A0A077ZFZ1_TRITR Loading...

E3 ubiquitin-protein ligase CBL

E3 ubiquitin-protein ligase which accepts ubiquitin from specific E2 ubiquitin-conjugating enzymes, and transfers it to substrates, generally promoting their degradation by the proteasome.

AlphaFold DB , UniProt , Accession A0A077ZFZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 496 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
1M50.5Low55.6Low154 Ų15486.3 Ų86.376%0.75944%0.442SS*.  0142.90-73.7-179.3-143.300108.4T244M1-T244 HydrophobicContact CE-CG2 3.72Å; M1-T244 HydrophobicContact SD-CG2 3.5Å; M1-T244 VanDerWaalsContact SD-CG2 3.5Å
2S51.4Low55.6Low88 Ų8881.8 Ų81.862%0.61543%0.433SS*.  trans-69.8138.5171.11710000109.8G4 T5 L6S2-G4 PolarHBondContact O-N 3.36Å; S2-G4 VanDerWaalsContact O-N 3.07Å; S2-T5 PolarHBondContact O-N 3.36Å; S2-T5 PolarHBondContact O-OG1 3.19Å; S2-L6 PolarHBondContact O-N 3.02Å
3F51.4Low55.7Low150 Ų15078.2 Ų78.266%0.65841%0.412SS*.Hα-helixtrans-45.5-39.6177.5-176-96.1000112.5T5 L6 W7F3-T5 PolarHBondContact O-N 3.07Å; F3-L6 PolarHBondContact O-N 3.35Å; F3-W7 AromaticContact CE1-CE3 3.89Å; F3-W7 HydrophobicContact CE1-CE3 3.89Å; F3-W7 HydrophobicContact CE1-CZ3 4.39Å; F3-W7 AromaticContact CZ-CE3 3.91Å; F3-W7 HydrophobicContact CZ-CE3 3.91Å; F3-W7 HydrophobicContact CZ-CZ3 4.18Å; F3-W7 WeakPolarHBondContact O-CB 3.37Å; F3-W7 PolarHBondContact O-N 3.48Å
4G46.5Very low55.3Low35 Ų3573.6 Ų73.636%0.36139%0.387SS..Hα-helixtrans-64.5-33.4179.800000115S2 N8S2-G4 PolarHBondContact O-N 3.36Å; S2-G4 VanDerWaalsContact O-N 3.07Å; G4-N8 PolarHBondContact O-N 3.36Å; G4-N8 PolarHBondContact O-ND2 3.02Å
5T55.7Low55.1Low70 Ų7074.9 Ų74.943%0.42940%0.4SS..Hα-helixtrans-75.4-34.6177.451.80000113S2 F3 R9S2-T5 PolarHBondContact O-N 3.36Å; S2-T5 PolarHBondContact O-OG1 3.19Å; F3-T5 PolarHBondContact O-N 3.07Å; T5-R9 WeakPolarHBondContact O-CG 3.27Å; T5-R9 PolarHBondContact O-N 3.1Å
6L60.6Low55Low44 Ų4475.8 Ų75.823%0.2340%0.401CS..Hα-helixtrans-69.8-42.9173.7-177.763.5000110.3S2 F3 N8 R9 L10 V243 T244S2-L6 PolarHBondContact O-N 3.02Å; F3-L6 PolarHBondContact O-N 3.35Å; L6-N8 PolarHBondContact O-N 3.43Å; L6-R9 PolarHBondContact O-N 3.26Å; L6-L10 HydrophobicContact CD1-CD1 4.41Å; L6-L10 HydrophobicContact CD1-CG 4.37Å; L6-L10 HydrophobicContact CG-CD1 3.96Å; L6-L10 HydrophobicContact CG-CG 4.35Å; L6-L10 WeakPolarHBondContact O-CG 3.49Å; L6-L10 PolarHBondContact O-N 2.97Å; L6-V243 HydrophobicContact CD1-CG1 3.82Å; L6-T244 HydrophobicContact CD1-CG2 4.06Å
7W52.9Low54.6Low104 Ų10471.6 Ų71.639%0.39438%0.379SS..Hα-helixtrans-54-52.7176.7-175.5-88.6000112.9F3 R9 L10 Q11 L199F3-W7 AromaticContact CE1-CE3 3.89Å; F3-W7 HydrophobicContact CE1-CE3 3.89Å; F3-W7 HydrophobicContact CE1-CZ3 4.39Å; F3-W7 AromaticContact CZ-CE3 3.91Å; F3-W7 HydrophobicContact CZ-CE3 3.91Å; F3-W7 HydrophobicContact CZ-CZ3 4.18Å; F3-W7 WeakPolarHBondContact O-CB 3.37Å; F3-W7 PolarHBondContact O-N 3.48Å; W7-R9 PolarHBondContact O-N 3.28Å; W7-L10 PolarHBondContact O-N 3.21Å; W7-Q11 WeakPolarHBondContact O-CB 3.39Å; W7-Q11 PolarHBondContact O-N 3.43Å; W7-L199 HydrophobicContact CD2-CD1 3.88Å; W7-L199 HydrophobicContact CE3-CD1 3.6Å; W7-L199 HydrophobicContact CH2-CD1 3.28Å; W7-L199 HydrophobicContact CH2-CG 4.04Å; W7-L199 HydrophobicContact CZ2-CD1 3.55Å; W7-L199 HydrophobicContact CZ3-CD1 3.3Å; W7-L199 HydrophobicContact CZ3-CG 4.01Å
8N62.3Low54Low108 Ų10873.9 Ų73.958%0.57839%0.389SS*.Hα-helixtrans-61.8-33.1-179.8-72.1-20.9000112.8G4 L6 G12G4-N8 PolarHBondContact O-N 3.36Å; G4-N8 PolarHBondContact O-ND2 3.02Å; L6-N8 PolarHBondContact O-N 3.43Å; N8-G12 PolarHBondContact O-N 2.97Å
9R68Low53.8Low91 Ų9172.9 Ų72.934%0.34340%0.399SS..Hα-helixtrans-75.2-41178-72.9174.5168.4-177.3-10.1112.1T5 L6 W7 Q11 G12 K13 V243 T244T5-R9 WeakPolarHBondContact O-CG 3.27Å; T5-R9 PolarHBondContact O-N 3.1Å; L6-R9 PolarHBondContact O-N 3.26Å; W7-R9 PolarHBondContact O-N 3.28Å; R9-Q11 VanDerWaalsContact C-N 3.34Å; R9-G12 PolarHBondContact O-N 3.03Å; R9-K13 WeakPolarHBondContact O-CG 3.44Å; R9-K13 PolarHBondContact O-N 3.28Å; R9-V243 HydrophobicContact CB-CG1 4.08Å; R9-V243 WeakPolarHBondContact CD-O 3.3Å; R9-T244 PolarHBondContact NH1-O 3.5Å; R9-T244 PolarHBondContact NH2-O 3.12Å
10L66.7Low53.6Low6 Ų671.7 Ų71.73%0.03139%0.392CS..Hα-helixtrans-61.3-44.5171.3-70.5172.5000110.4L6 W7 G12 K13 L14 L199 A203 V243L6-L10 HydrophobicContact CD1-CD1 4.41Å; L6-L10 HydrophobicContact CD1-CG 4.37Å; L6-L10 HydrophobicContact CG-CD1 3.96Å; L6-L10 HydrophobicContact CG-CG 4.35Å; L6-L10 WeakPolarHBondContact O-CG 3.49Å; L6-L10 PolarHBondContact O-N 2.97Å; W7-L10 PolarHBondContact O-N 3.21Å; L10-G12 PolarHBondContact O-N 3.21Å; L10-K13 CarbonylContact O-C 3.58Å; L10-K13 WeakPolarHBondContact O-CB 3.44Å; L10-K13 PolarHBondContact O-N 3.47Å; L10-K13 VanDerWaalsContact O-N 3.16Å; L10-L14 VanDerWaalsContact O-CG 3.26Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.19Å; L10-L199 HydrophobicContact CD1-CB 4.49Å; L10-A203 HydrophobicContact CD2-CB 3.54Å; L10-V243 HydrophobicContact CD2-CG1 3.89Å; L10-V243 HydrophobicContact CD2-CG2 4.35Å; L10-V243 HydrophobicContact CG-CG1 4.22Å
11Q45.9Very low53Low99 Ų9970.9 Ų70.946%0.46338%0.383SS..Hα-helixtrans-63.2-39.2176.2-169.9175.7-9.100112.6W7 R9 L14 T15W7-Q11 WeakPolarHBondContact O-CB 3.39Å; W7-Q11 PolarHBondContact O-N 3.43Å; R9-Q11 VanDerWaalsContact C-N 3.34Å; Q11-L14 CarbonylContact O-C 3.58Å; Q11-L14 WeakPolarHBondContact O-CB 3.26Å; Q11-L14 PolarHBondContact O-N 3.11Å; Q11-T15 PolarHBondContact O-N 2.73Å; Q11-T15 PolarHBondContact O-OG1 3.23Å
12G55Low52.5Low33 Ų3372.2 Ų72.234%0.3439%0.387SS..Hα-helixtrans-59.9-43.9171.500000112.5N8 R9 L10 T15 E16N8-G12 PolarHBondContact O-N 2.97Å; R9-G12 PolarHBondContact O-N 3.03Å; L10-G12 PolarHBondContact O-N 3.21Å; G12-T15 PolarHBondContact O-N 3.45Å; G12-E16 PolarHBondContact O-N 3.25Å
13K57.2Low52Low35 Ų3571.9 Ų71.915%0.15238%0.375CS..Hα-helixtrans-62.2-41.8172.9-76.5-73.3166-148.20112.5R9 L10 T15 E16 A17 A242R9-K13 WeakPolarHBondContact O-CG 3.44Å; R9-K13 PolarHBondContact O-N 3.28Å; L10-K13 CarbonylContact O-C 3.58Å; L10-K13 WeakPolarHBondContact O-CB 3.44Å; L10-K13 PolarHBondContact O-N 3.47Å; L10-K13 VanDerWaalsContact O-N 3.16Å; K13-T15 VanDerWaalsContact C-N 3.29Å; K13-T15 PolarHBondContact O-N 3.2Å; K13-E16 IonicContact NZ-OE2 2.66Å; K13-E16 PolarHBondContact NZ-OE2 3.2Å; K13-E16 PolarHBondContact O-N 2.93Å; K13-A17 WeakPolarHBondContact O-CB 3.46Å; K13-A17 PolarHBondContact O-N 3.28Å; K13-A242 WeakPolarHBondContact CE-O 3.32Å
14L50Low51.6Low13 Ų1365.7 Ų65.77%0.06835%0.351CS..Hα-helixtrans-63.5-35.6174.2-68.8176.6000111.4L10 Q11 A17 M18 L199 L202L10-L14 VanDerWaalsContact O-CG 3.26Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.19Å; Q11-L14 CarbonylContact O-C 3.58Å; Q11-L14 WeakPolarHBondContact O-CB 3.26Å; Q11-L14 PolarHBondContact O-N 3.11Å; L14-A17 CarbonylContact O-C 3.56Å; L14-A17 PolarHBondContact O-N 3.4Å; L14-M18 WeakPolarHBondContact O-CA 3.49Å; L14-M18 WeakPolarHBondContact O-CB 3.24Å; L14-M18 WeakPolarHBondContact O-CG 3.45Å; L14-M18 PolarHBondContact O-N 2.9Å; L14-L199 HydrophobicContact CD1-CB 4.39Å; L14-L199 HydrophobicContact CD1-CD1 4.45Å; L14-L199 HydrophobicContact CD1-CD2 3.71Å; L14-L199 HydrophobicContact CD1-CG 4.41Å; L14-L202 HydrophobicContact CD1-CD2 4.31Å; L14-L202 HydrophobicContact CD2-CB 3.86Å; L14-L202 HydrophobicContact CD2-CD2 3.3Å; L14-L202 HydrophobicContact CD2-CG 3.33Å; L14-L202 HydrophobicContact CG-CD2 4.41Å
15T52.3Low51Low94 Ų9472.5 Ų72.558%0.57737%0.373SS*.Hα-helixtrans-70-42175.7-47.80000111.2Q11 G12 K13 A17 G19Q11-T15 PolarHBondContact O-N 2.73Å; Q11-T15 PolarHBondContact O-OG1 3.23Å; G12-T15 PolarHBondContact O-N 3.45Å; K13-T15 VanDerWaalsContact C-N 3.29Å; K13-T15 PolarHBondContact O-N 3.2Å; T15-A17 VanDerWaalsContact C-N 3.28Å; T15-A17 PolarHBondContact O-N 3.29Å; T15-G19 PolarHBondContact O-N 3.27Å
16E53.9Low50.1Low89 Ų8978.4 Ų78.442%0.41640%0.396SS..Hα-helixtrans-61.4-37.9173.5-73.7178.6169.300112.1G12 K13 K133G12-E16 PolarHBondContact O-N 3.25Å; K13-E16 IonicContact NZ-OE2 2.66Å; K13-E16 PolarHBondContact NZ-OE2 3.2Å; K13-E16 PolarHBondContact O-N 2.93Å; E16-K133 PolarHBondContact O-NZ 3.47Å
17A48.2Very low49.1Very low4 Ų479 Ų793%0.03341%0.412CS..Hα-helixtrans-81.2-39.2179.200000113K13 L14 T15 G19 L20 T206K13-A17 WeakPolarHBondContact O-CB 3.46Å; K13-A17 PolarHBondContact O-N 3.28Å; L14-A17 CarbonylContact O-C 3.56Å; L14-A17 PolarHBondContact O-N 3.4Å; T15-A17 VanDerWaalsContact C-N 3.28Å; T15-A17 PolarHBondContact O-N 3.29Å; A17-G19 PolarHBondContact O-N 3.11Å; A17-L20 HydrophobicContact CB-CD1 4.37Å; A17-L20 VanDerWaalsContact O-CA 3.29Å; A17-L20 WeakPolarHBondContact O-CA 3.29Å; A17-L20 WeakPolarHBondContact O-CB 3.09Å; A17-L20 WeakPolarHBondContact O-CD1 3.44Å; A17-L20 WeakPolarHBondContact O-CG 3.14Å; A17-L20 PolarHBondContact O-N 3.36Å; A17-T206 HydrophobicContact CB-CG2 3.42Å; A17-T206 VanDerWaalsContact CB-CG2 3.42Å
18M43.8Very low48.7Very low113 Ų11376.2 Ų76.256%0.55741%0.409SS*.Hα-helixtrans-60-27.2179.4-83.5174.4140.400112.3L14 L20 W21L14-M18 WeakPolarHBondContact O-CA 3.49Å; L14-M18 WeakPolarHBondContact O-CB 3.24Å; L14-M18 WeakPolarHBondContact O-CG 3.45Å; L14-M18 PolarHBondContact O-N 2.9Å; M18-L20 PolarHBondContact O-N 3.29Å; M18-L20 VanDerWaalsContact O-N 3.13Å; M18-W21 PolarHBondContact O-N 3.42Å
19G50.6Low48Very low56 Ų5676.9 Ų76.958%0.57742%0.42SS*.Hα-helixtrans-59.6-15.8165.400000114.7T15 A17T15-G19 PolarHBondContact O-N 3.27Å; A17-G19 PolarHBondContact O-N 3.11Å
20L48.5Very low47.9Very low48 Ų4881.1 Ų81.125%0.25144%0.441SS..Hα-helixtrans-89.2-26.3172.1-50.9164000112.6A17 M18 K133 I137A17-L20 HydrophobicContact CB-CD1 4.37Å; A17-L20 VanDerWaalsContact O-CA 3.29Å; A17-L20 WeakPolarHBondContact O-CA 3.29Å; A17-L20 WeakPolarHBondContact O-CB 3.09Å; A17-L20 WeakPolarHBondContact O-CD1 3.44Å; A17-L20 WeakPolarHBondContact O-CG 3.14Å; A17-L20 PolarHBondContact O-N 3.36Å; M18-L20 PolarHBondContact O-N 3.29Å; M18-L20 VanDerWaalsContact O-N 3.13Å; L20-K133 HydrophobicContact CD2-CB 4.31Å; L20-K133 HydrophobicContact CD2-CD 4Å; L20-I137 HydrophobicContact CD2-CD1 4.26Å
21W41.1Very low48.5Very low54 Ų5486.4 Ų86.421%0.20547%0.466CS..Hα-helixtrans-91.9-6.6-166.4-67.789.4000114.8M18 E23 S24 L202 K205 T206 D214M18-W21 PolarHBondContact O-N 3.42Å; W21-E23 PolarHBondContact O-N 3.14Å; W21-S24 WeakPolarHBondContact CA-OG 3.49Å; W21-S24 PolarHBondContact O-N 2.88Å; W21-S24 VanDerWaalsContact O-N 3.16Å; W21-S24 PolarHBondContact O-OG 2.95Å; W21-L202 HydrophobicContact CZ2-CD1 4.43Å; W21-K205 HydrophobicContact CH2-CD 3.86Å; W21-K205 HydrophobicContact CZ2-CD 4.19Å; W21-T206 HydrophobicContact CZ2-CG2 4.15Å; W21-D214 WeakPolarHBondContact CH2-OD1 3.4Å; W21-D214 WeakPolarHBondContact CZ3-OD1 3.14Å
22H41Very low50.5Low183 Ų18382.3 Ų82.385%0.84745%0.448SS*.THydrogen-bonded Turntrans-671.3-176.8-127.7-68.4000114.4
23E40.1Very low52Low80 Ų8084.3 Ų84.337%0.37446%0.455SS..THydrogen-bonded Turntrans-121.6-3.4174.6-69.5-176.2171.300114.9W21 S108 H111W21-E23 PolarHBondContact O-N 3.14Å; E23-S108 VanDerWaalsContact OE2-CA 3.28Å; E23-S108 WeakPolarHBondContact OE2-CA 3.22Å; E23-S108 WeakPolarHBondContact OE2-CB 3.38Å; E23-S108 PolarHBondContact OE2-OG 3.07Å; E23-H111 IonicContact OE1-CD2 3.21Å; E23-H111 PolarHBondContact OE1-CD2 3.22Å; E23-H111 IonicContact OE1-CG 3.59Å
24S42.6Very low53.5Low20 Ų2086.5 Ų86.514%0.1447%0.473CS..THydrogen-bonded Turntrans-92-0.7-173.841.70000115.4W21 E26W21-S24 WeakPolarHBondContact CA-OG 3.49Å; W21-S24 PolarHBondContact O-N 2.88Å; W21-S24 VanDerWaalsContact O-N 3.16Å; W21-S24 PolarHBondContact O-OG 2.95Å; S24-E26 VanDerWaalsContact C-N 3.3Å; S24-E26 PolarHBondContact O-N 2.92Å
25H34.7Very low55.3Low179 Ų17986.9 Ų86.983%0.82948%0.475SS*.THydrogen-bonded Turntrans-78.3-8.9178.3-85.3-72.7000114.6G27H25-G27 PolarHBondContact O-N 3.28Å; H25-G27 VanDerWaalsContact O-N 3.09Å
26E36.1Very low57Low194 Ų19486.2 Ų86.291%0.90747%0.468SS*.THydrogen-bonded Turntrans-83.279.9168.7-73.2-171.7168.400111S24S24-E26 VanDerWaalsContact C-N 3.3Å; S24-E26 PolarHBondContact O-N 2.92Å
27G39.2Very low58.5Low56 Ų5689.7 Ų89.758%0.57748%0.481SS*.THydrogen-bonded Turntrans85.729.8147.500000119.8H25 C29H25-G27 PolarHBondContact O-N 3.28Å; H25-G27 VanDerWaalsContact O-N 3.09Å; G27-C29 VanDerWaalsContact C-N 3.28Å; G27-C29 PolarHBondContact O-N 3.22Å
28S44.7Very low60.5Low45 Ų4596.9 Ų96.932%0.31551%0.512SS..THydrogen-bonded Turntrans-73.216.5-166.986.50000119.6D214S28-D214 WeakPolarHBondContact CB-OD2 3.23Å; S28-D214 PolarHBondContact OG-OD2 3.36Å
29C47.6Very low62.8Low122 Ų12292.7 Ų92.782%0.82449%0.493SS*.THydrogen-bonded Turntrans-114.123.5176.4-71.80000114.5G27G27-C29 VanDerWaalsContact C-N 3.28Å; G27-C29 PolarHBondContact O-N 3.22Å
30K67.5Low64.8Low181 Ų18191.1 Ų91.179%0.78747%0.47SS*.SBendtrans-111128.3174.9-65.8-171179.7-1760110.4
31E79.2Confident66.8Low117 Ų11792.9 Ų92.955%0.54748%0.478SS..PPolyproline II helixtrans-54130.5170.1-162.9-175.7155.200109.3R96 F97E31-R96 IonicContact OE1-CZ 2.56Å; E31-R96 VanDerWaalsContact OE1-CZ 3.23Å; E31-R96 IonicContact OE1-NH1 3.1Å; E31-R96 PolarHBondContact OE1-NH1 3.26Å; E31-R96 IonicContact OE1-NH2 2.72Å; E31-R96 PolarHBondContact OE1-NH2 3.28Å; E31-F97 HydrophobicContact CG-CE2 4.39Å; E31-F97 HydrophobicContact CG-CZ 4.42Å
32P86.7Confident69.4Low12 Ų1295 Ų958%0.07849%0.488CS..PPolyproline II helixtrans-64.7142.5179.823.3-31000110.8R96 F97 F100P32-R96 HydrophobicContact CB-CB 4.15Å; P32-R96 HydrophobicContact CG-CB 3.71Å; P32-R96 PolarHBondContact O-NH1 2.98Å; P32-F97 VanDerWaalsContact CD-CE1 3.4Å; P32-F97 VanDerWaalsContact CD-CE2 3.47Å; P32-F97 HydrophobicContact CG-CD1 3.93Å; P32-F97 HydrophobicContact CG-CD2 3.78Å; P32-F97 HydrophobicContact CG-CE1 3.99Å; P32-F97 HydrophobicContact CG-CE2 3.87Å; P32-F97 HydrophobicContact CG-CG 3.81Å; P32-F97 HydrophobicContact CG-CZ 3.98Å; P32-F100 HydrophobicContact CB-CB 4.35Å; P32-F100 HydrophobicContact CB-CD2 3.36Å; P32-F100 HydrophobicContact CB-CE2 3.86Å; P32-F100 HydrophobicContact CB-CG 3.99Å; P32-F100 HydrophobicContact CG-CD2 4.49Å
33P87.6Confident72Confident76 Ų7686.3 Ų86.349%0.49445%0.448SS..PPolyproline II helixtrans-66.8164.9177.430.7-35.8000111.4F100P33-F100 HydrophobicContact CG-CE1 4.32Å; P33-F100 HydrophobicContact CG-CE2 3.89Å; P33-F100 HydrophobicContact CG-CZ 3.51Å; P33-F100 WeakPolarHBondContact O-CE2 3.31Å
34P87.6Confident74.6Confident81 Ų8184.3 Ų84.353%0.52644%0.437SS..PPolyproline II helixtrans-53.3145.1174.5-26.635.4000113.3G90P34-G90 WeakPolarHBondContact CA-O 3.33Å
35I88.4Confident77.2Confident21 Ų2190.3 Ų90.311%0.10846%0.457CS..PPolyproline II helixtrans-83.4123.7177.9-60.5-59.4000110.2V39 I40 G90 F95 R96 V99 F100I35-V39 HydrophobicContact CD1-CB 4.49Å; I35-V39 HydrophobicContact CD1-CG1 3.69Å; I35-V39 HydrophobicContact CG2-CB 4.4Å; I35-V39 HydrophobicContact CG2-CG1 4.45Å; I35-I40 HydrophobicContact CG2-CD1 3.58Å; I35-I40 HydrophobicContact CG2-CG1 3.55Å; I35-G90 PolarHBondContact N-O 3.22Å; I35-G90 VanDerWaalsContact N-O 3.13Å; I35-G90 WeakPolarHBondContact O-CA 3.25Å; I35-F95 HydrophobicContact CG1-CD1 4.13Å; I35-F95 HydrophobicContact CG1-CE1 4.31Å; I35-F95 HydrophobicContact CG2-CE1 4.23Å; I35-R96 HydrophobicContact CG1-CB 4.45Å; I35-R96 HydrophobicContact CG1-CG 4.01Å; I35-V99 HydrophobicContact CD1-CB 3.83Å; I35-V99 HydrophobicContact CD1-CG1 3.78Å; I35-V99 HydrophobicContact CD1-CG2 4.42Å; I35-V99 HydrophobicContact CG1-CB 4.43Å; I35-F100 HydrophobicContact CD1-CD2 3.86Å; I35-F100 HydrophobicContact CD1-CE2 3.46Å; I35-F100 VanDerWaalsContact CD1-CE2 3.46Å; I35-F100 HydrophobicContact CD1-CZ 4.29Å
36D87.3Confident80.3Confident80 Ų8082.7 Ų82.743%0.42842%0.422SS..  trans-109.1172.5168.775.613.6000111.8K38 V39 I40D36-K38 PolarHBondContact O-N 3.37Å; D36-K38 WeakPolarHBondContact OD1-CA 3.37Å; D36-K38 VanDerWaalsContact OD1-CB 3.31Å; D36-K38 WeakPolarHBondContact OD1-CB 3.5Å; D36-K38 PolarHBondContact OD1-N 2.75Å; D36-V39 PolarHBondContact O-N 3.48Å; D36-V39 WeakPolarHBondContact OD1-CG2 3.26Å; D36-V39 PolarHBondContact OD1-N 3.46Å; D36-I40 PolarHBondContact O-N 3.46Å
37K86.3Confident83.2Confident161 Ų16173.6 Ų73.670%0.738%0.379SS*.Hα-helixtrans-56.9-34178-172.2178.4178.6-177.30112.8I40 E41K37-I40 PolarHBondContact O-N 2.81Å; K37-E41 VanDerWaalsContact CE-OE1 3.23Å; K37-E41 WeakPolarHBondContact CE-OE1 3.41Å; K37-E41 WeakPolarHBondContact O-CG 3.25Å; K37-E41 PolarHBondContact O-N 3.37Å
38K90.7Very high86Confident155 Ų15574.9 Ų74.967%0.67437%0.373SS*.Hα-helixtrans-70.2-37.7-179-63.4176.2179.5171.20111.3D36 K42D36-K38 PolarHBondContact O-N 3.37Å; D36-K38 WeakPolarHBondContact OD1-CA 3.37Å; D36-K38 VanDerWaalsContact OD1-CB 3.31Å; D36-K38 WeakPolarHBondContact OD1-CB 3.5Å; D36-K38 PolarHBondContact OD1-N 2.75Å; K38-K42 VanDerWaalsContact O-CB 3.31Å; K38-K42 WeakPolarHBondContact O-CB 3.08Å; K38-K42 PolarHBondContact O-N 3.07Å
39V92.2Very high88.5Confident26 Ų2677.1 Ų77.116%0.15838%0.379CS..Hα-helixtrans-64-44.5175.1175.60000110.3I35 D36 K42 T43 V99 F100 M103I35-V39 HydrophobicContact CD1-CB 4.49Å; I35-V39 HydrophobicContact CD1-CG1 3.69Å; I35-V39 HydrophobicContact CG2-CB 4.4Å; I35-V39 HydrophobicContact CG2-CG1 4.45Å; D36-V39 PolarHBondContact O-N 3.48Å; D36-V39 WeakPolarHBondContact OD1-CG2 3.26Å; D36-V39 PolarHBondContact OD1-N 3.46Å; V39-K42 PolarHBondContact O-N 2.73Å; V39-T43 PolarHBondContact O-N 2.71Å; V39-T43 PolarHBondContact O-OG1 3.46Å; V39-V99 HydrophobicContact CG1-CG1 3.9Å; V39-F100 HydrophobicContact CG1-CZ 4.21Å; V39-F100 HydrophobicContact CG2-CZ 4.49Å; V39-M103 HydrophobicContact CG1-SD 3.94Å
40I90.7Very high90.9Very high22 Ų2271.3 Ų71.311%0.11334%0.339CS..Hα-helixtrans-60.8-49.8175.5-66.7-60.4000111.5I35 D36 K37 K42 T43 W44 F95 V99I35-I40 HydrophobicContact CG2-CD1 3.58Å; I35-I40 HydrophobicContact CG2-CG1 3.55Å; D36-I40 PolarHBondContact O-N 3.46Å; K37-I40 PolarHBondContact O-N 2.81Å; I40-K42 VanDerWaalsContact C-N 3.28Å; I40-K42 PolarHBondContact O-N 3.5Å; I40-T43 WeakPolarHBondContact O-CA 3.49Å; I40-T43 VanDerWaalsContact O-CB 3.31Å; I40-T43 WeakPolarHBondContact O-CB 3.38Å; I40-T43 PolarHBondContact O-N 2.75Å; I40-W44 HydrophobicContact CG2-CD2 4.45Å; I40-W44 VanDerWaalsContact CG2-CE2 3.46Å; I40-W44 HydrophobicContact CG2-CH2 4.49Å; I40-W44 HydrophobicContact CG2-CZ2 3.51Å; I40-W44 PolarHBondContact O-N 3.44Å; I40-F95 HydrophobicContact CD1-CE1 4.08Å; I40-F95 HydrophobicContact CD1-CZ 4.13Å; I40-V99 HydrophobicContact CD1-CG1 4.44Å; I40-V99 HydrophobicContact CD1-CG2 4.22Å
41E92Very high92.3Very high86 Ų8663.8 Ų63.840%0.40231%0.308SS..Hα-helixtrans-61-34.7177.1-74.4172.9-175.900113.2K37 R45K37-E41 VanDerWaalsContact CE-OE1 3.23Å; K37-E41 WeakPolarHBondContact CE-OE1 3.41Å; K37-E41 WeakPolarHBondContact O-CG 3.25Å; K37-E41 PolarHBondContact O-N 3.37Å; E41-R45 WeakPolarHBondContact O-CG 2.85Å; E41-R45 PolarHBondContact O-N 3.28Å; E41-R45 PolarHBondContact O-NE 2.94Å
42K95.8Very high93.2Very high98 Ų9866.8 Ų66.843%0.42632%0.315SS..Hα-helixtrans-68.9-36.8174.1-172.8175.5173.6177.80111.5K38 V39 I40 R45 L46 M103K38-K42 VanDerWaalsContact O-CB 3.31Å; K38-K42 WeakPolarHBondContact O-CB 3.08Å; K38-K42 PolarHBondContact O-N 3.07Å; V39-K42 PolarHBondContact O-N 2.73Å; I40-K42 VanDerWaalsContact C-N 3.28Å; I40-K42 PolarHBondContact O-N 3.5Å; K42-R45 PolarHBondContact O-N 3.44Å; K42-L46 WeakPolarHBondContact O-CG 3.25Å; K42-L46 PolarHBondContact O-N 2.93Å; K42-L46 VanDerWaalsContact O-N 3.13Å; K42-M103 HydrophobicContact CB-CE 4.24Å; K42-M103 HydrophobicContact CD-CE 3.56Å; K42-M103 HydrophobicContact CG-CE 3.75Å
43T95.5Very high93.6Very high1 Ų169 Ų691%0.00633%0.325CS..Hα-helixtrans-63.4-46.1175.4-54.80000110.7V39 I40 R45 L46 M47 V99 L102 M103V39-T43 PolarHBondContact O-N 2.71Å; V39-T43 PolarHBondContact O-OG1 3.46Å; I40-T43 WeakPolarHBondContact O-CA 3.49Å; I40-T43 VanDerWaalsContact O-CB 3.31Å; I40-T43 WeakPolarHBondContact O-CB 3.38Å; I40-T43 PolarHBondContact O-N 2.75Å; T43-R45 PolarHBondContact O-N 2.79Å; T43-L46 PolarHBondContact O-N 3.37Å; T43-M47 HydrophobicContact CG2-SD 4.16Å; T43-M47 WeakPolarHBondContact O-CG 3.32Å; T43-M47 PolarHBondContact O-N 2.69Å; T43-V99 HydrophobicContact CG2-CG1 4.45Å; T43-V99 WeakPolarHBondContact OG1-CG1 3.37Å; T43-L102 HydrophobicContact CG2-CD2 3.73Å; T43-L102 HydrophobicContact CG2-CG 4.09Å; T43-M103 HydrophobicContact CG2-CG 4.03Å; T43-M103 WeakPolarHBondContact OG1-CG 3.43Å; T43-M103 PolarHBondContact OG1-SD 3.42Å; T43-M103 VanDerWaalsContact OG1-SD 3.4Å
44W95.1Very high94Very high37 Ų3765.4 Ų65.414%0.1430%0.302CS..Hα-helixtrans-55.2-50.9173.5-58.1152.8000113.1I40 L46 M47 D48 Y76 L79I40-W44 HydrophobicContact CG2-CD2 4.45Å; I40-W44 VanDerWaalsContact CG2-CE2 3.46Å; I40-W44 HydrophobicContact CG2-CH2 4.49Å; I40-W44 HydrophobicContact CG2-CZ2 3.51Å; I40-W44 PolarHBondContact O-N 3.44Å; W44-L46 VanDerWaalsContact C-N 3.25Å; W44-L46 PolarHBondContact O-N 2.8Å; W44-M47 HydrophobicContact CE3-SD 3.56Å; W44-M47 VanDerWaalsContact CE3-SD 3.56Å; W44-M47 HydrophobicContact CZ3-CE 4.4Å; W44-M47 HydrophobicContact CZ3-SD 3.53Å; W44-M47 VanDerWaalsContact CZ3-SD 3.53Å; W44-M47 PolarHBondContact O-N 2.74Å; W44-M47 VanDerWaalsContact O-N 3.11Å; W44-D48 PolarHBondContact O-N 3.15Å; W44-Y76 HydrophobicContact CB-CE2 4.19Å; W44-Y76 AromaticContact CD2-CD2 3.71Å; W44-Y76 HydrophobicContact CD2-CD2 3.71Å; W44-Y76 AromaticContact CD2-CE2 3.49Å; W44-Y76 HydrophobicContact CD2-CE2 3.49Å; W44-Y76 VanDerWaalsContact CD2-CE2 3.49Å; W44-Y76 AromaticContact CE2-CE2 3.99Å; W44-Y76 AromaticContact CE3-CD2 3.35Å; W44-Y76 HydrophobicContact CE3-CD2 3.35Å; W44-Y76 AromaticContact CE3-CE2 3.68Å; W44-Y76 HydrophobicContact CE3-CE2 3.68Å; W44-Y76 HydrophobicContact CE3-CG 4.48Å; W44-Y76 HydrophobicContact CG-CD2 4.31Å; W44-Y76 AromaticContact CG-CE2 3.72Å; W44-Y76 HydrophobicContact CG-CE2 3.72Å; W44-Y76 AromaticContact CZ3-CD2 3.83Å; W44-Y76 HydrophobicContact CZ3-CD2 3.83Å; W44-Y76 HydrophobicContact CZ3-CE2 4.41Å; W44-L79 HydrophobicContact CH2-CB 3.31Å; W44-L79 HydrophobicContact CH2-CD1 3.43Å; W44-L79 VanDerWaalsContact CH2-CD1 3.43Å; W44-L79 HydrophobicContact CH2-CG 3.95Å; W44-L79 HydrophobicContact CZ2-CB 4.15Å; W44-L79 HydrophobicContact CZ3-CB 4.09Å; W44-L79 HydrophobicContact CZ3-CD1 3.44Å; W44-L79 VanDerWaalsContact CZ3-CD1 3.44Å; W44-L79 HydrophobicContact CZ3-CG 4.39Å
45R97.4Very high94.4Very high147 Ų14767.3 Ų67.356%0.55530%0.304SS*.Hα-helixtrans-58.8-37.8179.1-73.6-178.7-73.7168.5-7.1112.7E41 K42 T43 Q49E41-R45 WeakPolarHBondContact O-CG 2.85Å; E41-R45 PolarHBondContact O-N 3.28Å; E41-R45 PolarHBondContact O-NE 2.94Å; K42-R45 PolarHBondContact O-N 3.44Å; T43-R45 PolarHBondContact O-N 2.79Å; R45-Q49 WeakPolarHBondContact O-CG 3.15Å; R45-Q49 PolarHBondContact O-N 2.92Å; R45-Q49 VanDerWaalsContact O-N 3.14Å
46L98Very high94.6Very high18 Ų1870 Ų709%0.09432%0.316CS..Hα-helixtrans-68.7-42.7176.6-75.4170.7000111.8K42 T43 W44 Q49 V50 M103 C106 K107 L110K42-L46 WeakPolarHBondContact O-CG 3.25Å; K42-L46 PolarHBondContact O-N 2.93Å; K42-L46 VanDerWaalsContact O-N 3.13Å; T43-L46 PolarHBondContact O-N 3.37Å; W44-L46 VanDerWaalsContact C-N 3.25Å; W44-L46 PolarHBondContact O-N 2.8Å; L46-Q49 PolarHBondContact O-N 2.84Å; L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 2.87Å; L46-V50 VanDerWaalsContact O-N 3.09Å; L46-M103 HydrophobicContact CD1-CB 4Å; L46-M103 HydrophobicContact CD1-CE 4.11Å; L46-M103 HydrophobicContact CD1-CG 4.15Å; L46-C106 HydrophobicContact CB-CB 3.78Å; L46-K107 HydrophobicContact CD1-CG 4.29Å; L46-K107 HydrophobicContact CD2-CG 4.08Å; L46-L110 HydrophobicContact CD2-CD1 4.07Å
47M98Very high94.7Very high3 Ų371.9 Ų71.92%0.01533%0.33CS..Hα-helixtrans-62.1-45.9176.3-68.1172.870.400111.4T43 W44 Q49 V50 V51 L72 T75 L102T43-M47 HydrophobicContact CG2-SD 4.16Å; T43-M47 WeakPolarHBondContact O-CG 3.32Å; T43-M47 PolarHBondContact O-N 2.69Å; W44-M47 HydrophobicContact CE3-SD 3.56Å; W44-M47 VanDerWaalsContact CE3-SD 3.56Å; W44-M47 HydrophobicContact CZ3-CE 4.4Å; W44-M47 HydrophobicContact CZ3-SD 3.53Å; W44-M47 VanDerWaalsContact CZ3-SD 3.53Å; W44-M47 PolarHBondContact O-N 2.74Å; W44-M47 VanDerWaalsContact O-N 3.11Å; M47-Q49 VanDerWaalsContact C-N 3.29Å; M47-Q49 PolarHBondContact O-N 3.08Å; M47-V50 PolarHBondContact O-N 3.17Å; M47-V50 VanDerWaalsContact O-N 3.1Å; M47-V51 WeakPolarHBondContact O-CG2 3.43Å; M47-V51 PolarHBondContact O-N 3.21Å; M47-L72 HydrophobicContact CE-CB 4.44Å; M47-L72 HydrophobicContact CE-CD2 4.17Å; M47-L72 WeakPolarHBondContact CE-O 3.48Å; M47-T75 HydrophobicContact CE-CG2 3.99Å; M47-L102 HydrophobicContact CE-CD2 4.5Å; M47-L102 HydrophobicContact SD-CD2 3.77Å; M47-L102 HydrophobicContact SD-CG 4.44Å
48D97.5Very high95Very high83 Ų8369.8 Ų69.844%0.44432%0.321SS..Hα-helixtrans-59.9-39.6177.7-69.9-24.6000112.2W44 R52W44-D48 PolarHBondContact O-N 3.15Å; D48-R52 VanDerWaalsContact O-CB 3.25Å; D48-R52 WeakPolarHBondContact O-CB 3.4Å; D48-R52 PolarHBondContact O-N 3.14Å
49Q97.9Very high95.1Very high93 Ų9362.9 Ų62.944%0.43529%0.292SS..Hα-helixtrans-63.1-42.8175.2-76.2174.2-4.600111.7R45 L46 M47 I53 L110R45-Q49 WeakPolarHBondContact O-CG 3.15Å; R45-Q49 PolarHBondContact O-N 2.92Å; R45-Q49 VanDerWaalsContact O-N 3.14Å; L46-Q49 PolarHBondContact O-N 2.84Å; M47-Q49 VanDerWaalsContact C-N 3.29Å; M47-Q49 PolarHBondContact O-N 3.08Å; Q49-I53 WeakPolarHBondContact O-CG2 3.43Å; Q49-I53 PolarHBondContact O-N 2.95Å; Q49-I53 VanDerWaalsContact O-N 3.07Å; Q49-L110 HydrophobicContact CB-CD1 4.14Å; Q49-L110 HydrophobicContact CB-CD2 4.03Å
50V98Very high95Very high0 Ų067.4 Ų67.40%032%0.315CS..Hα-helixtrans-66.2-45.2177.9174.60000111.3L46 M47 R52 I53 C54 I68 L72 C106 T109 L110L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 2.87Å; L46-V50 VanDerWaalsContact O-N 3.09Å; M47-V50 PolarHBondContact O-N 3.17Å; M47-V50 VanDerWaalsContact O-N 3.1Å; V50-R52 PolarHBondContact O-N 3.08Å; V50-I53 VanDerWaalsContact O-CG2 3.28Å; V50-I53 WeakPolarHBondContact O-CG2 3.4Å; V50-I53 PolarHBondContact O-N 3.44Å; V50-C54 WeakPolarHBondContact O-CB 3.36Å; V50-C54 PolarHBondContact O-N 3.02Å; V50-C54 PolarHBondContact O-SG 3.29Å; V50-I68 HydrophobicContact CG1-CD1 3.85Å; V50-L72 HydrophobicContact CB-CD1 3.85Å; V50-L72 HydrophobicContact CG1-CD1 3.46Å; V50-L72 VanDerWaalsContact CG1-CD1 3.46Å; V50-C106 HydrophobicContact CG2-CB 3.92Å; V50-T109 HydrophobicContact CB-CG2 4.47Å; V50-T109 HydrophobicContact CG1-CG2 3.56Å; V50-T109 HydrophobicContact CG2-CG2 4.12Å; V50-L110 HydrophobicContact CG2-CD2 4.04Å; V50-L110 HydrophobicContact CG2-CG 3.96Å
51V97.4Very high94.9Very high22 Ų2268.4 Ų68.413%0.13332%0.32CS..Hα-helixtrans-59-50176.3171.90000110M47 I53 C54 Q55 L69 L72M47-V51 WeakPolarHBondContact O-CG2 3.43Å; M47-V51 PolarHBondContact O-N 3.21Å; V51-I53 PolarHBondContact O-N 3.03Å; V51-C54 PolarHBondContact O-N 3.41Å; V51-C54 VanDerWaalsContact O-N 3.14Å; V51-Q55 HydrophobicContact CG1-CG 4.32Å; V51-Q55 WeakPolarHBondContact O-CG 3.3Å; V51-Q55 PolarHBondContact O-N 2.97Å; V51-L69 HydrophobicContact CG1-CD2 4.16Å; V51-L72 HydrophobicContact CG2-CB 3.69Å; V51-L72 HydrophobicContact CG2-CD1 3.81Å; V51-L72 HydrophobicContact CG2-CG 4.43Å
52R96.9Very high94.6Very high181 Ų18168.6 Ų68.668%0.68332%0.32SS*.Hα-helixtrans-57.8-44.7-179.1-172.4-174.5-53.6-174.51.8112.9D48 V50 Q55D48-R52 VanDerWaalsContact O-CB 3.25Å; D48-R52 WeakPolarHBondContact O-CB 3.4Å; D48-R52 PolarHBondContact O-N 3.14Å; V50-R52 PolarHBondContact O-N 3.08Å; R52-Q55 PolarHBondContact O-N 3.35Å
53I96.2Very high94.2Very high57 Ų5770 Ų7029%0.29233%0.332SS..Hα-helixtrans-71.8-32.5179.8-161.3164.7000111.8Q49 V50 V51 Q55 H56 L59 L110 F113Q49-I53 WeakPolarHBondContact O-CG2 3.43Å; Q49-I53 PolarHBondContact O-N 2.95Å; Q49-I53 VanDerWaalsContact O-N 3.07Å; V50-I53 VanDerWaalsContact O-CG2 3.28Å; V50-I53 WeakPolarHBondContact O-CG2 3.4Å; V50-I53 PolarHBondContact O-N 3.44Å; V51-I53 PolarHBondContact O-N 3.03Å; I53-Q55 VanDerWaalsContact C-N 3.33Å; I53-H56 WeakPolarHBondContact O-CB 3.46Å; I53-H56 PolarHBondContact O-N 3.5Å; I53-L59 VanDerWaalsContact O-CD1 3.3Å; I53-L59 WeakPolarHBondContact O-CD1 3.46Å; I53-L110 HydrophobicContact CG2-CD2 4.19Å; I53-F113 HydrophobicContact CD1-CB 3.48Å; I53-F113 VanDerWaalsContact CD1-CB 3.48Å; I53-F113 HydrophobicContact CD1-CD1 3.63Å; I53-F113 HydrophobicContact CD1-CD2 4Å; I53-F113 HydrophobicContact CD1-CE1 4.31Å; I53-F113 HydrophobicContact CD1-CG 3.44Å; I53-F113 VanDerWaalsContact CD1-CG 3.44Å; I53-F113 HydrophobicContact CG1-CB 4.43Å; I53-F113 HydrophobicContact CG1-CD1 3.67Å; I53-F113 HydrophobicContact CG1-CD2 4.24Å; I53-F113 HydrophobicContact CG1-CE1 3.85Å; I53-F113 HydrophobicContact CG1-CE2 4.42Å; I53-F113 HydrophobicContact CG1-CG 3.88Å; I53-F113 HydrophobicContact CG1-CZ 4.23Å; I53-F113 HydrophobicContact CG2-CD2 3.79Å; I53-F113 HydrophobicContact CG2-CE1 4.46Å; I53-F113 HydrophobicContact CG2-CE2 3.64Å; I53-F113 HydrophobicContact CG2-CG 4.3Å; I53-F113 HydrophobicContact CG2-CZ 3.99Å
54C96.4Very high93.6Very high2 Ų270.9 Ų70.91%0.01434%0.338CS..Hα-helixtrans-74.1-20.8176.3-66.90000113.5V50 V51 H56 L59 L61 I68 L69V50-C54 WeakPolarHBondContact O-CB 3.36Å; V50-C54 PolarHBondContact O-N 3.02Å; V50-C54 PolarHBondContact O-SG 3.29Å; V51-C54 PolarHBondContact O-N 3.41Å; V51-C54 VanDerWaalsContact O-N 3.14Å; C54-H56 PolarHBondContact O-N 3.5Å; C54-L59 WeakPolarHBondContact O-CD1 3.45Å; C54-L61 HydrophobicContact CB-CD1 4.09Å; C54-L61 VanDerWaalsContact O-CD1 3.29Å; C54-L61 WeakPolarHBondContact O-CD1 3.13Å; C54-I68 HydrophobicContact CB-CG2 3.98Å; C54-L69 HydrophobicContact CB-CD2 3.65Å; C54-L69 HydrophobicContact CB-CG 4.33Å
55Q95.2Very high93.3Very high120 Ų12072.2 Ų72.256%0.56135%0.352SS*.THydrogen-bonded Turntrans-74.1-6.1174.4-76.5173.3-20.800113.7V51 R52 I53 T57 L69V51-Q55 HydrophobicContact CG1-CG 4.32Å; V51-Q55 WeakPolarHBondContact O-CG 3.3Å; V51-Q55 PolarHBondContact O-N 2.97Å; R52-Q55 PolarHBondContact O-N 3.35Å; I53-Q55 VanDerWaalsContact C-N 3.33Å; Q55-T57 PolarHBondContact O-N 3.19Å; Q55-T57 VanDerWaalsContact O-N 3.15Å; Q55-L69 HydrophobicContact CG-CD1 4.21Å; Q55-L69 HydrophobicContact CG-CD2 3.72Å
56H92.2Very high92.9Very high77 Ų7766.2 Ų66.236%0.35633%0.332SS..  trans-62118.1-179.2-168.8-72.4000111.2I53 C54 K58 L59 Y121I53-H56 WeakPolarHBondContact O-CB 3.46Å; I53-H56 PolarHBondContact O-N 3.5Å; C54-H56 PolarHBondContact O-N 3.5Å; H56-K58 VanDerWaalsContact C-N 3.28Å; H56-K58 PolarHBondContact ND1-N 2.8Å; H56-K58 PolarHBondContact O-N 3.14Å; H56-K58 VanDerWaalsContact O-N 3.12Å; H56-L59 HydrophobicContact CB-CD1 4.13Å; H56-L59 HydrophobicContact CB-CG 4.3Å; H56-L59 VanDerWaalsContact O-CB 3.3Å; H56-L59 WeakPolarHBondContact O-CB 3.18Å; H56-L59 WeakPolarHBondContact O-CG 3.33Å; H56-L59 PolarHBondContact O-N 3.44Å; H56-Y121 AromaticContact CE1-CE1 3.89Å; H56-Y121 AromaticContact CE1-CZ 3.95Å; H56-Y121 AromaticContact ND1-CE1 3.58Å
57T89.8Confident92.7Very high120 Ų12066.8 Ų66.874%0.73633%0.334SS*.G310 helixtrans-55.1-37.2-170.152.20000114.1Q55 L59 N60Q55-T57 PolarHBondContact O-N 3.19Å; Q55-T57 VanDerWaalsContact O-N 3.15Å; T57-L59 PolarHBondContact O-N 3.13Å; T57-L59 VanDerWaalsContact O-N 3.07Å; T57-N60 PolarHBondContact O-N 3.07Å; T57-N60 VanDerWaalsContact O-N 3.11Å; T57-N60 PolarHBondContact O-OD1 3.25Å
58K92.4Very high92.5Very high118 Ų11866.8 Ų66.851%0.51333%0.334SS..G310 helixtrans-60.6-16.6176.4-64.8-173.7-173.9178.50114.7H56 N60 Y121H56-K58 VanDerWaalsContact C-N 3.28Å; H56-K58 PolarHBondContact ND1-N 2.8Å; H56-K58 PolarHBondContact O-N 3.14Å; H56-K58 VanDerWaalsContact O-N 3.12Å; K58-N60 PolarHBondContact O-N 2.89Å; K58-N60 PolarHBondContact O-ND2 3.04Å; K58-Y121 HydrophobicContact CB-CD1 3.36Å; K58-Y121 HydrophobicContact CB-CE1 3.6Å; K58-Y121 HydrophobicContact CB-CG 3.87Å; K58-Y121 HydrophobicContact CD-CD1 4.49Å; K58-Y121 HydrophobicContact CD-CD2 4.3Å; K58-Y121 HydrophobicContact CD-CE1 4.41Å; K58-Y121 HydrophobicContact CD-CE2 4.21Å; K58-Y121 HydrophobicContact CD-CG 4.44Å
59L92.2Very high92.4Very high9 Ų964.5 Ų64.55%0.04732%0.321CS..G310 helixtrans-70.4-20.6176.5-68.6171.8000112.9I53 C54 H56 T57 L61 F113 M120 Y121I53-L59 VanDerWaalsContact O-CD1 3.3Å; I53-L59 WeakPolarHBondContact O-CD1 3.46Å; C54-L59 WeakPolarHBondContact O-CD1 3.45Å; H56-L59 HydrophobicContact CB-CD1 4.13Å; H56-L59 HydrophobicContact CB-CG 4.3Å; H56-L59 VanDerWaalsContact O-CB 3.3Å; H56-L59 WeakPolarHBondContact O-CB 3.18Å; H56-L59 WeakPolarHBondContact O-CG 3.33Å; H56-L59 PolarHBondContact O-N 3.44Å; T57-L59 PolarHBondContact O-N 3.13Å; T57-L59 VanDerWaalsContact O-N 3.07Å; L59-L61 HydrophobicContact CB-CD2 4.08Å; L59-L61 HydrophobicContact CB-CG 3.91Å; L59-L61 PolarHBondContact O-N 3.38Å; L59-L61 VanDerWaalsContact O-N 3.13Å; L59-F113 HydrophobicContact CD1-CE1 3.8Å; L59-F113 HydrophobicContact CD1-CZ 3.86Å; L59-F113 HydrophobicContact CD2-CE1 3.86Å; L59-F113 HydrophobicContact CD2-CZ 4.4Å; L59-F113 HydrophobicContact CG-CE1 4.43Å; L59-M120 HydrophobicContact CD2-CB 3.83Å; L59-M120 WeakPolarHBondContact CD2-O 3.39Å; L59-Y121 HydrophobicContact CD2-CD1 3.95Å; L59-Y121 HydrophobicContact CD2-CE1 4.13Å; L59-Y121 HydrophobicContact CG-CD1 4.33Å; L59-Y121 HydrophobicContact CG-CE1 4.31Å
60N90.3Very high92.3Very high121 Ų12164 Ų6465%0.64732%0.322SS*.  trans48.441.5179-62.1-42.2000112.9T57 K58 K62T57-N60 PolarHBondContact O-N 3.07Å; T57-N60 VanDerWaalsContact O-N 3.11Å; T57-N60 PolarHBondContact O-OD1 3.25Å; K58-N60 PolarHBondContact O-N 2.89Å; K58-N60 PolarHBondContact O-ND2 3.04Å; N60-K62 PolarHBondContact O-N 3.34Å
61L89.4Confident92.3Very high43 Ų4364.7 Ų64.723%0.22533%0.325CS..  trans-64.6120.5179.9-59.4-174.9000109.6C54 L59 F67 I68 L69 R128C54-L61 HydrophobicContact CB-CD1 4.09Å; C54-L61 VanDerWaalsContact O-CD1 3.29Å; C54-L61 WeakPolarHBondContact O-CD1 3.13Å; L59-L61 HydrophobicContact CB-CD2 4.08Å; L59-L61 HydrophobicContact CB-CG 3.91Å; L59-L61 PolarHBondContact O-N 3.38Å; L59-L61 VanDerWaalsContact O-N 3.13Å; L61-F67 HydrophobicContact CB-CE2 3.88Å; L61-I68 HydrophobicContact CD1-CG2 4.18Å; L61-L69 HydrophobicContact CD1-CD1 4.26Å; L61-L69 HydrophobicContact CD1-CG 4.4Å; L61-R128 VanDerWaalsContact CD2-NH2 3.32Å
62K85.6Confident92.3Very high91 Ų9163.7 Ų63.740%0.39632%0.319SS..  trans-76.2138.9177.1-66.2171.9-175.1153.30109.2N60 S64 F67 E123N60-K62 PolarHBondContact O-N 3.34Å; K62-S64 PolarHBondContact O-N 2.94Å; K62-F67 WeakPolarHBondContact O-CD2 3.31Å; K62-E123 IonicContact NZ-OE1 3Å; K62-E123 PolarHBondContact NZ-OE1 2.91Å; K62-E123 IonicContact NZ-OE2 2.6Å; K62-E123 PolarHBondContact NZ-OE2 2.67Å
63N86.2Confident92.3Very high126 Ų12657.8 Ų57.867%0.67430%0.304SS*.SBendtrans-75.469.4173.2-169.84.1000110.1F67N63-F67 HydrophobicContact CB-CE1 4.4Å; N63-F67 HydrophobicContact CB-CZ 4.48Å; N63-F67 WeakPolarHBondContact OD1-CD1 3.21Å
64S84.4Confident92.4Very high21 Ų2158.2 Ų58.215%0.14731%0.307CS..  trans-137.1135.5178.965.10000108.7K62 P66K62-S64 PolarHBondContact O-N 2.94Å; S64-P66 CarbonylContact O-C 3.46Å
65P87.2Confident92.5Very high65 Ų6558.2 Ų58.242%0.42231%0.307SS..SBendtrans-58.7139.7178.7-2735.5000113.2C277 T278P65-C277 HydrophobicContact CB-CB 4.38Å; P65-T278 HydrophobicContact CB-CG2 3.72Å; P65-T278 HydrophobicContact CG-CG2 3.64Å
66P89.6Confident92.5Very high20 Ų2056.1 Ų56.113%0.1329%0.294CS..SBendcis-79.8123.9-4.832.4-32.8000111.9S64 I71 L136S64-P66 CarbonylContact O-C 3.46Å; P66-I71 HydrophobicContact CB-CD1 3.92Å; P66-L136 HydrophobicContact CB-CD1 4.29Å; P66-L136 HydrophobicContact CG-CB 3.95Å; P66-L136 HydrophobicContact CG-CD1 4Å
67F93.2Very high92.7Very high31 Ų3159 Ų5914%0.13631%0.308CS..  trans-109101.5-177.8-172.7-128.3000111.1L61 K62 N63 L69 D70 I71L61-F67 HydrophobicContact CB-CE2 3.88Å; K62-F67 WeakPolarHBondContact O-CD2 3.31Å; N63-F67 HydrophobicContact CB-CE1 4.4Å; N63-F67 HydrophobicContact CB-CZ 4.48Å; N63-F67 WeakPolarHBondContact OD1-CD1 3.21Å; F67-L69 HydrophobicContact CD1-CB 4.3Å; F67-L69 HydrophobicContact CE1-CB 3.76Å; F67-L69 HydrophobicContact CE2-CB 4.25Å; F67-L69 HydrophobicContact CE2-CD1 4.2Å; F67-L69 HydrophobicContact CE2-CG 4.41Å; F67-L69 HydrophobicContact CZ-CB 3.73Å; F67-L69 HydrophobicContact CZ-CD1 3.84Å; F67-L69 HydrophobicContact CZ-CG 4.18Å; F67-L69 PolarHBondContact O-N 2.84Å; F67-L69 VanDerWaalsContact O-N 3.1Å; F67-D70 HydrophobicContact CD1-CB 4.09Å; F67-D70 VanDerWaalsContact CD1-CG 3.47Å; F67-D70 PolarHBondContact O-N 2.94Å; F67-I71 WeakPolarHBondContact O-CD1 3.25Å; F67-I71 VanDerWaalsContact O-CG1 3.3Å; F67-I71 WeakPolarHBondContact O-CG1 3.49Å; F67-I71 PolarHBondContact O-N 2.77Å; F67-I71 VanDerWaalsContact O-N 3.1Å
68I95Very high93Very high3 Ų354.3 Ų54.32%0.01528%0.277CS..Hα-helixtrans-57.6-29.5-171.4-165168.4000114V50 C54 L61 D70 I71 L72 L131 F138V50-I68 HydrophobicContact CG1-CD1 3.85Å; C54-I68 HydrophobicContact CB-CG2 3.98Å; L61-I68 HydrophobicContact CD1-CG2 4.18Å; I68-D70 VanDerWaalsContact C-N 3.29Å; I68-D70 PolarHBondContact O-N 2.85Å; I68-I71 PolarHBondContact O-N 3.37Å; I68-L72 HydrophobicContact CD1-CD1 4.26Å; I68-L72 HydrophobicContact CG1-CD1 3.9Å; I68-L72 HydrophobicContact CG1-CG 4.06Å; I68-L72 PolarHBondContact O-N 3.17Å; I68-L72 VanDerWaalsContact O-N 3.12Å; I68-L131 HydrophobicContact CD1-CD1 4.05Å; I68-F138 HydrophobicContact CD1-CD2 3.8Å; I68-F138 HydrophobicContact CD1-CE2 3.83Å; I68-F138 HydrophobicContact CG1-CD2 4.22Å
