A0A060VPY5_ONCMY Loading...

Tubulin folding cofactor B

AlphaFold DB , UniProt , Accession A0A060VPY5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 246 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.5Very low60.9Low242 Ų242120.3 Ų120.3100%1.19273%0.73SS**  0820-78.5174.9170.900106G3M1-G3 PolarHBondContact O-N 3.31Å; M1-G3 VanDerWaalsContact O-N 3.16Å
2D46Very low63.6Low171 Ų171113.3 Ų113.391%0.91469%0.688SS**  trans-79.796.5177.1-69.3-53.2000107.8G4D2-G4 VanDerWaalsContact C-N 3.27Å; D2-G4 PolarHBondContact O-N 3.4Å
3G49.9Very low66Low71 Ų71104.6 Ų104.673%0.73264%0.635SS**  trans-67.189171.200000108.9M1 V5M1-G3 PolarHBondContact O-N 3.31Å; M1-G3 VanDerWaalsContact O-N 3.16Å; G3-V5 PolarHBondContact O-N 3.03Å; G3-V5 VanDerWaalsContact O-N 3.08Å
4G56.9Low68.1Low64 Ų6498.6 Ų98.666%0.6660%0.6SS**  trans-59.1110.617400000110.1D2 T6D2-G4 VanDerWaalsContact C-N 3.27Å; D2-G4 PolarHBondContact O-N 3.4Å; G4-T6 PolarHBondContact O-N 3.26Å
5V59.7Low69.9Low131 Ų13192 Ų9279%0.79456%0.56SS**  trans-64.7108173.1179.20000107.5G3 V7G3-V5 PolarHBondContact O-N 3.03Å; G3-V5 VanDerWaalsContact O-N 3.08Å; V5-V7 HydrophobicContact CG1-CG2 4Å; V5-V7 PolarHBondContact O-N 2.64Å
6T56.1Low71.6Confident118 Ų11889.2 Ų89.272%0.72454%0.536SS*.  trans-89.4100.2174.1-52.30000107.6G4 I8G4-T6 PolarHBondContact O-N 3.26Å; T6-I8 HydrophobicContact CG2-CG1 4.2Å; T6-I8 PolarHBondContact O-N 3.49Å
7V58.2Low73Confident111 Ų11184.1 Ų84.167%0.67351%0.506SS*.  trans-78.4100.4174.5-172.20000107.9V5 T9V5-V7 HydrophobicContact CG1-CG2 4Å; V5-V7 PolarHBondContact O-N 2.64Å; V7-T9 HydrophobicContact CG1-CG2 3.76Å; V7-T9 PolarHBondContact O-N 3.14Å; V7-T9 VanDerWaalsContact O-N 3.1Å
8I63.3Low74.1Confident158 Ų15880.6 Ų80.681%0.8149%0.485SS*.  trans-80.287.7174.1-56.5169.8000107.4T6T6-I8 HydrophobicContact CG2-CG1 4.2Å; T6-I8 PolarHBondContact O-N 3.49Å
9T67.2Low75Confident80 Ų8076.8 Ų76.849%0.49146%0.462SS..  trans-80.2149.3168.854.80000109.9V7V7-T9 HydrophobicContact CG1-CG2 3.76Å; V7-T9 PolarHBondContact O-N 3.14Å; V7-T9 VanDerWaalsContact O-N 3.1Å
10N81.4Confident75.7Confident92 Ų9275.6 Ų75.649%0.49246%0.455SS..  trans-57.2130.4175.5-170.7-16.2000108.9T12 R32N10-T12 PolarHBondContact O-N 3.17Å; N10-T12 PolarHBondContact OD1-N 3.49Å; N10-T12 PolarHBondContact OD1-OG1 2.92Å; N10-R32 WeakPolarHBondContact O-CD 3.48Å
11P89.1Confident76.1Confident85 Ų8574 Ų7455%0.55244%0.444SS*.SBendtrans-62-13.7-17924.5-37.1000113.5N31 R32P11-N31 CarbonylContact O-C 3.58Å; P11-N31 WeakPolarHBondContact O-CA 3.23Å; P11-N31 PolarHBondContact O-OD1 2.84Å; P11-R32 PolarHBondContact O-N 2.79Å
12T93.9Very high77.9Confident36 Ų3664.8 Ų64.822%0.22140%0.403CS..EExtended strand (participates in β ladder)trans-121.5153.4176.160.50000112.1N10 R29 Y30N10-T12 PolarHBondContact O-N 3.17Å; N10-T12 PolarHBondContact OD1-N 3.49Å; N10-T12 PolarHBondContact OD1-OG1 2.92Å; T12-R29 HydrophobicContact CG2-CG 4.44Å; T12-Y30 CarbonylContact C-O 3.46Å; T12-Y30 WeakPolarHBondContact CA-O 3.28Å; T12-Y30 WeakPolarHBondContact CB-O 3.26Å
13V94.4Very high79.6Confident1 Ų162 Ų621%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-132.5136.517464.40000110V15 R29 Y30 R32 L76 V81 D82 D83V13-V15 HydrophobicContact CG1-CG1 4.18Å; V13-V15 HydrophobicContact CG2-CG1 4.09Å; V13-R29 CarbonylContact O-C 3.51Å; V13-R29 WeakPolarHBondContact O-CA 3.38Å; V13-Y30 PolarHBondContact N-O 3.33Å; V13-Y30 PolarHBondContact O-N 3.06Å; V13-R32 HydrophobicContact CB-CG 4.26Å; V13-R32 HydrophobicContact CG1-CG 4.15Å; V13-L76 HydrophobicContact CG1-CD2 4.15Å; V13-V81 HydrophobicContact CG1-CG1 4.2Å; V13-V81 HydrophobicContact CG2-CG1 4.05Å; V13-D82 VanDerWaalsContact CG2-C 3.41Å; V13-D82 WeakPolarHBondContact CG2-O 3.5Å; V13-D83 WeakPolarHBondContact CA-OD1 3.46Å
14S95.9Very high81.2Confident20 Ų2066.1 Ų66.114%0.1440%0.395CS..EExtended strand (participates in β ladder)trans-93.7120.7171.8-77.40000109.6D83 D84S14-D83 PolarHBondContact N-OD1 2.99Å; S14-D83 CarbonylContact O-C 3.55Å; S14-D83 WeakPolarHBondContact O-CA 3.35Å; S14-D84 PolarHBondContact O-N 2.77Å
15V95.6Very high82.8Confident0 Ų068.2 Ų68.20%039%0.388CS..EExtended strand (participates in β ladder)trans-121.8147.5-177-64.80000111.2V13 L17 N27 K28 Y30 V81 C85 I87V13-V15 HydrophobicContact CG1-CG1 4.18Å; V13-V15 HydrophobicContact CG2-CG1 4.09Å; V15-L17 HydrophobicContact CG2-CD2 3.76Å; V15-L17 HydrophobicContact CG2-CG 4.31Å; V15-N27 WeakPolarHBondContact O-CA 3.28Å; V15-K28 PolarHBondContact N-O 3.13Å; V15-K28 PolarHBondContact O-N 2.77Å; V15-Y30 HydrophobicContact CG2-CD2 3.71Å; V15-Y30 HydrophobicContact CG2-CE2 3.84Å; V15-V81 HydrophobicContact CG1-CG1 3.43Å; V15-V81 VanDerWaalsContact CG1-CG1 3.43Å; V15-C85 WeakPolarHBondContact CA-O 3.37Å; V15-I87 HydrophobicContact CB-CD1 4.1Å; V15-I87 HydrophobicContact CB-CG1 4.35Å; V15-I87 HydrophobicContact CG1-CD1 3.94Å; V15-I87 HydrophobicContact CG1-CG1 4.43Å; V15-I87 HydrophobicContact CG2-CD1 4.09Å
16R96.1Very high84.4Confident47 Ų4764.9 Ų64.918%0.17737%0.368CS..EExtended strand (participates in β ladder)trans-87.5118.8172-56-169.2-51-127.61.7108.8E25 T61 D63 D84 C85 K86 I87R16-E25 HydrophobicContact CB-CG 4.23Å; R16-E25 VanDerWaalsContact CD-OE1 3.24Å; R16-E25 WeakPolarHBondContact CD-OE1 3.38Å; R16-E25 IonicContact NE-OE1 2.75Å; R16-T61 PolarHBondContact NH2-O 2.88Å; R16-D63 IonicContact NH2-OD1 3.71Å; R16-D84 VanDerWaalsContact CZ-O 3.3Å; R16-D84 PolarHBondContact NH1-O 2.82Å; R16-C85 PolarHBondContact N-O 3.03Å; R16-K86 HydrophobicContact CB-CB 4.36Å; R16-K86 CarbonylContact O-C 3.49Å; R16-K86 VanDerWaalsContact O-CA 3.27Å; R16-K86 WeakPolarHBondContact O-CA 3.23Å; R16-I87 PolarHBondContact O-N 3.35Å
17L95.3Very high86.3Confident3 Ų363.4 Ų63.42%0.01636%0.355CS..EExtended strand (participates in β ladder)trans-99.4128-178.3-57.9175.9000109.3V15 E25 V26 K28 Y30 F39 L43 V46 I87V15-L17 HydrophobicContact CG2-CD2 3.76Å; V15-L17 HydrophobicContact CG2-CG 4.31Å; L17-E25 WeakPolarHBondContact O-CA 3.38Å; L17-V26 WeakPolarHBondContact CB-O 3.41Å; L17-V26 PolarHBondContact N-O 3.06Å; L17-V26 PolarHBondContact O-N 3.16Å; L17-K28 HydrophobicContact CD1-CB 4.19Å; L17-Y30 HydrophobicContact CD1-CE2 4.05Å; L17-Y30 WeakPolarHBondContact CD1-OH 3.22Å; L17-F39 HydrophobicContact CD2-CZ 4.46Å; L17-L43 HydrophobicContact CD1-CD2 3.45Å; L17-L43 VanDerWaalsContact CD1-CD2 3.45Å; L17-L43 HydrophobicContact CD2-CD2 3.52Å; L17-L43 HydrophobicContact CG-CD2 4.09Å; L17-V46 HydrophobicContact CD1-CG1 4Å; L17-I87 WeakPolarHBondContact CA-O 3.11Å; L17-I87 HydrophobicContact CD2-CB 4Å; L17-I87 HydrophobicContact CD2-CG2 4.42Å
18T94Very high88Confident21 Ų2162.4 Ų62.413%0.12934%0.342CS..EExtended strand (participates in β ladder)trans-128.4157.8172.453.90000108.9E25 K86 I87 H88 V89T18-E25 HydrophobicContact CG2-CB 4.2Å; T18-E25 HydrophobicContact CG2-CG 3.9Å; T18-K86 HydrophobicContact CG2-CD 3.92Å; T18-K86 HydrophobicContact CG2-CG 4.24Å; T18-I87 PolarHBondContact N-O 3.1Å; T18-H88 WeakPolarHBondContact OG1-CA 3.47Å; T18-H88 PolarHBondContact OG1-ND1 2.89Å; T18-V89 WeakPolarHBondContact O-CB 3.14Å; T18-V89 PolarHBondContact O-N 2.78Å
19S90.5Very high89.6Confident9 Ų962.9 Ų62.96%0.06333%0.334CS..EExtended strand (participates in β ladder)trans-136.6156-179.7-179.60000111.1I21 V89S19-I21 VanDerWaalsContact C-N 3.26Å; S19-I21 PolarHBondContact O-N 3.21Å; S19-I21 VanDerWaalsContact OG-CG1 3.25Å; S19-I21 WeakPolarHBondContact OG-CG1 3.25Å; S19-I21 PolarHBondContact OG-N 2.75Å; S19-V89 CarbonylContact C-O 3.58Å; S19-V89 VanDerWaalsContact CA-O 3.26Å; S19-V89 WeakPolarHBondContact CA-O 3.41Å
20T88.6Confident90.9Very high52 Ų5259.6 Ų59.632%0.31931%0.312SS..SBendtrans-68.1-26.1171.949.10000112.9H88 V89 I90 D91 S97T20-H88 WeakPolarHBondContact CG2-NE2 3.43Å; T20-V89 PolarHBondContact N-O 3.3Å; T20-I90 HydrophobicContact CG2-CB 4.16Å; T20-I90 HydrophobicContact CG2-CG1 3.93Å; T20-I90 HydrophobicContact CG2-CG2 4.19Å; T20-D91 PolarHBondContact OG1-N 3.48Å; T20-S97 WeakPolarHBondContact O-CB 3.41Å; T20-S97 PolarHBondContact O-OG 2.66Å
21I83.6Confident91.6Very high42 Ų4259 Ų5922%0.21531%0.309CS..SBendtrans-95.4-13.1-174.957.8164.7000114.3S19 D91 A95S19-I21 VanDerWaalsContact C-N 3.26Å; S19-I21 PolarHBondContact O-N 3.21Å; S19-I21 VanDerWaalsContact OG-CG1 3.25Å; S19-I21 WeakPolarHBondContact OG-CG1 3.25Å; S19-I21 PolarHBondContact OG-N 2.75Å; I21-D91 HydrophobicContact CG2-CB 4.09Å; I21-A95 HydrophobicContact CG2-CB 4.29Å
22S80.6Confident91.8Very high48 Ų4856.4 Ų56.434%0.33629%0.288SS..  trans-130.8135.9-175.9177.70000110.7F24S22-F24 VanDerWaalsContact C-N 3.28Å; S22-F24 PolarHBondContact OG-N 3.21Å
23S81.4Confident91.8Very high114 Ų11456.9 Ų56.980%0.79730%0.301SS*.  trans-80.9-6.9174.956.20000113.6
24F83.1Confident91.8Very high156 Ų15657.4 Ų57.468%0.68430%0.303SS*.  trans-84.7138.5-178.5-63.8-80.3000111.6S22S22-F24 VanDerWaalsContact C-N 3.28Å; S22-F24 PolarHBondContact OG-N 3.21Å
25E91.4Very high91.9Very high108 Ų10858.2 Ų58.251%0.50531%0.308SS..  trans-101.7136.4170.7-174178.2110.400110R16 L17 T18R16-E25 HydrophobicContact CB-CG 4.23Å; R16-E25 VanDerWaalsContact CD-OE1 3.24Å; R16-E25 WeakPolarHBondContact CD-OE1 3.38Å; R16-E25 IonicContact NE-OE1 2.75Å; L17-E25 WeakPolarHBondContact O-CA 3.38Å; T18-E25 HydrophobicContact CG2-CB 4.2Å; T18-E25 HydrophobicContact CG2-CG 3.9Å
26V93.2Very high91.9Very high62 Ų6258.2 Ų58.238%0.37631%0.308SS..EExtended strand (participates in β ladder)trans-126.6126.5179.2-178.70000109.8L17 V46L17-V26 WeakPolarHBondContact CB-O 3.41Å; L17-V26 PolarHBondContact N-O 3.06Å; L17-V26 PolarHBondContact O-N 3.16Å; V26-V46 HydrophobicContact CG1-CG1 4.42Å
27N94.9Very high91.9Very high86 Ų8658.2 Ų58.246%0.4632%0.318SS..EExtended strand (participates in β ladder)trans-89.2125.2170.7-167-61.4000109.7V15 D84V15-N27 WeakPolarHBondContact O-CA 3.28Å; N27-D84 PolarHBondContact ND2-OD1 3.17Å
28K94.9Very high91.9Very high91 Ų9163.2 Ų63.240%0.39634%0.341SS..EExtended strand (participates in β ladder)trans-145.1145-179.2-165.4160.3179.8177.70112V15 L17 Y30 V46V15-K28 PolarHBondContact N-O 3.13Å; V15-K28 PolarHBondContact O-N 2.77Å; L17-K28 HydrophobicContact CD1-CB 4.19Å; K28-Y30 HydrophobicContact CB-CE2 3.72Å; K28-Y30 HydrophobicContact CD-CE2 4.45Å; K28-Y30 WeakPolarHBondContact CD-OH 3.43Å; K28-Y30 HydrophobicContact CG-CE2 3.87Å; K28-Y30 WeakPolarHBondContact O-CD2 3.46Å; K28-V46 HydrophobicContact CD-CG2 3.98Å; K28-V46 VanDerWaalsContact NZ-CG2 3.31Å
29R96.1Very high92.1Very high168 Ų16862.2 Ų62.263%0.63434%0.335SS*.EExtended strand (participates in β ladder)trans-94.7134.3-178.1-172.5179.4-67.8179.40.8111.7T12 V13T12-R29 HydrophobicContact CG2-CG 4.44Å; V13-R29 CarbonylContact O-C 3.51Å; V13-R29 WeakPolarHBondContact O-CA 3.38Å
30Y95.8Very high92.3Very high11 Ų1162.7 Ų62.74%0.04334%0.336CS..EExtended strand (participates in β ladder)trans-130.7154.2179-64.3-89.1000111.5T12 V13 V15 L17 K28 I34 F39 K42T12-Y30 CarbonylContact C-O 3.46Å; T12-Y30 WeakPolarHBondContact CA-O 3.28Å; T12-Y30 WeakPolarHBondContact CB-O 3.26Å; V13-Y30 PolarHBondContact N-O 3.33Å; V13-Y30 PolarHBondContact O-N 3.06Å; V15-Y30 HydrophobicContact CG2-CD2 3.71Å; V15-Y30 HydrophobicContact CG2-CE2 3.84Å; L17-Y30 HydrophobicContact CD1-CE2 4.05Å; L17-Y30 WeakPolarHBondContact CD1-OH 3.22Å; K28-Y30 HydrophobicContact CB-CE2 3.72Å; K28-Y30 HydrophobicContact CD-CE2 4.45Å; K28-Y30 WeakPolarHBondContact CD-OH 3.43Å; K28-Y30 HydrophobicContact CG-CE2 3.87Å; K28-Y30 WeakPolarHBondContact O-CD2 3.46Å; Y30-I34 HydrophobicContact CD1-CD1 4.37Å; Y30-F39 AromaticContact CD1-CD2 3.73Å; Y30-F39 HydrophobicContact CD1-CD2 3.73Å; Y30-F39 AromaticContact CD1-CE2 3.62Å; Y30-F39 HydrophobicContact CD1-CE2 3.62Å; Y30-F39 AromaticContact CD2-CE2 3.65Å; Y30-F39 HydrophobicContact CD2-CE2 3.65Å; Y30-F39 HydrophobicContact CD2-CZ 4.49Å; Y30-F39 HydrophobicContact CE1-CD2 4.02Å; Y30-F39 AromaticContact CE1-CE2 3.75Å; Y30-F39 HydrophobicContact CE1-CE2 3.75Å; Y30-F39 AromaticContact CE2-CE2 3.79Å; Y30-F39 HydrophobicContact CE2-CE2 3.79Å; Y30-F39 AromaticContact CG-CD2 4Å; Y30-F39 HydrophobicContact CG-CD2 4Å; Y30-F39 AromaticContact CG-CE2 3.56Å; Y30-F39 HydrophobicContact CG-CE2 3.56Å; Y30-F39 AromaticContact CZ-CE2 3.83Å; Y30-K42 HydrophobicContact CD1-CD 4.2Å; Y30-K42 HydrophobicContact CE1-CB 3.92Å; Y30-K42 HydrophobicContact CE1-CD 4.29Å
31N94.9Very high92.6Very high79 Ų7961.8 Ų61.842%0.42234%0.337SS..EExtended strand (participates in β ladder)trans-79.4134.6172.6-175.5-31.9000109.1P11 G33 I34P11-N31 CarbonylContact O-C 3.58Å; P11-N31 WeakPolarHBondContact O-CA 3.23Å; P11-N31 PolarHBondContact O-OD1 2.84Å; N31-G33 VanDerWaalsContact C-N 3.26Å; N31-G33 PolarHBondContact O-N 2.84Å; N31-G33 PolarHBondContact OD1-N 2.95Å; N31-I34 HydrophobicContact CB-CG2 4.17Å; N31-I34 WeakPolarHBondContact O-CD1 3.09Å; N31-I34 VanDerWaalsContact O-CG1 3.26Å; N31-I34 WeakPolarHBondContact O-CG1 3.25Å
32R93.2Very high93.1Very high30 Ų3064.4 Ų64.411%0.11335%0.346CS..THydrogen-bonded Turntrans-71-20.6179.8-62.1-175.382.193.94.2113.2N10 P11 V13 I34 L76 G77 V81N10-R32 WeakPolarHBondContact O-CD 3.48Å; P11-R32 PolarHBondContact O-N 2.79Å; V13-R32 HydrophobicContact CB-CG 4.26Å; V13-R32 HydrophobicContact CG1-CG 4.15Å; R32-I34 VanDerWaalsContact C-N 3.32Å; R32-I34 PolarHBondContact O-N 2.68Å; R32-L76 PolarHBondContact O-N 2.83Å; R32-G77 WeakPolarHBondContact O-CA 3.4Å; R32-G77 PolarHBondContact O-N 3.22Å; R32-V81 PolarHBondContact NH1-O 3.11Å; R32-V81 PolarHBondContact NH2-O 2.96Å
33G93.6Very high93.7Very high47 Ų4762.1 Ų62.149%0.48533%0.331SS..THydrogen-bonded Turntrans-856.4-179.700000115.3N31 L75N31-G33 VanDerWaalsContact C-N 3.26Å; N31-G33 PolarHBondContact O-N 2.84Å; N31-G33 PolarHBondContact OD1-N 2.95Å; G33-L75 WeakPolarHBondContact O-CD2 3.47Å
34I95.5Very high94.2Very high12 Ų1260.6 Ų60.66%0.06231%0.311CS..SBendtrans-85.5150.7172.270.3-170000110.1Y30 N31 R32 E38 F39 K42 L75 L76Y30-I34 HydrophobicContact CD1-CD1 4.37Å; N31-I34 HydrophobicContact CB-CG2 4.17Å; N31-I34 WeakPolarHBondContact O-CD1 3.09Å; N31-I34 VanDerWaalsContact O-CG1 3.26Å; N31-I34 WeakPolarHBondContact O-CG1 3.25Å; R32-I34 VanDerWaalsContact C-N 3.32Å; R32-I34 PolarHBondContact O-N 2.68Å; I34-E38 WeakPolarHBondContact CA-OE2 3.3Å; I34-E38 HydrophobicContact CB-CB 4.21Å; I34-E38 WeakPolarHBondContact CB-OE2 3.4Å; I34-F39 HydrophobicContact CD1-CB 3.87Å; I34-F39 HydrophobicContact CD1-CD2 3.88Å; I34-F39 HydrophobicContact CD1-CG 4.29Å; I34-F39 HydrophobicContact CG1-CB 4.17Å; I34-K42 HydrophobicContact CD1-CD 4.34Å; I34-L75 CarbonylContact O-C 3.59Å; I34-L75 WeakPolarHBondContact O-CA 3.43Å; I34-L76 HydrophobicContact CD1-CD2 4.44Å; I34-L76 HydrophobicContact CG1-CB 4.22Å; I34-L76 PolarHBondContact O-N 3.49Å
35T97.4Very high94.4Very high37 Ų3761.1 Ų61.123%0.22732%0.317CS..BIsolated β-bridgetrans-73.4160.4173.165.70000111.1A37 E38 F39 N72 A74 L75T35-A37 PolarHBondContact O-N 3.08Å; T35-E38 PolarHBondContact N-OE2 2.94Å; T35-E38 PolarHBondContact O-N 3.04Å; T35-E38 WeakPolarHBondContact OG1-CG 3.26Å; T35-E38 PolarHBondContact OG1-N 2.68Å; T35-F39 WeakPolarHBondContact O-CB 3.43Å; T35-F39 PolarHBondContact O-N 3.31Å; T35-N72 WeakPolarHBondContact CB-O 3.48Å; T35-A74 CarbonylContact C-O 3.4Å; T35-A74 VanDerWaalsContact CA-O 3.29Å; T35-A74 WeakPolarHBondContact CA-O 3.41Å; T35-L75 HydrophobicContact CG2-CD2 4.27Å
