A0A3Q0KMU9_SCHMA Loading...

Calbindin-32, putative

AlphaFold DB , UniProt , Accession A0A3Q0KMU9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 298 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M28.5Very low52.1Low235 Ų235127.4 Ų127.4100%1.15865%0.649SS**  0102.60-82.5172.3176.300106.9K3M1-K3 PolarHBondContact O-N 3.41Å
2N29.7Very low55Low166 Ų166121.8 Ų121.889%0.88863%0.63SS**  trans-65.598.2179.4-84.2-8.8000109.3L4N2-L4 VanDerWaalsContact C-N 3.31Å; N2-L4 PolarHBondContact O-N 3.24Å
3K27Very low57.6Low203 Ų203119.8 Ų119.888%0.88362%0.616SS**  trans-77.689.7158.4-78.9-178173.7-177.20106.3M1 S5M1-K3 PolarHBondContact O-N 3.41Å; K3-S5 PolarHBondContact O-N 3.22Å
4L30.2Very low59.9Low160 Ų160112 Ų11284%0.83858%0.575SS**  trans-54.7119156.1-82.4150.1000105.9N2 K6N2-L4 VanDerWaalsContact C-N 3.31Å; N2-L4 PolarHBondContact O-N 3.24Å; L4-K6 PolarHBondContact O-N 2.64Å
5S29.7Very low61.6Low108 Ų108106.9 Ų106.976%0.75555%0.547SS*.  trans-50.8122.4172.747.80000108.2K3 S7K3-S5 PolarHBondContact O-N 3.22Å; S5-S7 PolarHBondContact O-N 2.96Å
6K39.7Very low63Low196 Ų196103.3 Ų103.385%0.85253%0.529SS*.  trans-51.1108.2160.7-78.3-179.6169.6-1710105.9L4 E8L4-K6 PolarHBondContact O-N 2.64Å; K6-E8 PolarHBondContact O-N 3.4Å
7S51.1Low63.7Low84 Ų84107.1 Ų107.159%0.58755%0.547SS*.PPolyproline II helixtrans-57127.1159.354.60000105.4S5 N9S5-S7 PolarHBondContact O-N 2.96Å; S7-N9 PolarHBondContact O-N 3.34Å
8E71.2Confident64.4Low180 Ų180109.8 Ų109.884%0.84156%0.563SS**PPolyproline II helixtrans-55.3127.8173-79.6175.6143.900107.5K6 F10K6-E8 PolarHBondContact O-N 3.4Å; E8-F10 PolarHBondContact O-N 3.44Å; E8-F10 VanDerWaalsContact O-N 3.07Å
9N84.2Confident65Low34 Ų34106.4 Ų106.418%0.18255%0.55CS.*PPolyproline II helixtrans-54.3116.2176.3172.3-27.2000107.8S7 L11 S12 E56 S60S7-N9 PolarHBondContact O-N 3.34Å; N9-L11 PolarHBondContact O-N 2.96Å; N9-L11 PolarHBondContact OD1-N 3.05Å; N9-L11 VanDerWaalsContact OD1-N 3.08Å; N9-S12 WeakPolarHBondContact O-CB 3.18Å; N9-S12 PolarHBondContact O-N 3.27Å; N9-S12 PolarHBondContact O-OG 2.98Å; N9-S12 PolarHBondContact OD1-N 2.86Å; N9-S12 VanDerWaalsContact OD1-N 3.15Å; N9-E56 HydrophobicContact CB-CG 4.47Å; N9-E56 PolarHBondContact ND2-O 3.08Å; N9-E56 WeakPolarHBondContact OD1-CB 3.41Å; N9-E56 PolarHBondContact OD1-O 3.17Å; N9-S60 PolarHBondContact ND2-OG 2.57Å; N9-S60 PolarHBondContact OD1-OG 2.83Å; N9-S60 VanDerWaalsContact OD1-OG 3.14Å
10F91.4Very high65.3Low35 Ų35104 Ų10415%0.15454%0.538CS..G310 helixtrans-65.6-40.9-171.4175.8-98.1000111.3E8 S12 Q13 F14 E32 V33 H36 Y37 E56E8-F10 PolarHBondContact O-N 3.44Å; E8-F10 VanDerWaalsContact O-N 3.07Å; F10-S12 PolarHBondContact O-N 3.05Å; F10-Q13 VanDerWaalsContact CD2-NE2 3.3Å; F10-Q13 VanDerWaalsContact O-CG 3.23Å; F10-Q13 WeakPolarHBondContact O-CG 3.2Å; F10-Q13 PolarHBondContact O-N 3.41Å; F10-Q13 PolarHBondContact O-NE2 3.25Å; F10-Q13 VanDerWaalsContact O-NE2 3.08Å; F10-F14 HydrophobicContact CD1-CE2 4.44Å; F10-F14 AromaticContact CE1-CE2 3.8Å; F10-F14 HydrophobicContact CE1-CE2 3.8Å; F10-F14 HydrophobicContact CZ-CE2 4.03Å; F10-F14 HydrophobicContact CZ-CZ 4.5Å; F10-E32 HydrophobicContact CZ-CG 4.08Å; F10-V33 HydrophobicContact CE1-CG2 4Å; F10-H36 WeakPolarHBondContact CB-NE2 3.37Å; F10-H36 HydrophobicContact CD1-CB 4.06Å; F10-H36 AromaticContact CD1-CD2 3.55Å; F10-H36 AromaticContact CD1-CG 3.61Å; F10-H36 AromaticContact CD2-CE1 3.65Å; F10-H36 AromaticContact CD2-ND1 3.61Å; F10-H36 HydrophobicContact CE1-CB 3.75Å; F10-H36 AromaticContact CE1-CG 3.78Å; F10-H36 AromaticContact CE2-ND1 3.81Å; F10-H36 AromaticContact CG-CD2 3.63Å; F10-H36 AromaticContact CG-CE1 3.63Å; F10-H36 AromaticContact CG-CG 3.74Å; F10-H36 AromaticContact CG-ND1 3.75Å; F10-H36 AromaticContact CG-NE2 3.56Å; F10-H36 HydrophobicContact CZ-CB 4.02Å; F10-Y37 HydrophobicContact CD1-CE2 4.24Å; F10-E56 WeakPolarHBondContact CB-OE2 3.37Å; F10-E56 PolarHBondContact N-OE2 2.89Å
11L90.5Very high66.1Low0 Ų0101.6 Ų101.60%053%0.53CS..G310 helixtrans-66.5-21.8178.3-80167.9000113.7N9 Q13 F14 V33 Y37 F53 E56 F57 S60N9-L11 PolarHBondContact O-N 2.96Å; N9-L11 PolarHBondContact OD1-N 3.05Å; N9-L11 VanDerWaalsContact OD1-N 3.08Å; L11-Q13 PolarHBondContact O-N 2.78Å; L11-Q13 VanDerWaalsContact O-N 3.13Å; L11-F14 HydrophobicContact CD2-CD2 4.37Å; L11-F14 PolarHBondContact O-N 3.44Å; L11-V33 HydrophobicContact CD2-CG1 4.02Å; L11-V33 HydrophobicContact CD2-CG2 4.16Å; L11-Y37 HydrophobicContact CD1-CE2 4.03Å; L11-Y37 WeakPolarHBondContact CD1-OH 3.37Å; L11-Y37 HydrophobicContact CD2-CE2 4.48Å; L11-Y37 HydrophobicContact CG-CE2 4.02Å; L11-Y37 VanDerWaalsContact CG-OH 3.31Å; L11-Y37 WeakPolarHBondContact CG-OH 3.21Å; L11-F53 HydrophobicContact CD1-CD2 4.03Å; L11-F53 HydrophobicContact CD1-CE2 3.89Å; L11-E56 HydrophobicContact CD1-CB 4.3Å; L11-F57 HydrophobicContact CD1-CB 3.82Å; L11-F57 HydrophobicContact CD1-CD2 4.24Å; L11-S60 WeakPolarHBondContact CB-OG 3.48Å
12S86.3Confident68.9Low60 Ų6091 Ų9142%0.4248%0.478SS..G310 helixtrans-61.4-25.4-178.473.50000113.5N9 F10 F14 K15 S60N9-S12 WeakPolarHBondContact O-CB 3.18Å; N9-S12 PolarHBondContact O-N 3.27Å; N9-S12 PolarHBondContact O-OG 2.98Å; N9-S12 PolarHBondContact OD1-N 2.86Å; N9-S12 VanDerWaalsContact OD1-N 3.15Å; F10-S12 PolarHBondContact O-N 3.05Å; S12-F14 PolarHBondContact O-N 3.28Å; S12-K15 WeakPolarHBondContact O-CB 3.4Å; S12-K15 PolarHBondContact O-N 3.01Å; S12-S60 PolarHBondContact N-OG 3.03Å
13Q88.8Confident71.8Confident97 Ų9787 Ų8745%0.45345%0.453SS..G310 helixtrans-66.8-25.8175.676.5-169.8-46.500112.8F10 L11 K23F10-Q13 VanDerWaalsContact CD2-NE2 3.3Å; F10-Q13 VanDerWaalsContact O-CG 3.23Å; F10-Q13 WeakPolarHBondContact O-CG 3.2Å; F10-Q13 PolarHBondContact O-N 3.41Å; F10-Q13 PolarHBondContact O-NE2 3.25Å; F10-Q13 VanDerWaalsContact O-NE2 3.08Å; L11-Q13 PolarHBondContact O-N 2.78Å; L11-Q13 VanDerWaalsContact O-N 3.13Å; Q13-K23 PolarHBondContact O-NZ 3.27Å
14F90.1Very high74.9Confident10 Ų1084.2 Ų84.24%0.04444%0.438CS..G310 helixtrans-92.73.5178.5-56.3-72.1000112.8F10 L11 S12 L22 K23 F25 Q29 V33F10-F14 HydrophobicContact CD1-CE2 4.44Å; F10-F14 AromaticContact CE1-CE2 3.8Å; F10-F14 HydrophobicContact CE1-CE2 3.8Å; F10-F14 HydrophobicContact CZ-CE2 4.03Å; F10-F14 HydrophobicContact CZ-CZ 4.5Å; L11-F14 HydrophobicContact CD2-CD2 4.37Å; L11-F14 PolarHBondContact O-N 3.44Å; S12-F14 PolarHBondContact O-N 3.28Å; F14-L22 HydrophobicContact CB-CD2 4.47Å; F14-K23 WeakPolarHBondContact O-CB 3.28Å; F14-K23 WeakPolarHBondContact O-CG 3.32Å; F14-K23 PolarHBondContact O-N 3.48Å; F14-F25 HydrophobicContact CB-CE1 3.8Å; F14-F25 HydrophobicContact CB-CE2 4.32Å; F14-F25 HydrophobicContact CB-CZ 3.43Å; F14-F25 VanDerWaalsContact CB-CZ 3.43Å; F14-F25 HydrophobicContact CD1-CD1 4.25Å; F14-F25 AromaticContact CD1-CE1 3.59Å; F14-F25 HydrophobicContact CD1-CE1 3.59Å; F14-F25 HydrophobicContact CD1-CZ 4.14Å; F14-F25 AromaticContact CD2-CE1 3.76Å; F14-F25 HydrophobicContact CD2-CE1 3.76Å; F14-F25 HydrophobicContact CD2-CZ 4.07Å; F14-F25 HydrophobicContact CE1-CE1 4.07Å; F14-F25 HydrophobicContact CE2-CE1 4.21Å; F14-F25 HydrophobicContact CG-CD1 4.48Å; F14-F25 AromaticContact CG-CE1 3.43Å; F14-F25 HydrophobicContact CG-CE1 3.43Å; F14-F25 VanDerWaalsContact CG-CE1 3.43Å; F14-F25 AromaticContact CG-CZ 3.63Å; F14-F25 HydrophobicContact CG-CZ 3.63Å; F14-F25 HydrophobicContact CZ-CE1 4.36Å; F14-Q29 HydrophobicContact CE1-CB 4.1Å; F14-Q29 HydrophobicContact CE1-CG 4.09Å; F14-V33 HydrophobicContact CD2-CG2 4.11Å; F14-V33 HydrophobicContact CE2-CG2 3.72Å; F14-V33 HydrophobicContact CZ-CG2 4.27Å
15K85.7Confident77.9Confident35 Ų3576.6 Ų76.615%0.15240%0.398CS..BIsolated β-bridgetrans-66.6135.8174.8-160.4-171.1179.1-173.80110.9S12 N20 K23 S60 S63 E64S12-K15 WeakPolarHBondContact O-CB 3.4Å; S12-K15 PolarHBondContact O-N 3.01Å; K15-N20 PolarHBondContact NZ-OD1 3.01Å; K15-K23 WeakPolarHBondContact O-CE 3.46Å; K15-K23 PolarHBondContact O-NZ 2.9Å; K15-S60 WeakPolarHBondContact CD-O 3.4Å; K15-S60 WeakPolarHBondContact CE-O 3.22Å; K15-S63 PolarHBondContact NZ-OG 2.88Å; K15-E64 IonicContact NZ-OE1 2.72Å
16D83.1Confident81Confident49 Ų4973.9 Ų73.926%0.26238%0.377SS..  trans-69.6136.1167.2-163.7-49.2000108.9N18 S19 S21 K23D16-N18 PolarHBondContact O-N 3.19Å; D16-N18 PolarHBondContact OD1-N 3.32Å; D16-S19 WeakPolarHBondContact CB-OG 3.49Å; D16-S21 PolarHBondContact N-O 3.11Å; D16-K23 HydrophobicContact CB-CG 4.11Å
17M76.4Confident83.6Confident168 Ų16864.5 Ų64.583%0.82834%0.336SS*.SBendtrans-75.5-16-179.9-64.9-172-169.700112.7
18N75.7Confident85.8Confident156 Ų15662.6 Ų62.683%0.83433%0.326SS*.SBendtrans-109.2-4.5-174.1-55.6-54.5000113.2D16D16-N18 PolarHBondContact O-N 3.19Å; D16-N18 PolarHBondContact OD1-N 3.32Å
19S75.2Confident86.9Confident46 Ų4657 Ų5732%0.32230%0.299SS..SBendtrans-143.8155.6177.257.30000111.8D16 S21D16-S19 WeakPolarHBondContact CB-OG 3.49Å; S19-S21 PolarHBondContact O-N 3.41Å; S19-S21 PolarHBondContact OG-OG 2.96Å
20N72.4Confident87.5Confident58 Ų5855.4 Ų55.431%0.3129%0.291SS..SBendtrans-7844.5169.4-76.7-34.1000111.6K15 E64K15-N20 PolarHBondContact NZ-OD1 3.01Å; N20-E64 PolarHBondContact ND2-OE2 2.97Å; N20-E64 WeakPolarHBondContact OD1-CG 3.28Å; N20-E64 PolarHBondContact OD1-OE2 3.37Å
21S81.5Confident87.7Confident53 Ų5353.8 Ų53.837%0.37128%0.284SS..SBendtrans-131.9160.2177.867.90000110.5D16 S19D16-S21 PolarHBondContact N-O 3.11Å; S19-S21 PolarHBondContact O-N 3.41Å; S19-S21 PolarHBondContact OG-OG 2.96Å
22L86.7Confident87.9Confident14 Ų1458.1 Ų58.17%0.07330%0.304CS..BIsolated β-bridgetrans-70150.8166.9-59.3173.8000109.8F14 F25 F57 L104 P105F14-L22 HydrophobicContact CB-CD2 4.47Å; L22-F25 HydrophobicContact CB-CE2 3.83Å; L22-F25 HydrophobicContact CB-CZ 4.42Å; L22-F25 HydrophobicContact CD1-CE2 4.13Å; L22-F25 HydrophobicContact CD1-CZ 4.31Å; L22-F57 HydrophobicContact CD1-CD2 3.99Å; L22-F57 HydrophobicContact CD1-CE2 3.65Å; L22-L104 HydrophobicContact CD1-CD2 3.76Å; L22-P105 HydrophobicContact CB-CG 4.27Å
23K90.5Very high88.4Confident80 Ų8055.2 Ų55.235%0.34828%0.284SS..PPolyproline II helixtrans-64.7161.1168.8-70.2169.9-176.7147.40109.6Q13 F14 K15 D16 F25 P105Q13-K23 PolarHBondContact O-NZ 3.27Å; F14-K23 WeakPolarHBondContact O-CB 3.28Å; F14-K23 WeakPolarHBondContact O-CG 3.32Å; F14-K23 PolarHBondContact O-N 3.48Å; K15-K23 WeakPolarHBondContact O-CE 3.46Å; K15-K23 PolarHBondContact O-NZ 2.9Å; D16-K23 HydrophobicContact CB-CG 4.11Å; K23-F25 WeakPolarHBondContact O-CD2 3.31Å; K23-F25 WeakPolarHBondContact O-CE2 3.43Å; K23-F25 PolarHBondContact O-N 2.76Å; K23-P105 WeakPolarHBondContact O-CG 3.33Å
24Y91.6Very high88.7Confident145 Ų14551 Ų5157%0.56926%0.264SS*.PPolyproline II helixtrans-68.8128.1170.9-159.7-105.5000111P105 T106 E107 E108Y24-P105 CarbonylContact C-O 3.59Å; Y24-P105 VanDerWaalsContact CA-O 3.3Å; Y24-P105 WeakPolarHBondContact CA-O 3.44Å; Y24-P105 HydrophobicContact CD2-CB 4.32Å; Y24-P105 WeakPolarHBondContact CD2-O 3.35Å; Y24-T106 PolarHBondContact OH-O 3.07Å; Y24-E107 HydrophobicContact CE1-CB 3.81Å; Y24-E107 VanDerWaalsContact OH-CA 3.3Å; Y24-E107 WeakPolarHBondContact OH-CA 3.26Å; Y24-E108 PolarHBondContact OH-N 2.93Å
25F94.3Very high88.9Confident1 Ų153.9 Ų53.90%0.00428%0.279CS..BIsolated β-bridgetrans-90.8138-176.2-71.4-103.8000111.5F14 L22 K23 Q29 V33 L104 P105 T106 E107F14-F25 HydrophobicContact CB-CE1 3.8Å; F14-F25 HydrophobicContact CB-CE2 4.32Å; F14-F25 HydrophobicContact CB-CZ 3.43Å; F14-F25 VanDerWaalsContact CB-CZ 3.43Å; F14-F25 HydrophobicContact CD1-CD1 4.25Å; F14-F25 AromaticContact CD1-CE1 3.59Å; F14-F25 HydrophobicContact CD1-CE1 3.59Å; F14-F25 HydrophobicContact CD1-CZ 4.14Å; F14-F25 AromaticContact CD2-CE1 3.76Å; F14-F25 HydrophobicContact CD2-CE1 3.76Å; F14-F25 HydrophobicContact CD2-CZ 4.07Å; F14-F25 HydrophobicContact CE1-CE1 4.07Å; F14-F25 HydrophobicContact CE2-CE1 4.21Å; F14-F25 HydrophobicContact CG-CD1 4.48Å; F14-F25 AromaticContact CG-CE1 3.43Å; F14-F25 HydrophobicContact CG-CE1 3.43Å; F14-F25 VanDerWaalsContact CG-CE1 3.43Å; F14-F25 AromaticContact CG-CZ 3.63Å; F14-F25 HydrophobicContact CG-CZ 3.63Å; F14-F25 HydrophobicContact CZ-CE1 4.36Å; L22-F25 HydrophobicContact CB-CE2 3.83Å; L22-F25 HydrophobicContact CB-CZ 4.42Å; L22-F25 HydrophobicContact CD1-CE2 4.13Å; L22-F25 HydrophobicContact CD1-CZ 4.31Å; K23-F25 WeakPolarHBondContact O-CD2 3.31Å; K23-F25 WeakPolarHBondContact O-CE2 3.43Å; K23-F25 PolarHBondContact O-N 2.76Å; F25-Q29 HydrophobicContact CB-CB 4.38Å; F25-Q29 HydrophobicContact CD1-CB 3.71Å; F25-Q29 HydrophobicContact CG-CB 4.49Å; F25-V33 HydrophobicContact CD1-CG2 4.25Å; F25-V33 HydrophobicContact CE1-CG2 3.58Å; F25-V33 HydrophobicContact CZ-CG2 4.39Å; F25-L104 HydrophobicContact CD2-CB 4.37Å; F25-L104 HydrophobicContact CE2-CD2 4.25Å; F25-L104 HydrophobicContact CZ-CD2 4.32Å; F25-P105 HydrophobicContact CD2-CG 4.23Å; F25-P105 HydrophobicContact CE2-CG 4.4Å; F25-P105 PolarHBondContact N-O 3.34Å; F25-T106 HydrophobicContact CB-CG2 4.33Å; F25-E107 PolarHBondContact O-N 3.06Å
26T94.7Very high89.4Confident50 Ų5055.7 Ų55.731%0.30729%0.288SS..PPolyproline II helixtrans-77.416316077.20000110.3A28 Q29 F30 E170T26-A28 VanDerWaalsContact C-N 3.26Å; T26-A28 PolarHBondContact O-N 3Å; T26-Q29 VanDerWaalsContact N-OE1 3.09Å; T26-Q29 PolarHBondContact O-N 3.42Å; T26-Q29 PolarHBondContact OG1-N 3.45Å; T26-F30 PolarHBondContact O-N 3.45Å; T26-E170 WeakPolarHBondContact CB-OE1 3.27Å; T26-E170 PolarHBondContact OG1-OE1 3.31Å
27A95.1Very high90Very high0 Ų053.4 Ų53.40%028%0.276CS..Hα-helixtrans-51.5-46.9174.600000111.5Q29 F30 V31 E107 F110 Y171 S174A27-Q29 VanDerWaalsContact C-N 3.33Å; A27-Q29 PolarHBondContact O-N 3.34Å; A27-F30 WeakPolarHBondContact O-CB 3.4Å; A27-F30 PolarHBondContact O-N 3.17Å; A27-V31 WeakPolarHBondContact O-CG2 3.27Å; A27-V31 PolarHBondContact O-N 3.38Å; A27-E107 WeakPolarHBondContact CA-OE1 3.12Å; A27-E107 WeakPolarHBondContact CB-OE1 3.4Å; A27-E107 PolarHBondContact N-OE1 3.19Å; A27-F110 HydrophobicContact CB-CB 4.24Å; A27-F110 HydrophobicContact CB-CD1 3.81Å; A27-F110 HydrophobicContact CB-CD2 3.46Å; A27-F110 VanDerWaalsContact CB-CD2 3.46Å; A27-F110 HydrophobicContact CB-CE1 3.91Å; A27-F110 HydrophobicContact CB-CE2 3.6Å; A27-F110 HydrophobicContact CB-CG 3.57Å; A27-F110 HydrophobicContact CB-CZ 3.82Å; A27-Y171 HydrophobicContact CB-CD1 3.8Å; A27-Y171 HydrophobicContact CB-CE1 4.01Å; A27-S174 WeakPolarHBondContact CB-OG 3.39Å
28A95.5Very high90.9Very high44 Ų4446 Ų4636%0.36424%0.24SC..Hα-helixtrans-59.9-41178.200000112.8T26 V31 E32T26-A28 VanDerWaalsContact C-N 3.26Å; T26-A28 PolarHBondContact O-N 3Å; A28-V31 PolarHBondContact O-N 3Å; A28-E32 WeakPolarHBondContact O-CB 3.37Å; A28-E32 PolarHBondContact O-N 2.93Å
29Q95.7Very high91.8Very high63 Ų6344.5 Ų44.529%0.29423%0.231SC..Hα-helixtrans-72.1-35.8178.4-64.8175.2-43.800112.1F14 F25 T26 A27 V31 E32 V33F14-Q29 HydrophobicContact CE1-CB 4.1Å; F14-Q29 HydrophobicContact CE1-CG 4.09Å; F25-Q29 HydrophobicContact CB-CB 4.38Å; F25-Q29 HydrophobicContact CD1-CB 3.71Å; F25-Q29 HydrophobicContact CG-CB 4.49Å; T26-Q29 VanDerWaalsContact N-OE1 3.09Å; T26-Q29 PolarHBondContact O-N 3.42Å; T26-Q29 PolarHBondContact OG1-N 3.45Å; A27-Q29 VanDerWaalsContact C-N 3.33Å; A27-Q29 PolarHBondContact O-N 3.34Å; Q29-V31 VanDerWaalsContact C-N 3.34Å; Q29-E32 WeakPolarHBondContact O-CB 3.25Å; Q29-E32 PolarHBondContact O-N 3.45Å; Q29-V33 WeakPolarHBondContact O-CG2 3.47Å; Q29-V33 PolarHBondContact O-N 2.93Å
30F96.2Very high92.7Very high0 Ų047.2 Ų47.20%024%0.242CC..Hα-helixtrans-59.8-47.3173.2178.3-89000110.9T26 A27 E32 V33 W34 L97 M100 A101 L104 T106 F110T26-F30 PolarHBondContact O-N 3.45Å; A27-F30 WeakPolarHBondContact O-CB 3.4Å; A27-F30 PolarHBondContact O-N 3.17Å; F30-E32 VanDerWaalsContact C-N 3.31Å; F30-E32 PolarHBondContact O-N 3.43Å; F30-V33 PolarHBondContact O-N 3.09Å; F30-W34 PolarHBondContact O-N 3.36Å; F30-L97 HydrophobicContact CE1-CD1 3.65Å; F30-L97 HydrophobicContact CE1-CG 4.3Å; F30-L97 HydrophobicContact CZ-CD1 4.18Å; F30-M100 HydrophobicContact CE2-CB 4.27Å; F30-M100 HydrophobicContact CE2-CG 3.67Å; F30-M100 HydrophobicContact CZ-CB 4.01Å; F30-M100 HydrophobicContact CZ-CG 3.74Å; F30-A101 HydrophobicContact CE2-CB 4.42Å; F30-A101 HydrophobicContact CZ-CB 4.24Å; F30-L104 HydrophobicContact CD2-CB 4.15Å; F30-L104 HydrophobicContact CD2-CD1 3.82Å; F30-L104 HydrophobicContact CE2-CB 4.26Å; F30-L104 HydrophobicContact CE2-CD1 4.04Å; F30-T106 HydrophobicContact CB-CG2 3.86Å; F30-T106 HydrophobicContact CD2-CG2 4.01Å; F30-T106 WeakPolarHBondContact CD2-OG1 3.4Å; F30-T106 HydrophobicContact CG-CG2 4.11Å; F30-F110 HydrophobicContact CB-CE1 4.19Å; F30-F110 AromaticContact CD1-CE1 3.65Å; F30-F110 HydrophobicContact CD1-CE1 3.65Å; F30-F110 HydrophobicContact CD1-CZ 4.48Å; F30-F110 HydrophobicContact CE1-CE1 4.29Å; F30-F110 HydrophobicContact CG-CE1 4.09Å
31V95.5Very high93.5Very high0 Ų046.3 Ų46.30%025%0.245CC..Hα-helixtrans-63.2-38.6176.1175.80000111.7A27 A28 Q29 V33 W34 N35 F110 Q177 L178A27-V31 WeakPolarHBondContact O-CG2 3.27Å; A27-V31 PolarHBondContact O-N 3.38Å; A28-V31 PolarHBondContact O-N 3Å; Q29-V31 VanDerWaalsContact C-N 3.34Å; V31-V33 VanDerWaalsContact C-N 3.33Å; V31-V33 PolarHBondContact O-N 3.24Å; V31-W34 PolarHBondContact O-N 3.34Å; V31-N35 WeakPolarHBondContact CG1-ND2 3.28Å; V31-N35 WeakPolarHBondContact O-CB 3.38Å; V31-N35 PolarHBondContact O-N 3.09Å; V31-F110 HydrophobicContact CG2-CZ 4.2Å; V31-Q177 HydrophobicContact CG1-CB 3.68Å; V31-L178 HydrophobicContact CB-CD2 4.4Å; V31-L178 HydrophobicContact CB-CG 4.46Å; V31-L178 HydrophobicContact CG1-CD2 4.08Å; V31-L178 HydrophobicContact CG1-CG 4.15Å; V31-L178 HydrophobicContact CG2-CD1 3.65Å; V31-L178 HydrophobicContact CG2-CD2 3.97Å; V31-L178 HydrophobicContact CG2-CG 3.63Å
32E95.4Very high93.9Very high91 Ų9146.2 Ų46.243%0.42524%0.241SC..Hα-helixtrans-59.7-43.9175.1-165.2-169.3157.800111.6F10 A28 Q29 F30 H36F10-E32 HydrophobicContact CZ-CG 4.08Å; A28-E32 WeakPolarHBondContact O-CB 3.37Å; A28-E32 PolarHBondContact O-N 2.93Å; Q29-E32 WeakPolarHBondContact O-CB 3.25Å; Q29-E32 PolarHBondContact O-N 3.45Å; F30-E32 VanDerWaalsContact C-N 3.31Å; F30-E32 PolarHBondContact O-N 3.43Å; E32-H36 WeakPolarHBondContact O-CB 3.46Å; E32-H36 PolarHBondContact O-N 2.99Å; E32-H36 VanDerWaalsContact O-N 3.1Å
33V95.7Very high94Very high0 Ų046.7 Ų46.70%025%0.249CC..Hα-helixtrans-66.2-46.2175.3174.80000111.4F10 L11 F14 F25 Q29 F30 V31 H36 Y37 M100 L104F10-V33 HydrophobicContact CE1-CG2 4Å; L11-V33 HydrophobicContact CD2-CG1 4.02Å; L11-V33 HydrophobicContact CD2-CG2 4.16Å; F14-V33 HydrophobicContact CD2-CG2 4.11Å; F14-V33 HydrophobicContact CE2-CG2 3.72Å; F14-V33 HydrophobicContact CZ-CG2 4.27Å; F25-V33 HydrophobicContact CD1-CG2 4.25Å; F25-V33 HydrophobicContact CE1-CG2 3.58Å; F25-V33 HydrophobicContact CZ-CG2 4.39Å; Q29-V33 WeakPolarHBondContact O-CG2 3.47Å; Q29-V33 PolarHBondContact O-N 2.93Å; F30-V33 PolarHBondContact O-N 3.09Å; V31-V33 VanDerWaalsContact C-N 3.33Å; V31-V33 PolarHBondContact O-N 3.24Å; V33-H36 WeakPolarHBondContact O-CB 3.43Å; V33-H36 PolarHBondContact O-N 3.16Å; V33-Y37 HydrophobicContact CG1-CD2 3.89Å; V33-Y37 HydrophobicContact CG1-CE2 3.87Å; V33-Y37 VanDerWaalsContact O-CD2 3.24Å; V33-Y37 WeakPolarHBondContact O-CD2 3.47Å; V33-Y37 PolarHBondContact O-N 3.06Å; V33-M100 HydrophobicContact CG1-CE 4.4Å; V33-L104 HydrophobicContact CB-CD1 4.06Å; V33-L104 HydrophobicContact CG1-CD1 3.68Å
34W95.8Very high94.2Very high8 Ų846.7 Ų46.73%0.0325%0.247CC..Hα-helixtrans-55.3-56.3178.2-179.4-92.1000111.1F30 V31 H36 Y37 D38 G43 I45 I95 L97 M100 L178F30-W34 PolarHBondContact O-N 3.36Å; V31-W34 PolarHBondContact O-N 3.34Å; W34-H36 PolarHBondContact O-N 3.21Å; W34-H36 VanDerWaalsContact O-N 3.16Å; W34-Y37 PolarHBondContact O-N 3.36Å; W34-D38 HydrophobicContact CZ2-CB 4.45Å; W34-D38 PolarHBondContact NE1-OD2 2.86Å; W34-D38 WeakPolarHBondContact O-CB 3.46Å; W34-D38 PolarHBondContact O-N 2.68Å; W34-G43 WeakPolarHBondContact CZ2-O 3.21Å; W34-I45 HydrophobicContact CE3-CD1 3.97Å; W34-I45 HydrophobicContact CH2-CG1 4.34Å; W34-I45 HydrophobicContact CZ3-CD1 3.89Å; W34-I45 HydrophobicContact CZ3-CG1 4.19Å; W34-I95 WeakPolarHBondContact CH2-O 3.32Å; W34-L97 HydrophobicContact CD2-CD1 3.43Å; W34-L97 VanDerWaalsContact CD2-CD1 3.43Å; W34-L97 HydrophobicContact CE3-CD1 3.62Å; W34-L97 HydrophobicContact CG-CD1 3.84Å; W34-L97 HydrophobicContact CH2-CB 4.08Å; W34-L97 HydrophobicContact CH2-CD1 4.36Å; W34-L97 HydrophobicContact CZ2-CB 4.29Å; W34-L97 HydrophobicContact CZ2-CD1 4.2Å; W34-L97 VanDerWaalsContact CZ3-CA 3.48Å; W34-L97 HydrophobicContact CZ3-CB 4.26Å; W34-L97 HydrophobicContact CZ3-CD1 4.1Å; W34-M100 HydrophobicContact CE3-CB 3.83Å; W34-M100 HydrophobicContact CE3-CE 4.19Å; W34-M100 HydrophobicContact CE3-CG 3.97Å; W34-M100 HydrophobicContact CZ3-CB 3.74Å; W34-M100 HydrophobicContact CZ3-CG 4.34Å; W34-L178 HydrophobicContact CB-CD2 4.13Å; W34-L178 VanDerWaalsContact CD1-CD2 3.48Å; W34-L178 HydrophobicContact CG-CD2 3.81Å
35N94.4Very high94.4Very high70 Ų7039.8 Ų39.837%0.37422%0.22SC..Hα-helixtrans-65.9-19-178.8-70.5-15.4000113.6V31V31-N35 WeakPolarHBondContact CG1-ND2 3.28Å; V31-N35 WeakPolarHBondContact O-CB 3.38Å; V31-N35 PolarHBondContact O-N 3.09Å
36H95.7Very high94.4Very high73 Ų7342.4 Ų42.434%0.33823%0.232SC..Hα-helixtrans-72.6-34.8173.7-176.780.9000112F10 E32 V33 W34F10-H36 WeakPolarHBondContact CB-NE2 3.37Å; F10-H36 HydrophobicContact CD1-CB 4.06Å; F10-H36 AromaticContact CD1-CD2 3.55Å; F10-H36 AromaticContact CD1-CG 3.61Å; F10-H36 AromaticContact CD2-CE1 3.65Å; F10-H36 AromaticContact CD2-ND1 3.61Å; F10-H36 HydrophobicContact CE1-CB 3.75Å; F10-H36 AromaticContact CE1-CG 3.78Å; F10-H36 AromaticContact CE2-ND1 3.81Å; F10-H36 AromaticContact CG-CD2 3.63Å; F10-H36 AromaticContact CG-CE1 3.63Å; F10-H36 AromaticContact CG-CG 3.74Å; F10-H36 AromaticContact CG-ND1 3.75Å; F10-H36 AromaticContact CG-NE2 3.56Å; F10-H36 HydrophobicContact CZ-CB 4.02Å; E32-H36 WeakPolarHBondContact O-CB 3.46Å; E32-H36 PolarHBondContact O-N 2.99Å; E32-H36 VanDerWaalsContact O-N 3.1Å; V33-H36 WeakPolarHBondContact O-CB 3.43Å; V33-H36 PolarHBondContact O-N 3.16Å; W34-H36 PolarHBondContact O-N 3.21Å; W34-H36 VanDerWaalsContact O-N 3.16Å
37Y96.3Very high94.4Very high1 Ų142.2 Ų42.20%0.00424%0.24CC..Hα-helixtrans-101.4-32.2-174.8-67.3-67.4000113.5F10 L11 V33 W34 I39 E49 F53 E56F10-Y37 HydrophobicContact CD1-CE2 4.24Å; L11-Y37 HydrophobicContact CD1-CE2 4.03Å; L11-Y37 WeakPolarHBondContact CD1-OH 3.37Å; L11-Y37 HydrophobicContact CD2-CE2 4.48Å; L11-Y37 HydrophobicContact CG-CE2 4.02Å; L11-Y37 VanDerWaalsContact CG-OH 3.31Å; L11-Y37 WeakPolarHBondContact CG-OH 3.21Å; V33-Y37 HydrophobicContact CG1-CD2 3.89Å; V33-Y37 HydrophobicContact CG1-CE2 3.87Å; V33-Y37 VanDerWaalsContact O-CD2 3.24Å; V33-Y37 WeakPolarHBondContact O-CD2 3.47Å; V33-Y37 PolarHBondContact O-N 3.06Å; W34-Y37 PolarHBondContact O-N 3.36Å; Y37-I39 VanDerWaalsContact C-N 3.28Å; Y37-I39 PolarHBondContact O-N 3.05Å; Y37-E49 VanDerWaalsContact O-CB 3.23Å; Y37-E49 WeakPolarHBondContact O-CB 3.42Å; Y37-E49 VanDerWaalsContact O-CG 3.26Å; Y37-E49 WeakPolarHBondContact O-CG 3.38Å; Y37-F53 HydrophobicContact CD1-CB 3.69Å; Y37-F53 HydrophobicContact CD1-CD2 4.33Å; Y37-F53 HydrophobicContact CD2-CB 4.38Å; Y37-F53 AromaticContact CD2-CD2 3.57Å; Y37-F53 HydrophobicContact CD2-CD2 3.57Å; Y37-F53 HydrophobicContact CD2-CE2 4.33Å; Y37-F53 HydrophobicContact CD2-CG 4.38Å; Y37-F53 VanDerWaalsContact CE1-CA 3.49Å; Y37-F53 HydrophobicContact CE1-CB 4.02Å; Y37-F53 HydrophobicContact CE1-CD2 4.34Å; Y37-F53 AromaticContact CE2-CD2 3.57Å; Y37-F53 HydrophobicContact CE2-CD2 3.57Å; Y37-F53 HydrophobicContact CE2-CE2 4.25Å; Y37-F53 HydrophobicContact CG-CB 3.91Å; Y37-F53 AromaticContact CG-CD2 3.98Å; Y37-F53 HydrophobicContact CG-CD2 3.98Å; Y37-F53 HydrophobicContact CG-CG 4.36Å; Y37-F53 AromaticContact CZ-CD2 3.98Å; Y37-E56 WeakPolarHBondContact OH-CB 3.18Å; Y37-E56 PolarHBondContact OH-OE2 3.11Å
38D95.6Very high94.3Very high12 Ų1246.7 Ų46.76%0.06427%0.272CS..  trans-78.178.3168.5-177.87.8000108.8W34 G41 N42 G43 I45W34-D38 HydrophobicContact CZ2-CB 4.45Å; W34-D38 PolarHBondContact NE1-OD2 2.86Å; W34-D38 WeakPolarHBondContact O-CB 3.46Å; W34-D38 PolarHBondContact O-N 2.68Å; D38-G41 WeakPolarHBondContact OD1-CA 3.43Å; D38-G41 PolarHBondContact OD1-N 3.26Å; D38-N42 PolarHBondContact OD1-N 3.38Å; D38-N42 VanDerWaalsContact OD1-N 3.11Å; D38-G43 WeakPolarHBondContact OD2-CA 3.44Å; D38-G43 PolarHBondContact OD2-N 3.03Å; D38-G43 VanDerWaalsContact OD2-N 3.16Å; D38-I45 HydrophobicContact CB-CG1 4.33Å
39I94.3Very high94.3Very high126 Ų12645.3 Ų45.365%0.64626%0.258SS*.SBendtrans-74.7-38.7-169.1-65172.5000110.4Y37 E49Y37-I39 VanDerWaalsContact C-N 3.28Å; Y37-I39 PolarHBondContact O-N 3.05Å; I39-E49 WeakPolarHBondContact CA-OE1 3.49Å; I39-E49 HydrophobicContact CB-CG 4.44Å; I39-E49 WeakPolarHBondContact CB-OE1 3.46Å; I39-E49 HydrophobicContact CD1-CG 4.29Å; I39-E49 HydrophobicContact CG1-CG 4.37Å; I39-E49 PolarHBondContact N-OE1 2.9Å
40D92.8Very high94.3Very high103 Ų10342.4 Ų42.455%0.55125%0.245SC*.SBendtrans-83.1-13.3178.274.26.3000113.4N42 E49D40-N42 VanDerWaalsContact C-N 3.3Å; D40-N42 VanDerWaalsContact CG-ND2 3.29Å; D40-N42 WeakPolarHBondContact OD1-CB 3.38Å; D40-N42 PolarHBondContact OD1-N 3.16Å; D40-N42 PolarHBondContact OD1-ND2 3.38Å; D40-N42 PolarHBondContact OD2-ND2 3.36Å; D40-E49 PolarHBondContact N-OE1 2.96Å
41G90.1Very high94Very high38 Ų3845.8 Ų45.839%0.39226%0.262SS..  trans73.522.1176.900000113D38 G43D38-G41 WeakPolarHBondContact OD1-CA 3.43Å; D38-G41 PolarHBondContact OD1-N 3.26Å; G41-G43 PolarHBondContact O-N 3.37Å
