C4PY91_SCHMA Loading...

Ras-related protein Rab-14

AlphaFold DB , UniProt , Accession C4PY91, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 225 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.1Very low57.1Low242 Ų242105.5 Ų105.5100%1.19263%0.629SS**  097.20-65.4-179.7-133.400107.9
2S35.1Very low60.2Low121 Ų12198.3 Ų98.385%0.84659%0.585SS**  trans-95.6107.9171.363.30000108.7G4S2-G4 PolarHBondContact O-N 3.48Å
3I35.2Very low62.8Low177 Ų17790.8 Ų90.891%0.90854%0.54SS*.  trans-89.7102170-61.4174.4000105.5
4G38.4Very low65.2Low60 Ų6086.6 Ų86.662%0.61951%0.512SS*.  trans179.993.7174.100000106.8S2 G6S2-G4 PolarHBondContact O-N 3.48Å; G4-G6 PolarHBondContact O-N 2.89Å
5G34.5Very low67.3Low81 Ų8180.9 Ų80.984%0.83548%0.478SS*.  trans-61.377.3171.300000109.3Y7G5-Y7 PolarHBondContact O-N 3.22Å
6G46.7Very low69Low52 Ų5275.8 Ų75.854%0.53645%0.448SS..  trans-80.1103.8-172.100000108.3G4 N8G4-G6 PolarHBondContact O-N 2.89Å; G6-N8 PolarHBondContact O-N 2.67Å
7Y59.6Low70.6Confident183 Ų18371.4 Ų71.472%0.71842%0.422SS*.  trans-53.1107.9161.1-66.1-87.8000107.9G5 Y9 I53G5-Y7 PolarHBondContact O-N 3.22Å; Y7-Y9 WeakPolarHBondContact O-CD1 3.05Å; Y7-Y9 PolarHBondContact O-N 3.13Å; Y7-I53 HydrophobicContact CD1-CD1 4.27Å; Y7-I53 HydrophobicContact CG-CD1 3.88Å
8N81.4Confident71.9Confident131 Ų13167.4 Ų67.470%0.70140%0.398SS*.  trans-69.1118.4177.8-78.1-27.6000108.5G6 K60G6-N8 PolarHBondContact O-N 2.67Å; N8-K60 VanDerWaalsContact O-CB 3.31Å; N8-K60 WeakPolarHBondContact O-CB 3.36Å; N8-K60 WeakPolarHBondContact O-CD 3.43Å
9Y85.9Confident73.1Confident41 Ų4163.9 Ų63.916%0.16138%0.377CS..  trans-137.4146.1173.656.6-99.9000108.9Y7 I12 I53 K60 K62 K194Y7-Y9 WeakPolarHBondContact O-CD1 3.05Å; Y7-Y9 PolarHBondContact O-N 3.13Å; Y9-I12 HydrophobicContact CD2-CG1 4Å; Y9-I12 HydrophobicContact CE2-CD1 3.68Å; Y9-I12 HydrophobicContact CE2-CG1 3.39Å; Y9-I53 HydrophobicContact CD1-CD1 3.89Å; Y9-K60 CarbonylContact C-O 3.51Å; Y9-K60 WeakPolarHBondContact CA-O 3.39Å; Y9-K60 WeakPolarHBondContact CB-O 3.14Å; Y9-K62 HydrophobicContact CD1-CB 4.14Å; Y9-K62 HydrophobicContact CD1-CD 4.33Å; Y9-K62 HydrophobicContact CD2-CB 4.01Å; Y9-K62 HydrophobicContact CE1-CB 4.33Å; Y9-K62 HydrophobicContact CE1-CD 3.77Å; Y9-K62 HydrophobicContact CE2-CB 4.22Å; Y9-K62 HydrophobicContact CE2-CD 4.41Å; Y9-K62 HydrophobicContact CG-CB 3.97Å; Y9-K194 HydrophobicContact CD2-CD 3.88Å; Y9-K194 HydrophobicContact CD2-CG 4.48Å; Y9-K194 HydrophobicContact CE2-CD 3.59Å; Y9-K194 HydrophobicContact CE2-CG 4.1Å; Y9-K194 VanDerWaalsContact O-CD 3.32Å; Y9-K194 WeakPolarHBondContact O-CD 3.46Å; Y9-K194 WeakPolarHBondContact OH-CE 3.04Å; Y9-K194 PolarHBondContact OH-NZ 3.08Å
10S87.1Confident74.1Confident40 Ų4061.2 Ų61.228%0.2836%0.361SS..SBendtrans-89.8-36.4-177.4-56.10000111.3Q59 K60 S193 K194S10-Q59 VanDerWaalsContact CB-OE1 3.32Å; S10-Q59 PolarHBondContact OG-OE1 3.45Å; S10-K60 PolarHBondContact N-O 3.33Å; S10-S193 WeakPolarHBondContact O-CA 3.35Å; S10-K194 PolarHBondContact O-N 3.26Å
11Y91.2Very high75Confident32 Ų3261.8 Ų61.813%0.12536%0.361CS..EExtended strand (participates in β ladder)trans-127.5152.3-174.5-57.1-86000112.8F13 Q59 V61 K62 F174 V177 L184 V191 L192Y11-F13 HydrophobicContact CG-CE1 4.29Å; Y11-Q59 HydrophobicContact CD2-CB 4.49Å; Y11-Q59 HydrophobicContact CE2-CB 4.42Å; Y11-Q59 HydrophobicContact CE2-CG 4.36Å; Y11-V61 HydrophobicContact CD2-CG2 4.42Å; Y11-K62 PolarHBondContact O-N 3Å; Y11-F174 HydrophobicContact CD2-CD2 4.32Å; Y11-F174 HydrophobicContact CD2-CE2 4.06Å; Y11-F174 HydrophobicContact CE2-CD2 4.26Å; Y11-F174 AromaticContact CE2-CE2 3.62Å; Y11-F174 HydrophobicContact CE2-CE2 3.62Å; Y11-V177 HydrophobicContact CE1-CG1 4.15Å; Y11-L184 HydrophobicContact CD1-CD2 4.08Å; Y11-L184 HydrophobicContact CE1-CD1 4.32Å; Y11-L184 HydrophobicContact CE1-CD2 3.91Å; Y11-V191 HydrophobicContact CD1-CG1 4.08Å; Y11-L192 CarbonylContact C-O 3.49Å; Y11-L192 VanDerWaalsContact CA-O 3.26Å; Y11-L192 WeakPolarHBondContact CA-O 3.48Å
12I93.7Very high77.8Confident20 Ų2052.1 Ų52.110%0.10332%0.324CS..EExtended strand (participates in β ladder)trans-119125.3166-52.6177000108.2Y9 K62 Q64 V191 L192Y9-I12 HydrophobicContact CD2-CG1 4Å; Y9-I12 HydrophobicContact CE2-CD1 3.68Å; Y9-I12 HydrophobicContact CE2-CG1 3.39Å; I12-K62 CarbonylContact C-O 3.55Å; I12-K62 VanDerWaalsContact CA-O 3.27Å; I12-K62 WeakPolarHBondContact CA-O 3.46Å; I12-K62 HydrophobicContact CG1-CB 4.38Å; I12-Q64 HydrophobicContact CG2-CG 3.79Å; I12-V191 WeakPolarHBondContact O-CA 3.37Å; I12-L192 HydrophobicContact CB-CB 4.13Å; I12-L192 HydrophobicContact CD1-CB 4.37Å; I12-L192 HydrophobicContact CD1-CD1 4.15Å; I12-L192 HydrophobicContact CG1-CB 4.41Å; I12-L192 PolarHBondContact N-O 3.14Å; I12-L192 PolarHBondContact O-N 3.04Å; I12-L192 VanDerWaalsContact O-N 3.1Å
13F95.1Very high80.6Confident0 Ų046.3 Ų46.30%028%0.283CS..EExtended strand (participates in β ladder)trans-111.7130.9173.1-60.1-19.5000110.1Y11 Y15 V61 K62 I63 Q64 A170 I173 F174 V191Y11-F13 HydrophobicContact CG-CE1 4.29Å; F13-Y15 HydrophobicContact CB-CD1 4.37Å; F13-Y15 HydrophobicContact CB-CE1 3.82Å; F13-V61 HydrophobicContact CB-CG1 4.44Å; F13-V61 HydrophobicContact CD1-CG1 4.24Å; F13-V61 HydrophobicContact CD2-CG1 3.38Å; F13-V61 HydrophobicContact CE1-CG1 4.34Å; F13-V61 HydrophobicContact CE2-CB 4.48Å; F13-V61 HydrophobicContact CE2-CG1 3.51Å; F13-V61 HydrophobicContact CE2-CG2 4.24Å; F13-V61 HydrophobicContact CG-CG1 3.76Å; F13-V61 HydrophobicContact CZ-CG1 4Å; F13-V61 HydrophobicContact CZ-CG2 4.36Å; F13-K62 PolarHBondContact N-O 3.18Å; F13-I63 WeakPolarHBondContact O-CA 3.32Å; F13-Q64 PolarHBondContact O-N 3.2Å; F13-A170 HydrophobicContact CD2-CB 4.15Å; F13-A170 HydrophobicContact CE2-CB 4.21Å; F13-A170 WeakPolarHBondContact CE2-O 3.49Å; F13-I173 HydrophobicContact CD1-CG2 3.8Å; F13-I173 HydrophobicContact CD2-CB 4.12Å; F13-I173 HydrophobicContact CD2-CD1 4.34Å; F13-I173 HydrophobicContact CD2-CG2 3.91Å; F13-I173 HydrophobicContact CE1-CG2 3.71Å; F13-I173 HydrophobicContact CE2-CB 3.97Å; F13-I173 HydrophobicContact CE2-CG2 3.82Å; F13-I173 HydrophobicContact CG-CG2 3.92Å; F13-I173 HydrophobicContact CZ-CB 4.29Å; F13-I173 HydrophobicContact CZ-CG2 3.73Å; F13-F174 HydrophobicContact CE2-CB 4.34Å; F13-F174 HydrophobicContact CZ-CB 4.12Å; F13-F174 HydrophobicContact CZ-CD2 4.41Å; F13-V191 HydrophobicContact CD1-CB 4.28Å; F13-V191 HydrophobicContact CD1-CG1 3.83Å; F13-V191 HydrophobicContact CD1-CG2 3.79Å; F13-V191 HydrophobicContact CE1-CB 4.36Å; F13-V191 HydrophobicContact CE1-CG1 3.56Å; F13-V191 HydrophobicContact CE1-CG2 3.94Å
14K95.5Very high83.5Confident33 Ų3338.5 Ų38.514%0.14325%0.246CC..EExtended strand (participates in β ladder)trans-97.3119.1177.3176174.1166.5-168.90110.6Y81 R83 G84 A85 S86 G87 G190K14-Y81 WeakPolarHBondContact CE-O 3.43Å; K14-Y81 PolarHBondContact NZ-O 2.88Å; K14-R83 PolarHBondContact NZ-O 3.02Å; K14-G84 WeakPolarHBondContact CB-O 3.33Å; K14-G84 WeakPolarHBondContact CD-O 3.38Å; K14-A85 CarbonylContact O-C 3.58Å; K14-A85 WeakPolarHBondContact O-CA 3.31Å; K14-S86 PolarHBondContact N-OG 3.04Å; K14-S86 PolarHBondContact O-N 3.15Å; K14-S86 PolarHBondContact O-OG 2.81Å; K14-G87 PolarHBondContact O-N 3.19Å; K14-G190 PolarHBondContact N-O 3.4Å
15Y96.9Very high86.2Confident0 Ų036 Ų360%022%0.218CC..EExtended strand (participates in β ladder)trans-108.5142.2177.4-72.314.2000110.7F13 I63 Q64 W66 G87 L89 F166 T169 A170 I173F13-Y15 HydrophobicContact CB-CD1 4.37Å; F13-Y15 HydrophobicContact CB-CE1 3.82Å; Y15-I63 HydrophobicContact CD1-CG2 4.16Å; Y15-I63 HydrophobicContact CD2-CG2 3.67Å; Y15-I63 HydrophobicContact CE1-CG2 4.29Å; Y15-I63 HydrophobicContact CE2-CD1 4.1Å; Y15-I63 HydrophobicContact CE2-CG2 3.85Å; Y15-I63 HydrophobicContact CG-CG2 3.82Å; Y15-Q64 PolarHBondContact N-O 3Å; Y15-W66 PolarHBondContact O-N 3Å; Y15-G87 VanDerWaalsContact CA-O 3.27Å; Y15-G87 WeakPolarHBondContact CA-O 3.1Å; Y15-L89 HydrophobicContact CD2-CD1 4.24Å; Y15-L89 HydrophobicContact CD2-CG 4.47Å; Y15-F166 AromaticContact CD2-CD1 3.87Å; Y15-F166 HydrophobicContact CD2-CD1 3.87Å; Y15-F166 HydrophobicContact CD2-CE1 4.26Å; Y15-F166 HydrophobicContact CE2-CD1 4.01Å; Y15-F166 PolarHBondContact OH-O 3.41Å; Y15-T169 HydrophobicContact CE1-CG2 4.01Å; Y15-T169 HydrophobicContact CE2-CG2 3.73Å; Y15-T169 VanDerWaalsContact CZ-CG2 3.45Å; Y15-T169 WeakPolarHBondContact OH-CB 3.27Å; Y15-T169 WeakPolarHBondContact OH-CG2 3.06Å; Y15-A170 WeakPolarHBondContact OH-CA 3.06Å; Y15-A170 VanDerWaalsContact OH-CB 3.29Å; Y15-A170 WeakPolarHBondContact OH-CB 3.33Å; Y15-A170 PolarHBondContact OH-N 3.08Å; Y15-I173 HydrophobicContact CD1-CD1 4.27Å; Y15-I173 HydrophobicContact CE1-CD1 3.35Å
16I95.3Very high89Confident0 Ų032.6 Ų32.60%018%0.182CC..EExtended strand (participates in β ladder)trans-115.7137.8167-167179.3000109.5V18 W66 T68 T78 Y82 A85 G87 A88 L89I16-V18 HydrophobicContact CD1-CG1 3.77Å; I16-V18 HydrophobicContact CG1-CG1 3.82Å; I16-V18 HydrophobicContact CG2-CG1 4.46Å; I16-W66 WeakPolarHBondContact CA-O 3.32Å; I16-T68 HydrophobicContact CD1-CG2 4Å; I16-T68 HydrophobicContact CG1-CG2 3.81Å; I16-T78 HydrophobicContact CD1-CG2 4.31Å; I16-Y82 HydrophobicContact CD1-CD1 3.95Å; I16-Y82 HydrophobicContact CD1-CD2 3.96Å; I16-Y82 HydrophobicContact CD1-CE1 4.16Å; I16-Y82 HydrophobicContact CD1-CE2 4.21Å; I16-Y82 HydrophobicContact CD1-CG 3.88Å; I16-Y82 HydrophobicContact CG2-CD1 4.1Å; I16-Y82 HydrophobicContact CG2-CE1 4.31Å; I16-A85 HydrophobicContact CB-CB 4.46Å; I16-A85 HydrophobicContact CG2-CB 4.07Å; I16-G87 PolarHBondContact N-O 3.38Å; I16-A88 HydrophobicContact CG2-CB 3.96Å; I16-L89 PolarHBondContact O-N 3.27Å
17I96Very high91.3Very high1 Ų131 Ų311%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-107.5123.4171.8-43.4-172.4000108.9K25 M29 I65 W66 T68 L89 V91 F166I17-K25 HydrophobicContact CB-CB 4.43Å; I17-K25 HydrophobicContact CG2-CB 3.69Å; I17-K25 HydrophobicContact CG2-CD 3.91Å; I17-K25 HydrophobicContact CG2-CG 3.76Å; I17-M29 HydrophobicContact CD1-CB 4.1Å; I17-I65 HydrophobicContact CD1-CG2 3.54Å; I17-I65 HydrophobicContact CG1-CG2 3.77Å; I17-W66 PolarHBondContact N-O 2.82Å; I17-T68 PolarHBondContact O-N 3.4Å; I17-T68 PolarHBondContact O-OG1 2.72Å; I17-L89 WeakPolarHBondContact CA-O 3.4Å; I17-L89 HydrophobicContact CD1-CD1 4.34Å; I17-L89 HydrophobicContact CG1-CB 4.31Å; I17-L89 HydrophobicContact CG1-CD1 4.16Å; I17-L89 HydrophobicContact CG2-CB 4.2Å; I17-V91 HydrophobicContact CG2-CG2 3.57Å; I17-F166 HydrophobicContact CD1-CE1 4.46Å; I17-F166 HydrophobicContact CD1-CZ 4.12Å
18V94.5Very high93.1Very high0 Ų022.5 Ų22.50%013%0.129CC..EExtended strand (participates in β ladder)trans-133.1158-176.2-59.40000110.8I16 T78 Y82 L89 L90 V91 W106I16-V18 HydrophobicContact CD1-CG1 3.77Å; I16-V18 HydrophobicContact CG1-CG1 3.82Å; I16-V18 HydrophobicContact CG2-CG1 4.46Å; V18-T78 HydrophobicContact CG1-CG2 4.1Å; V18-Y82 HydrophobicContact CG1-CE1 4.09Å; V18-Y82 HydrophobicContact CG1-CE2 4.47Å; V18-Y82 WeakPolarHBondContact CG1-OH 3.26Å; V18-L89 PolarHBondContact N-O 3.43Å; V18-L90 HydrophobicContact CG2-CD1 4.04Å; V18-L90 HydrophobicContact CG2-CG 3.94Å; V18-V91 PolarHBondContact O-N 3.01Å; V18-W106 HydrophobicContact CB-CD2 4.46Å; V18-W106 HydrophobicContact CB-CE3 3.86Å; V18-W106 HydrophobicContact CB-CZ3 4.25Å; V18-W106 HydrophobicContact CG2-CB 4.39Å; V18-W106 HydrophobicContact CG2-CE3 4.37Å
19G94.5Very high93.7Very high0 Ų016.4 Ų16.40%010%0.096CC..  trans138.9167.1-170.800000110.9K25 G70 V91G19-K25 WeakPolarHBondContact O-CE 3.41Å; G19-K25 PolarHBondContact O-NZ 2.84Å; G19-G70 WeakPolarHBondContact O-CA 3.35Å; G19-V91 WeakPolarHBondContact CA-O 3.3Å
20D93Very high94.1Very high10 Ų1015.7 Ų15.75%0.0539%0.094CC..  trans-63.4168.1-173.4-71.5-5.1000114.1V23 K25 T99 R102 W106D20-V23 HydrophobicContact CB-CG1 3.86Å; D20-V23 VanDerWaalsContact O-CG2 3.24Å; D20-V23 WeakPolarHBondContact O-CG2 3.4Å; D20-K25 PolarHBondContact O-NZ 2.8Å; D20-T99 HydrophobicContact CB-CG2 4.15Å; D20-T99 WeakPolarHBondContact OD2-CA 3.45Å; D20-R102 VanDerWaalsContact CG-NE 3.34Å; D20-R102 IonicContact OD1-NE 3.43Å; D20-R102 PolarHBondContact OD1-NE 3.33Å; D20-R102 IonicContact OD2-CZ 3.05Å; D20-R102 IonicContact OD2-NE 2.63Å; D20-R102 PolarHBondContact OD2-NE 3.28Å; D20-R102 IonicContact OD2-NH2 2.66Å; D20-R102 PolarHBondContact OD2-NH2 3.36Å; D20-W106 PolarHBondContact OD1-NE1 3.43Å
21M91.7Very high94.6Very high73 Ų7314.6 Ų14.636%0.369%0.085SC..THydrogen-bonded Turntrans-60.7140.2170-168.4175.574.500111.4V23 H43 G70 Q71 R96M21-V23 VanDerWaalsContact C-N 3.26Å; M21-V23 PolarHBondContact O-N 2.68Å; M21-H43 HydrophobicContact SD-CB 4.33Å; M21-H43 VanDerWaalsContact SD-CD2 3.56Å; M21-G70 PolarHBondContact N-O 3.23Å; M21-G70 VanDerWaalsContact N-O 3.15Å; M21-Q71 HydrophobicContact CB-CG 4.34Å; M21-Q71 HydrophobicContact CG-CG 4.3Å; M21-Q71 HydrophobicContact SD-CG 3.43Å; M21-Q71 WeakPolarHBondContact SD-CG 3.13Å; M21-R96 PolarHBondContact O-NH2 3.23Å
22G92.1Very high94.8Very high39 Ų3913 Ų1340%0.4028%0.079SC..THydrogen-bonded Turntrans74.74174.100000115.9G24 R96 K126G22-G24 PolarHBondContact O-N 2.85Å; G22-R96 PolarHBondContact O-NH2 2.89Å; G22-K126 WeakPolarHBondContact O-CE 3.36Å; G22-K126 PolarHBondContact O-NZ 2.87Å
23V95.4Very high94.8Very high0 Ų013.6 Ų13.60%08%0.083CC..SBendtrans-73.4-15.6174.9-55.10000112.9D20 M21 K25 V91 D93 T99 N125D20-V23 HydrophobicContact CB-CG1 3.86Å; D20-V23 VanDerWaalsContact O-CG2 3.24Å; D20-V23 WeakPolarHBondContact O-CG2 3.4Å; M21-V23 VanDerWaalsContact C-N 3.26Å; M21-V23 PolarHBondContact O-N 2.68Å; V23-K25 HydrophobicContact CG2-CD 4.32Å; V23-K25 HydrophobicContact CG2-CG 3.61Å; V23-V91 HydrophobicContact CB-CG1 4.14Å; V23-V91 HydrophobicContact CG2-CB 3.83Å; V23-V91 HydrophobicContact CG2-CG1 3.71Å; V23-D93 HydrophobicContact CB-CB 4.28Å; V23-D93 HydrophobicContact CG1-CB 4.11Å; V23-T99 HydrophobicContact CG1-CG2 3.9Å; V23-N125 PolarHBondContact O-ND2 2.8Å
24G94.8Very high94.7Very high12 Ų1217.6 Ų17.612%0.12410%0.101CC..  trans98.328.6175.500000115.9G22 C27 L28G22-G24 PolarHBondContact O-N 2.85Å; G24-C27 PolarHBondContact O-N 2.93Å; G24-L28 WeakPolarHBondContact O-CG 3.39Å; G24-L28 PolarHBondContact O-N 3.32Å
25K95Very high94.6Very high9 Ų921.9 Ų21.94%0.03912%0.12CC..Hα-helixtrans-56.5-53.2178-58.5-171.4-60.6-71.20113.1I17 G19 D20 V23 C27 L28 M29 D67 T68 V91I17-K25 HydrophobicContact CB-CB 4.43Å; I17-K25 HydrophobicContact CG2-CB 3.69Å; I17-K25 HydrophobicContact CG2-CD 3.91Å; I17-K25 HydrophobicContact CG2-CG 3.76Å; G19-K25 WeakPolarHBondContact O-CE 3.41Å; G19-K25 PolarHBondContact O-NZ 2.84Å; D20-K25 PolarHBondContact O-NZ 2.8Å; V23-K25 HydrophobicContact CG2-CD 4.32Å; V23-K25 HydrophobicContact CG2-CG 3.61Å; K25-C27 VanDerWaalsContact C-N 3.33Å; K25-C27 PolarHBondContact O-N 3.29Å; K25-L28 WeakPolarHBondContact O-CB 3.39Å; K25-L28 PolarHBondContact O-N 2.85Å; K25-M29 PolarHBondContact O-N 2.86Å; K25-D67 WeakPolarHBondContact CB-OD1 3.41Å; K25-T68 WeakPolarHBondContact CE-O 3.5Å; K25-V91 HydrophobicContact CG-CB 4.1Å; K25-V91 HydrophobicContact CG-CG2 4.13Å
26S94Very high94Very high9 Ų927.3 Ų27.36%0.06314%0.144CC..Hα-helixtrans-61.6-41.9177.1-37.30000111.2L28 M29 H30 T44 D67S26-L28 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact O-N 3.11Å; S26-M29 WeakPolarHBondContact O-CB 3.25Å; S26-M29 PolarHBondContact O-N 2.88Å; S26-H30 PolarHBondContact O-CD2 2.83Å; S26-H30 PolarHBondContact O-N 3.03Å; S26-T44 PolarHBondContact OG-OG1 2.98Å; S26-D67 VanDerWaalsContact CA-OD2 3.31Å; S26-D67 WeakPolarHBondContact CA-OD2 3.47Å; S26-D67 WeakPolarHBondContact CB-OD2 3.27Å; S26-D67 PolarHBondContact OG-OD2 3.15Å
27C95.1Very high93.5Very high18 Ų1831.3 Ų31.312%0.12216%0.161CC..Hα-helixtrans-60.6-41176-54.50000112.4G24 K25 Q31 F37 A156G24-C27 PolarHBondContact O-N 2.93Å; K25-C27 VanDerWaalsContact C-N 3.33Å; K25-C27 PolarHBondContact O-N 3.29Å; C27-Q31 WeakPolarHBondContact O-CB 3.26Å; C27-Q31 PolarHBondContact O-N 2.78Å; C27-F37 HydrophobicContact CB-CD2 4.49Å; C27-F37 HydrophobicContact CB-CE2 4.37Å; C27-A156 HydrophobicContact CB-CB 3.61Å
28L96.4Very high92.8Very high5 Ų534.5 Ų34.53%0.02618%0.178CC..Hα-helixtrans-64.1-43.1174.4-73.4169.4000111.5G24 K25 S26 Q31 F32 V91 I123 N125 C154 A156 V162G24-L28 WeakPolarHBondContact O-CG 3.39Å; G24-L28 PolarHBondContact O-N 3.32Å; K25-L28 WeakPolarHBondContact O-CB 3.39Å; K25-L28 PolarHBondContact O-N 2.85Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact O-N 3.11Å; L28-Q31 PolarHBondContact O-N 2.77Å; L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 2.9Å; L28-V91 HydrophobicContact CD1-CG1 3.76Å; L28-V91 HydrophobicContact CD1-CG2 3.93Å; L28-I123 HydrophobicContact CD1-CG2 4.1Å; L28-N125 HydrophobicContact CD1-CB 4.27Å; L28-C154 HydrophobicContact CD2-CB 4.07Å; L28-A156 HydrophobicContact CD2-CB 3.98Å; L28-A156 HydrophobicContact CG-CB 4.19Å; L28-V162 HydrophobicContact CD2-CG1 4.47Å; L28-V162 HydrophobicContact CD2-CG2 3.77Å