36I96.5Very high94.3Very high0 Ų058 Ų580%031%0.306CS..Hα-helixtrans-60.9-32.8172.8-64.2-55.7000111.3F39 K40 L56 L69 D71 A74 L76 Y79I36-F39 PolarHBondContact O-N 2.77Å; I36-K40 HydrophobicContact CG2-CD 4.36Å; I36-K40 HydrophobicContact CG2-CG 4.4Å; I36-K40 WeakPolarHBondContact O-CG 3.23Å; I36-K40 PolarHBondContact O-N 2.87Å; I36-L56 HydrophobicContact CG2-CD1 4.29Å; I36-L69 HydrophobicContact CD1-CB 4.04Å; I36-L69 HydrophobicContact CD1-CD1 4.25Å; I36-L69 HydrophobicContact CG1-CB 4.41Å; I36-L69 HydrophobicContact CG2-CB 4.35Å; I36-D71 VanDerWaalsContact CB-O 3.23Å; I36-D71 WeakPolarHBondContact CB-O 3.45Å; I36-D71 VanDerWaalsContact CG1-O 3.3Å; I36-D71 WeakPolarHBondContact CG1-O 3.42Å; I36-A74 PolarHBondContact N-O 2.85Å; I36-L76 HydrophobicContact CD1-CB 4.4Å; I36-L76 HydrophobicContact CD1-CD1 3.97Å; I36-Y79 HydrophobicContact CD1-CD2 4.03Å; I36-Y79 HydrophobicContact CD1-CE2 3.76Å; I36-Y79 HydrophobicContact CG1-CD2 4.35Å; I36-Y79 HydrophobicContact CG1-CE2 3.59Å
37A96.1Very high94.1Very high47 Ų4756.1 Ų56.139%0.38829%0.294SS..Hα-helixtrans-60-49.9173.100000112.4T35 F39 K40 G41 N72T35-A37 PolarHBondContact O-N 3.08Å; A37-F39 VanDerWaalsContact C-N 3.29Å; A37-F39 PolarHBondContact O-N 2.72Å; A37-K40 PolarHBondContact O-N 2.79Å; A37-G41 PolarHBondContact O-N 2.93Å; A37-G41 VanDerWaalsContact O-N 3.15Å; A37-N72 HydrophobicContact CB-CB 4.16Å; A37-N72 WeakPolarHBondContact CB-O 3.26Å; A37-N72 PolarHBondContact N-O 3.15Å
38E95.7Very high93.7Very high107 Ų10754.9 Ų54.950%0.530%0.302SS..Hα-helixtrans-64.1-36.9176.4-70.3178.7144.800111.7I34 T35 G41 K42I34-E38 WeakPolarHBondContact CA-OE2 3.3Å; I34-E38 HydrophobicContact CB-CB 4.21Å; I34-E38 WeakPolarHBondContact CB-OE2 3.4Å; T35-E38 PolarHBondContact N-OE2 2.94Å; T35-E38 PolarHBondContact O-N 3.04Å; T35-E38 WeakPolarHBondContact OG1-CG 3.26Å; T35-E38 PolarHBondContact OG1-N 2.68Å; E38-G41 PolarHBondContact O-N 2.86Å; E38-K42 WeakPolarHBondContact O-CG 3.5Å; E38-K42 PolarHBondContact O-N 3.36Å; E38-K42 VanDerWaalsContact O-N 3.08Å
39F96.2Very high93.4Very high0 Ų050.6 Ų50.60%028%0.283CS..Hα-helixtrans-63.1-46.7176.7-177.5-124.2000111.6L17 Y30 I34 T35 I36 A37 G41 K42 L43 L56 L76 I87L17-F39 HydrophobicContact CD2-CZ 4.46Å; Y30-F39 AromaticContact CD1-CD2 3.73Å; Y30-F39 HydrophobicContact CD1-CD2 3.73Å; Y30-F39 AromaticContact CD1-CE2 3.62Å; Y30-F39 HydrophobicContact CD1-CE2 3.62Å; Y30-F39 AromaticContact CD2-CE2 3.65Å; Y30-F39 HydrophobicContact CD2-CE2 3.65Å; Y30-F39 HydrophobicContact CD2-CZ 4.49Å; Y30-F39 HydrophobicContact CE1-CD2 4.02Å; Y30-F39 AromaticContact CE1-CE2 3.75Å; Y30-F39 HydrophobicContact CE1-CE2 3.75Å; Y30-F39 AromaticContact CE2-CE2 3.79Å; Y30-F39 HydrophobicContact CE2-CE2 3.79Å; Y30-F39 AromaticContact CG-CD2 4Å; Y30-F39 HydrophobicContact CG-CD2 4Å; Y30-F39 AromaticContact CG-CE2 3.56Å; Y30-F39 HydrophobicContact CG-CE2 3.56Å; Y30-F39 AromaticContact CZ-CE2 3.83Å; I34-F39 HydrophobicContact CD1-CB 3.87Å; I34-F39 HydrophobicContact CD1-CD2 3.88Å; I34-F39 HydrophobicContact CD1-CG 4.29Å; I34-F39 HydrophobicContact CG1-CB 4.17Å; T35-F39 WeakPolarHBondContact O-CB 3.43Å; T35-F39 PolarHBondContact O-N 3.31Å; I36-F39 PolarHBondContact O-N 2.77Å; A37-F39 VanDerWaalsContact C-N 3.29Å; A37-F39 PolarHBondContact O-N 2.72Å; F39-G41 VanDerWaalsContact C-N 3.34Å; F39-G41 PolarHBondContact O-N 2.87Å; F39-K42 PolarHBondContact O-N 2.78Å; F39-K42 VanDerWaalsContact O-N 3.09Å; F39-L43 HydrophobicContact CD1-CD1 3.95Å; F39-L43 HydrophobicContact CD2-CG 4.41Å; F39-L43 HydrophobicContact CE1-CD1 3.54Å; F39-L43 HydrophobicContact CE1-CG 4.21Å; F39-L43 HydrophobicContact CE2-CD1 4.3Å; F39-L43 HydrophobicContact CE2-CD2 4.05Å; F39-L43 HydrophobicContact CE2-CG 4.08Å; F39-L43 HydrophobicContact CG-CD1 4.5Å; F39-L43 HydrophobicContact CZ-CD1 3.72Å; F39-L43 HydrophobicContact CZ-CD2 3.92Å; F39-L43 HydrophobicContact CZ-CG 3.97Å; F39-L43 WeakPolarHBondContact O-CG 3.39Å; F39-L43 PolarHBondContact O-N 2.94Å; F39-L56 HydrophobicContact CD1-CD1 3.74Å; F39-L56 HydrophobicContact CE1-CD1 3.89Å; F39-L76 HydrophobicContact CD1-CD1 4.13Å; F39-L76 HydrophobicContact CD2-CD2 4.14Å; F39-L76 HydrophobicContact CE1-CD1 4.16Å; F39-L76 HydrophobicContact CE2-CD2 4.23Å; F39-L76 HydrophobicContact CG-CD1 4.49Å; F39-L76 HydrophobicContact CG-CD2 4.42Å; F39-I87 HydrophobicContact CE1-CD1 3.66Å; F39-I87 HydrophobicContact CE1-CG2 4.24Å; F39-I87 HydrophobicContact CZ-CD1 3.57Å
40K95.3Very high93.2Very high20 Ų2045 Ų459%0.08727%0.269CS..Hα-helixtrans-56.9-44.4174.1-73.7177.2176.2173.50112I36 A37 K42 L43 E44 A51 M54 L56 N72I36-K40 HydrophobicContact CG2-CD 4.36Å; I36-K40 HydrophobicContact CG2-CG 4.4Å; I36-K40 WeakPolarHBondContact O-CG 3.23Å; I36-K40 PolarHBondContact O-N 2.87Å; A37-K40 PolarHBondContact O-N 2.79Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 3.36Å; K40-L43 WeakPolarHBondContact O-CB 3.31Å; K40-L43 PolarHBondContact O-N 2.88Å; K40-L43 VanDerWaalsContact O-N 3.07Å; K40-E44 PolarHBondContact O-N 3.31Å; K40-A51 HydrophobicContact CB-CB 3.83Å; K40-M54 HydrophobicContact CB-SD 3.87Å; K40-M54 HydrophobicContact CD-CB 4.47Å; K40-M54 WeakPolarHBondContact CE-O 3.2Å; K40-M54 HydrophobicContact CG-CG 4.39Å; K40-M54 HydrophobicContact CG-SD 3.75Å; K40-M54 PolarHBondContact NZ-O 2.84Å; K40-L56 HydrophobicContact CG-CD1 3.78Å; K40-L56 HydrophobicContact CG-CG 4.31Å; K40-N72 PolarHBondContact NZ-OD1 2.93Å
41G94.6Very high93Very high33 Ų3346 Ų4634%0.3428%0.279SS..Hα-helixtrans-61.1-34.8175.500000113.6A37 E38 F39A37-G41 PolarHBondContact O-N 2.93Å; A37-G41 VanDerWaalsContact O-N 3.15Å; E38-G41 PolarHBondContact O-N 2.86Å; F39-G41 VanDerWaalsContact C-N 3.34Å; F39-G41 PolarHBondContact O-N 2.87Å
42K93.9Very high92.8Very high97 Ų9748 Ų4842%0.42230%0.299SS..Hα-helixtrans-74-30.3173.3-67.9179.7-175.8178.70113.1Y30 I34 E38 F39 K40Y30-K42 HydrophobicContact CD1-CD 4.2Å; Y30-K42 HydrophobicContact CE1-CB 3.92Å; Y30-K42 HydrophobicContact CE1-CD 4.29Å; I34-K42 HydrophobicContact CD1-CD 4.34Å; E38-K42 WeakPolarHBondContact O-CG 3.5Å; E38-K42 PolarHBondContact O-N 3.36Å; E38-K42 VanDerWaalsContact O-N 3.08Å; F39-K42 PolarHBondContact O-N 2.78Å; F39-K42 VanDerWaalsContact O-N 3.09Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 3.36Å
43L93.4Very high92.7Very high0 Ų047.5 Ų47.50%030%0.3CS..Hα-helixtrans-72.4-32.2176-70.4178.8000111.9L17 F39 K40 M45 V46 V47 M54 L56 V89L17-L43 HydrophobicContact CD1-CD2 3.45Å; L17-L43 VanDerWaalsContact CD1-CD2 3.45Å; L17-L43 HydrophobicContact CD2-CD2 3.52Å; L17-L43 HydrophobicContact CG-CD2 4.09Å; F39-L43 HydrophobicContact CD1-CD1 3.95Å; F39-L43 HydrophobicContact CD2-CG 4.41Å; F39-L43 HydrophobicContact CE1-CD1 3.54Å; F39-L43 HydrophobicContact CE1-CG 4.21Å; F39-L43 HydrophobicContact CE2-CD1 4.3Å; F39-L43 HydrophobicContact CE2-CD2 4.05Å; F39-L43 HydrophobicContact CE2-CG 4.08Å; F39-L43 HydrophobicContact CG-CD1 4.5Å; F39-L43 HydrophobicContact CZ-CD1 3.72Å; F39-L43 HydrophobicContact CZ-CD2 3.92Å; F39-L43 HydrophobicContact CZ-CG 3.97Å; F39-L43 WeakPolarHBondContact O-CG 3.39Å; F39-L43 PolarHBondContact O-N 2.94Å; K40-L43 WeakPolarHBondContact O-CB 3.31Å; K40-L43 PolarHBondContact O-N 2.88Å; K40-L43 VanDerWaalsContact O-N 3.07Å; L43-M45 VanDerWaalsContact C-N 3.26Å; L43-M45 PolarHBondContact O-N 3.07Å; L43-V46 WeakPolarHBondContact O-CA 3.39Å; L43-V46 WeakPolarHBondContact O-CB 3.42Å; L43-V46 PolarHBondContact O-N 3.4Å; L43-V47 HydrophobicContact CB-CG2 4.47Å; L43-V47 WeakPolarHBondContact O-CG2 3.29Å; L43-V47 PolarHBondContact O-N 3.34Å; L43-M54 HydrophobicContact CB-CE 3.4Å; L43-M54 HydrophobicContact CB-SD 3.81Å; L43-M54 HydrophobicContact CD1-CE 4.25Å; L43-M54 HydrophobicContact CD1-SD 3.84Å; L43-M54 HydrophobicContact CG-CE 4.49Å; L43-M54 HydrophobicContact CG-SD 4.49Å; L43-L56 HydrophobicContact CD1-CD1 4.03Å; L43-L56 HydrophobicContact CD1-CD2 3.58Å; L43-L56 HydrophobicContact CD1-CG 4.47Å; L43-V89 HydrophobicContact CD1-CG2 4.18Å
44E91.8Very high92.7Very high81 Ų8145.5 Ų45.538%0.37928%0.278SS..Hα-helixtrans-52.6-43.6176-176.9168.8161.900112K40 V46 G48 T49 A51K40-E44 PolarHBondContact O-N 3.31Å; E44-V46 PolarHBondContact O-N 3.25Å; E44-G48 WeakPolarHBondContact O-CA 3.3Å; E44-G48 PolarHBondContact O-N 3.05Å; E44-T49 WeakPolarHBondContact CA-O 3.28Å; E44-T49 WeakPolarHBondContact CB-O 3.23Å; E44-T49 WeakPolarHBondContact CG-O 3.3Å; E44-A51 PolarHBondContact OE2-N 2.88Å
45M88.4Confident92.6Very high168 Ų16847.6 Ų47.683%0.82829%0.288SS*.Hα-helixtrans-68.7-13.3176.1-66.2-61.2-63.900114.6L43L43-M45 VanDerWaalsContact C-N 3.26Å; L43-M45 PolarHBondContact O-N 3.07Å
46V89.7Confident92.6Very high43 Ų4346 Ų4626%0.26128%0.278SS..Hα-helixtrans-102.3-48.2-177.8-179.10000111L17 V26 K28 L43 E44L17-V46 HydrophobicContact CD1-CG1 4Å; V26-V46 HydrophobicContact CG1-CG1 4.42Å; K28-V46 HydrophobicContact CD-CG2 3.98Å; K28-V46 VanDerWaalsContact NZ-CG2 3.31Å; L43-V46 WeakPolarHBondContact O-CA 3.39Å; L43-V46 WeakPolarHBondContact O-CB 3.42Å; L43-V46 PolarHBondContact O-N 3.4Å; E44-V46 PolarHBondContact O-N 3.25Å
47V87.8Confident92.6Very high22 Ų2247.8 Ų47.813%0.13329%0.286CS..Hα-helixtrans-99.5-13.3-175.1-64.50000113.6L43 T49 M54 V89L43-V47 HydrophobicContact CB-CG2 4.47Å; L43-V47 WeakPolarHBondContact O-CG2 3.29Å; L43-V47 PolarHBondContact O-N 3.34Å; V47-T49 VanDerWaalsContact C-N 3.28Å; V47-T49 PolarHBondContact O-N 3.49Å; V47-M54 HydrophobicContact CG2-CE 3.37Å; V47-V89 HydrophobicContact CG1-CG2 4.2Å; V47-V89 HydrophobicContact CG2-CG1 4.16Å; V47-V89 HydrophobicContact CG2-CG2 4.42Å
48G87.2Confident92.6Very high60 Ų6045.6 Ų45.662%0.61927%0.268SS*.  trans77.17.8-178.900000115E44E44-G48 WeakPolarHBondContact O-CA 3.3Å; E44-G48 PolarHBondContact O-N 3.05Å
49T88.7Confident92.7Very high0 Ų042 Ų420%025%0.251CS..  trans-96126.1179.7-57.60000111E44 V47 M54 D91E44-T49 WeakPolarHBondContact CA-O 3.28Å; E44-T49 WeakPolarHBondContact CB-O 3.23Å; E44-T49 WeakPolarHBondContact CG-O 3.3Å; V47-T49 VanDerWaalsContact C-N 3.28Å; V47-T49 PolarHBondContact O-N 3.49Å; T49-M54 HydrophobicContact CG2-CB 4.25Å; T49-D91 HydrophobicContact CG2-CB 3.7Å; T49-D91 VanDerWaalsContact CG2-OD1 3.26Å; T49-D91 WeakPolarHBondContact CG2-OD1 3.24Å
50P91.4Very high92.6Very high51 Ų5143.4 Ų43.433%0.33126%0.261SS..  trans-56.2138.8176.2-25.233.9000112.9S52 S53 M54P50-S52 PolarHBondContact O-N 3.08Å; P50-S53 PolarHBondContact O-N 3.46Å; P50-S53 PolarHBondContact O-OG 2.87Å; P50-M54 WeakPolarHBondContact O-CB 3.36Å; P50-M54 PolarHBondContact O-N 3.36Å
51A91.9Very high92.5Very high32 Ų3245.8 Ų45.826%0.26428%0.277SS..THydrogen-bonded Turntrans-56.5-27.6-179.600000114.1K40 E44K40-A51 HydrophobicContact CB-CB 3.83Å; E44-A51 PolarHBondContact OE2-N 2.88Å
52S91.4Very high92.5Very high121 Ų12149.3 Ų49.385%0.84629%0.292SS*.THydrogen-bonded Turntrans-73.9-27.7178.756.50000114.1P50P50-S52 PolarHBondContact O-N 3.08Å
53S90.9Very high92.4Very high19 Ų1948.6 Ų48.613%0.13329%0.293CS..THydrogen-bonded Turntrans-102.46.6177.966.10000113P50 D91 R92P50-S53 PolarHBondContact O-N 3.46Å; P50-S53 PolarHBondContact O-OG 2.87Å; S53-D91 PolarHBondContact OG-OD1 2.98Å; S53-D91 VanDerWaalsContact OG-OD1 3.07Å; S53-R92 PolarHBondContact O-N 2.84Å
54M92.6Very high92.5Very high5 Ų555.8 Ų55.83%0.02532%0.324CS..EExtended strand (participates in β ladder)trans-91.4116.2-174.8-168.7-179.4-98.100112.2K40 L43 V47 T49 P50 L56 V89K40-M54 HydrophobicContact CB-SD 3.87Å; K40-M54 HydrophobicContact CD-CB 4.47Å; K40-M54 WeakPolarHBondContact CE-O 3.2Å; K40-M54 HydrophobicContact CG-CG 4.39Å; K40-M54 HydrophobicContact CG-SD 3.75Å; K40-M54 PolarHBondContact NZ-O 2.84Å; L43-M54 HydrophobicContact CB-CE 3.4Å; L43-M54 HydrophobicContact CB-SD 3.81Å; L43-M54 HydrophobicContact CD1-CE 4.25Å; L43-M54 HydrophobicContact CD1-SD 3.84Å; L43-M54 HydrophobicContact CG-CE 4.49Å; L43-M54 HydrophobicContact CG-SD 4.49Å; V47-M54 HydrophobicContact CG2-CE 3.37Å; T49-M54 HydrophobicContact CG2-CB 4.25Å; P50-M54 WeakPolarHBondContact O-CB 3.36Å; P50-M54 PolarHBondContact O-N 3.36Å; M54-L56 HydrophobicContact CG-CD2 3.79Å; M54-L56 HydrophobicContact CG-CG 4.31Å; M54-L56 HydrophobicContact SD-CD2 3.72Å; M54-L56 HydrophobicContact SD-CG 4.37Å; M54-V89 HydrophobicContact CE-CG1 3.49Å; M54-V89 VanDerWaalsContact CE-CG1 3.49Å; M54-V89 HydrophobicContact CE-CG2 4.27Å; M54-V89 HydrophobicContact CG-CG1 3.51Å; M54-V89 HydrophobicContact SD-CG1 4.06Å
55E94.7Very high92.7Very high57 Ų5756.6 Ų56.627%0.26633%0.327SS..EExtended strand (participates in β ladder)trans-103.9134165.1-74-169.5171.100110.8I90 R92E55-I90 HydrophobicContact CB-CB 4.09Å; E55-I90 PolarHBondContact N-O 3.49Å; E55-I90 PolarHBondContact O-N 2.8Å; E55-R92 IonicContact OE1-CZ 3.99Å; E55-R92 IonicContact OE1-NE 3.83Å; E55-R92 PolarHBondContact OE1-NE 3.42Å; E55-R92 IonicContact OE1-NH1 3.44Å; E55-R92 PolarHBondContact OE1-NH1 2.88Å; E55-R92 IonicContact OE1-NH2 2.67Å; E55-R92 PolarHBondContact OE1-NH2 3.25Å; E55-R92 IonicContact OE2-CZ 3.8Å; E55-R92 IonicContact OE2-NE 3.11Å; E55-R92 PolarHBondContact OE2-NE 3.35Å; E55-R92 IonicContact OE2-NH2 3.47Å; E55-R92 PolarHBondContact OE2-NH2 3.09Å
56L95.9Very high93Very high4 Ų452.2 Ų52.22%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-111.7130.1-176.3-62.5-177.7000110.7I36 F39 K40 L43 M54 K68 L69 I87 V89I36-L56 HydrophobicContact CG2-CD1 4.29Å; F39-L56 HydrophobicContact CD1-CD1 3.74Å; F39-L56 HydrophobicContact CE1-CD1 3.89Å; K40-L56 HydrophobicContact CG-CD1 3.78Å; K40-L56 HydrophobicContact CG-CG 4.31Å; L43-L56 HydrophobicContact CD1-CD1 4.03Å; L43-L56 HydrophobicContact CD1-CD2 3.58Å; L43-L56 HydrophobicContact CD1-CG 4.47Å; M54-L56 HydrophobicContact CG-CD2 3.79Å; M54-L56 HydrophobicContact CG-CG 4.31Å; M54-L56 HydrophobicContact SD-CD2 3.72Å; M54-L56 HydrophobicContact SD-CG 4.37Å; L56-K68 WeakPolarHBondContact O-CA 3.43Å; L56-L69 HydrophobicContact CB-CB 3.88Å; L56-L69 HydrophobicContact CB-CD1 4.06Å; L56-L69 HydrophobicContact CB-CG 4.23Å; L56-L69 HydrophobicContact CD1-CB 4.37Å; L56-L69 HydrophobicContact CD1-CD1 4.18Å; L56-L69 PolarHBondContact O-N 3.5Å; L56-I87 HydrophobicContact CB-CG2 4.5Å; L56-I87 HydrophobicContact CD2-CG2 4.08Å; L56-V89 HydrophobicContact CD2-CB 4.38Å; L56-V89 HydrophobicContact CD2-CG1 4.33Å; L56-V89 HydrophobicContact CD2-CG2 3.8Å
57Q96.8Very high93.3Very high37 Ų3753.7 Ų53.717%0.17331%0.309CS..EExtended strand (participates in β ladder)trans-118.7130.2173.3-66-173.2-11.900110F59 F65 K68 I87 H88 I90Q57-F59 HydrophobicContact CB-CD2 4.26Å; Q57-F59 HydrophobicContact CB-CE2 3.61Å; Q57-F59 HydrophobicContact CB-CZ 4.47Å; Q57-F65 HydrophobicContact CB-CD2 4.44Å; Q57-F65 HydrophobicContact CB-CE2 4.06Å; Q57-F65 HydrophobicContact CG-CE2 4.07Å; Q57-K68 HydrophobicContact CG-CG 4.42Å; Q57-I87 CarbonylContact O-C 3.57Å; Q57-I87 WeakPolarHBondContact O-CA 3.27Å; Q57-H88 HydrophobicContact CB-CB 4.36Å; Q57-H88 PolarHBondContact N-O 3.45Å; Q57-H88 PolarHBondContact O-N 2.79Å; Q57-I90 HydrophobicContact CG-CD1 3.95Å
58L96.9Very high93.7Very high0 Ų057.1 Ų57.10%032%0.322CS..EExtended strand (participates in β ladder)trans-93.3131.8175.6-178.766.6000110.1M66 Q67 L69 P80 V81 C85 I87L58-M66 HydrophobicContact CD2-CB 4.4Å; L58-M66 HydrophobicContact CD2-SD 4.21Å; L58-M66 HydrophobicContact CG-CB 4.32Å; L58-M66 HydrophobicContact CG-SD 4.16Å; L58-M66 WeakPolarHBondContact O-CB 3.38Å; L58-M66 PolarHBondContact O-N 2.84Å; L58-Q67 HydrophobicContact CD2-CG 4.42Å; L58-Q67 PolarHBondContact N-O 3.41Å; L58-Q67 PolarHBondContact O-N 2.88Å; L58-L69 HydrophobicContact CB-CD2 4.46Å; L58-P80 HydrophobicContact CD2-CG 4.09Å; L58-V81 HydrophobicContact CD1-CB 4.32Å; L58-V81 HydrophobicContact CD1-CG1 4.21Å; L58-V81 HydrophobicContact CD1-CG2 3.81Å; L58-V81 HydrophobicContact CD2-CG2 3.89Å; L58-V81 HydrophobicContact CG-CG2 4.49Å; L58-C85 HydrophobicContact CD1-CB 3.97Å; L58-I87 HydrophobicContact CD1-CG1 4.02Å
