CB 3.57Å; T85-E88 PolarHBondContact N-OE2 3.36Å; T85-E88 PolarHBondContact O-N 2.87Å; T85-E88 WeakPolarHBondContact OG1-CB 3.41Å; T85-E88 WeakPolarHBondContact OG1-CG 3.4Å; T85-E88 PolarHBondContact OG1-N 3.09Å; T85-E88 PolarHBondContact OG1-OE2 3.26Å; E88-I91 PolarHBondContact O-N 3.27Å; E88-M92 VanDerWaalsContact O-CG 3.29Å; E88-M92 WeakPolarHBondContact O-CG 3.35Å; E88-M92 PolarHBondContact O-N 3.46Å
89A93.4Very high83.3Confident12 Ų12103.6 Ų103.610%0.09952%0.521CS..Hα-helixtrans-64.6-43174.600000112.2I84 T85 A86 R87 I91 M92 W93I84-A89 HydrophobicContact CG2-CB 4.13Å; T85-A89 PolarHBondContact O-N 3.04Å; A86-A89 WeakPolarHBondContact O-CB 3.31Å; A86-A89 PolarHBondContact O-N 2.66Å; R87-A89 VanDerWaalsContact C-N 3.27Å; R87-A89 PolarHBondContact O-N 3.31Å; A89-I91 VanDerWaalsContact C-N 3.35Å; A89-I91 PolarHBondContact O-N 2.68Å; A89-M92 PolarHBondContact O-N 2.77Å; A89-W93 HydrophobicContact CB-CH2 4.24Å; A89-W93 HydrophobicContact CB-CZ2 4.06Å; A89-W93 VanDerWaalsContact O-CD2 3.26Å; A89-W93 PolarHBondContact O-N 3.26Å
90E94.4Very high85.7Confident63 Ų63107.5 Ų107.529%0.29452%0.518SS..Hα-helixtrans-57.3-46.8173.3-72.5169-179.600111.7H56 A86 R87 M92 W93 E94H56-E90 IonicContact CD2-OE1 2.78Å; H56-E90 IonicContact CE1-OE1 2.83Å; H56-E90 IonicContact NE2-OE1 3.68Å; H56-E90 PolarHBondContact NE2-OE1 3Å; A86-E90 WeakPolarHBondContact O-CG 3.32Å; A86-E90 PolarHBondContact O-N 3.17Å; A86-E90 VanDerWaalsContact O-N 3.08Å; R87-E90 PolarHBondContact O-N 3.3Å; E90-M92 VanDerWaalsContact C-N 3.32Å; E90-M92 PolarHBondContact O-N 3.08Å; E90-W93 HydrophobicContact CG-CE3 4.3Å; E90-W93 HydrophobicContact CG-CZ3 4.23Å; E90-W93 PolarHBondContact O-N 3.32Å; E90-E94 WeakPolarHBondContact O-CG 3.34Å; E90-E94 PolarHBondContact O-N 2.76Å
91I94.8Very high87.8Confident77 Ų77107.3 Ų107.340%0.39552%0.515SS..Hα-helixtrans-60.5-42.8176.9-66.3165.5000110.9R87 E88 A89 W93 E94 L95R87-I91 HydrophobicContact CG-CD1 4.4Å; R87-I91 WeakPolarHBondContact O-CG1 3.37Å; R87-I91 PolarHBondContact O-N 3.15Å; R87-I91 VanDerWaalsContact O-N 3.11Å; E88-I91 PolarHBondContact O-N 3.27Å; A89-I91 VanDerWaalsContact C-N 3.35Å; A89-I91 PolarHBondContact O-N 2.68Å; I91-W93 VanDerWaalsContact C-N 3.35Å; I91-W93 PolarHBondContact O-N 2.94Å; I91-E94 PolarHBondContact O-N 3.36Å; I91-L95 HydrophobicContact CG2-CD1 4.08Å; I91-L95 HydrophobicContact CG2-CG 4.42Å; I91-L95 WeakPolarHBondContact O-CB 3.45Å; I91-L95 VanDerWaalsContact O-CG 3.27Å; I91-L95 WeakPolarHBondContact O-CG 3.49Å; I91-L95 PolarHBondContact O-N 3.08Å
92M95Very high89.7Confident93 Ų93102.4 Ų102.446%0.45850%0.5SS..Hα-helixtrans-61.9-42.4176.9-71.6-60.3-58.400111.8E88 A89 E90 L95 E96E88-M92 VanDerWaalsContact O-CG 3.29Å; E88-M92 WeakPolarHBondContact O-CG 3.35Å; E88-M92 PolarHBondContact O-N 3.46Å; A89-M92 PolarHBondContact O-N 2.77Å; E90-M92 VanDerWaalsContact C-N 3.32Å; E90-M92 PolarHBondContact O-N 3.08Å; M92-L95 PolarHBondContact O-N 3.41Å; M92-L95 HydrophobicContact SD-CD1 4.48Å; M92-E96 WeakPolarHBondContact O-CG 3.26Å; M92-E96 PolarHBondContact O-N 2.97Å
93W95.5Very high91.4Very high138 Ų138103.4 Ų103.452%0.52351%0.513SS..Hα-helixtrans-66.3-39.4176.8-60.3-29.6000112.5H56 A89 E90 I91 E96 A97H56-W93 AromaticContact CE1-CH2 3.82Å; H56-W93 AromaticContact CE1-CZ3 3.7Å; H56-W93 AromaticContact ND1-CH2 3.86Å; A89-W93 HydrophobicContact CB-CH2 4.24Å; A89-W93 HydrophobicContact CB-CZ2 4.06Å; A89-W93 VanDerWaalsContact O-CD2 3.26Å; A89-W93 PolarHBondContact O-N 3.26Å; E90-W93 HydrophobicContact CG-CE3 4.3Å; E90-W93 HydrophobicContact CG-CZ3 4.23Å; E90-W93 PolarHBondContact O-N 3.32Å; I91-W93 VanDerWaalsContact C-N 3.35Å; I91-W93 PolarHBondContact O-N 2.94Å; W93-E96 PolarHBondContact O-N 2.76Å; W93-A97 VanDerWaalsContact O-CB 3.31Å; W93-A97 WeakPolarHBondContact O-CB 3.44Å; W93-A97 PolarHBondContact O-N 3.3Å
94E95.6Very high92.4Very high121 Ų121101.5 Ų101.557%0.56550%0.499SS*.Hα-helixtrans-61.1-45.5173.7-73.4174.9174.700110.9E90 I91 E96 A97 E98E90-E94 WeakPolarHBondContact O-CG 3.34Å; E90-E94 PolarHBondContact O-N 2.76Å; I91-E94 PolarHBondContact O-N 3.36Å; E94-E96 PolarHBondContact O-N 3.12Å; E94-A97 PolarHBondContact O-N 2.83Å; E94-E98 WeakPolarHBondContact O-CG 3.21Å; E94-E98 PolarHBondContact O-N 3.24Å
95L95.3Very high92.8Very high78 Ų78102.4 Ų102.441%0.40850%0.497SS..Hα-helixtrans-62.9-38.9177-71.5172.4000112.8I91 M92 Q99I91-L95 HydrophobicContact CG2-CD1 4.08Å; I91-L95 HydrophobicContact CG2-CG 4.42Å; I91-L95 WeakPolarHBondContact O-CB 3.45Å; I91-L95 VanDerWaalsContact O-CG 3.27Å; I91-L95 WeakPolarHBondContact O-CG 3.49Å; I91-L95 PolarHBondContact O-N 3.08Å; M92-L95 PolarHBondContact O-N 3.41Å; M92-L95 HydrophobicContact SD-CD1 4.48Å; L95-Q99 VanDerWaalsContact O-CG 3.25Å; L95-Q99 WeakPolarHBondContact O-CG 3.42Å; L95-Q99 PolarHBondContact O-N 3.43Å; L95-Q99 PolarHBondContact O-NE2 3.49Å
96E95.5Very high92.7Very high117 Ų117106.3 Ų106.355%0.54752%0.516SS..Hα-helixtrans-66.7-41174.1-74.3176.6-174.600111.6M92 W93 E94 Q99 Y100M92-E96 WeakPolarHBondContact O-CG 3.26Å; M92-E96 PolarHBondContact O-N 2.97Å; W93-E96 PolarHBondContact O-N 2.76Å; E94-E96 PolarHBondContact O-N 3.12Å; E96-Q99 PolarHBondContact O-N 2.89Å; E96-Y100 PolarHBondContact O-N 3.13Å
97A94.3Very high92.5Very high67 Ų67107 Ų10755%0.55452%0.52SS*.Hα-helixtrans-65.8-38.7177.900000112.2W93 E94 Y100W93-A97 VanDerWaalsContact O-CB 3.31Å; W93-A97 WeakPolarHBondContact O-CB 3.44Å; W93-A97 PolarHBondContact O-N 3.3Å; E94-A97 PolarHBondContact O-N 2.83Å; A97-Y100 PolarHBondContact O-N 3.31Å
98E94.2Very high92.3Very high151 Ų151106.6 Ų106.671%0.70653%0.526SS*.Hα-helixtrans-68.3-33.4176.4-74.6-177172.900113E94 Y100E94-E98 WeakPolarHBondContact O-CG 3.21Å; E94-E98 PolarHBondContact O-N 3.24Å; E98-Y100 VanDerWaalsContact C-N 3.28Å; E98-Y100 PolarHBondContact O-N 3.03Å
99Q94.6Very high92Very high153 Ų153103.3 Ų103.372%0.71551%0.511SS*.Hα-helixtrans-67.6-31.4174.8-74.1170.446.300112L95 E96 K101L95-Q99 VanDerWaalsContact O-CG 3.25Å; L95-Q99 WeakPolarHBondContact O-CG 3.42Å; L95-Q99 PolarHBondContact O-N 3.43Å; L95-Q99 PolarHBondContact O-NE2 3.49Å; E96-Q99 PolarHBondContact O-N 2.89Å; Q99-K101 PolarHBondContact O-N 2.86Å
100Y93.7Very high91.7Very high167 Ų167104.5 Ų104.566%0.65552%0.516SS*.  trans-80.8111.6-179.5-177.6-103.7000111.8E96 A97 E98 P102E96-Y100 PolarHBondContact O-N 3.13Å; A97-Y100 PolarHBondContact O-N 3.31Å; E98-Y100 VanDerWaalsContact C-N 3.28Å; E98-Y100 PolarHBondContact O-N 3.03Å; Y100-P102 HydrophobicContact CE1-CB 4.11Å; Y100-P102 WeakPolarHBondContact O-CD 3.35Å
101K91.9Very high91.3Very high182 Ų182108 Ų10879%0.79153%0.53SS*.  trans-92.5109.2172-67.4-177.6-178.3178.50109.8Q99Q99-K101 PolarHBondContact O-N 2.86Å
102P90.4Very high90.9Very high98 Ų98107.9 Ų107.964%0.63654%0.536SS*.PPolyproline II helixtrans-64144.7176.427-33.8000110.5Y100Y100-P102 HydrophobicContact CE1-CB 4.11Å; Y100-P102 WeakPolarHBondContact O-CD 3.35Å
103A88.8Confident90.4Very high91 Ų91111 Ų11175%0.75255%0.55SS*.PPolyproline II helixtrans-63.6145175.300000111.3R105A103-R105 PolarHBondContact O-N 3.47Å
104E89.8Confident89.9Confident137 Ų137107 Ų10764%0.6454%0.539SS*.PPolyproline II helixtrans-60.2135.2174.4-68.5-173.8-173.300110.5L106 K111E104-L106 VanDerWaalsContact C-N 3.26Å; E104-L106 PolarHBondContact O-N 3.1Å; E104-K111 IonicContact OE2-NZ 2.92Å; E104-K111 PolarHBondContact OE2-NZ 3.49Å
105R88.2Confident89.5Confident103 Ų103103.7 Ų103.739%0.38953%0.525SS..SBendtrans-68-29.8174.9-65.617363.179.36.4112A29 E31 A103A29-R105 PolarHBondContact O-NH2 3.44Å; E31-R105 IonicContact OE1-NE 3.27Å; E31-R105 PolarHBondContact OE1-NE 2.9Å; A103-R105 PolarHBondContact O-N 3.47Å
106L87.5Confident89.1Confident116 Ų116105.1 Ų105.161%0.60753%0.527SS*.SBendtrans-91.4123.1177.1-66.2172.9000109.1E104E104-L106 VanDerWaalsContact C-N 3.26Å; E104-L106 PolarHBondContact O-N 3.1Å
107T86.7Confident88.8Confident14 Ų1499.6 Ų99.69%0.08650%0.501CS..  trans-84.2161.7-179.8640000111.2N109 D110 K111 W119 L122T107-N109 PolarHBondContact O-N 2.97Å; T107-D110 PolarHBondContact N-OD2 3.31Å; T107-D110 WeakPolarHBondContact O-CB 3.28Å; T107-D110 PolarHBondContact O-N 2.92Å; T107-D110 PolarHBondContact OG1-N 3.25Å; T107-D110 PolarHBondContact OG1-OD2 3.44Å; T107-K111 PolarHBondContact O-N 3.25Å; T107-W119 PolarHBondContact OG1-O 3.38Å; T107-L122 HydrophobicContact CG2-CD1 3.56Å; T107-L122 HydrophobicContact CG2-CG 3.96Å
108E87.2Confident88.4Confident164 Ų16496.4 Ų96.477%0.76648%0.475SS*.Hα-helixtrans-58.4-34.5171.6-64.8-179.7173.300111.8D110 K111 S112E108-D110 VanDerWaalsContact C-N 3.26Å; E108-D110 PolarHBondContact O-N 2.97Å; E108-K111 WeakPolarHBondContact O-CB 3.35Å; E108-K111 PolarHBondContact O-N 2.66Å; E108-K111 VanDerWaalsContact O-N 3.09Å; E108-S112 PolarHBondContact O-N 2.79Å; E108-S112 PolarHBondContact O-OG 2.93Å
109N85.9Confident88.1Confident28 Ų2892.3 Ų92.315%0.1545%0.453CS..Hα-helixtrans-66-26.7175.7-69.9-44.7000113.3T107 E113 N114 S117 W119 R120T107-N109 PolarHBondContact O-N 2.97Å; N109-E113 WeakPolarHBondContact O-CA 3.36Å; N109-E113 PolarHBondContact O-N 3.18Å; N109-E113 VanDerWaalsContact O-N 3.09Å; N109-N114 HydrophobicContact CB-CB 4.28Å; N109-N114 PolarHBondContact O-N 3.46Å; N109-N114 PolarHBondContact OD1-ND2 3.39Å; N109-S117 WeakPolarHBondContact ND2-CB 3.44Å; N109-S117 PolarHBondContact ND2-OG 2.97Å; N109-S117 VanDerWaalsContact ND2-OG 3.17Å; N109-W119 WeakPolarHBondContact CB-O 3.49Å; N109-W119 PolarHBondContact ND2-O 3.14Å; N109-R120 HydrophobicContact CB-CB 4.01Å
110D86.1Confident87.9Confident36 Ų3685.5 Ų85.519%0.19342%0.421CS..Hα-helixtrans-71.6-40.5171.2-64.2-48.7000110.6T107 E108 E113 R120 V121T107-D110 PolarHBondContact N-OD2 3.31Å; T107-D110 WeakPolarHBondContact O-CB 3.28Å; T107-D110 PolarHBondContact O-N 2.92Å; T107-D110 PolarHBondContact OG1-N 3.25Å; T107-D110 PolarHBondContact OG1-OD2 3.44Å; E108-D110 VanDerWaalsContact C-N 3.26Å; E108-D110 PolarHBondContact O-N 2.97Å; D110-E113 PolarHBondContact O-N 2.97Å; D110-R120 WeakPolarHBondContact OD1-CA 3.47Å; D110-R120 WeakPolarHBondContact OD1-CB 3.32Å; D110-V121 WeakPolarHBondContact OD1-CG2 3.33Å; D110-V121 PolarHBondContact OD1-N 2.84Å; D110-V121 PolarHBondContact OD2-N 2.82Å
111K86.8Confident87.6Confident136 Ų13678.9 Ų78.959%0.59140%0.398SS*.Hα-helixtrans-68.1-36.1177.7-62175.9-172.8168.40111.9E104 T107 E108E104-K111 IonicContact OE2-NZ 2.92Å; E104-K111 PolarHBondContact OE2-NZ 3.49Å; T107-K111 PolarHBondContact O-N 3.25Å; E108-K111 WeakPolarHBondContact O-CB 3.35Å; E108-K111 PolarHBondContact O-N 2.66Å; E108-K111 VanDerWaalsContact O-N 3.09Å
112S86.9Confident87.5Confident76 Ų7670.6 Ų70.653%0.53136%0.362SS..THydrogen-bonded Turntrans-921.1-179.977.10000114.1E108 N114E108-S112 PolarHBondContact O-N 2.79Å; E108-S112 PolarHBondContact O-OG 2.93Å; S112-N114 PolarHBondContact O-N 3.09Å
113E84.6Confident87.5Confident159 Ų15968.4 Ų68.474%0.74335%0.345SS*.THydrogen-bonded Turntrans48.140.5-174-61.2-173.6168.600114N109 D110 L115N109-E113 WeakPolarHBondContact O-CA 3.36Å; N109-E113 PolarHBondContact O-N 3.18Å; N109-E113 VanDerWaalsContact O-N 3.09Å; D110-E113 PolarHBondContact O-N 2.97Å; E113-L115 PolarHBondContact O-N 3.02Å
114N85.2Confident87.6Confident53 Ų5368.1 Ų68.128%0.28333%0.327SS..  trans-76.397.6-176.5-178.38.2000111.6N109 S112 K116 S117 R120N109-N114 HydrophobicContact CB-CB 4.28Å; N109-N114 PolarHBondContact O-N 3.46Å; N109-N114 PolarHBondContact OD1-ND2 3.39Å; S112-N114 PolarHBondContact O-N 3.09Å; N114-K116 PolarHBondContact O-N 3.18Å; N114-K116 WeakPolarHBondContact OD1-CB 3.22Å; N114-K116 PolarHBondContact OD1-N 3.14Å; N114-K116 VanDerWaalsContact OD1-N 3.09Å; N114-S117 PolarHBondContact O-N 2.69Å; N114-R120 WeakPolarHBondContact O-CD 3.25Å
115L87Confident87.7Confident52 Ų5262.9 Ų62.927%0.27231%0.305SS..THydrogen-bonded Turntrans-68.1-11.7-179.3-57.7178.5000114.8E113 R120 I224 W225 F234E113-L115 PolarHBondContact O-N 3.02Å; L115-R120 VanDerWaalsContact CD2-NH2 3.25Å; L115-I224 HydrophobicContact CB-CB 4.25Å; L115-I224 HydrophobicContact CB-CG2 3.95Å; L115-I224 WeakPolarHBondContact O-CA 3.11Å; L115-W225 PolarHBondContact O-N 3.09Å; L115-F234 HydrophobicContact CD1-CE1 4.28Å; L115-F234 HydrophobicContact CD1-CZ 3.76Å