42N89.4Confident93.9Very high52 Ų5247.6 Ų47.628%0.27827%0.272SS..SBendtrans-77.8-7.3-178.275.225.6000112.9D38 D40 Y44D38-N42 PolarHBondContact OD1-N 3.38Å; D38-N42 VanDerWaalsContact OD1-N 3.11Å; D40-N42 VanDerWaalsContact C-N 3.3Å; D40-N42 VanDerWaalsContact CG-ND2 3.29Å; D40-N42 WeakPolarHBondContact OD1-CB 3.38Å; D40-N42 PolarHBondContact OD1-N 3.16Å; D40-N42 PolarHBondContact OD1-ND2 3.38Å; D40-N42 PolarHBondContact OD2-ND2 3.36Å; N42-Y44 WeakPolarHBondContact O-CD2 3.48Å; N42-Y44 WeakPolarHBondContact OD1-CA 3.36Å; N42-Y44 WeakPolarHBondContact OD1-CB 3.33Å; N42-Y44 WeakPolarHBondContact OD1-CD2 3.18Å; N42-Y44 PolarHBondContact OD1-N 2.82Å; N42-Y44 PolarHBondContact OD1-O 2.96Å; N42-Y44 VanDerWaalsContact OD1-O 3.08Å
43G89.7Confident93.8Very high23 Ų2343.3 Ų43.324%0.23725%0.252CS..SBendtrans88.912.4179.500000114.4W34 D38 G41W34-G43 WeakPolarHBondContact CZ2-O 3.21Å; D38-G43 WeakPolarHBondContact OD2-CA 3.44Å; D38-G43 PolarHBondContact OD2-N 3.03Å; D38-G43 VanDerWaalsContact OD2-N 3.16Å; G41-G43 PolarHBondContact O-N 3.37Å
44Y94.1Very high93.6Very high80 Ų8043.4 Ų43.431%0.31425%0.253SS..EExtended strand (participates in β ladder)trans-139139.4178.1-56.7-88.8000109.9N42 R94 E96N42-Y44 WeakPolarHBondContact O-CD2 3.48Å; N42-Y44 WeakPolarHBondContact OD1-CA 3.36Å; N42-Y44 WeakPolarHBondContact OD1-CB 3.33Å; N42-Y44 WeakPolarHBondContact OD1-CD2 3.18Å; N42-Y44 PolarHBondContact OD1-N 2.82Å; N42-Y44 PolarHBondContact OD1-O 2.96Å; N42-Y44 VanDerWaalsContact OD1-O 3.08Å; Y44-R94 HydrophobicContact CD1-CB 3.99Å; Y44-R94 HydrophobicContact CG-CB 4.43Å; Y44-E96 HydrophobicContact CD1-CG 3.91Å; Y44-E96 HydrophobicContact CE1-CG 3.74Å
45I96Very high93.3Very high0 Ų047.8 Ų47.80%027%0.269CS..EExtended strand (participates in β ladder)trans-93.2106.5168-62.8170.1000107.4W34 D38 E49 L50 F53 I95 M100W34-I45 HydrophobicContact CE3-CD1 3.97Å; W34-I45 HydrophobicContact CH2-CG1 4.34Å; W34-I45 HydrophobicContact CZ3-CD1 3.89Å; W34-I45 HydrophobicContact CZ3-CG1 4.19Å; D38-I45 HydrophobicContact CB-CG1 4.33Å; I45-E49 HydrophobicContact CG2-CB 3.95Å; I45-L50 HydrophobicContact CG2-CB 4.14Å; I45-L50 HydrophobicContact CG2-CD1 4.45Å; I45-F53 HydrophobicContact CG2-CB 4.24Å; I45-I95 HydrophobicContact CB-CB 4.2Å; I45-I95 PolarHBondContact N-O 2.82Å; I45-I95 PolarHBondContact O-N 3.44Å; I45-M100 HydrophobicContact CD1-CE 3.2Å
46E95Very high93.1Very high56 Ų5644.9 Ų44.926%0.26225%0.253SS..EExtended strand (participates in β ladder)trans-136.6164.9-174.270.1171.5162.600114.4S48 E49 L50 R94E46-S48 PolarHBondContact O-N 2.95Å; E46-S48 VanDerWaalsContact O-N 3.1Å; E46-E49 PolarHBondContact N-OE2 3.26Å; E46-E49 VanDerWaalsContact O-CB 3.3Å; E46-E49 WeakPolarHBondContact O-CB 3.11Å; E46-E49 PolarHBondContact O-N 3.24Å; E46-L50 PolarHBondContact O-N 2.99Å; E46-R94 HydrophobicContact CB-CB 4.28Å; E46-R94 HydrophobicContact CB-CG 3.89Å; E46-R94 VanDerWaalsContact CD-NH2 3.34Å; E46-R94 IonicContact OE1-CZ 3.99Å; E46-R94 IonicContact OE1-NE 2.86Å; E46-R94 IonicContact OE1-NH2 3.25Å; E46-R94 PolarHBondContact OE1-NH2 3.4Å; E46-R94 IonicContact OE2-CZ 4Å; E46-R94 IonicContact OE2-NE 2.62Å; E46-R94 PolarHBondContact OE2-NE 2.87Å; E46-R94 IonicContact OE2-NH2 3.9Å; E46-R94 PolarHBondContact OE2-NH2 3.01Å
47G93.7Very high92.8Very high46 Ų4642.9 Ų42.947%0.47424%0.244SC..Hα-helixtrans52.6-118.7177.400000113.5E49 L50 D51G47-E49 VanDerWaalsContact C-N 3.32Å; G47-E49 PolarHBondContact O-N 2.82Å; G47-L50 PolarHBondContact O-N 3.43Å; G47-D51 PolarHBondContact O-N 2.74Å; G47-D51 VanDerWaalsContact O-N 3.13Å
48S93.6Very high92.3Very high95 Ų9543.1 Ų43.166%0.66425%0.245SC*.Hα-helixtrans-70.6-25-179.453.30000114.2E46 N52E46-S48 PolarHBondContact O-N 2.95Å; E46-S48 VanDerWaalsContact O-N 3.1Å; S48-N52 WeakPolarHBondContact O-CB 3.2Å; S48-N52 PolarHBondContact O-N 2.83Å
49E95.7Very high91.7Very high14 Ų1445.6 Ų45.67%0.06525%0.254CS..Hα-helixtrans-67.5-46.8175.9-64.4170.9150.600109.8Y37 I39 D40 I45 E46 G47 D51 N52 F53Y37-E49 VanDerWaalsContact O-CB 3.23Å; Y37-E49 WeakPolarHBondContact O-CB 3.42Å; Y37-E49 VanDerWaalsContact O-CG 3.26Å; Y37-E49 WeakPolarHBondContact O-CG 3.38Å; I39-E49 WeakPolarHBondContact CA-OE1 3.49Å; I39-E49 HydrophobicContact CB-CG 4.44Å; I39-E49 WeakPolarHBondContact CB-OE1 3.46Å; I39-E49 HydrophobicContact CD1-CG 4.29Å; I39-E49 HydrophobicContact CG1-CG 4.37Å; I39-E49 PolarHBondContact N-OE1 2.9Å; D40-E49 PolarHBondContact N-OE1 2.96Å; I45-E49 HydrophobicContact CG2-CB 3.95Å; E46-E49 PolarHBondContact N-OE2 3.26Å; E46-E49 VanDerWaalsContact O-CB 3.3Å; E46-E49 WeakPolarHBondContact O-CB 3.11Å; E46-E49 PolarHBondContact O-N 3.24Å; G47-E49 VanDerWaalsContact C-N 3.32Å; G47-E49 PolarHBondContact O-N 2.82Å; E49-D51 PolarHBondContact O-N 2.97Å; E49-N52 PolarHBondContact O-N 2.87Å; E49-F53 WeakPolarHBondContact O-CB 3.28Å; E49-F53 PolarHBondContact O-N 3.3Å
50L94.5Very high91.2Very high3 Ų339.7 Ų39.72%0.01622%0.224CC..Hα-helixtrans-59.6-45174.2-179.861.5000111.8I45 E46 G47 N52 F53 L54 M84 I95I45-L50 HydrophobicContact CG2-CB 4.14Å; I45-L50 HydrophobicContact CG2-CD1 4.45Å; E46-L50 PolarHBondContact O-N 2.99Å; G47-L50 PolarHBondContact O-N 3.43Å; L50-N52 VanDerWaalsContact C-N 3.27Å; L50-N52 PolarHBondContact O-N 3.03Å; L50-F53 HydrophobicContact CD1-CD1 4.43Å; L50-F53 PolarHBondContact O-N 2.91Å; L50-L54 HydrophobicContact CD1-CD1 3.81Å; L50-L54 HydrophobicContact CD1-CD2 4.41Å; L50-L54 HydrophobicContact CD1-CG 3.85Å; L50-L54 HydrophobicContact CG-CD1 3.85Å; L50-L54 HydrophobicContact CG-CG 4.3Å; L50-L54 WeakPolarHBondContact O-CB 3.5Å; L50-L54 VanDerWaalsContact O-CG 3.29Å; L50-L54 WeakPolarHBondContact O-CG 3.28Å; L50-L54 PolarHBondContact O-N 3.47Å; L50-M84 HydrophobicContact CD1-SD 3.99Å; L50-M84 HydrophobicContact CD2-CE 3.78Å; L50-M84 HydrophobicContact CD2-SD 3.7Å; L50-M84 HydrophobicContact CG-SD 4.4Å; L50-I95 HydrophobicContact CD1-CG1 3.7Å
51D91.2Very high90.7Very high70 Ų7036 Ų3637%0.37421%0.205SC..Hα-helixtrans-58.3-41.7175.9-71.1-24.6000112G47 E49 R55 K80G47-D51 PolarHBondContact O-N 2.74Å; G47-D51 VanDerWaalsContact O-N 3.13Å; E49-D51 PolarHBondContact O-N 2.97Å; D51-R55 VanDerWaalsContact O-CB 3.23Å; D51-R55 WeakPolarHBondContact O-CB 3.24Å; D51-R55 PolarHBondContact O-N 3.09Å; D51-R55 VanDerWaalsContact O-N 3.12Å; D51-K80 IonicContact OD1-NZ 2.85Å; D51-K80 PolarHBondContact OD1-NZ 3.04Å
52N92.5Very high90Very high39 Ų3937.9 Ų37.921%0.20920%0.203CC..Hα-helixtrans-69.1-46.2179.2-16759.7000111.6S48 E49 L50 R55 E56S48-N52 WeakPolarHBondContact O-CB 3.2Å; S48-N52 PolarHBondContact O-N 2.83Å; E49-N52 PolarHBondContact O-N 2.87Å; L50-N52 VanDerWaalsContact C-N 3.27Å; L50-N52 PolarHBondContact O-N 3.03Å; N52-R55 PolarHBondContact O-N 2.67Å; N52-R55 PolarHBondContact OD1-NH2 2.73Å; N52-E56 WeakPolarHBondContact O-CG 3.39Å; N52-E56 PolarHBondContact O-N 2.87Å
53F94.5Very high89.1Confident0 Ų037.4 Ų37.40%020%0.203CC..Hα-helixtrans-57.1-54.6176.4170.7-112.7000111.6L11 Y37 I45 E49 L50 R55 E56 F57 F83 M100 I103L11-F53 HydrophobicContact CD1-CD2 4.03Å; L11-F53 HydrophobicContact CD1-CE2 3.89Å; Y37-F53 HydrophobicContact CD1-CB 3.69Å; Y37-F53 HydrophobicContact CD1-CD2 4.33Å; Y37-F53 HydrophobicContact CD2-CB 4.38Å; Y37-F53 AromaticContact CD2-CD2 3.57Å; Y37-F53 HydrophobicContact CD2-CD2 3.57Å; Y37-F53 HydrophobicContact CD2-CE2 4.33Å; Y37-F53 HydrophobicContact CD2-CG 4.38Å; Y37-F53 VanDerWaalsContact CE1-CA 3.49Å; Y37-F53 HydrophobicContact CE1-CB 4.02Å; Y37-F53 HydrophobicContact CE1-CD2 4.34Å; Y37-F53 AromaticContact CE2-CD2 3.57Å; Y37-F53 HydrophobicContact CE2-CD2 3.57Å; Y37-F53 HydrophobicContact CE2-CE2 4.25Å; Y37-F53 HydrophobicContact CG-CB 3.91Å; Y37-F53 AromaticContact CG-CD2 3.98Å; Y37-F53 HydrophobicContact CG-CD2 3.98Å; Y37-F53 HydrophobicContact CG-CG 4.36Å; Y37-F53 AromaticContact CZ-CD2 3.98Å; I45-F53 HydrophobicContact CG2-CB 4.24Å; E49-F53 WeakPolarHBondContact O-CB 3.28Å; E49-F53 PolarHBondContact O-N 3.3Å; L50-F53 HydrophobicContact CD1-CD1 4.43Å; L50-F53 PolarHBondContact O-N 2.91Å; F53-R55 VanDerWaalsContact C-N 3.33Å; F53-R55 PolarHBondContact O-N 3.35Å; F53-E56 PolarHBondContact O-N 3.2Å; F53-E56 VanDerWaalsContact O-N 3.17Å; F53-F57 HydrophobicContact CZ-CD2 4.26Å; F53-F57 VanDerWaalsContact O-CB 3.28Å; F53-F57 WeakPolarHBondContact O-CB 3.34Å; F53-F57 PolarHBondContact O-N 2.96Å; F53-F83 HydrophobicContact CE1-CE1 4.3Å; F53-F83 AromaticContact CE1-CZ 3.86Å; F53-F83 HydrophobicContact CE1-CZ 3.86Å; F53-M100 HydrophobicContact CD2-CE 4.18Å; F53-M100 HydrophobicContact CE1-CE 4.41Å; F53-M100 HydrophobicContact CE1-SD 4.44Å; F53-M100 HydrophobicContact CE2-CE 3.7Å; F53-M100 HydrophobicContact CE2-SD 3.98Å; F53-M100 HydrophobicContact CZ-CE 3.83Å; F53-M100 HydrophobicContact CZ-SD 3.67Å; F53-I103 HydrophobicContact CE1-CD1 4.43Å; F53-I103 HydrophobicContact CE1-CG2 4.47Å; F53-I103 HydrophobicContact CZ-CG2 3.97Å
54L91.2Very high88Confident3 Ų342.5 Ų42.52%0.01622%0.221CC..Hα-helixtrans-61.3-43-177.9-70.2175000111.8L50 E56 F57 I58 K80 F83L50-L54 HydrophobicContact CD1-CD1 3.81Å; L50-L54 HydrophobicContact CD1-CD2 4.41Å; L50-L54 HydrophobicContact CD1-CG 3.85Å; L50-L54 HydrophobicContact CG-CD1 3.85Å; L50-L54 HydrophobicContact CG-CG 4.3Å; L50-L54 WeakPolarHBondContact O-CB 3.5Å; L50-L54 VanDerWaalsContact O-CG 3.29Å; L50-L54 WeakPolarHBondContact O-CG 3.28Å; L50-L54 PolarHBondContact O-N 3.47Å; L54-E56 PolarHBondContact O-N 3.34Å; L54-F57 PolarHBondContact O-N 2.9Å; L54-I58 VanDerWaalsContact O-CB 3.31Å; L54-I58 WeakPolarHBondContact O-CB 3.45Å; L54-I58 WeakPolarHBondContact O-CD1 3.36Å; L54-I58 WeakPolarHBondContact O-CG1 3.28Å; L54-I58 PolarHBondContact O-N 2.98Å; L54-K80 HydrophobicContact CD1-CB 3.83Å; L54-K80 HydrophobicContact CD1-CD 3.83Å; L54-K80 HydrophobicContact CD1-CG 3.46Å; L54-K80 VanDerWaalsContact CD1-CG 3.46Å; L54-F83 HydrophobicContact CD2-CB 4.08Å; L54-F83 HydrophobicContact CD2-CD1 3.34Å; L54-F83 HydrophobicContact CD2-CD2 3.66Å; L54-F83 HydrophobicContact CD2-CE1 3.49Å; L54-F83 VanDerWaalsContact CD2-CE1 3.49Å; L54-F83 HydrophobicContact CD2-CE2 3.8Å; L54-F83 HydrophobicContact CD2-CG 3.4Å; L54-F83 VanDerWaalsContact CD2-CG 3.4Å; L54-F83 HydrophobicContact CD2-CZ 3.7Å
55R88.7Confident86.8Confident99 Ų9945.8 Ų45.837%0.37424%0.239SC..Hα-helixtrans-56-54.6175.1-172.6-176.573.8-145.6-3.3109.7D51 N52 F53 F57 I58 Y59D51-R55 VanDerWaalsContact O-CB 3.23Å; D51-R55 WeakPolarHBondContact O-CB 3.24Å; D51-R55 PolarHBondContact O-N 3.09Å; D51-R55 VanDerWaalsContact O-N 3.12Å; N52-R55 PolarHBondContact O-N 2.67Å; N52-R55 PolarHBondContact OD1-NH2 2.73Å; F53-R55 VanDerWaalsContact C-N 3.33Å; F53-R55 PolarHBondContact O-N 3.35Å; R55-F57 VanDerWaalsContact C-N 3.35Å; R55-F57 PolarHBondContact O-N 2.83Å; R55-I58 PolarHBondContact O-N 3.37Å; R55-Y59 HydrophobicContact CG-CD2 3.71Å; R55-Y59 HydrophobicContact CG-CE2 3.67Å; R55-Y59 WeakPolarHBondContact O-CD2 3.16Å; R55-Y59 PolarHBondContact O-N 3.09Å
56E90.6Very high85.4Confident9 Ų947.4 Ų47.44%0.04225%0.248CC..Hα-helixtrans-65.7-36.4-177.2-72.5-170.3-174.500113.3N9 F10 L11 Y37 N52 F53 L54 S60N9-E56 HydrophobicContact CB-CG 4.47Å; N9-E56 PolarHBondContact ND2-O 3.08Å; N9-E56 WeakPolarHBondContact OD1-CB 3.41Å; N9-E56 PolarHBondContact OD1-O 3.17Å; F10-E56 WeakPolarHBondContact CB-OE2 3.37Å; F10-E56 PolarHBondContact N-OE2 2.89Å; L11-E56 HydrophobicContact CD1-CB 4.3Å; Y37-E56 WeakPolarHBondContact OH-CB 3.18Å; Y37-E56 PolarHBondContact OH-OE2 3.11Å; N52-E56 WeakPolarHBondContact O-CG 3.39Å; N52-E56 PolarHBondContact O-N 2.87Å; F53-E56 PolarHBondContact O-N 3.2Å; F53-E56 VanDerWaalsContact O-N 3.17Å; L54-E56 PolarHBondContact O-N 3.34Å; E56-S60 VanDerWaalsContact O-CB 3.26Å; E56-S60 WeakPolarHBondContact O-CB 3.21Å; E56-S60 PolarHBondContact O-N 3.23Å; E56-S60 PolarHBondContact O-OG 2.84Å
57F90.2Very high84.2Confident31 Ų3147.3 Ų47.314%0.13626%0.261CS..Hα-helixtrans-62.9-52.8174.9-177.5-93.5000111.3L11 L22 F53 L54 R55 Y59 S60 V61 F83 I103L11-F57 HydrophobicContact CD1-CB 3.82Å; L11-F57 HydrophobicContact CD1-CD2 4.24Å; L22-F57 HydrophobicContact CD1-CD2 3.99Å; L22-F57 HydrophobicContact CD1-CE2 3.65Å; F53-F57 HydrophobicContact CZ-CD2 4.26Å; F53-F57 VanDerWaalsContact O-CB 3.28Å; F53-F57 WeakPolarHBondContact O-CB 3.34Å; F53-F57 PolarHBondContact O-N 2.96Å; L54-F57 PolarHBondContact O-N 2.9Å; R55-F57 VanDerWaalsContact C-N 3.35Å; R55-F57 PolarHBondContact O-N 2.83Å; F57-Y59 PolarHBondContact O-N 3.45Å; F57-S60 WeakPolarHBondContact O-CB 3.37Å; F57-S60 PolarHBondContact O-N 2.96Å; F57-V61 HydrophobicContact CD1-CG2 4.38Å; F57-V61 HydrophobicContact CE1-CG2 4.06Å; F57-V61 HydrophobicContact CE2-CG2 4.32Å; F57-V61 HydrophobicContact CZ-CG2 4.03Å; F57-V61 WeakPolarHBondContact O-CG2 3.23Å; F57-V61 PolarHBondContact O-N 3.15Å; F57-F83 AromaticContact CD1-CE2 3.97Å; F57-F83 HydrophobicContact CD1-CE2 3.97Å; F57-F83 AromaticContact CE1-CE2 3.86Å; F57-F83 HydrophobicContact CE1-CE2 3.86Å; F57-F83 HydrophobicContact CZ-CE2 4.47Å; F57-I103 HydrophobicContact CD2-CG2 4.35Å; F57-I103 HydrophobicContact CE2-CG2 3.78Å; F57-I103 HydrophobicContact CZ-CG2 4.06Å
58I85.5Confident82.9Confident7 Ų752.9 Ų52.94%0.03628%0.28CS..Hα-helixtrans-60.5-48.9179.9-67.6166.4000110.2L54 R55 S60 V61 F62 I71 L76 M79L54-I58 VanDerWaalsContact O-CB 3.31Å; L54-I58 WeakPolarHBondContact O-CB 3.45Å; L54-I58 WeakPolarHBondContact O-CD1 3.36Å; L54-I58 WeakPolarHBondContact O-CG1 3.28Å; L54-I58 PolarHBondContact O-N 2.98Å; R55-I58 PolarHBondContact O-N 3.37Å; I58-S60 PolarHBondContact O-N 2.74Å; I58-V61 PolarHBondContact O-N 3.09Å; I58-F62 HydrophobicContact CB-CD2 4.37Å; I58-F62 HydrophobicContact CG2-CD2 3.75Å; I58-F62 HydrophobicContact CG2-CE2 4.4Å; I58-F62 WeakPolarHBondContact O-CB 3.25Å; I58-F62 WeakPolarHBondContact O-CD2 3.16Å; I58-F62 PolarHBondContact O-N 3.2Å; I58-I71 HydrophobicContact CG2-CD1 3.41Å; I58-I71 VanDerWaalsContact CG2-CD1 3.41Å; I58-L76 HydrophobicContact CD1-CD1 3.76Å; I58-M79 HydrophobicContact CD1-CB 3.82Å; I58-M79 HydrophobicContact CD1-SD 4.13Å; I58-M79 HydrophobicContact CG2-SD 3.86Å
59Y83.5Confident81.7Confident64 Ų6455.7 Ų55.725%0.25128%0.283SS..Hα-helixtrans-64.2-27.8177.1-81.2-74.5000112.6R55 F57 S63 L66 T70 I71R55-Y59 HydrophobicContact CG-CD2 3.71Å; R55-Y59 HydrophobicContact CG-CE2 3.67Å; R55-Y59 WeakPolarHBondContact O-CD2 3.16Å; R55-Y59 PolarHBondContact O-N 3.09Å; F57-Y59 PolarHBondContact O-N 3.45Å; Y59-S63 WeakPolarHBondContact O-CA 3.02Å; Y59-S63 WeakPolarHBondContact O-CB 3.18Å; Y59-S63 PolarHBondContact O-N 3.26Å; Y59-S63 PolarHBondContact O-OG 2.79Å; Y59-L66 HydrophobicContact CD1-CD1 4.09Å; Y59-L66 HydrophobicContact CE1-CD1 4.25Å; Y59-T70 WeakPolarHBondContact OH-CA 3.34Å; Y59-I71 HydrophobicContact CD1-CD1 4.47Å; Y59-I71 HydrophobicContact CD2-CD1 4.36Å; Y59-I71 HydrophobicContact CE1-CD1 4.08Å; Y59-I71 HydrophobicContact CE1-CG1 3.97Å; Y59-I71 HydrophobicContact CE2-CD1 3.92Å; Y59-I71 HydrophobicContact CE2-CG1 4.35Å; Y59-I71 PolarHBondContact OH-N 2.87Å
60S83.6Confident80.7Confident2 Ų260.5 Ų60.51%0.01431%0.314CS..Hα-helixtrans-72.2-45.5176.3-64.40000111.7N9 L11 S12 K15 E56 F57 I58 S63N9-S60 PolarHBondContact ND2-OG 2.57Å; N9-S60 PolarHBondContact OD1-OG 2.83Å; N9-S60 VanDerWaalsContact OD1-OG 3.14Å; L11-S60 WeakPolarHBondContact CB-OG 3.48Å; S12-S60 PolarHBondContact N-OG 3.03Å; K15-S60 WeakPolarHBondContact CD-O 3.4Å; K15-S60 WeakPolarHBondContact CE-O 3.22Å; E56-S60 VanDerWaalsContact O-CB 3.26Å; E56-S60 WeakPolarHBondContact O-CB 3.21Å; E56-S60 PolarHBondContact O-N 3.23Å; E56-S60 PolarHBondContact O-OG 2.84Å; F57-S60 WeakPolarHBondContact O-CB 3.37Å; F57-S60 PolarHBondContact O-N 2.96Å; I58-S60 PolarHBondContact O-N 2.74Å; S60-S63 PolarHBondContact O-OG 3.31Å; S60-S63 VanDerWaalsContact O-OG 3.09Å
61V80.5Confident79.9Confident26 Ų2661 Ų6116%0.15832%0.316CS..Hα-helixtrans-75-43.8-177.5176.70000111.6F57 I58F57-V61 HydrophobicContact CD1-CG2 4.38Å; F57-V61 HydrophobicContact CE1-CG2 4.06Å; F57-V61 HydrophobicContact CE2-CG2 4.32Å; F57-V61 HydrophobicContact CZ-CG2 4.03Å; F57-V61 WeakPolarHBondContact O-CG2 3.23Å; F57-V61 PolarHBondContact O-N 3.15Å; I58-V61 PolarHBondContact O-N 3.09Å
62F76.4Confident79.5Confident77 Ų7760.7 Ų60.734%0.33832%0.318SS..SBendtrans-99.910.3-173.9-59.7-77.9000114.3I58 E64 E65 L66I58-F62 HydrophobicContact CB-CD2 4.37Å; I58-F62 HydrophobicContact CG2-CD2 3.75Å; I58-F62 HydrophobicContact CG2-CE2 4.4Å; I58-F62 WeakPolarHBondContact O-CB 3.25Å; I58-F62 WeakPolarHBondContact O-CD2 3.16Å; I58-F62 PolarHBondContact O-N 3.2Å; F62-E64 PolarHBondContact O-N 3.3Å; F62-E64 VanDerWaalsContact O-N 3.09Å; F62-E65 WeakPolarHBondContact CD1-OE2 3.42Å; F62-E65 PolarHBondContact O-N 3.16Å; F62-L66 HydrophobicContact CB-CD1 3.76Å; F62-L66 HydrophobicContact CB-CG 4.23Å; F62-L66 WeakPolarHBondContact O-CG 3.49Å; F62-L66 PolarHBondContact O-N 2.9Å
63S71.3Confident79.1Confident41 Ų4163.2 Ų63.229%0.28734%0.338SS..Hα-helixtrans-51.3-35.7-177.435.60000114.7K15 Y59 S60 G67K15-S63 PolarHBondContact NZ-OG 2.88Å; Y59-S63 WeakPolarHBondContact O-CA 3.02Å; Y59-S63 WeakPolarHBondContact O-CB 3.18Å; Y59-S63 PolarHBondContact O-N 3.26Å; Y59-S63 PolarHBondContact O-OG 2.79Å; S60-S63 PolarHBondContact O-OG 3.31Å; S60-S63 VanDerWaalsContact O-OG 3.09Å; S63-G67 PolarHBondContact O-N 3.3Å
64E66.4Low78.7Confident131 Ų13169.3 Ų69.361%0.61237%0.371SS*.Hα-helixtrans-73.8-33.8179.9-71.1-174.7176.300113.2K15 N20 F62K15-E64 IonicContact NZ-OE1 2.72Å; N20-E64 PolarHBondContact ND2-OE2 2.97Å; N20-E64 WeakPolarHBondContact OD1-CG 3.28Å; N20-E64 PolarHBondContact OD1-OE2 3.37Å; F62-E64 PolarHBondContact O-N 3.3Å; F62-E64 VanDerWaalsContact O-N 3.09Å
65E68.8Low78.4Confident149 Ų14973.4 Ų73.470%0.69639%0.39SS*.Hα-helixtrans-78.1-34.5179.7-66.8176.7179.400111.3F62F62-E65 WeakPolarHBondContact CD1-OE2 3.42Å; F62-E65 PolarHBondContact O-N 3.16Å
66L66.2Low78.2Confident34 Ų3470.7 Ų70.718%0.17838%0.383CS..Hα-helixtrans-84.3-25.4-179.4-66.2166000113.2Y59 F62 N68 E69 I71Y59-L66 HydrophobicContact CD1-CD1 4.09Å; Y59-L66 HydrophobicContact CE1-CD1 4.25Å; F62-L66 HydrophobicContact CB-CD1 3.76Å; F62-L66 HydrophobicContact CB-CG 4.23Å; F62-L66 WeakPolarHBondContact O-CG 3.49Å; F62-L66 PolarHBondContact O-N 2.9Å; L66-N68 PolarHBondContact O-N 3.18Å; L66-E69 WeakPolarHBondContact O-CB 3.41Å; L66-E69 PolarHBondContact O-N 3.47Å; L66-I71 HydrophobicContact CD1-CD1 3.59Å; L66-I71 HydrophobicContact CD1-CG1 3.65Å; L66-I71 HydrophobicContact CD2-CD1 4.41Å; L66-I71 HydrophobicContact CD2-CG1 3.67Å; L66-I71 HydrophobicContact CG-CG1 4.3Å
67G69Low78Confident53 Ų5375.1 Ų75.155%0.54640%0.403SS..THydrogen-bonded Turntrans57.1-119-175.200000112.5S63S63-G67 PolarHBondContact O-N 3.3Å
68N67Low78Confident164 Ų16478.2 Ų78.288%0.87742%0.421SS*.THydrogen-bonded Turntrans-101.94.5175.5-82.9-32.1000112.8L66L66-N68 PolarHBondContact O-N 3.18Å
69E68.3Low78.1Confident153 Ų15380.2 Ų80.272%0.71543%0.431SS*.PPolyproline II helixtrans-77.4138.5-178.6-61.1-168.7160.600110.2L66L66-E69 WeakPolarHBondContact O-CB 3.41Å; L66-E69 PolarHBondContact O-N 3.47Å
70T75.6Confident78.4Confident116 Ų11679.3 Ų79.371%0.71243%0.428SS*.PPolyproline II helixtrans-81.8127171.749.20000108.3Y59 P72Y59-T70 WeakPolarHBondContact OH-CA 3.34Å; T70-P72 WeakPolarHBondContact O-CD 3.4Å
71I77Confident78.7Confident13 Ų1385.2 Ų85.27%0.06745%0.453CS..PPolyproline II helixtrans-56.2124.9172.2-54.4169.4000108.4I58 Y59 L66 E75 L76I58-I71 HydrophobicContact CG2-CD1 3.41Å; I58-I71 VanDerWaalsContact CG2-CD1 3.41Å; Y59-I71 HydrophobicContact CD1-CD1 4.47Å; Y59-I71 HydrophobicContact CD2-CD1 4.36Å; Y59-I71 HydrophobicContact CE1-CD1 4.08Å; Y59-I71 HydrophobicContact CE1-CG1 3.97Å; Y59-I71 HydrophobicContact CE2-CD1 3.92Å; Y59-I71 HydrophobicContact CE2-CG1 4.35Å; Y59-I71 PolarHBondContact OH-N 2.87Å; L66-I71 HydrophobicContact CD1-CD1 3.59Å; L66-I71 HydrophobicContact CD1-CG1 3.65Å; L66-I71 HydrophobicContact CD2-CD1 4.41Å; L66-I71 HydrophobicContact CD2-CG1 3.67Å; L66-I71 HydrophobicContact CG-CG1 4.3Å; I71-E75 HydrophobicContact CG2-CB 4.01Å; I71-E75 HydrophobicContact CG2-CG 4.11Å; I71-L76 HydrophobicContact CG2-CB 4.11Å
72P83.5Confident79.2Confident63 Ų6389.1 Ų89.141%0.40947%0.47SS..PPolyproline II helixtrans-53.2144.4172-25.534.8000111.9T70 D74 E75 L76T70-P72 WeakPolarHBondContact O-CD 3.4Å; P72-D74 WeakPolarHBondContact CB-OD1 3.2Å; P72-D74 PolarHBondContact O-N 3.05Å; P72-E75 HydrophobicContact CB-CB 4.33Å; P72-E75 WeakPolarHBondContact CD-OE2 2.83Å; P72-E75 PolarHBondContact O-N 3.16Å; P72-E75 VanDerWaalsContact O-N 3.14Å; P72-L76 PolarHBondContact O-N 3.03Å
73S83Confident80Confident92 Ų9286.3 Ų86.364%0.64346%0.458SS*.Hα-helixtrans-60.5-34.6-175-172.10000113.2E77S73-E77 WeakPolarHBondContact O-CG 3.45Å; S73-E77 PolarHBondContact O-N 3.26Å; S73-E77 VanDerWaalsContact O-N 3.16Å
74D86.1Confident81Confident128 Ų12885.1 Ų85.168%0.68445%0.448SS*.Hα-helixtrans-69.8-36.4177.952.7-41.1000112.6P72 L78P72-D74 WeakPolarHBondContact CB-OD1 3.2Å; P72-D74 PolarHBondContact O-N 3.05Å; D74-L78 PolarHBondContact O-N 3.18Å
75E86Confident82.3Confident90 Ų9085.4 Ų85.442%0.42145%0.449SS..Hα-helixtrans-72.2-40175.2-172.8169.6-161.600111.6I71 P72 E77 L78 M79I71-E75 HydrophobicContact CG2-CB 4.01Å; I71-E75 HydrophobicContact CG2-CG 4.11Å; P72-E75 HydrophobicContact CB-CB 4.33Å; P72-E75 WeakPolarHBondContact CD-OE2 2.83Å; P72-E75 PolarHBondContact O-N 3.16Å; P72-E75 VanDerWaalsContact O-N 3.14Å; E75-E77 VanDerWaalsContact C-N 3.3Å; E75-E77 PolarHBondContact O-N 2.87Å; E75-L78 PolarHBondContact O-N 2.91Å; E75-M79 HydrophobicContact CG-CE 3.95Å; E75-M79 WeakPolarHBondContact O-CG 3.48Å; E75-M79 PolarHBondContact O-N 2.82Å
76L83.2Confident83.5Confident42 Ų4282.9 Ų82.922%0.2244%0.444CS..Hα-helixtrans-60.5-40.3174.7-175.764.9000111.7I58 I71 P72 M79 K80I58-L76 HydrophobicContact CD1-CD1 3.76Å; I71-L76 HydrophobicContact CG2-CB 4.11Å; P72-L76 PolarHBondContact O-N 3.03Å; L76-M79 PolarHBondContact O-N 2.66Å; L76-K80 WeakPolarHBondContact O-CB 3.2Å; L76-K80 PolarHBondContact O-N 3.07Å
77E87.2Confident84.7Confident101 Ų10183.8 Ų83.847%0.47245%0.447SS..Hα-helixtrans-68.8-34.5176.8-73-60.9-179.900113.1S73 E75 K81S73-E77 WeakPolarHBondContact O-CG 3.45Å; S73-E77 PolarHBondContact O-N 3.26Å; S73-E77 VanDerWaalsContact O-N 3.16Å; E75-E77 VanDerWaalsContact C-N 3.3Å; E75-E77 PolarHBondContact O-N 2.87Å; E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 PolarHBondContact O-N 3.09Å
78L89.6Confident85.8Confident97 Ų9781.7 Ų81.751%0.50842%0.423SS..Hα-helixtrans-65.1-46.4173-176.363.9000110.9D74 E75 K80 K81 E82D74-L78 PolarHBondContact O-N 3.18Å; E75-L78 PolarHBondContact O-N 2.91Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 2.78Å; L78-K81 WeakPolarHBondContact O-CB 3.33Å; L78-K81 PolarHBondContact O-N 2.74Å; L78-K81 VanDerWaalsContact O-N 3.15Å; L78-E82 PolarHBondContact O-N 3.4Å
79M88.1Confident86.8Confident49 Ų4980.1 Ų80.124%0.24141%0.411CS..Hα-helixtrans-61.2-42176.6-70.6178.1175.100111.8I58 E75 L76 K81 E82 F83I58-M79 HydrophobicContact CD1-CB 3.82Å; I58-M79 HydrophobicContact CD1-SD 4.13Å; I58-M79 HydrophobicContact CG2-SD 3.86Å; E75-M79 HydrophobicContact CG-CE 3.95Å; E75-M79 WeakPolarHBondContact O-CG 3.48Å; E75-M79 PolarHBondContact O-N 2.82Å; L76-M79 PolarHBondContact O-N 2.66Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 3.45Å; M79-E82 PolarHBondContact O-N 3.09Å; M79-F83 VanDerWaalsContact O-CB 3.25Å; M79-F83 WeakPolarHBondContact O-CB 3.45Å; M79-F83 PolarHBondContact O-N 3.41Å
80K89.2Confident87.8Confident45 Ų4576.5 Ų76.520%0.19640%0.396CS..Hα-helixtrans-57.9-46.4173.7170.1167.6-177.5-1700111D51 L54 L76 L78 F83 M84D51-K80 IonicContact OD1-NZ 2.85Å; D51-K80 PolarHBondContact OD1-NZ 3.04Å; L54-K80 HydrophobicContact CD1-CB 3.83Å; L54-K80 HydrophobicContact CD1-CD 3.83Å; L54-K80 HydrophobicContact CD1-CG 3.46Å; L54-K80 VanDerWaalsContact CD1-CG 3.46Å; L76-K80 WeakPolarHBondContact O-CB 3.2Å; L76-K80 PolarHBondContact O-N 3.07Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 2.78Å; K80-F83 WeakPolarHBondContact O-CB 3.18Å; K80-F83 PolarHBondContact O-N 2.86Å; K80-M84 HydrophobicContact CG-CG 4.5Å; K80-M84 WeakPolarHBondContact O-CG 3.46Å; K80-M84 PolarHBondContact O-N 3.48Å
81K90.7Very high88.6Confident125 Ų12575.4 Ų75.454%0.54339%0.393SS..Hα-helixtrans-62-47.3179.1-174.3-179.3170.3-170.70112.1E77 L78 M79 F83 M84 E85E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 PolarHBondContact O-N 3.09Å; L78-K81 WeakPolarHBondContact O-CB 3.33Å; L78-K81 PolarHBondContact O-N 2.74Å; L78-K81 VanDerWaalsContact O-N 3.15Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 3.45Å; K81-F83 VanDerWaalsContact C-N 3.29Å; K81-F83 PolarHBondContact O-N 3.22Å; K81-M84 PolarHBondContact O-N 2.91Å; K81-E85 WeakPolarHBondContact CE-OE1 3.4Å; K81-E85 IonicContact NZ-OE1 2.82Å; K81-E85 WeakPolarHBondContact O-CB 3.24Å; K81-E85 WeakPolarHBondContact O-CG 3.26Å; K81-E85 PolarHBondContact O-N 3.37Å
82E91.8Very high89.3Confident109 Ų10977.5 Ų77.551%0.50940%0.404SS..Hα-helixtrans-63.3-36.8177.5-69.9-178.1169.300112.1L78 M79 T86L78-E82 PolarHBondContact O-N 3.4Å; M79-E82 PolarHBondContact O-N 3.09Å; E82-T86 PolarHBondContact O-N 3.06Å; E82-T86 PolarHBondContact O-OG1 3.29Å