59F97Very high94.1Very high31 Ų3154.4 Ų54.414%0.13629%0.293CS..EExtended strand (participates in β ladder)trans-123.9147.1175.1-68.5-101.6000109.7Q57 D63 K64 F65 K86 H88Q57-F59 HydrophobicContact CB-CD2 4.26Å; Q57-F59 HydrophobicContact CB-CE2 3.61Å; Q57-F59 HydrophobicContact CB-CZ 4.47Å; F59-D63 WeakPolarHBondContact CD1-O 3.36Å; F59-K64 CarbonylContact C-O 3.59Å; F59-K64 VanDerWaalsContact CA-O 3.31Å; F59-K64 WeakPolarHBondContact CA-O 3.17Å; F59-F65 VanDerWaalsContact CD1-CA 3.5Å; F59-F65 HydrophobicContact CD1-CB 4.05Å; F59-F65 HydrophobicContact CE1-CB 3.73Å; F59-F65 HydrophobicContact CE1-CD2 4.18Å; F59-F65 HydrophobicContact CE1-CG 4.48Å; F59-F65 HydrophobicContact CE2-CD2 4.25Å; F59-F65 HydrophobicContact CZ-CB 4.33Å; F59-F65 AromaticContact CZ-CD2 3.93Å; F59-F65 HydrophobicContact CZ-CD2 3.93Å; F59-K86 HydrophobicContact CB-CB 3.98Å; F59-K86 HydrophobicContact CB-CG 4.49Å; F59-K86 WeakPolarHBondContact CB-O 3.12Å; F59-K86 PolarHBondContact N-O 3.36Å; F59-K86 PolarHBondContact O-N 3.35Å; F59-H88 HydrophobicContact CD2-CB 3.97Å; F59-H88 HydrophobicContact CE2-CB 3.59Å
60S95Very high94.2Very high31 Ų3160.2 Ų60.222%0.21732%0.324CS..  trans-64.1168.7172.4-1780000111.5T62 D63 K64S60-T62 PolarHBondContact O-N 3.42Å; S60-T62 VanDerWaalsContact O-N 3.16Å; S60-D63 PolarHBondContact O-N 2.91Å; S60-K64 PolarHBondContact N-O 3.43Å
61T93.1Very high94.4Very high70 Ų7061.5 Ų61.543%0.42933%0.329SS..THydrogen-bonded Turntrans-56-27.8170.856.10000112.7R16 D63 D84R16-T61 PolarHBondContact NH2-O 2.88Å; T61-D63 VanDerWaalsContact C-N 3.33Å; T61-D84 HydrophobicContact CG2-CB 4.21Å
62T94.2Very high94.5Very high106 Ų10663.6 Ų63.665%0.6534%0.335SS*.THydrogen-bonded Turntrans-90.215.8175.660.90000114.2S60 K64S60-T62 PolarHBondContact O-N 3.42Å; S60-T62 VanDerWaalsContact O-N 3.16Å; T62-K64 PolarHBondContact O-N 2.92Å; T62-K64 VanDerWaalsContact O-N 3.13Å
63D92.2Very high94.7Very high82 Ų8266 Ų6644%0.43933%0.333SS..  trans60.120.5-179.4-65.5-40.8000115.2R16 F59 S60 T61 K86R16-D63 IonicContact NH2-OD1 3.71Å; F59-D63 WeakPolarHBondContact CD1-O 3.36Å; S60-D63 PolarHBondContact O-N 2.91Å; T61-D63 VanDerWaalsContact C-N 3.33Å; D63-K86 WeakPolarHBondContact OD1-CD 3.32Å; D63-K86 WeakPolarHBondContact OD1-CE 3.41Å; D63-K86 IonicContact OD1-NZ 3.05Å; D63-K86 PolarHBondContact OD1-NZ 3.4Å; D63-K86 IonicContact OD2-NZ 3.93Å
64K95.4Very high94.8Very high152 Ų15265.9 Ų65.966%0.66133%0.333SS*.  trans-79.4126.1170.5-172.4179.5179-178.30110.1F59 S60 T62 M66F59-K64 CarbonylContact C-O 3.59Å; F59-K64 VanDerWaalsContact CA-O 3.31Å; F59-K64 WeakPolarHBondContact CA-O 3.17Å; S60-K64 PolarHBondContact N-O 3.43Å; T62-K64 PolarHBondContact O-N 2.92Å; T62-K64 VanDerWaalsContact O-N 3.13Å; K64-M66 PolarHBondContact O-N 2.88Å
65F96.1Very high95Very high97 Ų9769.5 Ų69.543%0.42535%0.353SS..EExtended strand (participates in β ladder)trans-57.1132173.6176.2-99.7000110.7Q57 F59 K68Q57-F65 HydrophobicContact CB-CD2 4.44Å; Q57-F65 HydrophobicContact CB-CE2 4.06Å; Q57-F65 HydrophobicContact CG-CE2 4.07Å; F59-F65 VanDerWaalsContact CD1-CA 3.5Å; F59-F65 HydrophobicContact CD1-CB 4.05Å; F59-F65 HydrophobicContact CE1-CB 3.73Å; F59-F65 HydrophobicContact CE1-CD2 4.18Å; F59-F65 HydrophobicContact CE1-CG 4.48Å; F59-F65 HydrophobicContact CE2-CD2 4.25Å; F59-F65 HydrophobicContact CZ-CB 4.33Å; F59-F65 AromaticContact CZ-CD2 3.93Å; F59-F65 HydrophobicContact CZ-CD2 3.93Å; F65-K68 HydrophobicContact CZ-CG 4.29Å
66M94.8Very high94.9Very high77 Ų7766.8 Ų66.838%0.37934%0.34SS..EExtended strand (participates in β ladder)trans-107.9-68178.7-60.8-178.770.600110.4L58 K64 P80L58-M66 HydrophobicContact CD2-CB 4.4Å; L58-M66 HydrophobicContact CD2-SD 4.21Å; L58-M66 HydrophobicContact CG-CB 4.32Å; L58-M66 HydrophobicContact CG-SD 4.16Å; L58-M66 WeakPolarHBondContact O-CB 3.38Å; L58-M66 PolarHBondContact O-N 2.84Å; K64-M66 PolarHBondContact O-N 2.88Å; M66-P80 HydrophobicContact CE-CB 4.08Å; M66-P80 HydrophobicContact CE-CG 3.79Å
67Q95.8Very high94.7Very high73 Ų7368 Ų6834%0.34135%0.354SS..EExtended strand (participates in β ladder)trans-163.3175.5-177.964.3-174.9-11.700112.3L58L58-Q67 HydrophobicContact CD2-CG 4.42Å; L58-Q67 PolarHBondContact N-O 3.41Å; L58-Q67 PolarHBondContact O-N 2.88Å
68K96.2Very high94.5Very high95 Ų9570.2 Ų70.241%0.41337%0.373SS..EExtended strand (participates in β ladder)trans-92.2151.3172.8-62.2-173.7179.2-175.30110.8L56 Q57 F65L56-K68 WeakPolarHBondContact O-CA 3.43Å; Q57-K68 HydrophobicContact CG-CG 4.42Å; F65-K68 HydrophobicContact CZ-CG 4.29Å
69L94.8Very high94.3Very high2 Ų271.4 Ų71.41%0.0138%0.378CS..  trans-104.478.8170.2-47170.9000107.9I36 L56 L58 L76 Y79 I87I36-L69 HydrophobicContact CD1-CB 4.04Å; I36-L69 HydrophobicContact CD1-CD1 4.25Å; I36-L69 HydrophobicContact CG1-CB 4.41Å; I36-L69 HydrophobicContact CG2-CB 4.35Å; L56-L69 HydrophobicContact CB-CB 3.88Å; L56-L69 HydrophobicContact CB-CD1 4.06Å; L56-L69 HydrophobicContact CB-CG 4.23Å; L56-L69 HydrophobicContact CD1-CB 4.37Å; L56-L69 HydrophobicContact CD1-CD1 4.18Å; L56-L69 PolarHBondContact O-N 3.5Å; L58-L69 HydrophobicContact CB-CD2 4.46Å; L69-L76 HydrophobicContact CD1-CD1 4.45Å; L69-Y79 HydrophobicContact CD2-CD1 3.26Å; L69-Y79 HydrophobicContact CD2-CD2 3.67Å; L69-Y79 HydrophobicContact CD2-CE1 3.64Å; L69-Y79 HydrophobicContact CD2-CE2 4.01Å; L69-Y79 HydrophobicContact CD2-CG 3.26Å; L69-I87 HydrophobicContact CD1-CD1 4.25Å
70D91.9Very high94.1Very high122 Ų12272.6 Ų72.665%0.65239%0.388SS*.  trans-102.4-19.9-170.554.8-7.8000114.5N72D70-N72 PolarHBondContact O-N 3.23Å
71D94.4Very high93.9Very high78 Ų7871.1 Ų71.142%0.41738%0.378SS..  trans-84.4107.8173.7-174.2-9.5000110.8I36 E73 A74 Y79I36-D71 VanDerWaalsContact CB-O 3.23Å; I36-D71 WeakPolarHBondContact CB-O 3.45Å; I36-D71 VanDerWaalsContact CG1-O 3.3Å; I36-D71 WeakPolarHBondContact CG1-O 3.42Å; D71-E73 VanDerWaalsContact C-N 3.28Å; D71-E73 PolarHBondContact O-N 3.47Å; D71-E73 PolarHBondContact OD1-N 3.43Å; D71-A74 HydrophobicContact CB-CB 3.82Å; D71-A74 PolarHBondContact O-N 2.85Å; D71-A74 PolarHBondContact OD1-N 2.96Å; D71-Y79 WeakPolarHBondContact CB-OH 3.32Å; D71-Y79 PolarHBondContact N-OH 3.34Å
72N93.9Very high93.9Very high76 Ų7672.3 Ų72.341%0.40638%0.382SS..SBendtrans-69.1-22.8-178.8-75.8-25.4000113.6T35 A37 K40 D70T35-N72 WeakPolarHBondContact CB-O 3.48Å; A37-N72 HydrophobicContact CB-CB 4.16Å; A37-N72 WeakPolarHBondContact CB-O 3.26Å; A37-N72 PolarHBondContact N-O 3.15Å; K40-N72 PolarHBondContact NZ-OD1 2.93Å; D70-N72 PolarHBondContact O-N 3.23Å
73E95.3Very high93.8Very high171 Ų17171.2 Ų71.280%0.79937%0.372SS*.SBendtrans-89.5-23.3-179.2-61.3-169.9161.400111.9D71D71-E73 VanDerWaalsContact C-N 3.28Å; D71-E73 PolarHBondContact O-N 3.47Å; D71-E73 PolarHBondContact OD1-N 3.43Å
74A94.8Very high93.9Very high17 Ų1770.9 Ų70.914%0.1437%0.37CS..SBendtrans-62.6146.8176.400000112.1T35 I36 D71 Y79T35-A74 CarbonylContact C-O 3.4Å; T35-A74 VanDerWaalsContact CA-O 3.29Å; T35-A74 WeakPolarHBondContact CA-O 3.41Å; I36-A74 PolarHBondContact N-O 2.85Å; D71-A74 HydrophobicContact CB-CB 3.82Å; D71-A74 PolarHBondContact O-N 2.85Å; D71-A74 PolarHBondContact OD1-N 2.96Å; A74-Y79 HydrophobicContact CB-CE2 3.78Å
75L94.9Very high93.8Very high82 Ų8263.8 Ų63.843%0.42934%0.34SS..BIsolated β-bridgetrans-75145.6175.5-61.1-179.3000110G33 I34 T35 G77 S78 Y79G33-L75 WeakPolarHBondContact O-CD2 3.47Å; I34-L75 CarbonylContact O-C 3.59Å; I34-L75 WeakPolarHBondContact O-CA 3.43Å; T35-L75 HydrophobicContact CG2-CD2 4.27Å; L75-G77 PolarHBondContact O-N 3.48Å; L75-G77 VanDerWaalsContact O-N 3.1Å; L75-S78 PolarHBondContact O-N 3.5Å; L75-S78 PolarHBondContact O-OG 2.88Å; L75-Y79 WeakPolarHBondContact O-CD2 3.22Å
76L94.1Very high93.9Very high0 Ų060.7 Ų60.70%033%0.326CS..G310 helixtrans-54.7-35.7173.2-178.962.2000111.6V13 R32 I34 I36 F39 L69 S78 Y79 V81V13-L76 HydrophobicContact CG1-CD2 4.15Å; R32-L76 PolarHBondContact O-N 2.83Å; I34-L76 HydrophobicContact CD1-CD2 4.44Å; I34-L76 HydrophobicContact CG1-CB 4.22Å; I34-L76 PolarHBondContact O-N 3.49Å; I36-L76 HydrophobicContact CD1-CB 4.4Å; I36-L76 HydrophobicContact CD1-CD1 3.97Å; F39-L76 HydrophobicContact CD1-CD1 4.13Å; F39-L76 HydrophobicContact CD2-CD2 4.14Å; F39-L76 HydrophobicContact CE1-CD1 4.16Å; F39-L76 HydrophobicContact CE2-CD2 4.23Å; F39-L76 HydrophobicContact CG-CD1 4.49Å; F39-L76 HydrophobicContact CG-CD2 4.42Å; L69-L76 HydrophobicContact CD1-CD1 4.45Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 3.43Å; L76-Y79 PolarHBondContact O-N 2.84Å; L76-V81 HydrophobicContact CD1-CG2 4.01Å
77G91.2Very high93.9Very high30 Ų3057 Ų5731%0.30931%0.308SS..G310 helixtrans-71-14.9177.300000115.8R32 L75 Y79R32-G77 WeakPolarHBondContact O-CA 3.4Å; R32-G77 PolarHBondContact O-N 3.22Å; L75-G77 PolarHBondContact O-N 3.48Å; L75-G77 VanDerWaalsContact O-N 3.1Å; G77-Y79 PolarHBondContact O-N 3.13Å
78S91.9Very high93.9Very high83 Ų8355.6 Ų55.658%0.5830%0.301SS*.G310 helixtrans-76.1-10.6173.765.10000112.6L75 L76L75-S78 PolarHBondContact O-N 3.5Å; L75-S78 PolarHBondContact O-OG 2.88Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 3.43Å
79Y93.4Very high93.9Very high24 Ų2451 Ų519%0.09428%0.282CS..SBendtrans-96.4152.8173.3-62.1-87.6000110.4I36 L69 D71 A74 L75 L76 G77 V81I36-Y79 HydrophobicContact CD1-CD2 4.03Å; I36-Y79 HydrophobicContact CD1-CE2 3.76Å; I36-Y79 HydrophobicContact CG1-CD2 4.35Å; I36-Y79 HydrophobicContact CG1-CE2 3.59Å; L69-Y79 HydrophobicContact CD2-CD1 3.26Å; L69-Y79 HydrophobicContact CD2-CD2 3.67Å; L69-Y79 HydrophobicContact CD2-CE1 3.64Å; L69-Y79 HydrophobicContact CD2-CE2 4.01Å; L69-Y79 HydrophobicContact CD2-CG 3.26Å; D71-Y79 WeakPolarHBondContact CB-OH 3.32Å; D71-Y79 PolarHBondContact N-OH 3.34Å; A74-Y79 HydrophobicContact CB-CE2 3.78Å; L75-Y79 WeakPolarHBondContact O-CD2 3.22Å; L76-Y79 PolarHBondContact O-N 2.84Å; G77-Y79 PolarHBondContact O-N 3.13Å; Y79-V81 PolarHBondContact O-N 3.31Å
80P92.6Very high93.8Very high56 Ų5652.6 Ų52.636%0.36429%0.29SS..  trans-7654.8176.136.3-34.5000110.3L58 M66L58-P80 HydrophobicContact CD2-CG 4.09Å; M66-P80 HydrophobicContact CE-CB 4.08Å; M66-P80 HydrophobicContact CE-CG 3.79Å
81V91.6Very high93.7Very high0 Ų047.8 Ų47.80%026%0.264CS..  trans-87.6110.3173.6-1740000106.9V13 V15 R32 L58 L76 Y79 C85 I87V13-V81 HydrophobicContact CG1-CG1 4.2Å; V13-V81 HydrophobicContact CG2-CG1 4.05Å; V15-V81 HydrophobicContact CG1-CG1 3.43Å; V15-V81 VanDerWaalsContact CG1-CG1 3.43Å; R32-V81 PolarHBondContact NH1-O 3.11Å; R32-V81 PolarHBondContact NH2-O 2.96Å; L58-V81 HydrophobicContact CD1-CB 4.32Å; L58-V81 HydrophobicContact CD1-CG1 4.21Å; L58-V81 HydrophobicContact CD1-CG2 3.81Å; L58-V81 HydrophobicContact CD2-CG2 3.89Å; L58-V81 HydrophobicContact CG-CG2 4.49Å; L76-V81 HydrophobicContact CD1-CG2 4.01Å; Y79-V81 PolarHBondContact O-N 3.31Å; V81-C85 HydrophobicContact CG1-CB 4.29Å; V81-I87 HydrophobicContact CG1-CD1 4.29Å
82D91.9Very high93.4Very high96 Ų9651.7 Ų51.751%0.51327%0.273SS..  trans-106.1172.8174.3-68.6-50000110.7V13 D84 C85V13-D82 VanDerWaalsContact CG2-C 3.41Å; V13-D82 WeakPolarHBondContact CG2-O 3.5Å; D82-D84 PolarHBondContact O-N 3.3Å; D82-C85 PolarHBondContact N-SG 2.99Å; D82-C85 VanDerWaalsContact O-CB 3.24Å; D82-C85 WeakPolarHBondContact O-CB 3.49Å; D82-C85 PolarHBondContact O-N 3.1Å; D82-C85 VanDerWaalsContact O-N 3.13Å
83D93.4Very high92.9Very high83 Ų8351.2 Ų51.244%0.44428%0.276SS..THydrogen-bonded Turntrans-58.1138176-75.9-29.7000110.2V13 S14 C85V13-D83 WeakPolarHBondContact CA-OD1 3.46Å; S14-D83 PolarHBondContact N-OD1 2.99Å; S14-D83 CarbonylContact O-C 3.55Å; S14-D83 WeakPolarHBondContact O-CA 3.35Å; D83-C85 PolarHBondContact O-N 3.48Å
84D93.2Very high91.9Very high74 Ų7446.2 Ų46.240%0.39627%0.27SS..THydrogen-bonded Turntrans64.79.8-175.8-61.2-49.8000115.9S14 R16 N27 T61 D82S14-D84 PolarHBondContact O-N 2.77Å; R16-D84 VanDerWaalsContact CZ-O 3.3Å; R16-D84 PolarHBondContact NH1-O 2.82Å; N27-D84 PolarHBondContact ND2-OD1 3.17Å; T61-D84 HydrophobicContact CG2-CB 4.21Å; D82-D84 PolarHBondContact O-N 3.3Å
85C94.7Very high90.7Very high4 Ų448 Ų483%0.02729%0.285CS..  trans-59144.6163.4-81.60000110.6V15 R16 L58 V81 D82 D83V15-C85 WeakPolarHBondContact CA-O 3.37Å; R16-C85 PolarHBondContact N-O 3.03Å; L58-C85 HydrophobicContact CD1-CB 3.97Å; V81-C85 HydrophobicContact CG1-CB 4.29Å; D82-C85 PolarHBondContact N-SG 2.99Å; D82-C85 VanDerWaalsContact O-CB 3.24Å; D82-C85 WeakPolarHBondContact O-CB 3.49Å; D82-C85 PolarHBondContact O-N 3.1Å; D82-C85 VanDerWaalsContact O-N 3.13Å; D83-C85 PolarHBondContact O-N 3.48Å
86K96.4Very high89.3Confident32 Ų3250.5 Ų50.514%0.13929%0.294CS..EExtended strand (participates in β ladder)trans-95126.3177176.6179.875.2-167.70110.2R16 T18 F59 D63R16-K86 HydrophobicContact CB-CB 4.36Å; R16-K86 CarbonylContact O-C 3.49Å; R16-K86 VanDerWaalsContact O-CA 3.27Å; R16-K86 WeakPolarHBondContact O-CA 3.23Å; T18-K86 HydrophobicContact CG2-CD 3.92Å; T18-K86 HydrophobicContact CG2-CG 4.24Å; F59-K86 HydrophobicContact CB-CB 3.98Å; F59-K86 HydrophobicContact CB-CG 4.49Å; F59-K86 WeakPolarHBondContact CB-O 3.12Å; F59-K86 PolarHBondContact N-O 3.36Å; F59-K86 PolarHBondContact O-N 3.35Å; D63-K86 WeakPolarHBondContact OD1-CD 3.32Å; D63-K86 WeakPolarHBondContact OD1-CE 3.41Å; D63-K86 IonicContact OD1-NZ 3.05Å; D63-K86 PolarHBondContact OD1-NZ 3.4Å; D63-K86 IonicContact OD2-NZ 3.93Å
87I96.6Very high87.9Confident0 Ų054.3 Ų54.30%032%0.321CS..EExtended strand (participates in β ladder)trans-105.9113.4169.2-62.4179.3000107.1V15 R16 L17 T18 F39 L56 Q57 L58 L69 V81V15-I87 HydrophobicContact CB-CD1 4.1Å; V15-I87 HydrophobicContact CB-CG1 4.35Å; V15-I87 HydrophobicContact CG1-CD1 3.94Å; V15-I87 HydrophobicContact CG1-CG1 4.43Å; V15-I87 HydrophobicContact CG2-CD1 4.09Å; R16-I87 PolarHBondContact O-N 3.35Å; L17-I87 WeakPolarHBondContact CA-O 3.11Å; L17-I87 HydrophobicContact CD2-CB 4Å; L17-I87 HydrophobicContact CD2-CG2 4.42Å; T18-I87 PolarHBondContact N-O 3.1Å; F39-I87 HydrophobicContact CE1-CD1 3.66Å; F39-I87 HydrophobicContact CE1-CG2 4.24Å; F39-I87 HydrophobicContact CZ-CD1 3.57Å; L56-I87 HydrophobicContact CB-CG2 4.5Å; L56-I87 HydrophobicContact CD2-CG2 4.08Å; Q57-I87 CarbonylContact O-C 3.57Å; Q57-I87 WeakPolarHBondContact O-CA 3.27Å; L58-I87 HydrophobicContact CD1-CG1 4.02Å; L69-I87 HydrophobicContact CD1-CD1 4.25Å; V81-I87 HydrophobicContact CG1-CD1 4.29Å
88H95.8Very high86.6Confident42 Ų4254 Ų5419%0.19432%0.318CS..EExtended strand (participates in β ladder)trans-95.1122.7176.7-170.365.5000109.8T18 T20 Q57 F59T18-H88 WeakPolarHBondContact OG1-CA 3.47Å; T18-H88 PolarHBondContact OG1-ND1 2.89Å; T20-H88 WeakPolarHBondContact CG2-NE2 3.43Å; Q57-H88 HydrophobicContact CB-CB 4.36Å; Q57-H88 PolarHBondContact N-O 3.45Å; Q57-H88 PolarHBondContact O-N 2.79Å; F59-H88 HydrophobicContact CD2-CB 3.97Å; F59-H88 HydrophobicContact CE2-CB 3.59Å
89V94.7Very high85.4Confident0 Ų055.2 Ų55.20%032%0.315CS..EExtended strand (participates in β ladder)trans-93.4117.9178.3-174.90000109.2T18 S19 T20 L43 V47 M54 L56T18-V89 WeakPolarHBondContact O-CB 3.14Å; T18-V89 PolarHBondContact O-N 2.78Å; S19-V89 CarbonylContact C-O 3.58Å; S19-V89 VanDerWaalsContact CA-O 3.26Å; S19-V89 WeakPolarHBondContact CA-O 3.41Å; T20-V89 PolarHBondContact N-O 3.3Å; L43-V89 HydrophobicContact CD1-CG2 4.18Å; V47-V89 HydrophobicContact CG1-CG2 4.2Å; V47-V89 HydrophobicContact CG2-CG1 4.16Å; V47-V89 HydrophobicContact CG2-CG2 4.42Å; M54-V89 HydrophobicContact CE-CG1 3.49Å; M54-V89 VanDerWaalsContact CE-CG1 3.49Å; M54-V89 HydrophobicContact CE-CG2 4.27Å; M54-V89 HydrophobicContact CG-CG1 3.51Å; M54-V89 HydrophobicContact SD-CG1 4.06Å; L56-V89 HydrophobicContact CD2-CB 4.38Å; L56-V89 HydrophobicContact CD2-CG1 4.33Å; L56-V89 HydrophobicContact CD2-CG2 3.8Å