116K86.8Confident87.9Confident108 Ų10858 Ų5847%0.4729%0.286SS..THydrogen-bonded Turntrans-85.7-21.6179.7-66.5-172.3177.4-175.70113N114 Y223N114-K116 PolarHBondContact O-N 3.18Å; N114-K116 WeakPolarHBondContact OD1-CB 3.22Å; N114-K116 PolarHBondContact OD1-N 3.14Å; N114-K116 VanDerWaalsContact OD1-N 3.09Å; K116-Y223 HydrophobicContact CB-CE2 4.14Å; K116-Y223 VanDerWaalsContact O-CE2 3.3Å; K116-Y223 WeakPolarHBondContact O-CE2 3.38Å
117S87.4Confident88.2Confident0 Ų052.7 Ų52.70%026%0.258CS..  trans-87.7135.9176-161.60000110.5N109 N114 W119 H208 E210N109-S117 WeakPolarHBondContact ND2-CB 3.44Å; N109-S117 PolarHBondContact ND2-OG 2.97Å; N109-S117 VanDerWaalsContact ND2-OG 3.17Å; N114-S117 PolarHBondContact O-N 2.69Å; S117-W119 PolarHBondContact OG-N 3.27Å; S117-H208 PolarHBondContact OG-O 2.86Å; S117-E210 VanDerWaalsContact CB-OE1 3.22Å; S117-E210 WeakPolarHBondContact CB-OE1 3.35Å; S117-E210 PolarHBondContact OG-OE1 2.86Å
118A86.6Confident88.4Confident0 Ų052 Ų520%025%0.254CS..SBendtrans-77.2-13165.800000111.8R24 R120 H208 W225R24-A118 HydrophobicContact CG-CB 4.18Å; R24-A118 PolarHBondContact NE-O 2.86Å; R24-A118 PolarHBondContact NH2-O 2.74Å; A118-R120 PolarHBondContact O-N 3.41Å; A118-R120 VanDerWaalsContact O-N 3.08Å; A118-H208 WeakPolarHBondContact CB-O 3.44Å; A118-H208 PolarHBondContact N-O 3.24Å; A118-W225 HydrophobicContact CB-CD2 3.81Å; A118-W225 HydrophobicContact CB-CE3 4.4Å; A118-W225 HydrophobicContact CB-CG 3.92Å; A118-W225 HydrophobicContact CB-CZ2 4.28Å
119W88.2Confident88.6Confident66 Ų6644.2 Ų44.225%0.2522%0.218CC..SBendtrans-84.856175.9-158.8-99.7000111.5V27 T107 N109 S117 L122 H208V27-W119 HydrophobicContact CG1-CH2 4.19Å; V27-W119 HydrophobicContact CG1-CZ3 4.43Å; V27-W119 HydrophobicContact CG2-CZ3 4.4Å; T107-W119 PolarHBondContact OG1-O 3.38Å; N109-W119 WeakPolarHBondContact CB-O 3.49Å; N109-W119 PolarHBondContact ND2-O 3.14Å; S117-W119 PolarHBondContact OG-N 3.27Å; W119-L122 HydrophobicContact CD2-CD2 4.04Å; W119-L122 HydrophobicContact CE3-CD2 4.12Å; W119-L122 HydrophobicContact CG-CD2 4.46Å; W119-L122 HydrophobicContact CZ2-CD1 4.26Å; W119-L122 HydrophobicContact CZ3-CD2 4.42Å; W119-H208 HydrophobicContact CB-CB 4.37Å; W119-H208 WeakPolarHBondContact CB-ND1 3.34Å; W119-H208 AromaticContact CD1-CE1 3.96Å; W119-H208 AromaticContact CD2-CE1 3.67Å; W119-H208 AromaticContact CD2-ND1 3.99Å; W119-H208 AromaticContact CD2-NE2 3.99Å; W119-H208 AromaticContact CG-CE1 3.61Å; W119-H208 AromaticContact CG-ND1 3.58Å
120R89.8Confident88.8Confident10 Ų1043 Ų434%0.03821%0.211CC..SBendtrans-141.6156.1173.877.4-179.1-166.398.4-8.8108R24 N109 D110 N114 L115 A118 L122 L126 W225 P227 E230R24-R120 PolarHBondContact NH2-O 2.9Å; N109-R120 HydrophobicContact CB-CB 4.01Å; D110-R120 WeakPolarHBondContact OD1-CA 3.47Å; D110-R120 WeakPolarHBondContact OD1-CB 3.32Å; N114-R120 WeakPolarHBondContact O-CD 3.25Å; L115-R120 VanDerWaalsContact CD2-NH2 3.25Å; A118-R120 PolarHBondContact O-N 3.41Å; A118-R120 VanDerWaalsContact O-N 3.08Å; R120-L122 PolarHBondContact O-N 3.29Å; R120-L126 HydrophobicContact CG-CD1 3.74Å; R120-L126 WeakPolarHBondContact O-CD1 3.3Å; R120-W225 VanDerWaalsContact CZ-O 3.31Å; R120-W225 PolarHBondContact NE-O 3.34Å; R120-W225 VanDerWaalsContact NE-O 3.14Å; R120-W225 PolarHBondContact NH2-O 3.05Å; R120-P227 VanDerWaalsContact NH2-CD 3.3Å; R120-E230 IonicContact CZ-OE2 3.94Å; R120-E230 IonicContact NH1-OE1 3.83Å; R120-E230 IonicContact NH1-OE2 3.86Å; R120-E230 IonicContact NH2-OE2 3.03Å; R120-E230 PolarHBondContact NH2-OE2 2.95Å
121V88.6Confident88.8Confident28 Ų2844.7 Ų44.717%0.1722%0.218CC..  trans48.460.8174.4-168.90000110.4R24 D110 D123 K124 L126R24-V121 PolarHBondContact NH2-O 3.36Å; D110-V121 WeakPolarHBondContact OD1-CG2 3.33Å; D110-V121 PolarHBondContact OD1-N 2.84Å; D110-V121 PolarHBondContact OD2-N 2.82Å; V121-D123 WeakPolarHBondContact CG1-OD1 3.46Å; V121-D123 PolarHBondContact O-N 3.19Å; V121-K124 HydrophobicContact CG1-CB 4.01Å; V121-K124 HydrophobicContact CG1-CD 4.15Å; V121-K124 HydrophobicContact CG1-CG 4.39Å; V121-K124 PolarHBondContact O-N 3.45Å; V121-K124 VanDerWaalsContact O-O 3.09Å; V121-L126 HydrophobicContact CB-CD2 4.49Å
122L90.2Very high88.2Confident8 Ų839 Ų394%0.04220%0.195CC..THydrogen-bonded Turntrans-69.6-17.8-170.1-64-178.3000113.4V27 I28 T107 W119 R120V27-L122 HydrophobicContact CB-CB 4.27Å; V27-L122 HydrophobicContact CB-CD2 4.23Å; V27-L122 HydrophobicContact CG2-CD2 4.04Å; V27-L122 PolarHBondContact N-O 3.16Å; I28-L122 HydrophobicContact CB-CB 4.26Å; I28-L122 HydrophobicContact CD1-CB 3.76Å; I28-L122 HydrophobicContact CD1-CD1 3.54Å; I28-L122 HydrophobicContact CD1-CG 4.31Å; I28-L122 HydrophobicContact CG1-CB 3.85Å; I28-L122 HydrophobicContact CG1-CD1 4.19Å; I28-L122 PolarHBondContact N-O 3.23Å; T107-L122 HydrophobicContact CG2-CD1 3.56Å; T107-L122 HydrophobicContact CG2-CG 3.96Å; W119-L122 HydrophobicContact CD2-CD2 4.04Å; W119-L122 HydrophobicContact CE3-CD2 4.12Å; W119-L122 HydrophobicContact CG-CD2 4.46Å; W119-L122 HydrophobicContact CZ2-CD1 4.26Å; W119-L122 HydrophobicContact CZ3-CD2 4.42Å; R120-L122 PolarHBondContact O-N 3.29Å
123D90.3Very high87.1Confident51 Ų5139.5 Ų39.527%0.27320%0.197SC..THydrogen-bonded Turntrans-75.5-22.717865.4-34.3000113.4A26 V121A26-D123 WeakPolarHBondContact CB-O 3.49Å; V121-D123 WeakPolarHBondContact CG1-OD1 3.46Å; V121-D123 PolarHBondContact O-N 3.19Å
124K90.6Very high85.8Confident86 Ų8639.9 Ų39.937%0.37420%0.196SC..SBendtrans-122.2154.6-174.6-67.4170.9-170.8167.30112.2R24 V121R24-K124 PolarHBondContact NH1-O 2.95Å; R24-K124 PolarHBondContact NH2-O 3.29Å; V121-K124 HydrophobicContact CG1-CB 4.01Å; V121-K124 HydrophobicContact CG1-CD 4.15Å; V121-K124 HydrophobicContact CG1-CG 4.39Å; V121-K124 PolarHBondContact O-N 3.45Å; V121-K124 VanDerWaalsContact O-O 3.09Å
125P92.2Very high84.6Confident26 Ų2638.5 Ų38.517%0.16919%0.189CC..  trans-68.6139.417129.6-34.4000111.3R24 Y127R24-P125 VanDerWaalsContact O-CA 3.24Å; R24-P125 WeakPolarHBondContact O-CA 3.27Å; P125-Y127 HydrophobicContact CG-CE2 4.4Å
126L92.5Very high83.2Confident0 Ų038.9 Ų38.90%019%0.193CC..EExtended strand (participates in β ladder)trans-106.4147.8172.1-68.2177.4000111.3R23 R24 R120 V121 W225 P227R23-L126 CarbonylContact C-O 3.59Å; R23-L126 VanDerWaalsContact CA-O 3.31Å; R23-L126 WeakPolarHBondContact CA-O 3.35Å; R24-L126 HydrophobicContact CB-CB 4.35Å; R24-L126 PolarHBondContact N-O 2.9Å; R24-L126 PolarHBondContact O-N 3.37Å; R24-L126 VanDerWaalsContact O-N 3.07Å; R120-L126 HydrophobicContact CG-CD1 3.74Å; R120-L126 WeakPolarHBondContact O-CD1 3.3Å; V121-L126 HydrophobicContact CB-CD2 4.49Å; L126-W225 HydrophobicContact CB-CB 4.29Å; L126-W225 HydrophobicContact CB-CE3 4.04Å; L126-W225 HydrophobicContact CD1-CB 3.97Å; L126-P227 HydrophobicContact CD2-CB 3.9Å; L126-P227 HydrophobicContact CD2-CG 4.24Å; L126-P227 VanDerWaalsContact CD2-N 3.3Å
127Y92.5Very high81.9Confident5 Ų535 Ų352%0.0218%0.18CC..EExtended strand (participates in β ladder)trans-116.5134.5-179.6-58.9-90.4000110I22 R23 P125 W225 V226 R228 A248 I249I22-Y127 WeakPolarHBondContact O-CA 3.4Å; R23-Y127 HydrophobicContact CG-CD1 3.76Å; R23-Y127 HydrophobicContact CG-CE1 3.71Å; P125-Y127 HydrophobicContact CG-CE2 4.4Å; Y127-W225 WeakPolarHBondContact O-CA 3.46Å; Y127-V226 WeakPolarHBondContact CD2-O 3.46Å; Y127-V226 PolarHBondContact N-O 3.31Å; Y127-V226 PolarHBondContact O-N 3.19Å; Y127-R228 HydrophobicContact CE2-CB 4.12Å; Y127-A248 HydrophobicContact CD1-CB 4.27Å; Y127-A248 HydrophobicContact CE1-CB 3.51Å; Y127-A248 HydrophobicContact CE2-CB 4.22Å; Y127-A248 WeakPolarHBondContact OH-CA 3.39Å; Y127-A248 WeakPolarHBondContact OH-CB 3.15Å; Y127-I249 PolarHBondContact OH-N 3.48Å; Y127-I249 PolarHBondContact OH-O 3.41Å
128L92Very high80.6Confident0 Ų040.5 Ų40.50%022%0.218CC..EExtended strand (participates in β ladder)trans-81.1121.2176.8-172.363.8000110.8I22 V130 L142 L164 L212 Y223 W225I22-L128 HydrophobicContact CB-CB 3.95Å; I22-L128 HydrophobicContact CB-CD2 4.33Å; I22-L128 HydrophobicContact CD1-CD2 3.73Å; I22-L128 HydrophobicContact CG2-CB 4.38Å; I22-L128 PolarHBondContact O-N 2.96Å; L128-V130 HydrophobicContact CD2-CG1 4.47Å; L128-V130 HydrophobicContact CG-CG1 4.34Å; L128-L142 VanDerWaalsContact O-CD2 3.28Å; L128-L142 WeakPolarHBondContact O-CD2 3.31Å; L128-L164 HydrophobicContact CD2-CD2 3.85Å; L128-L212 HydrophobicContact CD1-CD1 3.66Å; L128-L212 HydrophobicContact CD2-CD1 4.04Å; L128-L212 HydrophobicContact CD2-CD2 4.06Å; L128-Y223 HydrophobicContact CD1-CD2 4.04Å; L128-Y223 HydrophobicContact CD1-CG 4.31Å; L128-W225 HydrophobicContact CB-CD2 4.46Å; L128-W225 HydrophobicContact CB-CE3 4.08Å; L128-W225 HydrophobicContact CB-CH2 4.02Å; L128-W225 HydrophobicContact CB-CZ2 4.37Å; L128-W225 HydrophobicContact CB-CZ3 3.85Å; L128-W225 HydrophobicContact CD1-CD2 3.95Å; L128-W225 HydrophobicContact CD1-CE3 4.41Å; L128-W225 HydrophobicContact CD1-CG 4.38Å; L128-W225 HydrophobicContact CD1-CH2 4.42Å; L128-W225 HydrophobicContact CD1-CZ2 3.92Å; L128-W225 HydrophobicContact CD2-CZ2 4.45Å; L128-W225 HydrophobicContact CG-CZ2 4.49Å
129L91.2Very high80.1Confident1 Ų141.1 Ų41.11%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-107.8144165.1-59.8177000109.6W140 L142 Y223 I224 V226 L231 F234 V235L129-W140 HydrophobicContact CB-CB 4.45Å; L129-W140 HydrophobicContact CB-CE3 4.19Å; L129-W140 HydrophobicContact CD1-CB 4.33Å; L129-L142 HydrophobicContact CD2-CD2 4.05Å; L129-Y223 CarbonylContact O-C 3.58Å; L129-Y223 VanDerWaalsContact O-CA 3.23Å; L129-Y223 WeakPolarHBondContact O-CA 3.48Å; L129-I224 HydrophobicContact CB-CD1 4.29Å; L129-I224 HydrophobicContact CB-CG1 3.8Å; L129-I224 HydrophobicContact CD1-CD1 4.26Å; L129-I224 PolarHBondContact N-O 3.3Å; L129-I224 PolarHBondContact O-N 3.11Å; L129-V226 HydrophobicContact CD1-CB 4.43Å; L129-V226 HydrophobicContact CD1-CG2 4.15Å; L129-L231 HydrophobicContact CD1-CD2 3.89Å; L129-L231 HydrophobicContact CD2-CD2 4.2Å; L129-L231 HydrophobicContact CG-CD2 4.21Å; L129-F234 HydrophobicContact CD1-CB 3.79Å; L129-F234 HydrophobicContact CD1-CG 4.36Å; L129-V235 HydrophobicContact CD1-CG2 4.22Å; L129-V235 HydrophobicContact CD2-CG2 4.41Å
130V89.8Confident80Confident2 Ų240.5 Ų40.51%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-123148.5178.1-63.40000111L128 N141 P143 L164 I220 N222L128-V130 HydrophobicContact CD2-CG1 4.47Å; L128-V130 HydrophobicContact CG-CG1 4.34Å; V130-N141 WeakPolarHBondContact CG2-O 3.49Å; V130-N141 PolarHBondContact N-O 2.82Å; V130-N141 PolarHBondContact O-N 2.8Å; V130-N141 VanDerWaalsContact O-O 3.08Å; V130-P143 HydrophobicContact CB-CG 4.48Å; V130-P143 HydrophobicContact CG1-CG 3.81Å; V130-P143 HydrophobicContact CG2-CB 4.16Å; V130-P143 HydrophobicContact CG2-CG 3.81Å; V130-L164 HydrophobicContact CG1-CD2 4.46Å; V130-I220 HydrophobicContact CB-CD1 4.49Å; V130-I220 HydrophobicContact CB-CG1 4.34Å; V130-I220 HydrophobicContact CB-CG2 3.82Å; V130-I220 HydrophobicContact CG1-CD1 4.25Å; V130-I220 HydrophobicContact CG1-CG2 3.87Å; V130-I220 HydrophobicContact CG2-CG1 4.46Å; V130-N222 WeakPolarHBondContact CA-O 3.34Å
131Q85.6Confident79.8Confident72 Ų7240.2 Ų40.234%0.33622%0.221SC..EExtended strand (participates in β ladder)trans-104.5116.2170.6-170.1-179.723.200108W140 N221 N222Q131-W140 HydrophobicContact CB-CD2 4.37Å; Q131-W140 HydrophobicContact CB-CE3 3.97Å; Q131-W140 HydrophobicContact CB-CH2 4.09Å; Q131-W140 HydrophobicContact CB-CZ2 4.47Å; Q131-W140 HydrophobicContact CB-CZ3 3.82Å; Q131-N221 PolarHBondContact O-N 2.99Å; Q131-N222 HydrophobicContact CB-CB 4.14Å; Q131-N222 PolarHBondContact N-O 2.8Å; Q131-N222 PolarHBondContact OE1-ND2 2.78Å
132S75.2Confident79.9Confident15 Ų1539 Ų3911%0.10521%0.214CC..  trans-121.8132.1172.31730000109K134 N135 F218 N219S132-K134 PolarHBondContact O-N 2.86Å; S132-K134 PolarHBondContact OG-N 2.89Å; S132-N135 PolarHBondContact O-N 3.18Å; S132-F218 PolarHBondContact OG-O 3.08Å; S132-N219 PolarHBondContact OG-O 3.46Å
133P62.6Low79.9Confident88 Ų8838.8 Ų38.857%0.57121%0.213SC*.THydrogen-bonded Turntrans-68.5-20.2178.928.3-31.4000112.1N219P133-N219 WeakPolarHBondContact CD-O 3.31Å
