A0A3Q0KLI0_SCHMA Loading...

Retinaldehyde binding protein-related

AlphaFold DB , UniProt , Accession A0A3Q0KLI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 394 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
1M37.4Very low35.6Very low250 Ų250162.4 Ų162.4100%1.23286%0.857SS**  0120.40-85.4169.6130.400109.1
2N36.9Very low35.3Very low156 Ų156161.9 Ų161.983%0.83485%0.854SS**  trans-61.3130.2178.4-82.3-33000112.3
3K37.5Very low35Very low201 Ų201167.8 Ų167.887%0.87486%0.858SS**  trans-134.772.9149.6-81.4-171177.2176.70109.2N5K3-N5 PolarHBondContact O-N 3.49Å
4K39.2Very low35Very low180 Ų180171.1 Ų171.178%0.78386%0.863SS**  trans-76.996.1157.7-86.7-177.2174.71780107.3
5N36Very low35.5Very low149 Ų149166 Ų16680%0.79785%0.85SS**  trans-9987.2161.3-85.8-7.4000108.2K3 S7K3-N5 PolarHBondContact O-N 3.49Å; N5-S7 PolarHBondContact O-N 3.35Å
6M34.4Very low36.2Very low183 Ų183161.4 Ų161.490%0.90184%0.837SS**  trans-74.792.1158.6-75-179.470.600107.7
7S35.6Very low37.1Very low109 Ų109161.9 Ų161.976%0.76283%0.832SS**  trans-91.4113.5164.859.50000108.9N5 T9N5-S7 PolarHBondContact O-N 3.35Å; S7-T9 PolarHBondContact O-N 3.31Å
8K34.2Very low38.8Very low204 Ų204160.7 Ų160.789%0.88783%0.827SS**  trans-26.2123.8173.2-68.8169.4175.5175.90113.9S10K8-S10 PolarHBondContact O-N 3.49Å; K8-S10 VanDerWaalsContact O-N 3.09Å
9T33.6Very low41.3Very low132 Ų132162 Ų16281%0.8183%0.829SS**  trans-50.4110.2159.335.10000109.3S7 S11S7-T9 PolarHBondContact O-N 3.31Å; T9-S11 VanDerWaalsContact C-N 3.26Å; T9-S11 PolarHBondContact O-N 2.98Å
10S34.1Very low43.8Very low114 Ų114157.2 Ų157.280%0.79781%0.805SS**  trans-68.585.8170.761.60000109.1K8 L12K8-S10 PolarHBondContact O-N 3.49Å; K8-S10 VanDerWaalsContact O-N 3.09Å; S10-L12 PolarHBondContact O-N 3.16Å
11S32.5Very low46.3Very low108 Ų108153.1 Ų153.176%0.75579%0.787SS**  trans-76.765.7166.543.10000109.4T9T9-S11 VanDerWaalsContact C-N 3.26Å; T9-S11 PolarHBondContact O-N 2.98Å
12L32Very low49.1Very low157 Ų157146.2 Ų146.282%0.82276%0.764SS**  trans-159.9106.2174.8-98.4148.6000110.5S10S10-L12 PolarHBondContact O-N 3.16Å
13R31.5Very low52Low238 Ų238145.6 Ų145.690%0.89876%0.756SS**  trans140.658.9155.1-77.5177.7179.3-171.90.4112.1
14K34.9Very low54.8Low214 Ų214140.3 Ų140.393%0.9373%0.734SS**  trans-96.879.3131.2-80.1-176.5177.5179.40105.5S16K14-S16 PolarHBondContact O-N 2.92Å
15S42.3Very low57.6Low95 Ų95133.8 Ų133.866%0.66471%0.708SS**  trans-62.4118.4162.458.50000105.5K17S15-K17 PolarHBondContact O-N 2.99Å
16S46.8Very low60.5Low93 Ų93132.2 Ų132.265%0.6570%0.697SS**  trans-46.9114.8159.648.70000106.4K14 N18K14-S16 PolarHBondContact O-N 2.92Å; S16-N18 VanDerWaalsContact C-N 3.26Å; S16-N18 PolarHBondContact O-N 3.39Å
17K52.6Low63.6Low170 Ų170128 Ų12874%0.73968%0.678SS**  trans-60.6104.4162.7-82.5-173.5173.4-170.30103.7S15 E19S15-K17 PolarHBondContact O-N 2.99Å; K17-E19 PolarHBondContact O-N 3.43Å
18N67.2Low66.6Low140 Ų140124.5 Ų124.575%0.74965%0.651SS**  trans-57111.1169.7-75.5-8.2000105.7S16 L20S16-N18 VanDerWaalsContact C-N 3.26Å; S16-N18 PolarHBondContact O-N 3.39Å; N18-L20 PolarHBondContact O-N 3.29Å
19E86.3Confident69.7Low185 Ų185116.6 Ų116.686%0.86462%0.616SS**PPolyproline II helixtrans-62.2129.4174.5-68.8-179.1168.400107.8K17K17-E19 PolarHBondContact O-N 3.43Å
20L91.9Very high72.8Confident66 Ų66113.2 Ų113.235%0.34660%0.595SS.*PPolyproline II helixtrans-65.8138.7179-67.7168.8000109.5N18 Q24 I25 L28 Y65N18-L20 PolarHBondContact O-N 3.29Å; L20-Q24 HydrophobicContact CB-CB 4.3Å; L20-Q24 HydrophobicContact CD2-CB 4.2Å; L20-I25 HydrophobicContact CB-CD1 4.27Å; L20-I25 HydrophobicContact CB-CG1 3.82Å; L20-I25 HydrophobicContact CD1-CG1 4.41Å; L20-L28 HydrophobicContact CD1-CD1 3.94Å; L20-Y65 HydrophobicContact CD1-CD1 3.94Å; L20-Y65 HydrophobicContact CD1-CD2 3.72Å; L20-Y65 HydrophobicContact CD1-CE2 4.34Å; L20-Y65 HydrophobicContact CD1-CG 3.49Å; L20-Y65 VanDerWaalsContact CD1-CG 3.49Å
21T95.9Very high75.8Confident72 Ų72112.4 Ų112.444%0.44258%0.579SS.*PPolyproline II helixtrans-69159.617371.50000110.9E23 Q24 I25T21-E23 PolarHBondContact O-N 3.37Å; T21-Q24 PolarHBondContact O-N 2.82Å; T21-Q24 VanDerWaalsContact O-N 3.13Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.41Å; T21-Q24 PolarHBondContact OG1-N 3.2Å; T21-I25 WeakPolarHBondContact O-CG1 3.36Å; T21-I25 PolarHBondContact O-N 3.49Å
22S95.5Very high79Confident105 Ų105107.3 Ų107.373%0.73454%0.543SS*.Hα-helixtrans-57.1-35.3175.6-53.50000112.7M26S22-M26 WeakPolarHBondContact O-CB 3.27Å; S22-M26 PolarHBondContact O-N 3.5Å
23E97.2Very high82.2Confident143 Ų143103.6 Ų103.667%0.66852%0.519SS*.Hα-helixtrans-67.4-44.7175.7-173.6-178.6-179.500111.8T21 I25 M26 N27T21-E23 PolarHBondContact O-N 3.37Å; E23-I25 VanDerWaalsContact C-N 3.33Å; E23-I25 PolarHBondContact O-N 2.98Å; E23-M26 PolarHBondContact O-N 3.05Å; E23-N27 PolarHBondContact O-N 3.34Å; E23-N27 PolarHBondContact O-ND2 2.98Å
24Q97.7Very high85.4Confident90 Ų9096.7 Ų96.742%0.42150%0.497SS..Hα-helixtrans-60.3-43.8175-73.2172.9-32.700111.3L20 T21 M26 N27 L28L20-Q24 HydrophobicContact CB-CB 4.3Å; L20-Q24 HydrophobicContact CD2-CB 4.2Å; T21-Q24 PolarHBondContact O-N 2.82Å; T21-Q24 VanDerWaalsContact O-N 3.13Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.41Å; T21-Q24 PolarHBondContact OG1-N 3.2Å; Q24-M26 VanDerWaalsContact C-N 3.32Å; Q24-M26 PolarHBondContact O-N 3.07Å; Q24-N27 PolarHBondContact O-N 3.49Å; Q24-L28 VanDerWaalsContact O-CG 3.27Å; Q24-L28 WeakPolarHBondContact O-CG 3.36Å; Q24-L28 PolarHBondContact O-N 2.97Å
25I97.6Very high88.4Confident43 Ų4389.1 Ų89.122%0.22147%0.466CS..Hα-helixtrans-60.5-43176.2-68.4170.4000110.7L20 T21 E23 N27 L28 K29 Y65L20-I25 HydrophobicContact CB-CD1 4.27Å; L20-I25 HydrophobicContact CB-CG1 3.82Å; L20-I25 HydrophobicContact CD1-CG1 4.41Å; T21-I25 WeakPolarHBondContact O-CG1 3.36Å; T21-I25 PolarHBondContact O-N 3.49Å; E23-I25 VanDerWaalsContact C-N 3.33Å; E23-I25 PolarHBondContact O-N 2.98Å; I25-N27 PolarHBondContact O-N 2.79Å; I25-L28 PolarHBondContact O-N 3.22Å; I25-K29 HydrophobicContact CG2-CD 4.36Å; I25-K29 HydrophobicContact CG2-CG 4.46Å; I25-K29 WeakPolarHBondContact O-CG 3.43Å; I25-K29 PolarHBondContact O-N 2.99Å; I25-Y65 HydrophobicContact CG1-CE1 4.05Å; I25-Y65 HydrophobicContact CG2-CE1 4.1Å
26M97.9Very high91.1Very high115 Ų11584.7 Ų84.757%0.56744%0.435SS*.Hα-helixtrans-64.3-39.6179.1-170.962.3-177.900112.4S22 E23 Q24 K29 T30S22-M26 WeakPolarHBondContact O-CB 3.27Å; S22-M26 PolarHBondContact O-N 3.5Å; E23-M26 PolarHBondContact O-N 3.05Å; Q24-M26 VanDerWaalsContact C-N 3.32Å; Q24-M26 PolarHBondContact O-N 3.07Å; M26-K29 PolarHBondContact O-N 3.02Å; M26-T30 WeakPolarHBondContact O-CB 3.47Å; M26-T30 PolarHBondContact O-N 3.21Å; M26-T30 PolarHBondContact O-OG1 2.95Å
27N98.4Very high93.5Very high95 Ų9586.1 Ų86.151%0.50843%0.43SS..Hα-helixtrans-63.8-45.3176-70.2-20000111.3E23 Q24 I25 K29 T30 E31E23-N27 PolarHBondContact O-N 3.34Å; E23-N27 PolarHBondContact O-ND2 2.98Å; Q24-N27 PolarHBondContact O-N 3.49Å; I25-N27 PolarHBondContact O-N 2.79Å; N27-K29 PolarHBondContact O-N 3.14Å; N27-T30 WeakPolarHBondContact O-CB 3.4Å; N27-T30 PolarHBondContact O-N 3.3Å; N27-T30 VanDerWaalsContact O-N 3.16Å; N27-E31 PolarHBondContact O-N 2.89Å
28L98.6Very high95.7Very high36 Ų3682.6 Ų82.619%0.18843%0.426CS..Hα-helixtrans-66.6-37.3178.6-62.6170.5000112.5L20 Q24 I25 T30 E31 L32 L60 Y65 V67L20-L28 HydrophobicContact CD1-CD1 3.94Å; Q24-L28 VanDerWaalsContact O-CG 3.27Å; Q24-L28 WeakPolarHBondContact O-CG 3.36Å; Q24-L28 PolarHBondContact O-N 2.97Å; I25-L28 PolarHBondContact O-N 3.22Å; L28-T30 VanDerWaalsContact C-N 3.33Å; L28-E31 PolarHBondContact O-N 3.21Å; L28-L32 PolarHBondContact O-N 3.44Å; L28-L60 HydrophobicContact CB-CD1 4.41Å; L28-Y65 HydrophobicContact CD1-CD1 4.25Å; L28-Y65 HydrophobicContact CD1-CG 4.49Å; L28-V67 HydrophobicContact CB-CG2 4.24Å; L28-V67 HydrophobicContact CD2-CG2 3.7Å
29K98.6Very high97.2Very high37 Ų3780.8 Ų80.816%0.16142%0.416CS..Hα-helixtrans-59.6-45170.4-77-176166.1-156.90111.4I25 M26 N27 Y33 D53 I56 T57 L60I25-K29 HydrophobicContact CG2-CD 4.36Å; I25-K29 HydrophobicContact CG2-CG 4.46Å; I25-K29 WeakPolarHBondContact O-CG 3.43Å; I25-K29 PolarHBondContact O-N 2.99Å; M26-K29 PolarHBondContact O-N 3.02Å; N27-K29 PolarHBondContact O-N 3.14Å; K29-Y33 VanDerWaalsContact O-CB 3.27Å; K29-Y33 WeakPolarHBondContact O-CB 3.31Å; K29-Y33 PolarHBondContact O-N 3.15Å; K29-D53 VanDerWaalsContact NZ-CG 3.33Å; K29-D53 IonicContact NZ-OD1 3.76Å; K29-D53 PolarHBondContact NZ-OD1 3.4Å; K29-D53 IonicContact NZ-OD2 3.79Å; K29-D53 PolarHBondContact NZ-OD2 3.37Å; K29-D53 VanDerWaalsContact NZ-OD2 3.13Å; K29-I56 HydrophobicContact CB-CG2 4.01Å; K29-I56 HydrophobicContact CG-CG2 4.04Å; K29-T57 WeakPolarHBondContact CE-OG1 3.43Å; K29-T57 PolarHBondContact NZ-OG1 3.4Å; K29-L60 HydrophobicContact CB-CD1 4.34Å; K29-L60 HydrophobicContact CG-CD1 3.8Å
30T98.6Very high97.7Very high62 Ų6273 Ų7338%0.3838%0.381SS..Hα-helixtrans-64.2-42.9179.2-57.50000111.1M26 N27 L28 Y33 Q34M26-T30 WeakPolarHBondContact O-CB 3.47Å; M26-T30 PolarHBondContact O-N 3.21Å; M26-T30 PolarHBondContact O-OG1 2.95Å; N27-T30 WeakPolarHBondContact O-CB 3.4Å; N27-T30 PolarHBondContact O-N 3.3Å; N27-T30 VanDerWaalsContact O-N 3.16Å; L28-T30 VanDerWaalsContact C-N 3.33Å; T30-Y33 WeakPolarHBondContact O-CB 3.25Å; T30-Y33 PolarHBondContact O-N 3.4Å; T30-Q34 WeakPolarHBondContact O-CG 3.48Å; T30-Q34 PolarHBondContact O-N 2.88Å
31E98.7Very high98Very high97 Ų9774.7 Ų74.745%0.45339%0.394SS..Hα-helixtrans-61.3-50.5177.7-166.1-174.815500112N27 L28 Y33 Q34 L35 V67N27-E31 PolarHBondContact O-N 2.89Å; L28-E31 PolarHBondContact O-N 3.21Å; E31-Y33 VanDerWaalsContact C-N 3.32Å; E31-Y33 PolarHBondContact O-N 2.92Å; E31-Q34 PolarHBondContact O-N 3.27Å; E31-L35 PolarHBondContact O-N 3.04Å; E31-V67 HydrophobicContact CB-CG1 4.36Å; E31-V67 HydrophobicContact CB-CG2 4.39Å; E31-V67 HydrophobicContact CG-CG1 3.97Å; E31-V67 HydrophobicContact CG-CG2 4.49Å
32L98.8Very high98.1Very high0 Ų075.2 Ų75.20%040%0.399CS..Hα-helixtrans-63.1-39.2177.4-17860.2000111.9L28 Q34 L35 A36 I56 F59 L60 V67 A70 F71 L74L28-L32 PolarHBondContact O-N 3.44Å; L32-Q34 PolarHBondContact O-N 3.36Å; L32-L35 PolarHBondContact O-N 3.47Å; L32-A36 WeakPolarHBondContact O-CB 3.32Å; L32-A36 PolarHBondContact O-N 3.31Å; L32-I56 HydrophobicContact CB-CD1 4.39Å; L32-I56 HydrophobicContact CB-CG2 4.35Å; L32-I56 HydrophobicContact CD2-CD1 4.08Å; L32-I56 HydrophobicContact CD2-CG2 4.2Å; L32-I56 HydrophobicContact CG-CD1 3.82Å; L32-F59 HydrophobicContact CD2-CB 4.47Å; L32-L60 HydrophobicContact CB-CD2 4.36Å; L32-L60 HydrophobicContact CD2-CD1 4.36Å; L32-L60 HydrophobicContact CD2-CD2 4.02Å; L32-L60 HydrophobicContact CD2-CG 3.7Å; L32-V67 HydrophobicContact CB-CG1 4.3Å; L32-A70 HydrophobicContact CD1-CB 4.37Å; L32-A70 HydrophobicContact CD2-CB 3.88Å; L32-F71 HydrophobicContact CD1-CB 3.69Å; L32-F71 HydrophobicContact CD1-CD2 4.25Å; L32-F71 HydrophobicContact CD1-CG 4.48Å; L32-L74 HydrophobicContact CD1-CD2 4.41Å
33Y98.7Very high98.1Very high80 Ų8070.7 Ų70.731%0.31437%0.366SS..Hα-helixtrans-57.4-47.2174.8170.7-85.5000111.5K29 T30 E31 A36 K37 T51K29-Y33 VanDerWaalsContact O-CB 3.27Å; K29-Y33 WeakPolarHBondContact O-CB 3.31Å; K29-Y33 PolarHBondContact O-N 3.15Å; T30-Y33 WeakPolarHBondContact O-CB 3.25Å; T30-Y33 PolarHBondContact O-N 3.4Å; E31-Y33 VanDerWaalsContact C-N 3.32Å; E31-Y33 PolarHBondContact O-N 2.92Å; Y33-A36 PolarHBondContact O-N 3.2Å; Y33-K37 HydrophobicContact CE1-CD 3.84Å; Y33-K37 VanDerWaalsContact O-CB 3.3Å; Y33-K37 WeakPolarHBondContact O-CB 3.42Å; Y33-K37 PolarHBondContact O-N 2.94Å; Y33-T51 HydrophobicContact CD2-CG2 4.39Å; Y33-T51 WeakPolarHBondContact CD2-O 3.46Å; Y33-T51 HydrophobicContact CE2-CG2 4.22Å
34Q98.7Very high97.9Very high93 Ų9369 Ų6944%0.43537%0.368SS..Hα-helixtrans-66.2-43.1179.2-65.3-58.4-20.700111.5T30 E31 L32 A36 K37 S38T30-Q34 WeakPolarHBondContact O-CG 3.48Å; T30-Q34 PolarHBondContact O-N 2.88Å; E31-Q34 PolarHBondContact O-N 3.27Å; L32-Q34 PolarHBondContact O-N 3.36Å; Q34-A36 PolarHBondContact O-N 3.37Å; Q34-K37 PolarHBondContact O-N 3.4Å; Q34-S38 WeakPolarHBondContact O-CB 3.29Å; Q34-S38 PolarHBondContact O-N 2.96Å; Q34-S38 PolarHBondContact O-OG 2.95Å
35L98.5Very high97.5Very high55 Ų5568.4 Ų68.429%0.28837%0.367SS..Hα-helixtrans-58.4-46.9175.3-74.3175.9000111.9E31 L32 S38 N39 V67 F71E31-L35 PolarHBondContact O-N 3.04Å; L32-L35 PolarHBondContact O-N 3.47Å; L35-S38 PolarHBondContact O-N 2.88Å; L35-N39 VanDerWaalsContact O-CB 3.3Å; L35-N39 WeakPolarHBondContact O-CB 3.36Å; L35-N39 PolarHBondContact O-N 3.31Å; L35-N39 PolarHBondContact O-ND2 3.44Å; L35-V67 HydrophobicContact CD1-CG1 3.47Å; L35-V67 VanDerWaalsContact CD1-CG1 3.47Å; L35-F71 HydrophobicContact CB-CD2 3.82Å; L35-F71 HydrophobicContact CB-CE2 4.16Å; L35-F71 HydrophobicContact CB-CG 4.31Å; L35-F71 HydrophobicContact CD1-CB 4.37Å; L35-F71 HydrophobicContact CD1-CG 4.46Å
36A98.6Very high97.3Very high1 Ų167.9 Ų67.91%0.00836%0.364CS..Hα-helixtrans-60.6-49.4177.200000111.4L32 Y33 Q34 S38 N39 L40 A50 T51 L74L32-A36 WeakPolarHBondContact O-CB 3.32Å; L32-A36 PolarHBondContact O-N 3.31Å; Y33-A36 PolarHBondContact O-N 3.2Å; Q34-A36 PolarHBondContact O-N 3.37Å; A36-S38 VanDerWaalsContact C-N 3.33Å; A36-S38 PolarHBondContact O-N 3.05Å; A36-N39 PolarHBondContact O-N 3.28Å; A36-L40 HydrophobicContact CB-CD1 4.12Å; A36-L40 VanDerWaalsContact O-CB 3.31Å; A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 PolarHBondContact O-N 2.88Å; A36-A50 HydrophobicContact CB-CB 4.46Å; A36-A50 WeakPolarHBondContact CB-O 3.28Å; A36-T51 HydrophobicContact CB-CG2 4.44Å; A36-L74 HydrophobicContact CB-CD2 3.94Å
37K98.2Very high97.2Very high124 Ų12465.7 Ų65.754%0.53936%0.358SS..Hα-helixtrans-61.5-37.9-179.1-174176.2-176.61750113.1Y33 Q34 T51Y33-K37 HydrophobicContact CE1-CD 3.84Å; Y33-K37 VanDerWaalsContact O-CB 3.3Å; Y33-K37 WeakPolarHBondContact O-CB 3.42Å; Y33-K37 PolarHBondContact O-N 2.94Å; Q34-K37 PolarHBondContact O-N 3.4Å; K37-T51 HydrophobicContact CB-CG2 4.36Å
38S98Very high97.1Very high95 Ų9566.3 Ų66.366%0.66436%0.362SS*.Hα-helixtrans-82-26.3-178-66.20000114Q34 L35 A36Q34-S38 WeakPolarHBondContact O-CB 3.29Å; Q34-S38 PolarHBondContact O-N 2.96Å; Q34-S38 PolarHBondContact O-OG 2.95Å; L35-S38 PolarHBondContact O-N 2.88Å; A36-S38 VanDerWaalsContact C-N 3.33Å; A36-S38 PolarHBondContact O-N 3.05Å
39N98.4Very high97Very high102 Ų10265.3 Ų65.355%0.54536%0.356SS..Hα-helixtrans-119.4-13-168-63.7-86.7000114.7L35 A36 F71L35-N39 VanDerWaalsContact O-CB 3.3Å; L35-N39 WeakPolarHBondContact O-CB 3.36Å; L35-N39 PolarHBondContact O-N 3.31Å; L35-N39 PolarHBondContact O-ND2 3.44Å; A36-N39 PolarHBondContact O-N 3.28Å; N39-F71 HydrophobicContact CB-CE2 4.06Å; N39-F71 HydrophobicContact CB-CZ 3.54Å
40L98.1Very high97Very high21 Ų2164.1 Ų64.111%0.1135%0.353CS..SBendtrans-112.3124.1-178.5-56.5177.7000110.5A36 A50 F71 L74 K75 V78A36-L40 HydrophobicContact CB-CD1 4.12Å; A36-L40 VanDerWaalsContact O-CB 3.31Å; A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 PolarHBondContact O-N 2.88Å; L40-A50 HydrophobicContact CD1-CB 4.12Å; L40-F71 HydrophobicContact CD1-CE2 4.08Å; L40-F71 HydrophobicContact CD2-CE2 4.21Å; L40-F71 HydrophobicContact CD2-CZ 4.24Å; L40-F71 HydrophobicContact CG-CE2 3.95Å; L40-F71 HydrophobicContact CG-CZ 4.4Å; L40-L74 HydrophobicContact CD1-CD2 4.27Å; L40-L74 HydrophobicContact CD1-CG 4.06Å; L40-K75 HydrophobicContact CD2-CB 3.84Å; L40-K75 HydrophobicContact CD2-CD 4.29Å; L40-K75 HydrophobicContact CD2-CG 3.74Å; L40-V78 HydrophobicContact CD1-CG2 4.13Å
41T97.7Very high97Very high102 Ų10262.7 Ų62.763%0.62634%0.344SS*.PPolyproline II helixtrans-65129.8170.2-52.40000109.3R82T41-R82 PolarHBondContact O-NH2 2.95Å
42P97.6Very high96.8Very high83 Ų8360.2 Ų60.254%0.53934%0.337SS..PPolyproline II helixtrans-54.1150.6175.6-28.536.3000113.3P47 R82P42-P47 HydrophobicContact CB-CB 4.15Å; P42-R82 PolarHBondContact O-NH1 2.95Å; P42-R82 VanDerWaalsContact O-NH1 3.17Å
43L96.4Very high96.7Very high10 Ų1064.9 Ų64.95%0.05236%0.362CS..BIsolated β-bridgetrans-82.3137.7173.7-72.4166.6000109.4N45 E46 P47 F49 V78 R81 R82L43-N45 PolarHBondContact O-N 3.46Å; L43-E46 HydrophobicContact CB-CG 3.55Å; L43-E46 HydrophobicContact CD1-CG 3.68Å; L43-E46 HydrophobicContact CG-CG 4.25Å; L43-E46 CarbonylContact O-C 3.54Å; L43-E46 PolarHBondContact O-N 3.35Å; L43-P47 VanDerWaalsContact O-CA 3.31Å; L43-P47 WeakPolarHBondContact O-CA 3.33Å; L43-P47 VanDerWaalsContact O-N 3.15Å; L43-F49 HydrophobicContact CD1-CB 4.03Å; L43-F49 HydrophobicContact CD1-CD1 3.91Å; L43-F49 HydrophobicContact CD1-CG 4.08Å; L43-V78 HydrophobicContact CD2-CG1 4.33Å; L43-V78 HydrophobicContact CG-CG1 4.25Å; L43-R81 HydrophobicContact CD1-CB 3.8Å; L43-R81 HydrophobicContact CD2-CB 4.25Å; L43-R82 HydrophobicContact CD2-CB 3.77Å; L43-R82 HydrophobicContact CD2-CG 4.38Å
44P92.2Very high96.5Very high108 Ų10862.7 Ų62.770%0.70136%0.355SS*.THydrogen-bonded Turntrans-57-41.7-172.5-27.834.8000115.2
45N90Very high96.5Very high77 Ų7758.3 Ų58.341%0.41234%0.335SS..THydrogen-bonded Turntrans-101.6-0.6-174.9-63.1-29000113.4L43 L87 Y334L43-N45 PolarHBondContact O-N 3.46Å; N45-L87 HydrophobicContact CB-CD1 3.81Å; N45-Y334 HydrophobicContact CB-CD2 4.5Å; N45-Y334 HydrophobicContact CB-CE2 4.27Å
46E93.3Very high96.5Very high33 Ų3355.9 Ų55.915%0.15432%0.322CS..BIsolated β-bridgetrans-151.561.9-179.651.5-175.215200110.5L43 D48 F49 R81 L87L43-E46 HydrophobicContact CB-CG 3.55Å; L43-E46 HydrophobicContact CD1-CG 3.68Å; L43-E46 HydrophobicContact CG-CG 4.25Å; L43-E46 CarbonylContact O-C 3.54Å; L43-E46 PolarHBondContact O-N 3.35Å; E46-D48 PolarHBondContact O-N 2.89Å; E46-F49 HydrophobicContact CB-CB 4.12Å; E46-F49 HydrophobicContact CG-CB 3.99Å; E46-F49 WeakPolarHBondContact O-CB 3.29Å; E46-F49 PolarHBondContact O-N 2.92Å; E46-F49 WeakPolarHBondContact OE2-CD2 3.32Å; E46-R81 IonicContact OE1-CZ 3.06Å; E46-R81 IonicContact OE1-NE 3.53Å; E46-R81 PolarHBondContact OE1-NE 3.29Å; E46-R81 IonicContact OE1-NH2 3.68Å; E46-R81 PolarHBondContact OE1-NH2 3.08Å; E46-R81 VanDerWaalsContact OE1-NH2 3.16Å; E46-R81 IonicContact OE2-CZ 2.75Å; E46-R81 VanDerWaalsContact OE2-CZ 3.28Å; E46-R81 IonicContact OE2-NE 3.21Å; E46-R81 PolarHBondContact OE2-NE 2.87Å; E46-R81 IonicContact OE2-NH2 2.76Å; E46-R81 PolarHBondContact OE2-NH2 3.3Å; E46-L87 HydrophobicContact CB-CD1 3.84Å; E46-L87 HydrophobicContact CG-CD1 3.73Å
47P95.6Very high96.4Very high69 Ų6957.7 Ų57.745%0.44833%0.333SS..THydrogen-bonded Turntrans-58.1-29.4-171.422.7-34.5000113.2P42 L43P42-P47 HydrophobicContact CB-CB 4.15Å; L43-P47 VanDerWaalsContact O-CA 3.31Å; L43-P47 WeakPolarHBondContact O-CA 3.33Å; L43-P47 VanDerWaalsContact O-N 3.15Å
48D96.1Very high96.3Very high108 Ų10852.4 Ų52.458%0.57831%0.31SS*.THydrogen-bonded Turntrans-90.91.4-178.9-55.1-45.2000114E46 A50 T51 C52E46-D48 PolarHBondContact O-N 2.89Å; D48-A50 VanDerWaalsContact C-N 3.26Å; D48-A50 PolarHBondContact O-N 3.21Å; D48-T51 WeakPolarHBondContact CA-OG1 3.42Å; D48-T51 PolarHBondContact O-N 3.41Å; D48-T51 PolarHBondContact O-OG1 3.49Å; D48-C52 WeakPolarHBondContact O-CB 3.05Å; D48-C52 PolarHBondContact O-N 3Å
49F96.6Very high96.3Very high15 Ų1548 Ų487%0.06628%0.279CS..THydrogen-bonded Turntrans-52.3-45.9-175.8169.9-93.5000112.2L43 E46 T51 T55 L74 V78 R81L43-F49 HydrophobicContact CD1-CB 4.03Å; L43-F49 HydrophobicContact CD1-CD1 3.91Å; L43-F49 HydrophobicContact CD1-CG 4.08Å; E46-F49 HydrophobicContact CB-CB 4.12Å; E46-F49 HydrophobicContact CG-CB 3.99Å; E46-F49 WeakPolarHBondContact O-CB 3.29Å; E46-F49 PolarHBondContact O-N 2.92Å; E46-F49 WeakPolarHBondContact OE2-CD2 3.32Å; F49-T51 VanDerWaalsContact C-N 3.3Å; F49-T51 PolarHBondContact O-N 2.94Å; F49-T55 HydrophobicContact CE1-CG2 4.37Å; F49-T55 HydrophobicContact CZ-CG2 4.33Å; F49-T55 WeakPolarHBondContact O-CB 3.29Å; F49-T55 WeakPolarHBondContact O-CG2 3.5Å; F49-T55 PolarHBondContact O-OG1 2.66Å; F49-L74 HydrophobicContact CE1-CD1 4.2Å; F49-V78 HydrophobicContact CD1-CG2 3.88Å; F49-V78 HydrophobicContact CE1-CG2 3.95Å; F49-R81 VanDerWaalsContact CE2-CD 3.47Å
50A97.9Very high96.3Very high12 Ų1243.1 Ų43.110%0.09925%0.253CS..THydrogen-bonded Turntrans-80.1-10.1-175.900000113.9A36 L40 D48 I56 L74 V78A36-A50 HydrophobicContact CB-CB 4.46Å; A36-A50 WeakPolarHBondContact CB-O 3.28Å; L40-A50 HydrophobicContact CD1-CB 4.12Å; D48-A50 VanDerWaalsContact C-N 3.26Å; D48-A50 PolarHBondContact O-N 3.21Å; A50-I56 WeakPolarHBondContact O-CD1 3.49Å; A50-L74 HydrophobicContact CB-CD1 4.49Å; A50-L74 HydrophobicContact CB-CD2 4.48Å; A50-V78 HydrophobicContact CB-CG2 3.84Å
51T98.2Very high96.2Very high31 Ų3144.4 Ų44.419%0.1926%0.262CS..THydrogen-bonded Turntrans-124.2-8.8-17052.60000113.5Y33 A36 K37 D48 F49Y33-T51 HydrophobicContact CD2-CG2 4.39Å; Y33-T51 WeakPolarHBondContact CD2-O 3.46Å; Y33-T51 HydrophobicContact CE2-CG2 4.22Å; A36-T51 HydrophobicContact CB-CG2 4.44Å; K37-T51 HydrophobicContact CB-CG2 4.36Å; D48-T51 WeakPolarHBondContact CA-OG1 3.42Å; D48-T51 PolarHBondContact O-N 3.41Å; D48-T51 PolarHBondContact O-OG1 3.49Å; F49-T51 VanDerWaalsContact C-N 3.3Å; F49-T51 PolarHBondContact O-N 2.94Å
52C96.2Very high96.1Very high45 Ų4540.8 Ų40.830%0.30424%0.242SC..SBendtrans-70.9145.2175.873.70000111.6D48 D54 T55 I56D48-C52 WeakPolarHBondContact O-CB 3.05Å; D48-C52 PolarHBondContact O-N 3Å; C52-D54 PolarHBondContact O-N 3.14Å; C52-T55 PolarHBondContact O-N 3.49Å; C52-T55 VanDerWaalsContact O-N 3.13Å; C52-T55 PolarHBondContact SG-OG1 2.89Å; C52-I56 WeakPolarHBondContact O-CG1 3.5Å; C52-I56 PolarHBondContact O-N 3.4Å