69L95.9Very high93.1Very high34 Ų3448.7 Ų48.718%0.17825%0.253CS..Hα-helixtrans-73.7-18.1-178.9-66.5-179.3000113.5V51 C54 Q55 L61 F67 P73V51-L69 HydrophobicContact CG1-CD2 4.16Å; C54-L69 HydrophobicContact CB-CD2 3.65Å; C54-L69 HydrophobicContact CB-CG 4.33Å; Q55-L69 HydrophobicContact CG-CD1 4.21Å; Q55-L69 HydrophobicContact CG-CD2 3.72Å; L61-L69 HydrophobicContact CD1-CD1 4.26Å; L61-L69 HydrophobicContact CD1-CG 4.4Å; F67-L69 HydrophobicContact CD1-CB 4.3Å; F67-L69 HydrophobicContact CE1-CB 3.76Å; F67-L69 HydrophobicContact CE2-CB 4.25Å; F67-L69 HydrophobicContact CE2-CD1 4.2Å; F67-L69 HydrophobicContact CE2-CG 4.41Å; F67-L69 HydrophobicContact CZ-CB 3.73Å; F67-L69 HydrophobicContact CZ-CD1 3.84Å; F67-L69 HydrophobicContact CZ-CG 4.18Å; F67-L69 PolarHBondContact O-N 2.84Å; F67-L69 VanDerWaalsContact O-N 3.1Å; L69-P73 WeakPolarHBondContact O-CD 3.45Å; L69-P73 WeakPolarHBondContact O-CG 3.26Å
70D95.6Very high93.2Very high84 Ų8455.4 Ų55.445%0.44928%0.278SS..Hα-helixtrans-94.9-41.4169-69.6-1.2000110.4F67 I68 L72 P73 D74F67-D70 HydrophobicContact CD1-CB 4.09Å; F67-D70 VanDerWaalsContact CD1-CG 3.47Å; F67-D70 PolarHBondContact O-N 2.94Å; I68-D70 VanDerWaalsContact C-N 3.29Å; I68-D70 PolarHBondContact O-N 2.85Å; D70-L72 PolarHBondContact O-N 3.42Å; D70-P73 WeakPolarHBondContact O-CD 3.47Å; D70-D74 WeakPolarHBondContact O-CB 3.31Å; D70-D74 PolarHBondContact O-N 2.73Å
71I97.3Very high93.4Very high13 Ų1352.9 Ų52.97%0.06726%0.264CS..Hα-helixtrans-59.5-46.7-175.4-66.3161.7000112.2P66 F67 I68 D74 T75 F138 L142P66-I71 HydrophobicContact CB-CD1 3.92Å; F67-I71 WeakPolarHBondContact O-CD1 3.25Å; F67-I71 VanDerWaalsContact O-CG1 3.3Å; F67-I71 WeakPolarHBondContact O-CG1 3.49Å; F67-I71 PolarHBondContact O-N 2.77Å; F67-I71 VanDerWaalsContact O-N 3.1Å; I68-I71 PolarHBondContact O-N 3.37Å; I71-D74 PolarHBondContact O-N 3.46Å; I71-T75 WeakPolarHBondContact O-CB 2.99Å; I71-T75 PolarHBondContact O-N 3.1Å; I71-T75 PolarHBondContact O-OG1 2.86Å; I71-F138 HydrophobicContact CG2-CB 3.77Å; I71-L142 HydrophobicContact CG2-CB 4.25Å; I71-L142 HydrophobicContact CG2-CD2 4.04Å
72L97.7Very high93.5Very high1 Ų150.8 Ų50.81%0.00525%0.253CS..Hα-helixtrans-70.2-45-176.1-72.6179.7000112.9M47 V50 V51 I68 D70 D74 T75 Y76 F138M47-L72 HydrophobicContact CE-CB 4.44Å; M47-L72 HydrophobicContact CE-CD2 4.17Å; M47-L72 WeakPolarHBondContact CE-O 3.48Å; V50-L72 HydrophobicContact CB-CD1 3.85Å; V50-L72 HydrophobicContact CG1-CD1 3.46Å; V50-L72 VanDerWaalsContact CG1-CD1 3.46Å; V51-L72 HydrophobicContact CG2-CB 3.69Å; V51-L72 HydrophobicContact CG2-CD1 3.81Å; V51-L72 HydrophobicContact CG2-CG 4.43Å; I68-L72 HydrophobicContact CD1-CD1 4.26Å; I68-L72 HydrophobicContact CG1-CD1 3.9Å; I68-L72 HydrophobicContact CG1-CG 4.06Å; I68-L72 PolarHBondContact O-N 3.17Å; I68-L72 VanDerWaalsContact O-N 3.12Å; D70-L72 PolarHBondContact O-N 3.42Å; L72-D74 VanDerWaalsContact C-N 3.34Å; L72-D74 PolarHBondContact O-N 3.47Å; L72-T75 WeakPolarHBondContact O-CB 3.48Å; L72-T75 PolarHBondContact O-N 2.78Å; L72-Y76 WeakPolarHBondContact O-CB 3.22Å; L72-Y76 PolarHBondContact O-N 3.11Å; L72-F138 HydrophobicContact CD2-CD1 3.8Å; L72-F138 HydrophobicContact CD2-CE1 3.96Å; L72-F138 HydrophobicContact CD2-CG 4.15Å; L72-F138 HydrophobicContact CD2-CZ 4.42Å
73P97Very high93.7Very high57 Ų5749 Ų4937%0.3725%0.252SS..Hα-helixtrans-57.3-42.4170-29.838.8000113.7L69 D70 T75 Y76 Q77L69-P73 WeakPolarHBondContact O-CD 3.45Å; L69-P73 WeakPolarHBondContact O-CG 3.26Å; D70-P73 WeakPolarHBondContact O-CD 3.47Å; P73-T75 VanDerWaalsContact C-N 3.34Å; P73-T75 PolarHBondContact O-N 3.39Å; P73-Y76 WeakPolarHBondContact O-CB 3.47Å; P73-Y76 PolarHBondContact O-N 2.96Å; P73-Q77 PolarHBondContact O-N 3.29Å
74D97.7Very high93.8Very high66 Ų6647.1 Ų47.135%0.35325%0.253SS..Hα-helixtrans-60.2-44.7174.5-95.830.5000112D70 I71 L72 Y76 Q77 H78 L142 K146D70-D74 WeakPolarHBondContact O-CB 3.31Å; D70-D74 PolarHBondContact O-N 2.73Å; I71-D74 PolarHBondContact O-N 3.46Å; L72-D74 VanDerWaalsContact C-N 3.34Å; L72-D74 PolarHBondContact O-N 3.47Å; D74-Y76 VanDerWaalsContact C-N 3.31Å; D74-Y76 PolarHBondContact O-N 3.05Å; D74-Q77 PolarHBondContact O-N 2.65Å; D74-H78 WeakPolarHBondContact O-CB 3.43Å; D74-H78 PolarHBondContact O-N 2.95Å; D74-L142 HydrophobicContact CB-CD1 4.44Å; D74-L142 HydrophobicContact CB-CD2 3.6Å; D74-K146 IonicContact OD2-NZ 3.05Å; D74-K146 PolarHBondContact OD2-NZ 3.34Å
75T98Very high93.7Very high2 Ų250.1 Ų50.11%0.01227%0.265CS..Hα-helixtrans-60.3-44.2176.3-55.40000110.4M47 I71 L72 P73 H78 L79 F98 L102 L145M47-T75 HydrophobicContact CE-CG2 3.99Å; I71-T75 WeakPolarHBondContact O-CB 2.99Å; I71-T75 PolarHBondContact O-N 3.1Å; I71-T75 PolarHBondContact O-OG1 2.86Å; L72-T75 WeakPolarHBondContact O-CB 3.48Å; L72-T75 PolarHBondContact O-N 2.78Å; P73-T75 VanDerWaalsContact C-N 3.34Å; P73-T75 PolarHBondContact O-N 3.39Å; T75-H78 PolarHBondContact O-N 3.47Å; T75-L79 HydrophobicContact CG2-CD1 3.78Å; T75-L79 HydrophobicContact CG2-CG 4.4Å; T75-L79 WeakPolarHBondContact O-CB 3.5Å; T75-L79 WeakPolarHBondContact O-CD1 3.33Å; T75-L79 VanDerWaalsContact O-CG 3.23Å; T75-L79 WeakPolarHBondContact O-CG 3.35Å; T75-L79 PolarHBondContact O-N 2.9Å; T75-F98 HydrophobicContact CG2-CZ 4.16Å; T75-L102 HydrophobicContact CG2-CD2 4.16Å; T75-L145 HydrophobicContact CG2-CD2 4.5Å
76Y96.1Very high92.8Very high77 Ų7750.4 Ų50.430%0.30226%0.26SS..Hα-helixtrans-61.2-48.1177.5177.7-91.2000111.7W44 L72 P73 D74 H78 L79 R80W44-Y76 HydrophobicContact CB-CE2 4.19Å; W44-Y76 AromaticContact CD2-CD2 3.71Å; W44-Y76 HydrophobicContact CD2-CD2 3.71Å; W44-Y76 AromaticContact CD2-CE2 3.49Å; W44-Y76 HydrophobicContact CD2-CE2 3.49Å; W44-Y76 VanDerWaalsContact CD2-CE2 3.49Å; W44-Y76 AromaticContact CE2-CE2 3.99Å; W44-Y76 AromaticContact CE3-CD2 3.35Å; W44-Y76 HydrophobicContact CE3-CD2 3.35Å; W44-Y76 AromaticContact CE3-CE2 3.68Å; W44-Y76 HydrophobicContact CE3-CE2 3.68Å; W44-Y76 HydrophobicContact CE3-CG 4.48Å; W44-Y76 HydrophobicContact CG-CD2 4.31Å; W44-Y76 AromaticContact CG-CE2 3.72Å; W44-Y76 HydrophobicContact CG-CE2 3.72Å; W44-Y76 AromaticContact CZ3-CD2 3.83Å; W44-Y76 HydrophobicContact CZ3-CD2 3.83Å; W44-Y76 HydrophobicContact CZ3-CE2 4.41Å; L72-Y76 WeakPolarHBondContact O-CB 3.22Å; L72-Y76 PolarHBondContact O-N 3.11Å; P73-Y76 WeakPolarHBondContact O-CB 3.47Å; P73-Y76 PolarHBondContact O-N 2.96Å; D74-Y76 VanDerWaalsContact C-N 3.31Å; D74-Y76 PolarHBondContact O-N 3.05Å; Y76-H78 VanDerWaalsContact C-N 3.33Å; Y76-H78 PolarHBondContact O-N 2.88Å; Y76-L79 PolarHBondContact O-N 2.84Å; Y76-R80 HydrophobicContact CD1-CG 4.42Å; Y76-R80 HydrophobicContact CE1-CG 4.05Å; Y76-R80 WeakPolarHBondContact O-CG 3.36Å; Y76-R80 PolarHBondContact O-N 2.88Å
77Q96.1Very high91.4Very high137 Ų13755.8 Ų55.864%0.6430%0.297SS*.Hα-helixtrans-61.6-42.9178.6-177.6175.4-4.900111.5P73 D74 R80 L81P73-Q77 PolarHBondContact O-N 3.29Å; D74-Q77 PolarHBondContact O-N 2.65Å; Q77-R80 PolarHBondContact O-N 2.98Å; Q77-L81 PolarHBondContact O-N 3.44Å; Q77-L81 VanDerWaalsContact O-N 3.1Å
78H96.7Very high90.4Very high21 Ų2161.7 Ų61.710%0.09733%0.325CS..Hα-helixtrans-68.9-39.8-179.8-163.173.5000112.1D74 T75 Y76 R80 L81 I82 F149D74-H78 WeakPolarHBondContact O-CB 3.43Å; D74-H78 PolarHBondContact O-N 2.95Å; T75-H78 PolarHBondContact O-N 3.47Å; Y76-H78 VanDerWaalsContact C-N 3.33Å; Y76-H78 PolarHBondContact O-N 2.88Å; H78-R80 VanDerWaalsContact C-N 3.33Å; H78-R80 PolarHBondContact O-N 3.36Å; H78-L81 VanDerWaalsContact O-CB 3.3Å; H78-L81 WeakPolarHBondContact O-CB 2.96Å; H78-L81 PolarHBondContact O-N 2.9Å; H78-L81 VanDerWaalsContact O-N 3.15Å; H78-I82 WeakPolarHBondContact O-CG1 3.1Å; H78-I82 PolarHBondContact O-N 3.41Å; H78-I82 VanDerWaalsContact O-N 3.08Å; H78-F149 PolarHBondContact CE1-O 2.89Å; H78-F149 PolarHBondContact NE2-O 2.71Å
79L94.7Very high89.5Confident1 Ų162.4 Ų62.41%0.00533%0.329CS..Hα-helixtrans-65.9-34.9173.8-68.6162.8000112.9W44 T75 Y76 L81 I82 C83 F95 F98 L102 L145W44-L79 HydrophobicContact CH2-CB 3.31Å; W44-L79 HydrophobicContact CH2-CD1 3.43Å; W44-L79 VanDerWaalsContact CH2-CD1 3.43Å; W44-L79 HydrophobicContact CH2-CG 3.95Å; W44-L79 HydrophobicContact CZ2-CB 4.15Å; W44-L79 HydrophobicContact CZ3-CB 4.09Å; W44-L79 HydrophobicContact CZ3-CD1 3.44Å; W44-L79 VanDerWaalsContact CZ3-CD1 3.44Å; W44-L79 HydrophobicContact CZ3-CG 4.39Å; T75-L79 HydrophobicContact CG2-CD1 3.78Å; T75-L79 HydrophobicContact CG2-CG 4.4Å; T75-L79 WeakPolarHBondContact O-CB 3.5Å; T75-L79 WeakPolarHBondContact O-CD1 3.33Å; T75-L79 VanDerWaalsContact O-CG 3.23Å; T75-L79 WeakPolarHBondContact O-CG 3.35Å; T75-L79 PolarHBondContact O-N 2.9Å; Y76-L79 PolarHBondContact O-N 2.84Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.05Å; L79-I82 HydrophobicContact CD2-CD1 4.35Å; L79-I82 PolarHBondContact O-N 3.33Å; L79-C83 WeakPolarHBondContact O-CB 3.31Å; L79-C83 PolarHBondContact O-N 3.05Å; L79-C83 PolarHBondContact O-SG 3.22Å; L79-F95 HydrophobicContact CD2-CE2 3.6Å; L79-F95 HydrophobicContact CD2-CZ 4.1Å; L79-F98 HydrophobicContact CD1-CE1 4.09Å; L79-F98 HydrophobicContact CD2-CD1 4.14Å; L79-F98 HydrophobicContact CD2-CE1 3.76Å; L79-F98 HydrophobicContact CG-CE1 4.35Å; L79-L102 HydrophobicContact CD1-CD2 3.77Å; L79-L145 HydrophobicContact CD2-CD1 4.19Å; L79-L145 HydrophobicContact CD2-CD2 3.66Å; L79-L145 HydrophobicContact CG-CD2 3.79Å
80R93.4Very high88.7Confident150 Ų15061.7 Ų61.757%0.56633%0.33SS*.Hα-helixtrans-61.4-37.8171.8-78.8-173.466170.40.9112.2Y76 Q77 H78 A84Y76-R80 HydrophobicContact CD1-CG 4.42Å; Y76-R80 HydrophobicContact CE1-CG 4.05Å; Y76-R80 WeakPolarHBondContact O-CG 3.36Å; Y76-R80 PolarHBondContact O-N 2.88Å; Q77-R80 PolarHBondContact O-N 2.98Å; H78-R80 VanDerWaalsContact C-N 3.33Å; H78-R80 PolarHBondContact O-N 3.36Å; R80-A84 WeakPolarHBondContact O-CB 3.37Å; R80-A84 PolarHBondContact O-N 2.93Å; R80-A84 VanDerWaalsContact O-N 3.12Å
81L94.1Very high88.1Confident67 Ų6763.1 Ų63.135%0.35134%0.338SS..Hα-helixtrans-62.7-46.5175.5-176.364.3000111Q77 H78 L79 A84 Q85 N151Q77-L81 PolarHBondContact O-N 3.44Å; Q77-L81 VanDerWaalsContact O-N 3.1Å; H78-L81 VanDerWaalsContact O-CB 3.3Å; H78-L81 WeakPolarHBondContact O-CB 2.96Å; H78-L81 PolarHBondContact O-N 2.9Å; H78-L81 VanDerWaalsContact O-N 3.15Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.05Å; L81-A84 PolarHBondContact O-N 3.04Å; L81-Q85 WeakPolarHBondContact O-CG 3.49Å; L81-Q85 PolarHBondContact O-N 2.73Å; L81-N151 WeakPolarHBondContact CD2-O 3.46Å
82I93Very high87.8Confident0 Ų063.9 Ų63.90%034%0.342CS..Hα-helixtrans-61.3-51.2177.2-60.4166.1000110.8H78 L79 A84 Q85 E86 L89 F95 L145 F149H78-I82 WeakPolarHBondContact O-CG1 3.1Å; H78-I82 PolarHBondContact O-N 3.41Å; H78-I82 VanDerWaalsContact O-N 3.08Å; L79-I82 HydrophobicContact CD2-CD1 4.35Å; L79-I82 PolarHBondContact O-N 3.33Å; I82-A84 PolarHBondContact O-N 2.88Å; I82-A84 VanDerWaalsContact O-N 3.11Å; I82-Q85 PolarHBondContact O-N 3.09Å; I82-E86 HydrophobicContact CG2-CG 4.39Å; I82-E86 PolarHBondContact O-N 2.96Å; I82-E86 VanDerWaalsContact O-N 3.11Å; I82-L89 HydrophobicContact CG2-CD1 3.46Å; I82-L89 VanDerWaalsContact CG2-CD1 3.46Å; I82-L89 HydrophobicContact CG2-CD2 3.57Å; I82-L89 HydrophobicContact CG2-CG 4.15Å; I82-F95 HydrophobicContact CD1-CE2 4.47Å; I82-F95 HydrophobicContact CG2-CE2 4.2Å; I82-L145 HydrophobicContact CD1-CD1 3.74Å; I82-L145 HydrophobicContact CD1-CD2 4.22Å; I82-L145 HydrophobicContact CD1-CG 4.01Å; I82-F149 HydrophobicContact CB-CD1 4.37Å; I82-F149 HydrophobicContact CD1-CB 3.59Å; I82-F149 HydrophobicContact CD1-CD1 3.89Å; I82-F149 HydrophobicContact CD1-CD2 3.92Å; I82-F149 HydrophobicContact CD1-CG 3.54Å; I82-F149 HydrophobicContact CG1-CB 3.78Å; I82-F149 HydrophobicContact CG1-CD1 3.8Å; I82-F149 HydrophobicContact CG1-CG 3.87Å; I82-F149 HydrophobicContact CG2-CD1 3.61Å; I82-F149 HydrophobicContact CG2-CE1 3.61Å; I82-F149 HydrophobicContact CG2-CG 4.38Å; I82-F149 HydrophobicContact CG2-CZ 4.4Å
83C89.2Confident87.5Confident54 Ų5467.3 Ų67.337%0.36536%0.358SS..Hα-helixtrans-62.5-19.7179.9-69.50000113.9L79L79-C83 WeakPolarHBondContact O-CB 3.31Å; L79-C83 PolarHBondContact O-N 3.05Å; L79-C83 PolarHBondContact O-SG 3.22Å
84A88.4Confident87.4Confident85 Ų8564.7 Ų64.770%0.70234%0.341SS*.Hα-helixtrans-84.5-21.5176.700000113.2R80 L81 I82R80-A84 WeakPolarHBondContact O-CB 3.37Å; R80-A84 PolarHBondContact O-N 2.93Å; R80-A84 VanDerWaalsContact O-N 3.12Å; L81-A84 PolarHBondContact O-N 3.04Å; I82-A84 PolarHBondContact O-N 2.88Å; I82-A84 VanDerWaalsContact O-N 3.11Å
85Q81.5Confident87.3Confident85 Ų8561.6 Ų61.640%0.39732%0.324SS..Hα-helixtrans-104.8-32.6-172.5-67.5-1808.700113.3L81 I82 N151 G152L81-Q85 WeakPolarHBondContact O-CG 3.49Å; L81-Q85 PolarHBondContact O-N 2.73Å; I82-Q85 PolarHBondContact O-N 3.09Å; Q85-N151 PolarHBondContact NE2-O 3.2Å; Q85-N151 PolarHBondContact OE1-O 3.12Å; Q85-N151 VanDerWaalsContact OE1-O 3.13Å; Q85-G152 VanDerWaalsContact OE1-C 3.24Å; Q85-G152 PolarHBondContact OE1-O 2.82Å
86E68.6Low87.1Confident70 Ų7062.8 Ų62.833%0.32733%0.328SS..  trans-103.2112.7-167.3-70.6-71.7177.700112.7I82 Q88 L89 F154I82-E86 HydrophobicContact CG2-CG 4.39Å; I82-E86 PolarHBondContact O-N 2.96Å; I82-E86 VanDerWaalsContact O-N 3.11Å; E86-Q88 PolarHBondContact O-N 2.92Å; E86-L89 HydrophobicContact CB-CB 3.88Å; E86-L89 HydrophobicContact CB-CD1 4.03Å; E86-L89 HydrophobicContact CB-CG 4.38Å; E86-L89 HydrophobicContact CG-CD1 4.33Å; E86-F154 PolarHBondContact OE1-N 3.46Å
87C60.4Low87Confident134 Ų13460 Ų6091%0.90532%0.318SS*.THydrogen-bonded Turntrans-77.1-19.4-176.3-153.80000113.7
88Q71.3Confident87Confident154 Ų15453.7 Ų53.772%0.7229%0.288SS*.THydrogen-bonded Turntrans-12224.9-176.8-65-179.4100112.7E86 G90 D91E86-Q88 PolarHBondContact O-N 2.92Å; Q88-G90 PolarHBondContact O-N 3.34Å; Q88-G90 VanDerWaalsContact O-N 3.07Å; Q88-D91 PolarHBondContact O-N 3.41Å
89L77.9Confident87Confident18 Ų1852.7 Ų52.79%0.09428%0.284CS..THydrogen-bonded Turntrans-58.8-25.1-176.9-168.465.2000113.8I82 E86 D91 N92 F95 F149I82-L89 HydrophobicContact CG2-CD1 3.46Å; I82-L89 VanDerWaalsContact CG2-CD1 3.46Å; I82-L89 HydrophobicContact CG2-CD2 3.57Å; I82-L89 HydrophobicContact CG2-CG 4.15Å; E86-L89 HydrophobicContact CB-CB 3.88Å; E86-L89 HydrophobicContact CB-CD1 4.03Å; E86-L89 HydrophobicContact CB-CG 4.38Å; E86-L89 HydrophobicContact CG-CD1 4.33Å; L89-D91 PolarHBondContact O-N 3.43Å; L89-N92 PolarHBondContact O-N 2.91Å; L89-F95 HydrophobicContact CD1-CB 4.11Å; L89-F95 HydrophobicContact CD1-CD1 3.9Å; L89-F95 HydrophobicContact CD1-CD2 3.87Å; L89-F95 HydrophobicContact CD1-CE1 4.25Å; L89-F95 HydrophobicContact CD1-CE2 4.23Å; L89-F95 HydrophobicContact CD1-CG 3.68Å; L89-F95 HydrophobicContact CD1-CZ 4.42Å; L89-F95 HydrophobicContact CD2-CD1 3.93Å; L89-F95 HydrophobicContact CD2-CD2 4.34Å; L89-F95 HydrophobicContact CD2-CE1 3.41Å; L89-F95 VanDerWaalsContact CD2-CE1 3.41Å; L89-F95 HydrophobicContact CD2-CE2 3.89Å; L89-F95 HydrophobicContact CD2-CG 4.35Å; L89-F95 HydrophobicContact CD2-CZ 3.4Å; L89-F95 HydrophobicContact CG-CD1 3.47Å; L89-F95 VanDerWaalsContact CG-CD1 3.47Å; L89-F95 HydrophobicContact CG-CD2 4.2Å; L89-F95 HydrophobicContact CG-CE1 3.52Å; L89-F95 HydrophobicContact CG-CE2 4.24Å; L89-F95 HydrophobicContact CG-CG 3.82Å; L89-F95 HydrophobicContact CG-CZ 3.93Å; L89-F149 HydrophobicContact CD1-CE1 3.82Å; L89-F149 HydrophobicContact CD1-CZ 4.06Å
90G77.7Confident87Confident20 Ų2055.7 Ų55.721%0.20630%0.297CS..THydrogen-bonded Turntrans-61-28.8179.700000114.6P34 I35 Q88 R96P34-G90 WeakPolarHBondContact CA-O 3.33Å; I35-G90 PolarHBondContact N-O 3.22Å; I35-G90 VanDerWaalsContact N-O 3.13Å; I35-G90 WeakPolarHBondContact O-CA 3.25Å; Q88-G90 PolarHBondContact O-N 3.34Å; Q88-G90 VanDerWaalsContact O-N 3.07Å; G90-R96 WeakPolarHBondContact O-CD 3.4Å; G90-R96 WeakPolarHBondContact O-CG 3.45Å
91D83.7Confident87.2Confident114 Ų11448.9 Ų48.961%0.6127%0.272SS*.THydrogen-bonded Turntrans-98.2-13.6-176.6-62.9-39000112.9Q88 L89 E93Q88-D91 PolarHBondContact O-N 3.41Å; L89-D91 PolarHBondContact O-N 3.43Å; D91-E93 PolarHBondContact O-N 3.06Å
92N90.8Very high87.4Confident29 Ų2945.7 Ų45.716%0.15526%0.255CS..  trans-61.2114.1177.6-177.9-65.1000110.3L89 Y94 F95 R96 F154L89-N92 PolarHBondContact O-N 2.91Å; N92-Y94 PolarHBondContact O-N 2.72Å; N92-Y94 PolarHBondContact OD1-N 3.07Å; N92-F95 HydrophobicContact CB-CB 3.92Å; N92-F95 PolarHBondContact O-N 3.4Å; N92-F95 WeakPolarHBondContact OD1-CB 3.24Å; N92-F95 PolarHBondContact OD1-N 3.3Å; N92-R96 WeakPolarHBondContact O-CG 3.5Å; N92-R96 PolarHBondContact O-N 3.48Å; N92-F154 WeakPolarHBondContact ND2-CD1 3.35Å; N92-F154 VanDerWaalsContact ND2-CE1 3.25Å; N92-F154 WeakPolarHBondContact ND2-CE1 3.3Å; N92-F154 VanDerWaalsContact ND2-CG 3.35Å; N92-F154 WeakPolarHBondContact ND2-CG 3.35Å
93E92.2Very high87.6Confident72 Ų7246.2 Ų46.234%0.33626%0.257SS..Hα-helixtrans-55.5-54.3-175.6-178.1-179.3-14500112.2D91 F95 R96 F97D91-E93 PolarHBondContact O-N 3.06Å; E93-F95 VanDerWaalsContact C-N 3.29Å; E93-F95 PolarHBondContact O-N 2.85Å; E93-R96 WeakPolarHBondContact O-CB 3.47Å; E93-R96 PolarHBondContact O-N 2.62Å; E93-F97 HydrophobicContact CG-CD2 3.97Å; E93-F97 HydrophobicContact CG-CE2 3.88Å; E93-F97 WeakPolarHBondContact O-CD2 3.4Å; E93-F97 PolarHBondContact O-N 3.4Å; E93-F97 VanDerWaalsContact O-N 3.11Å
94Y94.3Very high88Confident2 Ų246.9 Ų46.91%0.00825%0.252CS..Hα-helixtrans-55.6-46.2179.4170.1-87000111.4N92 R96 F97 F98 E144 L145 E148 F149 F154N92-Y94 PolarHBondContact O-N 2.72Å; N92-Y94 PolarHBondContact OD1-N 3.07Å; Y94-R96 VanDerWaalsContact C-N 3.34Å; Y94-R96 PolarHBondContact O-N 2.91Å; Y94-F97 PolarHBondContact O-N 2.66Å; Y94-F98 HydrophobicContact CE1-CB 4.2Å; Y94-F98 WeakPolarHBondContact O-CB 3.4Å; Y94-F98 PolarHBondContact O-N 2.73Å; Y94-E144 HydrophobicContact CE2-CG 4.09Å; Y94-E144 WeakPolarHBondContact CE2-OE1 3.18Å; Y94-E144 VanDerWaalsContact OH-CG 3.29Å; Y94-E144 WeakPolarHBondContact OH-CG 3.37Å; Y94-E144 PolarHBondContact OH-OE1 3.27Å; Y94-L145 HydrophobicContact CE1-CD1 4.27Å; Y94-E148 HydrophobicContact CD1-CB 4.3Å; Y94-E148 HydrophobicContact CD1-CG 4.47Å; Y94-E148 HydrophobicContact CD2-CG 4.29Å; Y94-E148 HydrophobicContact CE1-CB 3.87Å; Y94-E148 HydrophobicContact CE1-CG 4.08Å; Y94-E148 HydrophobicContact CE2-CG 3.9Å; Y94-F149 HydrophobicContact CD1-CD2 4.49Å; Y94-F149 AromaticContact CD1-CE2 3.64Å; Y94-F149 HydrophobicContact CD1-CE2 3.64Å; Y94-F149 HydrophobicContact CD1-CZ 4.48Å; Y94-F149 HydrophobicContact CE1-CD2 4.23Å; Y94-F149 AromaticContact CE1-CE2 3.75Å; Y94-F149 HydrophobicContact CE1-CE2 3.75Å; Y94-F154 HydrophobicContact CD1-CE2 4.34Å; Y94-F154 HydrophobicContact CG-CE2 4.44Å
95F94.7Very high88.4Confident1 Ų143.4 Ų43.40%0.00422%0.222CC..Hα-helixtrans-63.4-39.2-178.7-170.7-103.4000112.4I35 I40 L79 I82 L89 N92 E93 F98 V99 F149I35-F95 HydrophobicContact CG1-CD1 4.13Å; I35-F95 HydrophobicContact CG1-CE1 4.31Å; I35-F95 HydrophobicContact CG2-CE1 4.23Å; I40-F95 HydrophobicContact CD1-CE1 4.08Å; I40-F95 HydrophobicContact CD1-CZ 4.13Å; L79-F95 HydrophobicContact CD2-CE2 3.6Å; L79-F95 HydrophobicContact CD2-CZ 4.1Å; I82-F95 HydrophobicContact CD1-CE2 4.47Å; I82-F95 HydrophobicContact CG2-CE2 4.2Å; L89-F95 HydrophobicContact CD1-CB 4.11Å; L89-F95 HydrophobicContact CD1-CD1 3.9Å; L89-F95 HydrophobicContact CD1-CD2 3.87Å; L89-F95 HydrophobicContact CD1-CE1 4.25Å; L89-F95 HydrophobicContact CD1-CE2 4.23Å; L89-F95 HydrophobicContact CD1-CG 3.68Å; L89-F95 HydrophobicContact CD1-CZ 4.42Å; L89-F95 HydrophobicContact CD2-CD1 3.93Å; L89-F95 HydrophobicContact CD2-CD2 4.34Å; L89-F95 HydrophobicContact CD2-CE1 3.41Å; L89-F95 VanDerWaalsContact CD2-CE1 3.41Å; L89-F95 HydrophobicContact CD2-CE2 3.89Å; L89-F95 HydrophobicContact CD2-CG 4.35Å; L89-F95 HydrophobicContact CD2-CZ 3.4Å; L89-F95 HydrophobicContact CG-CD1 3.47Å; L89-F95 VanDerWaalsContact CG-CD1 3.47Å; L89-F95 HydrophobicContact CG-CD2 4.2Å; L89-F95 HydrophobicContact CG-CE1 3.52Å; L89-F95 HydrophobicContact CG-CE2 4.24Å; L89-F95 HydrophobicContact CG-CG 3.82Å; L89-F95 HydrophobicContact CG-CZ 3.93Å; N92-F95 HydrophobicContact CB-CB 3.92Å; N92-F95 PolarHBondContact O-N 3.4Å; N92-F95 WeakPolarHBondContact OD1-CB 3.24Å; N92-F95 PolarHBondContact OD1-N 3.3Å; E93-F95 VanDerWaalsContact C-N 3.29Å; E93-F95 PolarHBondContact O-N 2.85Å; F95-F98 PolarHBondContact O-N 2.91Å; F95-V99 HydrophobicContact CD1-CG2 4.03Å; F95-V99 HydrophobicContact CD2-CG2 4.47Å; F95-V99 HydrophobicContact CE1-CG2 3.61Å; F95-V99 HydrophobicContact CE2-CG2 4.09Å; F95-V99 HydrophobicContact CG-CG2 4.45Å; F95-V99 HydrophobicContact CZ-CG2 3.63Å; F95-V99 WeakPolarHBondContact O-CG2 3.41Å; F95-V99 PolarHBondContact O-N 3.02Å; F95-F149 HydrophobicContact CB-CZ 4.21Å; F95-F149 HydrophobicContact CD2-CE2 4.32Å; F95-F149 HydrophobicContact CD2-CZ 4.13Å
96R94Very high89.2Confident28 Ų2839.4 Ų39.411%0.10620%0.203CC..Hα-helixtrans-57.6-52.5172.9-67.8-178-70.1144.7-8110.4E31 P32 I35 G90 N92 E93 Y94 F98 V99 F100E31-R96 IonicContact OE1-CZ 2.56Å; E31-R96 VanDerWaalsContact OE1-CZ 3.23Å; E31-R96 IonicContact OE1-NH1 3.1Å; E31-R96 PolarHBondContact OE1-NH1 3.26Å; E31-R96 IonicContact OE1-NH2 2.72Å; E31-R96 PolarHBondContact OE1-NH2 3.28Å; P32-R96 HydrophobicContact CB-CB 4.15Å; P32-R96 HydrophobicContact CG-CB 3.71Å; P32-R96 PolarHBondContact O-NH1 2.98Å; I35-R96 HydrophobicContact CG1-CB 4.45Å; I35-R96 HydrophobicContact CG1-CG 4.01Å; G90-R96 WeakPolarHBondContact O-CD 3.4Å; G90-R96 WeakPolarHBondContact O-CG 3.45Å; N92-R96 WeakPolarHBondContact O-CG 3.5Å; N92-R96 PolarHBondContact O-N 3.48Å; E93-R96 WeakPolarHBondContact O-CB 3.47Å; E93-R96 PolarHBondContact O-N 2.62Å; Y94-R96 VanDerWaalsContact C-N 3.34Å; Y94-R96 PolarHBondContact O-N 2.91Å; R96-F98 VanDerWaalsContact C-N 3.33Å; R96-F98 PolarHBondContact O-N 3.26Å; R96-V99 PolarHBondContact O-N 3.05Å; R96-F100 VanDerWaalsContact O-CD2 3.3Å; R96-F100 WeakPolarHBondContact O-CD2 3.39Å; R96-F100 PolarHBondContact O-N 3.16Å; R96-F100 VanDerWaalsContact O-N 3.13Å
97F95.1Very high90.6Very high18 Ų1841.1 Ų41.18%0.07921%0.209CC..Hα-helixtrans-59.4-42.9178.4-83.4-80.6000112.6E31 P32 E93 Y94 N101 L179 Y215E31-F97 HydrophobicContact CG-CE2 4.39Å; E31-F97 HydrophobicContact CG-CZ 4.42Å; P32-F97 VanDerWaalsContact CD-CE1 3.4Å; P32-F97 VanDerWaalsContact CD-CE2 3.47Å; P32-F97 HydrophobicContact CG-CD1 3.93Å; P32-F97 HydrophobicContact CG-CD2 3.78Å; P32-F97 HydrophobicContact CG-CE1 3.99Å; P32-F97 HydrophobicContact CG-CE2 3.87Å; P32-F97 HydrophobicContact CG-CG 3.81Å; P32-F97 HydrophobicContact CG-CZ 3.98Å; E93-F97 HydrophobicContact CG-CD2 3.97Å; E93-F97 HydrophobicContact CG-CE2 3.88Å; E93-F97 WeakPolarHBondContact O-CD2 3.4Å; E93-F97 PolarHBondContact O-N 3.4Å; E93-F97 VanDerWaalsContact O-N 3.11Å; Y94-F97 PolarHBondContact O-N 2.66Å; F97-N101 WeakPolarHBondContact O-CB 3.34Å; F97-N101 PolarHBondContact O-N 2.94Å; F97-L179 HydrophobicContact CB-CD2 3.63Å; F97-L179 HydrophobicContact CD1-CD2 4.23Å; F97-L179 HydrophobicContact CD2-CD2 3.47Å; F97-L179 VanDerWaalsContact CD2-CD2 3.47Å; F97-L179 HydrophobicContact CE2-CD2 4.16Å; F97-L179 HydrophobicContact CG-CD2 3.5Å; F97-Y215 HydrophobicContact CD1-CD2 4.02Å; F97-Y215 HydrophobicContact CD1-CE2 4.01Å; F97-Y215 HydrophobicContact CD1-CG 4.35Å; F97-Y215 HydrophobicContact CE1-CD1 4.14Å; F97-Y215 AromaticContact CE1-CD2 3.7Å; F97-Y215 HydrophobicContact CE1-CD2 3.7Å; F97-Y215 AromaticContact CE1-CE1 3.69Å; F97-Y215 HydrophobicContact CE1-CE1 3.69Å; F97-Y215 AromaticContact CE1-CE2 3.23Å; F97-Y215 HydrophobicContact CE1-CE2 3.23Å; F97-Y215 HydrophobicContact CE1-CG 4.16Å; F97-Y215 AromaticContact CE1-CZ 3.22Å; F97-Y215 HydrophobicContact CE2-CE1 4.15Å; F97-Y215 HydrophobicContact CZ-CD1 4.15Å; F97-Y215 HydrophobicContact CZ-CD2 4.46Å; F97-Y215 AromaticContact CZ-CE1 3.45Å; F97-Y215 HydrophobicContact CZ-CE1 3.45Å; F97-Y215 VanDerWaalsContact CZ-CE1 3.45Å; F97-Y215 AromaticContact CZ-CE2 3.85Å; F97-Y215 HydrophobicContact CZ-CE2 3.85Å; F97-Y215 AromaticContact CZ-CZ 3.29Å; F97-Y215 WeakPolarHBondContact CZ-OH 3.19Å
98F96.1Very high92.3Very high4 Ų435.2 Ų35.22%0.01817%0.169CC..Hα-helixtrans-59-53.3177.7179.1-88.5000112T75 L79 Y94 F95 R96 F100 N101 L102 M141 L145T75-F98 HydrophobicContact CG2-CZ 4.16Å; L79-F98 HydrophobicContact CD1-CE1 4.09Å; L79-F98 HydrophobicContact CD2-CD1 4.14Å; L79-F98 HydrophobicContact CD2-CE1 3.76Å; L79-F98 HydrophobicContact CG-CE1 4.35Å; Y94-F98 HydrophobicContact CE1-CB 4.2Å; Y94-F98 WeakPolarHBondContact O-CB 3.4Å; Y94-F98 PolarHBondContact O-N 2.73Å; F95-F98 PolarHBondContact O-N 2.91Å; R96-F98 VanDerWaalsContact C-N 3.33Å; R96-F98 PolarHBondContact O-N 3.26Å; F98-F100 PolarHBondContact O-N 3.22Å; F98-N101 PolarHBondContact O-N 3.12Å; F98-L102 HydrophobicContact CE1-CB 4.38Å; F98-L102 HydrophobicContact CE1-CD2 3.85Å; F98-L102 HydrophobicContact CZ-CD2 4.35Å; F98-L102 WeakPolarHBondContact O-CB 3.21Å; F98-L102 PolarHBondContact O-N 2.92Å; F98-M141 HydrophobicContact CD2-CE 4.25Å; F98-M141 HydrophobicContact CE2-CB 3.88Å; F98-M141 HydrophobicContact CE2-CE 3.93Å; F98-M141 WeakPolarHBondContact CE2-O 3.31Å; F98-M141 HydrophobicContact CZ-CB 4.5Å; F98-M141 HydrophobicContact CZ-CE 4.25Å; F98-L145 HydrophobicContact CD1-CD1 3.97Å; F98-L145 HydrophobicContact CD2-CB 4.3Å; F98-L145 HydrophobicContact CD2-CD1 4.12Å; F98-L145 HydrophobicContact CE1-CD1 4.01Å; F98-L145 HydrophobicContact CE1-CD2 3.89Å; F98-L145 HydrophobicContact CE1-CG 4.41Å; F98-L145 HydrophobicContact CE2-CB 3.73Å; F98-L145 HydrophobicContact CE2-CD1 4.13Å; F98-L145 HydrophobicContact CE2-CD2 4.31Å; F98-L145 HydrophobicContact CE2-CG 4.26Å; F98-L145 HydrophobicContact CG-CD1 4.05Å; F98-L145 HydrophobicContact CZ-CB 3.97Å; F98-L145 HydrophobicContact CZ-CD1 4.09Å; F98-L145 HydrophobicContact CZ-CD2 3.68Å; F98-L145 HydrophobicContact CZ-CG 4.12Å
99V95.6Very high93.5Very high1 Ų127.9 Ų27.91%0.00614%0.135CC..Hα-helixtrans-63.2-46.2-176171.90000111.2I35 V39 I40 T43 F95 R96 N101 L102 M103I35-V99 HydrophobicContact CD1-CB 3.83Å; I35-V99 HydrophobicContact CD1-CG1 3.78Å; I35-V99 HydrophobicContact CD1-CG2 4.42Å; I35-V99 HydrophobicContact CG1-CB 4.43Å; V39-V99 HydrophobicContact CG1-CG1 3.9Å; I40-V99 HydrophobicContact CD1-CG1 4.44Å; I40-V99 HydrophobicContact CD1-CG2 4.22Å; T43-V99 HydrophobicContact CG2-CG1 4.45Å; T43-V99 WeakPolarHBondContact OG1-CG1 3.37Å; F95-V99 HydrophobicContact CD1-CG2 4.03Å; F95-V99 HydrophobicContact CD2-CG2 4.47Å; F95-V99 HydrophobicContact CE1-CG2 3.61Å; F95-V99 HydrophobicContact CE2-CG2 4.09Å; F95-V99 HydrophobicContact CG-CG2 4.45Å; F95-V99 HydrophobicContact CZ-CG2 3.63Å; F95-V99 WeakPolarHBondContact O-CG2 3.41Å; F95-V99 PolarHBondContact O-N 3.02Å; R96-V99 PolarHBondContact O-N 3.05Å; V99-N101 VanDerWaalsContact C-N 3.34Å; V99-N101 PolarHBondContact O-N 3.12Å; V99-L102 WeakPolarHBondContact O-CB 3.17Å; V99-L102 PolarHBondContact O-N 3.13Å; V99-M103 HydrophobicContact CG1-SD 4.41Å; V99-M103 WeakPolarHBondContact O-CG 3.26Å; V99-M103 PolarHBondContact O-N 3.05Å
100F95.7Very high94.5Very high64 Ų6429 Ų2928%0.28114%0.141SC..Hα-helixtrans-66-37.1178-81.4-77.8000112.3P32 P33 I35 V39 R96 F98 M103 R104P32-F100 HydrophobicContact CB-CB 4.35Å; P32-F100 HydrophobicContact CB-CD2 3.36Å; P32-F100 HydrophobicContact CB-CE2 3.86Å; P32-F100 HydrophobicContact CB-CG 3.99Å; P32-F100 HydrophobicContact CG-CD2 4.49Å; P33-F100 HydrophobicContact CG-CE1 4.32Å; P33-F100 HydrophobicContact CG-CE2 3.89Å; P33-F100 HydrophobicContact CG-CZ 3.51Å; P33-F100 WeakPolarHBondContact O-CE2 3.31Å; I35-F100 HydrophobicContact CD1-CD2 3.86Å; I35-F100 HydrophobicContact CD1-CE2 3.46Å; I35-F100 VanDerWaalsContact CD1-CE2 3.46Å; I35-F100 HydrophobicContact CD1-CZ 4.29Å; V39-F100 HydrophobicContact CG1-CZ 4.21Å; V39-F100 HydrophobicContact CG2-CZ 4.49Å; R96-F100 VanDerWaalsContact O-CD2 3.3Å; R96-F100 WeakPolarHBondContact O-CD2 3.39Å; R96-F100 PolarHBondContact O-N 3.16Å; R96-F100 VanDerWaalsContact O-N 3.13Å; F98-F100 PolarHBondContact O-N 3.22Å; F100-M103 HydrophobicContact CD1-SD 4.43Å; F100-R104 WeakPolarHBondContact O-CB 3.28Å; F100-R104 PolarHBondContact O-N 3.13Å
101N97Very high95.4Very high6 Ų632.5 Ų32.53%0.03215%0.151CC..Hα-helixtrans-63.8-42.6173.1-169.931.9000111.3F97 F98 V99 M103 R104 K105 M141 T211 N213F97-N101 WeakPolarHBondContact O-CB 3.34Å; F97-N101 PolarHBondContact O-N 2.94Å; F98-N101 PolarHBondContact O-N 3.12Å; V99-N101 VanDerWaalsContact C-N 3.34Å; V99-N101 PolarHBondContact O-N 3.12Å; N101-M103 PolarHBondContact O-N 3.41Å; N101-R104 WeakPolarHBondContact O-CB 3.31Å; N101-R104 PolarHBondContact O-N 3.46Å; N101-R104 VanDerWaalsContact O-N 3.14Å; N101-R104 PolarHBondContact OD1-NH2 3.13Å; N101-K105 WeakPolarHBondContact O-CG 3.4Å; N101-K105 PolarHBondContact O-N 2.9Å; N101-K105 PolarHBondContact OD1-NZ 2.87Å; N101-M141 HydrophobicContact CB-CE 4.12Å; N101-T211 PolarHBondContact ND2-O 2.87Å; N101-N213 HydrophobicContact CB-CB 4.28Å
102L97.8Very high95.9Very high1 Ų127.7 Ų27.71%0.00513%0.126CC..Hα-helixtrans-61-46.5179.6178.461.4000111.1T43 M47 T75 L79 F98 V99 R104 K105 C106 F138 M141T43-L102 HydrophobicContact CG2-CD2 3.73Å; T43-L102 HydrophobicContact CG2-CG 4.09Å; M47-L102 HydrophobicContact CE-CD2 4.5Å; M47-L102 HydrophobicContact SD-CD2 3.77Å; M47-L102 HydrophobicContact SD-CG 4.44Å; T75-L102 HydrophobicContact CG2-CD2 4.16Å; L79-L102 HydrophobicContact CD1-CD2 3.77Å; F98-L102 HydrophobicContact CE1-CB 4.38Å; F98-L102 HydrophobicContact CE1-CD2 3.85Å; F98-L102 HydrophobicContact CZ-CD2 4.35Å; F98-L102 WeakPolarHBondContact O-CB 3.21Å; F98-L102 PolarHBondContact O-N 2.92Å; V99-L102 WeakPolarHBondContact O-CB 3.17Å; V99-L102 PolarHBondContact O-N 3.13Å; L102-R104 VanDerWaalsContact C-N 3.31Å; L102-R104 PolarHBondContact O-N 2.65Å; L102-K105 PolarHBondContact O-N 2.77Å; L102-C106 PolarHBondContact O-N 3.43Å; L102-C106 PolarHBondContact O-SG 3.05Å; L102-F138 HydrophobicContact CD1-CD1 3.91Å; L102-F138 HydrophobicContact CD1-CE1 3.75Å; L102-M141 HydrophobicContact CB-CE 3.76Å; L102-M141 HydrophobicContact CD1-CE 4.22Å
103M97.3Very high96.2Very high10 Ų1027.3 Ų27.35%0.04912%0.123CC..Hα-helixtrans-58.6-43174.4-69.117772.300112.1V39 K42 T43 L46 V99 F100 N101 C106 K107V39-M103 HydrophobicContact CG1-SD 3.94Å; K42-M103 HydrophobicContact CB-CE 4.24Å; K42-M103 HydrophobicContact CD-CE 3.56Å; K42-M103 HydrophobicContact CG-CE 3.75Å; T43-M103 HydrophobicContact CG2-CG 4.03Å; T43-M103 WeakPolarHBondContact OG1-CG 3.43Å; T43-M103 PolarHBondContact OG1-SD 3.42Å; T43-M103 VanDerWaalsContact OG1-SD 3.4Å; L46-M103 HydrophobicContact CD1-CB 4Å; L46-M103 HydrophobicContact CD1-CE 4.11Å; L46-M103 HydrophobicContact CD1-CG 4.15Å; V99-M103 HydrophobicContact CG1-SD 4.41Å; V99-M103 WeakPolarHBondContact O-CG 3.26Å; V99-M103 PolarHBondContact O-N 3.05Å; F100-M103 HydrophobicContact CD1-SD 4.43Å; N101-M103 PolarHBondContact O-N 3.41Å; M103-C106 PolarHBondContact O-N 3.29Å; M103-K107 WeakPolarHBondContact O-CG 3.45Å; M103-K107 PolarHBondContact O-N 3.4Å
104R97.1Very high96.4Very high68 Ų6831.3 Ų31.326%0.25714%0.14SC..Hα-helixtrans-62.1-50.9177.8-178.7175.456.2163.63.6110.6F100 N101 L102 C106 K107 S108 C212 N213F100-R104 WeakPolarHBondContact O-CB 3.28Å; F100-R104 PolarHBondContact O-N 3.13Å; N101-R104 WeakPolarHBondContact O-CB 3.31Å; N101-R104 PolarHBondContact O-N 3.46Å; N101-R104 VanDerWaalsContact O-N 3.14Å; N101-R104 PolarHBondContact OD1-NH2 3.13Å; L102-R104 VanDerWaalsContact C-N 3.31Å; L102-R104 PolarHBondContact O-N 2.65Å; R104-C106 VanDerWaalsContact C-N 3.29Å; R104-C106 PolarHBondContact O-N 3.23Å; R104-K107 WeakPolarHBondContact O-CB 3.43Å; R104-K107 PolarHBondContact O-N 3.37Å; R104-S108 PolarHBondContact O-N 3.33Å; R104-S108 PolarHBondContact O-OG 3.35Å; R104-C212 PolarHBondContact NH2-O 2.85Å; R104-N213 VanDerWaalsContact NH2-CA 3.34Å
105K97.7Very high96.4Very high13 Ų1334.9 Ų34.96%0.05716%0.162CC..Hα-helixtrans-62.6-33.3178.9-63.4-61-172.8-75.30112.8N101 L102 S108 T109 L134 I137 F138 M141 T211 C212N101-K105 WeakPolarHBondContact O-CG 3.4Å; N101-K105 PolarHBondContact O-N 2.9Å; N101-K105 PolarHBondContact OD1-NZ 2.87Å; L102-K105 PolarHBondContact O-N 2.77Å; K105-S108 WeakPolarHBondContact O-CB 3.48Å; K105-S108 PolarHBondContact O-N 3.33Å; K105-T109 WeakPolarHBondContact O-CB 3.48Å; K105-T109 PolarHBondContact O-N 2.9Å; K105-T109 PolarHBondContact O-OG1 3.25Å; K105-L134 HydrophobicContact CD-CD2 4.12Å; K105-I137 HydrophobicContact CD-CG2 4.06Å; K105-I137 HydrophobicContact CG-CG2 4.24Å; K105-F138 HydrophobicContact CB-CD1 4.44Å; K105-F138 HydrophobicContact CB-CE1 3.67Å; K105-F138 HydrophobicContact CB-CZ 3.78Å; K105-M141 HydrophobicContact CG-SD 4.03Å; K105-T211 VanDerWaalsContact CE-O 3.29Å; K105-T211 WeakPolarHBondContact CE-O 3.26Å; K105-T211 PolarHBondContact NZ-O 3.49Å; K105-C212 PolarHBondContact NZ-O 2.93Å
106C98.3Very high96.4Very high0 Ų037.7 Ų37.70%017%0.173CC..Hα-helixtrans-63.6-46.6171.2-67.80000111.6L46 V50 L102 M103 R104 S108 T109 L110L46-C106 HydrophobicContact CB-CB 3.78Å; V50-C106 HydrophobicContact CG2-CB 3.92Å; L102-C106 PolarHBondContact O-N 3.43Å; L102-C106 PolarHBondContact O-SG 3.05Å; M103-C106 PolarHBondContact O-N 3.29Å; R104-C106 VanDerWaalsContact C-N 3.29Å; R104-C106 PolarHBondContact O-N 3.23Å; C106-S108 PolarHBondContact O-N 2.97Å; C106-T109 WeakPolarHBondContact O-CB 3.26Å; C106-T109 PolarHBondContact O-N 3.24Å; C106-L110 WeakPolarHBondContact O-CG 3.4Å; C106-L110 PolarHBondContact O-N 3.2Å
107K98Very high96.4Very high107 Ų10744.8 Ų44.847%0.46520%0.199SC..Hα-helixtrans-62.3-42.7175.9-68.2171.1-175.1175.40112.1L46 M103 R104 T109 L110 H111L46-K107 HydrophobicContact CD1-CG 4.29Å; L46-K107 HydrophobicContact CD2-CG 4.08Å; M103-K107 WeakPolarHBondContact O-CG 3.45Å; M103-K107 PolarHBondContact O-N 3.4Å; R104-K107 WeakPolarHBondContact O-CB 3.43Å; R104-K107 PolarHBondContact O-N 3.37Å; K107-T109 VanDerWaalsContact C-N 3.27Å; K107-T109 PolarHBondContact O-N 3.01Å; K107-L110 PolarHBondContact O-N 3.29Å; K107-H111 WeakPolarHBondContact O-CB 3.33Å; K107-H111 PolarHBondContact O-N 3.06Å
108S96.4Very high96.4Very high9 Ų950 Ų506%0.06322%0.224CC..Hα-helixtrans-54.6-45.5173.3-520000111.4E23 R104 K105 C106 H111 V112E23-S108 VanDerWaalsContact OE2-CA 3.28Å; E23-S108 WeakPolarHBondContact OE2-CA 3.22Å; E23-S108 WeakPolarHBondContact OE2-CB 3.38Å; E23-S108 PolarHBondContact OE2-OG 3.07Å; R104-S108 PolarHBondContact O-N 3.33Å; R104-S108 PolarHBondContact O-OG 3.35Å; K105-S108 WeakPolarHBondContact O-CB 3.48Å; K105-S108 PolarHBondContact O-N 3.33Å; C106-S108 PolarHBondContact O-N 2.97Å; S108-H111 WeakPolarHBondContact O-CB 3.46Å; S108-H111 PolarHBondContact O-N 2.95Å; S108-V112 WeakPolarHBondContact O-CG2 3.49Å; S108-V112 PolarHBondContact O-N 2.92Å
109T97Very high96.3Very high0 Ų054.7 Ų54.70%025%0.246CC..Hα-helixtrans-61.5-49.8178.1-58.50000111.2V50 K105 C106 K107 H111 V112 F113 L131 F138V50-T109 HydrophobicContact CB-CG2 4.47Å; V50-T109 HydrophobicContact CG1-CG2 3.56Å; V50-T109 HydrophobicContact CG2-CG2 4.12Å; K105-T109 WeakPolarHBondContact O-CB 3.48Å; K105-T109 PolarHBondContact O-N 2.9Å; K105-T109 PolarHBondContact O-OG1 3.25Å; C106-T109 WeakPolarHBondContact O-CB 3.26Å; C106-T109 PolarHBondContact O-N 3.24Å; K107-T109 VanDerWaalsContact C-N 3.27Å; K107-T109 PolarHBondContact O-N 3.01Å; T109-H111 PolarHBondContact O-N 3.39Å; T109-V112 WeakPolarHBondContact O-CB 3.44Å; T109-V112 PolarHBondContact O-N 3.3Å; T109-F113 HydrophobicContact CG2-CD2 4.31Å; T109-F113 HydrophobicContact CG2-CE2 4.08Å; T109-F113 VanDerWaalsContact O-CD2 3.3Å; T109-F113 WeakPolarHBondContact O-CD2 3.46Å; T109-F113 PolarHBondContact O-N 3.46Å; T109-L131 HydrophobicContact CG2-CD1 3.59Å; T109-F138 WeakPolarHBondContact OG1-CE2 3.13Å
110L97.7Very high96.2Very high42 Ų4254.7 Ų54.722%0.2225%0.246CC..Hα-helixtrans-60.8-35.6176.2-63.2172.5000112.1L46 Q49 V50 I53 C106 K107 F113 K114L46-L110 HydrophobicContact CD2-CD1 4.07Å; Q49-L110 HydrophobicContact CB-CD1 4.14Å; Q49-L110 HydrophobicContact CB-CD2 4.03Å; V50-L110 HydrophobicContact CG2-CD2 4.04Å; V50-L110 HydrophobicContact CG2-CG 3.96Å; I53-L110 HydrophobicContact CG2-CD2 4.19Å; C106-L110 WeakPolarHBondContact O-CG 3.4Å; C106-L110 PolarHBondContact O-N 3.2Å; K107-L110 PolarHBondContact O-N 3.29Å; L110-F113 PolarHBondContact O-N 3.2Å; L110-K114 PolarHBondContact O-N 3.49Å; L110-K114 VanDerWaalsContact O-N 3.1Å
111H96.2Very high96.1Very high93 Ų9355 Ų5543%0.43125%0.245SC..Hα-helixtrans-65-43.8175.8-175.672.6000112.2E23 K107 S108 T109 F113 K114 V115E23-H111 IonicContact OE1-CD2 3.21Å; E23-H111 PolarHBondContact OE1-CD2 3.22Å; E23-H111 IonicContact OE1-CG 3.59Å; K107-H111 WeakPolarHBondContact O-CB 3.33Å; K107-H111 PolarHBondContact O-N 3.06Å; S108-H111 WeakPolarHBondContact O-CB 3.46Å; S108-H111 PolarHBondContact O-N 2.95Å; T109-H111 PolarHBondContact O-N 3.39Å; H111-F113 VanDerWaalsContact C-N 3.3Å; H111-F113 PolarHBondContact O-N 2.84Å; H111-K114 WeakPolarHBondContact O-CA 3.31Å; H111-K114 WeakPolarHBondContact O-CB 3.41Å; H111-K114 PolarHBondContact O-N 3.11Å; H111-V115 VanDerWaalsContact NE2-CG2 3.35Å; H111-V115 WeakPolarHBondContact NE2-CG2 3.36Å; H111-V115 WeakPolarHBondContact O-CG2 3.26Å; H111-V115 PolarHBondContact O-N 3.15Å