90I92.8Very high84.1Confident34 Ų3463.6 Ų63.617%0.17435%0.352CS..EExtended strand (participates in β ladder)trans-100118173.1-61.2175.9000108T20 E55 Q57 R92T20-I90 HydrophobicContact CG2-CB 4.16Å; T20-I90 HydrophobicContact CG2-CG1 3.93Å; T20-I90 HydrophobicContact CG2-CG2 4.19Å; E55-I90 HydrophobicContact CB-CB 4.09Å; E55-I90 PolarHBondContact N-O 3.49Å; E55-I90 PolarHBondContact O-N 2.8Å; Q57-I90 HydrophobicContact CG-CD1 3.95Å; I90-R92 HydrophobicContact CG2-CG 4.42Å
91D89.6Confident83Confident22 Ų2265 Ų6512%0.11836%0.362CS..EExtended strand (participates in β ladder)trans-86.8124.3172.2-175.720.6000111.2T20 I21 T49 S53 S93 A95T20-D91 PolarHBondContact OG1-N 3.48Å; I21-D91 HydrophobicContact CG2-CB 4.09Å; T49-D91 HydrophobicContact CG2-CB 3.7Å; T49-D91 VanDerWaalsContact CG2-OD1 3.26Å; T49-D91 WeakPolarHBondContact CG2-OD1 3.24Å; S53-D91 PolarHBondContact OG-OD1 2.98Å; S53-D91 VanDerWaalsContact OG-OD1 3.07Å; D91-S93 WeakPolarHBondContact OD1-CB 3.49Å; D91-S93 PolarHBondContact OD1-N 2.99Å; D91-S93 PolarHBondContact OD1-OG 3.35Å; D91-S93 VanDerWaalsContact OD1-OG 3.05Å; D91-S93 PolarHBondContact OD2-OG 2.84Å; D91-A95 WeakPolarHBondContact OD2-CB 3.29Å
92R88.3Confident82.1Confident159 Ų15967.7 Ų67.760%0.638%0.377SS*.  trans-105.19.3173-65.5-163.7175.3-164.810.7114S53 E55 I90 G94S53-R92 PolarHBondContact O-N 2.84Å; E55-R92 IonicContact OE1-CZ 3.99Å; E55-R92 IonicContact OE1-NE 3.83Å; E55-R92 PolarHBondContact OE1-NE 3.42Å; E55-R92 IonicContact OE1-NH1 3.44Å; E55-R92 PolarHBondContact OE1-NH1 2.88Å; E55-R92 IonicContact OE1-NH2 2.67Å; E55-R92 PolarHBondContact OE1-NH2 3.25Å; E55-R92 IonicContact OE2-CZ 3.8Å; E55-R92 IonicContact OE2-NE 3.11Å; E55-R92 PolarHBondContact OE2-NE 3.35Å; E55-R92 IonicContact OE2-NH2 3.47Å; E55-R92 PolarHBondContact OE2-NH2 3.09Å; I90-R92 HydrophobicContact CG2-CG 4.42Å; R92-G94 PolarHBondContact O-N 3.4Å
93S82.9Confident81.5Confident67 Ų6768.2 Ų68.247%0.46938%0.379SS..SBendtrans-67.5-18.8179.376.60000113.7D91 A95D91-S93 WeakPolarHBondContact OD1-CB 3.49Å; D91-S93 PolarHBondContact OD1-N 2.99Å; D91-S93 PolarHBondContact OD1-OG 3.35Å; D91-S93 VanDerWaalsContact OD1-OG 3.05Å; D91-S93 PolarHBondContact OD2-OG 2.84Å; S93-A95 PolarHBondContact OG-N 3.01Å
94G74.3Confident80.9Confident66 Ų6669 Ų6968%0.6839%0.391SS*.  trans93.53.6-174.500000114.3R92 Q96R92-G94 PolarHBondContact O-N 3.4Å; G94-Q96 PolarHBondContact O-N 3.18Å
95A70.4Confident80.2Confident55 Ų5572.5 Ų72.546%0.45540%0.403SS..PPolyproline II helixtrans-59.6132.1171.300000110.9I21 D91 S93I21-A95 HydrophobicContact CG2-CB 4.29Å; D91-A95 WeakPolarHBondContact OD2-CB 3.29Å; S93-A95 PolarHBondContact OG-N 3.01Å
96Q65.6Low79.6Confident134 Ų13476.3 Ų76.363%0.62643%0.426SS*.PPolyproline II helixtrans-81.7128.8179.2-65.2-158-21.900110.6G94 G98 E99G94-Q96 PolarHBondContact O-N 3.18Å; Q96-G98 PolarHBondContact O-N 2.89Å; Q96-E99 HydrophobicContact CB-CB 4.46Å
97S65.4Low79Confident80 Ų8083.9 Ų83.956%0.55946%0.462SS*.THydrogen-bonded Turntrans-59.7131.6173.7-166.30000110.5T20 E99T20-S97 WeakPolarHBondContact O-CB 3.41Å; T20-S97 PolarHBondContact O-OG 2.66Å; S97-E99 VanDerWaalsContact C-N 3.33Å; S97-E99 PolarHBondContact O-N 2.93Å
98G63.6Low78.5Confident24 Ų2490.4 Ų90.425%0.24749%0.49CS..THydrogen-bonded Turntrans77.25.9172.800000116.9Q96 F100 S101 D102Q96-G98 PolarHBondContact O-N 2.89Å; G98-F100 VanDerWaalsContact C-N 3.26Å; G98-F100 PolarHBondContact O-N 3.17Å; G98-S101 WeakPolarHBondContact CA-OG 3.44Å; G98-S101 PolarHBondContact O-N 3Å; G98-S101 PolarHBondContact O-OG 3.36Å; G98-D102 WeakPolarHBondContact O-CB 3.3Å; G98-D102 PolarHBondContact O-N 3.41Å
99E66.7Low78Confident108 Ų10896.7 Ų96.751%0.50552%0.517SS..THydrogen-bonded Turntrans-56-38.3-179.4-171.6173.1-175.200113.1Q96 S97Q96-E99 HydrophobicContact CB-CB 4.46Å; S97-E99 VanDerWaalsContact C-N 3.33Å; S97-E99 PolarHBondContact O-N 2.93Å
100F65.4Low77.5Confident200 Ų200104.3 Ų104.388%0.87755%0.553SS**THydrogen-bonded Turntrans-87.7-12178.2-61.9-78.9000114.3G98G98-F100 VanDerWaalsContact C-N 3.26Å; G98-F100 PolarHBondContact O-N 3.17Å
101S69.5Low77.1Confident84 Ų84105.5 Ų105.559%0.58756%0.559SS**THydrogen-bonded Turntrans-99.4-13.9177.756.80000113.3G98 L103G98-S101 WeakPolarHBondContact CA-OG 3.44Å; G98-S101 PolarHBondContact O-N 3Å; G98-S101 PolarHBondContact O-OG 3.36Å; S101-L103 PolarHBondContact O-N 3.03Å
102D73.6Confident77.2Confident58 Ų58108 Ų10831%0.3158%0.577SS.*  trans-76.687.2179.9-174.89000111.2G98 S104 K105G98-D102 WeakPolarHBondContact O-CB 3.3Å; G98-D102 PolarHBondContact O-N 3.41Å; D102-S104 VanDerWaalsContact CG-OG 3.27Å; D102-S104 PolarHBondContact O-N 2.89Å; D102-S104 WeakPolarHBondContact OD1-CB 3.28Å; D102-S104 PolarHBondContact OD1-N 3.23Å; D102-S104 PolarHBondContact OD1-OG 3.39Å; D102-S104 PolarHBondContact OD2-OG 2.93Å; D102-K105 WeakPolarHBondContact OD2-CE 3.48Å; D102-K105 IonicContact OD2-NZ 3.99Å
103L78.3Confident77.1Confident106 Ų106105.5 Ų105.556%0.55558%0.575SS**THydrogen-bonded Turntrans-71.5-2.3176.6-58178.3000113.3S101 K105 V106S101-L103 PolarHBondContact O-N 3.03Å; L103-K105 VanDerWaalsContact C-N 3.32Å; L103-V106 PolarHBondContact O-N 3.13Å
104S81.3Confident77.3Confident99 Ų99109.1 Ų109.169%0.69258%0.584SS**THydrogen-bonded Turntrans-71.7-28.4178.374.60000112.6D102 V106D102-S104 VanDerWaalsContact CG-OG 3.27Å; D102-S104 PolarHBondContact O-N 2.89Å; D102-S104 WeakPolarHBondContact OD1-CB 3.28Å; D102-S104 PolarHBondContact OD1-N 3.23Å; D102-S104 PolarHBondContact OD1-OG 3.39Å; D102-S104 PolarHBondContact OD2-OG 2.93Å; S104-V106 VanDerWaalsContact C-N 3.33Å
105K78.1Confident77.9Confident149 Ų149109.5 Ų109.565%0.64857%0.573SS**SBendtrans-84.6-9.8178.8-61.3176.1-174.5167.60113.1D102 L103D102-K105 WeakPolarHBondContact OD2-CE 3.48Å; D102-K105 IonicContact OD2-NZ 3.99Å; L103-K105 VanDerWaalsContact C-N 3.32Å
106V82.3Confident78.5Confident83 Ų83110.3 Ų110.350%0.50357%0.565SS.*SBendtrans-86.9117.1179.5-178.20000108.6L103 S104 K108L103-V106 PolarHBondContact O-N 3.13Å; S104-V106 VanDerWaalsContact C-N 3.33Å; V106-K108 PolarHBondContact O-N 3.47Å
107E84.4Confident79.4Confident192 Ų192109.4 Ų109.490%0.89756%0.561SS**  trans-63.6108.3171.1-169.1178.9171.600109
108K85.1Confident80.4Confident137 Ų137113.1 Ų113.160%0.59657%0.567SS**  trans-83.7120.6177.8-65.3178.4-174.1174.60108.2V106 E110V106-K108 PolarHBondContact O-N 3.47Å; K108-E110 PolarHBondContact O-N 2.69Å
109F85.9Confident81.5Confident174 Ų174117 Ų11776%0.76357%0.574SS**  trans-74.1112.6170.1179-109.5000109.7I111F109-I111 HydrophobicContact CD1-CG1 4.06Å; F109-I111 HydrophobicContact CE1-CD1 4.38Å; F109-I111 HydrophobicContact CE1-CG1 3.44Å; F109-I111 VanDerWaalsContact CE1-CG1 3.44Å; F109-I111 HydrophobicContact CZ-CG1 4.19Å
110E83.3Confident82.4Confident160 Ų160118.2 Ų118.275%0.74859%0.589SS**PPolyproline II helixtrans-100121.4171.5-66.5-173.6-178.400109.2K108 P112K108-E110 PolarHBondContact O-N 2.69Å; E110-P112 WeakPolarHBondContact O-CD 3.29Å
111I86.1Confident83.4Confident59 Ų59114 Ų11430%0.30358%0.576SS.*PPolyproline II helixtrans-72.4122.6175.9-61.3168.8000107.3F109 V115 Y116F109-I111 HydrophobicContact CD1-CG1 4.06Å; F109-I111 HydrophobicContact CE1-CD1 4.38Å; F109-I111 HydrophobicContact CE1-CG1 3.44Å; F109-I111 VanDerWaalsContact CE1-CG1 3.44Å; F109-I111 HydrophobicContact CZ-CG1 4.19Å; I111-V115 HydrophobicContact CG2-CB 3.91Å; I111-V115 HydrophobicContact CG2-CG1 3.92Å; I111-Y116 HydrophobicContact CB-CD2 4.4Å; I111-Y116 HydrophobicContact CD1-CD2 4.31Å; I111-Y116 HydrophobicContact CG2-CD2 4.23Å
112P91.4Very high84.2Confident75 Ų75110.6 Ų110.649%0.48755%0.552SS.*PPolyproline II helixtrans-56.7142.6175.4-22.732.3000111.2E110 E114 V115 Y116E110-P112 WeakPolarHBondContact O-CD 3.29Å; P112-E114 PolarHBondContact O-N 3.11Å; P112-V115 HydrophobicContact CB-CG2 4.21Å; P112-V115 HydrophobicContact CG-CG2 4.26Å; P112-V115 WeakPolarHBondContact O-CB 3.26Å; P112-V115 PolarHBondContact O-N 2.94Å; P112-Y116 PolarHBondContact O-N 2.96Å
113D85.5Confident84.6Confident106 Ų106112.8 Ų112.857%0.56757%0.567SS**Hα-helixtrans-53.9-41.4-177.1-84.5-33.2000112.2V115 Y116 E117 R124D113-V115 VanDerWaalsContact C-N 3.27Å; D113-V115 PolarHBondContact O-N 3.35Å; D113-Y116 PolarHBondContact O-N 3.5Å; D113-E117 WeakPolarHBondContact O-CG 3.5Å; D113-E117 PolarHBondContact O-N 2.9Å; D113-R124 IonicContact OD1-NH2 3.21Å
114E86.8Confident84.8Confident142 Ų142111.2 Ų111.266%0.66455%0.554SS**Hα-helixtrans-60.3-34.4177.6-61.2-174.1-178.200113.7P112 K118P112-E114 PolarHBondContact O-N 3.11Å; E114-K118 WeakPolarHBondContact O-CD 3.42Å; E114-K118 WeakPolarHBondContact O-CG 3.43Å
115V87Confident84.9Confident74 Ų74108 Ų10845%0.44853%0.531SS..Hα-helixtrans-78.1-40.6178.2178.80000109.6I111 P112 D113 E117 K118I111-V115 HydrophobicContact CG2-CB 3.91Å; I111-V115 HydrophobicContact CG2-CG1 3.92Å; P112-V115 HydrophobicContact CB-CG2 4.21Å; P112-V115 HydrophobicContact CG-CG2 4.26Å; P112-V115 WeakPolarHBondContact O-CB 3.26Å; P112-V115 PolarHBondContact O-N 2.94Å; D113-V115 VanDerWaalsContact C-N 3.27Å; D113-V115 PolarHBondContact O-N 3.35Å; V115-E117 VanDerWaalsContact C-N 3.33Å; V115-E117 PolarHBondContact O-N 2.96Å; V115-K118 PolarHBondContact O-N 2.97Å
116Y83.1Confident85.2Confident73 Ų73106.8 Ų106.829%0.28653%0.526SS..Hα-helixtrans-64-37.4178.1-163.5-91.6000112I111 P112 D113 K118 R119 R124I111-Y116 HydrophobicContact CB-CD2 4.4Å; I111-Y116 HydrophobicContact CD1-CD2 4.31Å; I111-Y116 HydrophobicContact CG2-CD2 4.23Å; P112-Y116 PolarHBondContact O-N 2.96Å; D113-Y116 PolarHBondContact O-N 3.5Å; Y116-K118 VanDerWaalsContact C-N 3.3Å; Y116-K118 PolarHBondContact O-N 3.33Å; Y116-R119 WeakPolarHBondContact O-CB 3.32Å; Y116-R119 PolarHBondContact O-N 3.39Å; Y116-R124 HydrophobicContact CD1-CB 4.29Å; Y116-R124 HydrophobicContact CE1-CB 3.63Å; Y116-R124 HydrophobicContact CE1-CG 4.49Å
117E83.8Confident85.3Confident115 Ų115106 Ų10654%0.53752%0.518SS..Hα-helixtrans-66.6-29.3177.2-75.7-170.2166.400114D113 V115 R119 R124D113-E117 WeakPolarHBondContact O-CG 3.5Å; D113-E117 PolarHBondContact O-N 2.9Å; V115-E117 VanDerWaalsContact C-N 3.33Å; V115-E117 PolarHBondContact O-N 2.96Å; E117-R119 PolarHBondContact O-N 3.49Å; E117-R124 IonicContact OE1-NH1 3.67Å; E117-R124 PolarHBondContact OE1-NH1 3.02Å
118K87.6Confident85.2Confident158 Ų158103.5 Ų103.569%0.68750%0.504SS*.Hα-helixtrans-74.8-14.8176.2-68.2169-171.1171.20112.5E114 V115 Y116 T120E114-K118 WeakPolarHBondContact O-CD 3.42Å; E114-K118 WeakPolarHBondContact O-CG 3.43Å; V115-K118 PolarHBondContact O-N 2.97Å; Y116-K118 VanDerWaalsContact C-N 3.3Å; Y116-K118 PolarHBondContact O-N 3.33Å; K118-T120 PolarHBondContact O-N 3.36Å
119R86.3Confident85.1Confident106 Ų106105.3 Ų105.340%0.451%0.512SS..  trans-77.6114.1179.4-69.4-168.772.71664.8111.3Y116 E117 D121 S122 S125Y116-R119 WeakPolarHBondContact O-CB 3.32Å; Y116-R119 PolarHBondContact O-N 3.39Å; E117-R119 PolarHBondContact O-N 3.49Å; R119-D121 VanDerWaalsContact C-N 3.31Å; R119-D121 WeakPolarHBondContact CB-OD1 3.03Å; R119-D121 IonicContact CZ-OD1 2.85Å; R119-D121 IonicContact CZ-OD2 3.17Å; R119-D121 IonicContact NE-OD1 3Å; R119-D121 PolarHBondContact NE-OD1 3.49Å; R119-D121 VanDerWaalsContact NE-OD1 3.16Å; R119-D121 IonicContact NE-OD2 2.72Å; R119-D121 IonicContact NH2-OD1 2.98Å; R119-D121 IonicContact NH2-OD2 2.84Å; R119-D121 PolarHBondContact NH2-OD2 3.08Å; R119-S122 PolarHBondContact O-OG 2.79Å; R119-S122 VanDerWaalsContact O-OG 3.11Å; R119-S125 VanDerWaalsContact O-CB 3.32Å; R119-S125 WeakPolarHBondContact O-CB 3.36Å; R119-S125 PolarHBondContact O-OG 3.06Å
120T85.3Confident85.1Confident133 Ų133102.1 Ų102.182%0.81650%0.499SS*.THydrogen-bonded Turntrans-75.9-20.4178.3540000112.9K118 S125K118-T120 PolarHBondContact O-N 3.36Å; T120-S125 VanDerWaalsContact C-OG 3.28Å; T120-S125 PolarHBondContact O-OG 3.27Å
121D86.3Confident85Confident112 Ų112102.2 Ų102.260%0.59949%0.493SS*.THydrogen-bonded Turntrans-93.417.2-17966.3-37.1000114R119R119-D121 VanDerWaalsContact C-N 3.31Å; R119-D121 WeakPolarHBondContact CB-OD1 3.03Å; R119-D121 IonicContact CZ-OD1 2.85Å; R119-D121 IonicContact CZ-OD2 3.17Å; R119-D121 IonicContact NE-OD1 3Å; R119-D121 PolarHBondContact NE-OD1 3.49Å; R119-D121 VanDerWaalsContact NE-OD1 3.16Å; R119-D121 IonicContact NE-OD2 2.72Å; R119-D121 IonicContact NH2-OD1 2.98Å; R119-D121 IonicContact NH2-OD2 2.84Å; R119-D121 PolarHBondContact NH2-OD2 3.08Å
122S86.5Confident84.5Confident12 Ų12102.5 Ų102.58%0.08450%0.497CS..SBendtrans-96.1154.9-17870.20000113R119 R124 S125 F126R119-S122 PolarHBondContact O-OG 2.79Å; R119-S122 VanDerWaalsContact O-OG 3.11Å; S122-R124 PolarHBondContact O-N 3.35Å; S122-S125 PolarHBondContact N-OG 2.66Å; S122-S125 PolarHBondContact O-N 2.81Å; S122-S125 PolarHBondContact O-OG 3.1Å; S122-S125 WeakPolarHBondContact OG-CB 3.41Å; S122-S125 PolarHBondContact OG-N 3.4Å; S122-S125 PolarHBondContact OG-OG 2.67Å; S122-F126 PolarHBondContact O-N 3.11Å; S122-F126 VanDerWaalsContact O-N 3.08Å
123V82.4Confident83.9Confident103 Ų103101.6 Ų101.662%0.62450%0.501SS*.Hα-helixtrans-60.6-35.9171.8177.10000110.5F126 M127V123-F126 PolarHBondContact O-N 3.21Å; V123-M127 HydrophobicContact CG1-CG 4.27Å; V123-M127 HydrophobicContact CG1-SD 4.03Å; V123-M127 WeakPolarHBondContact O-CB 3.32Å; V123-M127 VanDerWaalsContact O-CG 3.26Å; V123-M127 WeakPolarHBondContact O-CG 3.46Å; V123-M127 PolarHBondContact O-N 3.23Å
124R81.4Confident83.2Confident73 Ų73105.2 Ų105.228%0.27551%0.507SS..Hα-helixtrans-64.5-44.5176.7-174.8-169-89.8-133.35.1111.9D113 Y116 E117 S122 F126 M127 K128 F135D113-R124 IonicContact OD1-NH2 3.21Å; Y116-R124 HydrophobicContact CD1-CB 4.29Å; Y116-R124 HydrophobicContact CE1-CB 3.63Å; Y116-R124 HydrophobicContact CE1-CG 4.49Å; E117-R124 IonicContact OE1-NH1 3.67Å; E117-R124 PolarHBondContact OE1-NH1 3.02Å; S122-R124 PolarHBondContact O-N 3.35Å; R124-F126 VanDerWaalsContact C-N 3.32Å; R124-F126 PolarHBondContact O-N 3.29Å; R124-M127 PolarHBondContact O-N 3.11Å; R124-K128 WeakPolarHBondContact O-CB 3.41Å; R124-K128 PolarHBondContact O-N 3.44Å; R124-F135 HydrophobicContact CG-CZ 4.01Å
125S84.4Confident82.5Confident32 Ų32100.7 Ų100.722%0.22449%0.485CS..Hα-helixtrans-64.1-39.417764.80000111.3R119 T120 S122 K128 K129R119-S125 VanDerWaalsContact O-CB 3.32Å; R119-S125 WeakPolarHBondContact O-CB 3.36Å; R119-S125 PolarHBondContact O-OG 3.06Å; T120-S125 VanDerWaalsContact C-OG 3.28Å; T120-S125 PolarHBondContact O-OG 3.27Å; S122-S125 PolarHBondContact N-OG 2.66Å; S122-S125 PolarHBondContact O-N 2.81Å; S122-S125 PolarHBondContact O-OG 3.1Å; S122-S125 WeakPolarHBondContact OG-CB 3.41Å; S122-S125 PolarHBondContact OG-N 3.4Å; S122-S125 PolarHBondContact OG-OG 2.67Å; S125-K128 PolarHBondContact O-N 3.41Å; S125-K129 VanDerWaalsContact O-CB 3.29Å; S125-K129 WeakPolarHBondContact O-CB 3.45Å; S125-K129 PolarHBondContact O-N 3.18Å