53D95.9Very high96Very high98 Ų9841.1 Ų41.152%0.52423%0.233SC..Hα-helixtrans-56.2-38.7-174.1-177.967.4000112.8K29 I56 T57K29-D53 VanDerWaalsContact NZ-CG 3.33Å; K29-D53 IonicContact NZ-OD1 3.76Å; K29-D53 PolarHBondContact NZ-OD1 3.4Å; K29-D53 IonicContact NZ-OD2 3.79Å; K29-D53 PolarHBondContact NZ-OD2 3.37Å; K29-D53 VanDerWaalsContact NZ-OD2 3.13Å; D53-I56 PolarHBondContact O-N 2.97Å; D53-T57 VanDerWaalsContact O-CB 3.27Å; D53-T57 WeakPolarHBondContact O-CB 3.47Å; D53-T57 PolarHBondContact O-N 3.15Å; D53-T57 PolarHBondContact O-OG1 3.41Å
54D95.2Very high96Very high34 Ų3446.2 Ų46.218%0.18226%0.26CS..Hα-helixtrans-60.2-49.1177.616959.8000112.4C52 T57 R58 R145 N153C52-D54 PolarHBondContact O-N 3.14Å; D54-T57 PolarHBondContact O-N 2.93Å; D54-R58 WeakPolarHBondContact O-CG 3.49Å; D54-R58 PolarHBondContact O-N 3.38Å; D54-R58 VanDerWaalsContact O-N 3.07Å; D54-R58 IonicContact OD1-CZ 2.76Å; D54-R58 IonicContact OD1-NH1 3.01Å; D54-R58 PolarHBondContact OD1-NH1 3.07Å; D54-R58 IonicContact OD1-NH2 3.16Å; D54-R58 IonicContact OD2-CZ 3.9Å; D54-R58 IonicContact OD2-NH1 3.04Å; D54-R58 PolarHBondContact OD2-NH1 3.3Å; D54-R58 IonicContact OD2-NH2 3.28Å; D54-R58 PolarHBondContact OD2-NH2 2.89Å; D54-R145 IonicContact OD2-NH2 2.78Å; D54-R145 PolarHBondContact OD2-NH2 2.96Å; D54-N153 WeakPolarHBondContact OD1-CB 3.46Å; D54-N153 VanDerWaalsContact OD1-CG 3.26Å; D54-N153 PolarHBondContact OD1-ND2 3.28Å
55T97.3Very high96.2Very high1 Ų144.2 Ų44.21%0.00624%0.239CC..Hα-helixtrans-64.8-48.2176.3-66.40000111.3F49 C52 T57 R58 F59 L74F49-T55 HydrophobicContact CE1-CG2 4.37Å; F49-T55 HydrophobicContact CZ-CG2 4.33Å; F49-T55 WeakPolarHBondContact O-CB 3.29Å; F49-T55 WeakPolarHBondContact O-CG2 3.5Å; F49-T55 PolarHBondContact O-OG1 2.66Å; C52-T55 PolarHBondContact O-N 3.49Å; C52-T55 VanDerWaalsContact O-N 3.13Å; C52-T55 PolarHBondContact SG-OG1 2.89Å; T55-T57 VanDerWaalsContact C-N 3.26Å; T55-T57 PolarHBondContact O-N 3.07Å; T55-R58 PolarHBondContact O-N 2.91Å; T55-R58 PolarHBondContact OG1-NH2 3.05Å; T55-F59 HydrophobicContact CG2-CD2 3.71Å; T55-F59 HydrophobicContact CG2-CE2 3.75Å; T55-F59 VanDerWaalsContact O-CD2 3.26Å; T55-F59 WeakPolarHBondContact O-CD2 3.35Å; T55-F59 PolarHBondContact O-N 3.24Å; T55-F59 VanDerWaalsContact O-N 3.1Å; T55-L74 HydrophobicContact CG2-CD1 3.58Å
56I98.4Very high96.6Very high4 Ų443.8 Ų43.82%0.02124%0.239CC..Hα-helixtrans-55-45.4178.5-65.7-65.6000110.7K29 L32 A50 C52 D53 L60 L74K29-I56 HydrophobicContact CB-CG2 4.01Å; K29-I56 HydrophobicContact CG-CG2 4.04Å; L32-I56 HydrophobicContact CB-CD1 4.39Å; L32-I56 HydrophobicContact CB-CG2 4.35Å; L32-I56 HydrophobicContact CD2-CD1 4.08Å; L32-I56 HydrophobicContact CD2-CG2 4.2Å; L32-I56 HydrophobicContact CG-CD1 3.82Å; A50-I56 WeakPolarHBondContact O-CD1 3.49Å; C52-I56 WeakPolarHBondContact O-CG1 3.5Å; C52-I56 PolarHBondContact O-N 3.4Å; D53-I56 PolarHBondContact O-N 2.97Å; I56-L60 HydrophobicContact CG2-CD1 4.03Å; I56-L60 WeakPolarHBondContact O-CB 3.38Å; I56-L60 WeakPolarHBondContact O-CG 3.35Å; I56-L60 PolarHBondContact O-N 2.69Å; I56-L60 VanDerWaalsContact O-N 3.1Å; I56-L74 HydrophobicContact CD1-CD2 4.36Å
57T97.1Very high96.8Very high39 Ų3942.7 Ų42.724%0.23923%0.234CC..Hα-helixtrans-60.4-51.7178.4-57.40000111.7K29 D53 D54 T55 F59 L60 V61K29-T57 WeakPolarHBondContact CE-OG1 3.43Å; K29-T57 PolarHBondContact NZ-OG1 3.4Å; D53-T57 VanDerWaalsContact O-CB 3.27Å; D53-T57 WeakPolarHBondContact O-CB 3.47Å; D53-T57 PolarHBondContact O-N 3.15Å; D53-T57 PolarHBondContact O-OG1 3.41Å; D54-T57 PolarHBondContact O-N 2.93Å; T55-T57 VanDerWaalsContact C-N 3.26Å; T55-T57 PolarHBondContact O-N 3.07Å; T57-F59 PolarHBondContact O-N 3.42Å; T57-L60 PolarHBondContact O-N 3.45Å; T57-V61 HydrophobicContact CG2-CG2 4.3Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.48Å; T57-V61 PolarHBondContact O-N 2.95Å
58R96.5Very high97Very high13 Ų1345.8 Ų45.85%0.04924%0.243CC..Hα-helixtrans-61.9-42.1-176.4-73.6-166.5-54.1-100.1-27.1113D54 T55 V61 A62 P186 E187D54-R58 WeakPolarHBondContact O-CG 3.49Å; D54-R58 PolarHBondContact O-N 3.38Å; D54-R58 VanDerWaalsContact O-N 3.07Å; D54-R58 IonicContact OD1-CZ 2.76Å; D54-R58 IonicContact OD1-NH1 3.01Å; D54-R58 PolarHBondContact OD1-NH1 3.07Å; D54-R58 IonicContact OD1-NH2 3.16Å; D54-R58 IonicContact OD2-CZ 3.9Å; D54-R58 IonicContact OD2-NH1 3.04Å; D54-R58 PolarHBondContact OD2-NH1 3.3Å; D54-R58 IonicContact OD2-NH2 3.28Å; D54-R58 PolarHBondContact OD2-NH2 2.89Å; T55-R58 PolarHBondContact O-N 2.91Å; T55-R58 PolarHBondContact OG1-NH2 3.05Å; R58-V61 PolarHBondContact O-N 3.14Å; R58-A62 WeakPolarHBondContact O-CB 3.45Å; R58-A62 PolarHBondContact O-N 3.25Å; R58-P186 WeakPolarHBondContact CD-O 3.49Å; R58-E187 HydrophobicContact CB-CB 4.11Å; R58-E187 HydrophobicContact CG-CB 3.98Å
59F98.1Very high97.1Very high2 Ų243.9 Ų43.91%0.00923%0.232CC..Hα-helixtrans-71.2-36-178.9-80-103.9000112L32 T55 T57 R63 A70 Q73 L74 A77 P186L32-F59 HydrophobicContact CD2-CB 4.47Å; T55-F59 HydrophobicContact CG2-CD2 3.71Å; T55-F59 HydrophobicContact CG2-CE2 3.75Å; T55-F59 VanDerWaalsContact O-CD2 3.26Å; T55-F59 WeakPolarHBondContact O-CD2 3.35Å; T55-F59 PolarHBondContact O-N 3.24Å; T55-F59 VanDerWaalsContact O-N 3.1Å; T57-F59 PolarHBondContact O-N 3.42Å; F59-R63 PolarHBondContact O-N 3.32Å; F59-A70 WeakPolarHBondContact O-CB 3.49Å; F59-Q73 HydrophobicContact CD1-CB 3.99Å; F59-Q73 HydrophobicContact CD1-CG 3.88Å; F59-Q73 HydrophobicContact CE1-CB 4.24Å; F59-Q73 HydrophobicContact CE1-CG 3.76Å; F59-L74 VanDerWaalsContact CD1-CA 3.47Å; F59-L74 HydrophobicContact CD1-CB 3.72Å; F59-L74 HydrophobicContact CD1-CD1 4.18Å; F59-L74 HydrophobicContact CD2-CD1 4.15Å; F59-L74 HydrophobicContact CE1-CB 4.08Å; F59-L74 HydrophobicContact CE1-CD1 4.12Å; F59-L74 HydrophobicContact CE2-CD1 4.08Å; F59-L74 HydrophobicContact CG-CB 4.2Å; F59-L74 HydrophobicContact CG-CD1 4.19Å; F59-L74 HydrophobicContact CZ-CD1 4.07Å; F59-A77 HydrophobicContact CE1-CB 3.75Å; F59-A77 HydrophobicContact CZ-CB 3.52Å; F59-P186 HydrophobicContact CD1-CG 4.02Å; F59-P186 HydrophobicContact CD2-CG 3.73Å; F59-P186 HydrophobicContact CE1-CG 3.88Å; F59-P186 HydrophobicContact CE2-CG 3.61Å; F59-P186 HydrophobicContact CG-CG 3.96Å; F59-P186 HydrophobicContact CZ-CG 3.69Å
60L98.2Very high97.2Very high0 Ų043.1 Ų43.10%023%0.229CC..Hα-helixtrans-62.5-51.2170.5-77.7170.5000111.6L28 K29 L32 I56 T57 A62 R63 N64 Y65 V67 A70L28-L60 HydrophobicContact CB-CD1 4.41Å; K29-L60 HydrophobicContact CB-CD1 4.34Å; K29-L60 HydrophobicContact CG-CD1 3.8Å; L32-L60 HydrophobicContact CB-CD2 4.36Å; L32-L60 HydrophobicContact CD2-CD1 4.36Å; L32-L60 HydrophobicContact CD2-CD2 4.02Å; L32-L60 HydrophobicContact CD2-CG 3.7Å; I56-L60 HydrophobicContact CG2-CD1 4.03Å; I56-L60 WeakPolarHBondContact O-CB 3.38Å; I56-L60 WeakPolarHBondContact O-CG 3.35Å; I56-L60 PolarHBondContact O-N 2.69Å; I56-L60 VanDerWaalsContact O-N 3.1Å; T57-L60 PolarHBondContact O-N 3.45Å; L60-A62 VanDerWaalsContact C-N 3.32Å; L60-A62 PolarHBondContact O-N 3.32Å; L60-R63 CarbonylContact O-C 3.51Å; L60-R63 PolarHBondContact O-N 3.37Å; L60-R63 VanDerWaalsContact O-N 3.12Å; L60-N64 PolarHBondContact O-N 3.44Å; L60-N64 VanDerWaalsContact O-N 3.15Å; L60-Y65 HydrophobicContact CB-CD1 3.95Å; L60-Y65 HydrophobicContact CB-CE1 4.24Å; L60-Y65 WeakPolarHBondContact O-CA 3.38Å; L60-Y65 PolarHBondContact O-N 3.17Å; L60-V67 HydrophobicContact CD2-CG2 4.06Å; L60-A70 HydrophobicContact CD2-CB 4.02Å
61V95.7Very high97.2Very high49 Ų4944.3 Ų44.330%0.29723%0.232SC..Hα-helixtrans-58.7-45.3-178.6174.10000110.9T57 R58 R63 N64 Y65 E187T57-V61 HydrophobicContact CG2-CG2 4.3Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.48Å; T57-V61 PolarHBondContact O-N 2.95Å; R58-V61 PolarHBondContact O-N 3.14Å; V61-R63 PolarHBondContact O-N 2.98Å; V61-N64 PolarHBondContact O-N 2.88Å; V61-N64 VanDerWaalsContact O-N 3.08Å; V61-Y65 HydrophobicContact CG2-CE2 4.25Å; V61-E187 HydrophobicContact CB-CG 4.02Å; V61-E187 HydrophobicContact CG1-CG 3.7Å
62A95.1Very high97.2Very high26 Ų2648.1 Ų48.122%0.21525%0.246CC..Hα-helixtrans-63.5-25179.700000114.4R58 L60 P186 E187R58-A62 WeakPolarHBondContact O-CB 3.45Å; R58-A62 PolarHBondContact O-N 3.25Å; L60-A62 VanDerWaalsContact C-N 3.32Å; L60-A62 PolarHBondContact O-N 3.32Å; A62-P186 HydrophobicContact CB-CB 3.4Å; A62-P186 VanDerWaalsContact CB-CB 3.4Å; A62-P186 HydrophobicContact CB-CG 4.4Å; A62-E187 HydrophobicContact CB-CG 4.28Å
63R96.3Very high97.4Very high90 Ų9046.5 Ų46.534%0.3423%0.234SC..THydrogen-bonded Turntrans-107.526176.2-58.4-61.6169.3-171.6-1.7112.7F59 L60 V61 Y65 V66 D69 A70 Q73F59-R63 PolarHBondContact O-N 3.32Å; L60-R63 CarbonylContact O-C 3.51Å; L60-R63 PolarHBondContact O-N 3.37Å; L60-R63 VanDerWaalsContact O-N 3.12Å; V61-R63 PolarHBondContact O-N 2.98Å; R63-Y65 PolarHBondContact O-N 3.5Å; R63-Y65 VanDerWaalsContact O-N 3.16Å; R63-V66 WeakPolarHBondContact O-CB 3.43Å; R63-V66 PolarHBondContact O-N 3.14Å; R63-D69 HydrophobicContact CB-CB 4.04Å; R63-D69 HydrophobicContact CG-CB 4.2Å; R63-A70 HydrophobicContact CB-CB 4.18Å; R63-A70 HydrophobicContact CG-CB 4.43Å; R63-Q73 VanDerWaalsContact NE-CD 3.32Å; R63-Q73 VanDerWaalsContact NH2-CD 3.26Å
64N95.1Very high97.5Very high116 Ų11641.9 Ų41.962%0.6221%0.209SC*.THydrogen-bonded Turntrans51.338.9176.3-58.2-78.2000112.6L60 V61 V66L60-N64 PolarHBondContact O-N 3.44Å; L60-N64 VanDerWaalsContact O-N 3.15Å; V61-N64 PolarHBondContact O-N 2.88Å; V61-N64 VanDerWaalsContact O-N 3.08Å; N64-V66 PolarHBondContact O-N 3.29Å
65Y97.3Very high97.6Very high67 Ų6744.6 Ų44.626%0.26322%0.22SC..THydrogen-bonded Turntrans62.719-179.3-63.6-90.5000115.3L20 I25 L28 L60 V61 R63 V67L20-Y65 HydrophobicContact CD1-CD1 3.94Å; L20-Y65 HydrophobicContact CD1-CD2 3.72Å; L20-Y65 HydrophobicContact CD1-CE2 4.34Å; L20-Y65 HydrophobicContact CD1-CG 3.49Å; L20-Y65 VanDerWaalsContact CD1-CG 3.49Å; I25-Y65 HydrophobicContact CG1-CE1 4.05Å; I25-Y65 HydrophobicContact CG2-CE1 4.1Å; L28-Y65 HydrophobicContact CD1-CD1 4.25Å; L28-Y65 HydrophobicContact CD1-CG 4.49Å; L60-Y65 HydrophobicContact CB-CD1 3.95Å; L60-Y65 HydrophobicContact CB-CE1 4.24Å; L60-Y65 WeakPolarHBondContact O-CA 3.38Å; L60-Y65 PolarHBondContact O-N 3.17Å; V61-Y65 HydrophobicContact CG2-CE2 4.25Å; R63-Y65 PolarHBondContact O-N 3.5Å; R63-Y65 VanDerWaalsContact O-N 3.16Å; Y65-V67 PolarHBondContact O-N 3.45Å
66V98.1Very high97.7Very high68 Ų6847.8 Ų47.841%0.41224%0.239SC..  trans-81.3104.8169-177.90000109R63 N64 E68 D69 A70R63-V66 WeakPolarHBondContact O-CB 3.43Å; R63-V66 PolarHBondContact O-N 3.14Å; N64-V66 PolarHBondContact O-N 3.29Å; V66-E68 PolarHBondContact O-N 3.25Å; V66-D69 HydrophobicContact CB-CB 4.27Å; V66-D69 HydrophobicContact CG1-CB 4.08Å; V66-D69 PolarHBondContact O-N 3.42Å; V66-A70 WeakPolarHBondContact O-CB 3.49Å; V66-A70 PolarHBondContact O-N 3.36Å
67V98.6Very high97.7Very high9 Ų947.6 Ų47.66%0.05524%0.238CC..Hα-helixtrans-58.6-44.6-171.8173.40000112.6L28 E31 L32 L35 L60 Y65 D69 A70 F71L28-V67 HydrophobicContact CB-CG2 4.24Å; L28-V67 HydrophobicContact CD2-CG2 3.7Å; E31-V67 HydrophobicContact CB-CG1 4.36Å; E31-V67 HydrophobicContact CB-CG2 4.39Å; E31-V67 HydrophobicContact CG-CG1 3.97Å; E31-V67 HydrophobicContact CG-CG2 4.49Å; L32-V67 HydrophobicContact CB-CG1 4.3Å; L35-V67 HydrophobicContact CD1-CG1 3.47Å; L35-V67 VanDerWaalsContact CD1-CG1 3.47Å; L60-V67 HydrophobicContact CD2-CG2 4.06Å; Y65-V67 PolarHBondContact O-N 3.45Å; V67-D69 VanDerWaalsContact C-N 3.34Å; V67-D69 PolarHBondContact O-N 3.21Å; V67-A70 PolarHBondContact O-N 2.86Å; V67-F71 WeakPolarHBondContact O-CB 3.45Å; V67-F71 PolarHBondContact O-N 3.47Å
68E98.5Very high97.7Very high135 Ų13546 Ų4663%0.63123%0.228SC*.Hα-helixtrans-61.2-41.7179.9-67.2-174.1179.100112.6V66 F71 K72V66-E68 PolarHBondContact O-N 3.25Å; E68-F71 PolarHBondContact O-N 3.28Å; E68-K72 VanDerWaalsContact O-CG 3.3Å; E68-K72 WeakPolarHBondContact O-CG 3.42Å; E68-K72 PolarHBondContact O-N 2.99Å
69D98.5Very high97.8Very high67 Ų6749.6 Ų49.636%0.35825%0.246SC..Hα-helixtrans-74.2-37.3-180-71.3-15.2000111.4R63 V66 V67 F71 K72 Q73R63-D69 HydrophobicContact CB-CB 4.04Å; R63-D69 HydrophobicContact CG-CB 4.2Å; V66-D69 HydrophobicContact CB-CB 4.27Å; V66-D69 HydrophobicContact CG1-CB 4.08Å; V66-D69 PolarHBondContact O-N 3.42Å; V67-D69 VanDerWaalsContact C-N 3.34Å; V67-D69 PolarHBondContact O-N 3.21Å; D69-F71 VanDerWaalsContact C-N 3.32Å; D69-K72 PolarHBondContact O-N 2.92Å; D69-K72 IonicContact OD1-NZ 3.74Å; D69-K72 PolarHBondContact OD1-NZ 2.87Å; D69-Q73 PolarHBondContact O-N 3.12Å
70A98.6Very high97.8Very high0 Ų051.7 Ų51.70%025%0.253CS..Hα-helixtrans-60.3-43.3171.300000111.1L32 F59 L60 R63 V66 V67 Q73 L74L32-A70 HydrophobicContact CD1-CB 4.37Å; L32-A70 HydrophobicContact CD2-CB 3.88Å; F59-A70 WeakPolarHBondContact O-CB 3.49Å; L60-A70 HydrophobicContact CD2-CB 4.02Å; R63-A70 HydrophobicContact CB-CB 4.18Å; R63-A70 HydrophobicContact CG-CB 4.43Å; V66-A70 WeakPolarHBondContact O-CB 3.49Å; V66-A70 PolarHBondContact O-N 3.36Å; V67-A70 PolarHBondContact O-N 2.86Å; A70-Q73 PolarHBondContact O-N 2.98Å; A70-L74 VanDerWaalsContact O-CB 3.27Å; A70-L74 WeakPolarHBondContact O-CB 3.39Å; A70-L74 PolarHBondContact O-N 2.9Å
71F98.8Very high97.7Very high36 Ų3651.9 Ų51.916%0.15825%0.254CS..Hα-helixtrans-64.5-44176.7178-106.3000112.3L32 L35 N39 L40 V67 E68 D69 Q73 L74 K75L32-F71 HydrophobicContact CD1-CB 3.69Å; L32-F71 HydrophobicContact CD1-CD2 4.25Å; L32-F71 HydrophobicContact CD1-CG 4.48Å; L35-F71 HydrophobicContact CB-CD2 3.82Å; L35-F71 HydrophobicContact CB-CE2 4.16Å; L35-F71 HydrophobicContact CB-CG 4.31Å; L35-F71 HydrophobicContact CD1-CB 4.37Å; L35-F71 HydrophobicContact CD1-CG 4.46Å; N39-F71 HydrophobicContact CB-CE2 4.06Å; N39-F71 HydrophobicContact CB-CZ 3.54Å; L40-F71 HydrophobicContact CD1-CE2 4.08Å; L40-F71 HydrophobicContact CD2-CE2 4.21Å; L40-F71 HydrophobicContact CD2-CZ 4.24Å; L40-F71 HydrophobicContact CG-CE2 3.95Å; L40-F71 HydrophobicContact CG-CZ 4.4Å; V67-F71 WeakPolarHBondContact O-CB 3.45Å; V67-F71 PolarHBondContact O-N 3.47Å; E68-F71 PolarHBondContact O-N 3.28Å; D69-F71 VanDerWaalsContact C-N 3.32Å; F71-Q73 PolarHBondContact O-N 2.92Å; F71-L74 PolarHBondContact O-N 2.62Å; F71-K75 WeakPolarHBondContact O-CB 3.41Å; F71-K75 PolarHBondContact O-N 3.39Å
72K98.6Very high97.7Very high112 Ų11254 Ų5449%0.48726%0.257SS..Hα-helixtrans-57.5-47.8174.9-71.6167.2-157.5155.90111.3E68 D69 K75 T76E68-K72 VanDerWaalsContact O-CG 3.3Å; E68-K72 WeakPolarHBondContact O-CG 3.42Å; E68-K72 PolarHBondContact O-N 2.99Å; D69-K72 PolarHBondContact O-N 2.92Å; D69-K72 IonicContact OD1-NZ 3.74Å; D69-K72 PolarHBondContact OD1-NZ 2.87Å; K72-K75 PolarHBondContact O-N 2.81Å; K72-T76 PolarHBondContact O-N 3Å; K72-T76 VanDerWaalsContact O-N 3.09Å; K72-T76 PolarHBondContact O-OG1 3.36Å
73Q98.4Very high97.8Very high11 Ų1160.6 Ų60.65%0.05128%0.283CS..Hα-helixtrans-65-42.4178.2-169.9-175.315.300111.8F59 R63 D69 A70 F71 K75 T76 A77 A182 D183F59-Q73 HydrophobicContact CD1-CB 3.99Å; F59-Q73 HydrophobicContact CD1-CG 3.88Å; F59-Q73 HydrophobicContact CE1-CB 4.24Å; F59-Q73 HydrophobicContact CE1-CG 3.76Å; R63-Q73 VanDerWaalsContact NE-CD 3.32Å; R63-Q73 VanDerWaalsContact NH2-CD 3.26Å; D69-Q73 PolarHBondContact O-N 3.12Å; A70-Q73 PolarHBondContact O-N 2.98Å; F71-Q73 PolarHBondContact O-N 2.92Å; Q73-K75 VanDerWaalsContact C-N 3.33Å; Q73-K75 PolarHBondContact O-N 3.37Å; Q73-T76 PolarHBondContact O-N 3.19Å; Q73-A77 PolarHBondContact O-N 3.04Å; Q73-A182 PolarHBondContact NE2-O 2.94Å; Q73-D183 PolarHBondContact NE2-O 2.98Å
74L98.7Very high97.7Very high0 Ų059.3 Ų59.30%028%0.279CS..Hα-helixtrans-61.8-42178-179.458.9000111.5L32 A36 L40 F49 A50 T55 I56 F59 A70 F71 A77 V78L32-L74 HydrophobicContact CD1-CD2 4.41Å; A36-L74 HydrophobicContact CB-CD2 3.94Å; L40-L74 HydrophobicContact CD1-CD2 4.27Å; L40-L74 HydrophobicContact CD1-CG 4.06Å; F49-L74 HydrophobicContact CE1-CD1 4.2Å; A50-L74 HydrophobicContact CB-CD1 4.49Å; A50-L74 HydrophobicContact CB-CD2 4.48Å; T55-L74 HydrophobicContact CG2-CD1 3.58Å; I56-L74 HydrophobicContact CD1-CD2 4.36Å; F59-L74 VanDerWaalsContact CD1-CA 3.47Å; F59-L74 HydrophobicContact CD1-CB 3.72Å; F59-L74 HydrophobicContact CD1-CD1 4.18Å; F59-L74 HydrophobicContact CD2-CD1 4.15Å; F59-L74 HydrophobicContact CE1-CB 4.08Å; F59-L74 HydrophobicContact CE1-CD1 4.12Å; F59-L74 HydrophobicContact CE2-CD1 4.08Å; F59-L74 HydrophobicContact CG-CB 4.2Å; F59-L74 HydrophobicContact CG-CD1 4.19Å; F59-L74 HydrophobicContact CZ-CD1 4.07Å; A70-L74 VanDerWaalsContact O-CB 3.27Å; A70-L74 WeakPolarHBondContact O-CB 3.39Å; A70-L74 PolarHBondContact O-N 2.9Å; F71-L74 PolarHBondContact O-N 2.62Å; L74-A77 PolarHBondContact O-N 3.17Å; L74-V78 HydrophobicContact CD1-CG2 4.37Å; L74-V78 WeakPolarHBondContact O-CG2 3.19Å; L74-V78 PolarHBondContact O-N 3.26Å
75K98.5Very high97.7Very high92 Ų9259.4 Ų59.440%0.428%0.276SS..Hα-helixtrans-58.5-50.1174-180173.3174.6178.80111.3L40 F71 K72 Q73 A77 V78 E79L40-K75 HydrophobicContact CD2-CB 3.84Å; L40-K75 HydrophobicContact CD2-CD 4.29Å; L40-K75 HydrophobicContact CD2-CG 3.74Å; F71-K75 WeakPolarHBondContact O-CB 3.41Å; F71-K75 PolarHBondContact O-N 3.39Å; K72-K75 PolarHBondContact O-N 2.81Å; Q73-K75 VanDerWaalsContact C-N 3.33Å; Q73-K75 PolarHBondContact O-N 3.37Å; K75-A77 VanDerWaalsContact C-N 3.3Å; K75-A77 PolarHBondContact O-N 3.49Å; K75-V78 PolarHBondContact O-N 3.18Å; K75-E79 WeakPolarHBondContact CE-OE1 3.35Å; K75-E79 IonicContact NZ-OE1 2.77Å; K75-E79 WeakPolarHBondContact O-CG 3.43Å; K75-E79 PolarHBondContact O-N 3.08Å
76T98.2Very high97.6Very high68 Ų6856.3 Ų56.342%0.41726%0.264SS..Hα-helixtrans-57.5-42.8175.9-61.40000111.9K72 Q73 E79 W80K72-T76 PolarHBondContact O-N 3Å; K72-T76 VanDerWaalsContact O-N 3.09Å; K72-T76 PolarHBondContact O-OG1 3.36Å; Q73-T76 PolarHBondContact O-N 3.19Å; T76-E79 PolarHBondContact O-N 2.89Å; T76-W80 VanDerWaalsContact O-CB 3.32Å; T76-W80 WeakPolarHBondContact O-CB 3.45Å; T76-W80 PolarHBondContact O-N 3.15Å
77A98.2Very high97.3Very high0 Ų053.8 Ų53.80%025%0.248CC..Hα-helixtrans-64.2-43.4176.800000111.8F59 Q73 L74 K75 W80 R81F59-A77 HydrophobicContact CE1-CB 3.75Å; F59-A77 HydrophobicContact CZ-CB 3.52Å; Q73-A77 PolarHBondContact O-N 3.04Å; L74-A77 PolarHBondContact O-N 3.17Å; K75-A77 VanDerWaalsContact C-N 3.3Å; K75-A77 PolarHBondContact O-N 3.49Å; A77-W80 PolarHBondContact O-N 3.22Å; A77-R81 WeakPolarHBondContact O-CB 3.15Å; A77-R81 VanDerWaalsContact O-CG 3.22Å; A77-R81 WeakPolarHBondContact O-CG 3.44Å; A77-R81 PolarHBondContact O-N 3.01Å
78V98.4Very high96.8Very high4 Ų455.4 Ų55.42%0.02426%0.258CS..Hα-helixtrans-63.5-43.8177.4168.70000111.8L40 L43 F49 A50 L74 K75 R81 R82L40-V78 HydrophobicContact CD1-CG2 4.13Å; L43-V78 HydrophobicContact CD2-CG1 4.33Å; L43-V78 HydrophobicContact CG-CG1 4.25Å; F49-V78 HydrophobicContact CD1-CG2 3.88Å; F49-V78 HydrophobicContact CE1-CG2 3.95Å; A50-V78 HydrophobicContact CB-CG2 3.84Å; L74-V78 HydrophobicContact CD1-CG2 4.37Å; L74-V78 WeakPolarHBondContact O-CG2 3.19Å; L74-V78 PolarHBondContact O-N 3.26Å; K75-V78 PolarHBondContact O-N 3.18Å; V78-R81 PolarHBondContact O-N 3.37Å; V78-R82 PolarHBondContact O-N 3.36Å
79E97.7Very high96.4Very high90 Ų9050.6 Ų50.642%0.42124%0.236SC..Hα-helixtrans-61.3-48.2175.6-71.7168.717200110.8K75 T76 R81 R82 E83K75-E79 WeakPolarHBondContact CE-OE1 3.35Å; K75-E79 IonicContact NZ-OE1 2.77Å; K75-E79 WeakPolarHBondContact O-CG 3.43Å; K75-E79 PolarHBondContact O-N 3.08Å; T76-E79 PolarHBondContact O-N 2.89Å; E79-R81 PolarHBondContact O-N 3.08Å; E79-R82 WeakPolarHBondContact O-CB 3.31Å; E79-R82 PolarHBondContact O-N 3.19Å; E79-R82 VanDerWaalsContact O-N 3.16Å; E79-E83 PolarHBondContact O-N 3.01Å; E79-E83 VanDerWaalsContact O-N 3.15Å
80W97.4Very high96Very high46 Ų4650.8 Ų50.817%0.17424%0.235CC..Hα-helixtrans-58.9-44.3175.2176.882.7000112.3T76 A77 R82 E83 Y84 P86 V138 T180 C184 Y185T76-W80 VanDerWaalsContact O-CB 3.32Å; T76-W80 WeakPolarHBondContact O-CB 3.45Å; T76-W80 PolarHBondContact O-N 3.15Å; A77-W80 PolarHBondContact O-N 3.22Å; W80-R82 VanDerWaalsContact C-N 3.29Å; W80-R82 PolarHBondContact O-N 3.25Å; W80-E83 PolarHBondContact O-N 2.95Å; W80-Y84 HydrophobicContact CD2-CG 4.45Å; W80-Y84 AromaticContact CE2-CD1 3.92Å; W80-Y84 AromaticContact CE2-CG 3.58Å; W80-Y84 AromaticContact CH2-CD1 3.56Å; W80-Y84 HydrophobicContact CH2-CD1 3.56Å; W80-Y84 HydrophobicContact CH2-CE1 4.1Å; W80-Y84 HydrophobicContact CH2-CG 4.08Å; W80-Y84 AromaticContact CZ2-CD1 3.21Å; W80-Y84 HydrophobicContact CZ2-CD1 3.21Å; W80-Y84 AromaticContact CZ2-CD2 3.98Å; W80-Y84 HydrophobicContact CZ2-CD2 3.98Å; W80-Y84 AromaticContact CZ2-CE1 3.68Å; W80-Y84 HydrophobicContact CZ2-CE1 3.68Å; W80-Y84 HydrophobicContact CZ2-CE2 4.38Å; W80-Y84 AromaticContact CZ2-CG 3.38Å; W80-Y84 HydrophobicContact CZ2-CG 3.38Å; W80-Y84 AromaticContact NE1-CD2 3.78Å; W80-Y84 AromaticContact NE1-CG 3.76Å; W80-Y84 WeakPolarHBondContact O-CB 3.26Å; W80-Y84 PolarHBondContact O-N 2.82Å; W80-P86 HydrophobicContact CH2-CB 4.03Å; W80-P86 HydrophobicContact CH2-CG 4.4Å; W80-P86 HydrophobicContact CZ3-CB 4.06Å; W80-P86 HydrophobicContact CZ3-CG 3.96Å; W80-V138 HydrophobicContact CH2-CG1 3.95Å; W80-V138 HydrophobicContact CH2-CG2 3.76Å; W80-V138 HydrophobicContact CZ2-CG2 4.05Å; W80-T180 HydrophobicContact CZ2-CG2 4.1Å; W80-C184 HydrophobicContact CD2-CB 4.3Å; W80-C184 HydrophobicContact CE3-CB 3.84Å; W80-C184 VanDerWaalsContact CE3-SG 3.59Å; W80-C184 HydrophobicContact CZ3-CB 4.09Å; W80-Y185 AromaticContact CH2-CE2 3.9Å; W80-Y185 HydrophobicContact CH2-CE2 3.9Å; W80-Y185 AromaticContact CZ3-CE2 3.91Å; W80-Y185 HydrophobicContact CZ3-CE2 3.91Å