83F91.8Very high89.8Confident18 Ų1879.9 Ų79.98%0.07941%0.414CS..Hα-helixtrans-62-50.8174.9-171.7-78.5000111.4F53 L54 F57 M79 K80 K81 E85 T86 F87 I95 I103F53-F83 HydrophobicContact CE1-CE1 4.3Å; F53-F83 AromaticContact CE1-CZ 3.86Å; F53-F83 HydrophobicContact CE1-CZ 3.86Å; L54-F83 HydrophobicContact CD2-CB 4.08Å; L54-F83 HydrophobicContact CD2-CD1 3.34Å; L54-F83 HydrophobicContact CD2-CD2 3.66Å; L54-F83 HydrophobicContact CD2-CE1 3.49Å; L54-F83 VanDerWaalsContact CD2-CE1 3.49Å; L54-F83 HydrophobicContact CD2-CE2 3.8Å; L54-F83 HydrophobicContact CD2-CG 3.4Å; L54-F83 VanDerWaalsContact CD2-CG 3.4Å; L54-F83 HydrophobicContact CD2-CZ 3.7Å; F57-F83 AromaticContact CD1-CE2 3.97Å; F57-F83 HydrophobicContact CD1-CE2 3.97Å; F57-F83 AromaticContact CE1-CE2 3.86Å; F57-F83 HydrophobicContact CE1-CE2 3.86Å; F57-F83 HydrophobicContact CZ-CE2 4.47Å; M79-F83 VanDerWaalsContact O-CB 3.25Å; M79-F83 WeakPolarHBondContact O-CB 3.45Å; M79-F83 PolarHBondContact O-N 3.41Å; K80-F83 WeakPolarHBondContact O-CB 3.18Å; K80-F83 PolarHBondContact O-N 2.86Å; K81-F83 VanDerWaalsContact C-N 3.29Å; K81-F83 PolarHBondContact O-N 3.22Å; F83-E85 PolarHBondContact O-N 2.88Å; F83-T86 WeakPolarHBondContact O-CB 3.35Å; F83-T86 PolarHBondContact O-N 3.27Å; F83-F87 AromaticContact CD1-CD2 3.9Å; F83-F87 HydrophobicContact CD1-CD2 3.9Å; F83-F87 HydrophobicContact CD2-CD2 4.01Å; F83-F87 HydrophobicContact CD2-CE2 4.06Å; F83-F87 HydrophobicContact CE1-CB 4.29Å; F83-F87 AromaticContact CE1-CD2 3.78Å; F83-F87 HydrophobicContact CE1-CD2 3.78Å; F83-F87 HydrophobicContact CE1-CG 4.37Å; F83-F87 AromaticContact CE2-CD2 3.89Å; F83-F87 HydrophobicContact CE2-CD2 3.89Å; F83-F87 AromaticContact CE2-CE2 3.88Å; F83-F87 HydrophobicContact CE2-CE2 3.88Å; F83-F87 HydrophobicContact CG-CD2 4.03Å; F83-F87 AromaticContact CZ-CD2 3.78Å; F83-F87 HydrophobicContact CZ-CD2 3.78Å; F83-F87 HydrophobicContact CZ-CE2 4.16Å; F83-F87 WeakPolarHBondContact O-CD2 3.48Å; F83-F87 PolarHBondContact O-N 3.39Å; F83-I95 HydrophobicContact CE1-CD1 4.22Å; F83-I103 HydrophobicContact CE1-CD1 3.75Å; F83-I103 HydrophobicContact CE1-CG1 4.33Å; F83-I103 HydrophobicContact CE2-CG2 4.28Å; F83-I103 HydrophobicContact CZ-CD1 3.62Å; F83-I103 HydrophobicContact CZ-CG1 3.86Å; F83-I103 HydrophobicContact CZ-CG2 3.83Å
84M93.4Very high90.4Very high16 Ų1679.3 Ų79.38%0.07940%0.397CS..Hα-helixtrans-63.6-41.7178.9-63.5-52.4-73.800111.2L50 K80 K81 T86 F87 D88 I95L50-M84 HydrophobicContact CD1-SD 3.99Å; L50-M84 HydrophobicContact CD2-CE 3.78Å; L50-M84 HydrophobicContact CD2-SD 3.7Å; L50-M84 HydrophobicContact CG-SD 4.4Å; K80-M84 HydrophobicContact CG-CG 4.5Å; K80-M84 WeakPolarHBondContact O-CG 3.46Å; K80-M84 PolarHBondContact O-N 3.48Å; K81-M84 PolarHBondContact O-N 2.91Å; M84-T86 PolarHBondContact O-N 3.04Å; M84-F87 PolarHBondContact O-N 3.2Å; M84-D88 HydrophobicContact CB-CB 4.36Å; M84-D88 HydrophobicContact CE-CB 3.52Å; M84-D88 WeakPolarHBondContact CE-OD2 3.44Å; M84-D88 WeakPolarHBondContact O-CB 3.35Å; M84-D88 PolarHBondContact O-N 3.45Å; M84-D88 HydrophobicContact SD-CB 4.43Å; M84-I95 HydrophobicContact CE-CD1 3.98Å; M84-I95 HydrophobicContact CE-CG1 4.36Å; M84-I95 HydrophobicContact SD-CD1 3.89Å; M84-I95 HydrophobicContact SD-CG1 4.32Å
85E93.5Very high90.8Very high137 Ų13773.2 Ų73.264%0.6437%0.365SS*.Hα-helixtrans-59.6-22174.5-75178.4178.300113.6K81 F83K81-E85 WeakPolarHBondContact CE-OE1 3.4Å; K81-E85 IonicContact NZ-OE1 2.82Å; K81-E85 WeakPolarHBondContact O-CB 3.24Å; K81-E85 WeakPolarHBondContact O-CG 3.26Å; K81-E85 PolarHBondContact O-N 3.37Å; F83-E85 PolarHBondContact O-N 2.88Å
86T92.6Very high91.1Very high96 Ų9669.9 Ų69.959%0.58935%0.349SS*.Hα-helixtrans-92.1-39.7-179.5-56.20000112.9E82 F83 M84E82-T86 PolarHBondContact O-N 3.06Å; E82-T86 PolarHBondContact O-OG1 3.29Å; F83-T86 WeakPolarHBondContact O-CB 3.35Å; F83-T86 PolarHBondContact O-N 3.27Å; M84-T86 PolarHBondContact O-N 3.04Å
87F92Very high91.5Very high52 Ų5268.8 Ų68.823%0.22834%0.343CS..Hα-helixtrans-114.7-25.7-167.7-65.1-71000115F83 M84 E89 E99 K102 I103F83-F87 AromaticContact CD1-CD2 3.9Å; F83-F87 HydrophobicContact CD1-CD2 3.9Å; F83-F87 HydrophobicContact CD2-CD2 4.01Å; F83-F87 HydrophobicContact CD2-CE2 4.06Å; F83-F87 HydrophobicContact CE1-CB 4.29Å; F83-F87 AromaticContact CE1-CD2 3.78Å; F83-F87 HydrophobicContact CE1-CD2 3.78Å; F83-F87 HydrophobicContact CE1-CG 4.37Å; F83-F87 AromaticContact CE2-CD2 3.89Å; F83-F87 HydrophobicContact CE2-CD2 3.89Å; F83-F87 AromaticContact CE2-CE2 3.88Å; F83-F87 HydrophobicContact CE2-CE2 3.88Å; F83-F87 HydrophobicContact CG-CD2 4.03Å; F83-F87 AromaticContact CZ-CD2 3.78Å; F83-F87 HydrophobicContact CZ-CD2 3.78Å; F83-F87 HydrophobicContact CZ-CE2 4.16Å; F83-F87 WeakPolarHBondContact O-CD2 3.48Å; F83-F87 PolarHBondContact O-N 3.39Å; M84-F87 PolarHBondContact O-N 3.2Å; F87-E89 PolarHBondContact O-N 2.9Å; F87-E99 VanDerWaalsContact O-CG 3.25Å; F87-E99 WeakPolarHBondContact O-CG 3.45Å; F87-K102 HydrophobicContact CD1-CB 4.36Å; F87-I103 HydrophobicContact CB-CD1 4.08Å; F87-I103 HydrophobicContact CB-CG1 4.06Å; F87-I103 HydrophobicContact CD1-CD1 4.48Å; F87-I103 HydrophobicContact CD1-CG1 3.56Å; F87-I103 HydrophobicContact CD2-CG1 4Å; F87-I103 HydrophobicContact CE1-CG1 3.91Å; F87-I103 HydrophobicContact CE2-CG1 4.32Å; F87-I103 HydrophobicContact CG-CD1 4.15Å; F87-I103 HydrophobicContact CG-CG1 3.61Å; F87-I103 HydrophobicContact CZ-CG1 4.28Å
88D92.8Very high91.6Very high10 Ų1065.2 Ų65.25%0.05333%0.328CS..  trans-83.992.9174.7170.66.3000108.7M84 N90 S91 D92 N93 E99M84-D88 HydrophobicContact CB-CB 4.36Å; M84-D88 HydrophobicContact CE-CB 3.52Å; M84-D88 WeakPolarHBondContact CE-OD2 3.44Å; M84-D88 WeakPolarHBondContact O-CB 3.35Å; M84-D88 PolarHBondContact O-N 3.45Å; M84-D88 HydrophobicContact SD-CB 4.43Å; D88-N90 PolarHBondContact OD1-N 2.88Å; D88-N90 PolarHBondContact OD1-OD1 3.11Å; D88-S91 WeakPolarHBondContact OD1-CA 3.03Å; D88-S91 PolarHBondContact OD1-N 2.85Å; D88-S91 WeakPolarHBondContact OD2-CA 3.29Å; D88-D92 PolarHBondContact OD1-N 3.14Å; D88-D92 PolarHBondContact OD2-N 3.21Å; D88-N93 VanDerWaalsContact OD2-CA 3.26Å; D88-N93 WeakPolarHBondContact OD2-CA 3.37Å; D88-N93 PolarHBondContact OD2-N 3.13Å; D88-E99 WeakPolarHBondContact CA-OE1 3.38Å
89E88.6Confident91.7Very high131 Ų13160.8 Ų60.861%0.61231%0.305SS*.SBendtrans-76.4-28.7-171.4-69.4-174.4159.700112.4F87 E99 K102F87-E89 PolarHBondContact O-N 2.9Å; E89-E99 PolarHBondContact N-OE1 3.49Å; E89-K102 IonicContact OE1-NZ 3.8Å; E89-K102 PolarHBondContact OE1-NZ 2.85Å; E89-K102 IonicContact OE2-NZ 3.88Å; E89-K102 PolarHBondContact OE2-NZ 3.29Å
90N88.9Confident91.9Very high77 Ų7758.4 Ų58.441%0.41229%0.294SS..SBendtrans-92.7-9.1-177.777.513.2000112.2D88 D92 E96D88-N90 PolarHBondContact OD1-N 2.88Å; D88-N90 PolarHBondContact OD1-OD1 3.11Å; N90-D92 VanDerWaalsContact C-N 3.29Å; N90-D92 PolarHBondContact ND2-OD2 2.8Å; N90-D92 PolarHBondContact O-N 3.37Å; N90-D92 WeakPolarHBondContact OD1-CB 3.38Å; N90-D92 PolarHBondContact OD1-N 3.48Å; N90-D92 PolarHBondContact OD1-OD1 2.93Å; N90-D92 VanDerWaalsContact OD1-OD1 3.09Å; N90-D92 PolarHBondContact OD1-OD2 3.43Å; N90-E96 PolarHBondContact ND2-OE1 3.16Å
91S91.7Very high92Very high93 Ų9356.7 Ų56.765%0.6529%0.288SS*.  trans58.533.3-179-56.20000114.1D88 N93D88-S91 WeakPolarHBondContact OD1-CA 3.03Å; D88-S91 PolarHBondContact OD1-N 2.85Å; D88-S91 WeakPolarHBondContact OD2-CA 3.29Å; S91-N93 VanDerWaalsContact C-N 3.32Å
92D92.9Very high91.9Very high56 Ų5655.3 Ų55.330%0.29928%0.282SS..SBendtrans-86.4-2.8177.274.95.4000113.4D88 N90 R94D88-D92 PolarHBondContact OD1-N 3.14Å; D88-D92 PolarHBondContact OD2-N 3.21Å; N90-D92 VanDerWaalsContact C-N 3.29Å; N90-D92 PolarHBondContact ND2-OD2 2.8Å; N90-D92 PolarHBondContact O-N 3.37Å; N90-D92 WeakPolarHBondContact OD1-CB 3.38Å; N90-D92 PolarHBondContact OD1-N 3.48Å; N90-D92 PolarHBondContact OD1-OD1 2.93Å; N90-D92 VanDerWaalsContact OD1-OD1 3.09Å; N90-D92 PolarHBondContact OD1-OD2 3.43Å; D92-R94 VanDerWaalsContact C-N 3.32Å; D92-R94 WeakPolarHBondContact OD1-CA 3.5Å; D92-R94 WeakPolarHBondContact OD1-CB 3.32Å; D92-R94 WeakPolarHBondContact OD1-CG 3.49Å; D92-R94 PolarHBondContact OD1-N 3.19Å
93N93.3Very high91.9Very high113 Ų11350.8 Ų50.860%0.60426%0.261SS*.SBendtrans67.226.4-175.7-52.1-91.6000114.2D88 S91D88-N93 VanDerWaalsContact OD2-CA 3.26Å; D88-N93 WeakPolarHBondContact OD2-CA 3.37Å; D88-N93 PolarHBondContact OD2-N 3.13Å; S91-N93 VanDerWaalsContact C-N 3.32Å
94R95.4Very high91.9Very high81 Ų8150.1 Ų50.131%0.30626%0.258SS..EExtended strand (participates in β ladder)trans-122.3160.4175.7-49.4176165.3-168.3-20.7108.6Y44 E46 D92Y44-R94 HydrophobicContact CD1-CB 3.99Å; Y44-R94 HydrophobicContact CG-CB 4.43Å; E46-R94 HydrophobicContact CB-CB 4.28Å; E46-R94 HydrophobicContact CB-CG 3.89Å; E46-R94 VanDerWaalsContact CD-NH2 3.34Å; E46-R94 IonicContact OE1-CZ 3.99Å; E46-R94 IonicContact OE1-NE 2.86Å; E46-R94 IonicContact OE1-NH2 3.25Å; E46-R94 PolarHBondContact OE1-NH2 3.4Å; E46-R94 IonicContact OE2-CZ 4Å; E46-R94 IonicContact OE2-NE 2.62Å; E46-R94 PolarHBondContact OE2-NE 2.87Å; E46-R94 IonicContact OE2-NH2 3.9Å; E46-R94 PolarHBondContact OE2-NH2 3.01Å; D92-R94 VanDerWaalsContact C-N 3.32Å; D92-R94 WeakPolarHBondContact OD1-CA 3.5Å; D92-R94 WeakPolarHBondContact OD1-CB 3.32Å; D92-R94 WeakPolarHBondContact OD1-CG 3.49Å; D92-R94 PolarHBondContact OD1-N 3.19Å
95I95.1Very high91.8Very high0 Ų052 Ų520%027%0.272CS..EExtended strand (participates in β ladder)trans-109.3114.2167.7-62.1-64.8000107.8W34 I45 L50 F83 M84 E99 M100 I103W34-I95 WeakPolarHBondContact CH2-O 3.32Å; I45-I95 HydrophobicContact CB-CB 4.2Å; I45-I95 PolarHBondContact N-O 2.82Å; I45-I95 PolarHBondContact O-N 3.44Å; L50-I95 HydrophobicContact CD1-CG1 3.7Å; F83-I95 HydrophobicContact CE1-CD1 4.22Å; M84-I95 HydrophobicContact CE-CD1 3.98Å; M84-I95 HydrophobicContact CE-CG1 4.36Å; M84-I95 HydrophobicContact SD-CD1 3.89Å; M84-I95 HydrophobicContact SD-CG1 4.32Å; I95-E99 WeakPolarHBondContact CA-OE2 3.49Å; I95-E99 HydrophobicContact CG2-CB 4.12Å; I95-M100 HydrophobicContact CG2-CB 4.16Å; I95-I103 HydrophobicContact CD1-CD1 4.23Å; I95-I103 HydrophobicContact CG2-CD1 4.02Å
96E92.5Very high91.8Very high19 Ų1946 Ų469%0.08924%0.244CC..EExtended strand (participates in β ladder)trans-77.6160.9170.8-68.8-174.8-156.100110.9Y44 N90 T98 E99 M100 R116Y44-E96 HydrophobicContact CD1-CG 3.91Å; Y44-E96 HydrophobicContact CE1-CG 3.74Å; N90-E96 PolarHBondContact ND2-OE1 3.16Å; E96-T98 PolarHBondContact O-N 2.84Å; E96-T98 VanDerWaalsContact O-N 3.14Å; E96-E99 HydrophobicContact CB-CG 4.39Å; E96-E99 PolarHBondContact N-OE2 2.84Å; E96-E99 WeakPolarHBondContact O-CB 3.4Å; E96-E99 PolarHBondContact O-N 3.05Å; E96-M100 PolarHBondContact O-N 3.31Å; E96-R116 IonicContact OE1-NH1 3.8Å; E96-R116 IonicContact OE2-CZ 3.79Å; E96-R116 VanDerWaalsContact OE2-CZ 3.25Å; E96-R116 IonicContact OE2-NH1 2.66Å; E96-R116 PolarHBondContact OE2-NH1 3.26Å; E96-R116 IonicContact OE2-NH2 2.74Å; E96-R116 PolarHBondContact OE2-NH2 3.29Å
97L91Very high91.8Very high19 Ų1942.4 Ų42.410%0.09922%0.221CC..Hα-helixtrans-53.9-37176.5-16973.5000112.7F30 W34 E99 M100 A101 F114 L178 F179F30-L97 HydrophobicContact CE1-CD1 3.65Å; F30-L97 HydrophobicContact CE1-CG 4.3Å; F30-L97 HydrophobicContact CZ-CD1 4.18Å; W34-L97 HydrophobicContact CD2-CD1 3.43Å; W34-L97 VanDerWaalsContact CD2-CD1 3.43Å; W34-L97 HydrophobicContact CE3-CD1 3.62Å; W34-L97 HydrophobicContact CG-CD1 3.84Å; W34-L97 HydrophobicContact CH2-CB 4.08Å; W34-L97 HydrophobicContact CH2-CD1 4.36Å; W34-L97 HydrophobicContact CZ2-CB 4.29Å; W34-L97 HydrophobicContact CZ2-CD1 4.2Å; W34-L97 VanDerWaalsContact CZ3-CA 3.48Å; W34-L97 HydrophobicContact CZ3-CB 4.26Å; W34-L97 HydrophobicContact CZ3-CD1 4.1Å; L97-E99 VanDerWaalsContact C-N 3.33Å; L97-M100 PolarHBondContact O-N 2.85Å; L97-A101 WeakPolarHBondContact O-CB 3.33Å; L97-A101 PolarHBondContact O-N 3.14Å; L97-F114 HydrophobicContact CD2-CD1 3.68Å; L97-F114 HydrophobicContact CD2-CE1 3.5Å; L97-F114 VanDerWaalsContact CD2-CE1 3.5Å; L97-F114 HydrophobicContact CD2-CG 4.35Å; L97-F114 HydrophobicContact CD2-CZ 4Å; L97-L178 HydrophobicContact CD1-CD1 4.19Å; L97-L178 HydrophobicContact CD1-CD2 3.83Å; L97-L178 HydrophobicContact CD2-CD1 4Å; L97-F179 HydrophobicContact CD2-CE2 3.75Å; L97-F179 HydrophobicContact CD2-CZ 3.59Å
98T88.2Confident91.7Very high26 Ų2645.1 Ų45.116%0.1623%0.234CC..Hα-helixtrans-70.2-28.5179.266.10000113E96 A101 F114 R116E96-T98 PolarHBondContact O-N 2.84Å; E96-T98 VanDerWaalsContact O-N 3.14Å; T98-A101 WeakPolarHBondContact O-CB 3.39Å; T98-F114 HydrophobicContact CG2-CB 4.23Å; T98-F114 WeakPolarHBondContact CG2-O 3.48Å; T98-R116 HydrophobicContact CG2-CG 4.48Å
99E92Very high91.6Very high4 Ų446.5 Ų46.52%0.01924%0.242CC..Hα-helixtrans-81-40.4176.5-63.5170150.600109.6F87 D88 E89 I95 E96 L97 A101 K102 I103F87-E99 VanDerWaalsContact O-CG 3.25Å; F87-E99 WeakPolarHBondContact O-CG 3.45Å; D88-E99 WeakPolarHBondContact CA-OE1 3.38Å; E89-E99 PolarHBondContact N-OE1 3.49Å; I95-E99 WeakPolarHBondContact CA-OE2 3.49Å; I95-E99 HydrophobicContact CG2-CB 4.12Å; E96-E99 HydrophobicContact CB-CG 4.39Å; E96-E99 PolarHBondContact N-OE2 2.84Å; E96-E99 WeakPolarHBondContact O-CB 3.4Å; E96-E99 PolarHBondContact O-N 3.05Å; L97-E99 VanDerWaalsContact C-N 3.33Å; E99-A101 PolarHBondContact O-N 2.66Å; E99-K102 WeakPolarHBondContact O-CB 3.2Å; E99-K102 PolarHBondContact O-N 3.37Å; E99-I103 WeakPolarHBondContact O-CD1 3.47Å; E99-I103 WeakPolarHBondContact O-CG1 3.44Å; E99-I103 PolarHBondContact O-N 3.39Å; E99-I103 VanDerWaalsContact O-N 3.16Å
100M93.2Very high91.8Very high0 Ų040.3 Ų40.30%021%0.213CC..Hα-helixtrans-56.1-39.2169.9-174.267.496.200112.3F30 V33 W34 I45 F53 I95 E96 L97 K102 I103 L104F30-M100 HydrophobicContact CE2-CB 4.27Å; F30-M100 HydrophobicContact CE2-CG 3.67Å; F30-M100 HydrophobicContact CZ-CB 4.01Å; F30-M100 HydrophobicContact CZ-CG 3.74Å; V33-M100 HydrophobicContact CG1-CE 4.4Å; W34-M100 HydrophobicContact CE3-CB 3.83Å; W34-M100 HydrophobicContact CE3-CE 4.19Å; W34-M100 HydrophobicContact CE3-CG 3.97Å; W34-M100 HydrophobicContact CZ3-CB 3.74Å; W34-M100 HydrophobicContact CZ3-CG 4.34Å; I45-M100 HydrophobicContact CD1-CE 3.2Å; F53-M100 HydrophobicContact CD2-CE 4.18Å; F53-M100 HydrophobicContact CE1-CE 4.41Å; F53-M100 HydrophobicContact CE1-SD 4.44Å; F53-M100 HydrophobicContact CE2-CE 3.7Å; F53-M100 HydrophobicContact CE2-SD 3.98Å; F53-M100 HydrophobicContact CZ-CE 3.83Å; F53-M100 HydrophobicContact CZ-SD 3.67Å; I95-M100 HydrophobicContact CG2-CB 4.16Å; E96-M100 PolarHBondContact O-N 3.31Å; L97-M100 PolarHBondContact O-N 2.85Å; M100-K102 PolarHBondContact O-N 3.01Å; M100-I103 PolarHBondContact O-N 2.96Å; M100-I103 VanDerWaalsContact O-N 3.08Å; M100-I103 HydrophobicContact SD-CB 4.48Å; M100-L104 HydrophobicContact CG-CD1 3.84Å; M100-L104 HydrophobicContact CG-CG 4.2Å; M100-L104 PolarHBondContact O-N 3.23Å; M100-L104 HydrophobicContact SD-CD1 3.62Å; M100-L104 HydrophobicContact SD-CD2 4.45Å; M100-L104 HydrophobicContact SD-CG 3.7Å
101A90.5Very high91.9Very high9 Ų937.4 Ų37.47%0.07420%0.197CC..Hα-helixtrans-59.6-24.5175.100000114.1F30 L97 T98 E99 I111F30-A101 HydrophobicContact CE2-CB 4.42Å; F30-A101 HydrophobicContact CZ-CB 4.24Å; L97-A101 WeakPolarHBondContact O-CB 3.33Å; L97-A101 PolarHBondContact O-N 3.14Å; T98-A101 WeakPolarHBondContact O-CB 3.39Å; E99-A101 PolarHBondContact O-N 2.66Å; A101-I111 HydrophobicContact CB-CD1 3.44Å; A101-I111 VanDerWaalsContact CB-CD1 3.44Å; A101-I111 HydrophobicContact CB-CG1 4.45Å; A101-I111 HydrophobicContact CB-CG2 4.13Å
102K89Confident91.8Very high96 Ų9635 Ų3542%0.41718%0.176SC..Hα-helixtrans-88.2-26.9175.4-63.5170.6-176.4169.30112.5F87 E89 E99 M100F87-K102 HydrophobicContact CD1-CB 4.36Å; E89-K102 IonicContact OE1-NZ 3.8Å; E89-K102 PolarHBondContact OE1-NZ 2.85Å; E89-K102 IonicContact OE2-NZ 3.88Å; E89-K102 PolarHBondContact OE2-NZ 3.29Å; E99-K102 WeakPolarHBondContact O-CB 3.2Å; E99-K102 PolarHBondContact O-N 3.37Å; M100-K102 PolarHBondContact O-N 3.01Å
103I91.7Very high91.6Very high14 Ų1432.9 Ų32.97%0.07217%0.165CC..Hα-helixtrans-78.4-46.2-179.5-62.1158.5000110.6F53 F57 F83 F87 I95 E99 M100F53-I103 HydrophobicContact CE1-CD1 4.43Å; F53-I103 HydrophobicContact CE1-CG2 4.47Å; F53-I103 HydrophobicContact CZ-CG2 3.97Å; F57-I103 HydrophobicContact CD2-CG2 4.35Å; F57-I103 HydrophobicContact CE2-CG2 3.78Å; F57-I103 HydrophobicContact CZ-CG2 4.06Å; F83-I103 HydrophobicContact CE1-CD1 3.75Å; F83-I103 HydrophobicContact CE1-CG1 4.33Å; F83-I103 HydrophobicContact CE2-CG2 4.28Å; F83-I103 HydrophobicContact CZ-CD1 3.62Å; F83-I103 HydrophobicContact CZ-CG1 3.86Å; F83-I103 HydrophobicContact CZ-CG2 3.83Å; F87-I103 HydrophobicContact CB-CD1 4.08Å; F87-I103 HydrophobicContact CB-CG1 4.06Å; F87-I103 HydrophobicContact CD1-CD1 4.48Å; F87-I103 HydrophobicContact CD1-CG1 3.56Å; F87-I103 HydrophobicContact CD2-CG1 4Å; F87-I103 HydrophobicContact CE1-CG1 3.91Å; F87-I103 HydrophobicContact CE2-CG1 4.32Å; F87-I103 HydrophobicContact CG-CD1 4.15Å; F87-I103 HydrophobicContact CG-CG1 3.61Å; F87-I103 HydrophobicContact CZ-CG1 4.28Å; I95-I103 HydrophobicContact CD1-CD1 4.23Å; I95-I103 HydrophobicContact CG2-CD1 4.02Å; E99-I103 WeakPolarHBondContact O-CD1 3.47Å; E99-I103 WeakPolarHBondContact O-CG1 3.44Å; E99-I103 PolarHBondContact O-N 3.39Å; E99-I103 VanDerWaalsContact O-N 3.16Å; M100-I103 PolarHBondContact O-N 2.96Å; M100-I103 VanDerWaalsContact O-N 3.08Å; M100-I103 HydrophobicContact SD-CB 4.48Å
104L92Very high91.1Very high3 Ų328.2 Ų28.22%0.01614%0.14CC..SBendtrans-91.7128-177.1-60.6179.9000110.8L22 F25 F30 V33 M100 T106L22-L104 HydrophobicContact CD1-CD2 3.76Å; F25-L104 HydrophobicContact CD2-CB 4.37Å; F25-L104 HydrophobicContact CE2-CD2 4.25Å; F25-L104 HydrophobicContact CZ-CD2 4.32Å; F30-L104 HydrophobicContact CD2-CB 4.15Å; F30-L104 HydrophobicContact CD2-CD1 3.82Å; F30-L104 HydrophobicContact CE2-CB 4.26Å; F30-L104 HydrophobicContact CE2-CD1 4.04Å; V33-L104 HydrophobicContact CB-CD1 4.06Å; V33-L104 HydrophobicContact CG1-CD1 3.68Å; M100-L104 HydrophobicContact CG-CD1 3.84Å; M100-L104 HydrophobicContact CG-CG 4.2Å; M100-L104 PolarHBondContact O-N 3.23Å; M100-L104 HydrophobicContact SD-CD1 3.62Å; M100-L104 HydrophobicContact SD-CD2 4.45Å; M100-L104 HydrophobicContact SD-CG 3.7Å; L104-T106 VanDerWaalsContact C-N 3.3Å; L104-T106 PolarHBondContact O-N 2.94Å; L104-T106 PolarHBondContact O-OG1 3.44Å; L104-T106 VanDerWaalsContact O-OG1 3.11Å
105P91.2Very high90.1Very high56 Ų5628.3 Ų28.336%0.36414%0.143SC..  trans-71.187.4177.130.3-34.3000109.9L22 K23 Y24 F25L22-P105 HydrophobicContact CB-CG 4.27Å; K23-P105 WeakPolarHBondContact O-CG 3.33Å; Y24-P105 CarbonylContact C-O 3.59Å; Y24-P105 VanDerWaalsContact CA-O 3.3Å; Y24-P105 WeakPolarHBondContact CA-O 3.44Å; Y24-P105 HydrophobicContact CD2-CB 4.32Å; Y24-P105 WeakPolarHBondContact CD2-O 3.35Å; F25-P105 HydrophobicContact CD2-CG 4.23Å; F25-P105 HydrophobicContact CE2-CG 4.4Å; F25-P105 PolarHBondContact N-O 3.34Å
106T93.1Very high88.6Confident10 Ų1034.5 Ų34.56%0.06117%0.167CC..BIsolated β-bridgetrans-108.7162.2-174.1-50.90000110.4Y24 F25 F30 L104 E108 F110 I111Y24-T106 PolarHBondContact OH-O 3.07Å; F25-T106 HydrophobicContact CB-CG2 4.33Å; F30-T106 HydrophobicContact CB-CG2 3.86Å; F30-T106 HydrophobicContact CD2-CG2 4.01Å; F30-T106 WeakPolarHBondContact CD2-OG1 3.4Å; F30-T106 HydrophobicContact CG-CG2 4.11Å; L104-T106 VanDerWaalsContact C-N 3.3Å; L104-T106 PolarHBondContact O-N 2.94Å; L104-T106 PolarHBondContact O-OG1 3.44Å; L104-T106 VanDerWaalsContact O-OG1 3.11Å; T106-E108 PolarHBondContact O-N 3.49Å; T106-F110 HydrophobicContact CG2-CD1 3.85Å; T106-I111 HydrophobicContact CG2-CD1 3.78Å; T106-I111 HydrophobicContact CG2-CG1 4.2Å
107E91.7Very high87.4Confident22 Ų2239.7 Ų39.710%0.10320%0.195CC..  trans-57.7124.8179.668.5-160.2157.400115.5Y24 F25 A27 N109 F110 I111 K167 Y171Y24-E107 HydrophobicContact CE1-CB 3.81Å; Y24-E107 VanDerWaalsContact OH-CA 3.3Å; Y24-E107 WeakPolarHBondContact OH-CA 3.26Å; F25-E107 PolarHBondContact O-N 3.06Å; A27-E107 WeakPolarHBondContact CA-OE1 3.12Å; A27-E107 WeakPolarHBondContact CB-OE1 3.4Å; A27-E107 PolarHBondContact N-OE1 3.19Å; E107-N109 VanDerWaalsContact C-N 3.27Å; E107-N109 PolarHBondContact O-N 3.25Å; E107-N109 VanDerWaalsContact O-N 3.15Å; E107-F110 HydrophobicContact CG-CB 3.33Å; E107-F110 HydrophobicContact CG-CG 4.43Å; E107-F110 WeakPolarHBondContact O-CB 3.37Å; E107-F110 PolarHBondContact O-N 3.31Å; E107-I111 PolarHBondContact O-N 2.86Å; E107-K167 WeakPolarHBondContact OE1-CE 3.41Å; E107-K167 IonicContact OE1-NZ 2.67Å; E107-K167 PolarHBondContact OE1-NZ 3.48Å; E107-K167 WeakPolarHBondContact OE2-CE 3.32Å; E107-K167 IonicContact OE2-NZ 3.97Å; E107-K167 PolarHBondContact OE2-NZ 3.35Å; E107-Y171 HydrophobicContact CG-CE1 4.34Å; E107-Y171 WeakPolarHBondContact OE1-CE1 3.44Å
108E90.6Very high86.3Confident109 Ų10944.7 Ų44.751%0.50922%0.222SC..Hα-helixtrans-46.8-49-176.6-173.3-168.4160.100112.4Y24 T106 F110 I111 L112 K158Y24-E108 PolarHBondContact OH-N 2.93Å; T106-E108 PolarHBondContact O-N 3.49Å; E108-F110 VanDerWaalsContact C-N 3.31Å; E108-F110 PolarHBondContact O-N 2.89Å; E108-I111 PolarHBondContact O-N 3.49Å; E108-L112 WeakPolarHBondContact O-CG 3.18Å; E108-L112 PolarHBondContact O-N 3.33Å; E108-K158 IonicContact OE1-NZ 3.91Å; E108-K158 PolarHBondContact OE1-NZ 3.16Å; E108-K158 IonicContact OE2-NZ 2.63Å
109N92Very high85.9Confident39 Ų3945.2 Ų45.221%0.20923%0.226CC..Hα-helixtrans-63.1-35.1-179.5-73.5-13.8000112.8E107 L154 Y171E107-N109 VanDerWaalsContact C-N 3.27Å; E107-N109 PolarHBondContact O-N 3.25Å; E107-N109 VanDerWaalsContact O-N 3.15Å; N109-L154 WeakPolarHBondContact O-CD2 3.39Å; N109-Y171 HydrophobicContact CB-CE2 4.04Å; N109-Y171 WeakPolarHBondContact CB-OH 3.47Å
110F92.4Very high85.5Confident0 Ų046.4 Ų46.40%023%0.232CC..Hα-helixtrans-72.8-41.5176.3-176.9-116.3000110.6A27 F30 V31 T106 E107 E108 L112 L113 F114 Y171 I175 L178A27-F110 HydrophobicContact CB-CB 4.24Å; A27-F110 HydrophobicContact CB-CD1 3.81Å; A27-F110 HydrophobicContact CB-CD2 3.46Å; A27-F110 VanDerWaalsContact CB-CD2 3.46Å; A27-F110 HydrophobicContact CB-CE1 3.91Å; A27-F110 HydrophobicContact CB-CE2 3.6Å; A27-F110 HydrophobicContact CB-CG 3.57Å; A27-F110 HydrophobicContact CB-CZ 3.82Å; F30-F110 HydrophobicContact CB-CE1 4.19Å; F30-F110 AromaticContact CD1-CE1 3.65Å; F30-F110 HydrophobicContact CD1-CE1 3.65Å; F30-F110 HydrophobicContact CD1-CZ 4.48Å; F30-F110 HydrophobicContact CE1-CE1 4.29Å; F30-F110 HydrophobicContact CG-CE1 4.09Å; V31-F110 HydrophobicContact CG2-CZ 4.2Å; T106-F110 HydrophobicContact CG2-CD1 3.85Å; E107-F110 HydrophobicContact CG-CB 3.33Å; E107-F110 HydrophobicContact CG-CG 4.43Å; E107-F110 WeakPolarHBondContact O-CB 3.37Å; E107-F110 PolarHBondContact O-N 3.31Å; E108-F110 VanDerWaalsContact C-N 3.31Å; E108-F110 PolarHBondContact O-N 2.89Å; F110-L112 VanDerWaalsContact C-N 3.28Å; F110-L112 PolarHBondContact O-N 2.5Å; F110-L113 HydrophobicContact CD2-CD1 3.96Å; F110-L113 HydrophobicContact CE2-CD1 4.41Å; F110-L113 VanDerWaalsContact O-CB 3.26Å; F110-L113 WeakPolarHBondContact O-CB 3.39Å; F110-L113 PolarHBondContact O-N 2.99Å; F110-F114 AromaticContact CD1-CE2 3.79Å; F110-F114 HydrophobicContact CD1-CE2 3.79Å; F110-F114 HydrophobicContact CD2-CE2 4.42Å; F110-F114 AromaticContact CE1-CE2 3.45Å; F110-F114 HydrophobicContact CE1-CE2 3.45Å; F110-F114 VanDerWaalsContact CE1-CE2 3.45Å; F110-F114 AromaticContact CE1-CZ 3.86Å; F110-F114 HydrophobicContact CE1-CZ 3.86Å; F110-F114 HydrophobicContact CE2-CE2 4.11Å; F110-F114 AromaticContact CE2-CZ 3.94Å; F110-F114 HydrophobicContact CE2-CZ 3.94Å; F110-F114 HydrophobicContact CG-CE2 4.28Å; F110-F114 AromaticContact CZ-CE2 3.62Å; F110-F114 HydrophobicContact CZ-CE2 3.62Å; F110-F114 AromaticContact CZ-CZ 3.53Å; F110-F114 HydrophobicContact CZ-CZ 3.53Å; F110-Y171 HydrophobicContact CB-CD1 4.37Å; F110-Y171 HydrophobicContact CB-CE1 3.92Å; F110-Y171 AromaticContact CD2-CD1 3.76Å; F110-Y171 HydrophobicContact CD2-CD1 3.76Å; F110-Y171 HydrophobicContact CD2-CE1 4.17Å; F110-Y171 HydrophobicContact CD2-CG 4.13Å; F110-Y171 HydrophobicContact CG-CD1 4.44Å; F110-Y171 HydrophobicContact CG-CE1 4.42Å; F110-I175 HydrophobicContact CE2-CD1 4.03Å; F110-I175 HydrophobicContact CE2-CG1 4.29Å; F110-I175 HydrophobicContact CZ-CD1 4.49Å; F110-L178 HydrophobicContact CZ-CD1 4.17Å
111I90.3Very high85.2Confident16 Ų1651 Ų518%0.08226%0.257CS..Hα-helixtrans-61.2-37.6177.5-62.5-49.6000111.8A101 T106 E107 E108 L113 F114 H115A101-I111 HydrophobicContact CB-CD1 3.44Å; A101-I111 VanDerWaalsContact CB-CD1 3.44Å; A101-I111 HydrophobicContact CB-CG1 4.45Å; A101-I111 HydrophobicContact CB-CG2 4.13Å; T106-I111 HydrophobicContact CG2-CD1 3.78Å; T106-I111 HydrophobicContact CG2-CG1 4.2Å; E107-I111 PolarHBondContact O-N 2.86Å; E108-I111 PolarHBondContact O-N 3.49Å; I111-L113 PolarHBondContact O-N 3.5Å; I111-F114 PolarHBondContact O-N 2.98Å; I111-H115 WeakPolarHBondContact CG2-NE2 3.45Å; I111-H115 PolarHBondContact O-CD2 3.42Å; I111-H115 PolarHBondContact O-N 3.45Å
112L89.2Confident85.2Confident42 Ų4250.9 Ų50.922%0.2226%0.255CS..THydrogen-bonded Turntrans-55.4-23.6174.8-75.1176.1000114E108 F110 F114 L154 A157 K158E108-L112 WeakPolarHBondContact O-CG 3.18Å; E108-L112 PolarHBondContact O-N 3.33Å; F110-L112 VanDerWaalsContact C-N 3.28Å; F110-L112 PolarHBondContact O-N 2.5Å; L112-F114 PolarHBondContact O-N 2.83Å; L112-L154 HydrophobicContact CB-CD2 4.05Å; L112-A157 HydrophobicContact CD2-CB 4.49Å; L112-K158 HydrophobicContact CD1-CB 4.33Å; L112-K158 HydrophobicContact CD1-CD 4.29Å
113L89Confident85.3Confident12 Ų1246.3 Ų46.36%0.06324%0.235CC..THydrogen-bonded Turntrans-69.6-20.4175.2-62.5173.7000113.1F110 I111 L150 L153 L154 Y171 I175F110-L113 HydrophobicContact CD2-CD1 3.96Å; F110-L113 HydrophobicContact CE2-CD1 4.41Å; F110-L113 VanDerWaalsContact O-CB 3.26Å; F110-L113 WeakPolarHBondContact O-CB 3.39Å; F110-L113 PolarHBondContact O-N 2.99Å; I111-L113 PolarHBondContact O-N 3.5Å; L113-L150 HydrophobicContact CD1-CD1 4.42Å; L113-L150 HydrophobicContact CD1-CD2 4.13Å; L113-L150 HydrophobicContact CD2-CB 4.29Å; L113-L150 HydrophobicContact CD2-CD2 3.91Å; L113-L153 HydrophobicContact CD2-CB 4.14Å; L113-L153 HydrophobicContact CD2-CD1 4.25Å; L113-L154 HydrophobicContact CD2-CD1 3.94Å; L113-L154 HydrophobicContact CD2-CD2 3.75Å; L113-L154 HydrophobicContact CD2-CG 3.64Å; L113-L154 HydrophobicContact CG-CD1 4.49Å; L113-L154 HydrophobicContact CG-CD2 4.06Å; L113-L154 HydrophobicContact CG-CG 4.4Å; L113-Y171 HydrophobicContact CD1-CD2 4.24Å; L113-Y171 HydrophobicContact CD1-CG 4.39Å; L113-I175 HydrophobicContact CD1-CD1 4.21Å; L113-I175 HydrophobicContact CD1-CG1 4.22Å