126F84.6Confident82.1Confident123 Ų12398.8 Ų98.854%0.53947%0.473SS..Hα-helixtrans-61-50173.6176.7-95000112S122 V123 R124 K128 K129 Q130S122-F126 PolarHBondContact O-N 3.11Å; S122-F126 VanDerWaalsContact O-N 3.08Å; V123-F126 PolarHBondContact O-N 3.21Å; R124-F126 VanDerWaalsContact C-N 3.32Å; R124-F126 PolarHBondContact O-N 3.29Å; F126-K128 VanDerWaalsContact C-N 3.33Å; F126-K128 PolarHBondContact O-N 3.33Å; F126-K129 PolarHBondContact O-N 2.87Å; F126-Q130 HydrophobicContact CD1-CG 4.48Å; F126-Q130 HydrophobicContact CD2-CG 4.13Å; F126-Q130 HydrophobicContact CE1-CG 4.13Å; F126-Q130 HydrophobicContact CE2-CG 3.76Å; F126-Q130 HydrophobicContact CG-CG 4.48Å; F126-Q130 HydrophobicContact CZ-CG 3.76Å; F126-Q130 WeakPolarHBondContact O-CB 3.36Å; F126-Q130 WeakPolarHBondContact O-CG 2.99Å; F126-Q130 PolarHBondContact O-N 3.16Å
127M84.2Confident81.8Confident67 Ų67103 Ų10333%0.3350%0.495SS..Hα-helixtrans-62.7-38.2179.6-70.6178.8111.200112.6V123 R124 R131 V132 F135V123-M127 HydrophobicContact CG1-CG 4.27Å; V123-M127 HydrophobicContact CG1-SD 4.03Å; V123-M127 WeakPolarHBondContact O-CB 3.32Å; V123-M127 VanDerWaalsContact O-CG 3.26Å; V123-M127 WeakPolarHBondContact O-CG 3.46Å; V123-M127 PolarHBondContact O-N 3.23Å; R124-M127 PolarHBondContact O-N 3.11Å; M127-R131 WeakPolarHBondContact O-CA 3.4Å; M127-R131 PolarHBondContact O-N 3.36Å; M127-V132 HydrophobicContact CE-CG1 4.47Å; M127-V132 PolarHBondContact O-N 2.8Å; M127-F135 HydrophobicContact CB-CD2 3.74Å; M127-F135 HydrophobicContact CB-CE2 3.89Å
128K83.2Confident81.6Confident140 Ų140104.4 Ų104.461%0.60950%0.501SS*.Hα-helixtrans-66-44.3174.6-170.3174.3-176.5174.60111.4R124 S125 F126 R131 F135R124-K128 WeakPolarHBondContact O-CB 3.41Å; R124-K128 PolarHBondContact O-N 3.44Å; S125-K128 PolarHBondContact O-N 3.41Å; F126-K128 VanDerWaalsContact C-N 3.33Å; F126-K128 PolarHBondContact O-N 3.33Å; K128-R131 PolarHBondContact O-N 3.37Å; K128-F135 HydrophobicContact CB-CD1 4.25Å; K128-F135 HydrophobicContact CB-CG 4.39Å; K128-F135 HydrophobicContact CG-CD1 4.32Å
129K83.3Confident81Confident174 Ų174100.7 Ų100.776%0.75749%0.487SS*.Hα-helixtrans-65.7-39.2179.2-171.5176.8-177.2179.20112.6S125 F126 R131S125-K129 VanDerWaalsContact O-CB 3.29Å; S125-K129 WeakPolarHBondContact O-CB 3.45Å; S125-K129 PolarHBondContact O-N 3.18Å; F126-K129 PolarHBondContact O-N 2.87Å; K129-R131 VanDerWaalsContact C-N 3.34Å
130Q85.1Confident80.6Confident108 Ų10898 Ų9851%0.50548%0.482SS..THydrogen-bonded Turntrans-88.50.2-179.3-64.9-63.4-2900113.3F126 V132F126-Q130 HydrophobicContact CD1-CG 4.48Å; F126-Q130 HydrophobicContact CD2-CG 4.13Å; F126-Q130 HydrophobicContact CE1-CG 4.13Å; F126-Q130 HydrophobicContact CE2-CG 3.76Å; F126-Q130 HydrophobicContact CG-CG 4.48Å; F126-Q130 HydrophobicContact CZ-CG 3.76Å; F126-Q130 WeakPolarHBondContact O-CB 3.36Å; F126-Q130 WeakPolarHBondContact O-CG 2.99Å; F126-Q130 PolarHBondContact O-N 3.16Å; Q130-V132 VanDerWaalsContact C-N 3.3Å; Q130-V132 HydrophobicContact CB-CG2 3.68Å; Q130-V132 PolarHBondContact O-N 3.36Å
131R80.3Confident80.5Confident161 Ų16194 Ų9461%0.60846%0.463SS*.THydrogen-bonded Turntrans48.252.5-176.1-60.4180179175.7-2.3111.6M127 K128 K129 N136M127-R131 WeakPolarHBondContact O-CA 3.4Å; M127-R131 PolarHBondContact O-N 3.36Å; K128-R131 PolarHBondContact O-N 3.37Å; K129-R131 VanDerWaalsContact C-N 3.34Å; R131-N136 HydrophobicContact CB-CB 4.13Å; R131-N136 WeakPolarHBondContact O-CB 3.36Å
132V76.9Confident80.5Confident66 Ų6694.9 Ų94.940%0.446%0.461SS..  trans-97.7134.6-178.8178.80000109.9M127 Q130 R134 F135M127-V132 HydrophobicContact CE-CG1 4.47Å; M127-V132 PolarHBondContact O-N 2.8Å; Q130-V132 VanDerWaalsContact C-N 3.3Å; Q130-V132 HydrophobicContact CB-CG2 3.68Å; Q130-V132 PolarHBondContact O-N 3.36Å; V132-R134 PolarHBondContact O-N 3.26Å; V132-F135 PolarHBondContact O-N 3.46Å
133G78.1Confident80.3Confident55 Ų55100.5 Ų100.557%0.56748%0.484SS*.G310 helixtrans62.6-124.3175.900000112.2F135 N136G133-F135 PolarHBondContact O-N 2.88Å; G133-F135 VanDerWaalsContact O-N 3.09Å; G133-N136 PolarHBondContact O-N 2.98Å
134R70.1Confident80.5Confident182 Ų182102 Ų10269%0.68748%0.484SS*.G310 helixtrans-64.5-10.3-176.869.2-177.7178.3-156.7-0.8115.5V132V132-R134 PolarHBondContact O-N 3.26Å
135F72.8Confident80.7Confident47 Ų47101.4 Ų101.421%0.20650%0.495CS..G310 helixtrans-96.91.7-179.4-61.3-75.8000113.3R124 M127 K128 V132 G133 E137R124-F135 HydrophobicContact CG-CZ 4.01Å; M127-F135 HydrophobicContact CB-CD2 3.74Å; M127-F135 HydrophobicContact CB-CE2 3.89Å; K128-F135 HydrophobicContact CB-CD1 4.25Å; K128-F135 HydrophobicContact CB-CG 4.39Å; K128-F135 HydrophobicContact CG-CD1 4.32Å; V132-F135 PolarHBondContact O-N 3.46Å; G133-F135 PolarHBondContact O-N 2.88Å; G133-F135 VanDerWaalsContact O-N 3.09Å; F135-E137 PolarHBondContact O-N 3.18Å
136N79.4Confident80.9Confident35 Ų35106 Ų10619%0.18751%0.513CS..  trans-91.783.9169.6-164.2-9.6000109.9R131 G133 E138 E139 T140R131-N136 HydrophobicContact CB-CB 4.13Å; R131-N136 WeakPolarHBondContact O-CB 3.36Å; G133-N136 PolarHBondContact O-N 2.98Å; N136-E138 PolarHBondContact O-N 3.29Å; N136-E138 VanDerWaalsContact O-N 3.17Å; N136-E139 HydrophobicContact CB-CB 3.99Å; N136-E139 HydrophobicContact CB-CG 4.41Å; N136-E139 WeakPolarHBondContact ND2-CG 3.4Å; N136-E139 PolarHBondContact O-N 3.17Å; N136-E139 VanDerWaalsContact O-N 3.13Å; N136-E139 PolarHBondContact OD1-N 3.08Å; N136-T140 PolarHBondContact O-N 3.18Å; N136-T140 PolarHBondContact O-OG1 3.1Å
137E76.2Confident81Confident161 Ų161103.6 Ų103.675%0.75251%0.505SS*.Hα-helixtrans-54.5-33.4-178.4-67.6173.517800112.5F135 T140 A141F135-E137 PolarHBondContact O-N 3.18Å; E137-T140 VanDerWaalsContact CA-OG1 3.27Å; E137-T140 WeakPolarHBondContact CA-OG1 3.14Å; E137-T140 PolarHBondContact O-OG1 2.67Å; E137-A141 WeakPolarHBondContact O-CB 3.24Å; E137-A141 PolarHBondContact O-N 3.28Å
138E78.6Confident81.1Confident144 Ų144103 Ų10367%0.67351%0.511SS*.Hα-helixtrans-70.5-45178.9-171.1179.3168.400111.9N136 K142N136-E138 PolarHBondContact O-N 3.29Å; N136-E138 VanDerWaalsContact O-N 3.17Å; E138-K142 WeakPolarHBondContact O-CB 3.41Å; E138-K142 PolarHBondContact O-N 2.92Å
139E76.2Confident81.3Confident81 Ų8199.1 Ų99.138%0.37951%0.505SS..Hα-helixtrans-70-36.2176.4-80.7-74.8127.700112.1N136 K143N136-E139 HydrophobicContact CB-CB 3.99Å; N136-E139 HydrophobicContact CB-CG 4.41Å; N136-E139 WeakPolarHBondContact ND2-CG 3.4Å; N136-E139 PolarHBondContact O-N 3.17Å; N136-E139 VanDerWaalsContact O-N 3.13Å; N136-E139 PolarHBondContact OD1-N 3.08Å; E139-K143 WeakPolarHBondContact O-CB 3.42Å; E139-K143 VanDerWaalsContact O-CG 3.24Å; E139-K143 WeakPolarHBondContact O-CG 3.45Å; E139-K143 PolarHBondContact O-N 3.05Å
140T77.8Confident81.5Confident48 Ų4897.2 Ų97.229%0.29449%0.493SS..Hα-helixtrans-67.9-47.1175.152.90000110.8N136 E137 K142 K143 E144N136-T140 PolarHBondContact O-N 3.18Å; N136-T140 PolarHBondContact O-OG1 3.1Å; E137-T140 VanDerWaalsContact CA-OG1 3.27Å; E137-T140 WeakPolarHBondContact CA-OG1 3.14Å; E137-T140 PolarHBondContact O-OG1 2.67Å; T140-K142 VanDerWaalsContact C-N 3.31Å; T140-K142 PolarHBondContact O-N 3.43Å; T140-K143 PolarHBondContact O-N 3.22Å; T140-E144 WeakPolarHBondContact O-CB 3.43Å; T140-E144 WeakPolarHBondContact O-CG 3.43Å; T140-E144 PolarHBondContact O-N 3.44Å
141A83.7Confident81.5Confident51 Ų5197 Ų9742%0.42149%0.492SS..Hα-helixtrans-62.8-38.8177.200000111.7E137 E144 A145E137-A141 WeakPolarHBondContact O-CB 3.24Å; E137-A141 PolarHBondContact O-N 3.28Å; A141-E144 PolarHBondContact O-N 3.01Å; A141-A145 WeakPolarHBondContact O-CB 3.34Å; A141-A145 PolarHBondContact O-N 2.82Å
142K85.3Confident81.8Confident129 Ų12991.9 Ų91.956%0.56149%0.485SS*.Hα-helixtrans-64.2-43.9174.9-174.3-179.2176.7-173.30112E138 T140 A145 E146E138-K142 WeakPolarHBondContact O-CB 3.41Å; E138-K142 PolarHBondContact O-N 2.92Å; T140-K142 VanDerWaalsContact C-N 3.31Å; T140-K142 PolarHBondContact O-N 3.43Å; K142-A145 PolarHBondContact O-N 3.36Å; K142-E146 VanDerWaalsContact O-CB 3.3Å; K142-E146 WeakPolarHBondContact O-CB 3.48Å; K142-E146 PolarHBondContact O-N 3.04Å
143K83.4Confident82.4Confident130 Ų13094.2 Ų94.257%0.56549%0.491SS*.Hα-helixtrans-67.1-38.9176.8-75.8174.8-175.4178.90112.6E139 T140 E146 L147E139-K143 WeakPolarHBondContact O-CB 3.42Å; E139-K143 VanDerWaalsContact O-CG 3.24Å; E139-K143 WeakPolarHBondContact O-CG 3.45Å; E139-K143 PolarHBondContact O-N 3.05Å; T140-K143 PolarHBondContact O-N 3.22Å; K143-E146 PolarHBondContact O-N 3.13Å; K143-L147 VanDerWaalsContact O-CB 3.28Å; K143-L147 WeakPolarHBondContact O-CB 3.24Å; K143-L147 PolarHBondContact O-N 3.18Å
144E85.3Confident82.8Confident134 Ų13492.5 Ų92.563%0.62647%0.468SS*.Hα-helixtrans-66.1-43.1174.7-74.6174.8167.200111T140 A141 L147 A148T140-E144 WeakPolarHBondContact O-CB 3.43Å; T140-E144 WeakPolarHBondContact O-CG 3.43Å; T140-E144 PolarHBondContact O-N 3.44Å; A141-E144 PolarHBondContact O-N 3.01Å; E144-L147 PolarHBondContact O-N 2.81Å; E144-A148 VanDerWaalsContact O-CB 3.23Å; E144-A148 WeakPolarHBondContact O-CB 3.35Å; E144-A148 PolarHBondContact O-N 2.84Å
145A86.9Confident83.6Confident61 Ų6189.3 Ų89.350%0.50446%0.461SS..Hα-helixtrans-64.6-4117500000112.1A141 K142 A149A141-A145 WeakPolarHBondContact O-CB 3.34Å; A141-A145 PolarHBondContact O-N 2.82Å; K142-A145 PolarHBondContact O-N 3.36Å; A145-A149 VanDerWaalsContact O-CB 3.23Å; A145-A149 WeakPolarHBondContact O-CB 3.49Å; A145-A149 PolarHBondContact O-N 2.84Å
146E88.1Confident84.3Confident129 Ų12990 Ų9060%0.60348%0.476SS*.Hα-helixtrans-65.5-43.1175.6-174.7-175.5154.600111.7K142 K143 A149 R150K142-E146 VanDerWaalsContact O-CB 3.3Å; K142-E146 WeakPolarHBondContact O-CB 3.48Å; K142-E146 PolarHBondContact O-N 3.04Å; K143-E146 PolarHBondContact O-N 3.13Å; E146-A149 PolarHBondContact O-N 2.84Å; E146-R150 WeakPolarHBondContact O-CB 3.36Å; E146-R150 PolarHBondContact O-N 2.93Å
147L85.8Confident84.8Confident72 Ų7289.5 Ų89.538%0.37748%0.476SS..Hα-helixtrans-63.4-47.2175.6-179.464.1000111K143 E144 A149 R150 E151K143-L147 VanDerWaalsContact O-CB 3.28Å; K143-L147 WeakPolarHBondContact O-CB 3.24Å; K143-L147 PolarHBondContact O-N 3.18Å; E144-L147 PolarHBondContact O-N 2.81Å; L147-A149 VanDerWaalsContact C-N 3.33Å; L147-A149 PolarHBondContact O-N 2.87Å; L147-R150 PolarHBondContact O-N 2.97Å; L147-E151 HydrophobicContact CD1-CG 4.35Å; L147-E151 HydrophobicContact CG-CG 4.49Å; L147-E151 WeakPolarHBondContact O-CB 3.47Å; L147-E151 WeakPolarHBondContact O-CG 3.26Å; L147-E151 PolarHBondContact O-N 2.9Å
148A86.8Confident85.4Confident54 Ų5482 Ų8245%0.44644%0.442SS..Hα-helixtrans-63-39.6177.900000111.8E144 E151 A152E144-A148 VanDerWaalsContact O-CB 3.23Å; E144-A148 WeakPolarHBondContact O-CB 3.35Å; E144-A148 PolarHBondContact O-N 2.84Å; A148-E151 PolarHBondContact O-N 3.44Å; A148-A152 VanDerWaalsContact O-CB 3.3Å; A148-A152 WeakPolarHBondContact O-CB 3.48Å; A148-A152 PolarHBondContact O-N 3.1Å
149A87.8Confident85.8Confident59 Ų5979.3 Ų79.349%0.48845%0.445SS..Hα-helixtrans-63.1-44.1174.300000111.5A145 E146 L147 A152 E153A145-A149 VanDerWaalsContact O-CB 3.23Å; A145-A149 WeakPolarHBondContact O-CB 3.49Å; A145-A149 PolarHBondContact O-N 2.84Å; E146-A149 PolarHBondContact O-N 2.84Å; L147-A149 VanDerWaalsContact C-N 3.33Å; L147-A149 PolarHBondContact O-N 2.87Å; A149-A152 PolarHBondContact O-N 2.8Å; A149-E153 WeakPolarHBondContact O-CB 3.16Å; A149-E153 PolarHBondContact O-N 3.42Å
150R87.3Confident86.5Confident135 Ų13579.2 Ų79.251%0.50946%0.458SS..Hα-helixtrans-66.1-40.4176.9-172.4179.867.8-175.9-0.6112.3E146 L147 E153 E154E146-R150 WeakPolarHBondContact O-CB 3.36Å; E146-R150 PolarHBondContact O-N 2.93Å; L147-R150 PolarHBondContact O-N 2.97Å; R150-E153 PolarHBondContact O-N 2.77Å; R150-E154 WeakPolarHBondContact O-CB 3.49Å; R150-E154 WeakPolarHBondContact O-CG 3.27Å; R150-E154 PolarHBondContact O-N 3.16Å
151E85.7Confident87.2Confident102 Ų10277.7 Ų77.748%0.47745%0.447SS..Hα-helixtrans-65.4-41.3176.6-74.7178.4166.300111.4L147 A148 E154 E155L147-E151 HydrophobicContact CD1-CG 4.35Å; L147-E151 HydrophobicContact CG-CG 4.49Å; L147-E151 WeakPolarHBondContact O-CB 3.47Å; L147-E151 WeakPolarHBondContact O-CG 3.26Å; L147-E151 PolarHBondContact O-N 2.9Å; A148-E151 PolarHBondContact O-N 3.44Å; E151-E154 PolarHBondContact O-N 3.31Å; E151-E155 WeakPolarHBondContact O-CB 3.5Å; E151-E155 PolarHBondContact O-N 3.16Å
152A86.8Confident87.5Confident55 Ų5576.6 Ų76.646%0.45544%0.441SS..Hα-helixtrans-65-38.317400000112.2A148 A149 E155 A156A148-A152 VanDerWaalsContact O-CB 3.3Å; A148-A152 WeakPolarHBondContact O-CB 3.48Å; A148-A152 PolarHBondContact O-N 3.1Å; A149-A152 PolarHBondContact O-N 2.8Å; A152-E155 PolarHBondContact O-N 2.94Å; A152-A156 VanDerWaalsContact O-CB 3.29Å; A152-A156 WeakPolarHBondContact O-CB 3.4Å; A152-A156 PolarHBondContact O-N 3.32Å
153E88.4Confident88Confident114 Ų11474.8 Ų74.853%0.53344%0.441SS..Hα-helixtrans-65.5-43.9173.8-165.2-169.9171.600111.5A149 R150 E155 A156 A157 L229A149-E153 WeakPolarHBondContact O-CB 3.16Å; A149-E153 PolarHBondContact O-N 3.42Å; R150-E153 PolarHBondContact O-N 2.77Å; E153-E155 VanDerWaalsContact C-N 3.35Å; E153-E155 PolarHBondContact O-N 2.86Å; E153-A156 PolarHBondContact O-N 2.76Å; E153-A157 VanDerWaalsContact O-CB 3.28Å; E153-A157 WeakPolarHBondContact O-CB 3.37Å; E153-A157 PolarHBondContact O-N 2.99Å; E153-L229 HydrophobicContact CG-CD2 4.04Å
154E87.4Confident88.4Confident20 Ų2071 Ų719%0.09344%0.438CS..Hα-helixtrans-62.8-39.2174.8-76.5-169.1169.500112.1R150 E151 A158 R227 L229R150-E154 WeakPolarHBondContact O-CB 3.49Å; R150-E154 WeakPolarHBondContact O-CG 3.27Å; R150-E154 PolarHBondContact O-N 3.16Å; E151-E154 PolarHBondContact O-N 3.31Å; E154-A158 VanDerWaalsContact O-CB 3.31Å; E154-A158 WeakPolarHBondContact O-CB 3.39Å; E154-A158 PolarHBondContact O-N 3.43Å; E154-R227 IonicContact OE1-NE 3.36Å; E154-R227 IonicContact OE1-NH1 3.76Å; E154-R227 IonicContact OE2-CZ 3.64Å; E154-R227 IonicContact OE2-NH1 3.16Å; E154-R227 PolarHBondContact OE2-NH1 2.8Å; E154-L229 HydrophobicContact CG-CD1 3.97Å; E154-L229 HydrophobicContact CG-CG 4.29Å
155E85.9Confident88.7Confident114 Ų11467.9 Ų67.953%0.53343%0.426SS..Hα-helixtrans-68.7-43.7176.6-175.1174.5-178.900111.8E151 A152 E153 A157 A158 A159E151-E155 WeakPolarHBondContact O-CB 3.5Å; E151-E155 PolarHBondContact O-N 3.16Å; A152-E155 PolarHBondContact O-N 2.94Å; E153-E155 VanDerWaalsContact C-N 3.35Å; E153-E155 PolarHBondContact O-N 2.86Å; E155-A157 VanDerWaalsContact C-N 3.35Å; E155-A157 PolarHBondContact O-N 3.13Å; E155-A158 PolarHBondContact O-N 3.47Å; E155-A159 WeakPolarHBondContact O-CB 3.38Å; E155-A159 PolarHBondContact O-N 2.71Å
156A88Confident89.1Confident62 Ų6267.7 Ų67.751%0.51241%0.412SS..Hα-helixtrans-62.7-42.117500000111.6A152 E153 A159 A160A152-A156 VanDerWaalsContact O-CB 3.29Å; A152-A156 WeakPolarHBondContact O-CB 3.4Å; A152-A156 PolarHBondContact O-N 3.32Å; E153-A156 PolarHBondContact O-N 2.76Å; A156-A159 PolarHBondContact O-N 3.03Å; A156-A160 PolarHBondContact O-N 2.87Å; A156-A160 VanDerWaalsContact O-N 3.08Å
157A89.1Confident89.3Confident24 Ų2461.5 Ų61.520%0.19838%0.383CS..Hα-helixtrans-64.3-41.7174.200000111.6E153 E155 A160 I161 P228 L229E153-A157 VanDerWaalsContact O-CB 3.28Å; E153-A157 WeakPolarHBondContact O-CB 3.37Å; E153-A157 PolarHBondContact O-N 2.99Å; E155-A157 VanDerWaalsContact C-N 3.35Å; E155-A157 PolarHBondContact O-N 3.13Å; A157-A160 PolarHBondContact O-N 3.49Å; A157-I161 WeakPolarHBondContact O-CD1 3.4Å; A157-I161 VanDerWaalsContact O-CG1 3.26Å; A157-I161 WeakPolarHBondContact O-CG1 3.43Å; A157-I161 PolarHBondContact O-N 3.04Å; A157-P228 HydrophobicContact CB-CB 3.74Å; A157-L229 HydrophobicContact CB-CD2 3.97Å