81R97.4Very high95.6Very high4 Ų450.9 Ų50.92%0.01524%0.235CC..Hα-helixtrans-64-34.7178.3-70.7-174.481.985.4-6.3112.1L43 E46 F49 A77 V78 E79 Q85 P86 E142 Y185L43-R81 HydrophobicContact CD1-CB 3.8Å; L43-R81 HydrophobicContact CD2-CB 4.25Å; E46-R81 IonicContact OE1-CZ 3.06Å; E46-R81 IonicContact OE1-NE 3.53Å; E46-R81 PolarHBondContact OE1-NE 3.29Å; E46-R81 IonicContact OE1-NH2 3.68Å; E46-R81 PolarHBondContact OE1-NH2 3.08Å; E46-R81 VanDerWaalsContact OE1-NH2 3.16Å; E46-R81 IonicContact OE2-CZ 2.75Å; E46-R81 VanDerWaalsContact OE2-CZ 3.28Å; E46-R81 IonicContact OE2-NE 3.21Å; E46-R81 PolarHBondContact OE2-NE 2.87Å; E46-R81 IonicContact OE2-NH2 2.76Å; E46-R81 PolarHBondContact OE2-NH2 3.3Å; F49-R81 VanDerWaalsContact CE2-CD 3.47Å; A77-R81 WeakPolarHBondContact O-CB 3.15Å; A77-R81 VanDerWaalsContact O-CG 3.22Å; A77-R81 WeakPolarHBondContact O-CG 3.44Å; A77-R81 PolarHBondContact O-N 3.01Å; V78-R81 PolarHBondContact O-N 3.37Å; E79-R81 PolarHBondContact O-N 3.08Å; R81-Q85 WeakPolarHBondContact O-CA 3.45Å; R81-Q85 PolarHBondContact O-N 3.12Å; R81-P86 HydrophobicContact CB-CG 4.25Å; R81-P86 HydrophobicContact CG-CG 3.95Å; R81-P86 VanDerWaalsContact CZ-CG 3.46Å; R81-P86 WeakPolarHBondContact O-CD 3.4Å; R81-E142 IonicContact CZ-OE1 2.63Å; R81-E142 VanDerWaalsContact CZ-OE1 3.28Å; R81-E142 IonicContact CZ-OE2 2.78Å; R81-E142 IonicContact NH1-OE1 3.98Å; R81-E142 PolarHBondContact NH1-OE1 3.45Å; R81-E142 IonicContact NH2-OE1 3.94Å; R81-E142 PolarHBondContact NH2-OE1 3.07Å; R81-E142 IonicContact NH2-OE2 2.91Å; R81-E142 PolarHBondContact NH2-OE2 3.11Å; R81-Y185 PolarHBondContact NH1-OH 3.07Å
82R96.3Very high95.1Very high92 Ų9255 Ų5535%0.34725%0.253SS..Hα-helixtrans-64.6-43.1177.3-168.4179.1-53.6-75-8.9111.8T41 P42 L43 V78 E79 W80T41-R82 PolarHBondContact O-NH2 2.95Å; P42-R82 PolarHBondContact O-NH1 2.95Å; P42-R82 VanDerWaalsContact O-NH1 3.17Å; L43-R82 HydrophobicContact CD2-CB 3.77Å; L43-R82 HydrophobicContact CD2-CG 4.38Å; V78-R82 PolarHBondContact O-N 3.36Å; E79-R82 WeakPolarHBondContact O-CB 3.31Å; E79-R82 PolarHBondContact O-N 3.19Å; E79-R82 VanDerWaalsContact O-N 3.16Å; W80-R82 VanDerWaalsContact C-N 3.29Å; W80-R82 PolarHBondContact O-N 3.25Å
83E96Very high94.5Very high166 Ų16652.7 Ų52.778%0.77624%0.241SC*.Hα-helixtrans-79.6-46.3-179.3-65.8-178.8173.500112.3E79 W80E79-E83 PolarHBondContact O-N 3.01Å; E79-E83 VanDerWaalsContact O-N 3.15Å; W80-E83 PolarHBondContact O-N 2.95Å
84Y95.3Very high94.2Very high63 Ų6352.1 Ų52.125%0.24724%0.239CC..Hα-helixtrans-80.1-23.8-173.4-161.3-95.9000113.5W80 P86 I89 C135 V138W80-Y84 HydrophobicContact CD2-CG 4.45Å; W80-Y84 AromaticContact CE2-CD1 3.92Å; W80-Y84 AromaticContact CE2-CG 3.58Å; W80-Y84 AromaticContact CH2-CD1 3.56Å; W80-Y84 HydrophobicContact CH2-CD1 3.56Å; W80-Y84 HydrophobicContact CH2-CE1 4.1Å; W80-Y84 HydrophobicContact CH2-CG 4.08Å; W80-Y84 AromaticContact CZ2-CD1 3.21Å; W80-Y84 HydrophobicContact CZ2-CD1 3.21Å; W80-Y84 AromaticContact CZ2-CD2 3.98Å; W80-Y84 HydrophobicContact CZ2-CD2 3.98Å; W80-Y84 AromaticContact CZ2-CE1 3.68Å; W80-Y84 HydrophobicContact CZ2-CE1 3.68Å; W80-Y84 HydrophobicContact CZ2-CE2 4.38Å; W80-Y84 AromaticContact CZ2-CG 3.38Å; W80-Y84 HydrophobicContact CZ2-CG 3.38Å; W80-Y84 AromaticContact NE1-CD2 3.78Å; W80-Y84 AromaticContact NE1-CG 3.76Å; W80-Y84 WeakPolarHBondContact O-CB 3.26Å; W80-Y84 PolarHBondContact O-N 2.82Å; Y84-P86 HydrophobicContact CD1-CB 4.44Å; Y84-I89 HydrophobicContact CE1-CD1 4.12Å; Y84-I89 HydrophobicContact CE1-CG1 4.14Å; Y84-C135 WeakPolarHBondContact OH-CA 3.45Å; Y84-C135 WeakPolarHBondContact OH-CB 3.4Å; Y84-C135 PolarHBondContact OH-N 2.93Å; Y84-V138 HydrophobicContact CD1-CG1 4.31Å; Y84-V138 HydrophobicContact CE1-CB 4.19Å; Y84-V138 HydrophobicContact CE1-CG1 3.94Å; Y84-V138 HydrophobicContact CE1-CG2 4.13Å
85Q94.7Very high93.8Very high118 Ų11854.3 Ų54.355%0.55125%0.249SC*.  trans50.459179.4-57.3-176-1.200113.4R81 L87 T88 I89R81-Q85 WeakPolarHBondContact O-CA 3.45Å; R81-Q85 PolarHBondContact O-N 3.12Å; Q85-L87 PolarHBondContact O-N 2.76Å; Q85-L87 VanDerWaalsContact O-N 3.11Å; Q85-T88 PolarHBondContact O-N 3.47Å; Q85-T88 VanDerWaalsContact O-N 3.08Å; Q85-T88 PolarHBondContact O-OG1 2.83Å; Q85-I89 PolarHBondContact O-N 3.11Å; Q85-I89 VanDerWaalsContact O-N 3.16Å
86P95Very high93.4Very high2 Ų253.9 Ų53.91%0.01325%0.248CC..THydrogen-bonded Turntrans-63.1-23.8-173.330.8-39.5000113.2W80 R81 Y84 T88 I89 V138 E142W80-P86 HydrophobicContact CH2-CB 4.03Å; W80-P86 HydrophobicContact CH2-CG 4.4Å; W80-P86 HydrophobicContact CZ3-CB 4.06Å; W80-P86 HydrophobicContact CZ3-CG 3.96Å; R81-P86 HydrophobicContact CB-CG 4.25Å; R81-P86 HydrophobicContact CG-CG 3.95Å; R81-P86 VanDerWaalsContact CZ-CG 3.46Å; R81-P86 WeakPolarHBondContact O-CD 3.4Å; Y84-P86 HydrophobicContact CD1-CB 4.44Å; P86-T88 VanDerWaalsContact C-N 3.29Å; P86-T88 PolarHBondContact O-N 2.85Å; P86-I89 WeakPolarHBondContact O-CG2 3.46Å; P86-V138 HydrophobicContact CB-CG1 3.38Å; P86-E142 HydrophobicContact CB-CG 3.9Å
87L91.1Very high92.8Very high14 Ų1452.2 Ų52.27%0.07324%0.238CC..THydrogen-bonded Turntrans-68.4-24.6177-67.1178.8000113.8N45 E46 Q85 E142 R146 Y329N45-L87 HydrophobicContact CB-CD1 3.81Å; E46-L87 HydrophobicContact CB-CD1 3.84Å; E46-L87 HydrophobicContact CG-CD1 3.73Å; Q85-L87 PolarHBondContact O-N 2.76Å; Q85-L87 VanDerWaalsContact O-N 3.11Å; L87-E142 WeakPolarHBondContact CD2-OE2 3.44Å; L87-R146 VanDerWaalsContact CD2-NH2 3.3Å; L87-Y329 WeakPolarHBondContact O-CE2 3.26Å; L87-Y329 PolarHBondContact O-OH 3.45Å
88T88.3Confident92.4Very high44 Ų4452.3 Ų52.327%0.2724%0.239SC..THydrogen-bonded Turntrans-117.1-0.3-177.347.60000112.8Q85 P86 Y334Q85-T88 PolarHBondContact O-N 3.47Å; Q85-T88 VanDerWaalsContact O-N 3.08Å; Q85-T88 PolarHBondContact O-OG1 2.83Å; P86-T88 VanDerWaalsContact C-N 3.29Å; P86-T88 PolarHBondContact O-N 2.85Å; T88-Y334 HydrophobicContact CG2-CE1 3.79Å
89I91Very high91.9Very high34 Ų3452.4 Ų52.417%0.17424%0.24CC..  trans-54.8144.3179.3-162.565.1000110.9Y84 Q85 P86 C135 V138 Y139Y84-I89 HydrophobicContact CE1-CD1 4.12Å; Y84-I89 HydrophobicContact CE1-CG1 4.14Å; Q85-I89 PolarHBondContact O-N 3.11Å; Q85-I89 VanDerWaalsContact O-N 3.16Å; P86-I89 WeakPolarHBondContact O-CG2 3.46Å; I89-C135 VanDerWaalsContact CG1-SG 3.51Å; I89-V138 HydrophobicContact CG2-CG1 4.16Å; I89-Y139 HydrophobicContact CG2-CD2 4.44Å; I89-Y139 WeakPolarHBondContact O-CD2 3.39Å
90Q89.7Confident91.4Very high71 Ų7148.1 Ų48.133%0.33222%0.221SC..  trans-128.6135.2173.5-63.6-57.6-42.600109.3K92 H95 C135Q90-K92 PolarHBondContact O-N 3.37Å; Q90-H95 PolarHBondContact OE1-NE2 3.43Å; Q90-C135 PolarHBondContact O-SG 2.78Å
91C90.1Very high91.1Very high1 Ų146.6 Ų46.61%0.00722%0.215CC..  trans-75.197.8174.5-174.70000109.8W93 C94 H95 H136C91-W93 PolarHBondContact O-N 3.19Å; C91-C94 HydrophobicContact CB-CB 4.02Å; C91-C94 PolarHBondContact O-N 3.08Å; C91-C94 VanDerWaalsContact O-N 3.11Å; C91-H95 PolarHBondContact O-CD2 3.32Å; C91-H95 PolarHBondContact O-N 3.32Å; C91-H136 HydrophobicContact CB-CB 4.43Å
92K88.5Confident90.8Very high124 Ų12446.6 Ų46.654%0.53922%0.216SC..Hα-helixtrans-49.3-45.1178.1-179.2-178.1175.4-175.10112.4Q90 C94 H95 E96Q90-K92 PolarHBondContact O-N 3.37Å; K92-C94 PolarHBondContact O-N 3.5Å; K92-H95 PolarHBondContact O-N 3.49Å; K92-E96 WeakPolarHBondContact CE-OE1 3.39Å; K92-E96 WeakPolarHBondContact CE-OE2 3.39Å; K92-E96 HydrophobicContact CG-CG 4.23Å; K92-E96 WeakPolarHBondContact CG-OE1 3.5Å; K92-E96 IonicContact NZ-OE1 2.87Å; K92-E96 WeakPolarHBondContact O-CB 3.48Å; K92-E96 WeakPolarHBondContact O-CG 3.43Å; K92-E96 PolarHBondContact O-N 2.78Å
93W86.4Confident90.8Very high62 Ų6243.3 Ų43.324%0.23521%0.206CC..Hα-helixtrans-67.5-35.8-178.7-7597.8000114C91 H95 E96 T97 F100 D132C91-W93 PolarHBondContact O-N 3.19Å; W93-H95 VanDerWaalsContact C-N 3.33Å; W93-E96 PolarHBondContact O-N 3.49Å; W93-T97 CarbonylContact O-C 3.48Å; W93-T97 WeakPolarHBondContact O-CA 3.39Å; W93-T97 PolarHBondContact O-N 3.45Å; W93-T97 VanDerWaalsContact O-O 3.07Å; W93-F100 HydrophobicContact CB-CB 4.25Å; W93-F100 HydrophobicContact CB-CD1 3.61Å; W93-F100 HydrophobicContact CB-CD2 4.41Å; W93-F100 HydrophobicContact CB-CE1 3.97Å; W93-F100 HydrophobicContact CB-CG 3.85Å; W93-F100 HydrophobicContact CD2-CD2 4.37Å; W93-F100 HydrophobicContact CD2-CE1 4.27Å; W93-F100 HydrophobicContact CD2-CE2 4.04Å; W93-F100 AromaticContact CD2-CZ 3.99Å; W93-F100 HydrophobicContact CD2-CZ 3.99Å; W93-F100 AromaticContact CE3-CD2 3.83Å; W93-F100 HydrophobicContact CE3-CD2 3.83Å; W93-F100 AromaticContact CE3-CE2 3.63Å; W93-F100 HydrophobicContact CE3-CE2 3.63Å; W93-F100 HydrophobicContact CE3-CG 4.41Å; W93-F100 HydrophobicContact CE3-CZ 4.07Å; W93-F100 HydrophobicContact CG-CD1 4.12Å; W93-F100 AromaticContact CG-CE1 3.98Å; W93-F100 HydrophobicContact CG-CE1 3.98Å; W93-F100 HydrophobicContact CG-CG 4.44Å; W93-F100 HydrophobicContact CG-CZ 4.19Å; W93-F100 HydrophobicContact CZ3-CE2 4.07Å; W93-D132 VanDerWaalsContact CD1-OD2 3.27Å; W93-D132 PolarHBondContact NE1-OD1 3.13Å; W93-D132 VanDerWaalsContact NE1-OD1 3.11Å; W93-D132 PolarHBondContact NE1-OD2 3.19Å
94C90.7Very high90.8Very high0 Ų035.4 Ų35.40%017%0.169CC..Hα-helixtrans-63.8-42.6173.8-70.30000110.4C91 K92 T341 N342C91-C94 HydrophobicContact CB-CB 4.02Å; C91-C94 PolarHBondContact O-N 3.08Å; C91-C94 VanDerWaalsContact O-N 3.11Å; K92-C94 PolarHBondContact O-N 3.5Å; C94-T341 HydrophobicContact CB-CG2 3.86Å; C94-N342 PolarHBondContact O-ND2 2.8Å
95H91Very high91Very high46 Ų4632.6 Ų32.621%0.21316%0.158CC..Hα-helixtrans-65.4-40.7175.4-70.4-60.2000113.5Q90 C91 K92 W93 T341 D345 K352Q90-H95 PolarHBondContact OE1-NE2 3.43Å; C91-H95 PolarHBondContact O-CD2 3.32Å; C91-H95 PolarHBondContact O-N 3.32Å; K92-H95 PolarHBondContact O-N 3.49Å; W93-H95 VanDerWaalsContact C-N 3.33Å; H95-T341 WeakPolarHBondContact CE1-CG2 3.31Å; H95-T341 WeakPolarHBondContact ND1-CG2 3.3Å; H95-T341 WeakPolarHBondContact NE2-CG2 3.42Å; H95-D345 IonicContact CE1-OD1 2.68Å; H95-D345 PolarHBondContact CE1-OD1 3.44Å; H95-D345 VanDerWaalsContact CE1-OD1 3.28Å; H95-D345 IonicContact CE1-OD2 3.92Å; H95-D345 IonicContact CG-OD2 3.76Å; H95-D345 VanDerWaalsContact ND1-CG 3.26Å; H95-D345 IonicContact ND1-OD1 2.9Å; H95-D345 PolarHBondContact ND1-OD1 3.27Å; H95-D345 IonicContact ND1-OD2 2.89Å; H95-D345 PolarHBondContact ND1-OD2 2.88Å; H95-K352 VanDerWaalsContact O-CD 3.32Å; H95-K352 WeakPolarHBondContact O-CD 3.38Å; H95-K352 WeakPolarHBondContact O-CG 3.27Å
96E89.2Confident91.2Very high82 Ų8227 Ų2738%0.38313%0.132SC..Hα-helixtrans-82.6-33.8-174.9-72.2-179.417600113.5K92 W93K92-E96 WeakPolarHBondContact CE-OE1 3.39Å; K92-E96 WeakPolarHBondContact CE-OE2 3.39Å; K92-E96 HydrophobicContact CG-CG 4.23Å; K92-E96 WeakPolarHBondContact CG-OE1 3.5Å; K92-E96 IonicContact NZ-OE1 2.87Å; K92-E96 WeakPolarHBondContact O-CB 3.48Å; K92-E96 WeakPolarHBondContact O-CG 3.43Å; K92-E96 PolarHBondContact O-N 2.78Å; W93-E96 PolarHBondContact O-N 3.49Å
97T87Confident91.3Very high34 Ų3426.9 Ų26.921%0.20913%0.131CC..SBendtrans-136.481.6-176.5-53.50000109W93 G99 F100W93-T97 CarbonylContact O-C 3.48Å; W93-T97 WeakPolarHBondContact O-CA 3.39Å; W93-T97 PolarHBondContact O-N 3.45Å; W93-T97 VanDerWaalsContact O-O 3.07Å; T97-G99 PolarHBondContact O-N 2.98Å; T97-F100 HydrophobicContact CG2-CB 4.35Å; T97-F100 HydrophobicContact CG2-CD2 4.17Å; T97-F100 WeakPolarHBondContact O-CB 3.44Å; T97-F100 PolarHBondContact O-N 3.46Å
98P89.5Confident91.7Very high1 Ų126.8 Ų26.81%0.00613%0.13CC..THydrogen-bonded Turntrans-56.2138.4178.4-26.635.3000112.8F100 W263 N342 I351 I354P98-F100 VanDerWaalsContact C-N 3.34Å; P98-W263 HydrophobicContact CB-CH2 3.97Å; P98-W263 HydrophobicContact CB-CZ2 3.77Å; P98-N342 WeakPolarHBondContact CA-OD1 3.27Å; P98-I351 HydrophobicContact CB-CD1 3.74Å; P98-I351 HydrophobicContact CB-CG1 4.24Å; P98-I351 HydrophobicContact CG-CD1 3.62Å; P98-I351 HydrophobicContact CG-CG1 3.95Å; P98-I354 HydrophobicContact CB-CG1 4.08Å; P98-I354 HydrophobicContact CG-CG1 4.45Å
99G87.3Confident92.2Very high6 Ų625.1 Ų25.16%0.06212%0.12CC..THydrogen-bonded Turntrans81.210.4-170.500000114.3T97 C123 Q124 W263 N342T97-G99 PolarHBondContact O-N 2.98Å; G99-C123 WeakPolarHBondContact O-CA 3.31Å; G99-Q124 PolarHBondContact O-N 2.93Å; G99-W263 VanDerWaalsContact CA-CZ3 3.48Å; G99-N342 PolarHBondContact N-OD1 3.44Å
100F87.8Confident92.4Very high1 Ų129.9 Ų29.90%0.00414%0.135CC..SBendtrans-65.4-47.2174.4-168.6-90.6000112.1W93 T97 P98 C123 Q124 K127 N128W93-F100 HydrophobicContact CB-CB 4.25Å; W93-F100 HydrophobicContact CB-CD1 3.61Å; W93-F100 HydrophobicContact CB-CD2 4.41Å; W93-F100 HydrophobicContact CB-CE1 3.97Å; W93-F100 HydrophobicContact CB-CG 3.85Å; W93-F100 HydrophobicContact CD2-CD2 4.37Å; W93-F100 HydrophobicContact CD2-CE1 4.27Å; W93-F100 HydrophobicContact CD2-CE2 4.04Å; W93-F100 AromaticContact CD2-CZ 3.99Å; W93-F100 HydrophobicContact CD2-CZ 3.99Å; W93-F100 AromaticContact CE3-CD2 3.83Å; W93-F100 HydrophobicContact CE3-CD2 3.83Å; W93-F100 AromaticContact CE3-CE2 3.63Å; W93-F100 HydrophobicContact CE3-CE2 3.63Å; W93-F100 HydrophobicContact CE3-CG 4.41Å; W93-F100 HydrophobicContact CE3-CZ 4.07Å; W93-F100 HydrophobicContact CG-CD1 4.12Å; W93-F100 AromaticContact CG-CE1 3.98Å; W93-F100 HydrophobicContact CG-CE1 3.98Å; W93-F100 HydrophobicContact CG-CG 4.44Å; W93-F100 HydrophobicContact CG-CZ 4.19Å; W93-F100 HydrophobicContact CZ3-CE2 4.07Å; T97-F100 HydrophobicContact CG2-CB 4.35Å; T97-F100 HydrophobicContact CG2-CD2 4.17Å; T97-F100 WeakPolarHBondContact O-CB 3.44Å; T97-F100 PolarHBondContact O-N 3.46Å; P98-F100 VanDerWaalsContact C-N 3.34Å; F100-C123 CarbonylContact O-C 3.33Å; F100-C123 WeakPolarHBondContact O-CB 3.31Å; F100-Q124 HydrophobicContact CD2-CB 3.73Å; F100-Q124 HydrophobicContact CE2-CB 4.21Å; F100-Q124 HydrophobicContact CG-CB 4.26Å; F100-Q124 PolarHBondContact O-N 3.04Å; F100-K127 HydrophobicContact CE2-CB 4Å; F100-K127 HydrophobicContact CZ-CB 4.14Å; F100-N128 WeakPolarHBondContact CE1-OD1 3.4Å; F100-N128 VanDerWaalsContact CZ-OD1 3.26Å; F100-N128 WeakPolarHBondContact CZ-OD1 3.48Å
101H90.6Very high92.8Very high13 Ų1331.7 Ų31.76%0.0614%0.144CC..  trans-109.9140.8171.3-61121.3000110.5H136 H340H101-H136 VanDerWaalsContact CB-CD2 3.41Å; H101-H136 WeakPolarHBondContact CB-CD2 3.47Å; H101-H136 VanDerWaalsContact CB-NE2 3.27Å; H101-H136 WeakPolarHBondContact CB-NE2 3.47Å; H101-H136 AromaticContact CE1-CG 3.88Å; H101-H136 AromaticContact CG-CD2 3.52Å; H101-H136 AromaticContact CG-CG 3.58Å; H101-H136 AromaticContact CG-NE2 3.9Å; H101-H136 AromaticContact ND1-CD2 3.75Å; H101-H136 AromaticContact ND1-CG 3.28Å; H101-H136 VanDerWaalsContact ND1-CG 3.28Å; H101-H136 AromaticContact ND1-ND1 3.58Å; H101-H340 PolarHBondContact O-NE2 2.91Å
102S91.7Very high93.1Very high4 Ų432.5 Ų32.53%0.02815%0.153CC..  trans-104.9-13.7178.661.40000113.8R104 C119 C123S102-R104 PolarHBondContact O-N 3.05Å; S102-R104 PolarHBondContact O-NH1 2.77Å; S102-C119 WeakPolarHBondContact CB-O 3.44Å; S102-C119 PolarHBondContact OG-N 3.49Å; S102-C119 PolarHBondContact OG-O 3.43Å; S102-C123 WeakPolarHBondContact OG-CB 3.47Å
103V95.4Very high93.6Very high24 Ų2428 Ų2815%0.14513%0.132CC..  trans-62.1125.8178.1-165.90000108.5M116 Y117 A118 H136 M137 L140 F157 H340V103-M116 HydrophobicContact CG1-CE 4.45Å; V103-Y117 WeakPolarHBondContact CA-O 3.36Å; V103-A118 HydrophobicContact CB-CB 4.1Å; V103-A118 HydrophobicContact CG1-CB 4.33Å; V103-A118 HydrophobicContact CG2-CB 3.68Å; V103-H136 PolarHBondContact O-NE2 3.32Å; V103-M137 HydrophobicContact CB-SD 4.46Å; V103-M137 HydrophobicContact CG1-SD 4.13Å; V103-M137 HydrophobicContact CG2-SD 4.28Å; V103-L140 HydrophobicContact CB-CD1 3.64Å; V103-L140 HydrophobicContact CG1-CD1 3.56Å; V103-L140 VanDerWaalsContact O-CD1 3.31Å; V103-L140 WeakPolarHBondContact O-CD1 3.11Å; V103-F157 HydrophobicContact CG1-CE1 4.39Å; V103-H340 PolarHBondContact O-CD2 3.37Å
104R97.1Very high94.2Very high0 Ų025 Ų250%012%0.121CC..EExtended strand (participates in β ladder)trans-155.4154.9-179.663.9-162.4-175.3-87.24.2110.8S102 V106 M116 Y117 E247 F262 P277 H340S102-R104 PolarHBondContact O-N 3.05Å; S102-R104 PolarHBondContact O-NH1 2.77Å; R104-V106 HydrophobicContact CG-CG1 3.75Å; R104-M116 VanDerWaalsContact C-CE 3.48Å; R104-M116 CarbonylContact O-C 3.09Å; R104-M116 WeakPolarHBondContact O-CA 3.46Å; R104-Y117 PolarHBondContact N-O 2.89Å; R104-Y117 PolarHBondContact O-N 3.14Å; R104-E247 IonicContact CZ-OE1 3.61Å; R104-E247 IonicContact NH2-OE1 2.77Å; R104-E247 PolarHBondContact NH2-OE1 3.42Å; R104-F262 HydrophobicContact CB-CE2 4.47Å; R104-P277 VanDerWaalsContact CZ-O 3.32Å; R104-P277 PolarHBondContact NE-O 2.79Å; R104-P277 PolarHBondContact NH2-O 3.35Å; R104-H340 HydrophobicContact CB-CB 4Å
105Q98.5Very high94.6Very high4 Ų425 Ų252%0.01912%0.121CC..EExtended strand (participates in β ladder)trans-74.7136.6168.1-175.6173.6-11.200109.2F108 L115 M116 A144 S147 Y283 H337Q105-F108 VanDerWaalsContact NE2-CZ 3.3Å; Q105-L115 WeakPolarHBondContact CA-O 3.28Å; Q105-M116 HydrophobicContact CB-CE 4.1Å; Q105-M116 HydrophobicContact CB-SD 3.63Å; Q105-M116 HydrophobicContact CG-SD 4.15Å; Q105-A144 VanDerWaalsContact OE1-CA 3.28Å; Q105-S147 PolarHBondContact NE2-OG 2.92Å; Q105-S147 PolarHBondContact OE1-OG 2.83Å; Q105-Y283 HydrophobicContact CB-CE2 4.1Å; Q105-Y283 HydrophobicContact CG-CD2 4.13Å; Q105-Y283 HydrophobicContact CG-CE2 3.59Å; Q105-Y283 VanDerWaalsContact O-CE1 3.25Å; Q105-Y283 WeakPolarHBondContact O-CE1 3.47Å; Q105-H337 PolarHBondContact OE1-CE1 2.92Å
106V98.5Very high94.9Very high0 Ų022.9 Ų22.90%011%0.111CC..EExtended strand (participates in β ladder)trans-129.4-11.9-177.3-62.30000113.3R104 L115 W243 G279 T280 Y283R104-V106 HydrophobicContact CG-CG1 3.75Å; V106-L115 HydrophobicContact CG2-CB 4.48Å; V106-L115 HydrophobicContact CG2-CD2 3.94Å; V106-L115 HydrophobicContact CG2-CG 3.83Å; V106-L115 PolarHBondContact N-O 3.21Å; V106-W243 HydrophobicContact CB-CE3 4.46Å; V106-W243 HydrophobicContact CB-CH2 3.74Å; V106-W243 HydrophobicContact CB-CZ2 4.16Å; V106-W243 HydrophobicContact CB-CZ3 3.88Å; V106-W243 HydrophobicContact CG1-CH2 3.51Å; V106-W243 HydrophobicContact CG1-CZ2 4.03Å; V106-W243 HydrophobicContact CG1-CZ3 4.07Å; V106-W243 HydrophobicContact CG2-CE3 4.31Å; V106-W243 HydrophobicContact CG2-CH2 4.07Å; V106-W243 HydrophobicContact CG2-CZ3 3.73Å; V106-G279 CarbonylContact O-C 3.49Å; V106-G279 WeakPolarHBondContact O-CA 3.43Å; V106-T280 WeakPolarHBondContact O-CB 3.44Å; V106-T280 WeakPolarHBondContact O-CG2 3.23Å; V106-T280 PolarHBondContact O-N 2.85Å; V106-T280 PolarHBondContact O-OG1 3.48Å; V106-Y283 WeakPolarHBondContact O-CB 3.49Å
107G98.4Very high95.4Very high0 Ų019 Ų190%09%0.093CC..EExtended strand (participates in β ladder)trans173-153.9-173.100000112L115 T280G107-L115 WeakPolarHBondContact O-CB 3.25Å; G107-L115 PolarHBondContact O-N 3.35Å; G107-T280 WeakPolarHBondContact CA-OG1 3.34Å
108F98.5Very high95.8Very high12 Ų1217.6 Ų17.65%0.0539%0.085CC..EExtended strand (participates in β ladder)trans-139158178.9-57.2-90.3000111.3Q105 G112 R113 P114 S147 Y283 Y287Q105-F108 VanDerWaalsContact NE2-CZ 3.3Å; F108-G112 WeakPolarHBondContact CD1-O 3.48Å; F108-R113 CarbonylContact C-O 3.39Å; F108-R113 WeakPolarHBondContact CA-O 3.32Å; F108-P114 HydrophobicContact CE1-CG 4.32Å; F108-S147 WeakPolarHBondContact CE1-OG 3.36Å; F108-Y283 HydrophobicContact CE2-CD2 4.21Å; F108-Y283 HydrophobicContact CZ-CD2 4.5Å; F108-Y287 HydrophobicContact CE2-CD2 4.21Å; F108-Y287 AromaticContact CE2-CE2 3.51Å; F108-Y287 HydrophobicContact CE2-CE2 3.51Å; F108-Y287 HydrophobicContact CZ-CD2 4.24Å; F108-Y287 AromaticContact CZ-CE2 3.42Å; F108-Y287 HydrophobicContact CZ-CE2 3.42Å; F108-Y287 VanDerWaalsContact CZ-CE2 3.42Å; F108-Y287 AromaticContact CZ-CZ 3.66Å
109D98.3Very high96Very high9 Ų917.6 Ų17.65%0.0489%0.085CC..  trans-81175.416284.5-4.7000111.7E111 G112 R113 V156 F236D109-E111 PolarHBondContact O-N 3.43Å; D109-E111 VanDerWaalsContact O-N 3.12Å; D109-E111 WeakPolarHBondContact OD1-CA 3.35Å; D109-E111 WeakPolarHBondContact OD1-CB 3.49Å; D109-E111 PolarHBondContact OD1-N 3.05Å; D109-G112 PolarHBondContact O-N 2.97Å; D109-G112 PolarHBondContact OD1-N 3.23Å; D109-R113 PolarHBondContact N-O 2.69Å; D109-R113 VanDerWaalsContact OD1-CB 3.26Å; D109-R113 WeakPolarHBondContact OD1-CB 3.28Å; D109-R113 WeakPolarHBondContact OD1-CG 3.47Å; D109-R113 PolarHBondContact OD1-N 2.88Å; D109-R113 IonicContact OD1-NH1 3.77Å; D109-R113 WeakPolarHBondContact OD2-CD 3.33Å; D109-R113 IonicContact OD2-CZ 2.88Å; D109-R113 IonicContact OD2-NE 3.43Å; D109-R113 IonicContact OD2-NH1 2.69Å; D109-R113 PolarHBondContact OD2-NH1 3.38Å; D109-V156 HydrophobicContact CB-CG2 4.34Å; D109-F236 HydrophobicContact CB-CD1 3.9Å; D109-F236 HydrophobicContact CB-CE1 3.71Å
110R97.3Very high96Very high133 Ų13319.5 Ų19.550%0.5029%0.092SC..THydrogen-bonded Turntrans-60.8-19.6-179.1-72.5177.2-172.4-83.84.6114.5G112 N233 M235 F236R110-G112 VanDerWaalsContact C-N 3.34Å; R110-N233 PolarHBondContact NH2-O 2.9Å; R110-M235 WeakPolarHBondContact CG-O 3.48Å; R110-M235 PolarHBondContact N-O 3.23Å; R110-F236 PolarHBondContact NE-O 2.81Å; R110-F236 VanDerWaalsContact NE-O 3.08Å; R110-F236 PolarHBondContact NH2-O 3.47Å
111E97Very high95.9Very high110 Ų11019.7 Ų19.751%0.5149%0.093SC..THydrogen-bonded Turntrans-95.27.1178.2-57.2-61.9139.400112.2D109 R113 T150D109-E111 PolarHBondContact O-N 3.43Å; D109-E111 VanDerWaalsContact O-N 3.12Å; D109-E111 WeakPolarHBondContact OD1-CA 3.35Å; D109-E111 WeakPolarHBondContact OD1-CB 3.49Å; D109-E111 PolarHBondContact OD1-N 3.05Å; E111-R113 VanDerWaalsContact C-N 3.35Å; E111-R113 HydrophobicContact CB-CG 4.49Å; E111-R113 VanDerWaalsContact CB-NH1 3.28Å; E111-T150 PolarHBondContact O-OG1 3.04Å