114F83.8Confident85.4Confident16 Ų1645.7 Ų45.77%0.0723%0.232CC..THydrogen-bonded Turntrans-107.7-4.9-178.7-50.4-60.2000113.4L97 T98 F110 I111 L112 R116 I175 L178 F179 L195L97-F114 HydrophobicContact CD2-CD1 3.68Å; L97-F114 HydrophobicContact CD2-CE1 3.5Å; L97-F114 VanDerWaalsContact CD2-CE1 3.5Å; L97-F114 HydrophobicContact CD2-CG 4.35Å; L97-F114 HydrophobicContact CD2-CZ 4Å; T98-F114 HydrophobicContact CG2-CB 4.23Å; T98-F114 WeakPolarHBondContact CG2-O 3.48Å; F110-F114 AromaticContact CD1-CE2 3.79Å; F110-F114 HydrophobicContact CD1-CE2 3.79Å; F110-F114 HydrophobicContact CD2-CE2 4.42Å; F110-F114 AromaticContact CE1-CE2 3.45Å; F110-F114 HydrophobicContact CE1-CE2 3.45Å; F110-F114 VanDerWaalsContact CE1-CE2 3.45Å; F110-F114 AromaticContact CE1-CZ 3.86Å; F110-F114 HydrophobicContact CE1-CZ 3.86Å; F110-F114 HydrophobicContact CE2-CE2 4.11Å; F110-F114 AromaticContact CE2-CZ 3.94Å; F110-F114 HydrophobicContact CE2-CZ 3.94Å; F110-F114 HydrophobicContact CG-CE2 4.28Å; F110-F114 AromaticContact CZ-CE2 3.62Å; F110-F114 HydrophobicContact CZ-CE2 3.62Å; F110-F114 AromaticContact CZ-CZ 3.53Å; F110-F114 HydrophobicContact CZ-CZ 3.53Å; I111-F114 PolarHBondContact O-N 2.98Å; L112-F114 PolarHBondContact O-N 2.83Å; F114-R116 PolarHBondContact O-N 3.05Å; F114-I175 HydrophobicContact CE1-CD1 3.48Å; F114-I175 VanDerWaalsContact CE1-CD1 3.48Å; F114-I175 HydrophobicContact CZ-CD1 3.49Å; F114-I175 VanDerWaalsContact CZ-CD1 3.49Å; F114-L178 HydrophobicContact CE1-CD1 4.26Å; F114-L178 HydrophobicContact CZ-CD1 3.8Å; F114-F179 AromaticContact CE1-CE2 3.86Å; F114-F179 HydrophobicContact CE1-CE2 3.86Å; F114-F179 HydrophobicContact CE1-CZ 4.32Å; F114-L195 HydrophobicContact CE1-CD1 4.45Å
115H72.6Confident85.4Confident82 Ų8248.6 Ų48.638%0.3825%0.246SC..  trans-67.5107.6-177.6-96.3-111.7000111I111 D117I111-H115 WeakPolarHBondContact CG2-NE2 3.45Å; I111-H115 PolarHBondContact O-CD2 3.42Å; I111-H115 PolarHBondContact O-N 3.45Å; H115-D117 IonicContact CE1-OD2 3.31Å; H115-D117 IonicContact CG-OD2 2.74Å; H115-D117 IonicContact ND1-OD2 2.91Å; H115-D117 PolarHBondContact ND1-OD2 3.18Å; H115-D117 PolarHBondContact O-N 2.97Å; H115-D117 VanDerWaalsContact O-N 3.08Å
116R64.7Low85.5Confident131 Ų13146 Ų4649%0.49423%0.228SC..THydrogen-bonded Turntrans-66.71.1173.3-77-171.11731525114.2E96 T98 F114 N118 P119 P197E96-R116 IonicContact OE1-NH1 3.8Å; E96-R116 IonicContact OE2-CZ 3.79Å; E96-R116 VanDerWaalsContact OE2-CZ 3.25Å; E96-R116 IonicContact OE2-NH1 2.66Å; E96-R116 PolarHBondContact OE2-NH1 3.26Å; E96-R116 IonicContact OE2-NH2 2.74Å; E96-R116 PolarHBondContact OE2-NH2 3.29Å; T98-R116 HydrophobicContact CG2-CG 4.48Å; F114-R116 PolarHBondContact O-N 3.05Å; R116-N118 PolarHBondContact O-N 3.2Å; R116-P119 WeakPolarHBondContact O-CD 3.48Å; R116-P119 VanDerWaalsContact O-CG 3.29Å; R116-P119 WeakPolarHBondContact O-CG 3.37Å; R116-P197 HydrophobicContact CG-CG 4.1Å
117D66.3Low85.6Confident127 Ų12745.5 Ų45.568%0.67923%0.226SC*.THydrogen-bonded Turntrans-65.3-18.6177.6-63.1-44.4000112.5H115 P119H115-D117 IonicContact CE1-OD2 3.31Å; H115-D117 IonicContact CG-OD2 2.74Å; H115-D117 IonicContact ND1-OD2 2.91Å; H115-D117 PolarHBondContact ND1-OD2 3.18Å; H115-D117 PolarHBondContact O-N 2.97Å; H115-D117 VanDerWaalsContact O-N 3.08Å; D117-P119 VanDerWaalsContact C-CD 3.5Å
118N69.5Low85.7Confident124 Ų12449 Ų4966%0.66324%0.238SC*.SBendtrans-124.763172.1-72.3-34.2000111.7R116R116-N118 PolarHBondContact O-N 3.2Å
119P79.4Confident85.8Confident38 Ų3844.6 Ų44.625%0.24722%0.218CC..  trans-72.3150.9174.726.7-15000109.3R116 D117 K199R116-P119 WeakPolarHBondContact O-CD 3.48Å; R116-P119 VanDerWaalsContact O-CG 3.29Å; R116-P119 WeakPolarHBondContact O-CG 3.37Å; D117-P119 VanDerWaalsContact C-CD 3.5Å; P119-K199 HydrophobicContact CB-CG 4.06Å; P119-K199 HydrophobicContact CG-CG 3.64Å
120L84Confident86Confident29 Ų2942.7 Ų42.715%0.15221%0.208CC..BIsolated β-bridgetrans-63.9145175.1-69-173.2000110.9S122 E125 F126 V129 L196 P197 V198 K199L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 3.46Å; L120-E125 HydrophobicContact CD2-CG 4.16Å; L120-F126 VanDerWaalsContact CD1-CA 3.41Å; L120-F126 HydrophobicContact CD1-CB 3.83Å; L120-F126 HydrophobicContact CD1-CD2 4.2Å; L120-F126 HydrophobicContact CD1-CG 4.49Å; L120-V129 HydrophobicContact CD1-CG2 4.22Å; L120-V129 HydrophobicContact CD2-CG2 4.37Å; L120-L196 HydrophobicContact CD1-CD2 3.37Å; L120-L196 HydrophobicContact CD1-CG 3.83Å; L120-L196 HydrophobicContact CG-CD1 4.44Å; L120-L196 HydrophobicContact CG-CD2 3.94Å; L120-L196 HydrophobicContact CG-CG 3.98Å; L120-P197 PolarHBondContact N-O 2.98Å; L120-V198 HydrophobicContact CB-CG1 4.11Å; L120-V198 CarbonylContact O-C 3.56Å; L120-V198 WeakPolarHBondContact O-CA 3.42Å; L120-K199 PolarHBondContact O-N 3.44Å
121D85.6Confident86.1Confident96 Ų9646.5 Ų46.551%0.51323%0.225SC..SBendtrans-66-29.5-175.2-76.1-38.1000113.7K199 Y202D121-K199 WeakPolarHBondContact OD1-CE 3.18Å; D121-K199 IonicContact OD1-NZ 2.66Å; D121-K199 PolarHBondContact OD1-NZ 3.48Å; D121-Y202 PolarHBondContact O-OH 2.93Å; D121-Y202 VanDerWaalsContact O-OH 3.09Å
122S90.4Very high86.3Confident7 Ų753 Ų535%0.04925%0.248CC..  trans-162.7165.5-176.364.30000112L120 V124 E125 F126 V198L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 3.46Å; S122-V124 PolarHBondContact O-N 3.15Å; S122-V124 PolarHBondContact OG-N 2.87Å; S122-E125 PolarHBondContact O-N 2.63Å; S122-E125 VanDerWaalsContact O-N 3.14Å; S122-E125 PolarHBondContact OG-N 2.84Å; S122-F126 PolarHBondContact O-N 2.82Å; S122-V198 WeakPolarHBondContact O-CG1 3.46Å
123S92.6Very high86.7Confident0 Ų051.7 Ų51.70%024%0.241CC..Hα-helixtrans-63.8-20.7169.2-75.50000113.5F126 M127 G241 K244 D245S123-F126 WeakPolarHBondContact O-CB 3.49Å; S123-F126 PolarHBondContact O-N 3.17Å; S123-M127 WeakPolarHBondContact O-CG 3.45Å; S123-M127 PolarHBondContact O-N 3.09Å; S123-G241 WeakPolarHBondContact CB-O 3.48Å; S123-G241 WeakPolarHBondContact O-CA 3.37Å; S123-K244 PolarHBondContact OG-NZ 2.92Å; S123-D245 WeakPolarHBondContact CB-OD1 3.28Å; S123-D245 PolarHBondContact OG-OD1 3.37Å
124V93.2Very high87Confident0 Ų051.5 Ų51.50%024%0.24CC..Hα-helixtrans-67.4-45.1171-177.40000110.5S122 F126 M127 R128 Y226 L228 E237 E238S122-V124 PolarHBondContact O-N 3.15Å; S122-V124 PolarHBondContact OG-N 2.87Å; V124-F126 VanDerWaalsContact C-N 3.31Å; V124-F126 PolarHBondContact O-N 2.89Å; V124-M127 PolarHBondContact O-N 2.99Å; V124-R128 WeakPolarHBondContact O-CG 3.43Å; V124-R128 PolarHBondContact O-N 2.74Å; V124-Y226 HydrophobicContact CG2-CD1 3.84Å; V124-L228 HydrophobicContact CB-CD1 3.86Å; V124-L228 HydrophobicContact CG1-CD1 3.63Å; V124-L228 HydrophobicContact CG1-CG 4.42Å; V124-L228 HydrophobicContact CG2-CD1 4.41Å; V124-E237 HydrophobicContact CG1-CB 4.27Å; V124-E238 HydrophobicContact CG1-CB 4.47Å; V124-E238 HydrophobicContact CG1-CG 4.06Å
125E91.5Very high87.5Confident65 Ų6557.4 Ų57.430%0.30427%0.266SS..Hα-helixtrans-66.8-36.7176.1-165.959-152.500111.3L120 S122 M127 R128 V129L120-E125 HydrophobicContact CD2-CG 4.16Å; S122-E125 PolarHBondContact O-N 2.63Å; S122-E125 VanDerWaalsContact O-N 3.14Å; S122-E125 PolarHBondContact OG-N 2.84Å; E125-M127 PolarHBondContact O-N 2.7Å; E125-R128 WeakPolarHBondContact O-CB 3.25Å; E125-R128 PolarHBondContact O-N 3.04Å; E125-R128 VanDerWaalsContact OE2-CD 3.32Å; E125-R128 WeakPolarHBondContact OE2-CD 3.43Å; E125-R128 IonicContact OE2-CZ 3.63Å; E125-R128 IonicContact OE2-NE 3.85Å; E125-R128 IonicContact OE2-NH1 3.04Å; E125-R128 PolarHBondContact OE2-NH1 3.33Å; E125-V129 WeakPolarHBondContact O-CG2 3.34Å; E125-V129 PolarHBondContact O-N 3.32Å
126F93.8Very high88.5Confident0 Ų058.1 Ų58.10%027%0.272CS..Hα-helixtrans-55.9-49.7170.7177.4-86.8000111.6L120 S122 S123 V124 R128 V129 W130 L189 M192 A193 L196 V198 K244L120-F126 VanDerWaalsContact CD1-CA 3.41Å; L120-F126 HydrophobicContact CD1-CB 3.83Å; L120-F126 HydrophobicContact CD1-CD2 4.2Å; L120-F126 HydrophobicContact CD1-CG 4.49Å; S122-F126 PolarHBondContact O-N 2.82Å; S123-F126 WeakPolarHBondContact O-CB 3.49Å; S123-F126 PolarHBondContact O-N 3.17Å; V124-F126 VanDerWaalsContact C-N 3.31Å; V124-F126 PolarHBondContact O-N 2.89Å; F126-R128 VanDerWaalsContact C-N 3.28Å; F126-R128 PolarHBondContact O-N 3.5Å; F126-V129 PolarHBondContact O-N 3.39Å; F126-V129 VanDerWaalsContact O-N 3.13Å; F126-W130 HydrophobicContact CE1-CB 4.43Å; F126-W130 HydrophobicContact CZ-CE3 4.45Å; F126-W130 WeakPolarHBondContact O-CB 3.25Å; F126-W130 PolarHBondContact O-N 3.38Å; F126-L189 HydrophobicContact CE1-CD1 3.9Å; F126-L189 HydrophobicContact CE1-CG 4.4Å; F126-M192 HydrophobicContact CE2-CG 3.97Å; F126-M192 HydrophobicContact CZ-CB 4.15Å; F126-M192 HydrophobicContact CZ-CG 3.93Å; F126-A193 HydrophobicContact CE2-CB 4.14Å; F126-A193 HydrophobicContact CZ-CB 3.92Å; F126-L196 HydrophobicContact CD2-CB 4.43Å; F126-L196 HydrophobicContact CD2-CD2 4.34Å; F126-L196 HydrophobicContact CE2-CB 4.27Å; F126-V198 HydrophobicContact CB-CG1 3.91Å; F126-K244 HydrophobicContact CD1-CD 3.63Å; F126-K244 HydrophobicContact CE1-CD 3.9Å; F126-K244 HydrophobicContact CG-CD 4.41Å
127M94.8Very high89.9Confident0 Ų062.3 Ų62.30%029%0.288CS..Hα-helixtrans-64.9-31179.5-69.3-52.9-58.500112.8S123 V124 E125 W130 K131 L189 K244 L259S123-M127 WeakPolarHBondContact O-CG 3.45Å; S123-M127 PolarHBondContact O-N 3.09Å; V124-M127 PolarHBondContact O-N 2.99Å; E125-M127 PolarHBondContact O-N 2.7Å; M127-W130 HydrophobicContact CE-CG 4.48Å; M127-K131 WeakPolarHBondContact O-CB 3.32Å; M127-K131 WeakPolarHBondContact O-CG 3.4Å; M127-K131 PolarHBondContact O-N 3.49Å; M127-L189 HydrophobicContact CE-CD1 4.14Å; M127-L189 HydrophobicContact SD-CD1 3.98Å; M127-L189 HydrophobicContact SD-CD2 4.45Å; M127-K244 HydrophobicContact SD-CD 4.33Å; M127-L259 HydrophobicContact CE-CD2 3.72Å; M127-L259 HydrophobicContact SD-CD2 4.29Å
128R94.1Very high91.3Very high96 Ų9658.4 Ų58.436%0.36227%0.271SS..Hα-helixtrans-65.8-44.3171.9-72.1171.7-176.7160.81.2111.9V124 E125 F126 R132 E237V124-R128 WeakPolarHBondContact O-CG 3.43Å; V124-R128 PolarHBondContact O-N 2.74Å; E125-R128 WeakPolarHBondContact O-CB 3.25Å; E125-R128 PolarHBondContact O-N 3.04Å; E125-R128 VanDerWaalsContact OE2-CD 3.32Å; E125-R128 WeakPolarHBondContact OE2-CD 3.43Å; E125-R128 IonicContact OE2-CZ 3.63Å; E125-R128 IonicContact OE2-NE 3.85Å; E125-R128 IonicContact OE2-NH1 3.04Å; E125-R128 PolarHBondContact OE2-NH1 3.33Å; F126-R128 VanDerWaalsContact C-N 3.28Å; F126-R128 PolarHBondContact O-N 3.5Å; R128-R132 VanDerWaalsContact O-CB 3.28Å; R128-R132 WeakPolarHBondContact O-CB 3.34Å; R128-R132 PolarHBondContact O-N 3.38Å; R128-R132 VanDerWaalsContact O-N 3.11Å; R128-E237 HydrophobicContact CG-CB 4.04Å; R128-E237 HydrophobicContact CG-CG 3.82Å
129V93.5Very high92.5Very high16 Ų1652.8 Ų52.810%0.09724%0.242CC..Hα-helixtrans-64.1-48.4176.5172.90000110.1L120 E125 F126 K131 R132 F133 F149 M192 L196L120-V129 HydrophobicContact CD1-CG2 4.22Å; L120-V129 HydrophobicContact CD2-CG2 4.37Å; E125-V129 WeakPolarHBondContact O-CG2 3.34Å; E125-V129 PolarHBondContact O-N 3.32Å; F126-V129 PolarHBondContact O-N 3.39Å; F126-V129 VanDerWaalsContact O-N 3.13Å; V129-K131 PolarHBondContact O-N 2.84Å; V129-R132 WeakPolarHBondContact O-CB 3.36Å; V129-R132 PolarHBondContact O-N 2.84Å; V129-R132 VanDerWaalsContact O-N 3.12Å; V129-F133 HydrophobicContact CG1-CD2 3.98Å; V129-F133 HydrophobicContact CG1-CE2 4.22Å; V129-F133 VanDerWaalsContact O-CD2 3.32Å; V129-F133 WeakPolarHBondContact O-CD2 3.39Å; V129-F133 PolarHBondContact O-N 3.2Å; V129-F133 VanDerWaalsContact O-N 3.16Å; V129-F149 HydrophobicContact CG1-CD2 4.14Å; V129-F149 HydrophobicContact CG1-CE2 3.65Å; V129-M192 HydrophobicContact CG1-CE 4.14Å; V129-L196 HydrophobicContact CG1-CD2 3.96Å
130W95Very high93.4Very high0 Ų053 Ų530%024%0.238CC..Hα-helixtrans-51.1-59.4176.1176.2-98.4000111.9F126 M127 R132 F133 D134 G139 I141 L187 Q188 L189 M192 E256F126-W130 HydrophobicContact CE1-CB 4.43Å; F126-W130 HydrophobicContact CZ-CE3 4.45Å; F126-W130 WeakPolarHBondContact O-CB 3.25Å; F126-W130 PolarHBondContact O-N 3.38Å; M127-W130 HydrophobicContact CE-CG 4.48Å; W130-R132 PolarHBondContact O-N 3Å; W130-R132 VanDerWaalsContact O-N 3.12Å; W130-F133 PolarHBondContact O-N 2.8Å; W130-D134 PolarHBondContact O-N 2.78Å; W130-G139 WeakPolarHBondContact CZ2-O 3.39Å; W130-I141 HydrophobicContact CE3-CD1 4.45Å; W130-I141 HydrophobicContact CE3-CG1 3.92Å; W130-I141 HydrophobicContact CH2-CG1 4.09Å; W130-I141 HydrophobicContact CZ3-CG1 3.64Å; W130-L187 WeakPolarHBondContact CH2-O 3.38Å; W130-Q188 VanDerWaalsContact CH2-C 3.46Å; W130-L189 HydrophobicContact CD2-CD1 3.43Å; W130-L189 VanDerWaalsContact CD2-CD1 3.43Å; W130-L189 HydrophobicContact CE3-CD1 3.82Å; W130-L189 HydrophobicContact CG-CD1 3.84Å; W130-L189 HydrophobicContact CH2-CB 4.23Å; W130-L189 HydrophobicContact CH2-CD1 4.12Å; W130-L189 HydrophobicContact CZ2-CB 4.23Å; W130-L189 HydrophobicContact CZ2-CD1 3.71Å; W130-L189 HydrophobicContact CZ3-CD1 4.16Å; W130-M192 HydrophobicContact CE3-CB 3.87Å; W130-M192 HydrophobicContact CE3-CE 4.37Å; W130-M192 HydrophobicContact CE3-CG 3.9Å; W130-M192 HydrophobicContact CE3-SD 3.48Å; W130-M192 HydrophobicContact CZ3-CB 3.49Å; W130-M192 VanDerWaalsContact CZ3-CB 3.49Å; W130-M192 HydrophobicContact CZ3-CG 4Å; W130-M192 HydrophobicContact CZ3-SD 3.7Å; W130-E256 PolarHBondContact NE1-OE2 3.19Å
131K94.7Very high94Very high80 Ų8051.6 Ų51.635%0.34823%0.231SC..Hα-helixtrans-63.1-22.1180-70.1-176-172.6179.90114.2M127 V129 E237M127-K131 WeakPolarHBondContact O-CB 3.32Å; M127-K131 WeakPolarHBondContact O-CG 3.4Å; M127-K131 PolarHBondContact O-N 3.49Å; V129-K131 PolarHBondContact O-N 2.84Å; K131-E237 HydrophobicContact CD-CG 4.16Å; K131-E237 WeakPolarHBondContact CD-OE1 3.21Å; K131-E237 IonicContact NZ-OE1 3.91Å; K131-E237 PolarHBondContact NZ-OE1 3.1Å
132R95.3Very high94.5Very high153 Ų15351.4 Ų51.458%0.57723%0.227SC*.Hα-helixtrans-75.5-32.6176177.8178.8177-167.3-4.1111.6R128 V129 W130 H152R128-R132 VanDerWaalsContact O-CB 3.28Å; R128-R132 WeakPolarHBondContact O-CB 3.34Å; R128-R132 PolarHBondContact O-N 3.38Å; R128-R132 VanDerWaalsContact O-N 3.11Å; V129-R132 WeakPolarHBondContact O-CB 3.36Å; V129-R132 PolarHBondContact O-N 2.84Å; V129-R132 VanDerWaalsContact O-N 3.12Å; W130-R132 PolarHBondContact O-N 3Å; W130-R132 VanDerWaalsContact O-N 3.12Å; R132-H152 PolarHBondContact NH1-NE2 3.32Å
133F95.9Very high94.8Very high13 Ų1353 Ų536%0.05724%0.241CC..Hα-helixtrans-97.5-29.7-176.7-75.7-78.1000113.6V129 W130 K135 I141 E145 F149 H152V129-F133 HydrophobicContact CG1-CD2 3.98Å; V129-F133 HydrophobicContact CG1-CE2 4.22Å; V129-F133 VanDerWaalsContact O-CD2 3.32Å; V129-F133 WeakPolarHBondContact O-CD2 3.39Å; V129-F133 PolarHBondContact O-N 3.2Å; V129-F133 VanDerWaalsContact O-N 3.16Å; W130-F133 PolarHBondContact O-N 2.8Å; F133-K135 VanDerWaalsContact C-N 3.28Å; F133-K135 PolarHBondContact O-N 2.62Å; F133-I141 HydrophobicContact CB-CD1 3.91Å; F133-E145 WeakPolarHBondContact O-CB 3.43Å; F133-E145 WeakPolarHBondContact O-CG 3.48Å; F133-E145 VanDerWaalsContact O-OE1 3.06Å; F133-F149 HydrophobicContact CB-CB 4.48Å; F133-F149 HydrophobicContact CD1-CB 3.69Å; F133-F149 HydrophobicContact CD2-CB 4.31Å; F133-F149 AromaticContact CD2-CD2 3.67Å; F133-F149 HydrophobicContact CD2-CD2 3.67Å; F133-F149 HydrophobicContact CD2-CG 4.44Å; F133-F149 VanDerWaalsContact CE1-CA 3.41Å; F133-F149 HydrophobicContact CE1-CB 3.98Å; F133-F149 AromaticContact CE2-CD2 3.76Å; F133-F149 HydrophobicContact CE2-CD2 3.76Å; F133-F149 HydrophobicContact CG-CB 3.89Å; F133-F149 HydrophobicContact CG-CD2 4.1Å; F133-F149 HydrophobicContact CG-CG 4.44Å; F133-F149 HydrophobicContact CZ-CB 4.42Å; F133-F149 HydrophobicContact CZ-CD2 4.24Å; F133-H152 HydrophobicContact CE1-CB 4.24Å; F133-H152 HydrophobicContact CE2-CB 4.45Å; F133-H152 AromaticContact CE2-CD2 3.64Å; F133-H152 HydrophobicContact CZ-CB 3.57Å; F133-H152 AromaticContact CZ-CD2 3.52Å; F133-H152 AromaticContact CZ-CG 3.74Å
134D96.4Very high95Very high9 Ų958.3 Ų58.35%0.04827%0.269CS..  trans-75.280.8164.7179.18.5000108.9W130 R137 S138 G139 I141W130-D134 PolarHBondContact O-N 2.78Å; D134-R137 WeakPolarHBondContact OD1-CA 3.12Å; D134-R137 PolarHBondContact OD1-N 3.08Å; D134-R137 WeakPolarHBondContact OD2-CA 3.45Å; D134-S138 PolarHBondContact OD1-N 3Å; D134-S138 PolarHBondContact OD1-OG 3.29Å; D134-S138 PolarHBondContact OD2-N 3.46Å; D134-G139 WeakPolarHBondContact OD2-CA 3.41Å; D134-G139 PolarHBondContact OD2-N 3.21Å; D134-I141 HydrophobicContact CB-CD1 3.7Å
135K93.2Very high95.2Very high140 Ų14059.1 Ų59.161%0.60927%0.273SS*.SBendtrans-75.7-34.4-169.4-73.2175-173.7162.10111.9F133 R137 E145F133-K135 VanDerWaalsContact C-N 3.28Å; F133-K135 PolarHBondContact O-N 2.62Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-E145 PolarHBondContact N-OE1 3.02Å
136D94.9Very high95.4Very high97 Ų9756 Ų5652%0.51926%0.258SS..SBendtrans-89.3-5.6-179.574.3-11.3000112.9S138D136-S138 VanDerWaalsContact C-N 3.28Å; D136-S138 WeakPolarHBondContact OD1-CB 3.33Å; D136-S138 PolarHBondContact OD1-N 2.97Å; D136-S138 PolarHBondContact OD1-OG 3.13Å; D136-S138 VanDerWaalsContact OD1-OG 3.13Å
137R93.6Very high95.5Very high218 Ų21858.1 Ų58.182%0.82327%0.267SS*.  trans61.740-179.4-53.9179.8-179.6-173.9-3.7110.9D134 K135 G139D134-R137 WeakPolarHBondContact OD1-CA 3.12Å; D134-R137 PolarHBondContact OD1-N 3.08Å; D134-R137 WeakPolarHBondContact OD2-CA 3.45Å; K135-R137 VanDerWaalsContact C-N 3.34Å; R137-G139 PolarHBondContact O-N 3.11Å
138S95.5Very high95.6Very high45 Ų4560.1 Ų60.132%0.31528%0.281SS..  trans-71.7-16.8176.164.10000112.2D134 D136 Y140D134-S138 PolarHBondContact OD1-N 3Å; D134-S138 PolarHBondContact OD1-OG 3.29Å; D134-S138 PolarHBondContact OD2-N 3.46Å; D136-S138 VanDerWaalsContact C-N 3.28Å; D136-S138 WeakPolarHBondContact OD1-CB 3.33Å; D136-S138 PolarHBondContact OD1-N 2.97Å; D136-S138 PolarHBondContact OD1-OG 3.13Å; D136-S138 VanDerWaalsContact OD1-OG 3.13Å; S138-Y140 VanDerWaalsContact C-N 3.32Å; S138-Y140 VanDerWaalsContact O-CD2 3.32Å; S138-Y140 WeakPolarHBondContact O-CD2 3.42Å; S138-Y140 PolarHBondContact OG-N 3.32Å; S138-Y140 PolarHBondContact OG-O 2.88Å; S138-Y140 VanDerWaalsContact OG-O 3.11Å
139G95.3Very high95.6Very high6 Ų655.5 Ų55.56%0.06226%0.264CS..SBendtrans82.711.8-172.600000113.1W130 D134 R137W130-G139 WeakPolarHBondContact CZ2-O 3.39Å; D134-G139 WeakPolarHBondContact OD2-CA 3.41Å; D134-G139 PolarHBondContact OD2-N 3.21Å; R137-G139 PolarHBondContact O-N 3.11Å
140Y97.3Very high95.6Very high42 Ų4254.8 Ų54.817%0.16526%0.259CS..SBendtrans-143.4160.1178.1-56.3-89.4000109.9S138 K186 L187 Q188 D255S138-Y140 VanDerWaalsContact C-N 3.32Å; S138-Y140 VanDerWaalsContact O-CD2 3.32Å; S138-Y140 WeakPolarHBondContact O-CD2 3.42Å; S138-Y140 PolarHBondContact OG-N 3.32Å; S138-Y140 PolarHBondContact OG-O 2.88Å; S138-Y140 VanDerWaalsContact OG-O 3.11Å; Y140-K186 HydrophobicContact CD1-CD 3.92Å; Y140-K186 HydrophobicContact CD1-CG 4.26Å; Y140-K186 HydrophobicContact CD2-CD 4.17Å; Y140-K186 HydrophobicContact CG-CD 3.62Å; Y140-K186 HydrophobicContact CG-CG 4.32Å; Y140-K186 VanDerWaalsContact CG-NZ 3.31Å; Y140-L187 CarbonylContact C-O 3.43Å; Y140-L187 WeakPolarHBondContact CA-O 3.47Å; Y140-Q188 HydrophobicContact CD1-CB 3.81Å; Y140-Q188 HydrophobicContact CE1-CB 3.83Å; Y140-D255 HydrophobicContact CE1-CB 4.41Å; Y140-D255 PolarHBondContact OH-OD2 3.15Å
141I97.7Very high95.5Very high0 Ų057.4 Ų57.40%027%0.273CS..EExtended strand (participates in β ladder)trans-102.6105.9169.8-60.7-62.3000108.9W130 F133 D134 E145 L146 K186 L187 M192W130-I141 HydrophobicContact CE3-CD1 4.45Å; W130-I141 HydrophobicContact CE3-CG1 3.92Å; W130-I141 HydrophobicContact CH2-CG1 4.09Å; W130-I141 HydrophobicContact CZ3-CG1 3.64Å; F133-I141 HydrophobicContact CB-CD1 3.91Å; D134-I141 HydrophobicContact CB-CD1 3.7Å; I141-E145 HydrophobicContact CG2-CB 3.86Å; I141-L146 HydrophobicContact CG2-CB 3.88Å; I141-K186 WeakPolarHBondContact O-CA 3.34Å; I141-K186 WeakPolarHBondContact O-CB 3.39Å; I141-L187 HydrophobicContact CB-CB 4.34Å; I141-L187 PolarHBondContact N-O 3.01Å; I141-L187 PolarHBondContact O-N 2.95Å; I141-M192 HydrophobicContact CB-SD 4.42Å; I141-M192 HydrophobicContact CD1-SD 4.47Å; I141-M192 HydrophobicContact CG1-SD 3.59Å; I141-M192 VanDerWaalsContact CG1-SD 3.59Å
142E96.8Very high95.4Very high93 Ų9355.5 Ų55.544%0.43527%0.266SS..EExtended strand (participates in β ladder)trans-73.1164.5177.8-61-172.3161.400111.8D144 E145 L146E142-D144 VanDerWaalsContact C-N 3.27Å; E142-D144 PolarHBondContact O-N 2.91Å; E142-D144 VanDerWaalsContact O-N 3.13Å; E142-E145 PolarHBondContact N-OE2 2.97Å; E142-E145 CarbonylContact O-C 3.53Å; E142-E145 WeakPolarHBondContact O-CA 3.41Å; E142-E145 WeakPolarHBondContact O-CB 3.3Å; E142-E145 PolarHBondContact O-N 2.87Å; E142-L146 WeakPolarHBondContact O-CB 3.44Å; E142-L146 PolarHBondContact O-N 2.74Å
143A96.2Very high95.1Very high41 Ų4150 Ų5034%0.33925%0.247SC..Hα-helixtrans-53.8-38-176.500000114.3K147 T172 L176A143-K147 VanDerWaalsContact O-CB 3.31Å; A143-K147 WeakPolarHBondContact O-CB 3.42Å; A143-K147 PolarHBondContact O-N 3.45Å; A143-T172 HydrophobicContact CB-CG2 4.31Å; A143-T172 VanDerWaalsContact O-CG2 3.3Å; A143-T172 WeakPolarHBondContact O-CG2 3.46Å; A143-L176 HydrophobicContact CB-CD1 4.15Å
144D95.8Very high94.9Very high110 Ų11049.4 Ų49.459%0.58825%0.245SC*.Hα-helixtrans-72.7-30.7178-85.5-36000113.2E142 K147 S148E142-D144 VanDerWaalsContact C-N 3.27Å; E142-D144 PolarHBondContact O-N 2.91Å; E142-D144 VanDerWaalsContact O-N 3.13Å; D144-K147 IonicContact OD1-NZ 3.14Å; D144-K147 PolarHBondContact OD1-NZ 2.87Å; D144-S148 PolarHBondContact O-N 3.4Å; D144-S148 PolarHBondContact O-OG 2.81Å
145E97.3Very high94.6Very high17 Ų1754 Ų548%0.07926%0.264CS..Hα-helixtrans-74.5-43.6174-65.2178.6136.200110.6F133 K135 I141 E142 K147 S148 F149F133-E145 WeakPolarHBondContact O-CB 3.43Å; F133-E145 WeakPolarHBondContact O-CG 3.48Å; F133-E145 VanDerWaalsContact O-OE1 3.06Å; K135-E145 PolarHBondContact N-OE1 3.02Å; I141-E145 HydrophobicContact CG2-CB 3.86Å; E142-E145 PolarHBondContact N-OE2 2.97Å; E142-E145 CarbonylContact O-C 3.53Å; E142-E145 WeakPolarHBondContact O-CA 3.41Å; E142-E145 WeakPolarHBondContact O-CB 3.3Å; E142-E145 PolarHBondContact O-N 2.87Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 2.82Å; E145-S148 CarbonylContact O-C 3.59Å; E145-S148 WeakPolarHBondContact O-CA 3.16Å; E145-S148 WeakPolarHBondContact O-CB 3.39Å; E145-S148 PolarHBondContact O-N 3.33Å; E145-F149 PolarHBondContact O-N 3.04Å
146L96.8Very high94.3Very high0 Ų053.6 Ų53.60%026%0.264CS..Hα-helixtrans-56.9-47.5172.8-179.857.4000110.7I141 E142 S148 F149 L150 T172 I175 L176 L187 L195I141-L146 HydrophobicContact CG2-CB 3.88Å; E142-L146 WeakPolarHBondContact O-CB 3.44Å; E142-L146 PolarHBondContact O-N 2.74Å; L146-S148 PolarHBondContact O-N 3.4Å; L146-F149 HydrophobicContact CD1-CD1 3.96Å; L146-F149 CarbonylContact O-C 3.58Å; L146-F149 WeakPolarHBondContact O-CA 3.42Å; L146-F149 WeakPolarHBondContact O-CB 3.46Å; L146-F149 PolarHBondContact O-N 2.93Å; L146-L150 HydrophobicContact CD1-CD1 4.43Å; L146-L150 HydrophobicContact CD1-CD2 4.05Å; L146-L150 HydrophobicContact CD1-CG 4.01Å; L146-L150 HydrophobicContact CG-CD1 4.27Å; L146-L150 HydrophobicContact CG-CG 4.25Å; L146-L150 WeakPolarHBondContact O-CG 3.49Å; L146-L150 PolarHBondContact O-N 3.15Å; L146-T172 HydrophobicContact CB-CG2 4.14Å; L146-T172 HydrophobicContact CD2-CG2 3.89Å; L146-T172 HydrophobicContact CG-CG2 4.01Å; L146-I175 HydrophobicContact CD1-CG2 4.18Å; L146-I175 HydrophobicContact CD2-CB 4.41Å; L146-I175 HydrophobicContact CD2-CG2 4.04Å; L146-L176 HydrophobicContact CD2-CD1 4.35Å; L146-L176 HydrophobicContact CD2-CD2 3.77Å; L146-L176 HydrophobicContact CD2-CG 3.62Å; L146-L187 HydrophobicContact CD1-CD1 3.85Å; L146-L187 HydrophobicContact CD2-CD1 4.14Å; L146-L187 HydrophobicContact CD2-CG 4.5Å; L146-L195 HydrophobicContact CD1-CD2 4.21Å
147K96.2Very high93.9Very high44 Ų4451 Ų5119%0.19126%0.257CS..Hα-helixtrans-54-43175-173.8-179.571.8-157.90112A143 D144 E145 L151 L168 I169 T172A143-K147 VanDerWaalsContact O-CB 3.31Å; A143-K147 WeakPolarHBondContact O-CB 3.42Å; A143-K147 PolarHBondContact O-N 3.45Å; D144-K147 IonicContact OD1-NZ 3.14Å; D144-K147 PolarHBondContact OD1-NZ 2.87Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 2.82Å; K147-L151 PolarHBondContact O-N 3.2Å; K147-L168 HydrophobicContact CD-CD2 4.32Å; K147-L168 HydrophobicContact CG-CD2 3.51Å; K147-L168 HydrophobicContact CG-CG 3.68Å; K147-I169 HydrophobicContact CD-CG1 4.26Å; K147-T172 WeakPolarHBondContact CA-OG1 3.41Å; K147-T172 HydrophobicContact CB-CG2 4.31Å; K147-T172 WeakPolarHBondContact CB-OG1 3.41Å
148S95.5Very high93.6Very high42 Ų4243.2 Ų43.229%0.29423%0.229SC..Hα-helixtrans-67.6-38.6176.9-58.30000112.1D144 E145 L146 H152D144-S148 PolarHBondContact O-N 3.4Å; D144-S148 PolarHBondContact O-OG 2.81Å; E145-S148 CarbonylContact O-C 3.59Å; E145-S148 WeakPolarHBondContact O-CA 3.16Å; E145-S148 WeakPolarHBondContact O-CB 3.39Å; E145-S148 PolarHBondContact O-N 3.33Å; L146-S148 PolarHBondContact O-N 3.4Å; S148-H152 PolarHBondContact O-N 3.42Å; S148-H152 VanDerWaalsContact O-N 3.12Å