112V95.1Very high95.9Very high14 Ų1458.5 Ų58.59%0.08526%0.264CS..Hα-helixtrans-54.1-46.9174.3167.10000110.9S108 T109 K114 V115 Y116 M120 L134S108-V112 WeakPolarHBondContact O-CG2 3.49Å; S108-V112 PolarHBondContact O-N 2.92Å; T109-V112 WeakPolarHBondContact O-CB 3.44Å; T109-V112 PolarHBondContact O-N 3.3Å; V112-K114 VanDerWaalsContact C-N 3.34Å; V112-K114 PolarHBondContact O-N 3.48Å; V112-V115 PolarHBondContact O-N 3.06Å; V112-Y116 HydrophobicContact CB-CD2 4.49Å; V112-Y116 HydrophobicContact CG1-CD2 3.82Å; V112-Y116 HydrophobicContact CG1-CE2 4.28Å; V112-Y116 WeakPolarHBondContact O-CB 3.3Å; V112-Y116 WeakPolarHBondContact O-CD2 3.46Å; V112-Y116 PolarHBondContact O-N 3.05Å; V112-M120 HydrophobicContact CG1-CE 3.81Å; V112-M120 HydrophobicContact CG1-SD 3.76Å; V112-L134 HydrophobicContact CG2-CD1 3.89Å
113F96.3Very high95.4Very high21 Ų2162 Ų629%0.09228%0.281CS..Hα-helixtrans-62.5-39.5175.8-80.4-85.1000113.1I53 L59 T109 L110 H111 R117 M120 L131I53-F113 HydrophobicContact CD1-CB 3.48Å; I53-F113 VanDerWaalsContact CD1-CB 3.48Å; I53-F113 HydrophobicContact CD1-CD1 3.63Å; I53-F113 HydrophobicContact CD1-CD2 4Å; I53-F113 HydrophobicContact CD1-CE1 4.31Å; I53-F113 HydrophobicContact CD1-CG 3.44Å; I53-F113 VanDerWaalsContact CD1-CG 3.44Å; I53-F113 HydrophobicContact CG1-CB 4.43Å; I53-F113 HydrophobicContact CG1-CD1 3.67Å; I53-F113 HydrophobicContact CG1-CD2 4.24Å; I53-F113 HydrophobicContact CG1-CE1 3.85Å; I53-F113 HydrophobicContact CG1-CE2 4.42Å; I53-F113 HydrophobicContact CG1-CG 3.88Å; I53-F113 HydrophobicContact CG1-CZ 4.23Å; I53-F113 HydrophobicContact CG2-CD2 3.79Å; I53-F113 HydrophobicContact CG2-CE1 4.46Å; I53-F113 HydrophobicContact CG2-CE2 3.64Å; I53-F113 HydrophobicContact CG2-CG 4.3Å; I53-F113 HydrophobicContact CG2-CZ 3.99Å; L59-F113 HydrophobicContact CD1-CE1 3.8Å; L59-F113 HydrophobicContact CD1-CZ 3.86Å; L59-F113 HydrophobicContact CD2-CE1 3.86Å; L59-F113 HydrophobicContact CD2-CZ 4.4Å; L59-F113 HydrophobicContact CG-CE1 4.43Å; T109-F113 HydrophobicContact CG2-CD2 4.31Å; T109-F113 HydrophobicContact CG2-CE2 4.08Å; T109-F113 VanDerWaalsContact O-CD2 3.3Å; T109-F113 WeakPolarHBondContact O-CD2 3.46Å; T109-F113 PolarHBondContact O-N 3.46Å; L110-F113 PolarHBondContact O-N 3.2Å; H111-F113 VanDerWaalsContact C-N 3.3Å; H111-F113 PolarHBondContact O-N 2.84Å; F113-R117 WeakPolarHBondContact O-CA 3.45Å; F113-R117 PolarHBondContact O-N 2.98Å; F113-M120 HydrophobicContact CD1-CB 4.3Å; F113-M120 HydrophobicContact CD1-CE 3.92Å; F113-M120 HydrophobicContact CD1-CG 3.86Å; F113-M120 HydrophobicContact CD2-CE 4.25Å; F113-M120 HydrophobicContact CE1-CB 4.31Å; F113-M120 HydrophobicContact CE1-CE 3.74Å; F113-M120 HydrophobicContact CE1-CG 4.27Å; F113-M120 HydrophobicContact CE2-CE 4.07Å; F113-M120 HydrophobicContact CG-CE 4.18Å; F113-M120 HydrophobicContact CG-CG 4.49Å; F113-M120 HydrophobicContact CZ-CE 3.82Å; F113-L131 HydrophobicContact CE2-CD1 4.38Å; F113-L131 HydrophobicContact CE2-CD2 3.62Å; F113-L131 HydrophobicContact CZ-CD2 3.5Å; F113-L131 VanDerWaalsContact CZ-CD2 3.5Å
114K96.1Very high95Very high156 Ų15668.2 Ų68.268%0.67831%0.308SS*.Hα-helixtrans-65.9-37.9178.5-175179.8177.4-178.10112.8L110 H111 V112 R117L110-K114 PolarHBondContact O-N 3.49Å; L110-K114 VanDerWaalsContact O-N 3.1Å; H111-K114 WeakPolarHBondContact O-CA 3.31Å; H111-K114 WeakPolarHBondContact O-CB 3.41Å; H111-K114 PolarHBondContact O-N 3.11Å; V112-K114 VanDerWaalsContact C-N 3.34Å; V112-K114 PolarHBondContact O-N 3.48Å; K114-R117 VanDerWaalsContact O-CG 3.29Å; K114-R117 WeakPolarHBondContact O-CG 3.33Å; K114-R117 PolarHBondContact O-NE 2.94Å
115V94.5Very high94.7Very high77 Ų7765.3 Ų65.347%0.46730%0.298SS..Hα-helixtrans-78-51.2-178.21720000111.4H111 V112H111-V115 VanDerWaalsContact NE2-CG2 3.35Å; H111-V115 WeakPolarHBondContact NE2-CG2 3.36Å; H111-V115 WeakPolarHBondContact O-CG2 3.26Å; H111-V115 PolarHBondContact O-N 3.15Å; V112-V115 PolarHBondContact O-N 3.06Å
116Y95Very high94.3Very high60 Ų6066.7 Ų66.724%0.23531%0.309CS..Hα-helixtrans-85.2-22.9-172.8-69.5-72.8000113.6V112 E118 Q119 M120 S126V112-Y116 HydrophobicContact CB-CD2 4.49Å; V112-Y116 HydrophobicContact CG1-CD2 3.82Å; V112-Y116 HydrophobicContact CG1-CE2 4.28Å; V112-Y116 WeakPolarHBondContact O-CB 3.3Å; V112-Y116 WeakPolarHBondContact O-CD2 3.46Å; V112-Y116 PolarHBondContact O-N 3.05Å; Y116-E118 PolarHBondContact O-N 3.03Å; Y116-Q119 VanDerWaalsContact O-CB 3.27Å; Y116-Q119 WeakPolarHBondContact O-CB 3.45Å; Y116-Q119 WeakPolarHBondContact O-CG 3.5Å; Y116-Q119 PolarHBondContact O-N 3.4Å; Y116-M120 HydrophobicContact CD2-SD 4.47Å; Y116-M120 HydrophobicContact CG-SD 4.43Å; Y116-S126 WeakPolarHBondContact CE1-OG 3.26Å
117R94.3Very high94Very high177 Ų17766.7 Ų66.767%0.66831%0.309SS*.G310 helixtrans48.1-119.5175.2-55.8-176.4-178.2179.1-0.5112.1F113 K114 Q119 M120F113-R117 WeakPolarHBondContact O-CA 3.45Å; F113-R117 PolarHBondContact O-N 2.98Å; K114-R117 VanDerWaalsContact O-CG 3.29Å; K114-R117 WeakPolarHBondContact O-CG 3.33Å; K114-R117 PolarHBondContact O-NE 2.94Å; R117-Q119 PolarHBondContact O-N 3.24Å; R117-M120 VanDerWaalsContact O-CB 3.23Å; R117-M120 WeakPolarHBondContact O-CB 3.43Å; R117-M120 VanDerWaalsContact O-CG 3.22Å; R117-M120 WeakPolarHBondContact O-CG 3.45Å; R117-M120 PolarHBondContact O-N 3.15Å
118E94.3Very high93.7Very high127 Ų12762 Ų6259%0.59329%0.289SS*.G310 helixtrans-60.5-25.4-179.5-60.4-58.5121.700113.5Y116 M120 Y121Y116-E118 PolarHBondContact O-N 3.03Å; E118-M120 PolarHBondContact O-N 2.96Å; E118-M120 VanDerWaalsContact O-N 3.13Å; E118-Y121 HydrophobicContact CB-CD2 4.42Å; E118-Y121 WeakPolarHBondContact O-CB 3.35Å; E118-Y121 VanDerWaalsContact O-CD2 3.27Å; E118-Y121 WeakPolarHBondContact O-CD2 3.24Å; E118-Y121 PolarHBondContact O-N 2.97Å; E118-Y121 VanDerWaalsContact O-N 3.1Å; E118-Y121 WeakPolarHBondContact OE2-CD2 3.3Å; E118-Y121 WeakPolarHBondContact OE2-CE2 3.38Å
119Q94Very high93.2Very high102 Ų10268.9 Ų68.948%0.47731%0.313SS..G310 helixtrans-63.6-19.6176.1-59.7179.233.600112Y116 R117 Y121 D122 S125Y116-Q119 VanDerWaalsContact O-CB 3.27Å; Y116-Q119 WeakPolarHBondContact O-CB 3.45Å; Y116-Q119 WeakPolarHBondContact O-CG 3.5Å; Y116-Q119 PolarHBondContact O-N 3.4Å; R117-Q119 PolarHBondContact O-N 3.24Å; Q119-Y121 PolarHBondContact O-N 2.89Å; Q119-D122 PolarHBondContact O-N 3.16Å; Q119-D122 VanDerWaalsContact O-N 3.13Å; Q119-S125 WeakPolarHBondContact O-CB 3.18Å; Q119-S125 PolarHBondContact O-OG 3.37Å
120M94.9Very high92.9Very high1 Ų170.1 Ų70.11%0.00532%0.322CS..G310 helixtrans-61.6-21.5175.6-65-59.4-67.700113.1L59 V112 F113 Y116 R117 E118 G127 L131L59-M120 HydrophobicContact CD2-CB 3.83Å; L59-M120 WeakPolarHBondContact CD2-O 3.39Å; V112-M120 HydrophobicContact CG1-CE 3.81Å; V112-M120 HydrophobicContact CG1-SD 3.76Å; F113-M120 HydrophobicContact CD1-CB 4.3Å; F113-M120 HydrophobicContact CD1-CE 3.92Å; F113-M120 HydrophobicContact CD1-CG 3.86Å; F113-M120 HydrophobicContact CD2-CE 4.25Å; F113-M120 HydrophobicContact CE1-CB 4.31Å; F113-M120 HydrophobicContact CE1-CE 3.74Å; F113-M120 HydrophobicContact CE1-CG 4.27Å; F113-M120 HydrophobicContact CE2-CE 4.07Å; F113-M120 HydrophobicContact CG-CE 4.18Å; F113-M120 HydrophobicContact CG-CG 4.49Å; F113-M120 HydrophobicContact CZ-CE 3.82Å; Y116-M120 HydrophobicContact CD2-SD 4.47Å; Y116-M120 HydrophobicContact CG-SD 4.43Å; R117-M120 VanDerWaalsContact O-CB 3.23Å; R117-M120 WeakPolarHBondContact O-CB 3.43Å; R117-M120 VanDerWaalsContact O-CG 3.22Å; R117-M120 WeakPolarHBondContact O-CG 3.45Å; R117-M120 PolarHBondContact O-N 3.15Å; E118-M120 PolarHBondContact O-N 2.96Å; E118-M120 VanDerWaalsContact O-N 3.13Å; M120-G127 VanDerWaalsContact SD-C 3.54Å; M120-L131 HydrophobicContact CE-CB 3.96Å; M120-L131 HydrophobicContact CE-CD2 3.95Å
121Y94Very high92.7Very high70 Ų7068.1 Ų68.128%0.27531%0.311SS..G310 helixtrans-85.1-12.9178.9-51.7-47.8000113.7H56 K58 L59 E118 Q119H56-Y121 AromaticContact CE1-CE1 3.89Å; H56-Y121 AromaticContact CE1-CZ 3.95Å; H56-Y121 AromaticContact ND1-CE1 3.58Å; K58-Y121 HydrophobicContact CB-CD1 3.36Å; K58-Y121 HydrophobicContact CB-CE1 3.6Å; K58-Y121 HydrophobicContact CB-CG 3.87Å; K58-Y121 HydrophobicContact CD-CD1 4.49Å; K58-Y121 HydrophobicContact CD-CD2 4.3Å; K58-Y121 HydrophobicContact CD-CE1 4.41Å; K58-Y121 HydrophobicContact CD-CE2 4.21Å; K58-Y121 HydrophobicContact CD-CG 4.44Å; L59-Y121 HydrophobicContact CD2-CD1 3.95Å; L59-Y121 HydrophobicContact CD2-CE1 4.13Å; L59-Y121 HydrophobicContact CG-CD1 4.33Å; L59-Y121 HydrophobicContact CG-CE1 4.31Å; E118-Y121 HydrophobicContact CB-CD2 4.42Å; E118-Y121 WeakPolarHBondContact O-CB 3.35Å; E118-Y121 VanDerWaalsContact O-CD2 3.27Å; E118-Y121 WeakPolarHBondContact O-CD2 3.24Å; E118-Y121 PolarHBondContact O-N 2.97Å; E118-Y121 VanDerWaalsContact O-N 3.1Å; E118-Y121 WeakPolarHBondContact OE2-CD2 3.3Å; E118-Y121 WeakPolarHBondContact OE2-CE2 3.38Å; Q119-Y121 PolarHBondContact O-N 2.89Å
122D92.4Very high92.4Very high80 Ų8066.1 Ų66.143%0.42830%0.304SS..SBendtrans-86.3118.5170.2169.721000109.9Q119 F124 S125 R128Q119-D122 PolarHBondContact O-N 3.16Å; Q119-D122 VanDerWaalsContact O-N 3.13Å; D122-F124 PolarHBondContact O-N 3.3Å; D122-F124 VanDerWaalsContact O-N 3.08Å; D122-F124 PolarHBondContact OD1-N 2.86Å; D122-S125 PolarHBondContact O-N 3.25Å; D122-S125 VanDerWaalsContact O-N 3.15Å; D122-S125 PolarHBondContact O-OG 3.18Å; D122-S125 PolarHBondContact OD2-N 2.96Å; D122-R128 VanDerWaalsContact O-CB 3.31Å; D122-R128 WeakPolarHBondContact O-CB 3.43Å
123E88Confident92.1Very high75 Ų7567.6 Ų67.635%0.3531%0.309SS..THydrogen-bonded Turntrans-56.7-26.5-179.2-165-179.5149.700112K62 R128 R259K62-E123 IonicContact NZ-OE1 3Å; K62-E123 PolarHBondContact NZ-OE1 2.91Å; K62-E123 IonicContact NZ-OE2 2.6Å; K62-E123 PolarHBondContact NZ-OE2 2.67Å; E123-R128 WeakPolarHBondContact O-CG 3.43Å; E123-R259 IonicContact OE1-CZ 3.67Å; E123-R259 IonicContact OE1-NH1 2.73Å; E123-R259 PolarHBondContact OE1-NH1 3.03Å; E123-R259 VanDerWaalsContact OE1-NH1 3.1Å; E123-R259 IonicContact OE1-NH2 3.94Å; E123-R259 PolarHBondContact OE1-NH2 3.3Å
124F87Confident92Very high140 Ų14067.4 Ų67.461%0.61431%0.309SS*.THydrogen-bonded Turntrans-100.4-1.1-174-56.8-78.6000114.1D122 R259D122-F124 PolarHBondContact O-N 3.3Å; D122-F124 VanDerWaalsContact O-N 3.08Å; D122-F124 PolarHBondContact OD1-N 2.86Å; F124-R259 VanDerWaalsContact CE1-NH1 3.33Å
125S91.4Very high91.9Very high8 Ų860.1 Ų60.16%0.05628%0.278CS..SBendtrans-66.8160.3-177.378.30000112.5Q119 D122 G127 R128 R129Q119-S125 WeakPolarHBondContact O-CB 3.18Å; Q119-S125 PolarHBondContact O-OG 3.37Å; D122-S125 PolarHBondContact O-N 3.25Å; D122-S125 VanDerWaalsContact O-N 3.15Å; D122-S125 PolarHBondContact O-OG 3.18Å; D122-S125 PolarHBondContact OD2-N 2.96Å; S125-G127 VanDerWaalsContact C-N 3.26Å; S125-G127 PolarHBondContact O-N 3.43Å; S125-G127 PolarHBondContact OG-N 3.48Å; S125-R128 PolarHBondContact O-N 3.11Å; S125-R128 WeakPolarHBondContact OG-CB 3.44Å; S125-R128 PolarHBondContact OG-N 2.98Å; S125-R129 WeakPolarHBondContact O-CG 3.37Å; S125-R129 PolarHBondContact O-N 2.9Å; S125-R129 VanDerWaalsContact O-N 3.14Å; S125-R129 PolarHBondContact O-NE 3.24Å
126S89.5Confident91.8Very high41 Ų4157.3 Ų57.329%0.28726%0.26SS..Hα-helixtrans-60.3-36.9168.7430000112.1Y116 R129 S130Y116-S126 WeakPolarHBondContact CE1-OG 3.26Å; S126-R129 PolarHBondContact O-N 3.18Å; S126-S130 PolarHBondContact O-N 2.88Å; S126-S130 PolarHBondContact O-OG 3.1Å; S126-S130 VanDerWaalsContact O-OG 3.1Å
127G91.8Very high91.8Very high0 Ų055.1 Ų55.10%025%0.252CS..Hα-helixtrans-63.6-42.6178.600000112.7M120 S125 S130 L131M120-G127 VanDerWaalsContact SD-C 3.54Å; S125-G127 VanDerWaalsContact C-N 3.26Å; S125-G127 PolarHBondContact O-N 3.43Å; S125-G127 PolarHBondContact OG-N 3.48Å; G127-S130 PolarHBondContact O-N 3.3Å; G127-L131 PolarHBondContact O-N 2.76Å
128R91.5Very high92Very high10 Ų1046.7 Ų46.74%0.03822%0.22CC..Hα-helixtrans-65.1-41.8176-168.464.2-107.4153.9-7.7112.5L61 D122 E123 S125 S130 L131 N132L61-R128 VanDerWaalsContact CD2-NH2 3.32Å; D122-R128 VanDerWaalsContact O-CB 3.31Å; D122-R128 WeakPolarHBondContact O-CB 3.43Å; E123-R128 WeakPolarHBondContact O-CG 3.43Å; S125-R128 PolarHBondContact O-N 3.11Å; S125-R128 WeakPolarHBondContact OG-CB 3.44Å; S125-R128 PolarHBondContact OG-N 2.98Å; R128-S130 PolarHBondContact O-N 2.84Å; R128-L131 VanDerWaalsContact CZ-CD2 3.41Å; R128-L131 PolarHBondContact O-N 3.47Å; R128-N132 PolarHBondContact NE-OD1 3.49Å; R128-N132 PolarHBondContact NH2-OD1 2.83Å; R128-N132 PolarHBondContact O-N 3.16Å; R128-N132 PolarHBondContact O-OD1 3.11Å
129R87.1Confident92Very high152 Ų15241.7 Ų41.757%0.57420%0.2SC*.Hα-helixtrans-61-41.9172.6-73.7-176.8-73.6171.2-2112.2S125 S126 N132 K133S125-R129 WeakPolarHBondContact O-CG 3.37Å; S125-R129 PolarHBondContact O-N 2.9Å; S125-R129 VanDerWaalsContact O-N 3.14Å; S125-R129 PolarHBondContact O-NE 3.24Å; S126-R129 PolarHBondContact O-N 3.18Å; R129-N132 PolarHBondContact O-N 3.46Å; R129-K133 WeakPolarHBondContact O-CG 3.43Å; R129-K133 PolarHBondContact O-N 2.6Å
130S90.9Very high92.1Very high27 Ų2737.6 Ų37.619%0.18918%0.18CC..Hα-helixtrans-63.1-41.3175.5-650000112.1S126 G127 R128 K133 L134S126-S130 PolarHBondContact O-N 2.88Å; S126-S130 PolarHBondContact O-OG 3.1Å; S126-S130 VanDerWaalsContact O-OG 3.1Å; G127-S130 PolarHBondContact O-N 3.3Å; R128-S130 PolarHBondContact O-N 2.84Å; S130-K133 PolarHBondContact O-N 3Å; S130-L134 PolarHBondContact O-N 3.24Å
131L93.2Very high92.3Very high0 Ų037.7 Ų37.70%018%0.181CC..Hα-helixtrans-67.9-37175.4-175.754.9000112.6I68 T109 F113 M120 G127 R128 K133 L134 S135I68-L131 HydrophobicContact CD1-CD1 4.05Å; T109-L131 HydrophobicContact CG2-CD1 3.59Å; F113-L131 HydrophobicContact CE2-CD1 4.38Å; F113-L131 HydrophobicContact CE2-CD2 3.62Å; F113-L131 HydrophobicContact CZ-CD2 3.5Å; F113-L131 VanDerWaalsContact CZ-CD2 3.5Å; M120-L131 HydrophobicContact CE-CB 3.96Å; M120-L131 HydrophobicContact CE-CD2 3.95Å; G127-L131 PolarHBondContact O-N 2.76Å; R128-L131 VanDerWaalsContact CZ-CD2 3.41Å; R128-L131 PolarHBondContact O-N 3.47Å; L131-K133 VanDerWaalsContact C-N 3.32Å; L131-K133 PolarHBondContact O-N 3.38Å; L131-L134 HydrophobicContact CD1-CB 4.44Å; L131-L134 PolarHBondContact O-N 2.87Å; L131-S135 WeakPolarHBondContact O-CB 3.4Å; L131-S135 PolarHBondContact O-N 3.32Å; L131-S135 PolarHBondContact O-OG 3.19Å
132N89.3Confident92.5Very high51 Ų5134.9 Ų34.927%0.27317%0.171SC..Hα-helixtrans-62.8-40.5174.7-69.2-0.3000111.3R128 R129 S135 L136R128-N132 PolarHBondContact NE-OD1 3.49Å; R128-N132 PolarHBondContact NH2-OD1 2.83Å; R128-N132 PolarHBondContact O-N 3.16Å; R128-N132 PolarHBondContact O-OD1 3.11Å; R129-N132 PolarHBondContact O-N 3.46Å; N132-S135 WeakPolarHBondContact O-CB 3.4Å; N132-S135 PolarHBondContact O-N 2.95Å; N132-L136 PolarHBondContact O-N 2.84Å
133K88Confident92.7Very high44 Ų4432.6 Ų32.619%0.19116%0.163CC..Hα-helixtrans-60.9-47.6173-71.7178.7178.8-172.50112.1E16 L20 R129 S130 L131 S135 L136 I137 F251E16-K133 PolarHBondContact O-NZ 3.47Å; L20-K133 HydrophobicContact CD2-CB 4.31Å; L20-K133 HydrophobicContact CD2-CD 4Å; R129-K133 WeakPolarHBondContact O-CG 3.43Å; R129-K133 PolarHBondContact O-N 2.6Å; S130-K133 PolarHBondContact O-N 3Å; L131-K133 VanDerWaalsContact C-N 3.32Å; L131-K133 PolarHBondContact O-N 3.38Å; K133-S135 VanDerWaalsContact C-N 3.31Å; K133-S135 PolarHBondContact O-N 2.87Å; K133-L136 WeakPolarHBondContact O-CB 3.38Å; K133-L136 PolarHBondContact O-N 2.88Å; K133-I137 WeakPolarHBondContact O-CG1 3.48Å; K133-I137 PolarHBondContact O-N 3.4Å; K133-F251 HydrophobicContact CG-CD1 4.47Å
134L94.4Very high93.2Very high18 Ų1829.2 Ų29.29%0.09415%0.147CC..Hα-helixtrans-62-38.9176.3-75.1163.4000112.1K105 V112 S130 L131 L136 I137 F138K105-L134 HydrophobicContact CD-CD2 4.12Å; V112-L134 HydrophobicContact CG2-CD1 3.89Å; S130-L134 PolarHBondContact O-N 3.24Å; L131-L134 HydrophobicContact CD1-CB 4.44Å; L131-L134 PolarHBondContact O-N 2.87Å; L134-L136 VanDerWaalsContact C-N 3.31Å; L134-L136 PolarHBondContact O-N 3.33Å; L134-I137 PolarHBondContact O-N 2.95Å; L134-F138 HydrophobicContact CB-CE2 4.46Å; L134-F138 WeakPolarHBondContact O-CD2 3.37Å; L134-F138 PolarHBondContact O-N 3.34Å
135S94.5Very high93.7Very high3 Ų322.5 Ų22.52%0.02112%0.117CC..Hα-helixtrans-61.2-40.3175.8-55.20000111.5L131 N132 K133 F138 S139L131-S135 WeakPolarHBondContact O-CB 3.4Å; L131-S135 PolarHBondContact O-N 3.32Å; L131-S135 PolarHBondContact O-OG 3.19Å; N132-S135 WeakPolarHBondContact O-CB 3.4Å; N132-S135 PolarHBondContact O-N 2.95Å; K133-S135 VanDerWaalsContact C-N 3.31Å; K133-S135 PolarHBondContact O-N 2.87Å; S135-F138 PolarHBondContact O-N 2.51Å; S135-S139 PolarHBondContact O-N 2.91Å
136L92Very high93.9Very high18 Ų1826.2 Ų26.29%0.09413%0.132CC..Hα-helixtrans-64.7-43.8174-172.466.2000111.8P66 N132 K133 L134 F138 S139 H140 F251 C277P66-L136 HydrophobicContact CB-CD1 4.29Å; P66-L136 HydrophobicContact CG-CB 3.95Å; P66-L136 HydrophobicContact CG-CD1 4Å; N132-L136 PolarHBondContact O-N 2.84Å; K133-L136 WeakPolarHBondContact O-CB 3.38Å; K133-L136 PolarHBondContact O-N 2.88Å; L134-L136 VanDerWaalsContact C-N 3.31Å; L134-L136 PolarHBondContact O-N 3.33Å; L136-F138 PolarHBondContact O-N 3.03Å; L136-S139 WeakPolarHBondContact O-CA 3.35Å; L136-S139 WeakPolarHBondContact O-CB 3.41Å; L136-S139 PolarHBondContact O-N 3.36Å; L136-S139 VanDerWaalsContact O-N 3.08Å; L136-H140 WeakPolarHBondContact CG-NE2 3.21Å; L136-H140 PolarHBondContact O-N 2.87Å; L136-F251 HydrophobicContact CD2-CD1 3.54Å; L136-F251 HydrophobicContact CD2-CE1 3.99Å; L136-C277 HydrophobicContact CD1-CB 4.37Å
137I95.2Very high94.2Very high13 Ų1325.3 Ų25.37%0.06713%0.127CC..Hα-helixtrans-60.1-46.3176.6-67.1167.5000110.8L20 K105 K133 L134 S139 H140 M141 C212L20-I137 HydrophobicContact CD2-CD1 4.26Å; K105-I137 HydrophobicContact CD-CG2 4.06Å; K105-I137 HydrophobicContact CG-CG2 4.24Å; K133-I137 WeakPolarHBondContact O-CG1 3.48Å; K133-I137 PolarHBondContact O-N 3.4Å; L134-I137 PolarHBondContact O-N 2.95Å; I137-S139 PolarHBondContact O-N 3.18Å; I137-H140 PolarHBondContact O-N 3.07Å; I137-H140 VanDerWaalsContact O-N 3.12Å; I137-M141 HydrophobicContact CG2-CG 4.31Å; I137-M141 HydrophobicContact CG2-SD 4.07Å; I137-M141 VanDerWaalsContact O-CG 3.29Å; I137-M141 WeakPolarHBondContact O-CG 3.43Å; I137-M141 PolarHBondContact O-N 2.97Å; I137-C212 HydrophobicContact CD1-CB 4.4Å
138F97.6Very high94.4Very high1 Ų125.3 Ų25.30%0.00413%0.127CC..Hα-helixtrans-58.8-38.2174-72.7-62.5000112I68 I71 L72 L102 K105 T109 L134 S135 L136 H140 M141 L142I68-F138 HydrophobicContact CD1-CD2 3.8Å; I68-F138 HydrophobicContact CD1-CE2 3.83Å; I68-F138 HydrophobicContact CG1-CD2 4.22Å; I71-F138 HydrophobicContact CG2-CB 3.77Å; L72-F138 HydrophobicContact CD2-CD1 3.8Å; L72-F138 HydrophobicContact CD2-CE1 3.96Å; L72-F138 HydrophobicContact CD2-CG 4.15Å; L72-F138 HydrophobicContact CD2-CZ 4.42Å; L102-F138 HydrophobicContact CD1-CD1 3.91Å; L102-F138 HydrophobicContact CD1-CE1 3.75Å; K105-F138 HydrophobicContact CB-CD1 4.44Å; K105-F138 HydrophobicContact CB-CE1 3.67Å; K105-F138 HydrophobicContact CB-CZ 3.78Å; T109-F138 WeakPolarHBondContact OG1-CE2 3.13Å; L134-F138 HydrophobicContact CB-CE2 4.46Å; L134-F138 WeakPolarHBondContact O-CD2 3.37Å; L134-F138 PolarHBondContact O-N 3.34Å; S135-F138 PolarHBondContact O-N 2.51Å; L136-F138 PolarHBondContact O-N 3.03Å; F138-H140 VanDerWaalsContact C-N 3.34Å; F138-H140 PolarHBondContact O-N 3.36Å; F138-M141 PolarHBondContact O-N 2.85Å; F138-L142 WeakPolarHBondContact O-CB 3.25Å; F138-L142 PolarHBondContact O-N 3.07Å
139S96.1Very high94.6Very high22 Ų2224.8 Ų24.815%0.15413%0.126CC..Hα-helixtrans-61.6-42.5175.3-164.90000112S135 L136 I137 A143S135-S139 PolarHBondContact O-N 2.91Å; L136-S139 WeakPolarHBondContact O-CA 3.35Å; L136-S139 WeakPolarHBondContact O-CB 3.41Å; L136-S139 PolarHBondContact O-N 3.36Å; L136-S139 VanDerWaalsContact O-N 3.08Å; I137-S139 PolarHBondContact O-N 3.18Å; S139-A143 WeakPolarHBondContact O-CB 3.49Å; S139-A143 PolarHBondContact O-N 3.03Å; S139-A143 VanDerWaalsContact O-N 3.08Å
140H96Very high95Very high15 Ų1519.8 Ų19.87%0.06911%0.113CC..Hα-helixtrans-66.8-44.8177.2-63.7-23.6000111.5L136 I137 F138 L142 A143 E144 L210 L280L136-H140 WeakPolarHBondContact CG-NE2 3.21Å; L136-H140 PolarHBondContact O-N 2.87Å; I137-H140 PolarHBondContact O-N 3.07Å; I137-H140 VanDerWaalsContact O-N 3.12Å; F138-H140 VanDerWaalsContact C-N 3.34Å; F138-H140 PolarHBondContact O-N 3.36Å; H140-L142 VanDerWaalsContact C-N 3.34Å; H140-L142 PolarHBondContact O-N 3.5Å; H140-A143 PolarHBondContact O-N 3.08Å; H140-E144 WeakPolarHBondContact O-CB 3.26Å; H140-E144 PolarHBondContact O-N 3.15Å; H140-L210 HydrophobicContact CB-CB 4.06Å; H140-L280 WeakPolarHBondContact CE1-CD2 3.2Å; H140-L280 VanDerWaalsContact ND1-CD2 3.33Å; H140-L280 WeakPolarHBondContact ND1-CD2 3.23Å
141M98.1Very high95Very high3 Ų324.7 Ų24.72%0.01514%0.137CC..Hα-helixtrans-57.2-46.4175-70.3-179.366.900111.7F98 N101 L102 K105 I137 F138 A143 E144 L145 T211F98-M141 HydrophobicContact CD2-CE 4.25Å; F98-M141 HydrophobicContact CE2-CB 3.88Å; F98-M141 HydrophobicContact CE2-CE 3.93Å; F98-M141 WeakPolarHBondContact CE2-O 3.31Å; F98-M141 HydrophobicContact CZ-CB 4.5Å; F98-M141 HydrophobicContact CZ-CE 4.25Å; N101-M141 HydrophobicContact CB-CE 4.12Å; L102-M141 HydrophobicContact CB-CE 3.76Å; L102-M141 HydrophobicContact CD1-CE 4.22Å; K105-M141 HydrophobicContact CG-SD 4.03Å; I137-M141 HydrophobicContact CG2-CG 4.31Å; I137-M141 HydrophobicContact CG2-SD 4.07Å; I137-M141 VanDerWaalsContact O-CG 3.29Å; I137-M141 WeakPolarHBondContact O-CG 3.43Å; I137-M141 PolarHBondContact O-N 2.97Å; F138-M141 PolarHBondContact O-N 2.85Å; M141-A143 PolarHBondContact O-N 3.31Å; M141-E144 PolarHBondContact O-N 2.91Å; M141-L145 WeakPolarHBondContact O-CB 3.38Å; M141-L145 PolarHBondContact O-N 2.94Å; M141-T211 HydrophobicContact CG-CG2 3.76Å
142L98.1Very high95Very high12 Ų1224.7 Ų24.76%0.06314%0.137CC..Hα-helixtrans-62.2-43.6177.2176.257.9000112.3I71 D74 F138 H140 E144 L145 K146I71-L142 HydrophobicContact CG2-CB 4.25Å; I71-L142 HydrophobicContact CG2-CD2 4.04Å; D74-L142 HydrophobicContact CB-CD1 4.44Å; D74-L142 HydrophobicContact CB-CD2 3.6Å; F138-L142 WeakPolarHBondContact O-CB 3.25Å; F138-L142 PolarHBondContact O-N 3.07Å; H140-L142 VanDerWaalsContact C-N 3.34Å; H140-L142 PolarHBondContact O-N 3.5Å; L142-E144 VanDerWaalsContact C-N 3.35Å; L142-L145 PolarHBondContact O-N 2.73Å; L142-K146 HydrophobicContact CD1-CD 4.13Å; L142-K146 HydrophobicContact CD1-CG 4.16Å; L142-K146 HydrophobicContact CG-CD 4.29Å; L142-K146 WeakPolarHBondContact O-CB 3.3Å; L142-K146 WeakPolarHBondContact O-CG 3.49Å; L142-K146 PolarHBondContact O-N 3.1Å
143A97.2Very high95.2Very high32 Ų3227.7 Ų27.726%0.26415%0.149SC..Hα-helixtrans-64.7-41.5179.800000111.7S139 H140 M141 A147 F219 L280S139-A143 WeakPolarHBondContact O-CB 3.49Å; S139-A143 PolarHBondContact O-N 3.03Å; S139-A143 VanDerWaalsContact O-N 3.08Å; H140-A143 PolarHBondContact O-N 3.08Å; M141-A143 PolarHBondContact O-N 3.31Å; A143-A147 WeakPolarHBondContact O-CB 3.34Å; A143-A147 PolarHBondContact O-N 3.44Å; A143-A147 VanDerWaalsContact O-N 3.07Å; A143-F219 HydrophobicContact CB-CZ 4.07Å; A143-L280 HydrophobicContact CB-CD1 3.43Å; A143-L280 VanDerWaalsContact CB-CD1 3.43Å
144E97.5Very high95.5Very high3 Ų328 Ų281%0.01415%0.151CC..Hα-helixtrans-62.7-48.2173.9-172.1-174.279.800111.4Y94 H140 M141 L142 K146 A147 E148 S217 F219Y94-E144 HydrophobicContact CE2-CG 4.09Å; Y94-E144 WeakPolarHBondContact CE2-OE1 3.18Å; Y94-E144 VanDerWaalsContact OH-CG 3.29Å; Y94-E144 WeakPolarHBondContact OH-CG 3.37Å; Y94-E144 PolarHBondContact OH-OE1 3.27Å; H140-E144 WeakPolarHBondContact O-CB 3.26Å; H140-E144 PolarHBondContact O-N 3.15Å; M141-E144 PolarHBondContact O-N 2.91Å; L142-E144 VanDerWaalsContact C-N 3.35Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 3.11Å; E144-A147 CarbonylContact O-C 3.48Å; E144-A147 WeakPolarHBondContact O-CA 3.38Å; E144-A147 WeakPolarHBondContact O-CB 3.48Å; E144-A147 PolarHBondContact O-N 3.11Å; E144-E148 PolarHBondContact O-N 3.44Å; E144-S217 WeakPolarHBondContact OE2-CB 3.25Å; E144-S217 PolarHBondContact OE2-OG 3.48Å; E144-F219 HydrophobicContact CB-CD1 3.58Å; E144-F219 HydrophobicContact CB-CE1 3.74Å; E144-F219 HydrophobicContact CB-CG 4.17Å; E144-F219 HydrophobicContact CB-CZ 4.44Å; E144-F219 HydrophobicContact CG-CB 3.98Å; E144-F219 HydrophobicContact CG-CD1 3.57Å; E144-F219 HydrophobicContact CG-CE1 4.26Å; E144-F219 HydrophobicContact CG-CG 3.88Å
145L97.5Very high95.4Very high0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-57.3-45.6178.4-175.672.7000111.6T75 L79 I82 Y94 F98 M141 L142 A147 E148 F149T75-L145 HydrophobicContact CG2-CD2 4.5Å; L79-L145 HydrophobicContact CD2-CD1 4.19Å; L79-L145 HydrophobicContact CD2-CD2 3.66Å; L79-L145 HydrophobicContact CG-CD2 3.79Å; I82-L145 HydrophobicContact CD1-CD1 3.74Å; I82-L145 HydrophobicContact CD1-CD2 4.22Å; I82-L145 HydrophobicContact CD1-CG 4.01Å; Y94-L145 HydrophobicContact CE1-CD1 4.27Å; F98-L145 HydrophobicContact CD1-CD1 3.97Å; F98-L145 HydrophobicContact CD2-CB 4.3Å; F98-L145 HydrophobicContact CD2-CD1 4.12Å; F98-L145 HydrophobicContact CE1-CD1 4.01Å; F98-L145 HydrophobicContact CE1-CD2 3.89Å; F98-L145 HydrophobicContact CE1-CG 4.41Å; F98-L145 HydrophobicContact CE2-CB 3.73Å; F98-L145 HydrophobicContact CE2-CD1 4.13Å; F98-L145 HydrophobicContact CE2-CD2 4.31Å; F98-L145 HydrophobicContact CE2-CG 4.26Å; F98-L145 HydrophobicContact CG-CD1 4.05Å; F98-L145 HydrophobicContact CZ-CB 3.97Å; F98-L145 HydrophobicContact CZ-CD1 4.09Å; F98-L145 HydrophobicContact CZ-CD2 3.68Å; F98-L145 HydrophobicContact CZ-CG 4.12Å; M141-L145 WeakPolarHBondContact O-CB 3.38Å; M141-L145 PolarHBondContact O-N 2.94Å; L142-L145 PolarHBondContact O-N 2.73Å; L145-A147 PolarHBondContact O-N 3.12Å; L145-E148 PolarHBondContact O-N 3.11Å; L145-F149 HydrophobicContact CD1-CD2 3.97Å; L145-F149 HydrophobicContact CD1-CE2 4.35Å; L145-F149 WeakPolarHBondContact O-CB 3.39Å; L145-F149 PolarHBondContact O-N 3.45Å
146K96.8Very high95.3Very high85 Ų8529 Ų2937%0.3716%0.156SC..Hα-helixtrans-64.2-28.5176.2-76.2178.8176.7175.40112.4D74 L142 E144D74-K146 IonicContact OD2-NZ 3.05Å; D74-K146 PolarHBondContact OD2-NZ 3.34Å; L142-K146 HydrophobicContact CD1-CD 4.13Å; L142-K146 HydrophobicContact CD1-CG 4.16Å; L142-K146 HydrophobicContact CG-CD 4.29Å; L142-K146 WeakPolarHBondContact O-CB 3.3Å; L142-K146 WeakPolarHBondContact O-CG 3.49Å; L142-K146 PolarHBondContact O-N 3.1Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 3.11Å
147A95.9Very high95.2Very high22 Ų2232.9 Ų32.918%0.18218%0.177CC..Hα-helixtrans-80.3-36.2178.700000112.6A143 E144 L145 I155 F159 F219A143-A147 WeakPolarHBondContact O-CB 3.34Å; A143-A147 PolarHBondContact O-N 3.44Å; A143-A147 VanDerWaalsContact O-N 3.07Å; E144-A147 CarbonylContact O-C 3.48Å; E144-A147 WeakPolarHBondContact O-CA 3.38Å; E144-A147 WeakPolarHBondContact O-CB 3.48Å; E144-A147 PolarHBondContact O-N 3.11Å; L145-A147 PolarHBondContact O-N 3.12Å; A147-I155 WeakPolarHBondContact O-CD1 3.35Å; A147-F159 HydrophobicContact CB-CE2 4.07Å; A147-F219 HydrophobicContact CB-CD2 3.52Å; A147-F219 HydrophobicContact CB-CE2 3.74Å; A147-F219 HydrophobicContact CB-CG 4.45Å
148E96Very high95.1Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-81.6-27.6176.5-71.9-59.812700113.1Y94 E144 L145 P150 F154 I155 F159 T178 N218Y94-E148 HydrophobicContact CD1-CB 4.3Å; Y94-E148 HydrophobicContact CD1-CG 4.47Å; Y94-E148 HydrophobicContact CD2-CG 4.29Å; Y94-E148 HydrophobicContact CE1-CB 3.87Å; Y94-E148 HydrophobicContact CE1-CG 4.08Å; Y94-E148 HydrophobicContact CE2-CG 3.9Å; E144-E148 PolarHBondContact O-N 3.44Å; L145-E148 PolarHBondContact O-N 3.11Å; E148-P150 VanDerWaalsContact C-CD 3.41Å; E148-F154 HydrophobicContact CB-CE2 4.36Å; E148-F154 WeakPolarHBondContact O-CA 3.42Å; E148-F154 WeakPolarHBondContact O-CD2 3.37Å; E148-I155 WeakPolarHBondContact O-CG1 3.43Å; E148-I155 PolarHBondContact O-N 3.46Å; E148-F159 VanDerWaalsContact OE1-CD2 3.26Å; E148-F159 WeakPolarHBondContact OE1-CD2 3.44Å; E148-T178 WeakPolarHBondContact OE2-CG2 3.33Å; E148-N218 PolarHBondContact OE1-ND2 2.9Å; E148-N218 PolarHBondContact OE1-OD1 2.68Å
149F96Very high95Very high0 Ų040.8 Ų40.80%021%0.207CC..SBendtrans-122.958.8176.8-67.1-99.1000112.9H78 I82 L89 Y94 F95 L145 N151 G152 Q153 F154H78-F149 PolarHBondContact CE1-O 2.89Å; H78-F149 PolarHBondContact NE2-O 2.71Å; I82-F149 HydrophobicContact CB-CD1 4.37Å; I82-F149 HydrophobicContact CD1-CB 3.59Å; I82-F149 HydrophobicContact CD1-CD1 3.89Å; I82-F149 HydrophobicContact CD1-CD2 3.92Å; I82-F149 HydrophobicContact CD1-CG 3.54Å; I82-F149 HydrophobicContact CG1-CB 3.78Å; I82-F149 HydrophobicContact CG1-CD1 3.8Å; I82-F149 HydrophobicContact CG1-CG 3.87Å; I82-F149 HydrophobicContact CG2-CD1 3.61Å; I82-F149 HydrophobicContact CG2-CE1 3.61Å; I82-F149 HydrophobicContact CG2-CG 4.38Å; I82-F149 HydrophobicContact CG2-CZ 4.4Å; L89-F149 HydrophobicContact CD1-CE1 3.82Å; L89-F149 HydrophobicContact CD1-CZ 4.06Å; Y94-F149 HydrophobicContact CD1-CD2 4.49Å; Y94-F149 AromaticContact CD1-CE2 3.64Å; Y94-F149 HydrophobicContact CD1-CE2 3.64Å; Y94-F149 HydrophobicContact CD1-CZ 4.48Å; Y94-F149 HydrophobicContact CE1-CD2 4.23Å; Y94-F149 AromaticContact CE1-CE2 3.75Å; Y94-F149 HydrophobicContact CE1-CE2 3.75Å; F95-F149 HydrophobicContact CB-CZ 4.21Å; F95-F149 HydrophobicContact CD2-CE2 4.32Å; F95-F149 HydrophobicContact CD2-CZ 4.13Å; L145-F149 HydrophobicContact CD1-CD2 3.97Å; L145-F149 HydrophobicContact CD1-CE2 4.35Å; L145-F149 WeakPolarHBondContact O-CB 3.39Å; L145-F149 PolarHBondContact O-N 3.45Å; F149-N151 PolarHBondContact O-N 2.88Å; F149-N151 VanDerWaalsContact O-N 3.12Å; F149-G152 PolarHBondContact O-N 3.19Å; F149-Q153 CarbonylContact C-O 3.5Å; F149-Q153 VanDerWaalsContact CA-O 3.26Å; F149-Q153 WeakPolarHBondContact CA-O 3.43Å; F149-F154 HydrophobicContact CD1-CB 3.88Å; F149-F154 HydrophobicContact CD1-CD2 4.32Å; F149-F154 HydrophobicContact CD2-CD2 4.13Å; F149-F154 HydrophobicContact CE1-CB 3.49Å; F149-F154 VanDerWaalsContact CE1-CB 3.49Å; F149-F154 AromaticContact CE1-CD2 3.84Å; F149-F154 HydrophobicContact CE1-CD2 3.84Å; F149-F154 HydrophobicContact CE1-CG 4.01Å; F149-F154 AromaticContact CE2-CD2 3.6Å; F149-F154 HydrophobicContact CE2-CD2 3.6Å; F149-F154 HydrophobicContact CE2-CE2 4.17Å; F149-F154 HydrophobicContact CG-CD2 4.46Å; F149-F154 HydrophobicContact CZ-CB 3.98Å; F149-F154 AromaticContact CZ-CD2 3.43Å; F149-F154 HydrophobicContact CZ-CD2 3.43Å; F149-F154 VanDerWaalsContact CZ-CD2 3.43Å; F149-F154 HydrophobicContact CZ-CE2 4.22Å; F149-F154 AromaticContact CZ-CG 3.97Å; F149-F154 HydrophobicContact CZ-CG 3.97Å
150P94Very high95Very high47 Ų4747.1 Ų47.131%0.30523%0.227SC..G310 helixtrans-55.9126.1175.225.7-34000109.7E148 G152 Q153 I155E148-P150 VanDerWaalsContact C-CD 3.41Å; P150-G152 PolarHBondContact O-N 3.37Å; P150-G152 VanDerWaalsContact O-N 3.12Å; P150-Q153 WeakPolarHBondContact CD-O 3.46Å; P150-Q153 PolarHBondContact O-N 2.79Å; P150-I155 HydrophobicContact CG-CB 4.37Å; P150-I155 HydrophobicContact CG-CD1 4.25Å; P150-I155 HydrophobicContact CG-CG1 4.3Å; P150-I155 HydrophobicContact CG-CG2 3.3Å
151N92.2Very high95Very high130 Ų13047.2 Ų47.270%0.69523%0.228SC*.G310 helixtrans56.222.6-175.6-52.7-46.2000115.3L81 Q85 F149L81-N151 WeakPolarHBondContact CD2-O 3.46Å; Q85-N151 PolarHBondContact NE2-O 3.2Å; Q85-N151 PolarHBondContact OE1-O 3.12Å; Q85-N151 VanDerWaalsContact OE1-O 3.13Å; F149-N151 PolarHBondContact O-N 2.88Å; F149-N151 VanDerWaalsContact O-N 3.12Å
152G92.3Very high94.9Very high0 Ų047.3 Ų47.30%023%0.229CC..G310 helixtrans91.8-3.5178.400000115.3Q85 F149 P150Q85-G152 VanDerWaalsContact OE1-C 3.24Å; Q85-G152 PolarHBondContact OE1-O 2.82Å; F149-G152 PolarHBondContact O-N 3.19Å; P150-G152 PolarHBondContact O-N 3.37Å; P150-G152 VanDerWaalsContact O-N 3.12Å
153Q93Very high94.6Very high114 Ų11447.8 Ų47.853%0.53323%0.231SC..  trans-102.8128.8-176.7-63.4-174.8-14.200111F149 P150 I155F149-Q153 CarbonylContact C-O 3.5Å; F149-Q153 VanDerWaalsContact CA-O 3.26Å; F149-Q153 WeakPolarHBondContact CA-O 3.43Å; P150-Q153 WeakPolarHBondContact CD-O 3.46Å; P150-Q153 PolarHBondContact O-N 2.79Å; Q153-I155 PolarHBondContact O-N 3.43Å
154F94.2Very high94.4Very high50 Ų5051.4 Ų51.422%0.21924%0.24CC..  trans-66.2123.2178.8-170.7-125.4000111E86 N92 Y94 E148 F149 R158 T178E86-F154 PolarHBondContact OE1-N 3.46Å; N92-F154 WeakPolarHBondContact ND2-CD1 3.35Å; N92-F154 VanDerWaalsContact ND2-CE1 3.25Å; N92-F154 WeakPolarHBondContact ND2-CE1 3.3Å; N92-F154 VanDerWaalsContact ND2-CG 3.35Å; N92-F154 WeakPolarHBondContact ND2-CG 3.35Å; Y94-F154 HydrophobicContact CD1-CE2 4.34Å; Y94-F154 HydrophobicContact CG-CE2 4.44Å; E148-F154 HydrophobicContact CB-CE2 4.36Å; E148-F154 WeakPolarHBondContact O-CA 3.42Å; E148-F154 WeakPolarHBondContact O-CD2 3.37Å; F149-F154 HydrophobicContact CD1-CB 3.88Å; F149-F154 HydrophobicContact CD1-CD2 4.32Å; F149-F154 HydrophobicContact CD2-CD2 4.13Å; F149-F154 HydrophobicContact CE1-CB 3.49Å; F149-F154 VanDerWaalsContact CE1-CB 3.49Å; F149-F154 AromaticContact CE1-CD2 3.84Å; F149-F154 HydrophobicContact CE1-CD2 3.84Å; F149-F154 HydrophobicContact CE1-CG 4.01Å; F149-F154 AromaticContact CE2-CD2 3.6Å; F149-F154 HydrophobicContact CE2-CD2 3.6Å; F149-F154 HydrophobicContact CE2-CE2 4.17Å; F149-F154 HydrophobicContact CG-CD2 4.46Å; F149-F154 HydrophobicContact CZ-CB 3.98Å; F149-F154 AromaticContact CZ-CD2 3.43Å; F149-F154 HydrophobicContact CZ-CD2 3.43Å; F149-F154 VanDerWaalsContact CZ-CD2 3.43Å; F149-F154 HydrophobicContact CZ-CE2 4.22Å; F149-F154 AromaticContact CZ-CG 3.97Å; F149-F154 HydrophobicContact CZ-CG 3.97Å; F154-R158 PolarHBondContact O-NH2 2.79Å; F154-T178 HydrophobicContact CE2-CG2 4.41Å; F154-T178 HydrophobicContact CZ-CG2 3.81Å
155I93.8Very high94.3Very high36 Ų3655.4 Ų55.419%0.18526%0.262CS..  trans-91.8-25.1176.859.3165.3000113.7A147 E148 P150 Q153 D157 R158 F159A147-I155 WeakPolarHBondContact O-CD1 3.35Å; E148-I155 WeakPolarHBondContact O-CG1 3.43Å; E148-I155 PolarHBondContact O-N 3.46Å; P150-I155 HydrophobicContact CG-CB 4.37Å; P150-I155 HydrophobicContact CG-CD1 4.25Å; P150-I155 HydrophobicContact CG-CG1 4.3Å; P150-I155 HydrophobicContact CG-CG2 3.3Å; Q153-I155 PolarHBondContact O-N 3.43Å; I155-D157 PolarHBondContact O-N 3.33Å; I155-R158 HydrophobicContact CB-CB 4.23Å; I155-R158 VanDerWaalsContact O-CB 3.25Å; I155-R158 WeakPolarHBondContact O-CB 3.39Å; I155-R158 WeakPolarHBondContact O-CG 3.43Å; I155-R158 PolarHBondContact O-N 2.98Å; I155-R158 PolarHBondContact O-NE 2.85Å; I155-F159 HydrophobicContact CD1-CB 4Å; I155-F159 HydrophobicContact CD1-CD2 4.13Å; I155-F159 HydrophobicContact CG1-CB 4.47Å
156G91.2Very high94.2Very high5 Ų555.4 Ų55.45%0.05226%0.262CS..G310 helixtrans57.6-125.917300000113.2R158 F159 T178G156-R158 PolarHBondContact O-N 2.88Å; G156-R158 VanDerWaalsContact O-N 3.16Å; G156-F159 VanDerWaalsContact O-CB 3.31Å; G156-F159 WeakPolarHBondContact O-CB 3.09Å; G156-F159 PolarHBondContact O-N 3.16Å; G156-T178 VanDerWaalsContact CA-CG2 3.5Å
157D91Very high94.2Very high100 Ų10052.2 Ų52.254%0.53525%0.251SS..G310 helixtrans-62.2-16176.766.6-32.2000114.4I155 F159 N176I155-D157 PolarHBondContact O-N 3.33Å; D157-F159 PolarHBondContact O-N 3.37Å; D157-N176 HydrophobicContact CB-CB 3.78Å
158R93.7Very high94.2Very high161 Ų16155.4 Ų55.461%0.60826%0.263SS*.G310 helixtrans-75.7-8.3173.3-55.8-178.8-71-128.41.6113.1F154 I155 G156 R160F154-R158 PolarHBondContact O-NH2 2.79Å; I155-R158 HydrophobicContact CB-CB 4.23Å; I155-R158 VanDerWaalsContact O-CB 3.25Å; I155-R158 WeakPolarHBondContact O-CB 3.39Å; I155-R158 WeakPolarHBondContact O-CG 3.43Å; I155-R158 PolarHBondContact O-N 2.98Å; I155-R158 PolarHBondContact O-NE 2.85Å; G156-R158 PolarHBondContact O-N 2.88Å; G156-R158 VanDerWaalsContact O-N 3.16Å; R158-R160 PolarHBondContact O-N 3.32Å
159F95.6Very high94.3Very high20 Ų2055.7 Ų55.79%0.08826%0.264CS..  trans-57.4127.6172.1-178.6-85.3000110.5A147 E148 I155 G156 D157 I161 N218 F219 D222A147-F159 HydrophobicContact CB-CE2 4.07Å; E148-F159 VanDerWaalsContact OE1-CD2 3.26Å; E148-F159 WeakPolarHBondContact OE1-CD2 3.44Å; I155-F159 HydrophobicContact CD1-CB 4Å; I155-F159 HydrophobicContact CD1-CD2 4.13Å; I155-F159 HydrophobicContact CG1-CB 4.47Å; G156-F159 VanDerWaalsContact O-CB 3.31Å; G156-F159 WeakPolarHBondContact O-CB 3.09Å; G156-F159 PolarHBondContact O-N 3.16Å; D157-F159 PolarHBondContact O-N 3.37Å; F159-I161 HydrophobicContact CD1-CG1 4.11Å; F159-I161 HydrophobicContact CE1-CG1 3.93Å; F159-N218 VanDerWaalsContact CB-ND2 3.28Å; F159-N218 WeakPolarHBondContact CB-ND2 3.22Å; F159-N218 HydrophobicContact CD1-CB 3.99Å; F159-N218 HydrophobicContact CE1-CB 4.35Å; F159-N218 WeakPolarHBondContact CG-ND2 3.29Å; F159-F219 HydrophobicContact CE2-CB 4.01Å; F159-F219 AromaticContact CE2-CD2 3.98Å; F159-F219 HydrophobicContact CE2-CD2 3.98Å; F159-F219 HydrophobicContact CZ-CB 3.91Å; F159-F219 HydrophobicContact CZ-CD2 4.06Å; F159-F219 HydrophobicContact CZ-CG 4.48Å; F159-D222 HydrophobicContact CE1-CB 3.88Å; F159-D222 HydrophobicContact CZ-CB 4.07Å
160R94.3Very high94.4Very high154 Ų15456.2 Ų56.258%0.58127%0.266SS*.  trans-100.5104.4-178.4-65-171.3-179.1-172.50.8111.1R158 P375R158-R160 PolarHBondContact O-N 3.32Å; R160-P375 HydrophobicContact CB-CB 3.99Å; R160-P375 HydrophobicContact CB-CG 4.19Å