112G97.5Very high95.8Very high18 Ų1819.3 Ų19.319%0.1869%0.092CC..  trans77.616.9-178.400000113.9F108 D109 R110F108-G112 WeakPolarHBondContact CD1-O 3.48Å; D109-G112 PolarHBondContact O-N 2.97Å; D109-G112 PolarHBondContact OD1-N 3.23Å; R110-G112 VanDerWaalsContact C-N 3.34Å
113R98.2Very high95.4Very high28 Ų2819.7 Ų19.711%0.1069%0.094CC..  trans-73.7133.7174.6-62.4-175.3-171.981.510.8110.1F108 D109 E111 L115 V152 T154 V156 Y190F108-R113 CarbonylContact C-O 3.39Å; F108-R113 WeakPolarHBondContact CA-O 3.32Å; D109-R113 PolarHBondContact N-O 2.69Å; D109-R113 VanDerWaalsContact OD1-CB 3.26Å; D109-R113 WeakPolarHBondContact OD1-CB 3.28Å; D109-R113 WeakPolarHBondContact OD1-CG 3.47Å; D109-R113 PolarHBondContact OD1-N 2.88Å; D109-R113 IonicContact OD1-NH1 3.77Å; D109-R113 WeakPolarHBondContact OD2-CD 3.33Å; D109-R113 IonicContact OD2-CZ 2.88Å; D109-R113 IonicContact OD2-NE 3.43Å; D109-R113 IonicContact OD2-NH1 2.69Å; D109-R113 PolarHBondContact OD2-NH1 3.38Å; E111-R113 VanDerWaalsContact C-N 3.35Å; E111-R113 HydrophobicContact CB-CG 4.49Å; E111-R113 VanDerWaalsContact CB-NH1 3.28Å; R113-L115 PolarHBondContact O-N 3.02Å; R113-V152 HydrophobicContact CG-CB 4.47Å; R113-V152 HydrophobicContact CG-CG1 3.59Å; R113-T154 WeakPolarHBondContact CB-O 3.49Å; R113-T154 WeakPolarHBondContact CD-OG1 3.41Å; R113-T154 VanDerWaalsContact CG-O 3.31Å; R113-T154 WeakPolarHBondContact CG-O 3.33Å; R113-T154 PolarHBondContact NE-OG1 3.43Å; R113-V156 HydrophobicContact CB-CG2 4.28Å; R113-Y190 VanDerWaalsContact CD-CD1 3.42Å; R113-Y190 VanDerWaalsContact NH1-CE1 3.33Å
114P98.6Very high94.5Very high0 Ų019.5 Ų19.50%09%0.092CC..EExtended strand (participates in β ladder)trans-57128.5175.1-25.835.1000111.6F108 A144 I148 L155 V156F108-P114 HydrophobicContact CE1-CG 4.32Å; P114-A144 HydrophobicContact CB-CB 3.9Å; P114-A144 HydrophobicContact CG-CB 4.26Å; P114-A144 WeakPolarHBondContact CG-O 3.35Å; P114-I148 HydrophobicContact CG-CD1 4.1Å; P114-I148 HydrophobicContact CG-CG1 3.63Å; P114-L155 HydrophobicContact CB-CG 4.34Å; P114-L155 HydrophobicContact CG-CG 4.49Å; P114-V156 PolarHBondContact O-N 2.84Å
115L98.8Very high93.1Very high0 Ų020 Ų200%09%0.094CC..EExtended strand (participates in β ladder)trans-95.3111.8175.4174.158.9000109.8Q105 V106 G107 R113 V156 I158 F236 T240 L244Q105-L115 WeakPolarHBondContact CA-O 3.28Å; V106-L115 HydrophobicContact CG2-CB 4.48Å; V106-L115 HydrophobicContact CG2-CD2 3.94Å; V106-L115 HydrophobicContact CG2-CG 3.83Å; V106-L115 PolarHBondContact N-O 3.21Å; G107-L115 WeakPolarHBondContact O-CB 3.25Å; G107-L115 PolarHBondContact O-N 3.35Å; R113-L115 PolarHBondContact O-N 3.02Å; L115-V156 HydrophobicContact CD1-CB 4.23Å; L115-V156 HydrophobicContact CD1-CG1 3.91Å; L115-I158 HydrophobicContact CD1-CB 4.47Å; L115-I158 HydrophobicContact CD1-CD1 3.74Å; L115-I158 HydrophobicContact CD1-CG1 3.83Å; L115-F236 HydrophobicContact CB-CE1 4.41Å; L115-F236 HydrophobicContact CD1-CE1 3.82Å; L115-F236 HydrophobicContact CD1-CZ 3.85Å; L115-F236 HydrophobicContact CD2-CD1 4.05Å; L115-F236 HydrophobicContact CD2-CE1 3.71Å; L115-F236 HydrophobicContact CD2-CZ 4.24Å; L115-F236 HydrophobicContact CG-CE1 4.18Å; L115-T240 HydrophobicContact CD2-CG2 3.68Å; L115-L244 HydrophobicContact CD2-CD1 4.1Å; L115-L244 HydrophobicContact CD2-CD2 4.26Å; L115-L244 HydrophobicContact CD2-CG 4.41Å
116M98.7Very high91.6Very high1 Ų125.2 Ų25.21%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-93.9127.2172.8-52.5-54.1-6400109.5V103 R104 Q105 L140 A144 L155 V156 F157 I158V103-M116 HydrophobicContact CG1-CE 4.45Å; R104-M116 VanDerWaalsContact C-CE 3.48Å; R104-M116 CarbonylContact O-C 3.09Å; R104-M116 WeakPolarHBondContact O-CA 3.46Å; Q105-M116 HydrophobicContact CB-CE 4.1Å; Q105-M116 HydrophobicContact CB-SD 3.63Å; Q105-M116 HydrophobicContact CG-SD 4.15Å; M116-L140 HydrophobicContact CE-CB 3.82Å; M116-L140 HydrophobicContact CE-CD1 3.93Å; M116-L140 HydrophobicContact CE-CD2 4.07Å; M116-L140 HydrophobicContact CE-CG 4.19Å; M116-A144 HydrophobicContact SD-CB 3.91Å; M116-L155 HydrophobicContact CG-CD2 4.26Å; M116-V156 PolarHBondContact N-O 2.81Å; M116-F157 HydrophobicContact CB-CD1 3.38Å; M116-F157 HydrophobicContact CB-CE1 3.43Å; M116-F157 VanDerWaalsContact CB-CE1 3.43Å; M116-F157 HydrophobicContact CB-CG 4Å; M116-F157 HydrophobicContact CB-CZ 4.13Å; M116-F157 HydrophobicContact CG-CD1 3.95Å; M116-F157 HydrophobicContact CG-CE1 3.51Å; M116-F157 HydrophobicContact CG-CE2 4.28Å; M116-F157 HydrophobicContact CG-CG 4.46Å; M116-F157 HydrophobicContact CG-CZ 3.72Å; M116-F157 CarbonylContact O-C 3.39Å; M116-F157 WeakPolarHBondContact O-CA 3.33Å; M116-I158 PolarHBondContact O-N 3.45Å
117Y98.6Very high90.3Very high0 Ų031.5 Ų31.50%015%0.149CC..EExtended strand (participates in β ladder)trans-119.5142.9177179.5-94.2000110.7V103 R104 C119 I158 D160 W243 L244 E247 I248 N251V103-Y117 WeakPolarHBondContact CA-O 3.36Å; R104-Y117 PolarHBondContact N-O 2.89Å; R104-Y117 PolarHBondContact O-N 3.14Å; Y117-C119 HydrophobicContact CE1-CB 4.16Å; Y117-I158 WeakPolarHBondContact CA-O 3.5Å; Y117-I158 HydrophobicContact CD2-CB 4.12Å; Y117-I158 HydrophobicContact CD2-CG2 3.9Å; Y117-I158 HydrophobicContact CE2-CG2 4.09Å; Y117-D160 HydrophobicContact CE2-CB 4.2Å; Y117-D160 WeakPolarHBondContact OH-CB 3.42Å; Y117-D160 PolarHBondContact OH-OD2 3.18Å; Y117-W243 HydrophobicContact CD1-CH2 4.24Å; Y117-W243 HydrophobicContact CD1-CZ3 4.46Å; Y117-W243 HydrophobicContact CG-CH2 4.41Å; Y117-W243 HydrophobicContact CG-CZ3 4.23Å; Y117-L244 HydrophobicContact CD2-CD2 3.88Å; Y117-L244 HydrophobicContact CE2-CD2 4.34Å; Y117-E247 HydrophobicContact CD1-CG 4.18Å; Y117-E247 HydrophobicContact CE1-CG 3.45Å; Y117-E247 VanDerWaalsContact CE1-CG 3.45Å; Y117-E247 HydrophobicContact CE2-CG 4.38Å; Y117-I248 HydrophobicContact CE2-CG1 4.36Å; Y117-N251 PolarHBondContact OH-ND2 2.87Å
118A95.9Very high89.1Confident6 Ų633.1 Ų33.15%0.0516%0.158CC..EExtended strand (participates in β ladder)trans-144.9151.4172.900000111V103 I158 I159 D160V103-A118 HydrophobicContact CB-CB 4.1Å; V103-A118 HydrophobicContact CG1-CB 4.33Å; V103-A118 HydrophobicContact CG2-CB 3.68Å; A118-I158 PolarHBondContact N-O 2.94Å; A118-I159 HydrophobicContact CB-CD1 3.84Å; A118-D160 WeakPolarHBondContact O-CB 3.23Å; A118-D160 PolarHBondContact O-N 3.19Å
119C93.5Very high88.4Confident1 Ų135.5 Ų35.51%0.00717%0.171CC..EExtended strand (participates in β ladder)trans-135.9134.2171.4-179.60000110.4S102 Y117 A121 Q122 D160 N251S102-C119 WeakPolarHBondContact CB-O 3.44Å; S102-C119 PolarHBondContact OG-N 3.49Å; S102-C119 PolarHBondContact OG-O 3.43Å; Y117-C119 HydrophobicContact CE1-CB 4.16Å; C119-A121 VanDerWaalsContact C-N 3.28Å; C119-A121 PolarHBondContact O-N 2.96Å; C119-Q122 HydrophobicContact CB-CB 4.28Å; C119-Q122 HydrophobicContact CB-CG 4.06Å; C119-Q122 PolarHBondContact O-N 3.18Å; C119-Q122 VanDerWaalsContact O-N 3.16Å; C119-D160 WeakPolarHBondContact CA-O 3.14Å; C119-D160 HydrophobicContact CB-CB 4.03Å; C119-N251 WeakPolarHBondContact CB-ND2 3.21Å
120F87.9Confident87.9Confident46 Ų4636.5 Ų36.520%0.20218%0.178CC..G310 helixtrans-68-28.6-179.5-77.7-90.5000112.9Q122 C123 T125 I159 D160 T162 L164 C168F120-Q122 PolarHBondContact O-N 3.24Å; F120-C123 PolarHBondContact O-SG 3Å; F120-C123 VanDerWaalsContact O-SG 3.39Å; F120-T125 HydrophobicContact CD1-CG2 3.9Å; F120-T125 HydrophobicContact CE1-CG2 4.22Å; F120-I159 HydrophobicContact CD2-CG2 4.25Å; F120-I159 HydrophobicContact CE2-CG2 3.53Å; F120-I159 HydrophobicContact CZ-CG2 4.42Å; F120-D160 PolarHBondContact N-O 3.38Å; F120-T162 CarbonylContact C-O 3.48Å; F120-T162 WeakPolarHBondContact CB-O 2.93Å; F120-T162 PolarHBondContact N-O 3.13Å; F120-L164 HydrophobicContact CB-CB 4.33Å; F120-L164 HydrophobicContact CD1-CD1 3.63Å; F120-L164 HydrophobicContact CD2-CB 4.05Å; F120-L164 HydrophobicContact CD2-CD1 3.97Å; F120-L164 HydrophobicContact CE1-CD1 3.42Å; F120-L164 VanDerWaalsContact CE1-CD1 3.42Å; F120-L164 HydrophobicContact CE2-CD1 3.73Å; F120-L164 HydrophobicContact CG-CB 4.04Å; F120-L164 HydrophobicContact CG-CD1 3.91Å; F120-L164 HydrophobicContact CZ-CD1 3.48Å; F120-L164 VanDerWaalsContact CZ-CD1 3.48Å; F120-C168 HydrophobicContact CD1-CB 4.01Å; F120-C168 HydrophobicContact CE1-CB 3.9Å
121A86.2Confident87.5Confident4 Ų434.8 Ų34.83%0.03318%0.179CC..G310 helixtrans-69.7-13.2174.800000113.5C119 T162 I255C119-A121 VanDerWaalsContact C-N 3.28Å; C119-A121 PolarHBondContact O-N 2.96Å; A121-T162 HydrophobicContact CB-CG2 4.39Å; A121-T162 PolarHBondContact N-O 2.96Å; A121-I255 HydrophobicContact CB-CD1 4.31Å; A121-I255 WeakPolarHBondContact O-CD1 3.45Å
122Q87.7Confident87.1Confident6 Ų630.8 Ų30.83%0.02816%0.161CC..G310 helixtrans-100.2-10-178.7-73.5176.5-26.300114.4C119 F120 E247 N251 I255 Q259C119-Q122 HydrophobicContact CB-CB 4.28Å; C119-Q122 HydrophobicContact CB-CG 4.06Å; C119-Q122 PolarHBondContact O-N 3.18Å; C119-Q122 VanDerWaalsContact O-N 3.16Å; F120-Q122 PolarHBondContact O-N 3.24Å; Q122-E247 PolarHBondContact NE2-OE1 3.22Å; Q122-N251 PolarHBondContact NE2-OD1 3.11Å; Q122-I255 HydrophobicContact CG-CD1 3.68Å; Q122-Q259 PolarHBondContact NE2-O 3.32Å
123C82.4Confident86.6Confident11 Ų1131 Ų317%0.07416%0.158CC..SBendtrans-121.4156-169.956.50000113.7G99 F100 S102 F120 T125 Y359G99-C123 WeakPolarHBondContact O-CA 3.31Å; F100-C123 CarbonylContact O-C 3.33Å; F100-C123 WeakPolarHBondContact O-CB 3.31Å; S102-C123 WeakPolarHBondContact OG-CB 3.47Å; F120-C123 PolarHBondContact O-SG 3Å; F120-C123 VanDerWaalsContact O-SG 3.39Å; C123-T125 PolarHBondContact O-N 3.5Å; C123-T125 WeakPolarHBondContact SG-CG2 3.37Å; C123-Y359 WeakPolarHBondContact O-CE2 3.48Å; C123-Y359 PolarHBondContact O-OH 3.16Å
124Q77Confident86.4Confident21 Ų2129.8 Ų29.810%0.09815%0.154CC..  trans-90.376175.7-59.4-170.924.200114.3G99 F100 N128 K355 Y359G99-Q124 PolarHBondContact O-N 2.93Å; F100-Q124 HydrophobicContact CD2-CB 3.73Å; F100-Q124 HydrophobicContact CE2-CB 4.21Å; F100-Q124 HydrophobicContact CG-CB 4.26Å; F100-Q124 PolarHBondContact O-N 3.04Å; Q124-N128 PolarHBondContact O-OD1 3.44Å; Q124-K355 PolarHBondContact NE2-O 2.96Å; Q124-K355 VanDerWaalsContact NE2-O 3.11Å; Q124-Y359 WeakPolarHBondContact CA-OH 3.21Å
125T68.4Low86.2Confident9 Ų930.6 Ų30.66%0.05516%0.16CC..G310 helixtrans-77.9-21.3-171.557.80000116.5F120 C123 K127 N128 C168 Y359F120-T125 HydrophobicContact CD1-CG2 3.9Å; F120-T125 HydrophobicContact CE1-CG2 4.22Å; C123-T125 PolarHBondContact O-N 3.5Å; C123-T125 WeakPolarHBondContact SG-CG2 3.37Å; T125-K127 PolarHBondContact O-N 2.97Å; T125-K127 VanDerWaalsContact O-N 3.12Å; T125-N128 WeakPolarHBondContact O-CB 3.31Å; T125-N128 PolarHBondContact O-N 2.83Å; T125-C168 HydrophobicContact CG2-CB 4.33Å; T125-C168 PolarHBondContact OG1-SG 3.46Å; T125-Y359 PolarHBondContact N-OH 3.31Å
126L66.8Low86Confident114 Ų11430.7 Ų30.760%0.59716%0.16SC*.G310 helixtrans-67.7-16.1-170.9-67.1177.7000114A167 Y359L126-A167 HydrophobicContact CD2-CB 3.8Å; L126-Y359 HydrophobicContact CG-CE1 4.47Å
127K71.6Confident85.8Confident133 Ų13331.2 Ų31.258%0.57816%0.163SC*.G310 helixtrans-110.310.3179.5-66-175.3178.9-178.20113.2F100 T125 N129F100-K127 HydrophobicContact CE2-CB 4Å; F100-K127 HydrophobicContact CZ-CB 4.14Å; T125-K127 PolarHBondContact O-N 2.97Å; T125-K127 VanDerWaalsContact O-N 3.12Å; K127-N129 PolarHBondContact O-N 2.83Å
128N73.4Confident85.7Confident33 Ų3331.2 Ų31.218%0.17616%0.163CC..  trans-66.9128.9-178.9-69.9-1.7000110.6F100 Q124 T125 V133 I173F100-N128 WeakPolarHBondContact CE1-OD1 3.4Å; F100-N128 VanDerWaalsContact CZ-OD1 3.26Å; F100-N128 WeakPolarHBondContact CZ-OD1 3.48Å; Q124-N128 PolarHBondContact O-OD1 3.44Å; T125-N128 WeakPolarHBondContact O-CB 3.31Å; T125-N128 PolarHBondContact O-N 2.83Å; N128-V133 HydrophobicContact CB-CG2 3.97Å; N128-I173 HydrophobicContact CB-CD1 3.57Å
129N83.7Confident85.7Confident63 Ų6331 Ų3134%0.33716%0.16SC..  trans-109.6163.6159.772.660.4000110.2K127 D131 D132 V133K127-N129 PolarHBondContact O-N 2.83Å; N129-D131 VanDerWaalsContact C-N 3.32Å; N129-D131 PolarHBondContact O-N 3.13Å; N129-D131 PolarHBondContact OD1-N 2.85Å; N129-D131 VanDerWaalsContact OD1-N 3.09Å; N129-D132 PolarHBondContact ND2-OD2 2.85Å; N129-D132 PolarHBondContact O-N 3.3Å; N129-D132 PolarHBondContact OD1-N 2.67Å; N129-D132 PolarHBondContact OD1-OD2 2.75Å; N129-V133 PolarHBondContact O-N 3.45Å
130P86.3Confident85.8Confident30 Ų3031.2 Ų31.220%0.19516%0.162CC..Hα-helixtrans-59.1-37.5-174.5-26.436.2000114.7V134 K172 I173 K176P130-V134 WeakPolarHBondContact O-CG2 3.33Å; P130-V134 PolarHBondContact O-N 3.03Å; P130-V134 VanDerWaalsContact O-N 3.07Å; P130-K172 HydrophobicContact CG-CB 4.02Å; P130-I173 HydrophobicContact CB-CG1 4.49Å; P130-I173 HydrophobicContact CG-CG1 4.05Å; P130-K176 HydrophobicContact CB-CB 3.73Å; P130-K176 HydrophobicContact CB-CG 3.92Å
131D89.7Confident86.2Confident96 Ų9629.4 Ų29.451%0.51315%0.154SC..Hα-helixtrans-72.4-35.7-174.8-64.4-41.1000111.8N129 V134 C135 K176N129-D131 VanDerWaalsContact C-N 3.32Å; N129-D131 PolarHBondContact O-N 3.13Å; N129-D131 PolarHBondContact OD1-N 2.85Å; N129-D131 VanDerWaalsContact OD1-N 3.09Å; D131-V134 PolarHBondContact O-N 3.29Å; D131-C135 VanDerWaalsContact O-CB 3.25Å; D131-C135 WeakPolarHBondContact O-CB 3.36Å; D131-C135 PolarHBondContact O-N 3.07Å; D131-K176 IonicContact OD1-NZ 3.95Å
132D87.7Confident86.6Confident27 Ų2729.6 Ų29.614%0.14415%0.154CC..Hα-helixtrans-67.7-40.8176.7-65.7-38.2000112.8W93 N129 C135 H136W93-D132 VanDerWaalsContact CD1-OD2 3.27Å; W93-D132 PolarHBondContact NE1-OD1 3.13Å; W93-D132 VanDerWaalsContact NE1-OD1 3.11Å; W93-D132 PolarHBondContact NE1-OD2 3.19Å; N129-D132 PolarHBondContact ND2-OD2 2.85Å; N129-D132 PolarHBondContact O-N 3.3Å; N129-D132 PolarHBondContact OD1-N 2.67Å; N129-D132 PolarHBondContact OD1-OD2 2.75Å; D132-C135 PolarHBondContact O-N 2.83Å; D132-H136 WeakPolarHBondContact O-CB 3.44Å; D132-H136 PolarHBondContact O-N 2.63Å
133V88.9Confident87Confident21 Ų2129.5 Ų29.513%0.12715%0.154CC..Hα-helixtrans-66.3-42.7176.8174.20000110.2N128 N129 H136 M137 I173N128-V133 HydrophobicContact CB-CG2 3.97Å; N129-V133 PolarHBondContact O-N 3.45Å; V133-H136 PolarHBondContact O-N 3.21Å; V133-M137 HydrophobicContact CG1-CG 4.33Å; V133-M137 VanDerWaalsContact O-CB 3.32Å; V133-M137 WeakPolarHBondContact O-CB 3.44Å; V133-M137 WeakPolarHBondContact O-CG 3.34Å; V133-M137 PolarHBondContact O-N 2.89Å; V133-I173 HydrophobicContact CB-CG2 3.9Å; V133-I173 HydrophobicContact CG1-CG2 3.78Å; V133-I173 HydrophobicContact CG2-CD1 4.28Å; V133-I173 HydrophobicContact CG2-CG2 3.86Å
134V93Very high87.7Confident4 Ų429 Ų292%0.02415%0.151CC..Hα-helixtrans-61.9-47.1174.6167.80000110.9P130 D131 H136 M137 V138 K176 T180P130-V134 WeakPolarHBondContact O-CG2 3.33Å; P130-V134 PolarHBondContact O-N 3.03Å; P130-V134 VanDerWaalsContact O-N 3.07Å; D131-V134 PolarHBondContact O-N 3.29Å; V134-H136 VanDerWaalsContact C-N 3.35Å; V134-H136 PolarHBondContact O-N 2.98Å; V134-M137 PolarHBondContact O-N 3.2Å; V134-V138 HydrophobicContact CG1-CG2 4.03Å; V134-V138 WeakPolarHBondContact O-CB 3.42Å; V134-V138 VanDerWaalsContact O-CG2 3.25Å; V134-V138 WeakPolarHBondContact O-CG2 3.46Å; V134-V138 PolarHBondContact O-N 3.19Å; V134-K176 HydrophobicContact CG2-CG 3.77Å; V134-T180 HydrophobicContact CG1-CG2 3.8Å
135C94.4Very high88.5Confident16 Ų1630.3 Ų30.311%0.10816%0.155CC..Hα-helixtrans-55.8-48.9178.1175.70000111.9Y84 I89 Q90 D131 D132 M137 V138 Y139Y84-C135 WeakPolarHBondContact OH-CA 3.45Å; Y84-C135 WeakPolarHBondContact OH-CB 3.4Å; Y84-C135 PolarHBondContact OH-N 2.93Å; I89-C135 VanDerWaalsContact CG1-SG 3.51Å; Q90-C135 PolarHBondContact O-SG 2.78Å; D131-C135 VanDerWaalsContact O-CB 3.25Å; D131-C135 WeakPolarHBondContact O-CB 3.36Å; D131-C135 PolarHBondContact O-N 3.07Å; D132-C135 PolarHBondContact O-N 2.83Å; C135-M137 PolarHBondContact O-N 2.77Å; C135-V138 PolarHBondContact O-N 3.23Å; C135-Y139 WeakPolarHBondContact O-CB 3.27Å; C135-Y139 PolarHBondContact O-N 2.88Å
136H94Very high89.7Confident2 Ų232.1 Ų32.11%0.00916%0.16CC..Hα-helixtrans-61.3-44.2177.2-172.559.7000112.7C91 H101 V103 D132 V133 V134 Y139 L140 H340C91-H136 HydrophobicContact CB-CB 4.43Å; H101-H136 VanDerWaalsContact CB-CD2 3.41Å; H101-H136 WeakPolarHBondContact CB-CD2 3.47Å; H101-H136 VanDerWaalsContact CB-NE2 3.27Å; H101-H136 WeakPolarHBondContact CB-NE2 3.47Å; H101-H136 AromaticContact CE1-CG 3.88Å; H101-H136 AromaticContact CG-CD2 3.52Å; H101-H136 AromaticContact CG-CG 3.58Å; H101-H136 AromaticContact CG-NE2 3.9Å; H101-H136 AromaticContact ND1-CD2 3.75Å; H101-H136 AromaticContact ND1-CG 3.28Å; H101-H136 VanDerWaalsContact ND1-CG 3.28Å; H101-H136 AromaticContact ND1-ND1 3.58Å; V103-H136 PolarHBondContact O-NE2 3.32Å; D132-H136 WeakPolarHBondContact O-CB 3.44Å; D132-H136 PolarHBondContact O-N 2.63Å; V133-H136 PolarHBondContact O-N 3.21Å; V134-H136 VanDerWaalsContact C-N 3.35Å; V134-H136 PolarHBondContact O-N 2.98Å; H136-Y139 WeakPolarHBondContact O-CB 3.39Å; H136-Y139 PolarHBondContact O-N 2.99Å; H136-L140 VanDerWaalsContact NE2-CD1 3.32Å; H136-L140 WeakPolarHBondContact NE2-CD1 3.18Å; H136-L140 WeakPolarHBondContact O-CG 3.31Å; H136-L140 PolarHBondContact O-N 3.42Å; H136-H340 AromaticContact CE1-CD2 3.54Å; H136-H340 AromaticContact CE1-NE2 3.22Å; H136-H340 PolarHBondContact CE1-NE2 3.45Å; H136-H340 AromaticContact NE2-CD2 3.98Å; H136-H340 AromaticContact NE2-NE2 3.75Å
137M95.1Very high91.1Very high12 Ų1226.7 Ų26.76%0.05913%0.132CC..Hα-helixtrans-70.8-36.7-178.3-71.1-65.8-43.500112.4V103 V133 V134 C135 L140 I141 F157 F177 F181V103-M137 HydrophobicContact CB-SD 4.46Å; V103-M137 HydrophobicContact CG1-SD 4.13Å; V103-M137 HydrophobicContact CG2-SD 4.28Å; V133-M137 HydrophobicContact CG1-CG 4.33Å; V133-M137 VanDerWaalsContact O-CB 3.32Å; V133-M137 WeakPolarHBondContact O-CB 3.44Å; V133-M137 WeakPolarHBondContact O-CG 3.34Å; V133-M137 PolarHBondContact O-N 2.89Å; V134-M137 PolarHBondContact O-N 3.2Å; C135-M137 PolarHBondContact O-N 2.77Å; M137-L140 PolarHBondContact O-N 2.91Å; M137-L140 HydrophobicContact SD-CD1 4.37Å; M137-I141 HydrophobicContact CE-CD1 4.19Å; M137-I141 WeakPolarHBondContact O-CB 3.31Å; M137-I141 WeakPolarHBondContact O-CD1 3.45Å; M137-I141 VanDerWaalsContact O-CG1 3.3Å; M137-I141 WeakPolarHBondContact O-CG1 3.17Å; M137-I141 PolarHBondContact O-N 3.01Å; M137-F157 HydrophobicContact CE-CE1 3.51Å; M137-F157 HydrophobicContact CE-CZ 3.81Å; M137-F177 HydrophobicContact CB-CE2 4.08Å; M137-F177 HydrophobicContact CE-CE2 3.92Å; M137-F177 HydrophobicContact CE-CZ 4.31Å; M137-F177 HydrophobicContact CG-CD2 4.22Å; M137-F177 HydrophobicContact CG-CE2 3.75Å; M137-F177 HydrophobicContact SD-CE2 4.33Å; M137-F181 HydrophobicContact CB-CE1 4.44Å; M137-F181 HydrophobicContact CB-CE2 3.74Å; M137-F181 HydrophobicContact CB-CZ 3.4Å
138V96.2Very high92.2Very high0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-61.4-49.7172.4168.30000110.1W80 Y84 P86 I89 V134 C135 L140 I141 E142 F181 Y185W80-V138 HydrophobicContact CH2-CG1 3.95Å; W80-V138 HydrophobicContact CH2-CG2 3.76Å; W80-V138 HydrophobicContact CZ2-CG2 4.05Å; Y84-V138 HydrophobicContact CD1-CG1 4.31Å; Y84-V138 HydrophobicContact CE1-CB 4.19Å; Y84-V138 HydrophobicContact CE1-CG1 3.94Å; Y84-V138 HydrophobicContact CE1-CG2 4.13Å; P86-V138 HydrophobicContact CB-CG1 3.38Å; I89-V138 HydrophobicContact CG2-CG1 4.16Å; V134-V138 HydrophobicContact CG1-CG2 4.03Å; V134-V138 WeakPolarHBondContact O-CB 3.42Å; V134-V138 VanDerWaalsContact O-CG2 3.25Å; V134-V138 WeakPolarHBondContact O-CG2 3.46Å; V134-V138 PolarHBondContact O-N 3.19Å; C135-V138 PolarHBondContact O-N 3.23Å; V138-L140 VanDerWaalsContact C-N 3.32Å; V138-L140 PolarHBondContact O-N 3.19Å; V138-I141 PolarHBondContact O-N 3.38Å; V138-E142 HydrophobicContact CG1-CG 4.3Å; V138-E142 WeakPolarHBondContact O-CB 3.01Å; V138-E142 WeakPolarHBondContact O-CG 3.18Å; V138-E142 PolarHBondContact O-N 2.81Å; V138-F181 HydrophobicContact CG2-CE1 4.13Å; V138-F181 HydrophobicContact CG2-CZ 3.99Å; V138-Y185 HydrophobicContact CG2-CE2 4.29Å
139Y95.5Very high93Very high1 Ų127.5 Ų27.50%0.00414%0.138CC..Hα-helixtrans-49.9-54.3174.4173.9-90.4000110.9I89 C135 H136 I141 E142 H143 P339 T341I89-Y139 HydrophobicContact CG2-CD2 4.44Å; I89-Y139 WeakPolarHBondContact O-CD2 3.39Å; C135-Y139 WeakPolarHBondContact O-CB 3.27Å; C135-Y139 PolarHBondContact O-N 2.88Å; H136-Y139 WeakPolarHBondContact O-CB 3.39Å; H136-Y139 PolarHBondContact O-N 2.99Å; Y139-I141 PolarHBondContact O-N 2.81Å; Y139-E142 PolarHBondContact O-N 3.41Å; Y139-H143 AromaticContact CD1-CD2 3.82Å; Y139-H143 AromaticContact CD2-CD2 3.53Å; Y139-H143 AromaticContact CD2-NE2 3.53Å; Y139-H143 AromaticContact CE1-CD2 3.62Å; Y139-H143 AromaticContact CE2-CD2 3.36Å; Y139-H143 WeakPolarHBondContact CE2-CD2 3.4Å; Y139-H143 AromaticContact CE2-NE2 3.08Å; Y139-H143 WeakPolarHBondContact CE2-NE2 3.15Å; Y139-H143 AromaticContact CG-CD2 3.77Å; Y139-H143 AromaticContact CZ-CD2 3.38Å; Y139-H143 AromaticContact CZ-NE2 3.43Å; Y139-H143 WeakPolarHBondContact O-CB 3.25Å; Y139-H143 PolarHBondContact O-CD2 3.35Å; Y139-H143 PolarHBondContact O-N 2.73Å; Y139-P339 PolarHBondContact OH-O 2.89Å; Y139-T341 WeakPolarHBondContact CE1-OG1 3.34Å