29M95.7Very high92Very high2 Ų238.5 Ų38.51%0.0120%0.204CC..Hα-helixtrans-58.9-54.7175.5179.6-178.266.200111.1I17 K25 S26 Q31 F32 T33 E48 S50 I65 D67I17-M29 HydrophobicContact CD1-CB 4.1Å; K25-M29 PolarHBondContact O-N 2.86Å; S26-M29 WeakPolarHBondContact O-CB 3.25Å; S26-M29 PolarHBondContact O-N 2.88Å; M29-Q31 VanDerWaalsContact C-N 3.32Å; M29-Q31 PolarHBondContact O-N 3.42Å; M29-F32 PolarHBondContact O-N 3.32Å; M29-T33 HydrophobicContact CG-CG2 4.5Å; M29-T33 WeakPolarHBondContact O-CG2 3.34Å; M29-T33 PolarHBondContact O-N 2.63Å; M29-T33 PolarHBondContact O-OG1 3.29Å; M29-E48 HydrophobicContact CE-CB 3.97Å; M29-S50 VanDerWaalsContact SD-CB 3.58Å; M29-I65 HydrophobicContact CB-CG2 4.44Å; M29-I65 HydrophobicContact CG-CB 4.39Å; M29-I65 HydrophobicContact CG-CD1 4.39Å; M29-I65 HydrophobicContact CG-CG2 3.92Å; M29-I65 HydrophobicContact SD-CB 4.36Å; M29-I65 HydrophobicContact SD-CG2 3.94Å; M29-D67 HydrophobicContact CE-CB 3.92Å; M29-D67 HydrophobicContact SD-CB 3.73Å
30H94.1Very high91.1Very high26 Ų2646.2 Ų46.212%0.1225%0.245CC..Hα-helixtrans-62.7-37.3179-69.1-66.6000112.6S26 F32 T33 E34 K35 E48S26-H30 PolarHBondContact O-CD2 2.83Å; S26-H30 PolarHBondContact O-N 3.03Å; H30-F32 VanDerWaalsContact C-N 3.29Å; H30-F32 PolarHBondContact O-N 2.76Å; H30-T33 PolarHBondContact O-N 3.2Å; H30-E34 IonicContact CE1-OE1 3.39Å; H30-E34 IonicContact ND1-OE1 3.97Å; H30-E34 PolarHBondContact ND1-OE1 2.78Å; H30-E34 WeakPolarHBondContact O-CA 3.49Å; H30-E34 WeakPolarHBondContact O-CB 3.44Å; H30-E34 PolarHBondContact O-N 2.8Å; H30-K35 PolarHBondContact O-N 3.34Å; H30-E48 IonicContact NE2-OE2 3.64Å
31Q96.2Very high90.3Very high17 Ų1747.3 Ų47.38%0.07925%0.253CS..Hα-helixtrans-66.8-34.2177.5-176.764.6-45.800111.6C27 L28 M29 K35 K36 A156 G159 V162C27-Q31 WeakPolarHBondContact O-CB 3.26Å; C27-Q31 PolarHBondContact O-N 2.78Å; L28-Q31 PolarHBondContact O-N 2.77Å; M29-Q31 VanDerWaalsContact C-N 3.32Å; M29-Q31 PolarHBondContact O-N 3.42Å; Q31-K35 WeakPolarHBondContact O-CA 3.41Å; Q31-K35 PolarHBondContact O-N 3.18Å; Q31-K35 VanDerWaalsContact OE1-CA 3.29Å; Q31-K36 WeakPolarHBondContact CA-O 3.27Å; Q31-K36 PolarHBondContact N-O 2.79Å; Q31-A156 WeakPolarHBondContact CG-O 3.23Å; Q31-A156 PolarHBondContact NE2-O 3.12Å; Q31-A156 VanDerWaalsContact NE2-O 3.1Å; Q31-G159 VanDerWaalsContact NE2-CA 3.26Å; Q31-V162 HydrophobicContact CB-CG1 4.19Å; Q31-V162 HydrophobicContact CG-CB 4.25Å; Q31-V162 HydrophobicContact CG-CG1 4.08Å; Q31-V162 HydrophobicContact CG-CG2 3.99Å
32F96.5Very high89.7Confident0 Ų048.5 Ų48.50%027%0.266CS..Hα-helixtrans-71.8-46.2173.5175.4-114.2000112.5L28 M29 H30 K52 I54 I63 I65 V162 E163 F166L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 2.9Å; M29-F32 PolarHBondContact O-N 3.32Å; H30-F32 VanDerWaalsContact C-N 3.29Å; H30-F32 PolarHBondContact O-N 2.76Å; F32-K52 HydrophobicContact CD1-CB 4.38Å; F32-K52 HydrophobicContact CD1-CD 4.08Å; F32-K52 HydrophobicContact CD2-CD 4.35Å; F32-K52 HydrophobicContact CE1-CB 3.75Å; F32-K52 HydrophobicContact CE1-CD 3.74Å; F32-K52 HydrophobicContact CE1-CG 4.14Å; F32-K52 HydrophobicContact CE2-CD 4.01Å; F32-K52 VanDerWaalsContact CE2-NZ 3.31Å; F32-K52 HydrophobicContact CG-CD 4.38Å; F32-K52 HydrophobicContact CZ-CB 4.25Å; F32-K52 HydrophobicContact CZ-CD 3.7Å; F32-K52 HydrophobicContact CZ-CG 4.17Å; F32-K52 VanDerWaalsContact O-CD 3.25Å; F32-K52 WeakPolarHBondContact O-CD 3.38Å; F32-K52 PolarHBondContact O-NZ 3.47Å; F32-I54 HydrophobicContact CE2-CG2 4.27Å; F32-I54 HydrophobicContact CZ-CG2 3.78Å; F32-I63 HydrophobicContact CE1-CD1 4.41Å; F32-I63 HydrophobicContact CZ-CD1 4.11Å; F32-I65 HydrophobicContact CD1-CD1 3.56Å; F32-I65 HydrophobicContact CE1-CD1 3.84Å; F32-V162 HydrophobicContact CB-CG1 3.93Å; F32-E163 WeakPolarHBondContact CD2-OE2 3.45Å; F32-E163 WeakPolarHBondContact CE2-OE1 3.33Å; F32-F166 HydrophobicContact CB-CD2 3.69Å; F32-F166 HydrophobicContact CB-CE2 3.57Å; F32-F166 HydrophobicContact CB-CG 4.35Å; F32-F166 HydrophobicContact CB-CZ 4.12Å; F32-F166 HydrophobicContact CD1-CB 4.34Å; F32-F166 AromaticContact CD1-CD1 3.82Å; F32-F166 HydrophobicContact CD1-CD1 3.82Å; F32-F166 HydrophobicContact CD1-CD2 4.02Å; F32-F166 HydrophobicContact CD1-CE1 4.09Å; F32-F166 HydrophobicContact CD1-CE2 4.29Å; F32-F166 AromaticContact CD1-CG 3.8Å; F32-F166 HydrophobicContact CD1-CG 3.8Å; F32-F166 HydrophobicContact CD1-CZ 4.32Å; F32-F166 HydrophobicContact CD2-CB 3.75Å; F32-F166 AromaticContact CD2-CD2 3.63Å; F32-F166 HydrophobicContact CD2-CD2 3.63Å; F32-F166 HydrophobicContact CD2-CE2 4.39Å; F32-F166 AromaticContact CD2-CG 3.74Å; F32-F166 HydrophobicContact CD2-CG 3.74Å; F32-F166 HydrophobicContact CE1-CB 4.05Å; F32-F166 AromaticContact CE1-CD1 3.9Å; F32-F166 HydrophobicContact CE1-CD1 3.9Å; F32-F166 AromaticContact CE1-CG 3.93Å; F32-F166 HydrophobicContact CE1-CG 3.93Å; F32-F166 HydrophobicContact CE2-CB 3.44Å; F32-F166 VanDerWaalsContact CE2-CB 3.44Å; F32-F166 HydrophobicContact CE2-CD2 4.24Å; F32-F166 AromaticContact CE2-CG 3.9Å; F32-F166 HydrophobicContact CE2-CG 3.9Å; F32-F166 HydrophobicContact CG-CB 4.19Å; F32-F166 HydrophobicContact CG-CD1 4.16Å; F32-F166 AromaticContact CG-CD2 3.49Å; F32-F166 HydrophobicContact CG-CD2 3.49Å; F32-F166 VanDerWaalsContact CG-CD2 3.49Å; F32-F166 HydrophobicContact CG-CE1 4.45Å; F32-F166 AromaticContact CG-CE2 3.85Å; F32-F166 HydrophobicContact CG-CE2 3.85Å; F32-F166 AromaticContact CG-CG 3.69Å; F32-F166 HydrophobicContact CG-CG 3.69Å; F32-F166 HydrophobicContact CG-CZ 4.31Å; F32-F166 HydrophobicContact CZ-CB 3.6Å; F32-F166 HydrophobicContact CZ-CD1 4.33Å; F32-F166 AromaticContact CZ-CG 3.99Å; F32-F166 HydrophobicContact CZ-CG 3.99Å
33T94.3Very high89.2Confident32 Ų3251.7 Ų51.720%0.19627%0.271CS..Hα-helixtrans-84-36.6-17158.30000113.7M29 H30 S50 K52 I65M29-T33 HydrophobicContact CG-CG2 4.5Å; M29-T33 WeakPolarHBondContact O-CG2 3.34Å; M29-T33 PolarHBondContact O-N 2.63Å; M29-T33 PolarHBondContact O-OG1 3.29Å; H30-T33 PolarHBondContact O-N 3.2Å; T33-S50 WeakPolarHBondContact CG2-OG 3.47Å; T33-K52 HydrophobicContact CG2-CB 4.21Å; T33-I65 HydrophobicContact CG2-CD1 3.99Å
34E92.6Very high88.3Confident83 Ų8352.3 Ų52.339%0.38827%0.274SS..Hα-helixtrans-117.1-8.6-173.1-62.9178.9-131.400114.2H30 K36H30-E34 IonicContact CE1-OE1 3.39Å; H30-E34 IonicContact ND1-OE1 3.97Å; H30-E34 PolarHBondContact ND1-OE1 2.78Å; H30-E34 WeakPolarHBondContact O-CA 3.49Å; H30-E34 WeakPolarHBondContact O-CB 3.44Å; H30-E34 PolarHBondContact O-N 2.8Å; E34-K36 HydrophobicContact CB-CB 4.3Å; E34-K36 HydrophobicContact CB-CD 4.18Å; E34-K36 HydrophobicContact CB-CG 4.15Å; E34-K36 PolarHBondContact O-N 3.46Å; E34-K36 IonicContact OE2-NZ 2.68Å; E34-K36 PolarHBondContact OE2-NZ 3.23Å
35K91.8Very high87.4Confident123 Ų12358.5 Ų58.554%0.53530%0.303SS..SBendtrans55.735.9-171.9-57.3-69.2170.9-170.60112.6H30 Q31 E163H30-K35 PolarHBondContact O-N 3.34Å; Q31-K35 WeakPolarHBondContact O-CA 3.41Å; Q31-K35 PolarHBondContact O-N 3.18Å; Q31-K35 VanDerWaalsContact OE1-CA 3.29Å; K35-E163 IonicContact NZ-OE2 3.55Å; K35-E163 PolarHBondContact NZ-OE2 3.23Å
36K86.2Confident86.5Confident114 Ų11458.9 Ų58.950%0.49631%0.31SS..  trans-121.6141.9178.4-66.5177.8-161.31540111.1Q31 E34Q31-K36 WeakPolarHBondContact CA-O 3.27Å; Q31-K36 PolarHBondContact N-O 2.79Å; E34-K36 HydrophobicContact CB-CB 4.3Å; E34-K36 HydrophobicContact CB-CD 4.18Å; E34-K36 HydrophobicContact CB-CG 4.15Å; E34-K36 PolarHBondContact O-N 3.46Å; E34-K36 IonicContact OE2-NZ 2.68Å; E34-K36 PolarHBondContact OE2-NZ 3.23Å
37F83.5Confident86Confident84 Ų8460.1 Ų60.137%0.36832%0.317SS..  trans-104124.1163.9179.7-106.8000109.2C27 P39 A156 K157C27-F37 HydrophobicContact CB-CD2 4.49Å; C27-F37 HydrophobicContact CB-CE2 4.37Å; F37-P39 HydrophobicContact CE1-CB 4.13Å; F37-P39 WeakPolarHBondContact O-CD 3.31Å; F37-A156 HydrophobicContact CD2-CB 4.4Å; F37-A156 WeakPolarHBondContact CD2-O 3.49Å; F37-A156 HydrophobicContact CE2-CB 4.5Å; F37-K157 HydrophobicContact CD1-CG 4.17Å; F37-K157 VanDerWaalsContact CD2-CA 3.49Å; F37-K157 HydrophobicContact CD2-CB 4.15Å; F37-K157 HydrophobicContact CE1-CB 4.43Å; F37-K157 HydrophobicContact CE1-CG 4.07Å; F37-K157 HydrophobicContact CE2-CB 4.02Å; F37-K157 HydrophobicContact CG-CB 4.39Å; F37-K157 HydrophobicContact CG-CG 4.43Å; F37-K157 HydrophobicContact CZ-CB 4.17Å; F37-K157 HydrophobicContact CZ-CG 4.26Å
38I82.4Confident85.8Confident68 Ų6862.6 Ų62.635%0.34933%0.326SS..  trans-100.2103175.8-58.2173.5000107C41I38-C41 HydrophobicContact CG2-CB 4.42Å
39P77.1Confident85.6Confident84 Ų8467.1 Ų67.155%0.54535%0.346SS..THydrogen-bonded Turntrans-61.4147.9169.927.7-32.9000109.3F37 C41F37-P39 HydrophobicContact CE1-CB 4.13Å; F37-P39 WeakPolarHBondContact O-CD 3.31Å; P39-C41 PolarHBondContact O-N 3.31Å
40D76.3Confident85.5Confident163 Ų16368.2 Ų68.287%0.87235%0.354SS*.THydrogen-bonded Turntrans54.836.1179.6-52.4-42.4000114.3
41C75.6Confident85.5Confident33 Ų3369.4 Ų69.422%0.22336%0.363CS..PPolyproline II helixtrans-52.1121.5175.3-176.70000110.2I38 P39I38-C41 HydrophobicContact CG2-CB 4.42Å; P39-C41 PolarHBondContact O-N 3.31Å
42P79.2Confident85.5Confident98 Ų9870.5 Ų70.564%0.63637%0.368SS*.PPolyproline II helixtrans-61.6153.9-17825.8-33.9000110.4T44P42-T44 PolarHBondContact O-N 3.17Å
43H82Confident85.4Confident106 Ų10673.2 Ų73.249%0.49138%0.382SS..PPolyproline II helixtrans-62.1125.1174.5-63.4-37.1000110.2M21 I45M21-H43 HydrophobicContact SD-CB 4.33Å; M21-H43 VanDerWaalsContact SD-CD2 3.56Å; H43-I45 PolarHBondContact O-N 3.49Å
44T75.6Confident85.5Confident12 Ų1272.4 Ų72.47%0.07438%0.376CS..PPolyproline II helixtrans-55.3123.6174.8-34.90000110.1S26 P42 E48 A69S26-T44 PolarHBondContact OG-OG1 2.98Å; P42-T44 PolarHBondContact O-N 3.17Å; T44-E48 HydrophobicContact CG2-CB 4.48Å; T44-E48 HydrophobicContact CG2-CG 3.93Å; T44-A69 VanDerWaalsContact O-CB 3.23Å; T44-A69 WeakPolarHBondContact O-CB 3.3Å
45I76.5Confident85.5Confident142 Ų14274.1 Ų74.173%0.72838%0.384SS*.  trans-100.2114.5172.2-59.2176.9000107.1H43 V47 F74H43-I45 PolarHBondContact O-N 3.49Å; I45-V47 PolarHBondContact O-N 3.43Å; I45-F74 HydrophobicContact CG2-CZ 4.4Å
46G75.7Confident85.6Confident18 Ų1868.5 Ų68.519%0.18636%0.36CS..SBendtrans78.5-116.8-175.700000112.4A69G46-A69 WeakPolarHBondContact O-CB 3.38Å; G46-A69 PolarHBondContact O-N 3.49Å
47V84.1Confident85.7Confident34 Ų3467.7 Ų67.721%0.20636%0.361CS..EExtended strand (participates in β ladder)trans-143.6136.3-174.9175.80000110.7I45 W66 D67 T68 V77 Y81I45-V47 PolarHBondContact O-N 3.43Å; V47-W66 HydrophobicContact CG1-CB 4.28Å; V47-W66 HydrophobicContact CG1-CE3 3.8Å; V47-D67 CarbonylContact C-O 3.58Å; V47-D67 WeakPolarHBondContact CA-O 3.38Å; V47-D67 VanDerWaalsContact CG1-O 3.29Å; V47-D67 WeakPolarHBondContact CG1-O 3.19Å; V47-T68 HydrophobicContact CG2-CG2 4.03Å; V47-V77 HydrophobicContact CG2-CG1 4.42Å; V47-Y81 HydrophobicContact CB-CE1 4.27Å; V47-Y81 HydrophobicContact CB-CE2 4.01Å; V47-Y81 HydrophobicContact CG1-CD1 4.07Å; V47-Y81 HydrophobicContact CG1-CE1 3.86Å; V47-Y81 HydrophobicContact CG1-CE2 4.33Å; V47-Y81 HydrophobicContact CG1-CG 4.39Å; V47-Y81 HydrophobicContact CG2-CD2 3.6Å; V47-Y81 HydrophobicContact CG2-CE1 4.34Å; V47-Y81 HydrophobicContact CG2-CE2 3.31Å; V47-Y81 HydrophobicContact CG2-CG 4.21Å
48E90.1Very high85.9Confident70 Ų7070.2 Ų70.233%0.32738%0.378SS..EExtended strand (participates in β ladder)trans-104.9149.2171-73-178-154.200111M29 H30 T44 D67M29-E48 HydrophobicContact CE-CB 3.97Å; H30-E48 IonicContact NE2-OE2 3.64Å; T44-E48 HydrophobicContact CG2-CB 4.48Å; T44-E48 HydrophobicContact CG2-CG 3.93Å; E48-D67 HydrophobicContact CB-CB 4.29Å; E48-D67 PolarHBondContact N-O 3.23Å; E48-D67 PolarHBondContact O-N 3.19Å
49F91.5Very high86.3Confident101 Ų10170.2 Ų70.244%0.44338%0.377SS..EExtended strand (participates in β ladder)trans-124.8128.1-177.3177.5-102.3000110.7T51 Q64 I65 W66F49-T51 HydrophobicContact CD1-CG2 4.38Å; F49-T51 HydrophobicContact CE1-CG2 3.43Å; F49-T51 VanDerWaalsContact CE1-CG2 3.43Å; F49-T51 HydrophobicContact CE2-CG2 4.14Å; F49-T51 HydrophobicContact CZ-CG2 3.28Å; F49-Q64 HydrophobicContact CE2-CB 3.87Å; F49-Q64 HydrophobicContact CE2-CG 4.07Å; F49-Q64 HydrophobicContact CZ-CB 4.28Å; F49-Q64 HydrophobicContact CZ-CG 3.98Å; F49-I65 WeakPolarHBondContact CA-O 3.42Å; F49-W66 HydrophobicContact CB-CE3 4.39Å; F49-W66 HydrophobicContact CB-CZ3 4.38Å; F49-W66 AromaticContact CD2-CD2 3.8Å; F49-W66 HydrophobicContact CD2-CD2 3.8Å; F49-W66 AromaticContact CD2-CE2 3.68Å; F49-W66 AromaticContact CD2-CE3 3.92Å; F49-W66 HydrophobicContact CD2-CE3 3.92Å; F49-W66 HydrophobicContact CD2-CG 4.43Å; F49-W66 AromaticContact CD2-CH2 3.98Å; F49-W66 HydrophobicContact CD2-CH2 3.98Å; F49-W66 AromaticContact CD2-CZ2 3.81Å; F49-W66 HydrophobicContact CD2-CZ2 3.81Å; F49-W66 HydrophobicContact CD2-CZ3 4Å; F49-W66 HydrophobicContact CE2-CD2 4.37Å; F49-W66 AromaticContact CE2-CE2 3.8Å; F49-W66 HydrophobicContact CE2-CH2 4.32Å; F49-W66 AromaticContact CE2-CZ2 3.8Å; F49-W66 HydrophobicContact CE2-CZ2 3.8Å; F49-W66 AromaticContact CE2-NE1 3.98Å; F49-W66 HydrophobicContact CG-CZ3 4.48Å
50S94.1Very high87Confident25 Ų2571.3 Ų71.318%0.17537%0.373CS..EExtended strand (participates in β ladder)trans-137.6158.4173.1-1590000111.3M29 T33 I65M29-S50 VanDerWaalsContact SD-CB 3.58Å; T33-S50 WeakPolarHBondContact CG2-OG 3.47Å; S50-I65 PolarHBondContact N-O 3.36Å; S50-I65 PolarHBondContact O-N 2.83Å
51T95.1Very high87.9Confident50 Ų5063.6 Ų63.631%0.30733%0.332SS..EExtended strand (participates in β ladder)trans-138.5143.2177.474.10000111.5F49 K62 I63 Q64F49-T51 HydrophobicContact CD1-CG2 4.38Å; F49-T51 HydrophobicContact CE1-CG2 3.43Å; F49-T51 VanDerWaalsContact CE1-CG2 3.43Å; F49-T51 HydrophobicContact CE2-CG2 4.14Å; F49-T51 HydrophobicContact CZ-CG2 3.28Å; T51-K62 WeakPolarHBondContact OG1-CE 3.29Å; T51-I63 WeakPolarHBondContact CA-O 3.48Å; T51-I63 WeakPolarHBondContact CB-O 3.42Å; T51-Q64 HydrophobicContact CG2-CG 4.03Å
52K95.4Very high88.8Confident41 Ų4164.3 Ų64.318%0.17833%0.331CS..EExtended strand (participates in β ladder)trans-140141171.7178.8168.8164.6-157.60109.6F32 T33 I54 I63 E163F32-K52 HydrophobicContact CD1-CB 4.38Å; F32-K52 HydrophobicContact CD1-CD 4.08Å; F32-K52 HydrophobicContact CD2-CD 4.35Å; F32-K52 HydrophobicContact CE1-CB 3.75Å; F32-K52 HydrophobicContact CE1-CD 3.74Å; F32-K52 HydrophobicContact CE1-CG 4.14Å; F32-K52 HydrophobicContact CE2-CD 4.01Å; F32-K52 VanDerWaalsContact CE2-NZ 3.31Å; F32-K52 HydrophobicContact CG-CD 4.38Å; F32-K52 HydrophobicContact CZ-CB 4.25Å; F32-K52 HydrophobicContact CZ-CD 3.7Å; F32-K52 HydrophobicContact CZ-CG 4.17Å; F32-K52 VanDerWaalsContact O-CD 3.25Å; F32-K52 WeakPolarHBondContact O-CD 3.38Å; F32-K52 PolarHBondContact O-NZ 3.47Å; T33-K52 HydrophobicContact CG2-CB 4.21Å; K52-I54 HydrophobicContact CD-CG2 4.49Å; K52-I54 HydrophobicContact CG-CG2 4.18Å; K52-I63 PolarHBondContact N-O 3.1Å; K52-I63 VanDerWaalsContact N-O 3.11Å; K52-I63 PolarHBondContact O-N 2.85Å; K52-E163 VanDerWaalsContact NZ-CD 3.27Å; K52-E163 IonicContact NZ-OE1 3.5Å; K52-E163 PolarHBondContact NZ-OE1 3.36Å; K52-E163 IonicContact NZ-OE2 2.73Å; K52-E163 PolarHBondContact NZ-OE2 3.23Å
53I95Very high89.6Confident57 Ų5759.6 Ų59.629%0.29230%0.301SS..EExtended strand (participates in β ladder)trans-95.2127.6173.4-61.5173.9000107.3Y7 Y9 K60 V61 K62Y7-I53 HydrophobicContact CD1-CD1 4.27Å; Y7-I53 HydrophobicContact CG-CD1 3.88Å; Y9-I53 HydrophobicContact CD1-CD1 3.89Å; I53-K60 HydrophobicContact CG2-CB 4.18Å; I53-V61 WeakPolarHBondContact CA-O 3.36Å; I53-K62 HydrophobicContact CG1-CB 4.07Å; I53-K62 HydrophobicContact CG1-CG 4.11Å
54I95.3Very high90.3Very high15 Ų1556.7 Ų56.78%0.07729%0.287CS..EExtended strand (participates in β ladder)trans-122.9168.5174.164163000109.6F32 K52 V56 K60 V61 I63 T167 A170F32-I54 HydrophobicContact CE2-CG2 4.27Å; F32-I54 HydrophobicContact CZ-CG2 3.78Å; K52-I54 HydrophobicContact CD-CG2 4.49Å; K52-I54 HydrophobicContact CG-CG2 4.18Å; I54-V56 HydrophobicContact CD1-CG2 3.65Å; I54-V56 HydrophobicContact CG1-CG2 4.07Å; I54-K60 WeakPolarHBondContact O-CA 3.39Å; I54-V61 HydrophobicContact CG1-CB 4.46Å; I54-V61 PolarHBondContact N-O 3.38Å; I54-V61 PolarHBondContact O-N 2.95Å; I54-I63 HydrophobicContact CD1-CD1 3.54Å; I54-I63 HydrophobicContact CD1-CG1 4.37Å; I54-I63 HydrophobicContact CG1-CD1 3.91Å; I54-I63 HydrophobicContact CG1-CG1 4.28Å; I54-T167 HydrophobicContact CD1-CG2 4.46Å; I54-A170 HydrophobicContact CD1-CB 3.7Å
55E93.9Very high91.3Very high119 Ų11956.1 Ų56.156%0.55628%0.284SS*.EExtended strand (participates in β ladder)trans-108.8127.1174.7-173.2162.6-163.700109.5Q59E55-Q59 WeakPolarHBondContact CA-O 3.27Å