161I96.6Very high94.6Very high17 Ų1760.4 Ų60.49%0.08728%0.276CS..  trans-61.8133.9164.4-64.5166.2000108.7F159 A166 A167 W170 N218 F221 D222F159-I161 HydrophobicContact CD1-CG1 4.11Å; F159-I161 HydrophobicContact CE1-CG1 3.93Å; I161-A166 HydrophobicContact CG2-CB 3.83Å; I161-A167 HydrophobicContact CB-CB 3.87Å; I161-A167 HydrophobicContact CG2-CB 4.16Å; I161-W170 HydrophobicContact CD1-CB 3.48Å; I161-W170 VanDerWaalsContact CD1-CB 3.48Å; I161-W170 HydrophobicContact CD1-CD2 4.14Å; I161-W170 HydrophobicContact CD1-CG 3.61Å; I161-N218 HydrophobicContact CD1-CB 4.46Å; I161-F221 HydrophobicContact CD1-CD1 3.99Å; I161-F221 HydrophobicContact CD1-CE1 4.35Å; I161-D222 HydrophobicContact CB-CB 4.47Å; I161-D222 HydrophobicContact CG1-CB 4.23Å; I161-D222 HydrophobicContact CG2-CB 4.27Å
162T95.2Very high94.8Very high6 Ų662.4 Ų62.44%0.03727%0.273CS..SBendtrans-68.1-46.7-167.9-51.90000112.3D222 R226 E374 K405T162-D222 WeakPolarHBondContact CB-OD1 3.35Å; T162-D222 PolarHBondContact N-OD1 2.9Å; T162-D222 PolarHBondContact OG1-OD1 3.43Å; T162-R226 HydrophobicContact CG2-CG 4.11Å; T162-R226 PolarHBondContact OG1-NH1 2.96Å; T162-E374 HydrophobicContact CG2-CB 3.48Å; T162-E374 VanDerWaalsContact CG2-CB 3.48Å; T162-E374 HydrophobicContact CG2-CG 4.44Å; T162-K405 HydrophobicContact CG2-CB 3.86Å
163K93.6Very high95.1Very high22 Ų2264.6 Ų64.610%0.09629%0.288CS..SBendtrans-88.8127.3-177.4-61.3-51.1-164.31750110.1D165 A166 A167 E374K163-D165 PolarHBondContact O-N 2.91Å; K163-A166 HydrophobicContact CB-CB 4.03Å; K163-A166 WeakPolarHBondContact O-CB 3.41Å; K163-A166 PolarHBondContact O-N 3.21Å; K163-A167 PolarHBondContact O-N 3.06Å; K163-E374 WeakPolarHBondContact CD-OE1 3.41Å; K163-E374 WeakPolarHBondContact CD-OE2 3.46Å; K163-E374 WeakPolarHBondContact CE-OE2 3.33Å; K163-E374 IonicContact NZ-OE1 2.75Å; K163-E374 PolarHBondContact NZ-OE1 3.32Å; K163-E374 IonicContact NZ-OE2 3.63Å; K163-E374 PolarHBondContact NZ-OE2 3.02Å
164K92.6Very high95.3Very high107 Ų10759.7 Ų59.747%0.46527%0.265SS..Hα-helixtrans-56.6-50.1-176.2-176.4-177.3170.2-172.40112.5A166 A167 E168K164-A166 VanDerWaalsContact C-N 3.28Å; K164-A166 PolarHBondContact O-N 2.89Å; K164-A167 WeakPolarHBondContact O-CB 3.2Å; K164-A167 PolarHBondContact O-N 2.98Å; K164-A167 VanDerWaalsContact O-N 3.09Å; K164-E168 WeakPolarHBondContact CE-OE1 3.24Å; K164-E168 IonicContact NZ-OE1 3.41Å; K164-E168 WeakPolarHBondContact O-CG 3.38Å; K164-E168 PolarHBondContact O-N 2.88Å
165D94.3Very high95.4Very high87 Ų8762.5 Ų62.547%0.46528%0.283SS..Hα-helixtrans-61.2-38.8-179.2-54.9-66.2000112K163 E168 F169 W231K163-D165 PolarHBondContact O-N 2.91Å; D165-E168 PolarHBondContact O-N 2.96Å; D165-F169 WeakPolarHBondContact O-CB 3.46Å; D165-F169 PolarHBondContact O-N 2.83Å; D165-W231 HydrophobicContact CB-CB 3.85Å; D165-W231 HydrophobicContact CB-CD2 4.21Å; D165-W231 HydrophobicContact CB-CG 3.6Å
166A96.5Very high95.4Very high0 Ų066 Ų660%030%0.302CS..Hα-helixtrans-66-41.9175.200000111.5I161 K163 K164 E168 F169 W170 F221 T225 W231I161-A166 HydrophobicContact CG2-CB 3.83Å; K163-A166 HydrophobicContact CB-CB 4.03Å; K163-A166 WeakPolarHBondContact O-CB 3.41Å; K163-A166 PolarHBondContact O-N 3.21Å; K164-A166 VanDerWaalsContact C-N 3.28Å; K164-A166 PolarHBondContact O-N 2.89Å; A166-E168 VanDerWaalsContact C-N 3.33Å; A166-E168 PolarHBondContact O-N 2.83Å; A166-F169 PolarHBondContact O-N 2.97Å; A166-W170 PolarHBondContact O-N 2.58Å; A166-F221 HydrophobicContact CB-CE1 3.8Å; A166-F221 HydrophobicContact CB-CZ 3.98Å; A166-F221 WeakPolarHBondContact O-CE1 3.48Å; A166-T225 HydrophobicContact CB-CG2 3.72Å; A166-W231 HydrophobicContact CB-CE3 4.02Å; A166-W231 HydrophobicContact CB-CZ3 4.1Å
167A96.5Very high95.7Very high18 Ų1872 Ų7215%0.14932%0.323CS..Hα-helixtrans-62.5-40.3176.100000112I161 K163 K164 R171I161-A167 HydrophobicContact CB-CB 3.87Å; I161-A167 HydrophobicContact CG2-CB 4.16Å; K163-A167 PolarHBondContact O-N 3.06Å; K164-A167 WeakPolarHBondContact O-CB 3.2Å; K164-A167 PolarHBondContact O-N 2.98Å; K164-A167 VanDerWaalsContact O-N 3.09Å; A167-R171 WeakPolarHBondContact O-CB 3.47Å; A167-R171 PolarHBondContact O-N 3.3Å
168E96.5Very high95.9Very high89 Ų8967.8 Ų67.842%0.41630%0.3SS..Hα-helixtrans-66.8-43.5175.1-72.2179.3-174.700112K164 D165 A166 R172K164-E168 WeakPolarHBondContact CE-OE1 3.24Å; K164-E168 IonicContact NZ-OE1 3.41Å; K164-E168 WeakPolarHBondContact O-CG 3.38Å; K164-E168 PolarHBondContact O-N 2.88Å; D165-E168 PolarHBondContact O-N 2.96Å; A166-E168 VanDerWaalsContact C-N 3.33Å; A166-E168 PolarHBondContact O-N 2.83Å; E168-R172 VanDerWaalsContact O-CB 3.24Å; E168-R172 WeakPolarHBondContact O-CB 3.43Å; E168-R172 PolarHBondContact O-N 2.83Å
169F98.2Very high96Very high6 Ų660.2 Ų60.23%0.02627%0.272CS..Hα-helixtrans-56.1-51.3172.8165.9-94.6000111.6D165 A166 R171 R172 C173 F174 A188 L189 V192 F221 W231D165-F169 WeakPolarHBondContact O-CB 3.46Å; D165-F169 PolarHBondContact O-N 2.83Å; A166-F169 PolarHBondContact O-N 2.97Å; F169-R171 PolarHBondContact O-N 2.9Å; F169-R172 PolarHBondContact O-N 2.88Å; F169-C173 WeakPolarHBondContact O-CB 3.25Å; F169-C173 PolarHBondContact O-N 2.83Å; F169-C173 PolarHBondContact O-SG 3.46Å; F169-F174 HydrophobicContact CE1-CE2 4.08Å; F169-F174 HydrophobicContact CZ-CE2 4.47Å; F169-A188 HydrophobicContact CZ-CB 4.13Å; F169-L189 HydrophobicContact CE1-CD1 4.46Å; F169-L189 HydrophobicContact CZ-CB 4.33Å; F169-L189 HydrophobicContact CZ-CD1 4.16Å; F169-V192 HydrophobicContact CD2-CG2 3.93Å; F169-V192 HydrophobicContact CE2-CG2 3.96Å; F169-F221 AromaticContact CD1-CE1 3.88Å; F169-F221 HydrophobicContact CD1-CE1 3.88Å; F169-F221 HydrophobicContact CD1-CE2 4.26Å; F169-F221 AromaticContact CD1-CZ 3.43Å; F169-F221 HydrophobicContact CD1-CZ 3.43Å; F169-F221 VanDerWaalsContact CD1-CZ 3.43Å; F169-F221 HydrophobicContact CE1-CE1 4.43Å; F169-F221 HydrophobicContact CE1-CE2 4.22Å; F169-F221 AromaticContact CE1-CZ 3.83Å; F169-F221 HydrophobicContact CE1-CZ 3.83Å; F169-F221 HydrophobicContact CG-CZ 4.45Å; F169-W231 HydrophobicContact CB-CH2 3.71Å; F169-W231 HydrophobicContact CB-CZ2 3.61Å; F169-W231 AromaticContact CD1-CH2 3.71Å; F169-W231 HydrophobicContact CD1-CH2 3.71Å; F169-W231 HydrophobicContact CD1-CZ2 4.36Å; F169-W231 AromaticContact CD2-CH2 3.93Å; F169-W231 HydrophobicContact CD2-CH2 3.93Å; F169-W231 AromaticContact CD2-CZ2 3.84Å; F169-W231 HydrophobicContact CD2-CZ2 3.84Å; F169-W231 HydrophobicContact CE1-CH2 4.32Å; F169-W231 AromaticContact CG-CH2 3.48Å; F169-W231 HydrophobicContact CG-CH2 3.48Å; F169-W231 VanDerWaalsContact CG-CH2 3.48Å; F169-W231 AromaticContact CG-CZ2 3.67Å; F169-W231 HydrophobicContact CG-CZ2 3.67Å
170W98.2Very high96.1Very high12 Ų1259.4 Ų59.45%0.04527%0.269CS..Hα-helixtrans-59.8-50.4-177.9-173.7-85.2000111.2I161 A166 R172 C173 F174 R177 V180 F185 I216 N218 F221I161-W170 HydrophobicContact CD1-CB 3.48Å; I161-W170 VanDerWaalsContact CD1-CB 3.48Å; I161-W170 HydrophobicContact CD1-CD2 4.14Å; I161-W170 HydrophobicContact CD1-CG 3.61Å; A166-W170 PolarHBondContact O-N 2.58Å; W170-R172 VanDerWaalsContact C-N 3.32Å; W170-R172 PolarHBondContact O-N 2.85Å; W170-C173 PolarHBondContact O-N 2.93Å; W170-F174 AromaticContact CD2-CD2 3.68Å; W170-F174 HydrophobicContact CD2-CD2 3.68Å; W170-F174 HydrophobicContact CD2-CE2 4.32Å; W170-F174 AromaticContact CE2-CD2 3.96Å; W170-F174 AromaticContact CE3-CD2 3.72Å; W170-F174 HydrophobicContact CE3-CD2 3.72Å; W170-F174 AromaticContact CE3-CE2 3.9Å; W170-F174 HydrophobicContact CE3-CE2 3.9Å; W170-F174 HydrophobicContact CG-CD2 4.14Å; W170-F174 HydrophobicContact CH2-CD2 4.37Å; W170-F174 HydrophobicContact CZ2-CD2 4.31Å; W170-F174 HydrophobicContact CZ3-CD2 4.09Å; W170-F174 HydrophobicContact CZ3-CE2 4.1Å; W170-F174 PolarHBondContact O-N 2.91Å; W170-R177 PolarHBondContact NE1-O 3.2Å; W170-V180 HydrophobicContact CH2-CG2 3.8Å; W170-V180 HydrophobicContact CZ2-CG2 4.44Å; W170-V180 HydrophobicContact CZ3-CG2 4.35Å; W170-F185 HydrophobicContact CE3-CE2 4.45Å; W170-F185 HydrophobicContact CZ3-CD2 4.01Å; W170-F185 AromaticContact CZ3-CE2 3.92Å; W170-F185 HydrophobicContact CZ3-CE2 3.92Å; W170-I216 HydrophobicContact CZ3-CG2 4.4Å; W170-N218 HydrophobicContact CD2-CB 4.33Å; W170-N218 HydrophobicContact CH2-CB 4.33Å; W170-N218 VanDerWaalsContact CH2-N 3.3Å; W170-N218 HydrophobicContact CZ2-CB 3.75Å; W170-F221 HydrophobicContact CB-CD1 4.43Å; W170-F221 HydrophobicContact CB-CE1 4.19Å; W170-F221 HydrophobicContact CD2-CD1 4.26Å; W170-F221 HydrophobicContact CE3-CB 4Å; W170-F221 AromaticContact CE3-CD1 3.43Å; W170-F221 HydrophobicContact CE3-CD1 3.43Å; W170-F221 VanDerWaalsContact CE3-CD1 3.43Å; W170-F221 HydrophobicContact CE3-CE1 4.03Å; W170-F221 AromaticContact CE3-CG 3.81Å; W170-F221 HydrophobicContact CE3-CG 3.81Å; W170-F221 HydrophobicContact CZ3-CB 3.72Å; W170-F221 HydrophobicContact CZ3-CD1 4.06Å; W170-F221 AromaticContact CZ3-CG 3.97Å; W170-F221 HydrophobicContact CZ3-CG 3.97Å
171R97Very high96.2Very high135 Ų13553.1 Ų53.151%0.50925%0.249SC..Hα-helixtrans-62.3-38.2179.7-179.8164.350.1-105.4-4.9112.4A167 F169 D175A167-R171 WeakPolarHBondContact O-CB 3.47Å; A167-R171 PolarHBondContact O-N 3.3Å; F169-R171 PolarHBondContact O-N 2.9Å; R171-D175 VanDerWaalsContact O-CA 3.26Å; R171-D175 WeakPolarHBondContact O-CA 3.34Å; R171-D175 PolarHBondContact O-N 2.86Å
172R97.6Very high96.2Very high171 Ų17153.6 Ų53.665%0.64525%0.249SC*.Hα-helixtrans-67.9-36.8177.6-175.8-176.467.5173.52.4112.6E168 F169 W170E168-R172 VanDerWaalsContact O-CB 3.24Å; E168-R172 WeakPolarHBondContact O-CB 3.43Å; E168-R172 PolarHBondContact O-N 2.83Å; F169-R172 PolarHBondContact O-N 2.88Å; W170-R172 VanDerWaalsContact C-N 3.32Å; W170-R172 PolarHBondContact O-N 2.85Å
173C97.8Very high96.3Very high46 Ų4660.3 Ų60.331%0.31128%0.278SS..Hα-helixtrans-92.9-27.4-173.1-68.40000113.6F169 W170 A188F169-C173 WeakPolarHBondContact O-CB 3.25Å; F169-C173 PolarHBondContact O-N 2.83Å; F169-C173 PolarHBondContact O-SG 3.46Å; W170-C173 PolarHBondContact O-N 2.93Å; C173-A188 HydrophobicContact CB-CB 4.02Å
174F97.7Very high96.4Very high11 Ų1162.6 Ų62.65%0.04829%0.291CS..Hα-helixtrans-135.48.1-169.9-46.3-58.8000113.9F169 W170 N176 R177 V180 F185 A188F169-F174 HydrophobicContact CE1-CE2 4.08Å; F169-F174 HydrophobicContact CZ-CE2 4.47Å; W170-F174 AromaticContact CD2-CD2 3.68Å; W170-F174 HydrophobicContact CD2-CD2 3.68Å; W170-F174 HydrophobicContact CD2-CE2 4.32Å; W170-F174 AromaticContact CE2-CD2 3.96Å; W170-F174 AromaticContact CE3-CD2 3.72Å; W170-F174 HydrophobicContact CE3-CD2 3.72Å; W170-F174 AromaticContact CE3-CE2 3.9Å; W170-F174 HydrophobicContact CE3-CE2 3.9Å; W170-F174 HydrophobicContact CG-CD2 4.14Å; W170-F174 HydrophobicContact CH2-CD2 4.37Å; W170-F174 HydrophobicContact CZ2-CD2 4.31Å; W170-F174 HydrophobicContact CZ3-CD2 4.09Å; W170-F174 HydrophobicContact CZ3-CE2 4.1Å; W170-F174 PolarHBondContact O-N 2.91Å; F174-N176 PolarHBondContact O-N 3.42Å; F174-R177 HydrophobicContact CB-CB 4.38Å; F174-R177 WeakPolarHBondContact O-CB 3.26Å; F174-R177 VanDerWaalsContact O-CG 3.3Å; F174-R177 WeakPolarHBondContact O-CG 3.36Å; F174-R177 PolarHBondContact O-N 2.72Å; F174-V180 HydrophobicContact CB-CG1 4.03Å; F174-V180 HydrophobicContact CD1-CB 4.41Å; F174-V180 HydrophobicContact CD1-CG1 3.67Å; F174-V180 HydrophobicContact CD1-CG2 4.47Å; F174-V180 HydrophobicContact CD2-CG1 4.47Å; F174-V180 HydrophobicContact CE1-CG1 4.24Å; F174-V180 HydrophobicContact CE1-CG2 4.31Å; F174-V180 HydrophobicContact CE2-CG2 4.38Å; F174-V180 HydrophobicContact CG-CG1 3.8Å; F174-V180 HydrophobicContact CZ-CG2 4.26Å; F174-F185 HydrophobicContact CE2-CD2 4.03Å; F174-F185 HydrophobicContact CZ-CD2 4.09Å; F174-A188 HydrophobicContact CE1-CB 3.85Å; F174-A188 HydrophobicContact CZ-CB 3.52Å
175D95.4Very high96.7Very high110 Ų11057.5 Ų57.559%0.58827%0.269SS*.THydrogen-bonded Turntrans52.3-119.4179.7-53.5-50.6000112R171R171-D175 VanDerWaalsContact O-CA 3.26Å; R171-D175 WeakPolarHBondContact O-CA 3.34Å; R171-D175 PolarHBondContact O-N 2.86Å
176N94.7Very high96.8Very high109 Ų10957.8 Ų57.858%0.58326%0.264SS*.THydrogen-bonded Turntrans-98.411.2-177.2-71-11.3000113.2D157 F174D157-N176 HydrophobicContact CB-CB 3.78Å; F174-N176 PolarHBondContact O-N 3.42Å
177R96.1Very high96.8Very high132 Ų13263.4 Ų63.450%0.49829%0.291SS..  trans-70.6139.4179.3-63.4-172.3-151.3-165.78.8110.9W170 F174 V180W170-R177 PolarHBondContact NE1-O 3.2Å; F174-R177 HydrophobicContact CB-CB 4.38Å; F174-R177 WeakPolarHBondContact O-CB 3.26Å; F174-R177 VanDerWaalsContact O-CG 3.3Å; F174-R177 WeakPolarHBondContact O-CG 3.36Å; F174-R177 PolarHBondContact O-N 2.72Å; R177-V180 HydrophobicContact CB-CG1 4.29Å
178T95.7Very high96.9Very high10 Ų1063.3 Ų63.36%0.06129%0.291CS..SBendtrans-91.3-20.3171.958.40000112.9E148 F154 G156 S217 N218E148-T178 WeakPolarHBondContact OE2-CG2 3.33Å; F154-T178 HydrophobicContact CE2-CG2 4.41Å; F154-T178 HydrophobicContact CZ-CG2 3.81Å; G156-T178 VanDerWaalsContact CA-CG2 3.5Å; T178-S217 CarbonylContact O-C 3.54Å; T178-S217 WeakPolarHBondContact O-CA 3.26Å; T178-N218 PolarHBondContact O-N 2.86Å; T178-N218 PolarHBondContact O-OD1 3.19Å
179L96.5Very high96.9Very high3 Ų359.1 Ų59.12%0.01627%0.271CS..EExtended strand (participates in β ladder)trans-140.5136.7-173.9-168.173.4000110.2F97 Y215F97-L179 HydrophobicContact CB-CD2 3.63Å; F97-L179 HydrophobicContact CD1-CD2 4.23Å; F97-L179 HydrophobicContact CD2-CD2 3.47Å; F97-L179 VanDerWaalsContact CD2-CD2 3.47Å; F97-L179 HydrophobicContact CE2-CD2 4.16Å; F97-L179 HydrophobicContact CG-CD2 3.5Å; L179-Y215 HydrophobicContact CD2-CD1 3.99Å; L179-Y215 HydrophobicContact CD2-CG 4.21Å; L179-Y215 HydrophobicContact CG-CD1 3.96Å; L179-Y215 HydrophobicContact CG-CG 4.25Å
180V97.3Very high96.8Very high3 Ų361.5 Ų61.52%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-138.2151.9176.2-67.60000111.2W170 F174 R177 F185 Y215 I216W170-V180 HydrophobicContact CH2-CG2 3.8Å; W170-V180 HydrophobicContact CZ2-CG2 4.44Å; W170-V180 HydrophobicContact CZ3-CG2 4.35Å; F174-V180 HydrophobicContact CB-CG1 4.03Å; F174-V180 HydrophobicContact CD1-CB 4.41Å; F174-V180 HydrophobicContact CD1-CG1 3.67Å; F174-V180 HydrophobicContact CD1-CG2 4.47Å; F174-V180 HydrophobicContact CD2-CG1 4.47Å; F174-V180 HydrophobicContact CE1-CG1 4.24Å; F174-V180 HydrophobicContact CE1-CG2 4.31Å; F174-V180 HydrophobicContact CE2-CG2 4.38Å; F174-V180 HydrophobicContact CG-CG1 3.8Å; F174-V180 HydrophobicContact CZ-CG2 4.26Å; R177-V180 HydrophobicContact CB-CG1 4.29Å; V180-F185 HydrophobicContact CG2-CB 3.91Å; V180-F185 HydrophobicContact CG2-CD2 4.15Å; V180-F185 HydrophobicContact CG2-CG 4.5Å; V180-Y215 VanDerWaalsContact C-CD1 3.5Å; V180-Y215 CarbonylContact O-C 3.58Å; V180-Y215 WeakPolarHBondContact O-CA 3.22Å; V180-Y215 WeakPolarHBondContact O-CB 3.29Å; V180-Y215 WeakPolarHBondContact O-CD1 3.44Å; V180-I216 PolarHBondContact N-O 3.36Å; V180-I216 PolarHBondContact O-N 2.82Å
181S97.1Very high96.7Very high22 Ų2268.4 Ų68.415%0.15432%0.317CS..EExtended strand (participates in β ladder)trans-63.9148177.182.60000110.7K183 D184 F185S181-K183 PolarHBondContact O-N 3.4Å; S181-K183 VanDerWaalsContact O-N 3.15Å; S181-D184 PolarHBondContact O-N 2.89Å; S181-D184 VanDerWaalsContact O-N 3.15Å; S181-D184 PolarHBondContact OG-N 3.25Å; S181-D184 PolarHBondContact OG-OD2 3.31Å; S181-F185 WeakPolarHBondContact O-CB 3.45Å; S181-F185 PolarHBondContact O-N 3.22Å
182W96.6Very high96.6Very high26 Ų2664.2 Ų64.210%0.09831%0.306CS..Hα-helixtrans-54.3-35.2174.2167.5-104.7000112.1F185 R186 A201 L204 K205 I208 D214 I216W182-F185 HydrophobicContact CE3-CD1 4.08Å; W182-F185 AromaticContact CZ3-CD1 3.86Å; W182-F185 HydrophobicContact CZ3-CD1 3.86Å; W182-F185 HydrophobicContact CZ3-CE1 4.23Å; W182-R186 HydrophobicContact CD2-CB 4.47Å; W182-R186 HydrophobicContact CZ2-CB 4.05Å; W182-R186 HydrophobicContact CZ2-CG 4.16Å; W182-R186 WeakPolarHBondContact O-CB 3.49Å; W182-R186 PolarHBondContact O-N 3.47Å; W182-A201 HydrophobicContact CZ2-CB 4.46Å; W182-A201 WeakPolarHBondContact CZ2-O 3.36Å; W182-L204 HydrophobicContact CH2-CB 4.25Å; W182-L204 HydrophobicContact CH2-CD2 4.24Å; W182-L204 HydrophobicContact CH2-CG 4.11Å; W182-K205 HydrophobicContact CB-CD 4.45Å; W182-K205 HydrophobicContact CD2-CB 3.9Å; W182-K205 HydrophobicContact CD2-CD 3.78Å; W182-K205 HydrophobicContact CD2-CG 3.59Å; W182-K205 HydrophobicContact CE3-CB 4.04Å; W182-K205 HydrophobicContact CE3-CD 4.47Å; W182-K205 HydrophobicContact CE3-CG 3.8Å; W182-K205 HydrophobicContact CG-CD 3.69Å; W182-K205 HydrophobicContact CG-CG 4Å; W182-K205 HydrophobicContact CH2-CB 3.75Å; W182-K205 HydrophobicContact CH2-CG 4.43Å; W182-K205 HydrophobicContact CZ2-CB 3.6Å; W182-K205 HydrophobicContact CZ2-CG 4.27Å; W182-K205 HydrophobicContact CZ3-CB 3.96Å; W182-K205 HydrophobicContact CZ3-CG 4.2Å; W182-I208 HydrophobicContact CZ3-CD1 4.38Å; W182-D214 WeakPolarHBondContact CB-O 3.48Å; W182-D214 PolarHBondContact N-O 2.96Å; W182-I216 HydrophobicContact CE3-CD1 3.94Å; W182-I216 HydrophobicContact CE3-CG1 3.89Å; W182-I216 HydrophobicContact CZ3-CD1 4.38Å; W182-I216 HydrophobicContact CZ3-CG1 4.46Å
183K96Very high96.5Very high148 Ų14857 Ų5764%0.64328%0.28SS*.Hα-helixtrans-61.7-50.9179.2-177.3-173173.6-168.90110.6S181 R186 M187S181-K183 PolarHBondContact O-N 3.4Å; S181-K183 VanDerWaalsContact O-N 3.15Å; K183-R186 PolarHBondContact O-N 3.07Å; K183-M187 WeakPolarHBondContact O-CG 3.4Å; K183-M187 PolarHBondContact O-N 3.36Å; K183-M187 VanDerWaalsContact O-N 3.09Å
184D97.1Very high96.4Very high70 Ų7059.4 Ų59.437%0.37430%0.295SS..Hα-helixtrans-69.6-41.9-178.3-54.8-35.4000110.7S181 R186 M187 A188S181-D184 PolarHBondContact O-N 2.89Å; S181-D184 VanDerWaalsContact O-N 3.15Å; S181-D184 PolarHBondContact OG-N 3.25Å; S181-D184 PolarHBondContact OG-OD2 3.31Å; D184-R186 PolarHBondContact O-N 3.02Å; D184-M187 PolarHBondContact O-N 3.3Å; D184-A188 PolarHBondContact O-N 3.39Å
185F98.1Very high96.1Very high0 Ų059.5 Ų59.50%030%0.296CS..Hα-helixtrans-57.3-49.1174.9-178.5-95.4000112W170 F174 V180 S181 W182 M187 A188 L189 I208 I216 F221W170-F185 HydrophobicContact CE3-CE2 4.45Å; W170-F185 HydrophobicContact CZ3-CD2 4.01Å; W170-F185 AromaticContact CZ3-CE2 3.92Å; W170-F185 HydrophobicContact CZ3-CE2 3.92Å; F174-F185 HydrophobicContact CE2-CD2 4.03Å; F174-F185 HydrophobicContact CZ-CD2 4.09Å; V180-F185 HydrophobicContact CG2-CB 3.91Å; V180-F185 HydrophobicContact CG2-CD2 4.15Å; V180-F185 HydrophobicContact CG2-CG 4.5Å; S181-F185 WeakPolarHBondContact O-CB 3.45Å; S181-F185 PolarHBondContact O-N 3.22Å; W182-F185 HydrophobicContact CE3-CD1 4.08Å; W182-F185 AromaticContact CZ3-CD1 3.86Å; W182-F185 HydrophobicContact CZ3-CD1 3.86Å; W182-F185 HydrophobicContact CZ3-CE1 4.23Å; F185-M187 VanDerWaalsContact C-N 3.34Å; F185-M187 PolarHBondContact O-N 3.21Å; F185-A188 PolarHBondContact O-N 3.36Å; F185-L189 HydrophobicContact CE1-CB 4.37Å; F185-L189 HydrophobicContact CE1-CD2 3.78Å; F185-L189 HydrophobicContact CZ-CD2 4.16Å; F185-L189 VanDerWaalsContact O-CB 3.31Å; F185-L189 WeakPolarHBondContact O-CB 3.47Å; F185-L189 PolarHBondContact O-N 3.45Å; F185-I208 HydrophobicContact CE1-CD1 3.74Å; F185-I208 HydrophobicContact CZ-CD1 4.27Å; F185-I216 HydrophobicContact CB-CB 4.32Å; F185-I216 HydrophobicContact CB-CG1 4.1Å; F185-I216 HydrophobicContact CD1-CB 4.4Å; F185-I216 HydrophobicContact CD1-CG1 3.83Å; F185-I216 HydrophobicContact CD1-CG2 4.47Å; F185-I216 HydrophobicContact CD2-CB 4.06Å; F185-I216 HydrophobicContact CD2-CG1 4.38Å; F185-I216 HydrophobicContact CD2-CG2 3.9Å; F185-I216 HydrophobicContact CE1-CG1 4.39Å; F185-I216 HydrophobicContact CE1-CG2 4.47Å; F185-I216 HydrophobicContact CE2-CG2 3.91Å; F185-I216 HydrophobicContact CG-CB 3.98Å; F185-I216 HydrophobicContact CG-CG1 3.83Å; F185-I216 HydrophobicContact CG-CG2 4.2Å; F185-I216 HydrophobicContact CZ-CG2 4.21Å; F185-F221 HydrophobicContact CE2-CB 4.42Å; F185-F221 AromaticContact CE2-CD2 3.63Å; F185-F221 HydrophobicContact CE2-CD2 3.63Å; F185-F221 HydrophobicContact CE2-CE2 4.08Å; F185-F221 HydrophobicContact CE2-CG 4.12Å; F185-F221 AromaticContact CZ-CD2 3.55Å; F185-F221 HydrophobicContact CZ-CD2 3.55Å; F185-F221 AromaticContact CZ-CE2 3.95Å; F185-F221 HydrophobicContact CZ-CE2 3.95Å; F185-F221 HydrophobicContact CZ-CG 4.42Å
186R97Very high95.7Very high93 Ų9359.6 Ų59.635%0.35130%0.303SS..Hα-helixtrans-60.3-43.6178.8179.1-171.5170.1-168.7-2.5111.5W182 K183 D184 N190 I195 A201W182-R186 HydrophobicContact CD2-CB 4.47Å; W182-R186 HydrophobicContact CZ2-CB 4.05Å; W182-R186 HydrophobicContact CZ2-CG 4.16Å; W182-R186 WeakPolarHBondContact O-CB 3.49Å; W182-R186 PolarHBondContact O-N 3.47Å; K183-R186 PolarHBondContact O-N 3.07Å; D184-R186 PolarHBondContact O-N 3.02Å; R186-N190 VanDerWaalsContact O-CB 3.23Å; R186-N190 WeakPolarHBondContact O-CB 3.46Å; R186-N190 PolarHBondContact O-N 3.08Å; R186-I195 HydrophobicContact CG-CD1 3.81Å; R186-A201 VanDerWaalsContact CZ-CB 3.4Å
187M96.2Very high95.3Very high117 Ų11756.1 Ų56.158%0.57629%0.288SS*.Hα-helixtrans-61.4-50.8178.9-75179.660.400110.8K183 D184 F185 L189 N190 E191K183-M187 WeakPolarHBondContact O-CG 3.4Å; K183-M187 PolarHBondContact O-N 3.36Å; K183-M187 VanDerWaalsContact O-N 3.09Å; D184-M187 PolarHBondContact O-N 3.3Å; F185-M187 VanDerWaalsContact C-N 3.34Å; F185-M187 PolarHBondContact O-N 3.21Å; M187-L189 PolarHBondContact O-N 3.22Å; M187-N190 PolarHBondContact O-N 3.49Å; M187-E191 PolarHBondContact O-N 3.43Å
188A97.8Very high94.9Very high17 Ų1752.2 Ų52.214%0.1429%0.288CS..Hα-helixtrans-62.7-41.9178.900000112.7F169 C173 F174 D184 F185 N190 E191F169-A188 HydrophobicContact CZ-CB 4.13Å; C173-A188 HydrophobicContact CB-CB 4.02Å; F174-A188 HydrophobicContact CE1-CB 3.85Å; F174-A188 HydrophobicContact CZ-CB 3.52Å; D184-A188 PolarHBondContact O-N 3.39Å; F185-A188 PolarHBondContact O-N 3.36Å; A188-N190 VanDerWaalsContact C-N 3.31Å; A188-N190 PolarHBondContact O-N 2.84Å; A188-E191 PolarHBondContact O-N 2.92Å
189L97.5Very high94.6Very high0 Ų053.9 Ų53.90%030%0.297CS..Hα-helixtrans-65-37.8178.6-172.267.7000111.5F169 F185 M187 E191 V192 H193 L204 W231 L235F169-L189 HydrophobicContact CE1-CD1 4.46Å; F169-L189 HydrophobicContact CZ-CB 4.33Å; F169-L189 HydrophobicContact CZ-CD1 4.16Å; F185-L189 HydrophobicContact CE1-CB 4.37Å; F185-L189 HydrophobicContact CE1-CD2 3.78Å; F185-L189 HydrophobicContact CZ-CD2 4.16Å; F185-L189 VanDerWaalsContact O-CB 3.31Å; F185-L189 WeakPolarHBondContact O-CB 3.47Å; F185-L189 PolarHBondContact O-N 3.45Å; M187-L189 PolarHBondContact O-N 3.22Å; L189-E191 PolarHBondContact O-N 2.89Å; L189-V192 PolarHBondContact O-N 3.46Å; L189-V192 VanDerWaalsContact O-N 3.11Å; L189-H193 PolarHBondContact O-N 2.68Å; L189-L204 HydrophobicContact CD2-CD2 4Å; L189-W231 HydrophobicContact CD1-CH2 4.37Å; L189-L235 HydrophobicContact CD2-CD2 4.34Å
190N96.3Very high94.4Very high57 Ų5754 Ų5431%0.30530%0.298SS..Hα-helixtrans-62.5-27.7-179.9-174.177000113.3R186 M187 A188 V192 H193 I195R186-N190 VanDerWaalsContact O-CB 3.23Å; R186-N190 WeakPolarHBondContact O-CB 3.46Å; R186-N190 PolarHBondContact O-N 3.08Å; M187-N190 PolarHBondContact O-N 3.49Å; A188-N190 VanDerWaalsContact C-N 3.31Å; A188-N190 PolarHBondContact O-N 2.84Å; N190-V192 VanDerWaalsContact C-N 3.27Å; N190-V192 PolarHBondContact O-N 2.88Å; N190-H193 WeakPolarHBondContact CA-O 3.47Å; N190-I195 HydrophobicContact CB-CD1 4.33Å; N190-I195 HydrophobicContact CB-CG1 4.47Å; N190-I195 PolarHBondContact OD1-N 3.4Å
191E95.3Very high94.2Very high156 Ų15654 Ų5473%0.72930%0.297SS*.Hα-helixtrans-67.5-26.4175.9-63.1-55.7126.800113M187 A188 L189M187-E191 PolarHBondContact O-N 3.43Å; A188-E191 PolarHBondContact O-N 2.92Å; L189-E191 PolarHBondContact O-N 2.89Å
192V95.5Very high94Very high48 Ų4855.6 Ų55.629%0.29130%0.304SS..Hα-helixtrans-107.3-36.6-178.7-175.40000111.9F169 L189 N190 W231F169-V192 HydrophobicContact CD2-CG2 3.93Å; F169-V192 HydrophobicContact CE2-CG2 3.96Å; L189-V192 PolarHBondContact O-N 3.46Å; L189-V192 VanDerWaalsContact O-N 3.11Å; N190-V192 VanDerWaalsContact C-N 3.27Å; N190-V192 PolarHBondContact O-N 2.88Å; V192-W231 HydrophobicContact CG1-CZ2 3.93Å
193H95.5Very high93.7Very high20 Ų2054.5 Ų54.59%0.09330%0.3CS..SBendtrans-128.295.7179-61.7-59.9000109.4L189 N190 I195 W231 L235L189-H193 PolarHBondContact O-N 2.68Å; N190-H193 WeakPolarHBondContact CA-O 3.47Å; H193-I195 PolarHBondContact O-N 3.4Å; H193-W231 PolarHBondContact CE1-O 3.2Å; H193-W231 AromaticContact NE2-CD2 3.68Å; H193-W231 AromaticContact NE2-CE2 3.43Å; H193-W231 AromaticContact NE2-CE3 3.97Å; H193-W231 AromaticContact NE2-CH2 3.79Å; H193-W231 AromaticContact NE2-CZ2 3.51Å; H193-W231 AromaticContact NE2-NE1 3.94Å; H193-W231 PolarHBondContact NE2-O 3.36Å; H193-L235 HydrophobicContact CB-CD1 3.52Å; H193-L235 HydrophobicContact CB-CG 3.71Å; H193-L235 WeakPolarHBondContact O-CD1 3.39Å
194P94.6Very high93.7Very high95 Ų9547.4 Ų47.462%0.61727%0.269SS*.  trans-55.8128.6-175.9-28.135.4000113.1
195I92.4Very high93.6Very high14 Ų1445 Ų457%0.07226%0.256CS..  trans-102.8109.3177.5-55.7171.2000107.7R186 N190 H193 S197 E200 A201 L204 L235R186-I195 HydrophobicContact CG-CD1 3.81Å; N190-I195 HydrophobicContact CB-CD1 4.33Å; N190-I195 HydrophobicContact CB-CG1 4.47Å; N190-I195 PolarHBondContact OD1-N 3.4Å; H193-I195 PolarHBondContact O-N 3.4Å; I195-S197 PolarHBondContact O-N 2.92Å; I195-E200 HydrophobicContact CG2-CB 4.33Å; I195-E200 HydrophobicContact CG2-CG 4.11Å; I195-A201 HydrophobicContact CG2-CB 3.93Å; I195-L204 HydrophobicContact CD1-CD2 3.97Å; I195-L204 HydrophobicContact CG1-CD2 4.39Å; I195-L235 HydrophobicContact CG1-CD1 3.94Å
196C85.5Confident93.3Very high111 Ų11146.7 Ų46.775%0.7527%0.266SS*.  trans-76.7-21.6-163.6-63.10000114E200C196-E200 WeakPolarHBondContact CA-OE2 3.45Å; C196-E200 WeakPolarHBondContact CB-OE2 3.35Å; C196-E200 PolarHBondContact N-OE2 3.39Å
197S88Confident93.1Very high36 Ų3643.3 Ų43.325%0.25226%0.255SS..  trans-151.1162.4-176.371.40000114.7I195 E200 A201I195-S197 PolarHBondContact O-N 2.92Å; S197-E200 PolarHBondContact O-N 3.45Å; S197-E200 VanDerWaalsContact OG-CB 3.24Å; S197-E200 WeakPolarHBondContact OG-CB 3.47Å; S197-E200 PolarHBondContact OG-N 3.4Å; S197-E200 VanDerWaalsContact OG-N 3.1Å; S197-A201 PolarHBondContact O-N 3.3Å
198G88Confident93.2Very high50 Ų5037.8 Ų37.852%0.51523%0.228SC..Hα-helixtrans-64-35.5173.500000113.7A201 L202G198-A201 PolarHBondContact O-N 3.36Å; G198-L202 PolarHBondContact O-N 3.47Å
199L89Confident93.1Very high45 Ų4537.1 Ų37.124%0.23622%0.222CC..Hα-helixtrans-69.7-39.4175.8-63.8-164.8000112W7 L10 L14 L202 A203W7-L199 HydrophobicContact CD2-CD1 3.88Å; W7-L199 HydrophobicContact CE3-CD1 3.6Å; W7-L199 HydrophobicContact CH2-CD1 3.28Å; W7-L199 HydrophobicContact CH2-CG 4.04Å; W7-L199 HydrophobicContact CZ2-CD1 3.55Å; W7-L199 HydrophobicContact CZ3-CD1 3.3Å; W7-L199 HydrophobicContact CZ3-CG 4.01Å; L10-L199 HydrophobicContact CD1-CB 4.49Å; L14-L199 HydrophobicContact CD1-CB 4.39Å; L14-L199 HydrophobicContact CD1-CD1 4.45Å; L14-L199 HydrophobicContact CD1-CD2 3.71Å; L14-L199 HydrophobicContact CD1-CG 4.41Å; L199-L202 PolarHBondContact O-N 3.02Å; L199-A203 WeakPolarHBondContact O-CB 3.39Å; L199-A203 PolarHBondContact O-N 3.47Å
200E91.7Very high92.9Very high7 Ų738 Ų383%0.03323%0.227CC..Hα-helixtrans-61-46.8173.5-178.2-179.7-166.700110.7I195 C196 S197 L202 A203 L204 W238 Q239I195-E200 HydrophobicContact CG2-CB 4.33Å; I195-E200 HydrophobicContact CG2-CG 4.11Å; C196-E200 WeakPolarHBondContact CA-OE2 3.45Å; C196-E200 WeakPolarHBondContact CB-OE2 3.35Å; C196-E200 PolarHBondContact N-OE2 3.39Å; S197-E200 PolarHBondContact O-N 3.45Å; S197-E200 VanDerWaalsContact OG-CB 3.24Å; S197-E200 WeakPolarHBondContact OG-CB 3.47Å; S197-E200 PolarHBondContact OG-N 3.4Å; S197-E200 VanDerWaalsContact OG-N 3.1Å; E200-L202 VanDerWaalsContact C-N 3.28Å; E200-L202 PolarHBondContact O-N 3.48Å; E200-A203 PolarHBondContact O-N 3.1Å; E200-L204 VanDerWaalsContact O-CB 3.26Å; E200-L204 WeakPolarHBondContact O-CB 3.23Å; E200-L204 PolarHBondContact O-N 3.22Å; E200-W238 HydrophobicContact CG-CH2 4.05Å; E200-W238 HydrophobicContact CG-CZ3 3.84Å; E200-Q239 PolarHBondContact OE1-NE2 3.04Å
201A93.3Very high92.9Very high1 Ų135.4 Ų35.41%0.00821%0.213CC..Hα-helixtrans-57.2-42.5175.900000112W182 R186 I195 S197 G198 L204 K205W182-A201 HydrophobicContact CZ2-CB 4.46Å; W182-A201 WeakPolarHBondContact CZ2-O 3.36Å; R186-A201 VanDerWaalsContact CZ-CB 3.4Å; I195-A201 HydrophobicContact CG2-CB 3.93Å; S197-A201 PolarHBondContact O-N 3.3Å; G198-A201 PolarHBondContact O-N 3.36Å; A201-L204 PolarHBondContact O-N 2.87Å; A201-K205 WeakPolarHBondContact O-CB 3.46Å; A201-K205 PolarHBondContact O-N 2.89Å
202L92.2Very high92.9Very high57 Ų5729.4 Ų29.430%0.29819%0.188SC..Hα-helixtrans-68.8-39.9179.2-173.860.2000112.4L14 W21 G198 L199 E200 K205 T206L14-L202 HydrophobicContact CD1-CD2 4.31Å; L14-L202 HydrophobicContact CD2-CB 3.86Å; L14-L202 HydrophobicContact CD2-CD2 3.3Å; L14-L202 HydrophobicContact CD2-CG 3.33Å; L14-L202 HydrophobicContact CG-CD2 4.41Å; W21-L202 HydrophobicContact CZ2-CD1 4.43Å; G198-L202 PolarHBondContact O-N 3.47Å; L199-L202 PolarHBondContact O-N 3.02Å; E200-L202 VanDerWaalsContact C-N 3.28Å; E200-L202 PolarHBondContact O-N 3.48Å; L202-K205 WeakPolarHBondContact O-CB 3.45Å; L202-K205 PolarHBondContact O-N 3.46Å; L202-T206 VanDerWaalsContact O-CG2 3.28Å; L202-T206 WeakPolarHBondContact O-CG2 3.36Å; L202-T206 PolarHBondContact O-N 3.28Å
203A91.6Very high92.8Very high2 Ų227.7 Ų27.72%0.01718%0.177CC..Hα-helixtrans-69.8-32.9174.600000112.8L10 L199 E200 T206 T207 W238L10-A203 HydrophobicContact CD2-CB 3.54Å; L199-A203 WeakPolarHBondContact O-CB 3.39Å; L199-A203 PolarHBondContact O-N 3.47Å; E200-A203 PolarHBondContact O-N 3.1Å; A203-T206 PolarHBondContact O-OG1 3.36Å; A203-T207 PolarHBondContact O-N 3.48Å; A203-T207 PolarHBondContact O-OG1 2.97Å; A203-W238 HydrophobicContact CB-CH2 4.2Å; A203-W238 HydrophobicContact CB-CZ2 4.13Å
204L95Very high92.8Very high0 Ų027.5 Ų27.50%018%0.177CC..Hα-helixtrans-66.6-46.8174.5-177.261.7000109.9W182 L189 I195 E200 A201 T206 T207 I208 F224 L235 W238W182-L204 HydrophobicContact CH2-CB 4.25Å; W182-L204 HydrophobicContact CH2-CD2 4.24Å; W182-L204 HydrophobicContact CH2-CG 4.11Å; L189-L204 HydrophobicContact CD2-CD2 4Å; I195-L204 HydrophobicContact CD1-CD2 3.97Å; I195-L204 HydrophobicContact CG1-CD2 4.39Å; E200-L204 VanDerWaalsContact O-CB 3.26Å; E200-L204 WeakPolarHBondContact O-CB 3.23Å; E200-L204 PolarHBondContact O-N 3.22Å; A201-L204 PolarHBondContact O-N 2.87Å; L204-T206 VanDerWaalsContact C-N 3.29Å; L204-T206 PolarHBondContact O-N 3.46Å; L204-T207 WeakPolarHBondContact O-CA 3.37Å; L204-T207 WeakPolarHBondContact O-CB 3.39Å; L204-T207 PolarHBondContact O-N 3.32Å; L204-I208 HydrophobicContact CD1-CD1 3.75Å; L204-I208 HydrophobicContact CD1-CG1 4.09Å; L204-I208 HydrophobicContact CD2-CD1 4.3Å; L204-I208 HydrophobicContact CG-CD1 3.75Å; L204-I208 HydrophobicContact CG-CG1 4.3Å; L204-I208 WeakPolarHBondContact O-CG1 3.39Å; L204-I208 PolarHBondContact O-N 3.45Å; L204-F224 HydrophobicContact CD1-CE2 4.01Å; L204-F224 HydrophobicContact CD1-CZ 3.67Å; L204-L235 HydrophobicContact CD1-CD2 3.73Å; L204-L235 HydrophobicContact CD2-CD1 4.34Å; L204-L235 HydrophobicContact CD2-CD2 3.82Å; L204-L235 HydrophobicContact CG-CD2 4.46Å; L204-W238 HydrophobicContact CB-CH2 3.92Å; L204-W238 HydrophobicContact CB-CZ2 4.04Å; L204-W238 HydrophobicContact CB-CZ3 4.37Å; L204-W238 HydrophobicContact CD1-CD2 3.79Å; L204-W238 HydrophobicContact CD1-CE3 3.99Å; L204-W238 HydrophobicContact CD1-CG 4.26Å; L204-W238 HydrophobicContact CD1-CH2 4.35Å; L204-W238 HydrophobicContact CD1-CZ2 4.15Å; L204-W238 HydrophobicContact CD1-CZ3 4.27Å
205K95.9Very high92.9Very high20 Ų2024.6 Ų24.69%0.08715%0.154CC..Hα-helixtrans-51.4-48.8175.1-172.3179.5-173178.20111.9W21 W182 A201 L202 T207 I208 D209 D214W21-K205 HydrophobicContact CH2-CD 3.86Å; W21-K205 HydrophobicContact CZ2-CD 4.19Å; W182-K205 HydrophobicContact CB-CD 4.45Å; W182-K205 HydrophobicContact CD2-CB 3.9Å; W182-K205 HydrophobicContact CD2-CD 3.78Å; W182-K205 HydrophobicContact CD2-CG 3.59Å; W182-K205 HydrophobicContact CE3-CB 4.04Å; W182-K205 HydrophobicContact CE3-CD 4.47Å; W182-K205 HydrophobicContact CE3-CG 3.8Å; W182-K205 HydrophobicContact CG-CD 3.69Å; W182-K205 HydrophobicContact CG-CG 4Å; W182-K205 HydrophobicContact CH2-CB 3.75Å; W182-K205 HydrophobicContact CH2-CG 4.43Å; W182-K205 HydrophobicContact CZ2-CB 3.6Å; W182-K205 HydrophobicContact CZ2-CG 4.27Å; W182-K205 HydrophobicContact CZ3-CB 3.96Å; W182-K205 HydrophobicContact CZ3-CG 4.2Å; A201-K205 WeakPolarHBondContact O-CB 3.46Å; A201-K205 PolarHBondContact O-N 2.89Å; L202-K205 WeakPolarHBondContact O-CB 3.45Å; L202-K205 PolarHBondContact O-N 3.46Å; K205-T207 PolarHBondContact O-N 3.27Å; K205-T207 VanDerWaalsContact O-N 3.09Å; K205-I208 PolarHBondContact O-N 2.87Å; K205-I208 VanDerWaalsContact O-N 3.16Å; K205-D209 HydrophobicContact CG-CB 4.17Å; K205-D209 VanDerWaalsContact O-CB 3.25Å; K205-D209 WeakPolarHBondContact O-CB 3.46Å; K205-D209 PolarHBondContact O-N 3.26Å; K205-D214 VanDerWaalsContact CE-OD1 3.27Å; K205-D214 WeakPolarHBondContact CE-OD1 3.43Å; K205-D214 IonicContact NZ-OD1 3.89Å; K205-D214 PolarHBondContact NZ-OD1 2.97Å
206T90.9Very high93.2Very high34 Ų3424 Ų2421%0.20915%0.151CC..Hα-helixtrans-68.4-10-178.463.30000113.7A17 W21 L202 A203 L204A17-T206 HydrophobicContact CB-CG2 3.42Å; A17-T206 VanDerWaalsContact CB-CG2 3.42Å; W21-T206 HydrophobicContact CZ2-CG2 4.15Å; L202-T206 VanDerWaalsContact O-CG2 3.28Å; L202-T206 WeakPolarHBondContact O-CG2 3.36Å; L202-T206 PolarHBondContact O-N 3.28Å; A203-T206 PolarHBondContact O-OG1 3.36Å; L204-T206 VanDerWaalsContact C-N 3.29Å; L204-T206 PolarHBondContact O-N 3.46Å
207T93.8Very high93.8Very high22 Ų2218.7 Ų18.714%0.13512%0.115CC..Hα-helixtrans-94.3-36.9172.8-51.10000112.4A203 L204 K205 F224 F228 W238A203-T207 PolarHBondContact O-N 3.48Å; A203-T207 PolarHBondContact O-OG1 2.97Å; L204-T207 WeakPolarHBondContact O-CA 3.37Å; L204-T207 WeakPolarHBondContact O-CB 3.39Å; L204-T207 PolarHBondContact O-N 3.32Å; K205-T207 PolarHBondContact O-N 3.27Å; K205-T207 VanDerWaalsContact O-N 3.09Å; T207-F224 HydrophobicContact CG2-CD2 4.39Å; T207-F224 HydrophobicContact CG2-CE2 4.26Å; T207-F228 HydrophobicContact CG2-CE2 3.91Å; T207-F228 HydrophobicContact CG2-CZ 4.07Å; T207-W238 PolarHBondContact OG1-NE1 3.05Å
208I96.4Very high94.3Very high1 Ų117.2 Ų17.21%0.00510%0.104CC..Hα-helixtrans-88.6-43.6-176.4-50.9-179.9000111.8W182 F185 L204 K205 L210 I216 F224W182-I208 HydrophobicContact CZ3-CD1 4.38Å; F185-I208 HydrophobicContact CE1-CD1 3.74Å; F185-I208 HydrophobicContact CZ-CD1 4.27Å; L204-I208 HydrophobicContact CD1-CD1 3.75Å; L204-I208 HydrophobicContact CD1-CG1 4.09Å; L204-I208 HydrophobicContact CD2-CD1 4.3Å; L204-I208 HydrophobicContact CG-CD1 3.75Å; L204-I208 HydrophobicContact CG-CG1 4.3Å; L204-I208 WeakPolarHBondContact O-CG1 3.39Å; L204-I208 PolarHBondContact O-N 3.45Å; K205-I208 PolarHBondContact O-N 2.87Å; K205-I208 VanDerWaalsContact O-N 3.16Å; I208-L210 VanDerWaalsContact C-N 3.27Å; I208-L210 PolarHBondContact O-N 3.44Å; I208-I216 HydrophobicContact CB-CD1 4.04Å; I208-I216 HydrophobicContact CG2-CD1 3.75Å; I208-I216 HydrophobicContact CG2-CG1 4.38Å; I208-I216 HydrophobicContact CG2-CG2 3.85Å; I208-F224 HydrophobicContact CD1-CD1 3.91Å; I208-F224 HydrophobicContact CD1-CD2 4.21Å; I208-F224 HydrophobicContact CD1-CE1 3.81Å; I208-F224 HydrophobicContact CD1-CE2 4.12Å; I208-F224 HydrophobicContact CD1-CG 4.11Å; I208-F224 HydrophobicContact CD1-CZ 3.94Å; I208-F224 HydrophobicContact CG1-CB 4.4Å; I208-F224 HydrophobicContact CG1-CD1 4.11Å; I208-F224 HydrophobicContact CG1-CD2 3.56Å; I208-F224 HydrophobicContact CG1-CE1 4.24Å; I208-F224 HydrophobicContact CG1-CE2 3.73Å; I208-F224 HydrophobicContact CG1-CG 3.77Å; I208-F224 HydrophobicContact CG1-CZ 4.08Å; I208-F224 HydrophobicContact CG2-CB 4.24Å; I208-F224 HydrophobicContact CG2-CG 4.42Å
209D96.2Very high94.8Very high4 Ų415.4 Ų15.42%0.0218%0.082CC..  trans-76.275.7179.6-177.92.2000110K205 T211 C212 N213 D214 I216K205-D209 HydrophobicContact CG-CB 4.17Å; K205-D209 VanDerWaalsContact O-CB 3.25Å; K205-D209 WeakPolarHBondContact O-CB 3.46Å; K205-D209 PolarHBondContact O-N 3.26Å; D209-T211 VanDerWaalsContact C-N 3.28Å; D209-T211 PolarHBondContact O-N 3.38Å; D209-C212 PolarHBondContact O-N 3.01Å; D209-C212 WeakPolarHBondContact OD1-CA 3.43Å; D209-C212 PolarHBondContact OD1-N 3.09Å; D209-N213 PolarHBondContact OD1-N 3.43Å; D209-N213 PolarHBondContact OD2-N 3.27Å; D209-D214 WeakPolarHBondContact OD2-CA 3.46Å; D209-D214 PolarHBondContact OD2-N 3.36Å; D209-I216 HydrophobicContact CB-CD1 3.78Å
210L94.7Very high95.2Very high19 Ų1913.3 Ų13.310%0.0997%0.071CC..THydrogen-bonded Turntrans-65.8-32.6-178.2-63.8179.9000111.8H140 I208 C212 E220 V223H140-L210 HydrophobicContact CB-CB 4.06Å; I208-L210 VanDerWaalsContact C-N 3.27Å; I208-L210 PolarHBondContact O-N 3.44Å; L210-C212 VanDerWaalsContact C-N 3.33Å; L210-E220 WeakPolarHBondContact CA-OE1 3.45Å; L210-E220 HydrophobicContact CB-CG 4.18Å; L210-E220 HydrophobicContact CD1-CG 4.37Å; L210-E220 HydrophobicContact CG-CG 4.33Å; L210-E220 PolarHBondContact N-OE1 3.08Å; L210-V223 HydrophobicContact CD1-CB 4.3Å; L210-V223 HydrophobicContact CD1-CG1 3.81Å