140L96Very high93.4Very high7 Ų727.5 Ų27.54%0.03714%0.14CC..Hα-helixtrans-63.3-42.5-177.4-72.2177.9000113.3V103 M116 H136 M137 V138 H143 A144V103-L140 HydrophobicContact CB-CD1 3.64Å; V103-L140 HydrophobicContact CG1-CD1 3.56Å; V103-L140 VanDerWaalsContact O-CD1 3.31Å; V103-L140 WeakPolarHBondContact O-CD1 3.11Å; M116-L140 HydrophobicContact CE-CB 3.82Å; M116-L140 HydrophobicContact CE-CD1 3.93Å; M116-L140 HydrophobicContact CE-CD2 4.07Å; M116-L140 HydrophobicContact CE-CG 4.19Å; H136-L140 VanDerWaalsContact NE2-CD1 3.32Å; H136-L140 WeakPolarHBondContact NE2-CD1 3.18Å; H136-L140 WeakPolarHBondContact O-CG 3.31Å; H136-L140 PolarHBondContact O-N 3.42Å; M137-L140 PolarHBondContact O-N 2.91Å; M137-L140 HydrophobicContact SD-CD1 4.37Å; V138-L140 VanDerWaalsContact C-N 3.32Å; V138-L140 PolarHBondContact O-N 3.19Å; L140-H143 PolarHBondContact O-N 2.79Å; L140-A144 WeakPolarHBondContact O-CB 3.46Å; L140-A144 PolarHBondContact O-N 3.18Å
141I96.1Very high93.5Very high7 Ų731.5 Ų31.54%0.03617%0.169CC..Hα-helixtrans-67.9-44.4-178-73.6163.4000110.6M137 V138 Y139 H143 A144 R145 L155 F157 F181 Y185 T188M137-I141 HydrophobicContact CE-CD1 4.19Å; M137-I141 WeakPolarHBondContact O-CB 3.31Å; M137-I141 WeakPolarHBondContact O-CD1 3.45Å; M137-I141 VanDerWaalsContact O-CG1 3.3Å; M137-I141 WeakPolarHBondContact O-CG1 3.17Å; M137-I141 PolarHBondContact O-N 3.01Å; V138-I141 PolarHBondContact O-N 3.38Å; Y139-I141 PolarHBondContact O-N 2.81Å; I141-H143 VanDerWaalsContact C-N 3.3Å; I141-H143 PolarHBondContact O-N 3.38Å; I141-A144 PolarHBondContact O-N 2.79Å; I141-R145 HydrophobicContact CG2-CG 4.49Å; I141-R145 WeakPolarHBondContact O-CB 3.08Å; I141-R145 VanDerWaalsContact O-CG 3.25Å; I141-R145 WeakPolarHBondContact O-CG 3.26Å; I141-R145 PolarHBondContact O-N 2.9Å; I141-L155 HydrophobicContact CG1-CD2 3.99Å; I141-F157 HydrophobicContact CG1-CZ 4.37Å; I141-F181 HydrophobicContact CD1-CD1 3.64Å; I141-F181 HydrophobicContact CD1-CE1 3.24Å; I141-F181 HydrophobicContact CD1-CZ 3.91Å; I141-Y185 HydrophobicContact CG2-CD1 3.67Å; I141-Y185 HydrophobicContact CG2-CE1 3.73Å; I141-T188 HydrophobicContact CG2-CG2 4.24Å
142E95.4Very high93.6Very high9 Ų928.4 Ų28.44%0.04215%0.153CC..Hα-helixtrans-59-43.4175.9-72.5-61.4139.200111.8R81 P86 L87 V138 Y139 Y185R81-E142 IonicContact CZ-OE1 2.63Å; R81-E142 VanDerWaalsContact CZ-OE1 3.28Å; R81-E142 IonicContact CZ-OE2 2.78Å; R81-E142 IonicContact NH1-OE1 3.98Å; R81-E142 PolarHBondContact NH1-OE1 3.45Å; R81-E142 IonicContact NH2-OE1 3.94Å; R81-E142 PolarHBondContact NH2-OE1 3.07Å; R81-E142 IonicContact NH2-OE2 2.91Å; R81-E142 PolarHBondContact NH2-OE2 3.11Å; P86-E142 HydrophobicContact CB-CG 3.9Å; L87-E142 WeakPolarHBondContact CD2-OE2 3.44Å; V138-E142 HydrophobicContact CG1-CG 4.3Å; V138-E142 WeakPolarHBondContact O-CB 3.01Å; V138-E142 WeakPolarHBondContact O-CG 3.18Å; V138-E142 PolarHBondContact O-N 2.81Å; Y139-E142 PolarHBondContact O-N 3.41Å; E142-Y185 WeakPolarHBondContact OE1-CE1 3.31Å; E142-Y185 PolarHBondContact OE1-OH 2.75Å
143H95Very high93.7Very high4 Ų429.2 Ų29.22%0.01916%0.158CC..Hα-helixtrans-71.9-40.9178.5-77.3-63.5000113.1Y139 L140 I141 R145 R146 Y329 H337 M338Y139-H143 AromaticContact CD1-CD2 3.82Å; Y139-H143 AromaticContact CD2-CD2 3.53Å; Y139-H143 AromaticContact CD2-NE2 3.53Å; Y139-H143 AromaticContact CE1-CD2 3.62Å; Y139-H143 AromaticContact CE2-CD2 3.36Å; Y139-H143 WeakPolarHBondContact CE2-CD2 3.4Å; Y139-H143 AromaticContact CE2-NE2 3.08Å; Y139-H143 WeakPolarHBondContact CE2-NE2 3.15Å; Y139-H143 AromaticContact CG-CD2 3.77Å; Y139-H143 AromaticContact CZ-CD2 3.38Å; Y139-H143 AromaticContact CZ-NE2 3.43Å; Y139-H143 WeakPolarHBondContact O-CB 3.25Å; Y139-H143 PolarHBondContact O-CD2 3.35Å; Y139-H143 PolarHBondContact O-N 2.73Å; L140-H143 PolarHBondContact O-N 2.79Å; I141-H143 VanDerWaalsContact C-N 3.3Å; I141-H143 PolarHBondContact O-N 3.38Å; H143-R145 VanDerWaalsContact C-N 3.31Å; H143-R145 PolarHBondContact O-N 3.01Å; H143-R146 PolarHBondContact CE1-NH1 3.25Å; H143-R146 PolarHBondContact ND1-NH1 3.38Å; H143-R146 VanDerWaalsContact ND1-NH1 3.17Å; H143-R146 PolarHBondContact O-N 3.03Å; H143-Y329 AromaticContact CE1-CZ 3.4Å; H143-Y329 VanDerWaalsContact CE1-CZ 3.4Å; H143-Y329 PolarHBondContact CE1-OH 2.53Å; H143-Y329 AromaticContact NE2-CZ 3.92Å; H143-Y329 PolarHBondContact NE2-OH 3.16Å; H143-Y329 VanDerWaalsContact NE2-OH 3.11Å; H143-H337 PolarHBondContact O-ND1 3.17Å; H143-M338 WeakPolarHBondContact CB-O 3.48Å; H143-M338 WeakPolarHBondContact CE1-CB 3.33Å; H143-M338 WeakPolarHBondContact CE1-CG 3.34Å; H143-M338 WeakPolarHBondContact ND1-CB 3.33Å; H143-M338 PolarHBondContact ND1-N 3.05Å
144A96.8Very high94.1Very high1 Ų129.5 Ų29.51%0.00816%0.159CC..Hα-helixtrans-62.7-39.4178.500000111.7Q105 P114 M116 L140 I141 R146 S147 L155Q105-A144 VanDerWaalsContact OE1-CA 3.28Å; P114-A144 HydrophobicContact CB-CB 3.9Å; P114-A144 HydrophobicContact CG-CB 4.26Å; P114-A144 WeakPolarHBondContact CG-O 3.35Å; M116-A144 HydrophobicContact SD-CB 3.91Å; L140-A144 WeakPolarHBondContact O-CB 3.46Å; L140-A144 PolarHBondContact O-N 3.18Å; I141-A144 PolarHBondContact O-N 2.79Å; A144-R146 PolarHBondContact O-N 3.31Å; A144-S147 WeakPolarHBondContact O-CB 3.45Å; A144-S147 PolarHBondContact O-N 3.45Å; A144-S147 PolarHBondContact O-OG 3.17Å; A144-L155 HydrophobicContact CB-CD2 3.95Å
145R94.6Very high94.4Very high47 Ų4729.3 Ų29.318%0.17716%0.158CC..Hα-helixtrans-60.3-28177.9-74.8177.669-172.8-0.7113.9D54 I141 H143 S147 I148 L155D54-R145 IonicContact OD2-NH2 2.78Å; D54-R145 PolarHBondContact OD2-NH2 2.96Å; I141-R145 HydrophobicContact CG2-CG 4.49Å; I141-R145 WeakPolarHBondContact O-CB 3.08Å; I141-R145 VanDerWaalsContact O-CG 3.25Å; I141-R145 WeakPolarHBondContact O-CG 3.26Å; I141-R145 PolarHBondContact O-N 2.9Å; H143-R145 VanDerWaalsContact C-N 3.31Å; H143-R145 PolarHBondContact O-N 3.01Å; R145-S147 VanDerWaalsContact C-N 3.26Å; R145-S147 PolarHBondContact O-N 3.48Å; R145-I148 HydrophobicContact CG-CD1 4.45Å; R145-I148 WeakPolarHBondContact O-CB 2.99Å; R145-I148 WeakPolarHBondContact O-CG1 2.91Å; R145-I148 PolarHBondContact O-N 3.11Å; R145-L155 HydrophobicContact CG-CD1 4.28Å
146R93.6Very high94.6Very high47 Ų4728.6 Ų28.618%0.17715%0.153CC..THydrogen-bonded Turntrans-77.5-12.7176.9-62.9174.7-164.9156.8-0.4113.9L87 H143 A144 I148 Y329 Y334 I336 H337L87-R146 VanDerWaalsContact CD2-NH2 3.3Å; H143-R146 PolarHBondContact CE1-NH1 3.25Å; H143-R146 PolarHBondContact ND1-NH1 3.38Å; H143-R146 VanDerWaalsContact ND1-NH1 3.17Å; H143-R146 PolarHBondContact O-N 3.03Å; A144-R146 PolarHBondContact O-N 3.31Å; R146-I148 VanDerWaalsContact C-N 3.32Å; R146-Y329 VanDerWaalsContact CZ-OH 3.23Å; R146-Y329 VanDerWaalsContact NH1-CZ 3.31Å; R146-Y329 PolarHBondContact NH1-OH 3.17Å; R146-Y329 PolarHBondContact NH2-OH 3.34Å; R146-Y334 WeakPolarHBondContact CD-O 3.27Å; R146-Y334 PolarHBondContact NE-O 3.3Å; R146-Y334 PolarHBondContact NH1-O 2.91Å; R146-I336 WeakPolarHBondContact CD-O 3.36Å; R146-I336 PolarHBondContact NH1-O 3.36Å; R146-I336 VanDerWaalsContact NH1-O 3.17Å; R146-H337 HydrophobicContact CB-CB 4.29Å
147S96Very high94.8Very high1 Ų129.1 Ų29.11%0.00716%0.155CC..THydrogen-bonded Turntrans-85.6-7.9173.573.90000112.9Q105 F108 A144 R145 Q149 Y287Q105-S147 PolarHBondContact NE2-OG 2.92Å; Q105-S147 PolarHBondContact OE1-OG 2.83Å; F108-S147 WeakPolarHBondContact CE1-OG 3.36Å; A144-S147 WeakPolarHBondContact O-CB 3.45Å; A144-S147 PolarHBondContact O-N 3.45Å; A144-S147 PolarHBondContact O-OG 3.17Å; R145-S147 VanDerWaalsContact C-N 3.26Å; R145-S147 PolarHBondContact O-N 3.48Å; S147-Q149 PolarHBondContact O-N 3.4Å; S147-Y287 PolarHBondContact O-OH 2.78Å
148I94.9Very high94.9Very high25 Ų2528.5 Ų28.513%0.12815%0.152CC..  trans-71.6123.3-178.9-58.3-175.9000109.8P114 R145 R146 T150P114-I148 HydrophobicContact CG-CD1 4.1Å; P114-I148 HydrophobicContact CG-CG1 3.63Å; R145-I148 HydrophobicContact CG-CD1 4.45Å; R145-I148 WeakPolarHBondContact O-CB 2.99Å; R145-I148 WeakPolarHBondContact O-CG1 2.91Å; R145-I148 PolarHBondContact O-N 3.11Å; R146-I148 VanDerWaalsContact C-N 3.32Å; I148-T150 WeakPolarHBondContact CG2-O 3.39Å
149Q91.2Very high95Very high158 Ų15829.2 Ų29.274%0.73816%0.156SC*.  trans-112.3-0.7178.1-61.4-177.2-4.100112.9S147 Y287S147-Q149 PolarHBondContact O-N 3.4Å; Q149-Y287 PolarHBondContact NE2-OH 3.35Å
150T91.6Very high95Very high63 Ų6329.2 Ų29.239%0.38716%0.156SC..SBendtrans-112176.3-178.573.10000110.6E111 I148 V152E111-T150 PolarHBondContact O-OG1 3.04Å; I148-T150 WeakPolarHBondContact CG2-O 3.39Å; T150-V152 PolarHBondContact O-N 3.09Å; T150-V152 WeakPolarHBondContact OG1-CB 3.49Å; T150-V152 PolarHBondContact OG1-N 2.81Å; T150-V152 VanDerWaalsContact OG1-N 3.17Å
151S88.4Confident94.8Very high114 Ų11429.1 Ų29.180%0.79716%0.156SC*.SBendtrans-74.8-0.1171.357.30000113.4N153S151-N153 PolarHBondContact O-N 2.81Å
152V90.5Very high94.5Very high30 Ų3029.8 Ų29.818%0.18216%0.161CC..  trans-96.896.4-173.4-174.70000110.4R113 T150 T154R113-V152 HydrophobicContact CG-CB 4.47Å; R113-V152 HydrophobicContact CG-CG1 3.59Å; T150-V152 PolarHBondContact O-N 3.09Å; T150-V152 WeakPolarHBondContact OG1-CB 3.49Å; T150-V152 PolarHBondContact OG1-N 2.81Å; T150-V152 VanDerWaalsContact OG1-N 3.17Å; V152-T154 VanDerWaalsContact C-N 3.32Å; V152-T154 PolarHBondContact O-N 3.02Å
153N91Very high93.9Very high45 Ų4529.8 Ų29.824%0.24116%0.163CC..  trans-9240.9-172.4-65.5-51.6000114.8D54 S151D54-N153 WeakPolarHBondContact OD1-CB 3.46Å; D54-N153 VanDerWaalsContact OD1-CG 3.26Å; D54-N153 PolarHBondContact OD1-ND2 3.28Å; S151-N153 PolarHBondContact O-N 2.81Å
154T97Very high93.4Very high27 Ų2730 Ų3017%0.16616%0.164CC..  trans-124.8158.7-177.749.30000112.1R113 V152 E187 T188R113-T154 WeakPolarHBondContact CB-O 3.49Å; R113-T154 WeakPolarHBondContact CD-OG1 3.41Å; R113-T154 VanDerWaalsContact CG-O 3.31Å; R113-T154 WeakPolarHBondContact CG-O 3.33Å; R113-T154 PolarHBondContact NE-OG1 3.43Å; V152-T154 VanDerWaalsContact C-N 3.32Å; V152-T154 PolarHBondContact O-N 3.02Å; T154-E187 WeakPolarHBondContact CG2-O 3.42Å; T154-T188 CarbonylContact C-O 3.55Å; T154-T188 WeakPolarHBondContact CA-O 3.43Å; T154-T188 WeakPolarHBondContact CB-O 3.41Å
155L98.2Very high92.5Very high0 Ų030.6 Ų30.60%017%0.167CC..EExtended strand (participates in β ladder)trans-115150.1-175-71.669.2000111.8P114 M116 I141 A144 R145 F157 T188 Y190P114-L155 HydrophobicContact CB-CG 4.34Å; P114-L155 HydrophobicContact CG-CG 4.49Å; M116-L155 HydrophobicContact CG-CD2 4.26Å; I141-L155 HydrophobicContact CG1-CD2 3.99Å; A144-L155 HydrophobicContact CB-CD2 3.95Å; R145-L155 HydrophobicContact CG-CD1 4.28Å; L155-F157 HydrophobicContact CB-CD2 4.42Å; L155-F157 HydrophobicContact CB-CE2 3.81Å; L155-F157 HydrophobicContact CD2-CE2 4.18Å; L155-F157 HydrophobicContact CD2-CZ 4.13Å; L155-T188 HydrophobicContact CD1-CG2 3.62Å; L155-T188 PolarHBondContact N-O 2.93Å; L155-Y190 WeakPolarHBondContact O-CB 3.33Å; L155-Y190 PolarHBondContact O-N 3.43Å
156V98.6Very high91.5Very high0 Ų028.4 Ų28.40%016%0.159CC..EExtended strand (participates in β ladder)trans-109.3131.3170.51800000109.4D109 R113 P114 L115 M116 Y190 K191 I193 M235 F236D109-V156 HydrophobicContact CB-CG2 4.34Å; R113-V156 HydrophobicContact CB-CG2 4.28Å; P114-V156 PolarHBondContact O-N 2.84Å; L115-V156 HydrophobicContact CD1-CB 4.23Å; L115-V156 HydrophobicContact CD1-CG1 3.91Å; M116-V156 PolarHBondContact N-O 2.81Å; V156-Y190 HydrophobicContact CG2-CD1 3.64Å; V156-Y190 HydrophobicContact CG2-CE1 4.45Å; V156-K191 WeakPolarHBondContact CA-O 3.26Å; V156-I193 HydrophobicContact CG1-CD1 4.48Å; V156-M235 HydrophobicContact CG1-CE 4.03Å; V156-M235 HydrophobicContact CG2-CE 4.22Å; V156-F236 HydrophobicContact CG1-CE1 4.43Å; V156-F236 HydrophobicContact CG1-CZ 3.98Å
157F98.5Very high90.5Very high13 Ų1328.2 Ų28.26%0.05717%0.168CC..EExtended strand (participates in β ladder)trans-111.9130.8172.4-70.8-95.4000109.9V103 M116 M137 I141 L155 I159 L189 K191 F192 I193V103-F157 HydrophobicContact CG1-CE1 4.39Å; M116-F157 HydrophobicContact CB-CD1 3.38Å; M116-F157 HydrophobicContact CB-CE1 3.43Å; M116-F157 VanDerWaalsContact CB-CE1 3.43Å; M116-F157 HydrophobicContact CB-CG 4Å; M116-F157 HydrophobicContact CB-CZ 4.13Å; M116-F157 HydrophobicContact CG-CD1 3.95Å; M116-F157 HydrophobicContact CG-CE1 3.51Å; M116-F157 HydrophobicContact CG-CE2 4.28Å; M116-F157 HydrophobicContact CG-CG 4.46Å; M116-F157 HydrophobicContact CG-CZ 3.72Å; M116-F157 CarbonylContact O-C 3.39Å; M116-F157 WeakPolarHBondContact O-CA 3.33Å; M137-F157 HydrophobicContact CE-CE1 3.51Å; M137-F157 HydrophobicContact CE-CZ 3.81Å; I141-F157 HydrophobicContact CG1-CZ 4.37Å; L155-F157 HydrophobicContact CB-CD2 4.42Å; L155-F157 HydrophobicContact CB-CE2 3.81Å; L155-F157 HydrophobicContact CD2-CE2 4.18Å; L155-F157 HydrophobicContact CD2-CZ 4.13Å; F157-I159 HydrophobicContact CB-CD1 4.46Å; F157-L189 HydrophobicContact CD2-CD1 3.68Å; F157-L189 HydrophobicContact CE2-CD1 4.19Å; F157-K191 PolarHBondContact N-O 2.92Å; F157-F192 HydrophobicContact CB-CD2 3.6Å; F157-F192 HydrophobicContact CB-CE2 3.9Å; F157-F192 HydrophobicContact CB-CG 4.15Å; F157-F192 HydrophobicContact CD1-CE2 4.44Å; F157-F192 HydrophobicContact CD2-CD2 4.24Å; F157-F192 AromaticContact CG-CD2 3.95Å; F157-F192 HydrophobicContact CG-CD2 3.95Å; F157-F192 HydrophobicContact CG-CE2 4.1Å; F157-I193 PolarHBondContact O-N 3.18Å
158I98.6Very high89.6Confident0 Ų029 Ų290%017%0.173CC..EExtended strand (participates in β ladder)trans-115.2117.4165.6-64.3178.2000108.1L115 M116 Y117 A118 I193 I195 F232 F236 L244L115-I158 HydrophobicContact CD1-CB 4.47Å; L115-I158 HydrophobicContact CD1-CD1 3.74Å; L115-I158 HydrophobicContact CD1-CG1 3.83Å; M116-I158 PolarHBondContact O-N 3.45Å; Y117-I158 WeakPolarHBondContact CA-O 3.5Å; Y117-I158 HydrophobicContact CD2-CB 4.12Å; Y117-I158 HydrophobicContact CD2-CG2 3.9Å; Y117-I158 HydrophobicContact CE2-CG2 4.09Å; A118-I158 PolarHBondContact N-O 2.94Å; I158-I193 CarbonylContact C-O 3.51Å; I158-I193 WeakPolarHBondContact CA-O 3.47Å; I158-I193 HydrophobicContact CG1-CB 4.28Å; I158-I193 HydrophobicContact CG1-CD1 4.47Å; I158-I195 HydrophobicContact CG2-CD1 4.11Å; I158-F232 HydrophobicContact CD1-CD1 4.46Å; I158-F232 HydrophobicContact CD1-CE1 3.71Å; I158-F232 HydrophobicContact CD1-CZ 3.78Å; I158-F232 HydrophobicContact CG1-CE1 4.49Å; I158-F232 HydrophobicContact CG2-CZ 4.19Å; I158-F236 HydrophobicContact CD1-CE2 3.75Å; I158-F236 HydrophobicContact CD1-CZ 3.74Å; I158-L244 HydrophobicContact CD1-CD1 3.66Å; I158-L244 HydrophobicContact CD1-CD2 3.77Å; I158-L244 HydrophobicContact CD1-CG 4.39Å
159I96.6Very high88.7Confident15 Ų1528.8 Ų28.88%0.07717%0.174CC..EExtended strand (participates in β ladder)trans-110.2107.8179.2-51.3-55.2000108.7A118 F120 F157 C161 F192 I193 L194 I195A118-I159 HydrophobicContact CB-CD1 3.84Å; F120-I159 HydrophobicContact CD2-CG2 4.25Å; F120-I159 HydrophobicContact CE2-CG2 3.53Å; F120-I159 HydrophobicContact CZ-CG2 4.42Å; F157-I159 HydrophobicContact CB-CD1 4.46Å; I159-C161 PolarHBondContact O-N 3.44Å; I159-F192 HydrophobicContact CB-CE1 4.33Å; I159-F192 HydrophobicContact CD1-CE1 4.43Å; I159-F192 HydrophobicContact CD1-CE2 4.44Å; I159-F192 HydrophobicContact CD1-CZ 3.94Å; I159-F192 HydrophobicContact CG1-CD1 4.25Å; I159-F192 HydrophobicContact CG1-CE1 3.4Å; I159-F192 HydrophobicContact CG1-CE2 4.2Å; I159-F192 HydrophobicContact CG1-CZ 3.38Å; I159-I193 PolarHBondContact N-O 2.89Å; I159-L194 HydrophobicContact CB-CD2 4.44Å; I159-L194 HydrophobicContact CB-CG 4.35Å; I159-L194 HydrophobicContact CG2-CD2 4.49Å; I159-L194 WeakPolarHBondContact O-CA 3.46Å; I159-I195 PolarHBondContact O-N 3.38Å
160D95.4Very high88Confident0 Ų023.6 Ų23.60%015%0.151CC..EExtended strand (participates in β ladder)trans-78.9105.2170-171.2-10000110Y117 A118 C119 F120 T162 I195 N196Y117-D160 HydrophobicContact CE2-CB 4.2Å; Y117-D160 WeakPolarHBondContact OH-CB 3.42Å; Y117-D160 PolarHBondContact OH-OD2 3.18Å; A118-D160 WeakPolarHBondContact O-CB 3.23Å; A118-D160 PolarHBondContact O-N 3.19Å; C119-D160 WeakPolarHBondContact CA-O 3.14Å; C119-D160 HydrophobicContact CB-CB 4.03Å; F120-D160 PolarHBondContact N-O 3.38Å; D160-T162 PolarHBondContact O-N 2.93Å; D160-T162 VanDerWaalsContact O-N 3.11Å; D160-T162 VanDerWaalsContact OD1-CB 3.23Å; D160-T162 WeakPolarHBondContact OD1-CB 3.41Å; D160-T162 PolarHBondContact OD1-N 2.84Å; D160-T162 PolarHBondContact OD1-OG1 2.81Å; D160-I195 HydrophobicContact CB-CD1 4.13Å; D160-I195 HydrophobicContact CB-CG1 4.08Å; D160-N196 WeakPolarHBondContact OD1-CB 3.03Å; D160-N196 PolarHBondContact OD1-ND2 3.4Å
161C92.2Very high87.3Confident5 Ų523.7 Ų23.73%0.03415%0.153CC..  trans-74.59.3179.3-61.60000113.6I159 G163 L164 I195 H197I159-C161 PolarHBondContact O-N 3.44Å; C161-G163 PolarHBondContact O-N 2.76Å; C161-L164 HydrophobicContact CB-CB 4Å; C161-L164 HydrophobicContact CB-CD2 3.96Å; C161-L164 WeakPolarHBondContact O-CB 3.22Å; C161-L164 PolarHBondContact O-N 2.82Å; C161-I195 VanDerWaalsContact CB-O 3.31Å; C161-I195 WeakPolarHBondContact CB-O 3.16Å; C161-I195 PolarHBondContact N-O 3.48Å; C161-H197 HydrophobicContact CB-CB 3.94Å
162T89.5Confident86.9Confident22 Ų2225.6 Ų25.614%0.13515%0.147CC..THydrogen-bonded Turntrans-58.7120.3168.8-59.10000109.8F120 A121 D160 N196 N251F120-T162 CarbonylContact C-O 3.48Å; F120-T162 WeakPolarHBondContact CB-O 2.93Å; F120-T162 PolarHBondContact N-O 3.13Å; A121-T162 HydrophobicContact CB-CG2 4.39Å; A121-T162 PolarHBondContact N-O 2.96Å; D160-T162 PolarHBondContact O-N 2.93Å; D160-T162 VanDerWaalsContact O-N 3.11Å; D160-T162 VanDerWaalsContact OD1-CB 3.23Å; D160-T162 WeakPolarHBondContact OD1-CB 3.41Å; D160-T162 PolarHBondContact OD1-N 2.84Å; D160-T162 PolarHBondContact OD1-OG1 2.81Å; T162-N196 PolarHBondContact OG1-ND2 3.1Å; T162-N251 VanDerWaalsContact CG2-O 3.29Å; T162-N251 WeakPolarHBondContact CG2-O 3.42Å
163G84.1Confident86.6Confident9 Ų925.2 Ų25.29%0.09314%0.143CC..THydrogen-bonded Turntrans89.1-0.8-174.700000114.7C161 T165C161-G163 PolarHBondContact O-N 2.76Å; G163-T165 PolarHBondContact O-N 3.2Å
164L84.1Confident86.1Confident8 Ų824.2 Ų24.24%0.04214%0.144CC..  trans-65.4121.8177.1-179.566.8000111.1F120 C161 C168 F200 F201F120-L164 HydrophobicContact CB-CB 4.33Å; F120-L164 HydrophobicContact CD1-CD1 3.63Å; F120-L164 HydrophobicContact CD2-CB 4.05Å; F120-L164 HydrophobicContact CD2-CD1 3.97Å; F120-L164 HydrophobicContact CE1-CD1 3.42Å; F120-L164 VanDerWaalsContact CE1-CD1 3.42Å; F120-L164 HydrophobicContact CE2-CD1 3.73Å; F120-L164 HydrophobicContact CG-CB 4.04Å; F120-L164 HydrophobicContact CG-CD1 3.91Å; F120-L164 HydrophobicContact CZ-CD1 3.48Å; F120-L164 VanDerWaalsContact CZ-CD1 3.48Å; C161-L164 HydrophobicContact CB-CB 4Å; C161-L164 HydrophobicContact CB-CD2 3.96Å; C161-L164 WeakPolarHBondContact O-CB 3.22Å; C161-L164 PolarHBondContact O-N 2.82Å; L164-C168 HydrophobicContact CD1-CB 3.84Å; L164-F200 HydrophobicContact CD2-CE2 4.37Å; L164-F200 HydrophobicContact CD2-CZ 4.25Å; L164-F200 HydrophobicContact CG-CZ 4.09Å; L164-F201 HydrophobicContact CD2-CD2 3.81Å; L164-F201 HydrophobicContact CD2-CE2 4.47Å
165T77.3Confident85.5Confident13 Ų1329.3 Ų29.38%0.0816%0.164CC..  trans-114.2163.1170.469.80000110.1G163 A167 C168 I367G163-T165 PolarHBondContact O-N 3.2Å; T165-A167 VanDerWaalsContact C-N 3.25Å; T165-A167 PolarHBondContact O-N 3.29Å; T165-C168 WeakPolarHBondContact O-CB 3.36Å; T165-C168 PolarHBondContact O-N 2.82Å; T165-C168 PolarHBondContact OG1-SG 3.12Å; T165-I367 HydrophobicContact CG2-CB 4.34Å
166V74.5Confident85Confident1 Ų133 Ų331%0.00618%0.18CC..G310 helixtrans-65.4-30.6176.5167.90000112.4C168 C169 F200 I204 P369 E373 L374 Y377V166-C168 PolarHBondContact O-N 2.97Å; V166-C168 VanDerWaalsContact O-N 3.16Å; V166-C169 WeakPolarHBondContact O-CB 3.44Å; V166-C169 PolarHBondContact O-N 3.16Å; V166-F200 HydrophobicContact CG2-CD2 3.68Å; V166-F200 HydrophobicContact CG2-CE1 4.47Å; V166-F200 HydrophobicContact CG2-CE2 3.6Å; V166-F200 HydrophobicContact CG2-CG 4.23Å; V166-F200 HydrophobicContact CG2-CZ 4.04Å; V166-I204 HydrophobicContact CG2-CD1 4.23Å; V166-P369 HydrophobicContact CB-CB 3.69Å; V166-P369 HydrophobicContact CB-CG 4.38Å; V166-P369 HydrophobicContact CG1-CB 4.45Å; V166-P369 HydrophobicContact CG2-CB 3.22Å; V166-P369 HydrophobicContact CG2-CG 3.43Å; V166-P369 VanDerWaalsContact CG2-CG 3.43Å; V166-E373 HydrophobicContact CG1-CB 3.93Å; V166-L374 HydrophobicContact CG2-CD2 4.12Å; V166-Y377 HydrophobicContact CG1-CD2 3.19Å; V166-Y377 HydrophobicContact CG1-CE1 4.47Å; V166-Y377 HydrophobicContact CG1-CE2 3.08Å; V166-Y377 HydrophobicContact CG1-CG 4.07Å; V166-Y377 PolarHBondContact O-OH 3.22Å
167A72.9Confident84.5Confident44 Ų4435.7 Ų35.736%0.36419%0.191SC..G310 helixtrans-59.5-24.2171.400000113.2L126 T165 C169L126-A167 HydrophobicContact CD2-CB 3.8Å; T165-A167 VanDerWaalsContact C-N 3.25Å; T165-A167 PolarHBondContact O-N 3.29Å; A167-C169 VanDerWaalsContact C-N 3.29Å
168C76.1Confident84Confident17 Ų1737.1 Ų37.112%0.11520%0.201CC..G310 helixtrans-74.3-18.5173.4-54.70000113F120 T125 L164 T165 V166 N170F120-C168 HydrophobicContact CD1-CB 4.01Å; F120-C168 HydrophobicContact CE1-CB 3.9Å; T125-C168 HydrophobicContact CG2-CB 4.33Å; T125-C168 PolarHBondContact OG1-SG 3.46Å; L164-C168 HydrophobicContact CD1-CB 3.84Å; T165-C168 WeakPolarHBondContact O-CB 3.36Å; T165-C168 PolarHBondContact O-N 2.82Å; T165-C168 PolarHBondContact OG1-SG 3.12Å; V166-C168 PolarHBondContact O-N 2.97Å; V166-C168 VanDerWaalsContact O-N 3.16Å; C168-N170 PolarHBondContact O-N 3.09Å
169C76.6Confident83.6Confident20 Ų2041.6 Ų41.614%0.13522%0.222CC..  trans-96.134.4-165.2-64.60000114.3V166 A167 I204 Y377V166-C169 WeakPolarHBondContact O-CB 3.44Å; V166-C169 PolarHBondContact O-N 3.16Å; A167-C169 VanDerWaalsContact C-N 3.29Å; C169-I204 HydrophobicContact CB-CD1 3.78Å; C169-Y377 VanDerWaalsContact C-CE1 3.49Å; C169-Y377 HydrophobicContact CB-CD1 4.34Å; C169-Y377 HydrophobicContact CB-CE1 4.22Å; C169-Y377 VanDerWaalsContact O-CD1 3.23Å; C169-Y377 WeakPolarHBondContact O-CD1 3.41Å; C169-Y377 WeakPolarHBondContact O-CE1 3.42Å