134K58.1Low79.8Confident167 Ų16737.4 Ų37.473%0.72621%0.205SC*.THydrogen-bonded Turntrans-97.27.7-179.4-65.1-174.2178.9176.20113.5S132 N219S132-K134 PolarHBondContact O-N 2.86Å; S132-K134 PolarHBondContact OG-N 2.89Å; K134-N219 PolarHBondContact NZ-ND2 3.38Å
135N59.6Low79.8Confident24 Ų2433.4 Ų33.413%0.12819%0.188CC..SBendtrans-78.1145.3-174.8-140.4-23.5000111.7S132 S137S132-N135 PolarHBondContact O-N 3.18Å; N135-S137 CarbonylContact O-C 3.56Å; N135-S137 PolarHBondContact O-N 3.07Å
136V57.7Low79.7Confident59 Ų5935.5 Ų35.536%0.35820%0.202SC..SBendtrans-53.9-24.1-177-179.60000112.5F17 T184 T194F17-V136 HydrophobicContact CZ-CG2 4.36Å; V136-T184 HydrophobicContact CG1-CG2 4.08Å; V136-T194 HydrophobicContact CG2-CG2 4.42Å
137S58.5Low79.5Confident28 Ų2838.1 Ų38.120%0.19622%0.215CC..SBendtrans-122.2120.7171.446.50000109.9N135 G139 N141N135-S137 CarbonylContact O-C 3.56Å; N135-S137 PolarHBondContact O-N 3.07Å; S137-G139 PolarHBondContact O-N 2.87Å; S137-N141 PolarHBondContact O-ND2 3.29Å; S137-N141 PolarHBondContact OG-ND2 3Å; S137-N141 PolarHBondContact OG-OD1 2.69Å
138S60.5Low79.1Confident114 Ų11441 Ų4180%0.79724%0.236SC*.SBendtrans-66.573.9176.1-47.70000112.3K236S138-K236 PolarHBondContact O-NZ 3.39Å
139G76.3Confident78.5Confident14 Ų1449.2 Ų49.214%0.14428%0.28CS..SBendtrans-175-171.2-177.500000113.1S137 N141S137-G139 PolarHBondContact O-N 2.87Å; G139-N141 PolarHBondContact O-ND2 3.46Å
140W85.6Confident78.3Confident52 Ų5253.2 Ų53.220%0.19732%0.322CS..EExtended strand (participates in β ladder)trans-73.8126.3173.9-67.199.6000110.5L129 Q131 N222 I224 F234L129-W140 HydrophobicContact CB-CB 4.45Å; L129-W140 HydrophobicContact CB-CE3 4.19Å; L129-W140 HydrophobicContact CD1-CB 4.33Å; Q131-W140 HydrophobicContact CB-CD2 4.37Å; Q131-W140 HydrophobicContact CB-CE3 3.97Å; Q131-W140 HydrophobicContact CB-CH2 4.09Å; Q131-W140 HydrophobicContact CB-CZ2 4.47Å; Q131-W140 HydrophobicContact CB-CZ3 3.82Å; W140-N222 HydrophobicContact CH2-CB 3.77Å; W140-N222 HydrophobicContact CZ3-CB 4.27Å; W140-I224 HydrophobicContact CD2-CD1 3.72Å; W140-I224 HydrophobicContact CD2-CG1 4.24Å; W140-I224 HydrophobicContact CE3-CD1 3.73Å; W140-I224 HydrophobicContact CE3-CG1 3.71Å; W140-I224 HydrophobicContact CG-CD1 4.26Å; W140-I224 HydrophobicContact CH2-CB 4.44Å; W140-I224 HydrophobicContact CH2-CD1 4.21Å; W140-I224 HydrophobicContact CH2-CG1 4.13Å; W140-I224 HydrophobicContact CH2-CG2 3.65Å; W140-I224 HydrophobicContact CZ2-CD1 4.21Å; W140-I224 HydrophobicContact CZ2-CG2 4.19Å; W140-I224 HydrophobicContact CZ3-CB 4.28Å; W140-I224 HydrophobicContact CZ3-CD1 3.98Å; W140-I224 HydrophobicContact CZ3-CG1 3.65Å; W140-I224 HydrophobicContact CZ3-CG2 3.98Å; W140-F234 HydrophobicContact CB-CB 3.96Å; W140-F234 AromaticContact CD1-CD1 3.85Å; W140-F234 HydrophobicContact CG-CB 4.1Å; W140-F234 HydrophobicContact CG-CD1 4.29Å; W140-F234 AromaticContact NE1-CD1 3.95Å
141N87.2Confident78.3Confident4 Ų458.1 Ų58.12%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-142.1175.2178.5-59-74.3000110.4V130 S137 G139 L240V130-N141 WeakPolarHBondContact CG2-O 3.49Å; V130-N141 PolarHBondContact N-O 2.82Å; V130-N141 PolarHBondContact O-N 2.8Å; V130-N141 VanDerWaalsContact O-O 3.08Å; S137-N141 PolarHBondContact O-ND2 3.29Å; S137-N141 PolarHBondContact OG-ND2 3Å; S137-N141 PolarHBondContact OG-OD1 2.69Å; G139-N141 PolarHBondContact O-ND2 3.46Å; N141-L240 WeakPolarHBondContact OD1-CD2 3.35Å
142L89.9Confident78.6Confident3 Ų358.5 Ų58.52%0.01635%0.347CS..  trans-68.9156167.5-69.7-177.3000111.1L20 C21 L128 L129 I144 F198 L244 F247L20-L142 WeakPolarHBondContact O-CB 3.14Å; C21-L142 HydrophobicContact CB-CD1 3.88Å; L128-L142 VanDerWaalsContact O-CD2 3.28Å; L128-L142 WeakPolarHBondContact O-CD2 3.31Å; L129-L142 HydrophobicContact CD2-CD2 4.05Å; L142-I144 WeakPolarHBondContact O-CG1 3.32Å; L142-I144 PolarHBondContact O-N 3.17Å; L142-F198 HydrophobicContact CB-CD1 4.43Å; L142-F198 HydrophobicContact CB-CE1 3.94Å; L142-F198 HydrophobicContact CD1-CD1 3.55Å; L142-F198 HydrophobicContact CD1-CE1 3.6Å; L142-F198 HydrophobicContact CD1-CG 4.29Å; L142-F198 HydrophobicContact CD1-CZ 4.35Å; L142-F198 HydrophobicContact CG-CE1 4.31Å; L142-L244 HydrophobicContact CD1-CD2 3.33Å; L142-L244 HydrophobicContact CG-CD2 3.86Å; L142-F247 HydrophobicContact CD1-CZ 4.12Å
143P89.8Confident79.4Confident4 Ų459.8 Ų59.83%0.02635%0.352CS..  trans-58.3123.4168.5-21.830.6000110.5G19 L20 I22 V130 I160 L164G19-P143 CarbonylContact C-O 3.56Å; G19-P143 VanDerWaalsContact CA-O 3.26Å; G19-P143 WeakPolarHBondContact CA-O 3.24Å; L20-P143 HydrophobicContact CB-CB 4.49Å; L20-P143 PolarHBondContact N-O 2.96Å; L20-P143 WeakPolarHBondContact O-CD 3.47Å; I22-P143 HydrophobicContact CD1-CG 4.29Å; V130-P143 HydrophobicContact CB-CG 4.48Å; V130-P143 HydrophobicContact CG1-CG 3.81Å; V130-P143 HydrophobicContact CG2-CB 4.16Å; V130-P143 HydrophobicContact CG2-CG 3.81Å; P143-I160 HydrophobicContact CB-CG2 3.76Å; P143-L164 HydrophobicContact CB-CD2 4.03Å; P143-L164 HydrophobicContact CG-CD2 3.58Å
144I89.5Confident80.8Confident22 Ų2258.5 Ų58.511%0.11334%0.336CS..EExtended strand (participates in β ladder)trans-135.2142.2-176.1-63.9157.3000108.3F17 S18 L142 I196 F198F17-I144 HydrophobicContact CB-CG2 3.58Å; F17-I144 HydrophobicContact CD1-CG2 3.72Å; F17-I144 HydrophobicContact CG-CG2 4.01Å; S18-I144 CarbonylContact O-C 3.58Å; S18-I144 WeakPolarHBondContact O-CA 3.43Å; L142-I144 WeakPolarHBondContact O-CG1 3.32Å; L142-I144 PolarHBondContact O-N 3.17Å; I144-I196 HydrophobicContact CD1-CD1 4.06Å; I144-I196 HydrophobicContact CD1-CG2 4.1Å; I144-I196 HydrophobicContact CG1-CG2 4.02Å; I144-I196 HydrophobicContact CG2-CG1 4.22Å; I144-I196 HydrophobicContact CG2-CG2 4.24Å; I144-F198 HydrophobicContact CD1-CE1 4.33Å; I144-F198 HydrophobicContact CG1-CE1 4.21Å
145A89.2Confident82.5Confident2 Ų255 Ų552%0.01732%0.323CS..EExtended strand (participates in β ladder)trans-136.6146.9171.300000112F17 S18 V156 I160 F218F17-A145 CarbonylContact C-O 3.53Å; F17-A145 VanDerWaalsContact CA-O 3.29Å; F17-A145 WeakPolarHBondContact CA-O 3.45Å; F17-A145 VanDerWaalsContact CD1-C 3.47Å; S18-A145 PolarHBondContact N-O 2.92Å; S18-A145 PolarHBondContact O-N 3.27Å; A145-V156 HydrophobicContact CB-CG1 3.93Å; A145-I160 HydrophobicContact CB-CD1 3.53Å; A145-I160 HydrophobicContact CB-CG1 3.64Å; A145-F218 HydrophobicContact CB-CD1 3.75Å; A145-F218 HydrophobicContact CB-CE1 3.35Å; A145-F218 HydrophobicContact CB-CZ 4.22Å
146P89.8Confident84.1Confident70 Ų7054.1 Ų54.146%0.45532%0.318SS..EExtended strand (participates in β ladder)trans-66.6147174.228.3-33.7000110.3F17 S148F17-P146 VanDerWaalsContact CD1-CA 3.42Å; F17-P146 HydrophobicContact CD1-CB 3.9Å; F17-P146 VanDerWaalsContact CD1-N 3.29Å; F17-P146 HydrophobicContact CE1-CB 3.67Å; F17-P146 HydrophobicContact CE1-CG 4.24Å; F17-P146 HydrophobicContact CZ-CB 4.22Å; P146-S148 PolarHBondContact O-N 3.36Å
147I89.7Confident85.7Confident55 Ų5551.3 Ų51.328%0.28230%0.301SS..PPolyproline II helixtrans-65.9134.2168.1-63.5-174.4000108.8I16 L153I16-I147 HydrophobicContact CB-CD1 3.76Å; I16-I147 HydrophobicContact CB-CG1 4.25Å; I16-I147 HydrophobicContact CG2-CD1 3.27Å; I16-I147 HydrophobicContact CG2-CG1 3.97Å; I16-I147 PolarHBondContact O-N 3.38Å; I147-L153 HydrophobicContact CD1-CD2 3.48Å; I147-L153 VanDerWaalsContact CD1-CD2 3.48Å; I147-L153 HydrophobicContact CD1-CG 3.89Å; I147-L153 HydrophobicContact CG1-CD2 4.01Å
148S84.1Confident87.3Confident64 Ų6453 Ų5345%0.44831%0.308SS..PPolyproline II helixtrans-99.5149168.4-48.10000109.9P146 G150 K151P146-S148 PolarHBondContact O-N 3.36Å; S148-G150 PolarHBondContact O-N 2.78Å; S148-K151 PolarHBondContact O-N 3.09Å; S148-K151 VanDerWaalsContact O-N 3.15Å
149D78.8Confident88.8Confident174 Ų17449.8 Ų49.893%0.9329%0.285SS*.THydrogen-bonded Turntrans-52.2125.6-179.9-63.9-23.5000111.4
150G86.8Confident89.5Confident85 Ų8549.2 Ų49.288%0.87628%0.279SS*.THydrogen-bonded Turntrans89.7-7.6178.200000116.8S148S148-G150 PolarHBondContact O-N 2.78Å
151K89.8Confident89.7Confident104 Ų10446.7 Ų46.745%0.45227%0.269SS..  trans-98.8138.2175-67.8-174.4-179.9179.30112S148 Q155 V156S148-K151 PolarHBondContact O-N 3.09Å; S148-K151 VanDerWaalsContact O-N 3.15Å; K151-Q155 HydrophobicContact CB-CB 4.49Å; K151-V156 HydrophobicContact CB-CG2 3.84Å; K151-V156 HydrophobicContact CD-CG2 4.48Å
152N91.6Very high89.9Confident80 Ų8050.4 Ų50.443%0.42829%0.292SS..  trans-77.8161.1172.373.134000111.5R154 Q155 V156N152-R154 PolarHBondContact O-N 3.3Å; N152-R154 WeakPolarHBondContact OD1-CB 3.25Å; N152-R154 PolarHBondContact OD1-N 2.95Å; N152-R154 VanDerWaalsContact OD1-N 3.15Å; N152-Q155 PolarHBondContact O-N 2.88Å; N152-Q155 VanDerWaalsContact O-N 3.14Å; N152-Q155 VanDerWaalsContact OD1-CB 3.28Å; N152-Q155 WeakPolarHBondContact OD1-CB 3.43Å; N152-Q155 WeakPolarHBondContact OD1-CG 3.4Å; N152-Q155 PolarHBondContact OD1-N 2.95Å; N152-V156 WeakPolarHBondContact O-CG2 3.46Å; N152-V156 PolarHBondContact O-N 3.07Å
153L92.1Very high89.8Confident42 Ų4251.3 Ų51.322%0.2230%0.299CS..Hα-helixtrans-52.7-39.3179.9-83.6171.5000113.2I16 S18 I147 A157 Y197 F199I16-L153 HydrophobicContact CG2-CD2 4.16Å; S18-L153 PolarHBondContact OG-O 2.84Å; I147-L153 HydrophobicContact CD1-CD2 3.48Å; I147-L153 VanDerWaalsContact CD1-CD2 3.48Å; I147-L153 HydrophobicContact CD1-CG 3.89Å; I147-L153 HydrophobicContact CG1-CD2 4.01Å; L153-A157 WeakPolarHBondContact O-CB 3.26Å; L153-A157 PolarHBondContact O-N 2.82Å; L153-Y197 HydrophobicContact CD1-CD1 4.19Å; L153-Y197 HydrophobicContact CD1-CD2 4.02Å; L153-Y197 HydrophobicContact CD1-CE2 4.48Å; L153-Y197 HydrophobicContact CD1-CG 3.85Å; L153-Y197 HydrophobicContact CD2-CD2 3.96Å; L153-Y197 HydrophobicContact CD2-CG 4.18Å; L153-F199 HydrophobicContact CB-CE2 3.86Å; L153-F199 HydrophobicContact CB-CZ 3.76Å
154R93Very high89.7Confident62 Ų6251.1 Ų51.123%0.23430%0.297CS..Hα-helixtrans-70-38.8-179.2172.161.6-169.6-113.2-5.6112.3N152 A157 D158 I173 G175 N176 F199N152-R154 PolarHBondContact O-N 3.3Å; N152-R154 WeakPolarHBondContact OD1-CB 3.25Å; N152-R154 PolarHBondContact OD1-N 2.95Å; N152-R154 VanDerWaalsContact OD1-N 3.15Å; R154-A157 WeakPolarHBondContact O-CB 3.23Å; R154-A157 PolarHBondContact O-N 3.36Å; R154-D158 WeakPolarHBondContact O-CB 3.39Å; R154-D158 PolarHBondContact O-N 3.28Å; R154-I173 VanDerWaalsContact CZ-CB 3.5Å; R154-I173 PolarHBondContact NH1-O 3.21Å; R154-I173 PolarHBondContact NH2-O 3.21Å; R154-G175 PolarHBondContact NH1-O 2.94Å; R154-N176 PolarHBondContact NH1-OD1 3.45Å; R154-F199 HydrophobicContact CB-CE1 4.5Å
155Q93.1Very high89.7Confident94 Ų9450.2 Ų50.244%0.43929%0.293SS..Hα-helixtrans-70-36.7177.1-76.5166.7-18.100111.1K151 N152 D158 S159K151-Q155 HydrophobicContact CB-CB 4.49Å; N152-Q155 PolarHBondContact O-N 2.88Å; N152-Q155 VanDerWaalsContact O-N 3.14Å; N152-Q155 VanDerWaalsContact OD1-CB 3.28Å; N152-Q155 WeakPolarHBondContact OD1-CB 3.43Å; N152-Q155 WeakPolarHBondContact OD1-CG 3.4Å; N152-Q155 PolarHBondContact OD1-N 2.95Å; Q155-D158 PolarHBondContact O-N 2.7Å; Q155-S159 WeakPolarHBondContact O-CB 3.45Å; Q155-S159 PolarHBondContact O-N 3.06Å
156V92.3Very high89.6Confident5 Ų551.1 Ų51.13%0.0330%0.298CS..Hα-helixtrans-65.5-45.6172.3179.40000109.6A145 K151 N152 D158 S159 I160A145-V156 HydrophobicContact CB-CG1 3.93Å; K151-V156 HydrophobicContact CB-CG2 3.84Å; K151-V156 HydrophobicContact CD-CG2 4.48Å; N152-V156 WeakPolarHBondContact O-CG2 3.46Å; N152-V156 PolarHBondContact O-N 3.07Å; V156-D158 VanDerWaalsContact C-N 3.32Å; V156-D158 PolarHBondContact O-N 3.4Å; V156-S159 WeakPolarHBondContact O-CB 3.46Å; V156-S159 PolarHBondContact O-N 3.47Å; V156-I160 HydrophobicContact CG1-CD1 4.36Å; V156-I160 VanDerWaalsContact O-CG1 3.3Å; V156-I160 WeakPolarHBondContact O-CG1 3.34Å; V156-I160 PolarHBondContact O-N 2.95Å