158A88.8Confident89.7Confident5 Ų560.7 Ų60.74%0.04138%0.377CS..Hα-helixtrans-62.5-42.6174.800000111.6E154 E155 A160 I161 V184 H193 P228E154-A158 VanDerWaalsContact O-CB 3.31Å; E154-A158 WeakPolarHBondContact O-CB 3.39Å; E154-A158 PolarHBondContact O-N 3.43Å; E155-A158 PolarHBondContact O-N 3.47Å; A158-A160 VanDerWaalsContact C-N 3.27Å; A158-A160 PolarHBondContact O-N 2.78Å; A158-I161 PolarHBondContact O-N 3.09Å; A158-I161 VanDerWaalsContact O-N 3.07Å; A158-V184 HydrophobicContact CB-CG1 3.92Å; A158-V184 WeakPolarHBondContact O-CG1 3.47Å; A158-H193 HydrophobicContact CB-CB 3.98Å; A158-P228 HydrophobicContact CB-CB 4.2Å; A158-P228 HydrophobicContact CB-CG 3.84Å
159A88.7Confident90Very high87 Ų8758.3 Ų58.372%0.71936%0.357SS*.Hα-helixtrans-65.3-28178.400000113.3E155 A156 I161E155-A159 WeakPolarHBondContact O-CB 3.38Å; E155-A159 PolarHBondContact O-N 2.71Å; A156-A159 PolarHBondContact O-N 3.03Å; A159-I161 VanDerWaalsContact C-N 3.3Å
160A90Very high90.2Very high79 Ų7961.5 Ų61.565%0.65336%0.362SS*.Hα-helixtrans-75.4-18.3174.400000113.2A156 A157 A158A156-A160 PolarHBondContact O-N 2.87Å; A156-A160 VanDerWaalsContact O-N 3.08Å; A157-A160 PolarHBondContact O-N 3.49Å; A158-A160 VanDerWaalsContact C-N 3.27Å; A158-A160 PolarHBondContact O-N 2.78Å
161I92.5Very high90.3Very high16 Ų1657.4 Ų57.48%0.08235%0.352CS..  trans-93.8110.4-177-63.4166.9000109.4A157 A158 A159 V181 V184 V195 P228 V231 V233A157-I161 WeakPolarHBondContact O-CD1 3.4Å; A157-I161 VanDerWaalsContact O-CG1 3.26Å; A157-I161 WeakPolarHBondContact O-CG1 3.43Å; A157-I161 PolarHBondContact O-N 3.04Å; A158-I161 PolarHBondContact O-N 3.09Å; A158-I161 VanDerWaalsContact O-N 3.07Å; A159-I161 VanDerWaalsContact C-N 3.3Å; I161-V181 HydrophobicContact CG2-CB 4.39Å; I161-V181 HydrophobicContact CG2-CG1 3.88Å; I161-V181 HydrophobicContact CG2-CG2 3.77Å; I161-V184 HydrophobicContact CB-CG2 4.36Å; I161-V184 HydrophobicContact CG2-CG2 3.83Å; I161-V195 HydrophobicContact CD1-CG2 3.84Å; I161-V195 HydrophobicContact CG2-CG1 4.22Å; I161-P228 HydrophobicContact CD1-CB 4.19Å; I161-V231 HydrophobicContact CD1-CB 3.9Å; I161-V231 HydrophobicContact CD1-CG1 4.17Å; I161-V233 HydrophobicContact CB-CG2 4.2Å; I161-V233 HydrophobicContact CG1-CG2 3.87Å; I161-V233 HydrophobicContact CG2-CG2 3.85Å
162G90.5Very high90.4Very high28 Ų2859.8 Ų59.829%0.28937%0.373SS..  trans-83138.4172.800000112.9N165G162-N165 WeakPolarHBondContact O-CB 3.45Å; G162-N165 PolarHBondContact O-N 3.08Å
163V94.3Very high90.3Very high91 Ų9160.8 Ų60.855%0.55239%0.389SS*.THydrogen-bonded Turntrans-64.2137168.9179.10000109.6V184V163-V184 HydrophobicContact CG2-CB 4.44Å; V163-V184 HydrophobicContact CG2-CG2 4.07Å
164G92.3Very high90.2Very high49 Ų4959.9 Ų59.951%0.50539%0.387SS..THydrogen-bonded Turntrans92.1-10.6-176.200000114.2V181G164-V181 PolarHBondContact N-O 2.76Å
165N92.1Very high90.2Very high70 Ų7063.3 Ų63.337%0.37441%0.411SS..  trans-75.6147.6179.5-67.7-12.5000111.9G162 V181 V233G162-N165 WeakPolarHBondContact O-CB 3.45Å; G162-N165 PolarHBondContact O-N 3.08Å; N165-V181 PolarHBondContact O-N 3.34Å; N165-V233 HydrophobicContact CB-CG1 3.58Å
166R94.3Very high90.4Very high56 Ų5660.9 Ų60.921%0.21140%0.404CS..EExtended strand (participates in β ladder)trans-69.4137.2167.6-67.1-62.8-65.1175.7-11.7109.8T180 D200 G234 F236R166-T180 PolarHBondContact NH1-OG1 3.27Å; R166-D200 IonicContact CZ-OD1 3.82Å; R166-D200 IonicContact CZ-OD2 3.33Å; R166-D200 IonicContact NH1-OD1 3.67Å; R166-D200 PolarHBondContact NH1-OD1 2.78Å; R166-D200 IonicContact NH1-OD2 2.87Å; R166-D200 PolarHBondContact NH1-OD2 2.93Å; R166-D200 IonicContact NH2-OD1 3.85Å; R166-D200 IonicContact NH2-OD2 3.75Å; R166-D200 PolarHBondContact NH2-OD2 3.41Å; R166-G234 WeakPolarHBondContact CB-O 3.13Å; R166-G234 PolarHBondContact O-N 2.85Å; R166-G234 VanDerWaalsContact O-N 3.11Å; R166-F236 VanDerWaalsContact CZ-O 3.3Å; R166-F236 PolarHBondContact NE-O 2.66Å; R166-F236 PolarHBondContact NH2-O 3.37Å
167C93.2Very high90.5Very high0 Ų059.6 Ų59.60%039%0.387CS..EExtended strand (participates in β ladder)trans-145.3152.9-174.669.60000112G179 V181 V231 T232 V233C167-G179 PolarHBondContact N-O 3.26Å; C167-G179 PolarHBondContact O-N 3.03Å; C167-G179 VanDerWaalsContact O-O 3.07Å; C167-G179 PolarHBondContact SG-O 2.75Å; C167-G179 VanDerWaalsContact SG-O 3.33Å; C167-V181 HydrophobicContact CB-CG2 3.76Å; C167-V181 VanDerWaalsContact SG-CG2 3.58Å; C167-V231 HydrophobicContact CB-CG1 3.67Å; C167-T232 CarbonylContact C-O 3.47Å; C167-T232 VanDerWaalsContact CA-O 3.25Å; C167-T232 WeakPolarHBondContact CA-O 3.12Å; C167-V233 HydrophobicContact CB-CG2 4.37Å
168Q93.7Very high90.8Very high55 Ų5560 Ų6026%0.25739%0.386SS..EExtended strand (participates in β ladder)trans-113.9129.6172-174.4176.263.800108.2T176 K177 T232 F236Q168-T176 HydrophobicContact CG-CG2 3.14Å; Q168-K177 CarbonylContact C-O 3.6Å; Q168-K177 WeakPolarHBondContact CA-O 3.43Å; Q168-T232 PolarHBondContact N-O 2.84Å; Q168-T232 PolarHBondContact O-N 3.05Å; Q168-F236 HydrophobicContact CB-CD1 4.04Å; Q168-F236 HydrophobicContact CB-CD2 3.93Å; Q168-F236 HydrophobicContact CB-CE1 3.81Å; Q168-F236 HydrophobicContact CB-CE2 3.7Å; Q168-F236 HydrophobicContact CB-CG 4.09Å; Q168-F236 HydrophobicContact CB-CZ 3.64Å; Q168-F236 HydrophobicContact CG-CE1 4.35Å
169V93.5Very high91Very high3 Ų359.8 Ų59.82%0.01838%0.384CS..EExtended strand (participates in β ladder)trans-105.8118.3179.6-179.10000109V171 K177 V197 Y199 V226 T230 V231V169-V171 HydrophobicContact CG1-CG2 4.06Å; V169-K177 PolarHBondContact N-O 2.98Å; V169-K177 PolarHBondContact O-N 3.2Å; V169-V197 HydrophobicContact CG2-CB 4.35Å; V169-V197 HydrophobicContact CG2-CG1 4.14Å; V169-V197 HydrophobicContact CG2-CG2 3.92Å; V169-Y199 HydrophobicContact CB-CE1 4.02Å; V169-Y199 HydrophobicContact CG2-CE1 3.77Å; V169-V226 HydrophobicContact CG1-CB 4.31Å; V169-V226 HydrophobicContact CG1-CG1 3.89Å; V169-V226 HydrophobicContact CG1-CG2 4.1Å; V169-V226 HydrophobicContact CG2-CG2 4.33Å; V169-T230 WeakPolarHBondContact CA-O 3.49Å; V169-V231 HydrophobicContact CG2-CG2 4.35Å
170Q92.4Very high91.3Very high126 Ų12657.2 Ų57.259%0.58936%0.359SS*.  trans-117.1107.1178.1-166.5173.336.800110.1T230Q170-T230 PolarHBondContact N-O 3.07Å; Q170-T230 WeakPolarHBondContact O-CB 3.46Å
171V89.6Confident91.6Very high50 Ų5053.5 Ų53.530%0.30333%0.328SS..  trans-109.4131.8175.5-179.90000108.5V169 G173 L174V169-V171 HydrophobicContact CG1-CG2 4.06Å; V171-G173 PolarHBondContact O-N 2.94Å; V171-G173 VanDerWaalsContact O-N 3.16Å; V171-L174 HydrophobicContact CB-CB 4.35Å; V171-L174 HydrophobicContact CB-CD1 4.22Å; V171-L174 HydrophobicContact CG1-CD1 4.14Å; V171-L174 PolarHBondContact O-N 3.26Å
172V87.6Confident91.7Very high151 Ų15156 Ų5692%0.91534%0.341SS*.THydrogen-bonded Turntrans-54.9122.2179.3-177.90000110.2
173G84.9Confident91.9Very high77 Ų7757.4 Ų57.479%0.79434%0.337SS*.THydrogen-bonded Turntrans86.73.6179.100000115.8V171V171-G173 PolarHBondContact O-N 2.94Å; V171-G173 VanDerWaalsContact O-N 3.16Å
174L85.2Confident91.9Very high95 Ų9555 Ų5550%0.49732%0.323SS..SBendtrans-120154.2173.1-68176.8000110.7V171V171-L174 HydrophobicContact CB-CB 4.35Å; V171-L174 HydrophobicContact CB-CD1 4.22Å; V171-L174 HydrophobicContact CG1-CD1 4.14Å; V171-L174 PolarHBondContact O-N 3.26Å
175P86.8Confident91.9Very high91 Ų9153.3 Ų53.359%0.59131%0.306SS*.  trans-61.8149.3171.127.7-34.7000110.1
176T90.3Very high91.9Very high64 Ų6454.1 Ų54.139%0.39331%0.313SS..  trans-64.1134.6174.5-52.60000109.8Q168Q168-T176 HydrophobicContact CG-CG2 3.14Å
177K91.9Very high91.8Very high34 Ų3452.1 Ų52.115%0.14831%0.307CS..EExtended strand (participates in β ladder)trans-122.1136.8-177.7-59.6177.9-177.6-179.30110Q168 V169 Y199 L203Q168-K177 CarbonylContact C-O 3.6Å; Q168-K177 WeakPolarHBondContact CA-O 3.43Å; V169-K177 PolarHBondContact N-O 2.98Å; V169-K177 PolarHBondContact O-N 3.2Å; K177-Y199 HydrophobicContact CB-CD1 3.68Å; K177-Y199 HydrophobicContact CB-CE1 3.45Å; K177-Y199 VanDerWaalsContact CB-CE1 3.45Å; K177-Y199 HydrophobicContact CB-CG 4.47Å; K177-Y199 HydrophobicContact CD-CD1 4.4Å; K177-Y199 HydrophobicContact CD-CD2 4.38Å; K177-Y199 HydrophobicContact CD-CE1 3.97Å; K177-Y199 HydrophobicContact CD-CE2 3.88Å; K177-Y199 HydrophobicContact CG-CE1 4.36Å; K177-L203 HydrophobicContact CD-CB 3.78Å; K177-L203 HydrophobicContact CD-CD1 4.15Å; K177-L203 HydrophobicContact CG-CB 4.44Å; K177-L203 HydrophobicContact CG-CD1 3.93Å; K177-L203 PolarHBondContact NZ-O 3.15Å
178I93.5Very high91.7Very high34 Ų3457.5 Ų57.517%0.17434%0.336CS..EExtended strand (participates in β ladder)trans-102.6145.1177.8-53.5176.2000108.8Y199 D200 F236 E239I178-Y199 WeakPolarHBondContact O-CA 3.39Å; I178-D200 PolarHBondContact O-N 3.06Å; I178-F236 HydrophobicContact CG2-CB 3.73Å; I178-E239 HydrophobicContact CD1-CG 4.44Å
179G93.5Very high91.5Very high0 Ų056.9 Ų56.90%033%0.333CS..EExtended strand (participates in β ladder)trans-173.2-167.8176.100000113.1C167 K198C167-G179 PolarHBondContact N-O 3.26Å; C167-G179 PolarHBondContact O-N 3.03Å; C167-G179 VanDerWaalsContact O-O 3.07Å; C167-G179 PolarHBondContact SG-O 2.75Å; C167-G179 VanDerWaalsContact SG-O 3.33Å; G179-K198 CarbonylContact C-O 3.09Å; G179-K198 WeakPolarHBondContact CA-O 3.43Å
180T94.9Very high91.3Very high33 Ų3362.5 Ų62.520%0.20236%0.357CS..EExtended strand (participates in β ladder)trans-116.3134.4-179.7-53.90000109.9R166 M182 V197 K198R166-T180 PolarHBondContact NH1-OG1 3.27Å; T180-M182 HydrophobicContact CG2-SD 4.44Å; T180-M182 PolarHBondContact O-N 2.94Å; T180-V197 WeakPolarHBondContact O-CA 3.3Å; T180-K198 PolarHBondContact N-O 3.34Å; T180-K198 PolarHBondContact O-N 3.44Å
181V95.9Very high91.2Very high0 Ų061.9 Ų61.90%036%0.364CS..EExtended strand (participates in β ladder)trans-69.7122.8175.4-179.30000109.4I161 G164 N165 C167 V184 V195I161-V181 HydrophobicContact CG2-CB 4.39Å; I161-V181 HydrophobicContact CG2-CG1 3.88Å; I161-V181 HydrophobicContact CG2-CG2 3.77Å; G164-V181 PolarHBondContact N-O 2.76Å; N165-V181 PolarHBondContact O-N 3.34Å; C167-V181 HydrophobicContact CB-CG2 3.76Å; C167-V181 VanDerWaalsContact SG-CG2 3.58Å; V181-V184 HydrophobicContact CG1-CG2 3.6Å; V181-V195 HydrophobicContact CG1-CG1 3.8Å; V181-V195 HydrophobicContact CG2-CG1 4.26Å
182M94.9Very high91.2Very high69 Ų6960.7 Ų60.734%0.3436%0.362SS..EExtended strand (participates in β ladder)trans-111.6-20.2179.4-63.1-60.3-69.300113.2T180 G196 K198 F216T180-M182 HydrophobicContact CG2-SD 4.44Å; T180-M182 PolarHBondContact O-N 2.94Å; M182-G196 PolarHBondContact N-O 2.88Å; M182-K198 HydrophobicContact CG-CB 3.56Å; M182-K198 HydrophobicContact SD-CB 4.41Å; M182-F216 HydrophobicContact CB-CB 3.66Å; M182-F216 HydrophobicContact CB-CD1 4.25Å; M182-F216 HydrophobicContact CB-CD2 3.59Å; M182-F216 HydrophobicContact CB-CE2 4.22Å; M182-F216 HydrophobicContact CB-CG 3.59Å; M182-F216 HydrophobicContact CG-CD2 3.94Å; M182-F216 HydrophobicContact CG-CE2 4.41Å; M182-F216 HydrophobicContact CG-CG 4.43Å
183Y94.8Very high91.4Very high57 Ų5755.7 Ų55.722%0.22433%0.328CS..EExtended strand (participates in β ladder)trans-150.7140.9-178.4-175.9-90000110.9T186 V187 V195 G196 Y215 F225Y183-T186 PolarHBondContact OH-O 3.43Å; Y183-V187 HydrophobicContact CE1-CG1 4.08Å; Y183-V195 CarbonylContact O-C 3.49Å; Y183-V195 WeakPolarHBondContact O-CA 3.4Å; Y183-G196 PolarHBondContact N-O 3.38Å; Y183-G196 VanDerWaalsContact N-O 3.1Å; Y183-G196 PolarHBondContact O-N 3.24Å; Y183-Y215 HydrophobicContact CD2-CD1 4.45Å; Y183-Y215 HydrophobicContact CE1-CD1 4.16Å; Y183-Y215 AromaticContact CE2-CD1 3.97Å; Y183-Y215 HydrophobicContact CE2-CD1 3.97Å; Y183-Y215 AromaticContact CZ-CD1 3.8Å; Y183-F225 AromaticContact CD1-CE1 3.78Å; Y183-F225 HydrophobicContact CD1-CE1 3.78Å; Y183-F225 HydrophobicContact CD1-CZ 4.48Å; Y183-F225 HydrophobicContact CE1-CE1 4.37Å; Y183-F225 HydrophobicContact CG-CE1 4.39Å
184V94.7Very high91.8Very high40 Ų4053.2 Ų53.224%0.24230%0.295CS..EExtended strand (participates in β ladder)trans-139.7121.7171.6-177.40000108A158 I161 V163 V181 W194 V195A158-V184 HydrophobicContact CB-CG1 3.92Å; A158-V184 WeakPolarHBondContact O-CG1 3.47Å; I161-V184 HydrophobicContact CB-CG2 4.36Å; I161-V184 HydrophobicContact CG2-CG2 3.83Å; V163-V184 HydrophobicContact CG2-CB 4.44Å; V163-V184 HydrophobicContact CG2-CG2 4.07Å; V181-V184 HydrophobicContact CG1-CG2 3.6Å; V184-W194 WeakPolarHBondContact CA-O 3.49Å; V184-V195 HydrophobicContact CG2-CG1 4.32Å
185G92.4Very high92.3Very high14 Ų1448.7 Ų48.714%0.14427%0.271CS..EExtended strand (participates in β ladder)trans159.5-169.6-179.800000113.9W194G185-W194 PolarHBondContact N-O 2.82Å; G185-W194 PolarHBondContact O-N 2.83Å; G185-W194 VanDerWaalsContact O-O 3.12Å
186T92.2Very high92.7Very high88 Ų8844.3 Ų44.354%0.5424%0.243SC..EExtended strand (participates in β ladder)trans-81.7150.5175.253.70000111.2Y183Y183-T186 PolarHBondContact OH-O 3.43Å
187V92.2Very high93Very high13 Ų1341.3 Ų41.38%0.07922%0.224CC..  trans-127.5152.8-177.9-59.10000110.6Y183 F189 K190 W194 Y215 F225Y183-V187 HydrophobicContact CE1-CG1 4.08Å; V187-F189 VanDerWaalsContact C-N 3.34Å; V187-F189 HydrophobicContact CB-CD1 3.76Å; V187-F189 HydrophobicContact CB-CE1 3.46Å; V187-F189 VanDerWaalsContact CB-CE1 3.46Å; V187-F189 HydrophobicContact CB-CZ 4Å; V187-F189 HydrophobicContact CG1-CE1 3.82Å; V187-F189 HydrophobicContact CG1-CZ 4.24Å; V187-F189 HydrophobicContact CG2-CD1 3.68Å; V187-F189 HydrophobicContact CG2-CD2 4.09Å; V187-F189 HydrophobicContact CG2-CE1 3.35Å; V187-F189 HydrophobicContact CG2-CE2 3.77Å; V187-F189 HydrophobicContact CG2-CG 4.03Å; V187-F189 HydrophobicContact CG2-CZ 3.39Å; V187-F189 PolarHBondContact O-N 2.86Å; V187-K190 VanDerWaalsContact CG2-O 3.29Å; V187-K190 WeakPolarHBondContact CG2-O 3.37Å; V187-K190 VanDerWaalsContact O-O 3.08Å; V187-W194 HydrophobicContact CG1-CB 3.84Å; V187-W194 HydrophobicContact CG1-CG 4.1Å; V187-W194 HydrophobicContact CG2-CB 4.36Å; V187-W194 HydrophobicContact CG2-CD2 4.22Å; V187-W194 HydrophobicContact CG2-CG 3.69Å; V187-Y215 HydrophobicContact CB-CE1 4.07Å; V187-Y215 HydrophobicContact CG1-CD1 4.36Å; V187-Y215 HydrophobicContact CG1-CE1 3.9Å; V187-F225 HydrophobicContact CG1-CD1 4.2Å; V187-F225 HydrophobicContact CG1-CE1 3.86Å; V187-F225 HydrophobicContact CG1-CZ 4.33Å
188D90.6Very high93.1Very high114 Ų11443.5 Ų43.561%0.6123%0.234SC*.SBendtrans-79.4-21.2-174.1-46.3-96.7000112.3K213 Y215D188-K213 VanDerWaalsContact CG-NZ 3.26Å; D188-K213 IonicContact OD1-NZ 2.66Å; D188-K213 PolarHBondContact OD1-NZ 3.31Å; D188-K213 VanDerWaalsContact OD1-NZ 3.11Å; D188-K213 WeakPolarHBondContact OD2-CD 3.25Å; D188-K213 VanDerWaalsContact OD2-CE 3.32Å; D188-K213 WeakPolarHBondContact OD2-CE 3.31Å; D188-K213 IonicContact OD2-NZ 3.75Å; D188-K213 PolarHBondContact OD2-NZ 3.39Å; D188-Y215 PolarHBondContact N-OH 3.06Å; D188-Y215 VanDerWaalsContact N-OH 3.1Å; D188-Y215 PolarHBondContact OD2-OH 3.21Å