211T95.7Very high95.5Very high2 Ų213 Ų131%0.0127%0.07CC..THydrogen-bonded Turntrans-86.3-7.1-179.867.80000113.3N101 K105 M141 D209 N213 E220N101-T211 PolarHBondContact ND2-O 2.87Å; K105-T211 VanDerWaalsContact CE-O 3.29Å; K105-T211 WeakPolarHBondContact CE-O 3.26Å; K105-T211 PolarHBondContact NZ-O 3.49Å; M141-T211 HydrophobicContact CG-CG2 3.76Å; D209-T211 VanDerWaalsContact C-N 3.28Å; D209-T211 PolarHBondContact O-N 3.38Å; T211-N213 VanDerWaalsContact OG1-CG 3.3Å; T211-N213 PolarHBondContact OG1-ND2 3.41Å; T211-E220 WeakPolarHBondContact CG2-OE1 3.34Å; T211-E220 PolarHBondContact N-OE1 3.28Å; T211-E220 PolarHBondContact OG1-OE1 3Å
212C94.8Very high95.7Very high30 Ų3012.9 Ų12.920%0.2037%0.069CC..  trans52.454.2179.7-60.10000111.6R104 K105 I137 D209 L210R104-C212 PolarHBondContact NH2-O 2.85Å; K105-C212 PolarHBondContact NZ-O 2.93Å; I137-C212 HydrophobicContact CD1-CB 4.4Å; D209-C212 PolarHBondContact O-N 3.01Å; D209-C212 WeakPolarHBondContact OD1-CA 3.43Å; D209-C212 PolarHBondContact OD1-N 3.09Å; L210-C212 VanDerWaalsContact C-N 3.33Å
213N94.1Very high96Very high12 Ų1210.4 Ų10.46%0.0646%0.056CC..SBendtrans-118.74.4-178.3737.5000115.8N101 R104 D209 T211 Y215N101-N213 HydrophobicContact CB-CB 4.28Å; R104-N213 VanDerWaalsContact NH2-CA 3.34Å; D209-N213 PolarHBondContact OD1-N 3.43Å; D209-N213 PolarHBondContact OD2-N 3.27Å; T211-N213 VanDerWaalsContact OG1-CG 3.3Å; T211-N213 PolarHBondContact OG1-ND2 3.41Å; N213-Y215 WeakPolarHBondContact O-CD2 3.32Å; N213-Y215 PolarHBondContact O-N 3.3Å; N213-Y215 WeakPolarHBondContact OD1-CA 3.31Å; N213-Y215 WeakPolarHBondContact OD1-CB 3.47Å; N213-Y215 PolarHBondContact OD1-N 2.84Å; N213-Y215 PolarHBondContact OD1-O 2.92Å
214D95.4Very high96.3Very high15 Ų1510.4 Ų10.48%0.086%0.056CC..SBendtrans67.710.5-175.9-52.1-53.8000114.4W21 S28 W182 K205 D209W21-D214 WeakPolarHBondContact CH2-OD1 3.4Å; W21-D214 WeakPolarHBondContact CZ3-OD1 3.14Å; S28-D214 WeakPolarHBondContact CB-OD2 3.23Å; S28-D214 PolarHBondContact OG-OD2 3.36Å; W182-D214 WeakPolarHBondContact CB-O 3.48Å; W182-D214 PolarHBondContact N-O 2.96Å; K205-D214 VanDerWaalsContact CE-OD1 3.27Å; K205-D214 WeakPolarHBondContact CE-OD1 3.43Å; K205-D214 IonicContact NZ-OD1 3.89Å; K205-D214 PolarHBondContact NZ-OD1 2.97Å; D209-D214 WeakPolarHBondContact OD2-CA 3.46Å; D209-D214 PolarHBondContact OD2-N 3.36Å
215Y97.4Very high96.4Very high35 Ų3510.6 Ų10.614%0.1376%0.057CC..EExtended strand (participates in β ladder)trans-121156.6172.6-71-108.3000108.7F97 L179 V180 N213F97-Y215 HydrophobicContact CD1-CD2 4.02Å; F97-Y215 HydrophobicContact CD1-CE2 4.01Å; F97-Y215 HydrophobicContact CD1-CG 4.35Å; F97-Y215 HydrophobicContact CE1-CD1 4.14Å; F97-Y215 AromaticContact CE1-CD2 3.7Å; F97-Y215 HydrophobicContact CE1-CD2 3.7Å; F97-Y215 AromaticContact CE1-CE1 3.69Å; F97-Y215 HydrophobicContact CE1-CE1 3.69Å; F97-Y215 AromaticContact CE1-CE2 3.23Å; F97-Y215 HydrophobicContact CE1-CE2 3.23Å; F97-Y215 HydrophobicContact CE1-CG 4.16Å; F97-Y215 AromaticContact CE1-CZ 3.22Å; F97-Y215 HydrophobicContact CE2-CE1 4.15Å; F97-Y215 HydrophobicContact CZ-CD1 4.15Å; F97-Y215 HydrophobicContact CZ-CD2 4.46Å; F97-Y215 AromaticContact CZ-CE1 3.45Å; F97-Y215 HydrophobicContact CZ-CE1 3.45Å; F97-Y215 VanDerWaalsContact CZ-CE1 3.45Å; F97-Y215 AromaticContact CZ-CE2 3.85Å; F97-Y215 HydrophobicContact CZ-CE2 3.85Å; F97-Y215 AromaticContact CZ-CZ 3.29Å; F97-Y215 WeakPolarHBondContact CZ-OH 3.19Å; L179-Y215 HydrophobicContact CD2-CD1 3.99Å; L179-Y215 HydrophobicContact CD2-CG 4.21Å; L179-Y215 HydrophobicContact CG-CD1 3.96Å; L179-Y215 HydrophobicContact CG-CG 4.25Å; V180-Y215 VanDerWaalsContact C-CD1 3.5Å; V180-Y215 CarbonylContact O-C 3.58Å; V180-Y215 WeakPolarHBondContact O-CA 3.22Å; V180-Y215 WeakPolarHBondContact O-CB 3.29Å; V180-Y215 WeakPolarHBondContact O-CD1 3.44Å; N213-Y215 WeakPolarHBondContact O-CD2 3.32Å; N213-Y215 PolarHBondContact O-N 3.3Å; N213-Y215 WeakPolarHBondContact OD1-CA 3.31Å; N213-Y215 WeakPolarHBondContact OD1-CB 3.47Å; N213-Y215 PolarHBondContact OD1-N 2.84Å; N213-Y215 PolarHBondContact OD1-O 2.92Å
216I98.1Very high96.4Very high0 Ų010.3 Ų10.30%06%0.055CC..EExtended strand (participates in β ladder)trans-119.3123.4175.6-57.1-57.6000107.3W170 V180 W182 F185 I208 D209 E220 F221W170-I216 HydrophobicContact CZ3-CG2 4.4Å; V180-I216 PolarHBondContact N-O 3.36Å; V180-I216 PolarHBondContact O-N 2.82Å; W182-I216 HydrophobicContact CE3-CD1 3.94Å; W182-I216 HydrophobicContact CE3-CG1 3.89Å; W182-I216 HydrophobicContact CZ3-CD1 4.38Å; W182-I216 HydrophobicContact CZ3-CG1 4.46Å; F185-I216 HydrophobicContact CB-CB 4.32Å; F185-I216 HydrophobicContact CB-CG1 4.1Å; F185-I216 HydrophobicContact CD1-CB 4.4Å; F185-I216 HydrophobicContact CD1-CG1 3.83Å; F185-I216 HydrophobicContact CD1-CG2 4.47Å; F185-I216 HydrophobicContact CD2-CB 4.06Å; F185-I216 HydrophobicContact CD2-CG1 4.38Å; F185-I216 HydrophobicContact CD2-CG2 3.9Å; F185-I216 HydrophobicContact CE1-CG1 4.39Å; F185-I216 HydrophobicContact CE1-CG2 4.47Å; F185-I216 HydrophobicContact CE2-CG2 3.91Å; F185-I216 HydrophobicContact CG-CB 3.98Å; F185-I216 HydrophobicContact CG-CG1 3.83Å; F185-I216 HydrophobicContact CG-CG2 4.2Å; F185-I216 HydrophobicContact CZ-CG2 4.21Å; I208-I216 HydrophobicContact CB-CD1 4.04Å; I208-I216 HydrophobicContact CG2-CD1 3.75Å; I208-I216 HydrophobicContact CG2-CG1 4.38Å; I208-I216 HydrophobicContact CG2-CG2 3.85Å; D209-I216 HydrophobicContact CB-CD1 3.78Å; I216-E220 WeakPolarHBondContact CA-OE2 3.21Å; I216-E220 HydrophobicContact CG2-CB 4.37Å; I216-F221 HydrophobicContact CG2-CB 4.22Å
217S97.9Very high96.7Very high0 Ų09.1 Ų9.10%05%0.048CC..EExtended strand (participates in β ladder)trans-84.6156.917168.10000111.8E144 T178 F219 E220 F221E144-S217 WeakPolarHBondContact OE2-CB 3.25Å; E144-S217 PolarHBondContact OE2-OG 3.48Å; T178-S217 CarbonylContact O-C 3.54Å; T178-S217 WeakPolarHBondContact O-CA 3.26Å; S217-F219 PolarHBondContact O-N 3.15Å; S217-F219 PolarHBondContact OG-N 2.78Å; S217-E220 PolarHBondContact N-OE2 3.45Å; S217-E220 PolarHBondContact O-N 3.47Å; S217-E220 WeakPolarHBondContact OG-CG 3.37Å; S217-E220 PolarHBondContact OG-N 3.17Å; S217-F221 WeakPolarHBondContact O-CB 3.38Å; S217-F221 PolarHBondContact O-N 3.04Å
218N97.9Very high96.8Very high5 Ų58.1 Ų8.13%0.0274%0.041CC..Hα-helixtrans-50.6-35.5165.956.3-3.8000111.7E148 F159 I161 W170 T178 D222E148-N218 PolarHBondContact OE1-ND2 2.9Å; E148-N218 PolarHBondContact OE1-OD1 2.68Å; F159-N218 VanDerWaalsContact CB-ND2 3.28Å; F159-N218 WeakPolarHBondContact CB-ND2 3.22Å; F159-N218 HydrophobicContact CD1-CB 3.99Å; F159-N218 HydrophobicContact CE1-CB 4.35Å; F159-N218 WeakPolarHBondContact CG-ND2 3.29Å; I161-N218 HydrophobicContact CD1-CB 4.46Å; W170-N218 HydrophobicContact CD2-CB 4.33Å; W170-N218 HydrophobicContact CH2-CB 4.33Å; W170-N218 VanDerWaalsContact CH2-N 3.3Å; W170-N218 HydrophobicContact CZ2-CB 3.75Å; T178-N218 PolarHBondContact O-N 2.86Å; T178-N218 PolarHBondContact O-OD1 3.19Å; N218-D222 WeakPolarHBondContact O-CB 3.41Å; N218-D222 PolarHBondContact O-N 2.96Å
219F97.9Very high96.6Very high12 Ų129.8 Ų9.85%0.0535%0.049CC..Hα-helixtrans-67.9-49175.6170.9-91000112.8A143 E144 A147 F159 S217 F221 D222 V223 L280A143-F219 HydrophobicContact CB-CZ 4.07Å; E144-F219 HydrophobicContact CB-CD1 3.58Å; E144-F219 HydrophobicContact CB-CE1 3.74Å; E144-F219 HydrophobicContact CB-CG 4.17Å; E144-F219 HydrophobicContact CB-CZ 4.44Å; E144-F219 HydrophobicContact CG-CB 3.98Å; E144-F219 HydrophobicContact CG-CD1 3.57Å; E144-F219 HydrophobicContact CG-CE1 4.26Å; E144-F219 HydrophobicContact CG-CG 3.88Å; A147-F219 HydrophobicContact CB-CD2 3.52Å; A147-F219 HydrophobicContact CB-CE2 3.74Å; A147-F219 HydrophobicContact CB-CG 4.45Å; F159-F219 HydrophobicContact CE2-CB 4.01Å; F159-F219 AromaticContact CE2-CD2 3.98Å; F159-F219 HydrophobicContact CE2-CD2 3.98Å; F159-F219 HydrophobicContact CZ-CB 3.91Å; F159-F219 HydrophobicContact CZ-CD2 4.06Å; F159-F219 HydrophobicContact CZ-CG 4.48Å; S217-F219 PolarHBondContact O-N 3.15Å; S217-F219 PolarHBondContact OG-N 2.78Å; F219-F221 VanDerWaalsContact C-N 3.28Å; F219-F221 PolarHBondContact O-N 3.16Å; F219-D222 WeakPolarHBondContact O-CB 3.36Å; F219-D222 PolarHBondContact O-N 3.1Å; F219-V223 HydrophobicContact CD1-CG2 4.41Å; F219-V223 HydrophobicContact CE1-CG2 4Å; F219-V223 HydrophobicContact CE2-CG2 4.34Å; F219-V223 HydrophobicContact CZ-CG2 3.96Å; F219-V223 WeakPolarHBondContact O-CG2 3.21Å; F219-V223 PolarHBondContact O-N 3.2Å; F219-L280 HydrophobicContact CE1-CD1 4.14Å; F219-L280 HydrophobicContact CZ-CD1 3.74Å
220E98.2Very high96.4Very high1 Ų110.9 Ų10.91%0.0056%0.057CC..Hα-helixtrans-61.3-40.9176.6-78.2174.9138.700111L210 T211 I216 S217 V223 F224L210-E220 WeakPolarHBondContact CA-OE1 3.45Å; L210-E220 HydrophobicContact CB-CG 4.18Å; L210-E220 HydrophobicContact CD1-CG 4.37Å; L210-E220 HydrophobicContact CG-CG 4.33Å; L210-E220 PolarHBondContact N-OE1 3.08Å; T211-E220 WeakPolarHBondContact CG2-OE1 3.34Å; T211-E220 PolarHBondContact N-OE1 3.28Å; T211-E220 PolarHBondContact OG1-OE1 3Å; I216-E220 WeakPolarHBondContact CA-OE2 3.21Å; I216-E220 HydrophobicContact CG2-CB 4.37Å; S217-E220 PolarHBondContact N-OE2 3.45Å; S217-E220 PolarHBondContact O-N 3.47Å; S217-E220 WeakPolarHBondContact OG-CG 3.37Å; S217-E220 PolarHBondContact OG-N 3.17Å; E220-V223 PolarHBondContact O-N 2.76Å; E220-F224 WeakPolarHBondContact O-CB 3.15Å; E220-F224 PolarHBondContact O-N 2.99Å
221F98.4Very high96.4Very high0 Ų011.8 Ų11.80%06%0.059CC..Hα-helixtrans-65-41.4174.8179.1-117.2000112.8I161 A166 F169 W170 F185 I216 S217 F219 F224 T225 W231I161-F221 HydrophobicContact CD1-CD1 3.99Å; I161-F221 HydrophobicContact CD1-CE1 4.35Å; A166-F221 HydrophobicContact CB-CE1 3.8Å; A166-F221 HydrophobicContact CB-CZ 3.98Å; A166-F221 WeakPolarHBondContact O-CE1 3.48Å; F169-F221 AromaticContact CD1-CE1 3.88Å; F169-F221 HydrophobicContact CD1-CE1 3.88Å; F169-F221 HydrophobicContact CD1-CE2 4.26Å; F169-F221 AromaticContact CD1-CZ 3.43Å; F169-F221 HydrophobicContact CD1-CZ 3.43Å; F169-F221 VanDerWaalsContact CD1-CZ 3.43Å; F169-F221 HydrophobicContact CE1-CE1 4.43Å; F169-F221 HydrophobicContact CE1-CE2 4.22Å; F169-F221 AromaticContact CE1-CZ 3.83Å; F169-F221 HydrophobicContact CE1-CZ 3.83Å; F169-F221 HydrophobicContact CG-CZ 4.45Å; W170-F221 HydrophobicContact CB-CD1 4.43Å; W170-F221 HydrophobicContact CB-CE1 4.19Å; W170-F221 HydrophobicContact CD2-CD1 4.26Å; W170-F221 HydrophobicContact CE3-CB 4Å; W170-F221 AromaticContact CE3-CD1 3.43Å; W170-F221 HydrophobicContact CE3-CD1 3.43Å; W170-F221 VanDerWaalsContact CE3-CD1 3.43Å; W170-F221 HydrophobicContact CE3-CE1 4.03Å; W170-F221 AromaticContact CE3-CG 3.81Å; W170-F221 HydrophobicContact CE3-CG 3.81Å; W170-F221 HydrophobicContact CZ3-CB 3.72Å; W170-F221 HydrophobicContact CZ3-CD1 4.06Å; W170-F221 AromaticContact CZ3-CG 3.97Å; W170-F221 HydrophobicContact CZ3-CG 3.97Å; F185-F221 HydrophobicContact CE2-CB 4.42Å; F185-F221 AromaticContact CE2-CD2 3.63Å; F185-F221 HydrophobicContact CE2-CD2 3.63Å; F185-F221 HydrophobicContact CE2-CE2 4.08Å; F185-F221 HydrophobicContact CE2-CG 4.12Å; F185-F221 AromaticContact CZ-CD2 3.55Å; F185-F221 HydrophobicContact CZ-CD2 3.55Å; F185-F221 AromaticContact CZ-CE2 3.95Å; F185-F221 HydrophobicContact CZ-CE2 3.95Å; F185-F221 HydrophobicContact CZ-CG 4.42Å; I216-F221 HydrophobicContact CG2-CB 4.22Å; S217-F221 WeakPolarHBondContact O-CB 3.38Å; S217-F221 PolarHBondContact O-N 3.04Å; F219-F221 VanDerWaalsContact C-N 3.28Å; F219-F221 PolarHBondContact O-N 3.16Å; F221-F224 PolarHBondContact O-N 2.82Å; F221-T225 HydrophobicContact CD2-CG2 3.97Å; F221-T225 HydrophobicContact CE1-CG2 4.19Å; F221-T225 HydrophobicContact CE2-CG2 3.55Å; F221-T225 HydrophobicContact CG-CG2 4.47Å; F221-T225 HydrophobicContact CZ-CG2 3.69Å; F221-T225 WeakPolarHBondContact O-CB 3.39Å; F221-T225 VanDerWaalsContact O-CG2 3.31Å; F221-T225 WeakPolarHBondContact O-CG2 3.33Å; F221-T225 PolarHBondContact O-N 3.43Å; F221-T225 PolarHBondContact O-OG1 2.98Å; F221-W231 HydrophobicContact CE2-CH2 4.39Å; F221-W231 AromaticContact CE2-CZ3 3.99Å; F221-W231 HydrophobicContact CE2-CZ3 3.99Å; F221-W231 AromaticContact CZ-CH2 3.85Å; F221-W231 HydrophobicContact CZ-CH2 3.85Å; F221-W231 AromaticContact CZ-CZ3 3.54Å; F221-W231 HydrophobicContact CZ-CZ3 3.54Å
222D98.1Very high96.2Very high0 Ų015.9 Ų15.90%08%0.084CC..Hα-helixtrans-60.5-45.6173174.247.2000111.8F159 I161 T162 N218 F219 F224 T225 R226 K405F159-D222 HydrophobicContact CE1-CB 3.88Å; F159-D222 HydrophobicContact CZ-CB 4.07Å; I161-D222 HydrophobicContact CB-CB 4.47Å; I161-D222 HydrophobicContact CG1-CB 4.23Å; I161-D222 HydrophobicContact CG2-CB 4.27Å; T162-D222 WeakPolarHBondContact CB-OD1 3.35Å; T162-D222 PolarHBondContact N-OD1 2.9Å; T162-D222 PolarHBondContact OG1-OD1 3.43Å; N218-D222 WeakPolarHBondContact O-CB 3.41Å; N218-D222 PolarHBondContact O-N 2.96Å; F219-D222 WeakPolarHBondContact O-CB 3.36Å; F219-D222 PolarHBondContact O-N 3.1Å; D222-F224 PolarHBondContact O-N 3.13Å; D222-T225 PolarHBondContact O-N 2.97Å; D222-T225 PolarHBondContact O-OG1 2.84Å; D222-T225 VanDerWaalsContact O-OG1 3.11Å; D222-R226 WeakPolarHBondContact O-CG 3.36Å; D222-R226 PolarHBondContact O-N 2.84Å; D222-R226 VanDerWaalsContact O-N 3.1Å; D222-R226 IonicContact OD1-NH1 2.94Å; D222-R226 PolarHBondContact OD1-NH1 2.98Å; D222-R226 IonicContact OD2-CZ 2.79Å; D222-R226 IonicContact OD2-NH1 2.67Å; D222-R226 PolarHBondContact OD2-NH1 2.88Å; D222-R226 IonicContact OD2-NH2 3.85Å; D222-K405 IonicContact OD2-NZ 2.83Å
223V97.5Very high96.2Very high4 Ų414.8 Ų14.82%0.0248%0.077CC..Hα-helixtrans-58.6-47.2173.3167.80000111.2L210 F219 E220 R226 L227 L280L210-V223 HydrophobicContact CD1-CB 4.3Å; L210-V223 HydrophobicContact CD1-CG1 3.81Å; F219-V223 HydrophobicContact CD1-CG2 4.41Å; F219-V223 HydrophobicContact CE1-CG2 4Å; F219-V223 HydrophobicContact CE2-CG2 4.34Å; F219-V223 HydrophobicContact CZ-CG2 3.96Å; F219-V223 WeakPolarHBondContact O-CG2 3.21Å; F219-V223 PolarHBondContact O-N 3.2Å; E220-V223 PolarHBondContact O-N 2.76Å; V223-R226 PolarHBondContact O-N 3.17Å; V223-L227 HydrophobicContact CG1-CD1 3.97Å; V223-L227 WeakPolarHBondContact O-CG 3.39Å; V223-L227 PolarHBondContact O-N 2.78Å; V223-L280 HydrophobicContact CG1-CB 4.4Å; V223-L280 HydrophobicContact CG2-CB 3.9Å
224F98.1Very high96.2Very high3 Ų314.2 Ų14.21%0.0137%0.073CC..Hα-helixtrans-61.7-47.6-179.5178.1-109000112.3L204 T207 I208 E220 F221 D222 R226 L227 F228 L234 L235 W238L204-F224 HydrophobicContact CD1-CE2 4.01Å; L204-F224 HydrophobicContact CD1-CZ 3.67Å; T207-F224 HydrophobicContact CG2-CD2 4.39Å; T207-F224 HydrophobicContact CG2-CE2 4.26Å; I208-F224 HydrophobicContact CD1-CD1 3.91Å; I208-F224 HydrophobicContact CD1-CD2 4.21Å; I208-F224 HydrophobicContact CD1-CE1 3.81Å; I208-F224 HydrophobicContact CD1-CE2 4.12Å; I208-F224 HydrophobicContact CD1-CG 4.11Å; I208-F224 HydrophobicContact CD1-CZ 3.94Å; I208-F224 HydrophobicContact CG1-CB 4.4Å; I208-F224 HydrophobicContact CG1-CD1 4.11Å; I208-F224 HydrophobicContact CG1-CD2 3.56Å; I208-F224 HydrophobicContact CG1-CE1 4.24Å; I208-F224 HydrophobicContact CG1-CE2 3.73Å; I208-F224 HydrophobicContact CG1-CG 3.77Å; I208-F224 HydrophobicContact CG1-CZ 4.08Å; I208-F224 HydrophobicContact CG2-CB 4.24Å; I208-F224 HydrophobicContact CG2-CG 4.42Å; E220-F224 WeakPolarHBondContact O-CB 3.15Å; E220-F224 PolarHBondContact O-N 2.99Å; F221-F224 PolarHBondContact O-N 2.82Å; D222-F224 PolarHBondContact O-N 3.13Å; F224-R226 VanDerWaalsContact C-N 3.34Å; F224-R226 PolarHBondContact O-N 2.9Å; F224-L227 PolarHBondContact O-N 2.72Å; F224-F228 AromaticContact CD2-CD2 3.4Å; F224-F228 HydrophobicContact CD2-CD2 3.4Å; F224-F228 VanDerWaalsContact CD2-CD2 3.4Å; F224-F228 AromaticContact CD2-CE2 3.52Å; F224-F228 HydrophobicContact CD2-CE2 3.52Å; F224-F228 AromaticContact CE2-CD2 3.27Å; F224-F228 HydrophobicContact CE2-CD2 3.27Å; F224-F228 AromaticContact CE2-CE2 3.46Å; F224-F228 HydrophobicContact CE2-CE2 3.46Å; F224-F228 VanDerWaalsContact CE2-CE2 3.46Å; F224-F228 HydrophobicContact CE2-CG 4.29Å; F224-F228 HydrophobicContact CG-CD2 4.21Å; F224-F228 AromaticContact CZ-CD2 3.98Å; F224-F228 HydrophobicContact CZ-CD2 3.98Å; F224-F228 WeakPolarHBondContact O-CD2 3.26Å; F224-F228 PolarHBondContact O-N 2.82Å; F224-F228 VanDerWaalsContact O-N 3.16Å; F224-L234 HydrophobicContact CD1-CD1 4.29Å; F224-L234 HydrophobicContact CD1-CD2 4.07Å; F224-L234 HydrophobicContact CD1-CG 4.38Å; F224-L234 HydrophobicContact CE1-CD1 4.01Å; F224-L234 HydrophobicContact CE1-CD2 3.59Å; F224-L234 HydrophobicContact CE1-CG 3.7Å; F224-L234 HydrophobicContact CZ-CG 4.34Å; F224-L235 HydrophobicContact CE1-CD2 4.24Å; F224-L235 HydrophobicContact CZ-CD2 3.97Å; F224-W238 HydrophobicContact CE2-CB 4.37Å; F224-W238 AromaticContact CE2-CD1 3.92Å; F224-W238 HydrophobicContact CE2-CG 4.2Å; F224-W238 HydrophobicContact CZ-CB 4.27Å; F224-W238 HydrophobicContact CZ-CG 4.35Å
225T97.2Very high96.2Very high3 Ų314 Ų142%0.0187%0.072CC..Hα-helixtrans-67.6-33-177.6540000112.7A166 F221 D222 Q229 W231 L234A166-T225 HydrophobicContact CB-CG2 3.72Å; F221-T225 HydrophobicContact CD2-CG2 3.97Å; F221-T225 HydrophobicContact CE1-CG2 4.19Å; F221-T225 HydrophobicContact CE2-CG2 3.55Å; F221-T225 HydrophobicContact CG-CG2 4.47Å; F221-T225 HydrophobicContact CZ-CG2 3.69Å; F221-T225 WeakPolarHBondContact O-CB 3.39Å; F221-T225 VanDerWaalsContact O-CG2 3.31Å; F221-T225 WeakPolarHBondContact O-CG2 3.33Å; F221-T225 PolarHBondContact O-N 3.43Å; F221-T225 PolarHBondContact O-OG1 2.98Å; D222-T225 PolarHBondContact O-N 2.97Å; D222-T225 PolarHBondContact O-OG1 2.84Å; D222-T225 VanDerWaalsContact O-OG1 3.11Å; T225-Q229 WeakPolarHBondContact O-CB 3.48Å; T225-Q229 PolarHBondContact O-N 3.41Å; T225-Q229 VanDerWaalsContact O-N 3.15Å; T225-W231 HydrophobicContact CG2-CE3 4.22Å; T225-W231 HydrophobicContact CG2-CZ3 4.01Å; T225-L234 HydrophobicContact CG2-CD1 4.26Å; T225-L234 HydrophobicContact CG2-CD2 4.07Å
226R95.8Very high96.1Very high15 Ų1518 Ų186%0.0579%0.087CC..Hα-helixtrans-64.8-41.5170.1-73.4-159.4-59.9-85.2-4.2113.1T162 D222 V223 F224 Q229 L280T162-R226 HydrophobicContact CG2-CG 4.11Å; T162-R226 PolarHBondContact OG1-NH1 2.96Å; D222-R226 WeakPolarHBondContact O-CG 3.36Å; D222-R226 PolarHBondContact O-N 2.84Å; D222-R226 VanDerWaalsContact O-N 3.1Å; D222-R226 IonicContact OD1-NH1 2.94Å; D222-R226 PolarHBondContact OD1-NH1 2.98Å; D222-R226 IonicContact OD2-CZ 2.79Å; D222-R226 IonicContact OD2-NH1 2.67Å; D222-R226 PolarHBondContact OD2-NH1 2.88Å; D222-R226 IonicContact OD2-NH2 3.85Å; V223-R226 PolarHBondContact O-N 3.17Å; F224-R226 VanDerWaalsContact C-N 3.34Å; F224-R226 PolarHBondContact O-N 2.9Å; R226-Q229 PolarHBondContact O-NE2 3.14Å; R226-L280 PolarHBondContact NH2-O 2.74Å
227L96.5Very high95.9Very high9 Ų918.2 Ų18.25%0.0479%0.088CC..Hα-helixtrans-65.9-41.2-178-73.4165.8000112.3V223 F224 L275 W283V223-L227 HydrophobicContact CG1-CD1 3.97Å; V223-L227 WeakPolarHBondContact O-CG 3.39Å; V223-L227 PolarHBondContact O-N 2.78Å; F224-L227 PolarHBondContact O-N 2.72Å; L227-L275 HydrophobicContact CD1-CD2 3.96Å; L227-L275 HydrophobicContact CD1-CG 4.06Å; L227-L275 HydrophobicContact CD2-CG 4.4Å; L227-W283 HydrophobicContact CB-CZ2 4.08Å; L227-W283 HydrophobicContact CD2-CD2 4.01Å; L227-W283 HydrophobicContact CD2-CG 4.22Å; L227-W283 HydrophobicContact CD2-CZ2 4.15Å; L227-W283 PolarHBondContact O-NE1 2.79Å
228F96.2Very high95.9Very high1 Ų118.2 Ų18.20%0.0049%0.088CC..Hα-helixtrans-112.315.3-169.1-57-71.9000114.4T207 F224 L234 N237 W238 L241 A242 W283T207-F228 HydrophobicContact CG2-CE2 3.91Å; T207-F228 HydrophobicContact CG2-CZ 4.07Å; F224-F228 AromaticContact CD2-CD2 3.4Å; F224-F228 HydrophobicContact CD2-CD2 3.4Å; F224-F228 VanDerWaalsContact CD2-CD2 3.4Å; F224-F228 AromaticContact CD2-CE2 3.52Å; F224-F228 HydrophobicContact CD2-CE2 3.52Å; F224-F228 AromaticContact CE2-CD2 3.27Å; F224-F228 HydrophobicContact CE2-CD2 3.27Å; F224-F228 AromaticContact CE2-CE2 3.46Å; F224-F228 HydrophobicContact CE2-CE2 3.46Å; F224-F228 VanDerWaalsContact CE2-CE2 3.46Å; F224-F228 HydrophobicContact CE2-CG 4.29Å; F224-F228 HydrophobicContact CG-CD2 4.21Å; F224-F228 AromaticContact CZ-CD2 3.98Å; F224-F228 HydrophobicContact CZ-CD2 3.98Å; F224-F228 WeakPolarHBondContact O-CD2 3.26Å; F224-F228 PolarHBondContact O-N 2.82Å; F224-F228 VanDerWaalsContact O-N 3.16Å; F228-L234 HydrophobicContact CB-CD1 3.75Å; F228-N237 HydrophobicContact CB-CB 4.29Å; F228-N237 VanDerWaalsContact O-CB 3.3Å; F228-N237 WeakPolarHBondContact O-CB 3.33Å; F228-N237 PolarHBondContact O-ND2 3.45Å; F228-N237 VanDerWaalsContact O-ND2 3.11Å; F228-W238 HydrophobicContact CB-CB 4.35Å; F228-W238 HydrophobicContact CD1-CB 3.81Å; F228-W238 HydrophobicContact CD2-CB 4.21Å; F228-W238 HydrophobicContact CE1-CB 4.1Å; F228-W238 AromaticContact CE1-CD1 3.98Å; F228-W238 HydrophobicContact CE1-CG 4.45Å; F228-W238 AromaticContact CE2-CD1 3.84Å; F228-W238 HydrophobicContact CG-CB 3.85Å; F228-W238 HydrophobicContact CZ-CB 4.45Å; F228-W238 AromaticContact CZ-CD1 3.64Å; F228-W238 HydrophobicContact CZ-CG 4.45Å; F228-L241 HydrophobicContact CD1-CB 4.48Å; F228-L241 HydrophobicContact CD1-CD1 4.17Å; F228-L241 HydrophobicContact CE1-CB 4.18Å; F228-A242 HydrophobicContact CE1-CB 3.94Å; F228-A242 HydrophobicContact CZ-CB 3.95Å; F228-W283 AromaticContact CD1-CZ2 3.99Å; F228-W283 HydrophobicContact CD1-CZ2 3.99Å; F228-W283 AromaticContact CE1-CH2 3.7Å; F228-W283 HydrophobicContact CE1-CH2 3.7Å; F228-W283 AromaticContact CE1-CZ2 3.43Å; F228-W283 HydrophobicContact CE1-CZ2 3.43Å; F228-W283 VanDerWaalsContact CE1-CZ2 3.43Å; F228-W283 AromaticContact CZ-CH2 3.91Å; F228-W283 HydrophobicContact CZ-CH2 3.91Å; F228-W283 AromaticContact CZ-CZ2 3.83Å; F228-W283 HydrophobicContact CZ-CZ2 3.83Å
229Q93.1Very high95.7Very high36 Ų3620.5 Ų20.517%0.16810%0.099CC..  trans-48.3154.2174.769.4-176.4-67.500113.8T225 R226 N237T225-Q229 WeakPolarHBondContact O-CB 3.48Å; T225-Q229 PolarHBondContact O-N 3.41Å; T225-Q229 VanDerWaalsContact O-N 3.15Å; R226-Q229 PolarHBondContact O-NE2 3.14Å; Q229-N237 PolarHBondContact O-ND2 3.11Å
230P92.1Very high95.6Very high27 Ų2720.3 Ų20.318%0.17510%0.098CC..  cis-75.5167.20.232-37.2000113.6T232 S233 L234P230-T232 VanDerWaalsContact C-N 3.34Å; P230-T232 PolarHBondContact O-N 2.94Å; P230-S233 WeakPolarHBondContact CD-OG 3.47Å; P230-S233 WeakPolarHBondContact CG-OG 3.44Å; P230-S233 PolarHBondContact O-N 3.11Å; P230-L234 PolarHBondContact O-N 3.41Å
231W93.8Very high95.5Very high38 Ų3820.4 Ų20.414%0.14410%0.098CC..G310 helixtrans-54.4-46.9179.5176-109.9000112.5D165 A166 F169 L189 V192 H193 F221 T225 S233 L234D165-W231 HydrophobicContact CB-CB 3.85Å; D165-W231 HydrophobicContact CB-CD2 4.21Å; D165-W231 HydrophobicContact CB-CG 3.6Å; A166-W231 HydrophobicContact CB-CE3 4.02Å; A166-W231 HydrophobicContact CB-CZ3 4.1Å; F169-W231 HydrophobicContact CB-CH2 3.71Å; F169-W231 HydrophobicContact CB-CZ2 3.61Å; F169-W231 AromaticContact CD1-CH2 3.71Å; F169-W231 HydrophobicContact CD1-CH2 3.71Å; F169-W231 HydrophobicContact CD1-CZ2 4.36Å; F169-W231 AromaticContact CD2-CH2 3.93Å; F169-W231 HydrophobicContact CD2-CH2 3.93Å; F169-W231 AromaticContact CD2-CZ2 3.84Å; F169-W231 HydrophobicContact CD2-CZ2 3.84Å; F169-W231 HydrophobicContact CE1-CH2 4.32Å; F169-W231 AromaticContact CG-CH2 3.48Å; F169-W231 HydrophobicContact CG-CH2 3.48Å; F169-W231 VanDerWaalsContact CG-CH2 3.48Å; F169-W231 AromaticContact CG-CZ2 3.67Å; F169-W231 HydrophobicContact CG-CZ2 3.67Å; L189-W231 HydrophobicContact CD1-CH2 4.37Å; V192-W231 HydrophobicContact CG1-CZ2 3.93Å; H193-W231 PolarHBondContact CE1-O 3.2Å; H193-W231 AromaticContact NE2-CD2 3.68Å; H193-W231 AromaticContact NE2-CE2 3.43Å; H193-W231 AromaticContact NE2-CE3 3.97Å; H193-W231 AromaticContact NE2-CH2 3.79Å; H193-W231 AromaticContact NE2-CZ2 3.51Å; H193-W231 AromaticContact NE2-NE1 3.94Å; H193-W231 PolarHBondContact NE2-O 3.36Å; F221-W231 HydrophobicContact CE2-CH2 4.39Å; F221-W231 AromaticContact CE2-CZ3 3.99Å; F221-W231 HydrophobicContact CE2-CZ3 3.99Å; F221-W231 AromaticContact CZ-CH2 3.85Å; F221-W231 HydrophobicContact CZ-CH2 3.85Å; F221-W231 AromaticContact CZ-CZ3 3.54Å; F221-W231 HydrophobicContact CZ-CZ3 3.54Å; T225-W231 HydrophobicContact CG2-CE3 4.22Å; T225-W231 HydrophobicContact CG2-CZ3 4.01Å; W231-S233 PolarHBondContact O-N 3.13Å; W231-L234 HydrophobicContact CE3-CD2 3.86Å; W231-L234 HydrophobicContact CZ3-CD2 3.67Å; W231-L234 VanDerWaalsContact O-CB 3.26Å; W231-L234 WeakPolarHBondContact O-CB 3.37Å; W231-L234 PolarHBondContact O-N 3.4Å
232T92.5Very high95.2Very high87 Ų8720.5 Ų20.553%0.53410%0.1SC..G310 helixtrans-54.2-29.5-178.748.90000114.7P230 Q334P230-T232 VanDerWaalsContact C-N 3.34Å; P230-T232 PolarHBondContact O-N 2.94Å; T232-Q334 PolarHBondContact OG1-OE1 3.48Å
233S93.2Very high94.9Very high8 Ų821.1 Ų21.16%0.05610%0.103CC..G310 helixtrans-119.219.9-17963.10000113P230 W231 L235 R236 N237P230-S233 WeakPolarHBondContact CD-OG 3.47Å; P230-S233 WeakPolarHBondContact CG-OG 3.44Å; P230-S233 PolarHBondContact O-N 3.11Å; W231-S233 PolarHBondContact O-N 3.13Å; S233-L235 PolarHBondContact O-N 3.15Å; S233-R236 WeakPolarHBondContact O-CB 3.22Å; S233-R236 PolarHBondContact O-N 3.39Å; S233-R236 VanDerWaalsContact O-N 3.12Å; S233-N237 WeakPolarHBondContact O-CB 3.45Å; S233-N237 VanDerWaalsContact O-CG 3.28Å; S233-N237 PolarHBondContact O-N 3.18Å; S233-N237 PolarHBondContact OG-ND2 2.81Å; S233-N237 PolarHBondContact OG-OD1 3.03Å
234L95.5Very high94.7Very high0 Ų021.6 Ų21.60%011%0.106CC..Hα-helixtrans-50.2-58.4-169.4-176.770.2000113.5F224 T225 F228 P230 W231 R236 N237 W238F224-L234 HydrophobicContact CD1-CD1 4.29Å; F224-L234 HydrophobicContact CD1-CD2 4.07Å; F224-L234 HydrophobicContact CD1-CG 4.38Å; F224-L234 HydrophobicContact CE1-CD1 4.01Å; F224-L234 HydrophobicContact CE1-CD2 3.59Å; F224-L234 HydrophobicContact CE1-CG 3.7Å; F224-L234 HydrophobicContact CZ-CG 4.34Å; T225-L234 HydrophobicContact CG2-CD1 4.26Å; T225-L234 HydrophobicContact CG2-CD2 4.07Å; F228-L234 HydrophobicContact CB-CD1 3.75Å; P230-L234 PolarHBondContact O-N 3.41Å; W231-L234 HydrophobicContact CE3-CD2 3.86Å; W231-L234 HydrophobicContact CZ3-CD2 3.67Å; W231-L234 VanDerWaalsContact O-CB 3.26Å; W231-L234 WeakPolarHBondContact O-CB 3.37Å; W231-L234 PolarHBondContact O-N 3.4Å; L234-R236 PolarHBondContact O-N 3.22Å; L234-N237 PolarHBondContact O-N 2.97Å; L234-W238 PolarHBondContact O-N 2.83Å
235L95.5Very high94.6Very high9 Ų922 Ų225%0.04711%0.108CC..Hα-helixtrans-69.6-33-179.1-65.5-167000112.7L189 H193 I195 L204 F224 S233 W238 Q239L189-L235 HydrophobicContact CD2-CD2 4.34Å; H193-L235 HydrophobicContact CB-CD1 3.52Å; H193-L235 HydrophobicContact CB-CG 3.71Å; H193-L235 WeakPolarHBondContact O-CD1 3.39Å; I195-L235 HydrophobicContact CG1-CD1 3.94Å; L204-L235 HydrophobicContact CD1-CD2 3.73Å; L204-L235 HydrophobicContact CD2-CD1 4.34Å; L204-L235 HydrophobicContact CD2-CD2 3.82Å; L204-L235 HydrophobicContact CG-CD2 4.46Å; F224-L235 HydrophobicContact CE1-CD2 4.24Å; F224-L235 HydrophobicContact CZ-CD2 3.97Å; S233-L235 PolarHBondContact O-N 3.15Å; L235-W238 PolarHBondContact O-N 3.37Å; L235-Q239 VanDerWaalsContact O-CG 3.32Å; L235-Q239 WeakPolarHBondContact O-CG 3.23Å; L235-Q239 PolarHBondContact O-N 2.78Å
236R94.2Very high94.6Very high120 Ų12022.8 Ų22.845%0.45311%0.113SC..Hα-helixtrans-63.3-44.8175.2-174.7179.2-177.2-175.1-2.5110.7S233 L234 W238 Q239 I240S233-R236 WeakPolarHBondContact O-CB 3.22Å; S233-R236 PolarHBondContact O-N 3.39Å; S233-R236 VanDerWaalsContact O-N 3.12Å; L234-R236 PolarHBondContact O-N 3.22Å; R236-W238 VanDerWaalsContact C-N 3.35Å; R236-Q239 PolarHBondContact O-N 3.34Å; R236-I240 HydrophobicContact CG-CD1 4Å; R236-I240 WeakPolarHBondContact O-CD1 3.38Å; R236-I240 WeakPolarHBondContact O-CG1 3.39Å; R236-I240 PolarHBondContact O-N 3.19Å
237N95.2Very high94.6Very high4 Ų422.1 Ų22.12%0.02111%0.111CC..Hα-helixtrans-65.8-39.4177.3-70.3-9000111.5F228 Q229 S233 L234 I240 L241 I305F228-N237 HydrophobicContact CB-CB 4.29Å; F228-N237 VanDerWaalsContact O-CB 3.3Å; F228-N237 WeakPolarHBondContact O-CB 3.33Å; F228-N237 PolarHBondContact O-ND2 3.45Å; F228-N237 VanDerWaalsContact O-ND2 3.11Å; Q229-N237 PolarHBondContact O-ND2 3.11Å; S233-N237 WeakPolarHBondContact O-CB 3.45Å; S233-N237 VanDerWaalsContact O-CG 3.28Å; S233-N237 PolarHBondContact O-N 3.18Å; S233-N237 PolarHBondContact OG-ND2 2.81Å; S233-N237 PolarHBondContact OG-OD1 3.03Å; L234-N237 PolarHBondContact O-N 2.97Å; N237-I240 PolarHBondContact O-N 2.96Å; N237-L241 WeakPolarHBondContact O-CB 3.19Å; N237-L241 WeakPolarHBondContact O-CG 3.26Å; N237-L241 PolarHBondContact O-N 3.2Å; N237-I305 HydrophobicContact CB-CD1 4.24Å; N237-I305 WeakPolarHBondContact OD1-CD1 3.15Å
238W96.3Very high94.7Very high1 Ų123.4 Ų23.40%0.00412%0.115CC..Hα-helixtrans-58-49.2171.1166.577.1000112.4E200 A203 L204 T207 F224 F228 L234 L235 R236 I240 L241 A242 V243E200-W238 HydrophobicContact CG-CH2 4.05Å; E200-W238 HydrophobicContact CG-CZ3 3.84Å; A203-W238 HydrophobicContact CB-CH2 4.2Å; A203-W238 HydrophobicContact CB-CZ2 4.13Å; L204-W238 HydrophobicContact CB-CH2 3.92Å; L204-W238 HydrophobicContact CB-CZ2 4.04Å; L204-W238 HydrophobicContact CB-CZ3 4.37Å; L204-W238 HydrophobicContact CD1-CD2 3.79Å; L204-W238 HydrophobicContact CD1-CE3 3.99Å; L204-W238 HydrophobicContact CD1-CG 4.26Å; L204-W238 HydrophobicContact CD1-CH2 4.35Å; L204-W238 HydrophobicContact CD1-CZ2 4.15Å; L204-W238 HydrophobicContact CD1-CZ3 4.27Å; T207-W238 PolarHBondContact OG1-NE1 3.05Å; F224-W238 HydrophobicContact CE2-CB 4.37Å; F224-W238 AromaticContact CE2-CD1 3.92Å; F224-W238 HydrophobicContact CE2-CG 4.2Å; F224-W238 HydrophobicContact CZ-CB 4.27Å; F224-W238 HydrophobicContact CZ-CG 4.35Å; F228-W238 HydrophobicContact CB-CB 4.35Å; F228-W238 HydrophobicContact CD1-CB 3.81Å; F228-W238 HydrophobicContact CD2-CB 4.21Å; F228-W238 HydrophobicContact CE1-CB 4.1Å; F228-W238 AromaticContact CE1-CD1 3.98Å; F228-W238 HydrophobicContact CE1-CG 4.45Å; F228-W238 AromaticContact CE2-CD1 3.84Å; F228-W238 HydrophobicContact CG-CB 3.85Å; F228-W238 HydrophobicContact CZ-CB 4.45Å; F228-W238 AromaticContact CZ-CD1 3.64Å; F228-W238 HydrophobicContact CZ-CG 4.45Å; L234-W238 PolarHBondContact O-N 2.83Å; L235-W238 PolarHBondContact O-N 3.37Å; R236-W238 VanDerWaalsContact C-N 3.35Å; W238-I240 VanDerWaalsContact C-N 3.33Å; W238-I240 PolarHBondContact O-N 2.94Å; W238-L241 PolarHBondContact O-N 2.89Å; W238-A242 WeakPolarHBondContact O-CA 3.29Å; W238-A242 WeakPolarHBondContact O-CB 3.47Å; W238-A242 PolarHBondContact O-N 3.45Å; W238-V243 HydrophobicContact CD2-CG2 4.43Å; W238-V243 HydrophobicContact CH2-CG2 3.98Å; W238-V243 HydrophobicContact CZ2-CG2 3.73Å; W238-V243 HydrophobicContact CZ3-CG2 4.43Å
239Q94.2Very high94.5Very high53 Ų5324 Ų2425%0.24812%0.119CC..Iπ-helixtrans-60.2-43176.1-69.8171.1-7.400111.9E200 L235 R236 V243 T244E200-Q239 PolarHBondContact OE1-NE2 3.04Å; L235-Q239 VanDerWaalsContact O-CG 3.32Å; L235-Q239 WeakPolarHBondContact O-CG 3.23Å; L235-Q239 PolarHBondContact O-N 2.78Å; R236-Q239 PolarHBondContact O-N 3.34Å; Q239-V243 WeakPolarHBondContact O-CB 3.45Å; Q239-V243 PolarHBondContact O-N 3.4Å; Q239-T244 WeakPolarHBondContact O-CB 3.49Å; Q239-T244 WeakPolarHBondContact O-CG2 3.45Å; Q239-T244 PolarHBondContact O-N 3.45Å; Q239-T244 PolarHBondContact O-OG1 2.84Å
240I95.3Very high94.2Very high7 Ų723.2 Ų23.24%0.03612%0.119CC..Iπ-helixtrans-60.6-58177.9-69.3164.6000109.8R236 N237 W238 T244 H245 L329 W331 A332R236-I240 HydrophobicContact CG-CD1 4Å; R236-I240 WeakPolarHBondContact O-CD1 3.38Å; R236-I240 WeakPolarHBondContact O-CG1 3.39Å; R236-I240 PolarHBondContact O-N 3.19Å; N237-I240 PolarHBondContact O-N 2.96Å; W238-I240 VanDerWaalsContact C-N 3.33Å; W238-I240 PolarHBondContact O-N 2.94Å; I240-T244 VanDerWaalsContact CA-OG1 3.25Å; I240-T244 WeakPolarHBondContact CA-OG1 3.49Å; I240-T244 PolarHBondContact O-N 3.08Å; I240-T244 PolarHBondContact O-OG1 3.48Å; I240-H245 VanDerWaalsContact O-CB 3.26Å; I240-H245 WeakPolarHBondContact O-CB 3.45Å; I240-H245 PolarHBondContact O-N 3.41Å; I240-L329 HydrophobicContact CG2-CD2 3.67Å; I240-W331 HydrophobicContact CD1-CH2 3.38Å; I240-W331 HydrophobicContact CD1-CZ2 4.3Å; I240-W331 HydrophobicContact CD1-CZ3 3.61Å; I240-W331 HydrophobicContact CG1-CH2 3.68Å; I240-W331 HydrophobicContact CG1-CZ2 4.45Å; I240-W331 HydrophobicContact CG1-CZ3 4.37Å; I240-A332 HydrophobicContact CD1-CB 3.56Å
241L96.1Very high93.6Very high3 Ų326.3 Ų26.32%0.01613%0.129CC..Iπ-helixtrans-78.9-49.9-169.1-64.9172.3000112.9F228 N237 W238 H245 Y248 F273 W283 L304 I305 L308F228-L241 HydrophobicContact CD1-CB 4.48Å; F228-L241 HydrophobicContact CD1-CD1 4.17Å; F228-L241 HydrophobicContact CE1-CB 4.18Å; N237-L241 WeakPolarHBondContact O-CB 3.19Å; N237-L241 WeakPolarHBondContact O-CG 3.26Å; N237-L241 PolarHBondContact O-N 3.2Å; W238-L241 PolarHBondContact O-N 2.89Å; L241-H245 WeakPolarHBondContact O-CB 3Å; L241-Y248 VanDerWaalsContact O-CB 3.26Å; L241-Y248 WeakPolarHBondContact O-CB 3.38Å; L241-F273 HydrophobicContact CB-CE2 4.46Å; L241-F273 HydrophobicContact CB-CZ 4.48Å; L241-F273 HydrophobicContact CD2-CZ 4.09Å; L241-W283 HydrophobicContact CB-CH2 4.39Å; L241-W283 HydrophobicContact CB-CZ2 4.46Å; L241-W283 HydrophobicContact CD1-CZ2 4.13Å; L241-L304 HydrophobicContact CD1-CB 4.14Å; L241-L304 HydrophobicContact CD1-CD2 4.19Å; L241-L304 HydrophobicContact CD1-CG 4.5Å; L241-L304 HydrophobicContact CD2-CD2 3.9Å; L241-L304 HydrophobicContact CD2-CG 4.17Å; L241-I305 HydrophobicContact CD1-CG1 4.14Å; L241-I305 HydrophobicContact CD2-CG1 3.93Å; L241-I305 HydrophobicContact CG-CG1 4.17Å; L241-L308 HydrophobicContact CD2-CD1 4.11Å
242A93.6Very high93.2Very high3 Ų326 Ų263%0.02513%0.13CC..Iπ-helixtrans-92.5-21.3-169.500000113.9K13 F228 W238 Y248K13-A242 WeakPolarHBondContact CE-O 3.32Å; F228-A242 HydrophobicContact CE1-CB 3.94Å; F228-A242 HydrophobicContact CZ-CB 3.95Å; W238-A242 WeakPolarHBondContact O-CA 3.29Å; W238-A242 WeakPolarHBondContact O-CB 3.47Å; W238-A242 PolarHBondContact O-N 3.45Å; A242-Y248 HydrophobicContact CB-CD1 4.36Å; A242-Y248 HydrophobicContact CB-CE1 3.98Å; A242-Y248 WeakPolarHBondContact O-CD1 3.31Å; A242-Y248 VanDerWaalsContact O-CE1 3.26Å; A242-Y248 WeakPolarHBondContact O-CE1 3.39Å
243V91.7Very high92.9Very high13 Ų1322.5 Ų22.58%0.07911%0.109CC..Iπ-helixtrans-104.8-42.3-178.7-175.50000111.7L6 R9 L10 W238 Q239L6-V243 HydrophobicContact CD1-CG1 3.82Å; R9-V243 HydrophobicContact CB-CG1 4.08Å; R9-V243 WeakPolarHBondContact CD-O 3.3Å; L10-V243 HydrophobicContact CD2-CG1 3.89Å; L10-V243 HydrophobicContact CD2-CG2 4.35Å; L10-V243 HydrophobicContact CG-CG1 4.22Å; W238-V243 HydrophobicContact CD2-CG2 4.43Å; W238-V243 HydrophobicContact CH2-CG2 3.98Å; W238-V243 HydrophobicContact CZ2-CG2 3.73Å; W238-V243 HydrophobicContact CZ3-CG2 4.43Å; Q239-V243 WeakPolarHBondContact O-CB 3.45Å; Q239-V243 PolarHBondContact O-N 3.4Å
244T92.2Very high92.7Very high13 Ų1328 Ų288%0.0813%0.129CC..Iπ-helixtrans-111.5-23.4-16562.90000114.8M1 L6 R9 Q239 I240M1-T244 HydrophobicContact CE-CG2 3.72Å; M1-T244 HydrophobicContact SD-CG2 3.5Å; M1-T244 VanDerWaalsContact SD-CG2 3.5Å; L6-T244 HydrophobicContact CD1-CG2 4.06Å; R9-T244 PolarHBondContact NH1-O 3.5Å; R9-T244 PolarHBondContact NH2-O 3.12Å; Q239-T244 WeakPolarHBondContact O-CB 3.49Å; Q239-T244 WeakPolarHBondContact O-CG2 3.45Å; Q239-T244 PolarHBondContact O-N 3.45Å; Q239-T244 PolarHBondContact O-OG1 2.84Å; I240-T244 VanDerWaalsContact CA-OG1 3.25Å; I240-T244 WeakPolarHBondContact CA-OG1 3.49Å; I240-T244 PolarHBondContact O-N 3.08Å; I240-T244 PolarHBondContact O-OG1 3.48Å
245H96.3Very high92.3Very high12 Ų1230.6 Ų30.66%0.05614%0.143CC..  trans-70.8125.7-176.5-161.1-80.9000112.3I240 L241 A247 Y248 Y271 F273I240-H245 VanDerWaalsContact O-CB 3.26Å; I240-H245 WeakPolarHBondContact O-CB 3.45Å; I240-H245 PolarHBondContact O-N 3.41Å; L241-H245 WeakPolarHBondContact O-CB 3Å; H245-A247 VanDerWaalsContact C-N 3.28Å; H245-A247 WeakPolarHBondContact CE1-CB 3.41Å; H245-A247 VanDerWaalsContact ND1-CB 3.33Å; H245-A247 WeakPolarHBondContact ND1-CB 3.2Å; H245-A247 PolarHBondContact ND1-N 2.9Å; H245-A247 PolarHBondContact O-N 3.02Å; H245-Y248 PolarHBondContact O-N 3.32Å; H245-Y271 AromaticContact CE1-CE2 3.96Å; H245-Y271 AromaticContact CE1-CZ 3.93Å; H245-Y271 PolarHBondContact CE1-OH 3.15Å; H245-Y271 PolarHBondContact NE2-OH 2.63Å; H245-F273 HydrophobicContact CB-CE1 4.28Å; H245-F273 HydrophobicContact CB-CZ 3.77Å; H245-F273 AromaticContact CE1-CE1 3.57Å; H245-F273 AromaticContact CG-CE1 3.66Å; H245-F273 AromaticContact CG-CZ 3.65Å; H245-F273 AromaticContact ND1-CE1 3.15Å; H245-F273 WeakPolarHBondContact ND1-CE1 3.17Å; H245-F273 AromaticContact ND1-CZ 3.56Å
246P96.4Very high92Very high20 Ų2032.4 Ų32.413%0.1315%0.151CC..THydrogen-bonded Turntrans-70.2-19-175.524.1-30.4000115P320 N321 P327P246-P320 HydrophobicContact CB-CB 4.31Å; P246-P320 HydrophobicContact CG-CB 3.8Å; P246-P320 HydrophobicContact CG-CG 3.79Å; P246-N321 WeakPolarHBondContact O-CB 3.31Å; P246-P327 HydrophobicContact CG-CG 3.73Å