157A92.7Very high89.4Confident0 Ų053.4 Ų53.40%032%0.316CS..Hα-helixtrans-55.9-45.7172.600000111.9L20 L153 R154 S159 I160 A161 I173 F199L20-A157 WeakPolarHBondContact CD1-O 3.37Å; L20-A157 HydrophobicContact CD2-CB 3.43Å; L20-A157 VanDerWaalsContact CD2-CB 3.43Å; L20-A157 HydrophobicContact CG-CB 4.43Å; L153-A157 WeakPolarHBondContact O-CB 3.26Å; L153-A157 PolarHBondContact O-N 2.82Å; R154-A157 WeakPolarHBondContact O-CB 3.23Å; R154-A157 PolarHBondContact O-N 3.36Å; A157-S159 VanDerWaalsContact C-N 3.34Å; A157-S159 PolarHBondContact O-N 3.05Å; A157-I160 PolarHBondContact O-N 3.16Å; A157-A161 PolarHBondContact O-N 2.89Å; A157-I173 HydrophobicContact CB-CD1 4.21Å; A157-F199 HydrophobicContact CB-CB 4.36Å; A157-F199 HydrophobicContact CB-CD2 3.75Å; A157-F199 HydrophobicContact CB-CE2 4.32Å; A157-F199 HydrophobicContact CB-CG 4.11Å
158D92.5Very high89.3Confident64 Ų6456 Ų5634%0.34232%0.322SS..Hα-helixtrans-62.3-40.2177.3-16042.6000112.5R154 Q155 V156 A161 T162 W171 I173R154-D158 WeakPolarHBondContact O-CB 3.39Å; R154-D158 PolarHBondContact O-N 3.28Å; Q155-D158 PolarHBondContact O-N 2.7Å; V156-D158 VanDerWaalsContact C-N 3.32Å; V156-D158 PolarHBondContact O-N 3.4Å; D158-A161 PolarHBondContact O-N 2.88Å; D158-T162 WeakPolarHBondContact O-CB 3.28Å; D158-T162 PolarHBondContact O-N 2.87Å; D158-T162 PolarHBondContact O-OG1 2.98Å; D158-W171 WeakPolarHBondContact OD1-CH2 3.47Å; D158-W171 VanDerWaalsContact OD1-CZ3 3.25Å; D158-W171 WeakPolarHBondContact OD1-CZ3 3.5Å; D158-I173 HydrophobicContact CB-CD1 4.35Å
159S91Very high89.4Confident46 Ų4653 Ų5332%0.32230%0.301SS..Hα-helixtrans-65.4-38174.7-175.20000112.4Q155 V156 A157 S163Q155-S159 WeakPolarHBondContact O-CB 3.45Å; Q155-S159 PolarHBondContact O-N 3.06Å; V156-S159 WeakPolarHBondContact O-CB 3.46Å; V156-S159 PolarHBondContact O-N 3.47Å; A157-S159 VanDerWaalsContact C-N 3.34Å; A157-S159 PolarHBondContact O-N 3.05Å; S159-S163 VanDerWaalsContact O-CB 3.26Å; S159-S163 WeakPolarHBondContact O-CB 3.4Å; S159-S163 PolarHBondContact O-N 3.03Å; S159-S163 VanDerWaalsContact O-N 3.09Å
160I90.2Very high90Very high1 Ų152.1 Ų52.11%0.00529%0.289CS..Hα-helixtrans-65-46.3174.1-61163.3000109.4S18 L20 P143 A145 V156 A157 S163 L164 F218S18-I160 WeakPolarHBondContact O-CD1 3.17Å; L20-I160 HydrophobicContact CD1-CB 3.66Å; L20-I160 HydrophobicContact CD1-CG2 3.56Å; L20-I160 HydrophobicContact CG-CB 4.16Å; L20-I160 HydrophobicContact CG-CD1 4.4Å; L20-I160 HydrophobicContact CG-CG2 4.11Å; P143-I160 HydrophobicContact CB-CG2 3.76Å; A145-I160 HydrophobicContact CB-CD1 3.53Å; A145-I160 HydrophobicContact CB-CG1 3.64Å; V156-I160 HydrophobicContact CG1-CD1 4.36Å; V156-I160 VanDerWaalsContact O-CG1 3.3Å; V156-I160 WeakPolarHBondContact O-CG1 3.34Å; V156-I160 PolarHBondContact O-N 2.95Å; A157-I160 PolarHBondContact O-N 3.16Å; I160-S163 PolarHBondContact O-N 2.84Å; I160-L164 VanDerWaalsContact O-CB 3.23Å; I160-L164 WeakPolarHBondContact O-CB 3.49Å; I160-L164 PolarHBondContact O-N 2.84Å; I160-F218 HydrophobicContact CB-CE2 4.41Å; I160-F218 HydrophobicContact CG1-CE1 4.21Å; I160-F218 HydrophobicContact CG1-CE2 4.21Å; I160-F218 HydrophobicContact CG1-CZ 3.9Å
161A90.8Very high90.2Very high0 Ų050.9 Ų50.90%026%0.258CS..Hα-helixtrans-62.9-48.9-178.600000111.2L20 A157 D158 S163 L164 L165 W171 I173L20-A161 HydrophobicContact CD1-CB 3.75Å; A157-A161 PolarHBondContact O-N 2.89Å; D158-A161 PolarHBondContact O-N 2.88Å; A161-S163 VanDerWaalsContact C-N 3.29Å; A161-S163 PolarHBondContact O-N 2.69Å; A161-L164 PolarHBondContact O-N 3.46Å; A161-L165 HydrophobicContact CB-CD1 4.33Å; A161-L165 WeakPolarHBondContact O-CA 3.42Å; A161-L165 VanDerWaalsContact O-CB 3.26Å; A161-L165 WeakPolarHBondContact O-CB 3.45Å; A161-L165 PolarHBondContact O-N 3.45Å; A161-W171 HydrophobicContact CB-CD2 4.02Å; A161-W171 HydrophobicContact CB-CE3 3.77Å; A161-W171 HydrophobicContact CB-CH2 3.8Å; A161-W171 HydrophobicContact CB-CZ2 4.03Å; A161-W171 HydrophobicContact CB-CZ3 3.65Å; A161-I173 HydrophobicContact CB-CD1 4.49Å
162T90.6Very high90.3Very high82 Ų8249.1 Ų49.150%0.50326%0.258SS..Hα-helixtrans-61.5-37.6178.7-55.70000112.2D158 W171D158-T162 WeakPolarHBondContact O-CB 3.28Å; D158-T162 PolarHBondContact O-N 2.87Å; D158-T162 PolarHBondContact O-OG1 2.98Å; T162-W171 WeakPolarHBondContact OG1-CH2 3.32Å; T162-W171 WeakPolarHBondContact OG1-CZ2 3.41Å
163S88.3Confident90.4Very high21 Ų2145.7 Ų45.715%0.14724%0.24CC..Hα-helixtrans-69.7-49176.9-172.50000110.8S159 I160 A161 I213 N216S159-S163 VanDerWaalsContact O-CB 3.26Å; S159-S163 WeakPolarHBondContact O-CB 3.4Å; S159-S163 PolarHBondContact O-N 3.03Å; S159-S163 VanDerWaalsContact O-N 3.09Å; I160-S163 PolarHBondContact O-N 2.84Å; A161-S163 VanDerWaalsContact C-N 3.29Å; A161-S163 PolarHBondContact O-N 2.69Å; S163-I213 WeakPolarHBondContact O-CD1 3.23Å; S163-N216 PolarHBondContact O-ND2 3.17Å; S163-N216 VanDerWaalsContact OG-CB 3.25Å; S163-N216 WeakPolarHBondContact OG-CB 3.29Å; S163-N216 PolarHBondContact OG-ND2 3.45Å
164L88.1Confident90.3Very high0 Ų049.9 Ų49.90%026%0.256CS..Hα-helixtrans-78.2-40.3-170.9-178.557.9000113.6I22 L128 V130 P143 I160 A161 L212 I213 I220I22-L164 HydrophobicContact CD1-CD2 3.77Å; L128-L164 HydrophobicContact CD2-CD2 3.85Å; V130-L164 HydrophobicContact CG1-CD2 4.46Å; P143-L164 HydrophobicContact CB-CD2 4.03Å; P143-L164 HydrophobicContact CG-CD2 3.58Å; I160-L164 VanDerWaalsContact O-CB 3.23Å; I160-L164 WeakPolarHBondContact O-CB 3.49Å; I160-L164 PolarHBondContact O-N 2.84Å; A161-L164 PolarHBondContact O-N 3.46Å; L164-L212 HydrophobicContact CD1-CD2 3.89Å; L164-L212 HydrophobicContact CG-CD2 3.8Å; L164-L212 WeakPolarHBondContact O-CD2 3.49Å; L164-I213 PolarHBondContact O-N 3.25Å; L164-I213 VanDerWaalsContact O-N 3.12Å; L164-I220 HydrophobicContact CD1-CD1 3.71Å; L164-I220 HydrophobicContact CD2-CD1 4.15Å; L164-I220 HydrophobicContact CG-CD1 4.44Å
165L88.7Confident90.2Very high3 Ų349.1 Ų49.12%0.01627%0.268CS..SBendtrans-101.7123.8-170.7-62.4168.2000110.7I22 A161 A169 W171 V201 V203 W207 L212I22-L165 HydrophobicContact CD1-CD1 3.92Å; I22-L165 HydrophobicContact CD1-CD2 4.28Å; I22-L165 HydrophobicContact CD1-CG 4.18Å; I22-L165 HydrophobicContact CG1-CD1 4.24Å; I22-L165 HydrophobicContact CG2-CD1 4.3Å; I22-L165 HydrophobicContact CG2-CD2 4.32Å; A161-L165 HydrophobicContact CB-CD1 4.33Å; A161-L165 WeakPolarHBondContact O-CA 3.42Å; A161-L165 VanDerWaalsContact O-CB 3.26Å; A161-L165 WeakPolarHBondContact O-CB 3.45Å; A161-L165 PolarHBondContact O-N 3.45Å; L165-A169 HydrophobicContact CB-CB 4.35Å; L165-W171 VanDerWaalsContact CB-CD1 3.4Å; L165-W171 HydrophobicContact CB-CG 4.14Å; L165-W171 HydrophobicContact CD1-CB 3.71Å; L165-W171 HydrophobicContact CD1-CD2 4.25Å; L165-W171 HydrophobicContact CD1-CG 3.62Å; L165-V201 HydrophobicContact CD1-CG1 4.36Å; L165-V203 HydrophobicContact CD1-CG1 4.2Å; L165-V203 HydrophobicContact CD2-CG1 4.15Å; L165-W207 HydrophobicContact CD2-CH2 3.71Å; L165-W207 HydrophobicContact CD2-CZ3 3.73Å; L165-L212 HydrophobicContact CD2-CD2 3.7Å
166P87.4Confident90.1Very high21 Ų2150.5 Ų50.514%0.13628%0.279CS..  trans-67.9159.1175.432.8-39.5000111.2R168 A169 W207 D211P166-R168 HydrophobicContact CB-CG 4.03Å; P166-R168 HydrophobicContact CG-CG 3.73Å; P166-R168 PolarHBondContact O-N 3.18Å; P166-R168 VanDerWaalsContact O-N 3.07Å; P166-A169 HydrophobicContact CG-CB 4.46Å; P166-A169 VanDerWaalsContact O-CB 3.31Å; P166-A169 WeakPolarHBondContact O-CB 3.28Å; P166-A169 PolarHBondContact O-N 3.46Å; P166-W207 HydrophobicContact CG-CZ2 3.83Å; P166-D211 WeakPolarHBondContact CD-O 3.26Å; P166-D211 VanDerWaalsContact CG-O 3.27Å; P166-D211 WeakPolarHBondContact CG-O 3.45Å
167S85.1Confident90.1Very high118 Ų11855.5 Ų55.583%0.82531%0.309SS*.G310 helixtrans-55.7-31.3-178.7-48.80000113.8A169 K170S167-A169 PolarHBondContact O-N 2.77Å; S167-K170 PolarHBondContact O-N 2.88Å
168R87.8Confident90.1Very high110 Ų11057.4 Ų57.442%0.41532%0.322SS..G310 helixtrans-64.3-19.6176.767.8-172.5-171.4141.521.4114.5P166 K170 W207 D211P166-R168 HydrophobicContact CB-CG 4.03Å; P166-R168 HydrophobicContact CG-CG 3.73Å; P166-R168 PolarHBondContact O-N 3.18Å; P166-R168 VanDerWaalsContact O-N 3.07Å; R168-K170 PolarHBondContact O-N 3.13Å; R168-W207 VanDerWaalsContact NH2-NE1 3.14Å; R168-D211 VanDerWaalsContact CZ-CB 3.41Å; R168-D211 IonicContact CZ-OD1 2.69Å; R168-D211 VanDerWaalsContact CZ-OD1 3.29Å; R168-D211 IonicContact CZ-OD2 3.15Å; R168-D211 IonicContact NE-OD2 3.29Å; R168-D211 IonicContact NH1-OD1 3.86Å; R168-D211 PolarHBondContact NH1-OD1 2.87Å; R168-D211 IonicContact NH1-OD2 3.72Å; R168-D211 PolarHBondContact NH1-OD2 2.76Å; R168-D211 VanDerWaalsContact NH2-CA 3.35Å; R168-D211 IonicContact NH2-OD1 3.24Å; R168-D211 PolarHBondContact NH2-OD1 2.85Å; R168-D211 IonicContact NH2-OD2 2.67Å; R168-D211 PolarHBondContact NH2-OD2 3.01Å; R168-D211 VanDerWaalsContact NH2-OD2 3.15Å
169A87.4Confident90.1Very high0 Ų057.5 Ų57.50%032%0.324CS..G310 helixtrans-73.3-11.2178.800000113.2L165 P166 S167 W171 D204 W207L165-A169 HydrophobicContact CB-CB 4.35Å; P166-A169 HydrophobicContact CG-CB 4.46Å; P166-A169 VanDerWaalsContact O-CB 3.31Å; P166-A169 WeakPolarHBondContact O-CB 3.28Å; P166-A169 PolarHBondContact O-N 3.46Å; S167-A169 PolarHBondContact O-N 2.77Å; A169-W171 VanDerWaalsContact C-N 3.26Å; A169-W171 PolarHBondContact O-N 3.01Å; A169-W171 VanDerWaalsContact O-N 3.14Å; A169-D204 PolarHBondContact O-N 3.05Å; A169-W207 HydrophobicContact CB-CD2 3.58Å; A169-W207 HydrophobicContact CB-CE3 3.61Å; A169-W207 HydrophobicContact CB-CG 4.15Å; A169-W207 HydrophobicContact CB-CH2 4.05Å; A169-W207 HydrophobicContact CB-CZ2 4.06Å; A169-W207 HydrophobicContact CB-CZ3 3.84Å
170K89.8Confident90.2Very high157 Ų15755.8 Ų55.868%0.68331%0.313SS*.  trans38.154.9-179.1-61.8178.5-179.31710112.5S167 R168 D204S167-K170 PolarHBondContact O-N 2.88Å; R168-K170 PolarHBondContact O-N 3.13Å; K170-D204 HydrophobicContact CB-CB 4.25Å
171W91.9Very high90.2Very high58 Ų5858.8 Ų58.822%0.2233%0.331CS..  trans-80.5151.3-173.154.8-94.6000112D158 A161 T162 L165 A169 I173 V201 Y202 V203D158-W171 WeakPolarHBondContact OD1-CH2 3.47Å; D158-W171 VanDerWaalsContact OD1-CZ3 3.25Å; D158-W171 WeakPolarHBondContact OD1-CZ3 3.5Å; A161-W171 HydrophobicContact CB-CD2 4.02Å; A161-W171 HydrophobicContact CB-CE3 3.77Å; A161-W171 HydrophobicContact CB-CH2 3.8Å; A161-W171 HydrophobicContact CB-CZ2 4.03Å; A161-W171 HydrophobicContact CB-CZ3 3.65Å; T162-W171 WeakPolarHBondContact OG1-CH2 3.32Å; T162-W171 WeakPolarHBondContact OG1-CZ2 3.41Å; L165-W171 VanDerWaalsContact CB-CD1 3.4Å; L165-W171 HydrophobicContact CB-CG 4.14Å; L165-W171 HydrophobicContact CD1-CB 3.71Å; L165-W171 HydrophobicContact CD1-CD2 4.25Å; L165-W171 HydrophobicContact CD1-CG 3.62Å; A169-W171 VanDerWaalsContact C-N 3.26Å; A169-W171 PolarHBondContact O-N 3.01Å; A169-W171 VanDerWaalsContact O-N 3.14Å; W171-I173 HydrophobicContact CE3-CG1 4.27Å; W171-I173 HydrophobicContact CZ3-CD1 4.31Å; W171-I173 HydrophobicContact CZ3-CG1 4.1Å; W171-V201 HydrophobicContact CB-CG1 4.02Å; W171-V201 HydrophobicContact CE3-CG1 4.33Å; W171-Y202 CarbonylContact C-O 3.54Å; W171-Y202 WeakPolarHBondContact CA-O 3.48Å; W171-V203 HydrophobicContact CB-CG1 4.22Å
172C92.5Very high90.2Very high68 Ų6859.1 Ų59.146%0.45933%0.332SS..EExtended strand (participates in β ladder)trans-141.2130.7175.2-177.90000110.9V201 Y202C172-V201 WeakPolarHBondContact O-CA 3.47Å; C172-Y202 PolarHBondContact N-O 3.32Å; C172-Y202 PolarHBondContact O-N 3.41Å
173I92.7Very high90.1Very high7 Ų758.3 Ų58.34%0.03633%0.325CS..EExtended strand (participates in β ladder)trans-88.3119173.8-49.7-176.6000109L20 R154 A157 D158 A161 W171 G175 F199 N200 V201L20-I173 HydrophobicContact CD2-CD1 4.38Å; R154-I173 VanDerWaalsContact CZ-CB 3.5Å; R154-I173 PolarHBondContact NH1-O 3.21Å; R154-I173 PolarHBondContact NH2-O 3.21Å; A157-I173 HydrophobicContact CB-CD1 4.21Å; D158-I173 HydrophobicContact CB-CD1 4.35Å; A161-I173 HydrophobicContact CB-CD1 4.49Å; W171-I173 HydrophobicContact CE3-CG1 4.27Å; W171-I173 HydrophobicContact CZ3-CD1 4.31Å; W171-I173 HydrophobicContact CZ3-CG1 4.1Å; I173-G175 PolarHBondContact O-N 3.47Å; I173-F199 HydrophobicContact CG2-CB 4.05Å; I173-F199 HydrophobicContact CG2-CD1 4.45Å; I173-N200 WeakPolarHBondContact CA-O 3.37Å; I173-V201 HydrophobicContact CD1-CG2 4.4Å; I173-V201 HydrophobicContact CG1-CG1 4.21Å; I173-V201 HydrophobicContact CG1-CG2 3.83Å