56V92.2Very high92.1Very high5 Ų552.2 Ų52.23%0.0326%0.26CS..EExtended strand (participates in β ladder)trans-132.2114.4179.4179.70000107I54 D58 Q59 V61 A170 R171 F174I54-V56 HydrophobicContact CD1-CG2 3.65Å; I54-V56 HydrophobicContact CG1-CG2 4.07Å; V56-D58 PolarHBondContact O-N 3.38Å; V56-Q59 PolarHBondContact N-O 2.87Å; V56-Q59 WeakPolarHBondContact O-CB 3.04Å; V56-Q59 PolarHBondContact O-N 3.3Å; V56-V61 HydrophobicContact CB-CG2 4.23Å; V56-V61 HydrophobicContact CG2-CG2 4.32Å; V56-A170 HydrophobicContact CG2-CB 3.85Å; V56-R171 HydrophobicContact CG1-CB 4.17Å; V56-R171 HydrophobicContact CG1-CG 4.33Å; V56-F174 HydrophobicContact CG1-CB 4.04Å; V56-F174 HydrophobicContact CG1-CG 4.2Å
57N89Confident92.9Very high96 Ų9651.4 Ų51.451%0.51325%0.251SS..THydrogen-bonded Turntrans4953.3-178.2-59.2-9.8000112.4Q59 F174N57-Q59 PolarHBondContact O-N 3.37Å; N57-F174 HydrophobicContact CB-CE1 4.07Å
58D87.7Confident93Very high138 Ų13849.8 Ų49.874%0.73824%0.241SC*.THydrogen-bonded Turntrans60.711.8-178.7-48-47.3000115V56V56-D58 PolarHBondContact O-N 3.38Å
59Q90.6Very high92.6Very high68 Ų6846.5 Ų46.532%0.31823%0.226SC..EExtended strand (participates in β ladder)trans-107.6127.6173.6-63-60.9-46.100110.3S10 Y11 E55 V56 N57 V61 F174S10-Q59 VanDerWaalsContact CB-OE1 3.32Å; S10-Q59 PolarHBondContact OG-OE1 3.45Å; Y11-Q59 HydrophobicContact CD2-CB 4.49Å; Y11-Q59 HydrophobicContact CE2-CB 4.42Å; Y11-Q59 HydrophobicContact CE2-CG 4.36Å; E55-Q59 WeakPolarHBondContact CA-O 3.27Å; V56-Q59 PolarHBondContact N-O 2.87Å; V56-Q59 WeakPolarHBondContact O-CB 3.04Å; V56-Q59 PolarHBondContact O-N 3.3Å; N57-Q59 PolarHBondContact O-N 3.37Å; Q59-V61 PolarHBondContact O-N 2.84Å; Q59-F174 HydrophobicContact CB-CE2 4.02Å; Q59-F174 HydrophobicContact CB-CZ 4.44Å; Q59-F174 HydrophobicContact CG-CE2 3.87Å; Q59-F174 HydrophobicContact CG-CZ 3.92Å
60K93Very high91.7Very high107 Ų10742.1 Ų42.147%0.46521%0.209SC..EExtended strand (participates in β ladder)trans-74.5121.2170.9-74178.9179.8178.70109.6N8 Y9 S10 I53 I54N8-K60 VanDerWaalsContact O-CB 3.31Å; N8-K60 WeakPolarHBondContact O-CB 3.36Å; N8-K60 WeakPolarHBondContact O-CD 3.43Å; Y9-K60 CarbonylContact C-O 3.51Å; Y9-K60 WeakPolarHBondContact CA-O 3.39Å; Y9-K60 WeakPolarHBondContact CB-O 3.14Å; S10-K60 PolarHBondContact N-O 3.33Å; I53-K60 HydrophobicContact CG2-CB 4.18Å; I54-K60 WeakPolarHBondContact O-CA 3.39Å
61V94.1Very high90.5Very high0 Ų042.2 Ų42.20%021%0.207CC..EExtended strand (participates in β ladder)trans-118.1127.1-179.3178.50000108.9Y11 F13 I53 I54 V56 Q59 I63Y11-V61 HydrophobicContact CD2-CG2 4.42Å; F13-V61 HydrophobicContact CB-CG1 4.44Å; F13-V61 HydrophobicContact CD1-CG1 4.24Å; F13-V61 HydrophobicContact CD2-CG1 3.38Å; F13-V61 HydrophobicContact CE1-CG1 4.34Å; F13-V61 HydrophobicContact CE2-CB 4.48Å; F13-V61 HydrophobicContact CE2-CG1 3.51Å; F13-V61 HydrophobicContact CE2-CG2 4.24Å; F13-V61 HydrophobicContact CG-CG1 3.76Å; F13-V61 HydrophobicContact CZ-CG1 4Å; F13-V61 HydrophobicContact CZ-CG2 4.36Å; I53-V61 WeakPolarHBondContact CA-O 3.36Å; I54-V61 HydrophobicContact CG1-CB 4.46Å; I54-V61 PolarHBondContact N-O 3.38Å; I54-V61 PolarHBondContact O-N 2.95Å; V56-V61 HydrophobicContact CB-CG2 4.23Å; V56-V61 HydrophobicContact CG2-CG2 4.32Å; Q59-V61 PolarHBondContact O-N 2.84Å; V61-I63 HydrophobicContact CG1-CG1 4.48Å
62K95.4Very high88.8Confident48 Ų4845.5 Ų45.521%0.20922%0.219CC..EExtended strand (participates in β ladder)trans-89112.4171.1-175.6173.1-178.7174.30109.6Y9 Y11 I12 F13 T51 I53Y9-K62 HydrophobicContact CD1-CB 4.14Å; Y9-K62 HydrophobicContact CD1-CD 4.33Å; Y9-K62 HydrophobicContact CD2-CB 4.01Å; Y9-K62 HydrophobicContact CE1-CB 4.33Å; Y9-K62 HydrophobicContact CE1-CD 3.77Å; Y9-K62 HydrophobicContact CE2-CB 4.22Å; Y9-K62 HydrophobicContact CE2-CD 4.41Å; Y9-K62 HydrophobicContact CG-CB 3.97Å; Y11-K62 PolarHBondContact O-N 3Å; I12-K62 CarbonylContact C-O 3.55Å; I12-K62 VanDerWaalsContact CA-O 3.27Å; I12-K62 WeakPolarHBondContact CA-O 3.46Å; I12-K62 HydrophobicContact CG1-CB 4.38Å; F13-K62 PolarHBondContact N-O 3.18Å; T51-K62 WeakPolarHBondContact OG1-CE 3.29Å; I53-K62 HydrophobicContact CG1-CB 4.07Å; I53-K62 HydrophobicContact CG1-CG 4.11Å
63I96.3Very high87.3Confident0 Ų052.4 Ų52.40%024%0.244CC..EExtended strand (participates in β ladder)trans-85.7128.7171.1-57.1179.3000108.4F13 Y15 F32 T51 K52 I54 V61 I65 A170F13-I63 WeakPolarHBondContact O-CA 3.32Å; Y15-I63 HydrophobicContact CD1-CG2 4.16Å; Y15-I63 HydrophobicContact CD2-CG2 3.67Å; Y15-I63 HydrophobicContact CE1-CG2 4.29Å; Y15-I63 HydrophobicContact CE2-CD1 4.1Å; Y15-I63 HydrophobicContact CE2-CG2 3.85Å; Y15-I63 HydrophobicContact CG-CG2 3.82Å; F32-I63 HydrophobicContact CE1-CD1 4.41Å; F32-I63 HydrophobicContact CZ-CD1 4.11Å; T51-I63 WeakPolarHBondContact CA-O 3.48Å; T51-I63 WeakPolarHBondContact CB-O 3.42Å; K52-I63 PolarHBondContact N-O 3.1Å; K52-I63 VanDerWaalsContact N-O 3.11Å; K52-I63 PolarHBondContact O-N 2.85Å; I54-I63 HydrophobicContact CD1-CD1 3.54Å; I54-I63 HydrophobicContact CD1-CG1 4.37Å; I54-I63 HydrophobicContact CG1-CD1 3.91Å; I54-I63 HydrophobicContact CG1-CG1 4.28Å; V61-I63 HydrophobicContact CG1-CG1 4.48Å; I63-I65 HydrophobicContact CG2-CD1 4.33Å; I63-I65 HydrophobicContact CG2-CG1 3.72Å; I63-A170 HydrophobicContact CD1-CB 4.15Å
64Q96Very high86Confident45 Ų4552.5 Ų52.521%0.2124%0.242CC..EExtended strand (participates in β ladder)trans-105.5117.7170.6-73.9-176.6-17.800108.8I12 F13 Y15 F49 T51I12-Q64 HydrophobicContact CG2-CG 3.79Å; F13-Q64 PolarHBondContact O-N 3.2Å; Y15-Q64 PolarHBondContact N-O 3Å; F49-Q64 HydrophobicContact CE2-CB 3.87Å; F49-Q64 HydrophobicContact CE2-CG 4.07Å; F49-Q64 HydrophobicContact CZ-CB 4.28Å; F49-Q64 HydrophobicContact CZ-CG 3.98Å; T51-Q64 HydrophobicContact CG2-CG 4.03Å
65I95.9Very high84.8Confident0 Ų055.3 Ų55.30%025%0.252CS..EExtended strand (participates in β ladder)trans-109.6124.6-174.1-55.2169.1000108.4I17 M29 F32 T33 F49 S50 I63 F166I17-I65 HydrophobicContact CD1-CG2 3.54Å; I17-I65 HydrophobicContact CG1-CG2 3.77Å; M29-I65 HydrophobicContact CB-CG2 4.44Å; M29-I65 HydrophobicContact CG-CB 4.39Å; M29-I65 HydrophobicContact CG-CD1 4.39Å; M29-I65 HydrophobicContact CG-CG2 3.92Å; M29-I65 HydrophobicContact SD-CB 4.36Å; M29-I65 HydrophobicContact SD-CG2 3.94Å; F32-I65 HydrophobicContact CD1-CD1 3.56Å; F32-I65 HydrophobicContact CE1-CD1 3.84Å; T33-I65 HydrophobicContact CG2-CD1 3.99Å; F49-I65 WeakPolarHBondContact CA-O 3.42Å; S50-I65 PolarHBondContact N-O 3.36Å; S50-I65 PolarHBondContact O-N 2.83Å; I63-I65 HydrophobicContact CG2-CD1 4.33Å; I63-I65 HydrophobicContact CG2-CG1 3.72Å; I65-F166 HydrophobicContact CD1-CD1 4.02Å; I65-F166 HydrophobicContact CD1-CE1 3.52Å; I65-F166 HydrophobicContact CD1-CZ 4.25Å; I65-F166 HydrophobicContact CG1-CE1 4.09Å; I65-F166 HydrophobicContact CG2-CE1 4.5Å
66W93.9Very high83.4Confident60 Ų6053.4 Ų53.423%0.22726%0.257CS..EExtended strand (participates in β ladder)trans-107.899173.6-60.686.3000108.4Y15 I16 I17 V47 F49 Y81Y15-W66 PolarHBondContact O-N 3Å; I16-W66 WeakPolarHBondContact CA-O 3.32Å; I17-W66 PolarHBondContact N-O 2.82Å; V47-W66 HydrophobicContact CG1-CB 4.28Å; V47-W66 HydrophobicContact CG1-CE3 3.8Å; F49-W66 HydrophobicContact CB-CE3 4.39Å; F49-W66 HydrophobicContact CB-CZ3 4.38Å; F49-W66 AromaticContact CD2-CD2 3.8Å; F49-W66 HydrophobicContact CD2-CD2 3.8Å; F49-W66 AromaticContact CD2-CE2 3.68Å; F49-W66 AromaticContact CD2-CE3 3.92Å; F49-W66 HydrophobicContact CD2-CE3 3.92Å; F49-W66 HydrophobicContact CD2-CG 4.43Å; F49-W66 AromaticContact CD2-CH2 3.98Å; F49-W66 HydrophobicContact CD2-CH2 3.98Å; F49-W66 AromaticContact CD2-CZ2 3.81Å; F49-W66 HydrophobicContact CD2-CZ2 3.81Å; F49-W66 HydrophobicContact CD2-CZ3 4Å; F49-W66 HydrophobicContact CE2-CD2 4.37Å; F49-W66 AromaticContact CE2-CE2 3.8Å; F49-W66 HydrophobicContact CE2-CH2 4.32Å; F49-W66 AromaticContact CE2-CZ2 3.8Å; F49-W66 HydrophobicContact CE2-CZ2 3.8Å; F49-W66 AromaticContact CE2-NE1 3.98Å; F49-W66 HydrophobicContact CG-CZ3 4.48Å; W66-Y81 HydrophobicContact CB-CD1 4.42Å; W66-Y81 AromaticContact CD2-CD1 3.77Å; W66-Y81 HydrophobicContact CD2-CD1 3.77Å; W66-Y81 HydrophobicContact CD2-CE1 4.16Å; W66-Y81 AromaticContact CE3-CD1 3.38Å; W66-Y81 HydrophobicContact CE3-CD1 3.38Å; W66-Y81 AromaticContact CE3-CE1 3.32Å; W66-Y81 HydrophobicContact CE3-CE1 3.32Å; W66-Y81 HydrophobicContact CG-CD1 4.25Å; W66-Y81 HydrophobicContact CH2-CE1 4.26Å; W66-Y81 AromaticContact CZ3-CD1 3.87Å; W66-Y81 HydrophobicContact CZ3-CD1 3.87Å; W66-Y81 AromaticContact CZ3-CE1 3.39Å; W66-Y81 HydrophobicContact CZ3-CE1 3.39Å
67D92.1Very high82.3Confident0 Ų056.1 Ų56.10%027%0.273CS..EExtended strand (participates in β ladder)trans-83.4127.7174.9176.340.2000110K25 S26 M29 V47 E48K25-D67 WeakPolarHBondContact CB-OD1 3.41Å; S26-D67 VanDerWaalsContact CA-OD2 3.31Å; S26-D67 WeakPolarHBondContact CA-OD2 3.47Å; S26-D67 WeakPolarHBondContact CB-OD2 3.27Å; S26-D67 PolarHBondContact OG-OD2 3.15Å; M29-D67 HydrophobicContact CE-CB 3.92Å; M29-D67 HydrophobicContact SD-CB 3.73Å; V47-D67 CarbonylContact C-O 3.58Å; V47-D67 WeakPolarHBondContact CA-O 3.38Å; V47-D67 VanDerWaalsContact CG1-O 3.29Å; V47-D67 WeakPolarHBondContact CG1-O 3.19Å; E48-D67 HydrophobicContact CB-CB 4.29Å; E48-D67 PolarHBondContact N-O 3.23Å; E48-D67 PolarHBondContact O-N 3.19Å
68T87.5Confident81.6Confident0 Ų051.7 Ų51.70%025%0.25CC..EExtended strand (participates in β ladder)trans-113.1148.5-170.667.70000112.5I16 I17 K25 V47 G70 T78I16-T68 HydrophobicContact CD1-CG2 4Å; I16-T68 HydrophobicContact CG1-CG2 3.81Å; I17-T68 PolarHBondContact O-N 3.4Å; I17-T68 PolarHBondContact O-OG1 2.72Å; K25-T68 WeakPolarHBondContact CE-O 3.5Å; V47-T68 HydrophobicContact CG2-CG2 4.03Å; T68-G70 PolarHBondContact O-N 3.48Å; T68-T78 HydrophobicContact CG2-CG2 3.99Å
69A81.2Confident81.2Confident1 Ų151.2 Ų51.21%0.00824%0.237CC..  trans-58.9131.1172.200000111T44 G46 Q71 F74T44-A69 VanDerWaalsContact O-CB 3.23Å; T44-A69 WeakPolarHBondContact O-CB 3.3Å; G46-A69 WeakPolarHBondContact O-CB 3.38Å; G46-A69 PolarHBondContact O-N 3.49Å; A69-Q71 VanDerWaalsContact C-N 3.32Å; A69-F74 HydrophobicContact CB-CB 3.83Å; A69-F74 HydrophobicContact CB-CD2 3.71Å; A69-F74 HydrophobicContact CB-CG 4.02Å
70G71.6Confident80.8Confident9 Ų951.8 Ų51.89%0.09325%0.249CC..  trans-87.43.1179.800000114.8G19 M21 T68G19-G70 WeakPolarHBondContact O-CA 3.35Å; M21-G70 PolarHBondContact N-O 3.23Å; M21-G70 VanDerWaalsContact N-O 3.15Å; T68-G70 PolarHBondContact O-N 3.48Å
71Q69.7Low80.5Confident27 Ų2749.6 Ų49.613%0.12624%0.238CC..SBendtrans-81.3136176-65.4177.845.400109.8M21 A69 R73 F74M21-Q71 HydrophobicContact CB-CG 4.34Å; M21-Q71 HydrophobicContact CG-CG 4.3Å; M21-Q71 HydrophobicContact SD-CG 3.43Å; M21-Q71 WeakPolarHBondContact SD-CG 3.13Å; A69-Q71 VanDerWaalsContact C-N 3.32Å; Q71-R73 PolarHBondContact O-N 2.88Å; Q71-F74 HydrophobicContact CB-CD2 3.95Å; Q71-F74 HydrophobicContact CB-CE2 4.48Å; Q71-F74 PolarHBondContact O-N 3.01Å
72E59.9Low80.3Confident120 Ų12049.7 Ų49.756%0.56124%0.238SC*.G310 helixtrans-50-38.4173.466.9-60.8142.600112.9F74 R75E72-F74 PolarHBondContact O-N 3.17Å; E72-F74 VanDerWaalsContact O-N 3.14Å; E72-R75 WeakPolarHBondContact O-CB 3.25Å; E72-R75 PolarHBondContact O-N 3.1Å
73R63.4Low79.9Confident186 Ų18654.6 Ų54.670%0.70226%0.255SS*.G310 helixtrans-59.1-24.4177.5-69.8-174.6-67.1-177.61.5113.7Q71Q71-R73 PolarHBondContact O-N 2.88Å
74F68.1Low79.4Confident58 Ų5855 Ų5525%0.25426%0.259SS..G310 helixtrans-101.53.4178.7-62.1-63.1000113.8I45 A69 Q71 E72 A76 V77 T78I45-F74 HydrophobicContact CG2-CZ 4.4Å; A69-F74 HydrophobicContact CB-CB 3.83Å; A69-F74 HydrophobicContact CB-CD2 3.71Å; A69-F74 HydrophobicContact CB-CG 4.02Å; Q71-F74 HydrophobicContact CB-CD2 3.95Å; Q71-F74 HydrophobicContact CB-CE2 4.48Å; Q71-F74 PolarHBondContact O-N 3.01Å; E72-F74 PolarHBondContact O-N 3.17Å; E72-F74 VanDerWaalsContact O-N 3.14Å; F74-A76 PolarHBondContact O-N 3.17Å; F74-A76 VanDerWaalsContact O-N 3.08Å; F74-V77 WeakPolarHBondContact O-CA 3.22Å; F74-V77 WeakPolarHBondContact O-CB 3.26Å; F74-V77 PolarHBondContact O-N 3.3Å; F74-T78 PolarHBondContact O-N 3.35Å; F74-T78 PolarHBondContact O-OG1 2.99Å
75R68.8Low79.3Confident75 Ų7552.8 Ų52.828%0.28325%0.249SC..Hα-helixtrans-54.3-34-179.2-85-177.7-178.8-173.11.9113.6E72 V77 T78 R79 W106E72-R75 WeakPolarHBondContact O-CB 3.25Å; E72-R75 PolarHBondContact O-N 3.1Å; R75-V77 VanDerWaalsContact C-N 3.31Å; R75-V77 PolarHBondContact O-N 2.98Å; R75-T78 WeakPolarHBondContact O-CB 3.37Å; R75-T78 PolarHBondContact O-N 3.42Å; R75-R79 PolarHBondContact O-N 3.4Å; R75-W106 HydrophobicContact CG-CH2 4.24Å
76A65.2Low79.2Confident79 Ų7953 Ų5365%0.65325%0.251SS*.Hα-helixtrans-63.4-37.8176.300000112.2F74 R79F74-A76 PolarHBondContact O-N 3.17Å; F74-A76 VanDerWaalsContact O-N 3.08Å; A76-R79 PolarHBondContact O-N 2.92Å
77V68.8Low79.4Confident62 Ų6250.1 Ų50.138%0.37624%0.24SC..Hα-helixtrans-67.5-40.2176.3-178.40000110.2V47 F74 R75 R79 S80 Y81V47-V77 HydrophobicContact CG2-CG1 4.42Å; F74-V77 WeakPolarHBondContact O-CA 3.22Å; F74-V77 WeakPolarHBondContact O-CB 3.26Å; F74-V77 PolarHBondContact O-N 3.3Å; R75-V77 VanDerWaalsContact C-N 3.31Å; R75-V77 PolarHBondContact O-N 2.98Å; V77-R79 PolarHBondContact O-N 3.41Å; V77-S80 PolarHBondContact O-OG 3.42Å; V77-S80 VanDerWaalsContact O-OG 3.07Å; V77-Y81 HydrophobicContact CG1-CE2 4.02Å; V77-Y81 VanDerWaalsContact O-CD2 3.23Å; V77-Y81 WeakPolarHBondContact O-CD2 3.48Å
78T74.3Confident79.6Confident3 Ų350.1 Ų50.12%0.01824%0.24CC..Hα-helixtrans-58.2-33.8178.1-450000112.6I16 V18 T68 F74 R75 S80 Y81 Y82 W106I16-T78 HydrophobicContact CD1-CG2 4.31Å; V18-T78 HydrophobicContact CG1-CG2 4.1Å; T68-T78 HydrophobicContact CG2-CG2 3.99Å; F74-T78 PolarHBondContact O-N 3.35Å; F74-T78 PolarHBondContact O-OG1 2.99Å; R75-T78 WeakPolarHBondContact O-CB 3.37Å; R75-T78 PolarHBondContact O-N 3.42Å; T78-S80 VanDerWaalsContact C-N 3.33Å; T78-S80 PolarHBondContact O-N 3.43Å; T78-Y81 PolarHBondContact O-N 2.78Å; T78-Y81 VanDerWaalsContact O-N 3.11Å; T78-Y82 HydrophobicContact CG2-CD2 4.34Å; T78-Y82 HydrophobicContact CG2-CE2 3.68Å; T78-Y82 VanDerWaalsContact O-CD2 3.3Å; T78-Y82 WeakPolarHBondContact O-CD2 3.14Å; T78-W106 HydrophobicContact CG2-CZ3 4.47Å
79R78.7Confident80.1Confident128 Ų12850.2 Ų50.248%0.48324%0.24SC..Hα-helixtrans-58.5-38.7-174.3-71.5-174.2176.6171.60.7114R75 A76 V77 Y81 L113R75-R79 PolarHBondContact O-N 3.4Å; A76-R79 PolarHBondContact O-N 2.92Å; V77-R79 PolarHBondContact O-N 3.41Å; R79-Y81 VanDerWaalsContact C-N 3.26Å; R79-Y81 PolarHBondContact O-N 3.44Å; R79-L113 HydrophobicContact CB-CD1 4.18Å; R79-L113 HydrophobicContact CG-CD1 3.78Å
80S82.6Confident80.8Confident79 Ų7950.1 Ų50.155%0.55224%0.24SC*.Hα-helixtrans-68.8-26.1-179.159.10000112.8V77 T78V77-S80 PolarHBondContact O-OG 3.42Å; V77-S80 VanDerWaalsContact O-OG 3.07Å; T78-S80 VanDerWaalsContact C-N 3.33Å; T78-S80 PolarHBondContact O-N 3.43Å
81Y87.3Confident82.1Confident62 Ų6249.8 Ų49.824%0.24324%0.236CC..Hα-helixtrans-80.4-22-177.3-67.3-82.1000113.5K14 V47 W66 V77 T78 R79 R83K14-Y81 WeakPolarHBondContact CE-O 3.43Å; K14-Y81 PolarHBondContact NZ-O 2.88Å; V47-Y81 HydrophobicContact CB-CE1 4.27Å; V47-Y81 HydrophobicContact CB-CE2 4.01Å; V47-Y81 HydrophobicContact CG1-CD1 4.07Å; V47-Y81 HydrophobicContact CG1-CE1 3.86Å; V47-Y81 HydrophobicContact CG1-CE2 4.33Å; V47-Y81 HydrophobicContact CG1-CG 4.39Å; V47-Y81 HydrophobicContact CG2-CD2 3.6Å; V47-Y81 HydrophobicContact CG2-CE1 4.34Å; V47-Y81 HydrophobicContact CG2-CE2 3.31Å; V47-Y81 HydrophobicContact CG2-CG 4.21Å; W66-Y81 HydrophobicContact CB-CD1 4.42Å; W66-Y81 AromaticContact CD2-CD1 3.77Å; W66-Y81 HydrophobicContact CD2-CD1 3.77Å; W66-Y81 HydrophobicContact CD2-CE1 4.16Å; W66-Y81 AromaticContact CE3-CD1 3.38Å; W66-Y81 HydrophobicContact CE3-CD1 3.38Å; W66-Y81 AromaticContact CE3-CE1 3.32Å; W66-Y81 HydrophobicContact CE3-CE1 3.32Å; W66-Y81 HydrophobicContact CG-CD1 4.25Å; W66-Y81 HydrophobicContact CH2-CE1 4.26Å; W66-Y81 AromaticContact CZ3-CD1 3.87Å; W66-Y81 HydrophobicContact CZ3-CD1 3.87Å; W66-Y81 AromaticContact CZ3-CE1 3.39Å; W66-Y81 HydrophobicContact CZ3-CE1 3.39Å; V77-Y81 HydrophobicContact CG1-CE2 4.02Å; V77-Y81 VanDerWaalsContact O-CD2 3.23Å; V77-Y81 WeakPolarHBondContact O-CD2 3.48Å; T78-Y81 PolarHBondContact O-N 2.78Å; T78-Y81 VanDerWaalsContact O-N 3.11Å; R79-Y81 VanDerWaalsContact C-N 3.26Å; R79-Y81 PolarHBondContact O-N 3.44Å; Y81-R83 VanDerWaalsContact C-N 3.27Å; Y81-R83 PolarHBondContact O-N 2.81Å