189F89.2Confident93.2Very high41 Ų4142.2 Ų42.218%0.1823%0.227CC..SBendtrans-80.2-24.7-17663.8-98.4000113.5V187 W194 V210 K211 Y215 F225V187-F189 VanDerWaalsContact C-N 3.34Å; V187-F189 HydrophobicContact CB-CD1 3.76Å; V187-F189 HydrophobicContact CB-CE1 3.46Å; V187-F189 VanDerWaalsContact CB-CE1 3.46Å; V187-F189 HydrophobicContact CB-CZ 4Å; V187-F189 HydrophobicContact CG1-CE1 3.82Å; V187-F189 HydrophobicContact CG1-CZ 4.24Å; V187-F189 HydrophobicContact CG2-CD1 3.68Å; V187-F189 HydrophobicContact CG2-CD2 4.09Å; V187-F189 HydrophobicContact CG2-CE1 3.35Å; V187-F189 HydrophobicContact CG2-CE2 3.77Å; V187-F189 HydrophobicContact CG2-CG 4.03Å; V187-F189 HydrophobicContact CG2-CZ 3.39Å; V187-F189 PolarHBondContact O-N 2.86Å; F189-W194 HydrophobicContact CE2-CD2 4.37Å; F189-W194 HydrophobicContact CE2-CH2 4.31Å; F189-W194 HydrophobicContact CE2-CZ2 4.13Å; F189-W194 HydrophobicContact CZ-CD2 4.24Å; F189-W194 HydrophobicContact CZ-CE3 4.4Å; F189-V210 HydrophobicContact CB-CG1 4.11Å; F189-V210 HydrophobicContact CD1-CB 3.96Å; F189-V210 HydrophobicContact CD1-CG1 3.58Å; F189-V210 HydrophobicContact CD1-CG2 4.48Å; F189-V210 HydrophobicContact CE1-CB 4.24Å; F189-V210 HydrophobicContact CE1-CG1 4.13Å; F189-V210 HydrophobicContact CE1-CG2 4.28Å; F189-V210 HydrophobicContact CG-CG1 3.88Å; F189-K211 HydrophobicContact CB-CD 4.03Å; F189-Y215 HydrophobicContact CD1-CE2 4.38Å; F189-Y215 HydrophobicContact CE1-CE2 4.43Å; F189-F225 AromaticContact CE1-CD2 3.79Å; F189-F225 HydrophobicContact CE1-CD2 3.79Å; F189-F225 HydrophobicContact CE1-CE2 4.07Å; F189-F225 HydrophobicContact CE1-CG 4.05Å; F189-F225 HydrophobicContact CZ-CB 3.83Å; F189-F225 HydrophobicContact CZ-CD1 4.39Å; F189-F225 AromaticContact CZ-CD2 3.88Å; F189-F225 HydrophobicContact CZ-CD2 3.88Å; F189-F225 AromaticContact CZ-CG 3.78Å; F189-F225 HydrophobicContact CZ-CG 3.78Å
190K90.4Very high93.1Very high122 Ų12244 Ų4453%0.5324%0.237SC..SBendtrans-155.4143.9-179.7-82.3-174.5-178.4-172.90111.9V187 W194V187-K190 VanDerWaalsContact CG2-O 3.29Å; V187-K190 WeakPolarHBondContact CG2-O 3.37Å; V187-K190 VanDerWaalsContact O-O 3.08Å; K190-W194 HydrophobicContact CB-CZ2 3.66Å; K190-W194 HydrophobicContact CD-CH2 4.07Å; K190-W194 HydrophobicContact CD-CZ2 3.75Å; K190-W194 HydrophobicContact CG-CZ2 4.33Å; K190-W194 PolarHBondContact O-NE1 3.21Å
191P89.1Confident92.8Very high113 Ų11347 Ų4773%0.73425%0.248SC*.SBendtrans-70158.5178.730.4-36.1000113.5R227P191-R227 PolarHBondContact O-NH1 2.9Å; P191-R227 PolarHBondContact O-NH2 2.93Å
192G89.4Confident92.5Very high25 Ų2550.5 Ų50.526%0.25827%0.271SS..SBendtrans92.6-179.6-178.400000113.6
193H91.7Very high92.2Very high46 Ų4650.4 Ų50.421%0.21327%0.271CS..EExtended strand (participates in β ladder)trans-82.7142.8178.7-72.994.6000111.4A158 R227 P228A158-H193 HydrophobicContact CB-CB 3.98Å; H193-R227 PolarHBondContact O-NH1 3.17Å; H193-P228 HydrophobicContact CB-CG 3.95Å; H193-P228 VanDerWaalsContact O-CD 3.23Å; H193-P228 WeakPolarHBondContact O-CD 3.36Å
194W94.7Very high91.9Very high24 Ų2448.4 Ų48.49%0.09127%0.268CS..EExtended strand (participates in β ladder)trans-135.5147.7-178.8-6883.2000110.9V184 G185 V187 F189 K190 F225V184-W194 WeakPolarHBondContact CA-O 3.49Å; G185-W194 PolarHBondContact N-O 2.82Å; G185-W194 PolarHBondContact O-N 2.83Å; G185-W194 VanDerWaalsContact O-O 3.12Å; V187-W194 HydrophobicContact CG1-CB 3.84Å; V187-W194 HydrophobicContact CG1-CG 4.1Å; V187-W194 HydrophobicContact CG2-CB 4.36Å; V187-W194 HydrophobicContact CG2-CD2 4.22Å; V187-W194 HydrophobicContact CG2-CG 3.69Å; F189-W194 HydrophobicContact CE2-CD2 4.37Å; F189-W194 HydrophobicContact CE2-CH2 4.31Å; F189-W194 HydrophobicContact CE2-CZ2 4.13Å; F189-W194 HydrophobicContact CZ-CD2 4.24Å; F189-W194 HydrophobicContact CZ-CE3 4.4Å; K190-W194 HydrophobicContact CB-CZ2 3.66Å; K190-W194 HydrophobicContact CD-CH2 4.07Å; K190-W194 HydrophobicContact CD-CZ2 3.75Å; K190-W194 HydrophobicContact CG-CZ2 4.33Å; K190-W194 PolarHBondContact O-NE1 3.21Å; W194-F225 HydrophobicContact CB-CD1 4.01Å; W194-F225 HydrophobicContact CE3-CB 3.82Å; W194-F225 HydrophobicContact CZ3-CB 4.31Å
195V95.3Very high91.7Very high0 Ų055.2 Ų55.20%029%0.294CS..EExtended strand (participates in β ladder)trans-113.4119.6173.9-175.50000107.8I161 V181 Y183 V184 V197 F225 V226 P228 V231I161-V195 HydrophobicContact CD1-CG2 3.84Å; I161-V195 HydrophobicContact CG2-CG1 4.22Å; V181-V195 HydrophobicContact CG1-CG1 3.8Å; V181-V195 HydrophobicContact CG2-CG1 4.26Å; Y183-V195 CarbonylContact O-C 3.49Å; Y183-V195 WeakPolarHBondContact O-CA 3.4Å; V184-V195 HydrophobicContact CG2-CG1 4.32Å; V195-V197 HydrophobicContact CG1-CG2 3.91Å; V195-F225 WeakPolarHBondContact O-CA 3.29Å; V195-V226 HydrophobicContact CB-CG2 4.37Å; V195-V226 PolarHBondContact N-O 2.79Å; V195-V226 PolarHBondContact O-N 3.41Å; V195-P228 HydrophobicContact CG2-CB 4.2Å; V195-P228 HydrophobicContact CG2-CG 4.05Å; V195-V231 HydrophobicContact CB-CG2 4.09Å; V195-V231 HydrophobicContact CG1-CG2 4.18Å; V195-V231 HydrophobicContact CG2-CG2 4.36Å
196G95.6Very high91.7Very high0 Ų055.7 Ų55.70%029%0.293CS..EExtended strand (participates in β ladder)trans-86.5119.3170.100000109.4M182 Y183 A224M182-G196 PolarHBondContact N-O 2.88Å; Y183-G196 PolarHBondContact N-O 3.38Å; Y183-G196 VanDerWaalsContact N-O 3.1Å; Y183-G196 PolarHBondContact O-N 3.24Å; G196-A224 WeakPolarHBondContact CA-O 3.43Å
197V95.5Very high91.8Very high0 Ų053.7 Ų53.70%028%0.279CS..EExtended strand (participates in β ladder)trans-114.6134.5-179.8-178.60000108.8V169 T180 V195 Y199 G223 A224 V226V169-V197 HydrophobicContact CG2-CB 4.35Å; V169-V197 HydrophobicContact CG2-CG1 4.14Å; V169-V197 HydrophobicContact CG2-CG2 3.92Å; T180-V197 WeakPolarHBondContact O-CA 3.3Å; V195-V197 HydrophobicContact CG1-CG2 3.91Å; V197-Y199 HydrophobicContact CB-CE1 4.4Å; V197-Y199 HydrophobicContact CG1-CD1 3.92Å; V197-Y199 HydrophobicContact CG1-CE1 3.88Å; V197-G223 WeakPolarHBondContact O-CA 3.45Å; V197-A224 PolarHBondContact N-O 3.32Å; V197-A224 PolarHBondContact O-N 2.88Å; V197-V226 HydrophobicContact CG2-CG2 4.13Å
198K95.4Very high91.6Very high80 Ų8053 Ų5335%0.34828%0.275SS..EExtended strand (participates in β ladder)trans-93.4109.6163.4175.1-175.7176.6-170.80107.2G179 T180 M182 C218G179-K198 CarbonylContact C-O 3.09Å; G179-K198 WeakPolarHBondContact CA-O 3.43Å; T180-K198 PolarHBondContact N-O 3.34Å; T180-K198 PolarHBondContact O-N 3.44Å; M182-K198 HydrophobicContact CG-CB 3.56Å; M182-K198 HydrophobicContact SD-CB 4.41Å; K198-C218 HydrophobicContact CB-CB 4.3Å; K198-C218 HydrophobicContact CD-CB 3.99Å; K198-C218 HydrophobicContact CG-CB 3.85Å
199Y94.4Very high91.7Very high8 Ų849.4 Ų49.43%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-69.4159.2173.7-63.6-53.4000111.3V169 K177 I178 V197 E201 L203 Y222 A224V169-Y199 HydrophobicContact CB-CE1 4.02Å; V169-Y199 HydrophobicContact CG2-CE1 3.77Å; K177-Y199 HydrophobicContact CB-CD1 3.68Å; K177-Y199 HydrophobicContact CB-CE1 3.45Å; K177-Y199 VanDerWaalsContact CB-CE1 3.45Å; K177-Y199 HydrophobicContact CB-CG 4.47Å; K177-Y199 HydrophobicContact CD-CD1 4.4Å; K177-Y199 HydrophobicContact CD-CD2 4.38Å; K177-Y199 HydrophobicContact CD-CE1 3.97Å; K177-Y199 HydrophobicContact CD-CE2 3.88Å; K177-Y199 HydrophobicContact CG-CE1 4.36Å; I178-Y199 WeakPolarHBondContact O-CA 3.39Å; V197-Y199 HydrophobicContact CB-CE1 4.4Å; V197-Y199 HydrophobicContact CG1-CD1 3.92Å; V197-Y199 HydrophobicContact CG1-CE1 3.88Å; Y199-E201 VanDerWaalsContact CB-O 3.3Å; Y199-E201 WeakPolarHBondContact CB-O 3.39Å; Y199-L203 HydrophobicContact CD2-CB 4.42Å; Y199-Y222 WeakPolarHBondContact CD2-O 3.41Å; Y199-Y222 PolarHBondContact N-O 3.41Å; Y199-Y222 VanDerWaalsContact O-CD1 3.25Å; Y199-Y222 WeakPolarHBondContact O-CD1 3.22Å; Y199-A224 HydrophobicContact CD2-CB 4.28Å; Y199-A224 HydrophobicContact CE2-CB 3.38Å
200D91.7Very high91.8Very high38 Ų3848.9 Ų48.920%0.20326%0.258CS..SBendtrans-80.3-28.7173.8-55.8-28.5000111.2R166 I178 Y222 E238R166-D200 IonicContact CZ-OD1 3.82Å; R166-D200 IonicContact CZ-OD2 3.33Å; R166-D200 IonicContact NH1-OD1 3.67Å; R166-D200 PolarHBondContact NH1-OD1 2.78Å; R166-D200 IonicContact NH1-OD2 2.87Å; R166-D200 PolarHBondContact NH1-OD2 2.93Å; R166-D200 IonicContact NH2-OD1 3.85Å; R166-D200 IonicContact NH2-OD2 3.75Å; R166-D200 PolarHBondContact NH2-OD2 3.41Å; I178-D200 PolarHBondContact O-N 3.06Å; D200-Y222 VanDerWaalsContact O-CE1 3.22Å; D200-Y222 WeakPolarHBondContact O-CE1 3.23Å; D200-E238 HydrophobicContact CB-CG 4.25Å
201E88.6Confident91.5Very high96 Ų9651 Ų5145%0.44927%0.268SS..SBendtrans-106.1160176.5-65-175.4134.200111.3Y199 L203Y199-E201 VanDerWaalsContact CB-O 3.3Å; Y199-E201 WeakPolarHBondContact CB-O 3.39Å; E201-L203 HydrophobicContact CB-CD1 4.07Å; E201-L203 HydrophobicContact CB-CG 3.88Å; E201-L203 PolarHBondContact O-N 3.4Å; E201-L203 VanDerWaalsContact OE2-CD1 3.26Å; E201-L203 WeakPolarHBondContact OE2-CD1 3.48Å
202P90.2Very high91.4Very high72 Ų7255.5 Ų55.547%0.46828%0.279SS..SBendtrans-72.848.2179.131.5-37.4000113.6K221 Y222P202-K221 CarbonylContact C-O 3.56Å; P202-K221 VanDerWaalsContact CA-O 3.28Å; P202-K221 WeakPolarHBondContact CA-O 3.38Å; P202-K221 HydrophobicContact CB-CB 4.29Å; P202-Y222 HydrophobicContact CB-CD2 4.24Å; P202-Y222 HydrophobicContact CB-CE2 3.65Å
203L87.8Confident91.5Very high67 Ų6759 Ų5935%0.35129%0.287SS..  trans-100.46.2-177.9-61.9-178.5000113.4K177 Y199 E201 K221K177-L203 HydrophobicContact CD-CB 3.78Å; K177-L203 HydrophobicContact CD-CD1 4.15Å; K177-L203 HydrophobicContact CG-CB 4.44Å; K177-L203 HydrophobicContact CG-CD1 3.93Å; K177-L203 PolarHBondContact NZ-O 3.15Å; Y199-L203 HydrophobicContact CD2-CB 4.42Å; E201-L203 HydrophobicContact CB-CD1 4.07Å; E201-L203 HydrophobicContact CB-CG 3.88Å; E201-L203 PolarHBondContact O-N 3.4Å; E201-L203 VanDerWaalsContact OE2-CD1 3.26Å; E201-L203 WeakPolarHBondContact OE2-CD1 3.48Å; L203-K221 PolarHBondContact N-O 3.48Å
204G89.6Confident91.6Very high15 Ų1563.3 Ų63.316%0.15530%0.301CS..  trans-81.6-176.4175.200000113.4K221 G223G204-K221 CarbonylContact C-O 3.55Å; G204-K221 WeakPolarHBondContact CA-O 3.43Å; G204-K221 PolarHBondContact N-O 2.93Å; G204-G223 CarbonylContact C-O 3.58Å; G204-G223 WeakPolarHBondContact CA-O 3.35Å
205K89.8Confident91.6Very high183 Ų18363.5 Ų63.580%0.79630%0.302SS*.SBendtrans-116.6-23.7-176.3-65.7-176.6179.1178.30113.4G223K205-G223 PolarHBondContact N-O 2.96Å
206H92.7Very high91.5Very high25 Ų2564.1 Ų64.112%0.11631%0.305CS..BIsolated β-bridgetrans-146.9175.6-173.751.172.9000111.7G208 F216 G223 A224 F225H206-G208 VanDerWaalsContact C-N 3.33Å; H206-G208 WeakPolarHBondContact ND1-CA 3.5Å; H206-G208 PolarHBondContact ND1-N 3.45Å; H206-G208 VanDerWaalsContact ND1-N 3.13Å; H206-F216 AromaticContact CE1-CZ 3.74Å; H206-G223 PolarHBondContact N-O 3.36Å; H206-G223 PolarHBondContact ND1-O 2.91Å; H206-G223 VanDerWaalsContact O-CA 3.26Å; H206-G223 WeakPolarHBondContact O-CA 3.19Å; H206-G223 PolarHBondContact O-N 3.43Å; H206-A224 PolarHBondContact CE1-N 2.91Å; H206-A224 WeakPolarHBondContact NE2-CA 3.39Å; H206-F225 AromaticContact CE1-CD2 3.55Å; H206-F225 AromaticContact CE1-CE2 3.74Å; H206-F225 AromaticContact NE2-CD2 3.22Å; H206-F225 WeakPolarHBondContact NE2-CD2 3.26Å; H206-F225 AromaticContact NE2-CE2 3.85Å; H206-F225 PolarHBondContact NE2-N 3.49Å
207D93.3Very high91.4Very high45 Ų4571 Ų7124%0.24134%0.337CS..SBendtrans-90.97.3175.470-25.6000113.2S209 R214 C218D207-S209 PolarHBondContact OD1-N 2.7Å; D207-S209 VanDerWaalsContact OD1-N 3.11Å; D207-S209 PolarHBondContact OD1-OG 3.06Å; D207-R214 IonicContact OD2-NH2 2.71Å; D207-R214 PolarHBondContact OD2-NH2 2.85Å; D207-C218 PolarHBondContact O-N 3.48Å; D207-C218 VanDerWaalsContact O-N 3.1Å; D207-C218 VanDerWaalsContact O-O 3.07Å; D207-C218 PolarHBondContact O-SG 3.43Å
208G89.1Confident91.2Very high0 Ų071.9 Ų71.90%034%0.343CS..SBendtrans102.80.4-17800000113.4H206 Y215 F216H206-G208 VanDerWaalsContact C-N 3.33Å; H206-G208 WeakPolarHBondContact ND1-CA 3.5Å; H206-G208 PolarHBondContact ND1-N 3.45Å; H206-G208 VanDerWaalsContact ND1-N 3.13Å; G208-Y215 PolarHBondContact O-N 3.39Å; G208-F216 CarbonylContact C-O 3.52Å; G208-F216 VanDerWaalsContact CA-O 3.3Å; G208-F216 WeakPolarHBondContact CA-O 3.45Å; G208-F216 PolarHBondContact O-N 3.03Å
209S92.9Very high91.1Very high37 Ų3774 Ų7426%0.25935%0.354SS..EExtended strand (participates in β ladder)trans-105.2143.2167.272.30000112.6D207 K213D207-S209 PolarHBondContact OD1-N 2.7Å; D207-S209 VanDerWaalsContact OD1-N 3.11Å; D207-S209 PolarHBondContact OD1-OG 3.06Å; S209-K213 CarbonylContact C-O 3.51Å; S209-K213 VanDerWaalsContact CA-O 3.28Å; S209-K213 WeakPolarHBondContact CA-O 3.48Å
210V90.7Very high90.9Very high31 Ų3179.1 Ų79.119%0.18838%0.382CS..EExtended strand (participates in β ladder)trans-139126.2173.7-179.40000108.5F189 E212 K213 Y215 F225F189-V210 HydrophobicContact CB-CG1 4.11Å; F189-V210 HydrophobicContact CD1-CB 3.96Å; F189-V210 HydrophobicContact CD1-CG1 3.58Å; F189-V210 HydrophobicContact CD1-CG2 4.48Å; F189-V210 HydrophobicContact CE1-CB 4.24Å; F189-V210 HydrophobicContact CE1-CG1 4.13Å; F189-V210 HydrophobicContact CE1-CG2 4.28Å; F189-V210 HydrophobicContact CG-CG1 3.88Å; V210-E212 PolarHBondContact O-N 2.56Å; V210-K213 PolarHBondContact N-O 3.23Å; V210-K213 PolarHBondContact O-N 2.93Å; V210-Y215 HydrophobicContact CB-CE2 4.15Å; V210-F225 HydrophobicContact CG2-CD2 3.78Å; V210-F225 HydrophobicContact CG2-CE2 3.73Å
211K84.9Confident90.9Very high166 Ų16683 Ų8372%0.72240%0.397SS*.THydrogen-bonded Turntrans4954-179.2-64-178.8177.4-178.90112.6F189 K213F189-K211 HydrophobicContact CB-CD 4.03Å; K211-K213 PolarHBondContact O-N 2.97Å
212E87.1Confident91.2Very high208 Ų20880.9 Ų80.997%0.97239%0.386SS*.THydrogen-bonded Turntrans69.5-4.3175.6-50.5-178.5141.200116.3V210V210-E212 PolarHBondContact O-N 2.56Å
213K91.3Very high91.4Very high97 Ų9777.5 Ų77.542%0.42236%0.363SS..EExtended strand (participates in β ladder)trans-99.6128.3170.9-167.2175.6177.81770110.8D188 S209 V210 K211 Y215D188-K213 VanDerWaalsContact CG-NZ 3.26Å; D188-K213 IonicContact OD1-NZ 2.66Å; D188-K213 PolarHBondContact OD1-NZ 3.31Å; D188-K213 VanDerWaalsContact OD1-NZ 3.11Å; D188-K213 WeakPolarHBondContact OD2-CD 3.25Å; D188-K213 VanDerWaalsContact OD2-CE 3.32Å; D188-K213 WeakPolarHBondContact OD2-CE 3.31Å; D188-K213 IonicContact OD2-NZ 3.75Å; D188-K213 PolarHBondContact OD2-NZ 3.39Å; S209-K213 CarbonylContact C-O 3.51Å; S209-K213 VanDerWaalsContact CA-O 3.28Å; S209-K213 WeakPolarHBondContact CA-O 3.48Å; V210-K213 PolarHBondContact N-O 3.23Å; V210-K213 PolarHBondContact O-N 2.93Å; K211-K213 PolarHBondContact O-N 2.97Å; K213-Y215 HydrophobicContact CB-CE2 4.26Å; K213-Y215 HydrophobicContact CD-CE1 4.18Å; K213-Y215 HydrophobicContact CG-CE2 4.46Å
214R93.6Very high91.7Very high137 Ų13774.5 Ų74.552%0.51735%0.349SS..EExtended strand (participates in β ladder)trans-90.7125173.8-175.4170.3-72.6-133.4-10.3109.7D207 F216 E217D207-R214 IonicContact OD2-NH2 2.71Å; D207-R214 PolarHBondContact OD2-NH2 2.85Å; R214-F216 WeakPolarHBondContact CG-O 3.2Å; R214-E217 IonicContact NH1-OE1 3.86Å
215Y93.8Very high91.9Very high29 Ų2974.9 Ų74.911%0.11435%0.346CS..  trans-102.9-39.7178.2-64.5-89.6000111.7Y183 V187 D188 F189 G208 V210 K213 F225Y183-Y215 HydrophobicContact CD2-CD1 4.45Å; Y183-Y215 HydrophobicContact CE1-CD1 4.16Å; Y183-Y215 AromaticContact CE2-CD1 3.97Å; Y183-Y215 HydrophobicContact CE2-CD1 3.97Å; Y183-Y215 AromaticContact CZ-CD1 3.8Å; V187-Y215 HydrophobicContact CB-CE1 4.07Å; V187-Y215 HydrophobicContact CG1-CD1 4.36Å; V187-Y215 HydrophobicContact CG1-CE1 3.9Å; D188-Y215 PolarHBondContact N-OH 3.06Å; D188-Y215 VanDerWaalsContact N-OH 3.1Å; D188-Y215 PolarHBondContact OD2-OH 3.21Å; F189-Y215 HydrophobicContact CD1-CE2 4.38Å; F189-Y215 HydrophobicContact CE1-CE2 4.43Å; G208-Y215 PolarHBondContact O-N 3.39Å; V210-Y215 HydrophobicContact CB-CE2 4.15Å; K213-Y215 HydrophobicContact CB-CE2 4.26Å; K213-Y215 HydrophobicContact CD-CE1 4.18Å; K213-Y215 HydrophobicContact CG-CE2 4.46Å; Y215-F225 HydrophobicContact CD1-CZ 4.12Å; Y215-F225 AromaticContact CD2-CE2 3.72Å; Y215-F225 HydrophobicContact CD2-CE2 3.72Å; Y215-F225 AromaticContact CD2-CZ 3.56Å; Y215-F225 HydrophobicContact CD2-CZ 3.56Å; Y215-F225 HydrophobicContact CE2-CE2 4.27Å; Y215-F225 HydrophobicContact CE2-CZ 4.25Å; Y215-F225 HydrophobicContact CG-CE1 4.45Å; Y215-F225 HydrophobicContact CG-CE2 4.14Å; Y215-F225 AromaticContact CG-CZ 3.49Å; Y215-F225 HydrophobicContact CG-CZ 3.49Å; Y215-F225 VanDerWaalsContact CG-CZ 3.49Å