174F89.8Confident89.8Confident130 Ų13058.9 Ų58.957%0.5733%0.327SS*.  trans-82.8117.7-178.9-92.3-105.9000111.6N200 Y202F174-N200 PolarHBondContact N-O 3.48Å; F174-N200 VanDerWaalsContact N-O 3.07Å; F174-Y202 HydrophobicContact CB-CD2 4.46Å; F174-Y202 HydrophobicContact CB-CE2 4.15Å; F174-Y202 AromaticContact CD2-CD2 3.24Å; F174-Y202 HydrophobicContact CD2-CD2 3.24Å; F174-Y202 AromaticContact CD2-CE2 3.59Å; F174-Y202 HydrophobicContact CD2-CE2 3.59Å; F174-Y202 HydrophobicContact CD2-CG 4.29Å; F174-Y202 AromaticContact CE2-CD2 3.56Å; F174-Y202 HydrophobicContact CE2-CD2 3.56Å; F174-Y202 HydrophobicContact CE2-CE2 4.06Å; F174-Y202 HydrophobicContact CE2-CG 4.24Å; F174-Y202 HydrophobicContact CG-CD2 4.02Å; F174-Y202 AromaticContact CG-CE2 3.89Å; F174-Y202 HydrophobicContact CG-CE2 3.89Å
175G91.2Very high89.3Confident47 Ų4760.8 Ų60.849%0.48534%0.343SS..  trans73.2161.8175.200000114.4R154 I173R154-G175 PolarHBondContact NH1-O 2.94Å; I173-G175 PolarHBondContact O-N 3.47Å
176N92.2Very high88.6Confident123 Ų12363 Ų6366%0.65836%0.355SS*.SBendtrans-95.8-5.2179.3-68.5-24000113R154 F199R154-N176 PolarHBondContact NH1-OD1 3.45Å; N176-F199 WeakPolarHBondContact O-CE1 3.48Å
177T92.3Very high87.6Confident110 Ų11073.7 Ų73.768%0.67539%0.393SS*.SBendtrans-96.2134.3-178-51.90000110.1
178P92.8Very high86.8Confident40 Ų4075.1 Ų75.126%0.2639%0.391SS..  trans-64.6138.7172.928-34.4000110.4Y197 F198 F199P178-Y197 HydrophobicContact CB-CD1 3.98Å; P178-Y197 HydrophobicContact CB-CG 4.45Å; P178-Y197 HydrophobicContact CG-CD1 3.71Å; P178-Y197 HydrophobicContact CG-CE1 4.49Å; P178-F198 CarbonylContact C-O 3.52Å; P178-F198 WeakPolarHBondContact CA-O 3.45Å; P178-F199 HydrophobicContact CB-CE1 4.32Å; P178-F199 HydrophobicContact CB-CE2 4.29Å; P178-F199 HydrophobicContact CB-CZ 4.04Å
179V92.2Very high85.7Confident66 Ų6676 Ų7640%0.440%0.398SS..SBendtrans-82.6-30.4-175-172.80000111.3F198 N200 F247V179-F198 PolarHBondContact N-O 2.97Å; V179-N200 HydrophobicContact CG2-CB 4.14Å; V179-F247 HydrophobicContact CB-CD2 4.45Å; V179-F247 HydrophobicContact CG1-CB 3.54Å; V179-F247 HydrophobicContact CG1-CD2 4.1Å; V179-F247 HydrophobicContact CG1-CG 4.09Å
180A91.8Very high84.6Confident10 Ų1085.2 Ų85.28%0.08344%0.441CS..EExtended strand (participates in β ladder)trans-150.3155.3178.900000111.6F198 T243 F247A180-F198 HydrophobicContact CB-CD2 4.29Å; A180-F198 PolarHBondContact O-N 3.45Å; A180-T243 HydrophobicContact CB-CG2 3.73Å; A180-F247 HydrophobicContact CB-CB 4.49Å; A180-F247 HydrophobicContact CB-CD1 3.34Å; A180-F247 HydrophobicContact CB-CE1 3.68Å; A180-F247 HydrophobicContact CB-CG 4.01Å
181V91.9Very high83.8Confident63 Ų6381.1 Ų81.138%0.38243%0.427SS..EExtended strand (participates in β ladder)trans-121.3132.8173.9-174.10000108.8L183 I196 Y197V181-L183 HydrophobicContact CG1-CD2 3.87Å; V181-L183 HydrophobicContact CG1-CG 4.24Å; V181-I196 CarbonylContact C-O 3.49Å; V181-I196 WeakPolarHBondContact CA-O 3.37Å; V181-Y197 HydrophobicContact CG1-CD1 4.42Å; V181-Y197 HydrophobicContact CG1-CE1 4.22Å; V181-Y197 HydrophobicContact CG2-CD1 3.51Å; V181-Y197 HydrophobicContact CG2-CE1 3.54Å; V181-Y197 HydrophobicContact CG2-CG 4.47Å
182W89.2Confident83.3Confident8 Ų879.2 Ų79.23%0.0342%0.421CS..EExtended strand (participates in β ladder)trans-117122.2170178.753.9000109.6T184 I196 F198 T239 L240 T243W182-T184 HydrophobicContact CH2-CG2 3.97Å; W182-T184 HydrophobicContact CZ2-CG2 4.15Å; W182-T184 HydrophobicContact CZ3-CG2 4.28Å; W182-I196 HydrophobicContact CD2-CD1 4.46Å; W182-I196 HydrophobicContact CE3-CB 4.36Å; W182-I196 HydrophobicContact CE3-CD1 3.28Å; W182-I196 HydrophobicContact CE3-CG1 4.37Å; W182-I196 HydrophobicContact CZ3-CD1 3.36Å; W182-I196 PolarHBondContact N-O 3.15Å; W182-I196 PolarHBondContact O-N 3.15Å; W182-F198 HydrophobicContact CB-CE2 3.71Å; W182-F198 HydrophobicContact CB-CZ 4.42Å; W182-T239 PolarHBondContact NE1-OG1 2.76Å; W182-L240 HydrophobicContact CD2-CB 4.23Å; W182-L240 HydrophobicContact CD2-CD1 3.85Å; W182-L240 HydrophobicContact CE3-CD1 3.84Å; W182-L240 HydrophobicContact CG-CD1 4.15Å; W182-L240 HydrophobicContact CZ2-CB 4.08Å; W182-L240 HydrophobicContact CZ3-CD1 4.4Å; W182-L240 HydrophobicContact CZ3-CD2 4.41Å; W182-T243 HydrophobicContact CB-CG2 4.21Å
183L88.3Confident82.9Confident65 Ų6576 Ų7634%0.3440%0.399SS..EExtended strand (participates in β ladder)trans-104.8127.7179.2-56.1172.8000108.5L8 W14 V181 Q195L8-L183 HydrophobicContact CD1-CB 3.67Å; L8-L183 HydrophobicContact CD1-CD1 4.05Å; W14-L183 HydrophobicContact CH2-CB 4.47Å; W14-L183 HydrophobicContact CH2-CD2 4.32Å; W14-L183 HydrophobicContact CZ3-CB 4.44Å; W14-L183 HydrophobicContact CZ3-CD2 4.1Å; V181-L183 HydrophobicContact CG1-CD2 3.87Å; V181-L183 HydrophobicContact CG1-CG 4.24Å; L183-Q195 HydrophobicContact CD2-CB 3.95Å; L183-Q195 HydrophobicContact CD2-CG 3.54Å
184T83.5Confident82.7Confident32 Ų3275.8 Ų75.820%0.19640%0.398CS..EExtended strand (participates in β ladder)trans-135.7139.3174.4-172.10000109.9V136 W182 G193 T194V136-T184 HydrophobicContact CG1-CG2 4.08Å; W182-T184 HydrophobicContact CH2-CG2 3.97Å; W182-T184 HydrophobicContact CZ2-CG2 4.15Å; W182-T184 HydrophobicContact CZ3-CG2 4.28Å; T184-G193 CarbonylContact O-C 3.57Å; T184-G193 WeakPolarHBondContact O-CA 3.42Å; T184-T194 HydrophobicContact CG2-CG2 4.22Å; T184-T194 PolarHBondContact N-O 3.06Å; T184-T194 PolarHBondContact O-N 3.01Å
185A78.1Confident82.7Confident41 Ų4171.1 Ų71.134%0.33938%0.379SS..EExtended strand (participates in β ladder)trans-74.3141.8167.800000109.1L8 I11L8-A185 HydrophobicContact CD2-CB 4.44Å; I11-A185 HydrophobicContact CD1-CB 4.17Å
186D73.2Confident82.7Confident50 Ų5068.9 Ų68.927%0.26736%0.356SS..  trans-74.2137.8169.7-160.5-16.2000108.7N188 T192D186-N188 PolarHBondContact OD1-N 3.46Å; D186-T192 WeakPolarHBondContact CB-O 3.37Å; D186-T192 PolarHBondContact N-O 2.89Å
187R66.8Low82.8Confident244 Ų24465.6 Ų65.692%0.92133%0.334SS*.SBendtrans-80.1-23.1-178.5-69.3-175.4-179.9-178.8-1.3112.5
188N66.7Low82.9Confident148 Ų14860.3 Ų60.379%0.79130%0.302SS*.SBendtrans-96.6-15.5-168.7-66.1-12.9000113.5D186D186-N188 PolarHBondContact OD1-N 3.46Å
189K66.3Low82.9Confident129 Ų12958.5 Ų58.556%0.56129%0.29SS*.SBendtrans-134.6108.6-174.3-76-179.4-177.1-179.40109.1T192K189-T192 HydrophobicContact CB-CG2 4.45Å; K189-T192 WeakPolarHBondContact CB-OG1 3.45Å; K189-T192 PolarHBondContact O-N 3.02Å; K189-T192 PolarHBondContact O-OG1 2.71Å
190E64.2Low83Confident193 Ų19356.1 Ų56.190%0.90228%0.275SS*.THydrogen-bonded Turntrans-55.7141169.9-60.9-177.8169.100108.9T192E190-T192 VanDerWaalsContact C-N 3.34Å; E190-T192 PolarHBondContact O-N 2.78Å
191D71.9Confident83Confident72 Ų7255.7 Ų55.739%0.38527%0.271SS..THydrogen-bonded Turntrans68.75.2-174.8-64.12.6000118.3K12 N13K12-D191 PolarHBondContact N-O 3.25Å; K12-D191 VanDerWaalsContact N-O 3.12Å; K12-D191 IonicContact NZ-OD2 2.85Å; K12-D191 PolarHBondContact NZ-OD2 3.41Å; N13-D191 PolarHBondContact N-O 3.38Å; N13-D191 VanDerWaalsContact N-O 3.11Å
192T81.9Confident83Confident17 Ų1756.2 Ų56.210%0.10427%0.267CS..EExtended strand (participates in β ladder)trans-111.3134.9173.850.80000114.3N13 D186 K189 E190N13-T192 HydrophobicContact CB-CG2 3.65Å; N13-T192 CarbonylContact O-C 3.59Å; N13-T192 WeakPolarHBondContact O-CA 3.37Å; D186-T192 WeakPolarHBondContact CB-O 3.37Å; D186-T192 PolarHBondContact N-O 2.89Å; K189-T192 HydrophobicContact CB-CG2 4.45Å; K189-T192 WeakPolarHBondContact CB-OG1 3.45Å; K189-T192 PolarHBondContact O-N 3.02Å; K189-T192 PolarHBondContact O-OG1 2.71Å; E190-T192 VanDerWaalsContact C-N 3.34Å; E190-T192 PolarHBondContact O-N 2.78Å
193G84.3Confident83.2Confident0 Ų056.1 Ų56.10%027%0.267CS..EExtended strand (participates in β ladder)trans-121.8164174.800000111.8N13 W14 N15 T184N13-G193 PolarHBondContact O-N 3.22Å; W14-G193 CarbonylContact C-O 3.57Å; W14-G193 WeakPolarHBondContact CA-O 3.41Å; W14-G193 VanDerWaalsContact CE3-C 3.46Å; N15-G193 PolarHBondContact N-O 3.37Å; T184-G193 CarbonylContact O-C 3.57Å; T184-G193 WeakPolarHBondContact O-CA 3.42Å
194T87.6Confident83.3Confident3 Ų355.2 Ų55.22%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-120.4126.6175.7-67.50000109.4N15 F17 V136 T184 I196N15-T194 CarbonylContact O-C 3.58Å; N15-T194 WeakPolarHBondContact O-CA 3.5Å; F17-T194 HydrophobicContact CD2-CG2 3.45Å; F17-T194 VanDerWaalsContact CD2-CG2 3.45Å; F17-T194 HydrophobicContact CE2-CG2 3.6Å; F17-T194 HydrophobicContact CG-CG2 4.36Å; V136-T194 HydrophobicContact CG2-CG2 4.42Å; T184-T194 HydrophobicContact CG2-CG2 4.22Å; T184-T194 PolarHBondContact N-O 3.06Å; T184-T194 PolarHBondContact O-N 3.01Å; T194-I196 HydrophobicContact CG2-CD1 3.83Å; T194-I196 HydrophobicContact CG2-CG1 3.82Å
195Q90.1Very high83.5Confident33 Ų3359.9 Ų59.915%0.15428%0.276CS..EExtended strand (participates in β ladder)trans-107.8119.7173.2-50.7-166.8-9.500109W14 N15 F17 L183 Y197W14-Q195 HydrophobicContact CB-CG 4.12Å; W14-Q195 HydrophobicContact CD2-CG 3.71Å; W14-Q195 HydrophobicContact CE3-CG 3.19Å; W14-Q195 HydrophobicContact CG-CG 4.12Å; W14-Q195 VanDerWaalsContact CG-NE2 3.32Å; W14-Q195 HydrophobicContact CZ3-CG 3.76Å; N15-Q195 PolarHBondContact O-N 2.68Å; F17-Q195 PolarHBondContact N-O 3.14Å; L183-Q195 HydrophobicContact CD2-CB 3.95Å; L183-Q195 HydrophobicContact CD2-CG 3.54Å; Q195-Y197 HydrophobicContact CB-CE2 3.93Å; Q195-Y197 PolarHBondContact OE1-OH 2.81Å
196I91Very high83.7Confident0 Ų063.7 Ų63.70%029%0.287CS..EExtended strand (participates in β ladder)trans-112.4120.1177.8-66.1152000108.7F17 I144 V181 W182 T194 F198F17-I196 HydrophobicContact CB-CG1 3.73Å; F17-I196 HydrophobicContact CG-CG1 4.35Å; F17-I196 WeakPolarHBondContact O-CA 3.41Å; I144-I196 HydrophobicContact CD1-CD1 4.06Å; I144-I196 HydrophobicContact CD1-CG2 4.1Å; I144-I196 HydrophobicContact CG1-CG2 4.02Å; I144-I196 HydrophobicContact CG2-CG1 4.22Å; I144-I196 HydrophobicContact CG2-CG2 4.24Å; V181-I196 CarbonylContact C-O 3.49Å; V181-I196 WeakPolarHBondContact CA-O 3.37Å; W182-I196 HydrophobicContact CD2-CD1 4.46Å; W182-I196 HydrophobicContact CE3-CB 4.36Å; W182-I196 HydrophobicContact CE3-CD1 3.28Å; W182-I196 HydrophobicContact CE3-CG1 4.37Å; W182-I196 HydrophobicContact CZ3-CD1 3.36Å; W182-I196 PolarHBondContact N-O 3.15Å; W182-I196 PolarHBondContact O-N 3.15Å; T194-I196 HydrophobicContact CG2-CD1 3.83Å; T194-I196 HydrophobicContact CG2-CG1 3.82Å; I196-F198 HydrophobicContact CB-CZ 4.28Å; I196-F198 HydrophobicContact CG2-CD1 4.07Å; I196-F198 HydrophobicContact CG2-CD2 4.41Å; I196-F198 HydrophobicContact CG2-CE1 3.46Å; I196-F198 VanDerWaalsContact CG2-CE1 3.46Å; I196-F198 HydrophobicContact CG2-CE2 3.89Å; I196-F198 HydrophobicContact CG2-CZ 3.38Å
197Y93.8Very high84.4Confident53 Ų5362 Ų6221%0.20828%0.277CS..EExtended strand (participates in β ladder)trans-100.9119.2178-68.8-89.9000110I16 F17 G19 L153 P178 V181 Q195I16-Y197 HydrophobicContact CG2-CD2 3.72Å; I16-Y197 HydrophobicContact CG2-CE2 3.62Å; F17-Y197 PolarHBondContact O-N 3.18Å; G19-Y197 PolarHBondContact N-O 3.31Å; L153-Y197 HydrophobicContact CD1-CD1 4.19Å; L153-Y197 HydrophobicContact CD1-CD2 4.02Å; L153-Y197 HydrophobicContact CD1-CE2 4.48Å; L153-Y197 HydrophobicContact CD1-CG 3.85Å; L153-Y197 HydrophobicContact CD2-CD2 3.96Å; L153-Y197 HydrophobicContact CD2-CG 4.18Å; P178-Y197 HydrophobicContact CB-CD1 3.98Å; P178-Y197 HydrophobicContact CB-CG 4.45Å; P178-Y197 HydrophobicContact CG-CD1 3.71Å; P178-Y197 HydrophobicContact CG-CE1 4.49Å; V181-Y197 HydrophobicContact CG1-CD1 4.42Å; V181-Y197 HydrophobicContact CG1-CE1 4.22Å; V181-Y197 HydrophobicContact CG2-CD1 3.51Å; V181-Y197 HydrophobicContact CG2-CE1 3.54Å; V181-Y197 HydrophobicContact CG2-CG 4.47Å; Q195-Y197 HydrophobicContact CB-CE2 3.93Å; Q195-Y197 PolarHBondContact OE1-OH 2.81Å