82Y89.2Confident83.5Confident1 Ų148.5 Ų48.50%0.00423%0.23CC..Hα-helixtrans-63-34.1173.6-77.4-80.9000112.3I16 V18 T78 G84 A85 A110 L113 T114I16-Y82 HydrophobicContact CD1-CD1 3.95Å; I16-Y82 HydrophobicContact CD1-CD2 3.96Å; I16-Y82 HydrophobicContact CD1-CE1 4.16Å; I16-Y82 HydrophobicContact CD1-CE2 4.21Å; I16-Y82 HydrophobicContact CD1-CG 3.88Å; I16-Y82 HydrophobicContact CG2-CD1 4.1Å; I16-Y82 HydrophobicContact CG2-CE1 4.31Å; V18-Y82 HydrophobicContact CG1-CE1 4.09Å; V18-Y82 HydrophobicContact CG1-CE2 4.47Å; V18-Y82 WeakPolarHBondContact CG1-OH 3.26Å; T78-Y82 HydrophobicContact CG2-CD2 4.34Å; T78-Y82 HydrophobicContact CG2-CE2 3.68Å; T78-Y82 VanDerWaalsContact O-CD2 3.3Å; T78-Y82 WeakPolarHBondContact O-CD2 3.14Å; Y82-G84 PolarHBondContact O-N 2.94Å; Y82-A85 WeakPolarHBondContact O-CB 3.36Å; Y82-A85 PolarHBondContact O-N 3.1Å; Y82-A110 HydrophobicContact CD1-CB 4.42Å; Y82-A110 VanDerWaalsContact CE1-CA 3.47Å; Y82-A110 HydrophobicContact CE1-CB 3.79Å; Y82-L113 HydrophobicContact CD1-CB 4.41Å; Y82-L113 HydrophobicContact CD2-CB 4.18Å; Y82-L113 HydrophobicContact CD2-CD1 3.69Å; Y82-L113 HydrophobicContact CE2-CD1 4.01Å; Y82-L113 HydrophobicContact CG-CB 3.81Å; Y82-L113 HydrophobicContact CG-CD1 4.19Å; Y82-T114 HydrophobicContact CD1-CG2 3.61Å; Y82-T114 HydrophobicContact CG-CG2 4.28Å
83R86.8Confident85.3Confident151 Ų15142.8 Ų42.857%0.5720%0.203SC*.THydrogen-bonded Turntrans-58.4125.3-177.4-174.8178.2-178.4123.410.6110.7K14 Y81 A85 D188K14-R83 PolarHBondContact NZ-O 3.02Å; Y81-R83 VanDerWaalsContact C-N 3.27Å; Y81-R83 PolarHBondContact O-N 2.81Å; R83-A85 PolarHBondContact O-N 2.9Å; R83-D188 IonicContact CZ-OD1 2.81Å; R83-D188 IonicContact NE-OD1 2.58Å; R83-D188 IonicContact NH2-OD1 2.71Å; R83-D188 PolarHBondContact NH2-OD1 3.31Å
84G86.6Confident87Confident8 Ų833.9 Ų33.98%0.08217%0.169CC..THydrogen-bonded Turntrans68.619.5-179.700000113.9K14 Y82 G190K14-G84 WeakPolarHBondContact CB-O 3.33Å; K14-G84 WeakPolarHBondContact CD-O 3.38Å; Y82-G84 PolarHBondContact O-N 2.94Å; G84-G190 WeakPolarHBondContact O-CA 3.43Å
85A93.1Very high88.4Confident0 Ų032.3 Ų32.30%017%0.165CC..  trans-74.2130.5164.300000109.2K14 I16 Y82 R83 T114 T118K14-A85 CarbonylContact O-C 3.58Å; K14-A85 WeakPolarHBondContact O-CA 3.31Å; I16-A85 HydrophobicContact CB-CB 4.46Å; I16-A85 HydrophobicContact CG2-CB 4.07Å; Y82-A85 WeakPolarHBondContact O-CB 3.36Å; Y82-A85 PolarHBondContact O-N 3.1Å; R83-A85 PolarHBondContact O-N 2.9Å; A85-T114 HydrophobicContact CB-CG2 4.22Å; A85-T118 PolarHBondContact O-OG1 2.73Å
86S94.8Very high89.8Confident4 Ų432.6 Ų32.63%0.02817%0.166CC..SBendtrans-93.4-20.6170.341.70000112.2K14 V119 I173 G189 G190K14-S86 PolarHBondContact N-OG 3.04Å; K14-S86 PolarHBondContact O-N 3.15Å; K14-S86 PolarHBondContact O-OG 2.81Å; S86-V119 PolarHBondContact O-N 3.02Å; S86-I173 VanDerWaalsContact O-CD1 3.29Å; S86-I173 WeakPolarHBondContact O-CD1 3.45Å; S86-I173 WeakPolarHBondContact O-CG1 3.27Å; S86-G189 WeakPolarHBondContact CB-O 3.17Å; S86-G190 PolarHBondContact OG-O 2.83Å
87G96.9Very high91.3Very high0 Ų031.4 Ų31.40%015%0.146CC..EExtended strand (participates in β ladder)trans-127.7138.417200000112.2K14 Y15 I16 V119K14-G87 PolarHBondContact O-N 3.19Å; Y15-G87 VanDerWaalsContact CA-O 3.27Å; Y15-G87 WeakPolarHBondContact CA-O 3.1Å; I16-G87 PolarHBondContact N-O 3.38Å; G87-V119 CarbonylContact C-O 3.46Å; G87-V119 VanDerWaalsContact CA-O 3.31Å; G87-V119 WeakPolarHBondContact CA-O 3.39Å
88A96.6Very high92.7Very high0 Ų031.8 Ų31.80%015%0.149CC..EExtended strand (participates in β ladder)trans-124.9121.5172.500000110.1I16 L90 A110 T118 V119 I120 F121I16-A88 HydrophobicContact CG2-CB 3.96Å; A88-L90 HydrophobicContact CB-CD1 4.09Å; A88-A110 HydrophobicContact CB-CB 4.47Å; A88-T118 HydrophobicContact CB-CG2 4.18Å; A88-V119 PolarHBondContact N-O 2.98Å; A88-I120 HydrophobicContact CB-CG1 4.36Å; A88-I120 WeakPolarHBondContact O-CA 3.16Å; A88-F121 PolarHBondContact O-N 3.33Å
89L98Very high93.8Very high1 Ų131.7 Ų31.71%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-103.8111.6179.9-56.3-171000109.1Y15 I16 I17 V18 F121 I123 V165 F166 T169Y15-L89 HydrophobicContact CD2-CD1 4.24Å; Y15-L89 HydrophobicContact CD2-CG 4.47Å; I16-L89 PolarHBondContact O-N 3.27Å; I17-L89 WeakPolarHBondContact CA-O 3.4Å; I17-L89 HydrophobicContact CD1-CD1 4.34Å; I17-L89 HydrophobicContact CG1-CB 4.31Å; I17-L89 HydrophobicContact CG1-CD1 4.16Å; I17-L89 HydrophobicContact CG2-CB 4.2Å; V18-L89 PolarHBondContact N-O 3.43Å; L89-F121 HydrophobicContact CD2-CB 3.67Å; L89-F121 HydrophobicContact CD2-CG 4.47Å; L89-I123 HydrophobicContact CB-CD1 3.79Å; L89-I123 HydrophobicContact CD1-CD1 4.29Å; L89-I123 HydrophobicContact CD2-CD1 4.3Å; L89-I123 HydrophobicContact CG-CD1 4.34Å; L89-V165 HydrophobicContact CD1-CG1 4.46Å; L89-V165 HydrophobicContact CD2-CG1 4.18Å; L89-F166 HydrophobicContact CD1-CD1 3.95Å; L89-F166 HydrophobicContact CD1-CE1 3.42Å; L89-F166 VanDerWaalsContact CD1-CE1 3.42Å; L89-F166 HydrophobicContact CD1-CE2 4.39Å; L89-F166 HydrophobicContact CD1-CZ 3.68Å; L89-T169 HydrophobicContact CD2-CG2 4.33Å
90L97.4Very high94.7Very high0 Ų026.3 Ų26.30%013%0.129CC..EExtended strand (participates in β ladder)trans-99.8112.8-178.9-76.865000108.2V18 A88 I103 L107 I120 F121 L122 I123V18-L90 HydrophobicContact CG2-CD1 4.04Å; V18-L90 HydrophobicContact CG2-CG 3.94Å; A88-L90 HydrophobicContact CB-CD1 4.09Å; L90-I103 HydrophobicContact CB-CD1 4.31Å; L90-I103 HydrophobicContact CD2-CG2 4.25Å; L90-L107 HydrophobicContact CD2-CB 3.76Å; L90-L107 HydrophobicContact CD2-CD1 4.05Å; L90-I120 HydrophobicContact CD1-CG2 3.39Å; L90-I120 HydrophobicContact CD2-CG2 4.11Å; L90-I120 HydrophobicContact CG-CG2 4.36Å; L90-F121 PolarHBondContact N-O 2.79Å; L90-L122 HydrophobicContact CB-CD1 4.23Å; L90-L122 CarbonylContact O-C 3.6Å; L90-I123 PolarHBondContact O-N 3.15Å
91V98.1Very high95.3Very high1 Ų127 Ų271%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-110129.5-172.5-168.90000110.4I17 V18 G19 V23 K25 L28 I123 N125I17-V91 HydrophobicContact CG2-CG2 3.57Å; V18-V91 PolarHBondContact O-N 3.01Å; G19-V91 WeakPolarHBondContact CA-O 3.3Å; V23-V91 HydrophobicContact CB-CG1 4.14Å; V23-V91 HydrophobicContact CG2-CB 3.83Å; V23-V91 HydrophobicContact CG2-CG1 3.71Å; K25-V91 HydrophobicContact CG-CB 4.1Å; K25-V91 HydrophobicContact CG-CG2 4.13Å; L28-V91 HydrophobicContact CD1-CG1 3.76Å; L28-V91 HydrophobicContact CD1-CG2 3.93Å; V91-I123 WeakPolarHBondContact CA-O 3.19Å; V91-I123 HydrophobicContact CG2-CB 4.36Å; V91-I123 HydrophobicContact CG2-CD1 4.04Å; V91-N125 HydrophobicContact CG1-CB 3.83Å
92Y98.3Very high95.7Very high0 Ų029 Ų290%013%0.133CC..EExtended strand (participates in β ladder)trans-121.7169.8164.874.7-83.4000110.7I94 F100 I103 L122 I123 N125 V135 A140 F151Y92-I94 HydrophobicContact CE2-CB 4.41Å; Y92-I94 HydrophobicContact CE2-CG2 3.8Å; Y92-F100 HydrophobicContact CD1-CD2 4.03Å; Y92-F100 HydrophobicContact CD2-CB 3.83Å; Y92-F100 AromaticContact CD2-CD2 3.96Å; Y92-F100 HydrophobicContact CD2-CD2 3.96Å; Y92-F100 HydrophobicContact CD2-CG 4.34Å; Y92-F100 HydrophobicContact CE1-CD2 4.01Å; Y92-F100 HydrophobicContact CE1-CE2 4.41Å; Y92-F100 HydrophobicContact CE2-CB 4.37Å; Y92-F100 AromaticContact CE2-CD2 3.96Å; Y92-F100 HydrophobicContact CE2-CD2 3.96Å; Y92-F100 HydrophobicContact CE2-CG 4.5Å; Y92-F100 HydrophobicContact CG-CB 4.19Å; Y92-F100 HydrophobicContact CG-CD2 4Å; Y92-F100 AromaticContact CZ-CD2 3.99Å; Y92-I103 HydrophobicContact CD1-CG1 4.34Å; Y92-I103 HydrophobicContact CG-CG1 4.43Å; Y92-L122 HydrophobicContact CD1-CD1 3.85Å; Y92-L122 HydrophobicContact CD1-CG 4.38Å; Y92-L122 HydrophobicContact CE1-CD1 4.13Å; Y92-L122 HydrophobicContact CE1-CD2 4.47Å; Y92-L122 HydrophobicContact CE1-CG 4.15Å; Y92-I123 VanDerWaalsContact CD1-O 3.27Å; Y92-I123 WeakPolarHBondContact CD1-O 3.37Å; Y92-I123 PolarHBondContact N-O 2.78Å; Y92-N125 PolarHBondContact O-N 2.81Å; Y92-V135 HydrophobicContact CD2-CG2 4.33Å; Y92-V135 HydrophobicContact CE2-CB 3.9Å; Y92-V135 HydrophobicContact CE2-CG1 3.68Å; Y92-V135 HydrophobicContact CE2-CG2 4.1Å; Y92-A140 HydrophobicContact CE1-CB 4.21Å; Y92-A140 WeakPolarHBondContact OH-CB 3.29Å; Y92-F151 HydrophobicContact CE1-CE2 4.13Å
93D98.1Very high96Very high0 Ų029 Ų290%013%0.133CC..EExtended strand (participates in β ladder)trans-106.2118.7178.4-175-10.9000109.1V23 T95 R96 T99 K126V23-D93 HydrophobicContact CB-CB 4.28Å; V23-D93 HydrophobicContact CG1-CB 4.11Å; D93-T95 PolarHBondContact O-N 2.95Å; D93-T95 VanDerWaalsContact O-N 3.11Å; D93-T95 PolarHBondContact OD1-N 3.03Å; D93-T95 PolarHBondContact OD1-OG1 3.03Å; D93-T95 VanDerWaalsContact OD1-OG1 3.05Å; D93-R96 HydrophobicContact CB-CB 4.26Å; D93-R96 PolarHBondContact O-N 2.69Å; D93-R96 IonicContact OD2-CZ 3.39Å; D93-R96 IonicContact OD2-NE 2.78Å; D93-R96 PolarHBondContact OD2-NE 3.24Å; D93-R96 IonicContact OD2-NH2 3.13Å; D93-R96 PolarHBondContact OD2-NH2 3.09Å; D93-R96 VanDerWaalsContact OD2-NH2 3.13Å; D93-T99 HydrophobicContact CB-CG2 4.42Å; D93-T99 PolarHBondContact N-OG1 3.38Å; D93-T99 PolarHBondContact O-OG1 2.58Å; D93-K126 VanDerWaalsContact OD1-CD 3.32Å; D93-K126 WeakPolarHBondContact OD1-CD 3.46Å; D93-K126 IonicContact OD1-NZ 3.72Å; D93-K126 WeakPolarHBondContact OD2-CE 3.35Å; D93-K126 IonicContact OD2-NZ 3.81Å; D93-K126 PolarHBondContact OD2-NZ 2.84Å
94I98.6Very high96.4Very high0 Ų027.5 Ų27.50%013%0.133CC..THydrogen-bonded Turntrans-63.3-19.6-175.166.6154.9000113Y92 N125 K126 D134 V135Y92-I94 HydrophobicContact CE2-CB 4.41Å; Y92-I94 HydrophobicContact CE2-CG2 3.8Å; I94-N125 PolarHBondContact N-O 3.44Å; I94-N125 VanDerWaalsContact N-O 3.08Å; I94-K126 WeakPolarHBondContact CD1-O 3.12Å; I94-D134 PolarHBondContact O-N 3.03Å; I94-V135 PolarHBondContact O-N 3.39Å
95T98.3Very high96.7Very high25 Ų2529.9 Ų29.915%0.15315%0.146CC..THydrogen-bonded Turntrans-90.8-0.3178.974.40000113.1D93 L129 Q132D93-T95 PolarHBondContact O-N 2.95Å; D93-T95 VanDerWaalsContact O-N 3.11Å; D93-T95 PolarHBondContact OD1-N 3.03Å; D93-T95 PolarHBondContact OD1-OG1 3.03Å; D93-T95 VanDerWaalsContact OD1-OG1 3.05Å; T95-L129 HydrophobicContact CG2-CB 3.63Å; T95-L129 HydrophobicContact CG2-CD1 4.04Å; T95-L129 HydrophobicContact CG2-CG 4.49Å; T95-Q132 VanDerWaalsContact CA-O 3.27Å; T95-Q132 WeakPolarHBondContact CA-O 3.4Å; T95-Q132 VanDerWaalsContact CB-O 3.23Å; T95-Q132 WeakPolarHBondContact CB-O 3.41Å; T95-Q132 HydrophobicContact CG2-CB 3.76Å
96R97.7Very high96.7Very high81 Ų8130 Ų3031%0.30615%0.146SC..  trans-136.492.9-177.3-64.7-171.5-64.8136.82111.7M21 G22 D93 P98 T99M21-R96 PolarHBondContact O-NH2 3.23Å; G22-R96 PolarHBondContact O-NH2 2.89Å; D93-R96 HydrophobicContact CB-CB 4.26Å; D93-R96 PolarHBondContact O-N 2.69Å; D93-R96 IonicContact OD2-CZ 3.39Å; D93-R96 IonicContact OD2-NE 2.78Å; D93-R96 PolarHBondContact OD2-NE 3.24Å; D93-R96 IonicContact OD2-NH2 3.13Å; D93-R96 PolarHBondContact OD2-NH2 3.09Å; D93-R96 VanDerWaalsContact OD2-NH2 3.13Å; R96-P98 VanDerWaalsContact C-N 3.3Å; R96-P98 VanDerWaalsContact O-N 3.15Å; R96-T99 HydrophobicContact CB-CG2 3.96Å; R96-T99 VanDerWaalsContact CZ-CG2 3.44Å; R96-T99 PolarHBondContact O-N 3.12Å; R96-T99 PolarHBondContact O-OG1 3.01Å
97K97.8Very high96.7Very high54 Ų5430.1 Ų30.124%0.23515%0.147CC..Hα-helixtrans-48.4-39.2175.2-171.165.1160.8-131.80115.2T99 F100 N101 D134 V135 E139K97-T99 PolarHBondContact O-N 3.44Å; K97-T99 VanDerWaalsContact O-N 3.13Å; K97-F100 HydrophobicContact CD-CD1 4.15Å; K97-F100 WeakPolarHBondContact O-CB 3.49Å; K97-F100 PolarHBondContact O-N 2.96Å; K97-F100 VanDerWaalsContact O-N 3.08Å; K97-N101 PolarHBondContact O-N 3.18Å; K97-D134 WeakPolarHBondContact CB-OD2 3.2Å; K97-D134 PolarHBondContact N-OD2 2.97Å; K97-V135 HydrophobicContact CB-CG2 4.44Å; K97-V135 HydrophobicContact CD-CG2 3.84Å; K97-E139 WeakPolarHBondContact CE-OE2 3.2Å; K97-E139 IonicContact NZ-OE1 2.67Å; K97-E139 PolarHBondContact NZ-OE1 3.46Å; K97-E139 IonicContact NZ-OE2 2.57Å; K97-E139 PolarHBondContact NZ-OE2 2.81Å
98P97.2Very high96.6Very high69 Ų6934.4 Ų34.445%0.44817%0.173SC..Hα-helixtrans-59.1-28.2178.1-26.736.5000114.2R96 R102R96-P98 VanDerWaalsContact C-N 3.3Å; R96-P98 VanDerWaalsContact O-N 3.15Å; P98-R102 PolarHBondContact O-N 3.11Å
99T96.9Very high96.3Very high1 Ų135.4 Ų35.41%0.00618%0.178CC..Hα-helixtrans-74.5-36.3177.470.10000112.2D20 V23 D93 R96 K97 R102D20-T99 HydrophobicContact CB-CG2 4.15Å; D20-T99 WeakPolarHBondContact OD2-CA 3.45Å; V23-T99 HydrophobicContact CG1-CG2 3.9Å; D93-T99 HydrophobicContact CB-CG2 4.42Å; D93-T99 PolarHBondContact N-OG1 3.38Å; D93-T99 PolarHBondContact O-OG1 2.58Å; R96-T99 HydrophobicContact CB-CG2 3.96Å; R96-T99 VanDerWaalsContact CZ-CG2 3.44Å; R96-T99 PolarHBondContact O-N 3.12Å; R96-T99 PolarHBondContact O-OG1 3.01Å; K97-T99 PolarHBondContact O-N 3.44Å; K97-T99 VanDerWaalsContact O-N 3.13Å; T99-R102 PolarHBondContact O-N 3.5Å
100F98.2Very high96.1Very high16 Ų1635.3 Ų35.37%0.0718%0.178CC..Hα-helixtrans-66.1-45.4173.3177.7-108.6000111.5Y92 K97 R102 I103 V135 E139 A140 L143Y92-F100 HydrophobicContact CD1-CD2 4.03Å; Y92-F100 HydrophobicContact CD2-CB 3.83Å; Y92-F100 AromaticContact CD2-CD2 3.96Å; Y92-F100 HydrophobicContact CD2-CD2 3.96Å; Y92-F100 HydrophobicContact CD2-CG 4.34Å; Y92-F100 HydrophobicContact CE1-CD2 4.01Å; Y92-F100 HydrophobicContact CE1-CE2 4.41Å; Y92-F100 HydrophobicContact CE2-CB 4.37Å; Y92-F100 AromaticContact CE2-CD2 3.96Å; Y92-F100 HydrophobicContact CE2-CD2 3.96Å; Y92-F100 HydrophobicContact CE2-CG 4.5Å; Y92-F100 HydrophobicContact CG-CB 4.19Å; Y92-F100 HydrophobicContact CG-CD2 4Å; Y92-F100 AromaticContact CZ-CD2 3.99Å; K97-F100 HydrophobicContact CD-CD1 4.15Å; K97-F100 WeakPolarHBondContact O-CB 3.49Å; K97-F100 PolarHBondContact O-N 2.96Å; K97-F100 VanDerWaalsContact O-N 3.08Å; F100-R102 PolarHBondContact O-N 2.93Å; F100-R102 VanDerWaalsContact O-N 3.12Å; F100-I103 WeakPolarHBondContact O-CB 3.49Å; F100-I103 WeakPolarHBondContact O-CG1 3.49Å; F100-I103 PolarHBondContact O-N 3.18Å; F100-V135 HydrophobicContact CB-CG1 4.21Å; F100-V135 HydrophobicContact CB-CG2 3.7Å; F100-V135 HydrophobicContact CD1-CG1 3.96Å; F100-V135 HydrophobicContact CD1-CG2 4.49Å; F100-V135 HydrophobicContact CD2-CG1 3.88Å; F100-V135 HydrophobicContact CE1-CG1 4.25Å; F100-V135 HydrophobicContact CE2-CG1 4.2Å; F100-V135 HydrophobicContact CG-CG1 3.74Å; F100-V135 HydrophobicContact CG-CG2 4.13Å; F100-V135 HydrophobicContact CZ-CG1 4.37Å; F100-E139 HydrophobicContact CE1-CG 4.18Å; F100-E139 HydrophobicContact CZ-CG 4.25Å; F100-A140 HydrophobicContact CD2-CB 4.46Å; F100-A140 HydrophobicContact CE2-CB 3.69Å; F100-A140 HydrophobicContact CZ-CB 4.18Å; F100-L143 HydrophobicContact CD2-CD2 4.46Å; F100-L143 HydrophobicContact CE2-CB 4.46Å; F100-L143 HydrophobicContact CE2-CD2 3.59Å; F100-L143 HydrophobicContact CZ-CB 4.05Å; F100-L143 HydrophobicContact CZ-CD2 3.63Å; F100-L143 HydrophobicContact CZ-CG 4.44Å
101N96.7Very high95.9Very high92 Ų9241.4 Ų41.449%0.49220%0.201SC..Hα-helixtrans-58.1-31.6177.6-66.4-11.3000112.5K97 I103K97-N101 PolarHBondContact O-N 3.18Å; N101-I103 VanDerWaalsContact C-N 3.34Å
102R94.8Very high95.7Very high104 Ų10448.1 Ų48.139%0.39223%0.226SC..THydrogen-bonded Turntrans-80.6-9.2178.4-72.9-171-70.5-109.2-2114.2D20 P98 T99 F100 Q104 T105 W106D20-R102 VanDerWaalsContact CG-NE 3.34Å; D20-R102 IonicContact OD1-NE 3.43Å; D20-R102 PolarHBondContact OD1-NE 3.33Å; D20-R102 IonicContact OD2-CZ 3.05Å; D20-R102 IonicContact OD2-NE 2.63Å; D20-R102 PolarHBondContact OD2-NE 3.28Å; D20-R102 IonicContact OD2-NH2 2.66Å; D20-R102 PolarHBondContact OD2-NH2 3.36Å; P98-R102 PolarHBondContact O-N 3.11Å; T99-R102 PolarHBondContact O-N 3.5Å; F100-R102 PolarHBondContact O-N 2.93Å; F100-R102 VanDerWaalsContact O-N 3.12Å; R102-Q104 PolarHBondContact O-N 2.94Å; R102-T105 WeakPolarHBondContact O-CB 3.39Å; R102-T105 PolarHBondContact O-N 2.69Å; R102-W106 PolarHBondContact O-N 3.4Å
103I96Very high95.3Very high1 Ų150.3 Ų50.31%0.00524%0.238CC..Hα-helixtrans-55.9-36.9175.1-70.7-57.7000111.8L90 Y92 F100 N101 T105 W106 L107 L122 L143L90-I103 HydrophobicContact CB-CD1 4.31Å; L90-I103 HydrophobicContact CD2-CG2 4.25Å; Y92-I103 HydrophobicContact CD1-CG1 4.34Å; Y92-I103 HydrophobicContact CG-CG1 4.43Å; F100-I103 WeakPolarHBondContact O-CB 3.49Å; F100-I103 WeakPolarHBondContact O-CG1 3.49Å; F100-I103 PolarHBondContact O-N 3.18Å; N101-I103 VanDerWaalsContact C-N 3.34Å; I103-T105 PolarHBondContact O-N 2.87Å; I103-W106 PolarHBondContact O-N 3.2Å; I103-W106 VanDerWaalsContact O-N 3.1Å; I103-L107 WeakPolarHBondContact O-CB 3.44Å; I103-L107 PolarHBondContact O-N 3.33Å; I103-L122 HydrophobicContact CB-CD1 4.49Å; I103-L122 HydrophobicContact CD1-CD1 4.12Å; I103-L122 HydrophobicContact CG1-CD1 4.04Å; I103-L122 HydrophobicContact CG2-CD1 3.66Å; I103-L143 HydrophobicContact CG2-CD2 4.08Å
104Q93.9Very high95Very high120 Ų12051.1 Ų51.156%0.56124%0.242SC*.Hα-helixtrans-59.9-36.1178-64.6-173.726.700112.7R102 T108 L143R102-Q104 PolarHBondContact O-N 2.94Å; Q104-T108 WeakPolarHBondContact O-CB 3.29Å; Q104-T108 PolarHBondContact O-N 3.37Å; Q104-T108 PolarHBondContact O-OG1 3.17Å; Q104-L143 HydrophobicContact CG-CD1 4.42Å
105T92.9Very high94.6Very high58 Ų5852.4 Ų52.436%0.35625%0.251SS..Hα-helixtrans-67.6-45.7174.8-56.50000110.9R102 I103 L107 T108 D109R102-T105 WeakPolarHBondContact O-CB 3.39Å; R102-T105 PolarHBondContact O-N 2.69Å; I103-T105 PolarHBondContact O-N 2.87Å; T105-L107 VanDerWaalsContact C-N 3.33Å; T105-L107 PolarHBondContact O-N 3.05Å; T105-T108 PolarHBondContact O-N 3.21Å; T105-D109 PolarHBondContact O-N 3.02Å; T105-D109 VanDerWaalsContact O-N 3.08Å