149F94.3Very high93.2Very high0 Ų045.8 Ų45.80%024%0.244CC..Hα-helixtrans-65.6-48.6176.5170.1-108.4000112.2V129 F133 E145 L146 L151 H152 L153 M192 L195 L196V129-F149 HydrophobicContact CG1-CD2 4.14Å; V129-F149 HydrophobicContact CG1-CE2 3.65Å; F133-F149 HydrophobicContact CB-CB 4.48Å; F133-F149 HydrophobicContact CD1-CB 3.69Å; F133-F149 HydrophobicContact CD2-CB 4.31Å; F133-F149 AromaticContact CD2-CD2 3.67Å; F133-F149 HydrophobicContact CD2-CD2 3.67Å; F133-F149 HydrophobicContact CD2-CG 4.44Å; F133-F149 VanDerWaalsContact CE1-CA 3.41Å; F133-F149 HydrophobicContact CE1-CB 3.98Å; F133-F149 AromaticContact CE2-CD2 3.76Å; F133-F149 HydrophobicContact CE2-CD2 3.76Å; F133-F149 HydrophobicContact CG-CB 3.89Å; F133-F149 HydrophobicContact CG-CD2 4.1Å; F133-F149 HydrophobicContact CG-CG 4.44Å; F133-F149 HydrophobicContact CZ-CB 4.42Å; F133-F149 HydrophobicContact CZ-CD2 4.24Å; E145-F149 PolarHBondContact O-N 3.04Å; L146-F149 HydrophobicContact CD1-CD1 3.96Å; L146-F149 CarbonylContact O-C 3.58Å; L146-F149 WeakPolarHBondContact O-CA 3.42Å; L146-F149 WeakPolarHBondContact O-CB 3.46Å; L146-F149 PolarHBondContact O-N 2.93Å; F149-L151 VanDerWaalsContact C-N 3.28Å; F149-L151 PolarHBondContact O-N 3.01Å; F149-H152 WeakPolarHBondContact O-CA 3.4Å; F149-H152 WeakPolarHBondContact O-CB 3.41Å; F149-H152 PolarHBondContact O-N 3.26Å; F149-L153 HydrophobicContact CD1-CD1 4.2Å; F149-L153 HydrophobicContact CD2-CG 4.39Å; F149-L153 HydrophobicContact CE1-CD1 3.46Å; F149-L153 VanDerWaalsContact CE1-CD1 3.46Å; F149-L153 HydrophobicContact CE1-CG 4.05Å; F149-L153 HydrophobicContact CE2-CD1 4.12Å; F149-L153 HydrophobicContact CE2-CD2 3.87Å; F149-L153 HydrophobicContact CE2-CG 3.87Å; F149-L153 HydrophobicContact CZ-CD1 3.41Å; F149-L153 VanDerWaalsContact CZ-CD1 3.41Å; F149-L153 HydrophobicContact CZ-CD2 3.87Å; F149-L153 HydrophobicContact CZ-CG 3.69Å; F149-L153 PolarHBondContact O-N 2.98Å; F149-M192 HydrophobicContact CD1-CE 4.43Å; F149-M192 HydrophobicContact CD2-CE 4.06Å; F149-M192 HydrophobicContact CE1-CE 4.16Å; F149-M192 HydrophobicContact CE2-CE 3.78Å; F149-M192 HydrophobicContact CG-CE 4.37Å; F149-M192 HydrophobicContact CZ-CE 3.82Å; F149-L195 HydrophobicContact CE1-CD2 3.9Å; F149-L196 HydrophobicContact CE2-CD2 3.99Å; F149-L196 HydrophobicContact CZ-CB 4.39Å; F149-L196 HydrophobicContact CZ-CD1 4.15Å; F149-L196 HydrophobicContact CZ-CD2 3.76Å; F149-L196 HydrophobicContact CZ-CG 4.33Å
150L93.9Very high92.9Very high0 Ų052.2 Ų52.20%027%0.273CS..Hα-helixtrans-59.8-40.3177-61.9-176.7000111.4L113 L146 H152 L153 L154 L168 I175L113-L150 HydrophobicContact CD1-CD1 4.42Å; L113-L150 HydrophobicContact CD1-CD2 4.13Å; L113-L150 HydrophobicContact CD2-CB 4.29Å; L113-L150 HydrophobicContact CD2-CD2 3.91Å; L146-L150 HydrophobicContact CD1-CD1 4.43Å; L146-L150 HydrophobicContact CD1-CD2 4.05Å; L146-L150 HydrophobicContact CD1-CG 4.01Å; L146-L150 HydrophobicContact CG-CD1 4.27Å; L146-L150 HydrophobicContact CG-CG 4.25Å; L146-L150 WeakPolarHBondContact O-CG 3.49Å; L146-L150 PolarHBondContact O-N 3.15Å; L150-H152 VanDerWaalsContact C-N 3.29Å; L150-H152 PolarHBondContact O-N 3.15Å; L150-L153 PolarHBondContact O-N 2.79Å; L150-L154 WeakPolarHBondContact O-CB 3.34Å; L150-L154 WeakPolarHBondContact O-CD1 3.41Å; L150-L154 WeakPolarHBondContact O-CG 3.47Å; L150-L154 PolarHBondContact O-N 3.14Å; L150-L168 HydrophobicContact CB-CD1 4.24Å; L150-I175 HydrophobicContact CD1-CB 4.31Å; L150-I175 HydrophobicContact CD1-CG1 3.88Å; L150-I175 HydrophobicContact CD2-CG1 4.11Å
151L93.9Very high92.4Very high55 Ų5550.9 Ų50.929%0.28827%0.269SS..Hα-helixtrans-62.2-37.9174-177.762000112.2K147 F149 K155 L168K147-L151 PolarHBondContact O-N 3.2Å; F149-L151 VanDerWaalsContact C-N 3.28Å; F149-L151 PolarHBondContact O-N 3.01Å; L151-K155 WeakPolarHBondContact O-CG 3.49Å; L151-K155 PolarHBondContact O-N 3.24Å; L151-K155 VanDerWaalsContact O-N 3.14Å; L151-L168 HydrophobicContact CB-CD1 4.14Å; L151-L168 HydrophobicContact CB-CD2 3.95Å; L151-L168 HydrophobicContact CD1-CD2 4.49Å; L151-L168 HydrophobicContact CD2-CD2 4.4Å
152H91.7Very high92Very high41 Ų4158.4 Ų58.419%0.1931%0.309CS..Hα-helixtrans-64.9-49.7175.6178.446.1000111.2R132 F133 S148 F149 L150 L154 K155 E156R132-H152 PolarHBondContact NH1-NE2 3.32Å; F133-H152 HydrophobicContact CE1-CB 4.24Å; F133-H152 HydrophobicContact CE2-CB 4.45Å; F133-H152 AromaticContact CE2-CD2 3.64Å; F133-H152 HydrophobicContact CZ-CB 3.57Å; F133-H152 AromaticContact CZ-CD2 3.52Å; F133-H152 AromaticContact CZ-CG 3.74Å; S148-H152 PolarHBondContact O-N 3.42Å; S148-H152 VanDerWaalsContact O-N 3.12Å; F149-H152 WeakPolarHBondContact O-CA 3.4Å; F149-H152 WeakPolarHBondContact O-CB 3.41Å; F149-H152 PolarHBondContact O-N 3.26Å; L150-H152 VanDerWaalsContact C-N 3.29Å; L150-H152 PolarHBondContact O-N 3.15Å; H152-L154 VanDerWaalsContact C-N 3.29Å; H152-L154 PolarHBondContact O-N 3.49Å; H152-K155 PolarHBondContact O-N 2.99Å; H152-K155 VanDerWaalsContact O-N 3.14Å; H152-E156 VanDerWaalsContact CE1-CG 3.46Å; H152-E156 WeakPolarHBondContact CE1-CG 3.43Å; H152-E156 IonicContact CE1-OE1 2.77Å; H152-E156 PolarHBondContact CE1-OE1 3.47Å; H152-E156 VanDerWaalsContact CE1-OE1 3.31Å; H152-E156 IonicContact ND1-OE1 3.6Å; H152-E156 WeakPolarHBondContact O-CG 3.32Å; H152-E156 PolarHBondContact O-N 3.48Å
153L89.8Confident91.7Very high37 Ų3755.1 Ų55.119%0.19429%0.294CS..Hα-helixtrans-55.1-44.9177.2-70.2-174.4000112.1L113 F149 L150 K155 E156 A157 L196L113-L153 HydrophobicContact CD2-CB 4.14Å; L113-L153 HydrophobicContact CD2-CD1 4.25Å; F149-L153 HydrophobicContact CD1-CD1 4.2Å; F149-L153 HydrophobicContact CD2-CG 4.39Å; F149-L153 HydrophobicContact CE1-CD1 3.46Å; F149-L153 VanDerWaalsContact CE1-CD1 3.46Å; F149-L153 HydrophobicContact CE1-CG 4.05Å; F149-L153 HydrophobicContact CE2-CD1 4.12Å; F149-L153 HydrophobicContact CE2-CD2 3.87Å; F149-L153 HydrophobicContact CE2-CG 3.87Å; F149-L153 HydrophobicContact CZ-CD1 3.41Å; F149-L153 VanDerWaalsContact CZ-CD1 3.41Å; F149-L153 HydrophobicContact CZ-CD2 3.87Å; F149-L153 HydrophobicContact CZ-CG 3.69Å; F149-L153 PolarHBondContact O-N 2.98Å; L150-L153 PolarHBondContact O-N 2.79Å; L153-K155 VanDerWaalsContact C-N 3.31Å; L153-K155 PolarHBondContact O-N 3.16Å; L153-E156 PolarHBondContact O-N 3.13Å; L153-A157 WeakPolarHBondContact O-CB 3.44Å; L153-A157 PolarHBondContact O-N 3.45Å; L153-L196 HydrophobicContact CD1-CD1 4.5Å; L153-L196 HydrophobicContact CD2-CD1 4.05Å
154L91.2Very high91.6Very high0 Ų060.6 Ų60.60%031%0.313CS..Hα-helixtrans-66.9-34.6-178.6-67.5164.5000112.4N109 L112 L113 L150 H152 K158 I163 L168 Y171N109-L154 WeakPolarHBondContact O-CD2 3.39Å; L112-L154 HydrophobicContact CB-CD2 4.05Å; L113-L154 HydrophobicContact CD2-CD1 3.94Å; L113-L154 HydrophobicContact CD2-CD2 3.75Å; L113-L154 HydrophobicContact CD2-CG 3.64Å; L113-L154 HydrophobicContact CG-CD1 4.49Å; L113-L154 HydrophobicContact CG-CD2 4.06Å; L113-L154 HydrophobicContact CG-CG 4.4Å; L150-L154 WeakPolarHBondContact O-CB 3.34Å; L150-L154 WeakPolarHBondContact O-CD1 3.41Å; L150-L154 WeakPolarHBondContact O-CG 3.47Å; L150-L154 PolarHBondContact O-N 3.14Å; H152-L154 VanDerWaalsContact C-N 3.29Å; H152-L154 PolarHBondContact O-N 3.49Å; L154-K158 CarbonylContact O-C 3.53Å; L154-K158 PolarHBondContact O-N 3.35Å; L154-I163 HydrophobicContact CB-CD1 3.86Å; L154-I163 HydrophobicContact CD1-CD1 3.15Å; L154-I163 HydrophobicContact CD2-CD1 4.47Å; L154-I163 HydrophobicContact CG-CD1 3.96Å; L154-L168 HydrophobicContact CD1-CD1 4.43Å; L154-Y171 HydrophobicContact CD1-CD2 4Å; L154-Y171 HydrophobicContact CD1-CE2 4.15Å
155K90.2Very high91.6Very high105 Ų10561.8 Ų61.846%0.45732%0.315SS..Hα-helixtrans-74.6-32.2174.3-74.6-173.1177.5-172.70113.2L151 H152 L153 K158 P159L151-K155 WeakPolarHBondContact O-CG 3.49Å; L151-K155 PolarHBondContact O-N 3.24Å; L151-K155 VanDerWaalsContact O-N 3.14Å; H152-K155 PolarHBondContact O-N 2.99Å; H152-K155 VanDerWaalsContact O-N 3.14Å; L153-K155 VanDerWaalsContact C-N 3.31Å; L153-K155 PolarHBondContact O-N 3.16Å; K155-K158 CarbonylContact O-C 3.57Å; K155-P159 WeakPolarHBondContact O-CA 3.49Å
156E86.5Confident91.5Very high132 Ų13264.4 Ų64.462%0.61734%0.339SS*.Hα-helixtrans-67.9-44.1173.1-70.3-6412600110.7H152 L153H152-E156 VanDerWaalsContact CE1-CG 3.46Å; H152-E156 WeakPolarHBondContact CE1-CG 3.43Å; H152-E156 IonicContact CE1-OE1 2.77Å; H152-E156 PolarHBondContact CE1-OE1 3.47Å; H152-E156 VanDerWaalsContact CE1-OE1 3.31Å; H152-E156 IonicContact ND1-OE1 3.6Å; H152-E156 WeakPolarHBondContact O-CG 3.32Å; H152-E156 PolarHBondContact O-N 3.48Å; L153-E156 PolarHBondContact O-N 3.13Å
157A85.6Confident91.5Very high43 Ų4366.4 Ų66.436%0.35535%0.348SS..Hα-helixtrans-69.1-40.2178.600000112.7L112 L153L112-A157 HydrophobicContact CD2-CB 4.49Å; L153-A157 WeakPolarHBondContact O-CB 3.44Å; L153-A157 PolarHBondContact O-N 3.45Å
158K87.9Confident91.4Very high55 Ų5565 Ų6524%0.23934%0.342CS..  trans-146.390-175.7-172.7178.3-172.1172.20109.7E108 L112 L154 K155 E160 T161E108-K158 IonicContact OE1-NZ 3.91Å; E108-K158 PolarHBondContact OE1-NZ 3.16Å; E108-K158 IonicContact OE2-NZ 2.63Å; L112-K158 HydrophobicContact CD1-CB 4.33Å; L112-K158 HydrophobicContact CD1-CD 4.29Å; L154-K158 CarbonylContact O-C 3.53Å; L154-K158 PolarHBondContact O-N 3.35Å; K155-K158 CarbonylContact O-C 3.57Å; K158-E160 HydrophobicContact CG-CG 4.33Å; K158-E160 VanDerWaalsContact CG-OE1 3.31Å; K158-E160 WeakPolarHBondContact CG-OE1 3.47Å; K158-E160 PolarHBondContact O-N 3.08Å; K158-E160 VanDerWaalsContact O-N 3.13Å; K158-T161 WeakPolarHBondContact CB-OG1 3.16Å; K158-T161 WeakPolarHBondContact CD-OG1 3.46Å; K158-T161 WeakPolarHBondContact CG-OG1 3.29Å; K158-T161 VanDerWaalsContact O-CB 3.23Å; K158-T161 WeakPolarHBondContact O-CB 3.31Å; K158-T161 PolarHBondContact O-N 2.8Å; K158-T161 PolarHBondContact O-OG1 3.42Å
159P87.7Confident91.5Very high98 Ų9866.8 Ų66.864%0.63635%0.348SS*.THydrogen-bonded Turntrans-56.4-31.4-171-29.336.3000115.7K155 T161K155-P159 WeakPolarHBondContact O-CA 3.49Å; P159-T161 VanDerWaalsContact C-N 3.27Å; P159-T161 PolarHBondContact O-N 3.12Å
160E88.7Confident91.7Very high142 Ų14269.3 Ų69.366%0.66436%0.36SS*.THydrogen-bonded Turntrans-80.6-1.3177.865.1-81-177.100114.2K158 N162K158-E160 HydrophobicContact CG-CG 4.33Å; K158-E160 VanDerWaalsContact CG-OE1 3.31Å; K158-E160 WeakPolarHBondContact CG-OE1 3.47Å; K158-E160 PolarHBondContact O-N 3.08Å; K158-E160 VanDerWaalsContact O-N 3.13Å; E160-N162 PolarHBondContact O-N 3.2Å
161T86.5Confident91.8Very high13 Ų1369.5 Ų69.58%0.0836%0.361CS..  trans-66.1124.3-178.9-50.50000110.6K158 P159 I163K158-T161 WeakPolarHBondContact CB-OG1 3.16Å; K158-T161 WeakPolarHBondContact CD-OG1 3.46Å; K158-T161 WeakPolarHBondContact CG-OG1 3.29Å; K158-T161 VanDerWaalsContact O-CB 3.23Å; K158-T161 WeakPolarHBondContact O-CB 3.31Å; K158-T161 PolarHBondContact O-N 2.8Å; K158-T161 PolarHBondContact O-OG1 3.42Å; P159-T161 VanDerWaalsContact C-N 3.27Å; P159-T161 PolarHBondContact O-N 3.12Å; T161-I163 HydrophobicContact CG2-CD1 3.8Å; T161-I163 HydrophobicContact CG2-CG1 3.52Å
162N89.3Confident91.9Very high159 Ų15967.2 Ų67.285%0.8535%0.349SS*.  trans-115.1116172.5-151.63.6000108.3E160E160-N162 PolarHBondContact O-N 3.2Å
163I91.1Very high92.2Very high23 Ų2368.1 Ų68.112%0.11836%0.36CS..  trans-115.4126.2-173.7-54.6-176.6000108L154 T161 K167 L168 Y171L154-I163 HydrophobicContact CB-CD1 3.86Å; L154-I163 HydrophobicContact CD1-CD1 3.15Å; L154-I163 HydrophobicContact CD2-CD1 4.47Å; L154-I163 HydrophobicContact CG-CD1 3.96Å; T161-I163 HydrophobicContact CG2-CD1 3.8Å; T161-I163 HydrophobicContact CG2-CG1 3.52Å; I163-K167 HydrophobicContact CG2-CB 3.99Å; I163-K167 HydrophobicContact CG2-CG 4.33Å; I163-L168 HydrophobicContact CG2-CB 4.18Å; I163-Y171 HydrophobicContact CD1-CE2 4.41Å
164E94.2Very high92.5Very high157 Ų15766.4 Ų66.473%0.73435%0.351SS*.  trans-64.5143.1173.5-63.3-175.917900110.5A166 K167 L168E164-A166 VanDerWaalsContact C-N 3.26Å; E164-A166 PolarHBondContact O-N 3.26Å; E164-K167 WeakPolarHBondContact O-CB 3.37Å; E164-K167 PolarHBondContact O-N 3.4Å; E164-L168 PolarHBondContact O-N 3.08Å; E164-L168 VanDerWaalsContact O-N 3.08Å
165E95Very high92.7Very high134 Ų13466.4 Ų66.463%0.62635%0.351SS*.Hα-helixtrans-56.1-40.6-177.1-177.7172.2-166.400112.6K167 L168 I169E165-K167 PolarHBondContact O-N 2.96Å; E165-L168 PolarHBondContact O-N 3.1Å; E165-I169 HydrophobicContact CG-CD1 4.11Å; E165-I169 WeakPolarHBondContact O-CG1 3.4Å; E165-I169 PolarHBondContact O-N 2.86Å
166A96.1Very high93Very high72 Ų7262.5 Ų62.560%0.59534%0.335SS*.Hα-helixtrans-58.3-37.6176.500000112.4E164 I169 E170E164-A166 VanDerWaalsContact C-N 3.26Å; E164-A166 PolarHBondContact O-N 3.26Å; A166-I169 PolarHBondContact O-N 3.48Å; A166-E170 PolarHBondContact O-N 2.99Å; A166-E170 VanDerWaalsContact O-N 3.07Å
167K95.5Very high93.4Very high43 Ų4361.6 Ų61.619%0.18733%0.331CS..Hα-helixtrans-74.9-35.9179.7-165.652.3164.2168.20112E107 I163 E164 E165 I169 E170 Y171E107-K167 WeakPolarHBondContact OE1-CE 3.41Å; E107-K167 IonicContact OE1-NZ 2.67Å; E107-K167 PolarHBondContact OE1-NZ 3.48Å; E107-K167 WeakPolarHBondContact OE2-CE 3.32Å; E107-K167 IonicContact OE2-NZ 3.97Å; E107-K167 PolarHBondContact OE2-NZ 3.35Å; I163-K167 HydrophobicContact CG2-CB 3.99Å; I163-K167 HydrophobicContact CG2-CG 4.33Å; E164-K167 WeakPolarHBondContact O-CB 3.37Å; E164-K167 PolarHBondContact O-N 3.4Å; E165-K167 PolarHBondContact O-N 2.96Å; K167-I169 VanDerWaalsContact C-N 3.32Å; K167-E170 HydrophobicContact CD-CB 4.37Å; K167-E170 WeakPolarHBondContact CD-OE2 3.23Å; K167-E170 IonicContact NZ-OE1 2.75Å; K167-E170 PolarHBondContact NZ-OE1 3.11Å; K167-E170 IonicContact NZ-OE2 2.99Å; K167-E170 PolarHBondContact NZ-OE2 2.64Å; K167-E170 WeakPolarHBondContact O-CB 3.49Å; K167-E170 PolarHBondContact O-N 2.95Å; K167-Y171 HydrophobicContact CD-CD1 4.43Å; K167-Y171 HydrophobicContact CD-CE1 3.74Å; K167-Y171 VanDerWaalsContact CE-CE1 3.44Å; K167-Y171 WeakPolarHBondContact CE-OH 3.46Å; K167-Y171 HydrophobicContact CG-CE1 3.84Å; K167-Y171 HydrophobicContact CG-CE2 4.28Å; K167-Y171 WeakPolarHBondContact O-CD1 3.41Å; K167-Y171 PolarHBondContact O-N 2.98Å
168L95.9Very high93.8Very high13 Ų1360.5 Ų60.57%0.06832%0.319CS..Hα-helixtrans-66.3-35.9174-165.468.3000111.8K147 L150 L151 L154 I163 E164 E165 Y171 T172K147-L168 HydrophobicContact CD-CD2 4.32Å; K147-L168 HydrophobicContact CG-CD2 3.51Å; K147-L168 HydrophobicContact CG-CG 3.68Å; L150-L168 HydrophobicContact CB-CD1 4.24Å; L151-L168 HydrophobicContact CB-CD1 4.14Å; L151-L168 HydrophobicContact CB-CD2 3.95Å; L151-L168 HydrophobicContact CD1-CD2 4.49Å; L151-L168 HydrophobicContact CD2-CD2 4.4Å; L154-L168 HydrophobicContact CD1-CD1 4.43Å; I163-L168 HydrophobicContact CG2-CB 4.18Å; E164-L168 PolarHBondContact O-N 3.08Å; E164-L168 VanDerWaalsContact O-N 3.08Å; E165-L168 PolarHBondContact O-N 3.1Å; L168-Y171 PolarHBondContact O-N 3.27Å; L168-T172 WeakPolarHBondContact O-CB 3.14Å; L168-T172 PolarHBondContact O-N 3.42Å; L168-T172 PolarHBondContact O-OG1 3.38Å
169I97Very high94.1Very high81 Ų8158.7 Ų58.742%0.41531%0.311SS..Hα-helixtrans-63.3-45.7171.4-67.7165.6000110.3K147 E165 A166 K167 Y171 T172 S173K147-I169 HydrophobicContact CD-CG1 4.26Å; E165-I169 HydrophobicContact CG-CD1 4.11Å; E165-I169 WeakPolarHBondContact O-CG1 3.4Å; E165-I169 PolarHBondContact O-N 2.86Å; A166-I169 PolarHBondContact O-N 3.48Å; K167-I169 VanDerWaalsContact C-N 3.32Å; I169-Y171 VanDerWaalsContact C-N 3.32Å; I169-Y171 PolarHBondContact O-N 3.31Å; I169-T172 WeakPolarHBondContact O-CB 3.22Å; I169-T172 PolarHBondContact O-N 3.33Å; I169-S173 PolarHBondContact O-N 2.88Å; I169-S173 PolarHBondContact O-OG 3.16Å
170E97.1Very high94.4Very high53 Ų5354.8 Ų54.825%0.24829%0.285CS..Hα-helixtrans-57.4-44.2175.4-172.3-169.7154.100111.8T26 A166 K167 S173 S174T26-E170 WeakPolarHBondContact CB-OE1 3.27Å; T26-E170 PolarHBondContact OG1-OE1 3.31Å; A166-E170 PolarHBondContact O-N 2.99Å; A166-E170 VanDerWaalsContact O-N 3.07Å; K167-E170 HydrophobicContact CD-CB 4.37Å; K167-E170 WeakPolarHBondContact CD-OE2 3.23Å; K167-E170 IonicContact NZ-OE1 2.75Å; K167-E170 PolarHBondContact NZ-OE1 3.11Å; K167-E170 IonicContact NZ-OE2 2.99Å; K167-E170 PolarHBondContact NZ-OE2 2.64Å; K167-E170 WeakPolarHBondContact O-CB 3.49Å; K167-E170 PolarHBondContact O-N 2.95Å; E170-S173 PolarHBondContact O-N 3.4Å; E170-S174 VanDerWaalsContact O-CB 3.31Å; E170-S174 WeakPolarHBondContact O-CB 3.32Å; E170-S174 PolarHBondContact O-N 3.2Å; E170-S174 PolarHBondContact O-OG 3.28Å
171Y96.7Very high94.5Very high4 Ų452.4 Ų52.42%0.01627%0.274CS..Hα-helixtrans-63.1-43.8176.3-65-8.1000111.7A27 E107 N109 F110 L113 L154 I163 K167 L168 I169 S173 S174 I175A27-Y171 HydrophobicContact CB-CD1 3.8Å; A27-Y171 HydrophobicContact CB-CE1 4.01Å; E107-Y171 HydrophobicContact CG-CE1 4.34Å; E107-Y171 WeakPolarHBondContact OE1-CE1 3.44Å; N109-Y171 HydrophobicContact CB-CE2 4.04Å; N109-Y171 WeakPolarHBondContact CB-OH 3.47Å; F110-Y171 HydrophobicContact CB-CD1 4.37Å; F110-Y171 HydrophobicContact CB-CE1 3.92Å; F110-Y171 AromaticContact CD2-CD1 3.76Å; F110-Y171 HydrophobicContact CD2-CD1 3.76Å; F110-Y171 HydrophobicContact CD2-CE1 4.17Å; F110-Y171 HydrophobicContact CD2-CG 4.13Å; F110-Y171 HydrophobicContact CG-CD1 4.44Å; F110-Y171 HydrophobicContact CG-CE1 4.42Å; L113-Y171 HydrophobicContact CD1-CD2 4.24Å; L113-Y171 HydrophobicContact CD1-CG 4.39Å; L154-Y171 HydrophobicContact CD1-CD2 4Å; L154-Y171 HydrophobicContact CD1-CE2 4.15Å; I163-Y171 HydrophobicContact CD1-CE2 4.41Å; K167-Y171 HydrophobicContact CD-CD1 4.43Å; K167-Y171 HydrophobicContact CD-CE1 3.74Å; K167-Y171 VanDerWaalsContact CE-CE1 3.44Å; K167-Y171 WeakPolarHBondContact CE-OH 3.46Å; K167-Y171 HydrophobicContact CG-CE1 3.84Å; K167-Y171 HydrophobicContact CG-CE2 4.28Å; K167-Y171 WeakPolarHBondContact O-CD1 3.41Å; K167-Y171 PolarHBondContact O-N 2.98Å; L168-Y171 PolarHBondContact O-N 3.27Å; I169-Y171 VanDerWaalsContact C-N 3.32Å; I169-Y171 PolarHBondContact O-N 3.31Å; Y171-S173 PolarHBondContact O-N 3.08Å; Y171-S174 PolarHBondContact O-N 2.94Å; Y171-I175 WeakPolarHBondContact O-CB 3.45Å; Y171-I175 VanDerWaalsContact O-CG1 3.25Å; Y171-I175 WeakPolarHBondContact O-CG1 3.36Å; Y171-I175 PolarHBondContact O-N 3Å
172T96.8Very high94.7Very high7 Ų755.4 Ų55.44%0.04329%0.289CS..Hα-helixtrans-58.5-49177.9-54.50000110.8A143 L146 K147 L168 I169 S174 I175 L176A143-T172 HydrophobicContact CB-CG2 4.31Å; A143-T172 VanDerWaalsContact O-CG2 3.3Å; A143-T172 WeakPolarHBondContact O-CG2 3.46Å; L146-T172 HydrophobicContact CB-CG2 4.14Å; L146-T172 HydrophobicContact CD2-CG2 3.89Å; L146-T172 HydrophobicContact CG-CG2 4.01Å; K147-T172 WeakPolarHBondContact CA-OG1 3.41Å; K147-T172 HydrophobicContact CB-CG2 4.31Å; K147-T172 WeakPolarHBondContact CB-OG1 3.41Å; L168-T172 WeakPolarHBondContact O-CB 3.14Å; L168-T172 PolarHBondContact O-N 3.42Å; L168-T172 PolarHBondContact O-OG1 3.38Å; I169-T172 WeakPolarHBondContact O-CB 3.22Å; I169-T172 PolarHBondContact O-N 3.33Å; T172-S174 VanDerWaalsContact C-N 3.3Å; T172-S174 PolarHBondContact O-N 2.97Å; T172-I175 PolarHBondContact O-N 3.14Å; T172-L176 HydrophobicContact CG2-CD1 4.45Å; T172-L176 WeakPolarHBondContact O-CG 3.36Å; T172-L176 PolarHBondContact O-N 3.12Å
173S96.9Very high94.9Very high59 Ų5956.5 Ų56.541%0.41329%0.287SS..Hα-helixtrans-66-32177.8-600000113.3I169 E170 Y171 Q177I169-S173 PolarHBondContact O-N 2.88Å; I169-S173 PolarHBondContact O-OG 3.16Å; E170-S173 PolarHBondContact O-N 3.4Å; Y171-S173 PolarHBondContact O-N 3.08Å; S173-Q177 WeakPolarHBondContact O-CG 3.23Å; S173-Q177 PolarHBondContact O-N 3.12Å; S173-Q177 PolarHBondContact O-NE2 3.49Å; S173-Q177 VanDerWaalsContact O-NE2 3.1Å
174S96.4Very high95.1Very high2 Ų258.9 Ų58.91%0.01430%0.299CS..Hα-helixtrans-73-43.1177.5-58.80000111.2A27 E170 Y171 T172 Q177 L178A27-S174 WeakPolarHBondContact CB-OG 3.39Å; E170-S174 VanDerWaalsContact O-CB 3.31Å; E170-S174 WeakPolarHBondContact O-CB 3.32Å; E170-S174 PolarHBondContact O-N 3.2Å; E170-S174 PolarHBondContact O-OG 3.28Å; Y171-S174 PolarHBondContact O-N 2.94Å; T172-S174 VanDerWaalsContact C-N 3.3Å; T172-S174 PolarHBondContact O-N 2.97Å; S174-Q177 PolarHBondContact O-N 2.94Å; S174-L178 WeakPolarHBondContact O-CG 3.14Å; S174-L178 PolarHBondContact O-N 3.47Å
175I95.7Very high95.2Very high0 Ų053.2 Ų53.20%028%0.283CS..Hα-helixtrans-65.1-42.9176.8-68-63.7000111.2F110 L113 F114 L146 L150 Y171 T172 Q177 L178 F179 L195F110-I175 HydrophobicContact CE2-CD1 4.03Å; F110-I175 HydrophobicContact CE2-CG1 4.29Å; F110-I175 HydrophobicContact CZ-CD1 4.49Å; L113-I175 HydrophobicContact CD1-CD1 4.21Å; L113-I175 HydrophobicContact CD1-CG1 4.22Å; F114-I175 HydrophobicContact CE1-CD1 3.48Å; F114-I175 VanDerWaalsContact CE1-CD1 3.48Å; F114-I175 HydrophobicContact CZ-CD1 3.49Å; F114-I175 VanDerWaalsContact CZ-CD1 3.49Å; L146-I175 HydrophobicContact CD1-CG2 4.18Å; L146-I175 HydrophobicContact CD2-CB 4.41Å; L146-I175 HydrophobicContact CD2-CG2 4.04Å; L150-I175 HydrophobicContact CD1-CB 4.31Å; L150-I175 HydrophobicContact CD1-CG1 3.88Å; L150-I175 HydrophobicContact CD2-CG1 4.11Å; Y171-I175 WeakPolarHBondContact O-CB 3.45Å; Y171-I175 VanDerWaalsContact O-CG1 3.25Å; Y171-I175 WeakPolarHBondContact O-CG1 3.36Å; Y171-I175 PolarHBondContact O-N 3Å; T172-I175 PolarHBondContact O-N 3.14Å; I175-Q177 VanDerWaalsContact C-N 3.33Å; I175-Q177 PolarHBondContact O-N 2.88Å; I175-L178 PolarHBondContact O-N 3.01Å; I175-L178 VanDerWaalsContact O-N 3.12Å; I175-F179 HydrophobicContact CD1-CE2 4.47Å; I175-F179 HydrophobicContact CG2-CD2 4.11Å; I175-F179 WeakPolarHBondContact O-CD2 3.23Å; I175-F179 PolarHBondContact O-N 3.16Å; I175-L195 HydrophobicContact CD1-CD1 4.03Å; I175-L195 HydrophobicContact CG2-CD1 4.04Å; I175-L195 HydrophobicContact CG2-CD2 3.63Å; I175-L195 HydrophobicContact CG2-CG 4.48Å
176L96Very high95.3Very high22 Ų2249.2 Ų49.212%0.11526%0.264CS..Hα-helixtrans-57.6-47.5173.5-74.8169.6000110.8A143 L146 T172 L178 F179 D180 L187A143-L176 HydrophobicContact CB-CD1 4.15Å; L146-L176 HydrophobicContact CD2-CD1 4.35Å; L146-L176 HydrophobicContact CD2-CD2 3.77Å; L146-L176 HydrophobicContact CD2-CG 3.62Å; T172-L176 HydrophobicContact CG2-CD1 4.45Å; T172-L176 WeakPolarHBondContact O-CG 3.36Å; T172-L176 PolarHBondContact O-N 3.12Å; L176-L178 PolarHBondContact O-N 2.86Å; L176-F179 PolarHBondContact O-N 3.39Å; L176-D180 HydrophobicContact CB-CB 4.44Å; L176-D180 HydrophobicContact CD2-CB 4.15Å; L176-D180 WeakPolarHBondContact O-CA 3.46Å; L176-D180 WeakPolarHBondContact O-CB 3.26Å; L176-D180 PolarHBondContact O-N 2.99Å; L176-L187 HydrophobicContact CD2-CD2 4.01Å; L176-L187 HydrophobicContact CD2-CG 4.07Å
177Q94.6Very high95.3Very high114 Ų11445.8 Ų45.853%0.53324%0.235SC..Hα-helixtrans-60.4-22.5178.6-79.5174.875.200115.1V31 S173 S174 I175V31-Q177 HydrophobicContact CG1-CB 3.68Å; S173-Q177 WeakPolarHBondContact O-CG 3.23Å; S173-Q177 PolarHBondContact O-N 3.12Å; S173-Q177 PolarHBondContact O-NE2 3.49Å; S173-Q177 VanDerWaalsContact O-NE2 3.1Å; S174-Q177 PolarHBondContact O-N 2.94Å; I175-Q177 VanDerWaalsContact C-N 3.33Å; I175-Q177 PolarHBondContact O-N 2.88Å
178L94.1Very high95.4Very high19 Ų1944.3 Ų44.310%0.09923%0.229CC..Hα-helixtrans-90.9-34.8178.2-71170.7000113V31 W34 L97 F110 F114 S174 I175 L176V31-L178 HydrophobicContact CB-CD2 4.4Å; V31-L178 HydrophobicContact CB-CG 4.46Å; V31-L178 HydrophobicContact CG1-CD2 4.08Å; V31-L178 HydrophobicContact CG1-CG 4.15Å; V31-L178 HydrophobicContact CG2-CD1 3.65Å; V31-L178 HydrophobicContact CG2-CD2 3.97Å; V31-L178 HydrophobicContact CG2-CG 3.63Å; W34-L178 HydrophobicContact CB-CD2 4.13Å; W34-L178 VanDerWaalsContact CD1-CD2 3.48Å; W34-L178 HydrophobicContact CG-CD2 3.81Å; L97-L178 HydrophobicContact CD1-CD1 4.19Å; L97-L178 HydrophobicContact CD1-CD2 3.83Å; L97-L178 HydrophobicContact CD2-CD1 4Å; F110-L178 HydrophobicContact CZ-CD1 4.17Å; F114-L178 HydrophobicContact CE1-CD1 4.26Å; F114-L178 HydrophobicContact CZ-CD1 3.8Å; S174-L178 WeakPolarHBondContact O-CG 3.14Å; S174-L178 PolarHBondContact O-N 3.47Å; I175-L178 PolarHBondContact O-N 3.01Å; I175-L178 VanDerWaalsContact O-N 3.12Å; L176-L178 PolarHBondContact O-N 2.86Å
179F93.8Very high95.4Very high17 Ų1743.7 Ų43.78%0.07523%0.226CC..Hα-helixtrans-115.1-25.4-168.6-68.8-87000114.4L97 F114 I175 L176 Q181 L187 E191 R194 L195L97-F179 HydrophobicContact CD2-CE2 3.75Å; L97-F179 HydrophobicContact CD2-CZ 3.59Å; F114-F179 AromaticContact CE1-CE2 3.86Å; F114-F179 HydrophobicContact CE1-CE2 3.86Å; F114-F179 HydrophobicContact CE1-CZ 4.32Å; I175-F179 HydrophobicContact CD1-CE2 4.47Å; I175-F179 HydrophobicContact CG2-CD2 4.11Å; I175-F179 WeakPolarHBondContact O-CD2 3.23Å; I175-F179 PolarHBondContact O-N 3.16Å; L176-F179 PolarHBondContact O-N 3.39Å; F179-Q181 PolarHBondContact O-N 3.47Å; F179-L187 HydrophobicContact CB-CD2 3.83Å; F179-E191 WeakPolarHBondContact O-CB 3.31Å; F179-E191 WeakPolarHBondContact O-CG 3.11Å; F179-R194 HydrophobicContact CD1-CB 3.83Å; F179-R194 HydrophobicContact CE1-CB 3.89Å; F179-R194 PolarHBondContact O-NH2 2.84Å; F179-L195 HydrophobicContact CD1-CB 3.91Å; F179-L195 HydrophobicContact CD2-CB 4.37Å; F179-L195 HydrophobicContact CD2-CD1 3.97Å; F179-L195 HydrophobicContact CE1-CB 4.04Å; F179-L195 HydrophobicContact CE2-CD1 3.69Å; F179-L195 HydrophobicContact CG-CB 4.08Å; F179-L195 HydrophobicContact CZ-CB 4.34Å; F179-L195 HydrophobicContact CZ-CD1 3.98Å