198F94.5Very high85.2Confident0 Ų054.3 Ų54.30%025%0.251CS..EExtended strand (participates in β ladder)trans-96.8134-176.3-64.9-68.8000112.8G19 L142 I144 P178 V179 A180 W182 I196 L240 T243 F247G19-F198 CarbonylContact O-C 3.56Å; G19-F198 WeakPolarHBondContact O-CA 3.3Å; L142-F198 HydrophobicContact CB-CD1 4.43Å; L142-F198 HydrophobicContact CB-CE1 3.94Å; L142-F198 HydrophobicContact CD1-CD1 3.55Å; L142-F198 HydrophobicContact CD1-CE1 3.6Å; L142-F198 HydrophobicContact CD1-CG 4.29Å; L142-F198 HydrophobicContact CD1-CZ 4.35Å; L142-F198 HydrophobicContact CG-CE1 4.31Å; I144-F198 HydrophobicContact CD1-CE1 4.33Å; I144-F198 HydrophobicContact CG1-CE1 4.21Å; P178-F198 CarbonylContact C-O 3.52Å; P178-F198 WeakPolarHBondContact CA-O 3.45Å; V179-F198 PolarHBondContact N-O 2.97Å; A180-F198 HydrophobicContact CB-CD2 4.29Å; A180-F198 PolarHBondContact O-N 3.45Å; W182-F198 HydrophobicContact CB-CE2 3.71Å; W182-F198 HydrophobicContact CB-CZ 4.42Å; I196-F198 HydrophobicContact CB-CZ 4.28Å; I196-F198 HydrophobicContact CG2-CD1 4.07Å; I196-F198 HydrophobicContact CG2-CD2 4.41Å; I196-F198 HydrophobicContact CG2-CE1 3.46Å; I196-F198 VanDerWaalsContact CG2-CE1 3.46Å; I196-F198 HydrophobicContact CG2-CE2 3.89Å; I196-F198 HydrophobicContact CG2-CZ 3.38Å; F198-L240 HydrophobicContact CE2-CD1 4.16Å; F198-L240 HydrophobicContact CZ-CD1 3.86Å; F198-T243 HydrophobicContact CD2-CG2 4.43Å; F198-T243 HydrophobicContact CE2-CG2 4.38Å; F198-F247 HydrophobicContact CB-CE2 4.4Å; F198-F247 HydrophobicContact CB-CZ 4.03Å; F198-F247 HydrophobicContact CD2-CE1 4.24Å; F198-F247 HydrophobicContact CD2-CZ 4.31Å; F198-F247 HydrophobicContact CG-CZ 4.14Å
199F94.4Very high85.9Confident2 Ų247.3 Ų47.31%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-109145171.2-67.8-90.8000111S18 G19 L20 C21 L153 R154 A157 I173 N176 P178S18-F199 WeakPolarHBondContact OG-CE2 3.33Å; G19-F199 PolarHBondContact O-N 2.9Å; L20-F199 HydrophobicContact CD2-CB 4.11Å; C21-F199 PolarHBondContact N-O 3Å; L153-F199 HydrophobicContact CB-CE2 3.86Å; L153-F199 HydrophobicContact CB-CZ 3.76Å; R154-F199 HydrophobicContact CB-CE1 4.5Å; A157-F199 HydrophobicContact CB-CB 4.36Å; A157-F199 HydrophobicContact CB-CD2 3.75Å; A157-F199 HydrophobicContact CB-CE2 4.32Å; A157-F199 HydrophobicContact CB-CG 4.11Å; I173-F199 HydrophobicContact CG2-CB 4.05Å; I173-F199 HydrophobicContact CG2-CD1 4.45Å; N176-F199 WeakPolarHBondContact O-CE1 3.48Å; P178-F199 HydrophobicContact CB-CE1 4.32Å; P178-F199 HydrophobicContact CB-CE2 4.29Å; P178-F199 HydrophobicContact CB-CZ 4.04Å
200N93.4Very high86.5Confident16 Ų1645 Ų459%0.08621%0.205CC..EExtended strand (participates in β ladder)trans-87.5129174.1-79.7-15.3000110.6R23 I173 F174 V179 Y202 F247R23-N200 VanDerWaalsContact CZ-OD1 3.27Å; R23-N200 PolarHBondContact NE-OD1 3.41Å; R23-N200 PolarHBondContact NH2-OD1 3.07Å; I173-N200 WeakPolarHBondContact CA-O 3.37Å; F174-N200 PolarHBondContact N-O 3.48Å; F174-N200 VanDerWaalsContact N-O 3.07Å; V179-N200 HydrophobicContact CG2-CB 4.14Å; N200-Y202 HydrophobicContact CB-CE2 4.29Å; N200-F247 WeakPolarHBondContact OD1-CD2 3.42Å
201V93.1Very high87.3Confident0 Ų040.2 Ų40.20%019%0.186CC..EExtended strand (participates in β ladder)trans-122.6131.3175.6-168.80000108.2L20 C21 I22 R23 L165 W171 C172 I173L20-V201 HydrophobicContact CB-CG2 4.27Å; L20-V201 HydrophobicContact CD1-CG2 4.26Å; L20-V201 HydrophobicContact CD2-CG2 3.58Å; L20-V201 HydrophobicContact CG-CG2 4.27Å; C21-V201 PolarHBondContact O-N 2.76Å; I22-V201 CarbonylContact C-O 3.59Å; I22-V201 WeakPolarHBondContact CA-O 3.24Å; I22-V201 HydrophobicContact CG1-CB 3.99Å; I22-V201 HydrophobicContact CG1-CG1 4.44Å; I22-V201 HydrophobicContact CG1-CG2 4.27Å; R23-V201 PolarHBondContact N-O 2.86Å; L165-V201 HydrophobicContact CD1-CG1 4.36Å; W171-V201 HydrophobicContact CB-CG1 4.02Å; W171-V201 HydrophobicContact CE3-CG1 4.33Å; C172-V201 WeakPolarHBondContact O-CA 3.47Å; I173-V201 HydrophobicContact CD1-CG2 4.4Å; I173-V201 HydrophobicContact CG1-CG1 4.21Å; I173-V201 HydrophobicContact CG1-CG2 3.83Å
202Y92Very high87.8Confident75 Ų7537.3 Ų37.329%0.29417%0.17SC..EExtended strand (participates in β ladder)trans-106.6133.8173.5-64.1-92.6000109R23 P25 W171 C172 F174 N200R23-Y202 HydrophobicContact CB-CD1 4.12Å; R23-Y202 HydrophobicContact CB-CE1 4.29Å; R23-Y202 WeakPolarHBondContact O-CA 3.47Å; P25-Y202 HydrophobicContact CG-CD1 4.43Å; W171-Y202 CarbonylContact C-O 3.54Å; W171-Y202 WeakPolarHBondContact CA-O 3.48Å; C172-Y202 PolarHBondContact N-O 3.32Å; C172-Y202 PolarHBondContact O-N 3.41Å; F174-Y202 HydrophobicContact CB-CD2 4.46Å; F174-Y202 HydrophobicContact CB-CE2 4.15Å; F174-Y202 AromaticContact CD2-CD2 3.24Å; F174-Y202 HydrophobicContact CD2-CD2 3.24Å; F174-Y202 AromaticContact CD2-CE2 3.59Å; F174-Y202 HydrophobicContact CD2-CE2 3.59Å; F174-Y202 HydrophobicContact CD2-CG 4.29Å; F174-Y202 AromaticContact CE2-CD2 3.56Å; F174-Y202 HydrophobicContact CE2-CD2 3.56Å; F174-Y202 HydrophobicContact CE2-CE2 4.06Å; F174-Y202 HydrophobicContact CE2-CG 4.24Å; F174-Y202 HydrophobicContact CG-CD2 4.02Å; F174-Y202 AromaticContact CG-CE2 3.89Å; F174-Y202 HydrophobicContact CG-CE2 3.89Å; N200-Y202 HydrophobicContact CB-CE2 4.29Å
203V92.2Very high87.6Confident5 Ų540 Ų403%0.0318%0.183CC..  trans-98.8160.8170-62.20000109.9I22 R23 R24 P25 L165 W171 W207 W225I22-V203 HydrophobicContact CG2-CG1 3.57Å; R23-V203 WeakPolarHBondContact O-CG2 3.49Å; R23-V203 PolarHBondContact O-N 3.35Å; R24-V203 HydrophobicContact CB-CG2 3.8Å; R24-V203 HydrophobicContact CG-CG2 4.02Å; P25-V203 WeakPolarHBondContact CD-O 3.19Å; L165-V203 HydrophobicContact CD1-CG1 4.2Å; L165-V203 HydrophobicContact CD2-CG1 4.15Å; W171-V203 HydrophobicContact CB-CG1 4.22Å; V203-W207 HydrophobicContact CB-CE3 3.96Å; V203-W207 HydrophobicContact CB-CZ3 4.37Å; V203-W207 HydrophobicContact CG1-CE3 4.12Å; V203-W207 HydrophobicContact CG1-CZ3 4.03Å; V203-W207 HydrophobicContact CG2-CE3 4.07Å; V203-W207 HydrophobicContact CG2-CZ3 4.49Å; V203-W225 HydrophobicContact CG2-CH2 4.13Å
204D90.8Very high87.2Confident46 Ų4643.3 Ų43.325%0.24620%0.2CC..  trans-57.8141.5174.9-164.33.7000111.4A169 K170 H206 W207A169-D204 PolarHBondContact O-N 3.05Å; K170-D204 HydrophobicContact CB-CB 4.25Å; D204-H206 PolarHBondContact O-N 3.29Å; D204-H206 IonicContact OD1-CD2 3.69Å; D204-W207 HydrophobicContact CB-CB 4.36Å; D204-W207 PolarHBondContact O-N 2.85Å
205R86.6Confident86.2Confident130 Ų13048.9 Ų48.949%0.49123%0.23SC..THydrogen-bonded Turntrans-63.9-29.9-179.7-72.8-176.4-71.8-178.6-1112.1P25 A26 V27P25-R205 HydrophobicContact CB-CG 3.73Å; P25-R205 HydrophobicContact CG-CG 3.6Å; A26-R205 WeakPolarHBondContact O-CD 3.11Å; V27-R205 HydrophobicContact CG2-CB 4.23Å; V27-R205 VanDerWaalsContact CG2-O 3.31Å; V27-R205 WeakPolarHBondContact CG2-O 3.11Å
206H83.8Confident85.1Confident122 Ų12248.5 Ų48.557%0.56523%0.229SC*.THydrogen-bonded Turntrans-89-1-177.7-58-68.1000113.6D204 H208D204-H206 PolarHBondContact O-N 3.29Å; D204-H206 IonicContact OD1-CD2 3.69Å; H206-H208 PolarHBondContact O-CD2 3.35Å
207W86.3Confident84Confident14 Ų1455.5 Ų55.55%0.05327%0.267CS..  trans-84.6124.9179.5-177.454.6000111.4L165 P166 R168 A169 V203 D204 G209 L212 W225L165-W207 HydrophobicContact CD2-CH2 3.71Å; L165-W207 HydrophobicContact CD2-CZ3 3.73Å; P166-W207 HydrophobicContact CG-CZ2 3.83Å; R168-W207 VanDerWaalsContact NH2-NE1 3.14Å; A169-W207 HydrophobicContact CB-CD2 3.58Å; A169-W207 HydrophobicContact CB-CE3 3.61Å; A169-W207 HydrophobicContact CB-CG 4.15Å; A169-W207 HydrophobicContact CB-CH2 4.05Å; A169-W207 HydrophobicContact CB-CZ2 4.06Å; A169-W207 HydrophobicContact CB-CZ3 3.84Å; V203-W207 HydrophobicContact CB-CE3 3.96Å; V203-W207 HydrophobicContact CB-CZ3 4.37Å; V203-W207 HydrophobicContact CG1-CE3 4.12Å; V203-W207 HydrophobicContact CG1-CZ3 4.03Å; V203-W207 HydrophobicContact CG2-CE3 4.07Å; V203-W207 HydrophobicContact CG2-CZ3 4.49Å; D204-W207 HydrophobicContact CB-CB 4.36Å; D204-W207 PolarHBondContact O-N 2.85Å; W207-G209 VanDerWaalsContact C-N 3.25Å; W207-G209 PolarHBondContact O-N 3.16Å; W207-L212 HydrophobicContact CH2-CD2 3.84Å; W207-L212 HydrophobicContact CH2-CG 3.95Å; W207-W225 HydrophobicContact CE3-CZ2 4.46Å; W207-W225 HydrophobicContact CH2-CZ2 4.33Å; W207-W225 HydrophobicContact CZ3-CH2 4.17Å; W207-W225 AromaticContact CZ3-CZ2 3.7Å; W207-W225 HydrophobicContact CZ3-CZ2 3.7Å
208H84.8Confident82.9Confident83 Ų8355.1 Ų55.138%0.38427%0.266SS..  trans-74-10.9-176.4-71.6-118.2000114S117 A118 W119 H206 E210S117-H208 PolarHBondContact OG-O 2.86Å; A118-H208 WeakPolarHBondContact CB-O 3.44Å; A118-H208 PolarHBondContact N-O 3.24Å; W119-H208 HydrophobicContact CB-CB 4.37Å; W119-H208 WeakPolarHBondContact CB-ND1 3.34Å; W119-H208 AromaticContact CD1-CE1 3.96Å; W119-H208 AromaticContact CD2-CE1 3.67Å; W119-H208 AromaticContact CD2-ND1 3.99Å; W119-H208 AromaticContact CD2-NE2 3.99Å; W119-H208 AromaticContact CG-CE1 3.61Å; W119-H208 AromaticContact CG-ND1 3.58Å; H206-H208 PolarHBondContact O-CD2 3.35Å; H208-E210 VanDerWaalsContact C-N 3.27Å; H208-E210 PolarHBondContact O-N 3.48Å
209G81.5Confident81.7Confident0 Ų058 Ų580%028%0.281CS..  trans756.4171.600000116.5W207 W225W207-G209 VanDerWaalsContact C-N 3.25Å; W207-G209 PolarHBondContact O-N 3.16Å; G209-W225 PolarHBondContact O-NE1 2.9Å
210E79.2Confident80.9Confident81 Ų8158 Ų5838%0.37928%0.282SS..  trans-84.2-36.6-171.5-71.9170.3-161.600113.6S117 H208 L212 Y223S117-E210 VanDerWaalsContact CB-OE1 3.22Å; S117-E210 WeakPolarHBondContact CB-OE1 3.35Å; S117-E210 PolarHBondContact OG-OE1 2.86Å; H208-E210 VanDerWaalsContact C-N 3.27Å; H208-E210 PolarHBondContact O-N 3.48Å; E210-L212 VanDerWaalsContact C-N 3.26Å; E210-L212 PolarHBondContact O-N 3.48Å; E210-L212 VanDerWaalsContact O-N 3.08Å; E210-Y223 PolarHBondContact O-OH 2.86Å
211D81.1Confident80.3Confident92 Ų9260.7 Ų60.749%0.49230%0.296SS..  trans-93.759.6-178.7-33.316000110.1P166 R168P166-D211 WeakPolarHBondContact CD-O 3.26Å; P166-D211 VanDerWaalsContact CG-O 3.27Å; P166-D211 WeakPolarHBondContact CG-O 3.45Å; R168-D211 VanDerWaalsContact CZ-CB 3.41Å; R168-D211 IonicContact CZ-OD1 2.69Å; R168-D211 VanDerWaalsContact CZ-OD1 3.29Å; R168-D211 IonicContact CZ-OD2 3.15Å; R168-D211 IonicContact NE-OD2 3.29Å; R168-D211 IonicContact NH1-OD1 3.86Å; R168-D211 PolarHBondContact NH1-OD1 2.87Å; R168-D211 IonicContact NH1-OD2 3.72Å; R168-D211 PolarHBondContact NH1-OD2 2.76Å; R168-D211 VanDerWaalsContact NH2-CA 3.35Å; R168-D211 IonicContact NH2-OD1 3.24Å; R168-D211 PolarHBondContact NH2-OD1 2.85Å; R168-D211 IonicContact NH2-OD2 2.67Å; R168-D211 PolarHBondContact NH2-OD2 3.01Å; R168-D211 VanDerWaalsContact NH2-OD2 3.15Å
212L81.3Confident79.9Confident12 Ų1263.7 Ų63.76%0.06331%0.312CS..  trans-71.2137.6164.6-80.7160.8000109L128 L164 L165 W207 E210 L214 Y223 W225L128-L212 HydrophobicContact CD1-CD1 3.66Å; L128-L212 HydrophobicContact CD2-CD1 4.04Å; L128-L212 HydrophobicContact CD2-CD2 4.06Å; L164-L212 HydrophobicContact CD1-CD2 3.89Å; L164-L212 HydrophobicContact CG-CD2 3.8Å; L164-L212 WeakPolarHBondContact O-CD2 3.49Å; L165-L212 HydrophobicContact CD2-CD2 3.7Å; W207-L212 HydrophobicContact CH2-CD2 3.84Å; W207-L212 HydrophobicContact CH2-CG 3.95Å; E210-L212 VanDerWaalsContact C-N 3.26Å; E210-L212 PolarHBondContact O-N 3.48Å; E210-L212 VanDerWaalsContact O-N 3.08Å; L212-L214 PolarHBondContact O-N 2.75Å; L212-L214 VanDerWaalsContact O-N 3.13Å; L212-Y223 HydrophobicContact CB-CD1 3.92Å; L212-Y223 HydrophobicContact CB-CE1 3.84Å; L212-Y223 HydrophobicContact CB-CG 4.41Å; L212-Y223 HydrophobicContact CD1-CD1 3.74Å; L212-Y223 HydrophobicContact CD1-CD2 3.21Å; L212-Y223 HydrophobicContact CD1-CE1 4.05Å; L212-Y223 HydrophobicContact CD1-CE2 3.51Å; L212-Y223 HydrophobicContact CD1-CG 3.35Å; L212-Y223 HydrophobicContact CG-CD1 4.48Å; L212-Y223 HydrophobicContact CG-CD2 4.5Å; L212-Y223 HydrophobicContact CG-CG 4.49Å; L212-W225 HydrophobicContact CD1-CZ2 4.48Å
213I78Confident79.8Confident73 Ų7361 Ų6137%0.37430%0.302SS..  trans-78107.7179.4-53166.1000107.2S163 L164 N216S163-I213 WeakPolarHBondContact O-CD1 3.23Å; L164-I213 PolarHBondContact O-N 3.25Å; L164-I213 VanDerWaalsContact O-N 3.12Å; I213-N216 WeakPolarHBondContact CG2-OD1 3.08Å; I213-N216 PolarHBondContact O-ND2 3.34Å
214L75.4Confident79.8Confident69 Ų6961.3 Ų61.336%0.36130%0.303SS..  trans-86.4161.8177.1-68.7178.1000110.9L212 N216 I220 Y223L212-L214 PolarHBondContact O-N 2.75Å; L212-L214 VanDerWaalsContact O-N 3.13Å; L214-N216 PolarHBondContact O-N 3.04Å; L214-I220 HydrophobicContact CD2-CG2 4.02Å; L214-Y223 HydrophobicContact CD1-CE1 4.26Å; L214-Y223 HydrophobicContact CD2-CD1 3.71Å; L214-Y223 HydrophobicContact CD2-CE1 4.16Å; L214-Y223 HydrophobicContact CG-CD1 4.38Å; L214-Y223 HydrophobicContact CG-CE1 4.34Å