170N76.6Confident83.4Confident50 Ų5041.4 Ų41.427%0.26722%0.222SC..  trans-52.7119.5-176-177-16.8000112.8C168 K172 I173 G174C168-N170 PolarHBondContact O-N 3.09Å; N170-K172 PolarHBondContact O-N 3.29Å; N170-K172 WeakPolarHBondContact OD1-CB 3.32Å; N170-K172 PolarHBondContact OD1-N 3.46Å; N170-I173 HydrophobicContact CB-CB 4.34Å; N170-I173 HydrophobicContact CB-CD1 3.76Å; N170-I173 HydrophobicContact CB-CG1 3.85Å; N170-I173 WeakPolarHBondContact O-CB 3.29Å; N170-I173 PolarHBondContact O-N 2.88Å; N170-I173 VanDerWaalsContact O-N 3.1Å; N170-G174 PolarHBondContact O-N 3.13Å
171P75.7Confident83.3Confident64 Ų6442.4 Ų42.442%0.41623%0.226SC..Hα-helixtrans-67.5-25.6-176-18.234.2000112.7I173 G174 K175 Y377P171-I173 VanDerWaalsContact C-N 3.31Å; P171-G174 PolarHBondContact O-N 3.4Å; P171-K175 WeakPolarHBondContact O-CB 3.46Å; P171-K175 PolarHBondContact O-N 3.02Å; P171-Y377 VanDerWaalsContact CD-CE1 3.49Å; P171-Y377 HydrophobicContact CG-CD1 3.6Å; P171-Y377 HydrophobicContact CG-CE1 3.92Å
172K81Confident83.3Confident155 Ų15544.4 Ų44.467%0.67424%0.243SC*.Hα-helixtrans-65.5-37.4175.7-63-177.8178.5178.40111.3P130 N170 K176P130-K172 HydrophobicContact CG-CB 4.02Å; N170-K172 PolarHBondContact O-N 3.29Å; N170-K172 WeakPolarHBondContact OD1-CB 3.32Å; N170-K172 PolarHBondContact OD1-N 3.46Å; K172-K176 WeakPolarHBondContact O-CB 3.34Å; K172-K176 PolarHBondContact O-N 3.47Å
173I83.2Confident83.5Confident22 Ų2246.6 Ų46.611%0.11325%0.254CS..Hα-helixtrans-64.6-51.6174-61.7179000109N128 P130 V133 N170 P171 K175 K176 F177N128-I173 HydrophobicContact CB-CD1 3.57Å; P130-I173 HydrophobicContact CB-CG1 4.49Å; P130-I173 HydrophobicContact CG-CG1 4.05Å; V133-I173 HydrophobicContact CB-CG2 3.9Å; V133-I173 HydrophobicContact CG1-CG2 3.78Å; V133-I173 HydrophobicContact CG2-CD1 4.28Å; V133-I173 HydrophobicContact CG2-CG2 3.86Å; N170-I173 HydrophobicContact CB-CB 4.34Å; N170-I173 HydrophobicContact CB-CD1 3.76Å; N170-I173 HydrophobicContact CB-CG1 3.85Å; N170-I173 WeakPolarHBondContact O-CB 3.29Å; N170-I173 PolarHBondContact O-N 2.88Å; N170-I173 VanDerWaalsContact O-N 3.1Å; P171-I173 VanDerWaalsContact C-N 3.31Å; I173-K175 VanDerWaalsContact C-N 3.33Å; I173-K175 PolarHBondContact O-N 2.96Å; I173-K176 PolarHBondContact O-N 3.37Å; I173-F177 VanDerWaalsContact O-CB 3.23Å; I173-F177 WeakPolarHBondContact O-CB 3.46Å; I173-F177 PolarHBondContact O-N 3Å
174G81.8Confident84.1Confident24 Ų2446.5 Ų46.525%0.24725%0.252CS..Hα-helixtrans-56.5-45178.700000112.8N170 P171 V178N170-G174 PolarHBondContact O-N 3.13Å; P171-G174 PolarHBondContact O-N 3.4Å; G174-V178 WeakPolarHBondContact O-CB 3.26Å; G174-V178 VanDerWaalsContact O-CG2 3.27Å; G174-V178 WeakPolarHBondContact O-CG2 3.03Å; G174-V178 PolarHBondContact O-N 3.31Å
175K83.1Confident84.7Confident134 Ų13446.5 Ų46.558%0.58325%0.251SS*.Hα-helixtrans-61.5-51.9177.8-177178.5178.7179.70112.1P171 I173 F177 V178 Q179P171-K175 WeakPolarHBondContact O-CB 3.46Å; P171-K175 PolarHBondContact O-N 3.02Å; I173-K175 VanDerWaalsContact C-N 3.33Å; I173-K175 PolarHBondContact O-N 2.96Å; K175-F177 VanDerWaalsContact C-N 3.34Å; K175-F177 PolarHBondContact O-N 3.29Å; K175-V178 PolarHBondContact O-N 2.63Å; K175-Q179 WeakPolarHBondContact O-CB 3.36Å; K175-Q179 VanDerWaalsContact O-CG 3.26Å; K175-Q179 WeakPolarHBondContact O-CG 3.27Å; K175-Q179 PolarHBondContact O-N 3.49Å
176K88Confident85.6Confident78 Ų7846.2 Ų46.234%0.33925%0.25SC..Hα-helixtrans-62.6-43.3-179.9-177.973.3177.7-171.10111.1P130 D131 V134 K172 I173 Q179 T180P130-K176 HydrophobicContact CB-CB 3.73Å; P130-K176 HydrophobicContact CB-CG 3.92Å; D131-K176 IonicContact OD1-NZ 3.95Å; V134-K176 HydrophobicContact CG2-CG 3.77Å; K172-K176 WeakPolarHBondContact O-CB 3.34Å; K172-K176 PolarHBondContact O-N 3.47Å; I173-K176 PolarHBondContact O-N 3.37Å; K176-Q179 PolarHBondContact O-N 2.89Å; K176-T180 PolarHBondContact O-N 3.2Å; K176-T180 PolarHBondContact O-OG1 3.06Å
177F88.7Confident86.5Confident56 Ų5648.5 Ų48.525%0.24626%0.26CS..Hα-helixtrans-55.2-56.2174.6178.7-84.6000110.7M137 I173 K175 Q179 T180 F181M137-F177 HydrophobicContact CB-CE2 4.08Å; M137-F177 HydrophobicContact CE-CE2 3.92Å; M137-F177 HydrophobicContact CE-CZ 4.31Å; M137-F177 HydrophobicContact CG-CD2 4.22Å; M137-F177 HydrophobicContact CG-CE2 3.75Å; M137-F177 HydrophobicContact SD-CE2 4.33Å; I173-F177 VanDerWaalsContact O-CB 3.23Å; I173-F177 WeakPolarHBondContact O-CB 3.46Å; I173-F177 PolarHBondContact O-N 3Å; K175-F177 VanDerWaalsContact C-N 3.34Å; K175-F177 PolarHBondContact O-N 3.29Å; F177-Q179 VanDerWaalsContact C-N 3.31Å; F177-Q179 PolarHBondContact O-N 3.16Å; F177-T180 PolarHBondContact O-N 3.38Å; F177-F181 AromaticContact CD1-CD2 3.95Å; F177-F181 HydrophobicContact CD1-CD2 3.95Å; F177-F181 AromaticContact CD2-CD2 3.49Å; F177-F181 HydrophobicContact CD2-CD2 3.49Å; F177-F181 VanDerWaalsContact CD2-CD2 3.49Å; F177-F181 AromaticContact CD2-CE2 3.32Å; F177-F181 HydrophobicContact CD2-CE2 3.32Å; F177-F181 AromaticContact CE1-CD2 3.89Å; F177-F181 HydrophobicContact CE1-CD2 3.89Å; F177-F181 AromaticContact CE2-CD2 3.41Å; F177-F181 HydrophobicContact CE2-CD2 3.41Å; F177-F181 VanDerWaalsContact CE2-CD2 3.41Å; F177-F181 AromaticContact CE2-CE2 3.28Å; F177-F181 HydrophobicContact CE2-CE2 3.28Å; F177-F181 HydrophobicContact CE2-CG 4.48Å; F177-F181 HydrophobicContact CE2-CZ 4.25Å; F177-F181 AromaticContact CG-CD2 3.74Å; F177-F181 HydrophobicContact CG-CD2 3.74Å; F177-F181 HydrophobicContact CG-CE2 4.01Å; F177-F181 AromaticContact CZ-CD2 3.62Å; F177-F181 HydrophobicContact CZ-CD2 3.62Å; F177-F181 AromaticContact CZ-CE2 3.95Å; F177-F181 HydrophobicContact CZ-CE2 3.95Å; F177-F181 HydrophobicContact CZ-CG 4.37Å; F177-F181 WeakPolarHBondContact O-CD2 3.36Å; F177-F181 PolarHBondContact O-N 2.94Å
178V88Confident87.6Confident42 Ų4246.8 Ų46.826%0.25525%0.245SC..Hα-helixtrans-58.4-43.9-179.4169.60000111.2G174 K175 A182 I212G174-V178 WeakPolarHBondContact O-CB 3.26Å; G174-V178 VanDerWaalsContact O-CG2 3.27Å; G174-V178 WeakPolarHBondContact O-CG2 3.03Å; G174-V178 PolarHBondContact O-N 3.31Å; K175-V178 PolarHBondContact O-N 2.63Å; V178-A182 WeakPolarHBondContact O-CB 3.49Å; V178-A182 PolarHBondContact O-N 3.41Å; V178-I212 HydrophobicContact CG1-CG1 4.37Å; V178-I212 HydrophobicContact CG2-CD1 4.22Å; V178-I212 HydrophobicContact CG2-CG1 4.06Å
179Q89.6Confident88.6Confident94 Ų9447.7 Ų47.744%0.43925%0.248SC..Hα-helixtrans-61-55.1178.1-72.9176.4-40.500111.9K175 K176 F177 F181 A182 D183K175-Q179 WeakPolarHBondContact O-CB 3.36Å; K175-Q179 VanDerWaalsContact O-CG 3.26Å; K175-Q179 WeakPolarHBondContact O-CG 3.27Å; K175-Q179 PolarHBondContact O-N 3.49Å; K176-Q179 PolarHBondContact O-N 2.89Å; F177-Q179 VanDerWaalsContact C-N 3.31Å; F177-Q179 PolarHBondContact O-N 3.16Å; Q179-F181 PolarHBondContact O-N 3.37Å; Q179-A182 PolarHBondContact O-N 3.37Å; Q179-D183 WeakPolarHBondContact O-CB 3.27Å; Q179-D183 VanDerWaalsContact O-CG 3.28Å; Q179-D183 PolarHBondContact O-N 3.04Å
180T93Very high89.6Confident12 Ų1250.7 Ų50.77%0.07426%0.258CS..Hα-helixtrans-60.4-44.5-177.9-63.30000112.2W80 V134 K176 F177 C184W80-T180 HydrophobicContact CZ2-CG2 4.1Å; V134-T180 HydrophobicContact CG1-CG2 3.8Å; K176-T180 PolarHBondContact O-N 3.2Å; K176-T180 PolarHBondContact O-OG1 3.06Å; F177-T180 PolarHBondContact O-N 3.38Å; T180-C184 WeakPolarHBondContact O-CB 3.3Å; T180-C184 PolarHBondContact O-N 2.98Å
181F93.8Very high90.6Very high20 Ų2051 Ų519%0.08826%0.256CS..Hα-helixtrans-77.8-30-177.3-68.7-67.7000113.3M137 V138 I141 F177 Q179 Y185M137-F181 HydrophobicContact CB-CE1 4.44Å; M137-F181 HydrophobicContact CB-CE2 3.74Å; M137-F181 HydrophobicContact CB-CZ 3.4Å; V138-F181 HydrophobicContact CG2-CE1 4.13Å; V138-F181 HydrophobicContact CG2-CZ 3.99Å; I141-F181 HydrophobicContact CD1-CD1 3.64Å; I141-F181 HydrophobicContact CD1-CE1 3.24Å; I141-F181 HydrophobicContact CD1-CZ 3.91Å; F177-F181 AromaticContact CD1-CD2 3.95Å; F177-F181 HydrophobicContact CD1-CD2 3.95Å; F177-F181 AromaticContact CD2-CD2 3.49Å; F177-F181 HydrophobicContact CD2-CD2 3.49Å; F177-F181 VanDerWaalsContact CD2-CD2 3.49Å; F177-F181 AromaticContact CD2-CE2 3.32Å; F177-F181 HydrophobicContact CD2-CE2 3.32Å; F177-F181 AromaticContact CE1-CD2 3.89Å; F177-F181 HydrophobicContact CE1-CD2 3.89Å; F177-F181 AromaticContact CE2-CD2 3.41Å; F177-F181 HydrophobicContact CE2-CD2 3.41Å; F177-F181 VanDerWaalsContact CE2-CD2 3.41Å; F177-F181 AromaticContact CE2-CE2 3.28Å; F177-F181 HydrophobicContact CE2-CE2 3.28Å; F177-F181 HydrophobicContact CE2-CG 4.48Å; F177-F181 HydrophobicContact CE2-CZ 4.25Å; F177-F181 AromaticContact CG-CD2 3.74Å; F177-F181 HydrophobicContact CG-CD2 3.74Å; F177-F181 HydrophobicContact CG-CE2 4.01Å; F177-F181 AromaticContact CZ-CD2 3.62Å; F177-F181 HydrophobicContact CZ-CD2 3.62Å; F177-F181 AromaticContact CZ-CE2 3.95Å; F177-F181 HydrophobicContact CZ-CE2 3.95Å; F177-F181 HydrophobicContact CZ-CG 4.37Å; F177-F181 WeakPolarHBondContact O-CD2 3.36Å; F177-F181 PolarHBondContact O-N 2.94Å; Q179-F181 PolarHBondContact O-N 3.37Å; F181-Y185 AromaticContact CD1-CD2 3.45Å; F181-Y185 HydrophobicContact CD1-CD2 3.45Å; F181-Y185 VanDerWaalsContact CD1-CD2 3.45Å; F181-Y185 HydrophobicContact CD1-CE2 4.13Å; F181-Y185 AromaticContact CD1-CG 3.88Å; F181-Y185 HydrophobicContact CD1-CG 3.88Å; F181-Y185 AromaticContact CE1-CD2 3.79Å; F181-Y185 HydrophobicContact CE1-CD2 3.79Å; F181-Y185 AromaticContact CE1-CE2 3.99Å; F181-Y185 HydrophobicContact CE1-CE2 3.99Å; F181-Y185 HydrophobicContact CE1-CG 4.37Å; F181-Y185 CarbonylContact O-C 3.56Å; F181-Y185 VanDerWaalsContact O-CA 3.32Å; F181-Y185 WeakPolarHBondContact O-CA 3.36Å; F181-Y185 PolarHBondContact O-N 3.23Å
182A92.5Very high91.6Very high48 Ų4850.2 Ų50.240%0.39725%0.247SC..Hα-helixtrans-66.5-40.1171.100000111.7Q73 V178 Q179Q73-A182 PolarHBondContact NE2-O 2.94Å; V178-A182 WeakPolarHBondContact O-CB 3.49Å; V178-A182 PolarHBondContact O-N 3.41Å; Q179-A182 PolarHBondContact O-N 3.37Å
183D93.7Very high92.4Very high67 Ų6742.9 Ų42.936%0.35822%0.215SC..Hα-helixtrans-78.5-43.6-176.1-67.6-23.2000112.4Q73 Q179Q73-D183 PolarHBondContact NE2-O 2.98Å; Q179-D183 WeakPolarHBondContact O-CB 3.27Å; Q179-D183 VanDerWaalsContact O-CG 3.28Å; Q179-D183 PolarHBondContact O-N 3.04Å
184C96.5Very high93.1Very high7 Ų742.2 Ų42.25%0.04721%0.212CC..Hα-helixtrans-104-19.6-169.8-58.60000114.5W80 T180W80-C184 HydrophobicContact CD2-CB 4.3Å; W80-C184 HydrophobicContact CE3-CB 3.84Å; W80-C184 VanDerWaalsContact CE3-SG 3.59Å; W80-C184 HydrophobicContact CZ3-CB 4.09Å; T180-C184 WeakPolarHBondContact O-CB 3.3Å; T180-C184 PolarHBondContact O-N 2.98Å
185Y96Very high93.8Very high9 Ų941.1 Ų41.14%0.03520%0.2CC..SBendtrans-130.347.2-178.5-60-93.3000112.4W80 R81 V138 I141 E142 F181 T188W80-Y185 AromaticContact CH2-CE2 3.9Å; W80-Y185 HydrophobicContact CH2-CE2 3.9Å; W80-Y185 AromaticContact CZ3-CE2 3.91Å; W80-Y185 HydrophobicContact CZ3-CE2 3.91Å; R81-Y185 PolarHBondContact NH1-OH 3.07Å; V138-Y185 HydrophobicContact CG2-CE2 4.29Å; I141-Y185 HydrophobicContact CG2-CD1 3.67Å; I141-Y185 HydrophobicContact CG2-CE1 3.73Å; E142-Y185 WeakPolarHBondContact OE1-CE1 3.31Å; E142-Y185 PolarHBondContact OE1-OH 2.75Å; F181-Y185 AromaticContact CD1-CD2 3.45Å; F181-Y185 HydrophobicContact CD1-CD2 3.45Å; F181-Y185 VanDerWaalsContact CD1-CD2 3.45Å; F181-Y185 HydrophobicContact CD1-CE2 4.13Å; F181-Y185 AromaticContact CD1-CG 3.88Å; F181-Y185 HydrophobicContact CD1-CG 3.88Å; F181-Y185 AromaticContact CE1-CD2 3.79Å; F181-Y185 HydrophobicContact CE1-CD2 3.79Å; F181-Y185 AromaticContact CE1-CE2 3.99Å; F181-Y185 HydrophobicContact CE1-CE2 3.99Å; F181-Y185 HydrophobicContact CE1-CG 4.37Å; F181-Y185 CarbonylContact O-C 3.56Å; F181-Y185 VanDerWaalsContact O-CA 3.32Å; F181-Y185 WeakPolarHBondContact O-CA 3.36Å; F181-Y185 PolarHBondContact O-N 3.23Å; Y185-T188 VanDerWaalsContact O-CB 3.3Å; Y185-T188 WeakPolarHBondContact O-CB 3.38Å; Y185-T188 PolarHBondContact O-N 3.44Å; Y185-T188 PolarHBondContact O-OG1 3.32Å; Y185-T188 VanDerWaalsContact O-OG1 3.07Å
186P95.8Very high94.3Very high7 Ų737.1 Ų37.15%0.04519%0.185CC..THydrogen-bonded Turntrans-54.9146.7177.823-32000110.9R58 F59 A62 T188R58-P186 WeakPolarHBondContact CD-O 3.49Å; F59-P186 HydrophobicContact CD1-CG 4.02Å; F59-P186 HydrophobicContact CD2-CG 3.73Å; F59-P186 HydrophobicContact CE1-CG 3.88Å; F59-P186 HydrophobicContact CE2-CG 3.61Å; F59-P186 HydrophobicContact CG-CG 3.96Å; F59-P186 HydrophobicContact CZ-CG 3.69Å; A62-P186 HydrophobicContact CB-CB 3.4Å; A62-P186 VanDerWaalsContact CB-CB 3.4Å; A62-P186 HydrophobicContact CB-CG 4.4Å; P186-T188 PolarHBondContact O-N 3.43Å; P186-T188 PolarHBondContact O-OG1 3Å
187E95.1Very high94.3Very high49 Ų4934.9 Ų34.923%0.22918%0.176CC..THydrogen-bonded Turntrans5128.4176.1-63.1-55.313300115.7R58 V61 A62 T154 N215 K219R58-E187 HydrophobicContact CB-CB 4.11Å; R58-E187 HydrophobicContact CG-CB 3.98Å; V61-E187 HydrophobicContact CB-CG 4.02Å; V61-E187 HydrophobicContact CG1-CG 3.7Å; A62-E187 HydrophobicContact CB-CG 4.28Å; T154-E187 WeakPolarHBondContact CG2-O 3.42Å; E187-N215 PolarHBondContact OE1-ND2 2.88Å; E187-N215 VanDerWaalsContact OE1-ND2 3.11Å; E187-K219 IonicContact OE1-NZ 2.7Å; E187-K219 IonicContact OE2-NZ 3.95Å; E187-K219 PolarHBondContact OE2-NZ 3.36Å
188T95.7Very high94.1Very high7 Ų734.2 Ų34.24%0.04318%0.178CC..  trans-93-24.4177.2-60.90000112.5I141 T154 L155 Y185 P186I141-T188 HydrophobicContact CG2-CG2 4.24Å; T154-T188 CarbonylContact C-O 3.55Å; T154-T188 WeakPolarHBondContact CA-O 3.43Å; T154-T188 WeakPolarHBondContact CB-O 3.41Å; L155-T188 HydrophobicContact CD1-CG2 3.62Å; L155-T188 PolarHBondContact N-O 2.93Å; Y185-T188 VanDerWaalsContact O-CB 3.3Å; Y185-T188 WeakPolarHBondContact O-CB 3.38Å; Y185-T188 PolarHBondContact O-N 3.44Å; Y185-T188 PolarHBondContact O-OG1 3.32Å; Y185-T188 VanDerWaalsContact O-OG1 3.07Å; P186-T188 PolarHBondContact O-N 3.43Å; P186-T188 PolarHBondContact O-OG1 3Å
189L96.3Very high93.7Very high36 Ų3637.2 Ų37.219%0.18820%0.196CC..EExtended strand (participates in β ladder)trans-84.1126.4177.3179.865000111F157 F192 T216 K219F157-L189 HydrophobicContact CD2-CD1 3.68Å; F157-L189 HydrophobicContact CE2-CD1 4.19Å; L189-F192 HydrophobicContact CD1-CB 4.13Å; L189-F192 HydrophobicContact CD1-CD2 4.36Å; L189-F192 HydrophobicContact CD2-CB 4.14Å; L189-T216 HydrophobicContact CD2-CG2 4.33Å; L189-K219 HydrophobicContact CD2-CB 4.19Å; L189-K219 HydrophobicContact CG-CB 4.43Å; L189-K219 HydrophobicContact CG-CD 4.48Å; L189-K219 WeakPolarHBondContact O-CD 3.49Å; L189-K219 PolarHBondContact O-NZ 3.48Å
190Y97.5Very high93.1Very high84 Ų8433.9 Ų33.933%0.32918%0.181SC..EExtended strand (participates in β ladder)trans-90.7-61.1166.6174.7-129.7000111.3R113 L155 V156 K219 M235R113-Y190 VanDerWaalsContact CD-CD1 3.42Å; R113-Y190 VanDerWaalsContact NH1-CE1 3.33Å; L155-Y190 WeakPolarHBondContact O-CB 3.33Å; L155-Y190 PolarHBondContact O-N 3.43Å; V156-Y190 HydrophobicContact CG2-CD1 3.64Å; V156-Y190 HydrophobicContact CG2-CE1 4.45Å; Y190-K219 WeakPolarHBondContact O-CB 3.42Å; Y190-K219 WeakPolarHBondContact O-CG 3.31Å; Y190-M235 HydrophobicContact CE1-CE 4.23Å
191K97.9Very high92.5Very high55 Ų5534.4 Ų34.424%0.23918%0.182CC..EExtended strand (participates in β ladder)trans-140.2142.1176.9-72.9-157.3-179.3-175.90112.3V156 F157 I193 K219 M235V156-K191 WeakPolarHBondContact CA-O 3.26Å; F157-K191 PolarHBondContact N-O 2.92Å; K191-I193 HydrophobicContact CB-CD1 4.47Å; K191-I193 HydrophobicContact CB-CG1 4.22Å; K191-K219 WeakPolarHBondContact CA-O 3.29Å; K191-M235 HydrophobicContact CB-CE 4.36Å; K191-M235 HydrophobicContact CD-CE 3.94Å; K191-M235 HydrophobicContact CD-SD 4.04Å; K191-M235 HydrophobicContact CG-CE 4.47Å
192F97Very high91.9Very high49 Ų4934.6 Ų34.622%0.21518%0.183CC..EExtended strand (participates in β ladder)trans-120.6105.3172.2-162.2-77.7000108.9F157 I159 L189 L194 K219 V220 K221F157-F192 HydrophobicContact CB-CD2 3.6Å; F157-F192 HydrophobicContact CB-CE2 3.9Å; F157-F192 HydrophobicContact CB-CG 4.15Å; F157-F192 HydrophobicContact CD1-CE2 4.44Å; F157-F192 HydrophobicContact CD2-CD2 4.24Å; F157-F192 AromaticContact CG-CD2 3.95Å; F157-F192 HydrophobicContact CG-CD2 3.95Å; F157-F192 HydrophobicContact CG-CE2 4.1Å; I159-F192 HydrophobicContact CB-CE1 4.33Å; I159-F192 HydrophobicContact CD1-CE1 4.43Å; I159-F192 HydrophobicContact CD1-CE2 4.44Å; I159-F192 HydrophobicContact CD1-CZ 3.94Å; I159-F192 HydrophobicContact CG1-CD1 4.25Å; I159-F192 HydrophobicContact CG1-CE1 3.4Å; I159-F192 HydrophobicContact CG1-CE2 4.2Å; I159-F192 HydrophobicContact CG1-CZ 3.38Å; L189-F192 HydrophobicContact CD1-CB 4.13Å; L189-F192 HydrophobicContact CD1-CD2 4.36Å; L189-F192 HydrophobicContact CD2-CB 4.14Å; F192-L194 HydrophobicContact CD1-CD1 3.7Å; F192-L194 HydrophobicContact CD1-CG 4.15Å; F192-L194 HydrophobicContact CE1-CD1 3.91Å; F192-L194 HydrophobicContact CE1-CD2 4.27Å; F192-L194 HydrophobicContact CE1-CG 3.98Å; F192-K219 PolarHBondContact N-O 3Å; F192-V220 HydrophobicContact CB-CG2 4.18Å; F192-V220 HydrophobicContact CD1-CG1 4.49Å; F192-V220 CarbonylContact O-C 3.55Å; F192-V220 VanDerWaalsContact O-CA 3.29Å; F192-V220 WeakPolarHBondContact O-CA 3.45Å; F192-K221 PolarHBondContact O-N 2.77Å
193I97.9Very high91.3Very high1 Ų132.5 Ų32.51%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-107.3120.6-169.5-57.5177.3000108.5V156 F157 I158 I159 K191 I195 K221 L223 M235V156-I193 HydrophobicContact CG1-CD1 4.48Å; F157-I193 PolarHBondContact O-N 3.18Å; I158-I193 CarbonylContact C-O 3.51Å; I158-I193 WeakPolarHBondContact CA-O 3.47Å; I158-I193 HydrophobicContact CG1-CB 4.28Å; I158-I193 HydrophobicContact CG1-CD1 4.47Å; I159-I193 PolarHBondContact N-O 2.89Å; K191-I193 HydrophobicContact CB-CD1 4.47Å; K191-I193 HydrophobicContact CB-CG1 4.22Å; I193-I195 HydrophobicContact CG2-CG2 4.08Å; I193-K221 CarbonylContact C-O 3.38Å; I193-K221 WeakPolarHBondContact CA-O 3.49Å; I193-K221 HydrophobicContact CG1-CB 4.48Å; I193-L223 HydrophobicContact CG2-CD1 3.38Å; I193-L223 HydrophobicContact CG2-CG 3.71Å; I193-M235 HydrophobicContact CD1-CE 3.89Å; I193-M235 HydrophobicContact CD1-SD 3.66Å
194L96.6Very high90.6Very high8 Ų829.4 Ų29.44%0.04215%0.149CC..EExtended strand (participates in β ladder)trans-104129.7172.5-61.6105.4000109.9I159 F192 F201 V220 K221 L222 L223I159-L194 HydrophobicContact CB-CD2 4.44Å; I159-L194 HydrophobicContact CB-CG 4.35Å; I159-L194 HydrophobicContact CG2-CD2 4.49Å; I159-L194 WeakPolarHBondContact O-CA 3.46Å; F192-L194 HydrophobicContact CD1-CD1 3.7Å; F192-L194 HydrophobicContact CD1-CG 4.15Å; F192-L194 HydrophobicContact CE1-CD1 3.91Å; F192-L194 HydrophobicContact CE1-CD2 4.27Å; F192-L194 HydrophobicContact CE1-CG 3.98Å; L194-F201 HydrophobicContact CD1-CE1 4.17Å; L194-F201 HydrophobicContact CD1-CZ 4.26Å; L194-F201 HydrophobicContact CD2-CD1 4.5Å; L194-F201 HydrophobicContact CD2-CE1 3.66Å; L194-F201 HydrophobicContact CD2-CE2 3.89Å; L194-F201 HydrophobicContact CD2-CZ 3.3Å; L194-F201 HydrophobicContact CG-CE1 4.4Å; L194-F201 HydrophobicContact CG-CZ 4.37Å; L194-V220 HydrophobicContact CD1-CG1 3.6Å; L194-K221 PolarHBondContact N-O 2.82Å; L194-L222 HydrophobicContact CD1-CD1 4.18Å; L194-L223 PolarHBondContact O-N 3.03Å
195I96.6Very high89.9Confident0 Ų030 Ų300%015%0.151CC..EExtended strand (participates in β ladder)trans-123.8161.3177.565.3174.5000109.8I158 I159 D160 C161 I193 H197 L223 I228 F232 I248I158-I195 HydrophobicContact CG2-CD1 4.11Å; I159-I195 PolarHBondContact O-N 3.38Å; D160-I195 HydrophobicContact CB-CD1 4.13Å; D160-I195 HydrophobicContact CB-CG1 4.08Å; C161-I195 VanDerWaalsContact CB-O 3.31Å; C161-I195 WeakPolarHBondContact CB-O 3.16Å; C161-I195 PolarHBondContact N-O 3.48Å; I193-I195 HydrophobicContact CG2-CG2 4.08Å; I195-H197 PolarHBondContact O-N 2.93Å; I195-L223 HydrophobicContact CG2-CB 4.21Å; I195-L223 HydrophobicContact CG2-CD1 4.3Å; I195-I228 HydrophobicContact CB-CD1 3.86Å; I195-I228 HydrophobicContact CB-CG1 4.39Å; I195-I228 HydrophobicContact CG2-CD1 4.03Å; I195-I228 HydrophobicContact CG2-CG1 4.02Å; I195-F232 HydrophobicContact CD1-CZ 4.4Å; I195-F232 HydrophobicContact CG2-CZ 4.35Å; I195-I248 HydrophobicContact CD1-CD1 3.24Å; I195-I248 HydrophobicContact CD1-CG1 3.57Å; I195-I248 HydrophobicContact CD1-CG2 4.43Å
196N93Very high89.3Confident50 Ų5034 Ų3427%0.26717%0.168SC..SBendtrans52.424.1179.3-57.8-41.2000113.8D160 T162 I248D160-N196 WeakPolarHBondContact OD1-CB 3.03Å; D160-N196 PolarHBondContact OD1-ND2 3.4Å; T162-N196 PolarHBondContact OG1-ND2 3.1Å; N196-I248 WeakPolarHBondContact ND2-CG2 3.37Å
197H89.5Confident88.4Confident32 Ų3235.2 Ų35.215%0.14818%0.178CC..  trans-71.7145.6177.364.278.8000110.2C161 I195 F201 H202C161-H197 HydrophobicContact CB-CB 3.94Å; I195-H197 PolarHBondContact O-N 2.93Å; H197-F201 HydrophobicContact CB-CB 4.1Å; H197-F201 HydrophobicContact CB-CD1 4.23Å; H197-F201 HydrophobicContact CB-CG 4.23Å; H197-H202 AromaticContact CE1-CE1 3.62Å; H197-H202 AromaticContact CE1-NE2 3.24Å; H197-H202 PolarHBondContact CE1-NE2 3.1Å; H197-H202 AromaticContact ND1-NE2 3.67Å
198S84.6Confident87.6Confident41 Ų4135.3 Ų35.329%0.28718%0.18SC..  trans-76.4168.1172.860.40000111F200 F201S198-F200 VanDerWaalsContact C-N 3.29Å; S198-F200 PolarHBondContact O-N 2.7Å; S198-F200 WeakPolarHBondContact OG-CD1 3.41Å; S198-F200 WeakPolarHBondContact OG-CE1 3.49Å; S198-F200 WeakPolarHBondContact OG-CG 3.2Å; S198-F200 VanDerWaalsContact OG-CZ 3.28Å; S198-F200 WeakPolarHBondContact OG-CZ 3.32Å; S198-F201 WeakPolarHBondContact O-CB 3.3Å; S198-F201 PolarHBondContact O-N 3.47Å