106W93.3Very high94.1Very high3 Ų357.1 Ų57.11%0.01128%0.283CS..Hα-helixtrans-62.4-40.2177.4-66.9113.6000112.2V18 D20 R75 T78 R102 I103 D109 A110V18-W106 HydrophobicContact CB-CD2 4.46Å; V18-W106 HydrophobicContact CB-CE3 3.86Å; V18-W106 HydrophobicContact CB-CZ3 4.25Å; V18-W106 HydrophobicContact CG2-CB 4.39Å; V18-W106 HydrophobicContact CG2-CE3 4.37Å; D20-W106 PolarHBondContact OD1-NE1 3.43Å; R75-W106 HydrophobicContact CG-CH2 4.24Å; T78-W106 HydrophobicContact CG2-CZ3 4.47Å; R102-W106 PolarHBondContact O-N 3.4Å; I103-W106 PolarHBondContact O-N 3.2Å; I103-W106 VanDerWaalsContact O-N 3.1Å; W106-D109 PolarHBondContact O-N 2.93Å; W106-A110 WeakPolarHBondContact O-CB 3.27Å; W106-A110 PolarHBondContact O-N 3.43Å
107L95Very high93.7Very high7 Ų756.7 Ų56.74%0.03729%0.286CS..Hα-helixtrans-64.4-42.9175.9178.661.5000112.2L90 I103 T105 D109 A110 R111 I120 N147 L149L90-L107 HydrophobicContact CD2-CB 3.76Å; L90-L107 HydrophobicContact CD2-CD1 4.05Å; I103-L107 WeakPolarHBondContact O-CB 3.44Å; I103-L107 PolarHBondContact O-N 3.33Å; T105-L107 VanDerWaalsContact C-N 3.33Å; T105-L107 PolarHBondContact O-N 3.05Å; L107-D109 VanDerWaalsContact C-N 3.34Å; L107-D109 PolarHBondContact O-N 2.73Å; L107-A110 PolarHBondContact O-N 2.86Å; L107-R111 HydrophobicContact CD1-CG 4.16Å; L107-R111 WeakPolarHBondContact O-CG 3.48Å; L107-R111 PolarHBondContact O-N 3.04Å; L107-I120 HydrophobicContact CD1-CD1 3.95Å; L107-I120 HydrophobicContact CD1-CG2 4.07Å; L107-N147 HydrophobicContact CD2-CB 3.86Å; L107-N147 WeakPolarHBondContact CD2-OD1 3.31Å; L107-L149 HydrophobicContact CD1-CD1 4.17Å; L107-L149 HydrophobicContact CD1-CD2 3.8Å; L107-L149 HydrophobicContact CD2-CD1 4.18Å
108T94.1Very high93.6Very high90 Ų9054.8 Ų54.855%0.55228%0.279SS*.Hα-helixtrans-60.5-45.7176.7-600000110.9Q104 T105 R112Q104-T108 WeakPolarHBondContact O-CB 3.29Å; Q104-T108 PolarHBondContact O-N 3.37Å; Q104-T108 PolarHBondContact O-OG1 3.17Å; T105-T108 PolarHBondContact O-N 3.21Å; T108-R112 VanDerWaalsContact O-CB 3.26Å; T108-R112 WeakPolarHBondContact O-CB 3.45Å; T108-R112 PolarHBondContact O-N 2.87Å; T108-R112 VanDerWaalsContact O-N 3.11Å
109D92Very high93.6Very high20 Ų2052 Ų5211%0.10726%0.261CS..Hα-helixtrans-66.2-41.6176.4-88.4-27.6000112.1T105 W106 L107 R112 L113T105-D109 PolarHBondContact O-N 3.02Å; T105-D109 VanDerWaalsContact O-N 3.08Å; W106-D109 PolarHBondContact O-N 2.93Å; L107-D109 VanDerWaalsContact C-N 3.34Å; L107-D109 PolarHBondContact O-N 2.73Å; D109-R112 PolarHBondContact O-N 2.84Å; D109-R112 IonicContact OD1-CZ 3.79Å; D109-R112 IonicContact OD1-NE 3.73Å; D109-R112 IonicContact OD1-NH2 2.95Å; D109-R112 PolarHBondContact OD1-NH2 3.18Å; D109-L113 HydrophobicContact CB-CD1 4.23Å; D109-L113 VanDerWaalsContact O-CB 3.24Å; D109-L113 WeakPolarHBondContact O-CB 2.85Å; D109-L113 WeakPolarHBondContact O-CG 3.45Å; D109-L113 PolarHBondContact O-N 3.29Å
110A92.9Very high93.6Very high0 Ų052.9 Ų52.90%027%0.265CS..Hα-helixtrans-57.2-56175.900000111.2Y82 A88 W106 L107 R112 L113 T114 I120Y82-A110 HydrophobicContact CD1-CB 4.42Å; Y82-A110 VanDerWaalsContact CE1-CA 3.47Å; Y82-A110 HydrophobicContact CE1-CB 3.79Å; A88-A110 HydrophobicContact CB-CB 4.47Å; W106-A110 WeakPolarHBondContact O-CB 3.27Å; W106-A110 PolarHBondContact O-N 3.43Å; L107-A110 PolarHBondContact O-N 2.86Å; A110-R112 PolarHBondContact O-N 3.13Å; A110-L113 PolarHBondContact O-N 3.18Å; A110-T114 WeakPolarHBondContact O-CB 3.38Å; A110-T114 WeakPolarHBondContact O-CG2 3.41Å; A110-T114 PolarHBondContact O-N 2.76Å; A110-T114 PolarHBondContact O-OG1 3.34Å; A110-I120 HydrophobicContact CB-CD1 4.35Å
111R94Very high93.6Very high128 Ų12852.3 Ų52.348%0.48326%0.263SS..Hα-helixtrans-59.4-32.4180-73.1-177.9172.21780.4113.5L107 I120 N147L107-R111 HydrophobicContact CD1-CG 4.16Å; L107-R111 WeakPolarHBondContact O-CG 3.48Å; L107-R111 PolarHBondContact O-N 3.04Å; R111-I120 HydrophobicContact CG-CD1 3.86Å; R111-N147 PolarHBondContact NH2-O 2.91Å
112R92.7Very high93.7Very high142 Ų14247.9 Ų47.954%0.53624%0.239SC..Hα-helixtrans-80-30.2-179.2-173.2176.465.3953113.3T108 D109 A110T108-R112 VanDerWaalsContact O-CB 3.26Å; T108-R112 WeakPolarHBondContact O-CB 3.45Å; T108-R112 PolarHBondContact O-N 2.87Å; T108-R112 VanDerWaalsContact O-N 3.11Å; D109-R112 PolarHBondContact O-N 2.84Å; D109-R112 IonicContact OD1-CZ 3.79Å; D109-R112 IonicContact OD1-NE 3.73Å; D109-R112 IonicContact OD1-NH2 2.95Å; D109-R112 PolarHBondContact OD1-NH2 3.18Å; A110-R112 PolarHBondContact O-N 3.13Å
113L91.3Very high93.9Very high46 Ų4643.1 Ų43.124%0.24122%0.221CC..Hα-helixtrans-109.3-11.5-168.7-59.7172.8000113.7R79 Y82 D109 A110R79-L113 HydrophobicContact CB-CD1 4.18Å; R79-L113 HydrophobicContact CG-CD1 3.78Å; Y82-L113 HydrophobicContact CD1-CB 4.41Å; Y82-L113 HydrophobicContact CD2-CB 4.18Å; Y82-L113 HydrophobicContact CD2-CD1 3.69Å; Y82-L113 HydrophobicContact CE2-CD1 4.01Å; Y82-L113 HydrophobicContact CG-CB 3.81Å; Y82-L113 HydrophobicContact CG-CD1 4.19Å; D109-L113 HydrophobicContact CB-CD1 4.23Å; D109-L113 VanDerWaalsContact O-CB 3.24Å; D109-L113 WeakPolarHBondContact O-CB 2.85Å; D109-L113 WeakPolarHBondContact O-CG 3.45Å; D109-L113 PolarHBondContact O-N 3.29Å; A110-L113 PolarHBondContact O-N 3.18Å
114T91.2Very high94Very high16 Ų1643 Ų4310%0.09822%0.221CC..SBendtrans-104.9172.9173.869.70000111.6Y82 A85 A110 T118Y82-T114 HydrophobicContact CD1-CG2 3.61Å; Y82-T114 HydrophobicContact CG-CG2 4.28Å; A85-T114 HydrophobicContact CB-CG2 4.22Å; A110-T114 WeakPolarHBondContact O-CB 3.38Å; A110-T114 WeakPolarHBondContact O-CG2 3.41Å; A110-T114 PolarHBondContact O-N 2.76Å; A110-T114 PolarHBondContact O-OG1 3.34Å; T114-T118 WeakPolarHBondContact CB-OG1 3.39Å; T114-T118 HydrophobicContact CG2-CG2 4.21Å; T114-T118 WeakPolarHBondContact OG1-CB 3.32Å; T114-T118 PolarHBondContact OG1-OG1 3.34Å; T114-T118 VanDerWaalsContact OG1-OG1 3.11Å
115S89.1Confident94.2Very high27 Ų2737.5 Ų37.519%0.18920%0.195CC..  trans-63.6148170.7173.40000110.8N117 T118S115-N117 PolarHBondContact O-N 3.2Å; S115-N117 VanDerWaalsContact O-N 3.1Å; S115-N117 PolarHBondContact OG-N 2.88Å; S115-T118 PolarHBondContact N-OG1 3.13Å; S115-T118 VanDerWaalsContact O-CB 3.22Å; S115-T118 WeakPolarHBondContact O-CB 3.47Å; S115-T118 PolarHBondContact O-N 3.43Å; S115-T118 PolarHBondContact O-OG1 2.9Å
116P88.9Confident94.5Very high125 Ų12537.2 Ų37.281%0.81219%0.189SC*.THydrogen-bonded Turntrans-54.7-26.7173.4-26.935.4000114.2T118P116-T118 VanDerWaalsContact C-N 3.3Å
117N89.7Confident94.7Very high71 Ų7138.5 Ų38.538%0.3820%0.2SC..THydrogen-bonded Turntrans-91.79.7-178.1-59.3-36.5000113.4S115 V119 N176 S181 V182S115-N117 PolarHBondContact O-N 3.2Å; S115-N117 VanDerWaalsContact O-N 3.1Å; S115-N117 PolarHBondContact OG-N 2.88Å; N117-V119 PolarHBondContact O-N 3.01Å; N117-N176 PolarHBondContact O-ND2 3.42Å; N117-S181 PolarHBondContact ND2-O 3.15Å; N117-V182 HydrophobicContact CB-CG2 3.72Å
118T94.1Very high94.8Very high15 Ų1541 Ų419%0.09221%0.214CC..  trans-66129.1176.4-56.50000109.5A85 A88 T114 S115 P116 I120A85-T118 PolarHBondContact O-OG1 2.73Å; A88-T118 HydrophobicContact CB-CG2 4.18Å; T114-T118 WeakPolarHBondContact CB-OG1 3.39Å; T114-T118 HydrophobicContact CG2-CG2 4.21Å; T114-T118 WeakPolarHBondContact OG1-CB 3.32Å; T114-T118 PolarHBondContact OG1-OG1 3.34Å; T114-T118 VanDerWaalsContact OG1-OG1 3.11Å; S115-T118 PolarHBondContact N-OG1 3.13Å; S115-T118 VanDerWaalsContact O-CB 3.22Å; S115-T118 WeakPolarHBondContact O-CB 3.47Å; S115-T118 PolarHBondContact O-N 3.43Å; S115-T118 PolarHBondContact O-OG1 2.9Å; P116-T118 VanDerWaalsContact C-N 3.3Å; T118-I120 PolarHBondContact O-N 2.98Å
119V97Very high94.9Very high11 Ų1139 Ų397%0.06720%0.199CC..EExtended strand (participates in β ladder)trans-77.5122.4174.6176.30000108.7S86 G87 A88 N117 L150 T169 K172 I173S86-V119 PolarHBondContact O-N 3.02Å; G87-V119 CarbonylContact C-O 3.46Å; G87-V119 VanDerWaalsContact CA-O 3.31Å; G87-V119 WeakPolarHBondContact CA-O 3.39Å; A88-V119 PolarHBondContact N-O 2.98Å; N117-V119 PolarHBondContact O-N 3.01Å; V119-L150 HydrophobicContact CG1-CD1 3.74Å; V119-T169 HydrophobicContact CB-CG2 4.31Å; V119-T169 HydrophobicContact CG1-CG2 4Å; V119-K172 HydrophobicContact CB-CG 4.45Å; V119-K172 HydrophobicContact CG1-CB 4Å; V119-K172 HydrophobicContact CG1-CG 3.96Å; V119-K172 HydrophobicContact CG2-CB 3.94Å; V119-K172 HydrophobicContact CG2-CG 3.57Å; V119-I173 HydrophobicContact CB-CD1 4.43Å; V119-I173 HydrophobicContact CB-CG1 3.84Å; V119-I173 HydrophobicContact CG2-CB 4.49Å; V119-I173 HydrophobicContact CG2-CG1 3.52Å
120I97.7Very high95.2Very high18 Ų1843 Ų439%0.09222%0.218CC..EExtended strand (participates in β ladder)trans-109.2127.9-179.2-52.9-175.7000109.2A88 L90 L107 A110 R111 T118 L149 L150A88-I120 HydrophobicContact CB-CG1 4.36Å; A88-I120 WeakPolarHBondContact O-CA 3.16Å; L90-I120 HydrophobicContact CD1-CG2 3.39Å; L90-I120 HydrophobicContact CD2-CG2 4.11Å; L90-I120 HydrophobicContact CG-CG2 4.36Å; L107-I120 HydrophobicContact CD1-CD1 3.95Å; L107-I120 HydrophobicContact CD1-CG2 4.07Å; A110-I120 HydrophobicContact CB-CD1 4.35Å; R111-I120 HydrophobicContact CG-CD1 3.86Å; T118-I120 PolarHBondContact O-N 2.98Å; I120-L149 HydrophobicContact CB-CD2 3.84Å; I120-L149 HydrophobicContact CG2-CD2 3.78Å; I120-L150 PolarHBondContact O-N 3.08Å; I120-L150 VanDerWaalsContact O-N 3.13Å
121F98.5Very high95.4Very high4 Ų452.5 Ų52.52%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-121.8120.7-177.7-149.6-60.9000110.1A88 L89 L90 I123 L150 L152 V165 E168 T169A88-F121 PolarHBondContact O-N 3.33Å; L89-F121 HydrophobicContact CD2-CB 3.67Å; L89-F121 HydrophobicContact CD2-CG 4.47Å; L90-F121 PolarHBondContact N-O 2.79Å; F121-I123 HydrophobicContact CD1-CG1 3.87Å; F121-I123 HydrophobicContact CE1-CG1 4.5Å; F121-L150 CarbonylContact C-O 3.42Å; F121-L150 WeakPolarHBondContact CA-O 3.48Å; F121-L150 HydrophobicContact CB-CB 4.36Å; F121-L150 HydrophobicContact CD1-CB 4.12Å; F121-L150 HydrophobicContact CD2-CB 3.31Å; F121-L150 HydrophobicContact CD2-CD1 3.53Å; F121-L150 HydrophobicContact CD2-CG 4.06Å; F121-L150 HydrophobicContact CE1-CB 4.2Å; F121-L150 HydrophobicContact CE2-CB 3.42Å; F121-L150 VanDerWaalsContact CE2-CB 3.42Å; F121-L150 HydrophobicContact CE2-CD1 3.71Å; F121-L150 HydrophobicContact CE2-CG 4.17Å; F121-L150 HydrophobicContact CG-CB 3.68Å; F121-L150 HydrophobicContact CZ-CB 3.87Å; F121-L152 HydrophobicContact CE1-CB 3.93Å; F121-L152 HydrophobicContact CE1-CD1 4.46Å; F121-L152 HydrophobicContact CE1-CG 4.1Å; F121-L152 HydrophobicContact CZ-CB 4.22Å; F121-L152 HydrophobicContact CZ-CD1 3.93Å; F121-L152 HydrophobicContact CZ-CG 3.88Å; F121-V165 HydrophobicContact CD1-CG1 4.11Å; F121-V165 HydrophobicContact CD1-CG2 4.36Å; F121-V165 HydrophobicContact CD2-CG1 4.47Å; F121-V165 HydrophobicContact CE1-CB 4.45Å; F121-V165 HydrophobicContact CE1-CG1 4.29Å; F121-V165 HydrophobicContact CE1-CG2 3.79Å; F121-V165 HydrophobicContact CG-CG1 4.23Å; F121-V165 HydrophobicContact CZ-CB 4.46Å; F121-V165 HydrophobicContact CZ-CG2 4.02Å; F121-E168 HydrophobicContact CE2-CB 3.88Å; F121-T169 WeakPolarHBondContact CD2-OG1 3.14Å
122L98.7Very high95.6Very high0 Ų052.1 Ų52.10%027%0.265CS..EExtended strand (participates in β ladder)trans-87.1129.5172.1-178.762.6000110.2L90 Y92 I103 L143 A144 L149 L150 F151 L152L90-L122 HydrophobicContact CB-CD1 4.23Å; L90-L122 CarbonylContact O-C 3.6Å; Y92-L122 HydrophobicContact CD1-CD1 3.85Å; Y92-L122 HydrophobicContact CD1-CG 4.38Å; Y92-L122 HydrophobicContact CE1-CD1 4.13Å; Y92-L122 HydrophobicContact CE1-CD2 4.47Å; Y92-L122 HydrophobicContact CE1-CG 4.15Å; I103-L122 HydrophobicContact CB-CD1 4.49Å; I103-L122 HydrophobicContact CD1-CD1 4.12Å; I103-L122 HydrophobicContact CG1-CD1 4.04Å; I103-L122 HydrophobicContact CG2-CD1 3.66Å; L122-L143 HydrophobicContact CD2-CD2 4.36Å; L122-A144 HydrophobicContact CD2-CB 4.08Å; L122-L149 HydrophobicContact CB-CD1 4.24Å; L122-L150 PolarHBondContact N-O 3.46Å; L122-F151 HydrophobicContact CB-CD2 3.95Å; L122-F151 HydrophobicContact CD2-CD2 3.85Å; L122-F151 HydrophobicContact CD2-CE2 4.24Å; L122-F151 HydrophobicContact CG-CD2 3.77Å; L122-F151 HydrophobicContact CG-CE2 4.23Å; L122-F151 WeakPolarHBondContact O-CA 3.19Å; L122-F151 WeakPolarHBondContact O-CD2 3.37Å; L122-L152 PolarHBondContact O-N 2.88Å
123I98.7Very high95.8Very high3 Ų348.1 Ų48.12%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-126.1115.6-174.7-55.7160.8000109.2L28 L89 L90 V91 Y92 F121 N125 L152 C154 V165L28-I123 HydrophobicContact CD1-CG2 4.1Å; L89-I123 HydrophobicContact CB-CD1 3.79Å; L89-I123 HydrophobicContact CD1-CD1 4.29Å; L89-I123 HydrophobicContact CD2-CD1 4.3Å; L89-I123 HydrophobicContact CG-CD1 4.34Å; L90-I123 PolarHBondContact O-N 3.15Å; V91-I123 WeakPolarHBondContact CA-O 3.19Å; V91-I123 HydrophobicContact CG2-CB 4.36Å; V91-I123 HydrophobicContact CG2-CD1 4.04Å; Y92-I123 VanDerWaalsContact CD1-O 3.27Å; Y92-I123 WeakPolarHBondContact CD1-O 3.37Å; Y92-I123 PolarHBondContact N-O 2.78Å; F121-I123 HydrophobicContact CD1-CG1 3.87Å; F121-I123 HydrophobicContact CE1-CG1 4.5Å; I123-N125 PolarHBondContact O-N 2.87Å; I123-L152 WeakPolarHBondContact CA-O 3.32Å; I123-C154 HydrophobicContact CG2-CB 3.96Å; I123-V165 HydrophobicContact CD1-CG1 3.49Å; I123-V165 VanDerWaalsContact CD1-CG1 3.49Å; I123-V165 HydrophobicContact CG1-CG1 3.84Å; I123-V165 HydrophobicContact CG1-CG2 4.28Å
124G98.7Very high96.2Very high0 Ų050 Ų500%026%0.261CS..EExtended strand (participates in β ladder)trans-85.399.8166.500000109.9L152 E153 C154G124-L152 PolarHBondContact N-O 2.98Å; G124-L152 VanDerWaalsContact N-O 3.15Å; G124-E153 CarbonylContact O-C 3.36Å; G124-E153 WeakPolarHBondContact O-CA 3.48Å; G124-C154 PolarHBondContact O-N 2.67Å
125N98.6Very high96.5Very high3 Ų349.3 Ų49.32%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-88.4163.4-178.7-168.633.4000111.9V23 L28 V91 Y92 I94 I123 C154 A156V23-N125 PolarHBondContact O-ND2 2.8Å; L28-N125 HydrophobicContact CD1-CB 4.27Å; V91-N125 HydrophobicContact CG1-CB 3.83Å; Y92-N125 PolarHBondContact O-N 2.81Å; I94-N125 PolarHBondContact N-O 3.44Å; I94-N125 VanDerWaalsContact N-O 3.08Å; I123-N125 PolarHBondContact O-N 2.87Å; N125-C154 CarbonylContact C-O 3.54Å; N125-C154 WeakPolarHBondContact CA-O 3.41Å; N125-C154 PolarHBondContact OD1-O 2.92Å; N125-A156 PolarHBondContact OD1-N 3.25Å
126K97.7Very high96.9Very high53 Ų5351 Ų5123%0.2327%0.266CS..  trans70.934-177.4-44.8-167.3-166.6168.70113.9G22 D93 I94 D128 L129 C154G22-K126 WeakPolarHBondContact O-CE 3.36Å; G22-K126 PolarHBondContact O-NZ 2.87Å; D93-K126 VanDerWaalsContact OD1-CD 3.32Å; D93-K126 WeakPolarHBondContact OD1-CD 3.46Å; D93-K126 IonicContact OD1-NZ 3.72Å; D93-K126 WeakPolarHBondContact OD2-CE 3.35Å; D93-K126 IonicContact OD2-NZ 3.81Å; D93-K126 PolarHBondContact OD2-NZ 2.84Å; I94-K126 WeakPolarHBondContact CD1-O 3.12Å; K126-D128 PolarHBondContact O-N 3.46Å; K126-L129 HydrophobicContact CB-CD1 4.14Å; K126-L129 HydrophobicContact CB-CG 4.39Å; K126-L129 HydrophobicContact CD-CD1 4.12Å; K126-L129 WeakPolarHBondContact O-CB 3.49Å; K126-L129 PolarHBondContact O-N 2.64Å; K126-C154 PolarHBondContact N-O 2.78Å
127A98Very high97.4Very high29 Ų2949.4 Ų49.424%0.2424%0.244CC..THydrogen-bonded Turntrans-57.7-13.9172.800000114.2L129 E153 C154A127-L129 PolarHBondContact O-N 2.85Å; A127-E153 HydrophobicContact CB-CB 4.18Å; A127-C154 WeakPolarHBondContact CB-O 3.24Å; A127-C154 PolarHBondContact N-O 3.13Å
128D97.4Very high97.8Very high61 Ų6152.2 Ų52.233%0.32626%0.255SS..THydrogen-bonded Turntrans-71.8-12170.356.9-76000114.2K126 S155 K157K126-D128 PolarHBondContact O-N 3.46Å; D128-S155 WeakPolarHBondContact CB-OG 3.2Å; D128-S155 VanDerWaalsContact CG-OG 3.26Å; D128-S155 VanDerWaalsContact OD1-CB 3.26Å; D128-S155 WeakPolarHBondContact OD1-CB 2.8Å; D128-S155 PolarHBondContact OD1-OG 2.88Å; D128-K157 WeakPolarHBondContact OD2-CD 3.42Å; D128-K157 IonicContact OD2-NZ 3.68Å
129L96.8Very high97.9Very high47 Ų4753.7 Ų53.725%0.24626%0.261CS..  trans-104.145.6-179.7-57.6-178.9000112T95 K126 A127 E131 Q132T95-L129 HydrophobicContact CG2-CB 3.63Å; T95-L129 HydrophobicContact CG2-CD1 4.04Å; T95-L129 HydrophobicContact CG2-CG 4.49Å; K126-L129 HydrophobicContact CB-CD1 4.14Å; K126-L129 HydrophobicContact CB-CG 4.39Å; K126-L129 HydrophobicContact CD-CD1 4.12Å; K126-L129 WeakPolarHBondContact O-CB 3.49Å; K126-L129 PolarHBondContact O-N 2.64Å; A127-L129 PolarHBondContact O-N 2.85Å; L129-E131 VanDerWaalsContact C-N 3.26Å; L129-E131 PolarHBondContact O-N 3.1Å; L129-Q132 HydrophobicContact CB-CB 4.47Å; L129-Q132 PolarHBondContact O-N 3.42Å