215N66.8Low79.9Confident121 Ų12159.1 Ų59.165%0.64729%0.291SS*.SBendtrans5728.5179.8-64.2-21.6000115.4I220N215-I220 PolarHBondContact N-O 2.81Å; N215-I220 VanDerWaalsContact N-O 3.16Å
216N67.5Low80.1Confident25 Ų2552.9 Ų52.913%0.13427%0.268CS..  trans-61.4176.8168.2-77.6-25.6000112.9S163 I213 L214 F218 N219S163-N216 PolarHBondContact O-ND2 3.17Å; S163-N216 VanDerWaalsContact OG-CB 3.25Å; S163-N216 WeakPolarHBondContact OG-CB 3.29Å; S163-N216 PolarHBondContact OG-ND2 3.45Å; I213-N216 WeakPolarHBondContact CG2-OD1 3.08Å; I213-N216 PolarHBondContact O-ND2 3.34Å; L214-N216 PolarHBondContact O-N 3.04Å; N216-F218 PolarHBondContact O-N 2.74Å; N216-N219 PolarHBondContact O-N 3.32Å
217N68.6Low80.5Confident147 Ų14747.2 Ų47.279%0.78624%0.242SC*.THydrogen-bonded Turntrans-46.1-23.9172.4-64.4-17000114.1
218F69.1Low80.6Confident45 Ų4550.2 Ų50.220%0.19725%0.253CS..THydrogen-bonded Turntrans-92.12-179.6-53-68.4000115.2S132 A145 I160 N216 I220S132-F218 PolarHBondContact OG-O 3.08Å; A145-F218 HydrophobicContact CB-CD1 3.75Å; A145-F218 HydrophobicContact CB-CE1 3.35Å; A145-F218 HydrophobicContact CB-CZ 4.22Å; I160-F218 HydrophobicContact CB-CE2 4.41Å; I160-F218 HydrophobicContact CG1-CE1 4.21Å; I160-F218 HydrophobicContact CG1-CE2 4.21Å; I160-F218 HydrophobicContact CG1-CZ 3.9Å; N216-F218 PolarHBondContact O-N 2.74Å; F218-I220 HydrophobicContact CB-CD1 4.38Å; F218-I220 HydrophobicContact CB-CG1 4.41Å; F218-I220 PolarHBondContact O-N 2.95Å
219N69.8Low80.7Confident59 Ų5950.5 Ų50.532%0.31626%0.26SS..  trans48.756.4-179.3-64.9-62.7000112.7S132 P133 K134 N216S132-N219 PolarHBondContact OG-O 3.46Å; P133-N219 WeakPolarHBondContact CD-O 3.31Å; K134-N219 PolarHBondContact NZ-ND2 3.38Å; N216-N219 PolarHBondContact O-N 3.32Å
220I78.3Confident81.1Confident4 Ų453.1 Ų53.12%0.02127%0.273CS..  trans-86117.6173.4-66.2164000107.5V130 L164 L214 N215 F218V130-I220 HydrophobicContact CB-CD1 4.49Å; V130-I220 HydrophobicContact CB-CG1 4.34Å; V130-I220 HydrophobicContact CB-CG2 3.82Å; V130-I220 HydrophobicContact CG1-CD1 4.25Å; V130-I220 HydrophobicContact CG1-CG2 3.87Å; V130-I220 HydrophobicContact CG2-CG1 4.46Å; L164-I220 HydrophobicContact CD1-CD1 3.71Å; L164-I220 HydrophobicContact CD2-CD1 4.15Å; L164-I220 HydrophobicContact CG-CD1 4.44Å; L214-I220 HydrophobicContact CD2-CG2 4.02Å; N215-I220 PolarHBondContact N-O 2.81Å; N215-I220 VanDerWaalsContact N-O 3.16Å; F218-I220 HydrophobicContact CB-CD1 4.38Å; F218-I220 HydrophobicContact CB-CG1 4.41Å; F218-I220 PolarHBondContact O-N 2.95Å
221N79.6Confident81.4Confident72 Ų7249.4 Ų49.439%0.38526%0.255SS..  trans-86.4-45.7-177.6-68.19.3000111Q131Q131-N221 PolarHBondContact O-N 2.99Å
222N85.7Confident81.7Confident63 Ų6351.9 Ų51.934%0.33726%0.262SS..EExtended strand (participates in β ladder)trans-140.5158.4-177-70.8-45.8000110.7V130 Q131 W140V130-N222 WeakPolarHBondContact CA-O 3.34Å; Q131-N222 HydrophobicContact CB-CB 4.14Å; Q131-N222 PolarHBondContact N-O 2.8Å; Q131-N222 PolarHBondContact OE1-ND2 2.78Å; W140-N222 HydrophobicContact CH2-CB 3.77Å; W140-N222 HydrophobicContact CZ3-CB 4.27Å
223Y90.4Very high82Confident19 Ų1958.5 Ų58.58%0.07529%0.292CS..EExtended strand (participates in β ladder)trans-137.4157.9172.366-90.6000110.4K116 L128 L129 E210 L212 L214K116-Y223 HydrophobicContact CB-CE2 4.14Å; K116-Y223 VanDerWaalsContact O-CE2 3.3Å; K116-Y223 WeakPolarHBondContact O-CE2 3.38Å; L128-Y223 HydrophobicContact CD1-CD2 4.04Å; L128-Y223 HydrophobicContact CD1-CG 4.31Å; L129-Y223 CarbonylContact O-C 3.58Å; L129-Y223 VanDerWaalsContact O-CA 3.23Å; L129-Y223 WeakPolarHBondContact O-CA 3.48Å; E210-Y223 PolarHBondContact O-OH 2.86Å; L212-Y223 HydrophobicContact CB-CD1 3.92Å; L212-Y223 HydrophobicContact CB-CE1 3.84Å; L212-Y223 HydrophobicContact CB-CG 4.41Å; L212-Y223 HydrophobicContact CD1-CD1 3.74Å; L212-Y223 HydrophobicContact CD1-CD2 3.21Å; L212-Y223 HydrophobicContact CD1-CE1 4.05Å; L212-Y223 HydrophobicContact CD1-CE2 3.51Å; L212-Y223 HydrophobicContact CD1-CG 3.35Å; L212-Y223 HydrophobicContact CG-CD1 4.48Å; L212-Y223 HydrophobicContact CG-CD2 4.5Å; L212-Y223 HydrophobicContact CG-CG 4.49Å; L214-Y223 HydrophobicContact CD1-CE1 4.26Å; L214-Y223 HydrophobicContact CD2-CD1 3.71Å; L214-Y223 HydrophobicContact CD2-CE1 4.16Å; L214-Y223 HydrophobicContact CG-CD1 4.38Å; L214-Y223 HydrophobicContact CG-CE1 4.34Å
224I91.8Very high82.3Confident10 Ų1057.1 Ų57.15%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-144144.9172.955.6179000109.5L115 L129 W140 V226 F234L115-I224 HydrophobicContact CB-CB 4.25Å; L115-I224 HydrophobicContact CB-CG2 3.95Å; L115-I224 WeakPolarHBondContact O-CA 3.11Å; L129-I224 HydrophobicContact CB-CD1 4.29Å; L129-I224 HydrophobicContact CB-CG1 3.8Å; L129-I224 HydrophobicContact CD1-CD1 4.26Å; L129-I224 PolarHBondContact N-O 3.3Å; L129-I224 PolarHBondContact O-N 3.11Å; W140-I224 HydrophobicContact CD2-CD1 3.72Å; W140-I224 HydrophobicContact CD2-CG1 4.24Å; W140-I224 HydrophobicContact CE3-CD1 3.73Å; W140-I224 HydrophobicContact CE3-CG1 3.71Å; W140-I224 HydrophobicContact CG-CD1 4.26Å; W140-I224 HydrophobicContact CH2-CB 4.44Å; W140-I224 HydrophobicContact CH2-CD1 4.21Å; W140-I224 HydrophobicContact CH2-CG1 4.13Å; W140-I224 HydrophobicContact CH2-CG2 3.65Å; W140-I224 HydrophobicContact CZ2-CD1 4.21Å; W140-I224 HydrophobicContact CZ2-CG2 4.19Å; W140-I224 HydrophobicContact CZ3-CB 4.28Å; W140-I224 HydrophobicContact CZ3-CD1 3.98Å; W140-I224 HydrophobicContact CZ3-CG1 3.65Å; W140-I224 HydrophobicContact CZ3-CG2 3.98Å; I224-V226 HydrophobicContact CB-CG2 4.07Å; I224-V226 HydrophobicContact CD1-CG2 3.6Å; I224-V226 HydrophobicContact CG1-CG2 3.64Å; I224-F234 HydrophobicContact CD1-CB 4.34Å; I224-F234 HydrophobicContact CD1-CD1 3.36Å; I224-F234 HydrophobicContact CD1-CD2 4.04Å; I224-F234 HydrophobicContact CD1-CE1 3.51Å; I224-F234 HydrophobicContact CD1-CE2 4.16Å; I224-F234 HydrophobicContact CD1-CG 3.64Å; I224-F234 HydrophobicContact CD1-CZ 3.92Å
225W92.1Very high82.8Confident0 Ų054.1 Ų54.10%027%0.268CS..EExtended strand (participates in β ladder)trans-98.5125170.2-69.897.7000109.1I22 R24 L115 A118 R120 L126 Y127 L128 V203 W207 G209 L212I22-W225 HydrophobicContact CG2-CH2 3.77Å; I22-W225 HydrophobicContact CG2-CZ3 4.25Å; R24-W225 HydrophobicContact CB-CE3 4.39Å; R24-W225 HydrophobicContact CB-CZ3 4Å; L115-W225 PolarHBondContact O-N 3.09Å; A118-W225 HydrophobicContact CB-CD2 3.81Å; A118-W225 HydrophobicContact CB-CE3 4.4Å; A118-W225 HydrophobicContact CB-CG 3.92Å; A118-W225 HydrophobicContact CB-CZ2 4.28Å; R120-W225 VanDerWaalsContact CZ-O 3.31Å; R120-W225 PolarHBondContact NE-O 3.34Å; R120-W225 VanDerWaalsContact NE-O 3.14Å; R120-W225 PolarHBondContact NH2-O 3.05Å; L126-W225 HydrophobicContact CB-CB 4.29Å; L126-W225 HydrophobicContact CB-CE3 4.04Å; L126-W225 HydrophobicContact CD1-CB 3.97Å; Y127-W225 WeakPolarHBondContact O-CA 3.46Å; L128-W225 HydrophobicContact CB-CD2 4.46Å; L128-W225 HydrophobicContact CB-CE3 4.08Å; L128-W225 HydrophobicContact CB-CH2 4.02Å; L128-W225 HydrophobicContact CB-CZ2 4.37Å; L128-W225 HydrophobicContact CB-CZ3 3.85Å; L128-W225 HydrophobicContact CD1-CD2 3.95Å; L128-W225 HydrophobicContact CD1-CE3 4.41Å; L128-W225 HydrophobicContact CD1-CG 4.38Å; L128-W225 HydrophobicContact CD1-CH2 4.42Å; L128-W225 HydrophobicContact CD1-CZ2 3.92Å; L128-W225 HydrophobicContact CD2-CZ2 4.45Å; L128-W225 HydrophobicContact CG-CZ2 4.49Å; V203-W225 HydrophobicContact CG2-CH2 4.13Å; W207-W225 HydrophobicContact CE3-CZ2 4.46Å; W207-W225 HydrophobicContact CH2-CZ2 4.33Å; W207-W225 HydrophobicContact CZ3-CH2 4.17Å; W207-W225 AromaticContact CZ3-CZ2 3.7Å; W207-W225 HydrophobicContact CZ3-CZ2 3.7Å; G209-W225 PolarHBondContact O-NE1 2.9Å; L212-W225 HydrophobicContact CD1-CZ2 4.48Å
226V91.6Very high83.4Confident0 Ų056.6 Ų56.60%027%0.273CS..EExtended strand (participates in β ladder)trans-135.8132.1-168.1-175.60000110.7Y127 L129 I224 E230 L231 F234Y127-V226 WeakPolarHBondContact CD2-O 3.46Å; Y127-V226 PolarHBondContact N-O 3.31Å; Y127-V226 PolarHBondContact O-N 3.19Å; L129-V226 HydrophobicContact CD1-CB 4.43Å; L129-V226 HydrophobicContact CD1-CG2 4.15Å; I224-V226 HydrophobicContact CB-CG2 4.07Å; I224-V226 HydrophobicContact CD1-CG2 3.6Å; I224-V226 HydrophobicContact CG1-CG2 3.64Å; V226-E230 HydrophobicContact CG1-CB 3.32Å; V226-L231 HydrophobicContact CB-CD2 4.31Å; V226-L231 HydrophobicContact CG1-CD2 4.16Å; V226-F234 HydrophobicContact CG1-CD2 3.81Å; V226-F234 HydrophobicContact CG1-CE2 3.87Å; V226-F234 HydrophobicContact CG2-CD2 3.93Å; V226-F234 HydrophobicContact CG2-CE2 3.84Å
227P91.4Very high84.1Confident3 Ų357 Ų572%0.01928%0.277CS..EExtended strand (participates in β ladder)trans-72159171.530.6-34.6000110.4R120 L126 T229 E230 L231R120-P227 VanDerWaalsContact NH2-CD 3.3Å; L126-P227 HydrophobicContact CD2-CB 3.9Å; L126-P227 HydrophobicContact CD2-CG 4.24Å; L126-P227 VanDerWaalsContact CD2-N 3.3Å; P227-T229 PolarHBondContact O-N 3.47Å; P227-T229 VanDerWaalsContact O-N 3.07Å; P227-E230 WeakPolarHBondContact CD-OE2 3.32Å; P227-E230 HydrophobicContact CG-CB 4Å; P227-E230 VanDerWaalsContact CG-CD 3.49Å; P227-E230 HydrophobicContact CG-CG 3.88Å; P227-E230 WeakPolarHBondContact CG-OE1 3.29Å; P227-E230 PolarHBondContact O-N 2.98Å; P227-L231 PolarHBondContact O-N 2.87Å
228R89Confident84.8Confident77 Ų7758.8 Ų58.829%0.29128%0.278SS..THydrogen-bonded Turntrans-54.3-34.8-177.4-169.8-171.6-177.7-165.74.3113.9Y127 E230 L231 K245 A248 D250Y127-R228 HydrophobicContact CE2-CB 4.12Å; R228-E230 VanDerWaalsContact C-N 3.32Å; R228-E230 PolarHBondContact O-N 2.81Å; R228-L231 HydrophobicContact CG-CD1 4.37Å; R228-L231 PolarHBondContact O-N 2.89Å; R228-K245 PolarHBondContact NH2-O 3.5Å; R228-A248 WeakPolarHBondContact CD-O 3.09Å; R228-A248 VanDerWaalsContact CZ-O 3.25Å; R228-A248 PolarHBondContact NE-O 2.85Å; R228-A248 PolarHBondContact NH2-O 3.44Å; R228-D250 WeakPolarHBondContact CB-OD1 3.44Å; R228-D250 WeakPolarHBondContact CB-OD2 3.34Å; R228-D250 WeakPolarHBondContact CD-OD1 3.48Å; R228-D250 WeakPolarHBondContact CD-OD2 3.41Å
229T87.4Confident85.5Confident88 Ų8859.7 Ų59.754%0.5429%0.287SS..THydrogen-bonded Turntrans-61.1-39.7178.447.70000112.2P227P227-T229 PolarHBondContact O-N 3.47Å; P227-T229 VanDerWaalsContact O-N 3.07Å
230E88.1Confident86.2Confident55 Ų5556.9 Ų56.926%0.25727%0.273SS..THydrogen-bonded Turntrans-85.3-15.7-176.3-75.8170.2-146.400113.3R120 V226 P227 R228 K232 H233 F234R120-E230 IonicContact CZ-OE2 3.94Å; R120-E230 IonicContact NH1-OE1 3.83Å; R120-E230 IonicContact NH1-OE2 3.86Å; R120-E230 IonicContact NH2-OE2 3.03Å; R120-E230 PolarHBondContact NH2-OE2 2.95Å; V226-E230 HydrophobicContact CG1-CB 3.32Å; P227-E230 WeakPolarHBondContact CD-OE2 3.32Å; P227-E230 HydrophobicContact CG-CB 4Å; P227-E230 VanDerWaalsContact CG-CD 3.49Å; P227-E230 HydrophobicContact CG-CG 3.88Å; P227-E230 WeakPolarHBondContact CG-OE1 3.29Å; P227-E230 PolarHBondContact O-N 2.98Å; R228-E230 VanDerWaalsContact C-N 3.32Å; R228-E230 PolarHBondContact O-N 2.81Å; E230-K232 PolarHBondContact O-N 3.17Å; E230-H233 WeakPolarHBondContact O-CB 3Å; E230-H233 PolarHBondContact O-N 2.81Å; E230-H233 PolarHBondContact O-ND1 3.4Å; E230-F234 HydrophobicContact CB-CE2 4.37Å; E230-F234 WeakPolarHBondContact O-CD2 3.33Å
231L86.8Confident86.6Confident3 Ų357.8 Ų57.82%0.01628%0.277CS..Hα-helixtrans-51.7-30.9179.7-71.4177.1000113.5L129 V226 P227 R228 H233 F234 V235 L241L129-L231 HydrophobicContact CD1-CD2 3.89Å; L129-L231 HydrophobicContact CD2-CD2 4.2Å; L129-L231 HydrophobicContact CG-CD2 4.21Å; V226-L231 HydrophobicContact CB-CD2 4.31Å; V226-L231 HydrophobicContact CG1-CD2 4.16Å; P227-L231 PolarHBondContact O-N 2.87Å; R228-L231 HydrophobicContact CG-CD1 4.37Å; R228-L231 PolarHBondContact O-N 2.89Å; L231-H233 VanDerWaalsContact C-N 3.27Å; L231-H233 PolarHBondContact O-N 3.48Å; L231-F234 PolarHBondContact O-N 3.04Å; L231-V235 WeakPolarHBondContact O-CB 3.36Å; L231-V235 PolarHBondContact O-N 3.37Å; L231-V235 VanDerWaalsContact O-N 3.08Å; L231-L241 HydrophobicContact CB-CD1 4.07Å