180D94.6Very high95.2Very high17 Ų1740.1 Ų40.19%0.09121%0.208CC..  trans-76.987.9173.31759.3000109.4L176 N182 K183 D184 G185 L187 E191L176-D180 HydrophobicContact CB-CB 4.44Å; L176-D180 HydrophobicContact CD2-CB 4.15Å; L176-D180 WeakPolarHBondContact O-CA 3.46Å; L176-D180 WeakPolarHBondContact O-CB 3.26Å; L176-D180 PolarHBondContact O-N 2.99Å; D180-N182 PolarHBondContact OD1-OD1 3.44Å; D180-K183 WeakPolarHBondContact OD1-CA 3.47Å; D180-K183 PolarHBondContact OD1-N 2.9Å; D180-K183 WeakPolarHBondContact OD2-CA 3.26Å; D180-D184 PolarHBondContact OD1-N 3.12Å; D180-D184 PolarHBondContact OD2-N 3.38Å; D180-G185 VanDerWaalsContact OD2-CA 3.29Å; D180-G185 WeakPolarHBondContact OD2-CA 3.18Å; D180-G185 PolarHBondContact OD2-N 2.88Å; D180-L187 HydrophobicContact CB-CD2 4.12Å; D180-E191 WeakPolarHBondContact CA-OE1 3.1Å
181Q90.5Very high95.1Very high92 Ų9237.6 Ų37.643%0.4320%0.196SC..SBendtrans-72.3-37.3-177.7-82.8176.1-15.400111.2F179 K183 E191F179-Q181 PolarHBondContact O-N 3.47Å; Q181-K183 VanDerWaalsContact C-N 3.29Å; Q181-E191 PolarHBondContact N-OE1 2.97Å
182N92Very high94.9Very high76 Ų7637.4 Ų37.441%0.40620%0.195SC..SBendtrans-80.4-12.6-177.87724.4000112.8D180 D184 E191D180-N182 PolarHBondContact OD1-OD1 3.44Å; N182-D184 PolarHBondContact ND2-OD2 3.48Å; N182-D184 WeakPolarHBondContact OD1-CB 3.35Å; N182-D184 PolarHBondContact OD1-N 3.48Å; N182-D184 PolarHBondContact OD1-OD1 2.9Å; N182-D184 PolarHBondContact OD1-OD2 2.91Å; N182-E191 PolarHBondContact N-OE1 3.03Å
183K92.9Very high94.6Very high182 Ų18237.6 Ų37.679%0.79120%0.198SC*.  trans63.934.3176.8-55.9-177.1-178.8179.90113.8D180 Q181 G185D180-K183 WeakPolarHBondContact OD1-CA 3.47Å; D180-K183 PolarHBondContact OD1-N 2.9Å; D180-K183 WeakPolarHBondContact OD2-CA 3.26Å; Q181-K183 VanDerWaalsContact C-N 3.29Å; K183-G185 VanDerWaalsContact C-N 3.35Å
184D95.4Very high94.3Very high72 Ų7239.1 Ų39.139%0.38520%0.195SC..SBendtrans-88-3.7178.274.62.9000113.7D180 N182 K186D180-D184 PolarHBondContact OD1-N 3.12Å; D180-D184 PolarHBondContact OD2-N 3.38Å; N182-D184 PolarHBondContact ND2-OD2 3.48Å; N182-D184 WeakPolarHBondContact OD1-CB 3.35Å; N182-D184 PolarHBondContact OD1-N 3.48Å; N182-D184 PolarHBondContact OD1-OD1 2.9Å; N182-D184 PolarHBondContact OD1-OD2 2.91Å; D184-K186 VanDerWaalsContact CG-CG 3.45Å; D184-K186 WeakPolarHBondContact OD1-CG 3.03Å; D184-K186 PolarHBondContact OD1-N 3.17Å; D184-K186 WeakPolarHBondContact OD2-CE 3.2Å; D184-K186 IonicContact OD2-NZ 2.82Å
185G95.6Very high93.9Very high38 Ų3839.4 Ų39.439%0.39220%0.196SC..SBendtrans86.59.5175.600000114.5D180 K183D180-G185 VanDerWaalsContact OD2-CA 3.29Å; D180-G185 WeakPolarHBondContact OD2-CA 3.18Å; D180-G185 PolarHBondContact OD2-N 2.88Å; K183-G185 VanDerWaalsContact C-N 3.35Å
186K96.6Very high93.5Very high51 Ų5140.1 Ų40.122%0.22220%0.2CC..EExtended strand (participates in β ladder)trans-137.3168.6177.952.1-176.7-171.2163.20108.9Y140 I141 D184Y140-K186 HydrophobicContact CD1-CD 3.92Å; Y140-K186 HydrophobicContact CD1-CG 4.26Å; Y140-K186 HydrophobicContact CD2-CD 4.17Å; Y140-K186 HydrophobicContact CG-CD 3.62Å; Y140-K186 HydrophobicContact CG-CG 4.32Å; Y140-K186 VanDerWaalsContact CG-NZ 3.31Å; I141-K186 WeakPolarHBondContact O-CA 3.34Å; I141-K186 WeakPolarHBondContact O-CB 3.39Å; D184-K186 VanDerWaalsContact CG-CG 3.45Å; D184-K186 WeakPolarHBondContact OD1-CG 3.03Å; D184-K186 PolarHBondContact OD1-N 3.17Å; D184-K186 WeakPolarHBondContact OD2-CE 3.2Å; D184-K186 IonicContact OD2-NZ 2.82Å
187L97.4Very high93Very high0 Ų041 Ų410%021%0.206CC..EExtended strand (participates in β ladder)trans-105.2125.5175.1-61178.9000109.9W130 Y140 I141 L146 L176 F179 D180 E191 M192 L195W130-L187 WeakPolarHBondContact CH2-O 3.38Å; Y140-L187 CarbonylContact C-O 3.43Å; Y140-L187 WeakPolarHBondContact CA-O 3.47Å; I141-L187 HydrophobicContact CB-CB 4.34Å; I141-L187 PolarHBondContact N-O 3.01Å; I141-L187 PolarHBondContact O-N 2.95Å; L146-L187 HydrophobicContact CD1-CD1 3.85Å; L146-L187 HydrophobicContact CD2-CD1 4.14Å; L146-L187 HydrophobicContact CD2-CG 4.5Å; L176-L187 HydrophobicContact CD2-CD2 4.01Å; L176-L187 HydrophobicContact CD2-CG 4.07Å; F179-L187 HydrophobicContact CB-CD2 3.83Å; D180-L187 HydrophobicContact CB-CD2 4.12Å; L187-E191 WeakPolarHBondContact CA-OE2 3.32Å; L187-E191 HydrophobicContact CB-CB 4.42Å; L187-E191 HydrophobicContact CD2-CB 4.08Å; L187-M192 HydrophobicContact CB-CB 4.49Å; L187-L195 HydrophobicContact CD1-CD2 3.96Å
188Q96.9Very high92.6Very high12 Ų1236.8 Ų36.86%0.05619%0.189CC..  trans-82.8175.7166.177.6-166.8-8.400111.4W130 Y140 S190 E191 M192 D253 D255W130-Q188 VanDerWaalsContact CH2-C 3.46Å; Y140-Q188 HydrophobicContact CD1-CB 3.81Å; Y140-Q188 HydrophobicContact CE1-CB 3.83Å; Q188-S190 PolarHBondContact NE2-OG 3.01Å; Q188-S190 VanDerWaalsContact NE2-OG 3.12Å; Q188-S190 PolarHBondContact O-N 3.33Å; Q188-E191 HydrophobicContact CG-CB 4.29Å; Q188-E191 HydrophobicContact CG-CG 3.76Å; Q188-E191 WeakPolarHBondContact CG-OE2 3.43Å; Q188-E191 PolarHBondContact N-OE2 2.86Å; Q188-E191 PolarHBondContact O-N 3.18Å; Q188-M192 PolarHBondContact O-N 2.7Å; Q188-D253 PolarHBondContact NE2-OD1 2.89Å; Q188-D255 HydrophobicContact CB-CB 4.16Å
189L95.3Very high92Very high0 Ų041.7 Ų41.70%021%0.209CC..Hα-helixtrans-59.7-45.9-170.8-163.173.5000112.9F126 M127 W130 A193 Y254 L259F126-L189 HydrophobicContact CE1-CD1 3.9Å; F126-L189 HydrophobicContact CE1-CG 4.4Å; M127-L189 HydrophobicContact CE-CD1 4.14Å; M127-L189 HydrophobicContact SD-CD1 3.98Å; M127-L189 HydrophobicContact SD-CD2 4.45Å; W130-L189 HydrophobicContact CD2-CD1 3.43Å; W130-L189 VanDerWaalsContact CD2-CD1 3.43Å; W130-L189 HydrophobicContact CE3-CD1 3.82Å; W130-L189 HydrophobicContact CG-CD1 3.84Å; W130-L189 HydrophobicContact CH2-CB 4.23Å; W130-L189 HydrophobicContact CH2-CD1 4.12Å; W130-L189 HydrophobicContact CZ2-CB 4.23Å; W130-L189 HydrophobicContact CZ2-CD1 3.71Å; W130-L189 HydrophobicContact CZ3-CD1 4.16Å; L189-A193 WeakPolarHBondContact O-CB 3.43Å; L189-A193 PolarHBondContact O-N 3.03Å; L189-Y254 HydrophobicContact CB-CD2 4.06Å; L189-Y254 HydrophobicContact CB-CE2 4Å; L189-Y254 HydrophobicContact CD2-CD2 3.82Å; L189-Y254 HydrophobicContact CD2-CE2 3.58Å; L189-Y254 HydrophobicContact CG-CD2 4.23Å; L189-Y254 HydrophobicContact CG-CE2 3.8Å; L189-L259 HydrophobicContact CD2-CB 4.24Å; L189-L259 HydrophobicContact CD2-CD2 3.83Å; L189-L259 HydrophobicContact CD2-CG 4.49Å
190S93.7Very high91.2Very high5 Ų544.1 Ų44.14%0.03522%0.221CC..Hα-helixtrans-63.2-38.817761.50000112.8Q188 A193 R194 E252 Y254Q188-S190 PolarHBondContact NE2-OG 3.01Å; Q188-S190 VanDerWaalsContact NE2-OG 3.12Å; Q188-S190 PolarHBondContact O-N 3.33Å; S190-A193 WeakPolarHBondContact O-CB 3.35Å; S190-A193 PolarHBondContact O-N 2.86Å; S190-R194 PolarHBondContact O-N 3.46Å; S190-R194 VanDerWaalsContact O-N 3.15Å; S190-E252 WeakPolarHBondContact CB-O 3.18Å; S190-Y254 WeakPolarHBondContact CB-O 3.37Å; S190-Y254 PolarHBondContact N-O 2.85Å; S190-Y254 VanDerWaalsContact N-O 3.08Å; S190-Y254 PolarHBondContact OG-O 3.36Å
191E94.3Very high90.3Very high0 Ų044.2 Ų44.20%022%0.221CC..Hα-helixtrans-69.9-42.5-179.5-64.2172.8147.300111.5F179 D180 Q181 N182 L187 Q188 A193 R194 L195F179-E191 WeakPolarHBondContact O-CB 3.31Å; F179-E191 WeakPolarHBondContact O-CG 3.11Å; D180-E191 WeakPolarHBondContact CA-OE1 3.1Å; Q181-E191 PolarHBondContact N-OE1 2.97Å; N182-E191 PolarHBondContact N-OE1 3.03Å; L187-E191 WeakPolarHBondContact CA-OE2 3.32Å; L187-E191 HydrophobicContact CB-CB 4.42Å; L187-E191 HydrophobicContact CD2-CB 4.08Å; Q188-E191 HydrophobicContact CG-CB 4.29Å; Q188-E191 HydrophobicContact CG-CG 3.76Å; Q188-E191 WeakPolarHBondContact CG-OE2 3.43Å; Q188-E191 PolarHBondContact N-OE2 2.86Å; Q188-E191 PolarHBondContact O-N 3.18Å; E191-A193 VanDerWaalsContact C-N 3.31Å; E191-A193 PolarHBondContact O-N 3.35Å; E191-R194 PolarHBondContact O-N 3.06Å; E191-L195 PolarHBondContact O-N 3.04Å; E191-L195 VanDerWaalsContact O-N 3.15Å
192M93.6Very high89.4Confident0 Ų041.5 Ų41.50%021%0.207CC..Hα-helixtrans-67.9-32.2173.4-177.4146.7168.500112.3F126 V129 W130 I141 F149 L187 Q188 R194 L195 L196F126-M192 HydrophobicContact CE2-CG 3.97Å; F126-M192 HydrophobicContact CZ-CB 4.15Å; F126-M192 HydrophobicContact CZ-CG 3.93Å; V129-M192 HydrophobicContact CG1-CE 4.14Å; W130-M192 HydrophobicContact CE3-CB 3.87Å; W130-M192 HydrophobicContact CE3-CE 4.37Å; W130-M192 HydrophobicContact CE3-CG 3.9Å; W130-M192 HydrophobicContact CE3-SD 3.48Å; W130-M192 HydrophobicContact CZ3-CB 3.49Å; W130-M192 VanDerWaalsContact CZ3-CB 3.49Å; W130-M192 HydrophobicContact CZ3-CG 4Å; W130-M192 HydrophobicContact CZ3-SD 3.7Å; I141-M192 HydrophobicContact CB-SD 4.42Å; I141-M192 HydrophobicContact CD1-SD 4.47Å; I141-M192 HydrophobicContact CG1-SD 3.59Å; I141-M192 VanDerWaalsContact CG1-SD 3.59Å; F149-M192 HydrophobicContact CD1-CE 4.43Å; F149-M192 HydrophobicContact CD2-CE 4.06Å; F149-M192 HydrophobicContact CE1-CE 4.16Å; F149-M192 HydrophobicContact CE2-CE 3.78Å; F149-M192 HydrophobicContact CG-CE 4.37Å; F149-M192 HydrophobicContact CZ-CE 3.82Å; L187-M192 HydrophobicContact CB-CB 4.49Å; Q188-M192 PolarHBondContact O-N 2.7Å; M192-R194 VanDerWaalsContact C-N 3.27Å; M192-R194 PolarHBondContact O-N 3.21Å; M192-L195 PolarHBondContact O-N 2.97Å; M192-L196 PolarHBondContact O-N 2.76Å
193A91.2Very high88.4Confident12 Ų1238.2 Ų38.210%0.09919%0.189CC..Hα-helixtrans-62.9-34.3173.700000112.3F126 L189 S190 E191 L196F126-A193 HydrophobicContact CE2-CB 4.14Å; F126-A193 HydrophobicContact CZ-CB 3.92Å; L189-A193 WeakPolarHBondContact O-CB 3.43Å; L189-A193 PolarHBondContact O-N 3.03Å; S190-A193 WeakPolarHBondContact O-CB 3.35Å; S190-A193 PolarHBondContact O-N 2.86Å; E191-A193 VanDerWaalsContact C-N 3.31Å; E191-A193 PolarHBondContact O-N 3.35Å; A193-L196 CarbonylContact O-C 3.53Å
194R88.7Confident87.2Confident91 Ų9132.1 Ų32.134%0.34317%0.169SC..Hα-helixtrans-69.6-38.8171.9-71.2-170.4-66.3110.44112.7F179 S190 E191 M192F179-R194 HydrophobicContact CD1-CB 3.83Å; F179-R194 HydrophobicContact CE1-CB 3.89Å; F179-R194 PolarHBondContact O-NH2 2.84Å; S190-R194 PolarHBondContact O-N 3.46Å; S190-R194 VanDerWaalsContact O-N 3.15Å; E191-R194 PolarHBondContact O-N 3.06Å; M192-R194 VanDerWaalsContact C-N 3.27Å; M192-R194 PolarHBondContact O-N 3.21Å
195L89.5Confident85.9Confident7 Ų732.7 Ų32.74%0.03717%0.166CC..Hα-helixtrans-67.4-39.2177.1175.861.1000112F114 L146 F149 I175 F179 L187 E191 M192 P197F114-L195 HydrophobicContact CE1-CD1 4.45Å; L146-L195 HydrophobicContact CD1-CD2 4.21Å; F149-L195 HydrophobicContact CE1-CD2 3.9Å; I175-L195 HydrophobicContact CD1-CD1 4.03Å; I175-L195 HydrophobicContact CG2-CD1 4.04Å; I175-L195 HydrophobicContact CG2-CD2 3.63Å; I175-L195 HydrophobicContact CG2-CG 4.48Å; F179-L195 HydrophobicContact CD1-CB 3.91Å; F179-L195 HydrophobicContact CD2-CB 4.37Å; F179-L195 HydrophobicContact CD2-CD1 3.97Å; F179-L195 HydrophobicContact CE1-CB 4.04Å; F179-L195 HydrophobicContact CE2-CD1 3.69Å; F179-L195 HydrophobicContact CG-CB 4.08Å; F179-L195 HydrophobicContact CZ-CB 4.34Å; F179-L195 HydrophobicContact CZ-CD1 3.98Å; L187-L195 HydrophobicContact CD1-CD2 3.96Å; E191-L195 PolarHBondContact O-N 3.04Å; E191-L195 VanDerWaalsContact O-N 3.15Å; M192-L195 PolarHBondContact O-N 2.97Å; L195-P197 WeakPolarHBondContact O-CD 3.42Å
196L87.7Confident84.3Confident16 Ų1635.9 Ų35.98%0.08418%0.18CC..SBendtrans-121.677.4-174.5-166.968.1000110.9L120 F126 V129 F149 L153 M192 A193L120-L196 HydrophobicContact CD1-CD2 3.37Å; L120-L196 HydrophobicContact CD1-CG 3.83Å; L120-L196 HydrophobicContact CG-CD1 4.44Å; L120-L196 HydrophobicContact CG-CD2 3.94Å; L120-L196 HydrophobicContact CG-CG 3.98Å; F126-L196 HydrophobicContact CD2-CB 4.43Å; F126-L196 HydrophobicContact CD2-CD2 4.34Å; F126-L196 HydrophobicContact CE2-CB 4.27Å; V129-L196 HydrophobicContact CG1-CD2 3.96Å; F149-L196 HydrophobicContact CE2-CD2 3.99Å; F149-L196 HydrophobicContact CZ-CB 4.39Å; F149-L196 HydrophobicContact CZ-CD1 4.15Å; F149-L196 HydrophobicContact CZ-CD2 3.76Å; F149-L196 HydrophobicContact CZ-CG 4.33Å; L153-L196 HydrophobicContact CD1-CD1 4.5Å; L153-L196 HydrophobicContact CD2-CD1 4.05Å; M192-L196 PolarHBondContact O-N 2.76Å; A193-L196 CarbonylContact O-C 3.53Å
197P83.7Confident82.5Confident39 Ų3936.2 Ų36.225%0.25318%0.183SC..  trans-65.7145.1-177.326.3-33.9000112R116 L120 L195R116-P197 HydrophobicContact CG-CG 4.1Å; L120-P197 PolarHBondContact N-O 2.98Å; L195-P197 WeakPolarHBondContact O-CD 3.42Å
198V86.3Confident80.8Confident27 Ų2737.5 Ų37.516%0.16419%0.189CC..BIsolated β-bridgetrans-91.6153.5171.1-61.30000110L120 S122 F126 E200L120-V198 HydrophobicContact CB-CG1 4.11Å; L120-V198 CarbonylContact O-C 3.56Å; L120-V198 WeakPolarHBondContact O-CA 3.42Å; S122-V198 WeakPolarHBondContact O-CG1 3.46Å; F126-V198 HydrophobicContact CB-CG1 3.91Å; V198-E200 PolarHBondContact O-N 2.91Å
199K82Confident79.2Confident122 Ų12243.2 Ų43.253%0.5321%0.214SC..SBendtrans-51.6-43.3179.9-81.2179.1-175.7169.50113.3P119 L120 D121P119-K199 HydrophobicContact CB-CG 4.06Å; P119-K199 HydrophobicContact CG-CG 3.64Å; L120-K199 PolarHBondContact O-N 3.44Å; D121-K199 WeakPolarHBondContact OD1-CE 3.18Å; D121-K199 IonicContact OD1-NZ 2.66Å; D121-K199 PolarHBondContact OD1-NZ 3.48Å
200E76.3Confident77.6Confident68 Ų6847.8 Ų47.832%0.31824%0.238SC..  trans-159.5130.8179.6-165.1177.4178.200109.3V198 Y202 R205V198-E200 PolarHBondContact O-N 2.91Å; E200-Y202 HydrophobicContact CB-CD1 4.27Å; E200-Y202 HydrophobicContact CB-CE1 4.17Å; E200-Y202 HydrophobicContact CG-CD1 4.4Å; E200-Y202 PolarHBondContact O-N 3.13Å; E200-R205 WeakPolarHBondContact OE1-CG 3.46Å; E200-R205 IonicContact OE1-CZ 2.73Å; E200-R205 IonicContact OE1-NE 3.35Å; E200-R205 PolarHBondContact OE1-NE 3.14Å; E200-R205 IonicContact OE1-NH2 2.67Å; E200-R205 IonicContact OE2-CZ 2.7Å; E200-R205 IonicContact OE2-NE 3.58Å; E200-R205 PolarHBondContact OE2-NE 3.32Å; E200-R205 IonicContact OE2-NH2 3.88Å; E200-R205 PolarHBondContact OE2-NH2 3.35Å
201N76.1Confident76.1Confident18 Ų1848.1 Ų48.110%0.09624%0.241CC..  trans-74.4102.2156.4178.1-27.2000106.8L203 C204 D245N201-L203 PolarHBondContact O-N 3.24Å; N201-L203 VanDerWaalsContact O-N 3.09Å; N201-L203 WeakPolarHBondContact OD1-CB 3.46Å; N201-L203 PolarHBondContact OD1-N 2.91Å; N201-L203 VanDerWaalsContact OD1-N 3.09Å; N201-C204 VanDerWaalsContact O-CB 3.28Å; N201-C204 WeakPolarHBondContact O-CB 3.25Å; N201-C204 PolarHBondContact O-N 2.68Å; N201-D245 WeakPolarHBondContact ND2-CA 3.33Å; N201-D245 PolarHBondContact ND2-O 3.22Å; N201-D245 WeakPolarHBondContact OD1-CB 3.38Å
202Y72.2Confident74.7Confident35 Ų3552.1 Ų52.114%0.13727%0.269CS..G310 helixtrans-61.7-23-171.7-63.6-71.2000113.5D121 E200 C204 R205 F208 L225D121-Y202 PolarHBondContact O-OH 2.93Å; D121-Y202 VanDerWaalsContact O-OH 3.09Å; E200-Y202 HydrophobicContact CB-CD1 4.27Å; E200-Y202 HydrophobicContact CB-CE1 4.17Å; E200-Y202 HydrophobicContact CG-CD1 4.4Å; E200-Y202 PolarHBondContact O-N 3.13Å; Y202-C204 VanDerWaalsContact C-N 3.31Å; Y202-R205 WeakPolarHBondContact O-CB 3.32Å; Y202-R205 WeakPolarHBondContact O-CG 3.4Å; Y202-R205 PolarHBondContact O-N 2.93Å; Y202-F208 VanDerWaalsContact O-CD2 3.28Å; Y202-F208 WeakPolarHBondContact O-CD2 3.46Å; Y202-F208 WeakPolarHBondContact O-CE2 3.4Å; Y202-L225 HydrophobicContact CD1-CD1 3.69Å; Y202-L225 HydrophobicContact CD1-CD2 4.02Å; Y202-L225 HydrophobicContact CD1-CG 4.4Å; Y202-L225 HydrophobicContact CD2-CB 4.18Å; Y202-L225 HydrophobicContact CD2-CD1 4.29Å; Y202-L225 HydrophobicContact CD2-CD2 4.44Å; Y202-L225 HydrophobicContact CE1-CD1 4.31Å; Y202-L225 HydrophobicContact CE1-CD2 3.77Å; Y202-L225 HydrophobicContact CE2-CB 4.46Å; Y202-L225 HydrophobicContact CE2-CD2 4.23Å; Y202-L225 HydrophobicContact CG-CB 4.4Å; Y202-L225 HydrophobicContact CG-CD1 3.68Å; Y202-L225 HydrophobicContact CG-CD2 4.35Å; Y202-L225 HydrophobicContact CG-CG 4.36Å
203L71.6Confident73.5Confident7 Ų759.5 Ų59.54%0.03730%0.302CS..G310 helixtrans-77.5-16.4177.5-55.3-179.9000112.6N201 R205 F208 Y226 F242 D245 L246 L249N201-L203 PolarHBondContact O-N 3.24Å; N201-L203 VanDerWaalsContact O-N 3.09Å; N201-L203 WeakPolarHBondContact OD1-CB 3.46Å; N201-L203 PolarHBondContact OD1-N 2.91Å; N201-L203 VanDerWaalsContact OD1-N 3.09Å; L203-R205 PolarHBondContact O-N 3.41Å; L203-F208 HydrophobicContact CD2-CD2 4.41Å; L203-F208 HydrophobicContact CD2-CG 4.4Å; L203-F208 WeakPolarHBondContact O-CB 3.46Å; L203-Y226 HydrophobicContact CD2-CE2 4.39Å; L203-F242 HydrophobicContact CD1-CD2 4.37Å; L203-F242 HydrophobicContact CD1-CE2 3.92Å; L203-F242 HydrophobicContact CD2-CE2 4.26Å; L203-D245 HydrophobicContact CD1-CB 3.87Å; L203-D245 HydrophobicContact CG-CB 4.25Å; L203-L246 HydrophobicContact CD1-CB 3.97Å; L203-L246 HydrophobicContact CD1-CD1 4.19Å; L203-L249 HydrophobicContact CB-CD1 3.61Å; L203-L249 HydrophobicContact CD1-CD1 4.44Å
204C67.8Low72.6Confident54 Ų5460.2 Ų60.237%0.36530%0.303SS..G310 helixtrans-67.6-16.5172.2-74.90000113.1N201 Y202 K209 L249N201-C204 VanDerWaalsContact O-CB 3.28Å; N201-C204 WeakPolarHBondContact O-CB 3.25Å; N201-C204 PolarHBondContact O-N 2.68Å; Y202-C204 VanDerWaalsContact C-N 3.31Å; C204-K209 WeakPolarHBondContact O-CE 3.44Å; C204-L249 VanDerWaalsContact SG-CD2 3.56Å
205R68.3Low72.2Confident84 Ų8459.2 Ų59.232%0.31731%0.307SS..SBendtrans-57.2137.4-179.6-70.4-178.4174.6-176.83.4110.4E200 Y202 L203 I207 F208E200-R205 WeakPolarHBondContact OE1-CG 3.46Å; E200-R205 IonicContact OE1-CZ 2.73Å; E200-R205 IonicContact OE1-NE 3.35Å; E200-R205 PolarHBondContact OE1-NE 3.14Å; E200-R205 IonicContact OE1-NH2 2.67Å; E200-R205 IonicContact OE2-CZ 2.7Å; E200-R205 IonicContact OE2-NE 3.58Å; E200-R205 PolarHBondContact OE2-NE 3.32Å; E200-R205 IonicContact OE2-NH2 3.88Å; E200-R205 PolarHBondContact OE2-NH2 3.35Å; Y202-R205 WeakPolarHBondContact O-CB 3.32Å; Y202-R205 WeakPolarHBondContact O-CG 3.4Å; Y202-R205 PolarHBondContact O-N 2.93Å; L203-R205 PolarHBondContact O-N 3.41Å; R205-I207 HydrophobicContact CB-CG2 4.34Å; R205-I207 PolarHBondContact O-N 3Å; R205-F208 HydrophobicContact CB-CD2 4.09Å; R205-F208 HydrophobicContact CB-CE2 4.44Å; R205-F208 PolarHBondContact O-N 3.14Å
206P61.4Low71.8Confident105 Ų10561.8 Ų61.868%0.68233%0.326SS*.Hα-helixtrans-53-25.2-177-27.933.4000114.6F208 K209 N210P206-F208 VanDerWaalsContact C-N 3.27Å; P206-F208 PolarHBondContact O-N 2.92Å; P206-K209 PolarHBondContact O-N 3.04Å; P206-N210 PolarHBondContact O-N 3.21Å; P206-N210 VanDerWaalsContact O-N 3.11Å
207I58.2Low71.6Confident58 Ų5863.6 Ų63.630%0.29734%0.343SS..Hα-helixtrans-63.9-32.1178.7-146.3153.9000112.4R205 I214 D218R205-I207 HydrophobicContact CB-CG2 4.34Å; R205-I207 PolarHBondContact O-N 3Å; I207-I214 VanDerWaalsContact O-CG1 3.28Å; I207-I214 WeakPolarHBondContact O-CG1 3.31Å; I207-D218 HydrophobicContact CD1-CB 4.25Å; I207-D218 WeakPolarHBondContact CD1-OD1 3.5Å; I207-D218 HydrophobicContact CG1-CB 4.47Å
208F61.6Low71.5Confident27 Ų2762.3 Ų62.312%0.11833%0.334CS..Hα-helixtrans-87.8-27.9178-61.9-66.6000112.4Y202 L203 R205 P206 N210 I214 A222 L287Y202-F208 VanDerWaalsContact O-CD2 3.28Å; Y202-F208 WeakPolarHBondContact O-CD2 3.46Å; Y202-F208 WeakPolarHBondContact O-CE2 3.4Å; L203-F208 HydrophobicContact CD2-CD2 4.41Å; L203-F208 HydrophobicContact CD2-CG 4.4Å; L203-F208 WeakPolarHBondContact O-CB 3.46Å; R205-F208 HydrophobicContact CB-CD2 4.09Å; R205-F208 HydrophobicContact CB-CE2 4.44Å; R205-F208 PolarHBondContact O-N 3.14Å; P206-F208 VanDerWaalsContact C-N 3.27Å; P206-F208 PolarHBondContact O-N 2.92Å; F208-N210 VanDerWaalsContact C-N 3.31Å; F208-N210 PolarHBondContact O-N 3.06Å; F208-I214 HydrophobicContact CD1-CD1 3.81Å; F208-I214 HydrophobicContact CD1-CG1 4.46Å; F208-I214 HydrophobicContact CE1-CD1 4.42Å; F208-A222 HydrophobicContact CE1-CB 3.75Å; F208-A222 HydrophobicContact CZ-CB 3.57Å; F208-L287 HydrophobicContact CE1-CD1 4.47Å
209K63.9Low71.4Confident133 Ų13361.3 Ų61.358%0.57833%0.328SS*.Hα-helixtrans-68.1-30.2172.3-63.9-171.3177.4-177.60112.7C204 P206C204-K209 WeakPolarHBondContact O-CE 3.44Å; P206-K209 PolarHBondContact O-N 3.04Å
210N62.5Low71.5Confident95 Ų9558.3 Ų58.351%0.50832%0.318SS..THydrogen-bonded Turntrans-108.669.4174.2-89.7-38.1000111P206 F208 S212 K213P206-N210 PolarHBondContact O-N 3.21Å; P206-N210 VanDerWaalsContact O-N 3.11Å; F208-N210 VanDerWaalsContact C-N 3.31Å; F208-N210 PolarHBondContact O-N 3.06Å; N210-S212 PolarHBondContact O-N 3.35Å; N210-K213 PolarHBondContact O-N 2.92Å
211A61.9Low72Confident12 Ų1260.8 Ų60.810%0.09932%0.324CS..G310 helixtrans-63.7-11.5-174.700000113.6K213 I214 S291A211-K213 PolarHBondContact O-N 3.41Å; A211-I214 HydrophobicContact CB-CD1 3.74Å; A211-I214 HydrophobicContact CB-CG1 4.4Å; A211-I214 PolarHBondContact O-N 3.12Å; A211-S291 VanDerWaalsContact C-CB 3.41Å; A211-S291 VanDerWaalsContact CB-CA 3.44Å; A211-S291 VanDerWaalsContact O-CB 3.28Å; A211-S291 WeakPolarHBondContact O-CB 3.28Å; A211-S291 PolarHBondContact O-OG 3Å
212S63.9Low72.3Confident85 Ų8560.1 Ų60.159%0.59432%0.321SS*.G310 helixtrans-67.3-14.817160.80000113.8N210 S291N210-S212 PolarHBondContact O-N 3.35Å; S212-S291 WeakPolarHBondContact CA-OG 3.43Å; S212-S291 PolarHBondContact N-OG 3.36Å
213K69.1Low73.1Confident155 Ų15558.4 Ų58.467%0.67431%0.314SS*.G310 helixtrans-109.91177.3-65.9-175.6179.51770113.9N210 A211 T215N210-K213 PolarHBondContact O-N 2.92Å; A211-K213 PolarHBondContact O-N 3.41Å; K213-T215 PolarHBondContact O-N 2.97Å
214I72.8Confident74Confident27 Ų2761.3 Ų61.314%0.13834%0.335CS..  trans-61.7121.8179.2-81.6175.7000109.6I207 F208 A211 I219 L287I207-I214 VanDerWaalsContact O-CG1 3.28Å; I207-I214 WeakPolarHBondContact O-CG1 3.31Å; F208-I214 HydrophobicContact CD1-CD1 3.81Å; F208-I214 HydrophobicContact CD1-CG1 4.46Å; F208-I214 HydrophobicContact CE1-CD1 4.42Å; A211-I214 HydrophobicContact CB-CD1 3.74Å; A211-I214 HydrophobicContact CB-CG1 4.4Å; A211-I214 PolarHBondContact O-N 3.12Å; I214-I219 HydrophobicContact CG2-CD1 3.75Å; I214-I219 HydrophobicContact CG2-CG1 3.47Å; I214-I219 VanDerWaalsContact CG2-CG1 3.47Å; I214-L287 HydrophobicContact CD1-CB 4.37Å
215T79.9Confident74.9Confident70 Ų7060.7 Ų60.743%0.42933%0.328SS..  trans-93163.9172.471.90000110.8K213 A217 D218 I219K213-T215 PolarHBondContact O-N 2.97Å; T215-A217 PolarHBondContact O-N 3.25Å; T215-A217 PolarHBondContact OG1-N 3.03Å; T215-D218 WeakPolarHBondContact CB-OD2 3.43Å; T215-D218 PolarHBondContact N-OD2 3.33Å; T215-D218 PolarHBondContact O-N 3.06Å; T215-D218 VanDerWaalsContact OG1-CG 3.22Å; T215-D218 PolarHBondContact OG1-N 3.43Å; T215-D218 PolarHBondContact OG1-OD2 2.83Å; T215-I219 PolarHBondContact O-N 3.03Å
216S79.8Confident76Confident60 Ų6056.7 Ų56.742%0.4231%0.313SS..Hα-helixtrans-57-34.8172.5-158.20000111.9D218 I219 D220 K284S216-D218 VanDerWaalsContact C-N 3.3Å; S216-D218 PolarHBondContact O-N 3.03Å; S216-I219 PolarHBondContact O-N 3.11Å; S216-D220 PolarHBondContact O-N 2.81Å; S216-K284 PolarHBondContact OG-NZ 3.29Å
217A84.9Confident77.6Confident55 Ų5552.3 Ų52.346%0.45528%0.283SS..Hα-helixtrans-68.2-29.4178.100000112.7T215 R221T215-A217 PolarHBondContact O-N 3.25Å; T215-A217 PolarHBondContact OG1-N 3.03Å; A217-R221 WeakPolarHBondContact O-CB 3.41Å; A217-R221 PolarHBondContact O-N 2.85Å
218D82.1Confident79.2Confident12 Ų1253.3 Ų53.36%0.06429%0.289CS..Hα-helixtrans-73.5-36.2175-57.1-48.3000111.2I207 T215 S216 R221 A222I207-D218 HydrophobicContact CD1-CB 4.25Å; I207-D218 WeakPolarHBondContact CD1-OD1 3.5Å; I207-D218 HydrophobicContact CG1-CB 4.47Å; T215-D218 WeakPolarHBondContact CB-OD2 3.43Å; T215-D218 PolarHBondContact N-OD2 3.33Å; T215-D218 PolarHBondContact O-N 3.06Å; T215-D218 VanDerWaalsContact OG1-CG 3.22Å; T215-D218 PolarHBondContact OG1-N 3.43Å; T215-D218 PolarHBondContact OG1-OD2 2.83Å; S216-D218 VanDerWaalsContact C-N 3.3Å; S216-D218 PolarHBondContact O-N 3.03Å; D218-R221 PolarHBondContact O-N 3.09Å; D218-R221 IonicContact OD1-CZ 3.76Å; D218-R221 IonicContact OD1-NH1 2.78Å; D218-R221 PolarHBondContact OD1-NH1 3.26Å; D218-R221 IonicContact OD1-NH2 3.87Å; D218-A222 WeakPolarHBondContact O-CB 3.39Å; D218-A222 PolarHBondContact O-N 3.06Å
219I82.5Confident80.7Confident6 Ų656.7 Ų56.73%0.03131%0.308CS..Hα-helixtrans-66.3-44.9173-58.7168.9000110.4I214 T215 S216 R221 A222 F223 L283 K284 L287I214-I219 HydrophobicContact CG2-CD1 3.75Å; I214-I219 HydrophobicContact CG2-CG1 3.47Å; I214-I219 VanDerWaalsContact CG2-CG1 3.47Å; T215-I219 PolarHBondContact O-N 3.03Å; S216-I219 PolarHBondContact O-N 3.11Å; I219-R221 VanDerWaalsContact C-N 3.25Å; I219-R221 PolarHBondContact O-N 2.97Å; I219-A222 WeakPolarHBondContact O-CB 3.45Å; I219-A222 PolarHBondContact O-N 2.94Å; I219-A222 VanDerWaalsContact O-N 3.16Å; I219-F223 WeakPolarHBondContact O-CB 3.16Å; I219-F223 PolarHBondContact O-N 3.44Å; I219-L283 HydrophobicContact CG2-CD2 4.4Å; I219-K284 HydrophobicContact CD1-CB 3.94Å; I219-K284 HydrophobicContact CD1-CD 4.06Å; I219-K284 HydrophobicContact CD1-CG 3.57Å; I219-K284 HydrophobicContact CG2-CB 4.06Å; I219-L287 HydrophobicContact CG1-CD1 4.14Å; I219-L287 HydrophobicContact CG2-CD1 4.38Å
220D85.5Confident82.1Confident58 Ų5854.2 Ų54.231%0.3131%0.313SS..Hα-helixtrans-60.2-39.1176-74.2-45.9000111.3S216 S224 R280S216-D220 PolarHBondContact O-N 2.81Å; D220-S224 WeakPolarHBondContact O-CB 3.42Å; D220-S224 PolarHBondContact O-N 2.95Å; D220-S224 PolarHBondContact O-OG 2.79Å; D220-R280 IonicContact OD1-CZ 2.84Å; D220-R280 IonicContact OD1-NH1 2.88Å; D220-R280 PolarHBondContact OD1-NH1 3.45Å
221R85.3Confident83.6Confident121 Ų12153 Ų5346%0.45731%0.306SS..Hα-helixtrans-65.7-45.3174.3-165.6-175.7-57.9109.93.7111.5A217 D218 I219 F223 S224 L225A217-R221 WeakPolarHBondContact O-CB 3.41Å; A217-R221 PolarHBondContact O-N 2.85Å; D218-R221 PolarHBondContact O-N 3.09Å; D218-R221 IonicContact OD1-CZ 3.76Å; D218-R221 IonicContact OD1-NH1 2.78Å; D218-R221 PolarHBondContact OD1-NH1 3.26Å; D218-R221 IonicContact OD1-NH2 3.87Å; I219-R221 VanDerWaalsContact C-N 3.25Å; I219-R221 PolarHBondContact O-N 2.97Å; R221-F223 VanDerWaalsContact C-N 3.35Å; R221-S224 PolarHBondContact O-N 3.47Å; R221-L225 VanDerWaalsContact O-CG 3.27Å; R221-L225 WeakPolarHBondContact O-CG 3.42Å; R221-L225 PolarHBondContact O-N 3.31Å