130E96.9Very high98Very high105 Ų10553.2 Ų53.249%0.49126%0.258SS..G310 helixtrans-55.4-38.6-174.8-171.358.9-150.100113.3Q132 R133E130-Q132 PolarHBondContact O-N 2.73Å; E130-Q132 VanDerWaalsContact O-N 3.13Å; E130-R133 VanDerWaalsContact CD-NE 3.29Å; E130-R133 VanDerWaalsContact O-CB 3.22Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.11Å; E130-R133 VanDerWaalsContact O-N 3.11Å; E130-R133 IonicContact OE1-CZ 3.33Å; E130-R133 IonicContact OE1-NE 3.11Å; E130-R133 PolarHBondContact OE1-NE 3.25Å; E130-R133 IonicContact OE1-NH2 2.71Å; E130-R133 IonicContact OE2-CZ 2.71Å; E130-R133 IonicContact OE2-NE 3.94Å; E130-R133 PolarHBondContact OE2-NE 3.16Å; E130-R133 VanDerWaalsContact OE2-NE 3.11Å; E130-R133 IonicContact OE2-NH2 2.67Å; E130-R133 PolarHBondContact OE2-NH2 3.04Å
131E97.5Very high98Very high198 Ų19855.4 Ų55.493%0.92527%0.267SS*.G310 helixtrans-64.4-17.6178.6-61.4-178.7169.500113.7L129L129-E131 VanDerWaalsContact C-N 3.26Å; L129-E131 PolarHBondContact O-N 3.1Å
132Q97.6Very high98Very high120 Ų12060.6 Ų60.656%0.56129%0.291SS*.G310 helixtrans-107.411.9-179.9-59.717525.800112T95 L129 E130 D134T95-Q132 VanDerWaalsContact CA-O 3.27Å; T95-Q132 WeakPolarHBondContact CA-O 3.4Å; T95-Q132 VanDerWaalsContact CB-O 3.23Å; T95-Q132 WeakPolarHBondContact CB-O 3.41Å; T95-Q132 HydrophobicContact CG2-CB 3.76Å; L129-Q132 HydrophobicContact CB-CB 4.47Å; L129-Q132 PolarHBondContact O-N 3.42Å; E130-Q132 PolarHBondContact O-N 2.73Å; E130-Q132 VanDerWaalsContact O-N 3.13Å; Q132-D134 PolarHBondContact O-N 3.18Å
133R98.4Very high98Very high59 Ų5961.5 Ų61.522%0.22330%0.296CS..  trans-60.8128.5-177.2-180-179.5-71.1-84.14.2111.3E130 V135 E153E130-R133 VanDerWaalsContact CD-NE 3.29Å; E130-R133 VanDerWaalsContact O-CB 3.22Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.11Å; E130-R133 VanDerWaalsContact O-N 3.11Å; E130-R133 IonicContact OE1-CZ 3.33Å; E130-R133 IonicContact OE1-NE 3.11Å; E130-R133 PolarHBondContact OE1-NE 3.25Å; E130-R133 IonicContact OE1-NH2 2.71Å; E130-R133 IonicContact OE2-CZ 2.71Å; E130-R133 IonicContact OE2-NE 3.94Å; E130-R133 PolarHBondContact OE2-NE 3.16Å; E130-R133 VanDerWaalsContact OE2-NE 3.11Å; E130-R133 IonicContact OE2-NH2 2.67Å; E130-R133 PolarHBondContact OE2-NH2 3.04Å; R133-V135 VanDerWaalsContact CD-O 3.27Å; R133-V135 WeakPolarHBondContact CD-O 3.48Å; R133-V135 WeakPolarHBondContact CG-O 3.38Å; R133-V135 PolarHBondContact NH1-O 3.4Å; R133-E153 IonicContact CZ-OE1 2.76Å; R133-E153 IonicContact CZ-OE2 2.72Å; R133-E153 IonicContact NH1-OE1 3.02Å; R133-E153 PolarHBondContact NH1-OE1 2.95Å; R133-E153 IonicContact NH1-OE2 3.67Å; R133-E153 IonicContact NH2-OE1 2.63Å; R133-E153 IonicContact NH2-OE2 3.54Å; R133-E153 PolarHBondContact NH2-OE2 2.79Å
134D98.2Very high98Very high86 Ų8661.3 Ų61.346%0.4630%0.295SS..  trans-120.3-10.2177.2-168.226.7000111.3I94 K97 Q132I94-D134 PolarHBondContact O-N 3.03Å; K97-D134 WeakPolarHBondContact CB-OD2 3.2Å; K97-D134 PolarHBondContact N-OD2 2.97Å; Q132-D134 PolarHBondContact O-N 3.18Å
135V98.3Very high97.9Very high0 Ų065.8 Ų65.80%032%0.319CS..SBendtrans-122.1120.6175.2-173.80000109.4Y92 I94 K97 F100 R133 E139 A140Y92-V135 HydrophobicContact CD2-CG2 4.33Å; Y92-V135 HydrophobicContact CE2-CB 3.9Å; Y92-V135 HydrophobicContact CE2-CG1 3.68Å; Y92-V135 HydrophobicContact CE2-CG2 4.1Å; I94-V135 PolarHBondContact O-N 3.39Å; K97-V135 HydrophobicContact CB-CG2 4.44Å; K97-V135 HydrophobicContact CD-CG2 3.84Å; F100-V135 HydrophobicContact CB-CG1 4.21Å; F100-V135 HydrophobicContact CB-CG2 3.7Å; F100-V135 HydrophobicContact CD1-CG1 3.96Å; F100-V135 HydrophobicContact CD1-CG2 4.49Å; F100-V135 HydrophobicContact CD2-CG1 3.88Å; F100-V135 HydrophobicContact CE1-CG1 4.25Å; F100-V135 HydrophobicContact CE2-CG1 4.2Å; F100-V135 HydrophobicContact CG-CG1 3.74Å; F100-V135 HydrophobicContact CG-CG2 4.13Å; F100-V135 HydrophobicContact CZ-CG1 4.37Å; R133-V135 VanDerWaalsContact CD-O 3.27Å; R133-V135 WeakPolarHBondContact CD-O 3.48Å; R133-V135 WeakPolarHBondContact CG-O 3.38Å; R133-V135 PolarHBondContact NH1-O 3.4Å; V135-E139 WeakPolarHBondContact CA-OE1 3.22Å; V135-E139 HydrophobicContact CG1-CG 3.83Å; V135-E139 WeakPolarHBondContact CG1-OE1 3.31Å; V135-A140 HydrophobicContact CG1-CB 4.29Å
136T98.2Very high97.9Very high64 Ų6471.9 Ų71.939%0.39335%0.347SS..  trans-73.6154.5178.775.40000111.3E138 E139 A140T136-E138 WeakPolarHBondContact CB-OE2 3.12Å; T136-E138 PolarHBondContact O-N 2.9Å; T136-E139 PolarHBondContact N-OE1 3.2Å; T136-E139 VanDerWaalsContact O-CG 3.31Å; T136-E139 WeakPolarHBondContact O-CG 3.21Å; T136-E139 WeakPolarHBondContact OG1-CG 3.49Å; T136-E139 PolarHBondContact OG1-N 2.72Å; T136-A140 PolarHBondContact O-N 2.54Å
137Y98.3Very high97.8Very high90 Ų9071.3 Ų71.335%0.35335%0.347SS..Hα-helixtrans-61.7-40.2175.7-179.6-88.4000110.4A140 K141 F151 E153Y137-A140 PolarHBondContact O-N 2.91Å; Y137-K141 HydrophobicContact CD1-CB 4.36Å; Y137-K141 HydrophobicContact CE1-CB 4.12Å; Y137-K141 HydrophobicContact CE1-CD 4.4Å; Y137-K141 HydrophobicContact CE1-CG 4.32Å; Y137-K141 VanDerWaalsContact O-CB 3.27Å; Y137-K141 WeakPolarHBondContact O-CB 3.33Å; Y137-K141 PolarHBondContact O-N 2.86Å; Y137-F151 AromaticContact CD2-CE1 3.82Å; Y137-F151 HydrophobicContact CD2-CE1 3.82Å; Y137-F151 HydrophobicContact CD2-CZ 4.26Å; Y137-F151 HydrophobicContact CE1-CE1 4.27Å; Y137-F151 HydrophobicContact CE2-CD1 4.24Å; Y137-F151 AromaticContact CE2-CE1 3.46Å; Y137-F151 HydrophobicContact CE2-CE1 3.46Å; Y137-F151 VanDerWaalsContact CE2-CE1 3.46Å; Y137-F151 HydrophobicContact CE2-CZ 4.23Å; Y137-F151 HydrophobicContact CG-CE1 4.35Å; Y137-F151 AromaticContact CZ-CE1 3.71Å; Y137-E153 HydrophobicContact CD2-CG 3.87Å; Y137-E153 HydrophobicContact CE2-CG 4.2Å
138E98.1Very high97.7Very high131 Ų13173.4 Ų73.461%0.61237%0.371SS*.Hα-helixtrans-64.3-44.5-175.3-64.568.9-149.700111.9T136 A140 K141 Q142T136-E138 WeakPolarHBondContact CB-OE2 3.12Å; T136-E138 PolarHBondContact O-N 2.9Å; E138-A140 VanDerWaalsContact C-N 3.33Å; E138-A140 PolarHBondContact O-N 3.42Å; E138-K141 PolarHBondContact O-N 2.72Å; E138-Q142 VanDerWaalsContact O-CB 3.27Å; E138-Q142 WeakPolarHBondContact O-CB 3.45Å; E138-Q142 PolarHBondContact O-N 3.22Å
139E97.7Very high97.7Very high46 Ų4671.1 Ų71.122%0.21536%0.359CS..Hα-helixtrans-68.9-35.3-179.669.9176.1145.700112.1K97 F100 V135 T136 L143K97-E139 WeakPolarHBondContact CE-OE2 3.2Å; K97-E139 IonicContact NZ-OE1 2.67Å; K97-E139 PolarHBondContact NZ-OE1 3.46Å; K97-E139 IonicContact NZ-OE2 2.57Å; K97-E139 PolarHBondContact NZ-OE2 2.81Å; F100-E139 HydrophobicContact CE1-CG 4.18Å; F100-E139 HydrophobicContact CZ-CG 4.25Å; V135-E139 WeakPolarHBondContact CA-OE1 3.22Å; V135-E139 HydrophobicContact CG1-CG 3.83Å; V135-E139 WeakPolarHBondContact CG1-OE1 3.31Å; T136-E139 PolarHBondContact N-OE1 3.2Å; T136-E139 VanDerWaalsContact O-CG 3.31Å; T136-E139 WeakPolarHBondContact O-CG 3.21Å; T136-E139 WeakPolarHBondContact OG1-CG 3.49Å; T136-E139 PolarHBondContact OG1-N 2.72Å; E139-L143 WeakPolarHBondContact O-CB 3.35Å; E139-L143 PolarHBondContact O-N 3.13Å
140A98.2Very high97.8Very high0 Ų071.8 Ų71.80%036%0.362CS..Hα-helixtrans-72.9-38.7177.600000111.3Y92 F100 V135 T136 Y137 E138 L143 A144 F151Y92-A140 HydrophobicContact CE1-CB 4.21Å; Y92-A140 WeakPolarHBondContact OH-CB 3.29Å; F100-A140 HydrophobicContact CD2-CB 4.46Å; F100-A140 HydrophobicContact CE2-CB 3.69Å; F100-A140 HydrophobicContact CZ-CB 4.18Å; V135-A140 HydrophobicContact CG1-CB 4.29Å; T136-A140 PolarHBondContact O-N 2.54Å; Y137-A140 PolarHBondContact O-N 2.91Å; E138-A140 VanDerWaalsContact C-N 3.33Å; E138-A140 PolarHBondContact O-N 3.42Å; A140-L143 PolarHBondContact O-N 3.37Å; A140-A144 WeakPolarHBondContact O-CB 3.23Å; A140-A144 PolarHBondContact O-N 2.85Å; A140-F151 HydrophobicContact CB-CE1 4.33Å; A140-F151 HydrophobicContact CB-CE2 3.7Å; A140-F151 HydrophobicContact CB-CZ 3.49Å; A140-F151 VanDerWaalsContact CB-CZ 3.49Å
141K98.4Very high97.9Very high65 Ų6567.6 Ų67.628%0.28334%0.343SS..Hα-helixtrans-62.6-44.5172.3-174.969.217671.70111.2Y137 E138 A144 D145 F151Y137-K141 HydrophobicContact CD1-CB 4.36Å; Y137-K141 HydrophobicContact CE1-CB 4.12Å; Y137-K141 HydrophobicContact CE1-CD 4.4Å; Y137-K141 HydrophobicContact CE1-CG 4.32Å; Y137-K141 VanDerWaalsContact O-CB 3.27Å; Y137-K141 WeakPolarHBondContact O-CB 3.33Å; Y137-K141 PolarHBondContact O-N 2.86Å; E138-K141 PolarHBondContact O-N 2.72Å; K141-A144 WeakPolarHBondContact O-CB 3.27Å; K141-A144 PolarHBondContact O-N 2.71Å; K141-D145 IonicContact NZ-OD1 3.51Å; K141-D145 PolarHBondContact NZ-OD1 3.48Å; K141-D145 IonicContact NZ-OD2 3.54Å; K141-D145 PolarHBondContact NZ-OD2 3.03Å; K141-D145 PolarHBondContact O-N 2.58Å; K141-F151 HydrophobicContact CB-CD1 4.03Å; K141-F151 HydrophobicContact CB-CE1 3.99Å; K141-F151 HydrophobicContact CD-CB 4.43Å; K141-F151 HydrophobicContact CD-CD1 3.54Å; K141-F151 HydrophobicContact CD-CE1 4.25Å; K141-F151 HydrophobicContact CD-CG 4.38Å; K141-F151 HydrophobicContact CG-CD1 4.42Å
142Q98.2Very high97.9Very high113 Ų11360.2 Ų60.253%0.52831%0.309SS..Hα-helixtrans-60-49.1177.1-179.6178.6-5.500111E138 A144 D145 E146E138-Q142 VanDerWaalsContact O-CB 3.27Å; E138-Q142 WeakPolarHBondContact O-CB 3.45Å; E138-Q142 PolarHBondContact O-N 3.22Å; Q142-A144 VanDerWaalsContact C-N 3.26Å; Q142-A144 PolarHBondContact O-N 2.91Å; Q142-D145 PolarHBondContact O-N 3.22Å; Q142-E146 HydrophobicContact CG-CG 4.34Å; Q142-E146 VanDerWaalsContact CG-OE1 3.32Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.27Å; Q142-E146 PolarHBondContact NE2-OE1 2.85Å; Q142-E146 WeakPolarHBondContact O-CB 3.22Å; Q142-E146 WeakPolarHBondContact O-CG 3.31Å; Q142-E146 PolarHBondContact O-N 3.16Å
143L97.9Very high98Very high18 Ų1855.5 Ų55.59%0.09429%0.287CS..Hα-helixtrans-57.1-41.4176.2-178.872.4000111.8F100 I103 Q104 L122 E139 A140 N147F100-L143 HydrophobicContact CD2-CD2 4.46Å; F100-L143 HydrophobicContact CE2-CB 4.46Å; F100-L143 HydrophobicContact CE2-CD2 3.59Å; F100-L143 HydrophobicContact CZ-CB 4.05Å; F100-L143 HydrophobicContact CZ-CD2 3.63Å; F100-L143 HydrophobicContact CZ-CG 4.44Å; I103-L143 HydrophobicContact CG2-CD2 4.08Å; Q104-L143 HydrophobicContact CG-CD1 4.42Å; L122-L143 HydrophobicContact CD2-CD2 4.36Å; E139-L143 WeakPolarHBondContact O-CB 3.35Å; E139-L143 PolarHBondContact O-N 3.13Å; A140-L143 PolarHBondContact O-N 3.37Å; L143-N147 WeakPolarHBondContact O-CB 3.49Å; L143-N147 PolarHBondContact O-N 2.96Å; L143-N147 PolarHBondContact O-ND2 3.37Å
144A98.3Very high97.9Very high0 Ų052.8 Ų52.80%028%0.277CS..Hα-helixtrans-64.3-46.5177.400000112.1L122 A140 K141 Q142 N147 G148 L149 F151L122-A144 HydrophobicContact CD2-CB 4.08Å; A140-A144 WeakPolarHBondContact O-CB 3.23Å; A140-A144 PolarHBondContact O-N 2.85Å; K141-A144 WeakPolarHBondContact O-CB 3.27Å; K141-A144 PolarHBondContact O-N 2.71Å; Q142-A144 VanDerWaalsContact C-N 3.26Å; Q142-A144 PolarHBondContact O-N 2.91Å; A144-N147 CarbonylContact O-C 3.53Å; A144-N147 PolarHBondContact O-N 2.71Å; A144-N147 VanDerWaalsContact O-N 3.16Å; A144-G148 PolarHBondContact O-N 3.11Å; A144-L149 HydrophobicContact CB-CB 4.12Å; A144-L149 PolarHBondContact O-N 3.11Å; A144-F151 HydrophobicContact CB-CB 3.58Å; A144-F151 HydrophobicContact CB-CG 4.15Å
145D97.8Very high97.9Very high93 Ų9348.7 Ų48.750%0.49726%0.255SS..Hα-helixtrans-65.2-45.3-178.6-71.3-20.4000112.1K141 Q142 N147 G148K141-D145 IonicContact NZ-OD1 3.51Å; K141-D145 PolarHBondContact NZ-OD1 3.48Å; K141-D145 IonicContact NZ-OD2 3.54Å; K141-D145 PolarHBondContact NZ-OD2 3.03Å; K141-D145 PolarHBondContact O-N 2.58Å; Q142-D145 PolarHBondContact O-N 3.22Å; D145-N147 PolarHBondContact O-N 2.89Å; D145-N147 VanDerWaalsContact O-N 3.14Å; D145-G148 PolarHBondContact O-N 2.71Å; D145-G148 VanDerWaalsContact O-N 3.08Å
146E97.5Very high97.8Very high131 Ų13148.9 Ų48.961%0.61226%0.257SS*.Hα-helixtrans-58.5-27175-72.6174.3-179.200112.4Q142Q142-E146 HydrophobicContact CG-CG 4.34Å; Q142-E146 VanDerWaalsContact CG-OE1 3.32Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.27Å; Q142-E146 PolarHBondContact NE2-OE1 2.85Å; Q142-E146 WeakPolarHBondContact O-CB 3.22Å; Q142-E146 WeakPolarHBondContact O-CG 3.31Å; Q142-E146 PolarHBondContact O-N 3.16Å
147N96.6Very high97.7Very high41 Ų4151.6 Ų51.622%0.21926%0.263CS..THydrogen-bonded Turntrans-105.55.5-180-73-81.3000113.9L107 R111 L143 A144 D145 L149L107-N147 HydrophobicContact CD2-CB 3.86Å; L107-N147 WeakPolarHBondContact CD2-OD1 3.31Å; R111-N147 PolarHBondContact NH2-O 2.91Å; L143-N147 WeakPolarHBondContact O-CB 3.49Å; L143-N147 PolarHBondContact O-N 2.96Å; L143-N147 PolarHBondContact O-ND2 3.37Å; A144-N147 CarbonylContact O-C 3.53Å; A144-N147 PolarHBondContact O-N 2.71Å; A144-N147 VanDerWaalsContact O-N 3.16Å; D145-N147 PolarHBondContact O-N 2.89Å; D145-N147 VanDerWaalsContact O-N 3.14Å; N147-L149 VanDerWaalsContact C-N 3.29Å; N147-L149 HydrophobicContact CB-CD1 4Å; N147-L149 HydrophobicContact CB-CD2 4.07Å; N147-L149 HydrophobicContact CB-CG 3.71Å; N147-L149 VanDerWaalsContact O-CD2 3.31Å; N147-L149 WeakPolarHBondContact O-CD2 3.27Å; N147-L149 PolarHBondContact O-N 2.7Å
148G96Very high97.5Very high73 Ų7351.2 Ų51.275%0.75327%0.273SS*.THydrogen-bonded Turntrans59.635.8-179.400000113.9A144 D145A144-G148 PolarHBondContact O-N 3.11Å; D145-G148 PolarHBondContact O-N 2.71Å; D145-G148 VanDerWaalsContact O-N 3.08Å
149L97.8Very high97.5Very high14 Ų1446.2 Ų46.27%0.07326%0.257CS..  trans-96.3150.2-179.6-43.4-178.9000110.5L107 I120 L122 A144 N147L107-L149 HydrophobicContact CD1-CD1 4.17Å; L107-L149 HydrophobicContact CD1-CD2 3.8Å; L107-L149 HydrophobicContact CD2-CD1 4.18Å; I120-L149 HydrophobicContact CB-CD2 3.84Å; I120-L149 HydrophobicContact CG2-CD2 3.78Å; L122-L149 HydrophobicContact CB-CD1 4.24Å; A144-L149 HydrophobicContact CB-CB 4.12Å; A144-L149 PolarHBondContact O-N 3.11Å; N147-L149 VanDerWaalsContact C-N 3.29Å; N147-L149 HydrophobicContact CB-CD1 4Å; N147-L149 HydrophobicContact CB-CD2 4.07Å; N147-L149 HydrophobicContact CB-CG 3.71Å; N147-L149 VanDerWaalsContact O-CD2 3.31Å; N147-L149 WeakPolarHBondContact O-CD2 3.27Å; N147-L149 PolarHBondContact O-N 2.7Å
150L98Very high97.5Very high61 Ų6146.2 Ų46.232%0.31927%0.265SS..EExtended strand (participates in β ladder)trans-71.1148.4161.8-62.2174000109.1V119 I120 F121 L122 K172V119-L150 HydrophobicContact CG1-CD1 3.74Å; I120-L150 PolarHBondContact O-N 3.08Å; I120-L150 VanDerWaalsContact O-N 3.13Å; F121-L150 CarbonylContact C-O 3.42Å; F121-L150 WeakPolarHBondContact CA-O 3.48Å; F121-L150 HydrophobicContact CB-CB 4.36Å; F121-L150 HydrophobicContact CD1-CB 4.12Å; F121-L150 HydrophobicContact CD2-CB 3.31Å; F121-L150 HydrophobicContact CD2-CD1 3.53Å; F121-L150 HydrophobicContact CD2-CG 4.06Å; F121-L150 HydrophobicContact CE1-CB 4.2Å; F121-L150 HydrophobicContact CE2-CB 3.42Å; F121-L150 VanDerWaalsContact CE2-CB 3.42Å; F121-L150 HydrophobicContact CE2-CD1 3.71Å; F121-L150 HydrophobicContact CE2-CG 4.17Å; F121-L150 HydrophobicContact CG-CB 3.68Å; F121-L150 HydrophobicContact CZ-CB 3.87Å; L122-L150 PolarHBondContact N-O 3.46Å; L150-K172 HydrophobicContact CD1-CB 4.3Å
151F98.5Very high97.4Very high17 Ų1749.3 Ų49.38%0.07528%0.282CS..EExtended strand (participates in β ladder)trans-145.5135.7-178.6174.9-108.3000113Y92 L122 Y137 A140 K141 A144 E153Y92-F151 HydrophobicContact CE1-CE2 4.13Å; L122-F151 HydrophobicContact CB-CD2 3.95Å; L122-F151 HydrophobicContact CD2-CD2 3.85Å; L122-F151 HydrophobicContact CD2-CE2 4.24Å; L122-F151 HydrophobicContact CG-CD2 3.77Å; L122-F151 HydrophobicContact CG-CE2 4.23Å; L122-F151 WeakPolarHBondContact O-CA 3.19Å; L122-F151 WeakPolarHBondContact O-CD2 3.37Å; Y137-F151 AromaticContact CD2-CE1 3.82Å; Y137-F151 HydrophobicContact CD2-CE1 3.82Å; Y137-F151 HydrophobicContact CD2-CZ 4.26Å; Y137-F151 HydrophobicContact CE1-CE1 4.27Å; Y137-F151 HydrophobicContact CE2-CD1 4.24Å; Y137-F151 AromaticContact CE2-CE1 3.46Å; Y137-F151 HydrophobicContact CE2-CE1 3.46Å; Y137-F151 VanDerWaalsContact CE2-CE1 3.46Å; Y137-F151 HydrophobicContact CE2-CZ 4.23Å; Y137-F151 HydrophobicContact CG-CE1 4.35Å; Y137-F151 AromaticContact CZ-CE1 3.71Å; A140-F151 HydrophobicContact CB-CE1 4.33Å; A140-F151 HydrophobicContact CB-CE2 3.7Å; A140-F151 HydrophobicContact CB-CZ 3.49Å; A140-F151 VanDerWaalsContact CB-CZ 3.49Å; K141-F151 HydrophobicContact CB-CD1 4.03Å; K141-F151 HydrophobicContact CB-CE1 3.99Å; K141-F151 HydrophobicContact CD-CB 4.43Å; K141-F151 HydrophobicContact CD-CD1 3.54Å; K141-F151 HydrophobicContact CD-CE1 4.25Å; K141-F151 HydrophobicContact CD-CG 4.38Å; K141-F151 HydrophobicContact CG-CD1 4.42Å; A144-F151 HydrophobicContact CB-CB 3.58Å; A144-F151 HydrophobicContact CB-CG 4.15Å; F151-E153 HydrophobicContact CZ-CG 3.91Å
152L98.3Very high97.4Very high43 Ų4346.3 Ų46.323%0.22527%0.269CS..EExtended strand (participates in β ladder)trans-151.9151.9169.6-73.2178.4000109.5F121 L122 I123 G124 N161 N164 V165F121-L152 HydrophobicContact CE1-CB 3.93Å; F121-L152 HydrophobicContact CE1-CD1 4.46Å; F121-L152 HydrophobicContact CE1-CG 4.1Å; F121-L152 HydrophobicContact CZ-CB 4.22Å; F121-L152 HydrophobicContact CZ-CD1 3.93Å; F121-L152 HydrophobicContact CZ-CG 3.88Å; L122-L152 PolarHBondContact O-N 2.88Å; I123-L152 WeakPolarHBondContact CA-O 3.32Å; G124-L152 PolarHBondContact N-O 2.98Å; G124-L152 VanDerWaalsContact N-O 3.15Å; L152-N161 HydrophobicContact CD1-CB 4.49Å; L152-N164 HydrophobicContact CD1-CB 4.05Å; L152-V165 HydrophobicContact CB-CG2 4.06Å; L152-V165 HydrophobicContact CD1-CG2 4.07Å