232K86.6Confident86.9Confident144 Ų14461.1 Ų61.163%0.62629%0.288SS*.Hα-helixtrans-63.8-29.7178.4-175.6-177.6175-166.70113E230 L241E230-K232 PolarHBondContact O-N 3.17Å; K232-L241 HydrophobicContact CB-CD2 4.03Å; K232-L241 HydrophobicContact CG-CD2 3.88Å
233H87.1Confident87Confident152 Ų15259.2 Ų59.270%0.70428%0.279SS*.Hα-helixtrans-76.4-33.7-177.5-59.2101.4000112.1E230 L231E230-H233 WeakPolarHBondContact O-CB 3Å; E230-H233 PolarHBondContact O-N 2.81Å; E230-H233 PolarHBondContact O-ND1 3.4Å; L231-H233 VanDerWaalsContact C-N 3.27Å; L231-H233 PolarHBondContact O-N 3.48Å
234F85.3Confident86.9Confident43 Ų4358.6 Ų58.619%0.18928%0.277CS..Hα-helixtrans-92.5-39.2-175.5-62.1-77.2000113.2L115 L129 W140 I224 V226 E230 L231 K236L115-F234 HydrophobicContact CD1-CE1 4.28Å; L115-F234 HydrophobicContact CD1-CZ 3.76Å; L129-F234 HydrophobicContact CD1-CB 3.79Å; L129-F234 HydrophobicContact CD1-CG 4.36Å; W140-F234 HydrophobicContact CB-CB 3.96Å; W140-F234 AromaticContact CD1-CD1 3.85Å; W140-F234 HydrophobicContact CG-CB 4.1Å; W140-F234 HydrophobicContact CG-CD1 4.29Å; W140-F234 AromaticContact NE1-CD1 3.95Å; I224-F234 HydrophobicContact CD1-CB 4.34Å; I224-F234 HydrophobicContact CD1-CD1 3.36Å; I224-F234 HydrophobicContact CD1-CD2 4.04Å; I224-F234 HydrophobicContact CD1-CE1 3.51Å; I224-F234 HydrophobicContact CD1-CE2 4.16Å; I224-F234 HydrophobicContact CD1-CG 3.64Å; I224-F234 HydrophobicContact CD1-CZ 3.92Å; V226-F234 HydrophobicContact CG1-CD2 3.81Å; V226-F234 HydrophobicContact CG1-CE2 3.87Å; V226-F234 HydrophobicContact CG2-CD2 3.93Å; V226-F234 HydrophobicContact CG2-CE2 3.84Å; E230-F234 HydrophobicContact CB-CE2 4.37Å; E230-F234 WeakPolarHBondContact O-CD2 3.33Å; L231-F234 PolarHBondContact O-N 3.04Å; F234-K236 PolarHBondContact O-N 3.06Å
235V85.3Confident86.7Confident6 Ų662.1 Ų62.14%0.03629%0.292CS..  trans-86.9103.2-174.4-1780000110.5L129 L231 S237 L240 L241 L244L129-V235 HydrophobicContact CD1-CG2 4.22Å; L129-V235 HydrophobicContact CD2-CG2 4.41Å; L231-V235 WeakPolarHBondContact O-CB 3.36Å; L231-V235 PolarHBondContact O-N 3.37Å; L231-V235 VanDerWaalsContact O-N 3.08Å; V235-S237 PolarHBondContact O-N 2.89Å; V235-L240 HydrophobicContact CG1-CB 4.09Å; V235-L240 HydrophobicContact CG1-CD2 3.77Å; V235-L240 HydrophobicContact CG1-CG 3.89Å; V235-L241 HydrophobicContact CB-CD1 4.45Å; V235-L241 HydrophobicContact CG1-CB 4.32Å; V235-L244 HydrophobicContact CG1-CD1 4.36Å; V235-L244 HydrophobicContact CG2-CD1 3.93Å
236K80.4Confident86.4Confident174 Ų17466.2 Ų66.276%0.75732%0.321SS*.  trans-65.6-34.6-178.8-65-179.8-179.1172.70113.7S138 F234 K238S138-K236 PolarHBondContact O-NZ 3.39Å; F234-K236 PolarHBondContact O-N 3.06Å; K236-K238 PolarHBondContact O-N 3.37Å
237S81.3Confident86.2Confident32 Ų3266.7 Ų66.722%0.22432%0.323CS..  trans-78.4117.6-175.4175.10000111.3V235 T239 L240 L241V235-S237 PolarHBondContact O-N 2.89Å; S237-T239 VanDerWaalsContact C-N 3.29Å; S237-T239 PolarHBondContact O-N 3.02Å; S237-T239 PolarHBondContact OG-OG1 3.21Å; S237-T239 VanDerWaalsContact OG-OG1 3.04Å; S237-L240 PolarHBondContact O-N 3.02Å; S237-L240 PolarHBondContact OG-N 3.24Å; S237-L241 WeakPolarHBondContact O-CB 3.44Å; S237-L241 PolarHBondContact O-N 2.98Å
238K83.4Confident85.8Confident186 Ų18666.6 Ų66.681%0.80932%0.322SS*.Hα-helixtrans-62.6-35.1177.4-67.1-176.7-179.3178.20112.6K236 K242K236-K238 PolarHBondContact O-N 3.37Å; K238-K242 PolarHBondContact O-N 2.81Å
239T83.9Confident85.3Confident63 Ų6366.6 Ų66.639%0.38733%0.327SS..Hα-helixtrans-69.7-45.6178.953.70000110.4W182 S237 K242 T243W182-T239 PolarHBondContact NE1-OG1 2.76Å; S237-T239 VanDerWaalsContact C-N 3.29Å; S237-T239 PolarHBondContact O-N 3.02Å; S237-T239 PolarHBondContact OG-OG1 3.21Å; S237-T239 VanDerWaalsContact OG-OG1 3.04Å; T239-K242 PolarHBondContact O-N 2.85Å; T239-T243 PolarHBondContact O-N 2.86Å; T239-T243 PolarHBondContact O-OG1 2.99Å
240L84.6Confident84.7Confident1 Ų164.6 Ų64.61%0.00531%0.313CS..Hα-helixtrans-61.5-46175.1-179.358.2000111N141 W182 F198 V235 S237 K242 T243 L244N141-L240 WeakPolarHBondContact OD1-CD2 3.35Å; W182-L240 HydrophobicContact CD2-CB 4.23Å; W182-L240 HydrophobicContact CD2-CD1 3.85Å; W182-L240 HydrophobicContact CE3-CD1 3.84Å; W182-L240 HydrophobicContact CG-CD1 4.15Å; W182-L240 HydrophobicContact CZ2-CB 4.08Å; W182-L240 HydrophobicContact CZ3-CD1 4.4Å; W182-L240 HydrophobicContact CZ3-CD2 4.41Å; F198-L240 HydrophobicContact CE2-CD1 4.16Å; F198-L240 HydrophobicContact CZ-CD1 3.86Å; V235-L240 HydrophobicContact CG1-CB 4.09Å; V235-L240 HydrophobicContact CG1-CD2 3.77Å; V235-L240 HydrophobicContact CG1-CG 3.89Å; S237-L240 PolarHBondContact O-N 3.02Å; S237-L240 PolarHBondContact OG-N 3.24Å; L240-K242 VanDerWaalsContact C-N 3.27Å; L240-K242 PolarHBondContact O-N 3.01Å; L240-T243 CarbonylContact O-C 3.55Å; L240-T243 PolarHBondContact O-N 3.38Å; L240-T243 VanDerWaalsContact O-N 3.11Å; L240-L244 HydrophobicContact CD1-CD1 4.31Å; L240-L244 HydrophobicContact CD1-CD2 4.28Å; L240-L244 HydrophobicContact CD1-CG 4.01Å; L240-L244 HydrophobicContact CG-CD1 4.02Å; L240-L244 HydrophobicContact CG-CG 4.16Å; L240-L244 WeakPolarHBondContact O-CG 3.34Å; L240-L244 PolarHBondContact O-N 3.3Å
241L86.5Confident83.6Confident22 Ų2274.9 Ų74.912%0.11535%0.352CS..Hα-helixtrans-58.8-38.8177.8-176.666.3000112.1L231 K232 V235 S237 K245L231-L241 HydrophobicContact CB-CD1 4.07Å; K232-L241 HydrophobicContact CB-CD2 4.03Å; K232-L241 HydrophobicContact CG-CD2 3.88Å; V235-L241 HydrophobicContact CB-CD1 4.45Å; V235-L241 HydrophobicContact CG1-CB 4.32Å; S237-L241 WeakPolarHBondContact O-CB 3.44Å; S237-L241 PolarHBondContact O-N 2.98Å; L241-K245 HydrophobicContact CD1-CD 4.49Å; L241-K245 HydrophobicContact CD1-CG 4.44Å; L241-K245 HydrophobicContact CG-CD 4.33Å; L241-K245 WeakPolarHBondContact O-CB 3.47Å; L241-K245 VanDerWaalsContact O-CG 3.29Å; L241-K245 WeakPolarHBondContact O-CG 2.93Å; L241-K245 PolarHBondContact O-N 3.12Å
242K87.1Confident83.5Confident142 Ų14278.5 Ų78.562%0.61737%0.368SS*.Hα-helixtrans-64.6-44.9175.5-172.7-179.5179.6-1770111.2K238 T239 L240 K245 S246K238-K242 PolarHBondContact O-N 2.81Å; T239-K242 PolarHBondContact O-N 2.85Å; L240-K242 VanDerWaalsContact C-N 3.27Å; L240-K242 PolarHBondContact O-N 3.01Å; K242-K245 PolarHBondContact O-N 3.3Å; K242-S246 PolarHBondContact O-N 3.38Å
243T87Confident83.3Confident24 Ų2475 Ų7515%0.14736%0.355CS..Hα-helixtrans-62.6-49.3175.9-55.70000110.6A180 W182 F198 T239 L240 K245 S246 F247A180-T243 HydrophobicContact CB-CG2 3.73Å; W182-T243 HydrophobicContact CB-CG2 4.21Å; F198-T243 HydrophobicContact CD2-CG2 4.43Å; F198-T243 HydrophobicContact CE2-CG2 4.38Å; T239-T243 PolarHBondContact O-N 2.86Å; T239-T243 PolarHBondContact O-OG1 2.99Å; L240-T243 CarbonylContact O-C 3.55Å; L240-T243 PolarHBondContact O-N 3.38Å; L240-T243 VanDerWaalsContact O-N 3.11Å; T243-K245 VanDerWaalsContact C-N 3.33Å; T243-K245 PolarHBondContact O-N 3.29Å; T243-S246 PolarHBondContact O-N 3.32Å; T243-S246 PolarHBondContact O-OG 2.95Å; T243-F247 HydrophobicContact CG2-CE1 4.26Å; T243-F247 WeakPolarHBondContact O-CD1 3.41Å; T243-F247 WeakPolarHBondContact O-CE1 3.41Å
244L87.6Confident83.1Confident5 Ų570.7 Ų70.73%0.02634%0.335CS..Hα-helixtrans-55.6-46.8177.5-67-180000112L142 V235 L240 S246 F247 A248L142-L244 HydrophobicContact CD1-CD2 3.33Å; L142-L244 HydrophobicContact CG-CD2 3.86Å; V235-L244 HydrophobicContact CG1-CD1 4.36Å; V235-L244 HydrophobicContact CG2-CD1 3.93Å; L240-L244 HydrophobicContact CD1-CD1 4.31Å; L240-L244 HydrophobicContact CD1-CD2 4.28Å; L240-L244 HydrophobicContact CD1-CG 4.01Å; L240-L244 HydrophobicContact CG-CD1 4.02Å; L240-L244 HydrophobicContact CG-CG 4.16Å; L240-L244 WeakPolarHBondContact O-CG 3.34Å; L240-L244 PolarHBondContact O-N 3.3Å; L244-S246 PolarHBondContact O-N 3.33Å; L244-F247 VanDerWaalsContact CA-CE1 3.5Å; L244-F247 HydrophobicContact CD2-CE1 3.86Å; L244-F247 HydrophobicContact CD2-CZ 3.64Å; L244-F247 PolarHBondContact O-N 3.11Å; L244-A248 WeakPolarHBondContact O-CB 3.32Å; L244-A248 PolarHBondContact O-N 3.25Å
245K87.3Confident82.9Confident85 Ų8572.4 Ų72.437%0.3734%0.344SS..Hα-helixtrans-65.5-20.9179-76-176.2176.1-166.10114.6R228 L241 K242 T243R228-K245 PolarHBondContact NH2-O 3.5Å; L241-K245 HydrophobicContact CD1-CD 4.49Å; L241-K245 HydrophobicContact CD1-CG 4.44Å; L241-K245 HydrophobicContact CG-CD 4.33Å; L241-K245 WeakPolarHBondContact O-CB 3.47Å; L241-K245 VanDerWaalsContact O-CG 3.29Å; L241-K245 WeakPolarHBondContact O-CG 2.93Å; L241-K245 PolarHBondContact O-N 3.12Å; K242-K245 PolarHBondContact O-N 3.3Å; T243-K245 VanDerWaalsContact C-N 3.33Å; T243-K245 PolarHBondContact O-N 3.29Å
246S87.2Confident82.8Confident86 Ų8676.5 Ų76.560%0.60136%0.363SS*.Hα-helixtrans-76-29.4-179.576.70000112.5K242 T243 L244K242-S246 PolarHBondContact O-N 3.38Å; T243-S246 PolarHBondContact O-N 3.32Å; T243-S246 PolarHBondContact O-OG 2.95Å; L244-S246 PolarHBondContact O-N 3.33Å
247F87.1Confident83Confident9 Ų970 Ų704%0.03934%0.337CS..Hα-helixtrans-115.6-19.5-179.571.2-85.8000114.1C21 R23 L142 V179 A180 F198 N200 T243 L244 I249C21-F247 HydrophobicContact CB-CE2 3.47Å; C21-F247 VanDerWaalsContact CB-CE2 3.47Å; C21-F247 HydrophobicContact CB-CZ 4.12Å; C21-F247 VanDerWaalsContact SG-CE2 3.56Å; R23-F247 PolarHBondContact NH1-O 2.96Å; R23-F247 PolarHBondContact NH2-O 3.19Å; L142-F247 HydrophobicContact CD1-CZ 4.12Å; V179-F247 HydrophobicContact CB-CD2 4.45Å; V179-F247 HydrophobicContact CG1-CB 3.54Å; V179-F247 HydrophobicContact CG1-CD2 4.1Å; V179-F247 HydrophobicContact CG1-CG 4.09Å; A180-F247 HydrophobicContact CB-CB 4.49Å; A180-F247 HydrophobicContact CB-CD1 3.34Å; A180-F247 HydrophobicContact CB-CE1 3.68Å; A180-F247 HydrophobicContact CB-CG 4.01Å; F198-F247 HydrophobicContact CB-CE2 4.4Å; F198-F247 HydrophobicContact CB-CZ 4.03Å; F198-F247 HydrophobicContact CD2-CE1 4.24Å; F198-F247 HydrophobicContact CD2-CZ 4.31Å; F198-F247 HydrophobicContact CG-CZ 4.14Å; N200-F247 WeakPolarHBondContact OD1-CD2 3.42Å; T243-F247 HydrophobicContact CG2-CE1 4.26Å; T243-F247 WeakPolarHBondContact O-CD1 3.41Å; T243-F247 WeakPolarHBondContact O-CE1 3.41Å; L244-F247 VanDerWaalsContact CA-CE1 3.5Å; L244-F247 HydrophobicContact CD2-CE1 3.86Å; L244-F247 HydrophobicContact CD2-CZ 3.64Å; L244-F247 PolarHBondContact O-N 3.11Å; F247-I249 PolarHBondContact O-N 3.34Å; F247-I249 VanDerWaalsContact O-N 3.16Å
248A83.8Confident83.1Confident2 Ų272.7 Ų72.72%0.01735%0.345CS..  trans-73.894.8165.300000109Y127 R228 L244Y127-A248 HydrophobicContact CD1-CB 4.27Å; Y127-A248 HydrophobicContact CE1-CB 3.51Å; Y127-A248 HydrophobicContact CE2-CB 4.22Å; Y127-A248 WeakPolarHBondContact OH-CA 3.39Å; Y127-A248 WeakPolarHBondContact OH-CB 3.15Å; R228-A248 WeakPolarHBondContact CD-O 3.09Å; R228-A248 VanDerWaalsContact CZ-O 3.25Å; R228-A248 PolarHBondContact NE-O 2.85Å; R228-A248 PolarHBondContact NH2-O 3.44Å; L244-A248 WeakPolarHBondContact O-CB 3.32Å; L244-A248 PolarHBondContact O-N 3.25Å
249I78.4Confident83.1Confident77 Ų7764 Ų6440%0.39531%0.31SS..  trans-95.5125.7-179.5-58.7170.9000107.5Y127 F247 Y251Y127-I249 PolarHBondContact OH-N 3.48Å; Y127-I249 PolarHBondContact OH-O 3.41Å; F247-I249 PolarHBondContact O-N 3.34Å; F247-I249 VanDerWaalsContact O-N 3.16Å; I249-Y251 HydrophobicContact CB-CE2 4.26Å; I249-Y251 HydrophobicContact CG2-CD1 4.18Å; I249-Y251 HydrophobicContact CG2-CD2 4.05Å; I249-Y251 HydrophobicContact CG2-CE1 3.97Å; I249-Y251 HydrophobicContact CG2-CE2 3.83Å; I249-Y251 HydrophobicContact CG2-CG 4.23Å
250D73.8Confident83Confident46 Ų4664.1 Ų64.125%0.24630%0.303CS..  trans-96122.4160.6-66-11.5000105.6R228R228-D250 WeakPolarHBondContact CB-OD1 3.44Å; R228-D250 WeakPolarHBondContact CB-OD2 3.34Å; R228-D250 WeakPolarHBondContact CD-OD1 3.48Å; R228-D250 WeakPolarHBondContact CD-OD2 3.41Å
251Y65.4Low82.8Confident270 Ų27069.8 Ų69.8100%1.05933%0.33SS*.  trans-85.40172.8-69.3-81000110.3I249I249-Y251 HydrophobicContact CB-CE2 4.26Å; I249-Y251 HydrophobicContact CG2-CD1 4.18Å; I249-Y251 HydrophobicContact CG2-CD2 4.05Å; I249-Y251 HydrophobicContact CG2-CE1 3.97Å; I249-Y251 HydrophobicContact CG2-CE2 3.83Å; I249-Y251 HydrophobicContact CG2-CG 4.23Å

Retrieved 251 of 251 residues in 94.9 ms (Link to these results)

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