222A83.8Confident85.1Confident3 Ų353.7 Ų53.73%0.02532%0.315CS..Hα-helixtrans-57.5-50176.200000110.8F208 D218 I219 S224 L225 Y226 L283F208-A222 HydrophobicContact CE1-CB 3.75Å; F208-A222 HydrophobicContact CZ-CB 3.57Å; D218-A222 WeakPolarHBondContact O-CB 3.39Å; D218-A222 PolarHBondContact O-N 3.06Å; I219-A222 WeakPolarHBondContact O-CB 3.45Å; I219-A222 PolarHBondContact O-N 2.94Å; I219-A222 VanDerWaalsContact O-N 3.16Å; A222-S224 VanDerWaalsContact C-N 3.32Å; A222-S224 PolarHBondContact O-N 3.44Å; A222-L225 WeakPolarHBondContact O-CB 3.33Å; A222-L225 PolarHBondContact O-N 3.23Å; A222-L225 VanDerWaalsContact O-N 3.08Å; A222-Y226 VanDerWaalsContact O-CD2 3.28Å; A222-Y226 WeakPolarHBondContact O-CD2 3.35Å; A222-L283 HydrophobicContact CB-CD2 4.47Å
223F89.2Confident86.6Confident0 Ų050.8 Ų50.80%029%0.294CS..Hα-helixtrans-57.8-46.6-179.5-163.1-86.3000111.2I219 R221 L225 Y226 D227 G232 I234 I278 N279 R280 L283I219-F223 WeakPolarHBondContact O-CB 3.16Å; I219-F223 PolarHBondContact O-N 3.44Å; R221-F223 VanDerWaalsContact C-N 3.35Å; F223-L225 PolarHBondContact O-N 3.45Å; F223-L225 VanDerWaalsContact O-N 3.17Å; F223-Y226 PolarHBondContact O-N 2.88Å; F223-Y226 VanDerWaalsContact O-N 3.11Å; F223-D227 HydrophobicContact CD1-CB 3.77Å; F223-D227 HydrophobicContact CE1-CB 3.6Å; F223-D227 VanDerWaalsContact CE1-OD2 3.27Å; F223-D227 WeakPolarHBondContact CE1-OD2 3.16Å; F223-D227 HydrophobicContact CZ-CB 4.46Å; F223-D227 WeakPolarHBondContact O-CB 3.44Å; F223-D227 PolarHBondContact O-N 2.96Å; F223-G232 VanDerWaalsContact CZ-O 3.25Å; F223-G232 WeakPolarHBondContact CZ-O 3.47Å; F223-I234 HydrophobicContact CD2-CD1 3.75Å; F223-I234 HydrophobicContact CD2-CG1 4.17Å; F223-I234 HydrophobicContact CE1-CG1 4.47Å; F223-I234 HydrophobicContact CE2-CD1 3.79Å; F223-I234 HydrophobicContact CE2-CG1 3.78Å; F223-I234 HydrophobicContact CG-CD1 4.34Å; F223-I234 HydrophobicContact CZ-CD1 4.43Å; F223-I234 HydrophobicContact CZ-CG1 3.95Å; F223-I278 WeakPolarHBondContact CE2-O 3.46Å; F223-N279 VanDerWaalsContact CE2-C 3.42Å; F223-R280 HydrophobicContact CD1-CG 3.73Å; F223-R280 HydrophobicContact CD2-CB 4.32Å; F223-R280 HydrophobicContact CD2-CG 3.69Å; F223-R280 HydrophobicContact CE1-CG 3.73Å; F223-R280 HydrophobicContact CE2-CB 4.3Å; F223-R280 HydrophobicContact CE2-CG 3.74Å; F223-R280 VanDerWaalsContact CE2-N 3.32Å; F223-R280 HydrophobicContact CG-CG 3.7Å; F223-R280 HydrophobicContact CZ-CG 3.76Å; F223-L283 HydrophobicContact CB-CD2 4.01Å; F223-L283 HydrophobicContact CD2-CB 4.21Å; F223-L283 HydrophobicContact CD2-CD2 3.64Å; F223-L283 HydrophobicContact CG-CD2 4.32Å
224S89.9Confident87.7Confident68 Ų6843.4 Ų43.448%0.47626%0.262SS..Hα-helixtrans-67.9-13.3-179.7-50.70000114.2D220 R221 A222D220-S224 WeakPolarHBondContact O-CB 3.42Å; D220-S224 PolarHBondContact O-N 2.95Å; D220-S224 PolarHBondContact O-OG 2.79Å; R221-S224 PolarHBondContact O-N 3.47Å; A222-S224 VanDerWaalsContact C-N 3.32Å; A222-S224 PolarHBondContact O-N 3.44Å
225L87.3Confident88.7Confident40 Ų4044 Ų4421%0.20926%0.263CS..Hα-helixtrans-83.3-21.5175.2-70.2163.5000112.3Y202 R221 A222 F223Y202-L225 HydrophobicContact CD1-CD1 3.69Å; Y202-L225 HydrophobicContact CD1-CD2 4.02Å; Y202-L225 HydrophobicContact CD1-CG 4.4Å; Y202-L225 HydrophobicContact CD2-CB 4.18Å; Y202-L225 HydrophobicContact CD2-CD1 4.29Å; Y202-L225 HydrophobicContact CD2-CD2 4.44Å; Y202-L225 HydrophobicContact CE1-CD1 4.31Å; Y202-L225 HydrophobicContact CE1-CD2 3.77Å; Y202-L225 HydrophobicContact CE2-CB 4.46Å; Y202-L225 HydrophobicContact CE2-CD2 4.23Å; Y202-L225 HydrophobicContact CG-CB 4.4Å; Y202-L225 HydrophobicContact CG-CD1 3.68Å; Y202-L225 HydrophobicContact CG-CD2 4.35Å; Y202-L225 HydrophobicContact CG-CG 4.36Å; R221-L225 VanDerWaalsContact O-CG 3.27Å; R221-L225 WeakPolarHBondContact O-CG 3.42Å; R221-L225 PolarHBondContact O-N 3.31Å; A222-L225 WeakPolarHBondContact O-CB 3.33Å; A222-L225 PolarHBondContact O-N 3.23Å; A222-L225 VanDerWaalsContact O-N 3.08Å; F223-L225 PolarHBondContact O-N 3.45Å; F223-L225 VanDerWaalsContact O-N 3.17Å
226Y91.8Very high89.3Confident1 Ų145.3 Ų45.30%0.00427%0.268CS..Hα-helixtrans-107.7-38.7179.7-63.8-76.9000112.6V124 L203 A222 F223 L228 E238 F242 D245V124-Y226 HydrophobicContact CG2-CD1 3.84Å; L203-Y226 HydrophobicContact CD2-CE2 4.39Å; A222-Y226 VanDerWaalsContact O-CD2 3.28Å; A222-Y226 WeakPolarHBondContact O-CD2 3.35Å; F223-Y226 PolarHBondContact O-N 2.88Å; F223-Y226 VanDerWaalsContact O-N 3.11Å; Y226-L228 VanDerWaalsContact C-N 3.26Å; Y226-L228 PolarHBondContact O-N 3.43Å; Y226-E238 VanDerWaalsContact O-CB 3.25Å; Y226-E238 WeakPolarHBondContact O-CB 3.24Å; Y226-E238 WeakPolarHBondContact O-CG 3.44Å; Y226-F242 HydrophobicContact CD1-CB 3.76Å; Y226-F242 HydrophobicContact CD1-CD2 4.44Å; Y226-F242 HydrophobicContact CD2-CB 4.43Å; Y226-F242 AromaticContact CD2-CD2 3.79Å; Y226-F242 HydrophobicContact CD2-CD2 3.79Å; Y226-F242 VanDerWaalsContact CE1-CA 3.47Å; Y226-F242 HydrophobicContact CE1-CB 4.03Å; Y226-F242 HydrophobicContact CE1-CD2 4.31Å; Y226-F242 AromaticContact CE2-CD2 3.64Å; Y226-F242 HydrophobicContact CE2-CD2 3.64Å; Y226-F242 HydrophobicContact CE2-CE2 4.35Å; Y226-F242 HydrophobicContact CG-CB 3.99Å; Y226-F242 HydrophobicContact CG-CD2 4.21Å; Y226-F242 AromaticContact CZ-CD2 3.92Å; Y226-D245 WeakPolarHBondContact CE1-OD2 3.47Å; Y226-D245 WeakPolarHBondContact OH-CB 3.36Å; Y226-D245 PolarHBondContact OH-OD2 2.99Å
227D93.9Very high90Very high12 Ų1245.3 Ų45.36%0.06426%0.261CS..  trans-72.476.7172.6176.824.4000109.8F223 A230 N231 G232 I234F223-D227 HydrophobicContact CD1-CB 3.77Å; F223-D227 HydrophobicContact CE1-CB 3.6Å; F223-D227 VanDerWaalsContact CE1-OD2 3.27Å; F223-D227 WeakPolarHBondContact CE1-OD2 3.16Å; F223-D227 HydrophobicContact CZ-CB 4.46Å; F223-D227 WeakPolarHBondContact O-CB 3.44Å; F223-D227 PolarHBondContact O-N 2.96Å; D227-A230 PolarHBondContact O-N 3.12Å; D227-A230 WeakPolarHBondContact OD1-CA 3.44Å; D227-A230 PolarHBondContact OD1-N 2.92Å; D227-A230 VanDerWaalsContact OD1-N 3.09Å; D227-N231 PolarHBondContact OD1-N 2.86Å; D227-G232 PolarHBondContact OD1-N 3.06Å; D227-G232 WeakPolarHBondContact OD2-CA 3.49Å; D227-G232 PolarHBondContact OD2-N 3.13Å; D227-G232 VanDerWaalsContact OD2-N 3.15Å; D227-I234 HydrophobicContact CB-CG1 4.41Å
228L91.4Very high90.5Very high79 Ų7943.2 Ų43.241%0.41424%0.242SC..SBendtrans-76.4-29.8-173-66.4-174000112V124 Y226 A230 E238V124-L228 HydrophobicContact CB-CD1 3.86Å; V124-L228 HydrophobicContact CG1-CD1 3.63Å; V124-L228 HydrophobicContact CG1-CG 4.42Å; V124-L228 HydrophobicContact CG2-CD1 4.41Å; Y226-L228 VanDerWaalsContact C-N 3.26Å; Y226-L228 PolarHBondContact O-N 3.43Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-E238 PolarHBondContact N-OE1 3.23Å
229D93.4Very high91Very high98 Ų9842.7 Ų42.752%0.52424%0.239SC..SBendtrans-85.9-5.9175.6780.1000113.3N231 E238D229-N231 VanDerWaalsContact CG-ND2 3.35Å; D229-N231 PolarHBondContact O-N 2.82Å; D229-N231 WeakPolarHBondContact OD1-CB 3.17Å; D229-N231 PolarHBondContact OD1-N 3.11Å; D229-N231 PolarHBondContact OD1-ND2 2.8Å; D229-N231 VanDerWaalsContact OD1-ND2 3.07Å; D229-N231 PolarHBondContact OD2-ND2 3.06Å; D229-E238 PolarHBondContact N-OE1 3.3Å
230A93Very high91.6Very high82 Ų8242.7 Ų42.768%0.67824%0.24SC*.  trans57.632.1-179.700000113.1D227 L228D227-A230 PolarHBondContact O-N 3.12Å; D227-A230 WeakPolarHBondContact OD1-CA 3.44Å; D227-A230 PolarHBondContact OD1-N 2.92Å; D227-A230 VanDerWaalsContact OD1-N 3.09Å; L228-A230 VanDerWaalsContact C-N 3.31Å
231N94.2Very high91.9Very high69 Ų6940 Ų4037%0.36923%0.225SC..SBendtrans-78.4-11.3177.178.629.1000112.7D227 D229 T233 E235D227-N231 PolarHBondContact OD1-N 2.86Å; D229-N231 VanDerWaalsContact CG-ND2 3.35Å; D229-N231 PolarHBondContact O-N 2.82Å; D229-N231 WeakPolarHBondContact OD1-CB 3.17Å; D229-N231 PolarHBondContact OD1-N 3.11Å; D229-N231 PolarHBondContact OD1-ND2 2.8Å; D229-N231 VanDerWaalsContact OD1-ND2 3.07Å; D229-N231 PolarHBondContact OD2-ND2 3.06Å; N231-T233 WeakPolarHBondContact OD1-CA 2.96Å; N231-T233 PolarHBondContact OD1-N 3.45Å; N231-T233 PolarHBondContact OD1-O 2.91Å; N231-T233 PolarHBondContact OD1-OG1 2.62Å; N231-E235 PolarHBondContact ND2-OE1 3.34Å
232G93.6Very high92.2Very high27 Ų2734.3 Ų34.328%0.27820%0.204SC..SBendtrans90.78.2175.900000114.7F223 D227F223-G232 VanDerWaalsContact CZ-O 3.25Å; F223-G232 WeakPolarHBondContact CZ-O 3.47Å; D227-G232 PolarHBondContact OD1-N 3.06Å; D227-G232 WeakPolarHBondContact OD2-CA 3.49Å; D227-G232 PolarHBondContact OD2-N 3.13Å; D227-G232 VanDerWaalsContact OD2-N 3.15Å
233T94.8Very high92.6Very high24 Ų2434.2 Ų34.215%0.14720%0.203CC..EExtended strand (participates in β ladder)trans-137.1136.9175.152.90000110N231 K277 N279N231-T233 WeakPolarHBondContact OD1-CA 2.96Å; N231-T233 PolarHBondContact OD1-N 3.45Å; N231-T233 PolarHBondContact OD1-O 2.91Å; N231-T233 PolarHBondContact OD1-OG1 2.62Å; T233-K277 HydrophobicContact CG2-CB 4.45Å; T233-K277 HydrophobicContact CG2-CD 4.11Å; T233-K277 WeakPolarHBondContact OG1-CD 3.36Å; T233-N279 HydrophobicContact CG2-CB 4.27Å
234I94Very high92.7Very high0 Ų034.4 Ų34.40%020%0.204CC..EExtended strand (participates in β ladder)trans-86.4111.9171.9-62.8170.2000107.4F223 D227 E238 L239 F242 I278 L283F223-I234 HydrophobicContact CD2-CD1 3.75Å; F223-I234 HydrophobicContact CD2-CG1 4.17Å; F223-I234 HydrophobicContact CE1-CG1 4.47Å; F223-I234 HydrophobicContact CE2-CD1 3.79Å; F223-I234 HydrophobicContact CE2-CG1 3.78Å; F223-I234 HydrophobicContact CG-CD1 4.34Å; F223-I234 HydrophobicContact CZ-CD1 4.43Å; F223-I234 HydrophobicContact CZ-CG1 3.95Å; D227-I234 HydrophobicContact CB-CG1 4.41Å; I234-E238 HydrophobicContact CG2-CB 3.93Å; I234-L239 HydrophobicContact CG2-CB 4.08Å; I234-L239 HydrophobicContact CG2-CD1 4.34Å; I234-F242 HydrophobicContact CG2-CB 4.25Å; I234-I278 HydrophobicContact CB-CB 4.36Å; I234-I278 PolarHBondContact N-O 3.42Å; I234-I278 PolarHBondContact O-N 3.45Å; I234-L283 HydrophobicContact CD1-CD2 4.17Å
235E93.4Very high92.7Very high38 Ų3831.1 Ų31.118%0.17818%0.181CC..  trans-139170.4-176.466.2179.8140.300113.6N231 E237 E238 L239 K277N231-E235 PolarHBondContact ND2-OE1 3.34Å; E235-E237 PolarHBondContact O-N 2.95Å; E235-E238 WeakPolarHBondContact O-CA 3.29Å; E235-E238 WeakPolarHBondContact O-CB 2.84Å; E235-E238 PolarHBondContact O-N 2.9Å; E235-L239 PolarHBondContact O-N 2.82Å; E235-L239 VanDerWaalsContact O-N 3.09Å; E235-K277 HydrophobicContact CB-CB 4.16Å; E235-K277 HydrophobicContact CB-CD 4.04Å; E235-K277 HydrophobicContact CB-CG 3.88Å; E235-K277 HydrophobicContact CG-CD 4.41Å; E235-K277 IonicContact OE1-NZ 3.41Å; E235-K277 PolarHBondContact OE1-NZ 3.18Å; E235-K277 VanDerWaalsContact OE2-CD 3.24Å; E235-K277 WeakPolarHBondContact OE2-CD 3.4Å; E235-K277 WeakPolarHBondContact OE2-CE 3.18Å; E235-K277 IonicContact OE2-NZ 3.58Å; E235-K277 PolarHBondContact OE2-NZ 2.91Å
236D92.4Very high92.6Very high98 Ų9830.1 Ų30.152%0.52418%0.176SC..Hα-helixtrans46.2-119.2176.5-64.3-37.2000114.4E238 L239 S240D236-E238 VanDerWaalsContact C-N 3.3Å; D236-E238 PolarHBondContact O-N 3.32Å; D236-L239 PolarHBondContact O-N 3.22Å; D236-S240 PolarHBondContact O-N 3.04Å; D236-S240 PolarHBondContact O-OG 3.2Å
237E93.4Very high92.4Very high61 Ų6130.6 Ų30.629%0.28518%0.178SC..Hα-helixtrans-67.1-28.3177.8-71.969.5-138.100113.3V124 R128 K131 E235 S240 G241V124-E237 HydrophobicContact CG1-CB 4.27Å; R128-E237 HydrophobicContact CG-CB 4.04Å; R128-E237 HydrophobicContact CG-CG 3.82Å; K131-E237 HydrophobicContact CD-CG 4.16Å; K131-E237 WeakPolarHBondContact CD-OE1 3.21Å; K131-E237 IonicContact NZ-OE1 3.91Å; K131-E237 PolarHBondContact NZ-OE1 3.1Å; E235-E237 PolarHBondContact O-N 2.95Å; E237-S240 PolarHBondContact O-N 3.16Å; E237-G241 PolarHBondContact O-N 3.06Å
238E95.1Very high92Very high10 Ų1033.6 Ų33.65%0.04719%0.192CC..Hα-helixtrans-66.8-43.9176.3-55.1178.9150.200110V124 Y226 L228 D229 I234 E235 D236 G241 F242V124-E238 HydrophobicContact CG1-CB 4.47Å; V124-E238 HydrophobicContact CG1-CG 4.06Å; Y226-E238 VanDerWaalsContact O-CB 3.25Å; Y226-E238 WeakPolarHBondContact O-CB 3.24Å; Y226-E238 WeakPolarHBondContact O-CG 3.44Å; L228-E238 PolarHBondContact N-OE1 3.23Å; D229-E238 PolarHBondContact N-OE1 3.3Å; I234-E238 HydrophobicContact CG2-CB 3.93Å; E235-E238 WeakPolarHBondContact O-CA 3.29Å; E235-E238 WeakPolarHBondContact O-CB 2.84Å; E235-E238 PolarHBondContact O-N 2.9Å; D236-E238 VanDerWaalsContact C-N 3.3Å; D236-E238 PolarHBondContact O-N 3.32Å; E238-G241 PolarHBondContact O-N 3.46Å; E238-F242 WeakPolarHBondContact O-CB 3.32Å; E238-F242 PolarHBondContact O-N 3.05Å
239L93.7Very high91.5Very high1 Ų133.5 Ų33.51%0.00519%0.192CC..Hα-helixtrans-65.5-43.9173.9-177.559.2000111.2I234 E235 D236 G241 F242 L243 K263 L267 I278I234-L239 HydrophobicContact CG2-CB 4.08Å; I234-L239 HydrophobicContact CG2-CD1 4.34Å; E235-L239 PolarHBondContact O-N 2.82Å; E235-L239 VanDerWaalsContact O-N 3.09Å; D236-L239 PolarHBondContact O-N 3.22Å; L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 3.23Å; L239-F242 HydrophobicContact CD1-CD1 4.35Å; L239-F242 PolarHBondContact O-N 2.72Å; L239-L243 HydrophobicContact CD1-CD1 3.96Å; L239-L243 HydrophobicContact CD1-CD2 4.49Å; L239-L243 HydrophobicContact CD1-CG 3.97Å; L239-L243 HydrophobicContact CG-CD1 3.85Å; L239-L243 HydrophobicContact CG-CG 4.3Å; L239-L243 WeakPolarHBondContact O-CB 3.3Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 2.78Å; L239-K263 HydrophobicContact CD2-CG 4.41Å; L239-L267 HydrophobicContact CD2-CD1 4.42Å; L239-L267 HydrophobicContact CD2-CD2 4.13Å; L239-I278 HydrophobicContact CD1-CG1 3.84Å
240S94Very high90.9Very high7 Ų732.9 Ų32.95%0.04920%0.2CC..Hα-helixtrans-58.8-44.9174.7-69.80000111.9D236 E237 L243 K244D236-S240 PolarHBondContact O-N 3.04Å; D236-S240 PolarHBondContact O-OG 3.2Å; E237-S240 PolarHBondContact O-N 3.16Å; S240-L243 PolarHBondContact O-N 2.96Å; S240-K244 WeakPolarHBondContact O-CB 3.48Å; S240-K244 PolarHBondContact O-N 3.29Å
241G92.9Very high90.6Very high0 Ų032.5 Ų32.50%018%0.184CC..Hα-helixtrans-65.5-41.1178.900000112.5S123 E237 E238 L239 K244 D245S123-G241 WeakPolarHBondContact CB-O 3.48Å; S123-G241 WeakPolarHBondContact O-CA 3.37Å; E237-G241 PolarHBondContact O-N 3.06Å; E238-G241 PolarHBondContact O-N 3.46Å; L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 3.23Å; G241-K244 PolarHBondContact O-N 3.22Å; G241-D245 PolarHBondContact O-N 3.45Å; G241-D245 VanDerWaalsContact O-N 3.11Å
242F91.6Very high90.2Very high3 Ų338 Ų381%0.01321%0.208CC..Hα-helixtrans-60.3-47.8173.1173-105.5000112.1L203 Y226 I234 E238 L239 D245 L246 L283 M286L203-F242 HydrophobicContact CD1-CD2 4.37Å; L203-F242 HydrophobicContact CD1-CE2 3.92Å; L203-F242 HydrophobicContact CD2-CE2 4.26Å; Y226-F242 HydrophobicContact CD1-CB 3.76Å; Y226-F242 HydrophobicContact CD1-CD2 4.44Å; Y226-F242 HydrophobicContact CD2-CB 4.43Å; Y226-F242 AromaticContact CD2-CD2 3.79Å; Y226-F242 HydrophobicContact CD2-CD2 3.79Å; Y226-F242 VanDerWaalsContact CE1-CA 3.47Å; Y226-F242 HydrophobicContact CE1-CB 4.03Å; Y226-F242 HydrophobicContact CE1-CD2 4.31Å; Y226-F242 AromaticContact CE2-CD2 3.64Å; Y226-F242 HydrophobicContact CE2-CD2 3.64Å; Y226-F242 HydrophobicContact CE2-CE2 4.35Å; Y226-F242 HydrophobicContact CG-CB 3.99Å; Y226-F242 HydrophobicContact CG-CD2 4.21Å; Y226-F242 AromaticContact CZ-CD2 3.92Å; I234-F242 HydrophobicContact CG2-CB 4.25Å; E238-F242 WeakPolarHBondContact O-CB 3.32Å; E238-F242 PolarHBondContact O-N 3.05Å; L239-F242 HydrophobicContact CD1-CD1 4.35Å; L239-F242 PolarHBondContact O-N 2.72Å; F242-D245 PolarHBondContact O-N 3.16Å; F242-L246 HydrophobicContact CE1-CD2 4.12Å; F242-L246 HydrophobicContact CZ-CD2 4.1Å; F242-L246 WeakPolarHBondContact O-CB 3.38Å; F242-L246 PolarHBondContact O-N 2.77Å; F242-L283 HydrophobicContact CE1-CD1 4.36Å; F242-L283 HydrophobicContact CE2-CD1 4.02Å; F242-L283 HydrophobicContact CZ-CD1 3.79Å; F242-M286 HydrophobicContact CE1-CE 3.57Å; F242-M286 HydrophobicContact CE2-CE 4.46Å; F242-M286 HydrophobicContact CZ-CE 3.27Å
243L91.9Very high90.1Very high1 Ų141.2 Ų41.21%0.00522%0.218CC..Hα-helixtrans-68.4-36.5-179.2-69174000112.1L239 S240 L246 L247 L259 F262 K263 I266L239-L243 HydrophobicContact CD1-CD1 3.96Å; L239-L243 HydrophobicContact CD1-CD2 4.49Å; L239-L243 HydrophobicContact CD1-CG 3.97Å; L239-L243 HydrophobicContact CG-CD1 3.85Å; L239-L243 HydrophobicContact CG-CG 4.3Å; L239-L243 WeakPolarHBondContact O-CB 3.3Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 2.78Å; S240-L243 PolarHBondContact O-N 2.96Å; L243-L246 PolarHBondContact O-N 3.46Å; L243-L247 VanDerWaalsContact O-CB 3.24Å; L243-L247 WeakPolarHBondContact O-CB 3.3Å; L243-L247 PolarHBondContact O-N 2.73Å; L243-L259 HydrophobicContact CB-CD1 3.67Å; L243-F262 HydrophobicContact CB-CD1 4.42Å; L243-F262 HydrophobicContact CD2-CD1 4.03Å; L243-F262 HydrophobicContact CD2-CE1 4.12Å; L243-K263 HydrophobicContact CD1-CB 3.48Å; L243-K263 VanDerWaalsContact CD1-CB 3.48Å; L243-K263 HydrophobicContact CD1-CD 4.32Å; L243-K263 HydrophobicContact CD1-CG 3.68Å; L243-I266 HydrophobicContact CD2-CB 4.01Å; L243-I266 HydrophobicContact CD2-CG1 3.74Å; L243-I266 HydrophobicContact CD2-CG2 4.06Å
244K92.1Very high90Very high3 Ų340.2 Ų40.21%0.01321%0.212CC..Hα-helixtrans-57.8-53172.5178.3-163.4163.7-68.30110.1S123 F126 M127 S240 G241 L246 L247 E248 Y254 L259S123-K244 PolarHBondContact OG-NZ 2.92Å; F126-K244 HydrophobicContact CD1-CD 3.63Å; F126-K244 HydrophobicContact CE1-CD 3.9Å; F126-K244 HydrophobicContact CG-CD 4.41Å; M127-K244 HydrophobicContact SD-CD 4.33Å; S240-K244 WeakPolarHBondContact O-CB 3.48Å; S240-K244 PolarHBondContact O-N 3.29Å; G241-K244 PolarHBondContact O-N 3.22Å; K244-L246 PolarHBondContact O-N 3.28Å; K244-L247 PolarHBondContact O-N 2.72Å; K244-L247 VanDerWaalsContact O-N 3.14Å; K244-E248 IonicContact NZ-OE1 3Å; K244-E248 IonicContact NZ-OE2 3.49Å; K244-E248 PolarHBondContact NZ-OE2 3.28Å; K244-E248 WeakPolarHBondContact O-CB 3.49Å; K244-E248 PolarHBondContact O-N 2.99Å; K244-Y254 HydrophobicContact CG-CE2 4.29Å; K244-L259 HydrophobicContact CB-CD1 4.39Å
245D89.8Confident90Very high0 Ų041.4 Ų41.40%022%0.219CC..Hα-helixtrans-58.9-37.5179.8-82.3-11.2000111.9S123 N201 L203 Y226 G241 F242 L249S123-D245 WeakPolarHBondContact CB-OD1 3.28Å; S123-D245 PolarHBondContact OG-OD1 3.37Å; N201-D245 WeakPolarHBondContact ND2-CA 3.33Å; N201-D245 PolarHBondContact ND2-O 3.22Å; N201-D245 WeakPolarHBondContact OD1-CB 3.38Å; L203-D245 HydrophobicContact CD1-CB 3.87Å; L203-D245 HydrophobicContact CG-CB 4.25Å; Y226-D245 WeakPolarHBondContact CE1-OD2 3.47Å; Y226-D245 WeakPolarHBondContact OH-CB 3.36Å; Y226-D245 PolarHBondContact OH-OD2 2.99Å; G241-D245 PolarHBondContact O-N 3.45Å; G241-D245 VanDerWaalsContact O-N 3.11Å; F242-D245 PolarHBondContact O-N 3.16Å; D245-L249 WeakPolarHBondContact O-CG 3.37Å
246L85Confident90.1Very high19 Ų1941.4 Ų41.410%0.09922%0.218CC..Hα-helixtrans-72.5-36.7178.1-173.163.4000112.5L203 F242 L243 K244 L249 F262 I266 M286L203-L246 HydrophobicContact CD1-CB 3.97Å; L203-L246 HydrophobicContact CD1-CD1 4.19Å; F242-L246 HydrophobicContact CE1-CD2 4.12Å; F242-L246 HydrophobicContact CZ-CD2 4.1Å; F242-L246 WeakPolarHBondContact O-CB 3.38Å; F242-L246 PolarHBondContact O-N 2.77Å; L243-L246 PolarHBondContact O-N 3.46Å; K244-L246 PolarHBondContact O-N 3.28Å; L246-L249 PolarHBondContact O-N 3.43Å; L246-F262 HydrophobicContact CB-CE1 4.06Å; L246-F262 HydrophobicContact CD2-CE1 3.68Å; L246-F262 HydrophobicContact CD2-CZ 3.7Å; L246-F262 HydrophobicContact CG-CE1 3.81Å; L246-F262 HydrophobicContact CG-CZ 3.91Å; L246-I266 HydrophobicContact CD2-CD1 4.36Å; L246-M286 HydrophobicContact CD2-CE 4.44Å
247L86.5Confident90.2Very high10 Ų1042.3 Ų42.35%0.05222%0.223CC..Hα-helixtrans-70.4-40.6178.3-171.162.2000111.5L243 K244 L249 A250 Q251 Y254 D258 L259 F262L243-L247 VanDerWaalsContact O-CB 3.24Å; L243-L247 WeakPolarHBondContact O-CB 3.3Å; L243-L247 PolarHBondContact O-N 2.73Å; K244-L247 PolarHBondContact O-N 2.72Å; K244-L247 VanDerWaalsContact O-N 3.14Å; L247-L249 PolarHBondContact O-N 3.25Å; L247-A250 WeakPolarHBondContact O-CA 3.22Å; L247-A250 WeakPolarHBondContact O-CB 3.09Å; L247-A250 PolarHBondContact O-N 3.5Å; L247-Q251 HydrophobicContact CD1-CG 4.1Å; L247-Q251 HydrophobicContact CG-CG 4.2Å; L247-Q251 PolarHBondContact O-N 2.8Å; L247-Y254 HydrophobicContact CD2-CD2 3.86Å; L247-Y254 HydrophobicContact CD2-CG 3.8Å; L247-Y254 HydrophobicContact CG-CD1 4.45Å; L247-Y254 HydrophobicContact CG-CG 4.2Å; L247-D258 HydrophobicContact CD2-CB 4.28Å; L247-L259 HydrophobicContact CD2-CB 4.46Å; L247-L259 HydrophobicContact CD2-CD1 4.28Å; L247-F262 HydrophobicContact CB-CD1 4.27Å; L247-F262 HydrophobicContact CB-CE1 4.47Å; L247-F262 HydrophobicContact CD1-CB 4.46Å; L247-F262 HydrophobicContact CD1-CD1 4.2Å; L247-F262 HydrophobicContact CD1-CG 4.23Å
248E86Confident90.2Very high76 Ų7642.4 Ų42.436%0.35523%0.226SC..Hα-helixtrans-63.2-21.7176.9-169.3172-165.700112.7K244 A250 Y254K244-E248 IonicContact NZ-OE1 3Å; K244-E248 IonicContact NZ-OE2 3.49Å; K244-E248 PolarHBondContact NZ-OE2 3.28Å; K244-E248 WeakPolarHBondContact O-CB 3.49Å; K244-E248 PolarHBondContact O-N 2.99Å; E248-A250 VanDerWaalsContact C-N 3.34Å; E248-Y254 HydrophobicContact CB-CE1 4.07Å; E248-Y254 HydrophobicContact CG-CE1 4.27Å
249L81.7Confident90.1Very high77 Ų7742.1 Ų42.140%0.40322%0.224SC..THydrogen-bonded Turntrans-76.4-20.5169.9-70.7176.5000113.6L203 C204 D245 L246 L247L203-L249 HydrophobicContact CB-CD1 3.61Å; L203-L249 HydrophobicContact CD1-CD1 4.44Å; C204-L249 VanDerWaalsContact SG-CD2 3.56Å; D245-L249 WeakPolarHBondContact O-CG 3.37Å; L246-L249 PolarHBondContact O-N 3.43Å; L247-L249 PolarHBondContact O-N 3.25Å
250A80.5Confident90.1Very high85 Ų8545.4 Ų45.470%0.70224%0.24SC*.THydrogen-bonded Turntrans-103.3-35.9-173.700000112.9L247 E248L247-A250 WeakPolarHBondContact O-CA 3.22Å; L247-A250 WeakPolarHBondContact O-CB 3.09Å; L247-A250 PolarHBondContact O-N 3.5Å; E248-A250 VanDerWaalsContact C-N 3.34Å
251Q86Confident90.1Very high73 Ų7351.5 Ų51.534%0.34127%0.266SS..  trans-146.1145.5178.165.6-177.54.800111.4L247 D253 Y254L247-Q251 HydrophobicContact CD1-CG 4.1Å; L247-Q251 HydrophobicContact CG-CG 4.2Å; L247-Q251 PolarHBondContact O-N 2.8Å; Q251-D253 VanDerWaalsContact CD-O 3.27Å; Q251-D253 WeakPolarHBondContact CG-O 3.18Å; Q251-Y254 HydrophobicContact CG-CD1 4.31Å; Q251-Y254 VanDerWaalsContact NE2-CB 3.35Å
252E85.8Confident90Very high184 Ų18453.6 Ų53.686%0.8628%0.275SS*.SBendtrans-82.7-34.7177.9-67.6178.817500112S190S190-E252 WeakPolarHBondContact CB-O 3.18Å
253D91.3Very high90.1Very high95 Ų9555.7 Ų55.751%0.50828%0.284SS..SBendtrans-103.3119.4-178.4-167.638.6000109.9Q188 Q251Q188-D253 PolarHBondContact NE2-OD1 2.89Å; Q251-D253 VanDerWaalsContact CD-O 3.27Å; Q251-D253 WeakPolarHBondContact CG-O 3.18Å
254Y93.3Very high90.2Very high3 Ų360.9 Ų60.91%0.01231%0.307CS..  trans-160.9150-178.260.3-94.4000112L189 S190 K244 L247 E248 Q251 D258L189-Y254 HydrophobicContact CB-CD2 4.06Å; L189-Y254 HydrophobicContact CB-CE2 4Å; L189-Y254 HydrophobicContact CD2-CD2 3.82Å; L189-Y254 HydrophobicContact CD2-CE2 3.58Å; L189-Y254 HydrophobicContact CG-CD2 4.23Å; L189-Y254 HydrophobicContact CG-CE2 3.8Å; S190-Y254 WeakPolarHBondContact CB-O 3.37Å; S190-Y254 PolarHBondContact N-O 2.85Å; S190-Y254 VanDerWaalsContact N-O 3.08Å; S190-Y254 PolarHBondContact OG-O 3.36Å; K244-Y254 HydrophobicContact CG-CE2 4.29Å; L247-Y254 HydrophobicContact CD2-CD2 3.86Å; L247-Y254 HydrophobicContact CD2-CG 3.8Å; L247-Y254 HydrophobicContact CG-CD1 4.45Å; L247-Y254 HydrophobicContact CG-CG 4.2Å; E248-Y254 HydrophobicContact CB-CE1 4.07Å; E248-Y254 HydrophobicContact CG-CE1 4.27Å; Q251-Y254 HydrophobicContact CG-CD1 4.31Å; Q251-Y254 VanDerWaalsContact NE2-CB 3.35Å; Y254-D258 WeakPolarHBondContact CA-OD2 3.4Å
255D94.5Very high90.1Very high26 Ų2662.8 Ų62.814%0.13932%0.318CS..  trans-117.6-174.5175.867.518.7000112.9Y140 Q188 D257 D258 L259Y140-D255 HydrophobicContact CE1-CB 4.41Å; Y140-D255 PolarHBondContact OH-OD2 3.15Å; Q188-D255 HydrophobicContact CB-CB 4.16Å; D255-D257 VanDerWaalsContact C-N 3.3Å; D255-D257 WeakPolarHBondContact OD1-CA 3.45Å; D255-D257 WeakPolarHBondContact OD1-CB 3.36Å; D255-D257 PolarHBondContact OD1-N 3.03Å; D255-D258 PolarHBondContact N-OD2 2.94Å; D255-D258 PolarHBondContact OD1-N 3.19Å; D255-L259 PolarHBondContact O-N 2.93Å
256E94.3Very high90.1Very high37 Ų3763.2 Ų63.217%0.17332%0.321CS..Hα-helixtrans-67.3-31.1177.9-170.175.9-162.900111.9W130 L259 E260W130-E256 PolarHBondContact NE1-OE2 3.19Å; E256-L259 PolarHBondContact O-N 2.84Å; E256-E260 WeakPolarHBondContact O-CB 3.39Å; E256-E260 PolarHBondContact O-N 2.89Å
257D94.3Very high90.5Very high117 Ų11763.6 Ų63.663%0.62632%0.323SS*.Hα-helixtrans-69.6-40.1178.8-86.2-18.1000110.9D255 E260 F261D255-D257 VanDerWaalsContact C-N 3.3Å; D255-D257 WeakPolarHBondContact OD1-CA 3.45Å; D255-D257 WeakPolarHBondContact OD1-CB 3.36Å; D255-D257 PolarHBondContact OD1-N 3.03Å; D257-E260 PolarHBondContact O-N 3.06Å; D257-F261 WeakPolarHBondContact O-CB 3.49Å; D257-F261 PolarHBondContact O-N 2.95Å
258D94Very high90.8Very high63 Ų6369.9 Ų69.934%0.33736%0.356SS..Hα-helixtrans-60.4-44.6170.7-75-36.6000111.5L247 Y254 D255 E260 F261 F262L247-D258 HydrophobicContact CD2-CB 4.28Å; Y254-D258 WeakPolarHBondContact CA-OD2 3.4Å; D255-D258 PolarHBondContact N-OD2 2.94Å; D255-D258 PolarHBondContact OD1-N 3.19Å; D258-E260 PolarHBondContact O-N 3.3Å; D258-F261 PolarHBondContact O-N 2.9Å; D258-F262 VanDerWaalsContact O-CB 3.26Å; D258-F262 WeakPolarHBondContact O-CB 3.48Å; D258-F262 PolarHBondContact O-N 2.82Å