199T79.2Confident86.9Confident105 Ų10538.6 Ų38.664%0.64419%0.194SC*.THydrogen-bonded Turntrans-63.8-32.6176.149.50000112.8F201 H202 L385T199-F201 PolarHBondContact O-N 3.04Å; T199-H202 PolarHBondContact O-CD2 3.46Å; T199-H202 PolarHBondContact O-N 3.41Å; T199-L385 HydrophobicContact CG2-CD1 4.05Å
200F77.9Confident86.2Confident25 Ų2542.2 Ų42.211%0.1122%0.217CC..Hα-helixtrans-62.1-28.4178.576.5-110000113L164 V166 S198 H202 G203 I204 P369 L374L164-F200 HydrophobicContact CD2-CE2 4.37Å; L164-F200 HydrophobicContact CD2-CZ 4.25Å; L164-F200 HydrophobicContact CG-CZ 4.09Å; V166-F200 HydrophobicContact CG2-CD2 3.68Å; V166-F200 HydrophobicContact CG2-CE1 4.47Å; V166-F200 HydrophobicContact CG2-CE2 3.6Å; V166-F200 HydrophobicContact CG2-CG 4.23Å; V166-F200 HydrophobicContact CG2-CZ 4.04Å; S198-F200 VanDerWaalsContact C-N 3.29Å; S198-F200 PolarHBondContact O-N 2.7Å; S198-F200 WeakPolarHBondContact OG-CD1 3.41Å; S198-F200 WeakPolarHBondContact OG-CE1 3.49Å; S198-F200 WeakPolarHBondContact OG-CG 3.2Å; S198-F200 VanDerWaalsContact OG-CZ 3.28Å; S198-F200 WeakPolarHBondContact OG-CZ 3.32Å; F200-H202 PolarHBondContact O-N 3.29Å; F200-G203 PolarHBondContact O-N 3.22Å; F200-G203 VanDerWaalsContact O-N 3.15Å; F200-I204 HydrophobicContact CD2-CD1 3.59Å; F200-I204 HydrophobicContact CD2-CG1 4.28Å; F200-I204 HydrophobicContact CE2-CD1 3.66Å; F200-I204 PolarHBondContact O-N 3.07Å; F200-P369 HydrophobicContact CB-CG 4.24Å; F200-P369 HydrophobicContact CD1-CG 3.67Å; F200-P369 HydrophobicContact CE1-CG 4.15Å; F200-P369 HydrophobicContact CG-CG 3.93Å; F200-L374 HydrophobicContact CB-CD2 3.71Å; F200-L374 HydrophobicContact CG-CD2 4.33Å
201F80.4Confident85.4Confident22 Ų2246.2 Ų46.210%0.09624%0.236CC..Hα-helixtrans-61.6-29.2-178.8-175.5-96.9000111.9L164 L194 H197 S198 T199 G203 I204 W205 L222L164-F201 HydrophobicContact CD2-CD2 3.81Å; L164-F201 HydrophobicContact CD2-CE2 4.47Å; L194-F201 HydrophobicContact CD1-CE1 4.17Å; L194-F201 HydrophobicContact CD1-CZ 4.26Å; L194-F201 HydrophobicContact CD2-CD1 4.5Å; L194-F201 HydrophobicContact CD2-CE1 3.66Å; L194-F201 HydrophobicContact CD2-CE2 3.89Å; L194-F201 HydrophobicContact CD2-CZ 3.3Å; L194-F201 HydrophobicContact CG-CE1 4.4Å; L194-F201 HydrophobicContact CG-CZ 4.37Å; H197-F201 HydrophobicContact CB-CB 4.1Å; H197-F201 HydrophobicContact CB-CD1 4.23Å; H197-F201 HydrophobicContact CB-CG 4.23Å; S198-F201 WeakPolarHBondContact O-CB 3.3Å; S198-F201 PolarHBondContact O-N 3.47Å; T199-F201 PolarHBondContact O-N 3.04Å; F201-G203 VanDerWaalsContact C-N 3.34Å; F201-G203 PolarHBondContact O-N 2.96Å; F201-I204 PolarHBondContact O-N 3.35Å; F201-W205 HydrophobicContact CD1-CB 4.37Å; F201-W205 HydrophobicContact CE1-CB 4.02Å; F201-W205 VanDerWaalsContact O-CB 3.3Å; F201-W205 WeakPolarHBondContact O-CB 3.2Å; F201-W205 PolarHBondContact O-N 2.88Å; F201-L222 HydrophobicContact CD1-CD2 3.82Å; F201-L222 HydrophobicContact CD1-CG 4.32Å; F201-L222 HydrophobicContact CE1-CD1 4.43Å; F201-L222 HydrophobicContact CE1-CD2 3.93Å; F201-L222 HydrophobicContact CE1-CG 4.1Å
202H80.8Confident84.7Confident24 Ų2444.6 Ų44.611%0.11123%0.23CC..Hα-helixtrans-62.4-40.3176.8-70.5-77000112.7H197 T199 F200 W205 K206 L385H197-H202 AromaticContact CE1-CE1 3.62Å; H197-H202 AromaticContact CE1-NE2 3.24Å; H197-H202 PolarHBondContact CE1-NE2 3.1Å; H197-H202 AromaticContact ND1-NE2 3.67Å; T199-H202 PolarHBondContact O-CD2 3.46Å; T199-H202 PolarHBondContact O-N 3.41Å; F200-H202 PolarHBondContact O-N 3.29Å; H202-W205 PolarHBondContact O-N 3.3Å; H202-K206 WeakPolarHBondContact O-CB 3.34Å; H202-K206 PolarHBondContact O-N 3.04Å; H202-L385 HydrophobicContact CB-CD2 3.42Å; H202-L385 VanDerWaalsContact CB-CD2 3.42Å
203G79.1Confident84.2Confident4 Ų446.8 Ų46.84%0.04124%0.244CC..Hα-helixtrans-67-42.4174.900000112F200 F201 W205 K206 A207F200-G203 PolarHBondContact O-N 3.22Å; F200-G203 VanDerWaalsContact O-N 3.15Å; F201-G203 VanDerWaalsContact C-N 3.34Å; F201-G203 PolarHBondContact O-N 2.96Å; G203-W205 VanDerWaalsContact C-N 3.3Å; G203-W205 PolarHBondContact O-N 3.32Å; G203-K206 PolarHBondContact O-N 2.78Å; G203-A207 PolarHBondContact O-N 3.17Å
204I78.8Confident83.9Confident3 Ų351.1 Ų51.12%0.01527%0.272CS..Hα-helixtrans-59.7-45.7175.4-63.7-177.4000109.9V166 C169 F200 F201 K206 A207 I208 V379V166-I204 HydrophobicContact CG2-CD1 4.23Å; C169-I204 HydrophobicContact CB-CD1 3.78Å; F200-I204 HydrophobicContact CD2-CD1 3.59Å; F200-I204 HydrophobicContact CD2-CG1 4.28Å; F200-I204 HydrophobicContact CE2-CD1 3.66Å; F200-I204 PolarHBondContact O-N 3.07Å; F201-I204 PolarHBondContact O-N 3.35Å; I204-K206 VanDerWaalsContact C-N 3.34Å; I204-K206 PolarHBondContact O-N 2.76Å; I204-A207 PolarHBondContact O-N 2.92Å; I204-I208 HydrophobicContact CG2-CD1 3.48Å; I204-I208 VanDerWaalsContact CG2-CD1 3.48Å; I204-I208 HydrophobicContact CG2-CG1 4.16Å; I204-I208 WeakPolarHBondContact O-CB 3.41Å; I204-I208 VanDerWaalsContact O-CG1 3.31Å; I204-I208 WeakPolarHBondContact O-CG1 3.47Å; I204-I208 PolarHBondContact O-N 2.86Å; I204-V379 HydrophobicContact CB-CG2 4.24Å; I204-V379 HydrophobicContact CG1-CG2 3.38Å
205W83.2Confident83.5Confident20 Ų2053.8 Ų53.88%0.07629%0.287CS..Hα-helixtrans-62.6-39.8178.1178.9-125.5000112.2F201 H202 G203 A207 I208 K209 I212 V217 V220 L222F201-W205 HydrophobicContact CD1-CB 4.37Å; F201-W205 HydrophobicContact CE1-CB 4.02Å; F201-W205 VanDerWaalsContact O-CB 3.3Å; F201-W205 WeakPolarHBondContact O-CB 3.2Å; F201-W205 PolarHBondContact O-N 2.88Å; H202-W205 PolarHBondContact O-N 3.3Å; G203-W205 VanDerWaalsContact C-N 3.3Å; G203-W205 PolarHBondContact O-N 3.32Å; W205-A207 VanDerWaalsContact C-N 3.32Å; W205-A207 PolarHBondContact O-N 3.27Å; W205-I208 HydrophobicContact CZ3-CG2 4.42Å; W205-I208 PolarHBondContact O-N 3.17Å; W205-K209 HydrophobicContact CD2-CB 4.43Å; W205-K209 HydrophobicContact CH2-CB 4.31Å; W205-K209 HydrophobicContact CZ2-CB 4.2Å; W205-K209 VanDerWaalsContact O-CB 3.27Å; W205-K209 WeakPolarHBondContact O-CB 3.3Å; W205-K209 VanDerWaalsContact O-CG 3.31Å; W205-K209 WeakPolarHBondContact O-CG 3.4Å; W205-K209 PolarHBondContact O-N 2.93Å; W205-I212 HydrophobicContact CH2-CD1 3.97Å; W205-I212 HydrophobicContact CZ3-CD1 3.67Å; W205-V217 HydrophobicContact CH2-CG2 4.46Å; W205-V217 HydrophobicContact CZ2-CB 4.48Å; W205-V217 HydrophobicContact CZ2-CG1 3.98Å; W205-V217 HydrophobicContact CZ2-CG2 4.5Å; W205-V220 HydrophobicContact CH2-CB 3.75Å; W205-V220 HydrophobicContact CH2-CG1 3.88Å; W205-V220 HydrophobicContact CH2-CG2 3.51Å; W205-V220 HydrophobicContact CZ2-CB 3.66Å; W205-V220 HydrophobicContact CZ2-CG1 3.8Å; W205-V220 HydrophobicContact CZ2-CG2 3.96Å; W205-V220 HydrophobicContact CZ3-CG1 4.32Å; W205-V220 HydrophobicContact CZ3-CG2 4.28Å; W205-L222 HydrophobicContact CG-CD1 4.44Å; W205-L222 HydrophobicContact CG-CD2 4.47Å
206K81.7Confident83.2Confident93 Ų9356.1 Ų56.140%0.40430%0.301SS..Hα-helixtrans-63.1-37.3175.6-173.3-175.5173.8-175.70112.3H202 G203 I204 K209 D383H202-K206 WeakPolarHBondContact O-CB 3.34Å; H202-K206 PolarHBondContact O-N 3.04Å; G203-K206 PolarHBondContact O-N 2.78Å; I204-K206 VanDerWaalsContact C-N 3.34Å; I204-K206 PolarHBondContact O-N 2.76Å; K206-K209 WeakPolarHBondContact O-CG 3.45Å; K206-D383 WeakPolarHBondContact CD-OD2 3.45Å; K206-D383 IonicContact NZ-OD1 3.95Å; K206-D383 PolarHBondContact NZ-OD1 3.16Å; K206-D383 IonicContact NZ-OD2 3.28Å; K206-D383 PolarHBondContact NZ-OD2 3.31Å
207A76.8Confident83.1Confident31 Ų3155.6 Ų55.626%0.25630%0.299SS..Hα-helixtrans-72-46.4175.100000112.1G203 I204 W205G203-A207 PolarHBondContact O-N 3.17Å; I204-A207 PolarHBondContact O-N 2.92Å; W205-A207 VanDerWaalsContact C-N 3.32Å; W205-A207 PolarHBondContact O-N 3.27Å
208I78.3Confident83.3Confident51 Ų5161.4 Ų61.426%0.26232%0.324SS..Hα-helixtrans-67.6-41.2-176.9-69.7176.6000111.9I204 W205 V210 F211 I212I204-I208 HydrophobicContact CG2-CD1 3.48Å; I204-I208 VanDerWaalsContact CG2-CD1 3.48Å; I204-I208 HydrophobicContact CG2-CG1 4.16Å; I204-I208 WeakPolarHBondContact O-CB 3.41Å; I204-I208 VanDerWaalsContact O-CG1 3.31Å; I204-I208 WeakPolarHBondContact O-CG1 3.47Å; I204-I208 PolarHBondContact O-N 2.86Å; W205-I208 HydrophobicContact CZ3-CG2 4.42Å; W205-I208 PolarHBondContact O-N 3.17Å; I208-V210 PolarHBondContact O-N 3.41Å; I208-F211 PolarHBondContact O-N 3.07Å; I208-I212 HydrophobicContact CG2-CD1 3.56Å; I208-I212 HydrophobicContact CG2-CG1 4.24Å
209K81.9Confident83.9Confident77 Ų7760.9 Ų60.934%0.33532%0.317SS..G310 helixtrans-60.8-20.6-174.373.3-176.5-174.1177.80113.8W205 K206 F211 I212 V217W205-K209 HydrophobicContact CD2-CB 4.43Å; W205-K209 HydrophobicContact CH2-CB 4.31Å; W205-K209 HydrophobicContact CZ2-CB 4.2Å; W205-K209 VanDerWaalsContact O-CB 3.27Å; W205-K209 WeakPolarHBondContact O-CB 3.3Å; W205-K209 VanDerWaalsContact O-CG 3.31Å; W205-K209 WeakPolarHBondContact O-CG 3.4Å; W205-K209 PolarHBondContact O-N 2.93Å; K206-K209 WeakPolarHBondContact O-CG 3.45Å; K209-F211 PolarHBondContact O-N 3.01Å; K209-I212 PolarHBondContact O-N 2.68Å; K209-V217 HydrophobicContact CB-CG2 4.05Å
210V82.4Confident84.6Confident111 Ų11156.8 Ų56.867%0.67329%0.292SS*.G310 helixtrans-60.9-29.6175.8178.20000111.6I208I208-V210 PolarHBondContact O-N 3.41Å
211F79Confident85.4Confident168 Ų16859.2 Ų59.274%0.73730%0.302SS*.G310 helixtrans-97.62.6-179.6-51.8-75.1000113.3I208 K209I208-F211 PolarHBondContact O-N 3.07Å; K209-F211 PolarHBondContact O-N 3.01Å
212I84.5Confident86Confident21 Ų2159.8 Ų59.811%0.10831%0.306CS..SBendtrans-108.5135.1-176.5-61.7-179.7000108.9V178 W205 I208 K209 T216 V217V178-I212 HydrophobicContact CG1-CG1 4.37Å; V178-I212 HydrophobicContact CG2-CD1 4.22Å; V178-I212 HydrophobicContact CG2-CG1 4.06Å; W205-I212 HydrophobicContact CH2-CD1 3.97Å; W205-I212 HydrophobicContact CZ3-CD1 3.67Å; I208-I212 HydrophobicContact CG2-CD1 3.56Å; I208-I212 HydrophobicContact CG2-CG1 4.24Å; K209-I212 PolarHBondContact O-N 2.68Å; I212-T216 HydrophobicContact CG2-CG2 3.55Å; I212-V217 HydrophobicContact CB-CG2 3.9Å; I212-V217 HydrophobicContact CG2-CG2 3.75Å
213D86.7Confident86.7Confident96 Ų9659.6 Ų59.651%0.51331%0.306SS..  trans-53.9137.1174.9174.285.2000111.8N215 T216 V217D213-N215 VanDerWaalsContact C-N 3.26Å; D213-N215 PolarHBondContact O-N 3.11Å; D213-N215 VanDerWaalsContact O-N 3.16Å; D213-N215 WeakPolarHBondContact OD2-CA 3.22Å; D213-N215 WeakPolarHBondContact OD2-CB 3.38Å; D213-N215 PolarHBondContact OD2-N 2.9Å; D213-T216 WeakPolarHBondContact O-CA 3.42Å; D213-T216 WeakPolarHBondContact O-CB 3.38Å; D213-T216 PolarHBondContact O-N 2.97Å; D213-T216 PolarHBondContact OD2-N 3.35Å; D213-V217 PolarHBondContact O-N 3.49Å
214P90Very high87.3Confident91 Ų9166 Ų6659%0.59133%0.329SS*.Hα-helixtrans-55.4-32.4-178-28.435.8000115.5T216 V217 K218P214-T216 VanDerWaalsContact C-N 3.35Å; P214-V217 PolarHBondContact O-N 3.37Å; P214-K218 WeakPolarHBondContact O-CG 3.34Å; P214-K218 PolarHBondContact O-N 3.27Å
215N88.9Confident88Confident65 Ų6573 Ų7335%0.34836%0.359SS..Hα-helixtrans-65-42.7174.3-172.134.9000110.5E187 D213 K218 K219E187-N215 PolarHBondContact OE1-ND2 2.88Å; E187-N215 VanDerWaalsContact OE1-ND2 3.11Å; D213-N215 VanDerWaalsContact C-N 3.26Å; D213-N215 PolarHBondContact O-N 3.11Å; D213-N215 VanDerWaalsContact O-N 3.16Å; D213-N215 WeakPolarHBondContact OD2-CA 3.22Å; D213-N215 WeakPolarHBondContact OD2-CB 3.38Å; D213-N215 PolarHBondContact OD2-N 2.9Å; N215-K218 PolarHBondContact O-N 3.16Å; N215-K219 WeakPolarHBondContact O-CG 3.35Å; N215-K219 PolarHBondContact O-N 3.08Å
216T90Very high88.6Confident49 Ų4979.1 Ų79.130%0.30139%0.388SS..Hα-helixtrans-66.8-39.5177.1-59.60000111.5L189 I212 D213 P214 K218 K219 V220L189-T216 HydrophobicContact CD2-CG2 4.33Å; I212-T216 HydrophobicContact CG2-CG2 3.55Å; D213-T216 WeakPolarHBondContact O-CA 3.42Å; D213-T216 WeakPolarHBondContact O-CB 3.38Å; D213-T216 PolarHBondContact O-N 2.97Å; D213-T216 PolarHBondContact OD2-N 3.35Å; P214-T216 VanDerWaalsContact C-N 3.35Å; T216-K218 VanDerWaalsContact C-N 3.28Å; T216-K218 PolarHBondContact O-N 2.92Å; T216-K219 WeakPolarHBondContact O-CB 3.32Å; T216-K219 PolarHBondContact O-N 3.45Å; T216-K219 VanDerWaalsContact O-N 3.09Å; T216-V220 PolarHBondContact O-N 3.43Å
217V92.4Very high89.3Confident38 Ų3880.2 Ų80.223%0.2339%0.393CS..Hα-helixtrans-56.8-41.1174.1173.20000111.7W205 K209 I212 D213 P214 K219 V220W205-V217 HydrophobicContact CH2-CG2 4.46Å; W205-V217 HydrophobicContact CZ2-CB 4.48Å; W205-V217 HydrophobicContact CZ2-CG1 3.98Å; W205-V217 HydrophobicContact CZ2-CG2 4.5Å; K209-V217 HydrophobicContact CB-CG2 4.05Å; I212-V217 HydrophobicContact CB-CG2 3.9Å; I212-V217 HydrophobicContact CG2-CG2 3.75Å; D213-V217 PolarHBondContact O-N 3.49Å; P214-V217 PolarHBondContact O-N 3.37Å; V217-K219 VanDerWaalsContact C-N 3.26Å; V217-K219 PolarHBondContact O-N 3.35Å; V217-V220 PolarHBondContact O-N 3.4Å; V217-V220 VanDerWaalsContact O-N 3.15Å
218K93.8Very high90.3Very high154 Ų15479.1 Ų79.167%0.6738%0.383SS*.Hα-helixtrans-64.9-27.5178.4-70.6173.7-177.7-175.80113.7P214 N215 T216 V220P214-K218 WeakPolarHBondContact O-CG 3.34Å; P214-K218 PolarHBondContact O-N 3.27Å; N215-K218 PolarHBondContact O-N 3.16Å; T216-K218 VanDerWaalsContact C-N 3.28Å; T216-K218 PolarHBondContact O-N 2.92Å; K218-V220 VanDerWaalsContact C-N 3.29Å
219K95.3Very high91.2Very high31 Ų3179.9 Ų79.914%0.13539%0.39CS..Hα-helixtrans-76.5-16177.7-63.2170177.5-173.20112.3E187 L189 Y190 K191 F192 N215 T216 V217E187-K219 IonicContact OE1-NZ 2.7Å; E187-K219 IonicContact OE2-NZ 3.95Å; E187-K219 PolarHBondContact OE2-NZ 3.36Å; L189-K219 HydrophobicContact CD2-CB 4.19Å; L189-K219 HydrophobicContact CG-CB 4.43Å; L189-K219 HydrophobicContact CG-CD 4.48Å; L189-K219 WeakPolarHBondContact O-CD 3.49Å; L189-K219 PolarHBondContact O-NZ 3.48Å; Y190-K219 WeakPolarHBondContact O-CB 3.42Å; Y190-K219 WeakPolarHBondContact O-CG 3.31Å; K191-K219 WeakPolarHBondContact CA-O 3.29Å; F192-K219 PolarHBondContact N-O 3Å; N215-K219 WeakPolarHBondContact O-CG 3.35Å; N215-K219 PolarHBondContact O-N 3.08Å; T216-K219 WeakPolarHBondContact O-CB 3.32Å; T216-K219 PolarHBondContact O-N 3.45Å; T216-K219 VanDerWaalsContact O-N 3.09Å; V217-K219 VanDerWaalsContact C-N 3.26Å; V217-K219 PolarHBondContact O-N 3.35Å
220V94.4Very high92Very high19 Ų1981.7 Ų81.712%0.11540%0.398CS..EExtended strand (participates in β ladder)trans-86.7128.7176.4-174.40000111F192 L194 W205 T216 V217 K218 L222F192-V220 HydrophobicContact CB-CG2 4.18Å; F192-V220 HydrophobicContact CD1-CG1 4.49Å; F192-V220 CarbonylContact O-C 3.55Å; F192-V220 VanDerWaalsContact O-CA 3.29Å; F192-V220 WeakPolarHBondContact O-CA 3.45Å; L194-V220 HydrophobicContact CD1-CG1 3.6Å; W205-V220 HydrophobicContact CH2-CB 3.75Å; W205-V220 HydrophobicContact CH2-CG1 3.88Å; W205-V220 HydrophobicContact CH2-CG2 3.51Å; W205-V220 HydrophobicContact CZ2-CB 3.66Å; W205-V220 HydrophobicContact CZ2-CG1 3.8Å; W205-V220 HydrophobicContact CZ2-CG2 3.96Å; W205-V220 HydrophobicContact CZ3-CG1 4.32Å; W205-V220 HydrophobicContact CZ3-CG2 4.28Å; T216-V220 PolarHBondContact O-N 3.43Å; V217-V220 PolarHBondContact O-N 3.4Å; V217-V220 VanDerWaalsContact O-N 3.15Å; K218-V220 VanDerWaalsContact C-N 3.29Å; V220-L222 HydrophobicContact CG1-CD1 3.91Å
221K94.4Very high92.7Very high76 Ų7678.2 Ų78.233%0.3338%0.375SS..EExtended strand (participates in β ladder)trans-127.4120.3-179.9-63.2-63.5179.6-178.10111F192 I193 L194 L223F192-K221 PolarHBondContact O-N 2.77Å; I193-K221 CarbonylContact C-O 3.38Å; I193-K221 WeakPolarHBondContact CA-O 3.49Å; I193-K221 HydrophobicContact CG1-CB 4.48Å; L194-K221 PolarHBondContact N-O 2.82Å; K221-L223 HydrophobicContact CB-CD2 4.33Å
222L93.9Very high93.7Very high33 Ų3370.2 Ų70.217%0.17334%0.34CS..EExtended strand (participates in β ladder)trans-95.3104.5174-74.768.2000107.6L194 F201 W205 V220L194-L222 HydrophobicContact CD1-CD1 4.18Å; F201-L222 HydrophobicContact CD1-CD2 3.82Å; F201-L222 HydrophobicContact CD1-CG 4.32Å; F201-L222 HydrophobicContact CE1-CD1 4.43Å; F201-L222 HydrophobicContact CE1-CD2 3.93Å; F201-L222 HydrophobicContact CE1-CG 4.1Å; W205-L222 HydrophobicContact CG-CD1 4.44Å; W205-L222 HydrophobicContact CG-CD2 4.47Å; V220-L222 HydrophobicContact CG1-CD1 3.91Å
223L94.9Very high94.3Very high20 Ų2072.9 Ų72.911%0.10535%0.354CS..  trans-93.8126.1-176-58.5-175.6000111.7I193 L194 I195 K221 I228 I231 F232I193-L223 HydrophobicContact CG2-CD1 3.38Å; I193-L223 HydrophobicContact CG2-CG 3.71Å; L194-L223 PolarHBondContact O-N 3.03Å; I195-L223 HydrophobicContact CG2-CB 4.21Å; I195-L223 HydrophobicContact CG2-CD1 4.3Å; K221-L223 HydrophobicContact CB-CD2 4.33Å; L223-I228 HydrophobicContact CB-CG1 4.23Å; L223-I231 HydrophobicContact CD1-CB 3.95Å; L223-I231 HydrophobicContact CD1-CG1 4.19Å; L223-I231 HydrophobicContact CD1-CG2 3.92Å; L223-I231 HydrophobicContact CD2-CG1 4.01Å; L223-F232 HydrophobicContact CD1-CE1 4.48Å
224R92.6Very high94.9Very high140 Ų14073.4 Ų73.453%0.52835%0.354SS..  trans-69.1150.9164.7-61.5-173.7-178.3128.43.2110.3E226 K227 I228R224-E226 WeakPolarHBondContact CB-OE2 3.42Å; R224-E226 PolarHBondContact O-N 3.39Å; R224-E226 VanDerWaalsContact O-N 3.11Å; R224-K227 PolarHBondContact O-N 3.4Å; R224-I228 PolarHBondContact O-N 3.01Å
225K93Very high95.3Very high150 Ų15069.9 Ų69.965%0.65233%0.33SS*.Hα-helixtrans-51.3-40-174.7-177.3-174.5173.3-1660113K227 I228K225-K227 PolarHBondContact O-N 3.43Å; K225-I228 PolarHBondContact O-N 2.96Å
226E94.8Very high95.7Very high147 Ų14766.8 Ų66.869%0.68731%0.313SS*.Hα-helixtrans-72.1-19.1-175.7-52.769.6-142.900112.6R224R224-E226 WeakPolarHBondContact CB-OE2 3.42Å; R224-E226 PolarHBondContact O-N 3.39Å; R224-E226 VanDerWaalsContact O-N 3.11Å
227K96.9Very high96.1Very high116 Ų11666.7 Ų66.750%0.50431%0.313SS..Hα-helixtrans-96.9-16-179.9-64.4-69.7-177174.50113.1R224 K225 T229 K230 I231R224-K227 PolarHBondContact O-N 3.4Å; K225-K227 PolarHBondContact O-N 3.43Å; K227-T229 PolarHBondContact O-N 3.42Å; K227-K230 PolarHBondContact O-N 3.06Å; K227-I231 WeakPolarHBondContact O-CG1 3.4Å; K227-I231 PolarHBondContact O-N 3.2Å
228I97.6Very high96.4Very high9 Ų970.3 Ų70.35%0.04633%0.329CS..Hα-helixtrans-53-57.7-174.1-65.8175.6000111.2I195 L223 R224 K225 K230 I231 F232 L245I195-I228 HydrophobicContact CB-CD1 3.86Å; I195-I228 HydrophobicContact CB-CG1 4.39Å; I195-I228 HydrophobicContact CG2-CD1 4.03Å; I195-I228 HydrophobicContact CG2-CG1 4.02Å; L223-I228 HydrophobicContact CB-CG1 4.23Å; R224-I228 PolarHBondContact O-N 3.01Å; K225-I228 PolarHBondContact O-N 2.96Å; I228-K230 VanDerWaalsContact C-N 3.32Å; I228-K230 PolarHBondContact O-N 3.22Å; I228-I231 PolarHBondContact O-N 3.3Å; I228-F232 HydrophobicContact CG2-CD1 4.38Å; I228-F232 HydrophobicContact CG2-CD2 3.8Å; I228-F232 HydrophobicContact CG2-CE1 4.12Å; I228-F232 HydrophobicContact CG2-CE2 3.48Å; I228-F232 VanDerWaalsContact CG2-CE2 3.48Å; I228-F232 HydrophobicContact CG2-CG 4.24Å; I228-F232 HydrophobicContact CG2-CZ 3.66Å; I228-F232 WeakPolarHBondContact O-CB 3.34Å; I228-F232 WeakPolarHBondContact O-CD1 3.48Å; I228-F232 WeakPolarHBondContact O-CG 3.37Å; I228-F232 PolarHBondContact O-N 3.05Å; I228-L245 HydrophobicContact CG2-CD2 4.29Å
229T98.1Very high96.6Very high66 Ų6667.7 Ų67.741%0.40532%0.322SS..Hα-helixtrans-60.6-40.2-176.9-56.20000112.4K227 F232 N233 L245K227-T229 PolarHBondContact O-N 3.42Å; T229-F232 PolarHBondContact O-N 3.31Å; T229-N233 WeakPolarHBondContact O-CB 3.38Å; T229-N233 PolarHBondContact O-N 2.77Å; T229-N233 PolarHBondContact O-ND2 3.24Å; T229-L245 HydrophobicContact CG2-CD1 4.3Å
230K98.2Very high96.7Very high116 Ų11666.2 Ų66.250%0.50432%0.316SS..Hα-helixtrans-60.2-54.3177.4178.2179.6171.3176.20111K227 I228 F232 N233 E234K227-K230 PolarHBondContact O-N 3.06Å; I228-K230 VanDerWaalsContact C-N 3.32Å; I228-K230 PolarHBondContact O-N 3.22Å; K230-F232 VanDerWaalsContact C-N 3.29Å; K230-F232 PolarHBondContact O-N 3.44Å; K230-N233 PolarHBondContact O-N 3.4Å; K230-E234 WeakPolarHBondContact CE-OE1 3.39Å; K230-E234 WeakPolarHBondContact CG-OE1 3.43Å; K230-E234 IonicContact NZ-OE1 2.81Å; K230-E234 WeakPolarHBondContact O-CG 3.5Å; K230-E234 PolarHBondContact O-N 3.21Å
231I98.2Very high96.9Very high37 Ų3765.7 Ų65.719%0.1931%0.313CS..Hα-helixtrans-64.2-36.3-178.3-61.3-57.8000111.3L223 K227 I228 E234 M235L223-I231 HydrophobicContact CD1-CB 3.95Å; L223-I231 HydrophobicContact CD1-CG1 4.19Å; L223-I231 HydrophobicContact CD1-CG2 3.92Å; L223-I231 HydrophobicContact CD2-CG1 4.01Å; K227-I231 WeakPolarHBondContact O-CG1 3.4Å; K227-I231 PolarHBondContact O-N 3.2Å; I228-I231 PolarHBondContact O-N 3.3Å; I231-E234 WeakPolarHBondContact CD1-OE2 3.32Å; I231-E234 PolarHBondContact O-N 3.34Å; I231-M235 HydrophobicContact CG2-SD 3.93Å; I231-M235 WeakPolarHBondContact O-CG 3.43Å; I231-M235 PolarHBondContact O-N 3.11Å