216F93.8Very high92.2Very high13 Ų1366.9 Ų66.96%0.05731%0.312CS..SBendtrans-149.1172.9174.560.2-86.1000110.1M182 H206 G208 R214 C218 F225M182-F216 HydrophobicContact CB-CB 3.66Å; M182-F216 HydrophobicContact CB-CD1 4.25Å; M182-F216 HydrophobicContact CB-CD2 3.59Å; M182-F216 HydrophobicContact CB-CE2 4.22Å; M182-F216 HydrophobicContact CB-CG 3.59Å; M182-F216 HydrophobicContact CG-CD2 3.94Å; M182-F216 HydrophobicContact CG-CE2 4.41Å; M182-F216 HydrophobicContact CG-CG 4.43Å; H206-F216 AromaticContact CE1-CZ 3.74Å; G208-F216 CarbonylContact C-O 3.52Å; G208-F216 VanDerWaalsContact CA-O 3.3Å; G208-F216 WeakPolarHBondContact CA-O 3.45Å; G208-F216 PolarHBondContact O-N 3.03Å; R214-F216 WeakPolarHBondContact CG-O 3.2Å; F216-C218 HydrophobicContact CD2-CB 4.37Å; F216-C218 HydrophobicContact CE2-CB 4.27Å; F216-C218 VanDerWaalsContact CE2-SG 3.54Å; F216-F225 HydrophobicContact CD1-CZ 4.21Å; F216-F225 HydrophobicContact CE1-CE1 4.25Å; F216-F225 HydrophobicContact CE1-CE2 4.04Å; F216-F225 AromaticContact CE1-CZ 3.8Å; F216-F225 HydrophobicContact CE1-CZ 3.8Å
217E93.5Very high92.2Very high144 Ų14469 Ų6967%0.67332%0.319SS*.  trans-112.1126.3-179.2-175.8166.9-163.500110.9R214R214-E217 IonicContact NH1-OE1 3.86Å
218C91.6Very high92.2Very high19 Ų1967 Ų6713%0.12831%0.308CS..  trans-157.3171.9172.363.50000111.2K198 D207 F216 G223K198-C218 HydrophobicContact CB-CB 4.3Å; K198-C218 HydrophobicContact CD-CB 3.99Å; K198-C218 HydrophobicContact CG-CB 3.85Å; D207-C218 PolarHBondContact O-N 3.48Å; D207-C218 VanDerWaalsContact O-N 3.1Å; D207-C218 VanDerWaalsContact O-O 3.07Å; D207-C218 PolarHBondContact O-SG 3.43Å; F216-C218 HydrophobicContact CD2-CB 4.37Å; F216-C218 HydrophobicContact CE2-CB 4.27Å; F216-C218 VanDerWaalsContact CE2-SG 3.54Å; C218-G223 WeakPolarHBondContact SG-CA 3.45Å; C218-G223 PolarHBondContact SG-N 2.97Å
219E91.8Very high92.3Very high124 Ų12470.9 Ų70.958%0.57933%0.329SS*.  trans-67.9156.6175.3-69.6-177.6-159.400112.1K221 Y222E219-K221 PolarHBondContact O-N 3.32Å; E219-Y222 HydrophobicContact CB-CD2 3.5Å; E219-Y222 VanDerWaalsContact CB-CD2 3.5Å; E219-Y222 HydrophobicContact CB-CE2 3.96Å; E219-Y222 HydrophobicContact CB-CG 3.93Å; E219-Y222 WeakPolarHBondContact O-CB 3.41Å; E219-Y222 PolarHBondContact O-N 2.8Å
220N91.3Very high92.3Very high115 Ų11571 Ų7162%0.61533%0.328SS*.THydrogen-bonded Turntrans-61.5131.4178.3-174.527.1000110.2Y222N220-Y222 VanDerWaalsContact C-N 3.33Å; N220-Y222 WeakPolarHBondContact O-CD2 3.16Å
221K92.6Very high92.4Very high121 Ų12170.1 Ų70.153%0.52632%0.323SS..THydrogen-bonded Turntrans70.815.5-172.4-47.5175.8178.9176.30115.2P202 L203 G204 E219P202-K221 CarbonylContact C-O 3.56Å; P202-K221 VanDerWaalsContact CA-O 3.28Å; P202-K221 WeakPolarHBondContact CA-O 3.38Å; P202-K221 HydrophobicContact CB-CB 4.29Å; L203-K221 PolarHBondContact N-O 3.48Å; G204-K221 CarbonylContact C-O 3.55Å; G204-K221 WeakPolarHBondContact CA-O 3.43Å; G204-K221 PolarHBondContact N-O 2.93Å; E219-K221 PolarHBondContact O-N 3.32Å
222Y93.7Very high92.8Very high51 Ų5165.7 Ų65.720%0.231%0.31CS..THydrogen-bonded Turntrans-102.5-26.6173.3-76.2-114.4000112.4Y199 D200 P202 E219 N220Y199-Y222 WeakPolarHBondContact CD2-O 3.41Å; Y199-Y222 PolarHBondContact N-O 3.41Å; Y199-Y222 VanDerWaalsContact O-CD1 3.25Å; Y199-Y222 WeakPolarHBondContact O-CD1 3.22Å; D200-Y222 VanDerWaalsContact O-CE1 3.22Å; D200-Y222 WeakPolarHBondContact O-CE1 3.23Å; P202-Y222 HydrophobicContact CB-CD2 4.24Å; P202-Y222 HydrophobicContact CB-CE2 3.65Å; E219-Y222 HydrophobicContact CB-CD2 3.5Å; E219-Y222 VanDerWaalsContact CB-CD2 3.5Å; E219-Y222 HydrophobicContact CB-CE2 3.96Å; E219-Y222 HydrophobicContact CB-CG 3.93Å; E219-Y222 WeakPolarHBondContact O-CB 3.41Å; E219-Y222 PolarHBondContact O-N 2.8Å; N220-Y222 VanDerWaalsContact C-N 3.33Å; N220-Y222 WeakPolarHBondContact O-CD2 3.16Å
223G94.3Very high93Very high0 Ų058.3 Ų58.30%028%0.279CS..EExtended strand (participates in β ladder)trans-86.4138.1-178.900000113.2V197 G204 K205 H206 C218V197-G223 WeakPolarHBondContact O-CA 3.45Å; G204-G223 CarbonylContact C-O 3.58Å; G204-G223 WeakPolarHBondContact CA-O 3.35Å; K205-G223 PolarHBondContact N-O 2.96Å; H206-G223 PolarHBondContact N-O 3.36Å; H206-G223 PolarHBondContact ND1-O 2.91Å; H206-G223 VanDerWaalsContact O-CA 3.26Å; H206-G223 WeakPolarHBondContact O-CA 3.19Å; H206-G223 PolarHBondContact O-N 3.43Å; C218-G223 WeakPolarHBondContact SG-CA 3.45Å; C218-G223 PolarHBondContact SG-N 2.97Å
224A94.5Very high92.9Very high5 Ų555.2 Ų55.24%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-142.8147.9167.100000112.4G196 V197 Y199 H206G196-A224 WeakPolarHBondContact CA-O 3.43Å; V197-A224 PolarHBondContact N-O 3.32Å; V197-A224 PolarHBondContact O-N 2.88Å; Y199-A224 HydrophobicContact CD2-CB 4.28Å; Y199-A224 HydrophobicContact CE2-CB 3.38Å; H206-A224 PolarHBondContact CE1-N 2.91Å; H206-A224 WeakPolarHBondContact NE2-CA 3.39Å
225F94.6Very high92.5Very high22 Ų2256 Ų5610%0.09629%0.289CS..EExtended strand (participates in β ladder)trans-99.4127.3167.2-80.5-73.1000111.3Y183 V187 F189 W194 V195 H206 V210 Y215 F216Y183-F225 AromaticContact CD1-CE1 3.78Å; Y183-F225 HydrophobicContact CD1-CE1 3.78Å; Y183-F225 HydrophobicContact CD1-CZ 4.48Å; Y183-F225 HydrophobicContact CE1-CE1 4.37Å; Y183-F225 HydrophobicContact CG-CE1 4.39Å; V187-F225 HydrophobicContact CG1-CD1 4.2Å; V187-F225 HydrophobicContact CG1-CE1 3.86Å; V187-F225 HydrophobicContact CG1-CZ 4.33Å; F189-F225 AromaticContact CE1-CD2 3.79Å; F189-F225 HydrophobicContact CE1-CD2 3.79Å; F189-F225 HydrophobicContact CE1-CE2 4.07Å; F189-F225 HydrophobicContact CE1-CG 4.05Å; F189-F225 HydrophobicContact CZ-CB 3.83Å; F189-F225 HydrophobicContact CZ-CD1 4.39Å; F189-F225 AromaticContact CZ-CD2 3.88Å; F189-F225 HydrophobicContact CZ-CD2 3.88Å; F189-F225 AromaticContact CZ-CG 3.78Å; F189-F225 HydrophobicContact CZ-CG 3.78Å; W194-F225 HydrophobicContact CB-CD1 4.01Å; W194-F225 HydrophobicContact CE3-CB 3.82Å; W194-F225 HydrophobicContact CZ3-CB 4.31Å; V195-F225 WeakPolarHBondContact O-CA 3.29Å; H206-F225 AromaticContact CE1-CD2 3.55Å; H206-F225 AromaticContact CE1-CE2 3.74Å; H206-F225 AromaticContact NE2-CD2 3.22Å; H206-F225 WeakPolarHBondContact NE2-CD2 3.26Å; H206-F225 AromaticContact NE2-CE2 3.85Å; H206-F225 PolarHBondContact NE2-N 3.49Å; V210-F225 HydrophobicContact CG2-CD2 3.78Å; V210-F225 HydrophobicContact CG2-CE2 3.73Å; Y215-F225 HydrophobicContact CD1-CZ 4.12Å; Y215-F225 AromaticContact CD2-CE2 3.72Å; Y215-F225 HydrophobicContact CD2-CE2 3.72Å; Y215-F225 AromaticContact CD2-CZ 3.56Å; Y215-F225 HydrophobicContact CD2-CZ 3.56Å; Y215-F225 HydrophobicContact CE2-CE2 4.27Å; Y215-F225 HydrophobicContact CE2-CZ 4.25Å; Y215-F225 HydrophobicContact CG-CE1 4.45Å; Y215-F225 HydrophobicContact CG-CE2 4.14Å; Y215-F225 AromaticContact CG-CZ 3.49Å; Y215-F225 HydrophobicContact CG-CZ 3.49Å; Y215-F225 VanDerWaalsContact CG-CZ 3.49Å; F216-F225 HydrophobicContact CD1-CZ 4.21Å; F216-F225 HydrophobicContact CE1-CE1 4.25Å; F216-F225 HydrophobicContact CE1-CE2 4.04Å; F216-F225 AromaticContact CE1-CZ 3.8Å; F216-F225 HydrophobicContact CE1-CZ 3.8Å
226V94.2Very high92.1Very high15 Ų1556.7 Ų56.79%0.09129%0.292CS..EExtended strand (participates in β ladder)trans-133.9165.5179.6-65.10000111.6V169 V195 V197 V231V169-V226 HydrophobicContact CG1-CB 4.31Å; V169-V226 HydrophobicContact CG1-CG1 3.89Å; V169-V226 HydrophobicContact CG1-CG2 4.1Å; V169-V226 HydrophobicContact CG2-CG2 4.33Å; V195-V226 HydrophobicContact CB-CG2 4.37Å; V195-V226 PolarHBondContact N-O 2.79Å; V195-V226 PolarHBondContact O-N 3.41Å; V197-V226 HydrophobicContact CG2-CG2 4.13Å; V226-V231 HydrophobicContact CG2-CG2 3.4Å
227R94Very high91.6Very high71 Ų7160.3 Ų60.327%0.26832%0.318SS..  trans-77.4143.4177.9-72-70.6-177.2-178.9-8.6109.9E154 P191 H193 L229 T230E154-R227 IonicContact OE1-NE 3.36Å; E154-R227 IonicContact OE1-NH1 3.76Å; E154-R227 IonicContact OE2-CZ 3.64Å; E154-R227 IonicContact OE2-NH1 3.16Å; E154-R227 PolarHBondContact OE2-NH1 2.8Å; P191-R227 PolarHBondContact O-NH1 2.9Å; P191-R227 PolarHBondContact O-NH2 2.93Å; H193-R227 PolarHBondContact O-NH1 3.17Å; R227-L229 PolarHBondContact O-N 3.25Å; R227-L229 VanDerWaalsContact O-N 3.15Å; R227-T230 HydrophobicContact CB-CG2 4.49Å; R227-T230 PolarHBondContact N-OG1 3.29Å; R227-T230 PolarHBondContact O-N 3.05Å; R227-T230 PolarHBondContact O-OG1 3.03Å
228P93.3Very high90.9Very high1 Ų160 Ų601%0.00632%0.316CS..G310 helixtrans-50.3-41.1178.7-27.833.2000113.6A157 A158 I161 H193 V195 T230 V231A157-P228 HydrophobicContact CB-CB 3.74Å; A158-P228 HydrophobicContact CB-CB 4.2Å; A158-P228 HydrophobicContact CB-CG 3.84Å; I161-P228 HydrophobicContact CD1-CB 4.19Å; H193-P228 HydrophobicContact CB-CG 3.95Å; H193-P228 VanDerWaalsContact O-CD 3.23Å; H193-P228 WeakPolarHBondContact O-CD 3.36Å; V195-P228 HydrophobicContact CG2-CB 4.2Å; V195-P228 HydrophobicContact CG2-CG 4.05Å; P228-T230 PolarHBondContact O-N 3.04Å; P228-T230 VanDerWaalsContact O-N 3.08Å; P228-V231 PolarHBondContact O-N 3.07Å
229L91.9Very high89.9Confident83 Ų8364.6 Ų64.644%0.43534%0.336SS..G310 helixtrans-63.8-14.2179.5-62.8173.5000115E153 E154 A157 R227E153-L229 HydrophobicContact CG-CD2 4.04Å; E154-L229 HydrophobicContact CG-CD1 3.97Å; E154-L229 HydrophobicContact CG-CG 4.29Å; A157-L229 HydrophobicContact CB-CD2 3.97Å; R227-L229 PolarHBondContact O-N 3.25Å; R227-L229 VanDerWaalsContact O-N 3.15Å
230T92.1Very high88.7Confident38 Ų3865.7 Ų65.723%0.23335%0.345CS..G310 helixtrans-97.51.3177.760.60000113.1V169 Q170 R227 P228V169-T230 WeakPolarHBondContact CA-O 3.49Å; Q170-T230 PolarHBondContact N-O 3.07Å; Q170-T230 WeakPolarHBondContact O-CB 3.46Å; R227-T230 HydrophobicContact CB-CG2 4.49Å; R227-T230 PolarHBondContact N-OG1 3.29Å; R227-T230 PolarHBondContact O-N 3.05Å; R227-T230 PolarHBondContact O-OG1 3.03Å; P228-T230 PolarHBondContact O-N 3.04Å; P228-T230 VanDerWaalsContact O-N 3.08Å
231V93.2Very high87.3Confident13 Ų1366.8 Ų66.88%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-113.1123.6-176.1-174.80000109.5I161 C167 V169 V195 V226 P228I161-V231 HydrophobicContact CD1-CB 3.9Å; I161-V231 HydrophobicContact CD1-CG1 4.17Å; C167-V231 HydrophobicContact CB-CG1 3.67Å; V169-V231 HydrophobicContact CG2-CG2 4.35Å; V195-V231 HydrophobicContact CB-CG2 4.09Å; V195-V231 HydrophobicContact CG1-CG2 4.18Å; V195-V231 HydrophobicContact CG2-CG2 4.36Å; V226-V231 HydrophobicContact CG2-CG2 3.4Å; P228-V231 PolarHBondContact O-N 3.07Å
232T92.4Very high85.7Confident74 Ų7463.3 Ų63.345%0.45434%0.34SS..EExtended strand (participates in β ladder)trans-107.7118.3171.2-55.10000108.7C167 Q168 F236C167-T232 CarbonylContact C-O 3.47Å; C167-T232 VanDerWaalsContact CA-O 3.25Å; C167-T232 WeakPolarHBondContact CA-O 3.12Å; Q168-T232 PolarHBondContact N-O 2.84Å; Q168-T232 PolarHBondContact O-N 3.05Å; T232-F236 HydrophobicContact CG2-CE2 4.38Å; T232-F236 HydrophobicContact CG2-CZ 4.28Å; T232-F236 WeakPolarHBondContact O-CE2 3.26Å
233V91.2Very high84.1Confident52 Ų5267.6 Ų67.632%0.31537%0.366SS..EExtended strand (participates in β ladder)trans-87134.7175.4174.30000109.2I161 N165 C167I161-V233 HydrophobicContact CB-CG2 4.2Å; I161-V233 HydrophobicContact CG1-CG2 3.87Å; I161-V233 HydrophobicContact CG2-CG2 3.85Å; N165-V233 HydrophobicContact CB-CG1 3.58Å; C167-V233 HydrophobicContact CB-CG2 4.37Å
234G88.7Confident82.4Confident32 Ų3275.7 Ų75.733%0.3341%0.409SS..SBendtrans-179.8-173.2-176.800000112.7R166 F236R166-G234 WeakPolarHBondContact CB-O 3.13Å; R166-G234 PolarHBondContact O-N 2.85Å; R166-G234 VanDerWaalsContact O-N 3.11Å; G234-F236 PolarHBondContact O-N 2.83Å; G234-F236 VanDerWaalsContact O-N 3.13Å
235D86.1Confident80.3Confident155 Ų15584.6 Ų84.683%0.82945%0.45SS*.  trans-82.786.2175.4-167.713.9000109.9P237D235-P237 WeakPolarHBondContact O-CD 3.47Å
236F86.3Confident77.7Confident42 Ų4295.4 Ų95.418%0.18450%0.504CS..  trans-113.685.1177.8-60.9-75.1000108.8R166 Q168 I178 T232 G234R166-F236 VanDerWaalsContact CZ-O 3.3Å; R166-F236 PolarHBondContact NE-O 2.66Å; R166-F236 PolarHBondContact NH2-O 3.37Å; Q168-F236 HydrophobicContact CB-CD1 4.04Å; Q168-F236 HydrophobicContact CB-CD2 3.93Å; Q168-F236 HydrophobicContact CB-CE1 3.81Å; Q168-F236 HydrophobicContact CB-CE2 3.7Å; Q168-F236 HydrophobicContact CB-CG 4.09Å; Q168-F236 HydrophobicContact CB-CZ 3.64Å; Q168-F236 HydrophobicContact CG-CE1 4.35Å; I178-F236 HydrophobicContact CG2-CB 3.73Å; T232-F236 HydrophobicContact CG2-CE2 4.38Å; T232-F236 HydrophobicContact CG2-CZ 4.28Å; T232-F236 WeakPolarHBondContact O-CE2 3.26Å; G234-F236 PolarHBondContact O-N 2.83Å; G234-F236 VanDerWaalsContact O-N 3.13Å
237P82.4Confident76.9Confident90 Ų9099.5 Ų99.558%0.58452%0.524SS*.  trans-60.9156.6176.626.6-34.1000110.7D235 E239D235-P237 WeakPolarHBondContact O-CD 3.47Å; P237-E239 PolarHBondContact O-N 3.45Å
238E77.9Confident76Confident136 Ų136100.9 Ų100.964%0.63654%0.538SS*.  trans-64132.5172.1-173.1171.6-17300109D200 D240D200-E238 HydrophobicContact CB-CG 4.25Å; E238-D240 PolarHBondContact O-N 2.72Å; E238-D240 VanDerWaalsContact O-N 3.17Å
239E71.4Confident75Confident117 Ų117106.5 Ų106.555%0.54757%0.567SS.*  trans-78.599.1175.1-69.8-175.9145.300108.4I178 P237 Y241I178-E239 HydrophobicContact CD1-CG 4.44Å; P237-E239 PolarHBondContact O-N 3.45Å; E239-Y241 HydrophobicContact CB-CD2 4.27Å; E239-Y241 HydrophobicContact CB-CE2 3.63Å; E239-Y241 VanDerWaalsContact O-CD2 3.23Å; E239-Y241 WeakPolarHBondContact O-CD2 3.21Å; E239-Y241 PolarHBondContact O-N 2.85Å; E239-Y241 PolarHBondContact OE2-OH 2.98Å
240D65.8Low74Confident146 Ų146107.9 Ų107.978%0.78158%0.575SS**  trans-76.4105.2171.5-176.911.6000109.4E238 G242E238-D240 PolarHBondContact O-N 2.72Å; E238-D240 VanDerWaalsContact O-N 3.17Å; D240-G242 PolarHBondContact O-N 3Å; D240-G242 PolarHBondContact OD1-N 3.44Å
241Y63.6Low72.9Confident139 Ų139112.3 Ų112.355%0.54560%0.597SS.*  trans-79.81.9178.8-71.5-81.5000113.4E239 L243E239-Y241 HydrophobicContact CB-CD2 4.27Å; E239-Y241 HydrophobicContact CB-CE2 3.63Å; E239-Y241 VanDerWaalsContact O-CD2 3.23Å; E239-Y241 WeakPolarHBondContact O-CD2 3.21Å; E239-Y241 PolarHBondContact O-N 2.85Å; E239-Y241 PolarHBondContact OE2-OH 2.98Å; Y241-L243 PolarHBondContact O-N 3.3Å; Y241-L243 VanDerWaalsContact O-N 3.14Å
242G59.1Low71.6Confident47 Ų47118.9 Ų118.949%0.48563%0.631SS.*  trans60.626.5173.600000114.1D240 D244D240-G242 PolarHBondContact O-N 3Å; D240-G242 PolarHBondContact OD1-N 3.44Å; G242-D244 PolarHBondContact O-N 2.95Å
243L59.5Low70.1Confident141 Ų141122.1 Ų122.174%0.73864%0.644SS**G310 helixtrans-78.3-1.4-175.6-68.1173.5000113.7Y241 E245Y241-L243 PolarHBondContact O-N 3.3Å; Y241-L243 VanDerWaalsContact O-N 3.14Å; L243-E245 VanDerWaalsContact C-N 3.29Å; L243-E245 PolarHBondContact O-N 3.29Å
244D59.1Low68.5Low171 Ų171127.5 Ų127.591%0.91467%0.669SS**G310 helixtrans-81.6-0.1176.5-79.9-16.9000113.8G242G242-D244 PolarHBondContact O-N 2.95Å
245E48.6Very low66.8Low192 Ų192135.4 Ų135.490%0.89770%0.697SS**G310 helixtrans-107.828.9177.5-74.7-162.5162.400115.1L243L243-E245 VanDerWaalsContact C-N 3.29Å; L243-E245 PolarHBondContact O-N 3.29Å
246M41.4Very low65Low249 Ų249133.6 Ų133.6100%1.22769%0.685SS**  trans-1230177.6-132.3-178.7-166.700115.6

Retrieved 246 of 246 residues in 46.8 ms (Link to these results)

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