259L93.6Very high90.9Very high4 Ų472.1 Ų72.12%0.02137%0.367CS..Hα-helixtrans-61.9-44177.2-173.170000111.3M127 L189 L243 K244 L247 D255 E256 F262 K263M127-L259 HydrophobicContact CE-CD2 3.72Å; M127-L259 HydrophobicContact SD-CD2 4.29Å; L189-L259 HydrophobicContact CD2-CB 4.24Å; L189-L259 HydrophobicContact CD2-CD2 3.83Å; L189-L259 HydrophobicContact CD2-CG 4.49Å; L243-L259 HydrophobicContact CB-CD1 3.67Å; K244-L259 HydrophobicContact CB-CD1 4.39Å; L247-L259 HydrophobicContact CD2-CB 4.46Å; L247-L259 HydrophobicContact CD2-CD1 4.28Å; D255-L259 PolarHBondContact O-N 2.93Å; E256-L259 PolarHBondContact O-N 2.84Å; L259-F262 PolarHBondContact O-N 3.49Å; L259-K263 WeakPolarHBondContact O-CB 3.39Å; L259-K263 PolarHBondContact O-N 2.95Å
260E93.7Very high91.3Very high71 Ų7170.2 Ų70.233%0.33235%0.354SS..Hα-helixtrans-69.8-36.4179.2-179.757.4-154.100112E256 D257 D258 K264E256-E260 WeakPolarHBondContact O-CB 3.39Å; E256-E260 PolarHBondContact O-N 2.89Å; D257-E260 PolarHBondContact O-N 3.06Å; D258-E260 PolarHBondContact O-N 3.3Å; E260-K264 WeakPolarHBondContact O-CG 3.44Å; E260-K264 PolarHBondContact O-N 3.41Å; E260-K264 VanDerWaalsContact O-N 3.13Å; E260-K264 WeakPolarHBondContact OE1-CE 3.48Å; E260-K264 IonicContact OE1-NZ 2.78Å; E260-K264 PolarHBondContact OE1-NZ 2.72Å
261F93.4Very high91.9Very high135 Ų13566.9 Ų66.959%0.59232%0.324SS*.Hα-helixtrans-62.7-47.2170.2176.1-100.7000110.9D257 D258 K263 K264 V265D257-F261 WeakPolarHBondContact O-CB 3.49Å; D257-F261 PolarHBondContact O-N 2.95Å; D258-F261 PolarHBondContact O-N 2.9Å; F261-K263 VanDerWaalsContact C-N 3.33Å; F261-K263 PolarHBondContact O-N 2.95Å; F261-K264 WeakPolarHBondContact O-CB 3.31Å; F261-K264 PolarHBondContact O-N 2.73Å; F261-V265 HydrophobicContact CD1-CG2 4.31Å; F261-V265 HydrophobicContact CE1-CG2 3.84Å; F261-V265 HydrophobicContact CE2-CG2 4.31Å; F261-V265 HydrophobicContact CZ-CG2 3.84Å; F261-V265 WeakPolarHBondContact O-CG2 3.33Å; F261-V265 PolarHBondContact O-N 3.27Å
262F91.2Very high92.1Very high44 Ų4467.9 Ų67.919%0.19334%0.336CS..Hα-helixtrans-63.5-40.1179.8-169-127.8000111.7L243 L246 L247 D258 L259 K264 V265 I266L243-F262 HydrophobicContact CB-CD1 4.42Å; L243-F262 HydrophobicContact CD2-CD1 4.03Å; L243-F262 HydrophobicContact CD2-CE1 4.12Å; L246-F262 HydrophobicContact CB-CE1 4.06Å; L246-F262 HydrophobicContact CD2-CE1 3.68Å; L246-F262 HydrophobicContact CD2-CZ 3.7Å; L246-F262 HydrophobicContact CG-CE1 3.81Å; L246-F262 HydrophobicContact CG-CZ 3.91Å; L247-F262 HydrophobicContact CB-CD1 4.27Å; L247-F262 HydrophobicContact CB-CE1 4.47Å; L247-F262 HydrophobicContact CD1-CB 4.46Å; L247-F262 HydrophobicContact CD1-CD1 4.2Å; L247-F262 HydrophobicContact CD1-CG 4.23Å; D258-F262 VanDerWaalsContact O-CB 3.26Å; D258-F262 WeakPolarHBondContact O-CB 3.48Å; D258-F262 PolarHBondContact O-N 2.82Å; L259-F262 PolarHBondContact O-N 3.49Å; F262-K264 PolarHBondContact O-N 3Å; F262-V265 PolarHBondContact O-N 3.18Å; F262-V265 VanDerWaalsContact O-N 3.16Å; F262-I266 HydrophobicContact CD1-CG1 4.42Å; F262-I266 HydrophobicContact CD2-CG1 4.38Å; F262-I266 HydrophobicContact CE1-CG1 4.18Å; F262-I266 HydrophobicContact CE2-CD1 4.13Å; F262-I266 HydrophobicContact CE2-CG1 4.12Å; F262-I266 HydrophobicContact CZ-CD1 3.98Å; F262-I266 HydrophobicContact CZ-CG1 4.02Å; F262-I266 WeakPolarHBondContact O-CG1 3.38Å; F262-I266 PolarHBondContact O-N 3.03Å
263K93.1Very high92.4Very high47 Ų4763.1 Ų63.120%0.20432%0.316CS..Hα-helixtrans-54.4-49.5171.4-177.6175.5176.21790112L239 L243 L259 F261 V265 I266 L267L239-K263 HydrophobicContact CD2-CG 4.41Å; L243-K263 HydrophobicContact CD1-CB 3.48Å; L243-K263 VanDerWaalsContact CD1-CB 3.48Å; L243-K263 HydrophobicContact CD1-CD 4.32Å; L243-K263 HydrophobicContact CD1-CG 3.68Å; L259-K263 WeakPolarHBondContact O-CB 3.39Å; L259-K263 PolarHBondContact O-N 2.95Å; F261-K263 VanDerWaalsContact C-N 3.33Å; F261-K263 PolarHBondContact O-N 2.95Å; K263-V265 VanDerWaalsContact C-N 3.31Å; K263-V265 PolarHBondContact O-N 3.4Å; K263-I266 PolarHBondContact O-N 3.18Å; K263-L267 HydrophobicContact CG-CD1 3.91Å; K263-L267 HydrophobicContact CG-CG 4.44Å; K263-L267 WeakPolarHBondContact O-CB 3.39Å; K263-L267 WeakPolarHBondContact O-CG 3.06Å; K263-L267 PolarHBondContact O-N 3.09Å
264K93.4Very high92.5Very high109 Ų10964.8 Ų64.847%0.47433%0.325SS..Hα-helixtrans-60.8-40177.6-72.5165.6-176.61490112E260 F261 F262 N268E260-K264 WeakPolarHBondContact O-CG 3.44Å; E260-K264 PolarHBondContact O-N 3.41Å; E260-K264 VanDerWaalsContact O-N 3.13Å; E260-K264 WeakPolarHBondContact OE1-CE 3.48Å; E260-K264 IonicContact OE1-NZ 2.78Å; E260-K264 PolarHBondContact OE1-NZ 2.72Å; F261-K264 WeakPolarHBondContact O-CB 3.31Å; F261-K264 PolarHBondContact O-N 2.73Å; F262-K264 PolarHBondContact O-N 3Å; K264-N268 VanDerWaalsContact O-CB 3.23Å; K264-N268 WeakPolarHBondContact O-CB 3.26Å; K264-N268 PolarHBondContact O-N 3.14Å; K264-N268 PolarHBondContact O-ND2 3.22Å; K264-N268 VanDerWaalsContact O-ND2 3.16Å
265V91.7Very high92.6Very high43 Ų4368 Ų6826%0.26134%0.342SS..Hα-helixtrans-65.7-46.1177.4173.40000111F261 F262 K263 Q269F261-V265 HydrophobicContact CD1-CG2 4.31Å; F261-V265 HydrophobicContact CE1-CG2 3.84Å; F261-V265 HydrophobicContact CE2-CG2 4.31Å; F261-V265 HydrophobicContact CZ-CG2 3.84Å; F261-V265 WeakPolarHBondContact O-CG2 3.33Å; F261-V265 PolarHBondContact O-N 3.27Å; F262-V265 PolarHBondContact O-N 3.18Å; F262-V265 VanDerWaalsContact O-N 3.16Å; K263-V265 VanDerWaalsContact C-N 3.31Å; K263-V265 PolarHBondContact O-N 3.4Å; V265-Q269 WeakPolarHBondContact O-CB 3.4Å; V265-Q269 WeakPolarHBondContact O-CG 3.47Å; V265-Q269 PolarHBondContact O-N 2.94Å
266I88.7Confident92.5Very high9 Ų968.4 Ų68.45%0.04635%0.352CS..Hα-helixtrans-65-49.3-179.6-68.9-63.1000110.9L243 L246 F262 K263 N268 Q269 W270 I278 M286L243-I266 HydrophobicContact CD2-CB 4.01Å; L243-I266 HydrophobicContact CD2-CG1 3.74Å; L243-I266 HydrophobicContact CD2-CG2 4.06Å; L246-I266 HydrophobicContact CD2-CD1 4.36Å; F262-I266 HydrophobicContact CD1-CG1 4.42Å; F262-I266 HydrophobicContact CD2-CG1 4.38Å; F262-I266 HydrophobicContact CE1-CG1 4.18Å; F262-I266 HydrophobicContact CE2-CD1 4.13Å; F262-I266 HydrophobicContact CE2-CG1 4.12Å; F262-I266 HydrophobicContact CZ-CD1 3.98Å; F262-I266 HydrophobicContact CZ-CG1 4.02Å; F262-I266 WeakPolarHBondContact O-CG1 3.38Å; F262-I266 PolarHBondContact O-N 3.03Å; K263-I266 PolarHBondContact O-N 3.18Å; I266-N268 PolarHBondContact O-N 2.95Å; I266-Q269 PolarHBondContact O-N 3.43Å; I266-W270 WeakPolarHBondContact O-CB 3.43Å; I266-W270 VanDerWaalsContact O-CD1 3.26Å; I266-W270 PolarHBondContact O-N 2.7Å; I266-I278 HydrophobicContact CG2-CD1 4.38Å; I266-M286 HydrophobicContact CD1-SD 4.07Å; I266-M286 HydrophobicContact CG2-SD 4.12Å
267L92.5Very high92.5Very high28 Ų2869.3 Ų69.315%0.14736%0.356CS..Hα-helixtrans-60.4-48.2177.9-68.1174.3000111L239 K263 Q269 W270 D271 I278L239-L267 HydrophobicContact CD2-CD1 4.42Å; L239-L267 HydrophobicContact CD2-CD2 4.13Å; K263-L267 HydrophobicContact CG-CD1 3.91Å; K263-L267 HydrophobicContact CG-CG 4.44Å; K263-L267 WeakPolarHBondContact O-CB 3.39Å; K263-L267 WeakPolarHBondContact O-CG 3.06Å; K263-L267 PolarHBondContact O-N 3.09Å; L267-Q269 PolarHBondContact O-N 3.18Å; L267-W270 PolarHBondContact O-N 3.3Å; L267-D271 HydrophobicContact CB-CB 4.19Å; L267-D271 HydrophobicContact CD2-CB 3.85Å; L267-D271 WeakPolarHBondContact O-CB 3.46Å; L267-D271 PolarHBondContact O-N 2.95Å; L267-I278 HydrophobicContact CD2-CD1 4.03Å; L267-I278 HydrophobicContact CD2-CG1 4.36Å
268N92.9Very high92.5Very high141 Ų14163.8 Ų63.875%0.75433%0.326SS*.Hα-helixtrans-59.3-26.1178.6-78.8-25.3000114.6K264 I266K264-N268 VanDerWaalsContact O-CB 3.23Å; K264-N268 WeakPolarHBondContact O-CB 3.26Å; K264-N268 PolarHBondContact O-N 3.14Å; K264-N268 PolarHBondContact O-ND2 3.22Å; K264-N268 VanDerWaalsContact O-ND2 3.16Å; I266-N268 PolarHBondContact O-N 2.95Å
269Q88.7Confident92.4Very high123 Ų12362.4 Ų62.458%0.57532%0.319SS*.Hα-helixtrans-94-33-179.1-72-179.817.100113.4V265 I266 L267V265-Q269 WeakPolarHBondContact O-CB 3.4Å; V265-Q269 WeakPolarHBondContact O-CG 3.47Å; V265-Q269 PolarHBondContact O-N 2.94Å; I266-Q269 PolarHBondContact O-N 3.43Å; L267-Q269 PolarHBondContact O-N 3.18Å
270W89.7Confident92.2Very high37 Ų3767.4 Ų67.414%0.1434%0.337CS..Hα-helixtrans-122.3-23.8-164-59105.9000114.3I266 L267 V272 I278 E282 M285 M286 Q289I266-W270 WeakPolarHBondContact O-CB 3.43Å; I266-W270 VanDerWaalsContact O-CD1 3.26Å; I266-W270 PolarHBondContact O-N 2.7Å; L267-W270 PolarHBondContact O-N 3.3Å; W270-V272 PolarHBondContact O-N 3.23Å; W270-I278 HydrophobicContact CB-CD1 4.37Å; W270-E282 WeakPolarHBondContact O-CB 2.77Å; W270-E282 WeakPolarHBondContact O-CG 3.45Å; W270-M285 HydrophobicContact CE3-CB 4.2Å; W270-M285 HydrophobicContact CZ3-CB 4.07Å; W270-M286 HydrophobicContact CD2-CB 3.56Å; W270-M286 HydrophobicContact CD2-CG 3.7Å; W270-M286 HydrophobicContact CD2-SD 4.5Å; W270-M286 VanDerWaalsContact CE3-CA 3.48Å; W270-M286 HydrophobicContact CE3-CB 3.69Å; W270-M286 HydrophobicContact CE3-CG 4.31Å; W270-M286 HydrophobicContact CG-CB 3.94Å; W270-M286 HydrophobicContact CG-CG 3.91Å; W270-M286 HydrophobicContact CG-SD 4.08Å; W270-M286 HydrophobicContact CZ2-CB 4.42Å; W270-M286 HydrophobicContact CZ2-CG 4.17Å; W270-M286 VanDerWaalsContact CZ3-CA 3.48Å; W270-M286 HydrophobicContact CZ3-CB 4.21Å; W270-Q289 HydrophobicContact CH2-CB 3.32Å; W270-Q289 HydrophobicContact CH2-CG 3.67Å; W270-Q289 HydrophobicContact CZ2-CB 4.06Å; W270-Q289 HydrophobicContact CZ2-CG 4.22Å; W270-Q289 HydrophobicContact CZ3-CB 4.15Å
271D93Very high92Very high15 Ų1569.6 Ų69.68%0.0835%0.351CS..  trans-77.587.8173174.86.8000108.7L267 N273 N274 D275 G276L267-D271 HydrophobicContact CB-CB 4.19Å; L267-D271 HydrophobicContact CD2-CB 3.85Å; L267-D271 WeakPolarHBondContact O-CB 3.46Å; L267-D271 PolarHBondContact O-N 2.95Å; D271-N273 PolarHBondContact OD1-OD1 3.3Å; D271-N274 WeakPolarHBondContact OD1-CA 3.31Å; D271-N274 PolarHBondContact OD1-N 2.95Å; D271-N274 WeakPolarHBondContact OD2-CA 3.34Å; D271-D275 PolarHBondContact OD1-N 3.13Å; D271-D275 VanDerWaalsContact OD1-N 3.16Å; D271-D275 PolarHBondContact OD2-N 3.47Å; D271-G276 VanDerWaalsContact OD2-CA 3.28Å; D271-G276 WeakPolarHBondContact OD2-CA 3.47Å; D271-G276 PolarHBondContact OD2-N 2.98Å
272V91.3Very high92Very high95 Ų9563.4 Ų63.458%0.57632%0.324SS*.SBendtrans-73.7-35.2-173.5177.10000110.2W270 N274 E282W270-V272 PolarHBondContact O-N 3.23Å; V272-N274 VanDerWaalsContact C-N 3.32Å; V272-N274 PolarHBondContact O-ND2 2.72Å; V272-E282 PolarHBondContact N-OE1 3.08Å
273N92.8Very high91.8Very high83 Ų8361.4 Ų61.444%0.44432%0.315SS..SBendtrans-84.2-9.4-178.175.56.8000112.9D271 D275 E282D271-N273 PolarHBondContact OD1-OD1 3.3Å; N273-D275 VanDerWaalsContact C-N 3.33Å; N273-D275 PolarHBondContact ND2-OD2 2.98Å; N273-D275 WeakPolarHBondContact OD1-CB 3.3Å; N273-D275 PolarHBondContact OD1-N 3.36Å; N273-D275 PolarHBondContact OD1-OD1 3.42Å; N273-D275 PolarHBondContact OD1-OD2 3.41Å; N273-E282 PolarHBondContact N-OE1 3.07Å
274N92.3Very high91.3Very high131 Ų13162.5 Ų62.570%0.70132%0.32SS*.  trans58.638.1-178.6-60.8-98.4000113D271 V272D271-N274 WeakPolarHBondContact OD1-CA 3.31Å; D271-N274 PolarHBondContact OD1-N 2.95Å; D271-N274 WeakPolarHBondContact OD2-CA 3.34Å; V272-N274 VanDerWaalsContact C-N 3.32Å; V272-N274 PolarHBondContact O-ND2 2.72Å
275D94.5Very high90.9Very high70 Ų7062.2 Ų62.237%0.37432%0.322SS..SBendtrans-90.8-3.5176.873.611.7000113.8D271 N273 K277D271-D275 PolarHBondContact OD1-N 3.13Å; D271-D275 VanDerWaalsContact OD1-N 3.16Å; D271-D275 PolarHBondContact OD2-N 3.47Å; N273-D275 VanDerWaalsContact C-N 3.33Å; N273-D275 PolarHBondContact ND2-OD2 2.98Å; N273-D275 WeakPolarHBondContact OD1-CB 3.3Å; N273-D275 PolarHBondContact OD1-N 3.36Å; N273-D275 PolarHBondContact OD1-OD1 3.42Å; N273-D275 PolarHBondContact OD1-OD2 3.41Å; D275-K277 VanDerWaalsContact C-N 3.29Å; D275-K277 WeakPolarHBondContact OD1-CA 3.45Å; D275-K277 WeakPolarHBondContact OD1-CB 3.35Å; D275-K277 WeakPolarHBondContact OD1-CG 3.23Å; D275-K277 PolarHBondContact OD1-N 2.81Å
276G92.7Very high90.5Very high34 Ų3460.4 Ų60.435%0.35131%0.311SS..SBendtrans80.47.3-179.100000113.9D271D271-G276 VanDerWaalsContact OD2-CA 3.28Å; D271-G276 WeakPolarHBondContact OD2-CA 3.47Å; D271-G276 PolarHBondContact OD2-N 2.98Å
277K94.7Very high89.9Confident57 Ų5760.8 Ų60.825%0.24831%0.313CS..SBendtrans-119.8172.3-178.1-41.6-177.1-174.2-154.20109.9T233 E235 D275T233-K277 HydrophobicContact CG2-CB 4.45Å; T233-K277 HydrophobicContact CG2-CD 4.11Å; T233-K277 WeakPolarHBondContact OG1-CD 3.36Å; E235-K277 HydrophobicContact CB-CB 4.16Å; E235-K277 HydrophobicContact CB-CD 4.04Å; E235-K277 HydrophobicContact CB-CG 3.88Å; E235-K277 HydrophobicContact CG-CD 4.41Å; E235-K277 IonicContact OE1-NZ 3.41Å; E235-K277 PolarHBondContact OE1-NZ 3.18Å; E235-K277 VanDerWaalsContact OE2-CD 3.24Å; E235-K277 WeakPolarHBondContact OE2-CD 3.4Å; E235-K277 WeakPolarHBondContact OE2-CE 3.18Å; E235-K277 IonicContact OE2-NZ 3.58Å; E235-K277 PolarHBondContact OE2-NZ 2.91Å; D275-K277 VanDerWaalsContact C-N 3.29Å; D275-K277 WeakPolarHBondContact OD1-CA 3.45Å; D275-K277 WeakPolarHBondContact OD1-CB 3.35Å; D275-K277 WeakPolarHBondContact OD1-CG 3.23Å; D275-K277 PolarHBondContact OD1-N 2.81Å
278I93.8Very high89Confident1 Ų163.8 Ų63.81%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-118.9111.3172.6-60.8-65.6000109F223 I234 L239 I266 L267 W270 E282 L283F223-I278 WeakPolarHBondContact CE2-O 3.46Å; I234-I278 HydrophobicContact CB-CB 4.36Å; I234-I278 PolarHBondContact N-O 3.42Å; I234-I278 PolarHBondContact O-N 3.45Å; L239-I278 HydrophobicContact CD1-CG1 3.84Å; I266-I278 HydrophobicContact CG2-CD1 4.38Å; L267-I278 HydrophobicContact CD2-CD1 4.03Å; L267-I278 HydrophobicContact CD2-CG1 4.36Å; W270-I278 HydrophobicContact CB-CD1 4.37Å; I278-E282 HydrophobicContact CG2-CB 4.2Å; I278-L283 HydrophobicContact CG2-CB 3.89Å
279N93.6Very high88.1Confident33 Ų3360.6 Ų60.618%0.17631%0.308CS..EExtended strand (participates in β ladder)trans-85.2173.2173.170.154.9000112F223 T233 D281 E282 L283F223-N279 VanDerWaalsContact CE2-C 3.42Å; T233-N279 HydrophobicContact CG2-CB 4.27Å; N279-D281 VanDerWaalsContact C-N 3.31Å; N279-D281 PolarHBondContact O-N 3.26Å; N279-D281 WeakPolarHBondContact OD1-CB 3.34Å; N279-D281 PolarHBondContact OD1-N 3.49Å; N279-E282 PolarHBondContact N-OE2 2.94Å; N279-E282 PolarHBondContact ND2-OE1 3.15Å; N279-E282 PolarHBondContact ND2-OE2 3.08Å; N279-E282 PolarHBondContact O-N 2.97Å; N279-E282 WeakPolarHBondContact OD1-CG 3.38Å; N279-E282 PolarHBondContact OD1-N 2.62Å; N279-L283 PolarHBondContact O-N 3.13Å
280R89.5Confident87Confident109 Ų10959 Ų5941%0.41130%0.3SS..Hα-helixtrans-57.9-40.4-177.7-72.5-172.9-175.7-148.64.2113.7D220 F223 K284D220-R280 IonicContact OD1-CZ 2.84Å; D220-R280 IonicContact OD1-NH1 2.88Å; D220-R280 PolarHBondContact OD1-NH1 3.45Å; F223-R280 HydrophobicContact CD1-CG 3.73Å; F223-R280 HydrophobicContact CD2-CB 4.32Å; F223-R280 HydrophobicContact CD2-CG 3.69Å; F223-R280 HydrophobicContact CE1-CG 3.73Å; F223-R280 HydrophobicContact CE2-CB 4.3Å; F223-R280 HydrophobicContact CE2-CG 3.74Å; F223-R280 VanDerWaalsContact CE2-N 3.32Å; F223-R280 HydrophobicContact CG-CG 3.7Å; F223-R280 HydrophobicContact CZ-CG 3.76Å; R280-K284 WeakPolarHBondContact O-CB 3.32Å; R280-K284 PolarHBondContact O-N 3.19Å
281D88.9Confident85.7Confident117 Ų11758 Ų5863%0.62630%0.299SS*.Hα-helixtrans-70.6-37.1-177.7-71.6-38.9000110.7N279 K284 M285N279-D281 VanDerWaalsContact C-N 3.31Å; N279-D281 PolarHBondContact O-N 3.26Å; N279-D281 WeakPolarHBondContact OD1-CB 3.34Å; N279-D281 PolarHBondContact OD1-N 3.49Å; D281-K284 WeakPolarHBondContact O-CB 3.08Å; D281-K284 PolarHBondContact O-N 3.1Å; D281-M285 WeakPolarHBondContact O-CG 3.33Å; D281-M285 PolarHBondContact O-N 3.21Å
282E92.2Very high84.1Confident6 Ų664.5 Ų64.53%0.02832%0.322CS..Hα-helixtrans-68.1-47.1176.1-67.9166.8164.300111.9W270 V272 N273 I278 N279 K284 M285 M286W270-E282 WeakPolarHBondContact O-CB 2.77Å; W270-E282 WeakPolarHBondContact O-CG 3.45Å; V272-E282 PolarHBondContact N-OE1 3.08Å; N273-E282 PolarHBondContact N-OE1 3.07Å; I278-E282 HydrophobicContact CG2-CB 4.2Å; N279-E282 PolarHBondContact N-OE2 2.94Å; N279-E282 PolarHBondContact ND2-OE1 3.15Å; N279-E282 PolarHBondContact ND2-OE2 3.08Å; N279-E282 PolarHBondContact O-N 2.97Å; N279-E282 WeakPolarHBondContact OD1-CG 3.38Å; N279-E282 PolarHBondContact OD1-N 2.62Å; E282-K284 VanDerWaalsContact C-N 3.26Å; E282-K284 PolarHBondContact O-N 3.25Å; E282-M285 PolarHBondContact O-N 2.93Å; E282-M285 VanDerWaalsContact O-N 3.17Å; E282-M286 PolarHBondContact O-N 2.98Å
283L88.1Confident82.3Confident1 Ų164.9 Ų64.91%0.00532%0.32CS..Hα-helixtrans-58.3-43.1174.5-176.566.2000110.8I219 A222 F223 I234 F242 I278 N279 M286 L287I219-L283 HydrophobicContact CG2-CD2 4.4Å; A222-L283 HydrophobicContact CB-CD2 4.47Å; F223-L283 HydrophobicContact CB-CD2 4.01Å; F223-L283 HydrophobicContact CD2-CB 4.21Å; F223-L283 HydrophobicContact CD2-CD2 3.64Å; F223-L283 HydrophobicContact CG-CD2 4.32Å; I234-L283 HydrophobicContact CD1-CD2 4.17Å; F242-L283 HydrophobicContact CE1-CD1 4.36Å; F242-L283 HydrophobicContact CE2-CD1 4.02Å; F242-L283 HydrophobicContact CZ-CD1 3.79Å; I278-L283 HydrophobicContact CG2-CB 3.89Å; N279-L283 PolarHBondContact O-N 3.13Å; L283-M286 HydrophobicContact CD1-CE 3.62Å; L283-M286 PolarHBondContact O-N 3.19Å; L283-L287 HydrophobicContact CD1-CD1 4.25Å; L283-L287 HydrophobicContact CD1-CG 4.3Å; L283-L287 HydrophobicContact CD2-CD1 4.43Å; L283-L287 HydrophobicContact CG-CD1 3.98Å; L283-L287 HydrophobicContact CG-CG 4.4Å; L283-L287 WeakPolarHBondContact O-CG 3.34Å; L283-L287 PolarHBondContact O-N 2.67Å
284K83.3Confident80Confident70 Ų7065.1 Ų65.130%0.30432%0.321SS..Hα-helixtrans-59.7-47.7176.5175.7163.1-175.6176.30111.6S216 I219 R280 D281 E282 M286 M288S216-K284 PolarHBondContact OG-NZ 3.29Å; I219-K284 HydrophobicContact CD1-CB 3.94Å; I219-K284 HydrophobicContact CD1-CD 4.06Å; I219-K284 HydrophobicContact CD1-CG 3.57Å; I219-K284 HydrophobicContact CG2-CB 4.06Å; R280-K284 WeakPolarHBondContact O-CB 3.32Å; R280-K284 PolarHBondContact O-N 3.19Å; D281-K284 WeakPolarHBondContact O-CB 3.08Å; D281-K284 PolarHBondContact O-N 3.1Å; E282-K284 VanDerWaalsContact C-N 3.26Å; E282-K284 PolarHBondContact O-N 3.25Å; K284-M286 VanDerWaalsContact C-N 3.31Å; K284-M286 PolarHBondContact O-N 2.81Å; K284-M288 HydrophobicContact CG-CG 4.44Å; K284-M288 HydrophobicContact CG-SD 3.92Å; K284-M288 WeakPolarHBondContact O-CB 3.39Å; K284-M288 WeakPolarHBondContact O-CG 3.19Å; K284-M288 PolarHBondContact O-N 3.08Å
285M84.1Confident77.9Confident103 Ų10361.4 Ų61.451%0.50731%0.305SS..Hα-helixtrans-59.3-44.3177.2-78.3-177.851.600111.6W270 D281 E282 M288 Q289W270-M285 HydrophobicContact CE3-CB 4.2Å; W270-M285 HydrophobicContact CZ3-CB 4.07Å; D281-M285 WeakPolarHBondContact O-CG 3.33Å; D281-M285 PolarHBondContact O-N 3.21Å; E282-M285 PolarHBondContact O-N 2.93Å; E282-M285 VanDerWaalsContact O-N 3.17Å; M285-M288 PolarHBondContact O-N 2.94Å; M285-Q289 PolarHBondContact O-N 2.87Å
286M83.4Confident75.6Confident5 Ų564.5 Ų64.53%0.02532%0.322CS..Hα-helixtrans-62-51.1179.6-174.6-178.177.300112.4F242 L246 I266 W270 E282 L283 K284 M288 Q289 Q290F242-M286 HydrophobicContact CE1-CE 3.57Å; F242-M286 HydrophobicContact CE2-CE 4.46Å; F242-M286 HydrophobicContact CZ-CE 3.27Å; L246-M286 HydrophobicContact CD2-CE 4.44Å; I266-M286 HydrophobicContact CD1-SD 4.07Å; I266-M286 HydrophobicContact CG2-SD 4.12Å; W270-M286 HydrophobicContact CD2-CB 3.56Å; W270-M286 HydrophobicContact CD2-CG 3.7Å; W270-M286 HydrophobicContact CD2-SD 4.5Å; W270-M286 VanDerWaalsContact CE3-CA 3.48Å; W270-M286 HydrophobicContact CE3-CB 3.69Å; W270-M286 HydrophobicContact CE3-CG 4.31Å; W270-M286 HydrophobicContact CG-CB 3.94Å; W270-M286 HydrophobicContact CG-CG 3.91Å; W270-M286 HydrophobicContact CG-SD 4.08Å; W270-M286 HydrophobicContact CZ2-CB 4.42Å; W270-M286 HydrophobicContact CZ2-CG 4.17Å; W270-M286 VanDerWaalsContact CZ3-CA 3.48Å; W270-M286 HydrophobicContact CZ3-CB 4.21Å; E282-M286 PolarHBondContact O-N 2.98Å; L283-M286 HydrophobicContact CD1-CE 3.62Å; L283-M286 PolarHBondContact O-N 3.19Å; K284-M286 VanDerWaalsContact C-N 3.31Å; K284-M286 PolarHBondContact O-N 2.81Å; M286-M288 VanDerWaalsContact C-N 3.33Å; M286-M288 PolarHBondContact O-N 3.22Å; M286-Q289 PolarHBondContact O-N 3.43Å; M286-Q290 PolarHBondContact O-N 3.27Å; M286-Q290 VanDerWaalsContact O-N 3.09Å
287L75.6Confident73.3Confident17 Ų1771.9 Ų71.99%0.08934%0.344CS..Hα-helixtrans-64.3-37.7179.7-68175.3000112F208 I214 I219 L283 S291F208-L287 HydrophobicContact CE1-CD1 4.47Å; I214-L287 HydrophobicContact CD1-CB 4.37Å; I219-L287 HydrophobicContact CG1-CD1 4.14Å; I219-L287 HydrophobicContact CG2-CD1 4.38Å; L283-L287 HydrophobicContact CD1-CD1 4.25Å; L283-L287 HydrophobicContact CD1-CG 4.3Å; L283-L287 HydrophobicContact CD2-CD1 4.43Å; L283-L287 HydrophobicContact CG-CD1 3.98Å; L283-L287 HydrophobicContact CG-CG 4.4Å; L283-L287 WeakPolarHBondContact O-CG 3.34Å; L283-L287 PolarHBondContact O-N 2.67Å; L287-S291 PolarHBondContact O-N 2.75Å; L287-S291 VanDerWaalsContact O-N 3.16Å
288M73.8Confident70.5Confident91 Ų9179 Ų7945%0.44838%0.383SS..Hα-helixtrans-70.1-29.6176.5-70.5-173.88600113K284 M285 M286 S291 R292K284-M288 HydrophobicContact CG-CG 4.44Å; K284-M288 HydrophobicContact CG-SD 3.92Å; K284-M288 WeakPolarHBondContact O-CB 3.39Å; K284-M288 WeakPolarHBondContact O-CG 3.19Å; K284-M288 PolarHBondContact O-N 3.08Å; M285-M288 PolarHBondContact O-N 2.94Å; M286-M288 VanDerWaalsContact C-N 3.33Å; M286-M288 PolarHBondContact O-N 3.22Å; M288-S291 VanDerWaalsContact O-CB 3.31Å; M288-S291 WeakPolarHBondContact O-CB 3.43Å; M288-R292 PolarHBondContact O-N 3.25Å
289Q75.2Confident69.3Low75 Ų7582.9 Ų82.935%0.3540%0.402SS..Hα-helixtrans-75.2-42.5175.6-174.468.212.200111.9W270 M285 M286 S291 R292 L293W270-Q289 HydrophobicContact CH2-CB 3.32Å; W270-Q289 HydrophobicContact CH2-CG 3.67Å; W270-Q289 HydrophobicContact CZ2-CB 4.06Å; W270-Q289 HydrophobicContact CZ2-CG 4.22Å; W270-Q289 HydrophobicContact CZ3-CB 4.15Å; M285-Q289 PolarHBondContact O-N 2.87Å; M286-Q289 PolarHBondContact O-N 3.43Å; Q289-S291 PolarHBondContact O-N 3.39Å; Q289-R292 PolarHBondContact O-N 3.07Å; Q289-R292 VanDerWaalsContact O-N 3.09Å; Q289-L293 HydrophobicContact CG-CD1 4.17Å; Q289-L293 PolarHBondContact O-N 2.93Å
290Q65Low68Low89 Ų8985.5 Ų85.542%0.41641%0.414SS..Hα-helixtrans-55.1-42173-83.4-120.419.400111.4M286 R292 L293 L294M286-Q290 PolarHBondContact O-N 3.27Å; M286-Q290 VanDerWaalsContact O-N 3.09Å; Q290-R292 PolarHBondContact O-N 3.19Å; Q290-L293 PolarHBondContact O-N 2.75Å; Q290-L294 WeakPolarHBondContact O-CG 3.34Å; Q290-L294 PolarHBondContact O-N 3.21Å
291S61.1Low66.8Low15 Ų1584.2 Ų84.211%0.10541%0.414CS..Hα-helixtrans-51-51.6170.9-178.70000114.1A211 S212 L287 M288 Q289 L294 S295A211-S291 VanDerWaalsContact C-CB 3.41Å; A211-S291 VanDerWaalsContact CB-CA 3.44Å; A211-S291 VanDerWaalsContact O-CB 3.28Å; A211-S291 WeakPolarHBondContact O-CB 3.28Å; A211-S291 PolarHBondContact O-OG 3Å; S212-S291 WeakPolarHBondContact CA-OG 3.43Å; S212-S291 PolarHBondContact N-OG 3.36Å; L287-S291 PolarHBondContact O-N 2.75Å; L287-S291 VanDerWaalsContact O-N 3.16Å; M288-S291 VanDerWaalsContact O-CB 3.31Å; M288-S291 WeakPolarHBondContact O-CB 3.43Å; Q289-S291 PolarHBondContact O-N 3.39Å; S291-L294 PolarHBondContact O-N 3.49Å; S291-S295 PolarHBondContact O-N 2.72Å; S291-S295 PolarHBondContact O-OG 2.99Å
292R59.4Low65.5Low153 Ų15382.3 Ų82.358%0.57740%0.402SS*.Hα-helixtrans-65.6-42.3-177.6-73.8-179.3-179.5172.20.9111.9M288 Q289 Q290 L294 S295 D296M288-R292 PolarHBondContact O-N 3.25Å; Q289-R292 PolarHBondContact O-N 3.07Å; Q289-R292 VanDerWaalsContact O-N 3.09Å; Q290-R292 PolarHBondContact O-N 3.19Å; R292-L294 VanDerWaalsContact C-N 3.3Å; R292-L294 PolarHBondContact O-N 3.29Å; R292-S295 WeakPolarHBondContact CA-OG 3.41Å; R292-S295 PolarHBondContact O-N 3.47Å; R292-S295 PolarHBondContact O-OG 3.36Å; R292-D296 PolarHBondContact O-N 3.27Å
293L54Low63.9Low102 Ų10287.1 Ų87.153%0.53443%0.425SS..Hα-helixtrans-65.3-33.7179.7-70.8169.2000112.6Q289 Q290Q289-L293 HydrophobicContact CG-CD1 4.17Å; Q289-L293 PolarHBondContact O-N 2.93Å; Q290-L293 PolarHBondContact O-N 2.75Å
294L45.1Very low62.2Low88 Ų8892.8 Ų92.846%0.46145%0.453SS..Hα-helixtrans-76.2-34.4174.9-71.7167.1000112.2Q290 S291 R292Q290-L294 WeakPolarHBondContact O-CG 3.34Å; Q290-L294 PolarHBondContact O-N 3.21Å; S291-L294 PolarHBondContact O-N 3.49Å; R292-L294 VanDerWaalsContact C-N 3.3Å; R292-L294 PolarHBondContact O-N 3.29Å
295S48Very low60.7Low53 Ų5394.4 Ų94.437%0.37146%0.463SS..Hα-helixtrans-71.6-29.3176.557.30000113.9S291 R292 K297S291-S295 PolarHBondContact O-N 2.72Å; S291-S295 PolarHBondContact O-OG 2.99Å; R292-S295 WeakPolarHBondContact CA-OG 3.41Å; R292-S295 PolarHBondContact O-N 3.47Å; R292-S295 PolarHBondContact O-OG 3.36Å; S295-K297 VanDerWaalsContact C-N 3.27Å; S295-K297 PolarHBondContact O-N 3.34Å
296D45.9Very low58.9Low135 Ų13593.8 Ų93.872%0.72246%0.46SS*.THydrogen-bonded Turntrans-79.6-7.4179.5-73.2-17.1000113.4R292R292-D296 PolarHBondContact O-N 3.27Å
297K44.2Very low56.9Low189 Ų189101.2 Ų101.282%0.82250%0.496SS*.THydrogen-bonded Turntrans-92.62175.6-81.2-175.2175.9179.80114S295S295-K297 VanDerWaalsContact C-N 3.27Å; S295-K297 PolarHBondContact O-N 3.34Å
298I35.4Very low55.2Low207 Ų207108.8 Ų108.8100%1.06253%0.533SS*.  trans-109.20177.1-55.8176.8000109

Retrieved 298 of 298 residues in 73.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).