153E98.6Very high97.3Very high21 Ų2143.6 Ų43.610%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-91.2143.7163.3-66.4-170.3166.500110.9G124 A127 R133 Y137 F151 N161G124-E153 CarbonylContact O-C 3.36Å; G124-E153 WeakPolarHBondContact O-CA 3.48Å; A127-E153 HydrophobicContact CB-CB 4.18Å; R133-E153 IonicContact CZ-OE1 2.76Å; R133-E153 IonicContact CZ-OE2 2.72Å; R133-E153 IonicContact NH1-OE1 3.02Å; R133-E153 PolarHBondContact NH1-OE1 2.95Å; R133-E153 IonicContact NH1-OE2 3.67Å; R133-E153 IonicContact NH2-OE1 2.63Å; R133-E153 IonicContact NH2-OE2 3.54Å; R133-E153 PolarHBondContact NH2-OE2 2.79Å; Y137-E153 HydrophobicContact CD2-CG 3.87Å; Y137-E153 HydrophobicContact CE2-CG 4.2Å; F151-E153 HydrophobicContact CZ-CG 3.91Å; E153-N161 VanDerWaalsContact O-CB 3.25Å; E153-N161 WeakPolarHBondContact O-CB 3.44Å; E153-N161 PolarHBondContact O-ND2 2.95Å
154C97.9Very high97.3Very high1 Ų146.4 Ų46.41%0.00727%0.271CS..EExtended strand (participates in β ladder)trans-134.6160-174.5-69.10000111.2L28 I123 G124 N125 K126 A127 A160 V165L28-C154 HydrophobicContact CD2-CB 4.07Å; I123-C154 HydrophobicContact CG2-CB 3.96Å; G124-C154 PolarHBondContact O-N 2.67Å; N125-C154 CarbonylContact C-O 3.54Å; N125-C154 WeakPolarHBondContact CA-O 3.41Å; N125-C154 PolarHBondContact OD1-O 2.92Å; K126-C154 PolarHBondContact N-O 2.78Å; A127-C154 WeakPolarHBondContact CB-O 3.24Å; A127-C154 PolarHBondContact N-O 3.13Å; C154-A160 WeakPolarHBondContact CA-O 3.3Å; C154-V165 WeakPolarHBondContact SG-CG2 3.45Å
155S97.8Very high97.3Very high1 Ų146.5 Ų46.51%0.00727%0.272CS..  trans-130109.7165.3167.20000108.8D128 K157 S158 G159 A160D128-S155 WeakPolarHBondContact CB-OG 3.2Å; D128-S155 VanDerWaalsContact CG-OG 3.26Å; D128-S155 VanDerWaalsContact OD1-CB 3.26Å; D128-S155 WeakPolarHBondContact OD1-CB 2.8Å; D128-S155 PolarHBondContact OD1-OG 2.88Å; S155-K157 PolarHBondContact O-N 3.02Å; S155-K157 PolarHBondContact OG-N 2.87Å; S155-S158 WeakPolarHBondContact CB-OG 3.38Å; S155-S158 PolarHBondContact OG-N 3.44Å; S155-S158 PolarHBondContact OG-OG 3.26Å; S155-G159 CarbonylContact O-C 3.51Å; S155-G159 VanDerWaalsContact O-CA 3.27Å; S155-G159 WeakPolarHBondContact O-CA 3.24Å; S155-G159 PolarHBondContact O-N 2.93Å; S155-A160 PolarHBondContact N-O 3.05Å; S155-A160 VanDerWaalsContact N-O 3.09Å; S155-A160 PolarHBondContact O-N 3.18Å
156A96Very high97.3Very high3 Ų342.2 Ų42.23%0.02525%0.249CC..THydrogen-bonded Turntrans-58.9-28.5170.900000112.1C27 L28 Q31 F37 N125C27-A156 HydrophobicContact CB-CB 3.61Å; L28-A156 HydrophobicContact CD2-CB 3.98Å; L28-A156 HydrophobicContact CG-CB 4.19Å; Q31-A156 WeakPolarHBondContact CG-O 3.23Å; Q31-A156 PolarHBondContact NE2-O 3.12Å; Q31-A156 VanDerWaalsContact NE2-O 3.1Å; F37-A156 HydrophobicContact CD2-CB 4.4Å; F37-A156 WeakPolarHBondContact CD2-O 3.49Å; F37-A156 HydrophobicContact CE2-CB 4.5Å; N125-A156 PolarHBondContact OD1-N 3.25Å
157K95.6Very high97.2Very high122 Ų12237.2 Ų37.253%0.5323%0.227SC..THydrogen-bonded Turntrans-69.9-52.4179.8-173.1-173.4-177.1-178.40112.5F37 D128 S155F37-K157 HydrophobicContact CD1-CG 4.17Å; F37-K157 VanDerWaalsContact CD2-CA 3.49Å; F37-K157 HydrophobicContact CD2-CB 4.15Å; F37-K157 HydrophobicContact CE1-CB 4.43Å; F37-K157 HydrophobicContact CE1-CG 4.07Å; F37-K157 HydrophobicContact CE2-CB 4.02Å; F37-K157 HydrophobicContact CG-CB 4.39Å; F37-K157 HydrophobicContact CG-CG 4.43Å; F37-K157 HydrophobicContact CZ-CB 4.17Å; F37-K157 HydrophobicContact CZ-CG 4.26Å; D128-K157 WeakPolarHBondContact OD2-CD 3.42Å; D128-K157 IonicContact OD2-NZ 3.68Å; S155-K157 PolarHBondContact O-N 3.02Å; S155-K157 PolarHBondContact OG-N 2.87Å
158S95.4Very high97.3Very high81 Ų8138.8 Ų38.857%0.56623%0.233SC*.THydrogen-bonded Turntrans-85.8-19.4-179.763.80000113.4S155 A160S155-S158 WeakPolarHBondContact CB-OG 3.38Å; S155-S158 PolarHBondContact OG-N 3.44Å; S155-S158 PolarHBondContact OG-OG 3.26Å; S158-A160 VanDerWaalsContact C-N 3.28Å; S158-A160 WeakPolarHBondContact OG-CB 3.46Å; S158-A160 PolarHBondContact OG-N 2.96Å
159G96.3Very high97.3Very high26 Ų2635.3 Ų35.327%0.26820%0.197SC..  trans84.1-1.3-171.200000114Q31 S155 N161 V162Q31-G159 VanDerWaalsContact NE2-CA 3.26Å; S155-G159 CarbonylContact O-C 3.51Å; S155-G159 VanDerWaalsContact O-CA 3.27Å; S155-G159 WeakPolarHBondContact O-CA 3.24Å; S155-G159 PolarHBondContact O-N 2.93Å; G159-N161 PolarHBondContact O-N 2.84Å; G159-V162 PolarHBondContact O-N 3.19Å
160A97.7Very high97.3Very high47 Ų4734.6 Ų34.639%0.38819%0.194SC..THydrogen-bonded Turntrans-54.5127.8178.800000111.2C154 S155 S158 V162C154-A160 WeakPolarHBondContact CA-O 3.3Å; S155-A160 PolarHBondContact N-O 3.05Å; S155-A160 VanDerWaalsContact N-O 3.09Å; S155-A160 PolarHBondContact O-N 3.18Å; S158-A160 VanDerWaalsContact C-N 3.28Å; S158-A160 WeakPolarHBondContact OG-CB 3.46Å; S158-A160 PolarHBondContact OG-N 2.96Å; A160-V162 PolarHBondContact O-N 3.28Å
161N97.7Very high97.2Very high65 Ų6536.3 Ų36.335%0.34820%0.196SC..THydrogen-bonded Turntrans57.80.4-178.9-65.8-32.4000117.1L152 E153 G159 E163 N164 V165L152-N161 HydrophobicContact CD1-CB 4.49Å; E153-N161 VanDerWaalsContact O-CB 3.25Å; E153-N161 WeakPolarHBondContact O-CB 3.44Å; E153-N161 PolarHBondContact O-ND2 2.95Å; G159-N161 PolarHBondContact O-N 2.84Å; N161-E163 PolarHBondContact O-N 3.11Å; N161-N164 WeakPolarHBondContact O-CB 3.45Å; N161-N164 PolarHBondContact O-N 3.18Å; N161-N164 VanDerWaalsContact O-N 3.17Å; N161-N164 PolarHBondContact OD1-ND2 3.47Å; N161-V165 PolarHBondContact O-N 3.33Å
162V97.8Very high97Very high2 Ų239.2 Ų39.21%0.01221%0.208CC..Hα-helixtrans-60.9-50.3-178.5178.40000110.8L28 Q31 F32 G159 A160 N164 V165 F166L28-V162 HydrophobicContact CD2-CG1 4.47Å; L28-V162 HydrophobicContact CD2-CG2 3.77Å; Q31-V162 HydrophobicContact CB-CG1 4.19Å; Q31-V162 HydrophobicContact CG-CB 4.25Å; Q31-V162 HydrophobicContact CG-CG1 4.08Å; Q31-V162 HydrophobicContact CG-CG2 3.99Å; F32-V162 HydrophobicContact CB-CG1 3.93Å; G159-V162 PolarHBondContact O-N 3.19Å; A160-V162 PolarHBondContact O-N 3.28Å; V162-N164 VanDerWaalsContact C-N 3.25Å; V162-N164 PolarHBondContact O-N 3.07Å; V162-V165 PolarHBondContact O-N 3.28Å; V162-F166 HydrophobicContact CG1-CD2 4.39Å; V162-F166 HydrophobicContact CG1-CE2 4.2Å; V162-F166 VanDerWaalsContact O-CD2 3.3Å; V162-F166 WeakPolarHBondContact O-CD2 3.23Å
163E96.7Very high96.9Very high55 Ų5537.2 Ų37.226%0.25720%0.198SC..Hα-helixtrans-61.8-36.3178-163.373.7-167.300112.1F32 K35 K52 N161 F166 T167F32-E163 WeakPolarHBondContact CD2-OE2 3.45Å; F32-E163 WeakPolarHBondContact CE2-OE1 3.33Å; K35-E163 IonicContact NZ-OE2 3.55Å; K35-E163 PolarHBondContact NZ-OE2 3.23Å; K52-E163 VanDerWaalsContact NZ-CD 3.27Å; K52-E163 IonicContact NZ-OE1 3.5Å; K52-E163 PolarHBondContact NZ-OE1 3.36Å; K52-E163 IonicContact NZ-OE2 2.73Å; K52-E163 PolarHBondContact NZ-OE2 3.23Å; N161-E163 PolarHBondContact O-N 3.11Å; E163-F166 PolarHBondContact O-N 3.39Å; E163-T167 VanDerWaalsContact O-CB 3.31Å; E163-T167 WeakPolarHBondContact O-CB 3.39Å; E163-T167 PolarHBondContact O-N 3.42Å; E163-T167 PolarHBondContact O-OG1 3.31Å
164N97.4Very high96.6Very high78 Ų7836.9 Ų36.942%0.41720%0.196SC..Hα-helixtrans-64.3-48-177.5-63.9-1.3000110.4L152 N161 V162 F166 T167 E168L152-N164 HydrophobicContact CD1-CB 4.05Å; N161-N164 WeakPolarHBondContact O-CB 3.45Å; N161-N164 PolarHBondContact O-N 3.18Å; N161-N164 VanDerWaalsContact O-N 3.17Å; N161-N164 PolarHBondContact OD1-ND2 3.47Å; V162-N164 VanDerWaalsContact C-N 3.25Å; V162-N164 PolarHBondContact O-N 3.07Å; N164-F166 PolarHBondContact O-N 3.24Å; N164-T167 PolarHBondContact O-N 3.41Å; N164-E168 VanDerWaalsContact O-CB 3.26Å; N164-E168 WeakPolarHBondContact O-CB 3.43Å; N164-E168 WeakPolarHBondContact O-CG 3.32Å; N164-E168 PolarHBondContact O-N 2.82Å
165V98Very high96.3Very high2 Ų241 Ų411%0.01222%0.216CC..Hα-helixtrans-54.5-49.8178.6166.20000112.1L89 F121 I123 L152 C154 N161 V162 T169L89-V165 HydrophobicContact CD1-CG1 4.46Å; L89-V165 HydrophobicContact CD2-CG1 4.18Å; F121-V165 HydrophobicContact CD1-CG1 4.11Å; F121-V165 HydrophobicContact CD1-CG2 4.36Å; F121-V165 HydrophobicContact CD2-CG1 4.47Å; F121-V165 HydrophobicContact CE1-CB 4.45Å; F121-V165 HydrophobicContact CE1-CG1 4.29Å; F121-V165 HydrophobicContact CE1-CG2 3.79Å; F121-V165 HydrophobicContact CG-CG1 4.23Å; F121-V165 HydrophobicContact CZ-CB 4.46Å; F121-V165 HydrophobicContact CZ-CG2 4.02Å; I123-V165 HydrophobicContact CD1-CG1 3.49Å; I123-V165 VanDerWaalsContact CD1-CG1 3.49Å; I123-V165 HydrophobicContact CG1-CG1 3.84Å; I123-V165 HydrophobicContact CG1-CG2 4.28Å; L152-V165 HydrophobicContact CB-CG2 4.06Å; L152-V165 HydrophobicContact CD1-CG2 4.07Å; C154-V165 WeakPolarHBondContact SG-CG2 3.45Å; N161-V165 PolarHBondContact O-N 3.33Å; V162-V165 PolarHBondContact O-N 3.28Å; V165-T169 WeakPolarHBondContact O-CB 3.34Å; V165-T169 PolarHBondContact O-N 3.19Å; V165-T169 VanDerWaalsContact O-N 3.12Å; V165-T169 PolarHBondContact O-OG1 3.14Å
166F97.6Very high96Very high3 Ų342.1 Ų42.11%0.01322%0.221CC..Hα-helixtrans-68.8-39.1-178.6-73.6-88.4000111.9Y15 I17 F32 I65 L89 V162 E163 N164 A170Y15-F166 AromaticContact CD2-CD1 3.87Å; Y15-F166 HydrophobicContact CD2-CD1 3.87Å; Y15-F166 HydrophobicContact CD2-CE1 4.26Å; Y15-F166 HydrophobicContact CE2-CD1 4.01Å; Y15-F166 PolarHBondContact OH-O 3.41Å; I17-F166 HydrophobicContact CD1-CE1 4.46Å; I17-F166 HydrophobicContact CD1-CZ 4.12Å; F32-F166 HydrophobicContact CB-CD2 3.69Å; F32-F166 HydrophobicContact CB-CE2 3.57Å; F32-F166 HydrophobicContact CB-CG 4.35Å; F32-F166 HydrophobicContact CB-CZ 4.12Å; F32-F166 HydrophobicContact CD1-CB 4.34Å; F32-F166 AromaticContact CD1-CD1 3.82Å; F32-F166 HydrophobicContact CD1-CD1 3.82Å; F32-F166 HydrophobicContact CD1-CD2 4.02Å; F32-F166 HydrophobicContact CD1-CE1 4.09Å; F32-F166 HydrophobicContact CD1-CE2 4.29Å; F32-F166 AromaticContact CD1-CG 3.8Å; F32-F166 HydrophobicContact CD1-CG 3.8Å; F32-F166 HydrophobicContact CD1-CZ 4.32Å; F32-F166 HydrophobicContact CD2-CB 3.75Å; F32-F166 AromaticContact CD2-CD2 3.63Å; F32-F166 HydrophobicContact CD2-CD2 3.63Å; F32-F166 HydrophobicContact CD2-CE2 4.39Å; F32-F166 AromaticContact CD2-CG 3.74Å; F32-F166 HydrophobicContact CD2-CG 3.74Å; F32-F166 HydrophobicContact CE1-CB 4.05Å; F32-F166 AromaticContact CE1-CD1 3.9Å; F32-F166 HydrophobicContact CE1-CD1 3.9Å; F32-F166 AromaticContact CE1-CG 3.93Å; F32-F166 HydrophobicContact CE1-CG 3.93Å; F32-F166 HydrophobicContact CE2-CB 3.44Å; F32-F166 VanDerWaalsContact CE2-CB 3.44Å; F32-F166 HydrophobicContact CE2-CD2 4.24Å; F32-F166 AromaticContact CE2-CG 3.9Å; F32-F166 HydrophobicContact CE2-CG 3.9Å; F32-F166 HydrophobicContact CG-CB 4.19Å; F32-F166 HydrophobicContact CG-CD1 4.16Å; F32-F166 AromaticContact CG-CD2 3.49Å; F32-F166 HydrophobicContact CG-CD2 3.49Å; F32-F166 VanDerWaalsContact CG-CD2 3.49Å; F32-F166 HydrophobicContact CG-CE1 4.45Å; F32-F166 AromaticContact CG-CE2 3.85Å; F32-F166 HydrophobicContact CG-CE2 3.85Å; F32-F166 AromaticContact CG-CG 3.69Å; F32-F166 HydrophobicContact CG-CG 3.69Å; F32-F166 HydrophobicContact CG-CZ 4.31Å; F32-F166 HydrophobicContact CZ-CB 3.6Å; F32-F166 HydrophobicContact CZ-CD1 4.33Å; F32-F166 AromaticContact CZ-CG 3.99Å; F32-F166 HydrophobicContact CZ-CG 3.99Å; I65-F166 HydrophobicContact CD1-CD1 4.02Å; I65-F166 HydrophobicContact CD1-CE1 3.52Å; I65-F166 HydrophobicContact CD1-CZ 4.25Å; I65-F166 HydrophobicContact CG1-CE1 4.09Å; I65-F166 HydrophobicContact CG2-CE1 4.5Å; L89-F166 HydrophobicContact CD1-CD1 3.95Å; L89-F166 HydrophobicContact CD1-CE1 3.42Å; L89-F166 VanDerWaalsContact CD1-CE1 3.42Å; L89-F166 HydrophobicContact CD1-CE2 4.39Å; L89-F166 HydrophobicContact CD1-CZ 3.68Å; V162-F166 HydrophobicContact CG1-CD2 4.39Å; V162-F166 HydrophobicContact CG1-CE2 4.2Å; V162-F166 VanDerWaalsContact O-CD2 3.3Å; V162-F166 WeakPolarHBondContact O-CD2 3.23Å; E163-F166 PolarHBondContact O-N 3.39Å; N164-F166 PolarHBondContact O-N 3.24Å; F166-A170 WeakPolarHBondContact O-CB 3.31Å; F166-A170 PolarHBondContact O-N 2.85Å; F166-A170 VanDerWaalsContact O-N 3.1Å
167T96.7Very high95.6Very high26 Ų2642.7 Ų42.716%0.1623%0.225CC..Hα-helixtrans-73.5-40.9-178.5-52.80000112.4I54 E163 N164 A170 R171I54-T167 HydrophobicContact CD1-CG2 4.46Å; E163-T167 VanDerWaalsContact O-CB 3.31Å; E163-T167 WeakPolarHBondContact O-CB 3.39Å; E163-T167 PolarHBondContact O-N 3.42Å; E163-T167 PolarHBondContact O-OG1 3.31Å; N164-T167 PolarHBondContact O-N 3.41Å; T167-A170 PolarHBondContact O-N 3.01Å; T167-R171 PolarHBondContact O-N 2.94Å
168E97.1Very high95.1Very high73 Ų7342.2 Ų42.234%0.34122%0.224SC..Hα-helixtrans-63.4-43.3175.2-71.2-53.2139.300111.2F121 N164 A170 R171 K172F121-E168 HydrophobicContact CE2-CB 3.88Å; N164-E168 VanDerWaalsContact O-CB 3.26Å; N164-E168 WeakPolarHBondContact O-CB 3.43Å; N164-E168 WeakPolarHBondContact O-CG 3.32Å; N164-E168 PolarHBondContact O-N 2.82Å; E168-A170 VanDerWaalsContact C-N 3.25Å; E168-A170 PolarHBondContact O-N 2.87Å; E168-R171 PolarHBondContact O-N 3.42Å; E168-R171 IonicContact OE1-CZ 2.84Å; E168-R171 IonicContact OE1-NH1 3.56Å; E168-R171 PolarHBondContact OE1-NH1 3.3Å; E168-R171 IonicContact OE1-NH2 2.9Å; E168-R171 IonicContact OE2-CZ 2.85Å; E168-R171 IonicContact OE2-NH1 3.89Å; E168-R171 PolarHBondContact OE2-NH1 3.01Å; E168-K172 PolarHBondContact O-N 3.11Å
169T97.4Very high94.7Very high0 Ų043.3 Ų43.30%022%0.224CC..Hα-helixtrans-57.3-43.5173.3-54.10000110.3Y15 L89 V119 F121 V165 K172 I173Y15-T169 HydrophobicContact CE1-CG2 4.01Å; Y15-T169 HydrophobicContact CE2-CG2 3.73Å; Y15-T169 VanDerWaalsContact CZ-CG2 3.45Å; Y15-T169 WeakPolarHBondContact OH-CB 3.27Å; Y15-T169 WeakPolarHBondContact OH-CG2 3.06Å; L89-T169 HydrophobicContact CD2-CG2 4.33Å; V119-T169 HydrophobicContact CB-CG2 4.31Å; V119-T169 HydrophobicContact CG1-CG2 4Å; F121-T169 WeakPolarHBondContact CD2-OG1 3.14Å; V165-T169 WeakPolarHBondContact O-CB 3.34Å; V165-T169 PolarHBondContact O-N 3.19Å; V165-T169 VanDerWaalsContact O-N 3.12Å; V165-T169 PolarHBondContact O-OG1 3.14Å; T169-K172 PolarHBondContact O-N 3.22Å; T169-I173 HydrophobicContact CG2-CD1 3.95Å; T169-I173 VanDerWaalsContact O-CG1 3.3Å; T169-I173 WeakPolarHBondContact O-CG1 3.46Å; T169-I173 PolarHBondContact O-N 3.12Å
170A96.8Very high93.9Very high0 Ų044.1 Ų44.10%023%0.232CC..Hα-helixtrans-69-40.9-178.600000111.8F13 Y15 I54 V56 I63 F166 T167 E168 K172 I173 F174F13-A170 HydrophobicContact CD2-CB 4.15Å; F13-A170 HydrophobicContact CE2-CB 4.21Å; F13-A170 WeakPolarHBondContact CE2-O 3.49Å; Y15-A170 WeakPolarHBondContact OH-CA 3.06Å; Y15-A170 VanDerWaalsContact OH-CB 3.29Å; Y15-A170 WeakPolarHBondContact OH-CB 3.33Å; Y15-A170 PolarHBondContact OH-N 3.08Å; I54-A170 HydrophobicContact CD1-CB 3.7Å; V56-A170 HydrophobicContact CG2-CB 3.85Å; I63-A170 HydrophobicContact CD1-CB 4.15Å; F166-A170 WeakPolarHBondContact O-CB 3.31Å; F166-A170 PolarHBondContact O-N 2.85Å; F166-A170 VanDerWaalsContact O-N 3.1Å; T167-A170 PolarHBondContact O-N 3.01Å; E168-A170 VanDerWaalsContact C-N 3.25Å; E168-A170 PolarHBondContact O-N 2.87Å; A170-K172 VanDerWaalsContact C-N 3.32Å; A170-K172 PolarHBondContact O-N 3.36Å; A170-I173 PolarHBondContact O-N 3.36Å; A170-F174 VanDerWaalsContact O-CB 3.27Å; A170-F174 WeakPolarHBondContact O-CB 3.41Å; A170-F174 PolarHBondContact O-N 2.67Å
171R96.1Very high92.7Very high96 Ų9644.4 Ų44.436%0.36223%0.231SC..Hα-helixtrans-61.3-42.1175.4-166.4-177.8-59.4124.82.7111.4V56 T167 E168 F174 Q175V56-R171 HydrophobicContact CG1-CB 4.17Å; V56-R171 HydrophobicContact CG1-CG 4.33Å; T167-R171 PolarHBondContact O-N 2.94Å; E168-R171 PolarHBondContact O-N 3.42Å; E168-R171 IonicContact OE1-CZ 2.84Å; E168-R171 IonicContact OE1-NH1 3.56Å; E168-R171 PolarHBondContact OE1-NH1 3.3Å; E168-R171 IonicContact OE1-NH2 2.9Å; E168-R171 IonicContact OE2-CZ 2.85Å; E168-R171 IonicContact OE2-NH1 3.89Å; E168-R171 PolarHBondContact OE2-NH1 3.01Å; R171-F174 PolarHBondContact O-N 2.99Å; R171-Q175 WeakPolarHBondContact O-CB 3.21Å; R171-Q175 PolarHBondContact O-N 2.86Å
172K95.3Very high91.4Very high78 Ų7841.9 Ų41.934%0.33922%0.218SC..Hα-helixtrans-67.4-42178-170.869.5-166.1168.30112.4V119 L150 E168 T169 A170 F174 Q175 N176V119-K172 HydrophobicContact CB-CG 4.45Å; V119-K172 HydrophobicContact CG1-CB 4Å; V119-K172 HydrophobicContact CG1-CG 3.96Å; V119-K172 HydrophobicContact CG2-CB 3.94Å; V119-K172 HydrophobicContact CG2-CG 3.57Å; L150-K172 HydrophobicContact CD1-CB 4.3Å; E168-K172 PolarHBondContact O-N 3.11Å; T169-K172 PolarHBondContact O-N 3.22Å; A170-K172 VanDerWaalsContact C-N 3.32Å; A170-K172 PolarHBondContact O-N 3.36Å; K172-F174 VanDerWaalsContact C-N 3.34Å; K172-Q175 WeakPolarHBondContact O-CB 3.43Å; K172-Q175 PolarHBondContact O-N 2.79Å; K172-N176 VanDerWaalsContact O-CG 3.25Å; K172-N176 PolarHBondContact O-N 2.89Å; K172-N176 PolarHBondContact O-OD1 3.1Å