247A97.3Very high92Very high0 Ų026.7 Ų26.70%013%0.13CC..THydrogen-bonded Turntrans-84-12.7176.100000113.8H245 V249 Y271 V272 F273 P320H245-A247 VanDerWaalsContact C-N 3.28Å; H245-A247 WeakPolarHBondContact CE1-CB 3.41Å; H245-A247 VanDerWaalsContact ND1-CB 3.33Å; H245-A247 WeakPolarHBondContact ND1-CB 3.2Å; H245-A247 PolarHBondContact ND1-N 2.9Å; H245-A247 PolarHBondContact O-N 3.02Å; A247-V249 PolarHBondContact O-N 3.48Å; A247-Y271 HydrophobicContact CB-CD2 3.77Å; A247-Y271 HydrophobicContact CB-CE2 3.36Å; A247-V272 VanDerWaalsContact O-CA 3.29Å; A247-V272 WeakPolarHBondContact O-CA 3.38Å; A247-V272 WeakPolarHBondContact O-CB 3.21Å; A247-F273 HydrophobicContact CB-CD1 3.83Å; A247-F273 HydrophobicContact CB-CE1 3.86Å; A247-F273 PolarHBondContact O-N 3.48Å; A247-P320 HydrophobicContact CB-CB 3.62Å
248Y97.1Very high92Very high37 Ų3730.8 Ų30.815%0.14515%0.148CC..BIsolated β-bridgetrans-71.1129.2-179.4178.8-126.3000110.6L241 A242 H245 A250 F273 L275 W283L241-Y248 VanDerWaalsContact O-CB 3.26Å; L241-Y248 WeakPolarHBondContact O-CB 3.38Å; A242-Y248 HydrophobicContact CB-CD1 4.36Å; A242-Y248 HydrophobicContact CB-CE1 3.98Å; A242-Y248 WeakPolarHBondContact O-CD1 3.31Å; A242-Y248 VanDerWaalsContact O-CE1 3.26Å; A242-Y248 WeakPolarHBondContact O-CE1 3.39Å; H245-Y248 PolarHBondContact O-N 3.32Å; Y248-A250 HydrophobicContact CE1-CB 4.27Å; Y248-F273 WeakPolarHBondContact CA-O 3.49Å; Y248-F273 AromaticContact CD2-CD2 3.78Å; Y248-F273 HydrophobicContact CD2-CD2 3.78Å; Y248-F273 AromaticContact CD2-CE2 3.6Å; Y248-F273 HydrophobicContact CD2-CE2 3.6Å; Y248-F273 WeakPolarHBondContact CD2-O 3.3Å; Y248-F273 HydrophobicContact CG-CD2 4.47Å; Y248-F273 AromaticContact CG-CE2 3.93Å; Y248-F273 HydrophobicContact CG-CE2 3.93Å; Y248-L275 HydrophobicContact CE2-CD1 3.58Å; Y248-L275 VanDerWaalsContact OH-CD1 3.23Å; Y248-L275 WeakPolarHBondContact OH-CD1 3.39Å; Y248-W283 HydrophobicContact CD2-CZ3 4.06Å; Y248-W283 HydrophobicContact CE2-CH2 4.46Å; Y248-W283 AromaticContact CE2-CZ3 3.89Å; Y248-W283 HydrophobicContact CE2-CZ3 3.89Å
249V92.3Very high91.8Very high13 Ų1335.3 Ų35.38%0.07917%0.165CC..  trans-131.4110178-70.10000108.9A247 L252 V272 F273 R274A247-V249 PolarHBondContact O-N 3.48Å; V249-L252 HydrophobicContact CB-CD1 3.65Å; V249-L252 HydrophobicContact CB-CG 3.97Å; V249-L252 HydrophobicContact CG1-CD1 4.22Å; V249-L252 HydrophobicContact CG2-CB 4.39Å; V249-L252 HydrophobicContact CG2-CD1 3.5Å; V249-L252 HydrophobicContact CG2-CG 3.98Å; V249-V272 HydrophobicContact CG1-CB 4.38Å; V249-V272 HydrophobicContact CG1-CG1 4.24Å; V249-V272 HydrophobicContact CG2-CB 3.82Å; V249-V272 HydrophobicContact CG2-CG2 4.06Å; V249-F273 WeakPolarHBondContact CG2-O 3.21Å; V249-F273 PolarHBondContact N-O 3.22Å; V249-R274 HydrophobicContact CG2-CB 4.32Å; V249-R274 WeakPolarHBondContact O-CB 3.44Å
250A86.9Confident91.8Very high20 Ų2036.7 Ų36.717%0.16517%0.168CC..THydrogen-bonded Turntrans-73.1148.817900000110.7Y248 L252Y248-A250 HydrophobicContact CE1-CB 4.27Å; A250-L252 VanDerWaalsContact C-N 3.26Å; A250-L252 PolarHBondContact O-N 2.97Å; A250-L252 VanDerWaalsContact O-N 3.17Å
251F80.8Confident91.9Very high91 Ų9136.3 Ų36.340%0.39917%0.166SC..THydrogen-bonded Turntrans62.316.4170.3-50.2-72.8000117.1K133 L136K133-F251 HydrophobicContact CG-CD1 4.47Å; L136-F251 HydrophobicContact CD2-CD1 3.54Å; L136-F251 HydrophobicContact CD2-CE1 3.99Å
252L85.5Confident92Very high31 Ų3141 Ų4116%0.16219%0.188CC..  trans-83.4136.7177.7-63.5-166.3000112.9V249 A250 E256 V257 R274V249-L252 HydrophobicContact CB-CD1 3.65Å; V249-L252 HydrophobicContact CB-CG 3.97Å; V249-L252 HydrophobicContact CG1-CD1 4.22Å; V249-L252 HydrophobicContact CG2-CB 4.39Å; V249-L252 HydrophobicContact CG2-CD1 3.5Å; V249-L252 HydrophobicContact CG2-CG 3.98Å; A250-L252 VanDerWaalsContact C-N 3.26Å; A250-L252 PolarHBondContact O-N 2.97Å; A250-L252 VanDerWaalsContact O-N 3.17Å; L252-E256 VanDerWaalsContact CA-OE2 3.29Å; L252-E256 WeakPolarHBondContact CA-OE2 3.46Å; L252-E256 HydrophobicContact CB-CB 4.2Å; L252-E256 HydrophobicContact CD2-CB 4.02Å; L252-V257 HydrophobicContact CB-CG2 3.74Å; L252-V257 HydrophobicContact CD1-CG2 3.91Å; L252-V257 HydrophobicContact CG-CG2 4.49Å; L252-R274 WeakPolarHBondContact O-CD 3.22Å; L252-R274 PolarHBondContact O-NE 2.93Å
253T85.1Confident92.1Very high15 Ų1547.5 Ų47.59%0.09222%0.215CC..  trans-80.9174.9168.971.40000111.8D255 E256 V257 R274T253-D255 VanDerWaalsContact C-N 3.32Å; T253-D255 PolarHBondContact O-N 3.27Å; T253-E256 PolarHBondContact N-OE2 2.83Å; T253-E256 PolarHBondContact O-N 3.49Å; T253-E256 WeakPolarHBondContact OG1-CG 3.46Å; T253-E256 PolarHBondContact OG1-N 3.13Å; T253-V257 PolarHBondContact O-N 3.33Å; T253-R274 PolarHBondContact O-NH2 3.44Å
254Y88.7Confident92.4Very high123 Ų12348.6 Ų48.648%0.48222%0.219SC..Hα-helixtrans-53.9-47.8172.3-179.5-90000112.3V257 K258 R274 Q296Y254-V257 PolarHBondContact O-N 3.42Å; Y254-K258 PolarHBondContact O-N 2.82Å; Y254-K258 VanDerWaalsContact O-N 3.11Å; Y254-R274 VanDerWaalsContact CA-NH2 3.25Å; Y254-Q296 HydrophobicContact CD2-CB 4.26Å; Y254-Q296 HydrophobicContact CD2-CG 4.21Å; Y254-Q296 HydrophobicContact CE2-CB 3.89Å; Y254-Q296 VanDerWaalsContact CE2-CD 3.46Å; Y254-Q296 HydrophobicContact CE2-CG 3.9Å; Y254-Q296 PolarHBondContact O-NE2 2.9Å
255D88.2Confident92.6Very high55 Ų5550.2 Ų50.229%0.29423%0.229SC..Hα-helixtrans-70.2-35.4-178-67.6-36.3000112.6T253 K258 R259T253-D255 VanDerWaalsContact C-N 3.32Å; T253-D255 PolarHBondContact O-N 3.27Å; D255-K258 PolarHBondContact O-N 3.05Å; D255-R259 WeakPolarHBondContact O-CB 3.3Å; D255-R259 PolarHBondContact O-N 2.96Å
256E89.2Confident92.7Very high46 Ų4661.2 Ų61.222%0.21527%0.27CS..Hα-helixtrans-69.6-36.7178.1-69173.6148.700112L252 T253 R259 R260L252-E256 VanDerWaalsContact CA-OE2 3.29Å; L252-E256 WeakPolarHBondContact CA-OE2 3.46Å; L252-E256 HydrophobicContact CB-CB 4.2Å; L252-E256 HydrophobicContact CD2-CB 4.02Å; T253-E256 PolarHBondContact N-OE2 2.83Å; T253-E256 PolarHBondContact O-N 3.49Å; T253-E256 WeakPolarHBondContact OG1-CG 3.46Å; T253-E256 PolarHBondContact OG1-N 3.13Å; E256-R259 PolarHBondContact O-N 2.87Å; E256-R260 VanDerWaalsContact O-CB 3.25Å; E256-R260 WeakPolarHBondContact O-CB 3.28Å; E256-R260 PolarHBondContact O-N 2.98Å
257V93.8Very high92.8Very high0 Ų062.7 Ų62.70%027%0.274CS..Hα-helixtrans-64.2-45171.4164.20000111.4L252 T253 Y254 R259 R260 L261 V272 R274 Q296L252-V257 HydrophobicContact CB-CG2 3.74Å; L252-V257 HydrophobicContact CD1-CG2 3.91Å; L252-V257 HydrophobicContact CG-CG2 4.49Å; T253-V257 PolarHBondContact O-N 3.33Å; Y254-V257 PolarHBondContact O-N 3.42Å; V257-R259 PolarHBondContact O-N 3.21Å; V257-R260 PolarHBondContact O-N 3.19Å; V257-L261 HydrophobicContact CG1-CD1 3.93Å; V257-L261 PolarHBondContact O-N 3.22Å; V257-V272 HydrophobicContact CB-CG2 4.4Å; V257-V272 HydrophobicContact CG1-CG2 3.69Å; V257-V272 HydrophobicContact CG2-CG2 4Å; V257-R274 VanDerWaalsContact CG2-CZ 3.42Å; V257-Q296 HydrophobicContact CG1-CG 4.3Å
258K94.9Very high92.8Very high91 Ų9165.3 Ų65.340%0.39629%0.291SS..Hα-helixtrans-56.8-50.8174.8-171.6175.8-177.9178.20110.6Y254 D255 R260 L261 Q262 I294Y254-K258 PolarHBondContact O-N 2.82Å; Y254-K258 VanDerWaalsContact O-N 3.11Å; D255-K258 PolarHBondContact O-N 3.05Å; K258-R260 VanDerWaalsContact C-N 3.31Å; K258-R260 PolarHBondContact O-N 3.45Å; K258-L261 PolarHBondContact O-N 3.1Å; K258-Q262 VanDerWaalsContact O-CG 3.28Å; K258-Q262 WeakPolarHBondContact O-CG 3.34Å; K258-Q262 PolarHBondContact O-N 3.12Å; K258-I294 HydrophobicContact CG-CD1 4.14Å; K258-I294 WeakPolarHBondContact O-CD1 3.17Å
259R92.7Very high92.8Very high96 Ų9663.6 Ų63.636%0.36229%0.285SS..Hα-helixtrans-59.4-39.4177.7-166-174.7-52.1170.17.4112.5E123 F124 D255 E256 V257 Q262E123-R259 IonicContact OE1-CZ 3.67Å; E123-R259 IonicContact OE1-NH1 2.73Å; E123-R259 PolarHBondContact OE1-NH1 3.03Å; E123-R259 VanDerWaalsContact OE1-NH1 3.1Å; E123-R259 IonicContact OE1-NH2 3.94Å; E123-R259 PolarHBondContact OE1-NH2 3.3Å; F124-R259 VanDerWaalsContact CE1-NH1 3.33Å; D255-R259 WeakPolarHBondContact O-CB 3.3Å; D255-R259 PolarHBondContact O-N 2.96Å; E256-R259 PolarHBondContact O-N 2.87Å; V257-R259 PolarHBondContact O-N 3.21Å; R259-Q262 WeakPolarHBondContact O-CB 3.17Å
260R94.5Very high93.1Very high81 Ų8163 Ų6331%0.30628%0.281SS..Hα-helixtrans-67.2-37.4178.7-175.2176-173.696.9-7.7112.5E256 V257 K258 K263 N321E256-R260 VanDerWaalsContact O-CB 3.25Å; E256-R260 WeakPolarHBondContact O-CB 3.28Å; E256-R260 PolarHBondContact O-N 2.98Å; V257-R260 PolarHBondContact O-N 3.19Å; K258-R260 VanDerWaalsContact C-N 3.31Å; K258-R260 PolarHBondContact O-N 3.45Å; R260-K263 WeakPolarHBondContact O-CE 3.45Å; R260-K263 VanDerWaalsContact O-CG 3.25Å; R260-K263 WeakPolarHBondContact O-CG 3.2Å; R260-N321 VanDerWaalsContact CZ-OD1 3.25Å; R260-N321 PolarHBondContact NE-OD1 2.9Å; R260-N321 VanDerWaalsContact NH2-CG 3.27Å; R260-N321 PolarHBondContact NH2-ND2 2.81Å; R260-N321 PolarHBondContact NH2-OD1 2.86Å
261L97.7Very high93.7Very high0 Ų062.1 Ų62.10%027%0.274CS..Hα-helixtrans-84-17.7179.9-68.7175000113.3V257 K258 K263 F264 V272 G286 V288 I294V257-L261 HydrophobicContact CG1-CD1 3.93Å; V257-L261 PolarHBondContact O-N 3.22Å; K258-L261 PolarHBondContact O-N 3.1Å; L261-K263 PolarHBondContact O-N 3.4Å; L261-K263 VanDerWaalsContact O-N 3.15Å; L261-F264 HydrophobicContact CD2-CD2 4.16Å; L261-F264 WeakPolarHBondContact O-CA 3.46Å; L261-F264 PolarHBondContact O-N 2.84Å; L261-V272 HydrophobicContact CD1-CG2 4.17Å; L261-V272 HydrophobicContact CD2-CG1 4.23Å; L261-V272 HydrophobicContact CD2-CG2 4.3Å; L261-V272 HydrophobicContact CG-CG2 4.21Å; L261-G286 VanDerWaalsContact CD1-C 3.41Å; L261-G286 WeakPolarHBondContact CD1-O 3.26Å; L261-V288 HydrophobicContact CB-CG2 4.13Å; L261-V288 HydrophobicContact CD2-CG2 4.46Å; L261-I294 HydrophobicContact CB-CD1 3.8Å; L261-I294 HydrophobicContact CB-CG1 4.04Å; L261-I294 HydrophobicContact CB-CG2 4.19Å; L261-I294 HydrophobicContact CD1-CG2 3.85Å
262Q97.3Very high94.5Very high102 Ų10257.8 Ų57.848%0.47725%0.254SS..Hα-helixtrans-51.2-38.3176.9-84.2-77.5-0.600113.5K258 R259 F264 T265 I294K258-Q262 VanDerWaalsContact O-CG 3.28Å; K258-Q262 WeakPolarHBondContact O-CG 3.34Å; K258-Q262 PolarHBondContact O-N 3.12Å; R259-Q262 WeakPolarHBondContact O-CB 3.17Å; Q262-F264 PolarHBondContact O-N 2.69Å; Q262-T265 WeakPolarHBondContact O-CG2 3.46Å; Q262-T265 PolarHBondContact O-N 3.25Å; Q262-T265 PolarHBondContact O-OG1 2.85Å; Q262-I294 HydrophobicContact CG-CD1 3.99Å
263K96.1Very high95.1Very high138 Ų13856.3 Ų56.360%0.625%0.247SC*.THydrogen-bonded Turntrans-70-9.4176.758176.5172.5179.80114.7R260 L261R260-K263 WeakPolarHBondContact O-CE 3.45Å; R260-K263 VanDerWaalsContact O-CG 3.25Å; R260-K263 WeakPolarHBondContact O-CG 3.2Å; L261-K263 PolarHBondContact O-N 3.4Å; L261-K263 VanDerWaalsContact O-N 3.15Å
264F97.5Very high95.6Very high37 Ų3756.2 Ų56.216%0.16225%0.245CC..THydrogen-bonded Turntrans-114.714.1-178.9-54.1-52.3000112.7L261 Q262 R266 K267 V288 N321L261-F264 HydrophobicContact CD2-CD2 4.16Å; L261-F264 WeakPolarHBondContact O-CA 3.46Å; L261-F264 PolarHBondContact O-N 2.84Å; Q262-F264 PolarHBondContact O-N 2.69Å; F264-R266 PolarHBondContact O-N 2.78Å; F264-R266 VanDerWaalsContact O-N 3.14Å; F264-K267 CarbonylContact O-C 3.45Å; F264-K267 WeakPolarHBondContact O-CA 3.29Å; F264-K267 PolarHBondContact O-N 2.79Å; F264-V288 HydrophobicContact CB-CG2 4.29Å; F264-N321 WeakPolarHBondContact CZ-O 3.46Å
265T97.2Very high95.9Very high46 Ų4652.3 Ų52.328%0.28223%0.232SC..THydrogen-bonded Turntrans-56.6-28.4178.746.10000113.6Q262 K267 G292 I294Q262-T265 WeakPolarHBondContact O-CG2 3.46Å; Q262-T265 PolarHBondContact O-N 3.25Å; Q262-T265 PolarHBondContact O-OG1 2.85Å; T265-K267 PolarHBondContact O-N 3.42Å; T265-G292 WeakPolarHBondContact CG2-O 3.25Å; T265-G292 WeakPolarHBondContact O-CA 3.13Å; T265-I294 HydrophobicContact CG2-CD1 4.44Å
266R97.4Very high96.1Very high243 Ų24350 Ų5092%0.91722%0.22SC*.THydrogen-bonded Turntrans-83.78.1173.4-61.4-174.7179.5-175.6-0.9114.2F264F264-R266 PolarHBondContact O-N 2.78Å; F264-R266 VanDerWaalsContact O-N 3.14Å
267K97.9Very high96Very high51 Ų5148.9 Ų48.922%0.22222%0.217CC..SBendtrans-135.474.3-177.8-165.8178.9-172.3179.60110.1F264 T265 S270 Y319 G322 N324F264-K267 CarbonylContact O-C 3.45Å; F264-K267 WeakPolarHBondContact O-CA 3.29Å; F264-K267 PolarHBondContact O-N 2.79Å; T265-K267 PolarHBondContact O-N 3.42Å; K267-S270 VanDerWaalsContact O-CB 3.31Å; K267-S270 WeakPolarHBondContact O-CB 3.35Å; K267-S270 PolarHBondContact O-N 2.92Å; K267-S270 PolarHBondContact O-OG 3.45Å; K267-Y319 HydrophobicContact CD-CD2 4.18Å; K267-Y319 HydrophobicContact CD-CG 4.14Å; K267-Y319 VanDerWaalsContact CE-CD1 3.43Å; K267-Y319 VanDerWaalsContact CE-CG 3.41Å; K267-Y319 HydrophobicContact CG-CD2 3.76Å; K267-Y319 HydrophobicContact CG-CE2 4.01Å; K267-Y319 HydrophobicContact CG-CG 4.23Å; K267-G322 PolarHBondContact NZ-O 3.24Å; K267-N324 PolarHBondContact NZ-OD1 2.89Å
268P97.8Very high95.8Very high55 Ų5553.5 Ų53.536%0.35725%0.246SC..THydrogen-bonded Turntrans-48.9144.8174.1-28.837.1000112.3S270 S289 Y319P268-S270 VanDerWaalsContact C-N 3.31Å; P268-S289 WeakPolarHBondContact CB-O 3.39Å; P268-Y319 WeakPolarHBondContact O-CD2 3.47Å; P268-Y319 WeakPolarHBondContact O-CE2 3.39Å
269G97.8Very high95.6Very high1 Ų155.6 Ų55.61%0.0125%0.251CS..THydrogen-bonded Turntrans85.6-2.1-173.500000114.1V288 F316 L318 Y319G269-V288 PolarHBondContact N-O 3.26Å; G269-F316 CarbonylContact C-O 3.56Å; G269-F316 VanDerWaalsContact CA-O 3.29Å; G269-F316 WeakPolarHBondContact CA-O 3.43Å; G269-L318 PolarHBondContact O-N 3.45Å; G269-Y319 PolarHBondContact O-N 3.33Å
270S98.5Very high95.6Very high0 Ų052.6 Ų52.60%024%0.242CC..EExtended strand (participates in β ladder)trans-71.7126.9173.2-62.90000111K267 P268 Y287 V288 Y319K267-S270 VanDerWaalsContact O-CB 3.31Å; K267-S270 WeakPolarHBondContact O-CB 3.35Å; K267-S270 PolarHBondContact O-N 2.92Å; K267-S270 PolarHBondContact O-OG 3.45Å; P268-S270 VanDerWaalsContact C-N 3.31Å; S270-Y287 CarbonylContact O-C 3.55Å; S270-Y287 VanDerWaalsContact O-CA 3.24Å; S270-Y287 WeakPolarHBondContact O-CA 3.14Å; S270-V288 PolarHBondContact O-N 2.92Å; S270-Y319 WeakPolarHBondContact CA-O 3.38Å
271Y98.6Very high95.6Very high2 Ų249 Ų491%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-141.2156.5-171.575.4-79.9000113.9H245 A247 F273 V285 G286 L308 Y317 Y319 P320 N321 N326H245-Y271 AromaticContact CE1-CE2 3.96Å; H245-Y271 AromaticContact CE1-CZ 3.93Å; H245-Y271 PolarHBondContact CE1-OH 3.15Å; H245-Y271 PolarHBondContact NE2-OH 2.63Å; A247-Y271 HydrophobicContact CB-CD2 3.77Å; A247-Y271 HydrophobicContact CB-CE2 3.36Å; Y271-F273 HydrophobicContact CE2-CD1 4.23Å; Y271-V285 HydrophobicContact CD2-CG1 4.45Å; Y271-G286 CarbonylContact C-O 3.52Å; Y271-G286 WeakPolarHBondContact CA-O 3.49Å; Y271-G286 WeakPolarHBondContact CB-O 3.45Å; Y271-L308 HydrophobicContact CD2-CD2 4.12Å; Y271-L308 HydrophobicContact CE2-CD2 3.57Å; Y271-Y317 VanDerWaalsContact CD1-CA 3.48Å; Y271-Y317 HydrophobicContact CD2-CD1 4.29Å; Y271-Y317 HydrophobicContact CD2-CG 4.36Å; Y271-Y317 VanDerWaalsContact CE1-C 3.41Å; Y271-Y317 WeakPolarHBondContact CE1-O 3.34Å; Y271-Y317 AromaticContact CG-CD1 3.98Å; Y271-Y317 HydrophobicContact CG-CD1 3.98Å; Y271-Y317 HydrophobicContact CG-CG 4.26Å; Y271-Y319 PolarHBondContact N-O 3.4Å; Y271-Y319 VanDerWaalsContact N-O 3.13Å; Y271-P320 HydrophobicContact CE1-CB 3.8Å; Y271-P320 HydrophobicContact CE1-CG 4.4Å; Y271-P320 HydrophobicContact CE2-CB 4.47Å; Y271-N321 PolarHBondContact O-N 3.3Å; Y271-N326 PolarHBondContact OH-OD1 3.1Å
272V98.3Very high95.4Very high0 Ų050.6 Ų50.60%024%0.238CC..EExtended strand (participates in β ladder)trans-139.8153.3168.5-64.20000109.4A247 V249 V257 L261 G286 N321A247-V272 VanDerWaalsContact O-CA 3.29Å; A247-V272 WeakPolarHBondContact O-CA 3.38Å; A247-V272 WeakPolarHBondContact O-CB 3.21Å; V249-V272 HydrophobicContact CG1-CB 4.38Å; V249-V272 HydrophobicContact CG1-CG1 4.24Å; V249-V272 HydrophobicContact CG2-CB 3.82Å; V249-V272 HydrophobicContact CG2-CG2 4.06Å; V257-V272 HydrophobicContact CB-CG2 4.4Å; V257-V272 HydrophobicContact CG1-CG2 3.69Å; V257-V272 HydrophobicContact CG2-CG2 4Å; L261-V272 HydrophobicContact CD1-CG2 4.17Å; L261-V272 HydrophobicContact CD2-CG1 4.23Å; L261-V272 HydrophobicContact CD2-CG2 4.3Å; L261-V272 HydrophobicContact CG-CG2 4.21Å; V272-G286 PolarHBondContact N-O 3.17Å; V272-G286 PolarHBondContact O-N 3Å; V272-N321 HydrophobicContact CG1-CB 4.07Å
273F98Very high95.4Very high0 Ų046.4 Ų46.40%022%0.218CC..EExtended strand (participates in β ladder)trans-134.6157.7173.365.3-104.3000112.2L241 H245 A247 Y248 V249 Y271 W283 A284 V285 L304 L308L241-F273 HydrophobicContact CB-CE2 4.46Å; L241-F273 HydrophobicContact CB-CZ 4.48Å; L241-F273 HydrophobicContact CD2-CZ 4.09Å; H245-F273 HydrophobicContact CB-CE1 4.28Å; H245-F273 HydrophobicContact CB-CZ 3.77Å; H245-F273 AromaticContact CE1-CE1 3.57Å; H245-F273 AromaticContact CG-CE1 3.66Å; H245-F273 AromaticContact CG-CZ 3.65Å; H245-F273 AromaticContact ND1-CE1 3.15Å; H245-F273 WeakPolarHBondContact ND1-CE1 3.17Å; H245-F273 AromaticContact ND1-CZ 3.56Å; A247-F273 HydrophobicContact CB-CD1 3.83Å; A247-F273 HydrophobicContact CB-CE1 3.86Å; A247-F273 PolarHBondContact O-N 3.48Å; Y248-F273 WeakPolarHBondContact CA-O 3.49Å; Y248-F273 AromaticContact CD2-CD2 3.78Å; Y248-F273 HydrophobicContact CD2-CD2 3.78Å; Y248-F273 AromaticContact CD2-CE2 3.6Å; Y248-F273 HydrophobicContact CD2-CE2 3.6Å; Y248-F273 WeakPolarHBondContact CD2-O 3.3Å; Y248-F273 HydrophobicContact CG-CD2 4.47Å; Y248-F273 AromaticContact CG-CE2 3.93Å; Y248-F273 HydrophobicContact CG-CE2 3.93Å; V249-F273 WeakPolarHBondContact CG2-O 3.21Å; V249-F273 PolarHBondContact N-O 3.22Å; Y271-F273 HydrophobicContact CE2-CD1 4.23Å; F273-W283 AromaticContact CD2-CE3 3.76Å; F273-W283 HydrophobicContact CD2-CE3 3.76Å; F273-W283 AromaticContact CD2-CZ3 3.68Å; F273-W283 HydrophobicContact CD2-CZ3 3.68Å; F273-W283 HydrophobicContact CE2-CE3 4.31Å; F273-W283 HydrophobicContact CE2-CH2 4.4Å; F273-W283 AromaticContact CE2-CZ3 3.85Å; F273-W283 HydrophobicContact CE2-CZ3 3.85Å; F273-A284 VanDerWaalsContact CA-O 3.26Å; F273-A284 WeakPolarHBondContact CA-O 3.47Å; F273-V285 HydrophobicContact CB-CB 4.46Å; F273-V285 HydrophobicContact CB-CG1 4.44Å; F273-V285 HydrophobicContact CB-CG2 3.99Å; F273-L304 HydrophobicContact CD1-CD2 4.26Å; F273-L304 HydrophobicContact CD2-CD2 3.5Å; F273-L304 HydrophobicContact CE1-CD2 4.29Å; F273-L304 HydrophobicContact CE2-CD2 3.6Å; F273-L304 HydrophobicContact CG-CD2 3.86Å; F273-L304 HydrophobicContact CZ-CD2 4Å; F273-L308 HydrophobicContact CD1-CD1 4.09Å; F273-L308 HydrophobicContact CD1-CD2 4.15Å; F273-L308 HydrophobicContact CE1-CD1 3.62Å; F273-L308 HydrophobicContact CE1-CD2 4.45Å; F273-L308 HydrophobicContact CZ-CD1 4.34Å
274R95.4Very high95.4Very high14 Ų1440.2 Ų40.25%0.05319%0.192CC..EExtended strand (participates in β ladder)trans-156.3167.7-175.765.4-166.4-167.5-784.4110.9V249 L252 T253 Y254 V257 A284 Q296V249-R274 HydrophobicContact CG2-CB 4.32Å; V249-R274 WeakPolarHBondContact O-CB 3.44Å; L252-R274 WeakPolarHBondContact O-CD 3.22Å; L252-R274 PolarHBondContact O-NE 2.93Å; T253-R274 PolarHBondContact O-NH2 3.44Å; Y254-R274 VanDerWaalsContact CA-NH2 3.25Å; V257-R274 VanDerWaalsContact CG2-CZ 3.42Å; R274-A284 HydrophobicContact CG-CB 4.21Å; R274-A284 PolarHBondContact N-O 3.01Å; R274-A284 PolarHBondContact O-N 3.33Å; R274-Q296 VanDerWaalsContact CZ-OE1 3.27Å
275L94.3Very high95.5Very high41 Ų4138.4 Ų38.422%0.21519%0.185CC..EExtended strand (participates in β ladder)trans-66.7136.7169.6-69.864.2000108.2L227 Y248 C277 W283L227-L275 HydrophobicContact CD1-CD2 3.96Å; L227-L275 HydrophobicContact CD1-CG 4.06Å; L227-L275 HydrophobicContact CD2-CG 4.4Å; Y248-L275 HydrophobicContact CE2-CD1 3.58Å; Y248-L275 VanDerWaalsContact OH-CD1 3.23Å; Y248-L275 WeakPolarHBondContact OH-CD1 3.39Å; L275-C277 PolarHBondContact O-N 3.09Å; L275-W283 HydrophobicContact CD1-CE3 4.37Å; L275-W283 HydrophobicContact CD1-CH2 4Å; L275-W283 HydrophobicContact CD1-CZ3 3.65Å; L275-W283 HydrophobicContact CG-CZ3 4.46Å
276S92.9Very high95.5Very high6 Ų636.2 Ų36.24%0.04217%0.171CC..  trans-67.9131.1175.7177.70000110.6T278 R279 Q282S276-T278 VanDerWaalsContact C-N 3.29Å; S276-T278 PolarHBondContact OG-N 2.91Å; S276-T278 PolarHBondContact OG-OG1 3.29Å; S276-R279 WeakPolarHBondContact CB-O 3.34Å; S276-R279 PolarHBondContact OG-N 3.23Å; S276-Q282 WeakPolarHBondContact CB-O 3.47Å; S276-Q282 PolarHBondContact N-O 2.81Å
277C88.4Confident95.6Very high23 Ų2326.4 Ų26.416%0.15513%0.134CC..SBendtrans-76.9-17.7175.2-55.80000112.8P65 L136 L275P65-C277 HydrophobicContact CB-CB 4.38Å; L136-C277 HydrophobicContact CD1-CB 4.37Å; L275-C277 PolarHBondContact O-N 3.09Å
278T88.3Confident95.6Very high97 Ų9724 Ų2460%0.59512%0.124SC*.SBendtrans-109.7-22.2-175.7540000113.3P65 S276P65-T278 HydrophobicContact CB-CG2 3.72Å; P65-T278 HydrophobicContact CG-CG2 3.64Å; S276-T278 VanDerWaalsContact C-N 3.29Å; S276-T278 PolarHBondContact OG-N 2.91Å; S276-T278 PolarHBondContact OG-OG1 3.29Å
279R90.7Very high95.6Very high135 Ų13522 Ų2251%0.50911%0.112SC..SBendtrans-130.187.1-179.9-62.4-168178.3-170.3-2.8110.4S276 G281 Q282 I298S276-R279 WeakPolarHBondContact CB-O 3.34Å; S276-R279 PolarHBondContact OG-N 3.23Å; R279-G281 PolarHBondContact O-N 2.84Å; R279-Q282 HydrophobicContact CB-CB 4.25Å; R279-Q282 HydrophobicContact CB-CG 4.28Å; R279-Q282 VanDerWaalsContact CB-OE1 3.22Å; R279-Q282 WeakPolarHBondContact O-CB 3.32Å; R279-Q282 PolarHBondContact O-N 3.49Å; R279-Q282 VanDerWaalsContact O-N 3.11Å; R279-I298 HydrophobicContact CB-CD1 4.5Å; R279-I298 HydrophobicContact CG-CD1 4.35Å
280L92.8Very high95.5Very high32 Ų3227.4 Ų27.417%0.16815%0.149CC..THydrogen-bonded Turntrans-64136.4-175.7-62.7176.3000111.4H140 A143 F219 V223 R226 Q282H140-L280 WeakPolarHBondContact CE1-CD2 3.2Å; H140-L280 VanDerWaalsContact ND1-CD2 3.33Å; H140-L280 WeakPolarHBondContact ND1-CD2 3.23Å; A143-L280 HydrophobicContact CB-CD1 3.43Å; A143-L280 VanDerWaalsContact CB-CD1 3.43Å; F219-L280 HydrophobicContact CE1-CD1 4.14Å; F219-L280 HydrophobicContact CZ-CD1 3.74Å; V223-L280 HydrophobicContact CG1-CB 4.4Å; V223-L280 HydrophobicContact CG2-CB 3.9Å; R226-L280 PolarHBondContact NH2-O 2.74Å; L280-Q282 VanDerWaalsContact C-N 3.34Å
281G94.3Very high95.3Very high7 Ų731.2 Ų31.27%0.07217%0.169CC..THydrogen-bonded Turntrans89.9-2.1-172.500000114.1R279R279-G281 PolarHBondContact O-N 2.84Å
282Q94.8Very high95.2Very high33 Ų3332.1 Ų32.115%0.15418%0.179CC..  trans-115.2152.4176.1-58-167.7-46.400112.1S276 R279 L280 I298S276-Q282 WeakPolarHBondContact CB-O 3.47Å; S276-Q282 PolarHBondContact N-O 2.81Å; R279-Q282 HydrophobicContact CB-CB 4.25Å; R279-Q282 HydrophobicContact CB-CG 4.28Å; R279-Q282 VanDerWaalsContact CB-OE1 3.22Å; R279-Q282 WeakPolarHBondContact O-CB 3.32Å; R279-Q282 PolarHBondContact O-N 3.49Å; R279-Q282 VanDerWaalsContact O-N 3.11Å; L280-Q282 VanDerWaalsContact C-N 3.34Å; Q282-I298 HydrophobicContact CB-CG2 3.82Å; Q282-I298 HydrophobicContact CG-CG2 4.42Å
283W96.7Very high95.2Very high13 Ų1337.9 Ų37.95%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-91.7146.1175.1-6697000111.2L227 F228 L241 Y248 F273 L275 I298 P299 L304L227-W283 HydrophobicContact CB-CZ2 4.08Å; L227-W283 HydrophobicContact CD2-CD2 4.01Å; L227-W283 HydrophobicContact CD2-CG 4.22Å; L227-W283 HydrophobicContact CD2-CZ2 4.15Å; L227-W283 PolarHBondContact O-NE1 2.79Å; F228-W283 AromaticContact CD1-CZ2 3.99Å; F228-W283 HydrophobicContact CD1-CZ2 3.99Å; F228-W283 AromaticContact CE1-CH2 3.7Å; F228-W283 HydrophobicContact CE1-CH2 3.7Å; F228-W283 AromaticContact CE1-CZ2 3.43Å; F228-W283 HydrophobicContact CE1-CZ2 3.43Å; F228-W283 VanDerWaalsContact CE1-CZ2 3.43Å; F228-W283 AromaticContact CZ-CH2 3.91Å; F228-W283 HydrophobicContact CZ-CH2 3.91Å; F228-W283 AromaticContact CZ-CZ2 3.83Å; F228-W283 HydrophobicContact CZ-CZ2 3.83Å; L241-W283 HydrophobicContact CB-CH2 4.39Å; L241-W283 HydrophobicContact CB-CZ2 4.46Å; L241-W283 HydrophobicContact CD1-CZ2 4.13Å; Y248-W283 HydrophobicContact CD2-CZ3 4.06Å; Y248-W283 HydrophobicContact CE2-CH2 4.46Å; Y248-W283 AromaticContact CE2-CZ3 3.89Å; Y248-W283 HydrophobicContact CE2-CZ3 3.89Å; F273-W283 AromaticContact CD2-CE3 3.76Å; F273-W283 HydrophobicContact CD2-CE3 3.76Å; F273-W283 AromaticContact CD2-CZ3 3.68Å; F273-W283 HydrophobicContact CD2-CZ3 3.68Å; F273-W283 HydrophobicContact CE2-CE3 4.31Å; F273-W283 HydrophobicContact CE2-CH2 4.4Å; F273-W283 AromaticContact CE2-CZ3 3.85Å; F273-W283 HydrophobicContact CE2-CZ3 3.85Å; L275-W283 HydrophobicContact CD1-CE3 4.37Å; L275-W283 HydrophobicContact CD1-CH2 4Å; L275-W283 HydrophobicContact CD1-CZ3 3.65Å; L275-W283 HydrophobicContact CG-CZ3 4.46Å; W283-I298 WeakPolarHBondContact O-CA 3.39Å; W283-I298 WeakPolarHBondContact O-CG2 3.35Å; W283-P299 VanDerWaalsContact O-CD 3.3Å; W283-P299 WeakPolarHBondContact O-CD 3.49Å; W283-L304 HydrophobicContact CB-CB 4.5Å; W283-L304 HydrophobicContact CB-CD1 4.07Å; W283-L304 HydrophobicContact CB-CD2 4.22Å; W283-L304 HydrophobicContact CB-CG 4.49Å; W283-L304 HydrophobicContact CD2-CB 4.26Å; W283-L304 HydrophobicContact CD2-CD2 3.34Å; W283-L304 HydrophobicContact CD2-CG 4.28Å; W283-L304 HydrophobicContact CE3-CD2 3.56Å; W283-L304 HydrophobicContact CG-CB 3.86Å; W283-L304 HydrophobicContact CG-CD1 4.21Å; W283-L304 HydrophobicContact CG-CD2 3.64Å; W283-L304 HydrophobicContact CG-CG 4.1Å; W283-L304 HydrophobicContact CH2-CD2 4.35Å; W283-L304 HydrophobicContact CZ2-CD2 4.16Å; W283-L304 HydrophobicContact CZ3-CD2 4.06Å
284A96.6Very high95.2Very high8 Ų839 Ų397%0.06621%0.21CC..EExtended strand (participates in β ladder)trans-116.2125.7168.300000109.2F273 R274 T297 I298F273-A284 VanDerWaalsContact CA-O 3.26Å; F273-A284 WeakPolarHBondContact CA-O 3.47Å; R274-A284 HydrophobicContact CG-CB 4.21Å; R274-A284 PolarHBondContact N-O 3.01Å; R274-A284 PolarHBondContact O-N 3.33Å; A284-T297 WeakPolarHBondContact CA-O 3.27Å; A284-I298 HydrophobicContact CB-CG1 4.49Å
285V97.9Very high95.3Very high0 Ų043 Ų430%023%0.226CC..EExtended strand (participates in β ladder)trans-112.2123.3178.9-170.30000108.7Y271 F273 Q296 T297 P299 L304 Y317Y271-V285 HydrophobicContact CD2-CG1 4.45Å; F273-V285 HydrophobicContact CB-CB 4.46Å; F273-V285 HydrophobicContact CB-CG1 4.44Å; F273-V285 HydrophobicContact CB-CG2 3.99Å; V285-Q296 CarbonylContact O-C 3.57Å; V285-Q296 VanDerWaalsContact O-CA 3.26Å; V285-Q296 WeakPolarHBondContact O-CA 3.24Å; V285-T297 HydrophobicContact CB-CG2 4.37Å; V285-T297 PolarHBondContact N-O 2.99Å; V285-T297 PolarHBondContact O-N 3.25Å; V285-P299 HydrophobicContact CG2-CG 3.94Å; V285-L304 HydrophobicContact CG2-CD1 3.88Å; V285-Y317 HydrophobicContact CB-CE1 4.49Å; V285-Y317 HydrophobicContact CG1-CD1 4.09Å; V285-Y317 HydrophobicContact CG1-CE1 3.51Å; V285-Y317 HydrophobicContact CG1-CE2 4.38Å
286G98Very high95.4Very high0 Ų043.1 Ų43.10%023%0.225CC..EExtended strand (participates in β ladder)trans-103137.3168.700000110.4L261 Y271 V272 Y295L261-G286 VanDerWaalsContact CD1-C 3.41Å; L261-G286 WeakPolarHBondContact CD1-O 3.26Å; Y271-G286 CarbonylContact C-O 3.52Å; Y271-G286 WeakPolarHBondContact CA-O 3.49Å; Y271-G286 WeakPolarHBondContact CB-O 3.45Å; V272-G286 PolarHBondContact N-O 3.17Å; V272-G286 PolarHBondContact O-N 3Å; G286-Y295 CarbonylContact C-O 3.5Å; G286-Y295 VanDerWaalsContact CA-O 3.25Å; G286-Y295 WeakPolarHBondContact CA-O 3.38Å
287Y98.4Very high95.5Very high36 Ų3645.7 Ų45.714%0.14124%0.24CC..EExtended strand (participates in β ladder)trans-145.1158.3178.870-83000112.9S270 I294 Y295 T297 F316 Y317S270-Y287 CarbonylContact O-C 3.55Å; S270-Y287 VanDerWaalsContact O-CA 3.24Å; S270-Y287 WeakPolarHBondContact O-CA 3.14Å; Y287-I294 WeakPolarHBondContact O-CA 3.45Å; Y287-Y295 HydrophobicContact CE2-CD2 4.36Å; Y287-Y295 PolarHBondContact N-O 2.91Å; Y287-Y295 PolarHBondContact O-N 2.95Å; Y287-T297 HydrophobicContact CE1-CG2 4.37Å; Y287-F316 HydrophobicContact CD2-CB 4.22Å; Y287-F316 HydrophobicContact CD2-CD1 4.13Å; Y287-F316 HydrophobicContact CE2-CB 4.32Å; Y287-F316 AromaticContact CE2-CD1 3.54Å; Y287-F316 HydrophobicContact CE2-CD1 3.54Å; Y287-F316 HydrophobicContact CE2-CE1 4.2Å; Y287-F316 HydrophobicContact CE2-CG 4.2Å; Y287-Y317 AromaticContact CD1-CE1 3.78Å; Y287-Y317 HydrophobicContact CD1-CE1 3.78Å; Y287-Y317 HydrophobicContact CG-CD1 4.45Å; Y287-Y317 AromaticContact CG-CE1 3.91Å; Y287-Y317 HydrophobicContact CG-CE1 3.91Å
288V98.5Very high95.7Very high1 Ų146.4 Ų46.41%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-92121.5173.3-177.30000108.9L261 F264 G269 S270 K293 I294L261-V288 HydrophobicContact CB-CG2 4.13Å; L261-V288 HydrophobicContact CD2-CG2 4.46Å; F264-V288 HydrophobicContact CB-CG2 4.29Å; G269-V288 PolarHBondContact N-O 3.26Å; S270-V288 PolarHBondContact O-N 2.92Å; V288-K293 WeakPolarHBondContact CA-O 3.12Å; V288-I294 HydrophobicContact CG2-CG1 4.32Å
289S97.3Very high95.9Very high14 Ų1442.9 Ų42.910%0.09822%0.221CC..  trans-75.9166.3177.5143.90000112.3P268 D291 G292 K293 Y295P268-S289 WeakPolarHBondContact CB-O 3.39Å; S289-D291 VanDerWaalsContact CB-OD1 3.31Å; S289-D291 WeakPolarHBondContact CB-OD1 3.32Å; S289-D291 PolarHBondContact O-N 2.88Å; S289-D291 VanDerWaalsContact OG-CG 3.3Å; S289-D291 PolarHBondContact OG-N 3.48Å; S289-D291 PolarHBondContact OG-OD1 2.95Å; S289-G292 PolarHBondContact O-N 3.33Å; S289-K293 PolarHBondContact N-O 2.76Å; S289-Y295 VanDerWaalsContact CB-CD2 3.5Å
290S95.8Very high95.7Very high114 Ų11439.9 Ų39.980%0.79721%0.213SC*.THydrogen-bonded Turntrans-58-29.9173.852.80000113.5G292S290-G292 PolarHBondContact O-N 3.17Å
291D95.5Very high95.2Very high80 Ų8041.2 Ų41.243%0.42822%0.22SC..THydrogen-bonded Turntrans-81.23.6174.676.7-13.7000113.8S289 K293S289-D291 VanDerWaalsContact CB-OD1 3.31Å; S289-D291 WeakPolarHBondContact CB-OD1 3.32Å; S289-D291 PolarHBondContact O-N 2.88Å; S289-D291 VanDerWaalsContact OG-CG 3.3Å; S289-D291 PolarHBondContact OG-N 3.48Å; S289-D291 PolarHBondContact OG-OD1 2.95Å; D291-K293 VanDerWaalsContact C-N 3.25Å; D291-K293 PolarHBondContact O-N 3.38Å; D291-K293 WeakPolarHBondContact OD1-CB 3.24Å; D291-K293 WeakPolarHBondContact OD1-CG 3.31Å; D291-K293 PolarHBondContact OD1-N 2.83Å; D291-K293 WeakPolarHBondContact OD2-CD 3.26Å; D291-K293 VanDerWaalsContact OD2-CE 3.26Å; D291-K293 WeakPolarHBondContact OD2-CE 3.49Å; D291-K293 WeakPolarHBondContact OD2-CG 3.15Å; D291-K293 IonicContact OD2-NZ 3.92Å; D291-K293 PolarHBondContact OD2-NZ 2.81Å
292G96.2Very high94.9Very high20 Ų2045.2 Ų45.221%0.20624%0.236CC..SBendtrans77.31.8-178.600000114.7T265 S289 S290T265-G292 WeakPolarHBondContact CG2-O 3.25Å; T265-G292 WeakPolarHBondContact O-CA 3.13Å; S289-G292 PolarHBondContact O-N 3.33Å; S290-G292 PolarHBondContact O-N 3.17Å
293K97.7Very high94.8Very high122 Ų12244.8 Ų44.853%0.5324%0.236SC..  trans-77.8160.6173.3-62.8-175.1-167.5122.20111.4V288 S289 D291 Y295V288-K293 WeakPolarHBondContact CA-O 3.12Å; S289-K293 PolarHBondContact N-O 2.76Å; D291-K293 VanDerWaalsContact C-N 3.25Å; D291-K293 PolarHBondContact O-N 3.38Å; D291-K293 WeakPolarHBondContact OD1-CB 3.24Å; D291-K293 WeakPolarHBondContact OD1-CG 3.31Å; D291-K293 PolarHBondContact OD1-N 2.83Å; D291-K293 WeakPolarHBondContact OD2-CD 3.26Å; D291-K293 VanDerWaalsContact OD2-CE 3.26Å; D291-K293 WeakPolarHBondContact OD2-CE 3.49Å; D291-K293 WeakPolarHBondContact OD2-CG 3.15Å; D291-K293 IonicContact OD2-NZ 3.92Å; D291-K293 PolarHBondContact OD2-NZ 2.81Å; K293-Y295 HydrophobicContact CB-CE2 3.82Å
294I98.1Very high94.7Very high24 Ų2444.3 Ų44.312%0.12324%0.235CC..EExtended strand (participates in β ladder)trans-108.6122.4179.2-61.6161.7000108.8K258 L261 Q262 T265 Y287 V288K258-I294 HydrophobicContact CG-CD1 4.14Å; K258-I294 WeakPolarHBondContact O-CD1 3.17Å; L261-I294 HydrophobicContact CB-CD1 3.8Å; L261-I294 HydrophobicContact CB-CG1 4.04Å; L261-I294 HydrophobicContact CB-CG2 4.19Å; L261-I294 HydrophobicContact CD1-CG2 3.85Å; Q262-I294 HydrophobicContact CG-CD1 3.99Å; T265-I294 HydrophobicContact CG2-CD1 4.44Å; Y287-I294 WeakPolarHBondContact O-CA 3.45Å; V288-I294 HydrophobicContact CG2-CG1 4.32Å
295Y97.6Very high94.7Very high98 Ų9844.1 Ų44.138%0.38423%0.233SC..EExtended strand (participates in β ladder)trans-113.1151.2176.3-65.1-79.4000110.2G286 Y287 S289 K293G286-Y295 CarbonylContact C-O 3.5Å; G286-Y295 VanDerWaalsContact CA-O 3.25Å; G286-Y295 WeakPolarHBondContact CA-O 3.38Å; Y287-Y295 HydrophobicContact CE2-CD2 4.36Å; Y287-Y295 PolarHBondContact N-O 2.91Å; Y287-Y295 PolarHBondContact O-N 2.95Å; S289-Y295 VanDerWaalsContact CB-CD2 3.5Å; K293-Y295 HydrophobicContact CB-CE2 3.82Å
296Q96.8Very high94.5Very high43 Ų4346 Ų4620%0.20124%0.241CC..EExtended strand (participates in β ladder)trans-130.5131.3173.2-57.4-17254.700109.3Y254 V257 R274 V285Y254-Q296 HydrophobicContact CD2-CB 4.26Å; Y254-Q296 HydrophobicContact CD2-CG 4.21Å; Y254-Q296 HydrophobicContact CE2-CB 3.89Å; Y254-Q296 VanDerWaalsContact CE2-CD 3.46Å; Y254-Q296 HydrophobicContact CE2-CG 3.9Å; Y254-Q296 PolarHBondContact O-NE2 2.9Å; V257-Q296 HydrophobicContact CG1-CG 4.3Å; R274-Q296 VanDerWaalsContact CZ-OE1 3.27Å; V285-Q296 CarbonylContact O-C 3.57Å; V285-Q296 VanDerWaalsContact O-CA 3.26Å; V285-Q296 WeakPolarHBondContact O-CA 3.24Å
297T95.1Very high94.3Very high59 Ų5946.3 Ų46.336%0.36224%0.244SC..EExtended strand (participates in β ladder)trans-133157.7-177.3-175.70000110.8A284 V285 Y287A284-T297 WeakPolarHBondContact CA-O 3.27Å; V285-T297 HydrophobicContact CB-CG2 4.37Å; V285-T297 PolarHBondContact N-O 2.99Å; V285-T297 PolarHBondContact O-N 3.25Å; Y287-T297 HydrophobicContact CE1-CG2 4.37Å
298I93.5Very high94.3Very high38 Ų3844.8 Ų44.820%0.19524%0.238CC..  trans-112.2110.2170.6-63.3-179.9000106.4R279 Q282 W283 A284 Q300R279-I298 HydrophobicContact CB-CD1 4.5Å; R279-I298 HydrophobicContact CG-CD1 4.35Å; Q282-I298 HydrophobicContact CB-CG2 3.82Å; Q282-I298 HydrophobicContact CG-CG2 4.42Å; W283-I298 WeakPolarHBondContact O-CA 3.39Å; W283-I298 WeakPolarHBondContact O-CG2 3.35Å; A284-I298 HydrophobicContact CB-CG1 4.49Å; I298-Q300 VanDerWaalsContact CG2-NE2 3.33Å; I298-Q300 PolarHBondContact O-N 2.81Å; I298-Q300 PolarHBondContact O-NE2 2.74Å
299P92.2Very high94.1Very high24 Ų2445.3 Ų45.316%0.15624%0.241CC..  trans-54.2129.4175.7-25.335000111W283 V285 L304 A307W283-P299 VanDerWaalsContact O-CD 3.3Å; W283-P299 WeakPolarHBondContact O-CD 3.49Å; V285-P299 HydrophobicContact CG2-CG 3.94Å; P299-L304 HydrophobicContact CG-CD1 4.47Å; P299-A307 HydrophobicContact CB-CB 3.73Å; P299-A307 HydrophobicContact CG-CB 3.85Å
300Q86.7Confident94Very high71 Ų7146 Ų4633%0.33224%0.243SC..  trans-105.8147.5177.8-58.3-55.6-43.600110.1I298 K302I298-Q300 VanDerWaalsContact CG2-NE2 3.33Å; I298-Q300 PolarHBondContact O-N 2.81Å; I298-Q300 PolarHBondContact O-NE2 2.74Å; Q300-K302 PolarHBondContact O-N 2.84Å
301N81.9Confident94Very high60 Ų6040.7 Ų40.732%0.32121%0.207SC..SBendtrans56.525.4169-51.8-37000115.4Q389 T407N301-Q389 PolarHBondContact ND2-OE1 3.22Å; N301-T407 WeakPolarHBondContact CA-OG1 3.4Å; N301-T407 VanDerWaalsContact CB-OG1 3.31Å; N301-T407 WeakPolarHBondContact CB-OG1 3.22Å; N301-T407 WeakPolarHBondContact OD1-CG2 3.05Å; N301-T407 PolarHBondContact OD1-OG1 3.21Å
302K86.9Confident94Very high92 Ų9238.8 Ų38.840%0.420%0.199SC..SBendtrans-156.9159.9176.264.4-175.266.6-176.20112.2Q300 Q306 A307 D310Q300-K302 PolarHBondContact O-N 2.84Å; K302-Q306 HydrophobicContact CB-CB 4.33Å; K302-Q306 HydrophobicContact CB-CG 4.38Å; K302-Q306 HydrophobicContact CD-CG 4.37Å; K302-A307 HydrophobicContact CD-CB 3.88Å; K302-A307 HydrophobicContact CG-CB 4.1Å; K302-D310 IonicContact NZ-OD2 2.86Å; K302-D310 PolarHBondContact NZ-OD2 3.47Å
303S92.6Very high94Very high23 Ų2346.3 Ų46.316%0.16122%0.222CC..  trans-68.2156.2171.875.80000111.1I305 Q306 A307S303-I305 VanDerWaalsContact C-N 3.27Å; S303-I305 PolarHBondContact O-N 3.45Å; S303-Q306 PolarHBondContact O-N 3.44Å; S303-Q306 PolarHBondContact OG-N 3Å; S303-A307 PolarHBondContact O-N 3.35Å
304L95.9Very high93.9Very high4 Ų446.7 Ų46.72%0.02123%0.225CC..Hα-helixtrans-62.5-35.8175.6179.462.9000111.9L241 F273 W283 V285 P299 Q306 A307 L308L241-L304 HydrophobicContact CD1-CB 4.14Å; L241-L304 HydrophobicContact CD1-CD2 4.19Å; L241-L304 HydrophobicContact CD1-CG 4.5Å; L241-L304 HydrophobicContact CD2-CD2 3.9Å; L241-L304 HydrophobicContact CD2-CG 4.17Å; F273-L304 HydrophobicContact CD1-CD2 4.26Å; F273-L304 HydrophobicContact CD2-CD2 3.5Å; F273-L304 HydrophobicContact CE1-CD2 4.29Å; F273-L304 HydrophobicContact CE2-CD2 3.6Å; F273-L304 HydrophobicContact CG-CD2 3.86Å; F273-L304 HydrophobicContact CZ-CD2 4Å; W283-L304 HydrophobicContact CB-CB 4.5Å; W283-L304 HydrophobicContact CB-CD1 4.07Å; W283-L304 HydrophobicContact CB-CD2 4.22Å; W283-L304 HydrophobicContact CB-CG 4.49Å; W283-L304 HydrophobicContact CD2-CB 4.26Å; W283-L304 HydrophobicContact CD2-CD2 3.34Å; W283-L304 HydrophobicContact CD2-CG 4.28Å; W283-L304 HydrophobicContact CE3-CD2 3.56Å; W283-L304 HydrophobicContact CG-CB 3.86Å; W283-L304 HydrophobicContact CG-CD1 4.21Å; W283-L304 HydrophobicContact CG-CD2 3.64Å; W283-L304 HydrophobicContact CG-CG 4.1Å; W283-L304 HydrophobicContact CH2-CD2 4.35Å; W283-L304 HydrophobicContact CZ2-CD2 4.16Å; W283-L304 HydrophobicContact CZ3-CD2 4.06Å; V285-L304 HydrophobicContact CG2-CD1 3.88Å; P299-L304 HydrophobicContact CG-CD1 4.47Å; L304-Q306 VanDerWaalsContact C-N 3.33Å; L304-Q306 PolarHBondContact O-N 3.31Å; L304-A307 PolarHBondContact O-N 3.47Å; L304-L308 HydrophobicContact CD1-CD1 4.31Å; L304-L308 HydrophobicContact CD1-CD2 4.24Å; L304-L308 HydrophobicContact CD1-CG 3.93Å; L304-L308 HydrophobicContact CD2-CD1 4.43Å; L304-L308 HydrophobicContact CG-CD1 3.99Å; L304-L308 HydrophobicContact CG-CG 4.08Å; L304-L308 WeakPolarHBondContact O-CB 3.37Å; L304-L308 VanDerWaalsContact O-CG 3.24Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3.03Å