173I94.7Very high90Very high2 Ų250.4 Ų50.41%0.0125%0.251CS..Hα-helixtrans-62.9-44.2174.5-67164.3000110.4F13 Y15 S86 V119 T169 A170 Q175 N176 V177 V191F13-I173 HydrophobicContact CD1-CG2 3.8Å; F13-I173 HydrophobicContact CD2-CB 4.12Å; F13-I173 HydrophobicContact CD2-CD1 4.34Å; F13-I173 HydrophobicContact CD2-CG2 3.91Å; F13-I173 HydrophobicContact CE1-CG2 3.71Å; F13-I173 HydrophobicContact CE2-CB 3.97Å; F13-I173 HydrophobicContact CE2-CG2 3.82Å; F13-I173 HydrophobicContact CG-CG2 3.92Å; F13-I173 HydrophobicContact CZ-CB 4.29Å; F13-I173 HydrophobicContact CZ-CG2 3.73Å; Y15-I173 HydrophobicContact CD1-CD1 4.27Å; Y15-I173 HydrophobicContact CE1-CD1 3.35Å; S86-I173 VanDerWaalsContact O-CD1 3.29Å; S86-I173 WeakPolarHBondContact O-CD1 3.45Å; S86-I173 WeakPolarHBondContact O-CG1 3.27Å; V119-I173 HydrophobicContact CB-CD1 4.43Å; V119-I173 HydrophobicContact CB-CG1 3.84Å; V119-I173 HydrophobicContact CG2-CB 4.49Å; V119-I173 HydrophobicContact CG2-CG1 3.52Å; T169-I173 HydrophobicContact CG2-CD1 3.95Å; T169-I173 VanDerWaalsContact O-CG1 3.3Å; T169-I173 WeakPolarHBondContact O-CG1 3.46Å; T169-I173 PolarHBondContact O-N 3.12Å; A170-I173 PolarHBondContact O-N 3.36Å; I173-Q175 VanDerWaalsContact C-N 3.33Å; I173-Q175 PolarHBondContact O-N 3.47Å; I173-N176 PolarHBondContact O-N 2.96Å; I173-V177 WeakPolarHBondContact O-CG2 3.23Å; I173-V177 PolarHBondContact O-N 2.96Å; I173-V191 HydrophobicContact CG2-CG2 3.74Å
174F92.9Very high88.7Confident13 Ų1351 Ų516%0.05726%0.256CS..Hα-helixtrans-59.8-43.9176.7-174.9-92.7000111.5Y11 F13 V56 N57 Q59 A170 R171 K172 V177 Q178Y11-F174 HydrophobicContact CD2-CD2 4.32Å; Y11-F174 HydrophobicContact CD2-CE2 4.06Å; Y11-F174 HydrophobicContact CE2-CD2 4.26Å; Y11-F174 AromaticContact CE2-CE2 3.62Å; Y11-F174 HydrophobicContact CE2-CE2 3.62Å; F13-F174 HydrophobicContact CE2-CB 4.34Å; F13-F174 HydrophobicContact CZ-CB 4.12Å; F13-F174 HydrophobicContact CZ-CD2 4.41Å; V56-F174 HydrophobicContact CG1-CB 4.04Å; V56-F174 HydrophobicContact CG1-CG 4.2Å; N57-F174 HydrophobicContact CB-CE1 4.07Å; Q59-F174 HydrophobicContact CB-CE2 4.02Å; Q59-F174 HydrophobicContact CB-CZ 4.44Å; Q59-F174 HydrophobicContact CG-CE2 3.87Å; Q59-F174 HydrophobicContact CG-CZ 3.92Å; A170-F174 VanDerWaalsContact O-CB 3.27Å; A170-F174 WeakPolarHBondContact O-CB 3.41Å; A170-F174 PolarHBondContact O-N 2.67Å; R171-F174 PolarHBondContact O-N 2.99Å; K172-F174 VanDerWaalsContact C-N 3.34Å; F174-V177 WeakPolarHBondContact O-CB 3.4Å; F174-V177 PolarHBondContact O-N 2.77Å; F174-Q178 HydrophobicContact CD1-CG 4Å; F174-Q178 HydrophobicContact CE1-CG 3.66Å; F174-Q178 HydrophobicContact CZ-CG 4.18Å; F174-Q178 VanDerWaalsContact CZ-NE2 3.28Å; F174-Q178 WeakPolarHBondContact O-CG 3.36Å; F174-Q178 PolarHBondContact O-N 3.41Å
175Q92.1Very high87.3Confident89 Ų8950.4 Ų50.442%0.41625%0.253SS..Hα-helixtrans-57.6-49173.2-175-178.22600111.4R171 K172 I173 V177 Q178 D179R171-Q175 WeakPolarHBondContact O-CB 3.21Å; R171-Q175 PolarHBondContact O-N 2.86Å; K172-Q175 WeakPolarHBondContact O-CB 3.43Å; K172-Q175 PolarHBondContact O-N 2.79Å; I173-Q175 VanDerWaalsContact C-N 3.33Å; I173-Q175 PolarHBondContact O-N 3.47Å; Q175-V177 PolarHBondContact O-N 3.28Å; Q175-Q178 PolarHBondContact O-N 3.27Å; Q175-D179 VanDerWaalsContact O-CG 3.28Å; Q175-D179 PolarHBondContact O-N 2.94Å
176N90.4Very high85.9Confident24 Ų2452.1 Ų52.113%0.12827%0.265CS..Hα-helixtrans-60-29.8178.4-65.5-3000112.8N117 K172 I173 G180 S181 V182N117-N176 PolarHBondContact O-ND2 3.42Å; K172-N176 VanDerWaalsContact O-CG 3.25Å; K172-N176 PolarHBondContact O-N 2.89Å; K172-N176 PolarHBondContact O-OD1 3.1Å; I173-N176 PolarHBondContact O-N 2.96Å; N176-G180 PolarHBondContact O-N 3.32Å; N176-S181 WeakPolarHBondContact O-CA 3.35Å; N176-S181 WeakPolarHBondContact O-CB 3.49Å; N176-S181 PolarHBondContact O-N 3.25Å; N176-V182 HydrophobicContact CB-CG2 3.83Å; N176-V182 PolarHBondContact O-N 2.66Å; N176-V182 VanDerWaalsContact O-N 3.11Å
177V87.2Confident84.3Confident15 Ų1557.5 Ų57.59%0.09130%0.298CS..Hα-helixtrans-71.3-44.6172.9169.40000111.1Y11 I173 F174 Q175 D179 G180 V182 L184 V191Y11-V177 HydrophobicContact CE1-CG1 4.15Å; I173-V177 WeakPolarHBondContact O-CG2 3.23Å; I173-V177 PolarHBondContact O-N 2.96Å; F174-V177 WeakPolarHBondContact O-CB 3.4Å; F174-V177 PolarHBondContact O-N 2.77Å; Q175-V177 PolarHBondContact O-N 3.28Å; V177-D179 VanDerWaalsContact C-N 3.3Å; V177-D179 PolarHBondContact O-N 3.11Å; V177-G180 PolarHBondContact O-N 3.32Å; V177-G180 VanDerWaalsContact O-N 3.15Å; V177-V182 HydrophobicContact CG2-CB 4.06Å; V177-V182 HydrophobicContact CG2-CG1 4.23Å; V177-L184 HydrophobicContact CG1-CD1 4.42Å; V177-L184 HydrophobicContact CG1-CD2 3.69Å; V177-L184 HydrophobicContact CG1-CG 4.18Å; V177-L184 HydrophobicContact CG2-CD2 4.29Å; V177-V191 HydrophobicContact CG2-CB 4.36Å; V177-V191 HydrophobicContact CG2-CG1 3.95Å; V177-V191 HydrophobicContact CG2-CG2 4.06Å
178Q86Confident82.9Confident112 Ų11260.3 Ų60.352%0.52331%0.312SS..Hα-helixtrans-64.2-37177.6-63.6-54.8-47.200111.9F174 Q175 G180F174-Q178 HydrophobicContact CD1-CG 4Å; F174-Q178 HydrophobicContact CE1-CG 3.66Å; F174-Q178 HydrophobicContact CZ-CG 4.18Å; F174-Q178 VanDerWaalsContact CZ-NE2 3.28Å; F174-Q178 WeakPolarHBondContact O-CG 3.36Å; F174-Q178 PolarHBondContact O-N 3.41Å; Q175-Q178 PolarHBondContact O-N 3.27Å; Q178-G180 PolarHBondContact O-N 3.5Å
179D87.4Confident81.4Confident103 Ų10357.1 Ų57.155%0.55130%0.298SS*.THydrogen-bonded Turntrans-75.8-0.3177.8-62-17.8000112.7Q175 V177 S181Q175-D179 VanDerWaalsContact O-CG 3.28Å; Q175-D179 PolarHBondContact O-N 2.94Å; V177-D179 VanDerWaalsContact C-N 3.3Å; V177-D179 PolarHBondContact O-N 3.11Å; D179-S181 PolarHBondContact O-N 3Å
180G79Confident80.1Confident43 Ų4357.7 Ų57.744%0.44330%0.304SS..THydrogen-bonded Turntrans70.37.3-178.700000114.6N176 V177 Q178 V182N176-G180 PolarHBondContact O-N 3.32Å; V177-G180 PolarHBondContact O-N 3.32Å; V177-G180 VanDerWaalsContact O-N 3.15Å; Q178-G180 PolarHBondContact O-N 3.5Å; G180-V182 VanDerWaalsContact C-N 3.31Å; G180-V182 PolarHBondContact O-N 2.63Å
181S72.7Confident78.9Confident54 Ų5457.7 Ų57.738%0.37830%0.304SS..  trans-73.1-24178.8-63.20000112.2N117 N176 D179N117-S181 PolarHBondContact ND2-O 3.15Å; N176-S181 WeakPolarHBondContact O-CA 3.35Å; N176-S181 WeakPolarHBondContact O-CB 3.49Å; N176-S181 PolarHBondContact O-N 3.25Å; D179-S181 PolarHBondContact O-N 3Å
182V71Confident78Confident11 Ų1157 Ų577%0.06731%0.307CS..SBendtrans-115.4115174.7176.80000110N117 N176 V177 G180 L184 V191N117-V182 HydrophobicContact CB-CG2 3.72Å; N176-V182 HydrophobicContact CB-CG2 3.83Å; N176-V182 PolarHBondContact O-N 2.66Å; N176-V182 VanDerWaalsContact O-N 3.11Å; V177-V182 HydrophobicContact CG2-CB 4.06Å; V177-V182 HydrophobicContact CG2-CG1 4.23Å; G180-V182 VanDerWaalsContact C-N 3.31Å; G180-V182 PolarHBondContact O-N 2.63Å; V182-L184 PolarHBondContact O-N 3.43Å; V182-V191 HydrophobicContact CG1-CB 4.16Å; V182-V191 HydrophobicContact CG1-CG2 3.75Å
183Y66.6Low77.1Confident181 Ų18154.1 Ų54.171%0.7130%0.297SS*.  trans-71.9119.8174.7-63-73.6000111.1S186Y183-S186 WeakPolarHBondContact O-CB 3.26Å; Y183-S186 PolarHBondContact O-N 3.08Å; Y183-S186 PolarHBondContact O-OG 2.96Å
184L70.7Confident75.7Confident67 Ų6758.5 Ų58.535%0.35132%0.316SS..THydrogen-bonded Turntrans-59.5138174.1-64.8176.2000111.1Y11 V177 V182 S186 V191Y11-L184 HydrophobicContact CD1-CD2 4.08Å; Y11-L184 HydrophobicContact CE1-CD1 4.32Å; Y11-L184 HydrophobicContact CE1-CD2 3.91Å; V177-L184 HydrophobicContact CG1-CD1 4.42Å; V177-L184 HydrophobicContact CG1-CD2 3.69Å; V177-L184 HydrophobicContact CG1-CG 4.18Å; V177-L184 HydrophobicContact CG2-CD2 4.29Å; V182-L184 PolarHBondContact O-N 3.43Å; L184-S186 PolarHBondContact O-N 2.96Å; L184-S186 VanDerWaalsContact O-N 3.15Å; L184-V191 HydrophobicContact CD2-CB 4.22Å; L184-V191 HydrophobicContact CD2-CG1 3.42Å; L184-V191 VanDerWaalsContact CD2-CG1 3.42Å
185N67Low73.9Confident67 Ų6760.9 Ų60.936%0.35834%0.344SS..THydrogen-bonded Turntrans60.815.5179.8-39.5-58000115.2V191 S193 S196N185-V191 PolarHBondContact N-O 3.31Å; N185-S193 PolarHBondContact OD1-N 2.87Å; N185-S193 VanDerWaalsContact OD1-N 3.12Å; N185-S196 WeakPolarHBondContact ND2-CB 3.41Å; N185-S196 PolarHBondContact ND2-OG 3.13Å
186S69.3Low71.8Confident37 Ų3759.5 Ų59.526%0.25934%0.344SS..  trans-68.5132.1163.660.70000108.9Y183 L184 D188 G189Y183-S186 WeakPolarHBondContact O-CB 3.26Å; Y183-S186 PolarHBondContact O-N 3.08Å; Y183-S186 PolarHBondContact O-OG 2.96Å; L184-S186 PolarHBondContact O-N 2.96Å; L184-S186 VanDerWaalsContact O-N 3.15Å; S186-D188 PolarHBondContact O-N 2.95Å; S186-G189 PolarHBondContact O-N 3.19Å; S186-G189 VanDerWaalsContact OG-CA 3.32Å; S186-G189 WeakPolarHBondContact OG-CA 3.21Å; S186-G189 PolarHBondContact OG-N 2.96Å; S186-G189 VanDerWaalsContact OG-N 3.13Å
187V63.8Low69.5Low117 Ų11765 Ų6571%0.70937%0.373SS*.THydrogen-bonded Turntrans-57.3-24.9179.5-160.40000111.2
188D66.8Low67Low84 Ų8469.8 Ų69.845%0.44940%0.402SS..THydrogen-bonded Turntrans-98.1-19.8-175.2-56.2-36.9000113.7R83 S186R83-D188 IonicContact CZ-OD1 2.81Å; R83-D188 IonicContact NE-OD1 2.58Å; R83-D188 IonicContact NH2-OD1 2.71Å; R83-D188 PolarHBondContact NH2-OD1 3.31Å; S186-D188 PolarHBondContact O-N 2.95Å
189G66.3Low64.3Low6 Ų670.9 Ų70.96%0.06242%0.419CS..THydrogen-bonded Turntrans-88.5-15.7-173.200000115.4S86 S186 V191S86-G189 WeakPolarHBondContact CB-O 3.17Å; S186-G189 PolarHBondContact O-N 3.19Å; S186-G189 VanDerWaalsContact OG-CA 3.32Å; S186-G189 WeakPolarHBondContact OG-CA 3.21Å; S186-G189 PolarHBondContact OG-N 2.96Å; S186-G189 VanDerWaalsContact OG-N 3.13Å; G189-V191 PolarHBondContact O-N 3.48Å
190G69.5Low61.6Low12 Ų1268.6 Ų68.612%0.12442%0.42CS..  trans69.215.7171.800000116.4K14 G84 S86K14-G190 PolarHBondContact N-O 3.4Å; G84-G190 WeakPolarHBondContact O-CA 3.43Å; S86-G190 PolarHBondContact OG-O 2.83Å
191V72.8Confident59.4Low0 Ų073.5 Ų73.50%044%0.442CS..EExtended strand (participates in β ladder)trans-119.9118.2174-177.90000109.4Y11 I12 F13 I173 V177 V182 L184 N185 G189Y11-V191 HydrophobicContact CD1-CG1 4.08Å; I12-V191 WeakPolarHBondContact O-CA 3.37Å; F13-V191 HydrophobicContact CD1-CB 4.28Å; F13-V191 HydrophobicContact CD1-CG1 3.83Å; F13-V191 HydrophobicContact CD1-CG2 3.79Å; F13-V191 HydrophobicContact CE1-CB 4.36Å; F13-V191 HydrophobicContact CE1-CG1 3.56Å; F13-V191 HydrophobicContact CE1-CG2 3.94Å; I173-V191 HydrophobicContact CG2-CG2 3.74Å; V177-V191 HydrophobicContact CG2-CB 4.36Å; V177-V191 HydrophobicContact CG2-CG1 3.95Å; V177-V191 HydrophobicContact CG2-CG2 4.06Å; V182-V191 HydrophobicContact CG1-CB 4.16Å; V182-V191 HydrophobicContact CG1-CG2 3.75Å; L184-V191 HydrophobicContact CD2-CB 4.22Å; L184-V191 HydrophobicContact CD2-CG1 3.42Å; L184-V191 VanDerWaalsContact CD2-CG1 3.42Å; N185-V191 PolarHBondContact N-O 3.31Å; G189-V191 PolarHBondContact O-N 3.48Å
192L76Confident57.5Low82 Ų8274.9 Ų74.943%0.42946%0.464SS..EExtended strand (participates in β ladder)trans-106.8132.3174.3-56.6173.5000109.5Y11 I12Y11-L192 CarbonylContact C-O 3.49Å; Y11-L192 VanDerWaalsContact CA-O 3.26Å; Y11-L192 WeakPolarHBondContact CA-O 3.48Å; I12-L192 HydrophobicContact CB-CB 4.13Å; I12-L192 HydrophobicContact CD1-CB 4.37Å; I12-L192 HydrophobicContact CD1-CD1 4.15Å; I12-L192 HydrophobicContact CG1-CB 4.41Å; I12-L192 PolarHBondContact N-O 3.14Å; I12-L192 PolarHBondContact O-N 3.04Å; I12-L192 VanDerWaalsContact O-N 3.1Å
193S76.5Confident55.6Low18 Ų1885.7 Ų85.713%0.12650%0.504CS..EExtended strand (participates in β ladder)trans-105.4127.7170.7175.90000110S10 N185 G195 S196S10-S193 WeakPolarHBondContact O-CA 3.35Å; N185-S193 PolarHBondContact OD1-N 2.87Å; N185-S193 VanDerWaalsContact OD1-N 3.12Å; S193-G195 PolarHBondContact O-N 2.83Å; S193-G195 PolarHBondContact OG-N 2.57Å; S193-S196 PolarHBondContact O-N 2.9Å; S193-S196 PolarHBondContact O-OG 3.08Å
194K65Low54.2Low94 Ų9484.4 Ų84.441%0.40951%0.509SS..G310 helixtrans-67-19.8178.3-94.1-176.2166.6174.30113.2Y9 S10 S196Y9-K194 HydrophobicContact CD2-CD 3.88Å; Y9-K194 HydrophobicContact CD2-CG 4.48Å; Y9-K194 HydrophobicContact CE2-CD 3.59Å; Y9-K194 HydrophobicContact CE2-CG 4.1Å; Y9-K194 VanDerWaalsContact O-CD 3.32Å; Y9-K194 WeakPolarHBondContact O-CD 3.46Å; Y9-K194 WeakPolarHBondContact OH-CE 3.04Å; Y9-K194 PolarHBondContact OH-NZ 3.08Å; S10-K194 PolarHBondContact O-N 3.26Å; K194-S196 PolarHBondContact O-N 2.99Å
195G55.1Low52.6Low62 Ų6286.8 Ų86.864%0.63953%0.531SS*.G310 helixtrans-69.4-7.9178.900000115.1S193S193-G195 PolarHBondContact O-N 2.83Å; S193-G195 PolarHBondContact OG-N 2.57Å
196S48.1Very low51.2Low61 Ų6189.1 Ų89.143%0.42755%0.548SS..G310 helixtrans-99.6-3.1-175.7-1.10000114.1N185 S193 K194N185-S196 WeakPolarHBondContact ND2-CB 3.41Å; N185-S196 PolarHBondContact ND2-OG 3.13Å; S193-S196 PolarHBondContact O-N 2.9Å; S193-S196 PolarHBondContact O-OG 3.08Å; K194-S196 PolarHBondContact O-N 2.99Å
197L43.1Very low49.6Very low140 Ų14096.4 Ų96.473%0.73358%0.578SS**  trans-101.919.8-173.8-76.9162.2000114P199L197-P199 WeakPolarHBondContact O-CD 3.43Å
198T34.4Very low48.6Very low115 Ų11598.5 Ų98.571%0.70658%0.584SS**  trans-99.398.9170.247.80000111.2G200T198-G200 PolarHBondContact O-N 3.38Å
199P30Very low47.3Very low134 Ų13498.1 Ų98.187%0.8760%0.6SS**  trans-76.696.9159.629.8-28.3000107.8L197L197-P199 WeakPolarHBondContact O-CD 3.43Å
200G30.6Very low45.8Very low56 Ų56105.3 Ų105.358%0.57764%0.637SS**  trans180122.6177.100000114.6T198T198-G200 PolarHBondContact O-N 3.38Å
201T32.7Very low44.7Very low146 Ų146110.8 Ų110.890%0.89667%0.674SS**  trans85.746.7165.4700000118R203T201-R203 PolarHBondContact O-N 3.24Å; T201-R203 VanDerWaalsContact O-N 3.13Å
202G32.4Very low43.2Very low82 Ų82115.3 Ų115.385%0.84571%0.711SS**  trans-69.893.815000000110.7N204G202-N204 PolarHBondContact O-N 3.05Å
203R31.5Very low41.7Very low239 Ų239116.5 Ų116.590%0.90273%0.726SS**  trans-58.3111.6160.9-92.5173.9162155.5-6.6108.7T201T201-R203 PolarHBondContact O-N 3.24Å; T201-R203 VanDerWaalsContact O-N 3.13Å
204N37.5Very low40.2Very low153 Ų153121.5 Ų121.582%0.81876%0.756SS**  trans-12795.2155-84.9-20.5000107.9G202 V206G202-N204 PolarHBondContact O-N 3.05Å; N204-V206 PolarHBondContact O-N 2.78Å
205S35.2Very low39.1Very low117 Ų117124.7 Ų124.782%0.81878%0.778SS**  trans-61.6115160.143.70000108.7
206V39.4Very low38.4Very low116 Ų116125.7 Ų125.770%0.70379%0.787SS**  trans-119.793.7162.2-178.80000106.4N204 L208N204-V206 PolarHBondContact O-N 2.78Å; V206-L208 HydrophobicContact CG1-CD1 3.73Å; V206-L208 HydrophobicContact CG1-CG 4.08Å
207E35.3Very low38Very low191 Ų191126.1 Ų126.189%0.89380%0.802SS**  trans-71.7116158.9-79.8179.9134.100107.9
208L42.1Very low38.3Very low160 Ų160125.6 Ų125.684%0.83880%0.804SS**  trans-133.1111.7161.5-84.9162.1000107.4V206V206-L208 HydrophobicContact CG1-CD1 3.73Å; V206-L208 HydrophobicContact CG1-CG 4.08Å
209G39Very low38.9Very low76 Ų76130.2 Ų130.278%0.78481%0.809SS**  trans-72.1154.2-171.900000114.9
210N35.6Very low39.9Very low157 Ų157131.7 Ų131.784%0.8480%0.804SS**  trans9123.9155.3-76.8-5.7000118.4
211S46.2Very low40.9Very low128 Ų128135.2 Ų135.290%0.89582%0.82SS**  -167.9143.1108.2-78.20000112.1
212A42Very low41.6Very low94 Ų94131.5 Ų131.578%0.77781%0.811SS**  trans-68.5149.9-17000000115
213S43.7Very low42.1Very low108 Ų108134.1 Ų134.176%0.75581%0.814SS**  166114.9112.647.70000112.8
214T44.2Very low42.7Very low122 Ų122126.9 Ų126.975%0.74881%0.806SS**  trans28.2125139.837.30000123.6
215N42.2Very low43Very low162 Ų162129.6 Ų129.687%0.86683%0.834SS**  trans81.3113.5130.2-80.2-5.3000121.3
216G41.4Very low43.4Very low82 Ų82130.2 Ų130.285%0.84584%0.835SS**  125.8123.4117.400000116
217G39.4Very low43.6Very low71 Ų71130.9 Ų130.973%0.73284%0.842SS**  trans120.679.4147.500000118.2
218T48.5Very low44.1Very low128 Ų128127.6 Ų127.679%0.78584%0.839SS**  trans23.1128.6134.426.30000122.6
219R47.3Very low44.2Very low212 Ų212125.7 Ų125.780%0.884%0.839SS**  104.3112.6126.4-80.4178.6-176.5-167.61.6120.1
220Q52.3Low44.5Very low165 Ų165128.8 Ų128.877%0.77184%0.843SS**  80.2126.8124.7-78.9178.9-11.100121.3
221S50.9Low45.1Very low131 Ų131126.9 Ų126.992%0.91684%0.843SS**  trans72.3129.8144.4-178.10000116.1
222G46.4Very low45Very low67 Ų67126.9 Ų126.969%0.69184%0.839SS**  cis173.4165.110.600000107.9
223C43.1Very low45.2Very low137 Ų137129.4 Ų129.493%0.92684%0.844SS**  trans-34.4164.3170-79.20000116
224A44.7Very low45.4Very low88 Ų88131.2 Ų131.273%0.72785%0.852SS**  cis-176.3163.2-1100000105.5
225C44.1Very low45.5Very low209 Ų209132 Ų132100%1.41286%0.861SS**  trans-127.50152.6-77.40000107.4

Retrieved 225 of 225 residues in 91.1 ms (Link to these results)

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