305I95.8Very high93.8Very high4 Ų447 Ų472%0.02124%0.235CC..Hα-helixtrans-57.8-49176.1-70.9173.7000110.1N237 L241 S303 L308 I309 L329 A332N237-I305 HydrophobicContact CB-CD1 4.24Å; N237-I305 WeakPolarHBondContact OD1-CD1 3.15Å; L241-I305 HydrophobicContact CD1-CG1 4.14Å; L241-I305 HydrophobicContact CD2-CG1 3.93Å; L241-I305 HydrophobicContact CG-CG1 4.17Å; S303-I305 VanDerWaalsContact C-N 3.27Å; S303-I305 PolarHBondContact O-N 3.45Å; I305-L308 PolarHBondContact O-N 3.21Å; I305-I309 HydrophobicContact CG2-CD1 3.91Å; I305-I309 WeakPolarHBondContact O-CG1 3.25Å; I305-I309 PolarHBondContact O-N 3.01Å; I305-L329 HydrophobicContact CG2-CB 4.16Å; I305-A332 HydrophobicContact CD1-CB 4.11Å; I305-A332 HydrophobicContact CG2-CB 4.47Å
306Q93.5Very high93.7Very high38 Ų3846.1 Ų46.118%0.17823%0.233CC..Hα-helixtrans-62-45.7177-173.962.853.600111.3K302 S303 L304 L308 I309 D310 L333K302-Q306 HydrophobicContact CB-CB 4.33Å; K302-Q306 HydrophobicContact CB-CG 4.38Å; K302-Q306 HydrophobicContact CD-CG 4.37Å; S303-Q306 PolarHBondContact O-N 3.44Å; S303-Q306 PolarHBondContact OG-N 3Å; L304-Q306 VanDerWaalsContact C-N 3.33Å; L304-Q306 PolarHBondContact O-N 3.31Å; Q306-L308 VanDerWaalsContact C-N 3.27Å; Q306-L308 PolarHBondContact O-N 3.33Å; Q306-I309 PolarHBondContact O-N 2.89Å; Q306-I309 VanDerWaalsContact O-N 3.16Å; Q306-D310 PolarHBondContact NE2-OD1 3.44Å; Q306-D310 VanDerWaalsContact O-CG 3.26Å; Q306-D310 PolarHBondContact O-N 3.14Å; Q306-L333 HydrophobicContact CB-CD1 4.32Å
307A95Very high93.8Very high7 Ų745 Ų456%0.05823%0.227CC..Hα-helixtrans-58.9-38178.200000112.8P299 K302 S303 L304 G311 Y317P299-A307 HydrophobicContact CB-CB 3.73Å; P299-A307 HydrophobicContact CG-CB 3.85Å; K302-A307 HydrophobicContact CD-CB 3.88Å; K302-A307 HydrophobicContact CG-CB 4.1Å; S303-A307 PolarHBondContact O-N 3.35Å; L304-A307 PolarHBondContact O-N 3.47Å; A307-G311 PolarHBondContact O-N 2.97Å; A307-Y317 WeakPolarHBondContact O-CE2 3.45Å
308L97Very high93.9Very high5 Ų544.8 Ų44.83%0.02622%0.224CC..Hα-helixtrans-69.3-39.3177.1-70.1177.5000112.2L241 Y271 F273 L304 I305 Q306 S312 Y317 L329L241-L308 HydrophobicContact CD2-CD1 4.11Å; Y271-L308 HydrophobicContact CD2-CD2 4.12Å; Y271-L308 HydrophobicContact CE2-CD2 3.57Å; F273-L308 HydrophobicContact CD1-CD1 4.09Å; F273-L308 HydrophobicContact CD1-CD2 4.15Å; F273-L308 HydrophobicContact CE1-CD1 3.62Å; F273-L308 HydrophobicContact CE1-CD2 4.45Å; F273-L308 HydrophobicContact CZ-CD1 4.34Å; L304-L308 HydrophobicContact CD1-CD1 4.31Å; L304-L308 HydrophobicContact CD1-CD2 4.24Å; L304-L308 HydrophobicContact CD1-CG 3.93Å; L304-L308 HydrophobicContact CD2-CD1 4.43Å; L304-L308 HydrophobicContact CG-CD1 3.99Å; L304-L308 HydrophobicContact CG-CG 4.08Å; L304-L308 WeakPolarHBondContact O-CB 3.37Å; L304-L308 VanDerWaalsContact O-CG 3.24Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3.03Å; I305-L308 PolarHBondContact O-N 3.21Å; Q306-L308 VanDerWaalsContact C-N 3.27Å; Q306-L308 PolarHBondContact O-N 3.33Å; L308-S312 WeakPolarHBondContact O-CB 3.29Å; L308-S312 PolarHBondContact O-N 3.46Å; L308-Y317 HydrophobicContact CD2-CD2 3.98Å; L308-Y317 HydrophobicContact CD2-CE2 4.47Å; L308-Y317 HydrophobicContact CD2-CG 4.36Å; L308-L329 HydrophobicContact CB-CD1 4.05Å; L308-L329 HydrophobicContact CD1-CD1 3.8Å
309I95.4Very high94.2Very high12 Ų1246.5 Ų46.56%0.06223%0.228CC..Hα-helixtrans-64.6-50.4175.4-67.3166000110.2I305 Q306 S312 R313 L329 L333I305-I309 HydrophobicContact CG2-CD1 3.91Å; I305-I309 WeakPolarHBondContact O-CG1 3.25Å; I305-I309 PolarHBondContact O-N 3.01Å; Q306-I309 PolarHBondContact O-N 2.89Å; Q306-I309 VanDerWaalsContact O-N 3.16Å; I309-S312 WeakPolarHBondContact O-CB 3.41Å; I309-S312 PolarHBondContact O-N 3.07Å; I309-S312 VanDerWaalsContact O-N 3.15Å; I309-R313 WeakPolarHBondContact O-CG 3.42Å; I309-R313 PolarHBondContact O-N 3.18Å; I309-L329 HydrophobicContact CD1-CB 4.26Å; I309-L329 HydrophobicContact CG1-CB 4.13Å; I309-L333 HydrophobicContact CD1-CB 4.15Å; I309-L333 HydrophobicContact CD1-CD2 4.36Å
310D94.4Very high94.4Very high28 Ų2845.4 Ų45.415%0.1522%0.221CC..Hα-helixtrans-58.2-52.2179.4-66.4-15.2000110.6K302 Q306 S312 R313 E314K302-D310 IonicContact NZ-OD2 2.86Å; K302-D310 PolarHBondContact NZ-OD2 3.47Å; Q306-D310 PolarHBondContact NE2-OD1 3.44Å; Q306-D310 VanDerWaalsContact O-CG 3.26Å; Q306-D310 PolarHBondContact O-N 3.14Å; D310-S312 PolarHBondContact O-N 2.75Å; D310-R313 WeakPolarHBondContact O-CA 3.48Å; D310-R313 WeakPolarHBondContact O-CB 3.29Å; D310-R313 PolarHBondContact O-N 3.33Å; D310-E314 WeakPolarHBondContact O-CG 3.48Å; D310-E314 PolarHBondContact O-N 2.82Å
311G96.1Very high94.9Very high3 Ų343.1 Ų43.13%0.03121%0.211CC..Hα-helixtrans-67.8-21.6179.300000113.5A307 G315 F316 Y317A307-G311 PolarHBondContact O-N 2.97Å; G311-G315 CarbonylContact O-C 3.51Å; G311-G315 PolarHBondContact O-N 3.19Å; G311-G315 VanDerWaalsContact O-N 3.16Å; G311-F316 WeakPolarHBondContact O-CA 3.38Å; G311-F316 PolarHBondContact O-N 2.92Å; G311-Y317 VanDerWaalsContact CA-CD2 3.44Å; G311-Y317 PolarHBondContact O-N 3.22Å
312S96.2Very high95.6Very high39 Ų3940.8 Ų40.827%0.27320%0.201SC..Hα-helixtrans-71.8-37.4168.6-174.30000111.8L308 I309 D310 G315 L318 N326L308-S312 WeakPolarHBondContact O-CB 3.29Å; L308-S312 PolarHBondContact O-N 3.46Å; I309-S312 WeakPolarHBondContact O-CB 3.41Å; I309-S312 PolarHBondContact O-N 3.07Å; I309-S312 VanDerWaalsContact O-N 3.15Å; D310-S312 PolarHBondContact O-N 2.75Å; S312-G315 PolarHBondContact O-N 2.94Å; S312-L318 WeakPolarHBondContact O-CD2 3.25Å; S312-N326 PolarHBondContact OG-ND2 3.49Å
313R95.5Very high96.1Very high178 Ų17842.8 Ų42.867%0.67221%0.206SC*.Hα-helixtrans-69-37.6176.6-68.8171.7177.2175.5-1.5111.8I309 D310 G315I309-R313 WeakPolarHBondContact O-CG 3.42Å; I309-R313 PolarHBondContact O-N 3.18Å; D310-R313 WeakPolarHBondContact O-CA 3.48Å; D310-R313 WeakPolarHBondContact O-CB 3.29Å; D310-R313 PolarHBondContact O-N 3.33Å; R313-G315 VanDerWaalsContact C-N 3.28Å; R313-G315 PolarHBondContact O-N 2.71Å
314E95.6Very high96.3Very high130 Ų13048 Ų4861%0.60723%0.232SC*.THydrogen-bonded Turntrans-78.9-9.3177-65.8169.7-172.200113.4D310 F316D310-E314 WeakPolarHBondContact O-CG 3.48Å; D310-E314 PolarHBondContact O-N 2.82Å; E314-F316 HydrophobicContact CB-CD2 3.6Å; E314-F316 HydrophobicContact CB-CE2 3.7Å; E314-F316 WeakPolarHBondContact OE2-CD2 3.09Å; E314-F316 VanDerWaalsContact OE2-CE2 3.26Å; E314-F316 WeakPolarHBondContact OE2-CE2 3.5Å
315G95.7Very high96.3Very high31 Ų3153.1 Ų53.132%0.3226%0.264SS..THydrogen-bonded Turntrans88.55.3177.500000115.8G311 S312 R313G311-G315 CarbonylContact O-C 3.51Å; G311-G315 PolarHBondContact O-N 3.19Å; G311-G315 VanDerWaalsContact O-N 3.16Å; S312-G315 PolarHBondContact O-N 2.94Å; R313-G315 VanDerWaalsContact C-N 3.28Å; R313-G315 PolarHBondContact O-N 2.71Å
316F96.9Very high96.2Very high80 Ų8055.2 Ų55.235%0.35128%0.275SS..SBendtrans-80-31.4178.1-60.8-58.6000114.2G269 Y287 G311 E314G269-F316 CarbonylContact C-O 3.56Å; G269-F316 VanDerWaalsContact CA-O 3.29Å; G269-F316 WeakPolarHBondContact CA-O 3.43Å; Y287-F316 HydrophobicContact CD2-CB 4.22Å; Y287-F316 HydrophobicContact CD2-CD1 4.13Å; Y287-F316 HydrophobicContact CE2-CB 4.32Å; Y287-F316 AromaticContact CE2-CD1 3.54Å; Y287-F316 HydrophobicContact CE2-CD1 3.54Å; Y287-F316 HydrophobicContact CE2-CE1 4.2Å; Y287-F316 HydrophobicContact CE2-CG 4.2Å; G311-F316 WeakPolarHBondContact O-CA 3.38Å; G311-F316 PolarHBondContact O-N 2.92Å; E314-F316 HydrophobicContact CB-CD2 3.6Å; E314-F316 HydrophobicContact CB-CE2 3.7Å; E314-F316 WeakPolarHBondContact OE2-CD2 3.09Å; E314-F316 VanDerWaalsContact OE2-CE2 3.26Å; E314-F316 WeakPolarHBondContact OE2-CE2 3.5Å
317Y97.7Very high96.3Very high18 Ų1855.4 Ų55.47%0.07128%0.28CS..SBendtrans-123.267.4-171.6-53.3-32.2000112.6Y271 V285 Y287 A307 L308 G311 N326Y271-Y317 VanDerWaalsContact CD1-CA 3.48Å; Y271-Y317 HydrophobicContact CD2-CD1 4.29Å; Y271-Y317 HydrophobicContact CD2-CG 4.36Å; Y271-Y317 VanDerWaalsContact CE1-C 3.41Å; Y271-Y317 WeakPolarHBondContact CE1-O 3.34Å; Y271-Y317 AromaticContact CG-CD1 3.98Å; Y271-Y317 HydrophobicContact CG-CD1 3.98Å; Y271-Y317 HydrophobicContact CG-CG 4.26Å; V285-Y317 HydrophobicContact CB-CE1 4.49Å; V285-Y317 HydrophobicContact CG1-CD1 4.09Å; V285-Y317 HydrophobicContact CG1-CE1 3.51Å; V285-Y317 HydrophobicContact CG1-CE2 4.38Å; Y287-Y317 AromaticContact CD1-CE1 3.78Å; Y287-Y317 HydrophobicContact CD1-CE1 3.78Å; Y287-Y317 HydrophobicContact CG-CD1 4.45Å; Y287-Y317 AromaticContact CG-CE1 3.91Å; Y287-Y317 HydrophobicContact CG-CE1 3.91Å; A307-Y317 WeakPolarHBondContact O-CE2 3.45Å; L308-Y317 HydrophobicContact CD2-CD2 3.98Å; L308-Y317 HydrophobicContact CD2-CE2 4.47Å; L308-Y317 HydrophobicContact CD2-CG 4.36Å; G311-Y317 VanDerWaalsContact CA-CD2 3.44Å; G311-Y317 PolarHBondContact O-N 3.22Å; Y317-N326 PolarHBondContact O-ND2 2.89Å
318L98Very high96.2Very high56 Ų5659.9 Ų59.929%0.29330%0.302SS..  trans-102.1-35.5-174.3-59.3177.8000113.5G269 S312 P320 N326G269-L318 PolarHBondContact O-N 3.45Å; S312-L318 WeakPolarHBondContact O-CD2 3.25Å; L318-P320 WeakPolarHBondContact O-CD 3.16Å; L318-N326 WeakPolarHBondContact O-CB 3.33Å
319Y98.4Very high96.1Very high74 Ų7460.1 Ų60.129%0.2930%0.304SS..EExtended strand (participates in β ladder)trans-121.285.8-169.9-51.2-69.3000111.1K267 P268 G269 S270 Y271 N321 G322 R323K267-Y319 HydrophobicContact CD-CD2 4.18Å; K267-Y319 HydrophobicContact CD-CG 4.14Å; K267-Y319 VanDerWaalsContact CE-CD1 3.43Å; K267-Y319 VanDerWaalsContact CE-CG 3.41Å; K267-Y319 HydrophobicContact CG-CD2 3.76Å; K267-Y319 HydrophobicContact CG-CE2 4.01Å; K267-Y319 HydrophobicContact CG-CG 4.23Å; P268-Y319 WeakPolarHBondContact O-CD2 3.47Å; P268-Y319 WeakPolarHBondContact O-CE2 3.39Å; G269-Y319 PolarHBondContact O-N 3.33Å; S270-Y319 WeakPolarHBondContact CA-O 3.38Å; Y271-Y319 PolarHBondContact N-O 3.4Å; Y271-Y319 VanDerWaalsContact N-O 3.13Å; Y319-N321 PolarHBondContact O-N 2.81Å; Y319-N321 VanDerWaalsContact O-N 3.1Å; Y319-G322 PolarHBondContact O-N 2.93Å; Y319-R323 VanDerWaalsContact CA-O 3.24Å; Y319-R323 WeakPolarHBondContact CA-O 3.31Å; Y319-R323 WeakPolarHBondContact CB-O 3.38Å
320P98Very high95.9Very high0 Ų062.9 Ų62.90%032%0.321CS..EExtended strand (participates in β ladder)trans-63.5117.8-174.925.4-34.4000110.5P246 A247 Y271 L318 G322 R323 V325P246-P320 HydrophobicContact CB-CB 4.31Å; P246-P320 HydrophobicContact CG-CB 3.8Å; P246-P320 HydrophobicContact CG-CG 3.79Å; A247-P320 HydrophobicContact CB-CB 3.62Å; Y271-P320 HydrophobicContact CE1-CB 3.8Å; Y271-P320 HydrophobicContact CE1-CG 4.4Å; Y271-P320 HydrophobicContact CE2-CB 4.47Å; L318-P320 WeakPolarHBondContact O-CD 3.16Å; P320-G322 PolarHBondContact O-N 2.83Å; P320-G322 VanDerWaalsContact O-N 3.17Å; P320-R323 VanDerWaalsContact O-CB 3.31Å; P320-R323 WeakPolarHBondContact O-CB 3.4Å; P320-R323 WeakPolarHBondContact O-CG 3.29Å; P320-R323 PolarHBondContact O-N 3.21Å; P320-V325 WeakPolarHBondContact CG-O 3.35Å
321N96.9Very high95.7Very high23 Ų2367.5 Ų67.512%0.12334%0.337CS..THydrogen-bonded Turntrans49.837.7-173.6-173.738.7000112.3P246 R260 F264 Y271 V272 Y319 R323P246-N321 WeakPolarHBondContact O-CB 3.31Å; R260-N321 VanDerWaalsContact CZ-OD1 3.25Å; R260-N321 PolarHBondContact NE-OD1 2.9Å; R260-N321 VanDerWaalsContact NH2-CG 3.27Å; R260-N321 PolarHBondContact NH2-ND2 2.81Å; R260-N321 PolarHBondContact NH2-OD1 2.86Å; F264-N321 WeakPolarHBondContact CZ-O 3.46Å; Y271-N321 PolarHBondContact O-N 3.3Å; V272-N321 HydrophobicContact CG1-CB 4.07Å; Y319-N321 PolarHBondContact O-N 2.81Å; Y319-N321 VanDerWaalsContact O-N 3.1Å; N321-R323 VanDerWaalsContact C-N 3.26Å; N321-R323 PolarHBondContact O-N 3.16Å
322G96.8Very high95.3Very high12 Ų1267.7 Ų67.712%0.12434%0.338CS..THydrogen-bonded Turntrans76.6-0-179.900000115.5K267 Y319 P320K267-G322 PolarHBondContact NZ-O 3.24Å; Y319-G322 PolarHBondContact O-N 2.93Å; P320-G322 PolarHBondContact O-N 2.83Å; P320-G322 VanDerWaalsContact O-N 3.17Å
323R97.2Very high94.7Very high134 Ų13468.7 Ų68.751%0.50634%0.34SS..  trans-72.5150.6179.1-60.5-179.4-177.9-175.40.7111.1Y319 P320 N321 V325Y319-R323 VanDerWaalsContact CA-O 3.24Å; Y319-R323 WeakPolarHBondContact CA-O 3.31Å; Y319-R323 WeakPolarHBondContact CB-O 3.38Å; P320-R323 VanDerWaalsContact O-CB 3.31Å; P320-R323 WeakPolarHBondContact O-CB 3.4Å; P320-R323 WeakPolarHBondContact O-CG 3.29Å; P320-R323 PolarHBondContact O-N 3.21Å; N321-R323 VanDerWaalsContact C-N 3.26Å; N321-R323 PolarHBondContact O-N 3.16Å; R323-V325 VanDerWaalsContact C-N 3.3Å; R323-V325 PolarHBondContact O-N 3.01Å
324N96.3Very high93.6Very high131 Ų13163.6 Ų63.670%0.70132%0.323SS*.SBendtrans-76.3-15.9-178.7-67.2-24.1000114.1K267K267-N324 PolarHBondContact NZ-OD1 2.89Å
325V95.6Very high92.1Very high113 Ų11363 Ų6369%0.68533%0.331SS*.  trans-106.2112.4-176.3-178.90000108.7P320 R323P320-V325 WeakPolarHBondContact CG-O 3.35Å; R323-V325 VanDerWaalsContact C-N 3.3Å; R323-V325 PolarHBondContact O-N 3.01Å
326N95.3Very high90.3Very high47 Ų4766.2 Ų66.225%0.25134%0.34SS..PPolyproline II helixtrans-87.1122.7168.8-153.419000109.1Y271 S312 Y317 L318 D328Y271-N326 PolarHBondContact OH-OD1 3.1Å; S312-N326 PolarHBondContact OG-ND2 3.49Å; Y317-N326 PolarHBondContact O-ND2 2.89Å; L318-N326 WeakPolarHBondContact O-CB 3.33Å; N326-D328 PolarHBondContact O-N 3.45Å
327P94.2Very high88.4Confident43 Ų4366.6 Ų66.628%0.27935%0.351SS..PPolyproline II helixtrans-61.7129.3171.4-18.129.3000110.3P246 L329P246-P327 HydrophobicContact CG-CG 3.73Å; P327-L329 PolarHBondContact O-N 3.11Å
328D93.9Very high86.9Confident100 Ų10071.5 Ų71.554%0.53537%0.374SS..PPolyproline II helixtrans-69.5127.4166.4179.620000108.8N326 T330 W331N326-D328 PolarHBondContact O-N 3.45Å; D328-T330 VanDerWaalsContact OD1-CB 3.22Å; D328-T330 WeakPolarHBondContact OD1-CB 3.28Å; D328-T330 PolarHBondContact OD1-N 2.98Å; D328-T330 PolarHBondContact OD1-OG1 3.36Å; D328-W331 PolarHBondContact O-NE1 3.35Å
329L94.2Very high85.5Confident10 Ų1069.4 Ų69.45%0.05237%0.366CS..  trans-110.50.9178.1-60.8-179.6000112.3I240 I305 L308 I309 P327 W331 A332 L333I240-L329 HydrophobicContact CG2-CD2 3.67Å; I305-L329 HydrophobicContact CG2-CB 4.16Å; L308-L329 HydrophobicContact CB-CD1 4.05Å; L308-L329 HydrophobicContact CD1-CD1 3.8Å; I309-L329 HydrophobicContact CD1-CB 4.26Å; I309-L329 HydrophobicContact CG1-CB 4.13Å; P327-L329 PolarHBondContact O-N 3.11Å; L329-W331 PolarHBondContact O-N 3.24Å; L329-A332 WeakPolarHBondContact O-CA 3.39Å; L329-A332 WeakPolarHBondContact O-CB 3.22Å; L329-A332 PolarHBondContact O-N 3.18Å; L329-L333 PolarHBondContact O-N 3.13Å
330T91.3Very high84.5Confident70 Ų7071 Ų7143%0.42938%0.376SS..G310 helixtrans-58.1-35.4-175.5-50.60000111.8D328 A332 L333D328-T330 VanDerWaalsContact OD1-CB 3.22Å; D328-T330 WeakPolarHBondContact OD1-CB 3.28Å; D328-T330 PolarHBondContact OD1-N 2.98Å; D328-T330 PolarHBondContact OD1-OG1 3.36Å; T330-A332 PolarHBondContact O-N 3.09Å; T330-L333 WeakPolarHBondContact O-CB 3.43Å; T330-L333 PolarHBondContact O-N 3.14Å
331W89.4Confident83.8Confident126 Ų12672.3 Ų72.348%0.47738%0.384SS..G310 helixtrans-68.1-20.5175.860.9-94.4000114.4I240 D328 L329I240-W331 HydrophobicContact CD1-CH2 3.38Å; I240-W331 HydrophobicContact CD1-CZ2 4.3Å; I240-W331 HydrophobicContact CD1-CZ3 3.61Å; I240-W331 HydrophobicContact CG1-CH2 3.68Å; I240-W331 HydrophobicContact CG1-CZ2 4.45Å; I240-W331 HydrophobicContact CG1-CZ3 4.37Å; D328-W331 PolarHBondContact O-NE1 3.35Å; L329-W331 PolarHBondContact O-N 3.24Å
332A88.2Confident83.2Confident6 Ų679 Ų795%0.0541%0.412CS..G310 helixtrans-89.4-14.4178.300000111.9I240 I305 L329 T330 Q334I240-A332 HydrophobicContact CD1-CB 3.56Å; I305-A332 HydrophobicContact CD1-CB 4.11Å; I305-A332 HydrophobicContact CG2-CB 4.47Å; L329-A332 WeakPolarHBondContact O-CA 3.39Å; L329-A332 WeakPolarHBondContact O-CB 3.22Å; L329-A332 PolarHBondContact O-N 3.18Å; T330-A332 PolarHBondContact O-N 3.09Å; A332-Q334 PolarHBondContact O-N 3.44Å; A332-Q334 VanDerWaalsContact O-N 3.13Å
333L84Confident82.5Confident61 Ų6178.8 Ų78.832%0.31941%0.408SS..  trans-69.7110.4175.2-169.966000108.6Q306 I309 L329 T330Q306-L333 HydrophobicContact CB-CD1 4.32Å; I309-L333 HydrophobicContact CD1-CB 4.15Å; I309-L333 HydrophobicContact CD1-CD2 4.36Å; L329-L333 PolarHBondContact O-N 3.13Å; T330-L333 WeakPolarHBondContact O-CB 3.43Å; T330-L333 PolarHBondContact O-N 3.14Å
334Q71.8Confident82Confident70 Ų7074.9 Ų74.933%0.32740%0.399SS..PPolyproline II helixtrans-83141.3162.6-66.3-169.1-19.300107.6T232 A332 L336T232-Q334 PolarHBondContact OG1-OE1 3.48Å; A332-Q334 PolarHBondContact O-N 3.44Å; A332-Q334 VanDerWaalsContact O-N 3.13Å; Q334-L336 PolarHBondContact O-N 3.17Å
335P63.9Low81.5Confident118 Ų11871.2 Ų71.277%0.76638%0.383SS*.PPolyproline II helixtrans-52.9121.8160.423.7-29.2000106P337P335-P337 WeakPolarHBondContact O-CD 3.31Å
336L59Low81.1Confident99 Ų9971.3 Ų71.352%0.51838%0.376SS..PPolyproline II helixtrans-52.1120.3167.8-79.1147000104.7Q334 E338Q334-L336 PolarHBondContact O-N 3.17Å; L336-E338 PolarHBondContact O-N 2.95Å
337P57.2Low80.6Confident88 Ų8870.8 Ų70.857%0.57137%0.372SS*.  trans-55115.3170.320.9-28000105.4P335 G339P335-P337 WeakPolarHBondContact O-CD 3.31Å; P337-G339 PolarHBondContact O-N 3.29Å
338E64.9Low80.2Confident120 Ų12072.4 Ų72.456%0.56137%0.373SS*.  trans-54.9119.2174.9-74173.4179.200105.8L336 H340 V411L336-E338 PolarHBondContact O-N 2.95Å; E338-H340 PolarHBondContact O-CD2 3.35Å; E338-H340 PolarHBondContact O-N 2.95Å; E338-V411 HydrophobicContact CB-CG2 4.14Å; E338-V411 HydrophobicContact CG-CG2 4.29Å; E338-V411 WeakPolarHBondContact OE2-CG2 3.48Å
339G69Low79.9Confident12 Ų1273.7 Ų73.712%0.12438%0.376CS..EExtended strand (participates in β ladder)trans-66.7102.5179.300000107.9P337 V341 E408 S409 I410 V411P337-G339 PolarHBondContact O-N 3.29Å; G339-V341 PolarHBondContact O-N 2.94Å; G339-E408 VanDerWaalsContact CA-OE1 3.31Å; G339-E408 WeakPolarHBondContact CA-OE1 3.42Å; G339-S409 PolarHBondContact N-O 3.43Å; G339-I410 WeakPolarHBondContact O-CA 3.42Å; G339-I410 WeakPolarHBondContact O-CB 3.32Å; G339-I410 WeakPolarHBondContact O-CG2 3.25Å; G339-V411 PolarHBondContact O-N 3.15Å
340H78.7Confident79.6Confident108 Ų10877.6 Ų77.650%0.540%0.396SS..EExtended strand (participates in β ladder)trans-75.5120.9176.5-76-92.3000109.7E338 V411 D413E338-H340 PolarHBondContact O-CD2 3.35Å; E338-H340 PolarHBondContact O-N 2.95Å; H340-V411 WeakPolarHBondContact CA-O 3.2Å; H340-D413 IonicContact CE1-OD1 3.23Å; H340-D413 IonicContact CG-OD1 2.95Å; H340-D413 IonicContact CG-OD2 2.74Å; H340-D413 IonicContact ND1-OD1 2.78Å; H340-D413 PolarHBondContact ND1-OD1 3.46Å; H340-D413 IonicContact ND1-OD2 3.03Å; H340-D413 PolarHBondContact ND1-OD2 3.35Å
341V82Confident79.3Confident28 Ų2876.1 Ų76.117%0.1738%0.383CS..EExtended strand (participates in β ladder)trans-102109.5170.6179.90000107.9G339 F358 L379 I410 V411 I412 D413G339-V341 PolarHBondContact O-N 2.94Å; V341-F358 HydrophobicContact CG1-CE1 4.03Å; V341-F358 HydrophobicContact CG1-CZ 4.26Å; V341-L379 HydrophobicContact CG1-CD1 4.08Å; V341-L379 HydrophobicContact CG2-CD1 4.24Å; V341-I410 HydrophobicContact CG2-CB 4.36Å; V341-I410 HydrophobicContact CG2-CD1 3.89Å; V341-I410 HydrophobicContact CG2-CG2 4.4Å; V341-V411 PolarHBondContact N-O 2.96Å; V341-I412 HydrophobicContact CB-CG1 4.39Å; V341-I412 WeakPolarHBondContact O-CA 3.02Å; V341-D413 PolarHBondContact O-N 3.08Å
342K83.9Confident79.2Confident162 Ų16273.3 Ų73.370%0.70438%0.381SS*.EExtended strand (participates in β ladder)trans-80.2123.8173.9-65.7-174178.9-174.40110D413K342-D413 HydrophobicContact CG-CB 4.35Å
343V82.7Confident79.2Confident8 Ų881.2 Ų81.25%0.04842%0.417CS..PPolyproline II helixtrans-77.2126.2171.7-173.50000108.4Q347 F358 I412 D413 F415V343-Q347 HydrophobicContact CG1-CB 3.85Å; V343-F358 HydrophobicContact CB-CG 4.44Å; V343-F358 HydrophobicContact CG1-CB 3.86Å; V343-F358 HydrophobicContact CG1-CD1 4.46Å; V343-F358 HydrophobicContact CG1-CD2 4.17Å; V343-F358 HydrophobicContact CG1-CG 3.92Å; V343-F358 HydrophobicContact CG2-CB 3.92Å; V343-F358 HydrophobicContact CG2-CD1 3.38Å; V343-F358 HydrophobicContact CG2-CD2 4.47Å; V343-F358 HydrophobicContact CG2-CE1 3.96Å; V343-F358 HydrophobicContact CG2-CG 3.67Å; V343-I412 HydrophobicContact CG2-CG2 3.47Å; V343-I412 VanDerWaalsContact CG2-CG2 3.47Å; V343-D413 WeakPolarHBondContact CG2-O 3.47Å; V343-D413 PolarHBondContact N-O 3.02Å; V343-F415 HydrophobicContact CB-CB 4.27Å
344T86.4Confident79.4Confident52 Ų5284.5 Ų84.532%0.31943%0.433SS..PPolyproline II helixtrans-74.8157.1175.781.20000110.7E346 Q347 Y348T344-E346 WeakPolarHBondContact CB-OE2 3.34Å; T344-E346 PolarHBondContact O-N 3.35Å; T344-E346 PolarHBondContact OG1-OE2 3.14Å; T344-Q347 VanDerWaalsContact N-OE1 3.14Å; T344-Q347 PolarHBondContact O-N 2.75Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.5Å; T344-Q347 PolarHBondContact OG1-N 2.92Å; T344-Y348 PolarHBondContact O-N 3.34Å
345P86.3Confident80.1Confident54 Ų5484.8 Ų84.835%0.35145%0.454SS..Hα-helixtrans-53.5-40.6174.7-21.729.7000112.6Y348 E349 F415P345-Y348 WeakPolarHBondContact O-CB 3.47Å; P345-Y348 PolarHBondContact O-N 3.47Å; P345-E349 PolarHBondContact O-N 3.1Å; P345-F415 HydrophobicContact CB-CE1 3.97Å; P345-F415 HydrophobicContact CB-CE2 4.12Å; P345-F415 HydrophobicContact CB-CZ 3.7Å; P345-F415 HydrophobicContact CG-CD2 4.27Å; P345-F415 HydrophobicContact CG-CE1 4.37Å; P345-F415 HydrophobicContact CG-CE2 3.61Å; P345-F415 HydrophobicContact CG-CZ 3.66Å
346E87Confident81.3Confident115 Ų11580.8 Ų80.854%0.53743%0.427SS..Hα-helixtrans-68.7-40.9-178.6-52.474-159.100111.1T344 Y348 E349 I350T344-E346 WeakPolarHBondContact CB-OE2 3.34Å; T344-E346 PolarHBondContact O-N 3.35Å; T344-E346 PolarHBondContact OG1-OE2 3.14Å; E346-Y348 VanDerWaalsContact C-N 3.29Å; E346-Y348 PolarHBondContact O-N 3.39Å; E346-E349 PolarHBondContact O-N 3.39Å; E346-I350 WeakPolarHBondContact O-CD1 3.39Å; E346-I350 VanDerWaalsContact O-CG1 3.26Å; E346-I350 WeakPolarHBondContact O-CG1 3.41Å; E346-I350 PolarHBondContact O-N 3.15Å; E346-I350 VanDerWaalsContact O-N 3.11Å
347Q85.6Confident82.7Confident36 Ų3679.2 Ų79.217%0.16842%0.422CS..Hα-helixtrans-63.1-39.4172.8-72.1172.6-1300111.1V343 T344 Y351 F358V343-Q347 HydrophobicContact CG1-CB 3.85Å; T344-Q347 VanDerWaalsContact N-OE1 3.14Å; T344-Q347 PolarHBondContact O-N 2.75Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.5Å; T344-Q347 PolarHBondContact OG1-N 2.92Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.38Å; Q347-Y351 PolarHBondContact O-N 3.18Å; Q347-F358 HydrophobicContact CB-CD2 4.26Å
348Y85.6Confident84.1Confident77 Ų7775.6 Ų75.630%0.30240%0.397SS..Hα-helixtrans-62.6-47.2177.6177.1-93.9000111.8T344 P345 E346 Y351 C352 F415 P417T344-Y348 PolarHBondContact O-N 3.34Å; P345-Y348 WeakPolarHBondContact O-CB 3.47Å; P345-Y348 PolarHBondContact O-N 3.47Å; E346-Y348 VanDerWaalsContact C-N 3.29Å; E346-Y348 PolarHBondContact O-N 3.39Å; Y348-Y351 PolarHBondContact O-N 3.07Å; Y348-C352 WeakPolarHBondContact CE1-SG 3.28Å; Y348-C352 VanDerWaalsContact CZ-SG 3.5Å; Y348-C352 PolarHBondContact O-N 2.98Å; Y348-C352 PolarHBondContact O-SG 3.04Å; Y348-F415 AromaticContact CD1-CD1 3.9Å; Y348-F415 HydrophobicContact CD1-CD1 3.9Å; Y348-F415 HydrophobicContact CD1-CE1 4.42Å; Y348-F415 HydrophobicContact CD2-CB 4.26Å; Y348-F415 HydrophobicContact CD2-CD1 4.29Å; Y348-F415 HydrophobicContact CG-CB 4.32Å; Y348-F415 AromaticContact CG-CD1 3.72Å; Y348-F415 HydrophobicContact CG-CD1 3.72Å; Y348-F415 HydrophobicContact CG-CG 4.47Å; Y348-P417 HydrophobicContact CD1-CG 4.18Å; Y348-P417 HydrophobicContact CE1-CG 3.44Å; Y348-P417 VanDerWaalsContact CE1-CG 3.44Å
349E87.6Confident85.4Confident128 Ų12870.9 Ų70.960%0.59838%0.375SS*.Hα-helixtrans-59.5-48.9177.7-83.7179.7162.600112.4P345 E346 Y351 C352 E353P345-E349 PolarHBondContact O-N 3.1Å; E346-E349 PolarHBondContact O-N 3.39Å; E349-Y351 VanDerWaalsContact C-N 3.28Å; E349-Y351 PolarHBondContact O-N 3.5Å; E349-C352 WeakPolarHBondContact O-CB 3.26Å; E349-C352 PolarHBondContact O-N 3.25Å; E349-C352 VanDerWaalsContact O-N 3.1Å; E349-E353 PolarHBondContact O-N 3.34Å
350I86.6Confident86.5Confident91 Ų9172.2 Ų72.247%0.46738%0.379SS..Hα-helixtrans-55.6-45.1179-68.6164.6000111.2E346 E353 M354E346-I350 WeakPolarHBondContact O-CD1 3.39Å; E346-I350 VanDerWaalsContact O-CG1 3.26Å; E346-I350 WeakPolarHBondContact O-CG1 3.41Å; E346-I350 PolarHBondContact O-N 3.15Å; E346-I350 VanDerWaalsContact O-N 3.11Å; I350-E353 PolarHBondContact O-N 2.96Å; I350-M354 HydrophobicContact CG2-SD 4.05Å; I350-M354 VanDerWaalsContact O-CG 3.27Å; I350-M354 WeakPolarHBondContact O-CG 3.49Å; I350-M354 PolarHBondContact O-N 3Å
351Y86.1Confident87.3Confident40 Ų4067.1 Ų67.116%0.15736%0.356CS..Hα-helixtrans-69.3-37.6-179.2-85.2-104.1000111.9Q347 Y348 E349 M354 G355 T356 T357 F358Q347-Y351 WeakPolarHBondContact O-CD2 3.38Å; Q347-Y351 PolarHBondContact O-N 3.18Å; Y348-Y351 PolarHBondContact O-N 3.07Å; E349-Y351 VanDerWaalsContact C-N 3.28Å; E349-Y351 PolarHBondContact O-N 3.5Å; Y351-M354 PolarHBondContact O-N 3.26Å; Y351-G355 PolarHBondContact O-N 3.47Å; Y351-T356 CarbonylContact C-O 3.51Å; Y351-T356 HydrophobicContact CD1-CG2 3.8Å; Y351-T356 HydrophobicContact CG-CG2 4.5Å; Y351-T356 CarbonylContact O-C 3.52Å; Y351-T356 PolarHBondContact O-N 2.89Å; Y351-T357 WeakPolarHBondContact CD1-O 3.17Å; Y351-T357 VanDerWaalsContact CE1-O 3.29Å; Y351-T357 WeakPolarHBondContact CE1-O 3.5Å; Y351-F358 HydrophobicContact CD1-CB 4.35Å; Y351-F358 VanDerWaalsContact CD1-N 3.33Å; Y351-F358 HydrophobicContact CD2-CB 4.37Å; Y351-F358 HydrophobicContact CD2-CD2 4.15Å; Y351-F358 VanDerWaalsContact CE1-CA 3.49Å; Y351-F358 HydrophobicContact CE1-CB 4.37Å; Y351-F358 HydrophobicContact CE2-CB 4.43Å; Y351-F358 AromaticContact CE2-CD2 3.57Å; Y351-F358 HydrophobicContact CE2-CD2 3.57Å; Y351-F358 HydrophobicContact CE2-CE2 4.32Å; Y351-F358 HydrophobicContact CE2-CG 4.4Å; Y351-F358 HydrophobicContact CG-CB 4.29Å; Y351-F358 AromaticContact CZ-CD2 3.77Å
352C86.6Confident87.8Confident66 Ų6670 Ų7045%0.44637%0.366SS..Hα-helixtrans-60.9-45.1174.5-69.20000112.2Y348 E349 M354 G355Y348-C352 WeakPolarHBondContact CE1-SG 3.28Å; Y348-C352 VanDerWaalsContact CZ-SG 3.5Å; Y348-C352 PolarHBondContact O-N 2.98Å; Y348-C352 PolarHBondContact O-SG 3.04Å; E349-C352 WeakPolarHBondContact O-CB 3.26Å; E349-C352 PolarHBondContact O-N 3.25Å; E349-C352 VanDerWaalsContact O-N 3.1Å; C352-M354 VanDerWaalsContact C-N 3.26Å; C352-M354 PolarHBondContact O-N 2.93Å; C352-G355 PolarHBondContact O-N 3.31Å; C352-G355 VanDerWaalsContact O-N 3.07Å
353E89Confident88.3Confident173 Ų17365.4 Ų65.481%0.80835%0.349SS*.Hα-helixtrans-61-35.7176.7-71-178169.100112.4E349 I350 G355E349-E353 PolarHBondContact O-N 3.34Å; I350-E353 PolarHBondContact O-N 2.96Å; E353-G355 PolarHBondContact O-N 2.8Å
354M87.3Confident88.9Confident130 Ų13066.6 Ų66.664%0.6436%0.357SS*.THydrogen-bonded Turntrans-79.30.4177.7-66.4178.976.100113.8I350 Y351 C352 T356I350-M354 HydrophobicContact CG2-SD 4.05Å; I350-M354 VanDerWaalsContact O-CG 3.27Å; I350-M354 WeakPolarHBondContact O-CG 3.49Å; I350-M354 PolarHBondContact O-N 3Å; Y351-M354 PolarHBondContact O-N 3.26Å; C352-M354 VanDerWaalsContact C-N 3.26Å; C352-M354 PolarHBondContact O-N 2.93Å; M354-T356 VanDerWaalsContact C-N 3.32Å; M354-T356 HydrophobicContact CB-CG2 3.72Å; M354-T356 PolarHBondContact O-N 3.26Å
355G85.8Confident89.2Confident76 Ų7667.2 Ų67.278%0.78437%0.368SS*.THydrogen-bonded Turntrans66.430.4-178.300000113.7Y351 C352 E353Y351-G355 PolarHBondContact O-N 3.47Å; C352-G355 PolarHBondContact O-N 3.31Å; C352-G355 VanDerWaalsContact O-N 3.07Å; E353-G355 PolarHBondContact O-N 2.8Å
356T89.5Confident89.5Confident33 Ų3372.1 Ų72.120%0.20239%0.386CS..  trans-139.7175.3-177.8-178.70000109.9Y351 M354 K362Y351-T356 CarbonylContact C-O 3.51Å; Y351-T356 HydrophobicContact CD1-CG2 3.8Å; Y351-T356 HydrophobicContact CG-CG2 4.5Å; Y351-T356 CarbonylContact O-C 3.52Å; Y351-T356 PolarHBondContact O-N 2.89Å; M354-T356 VanDerWaalsContact C-N 3.32Å; M354-T356 HydrophobicContact CB-CG2 3.72Å; M354-T356 PolarHBondContact O-N 3.26Å; T356-K362 PolarHBondContact OG1-NZ 3.16Å
357T87.9Confident89.9Confident66 Ų6670.1 Ų70.141%0.40538%0.379SS..  trans-120.4152179.773.50000110.3Y351 Q359 L360Y351-T357 WeakPolarHBondContact CD1-O 3.17Å; Y351-T357 VanDerWaalsContact CE1-O 3.29Å; Y351-T357 WeakPolarHBondContact CE1-O 3.5Å; T357-Q359 VanDerWaalsContact CB-OE1 3.22Å; T357-Q359 PolarHBondContact O-N 3.44Å; T357-Q359 PolarHBondContact OG1-OE1 3.41Å; T357-L360 PolarHBondContact O-N 3.31Å; T357-L360 WeakPolarHBondContact OG1-CB 3.16Å; T357-L360 PolarHBondContact OG1-N 3.45Å
358F88.5Confident90.3Very high12 Ų1273.1 Ų73.15%0.05340%0.396CS..SBendtrans-61.2-32177.3-175.3-83.6000111V341 V343 Q347 Y351 K369 L379 I412V341-F358 HydrophobicContact CG1-CE1 4.03Å; V341-F358 HydrophobicContact CG1-CZ 4.26Å; V343-F358 HydrophobicContact CB-CG 4.44Å; V343-F358 HydrophobicContact CG1-CB 3.86Å; V343-F358 HydrophobicContact CG1-CD1 4.46Å; V343-F358 HydrophobicContact CG1-CD2 4.17Å; V343-F358 HydrophobicContact CG1-CG 3.92Å; V343-F358 HydrophobicContact CG2-CB 3.92Å; V343-F358 HydrophobicContact CG2-CD1 3.38Å; V343-F358 HydrophobicContact CG2-CD2 4.47Å; V343-F358 HydrophobicContact CG2-CE1 3.96Å; V343-F358 HydrophobicContact CG2-CG 3.67Å; Q347-F358 HydrophobicContact CB-CD2 4.26Å; Y351-F358 HydrophobicContact CD1-CB 4.35Å; Y351-F358 VanDerWaalsContact CD1-N 3.33Å; Y351-F358 HydrophobicContact CD2-CB 4.37Å; Y351-F358 HydrophobicContact CD2-CD2 4.15Å; Y351-F358 VanDerWaalsContact CE1-CA 3.49Å; Y351-F358 HydrophobicContact CE1-CB 4.37Å; Y351-F358 HydrophobicContact CE2-CB 4.43Å; Y351-F358 AromaticContact CE2-CD2 3.57Å; Y351-F358 HydrophobicContact CE2-CD2 3.57Å; Y351-F358 HydrophobicContact CE2-CE2 4.32Å; Y351-F358 HydrophobicContact CE2-CG 4.4Å; Y351-F358 HydrophobicContact CG-CB 4.29Å; Y351-F358 AromaticContact CZ-CD2 3.77Å; F358-K369 WeakPolarHBondContact O-CE 2.97Å; F358-K369 PolarHBondContact O-NZ 2.56Å; F358-L379 HydrophobicContact CE1-CD1 4.05Å; F358-L379 HydrophobicContact CZ-CD1 4.15Å; F358-I412 HydrophobicContact CD1-CD1 4.04Å; F358-I412 HydrophobicContact CD1-CG2 3.74Å; F358-I412 HydrophobicContact CE1-CD1 4.05Å; F358-I412 HydrophobicContact CE1-CG2 4.13Å
359Q91.5Very high90.7Very high21 Ų2170 Ų7010%0.09838%0.384CS..SBendtrans-66.2-38.9-179.7-60.274.86.500111.4T357 C361 D368 K369 I412T357-Q359 VanDerWaalsContact CB-OE1 3.22Å; T357-Q359 PolarHBondContact O-N 3.44Å; T357-Q359 PolarHBondContact OG1-OE1 3.41Å; Q359-C361 PolarHBondContact O-N 2.82Å; Q359-D368 HydrophobicContact CB-CB 4.27Å; Q359-D368 VanDerWaalsContact CB-OD1 3.31Å; Q359-D368 WeakPolarHBondContact CB-OD1 3.28Å; Q359-D368 CarbonylContact O-C 3.16Å; Q359-D368 WeakPolarHBondContact O-CA 2.94Å; Q359-K369 WeakPolarHBondContact O-CB 3.29Å; Q359-K369 VanDerWaalsContact O-CG 3.26Å; Q359-K369 WeakPolarHBondContact O-CG 3.34Å; Q359-K369 PolarHBondContact O-N 3.43Å; Q359-I412 HydrophobicContact CG-CB 4.27Å; Q359-I412 HydrophobicContact CG-CG2 3.94Å
360L92.5Very high91Very high40 Ų4066.8 Ų66.821%0.20937%0.371CS..BIsolated β-bridgetrans-66.3132.2-170.9-160.568.7000113.1T357 K362 A365 K369T357-L360 PolarHBondContact O-N 3.31Å; T357-L360 WeakPolarHBondContact OG1-CB 3.16Å; T357-L360 PolarHBondContact OG1-N 3.45Å; L360-K362 PolarHBondContact O-N 2.96Å; L360-A365 HydrophobicContact CD2-CB 4.21Å; L360-A365 WeakPolarHBondContact CD2-O 3.04Å; L360-K369 PolarHBondContact O-NZ 2.91Å
361C94.7Very high91.3Very high1 Ų162.8 Ų62.81%0.00735%0.351CS..  trans-63.3130.5177.2-179.50000111.4Q359 I363 A365 N367 K369 C381Q359-C361 PolarHBondContact O-N 2.82Å; C361-I363 PolarHBondContact O-N 3.18Å; C361-A365 VanDerWaalsContact O-CA 3.24Å; C361-A365 WeakPolarHBondContact O-CA 3.38Å; C361-A365 PolarHBondContact O-N 2.72Å; C361-N367 WeakPolarHBondContact CB-O 3.43Å; C361-N367 PolarHBondContact N-O 2.98Å; C361-K369 HydrophobicContact CB-CG 4.03Å; C361-C381 HydrophobicContact CB-CB 4.04Å; C361-C381 VanDerWaalsContact SG-SG 3.67Å
362K93.1Very high91.7Very high88 Ų8862.8 Ų62.838%0.38335%0.351SS..THydrogen-bonded Turntrans-76.1-5.6-178.7-63.8-57.4-170.6-170.60114.4T356 L360 F399T356-K362 PolarHBondContact OG1-NZ 3.16Å; L360-K362 PolarHBondContact O-N 2.96Å; K362-F399 HydrophobicContact CB-CE1 4.26Å
363I93.7Very high92Very high66 Ų6659.6 Ų59.634%0.33833%0.33SS..THydrogen-bonded Turntrans-94.1-54.8178.9-61173.7000110.6C361 L380 C384 P398 F399C361-I363 PolarHBondContact O-N 3.18Å; I363-L380 HydrophobicContact CD1-CD1 3.86Å; I363-C384 HydrophobicContact CB-CB 4.17Å; I363-C384 HydrophobicContact CD1-CB 4.14Å; I363-C384 HydrophobicContact CG2-CB 4.16Å; I363-P398 HydrophobicContact CD1-CB 4.14Å; I363-P398 HydrophobicContact CD1-CG 3.87Å; I363-F399 HydrophobicContact CD1-CE1 4.49Å; I363-F399 HydrophobicContact CD1-CE2 4.49Å; I363-F399 HydrophobicContact CD1-CZ 3.94Å; I363-F399 HydrophobicContact CG1-CE1 4.21Å; I363-F399 HydrophobicContact CG1-CZ 3.99Å
364C95.5Very high92.2Very high34 Ų3451.8 Ų51.823%0.2329%0.293CS..THydrogen-bonded Turntrans-93-22.818059.40000114.3E366 N367 C384C364-E366 HydrophobicContact CB-CB 4.37Å; C364-E366 WeakPolarHBondContact O-CG 3.49Å; C364-E366 PolarHBondContact O-N 3.21Å; C364-E366 VanDerWaalsContact O-N 3.11Å; C364-N367 PolarHBondContact SG-N 2.64Å; C364-C384 VanDerWaalsContact SG-SG 3.67Å
365A92.2Very high92.3Very high65 Ų6547.2 Ų47.254%0.53727%0.273SS..SBendtrans54.822-171.800000114.7L360 C361L360-A365 HydrophobicContact CD2-CB 4.21Å; L360-A365 WeakPolarHBondContact CD2-O 3.04Å; C361-A365 VanDerWaalsContact O-CA 3.24Å; C361-A365 WeakPolarHBondContact O-CA 3.38Å; C361-A365 PolarHBondContact O-N 2.72Å
366E93.3Very high92.7Very high157 Ų15744.7 Ų44.773%0.73424%0.243SC*.SBendtrans-121.8-43.2-176.9-73.1172-17600112.3C364C364-E366 HydrophobicContact CB-CB 4.37Å; C364-E366 WeakPolarHBondContact O-CG 3.49Å; C364-E366 PolarHBondContact O-N 3.21Å; C364-E366 VanDerWaalsContact O-N 3.11Å
367N94.3Very high92.9Very high72 Ų7244.9 Ų44.939%0.38525%0.252SS..SBendtrans-101.4147.1-176.7-62.5-74.4000110.9C361 C364 C381C361-N367 WeakPolarHBondContact CB-O 3.43Å; C361-N367 PolarHBondContact N-O 2.98Å; C364-N367 PolarHBondContact SG-N 2.64Å; N367-C381 HydrophobicContact CB-CB 3.81Å
368D94.2Very high93.2Very high99 Ų9943.5 Ų43.553%0.52924%0.241SC..BIsolated β-bridgetrans-70.6151.4169.2-74-21.8000111.4Q359 D370 C381Q359-D368 HydrophobicContact CB-CB 4.27Å; Q359-D368 VanDerWaalsContact CB-OD1 3.31Å; Q359-D368 WeakPolarHBondContact CB-OD1 3.28Å; Q359-D368 CarbonylContact O-C 3.16Å; Q359-D368 WeakPolarHBondContact O-CA 2.94Å; D368-D370 PolarHBondContact O-N 2.9Å; D368-C381 VanDerWaalsContact O-CB 3.25Å; D368-C381 WeakPolarHBondContact O-CB 3.47Å
369K94.9Very high93.5Very high11 Ų1144.1 Ų44.15%0.04825%0.245CC..PPolyproline II helixtrans-76.1120.5178.1-65.3-174.9-75-1120108.9F358 Q359 L360 C361 L379 L380 I412F358-K369 WeakPolarHBondContact O-CE 2.97Å; F358-K369 PolarHBondContact O-NZ 2.56Å; Q359-K369 WeakPolarHBondContact O-CB 3.29Å; Q359-K369 VanDerWaalsContact O-CG 3.26Å; Q359-K369 WeakPolarHBondContact O-CG 3.34Å; Q359-K369 PolarHBondContact O-N 3.43Å; L360-K369 PolarHBondContact O-NZ 2.91Å; C361-K369 HydrophobicContact CB-CG 4.03Å; K369-L379 HydrophobicContact CB-CB 4.28Å; K369-L379 HydrophobicContact CD-CB 3.71Å; K369-L379 VanDerWaalsContact CD-O 3.25Å; K369-L379 WeakPolarHBondContact CD-O 3.43Å; K369-L380 VanDerWaalsContact CA-O 3.32Å; K369-L380 WeakPolarHBondContact CA-O 3.48Å; K369-I412 HydrophobicContact CB-CD1 3.76Å; K369-I412 WeakPolarHBondContact O-CD1 3.35Å
370D93.5Very high93.7Very high62 Ų6243.1 Ų43.133%0.33224%0.24SC..  trans-124.90.1-175.766.1-19000111.9D368 L380 C381 T382 S409 I410D368-D370 PolarHBondContact O-N 2.9Å; D370-L380 PolarHBondContact N-O 3.5Å; D370-L380 VanDerWaalsContact N-O 3.17Å; D370-C381 VanDerWaalsContact OD1-C 3.31Å; D370-C381 WeakPolarHBondContact OD1-CA 3.3Å; D370-T382 PolarHBondContact OD1-N 3.01Å; D370-T382 PolarHBondContact OD1-OG1 3.34Å; D370-T382 VanDerWaalsContact OD1-OG1 3.08Å; D370-T382 WeakPolarHBondContact OD2-CB 3.38Å; D370-T382 PolarHBondContact OD2-OG1 2.95Å; D370-S409 WeakPolarHBondContact O-CA 3.23Å; D370-I410 PolarHBondContact O-N 3.28Å
371I93.4Very high93.9Very high7 Ų741.3 Ų41.34%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-139.2138.8-179.2-155.8166.2000112.9L379 L380 L385 T407 E408I371-L379 WeakPolarHBondContact O-CA 3.47Å; I371-L380 HydrophobicContact CG2-CD2 3.9Å; I371-L380 HydrophobicContact CG2-CG 4.11Å; I371-L380 WeakPolarHBondContact CG2-O 3.3Å; I371-L380 PolarHBondContact N-O 3.24Å; I371-L380 VanDerWaalsContact N-O 3.15Å; I371-L380 PolarHBondContact O-N 2.96Å; I371-L380 VanDerWaalsContact O-N 3.08Å; I371-L385 HydrophobicContact CD1-CD2 3.79Å; I371-L385 HydrophobicContact CG2-CB 4.4Å; I371-L385 HydrophobicContact CG2-CD2 4.18Å; I371-T407 HydrophobicContact CD1-CG2 4.05Å; I371-T407 HydrophobicContact CG1-CG2 4.4Å; I371-E408 WeakPolarHBondContact CG1-O 3.47Å
372K93.7Very high93.9Very high39 Ų3943.2 Ų43.217%0.1724%0.242CC..EExtended strand (participates in β ladder)trans-107.9129.1174.6-179.2175.971.1-162.30110H378 L379 T407 E408 I410K372-H378 WeakPolarHBondContact CA-O 3.31Å; K372-L379 HydrophobicContact CB-CD2 3.48Å; K372-L379 VanDerWaalsContact CB-CD2 3.48Å; K372-L379 HydrophobicContact CD-CD2 4.18Å; K372-L379 HydrophobicContact CG-CD2 3.65Å; K372-T407 CarbonylContact O-C 3.51Å; K372-T407 VanDerWaalsContact O-CA 3.25Å; K372-T407 WeakPolarHBondContact O-CA 3.3Å; K372-E408 HydrophobicContact CB-CB 4.49Å; K372-E408 WeakPolarHBondContact CE-OE2 3.47Å; K372-E408 PolarHBondContact N-O 3.42Å; K372-E408 IonicContact NZ-OE1 3.81Å; K372-E408 PolarHBondContact NZ-OE1 3.34Å; K372-E408 IonicContact NZ-OE2 3.44Å; K372-E408 PolarHBondContact NZ-OE2 2.88Å; K372-E408 PolarHBondContact O-N 2.48Å; K372-I410 HydrophobicContact CB-CG1 4.49Å; K372-I410 HydrophobicContact CB-CG2 3.68Å; K372-I410 HydrophobicContact CD-CG2 4.45Å
373I93.7Very high94Very high0 Ų042.5 Ų42.50%025%0.246CC..EExtended strand (participates in β ladder)trans-81.9136.7173.8-63.3175.8000109.8C376 G377 H378 L380 L385 C397 I404I373-C376 WeakPolarHBondContact CG2-SG 3.38Å; I373-G377 VanDerWaalsContact O-CA 3.26Å; I373-G377 WeakPolarHBondContact O-CA 3.36Å; I373-G377 PolarHBondContact O-N 3.05Å; I373-H378 PolarHBondContact N-O 2.95Å; I373-L380 HydrophobicContact CD1-CD2 3.52Å; I373-L380 HydrophobicContact CG1-CD2 3.61Å; I373-L385 HydrophobicContact CD1-CD1 4.18Å; I373-L385 HydrophobicContact CG1-CD1 4.42Å; I373-C397 HydrophobicContact CD1-CB 4.22Å; I373-C397 HydrophobicContact CG2-CB 4.4Å; I373-I404 HydrophobicContact CD1-CD1 4.06Å; I373-I404 HydrophobicContact CG2-CB 4.35Å; I373-I404 HydrophobicContact CG2-CD1 4.28Å; I373-I404 HydrophobicContact CG2-CG1 3.77Å; I373-I404 HydrophobicContact CG2-CG2 4.14Å
374E92.6Very high94.1Very high9 Ų940.1 Ų40.14%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-111.9143.1173.6-59.1174.2140.300111.6T162 K163 K405 G406T162-E374 HydrophobicContact CG2-CB 3.48Å; T162-E374 VanDerWaalsContact CG2-CB 3.48Å; T162-E374 HydrophobicContact CG2-CG 4.44Å; K163-E374 WeakPolarHBondContact CD-OE1 3.41Å; K163-E374 WeakPolarHBondContact CD-OE2 3.46Å; K163-E374 WeakPolarHBondContact CE-OE2 3.33Å; K163-E374 IonicContact NZ-OE1 2.75Å; K163-E374 PolarHBondContact NZ-OE1 3.32Å; K163-E374 IonicContact NZ-OE2 3.63Å; K163-E374 PolarHBondContact NZ-OE2 3.02Å; E374-K405 PolarHBondContact O-N 3.09Å; E374-G406 PolarHBondContact N-O 3.1Å; E374-G406 PolarHBondContact O-N 3.36Å
375P90.6Very high94.1Very high34 Ų3438.6 Ų38.622%0.22123%0.225CC..THydrogen-bonded Turncis-86.5-2.13.332.9-35.7000114.7R160 G377R160-P375 HydrophobicContact CB-CB 3.99Å; R160-P375 HydrophobicContact CB-CG 4.19Å; P375-G377 VanDerWaalsContact C-N 3.33Å; P375-G377 PolarHBondContact O-N 3.41Å
376C93.5Very high94.1Very high22 Ų2239.3 Ų39.315%0.14922%0.219CC..THydrogen-bonded Turntrans-75-18.9-166.4690000114.7I373 H378 C397 C400 C402I373-C376 WeakPolarHBondContact CG2-SG 3.38Å; C376-H378 VanDerWaalsContact C-N 3.29Å; C376-H378 PolarHBondContact O-N 3.1Å; C376-H378 PolarHBondContact SG-ND1 3.14Å; C376-C397 VanDerWaalsContact SG-SG 3.66Å; C376-C400 VanDerWaalsContact CB-SG 3.53Å; C376-C402 HydrophobicContact CB-CB 4.41Å
377G92.5Very high94.1Very high37 Ų3735.7 Ų35.738%0.38121%0.211SC..  trans78.93.5177.200000115.1I373 P375I373-G377 VanDerWaalsContact O-CA 3.26Å; I373-G377 WeakPolarHBondContact O-CA 3.36Å; I373-G377 PolarHBondContact O-N 3.05Å; P375-G377 VanDerWaalsContact C-N 3.33Å; P375-G377 PolarHBondContact O-N 3.41Å
378H94.9Very high94.1Very high37 Ų3735 Ų3517%0.17120%0.204CC..  trans-67.8143.6179.7-72.496.3000111.7K372 I373 C376 F399 C400K372-H378 WeakPolarHBondContact CA-O 3.31Å; I373-H378 PolarHBondContact N-O 2.95Å; C376-H378 VanDerWaalsContact C-N 3.29Å; C376-H378 PolarHBondContact O-N 3.1Å; C376-H378 PolarHBondContact SG-ND1 3.14Å; H378-F399 HydrophobicContact CB-CD2 3.58Å; H378-F399 HydrophobicContact CB-CE2 4.21Å; H378-F399 HydrophobicContact CB-CG 4.36Å; H378-F399 AromaticContact CD2-CD2 4Å; H378-F399 AromaticContact CD2-CG 3.92Å; H378-F399 AromaticContact CG-CD2 3.86Å; H378-C400 VanDerWaalsContact CE1-CB 3.45Å; H378-C400 WeakPolarHBondContact CE1-CB 3.32Å; H378-C400 VanDerWaalsContact CE1-SG 3.54Å; H378-C400 PolarHBondContact ND1-SG 3.29Å
379L95.5Very high93.9Very high26 Ų2632.7 Ų32.714%0.13619%0.189CC..EExtended strand (participates in β ladder)trans-109.7137.9-175.2-53.2-178.7000110.2V341 F358 K369 I371 K372 I410V341-L379 HydrophobicContact CG1-CD1 4.08Å; V341-L379 HydrophobicContact CG2-CD1 4.24Å; F358-L379 HydrophobicContact CE1-CD1 4.05Å; F358-L379 HydrophobicContact CZ-CD1 4.15Å; K369-L379 HydrophobicContact CB-CB 4.28Å; K369-L379 HydrophobicContact CD-CB 3.71Å; K369-L379 VanDerWaalsContact CD-O 3.25Å; K369-L379 WeakPolarHBondContact CD-O 3.43Å; I371-L379 WeakPolarHBondContact O-CA 3.47Å; K372-L379 HydrophobicContact CB-CD2 3.48Å; K372-L379 VanDerWaalsContact CB-CD2 3.48Å; K372-L379 HydrophobicContact CD-CD2 4.18Å; K372-L379 HydrophobicContact CG-CD2 3.65Å; L379-I410 HydrophobicContact CD1-CD1 4.07Å; L379-I410 HydrophobicContact CD2-CD1 3.71Å; L379-I410 HydrophobicContact CD2-CG1 4.41Å; L379-I410 HydrophobicContact CG-CD1 4.35Å
380L95.9Very high93.6Very high0 Ų040.1 Ų40.10%022%0.224CC..EExtended strand (participates in β ladder)trans-154.3-178.6173.667.9171.6000109.8I363 K369 D370 I371 I373 C384 L385 P398 F399I363-L380 HydrophobicContact CD1-CD1 3.86Å; K369-L380 VanDerWaalsContact CA-O 3.32Å; K369-L380 WeakPolarHBondContact CA-O 3.48Å; D370-L380 PolarHBondContact N-O 3.5Å; D370-L380 VanDerWaalsContact N-O 3.17Å; I371-L380 HydrophobicContact CG2-CD2 3.9Å; I371-L380 HydrophobicContact CG2-CG 4.11Å; I371-L380 WeakPolarHBondContact CG2-O 3.3Å; I371-L380 PolarHBondContact N-O 3.24Å; I371-L380 VanDerWaalsContact N-O 3.15Å; I371-L380 PolarHBondContact O-N 2.96Å; I371-L380 VanDerWaalsContact O-N 3.08Å; I373-L380 HydrophobicContact CD1-CD2 3.52Å; I373-L380 HydrophobicContact CG1-CD2 3.61Å; L380-C384 HydrophobicContact CD1-CB 4.32Å; L380-L385 HydrophobicContact CD1-CB 3.82Å; L380-L385 HydrophobicContact CD1-CD1 4.27Å; L380-L385 HydrophobicContact CG-CB 4.14Å; L380-P398 HydrophobicContact CD1-CG 4.08Å; L380-F399 HydrophobicContact CB-CE2 4.05Å; L380-F399 HydrophobicContact CB-CZ 4.2Å; L380-F399 HydrophobicContact CD1-CE2 4.47Å; L380-F399 HydrophobicContact CD2-CE2 4.48Å
381C95.6Very high93.4Very high1 Ų139.6 Ų39.61%0.00723%0.225CC..  trans-90.5148.6171.770.80000111.7C361 N367 D368 D370 C384 L385C361-C381 HydrophobicContact CB-CB 4.04Å; C361-C381 VanDerWaalsContact SG-SG 3.67Å; N367-C381 HydrophobicContact CB-CB 3.81Å; D368-C381 VanDerWaalsContact O-CB 3.25Å; D368-C381 WeakPolarHBondContact O-CB 3.47Å; D370-C381 VanDerWaalsContact OD1-C 3.31Å; D370-C381 WeakPolarHBondContact OD1-CA 3.3Å; C381-C384 PolarHBondContact O-N 3.33Å; C381-C384 VanDerWaalsContact O-N 3.14Å; C381-C384 VanDerWaalsContact SG-CB 3.57Å; C381-C384 PolarHBondContact SG-SG 3.22Å; C381-L385 PolarHBondContact O-N 2.97Å
382T94.6Very high92.8Very high42 Ų4249.2 Ų49.226%0.25827%0.27SS..Hα-helixtrans-52.6-45.1178.8-60.90000112.4D370 C384 L385 L386D370-T382 PolarHBondContact OD1-N 3.01Å; D370-T382 PolarHBondContact OD1-OG1 3.34Å; D370-T382 VanDerWaalsContact OD1-OG1 3.08Å; D370-T382 WeakPolarHBondContact OD2-CB 3.38Å; D370-T382 PolarHBondContact OD2-OG1 2.95Å; T382-C384 PolarHBondContact O-N 3.39Å; T382-L385 PolarHBondContact O-N 3.5Å; T382-L386 HydrophobicContact CG2-CD1 3.97Å; T382-L386 HydrophobicContact CG2-CG 4.22Å; T382-L386 WeakPolarHBondContact O-CG 3.4Å; T382-L386 PolarHBondContact O-N 2.81Å
383P96Very high92.3Very high72 Ų7250.2 Ų50.247%0.46828%0.282SS..Hα-helixtrans-58.5-43.8177.1-25.835.1000113.8L386 S387P383-L386 PolarHBondContact O-N 3.27Å; P383-S387 WeakPolarHBondContact O-CB 3.42Å; P383-S387 PolarHBondContact O-N 3.22Å
384C96.5Very high91.8Very high17 Ų1750.7 Ų50.712%0.11529%0.287CS..Hα-helixtrans-67.1-37.6177.6-74.50000111.8I363 C364 L380 C381 T382 W388I363-C384 HydrophobicContact CB-CB 4.17Å; I363-C384 HydrophobicContact CD1-CB 4.14Å; I363-C384 HydrophobicContact CG2-CB 4.16Å; C364-C384 VanDerWaalsContact SG-SG 3.67Å; L380-C384 HydrophobicContact CD1-CB 4.32Å; C381-C384 PolarHBondContact O-N 3.33Å; C381-C384 VanDerWaalsContact O-N 3.14Å; C381-C384 VanDerWaalsContact SG-CB 3.57Å; C381-C384 PolarHBondContact SG-SG 3.22Å; T382-C384 PolarHBondContact O-N 3.39Å; C384-W388 VanDerWaalsContact O-CB 3.3Å; C384-W388 WeakPolarHBondContact O-CB 3.49Å; C384-W388 PolarHBondContact O-N 3.21Å
385L94.3Very high91.6Very high1 Ų152.5 Ų52.51%0.00531%0.308CS..Hα-helixtrans-63.4-48.2175.8179.365.2000111.2I371 I373 L380 C381 T382 S387 W388 Q389 I404 T407I371-L385 HydrophobicContact CD1-CD2 3.79Å; I371-L385 HydrophobicContact CG2-CB 4.4Å; I371-L385 HydrophobicContact CG2-CD2 4.18Å; I373-L385 HydrophobicContact CD1-CD1 4.18Å; I373-L385 HydrophobicContact CG1-CD1 4.42Å; L380-L385 HydrophobicContact CD1-CB 3.82Å; L380-L385 HydrophobicContact CD1-CD1 4.27Å; L380-L385 HydrophobicContact CG-CB 4.14Å; C381-L385 PolarHBondContact O-N 2.97Å; T382-L385 PolarHBondContact O-N 3.5Å; L385-S387 PolarHBondContact O-N 3.06Å; L385-W388 WeakPolarHBondContact O-CB 3.05Å; L385-W388 PolarHBondContact O-N 3.48Å; L385-Q389 HydrophobicContact CD1-CG 4.13Å; L385-Q389 HydrophobicContact CG-CG 4.29Å; L385-Q389 WeakPolarHBondContact O-CB 3.38Å; L385-Q389 VanDerWaalsContact O-CG 3.31Å; L385-Q389 WeakPolarHBondContact O-CG 3.42Å; L385-Q389 PolarHBondContact O-N 3.07Å; L385-I404 HydrophobicContact CD1-CD1 3.91Å; L385-T407 HydrophobicContact CD2-CG2 3.68Å
386L93.3Very high91.7Very high81 Ų8152.9 Ų52.942%0.42431%0.31SS..Hα-helixtrans-61.3-46.8-179.1-67.9176.8000111.3T382 P383 W388 Q389 E390T382-L386 HydrophobicContact CG2-CD1 3.97Å; T382-L386 HydrophobicContact CG2-CG 4.22Å; T382-L386 WeakPolarHBondContact O-CG 3.4Å; T382-L386 PolarHBondContact O-N 2.81Å; P383-L386 PolarHBondContact O-N 3.27Å; L386-W388 VanDerWaalsContact C-N 3.28Å; L386-W388 PolarHBondContact O-N 3.43Å; L386-Q389 PolarHBondContact O-N 3.12Å; L386-Q389 VanDerWaalsContact O-N 3.1Å; L386-E390 PolarHBondContact O-N 3.49Å; L386-E390 VanDerWaalsContact O-N 3.17Å
387S93.8Very high91.8Very high80 Ų8051.8 Ų51.856%0.55930%0.303SS*.Hα-helixtrans-59.1-39.4175.2179.30000112.2P383 L385 E390P383-S387 WeakPolarHBondContact O-CB 3.42Å; P383-S387 PolarHBondContact O-N 3.22Å; L385-S387 PolarHBondContact O-N 3.06Å; S387-E390 PolarHBondContact O-N 3.13Å
388W93.2Very high91.9Very high59 Ų5951.5 Ų51.522%0.22329%0.294CS..Hα-helixtrans-66-40.4174.7-177.1-99.6000112.5C384 L385 L386 E390 S391 S393 G394 T396 P398C384-W388 VanDerWaalsContact O-CB 3.3Å; C384-W388 WeakPolarHBondContact O-CB 3.49Å; C384-W388 PolarHBondContact O-N 3.21Å; L385-W388 WeakPolarHBondContact O-CB 3.05Å; L385-W388 PolarHBondContact O-N 3.48Å; L386-W388 VanDerWaalsContact C-N 3.28Å; L386-W388 PolarHBondContact O-N 3.43Å; W388-E390 PolarHBondContact O-N 3.42Å; W388-S391 WeakPolarHBondContact O-CB 3.33Å; W388-S391 PolarHBondContact O-N 3.07Å; W388-S391 PolarHBondContact O-OG 3.11Å; W388-S393 PolarHBondContact NE1-O 2.91Å; W388-G394 VanDerWaalsContact O-CA 3.22Å; W388-G394 WeakPolarHBondContact O-CA 3.03Å; W388-T396 PolarHBondContact NE1-O 2.84Å; W388-P398 HydrophobicContact CD2-CB 3.88Å; W388-P398 HydrophobicContact CE3-CB 4.2Å; W388-P398 HydrophobicContact CG-CB 4.3Å; W388-P398 HydrophobicContact CG-CG 4.47Å; W388-P398 HydrophobicContact CH2-CB 4.41Å; W388-P398 HydrophobicContact CZ2-CB 4.11Å; W388-P398 HydrophobicContact CZ3-CB 4.46Å
389Q90.3Very high91.9Very high49 Ų4952.8 Ų52.823%0.22930%0.299CS..Hα-helixtrans-65.6-21.7179.5-74-174.3-42.400113.6N301 L385 L386 S391 G394N301-Q389 PolarHBondContact ND2-OE1 3.22Å; L385-Q389 HydrophobicContact CD1-CG 4.13Å; L385-Q389 HydrophobicContact CG-CG 4.29Å; L385-Q389 WeakPolarHBondContact O-CB 3.38Å; L385-Q389 VanDerWaalsContact O-CG 3.31Å; L385-Q389 WeakPolarHBondContact O-CG 3.42Å; L385-Q389 PolarHBondContact O-N 3.07Å; L386-Q389 PolarHBondContact O-N 3.12Å; L386-Q389 VanDerWaalsContact O-N 3.1Å; Q389-S391 VanDerWaalsContact C-N 3.35Å; Q389-G394 WeakPolarHBondContact CG-O 3.14Å
390E88.9Confident91.8Very high168 Ų16853.4 Ų53.479%0.78531%0.305SS*.THydrogen-bonded Turntrans-79.6-15.8173.4-69.6176.1175.200113.4L386 S387 W388L386-E390 PolarHBondContact O-N 3.49Å; L386-E390 VanDerWaalsContact O-N 3.17Å; S387-E390 PolarHBondContact O-N 3.13Å; W388-E390 PolarHBondContact O-N 3.42Å
391S88.2Confident91.7Very high50 Ų5062.7 Ų62.735%0.3534%0.34SS..SBendtrans-77.7167177.179.30000112.8W388 Q389 S393 G394W388-S391 WeakPolarHBondContact O-CB 3.33Å; W388-S391 PolarHBondContact O-N 3.07Å; W388-S391 PolarHBondContact O-OG 3.11Å; Q389-S391 VanDerWaalsContact C-N 3.35Å; S391-S393 PolarHBondContact O-N 3.36Å; S391-S393 VanDerWaalsContact O-N 3.11Å; S391-S393 PolarHBondContact OG-N 3.45Å; S391-G394 PolarHBondContact O-N 3.23Å
392E82.4Confident91.5Very high209 Ų20965.2 Ų65.298%0.97736%0.358SS*.THydrogen-bonded Turntrans-56.6-28.1174.8-64.8-177.2172.400113.2
393S82.8Confident91.3Very high60 Ų6069.2 Ų69.242%0.4237%0.373SS..THydrogen-bonded Turntrans-94.412.5178.7-63.10000113.6W388 S391 G395 T396W388-S393 PolarHBondContact NE1-O 2.91Å; S391-S393 PolarHBondContact O-N 3.36Å; S391-S393 VanDerWaalsContact O-N 3.11Å; S391-S393 PolarHBondContact OG-N 3.45Å; S393-G395 PolarHBondContact O-N 2.84Å; S393-T396 PolarHBondContact O-N 2.82Å; S393-T396 PolarHBondContact O-OG1 2.97Å
394G83.8Confident91.1Very high11 Ų1166.8 Ų66.811%0.11336%0.356CS..THydrogen-bonded Turntrans-61.8-10.9-170.300000116.7W388 Q389 S391 T396W388-G394 VanDerWaalsContact O-CA 3.22Å; W388-G394 WeakPolarHBondContact O-CA 3.03Å; Q389-G394 WeakPolarHBondContact CG-O 3.14Å; S391-G394 PolarHBondContact O-N 3.23Å; G394-T396 VanDerWaalsContact C-N 3.34Å
395G87Confident90.8Very high47 Ų4768.2 Ų68.249%0.48536%0.36SS..THydrogen-bonded Turntrans-82.9-3.5172.400000115.1S393 I404S393-G395 PolarHBondContact O-N 2.84Å; G395-I404 PolarHBondContact O-N 3.44Å
396T93.5Very high90.5Very high41 Ų4168.8 Ų68.825%0.25237%0.367SS..BIsolated β-bridgetrans-125.1154.4-17164.80000112.8W388 S393 G394 R401 C402 I404W388-T396 PolarHBondContact NE1-O 2.84Å; S393-T396 PolarHBondContact O-N 2.82Å; S393-T396 PolarHBondContact O-OG1 2.97Å; G394-T396 VanDerWaalsContact C-N 3.34Å; T396-R401 WeakPolarHBondContact CB-O 3.49Å; T396-R401 WeakPolarHBondContact CG2-O 3.41Å; T396-C402 CarbonylContact C-O 3.56Å; T396-C402 WeakPolarHBondContact CA-O 3.43Å; T396-I404 WeakPolarHBondContact O-CD1 3.42Å
397C94.8Very high90.4Very high0 Ų065.6 Ų65.60%035%0.351CS..  trans-66.9129.4176.5175.80000110.6I373 C376 F399 C400 R401 C402 I404I373-C397 HydrophobicContact CD1-CB 4.22Å; I373-C397 HydrophobicContact CG2-CB 4.4Å; C376-C397 VanDerWaalsContact SG-SG 3.66Å; C397-F399 PolarHBondContact O-N 3Å; C397-F399 VanDerWaalsContact O-N 3.14Å; C397-F399 PolarHBondContact SG-N 3.13Å; C397-C400 VanDerWaalsContact SG-SG 3.61Å; C397-R401 WeakPolarHBondContact O-CA 3.43Å; C397-R401 PolarHBondContact O-N 3.48Å; C397-C402 PolarHBondContact N-O 2.9Å; C397-I404 HydrophobicContact CB-CG1 4.5Å
398P94.3Very high90.2Very high31 Ų3163.9 Ų63.920%0.20133%0.334CS..THydrogen-bonded Turntrans-62.1-23.9179.822.7-31.8000113.3I363 L380 W388I363-P398 HydrophobicContact CD1-CB 4.14Å; I363-P398 HydrophobicContact CD1-CG 3.87Å; L380-P398 HydrophobicContact CD1-CG 4.08Å; W388-P398 HydrophobicContact CD2-CB 3.88Å; W388-P398 HydrophobicContact CE3-CB 4.2Å; W388-P398 HydrophobicContact CG-CB 4.3Å; W388-P398 HydrophobicContact CG-CG 4.47Å; W388-P398 HydrophobicContact CH2-CB 4.41Å; W388-P398 HydrophobicContact CZ2-CB 4.11Å; W388-P398 HydrophobicContact CZ3-CB 4.46Å
399F94.6Very high90Very high64 Ų6464.5 Ų64.528%0.28135%0.347SS..THydrogen-bonded Turntrans-89.6-44.5-177.5-53.7-74000113.4K362 I363 H378 L380 C397K362-F399 HydrophobicContact CB-CE1 4.26Å; I363-F399 HydrophobicContact CD1-CE1 4.49Å; I363-F399 HydrophobicContact CD1-CE2 4.49Å; I363-F399 HydrophobicContact CD1-CZ 3.94Å; I363-F399 HydrophobicContact CG1-CE1 4.21Å; I363-F399 HydrophobicContact CG1-CZ 3.99Å; H378-F399 HydrophobicContact CB-CD2 3.58Å; H378-F399 HydrophobicContact CB-CE2 4.21Å; H378-F399 HydrophobicContact CB-CG 4.36Å; H378-F399 AromaticContact CD2-CD2 4Å; H378-F399 AromaticContact CD2-CG 3.92Å; H378-F399 AromaticContact CG-CD2 3.86Å; L380-F399 HydrophobicContact CB-CE2 4.05Å; L380-F399 HydrophobicContact CB-CZ 4.2Å; L380-F399 HydrophobicContact CD1-CE2 4.47Å; L380-F399 HydrophobicContact CD2-CE2 4.48Å; C397-F399 PolarHBondContact O-N 3Å; C397-F399 VanDerWaalsContact O-N 3.14Å; C397-F399 PolarHBondContact SG-N 3.13Å
400C94.4Very high89.9Confident39 Ų3962.5 Ų62.526%0.26434%0.338SS..THydrogen-bonded Turntrans-120.30.3-172.471.10000114.6C376 H378 C397 C402C376-C400 VanDerWaalsContact CB-SG 3.53Å; H378-C400 VanDerWaalsContact CE1-CB 3.45Å; H378-C400 WeakPolarHBondContact CE1-CB 3.32Å; H378-C400 VanDerWaalsContact CE1-SG 3.54Å; H378-C400 PolarHBondContact ND1-SG 3.29Å; C397-C400 VanDerWaalsContact SG-SG 3.61Å; C400-C402 PolarHBondContact O-N 2.64Å; C400-C402 PolarHBondContact SG-SG 2.98Å
401R92.9Very high89.9Confident195 Ų19557.3 Ų57.374%0.73632%0.317SS*.  trans57.46.5-179.1-55.2-176.3179.2-172.6-0.9115.8T396 C397T396-R401 WeakPolarHBondContact CB-O 3.49Å; T396-R401 WeakPolarHBondContact CG2-O 3.41Å; C397-R401 WeakPolarHBondContact O-CA 3.43Å; C397-R401 PolarHBondContact O-N 3.48Å
402C91.2Very high89.7Confident54 Ų5455.8 Ų55.837%0.36531%0.305SS..  trans-63146.4171.1-61.60000110.2C376 T396 C397 C400 I404C376-C402 HydrophobicContact CB-CB 4.41Å; T396-C402 CarbonylContact C-O 3.56Å; T396-C402 WeakPolarHBondContact CA-O 3.43Å; C397-C402 PolarHBondContact N-O 2.9Å; C400-C402 PolarHBondContact O-N 2.64Å; C400-C402 PolarHBondContact SG-SG 2.98Å; C402-I404 PolarHBondContact O-N 3.16Å
403E91.1Very high89.8Confident125 Ų12548.3 Ų48.358%0.58427%0.272SS*.BIsolated β-bridgetrans-54.7131.3173.9-174.9-174.6-16400111.3K405E403-K405 HydrophobicContact CG-CG 4.21Å; E403-K405 PolarHBondContact O-N 3.45Å; E403-K405 WeakPolarHBondContact OE2-CE 3.5Å
404I91.8Very high89.6Confident22 Ų2250.8 Ų50.811%0.11328%0.279CS..  trans-82.2108.9172.2-59.1-177.6000107.8I373 L385 G395 T396 C397 C402 T407I373-I404 HydrophobicContact CD1-CD1 4.06Å; I373-I404 HydrophobicContact CG2-CB 4.35Å; I373-I404 HydrophobicContact CG2-CD1 4.28Å; I373-I404 HydrophobicContact CG2-CG1 3.77Å; I373-I404 HydrophobicContact CG2-CG2 4.14Å; L385-I404 HydrophobicContact CD1-CD1 3.91Å; G395-I404 PolarHBondContact O-N 3.44Å; T396-I404 WeakPolarHBondContact O-CD1 3.42Å; C397-I404 HydrophobicContact CB-CG1 4.5Å; C402-I404 PolarHBondContact O-N 3.16Å; I404-T407 HydrophobicContact CG2-CG2 4.35Å
405K90.2Very high89.3Confident46 Ų4653.4 Ų53.420%0.229%0.288CS..  trans-98.3-18.3177.7-64.5-174.7176.7-179.80112.9T162 D222 E374 E403T162-K405 HydrophobicContact CG2-CB 3.86Å; D222-K405 IonicContact OD2-NZ 2.83Å; E374-K405 PolarHBondContact O-N 3.09Å; E403-K405 HydrophobicContact CG-CG 4.21Å; E403-K405 PolarHBondContact O-N 3.45Å; E403-K405 WeakPolarHBondContact OE2-CE 3.5Å
406G88.8Confident88.7Confident14 Ų1456.4 Ų56.414%0.14429%0.289CS..EExtended strand (participates in β ladder)trans-170.5172.1-178.500000111.6E374E374-G406 PolarHBondContact N-O 3.1Å; E374-G406 PolarHBondContact O-N 3.36Å
407T90.3Very high87.3Confident14 Ų1457.5 Ų57.59%0.08630%0.297CS..EExtended strand (participates in β ladder)trans-142155.5174.651.40000109.5N301 I371 K372 L385 I404N301-T407 WeakPolarHBondContact CA-OG1 3.4Å; N301-T407 VanDerWaalsContact CB-OG1 3.31Å; N301-T407 WeakPolarHBondContact CB-OG1 3.22Å; N301-T407 WeakPolarHBondContact OD1-CG2 3.05Å; N301-T407 PolarHBondContact OD1-OG1 3.21Å; I371-T407 HydrophobicContact CD1-CG2 4.05Å; I371-T407 HydrophobicContact CG1-CG2 4.4Å; K372-T407 CarbonylContact O-C 3.51Å; K372-T407 VanDerWaalsContact O-CA 3.25Å; K372-T407 WeakPolarHBondContact O-CA 3.3Å; L385-T407 HydrophobicContact CD2-CG2 3.68Å; I404-T407 HydrophobicContact CG2-CG2 4.35Å
408E89.3Confident85.7Confident44 Ų4468.2 Ų68.221%0.20634%0.337CS..EExtended strand (participates in β ladder)trans-135.7127.5177.7-175.8-171.4138.500108.3G339 I371 K372G339-E408 VanDerWaalsContact CA-OE1 3.31Å; G339-E408 WeakPolarHBondContact CA-OE1 3.42Å; I371-E408 WeakPolarHBondContact CG1-O 3.47Å; K372-E408 HydrophobicContact CB-CB 4.49Å; K372-E408 WeakPolarHBondContact CE-OE2 3.47Å; K372-E408 PolarHBondContact N-O 3.42Å; K372-E408 IonicContact NZ-OE1 3.81Å; K372-E408 PolarHBondContact NZ-OE1 3.34Å; K372-E408 IonicContact NZ-OE2 3.44Å; K372-E408 PolarHBondContact NZ-OE2 2.88Å; K372-E408 PolarHBondContact O-N 2.48Å
409S88.9Confident83.5Confident71 Ų7174 Ų7450%0.49736%0.359SS..EExtended strand (participates in β ladder)trans-67.6132.6170.9-61.10000109.6G339 D370G339-S409 PolarHBondContact N-O 3.43Å; D370-S409 WeakPolarHBondContact O-CA 3.23Å
410I89.4Confident81Confident8 Ų875.4 Ų75.44%0.04138%0.377CS..EExtended strand (participates in β ladder)trans-129.8155.6-175.459.8132.7000111.4G339 V341 D370 K372 L379 I412G339-I410 WeakPolarHBondContact O-CA 3.42Å; G339-I410 WeakPolarHBondContact O-CB 3.32Å; G339-I410 WeakPolarHBondContact O-CG2 3.25Å; V341-I410 HydrophobicContact CG2-CB 4.36Å; V341-I410 HydrophobicContact CG2-CD1 3.89Å; V341-I410 HydrophobicContact CG2-CG2 4.4Å; D370-I410 PolarHBondContact O-N 3.28Å; K372-I410 HydrophobicContact CB-CG1 4.49Å; K372-I410 HydrophobicContact CB-CG2 3.68Å; K372-I410 HydrophobicContact CD-CG2 4.45Å; L379-I410 HydrophobicContact CD1-CD1 4.07Å; L379-I410 HydrophobicContact CD2-CD1 3.71Å; L379-I410 HydrophobicContact CD2-CG1 4.41Å; L379-I410 HydrophobicContact CG-CD1 4.35Å; I410-I412 HydrophobicContact CD1-CD1 4.23Å; I410-I412 HydrophobicContact CD1-CG1 3.8Å
411V87Confident78.6Confident58 Ų5881.9 Ų81.935%0.35240%0.403SS..EExtended strand (participates in β ladder)trans-119.7132.7167.31780000107.5E338 G339 H340 V341E338-V411 HydrophobicContact CB-CG2 4.14Å; E338-V411 HydrophobicContact CG-CG2 4.29Å; E338-V411 WeakPolarHBondContact OE2-CG2 3.48Å; G339-V411 PolarHBondContact O-N 3.15Å; H340-V411 WeakPolarHBondContact CA-O 3.2Å; V341-V411 PolarHBondContact N-O 2.96Å
412I85.8Confident76Confident18 Ų1877.1 Ų77.19%0.09240%0.4CS..EExtended strand (participates in β ladder)trans-92114.6178.3-62.4177.7000108.3V341 V343 F358 Q359 K369 I410 I414V341-I412 HydrophobicContact CB-CG1 4.39Å; V341-I412 WeakPolarHBondContact O-CA 3.02Å; V343-I412 HydrophobicContact CG2-CG2 3.47Å; V343-I412 VanDerWaalsContact CG2-CG2 3.47Å; F358-I412 HydrophobicContact CD1-CD1 4.04Å; F358-I412 HydrophobicContact CD1-CG2 3.74Å; F358-I412 HydrophobicContact CE1-CD1 4.05Å; F358-I412 HydrophobicContact CE1-CG2 4.13Å; Q359-I412 HydrophobicContact CG-CB 4.27Å; Q359-I412 HydrophobicContact CG-CG2 3.94Å; K369-I412 HydrophobicContact CB-CD1 3.76Å; K369-I412 WeakPolarHBondContact O-CD1 3.35Å; I410-I412 HydrophobicContact CD1-CD1 4.23Å; I410-I412 HydrophobicContact CD1-CG1 3.8Å; I412-I414 PolarHBondContact O-N 3.45Å
413D83.6Confident73.3Confident52 Ų5283.8 Ų83.828%0.27843%0.425SS..EExtended strand (participates in β ladder)trans-73.9113.8173.9-64.6-25.5000108.6H340 V341 K342 V343 F415H340-D413 IonicContact CE1-OD1 3.23Å; H340-D413 IonicContact CG-OD1 2.95Å; H340-D413 IonicContact CG-OD2 2.74Å; H340-D413 IonicContact ND1-OD1 2.78Å; H340-D413 PolarHBondContact ND1-OD1 3.46Å; H340-D413 IonicContact ND1-OD2 3.03Å; H340-D413 PolarHBondContact ND1-OD2 3.35Å; V341-D413 PolarHBondContact O-N 3.08Å; K342-D413 HydrophobicContact CG-CB 4.35Å; V343-D413 WeakPolarHBondContact CG2-O 3.47Å; V343-D413 PolarHBondContact N-O 3.02Å; D413-F415 PolarHBondContact O-N 2.65Å
414I78.5Confident70.7Confident112 Ų11282.2 Ų82.257%0.57443%0.434SS*.  trans-63.4129.1177.9-48.2-174.3000108.9I412 E416I412-I414 PolarHBondContact O-N 3.45Å; I414-E416 PolarHBondContact O-N 3.19Å
415F77.1Confident67.8Low67 Ų6786.7 Ų86.729%0.29447%0.467SS..  trans-71.5110.7164.6-177.7-104.7000108.8V343 P345 Y348 D413 P417V343-F415 HydrophobicContact CB-CB 4.27Å; P345-F415 HydrophobicContact CB-CE1 3.97Å; P345-F415 HydrophobicContact CB-CE2 4.12Å; P345-F415 HydrophobicContact CB-CZ 3.7Å; P345-F415 HydrophobicContact CG-CD2 4.27Å; P345-F415 HydrophobicContact CG-CE1 4.37Å; P345-F415 HydrophobicContact CG-CE2 3.61Å; P345-F415 HydrophobicContact CG-CZ 3.66Å; Y348-F415 AromaticContact CD1-CD1 3.9Å; Y348-F415 HydrophobicContact CD1-CD1 3.9Å; Y348-F415 HydrophobicContact CD1-CE1 4.42Å; Y348-F415 HydrophobicContact CD2-CB 4.26Å; Y348-F415 HydrophobicContact CD2-CD1 4.29Å; Y348-F415 HydrophobicContact CG-CB 4.32Å; Y348-F415 AromaticContact CG-CD1 3.72Å; Y348-F415 HydrophobicContact CG-CD1 3.72Å; Y348-F415 HydrophobicContact CG-CG 4.47Å; D413-F415 PolarHBondContact O-N 2.65Å; F415-P417 HydrophobicContact CD1-CG 4.25Å; F415-P417 HydrophobicContact CE1-CB 4.35Å; F415-P417 HydrophobicContact CE1-CG 4.23Å; F415-P417 WeakPolarHBondContact O-CD 3.27Å
416E74.3Confident65.1Low110 Ų11089.7 Ų89.751%0.51449%0.494SS..  trans-91.8110.8174.1-72.7-175.4176.400109.9I414 R418 K419I414-E416 PolarHBondContact O-N 3.19Å; E416-R418 PolarHBondContact O-N 2.96Å; E416-K419 IonicContact OE1-NZ 3.45Å; E416-K419 PolarHBondContact OE1-NZ 3.36Å; E416-K419 WeakPolarHBondContact OE2-CD 3.27Å; E416-K419 VanDerWaalsContact OE2-CE 3.3Å; E416-K419 WeakPolarHBondContact OE2-CE 3.49Å; E416-K419 IonicContact OE2-NZ 2.73Å; E416-K419 PolarHBondContact OE2-NZ 3.43Å
417P65.4Low62.5Low64 Ų6497.4 Ų97.442%0.41653%0.531SS..THydrogen-bonded Turntrans-67.8-6.2-176.5-2032.2000115.2Y348 F415Y348-P417 HydrophobicContact CD1-CG 4.18Å; Y348-P417 HydrophobicContact CE1-CG 3.44Å; Y348-P417 VanDerWaalsContact CE1-CG 3.44Å; F415-P417 HydrophobicContact CD1-CG 4.25Å; F415-P417 HydrophobicContact CE1-CB 4.35Å; F415-P417 HydrophobicContact CE1-CG 4.23Å; F415-P417 WeakPolarHBondContact O-CD 3.27Å
418R61Low59.7Low225 Ų225104.3 Ų104.385%0.84957%0.567SS**THydrogen-bonded Turntrans-129.420-161.2-68.1-169.6179.11731117.8E416E416-R418 PolarHBondContact O-N 2.96Å
419K46.9Very low57.4Low152 Ų152107.5 Ų107.566%0.66159%0.592SS**SBendtrans-99.88.8168.2-78.7-172.7-174.8131.90115.4E416E416-K419 IonicContact OE1-NZ 3.45Å; E416-K419 PolarHBondContact OE1-NZ 3.36Å; E416-K419 WeakPolarHBondContact OE2-CD 3.27Å; E416-K419 VanDerWaalsContact OE2-CE 3.3Å; E416-K419 WeakPolarHBondContact OE2-CE 3.49Å; E416-K419 IonicContact OE2-NZ 2.73Å; E416-K419 PolarHBondContact OE2-NZ 3.43Å
420S43.8Very low54.7Low94 Ų94111.1 Ų111.166%0.65761%0.611SS**SBendtrans-93.42.7171.754.10000114.9
421H42.5Very low51.6Low175 Ų175116 Ų11681%0.8164%0.641SS**SBendtrans-136.157.2177.9-73.2-67.9000113.3
422S38.3Very low48.8Very low94 Ų94121.2 Ų121.266%0.65766%0.662SS**SBendtrans-13424.3167.449.40000114.2
423E35.6Very low46Very low194 Ų194126 Ų12691%0.90769%0.687SS**SBendtrans-136.970.4164.8-72.1-170.6169.400110.2
424A35.2Very low43.4Very low93 Ų93129.7 Ų129.777%0.76971%0.706SS**  trans177.746.8152.400000110.8S426A424-S426 VanDerWaalsContact C-N 3.27Å; A424-S426 PolarHBondContact O-N 3.34Å
425S31.4Very low40.9Very low116 Ų116131.3 Ų131.381%0.81172%0.715SS**  trans-94.164.7164.5-58.10000108.9
426S33.4Very low38.6Very low108 Ų108135.4 Ų135.476%0.75574%0.739SS**  trans-163.882.9167.2-76.60000108.1A424A424-S426 VanDerWaalsContact C-N 3.27Å; A424-S426 PolarHBondContact O-N 3.34Å
427L35.8Very low36.2Very low177 Ų177138.4 Ų138.493%0.92776%0.756SS**  trans-170.3116.3138-95.1155.6000108.5
428N30.5Very low34.4Very low159 Ų159139.1 Ų139.185%0.8578%0.775SS**  trans-70168.9-179.9-85.7-31.9000112.5
429P40.4Very low32.5Very low111 Ų111134.6 Ų134.672%0.72177%0.772SS**  trans-93.8149.7-155.835.9-31.6000113.2
430V32.7Very low31.4Very low147 Ų147132.1 Ų132.189%0.89177%0.773SS**  trans-119.1108.4158.6179.60000107.6
431T24.4Very low30.5Very low110 Ų110134.7 Ų134.768%0.67578%0.78SS**  trans-62.8167.916336.90000112.1
432Q28.4Very low29.8Very low168 Ų168131.3 Ų131.379%0.78578%0.776SS**  trans88.7132.2160.6-118.5151.6-11.200114.3
433D26.7Very low29.2Very low117 Ų117135.8 Ų135.863%0.62678%0.783SS**  cis-174.7151.2-5-122.1-13.1000106
434L29.9Very low28.5Very low130 Ų130132.1 Ų132.168%0.68178%0.779SS**  trans70.9115143.8-55164.4000122.5
435I26.1Very low27.9Very low147 Ų147131 Ų13175%0.75478%0.777SS**  52.3116.7122.6-48.7168.6000118.4
436D28.1Very low27.7Very low152 Ų152135 Ų13581%0.81378%0.782SS**  -170.3146.4105.1-1532.2000112.9
437M23.2Very low27.1Very low173 Ų173133.4 Ų133.485%0.85278%0.784SS**  trans-76144.4173.1-81.4-141.3-61.600111.7
438G27.1Very low26.8Very low80 Ų80134.2 Ų134.283%0.82578%0.783SS**  trans-159119169.400000111.6
439T23Very low26.4Very low129 Ų129135.1 Ų135.179%0.79178%0.782SS**  trans-85.8166.6-164.9-230000114.1
440C23.3Very low25.8Very low101 Ų101139 Ų13968%0.68279%0.787SS**  trans75.1121.1141.972.90000122.3
441D23.9Very low25.5Very low148 Ų148137.5 Ų137.579%0.79178%0.778SS**  63.2111.7127.5-66.5-27.9000120.2
442S28.2Very low25.5Very low104 Ų104140.3 Ų140.373%0.72778%0.784SS**  160.7127.298.9-76.90000113.3
443K25Very low25.3Very low188 Ų188137.8 Ų137.882%0.81778%0.78SS**  trans58108.5131.1-67.9-174.3177.9177.40120.6
444S22Very low25.3Very low116 Ų116137.4 Ų137.481%0.81178%0.783SS**  49.6116.4118.868.80000119.3
445G23.4Very low25.2Very low70 Ų70140.5 Ų140.572%0.72279%0.787SS**  trans177.199.4158.800000114.8
446Q25.6Very low25.3Very low199 Ų199139.2 Ų139.293%0.9379%0.786SS**  trans78.9126.1145.2-62.3-179.6-3.200118.6
447G21.8Very low25.3Very low76 Ų76138.9 Ų138.978%0.78479%0.785SS**  trans-79155.1-177.500000112.7
448E28.6Very low25.6Very low194 Ų194138.2 Ų138.291%0.90778%0.779SS**  trans-133.6131.1152.9-82.3-172.9159.800108.4K450E448-K450 PolarHBondContact O-N 3.42Å
449E23.4Very low25.8Very low178 Ų178141 Ų14183%0.83277%0.774SS**  trans-62.4116.5179.8-171.7176.2-172.200110.1V451E449-V451 HydrophobicContact CG-CG2 4.32Å
450K27.9Very low26.3Very low191 Ų191140.7 Ų140.783%0.8377%0.773SS**  trans-120.598161-82.8-170177.4-176.10109.1E448 E452E448-K450 PolarHBondContact O-N 3.42Å; K450-E452 PolarHBondContact O-N 2.92Å
451V25.4Very low26.9Very low117 Ų117139.5 Ų139.571%0.70976%0.762SS**  trans-67.2106162177.20000107.4E449E449-V451 HydrophobicContact CG-CG2 4.32Å
452E25.3Very low27.3Very low169 Ų169135.7 Ų135.779%0.7975%0.745SS**  trans-128.1102.4163-88-175.9169.700109.4K450K450-E452 PolarHBondContact O-N 2.92Å
453V23.6Very low27.4Very low115 Ų115135.5 Ų135.570%0.69774%0.741SS**  trans-102.2127.2154.1-165.10000104.8Y455V453-Y455 HydrophobicContact CG1-CD2 4.43Å
454P27.4Very low27.7Very low109 Ų109132.7 Ų132.771%0.70874%0.743SS**  -136.5134.3118.730-14.9000113.2T456P454-T456 PolarHBondContact O-N 2.91Å
455Y26.4Very low28.3Very low195 Ų195133.4 Ų133.477%0.76574%0.736SS**  trans-23.4121.1149.7-78.8-99.2000113.8V453V453-Y455 HydrophobicContact CG1-CD2 4.43Å
456T28.2Very low28.7Very low119 Ų119139.2 Ų139.273%0.7375%0.745SS**  trans-117104.6144.7-41.20000106.5P454 Q458P454-T456 PolarHBondContact O-N 2.91Å; T456-Q458 PolarHBondContact O-N 3.21Å
457N28.8Very low28.9Very low145 Ų145138.8 Ų138.878%0.77574%0.743SS**  trans-6583.3169.2-88.7-21.5000108L459N457-L459 PolarHBondContact O-N 3.03Å
458Q29Very low29.5Very low159 Ų159138.2 Ų138.274%0.74373%0.731SS**  trans-65.4121.7166.7-67.5-175.63.800107.2T456 V460T456-Q458 PolarHBondContact O-N 3.21Å; Q458-V460 VanDerWaalsContact C-N 3.3Å; Q458-V460 PolarHBondContact O-N 2.84Å
459L32.7Very low29.6Very low138 Ų138135.1 Ų135.172%0.72373%0.727SS**  trans-59.5100.7164-73.6166.7000106.5N457 V461N457-L459 PolarHBondContact O-N 3.03Å; L459-V461 VanDerWaalsContact C-N 3.3Å; L459-V461 PolarHBondContact O-N 3.13Å
460V33Very low30.1Very low124 Ų124133.2 Ų133.275%0.75272%0.722SS**  trans-62.696.8173.4-179.80000106.6Q458 P462Q458-V460 VanDerWaalsContact C-N 3.3Å; Q458-V460 PolarHBondContact O-N 2.84Å; V460-P462 WeakPolarHBondContact O-CD 3.29Å
461V36.3Very low30.2Very low76 Ų76128.2 Ų128.246%0.46171%0.709SS.*PPolyproline II helixtrans-61.3120161175.60000105L459L459-V461 VanDerWaalsContact C-N 3.3Å; L459-V461 PolarHBondContact O-N 3.13Å
462P32.3Very low30.6Very low67 Ų67128.7 Ų128.744%0.43572%0.715SS.*PPolyproline II helixtrans-57.3140.2-179.220.4-29.1000109.2V460V460-P462 WeakPolarHBondContact O-CD 3.29Å
463P29.7Very low30.9Very low100 Ų100126 Ų12665%0.64971%0.714SS**PPolyproline II helixtrans-56.6151.8178.722.7-31.8000110.1L465P463-L465 PolarHBondContact O-N 3.1Å
464P30.3Very low31.5Very low130 Ų130125.2 Ų125.284%0.84472%0.721SS**  trans-53.8112.7179.8-22.131.8000109.7E466P464-E466 PolarHBondContact O-N 3.17Å
465L34.6Very low31.6Very low130 Ų130131.4 Ų131.468%0.68173%0.73SS**  trans-66130.3169-73.1170.9000107.5P463 Q467P463-L465 PolarHBondContact O-N 3.1Å; L465-Q467 PolarHBondContact O-N 3.04Å; L465-Q467 VanDerWaalsContact O-N 3.14Å
466E33.2Very low31.8Very low193 Ų193127.3 Ų127.390%0.90273%0.728SS**  trans-46.8119.5170.1-156.6162-164.900108.3P464 A468P464-E466 PolarHBondContact O-N 3.17Å; E466-A468 PolarHBondContact O-N 3.13Å
467Q28.9Very low32.1Very low189 Ų189127.4 Ų127.488%0.88373%0.731SS**  trans-56.3104.4-165.5-73.2177-12.600110.6L465L465-Q467 PolarHBondContact O-N 3.04Å; L465-Q467 VanDerWaalsContact O-N 3.14Å
468A34.6Very low32.2Very low65 Ų65127.4 Ų127.454%0.53773%0.73SS.*PPolyproline II helixtrans-63.8139.4163.600000108.1E466 L470E466-A468 PolarHBondContact O-N 3.13Å; A468-L470 PolarHBondContact O-N 3.1Å
469P30.9Very low32.2Very low128 Ų128127.4 Ų127.483%0.83174%0.735SS**PPolyproline II helixtrans-57.8127-173.3-20.830000111
470L32.9Very low32.1Very low138 Ų138128.9 Ų128.972%0.72374%0.742SS**PPolyproline II helixtrans-65.4137169.5-69.3169.4000108.8A468A468-L470 PolarHBondContact O-N 3.1Å
471P31.6Very low31.9Very low86 Ų86127.8 Ų127.856%0.55875%0.747SS**PPolyproline II helixtrans-60.1145.7166.825.2-30.6000109.5S473P471-S473 PolarHBondContact O-N 3.19Å
472P32.5Very low31.5Very low127 Ų127127.1 Ų127.183%0.82576%0.755SS**PPolyproline II helixtrans-58.1128.9-171.620.5-30.9000111A474P472-A474 PolarHBondContact O-N 2.94Å; P472-A474 VanDerWaalsContact O-N 3.07Å
473S33Very low31.4Very low112 Ų112129.3 Ų129.378%0.78377%0.772SS**  trans-53.4115.6173.8-63.40000109.7P471 R475P471-S473 PolarHBondContact O-N 3.19Å; S473-R475 VanDerWaalsContact C-N 3.34Å; S473-R475 PolarHBondContact O-N 3.2Å
474A35.2Very low31.5Very low100 Ų100129.8 Ų129.883%0.82678%0.777SS**  trans-61.2101.716300000106.9P472 C476P472-A474 PolarHBondContact O-N 2.94Å; P472-A474 VanDerWaalsContact O-N 3.07Å; A474-C476 PolarHBondContact O-N 2.98Å
475R29.9Very low31.1Very low238 Ų238133.5 Ų133.590%0.89878%0.781SS**  trans-58.9124.1170.8-75.3-174.5176.9-168.3-1.4107.6S473 P477S473-R475 VanDerWaalsContact C-N 3.34Å; S473-R475 PolarHBondContact O-N 3.2Å; R475-P477 WeakPolarHBondContact O-CD 3.37Å
476C30.2Very low30.9Very low109 Ų109132.7 Ų132.774%0.73678%0.783SS**  trans-58.8123.4174.3-141.70000108.7A474 L478A474-C476 PolarHBondContact O-N 2.98Å; C476-L478 PolarHBondContact O-N 3.44Å
477P34.4Very low30.6Very low121 Ų121129.4 Ų129.479%0.78678%0.776SS**SBendtrans-8174.6177.131.9-32000109.7R475R475-P477 WeakPolarHBondContact O-CD 3.37Å
478L32.2Very low30.4Very low145 Ų145124.8 Ų124.876%0.75977%0.77SS**  trans-141.266.7165.8-76.4175.3000108.6C476C476-L478 PolarHBondContact O-N 3.44Å
479D27.4Very low30Very low159 Ų159128.3 Ų128.385%0.8578%0.779SS**  trans-159.372.9160.9-92.8-30.1000109.2
480I32.2Very low29.8Very low169 Ų169130.1 Ų130.187%0.86778%0.777SS**  trans-127.372.6153.2-54.7-179.5000106.4
481A27.9Very low29.4Very low102 Ų102128.2 Ų128.284%0.84378%0.781SS**  trans-80.1117154.100000107.4
482G27.7Very low29.2Very low62 Ų62129.2 Ų129.264%0.63979%0.79SS**  trans124.884.1166.100000114.4
483S31Very low29.3Very low112 Ų112130.2 Ų130.278%0.78379%0.794SS**  157.4124.9110.154.80000111.4
484S30.3Very low29Very low110 Ų110129.7 Ų129.777%0.76979%0.79SS**  trans68.997.2145.7-44.20000118.5
485F23.1Very low28.8Very low209 Ų209129.8 Ų129.892%0.91779%0.785SS**  trans-47.8140.8146-79.4-94.5000110.7
486P29Very low29.2Very low113 Ų113133.9 Ų133.973%0.73480%0.8SS**  -136.9131.811232-17.8000114.3
487V27.5Very low29.2Very low123 Ų123135.1 Ų135.175%0.74580%0.803SS**  trans55.9113.7130.8-172.60000119L489V487-L489 HydrophobicContact CG1-CD1 4.15Å
488A24Very low28.9Very low92 Ų92135.8 Ų135.876%0.7680%0.804SS**  trans-62137158.800000112.8
489L27.3Very low28.7Very low140 Ų140135.3 Ų135.373%0.73381%0.807SS**  trans178.9136.9154.3-89.7134.3000103.7V487V487-L489 HydrophobicContact CG1-CD1 4.15Å
490E25.7Very low28.8Very low166 Ų166133.9 Ų133.978%0.77680%0.804SS**  cis-167.8140.69.9-140.5167-160.800105.5
491A24.8Very low28.6Very low98 Ų98131.8 Ų131.881%0.8180%0.8SS**  trans-88.2110.8167.900000108.2
492S27.7Very low28.6Very low106 Ų106133.7 Ų133.774%0.74180%0.797SS**  trans162.6117.814157.20000111
493T34.4Very low28.7Very low148 Ų148138.9 Ų138.991%0.90881%0.808SS**  trans-138.4112.6142.6490000109.9
494S26.4Very low28.5Very low102 Ų102140.9 Ų140.971%0.71381%0.81SS**  trans-52.6157159.7152.20000113.7
495S30.9Very low28.4Very low101 Ų101143.5 Ų143.571%0.70681%0.814SS**  trans66.8108.4149.660.20000119.6
496R40Very low28.9Very low324 Ų324137.5 Ų137.5100%1.22381%0.805SS**  -144.40102.1-100.7-177.4-176.3-170.41.3110.8

Retrieved 496 of 496 residues in 348.9 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).