232F98.6Very high97.1Very high0 Ų068.1 Ų68.10%033%0.325CS..Hα-helixtrans-65-43176.7-74.75.2000111.9I158 I195 L223 I228 T229 K230 E234 M235 F236 V241 L244 L245 I248I158-F232 HydrophobicContact CD1-CD1 4.46Å; I158-F232 HydrophobicContact CD1-CE1 3.71Å; I158-F232 HydrophobicContact CD1-CZ 3.78Å; I158-F232 HydrophobicContact CG1-CE1 4.49Å; I158-F232 HydrophobicContact CG2-CZ 4.19Å; I195-F232 HydrophobicContact CD1-CZ 4.4Å; I195-F232 HydrophobicContact CG2-CZ 4.35Å; L223-F232 HydrophobicContact CD1-CE1 4.48Å; I228-F232 HydrophobicContact CG2-CD1 4.38Å; I228-F232 HydrophobicContact CG2-CD2 3.8Å; I228-F232 HydrophobicContact CG2-CE1 4.12Å; I228-F232 HydrophobicContact CG2-CE2 3.48Å; I228-F232 VanDerWaalsContact CG2-CE2 3.48Å; I228-F232 HydrophobicContact CG2-CG 4.24Å; I228-F232 HydrophobicContact CG2-CZ 3.66Å; I228-F232 WeakPolarHBondContact O-CB 3.34Å; I228-F232 WeakPolarHBondContact O-CD1 3.48Å; I228-F232 WeakPolarHBondContact O-CG 3.37Å; I228-F232 PolarHBondContact O-N 3.05Å; T229-F232 PolarHBondContact O-N 3.31Å; K230-F232 VanDerWaalsContact C-N 3.29Å; K230-F232 PolarHBondContact O-N 3.44Å; F232-E234 VanDerWaalsContact C-N 3.28Å; F232-E234 PolarHBondContact O-N 2.96Å; F232-M235 PolarHBondContact O-N 3.32Å; F232-M235 VanDerWaalsContact O-N 3.15Å; F232-F236 HydrophobicContact CB-CD2 4.17Å; F232-F236 HydrophobicContact CD1-CD2 4.33Å; F232-F236 HydrophobicContact CD1-CE2 4.03Å; F232-F236 HydrophobicContact CG-CD2 4.34Å; F232-F236 HydrophobicContact CG-CE2 4.47Å; F232-F236 WeakPolarHBondContact O-CD2 3.42Å; F232-F236 PolarHBondContact O-N 3.18Å; F232-V241 HydrophobicContact CB-CG1 4.2Å; F232-V241 HydrophobicContact CB-CG2 4.06Å; F232-V241 WeakPolarHBondContact O-CG2 3.17Å; F232-L244 HydrophobicContact CD2-CB 4.04Å; F232-L244 HydrophobicContact CD2-CD1 3.95Å; F232-L244 HydrophobicContact CE2-CB 3.82Å; F232-L244 HydrophobicContact CE2-CD1 3.97Å; F232-L244 HydrophobicContact CE2-CG 4.39Å; F232-L244 HydrophobicContact CG-CD1 4.35Å; F232-L244 HydrophobicContact CZ-CD1 4.39Å; F232-L245 HydrophobicContact CD2-CD2 4.19Å; F232-L245 HydrophobicContact CE2-CD2 4.46Å; F232-I248 HydrophobicContact CE2-CD1 3.65Å; F232-I248 HydrophobicContact CZ-CD1 4.11Å
233N98.5Very high97.3Very high77 Ų7767.3 Ų67.341%0.41232%0.32SS..Hα-helixtrans-61.5-35.3176.2-76.6-33.1000113R110 T229 K230R110-N233 PolarHBondContact NH2-O 2.9Å; T229-N233 WeakPolarHBondContact O-CB 3.38Å; T229-N233 PolarHBondContact O-N 2.77Å; T229-N233 PolarHBondContact O-ND2 3.24Å; K230-N233 PolarHBondContact O-N 3.4Å
234E98.1Very high97.5Very high108 Ų10866.4 Ų66.451%0.50532%0.315SS..Hα-helixtrans-66.7-35.8175.4-69.8167.1-172.300112.1K230 I231 F232K230-E234 WeakPolarHBondContact CE-OE1 3.39Å; K230-E234 WeakPolarHBondContact CG-OE1 3.43Å; K230-E234 IonicContact NZ-OE1 2.81Å; K230-E234 WeakPolarHBondContact O-CG 3.5Å; K230-E234 PolarHBondContact O-N 3.21Å; I231-E234 WeakPolarHBondContact CD1-OE2 3.32Å; I231-E234 PolarHBondContact O-N 3.34Å; F232-E234 VanDerWaalsContact C-N 3.28Å; F232-E234 PolarHBondContact O-N 2.96Å
235M98.2Very high97.7Very high17 Ų1762.6 Ų62.68%0.08431%0.305CS..Hα-helixtrans-98.2-29.5-170.7-68.7-174.759.700115.1R110 V156 Y190 K191 I193 I231 F232R110-M235 WeakPolarHBondContact CG-O 3.48Å; R110-M235 PolarHBondContact N-O 3.23Å; V156-M235 HydrophobicContact CG1-CE 4.03Å; V156-M235 HydrophobicContact CG2-CE 4.22Å; Y190-M235 HydrophobicContact CE1-CE 4.23Å; K191-M235 HydrophobicContact CB-CE 4.36Å; K191-M235 HydrophobicContact CD-CE 3.94Å; K191-M235 HydrophobicContact CD-SD 4.04Å; K191-M235 HydrophobicContact CG-CE 4.47Å; I193-M235 HydrophobicContact CD1-CE 3.89Å; I193-M235 HydrophobicContact CD1-SD 3.66Å; I231-M235 HydrophobicContact CG2-SD 3.93Å; I231-M235 WeakPolarHBondContact O-CG 3.43Å; I231-M235 PolarHBondContact O-N 3.11Å; F232-M235 PolarHBondContact O-N 3.32Å; F232-M235 VanDerWaalsContact O-N 3.15Å
236F98.6Very high97.8Very high0 Ų057.3 Ų57.30%028%0.284CS..SBendtrans-125.2157.4-166.4-56.3-72000112.9D109 R110 L115 V156 I158 F232 T240 V241 L244D109-F236 HydrophobicContact CB-CD1 3.9Å; D109-F236 HydrophobicContact CB-CE1 3.71Å; R110-F236 PolarHBondContact NE-O 2.81Å; R110-F236 VanDerWaalsContact NE-O 3.08Å; R110-F236 PolarHBondContact NH2-O 3.47Å; L115-F236 HydrophobicContact CB-CE1 4.41Å; L115-F236 HydrophobicContact CD1-CE1 3.82Å; L115-F236 HydrophobicContact CD1-CZ 3.85Å; L115-F236 HydrophobicContact CD2-CD1 4.05Å; L115-F236 HydrophobicContact CD2-CE1 3.71Å; L115-F236 HydrophobicContact CD2-CZ 4.24Å; L115-F236 HydrophobicContact CG-CE1 4.18Å; V156-F236 HydrophobicContact CG1-CE1 4.43Å; V156-F236 HydrophobicContact CG1-CZ 3.98Å; I158-F236 HydrophobicContact CD1-CE2 3.75Å; I158-F236 HydrophobicContact CD1-CZ 3.74Å; F232-F236 HydrophobicContact CB-CD2 4.17Å; F232-F236 HydrophobicContact CD1-CD2 4.33Å; F232-F236 HydrophobicContact CD1-CE2 4.03Å; F232-F236 HydrophobicContact CG-CD2 4.34Å; F232-F236 HydrophobicContact CG-CE2 4.47Å; F232-F236 WeakPolarHBondContact O-CD2 3.42Å; F232-F236 PolarHBondContact O-N 3.18Å; F236-T240 HydrophobicContact CB-CG2 3.75Å; F236-T240 HydrophobicContact CD1-CG2 3.78Å; F236-T240 HydrophobicContact CG-CG2 3.87Å; F236-V241 HydrophobicContact CB-CG2 3.9Å; F236-L244 HydrophobicContact CD2-CD1 3.86Å; F236-L244 HydrophobicContact CE2-CD1 4.01Å; F236-L244 HydrophobicContact CG-CD1 4.28Å
237T98.4Very high97.8Very high47 Ų4750.3 Ų50.329%0.28825%0.251SS..  trans-63158.3169.560.20000111.2D239 T240 V241T237-D239 VanDerWaalsContact C-N 3.32Å; T237-D239 PolarHBondContact O-N 3.06Å; T237-T240 PolarHBondContact O-N 3.24Å; T237-T240 VanDerWaalsContact O-N 3.11Å; T237-T240 WeakPolarHBondContact OG1-CB 3.22Å; T237-T240 PolarHBondContact OG1-OG1 2.88Å; T237-V241 WeakPolarHBondContact O-CG2 3.47Å; T237-V241 PolarHBondContact O-N 2.63Å
238I98.1Very high97.8Very high114 Ų11445.4 Ų45.459%0.58523%0.231SC*.Hα-helixtrans-55.3-48.7-178.2-63.3168.4000110.5T240 V241 E242I238-T240 VanDerWaalsContact C-N 3.29Å; I238-T240 PolarHBondContact O-N 2.97Å; I238-V241 WeakPolarHBondContact O-CB 3.3Å; I238-V241 PolarHBondContact O-N 2.7Å; I238-V241 VanDerWaalsContact O-N 3.08Å; I238-E242 HydrophobicContact CG2-CG 4.43Å; I238-E242 WeakPolarHBondContact O-CG 3.39Å; I238-E242 PolarHBondContact O-N 3.4Å
239D97.6Very high97.5Very high98 Ų9850.9 Ų50.952%0.52425%0.254SS..Hα-helixtrans-57.6-40.5178.3-62.2-3.1000112.7T237 E242 W243T237-D239 VanDerWaalsContact C-N 3.32Å; T237-D239 PolarHBondContact O-N 3.06Å; D239-E242 PolarHBondContact O-N 3.34Å; D239-W243 WeakPolarHBondContact O-CB 3.36Å; D239-W243 PolarHBondContact O-N 2.81Å
240T98.5Very high97.2Very high1 Ų149.6 Ų49.61%0.00624%0.244CC..Hα-helixtrans-69.1-39.3177.3-610000111.6L115 F236 T237 I238 W243 L244 T280L115-T240 HydrophobicContact CD2-CG2 3.68Å; F236-T240 HydrophobicContact CB-CG2 3.75Å; F236-T240 HydrophobicContact CD1-CG2 3.78Å; F236-T240 HydrophobicContact CG-CG2 3.87Å; T237-T240 PolarHBondContact O-N 3.24Å; T237-T240 VanDerWaalsContact O-N 3.11Å; T237-T240 WeakPolarHBondContact OG1-CB 3.22Å; T237-T240 PolarHBondContact OG1-OG1 2.88Å; I238-T240 VanDerWaalsContact C-N 3.29Å; I238-T240 PolarHBondContact O-N 2.97Å; T240-W243 PolarHBondContact O-N 3.02Å; T240-L244 HydrophobicContact CG2-CD1 4.03Å; T240-L244 HydrophobicContact CG2-CG 4.42Å; T240-L244 WeakPolarHBondContact O-CB 3.3Å; T240-L244 VanDerWaalsContact O-CG 3.27Å; T240-L244 WeakPolarHBondContact O-CG 3.48Å; T240-L244 PolarHBondContact O-N 3.37Å; T240-T280 HydrophobicContact CG2-CG2 4.12Å
241V98.7Very high96.9Very high7 Ų744 Ų444%0.04222%0.22CC..Hα-helixtrans-63.1-46.4174.8177.50000110.7F232 F236 T237 I238 W243 L244 L245F232-V241 HydrophobicContact CB-CG1 4.2Å; F232-V241 HydrophobicContact CB-CG2 4.06Å; F232-V241 WeakPolarHBondContact O-CG2 3.17Å; F236-V241 HydrophobicContact CB-CG2 3.9Å; T237-V241 WeakPolarHBondContact O-CG2 3.47Å; T237-V241 PolarHBondContact O-N 2.63Å; I238-V241 WeakPolarHBondContact O-CB 3.3Å; I238-V241 PolarHBondContact O-N 2.7Å; I238-V241 VanDerWaalsContact O-N 3.08Å; V241-W243 PolarHBondContact O-N 3.35Å; V241-L244 PolarHBondContact O-N 3.16Å; V241-L245 HydrophobicContact CG1-CD1 3.8Å; V241-L245 HydrophobicContact CG1-CG 4.16Å; V241-L245 WeakPolarHBondContact O-CB 3.27Å; V241-L245 VanDerWaalsContact O-CG 3.28Å; V241-L245 WeakPolarHBondContact O-CG 3.45Å; V241-L245 PolarHBondContact O-N 3.3Å
242E97.8Very high96.2Very high127 Ų12747.3 Ų47.359%0.59323%0.233SC*.Hα-helixtrans-59.5-46.6177.4-71.7-172.1171.100111.5I238 D239 L244 L245 N246I238-E242 HydrophobicContact CG2-CG 4.43Å; I238-E242 WeakPolarHBondContact O-CG 3.39Å; I238-E242 PolarHBondContact O-N 3.4Å; D239-E242 PolarHBondContact O-N 3.34Å; E242-L244 PolarHBondContact O-N 2.79Å; E242-L245 PolarHBondContact O-N 3.23Å; E242-N246 WeakPolarHBondContact O-CB 3.36Å; E242-N246 PolarHBondContact O-N 2.89Å
243W97.8Very high94.7Very high17 Ų1753.7 Ų53.76%0.06426%0.261CS..Hα-helixtrans-57.7-50.2175.6-173.892.9000111.8V106 Y117 D239 T240 V241 L245 N246 E247 H275 D276 G279 T280V106-W243 HydrophobicContact CB-CE3 4.46Å; V106-W243 HydrophobicContact CB-CH2 3.74Å; V106-W243 HydrophobicContact CB-CZ2 4.16Å; V106-W243 HydrophobicContact CB-CZ3 3.88Å; V106-W243 HydrophobicContact CG1-CH2 3.51Å; V106-W243 HydrophobicContact CG1-CZ2 4.03Å; V106-W243 HydrophobicContact CG1-CZ3 4.07Å; V106-W243 HydrophobicContact CG2-CE3 4.31Å; V106-W243 HydrophobicContact CG2-CH2 4.07Å; V106-W243 HydrophobicContact CG2-CZ3 3.73Å; Y117-W243 HydrophobicContact CD1-CH2 4.24Å; Y117-W243 HydrophobicContact CD1-CZ3 4.46Å; Y117-W243 HydrophobicContact CG-CH2 4.41Å; Y117-W243 HydrophobicContact CG-CZ3 4.23Å; D239-W243 WeakPolarHBondContact O-CB 3.36Å; D239-W243 PolarHBondContact O-N 2.81Å; T240-W243 PolarHBondContact O-N 3.02Å; V241-W243 PolarHBondContact O-N 3.35Å; W243-L245 PolarHBondContact O-N 2.83Å; W243-N246 PolarHBondContact O-N 3.33Å; W243-E247 HydrophobicContact CE3-CB 4.31Å; W243-E247 HydrophobicContact CH2-CB 4.07Å; W243-E247 HydrophobicContact CH2-CG 3.74Å; W243-E247 HydrophobicContact CZ2-CB 4.46Å; W243-E247 HydrophobicContact CZ2-CG 4.33Å; W243-E247 HydrophobicContact CZ3-CB 4.01Å; W243-E247 HydrophobicContact CZ3-CG 4.01Å; W243-E247 VanDerWaalsContact O-CB 3.32Å; W243-E247 WeakPolarHBondContact O-CB 3.36Å; W243-E247 PolarHBondContact O-N 3.4Å; W243-H275 AromaticContact CD1-CE1 3.61Å; W243-H275 AromaticContact CE2-CE1 3.76Å; W243-H275 AromaticContact CG-CE1 4Å; W243-H275 AromaticContact NE1-CE1 3.46Å; W243-H275 PolarHBondContact NE1-CE1 2.87Å; W243-H275 AromaticContact NE1-NE2 3.93Å; W243-D276 PolarHBondContact NE1-O 3.07Å; W243-G279 PolarHBondContact NE1-O 2.97Å; W243-T280 HydrophobicContact CB-CG2 3.94Å; W243-T280 HydrophobicContact CD2-CG2 4.29Å; W243-T280 HydrophobicContact CG-CG2 3.94Å
244L98.5Very high93.4Very high0 Ų056.1 Ų56.10%027%0.274CS..Hα-helixtrans-60.4-48.1-179.6-78.1168.6000111.8L115 Y117 I158 F232 F236 T240 V241 E242 N246 E247 I248L115-L244 HydrophobicContact CD2-CD1 4.1Å; L115-L244 HydrophobicContact CD2-CD2 4.26Å; L115-L244 HydrophobicContact CD2-CG 4.41Å; Y117-L244 HydrophobicContact CD2-CD2 3.88Å; Y117-L244 HydrophobicContact CE2-CD2 4.34Å; I158-L244 HydrophobicContact CD1-CD1 3.66Å; I158-L244 HydrophobicContact CD1-CD2 3.77Å; I158-L244 HydrophobicContact CD1-CG 4.39Å; F232-L244 HydrophobicContact CD2-CB 4.04Å; F232-L244 HydrophobicContact CD2-CD1 3.95Å; F232-L244 HydrophobicContact CE2-CB 3.82Å; F232-L244 HydrophobicContact CE2-CD1 3.97Å; F232-L244 HydrophobicContact CE2-CG 4.39Å; F232-L244 HydrophobicContact CG-CD1 4.35Å; F232-L244 HydrophobicContact CZ-CD1 4.39Å; F236-L244 HydrophobicContact CD2-CD1 3.86Å; F236-L244 HydrophobicContact CE2-CD1 4.01Å; F236-L244 HydrophobicContact CG-CD1 4.28Å; T240-L244 HydrophobicContact CG2-CD1 4.03Å; T240-L244 HydrophobicContact CG2-CG 4.42Å; T240-L244 WeakPolarHBondContact O-CB 3.3Å; T240-L244 VanDerWaalsContact O-CG 3.27Å; T240-L244 WeakPolarHBondContact O-CG 3.48Å; T240-L244 PolarHBondContact O-N 3.37Å; V241-L244 PolarHBondContact O-N 3.16Å; E242-L244 PolarHBondContact O-N 2.79Å; L244-N246 VanDerWaalsContact C-N 3.31Å; L244-N246 PolarHBondContact O-N 3.26Å; L244-E247 PolarHBondContact O-N 3.12Å; L244-I248 WeakPolarHBondContact O-CB 3.34Å; L244-I248 VanDerWaalsContact O-CD1 3.23Å; L244-I248 WeakPolarHBondContact O-CD1 3.46Å; L244-I248 WeakPolarHBondContact O-CG1 3.22Å; L244-I248 PolarHBondContact O-N 3.37Å
245L97.4Very high92.5Very high61 Ų6152.7 Ų52.732%0.31926%0.258SS..Hα-helixtrans-65.6-36-178.9-67.5179.3000111.8I228 T229 F232 V241 E242 W243 K249I228-L245 HydrophobicContact CG2-CD2 4.29Å; T229-L245 HydrophobicContact CG2-CD1 4.3Å; F232-L245 HydrophobicContact CD2-CD2 4.19Å; F232-L245 HydrophobicContact CE2-CD2 4.46Å; V241-L245 HydrophobicContact CG1-CD1 3.8Å; V241-L245 HydrophobicContact CG1-CG 4.16Å; V241-L245 WeakPolarHBondContact O-CB 3.27Å; V241-L245 VanDerWaalsContact O-CG 3.28Å; V241-L245 WeakPolarHBondContact O-CG 3.45Å; V241-L245 PolarHBondContact O-N 3.3Å; E242-L245 PolarHBondContact O-N 3.23Å; W243-L245 PolarHBondContact O-N 2.83Å; L245-K249 WeakPolarHBondContact O-CB 3.36Å; L245-K249 PolarHBondContact O-N 3.27Å; L245-K249 VanDerWaalsContact O-N 3.09Å
246N95Very high91.7Very high39 Ų3954.5 Ų54.521%0.20927%0.271CS..Hα-helixtrans-69.4-45.6175.8-163.328.2000111.7E242 W243 L244 I248 K249 L250 H275E242-N246 WeakPolarHBondContact O-CB 3.36Å; E242-N246 PolarHBondContact O-N 2.89Å; W243-N246 PolarHBondContact O-N 3.33Å; L244-N246 VanDerWaalsContact C-N 3.31Å; L244-N246 PolarHBondContact O-N 3.26Å; N246-I248 PolarHBondContact O-N 3.29Å; N246-K249 WeakPolarHBondContact O-CB 3.35Å; N246-K249 PolarHBondContact O-N 2.88Å; N246-K249 VanDerWaalsContact O-N 3.16Å; N246-L250 VanDerWaalsContact O-CG 3.29Å; N246-L250 WeakPolarHBondContact O-CG 3.4Å; N246-L250 PolarHBondContact O-N 3.01Å; N246-H275 WeakPolarHBondContact ND2-CB 3.45Å; N246-H275 VanDerWaalsContact ND2-CG 3.33Å; N246-H275 PolarHBondContact ND2-ND1 3.48Å
247E95.7Very high91Very high0 Ų059.1 Ų59.10%029%0.292CS..Hα-helixtrans-56.4-50.6175.5-179.468.7179.600111.2R104 Y117 Q122 W243 L244 K249 L250 N251 Q259 H275R104-E247 IonicContact CZ-OE1 3.61Å; R104-E247 IonicContact NH2-OE1 2.77Å; R104-E247 PolarHBondContact NH2-OE1 3.42Å; Y117-E247 HydrophobicContact CD1-CG 4.18Å; Y117-E247 HydrophobicContact CE1-CG 3.45Å; Y117-E247 VanDerWaalsContact CE1-CG 3.45Å; Y117-E247 HydrophobicContact CE2-CG 4.38Å; Q122-E247 PolarHBondContact NE2-OE1 3.22Å; W243-E247 HydrophobicContact CE3-CB 4.31Å; W243-E247 HydrophobicContact CH2-CB 4.07Å; W243-E247 HydrophobicContact CH2-CG 3.74Å; W243-E247 HydrophobicContact CZ2-CB 4.46Å; W243-E247 HydrophobicContact CZ2-CG 4.33Å; W243-E247 HydrophobicContact CZ3-CB 4.01Å; W243-E247 HydrophobicContact CZ3-CG 4.01Å; W243-E247 VanDerWaalsContact O-CB 3.32Å; W243-E247 WeakPolarHBondContact O-CB 3.36Å; W243-E247 PolarHBondContact O-N 3.4Å; L244-E247 PolarHBondContact O-N 3.12Å; E247-K249 VanDerWaalsContact C-N 3.27Å; E247-K249 PolarHBondContact O-N 3.37Å; E247-L250 PolarHBondContact O-N 3.17Å; E247-L250 VanDerWaalsContact O-N 3.12Å; E247-N251 PolarHBondContact O-N 3.15Å; E247-N251 PolarHBondContact O-ND2 2.86Å; E247-Q259 PolarHBondContact OE1-OE1 2.99Å; E247-Q259 PolarHBondContact OE2-NE2 3.15Å; E247-Q259 PolarHBondContact OE2-OE1 3.47Å; E247-Q259 VanDerWaalsContact OE2-OE1 3.13Å; E247-H275 IonicContact OE2-CD2 3.24Å; E247-H275 PolarHBondContact OE2-CD2 2.95Å; E247-H275 IonicContact OE2-CE1 3.35Å; E247-H275 IonicContact OE2-NE2 2.79Å; E247-H275 PolarHBondContact OE2-NE2 3.45Å
248I95.2Very high90.4Very high13 Ų1358.3 Ų58.37%0.06729%0.286CS..Hα-helixtrans-59.7-37.8177.7-68.2159.9000111.9Y117 I195 N196 F232 L244 N246Y117-I248 HydrophobicContact CE2-CG1 4.36Å; I195-I248 HydrophobicContact CD1-CD1 3.24Å; I195-I248 HydrophobicContact CD1-CG1 3.57Å; I195-I248 HydrophobicContact CD1-CG2 4.43Å; N196-I248 WeakPolarHBondContact ND2-CG2 3.37Å; F232-I248 HydrophobicContact CE2-CD1 3.65Å; F232-I248 HydrophobicContact CZ-CD1 4.11Å; L244-I248 WeakPolarHBondContact O-CB 3.34Å; L244-I248 VanDerWaalsContact O-CD1 3.23Å; L244-I248 WeakPolarHBondContact O-CD1 3.46Å; L244-I248 WeakPolarHBondContact O-CG1 3.22Å; L244-I248 PolarHBondContact O-N 3.37Å; N246-I248 PolarHBondContact O-N 3.29Å
249K93.1Very high89.8Confident124 Ų12453 Ų5354%0.53926%0.259SS..Hα-helixtrans-67.2-40.8177.8-179.6-175.9177.4-1760111.3L245 N246 E247 N251L245-K249 WeakPolarHBondContact O-CB 3.36Å; L245-K249 PolarHBondContact O-N 3.27Å; L245-K249 VanDerWaalsContact O-N 3.09Å; N246-K249 WeakPolarHBondContact O-CB 3.35Å; N246-K249 PolarHBondContact O-N 2.88Å; N246-K249 VanDerWaalsContact O-N 3.16Å; E247-K249 VanDerWaalsContact C-N 3.27Å; E247-K249 PolarHBondContact O-N 3.37Å; K249-N251 VanDerWaalsContact C-N 3.35Å
250L91.1Very high89.3Confident38 Ų3849.9 Ų49.920%0.19924%0.242CC..Hα-helixtrans-74.1-23.5-178.5-69.5169.7000113.3N246 E247 K252 Q259 H275N246-L250 VanDerWaalsContact O-CG 3.29Å; N246-L250 WeakPolarHBondContact O-CG 3.4Å; N246-L250 PolarHBondContact O-N 3.01Å; E247-L250 PolarHBondContact O-N 3.17Å; E247-L250 VanDerWaalsContact O-N 3.12Å; L250-K252 PolarHBondContact O-N 2.76Å; L250-Q259 HydrophobicContact CB-CG 3.92Å; L250-Q259 VanDerWaalsContact CD1-NE2 3.28Å; L250-H275 HydrophobicContact CD1-CB 3.89Å
251N91.1Very high89Confident0 Ų051.3 Ų51.30%025%0.248CC..THydrogen-bonded Turntrans-76.2-1.5177.7-75.9-22.8000115.1Y117 C119 Q122 T162 E247 K249Y117-N251 PolarHBondContact OH-ND2 2.87Å; C119-N251 WeakPolarHBondContact CB-ND2 3.21Å; Q122-N251 PolarHBondContact NE2-OD1 3.11Å; T162-N251 VanDerWaalsContact CG2-O 3.29Å; T162-N251 WeakPolarHBondContact CG2-O 3.42Å; E247-N251 PolarHBondContact O-N 3.15Å; E247-N251 PolarHBondContact O-ND2 2.86Å; K249-N251 VanDerWaalsContact C-N 3.35Å
252K84.6Confident88.7Confident105 Ų10551 Ų5146%0.45725%0.246SC..SBendtrans-76.2164.4177-66.4178.3-178.1173.50111.7L250 N254L250-K252 PolarHBondContact O-N 2.76Å; K252-N254 CarbonylContact O-C 3.54Å; K252-N254 PolarHBondContact O-N 3.29Å
253K66.8Low88.6Confident135 Ų13545 Ų4559%0.58722%0.218SC*.SBendtrans-20.3-15.7-169.1-67.9-174.2178.3-179.50122.5Y360K253-Y360 HydrophobicContact CG-CE1 4.21Å
254N71.4Confident88.4Confident127 Ų12745.6 Ų45.668%0.67922%0.222SC*.SBendtrans-123.367.4172.7-63.7-27.7000109.4K252 T256K252-N254 CarbonylContact O-C 3.54Å; K252-N254 PolarHBondContact O-N 3.29Å; N254-T256 PolarHBondContact O-N 2.99Å
255I79.1Confident88Confident36 Ų3647.9 Ų47.919%0.18524%0.237CC..  trans-61.3125-178.9-164.9169.6000109.7A121 Q122 Q259 L260A121-I255 HydrophobicContact CB-CD1 4.31Å; A121-I255 WeakPolarHBondContact O-CD1 3.45Å; Q122-I255 HydrophobicContact CG-CD1 3.68Å; I255-Q259 HydrophobicContact CD1-CB 3.91Å; I255-Q259 HydrophobicContact CG1-CB 3.39Å; I255-Q259 HydrophobicContact CG1-CG 4.37Å; I255-L260 HydrophobicContact CD1-CD2 3.91Å; I255-L260 HydrophobicContact CD1-CG 4.14Å; I255-L260 HydrophobicContact CG1-CD2 4.38Å; I255-L260 HydrophobicContact CG1-CG 4.13Å; I255-L260 HydrophobicContact CG2-CD1 4.02Å; I255-L260 HydrophobicContact CG2-CD2 3.92Å; I255-L260 HydrophobicContact CG2-CG 3.92Å
256T81.4Confident87.4Confident55 Ų5546.4 Ų46.434%0.33723%0.231SC..  trans-78.7162.6-177.564.30000111.3N254 N258 Q259 L260N254-T256 PolarHBondContact O-N 2.99Å; T256-N258 PolarHBondContact O-N 3.04Å; T256-Q259 PolarHBondContact O-N 2.84Å; T256-Q259 PolarHBondContact OG1-N 3.41Å; T256-L260 PolarHBondContact O-N 3.38Å
257E83.3Confident86.8Confident97 Ų9749.2 Ų49.245%0.45324%0.241SC..Hα-helixtrans-57.2-38172.5-170.6-177.6175.400111.7Q259 L260 K261E257-Q259 PolarHBondContact O-N 3.4Å; E257-L260 PolarHBondContact O-N 3.16Å; E257-K261 HydrophobicContact CG-CD 3.87Å; E257-K261 HydrophobicContact CG-CG 4.14Å; E257-K261 WeakPolarHBondContact O-CB 3.42Å; E257-K261 WeakPolarHBondContact O-CG 3.32Å; E257-K261 PolarHBondContact O-N 2.97Å; E257-K261 WeakPolarHBondContact OE1-CE 3.48Å; E257-K261 IonicContact OE1-NZ 3.13Å; E257-K261 PolarHBondContact OE1-NZ 3.3Å
258N85Confident85.9Confident31 Ų3154.8 Ų54.817%0.16627%0.27CS..Hα-helixtrans-56.2-40.3174-68.6-2.1000111.8T256 K261 F262 K267 P277T256-N258 PolarHBondContact O-N 3.04Å; N258-K261 CarbonylContact O-C 3.48Å; N258-F262 PolarHBondContact O-N 3.42Å; N258-K267 PolarHBondContact ND2-O 3.47Å; N258-P277 WeakPolarHBondContact O-CG 3.4Å
259Q87.2Confident84.7Confident2 Ų255.5 Ų55.51%0.00927%0.274CS..Hα-helixtrans-76.5-34.4-179-73.2-60.8-4.700113Q122 E247 L250 I255 T256 E257Q122-Q259 PolarHBondContact NE2-O 3.32Å; E247-Q259 PolarHBondContact OE1-OE1 2.99Å; E247-Q259 PolarHBondContact OE2-NE2 3.15Å; E247-Q259 PolarHBondContact OE2-OE1 3.47Å; E247-Q259 VanDerWaalsContact OE2-OE1 3.13Å; L250-Q259 HydrophobicContact CB-CG 3.92Å; L250-Q259 VanDerWaalsContact CD1-NE2 3.28Å; I255-Q259 HydrophobicContact CD1-CB 3.91Å; I255-Q259 HydrophobicContact CG1-CB 3.39Å; I255-Q259 HydrophobicContact CG1-CG 4.37Å; T256-Q259 PolarHBondContact O-N 2.84Å; T256-Q259 PolarHBondContact OG1-N 3.41Å; E257-Q259 PolarHBondContact O-N 3.4Å
260L87.1Confident83.4Confident32 Ų3258 Ų5817%0.16829%0.293CS..Hα-helixtrans-71.5-33.5174-70166000112.2I255 T256 E257 W263 I356I255-L260 HydrophobicContact CD1-CD2 3.91Å; I255-L260 HydrophobicContact CD1-CG 4.14Å; I255-L260 HydrophobicContact CG1-CD2 4.38Å; I255-L260 HydrophobicContact CG1-CG 4.13Å; I255-L260 HydrophobicContact CG2-CD1 4.02Å; I255-L260 HydrophobicContact CG2-CD2 3.92Å; I255-L260 HydrophobicContact CG2-CG 3.92Å; T256-L260 PolarHBondContact O-N 3.38Å; E257-L260 PolarHBondContact O-N 3.16Å; L260-W263 VanDerWaalsContact O-CH2 3.3Å; L260-W263 WeakPolarHBondContact O-CH2 3.29Å; L260-W263 VanDerWaalsContact O-CZ3 3.22Å; L260-W263 WeakPolarHBondContact O-CZ3 3.25Å; L260-I356 HydrophobicContact CD1-CD1 4.25Å; L260-I356 HydrophobicContact CD1-CG2 3.54Å
261K91.1Very high82.3Confident32 Ų3263.2 Ų63.214%0.13932%0.315CS..THydrogen-bonded Turntrans-103.854.2177.9-57.1-170-178.6179.20110.7E257 N258 W263 E264 I354E257-K261 HydrophobicContact CG-CD 3.87Å; E257-K261 HydrophobicContact CG-CG 4.14Å; E257-K261 WeakPolarHBondContact O-CB 3.42Å; E257-K261 WeakPolarHBondContact O-CG 3.32Å; E257-K261 PolarHBondContact O-N 2.97Å; E257-K261 WeakPolarHBondContact OE1-CE 3.48Å; E257-K261 IonicContact OE1-NZ 3.13Å; E257-K261 PolarHBondContact OE1-NZ 3.3Å; N258-K261 CarbonylContact O-C 3.48Å; K261-W263 HydrophobicContact CB-CZ2 4.09Å; K261-W263 HydrophobicContact CG-CH2 4.49Å; K261-W263 HydrophobicContact CG-CZ2 4.05Å; K261-W263 PolarHBondContact O-N 3.27Å; K261-E264 HydrophobicContact CB-CG 4.1Å; K261-E264 HydrophobicContact CD-CG 4.46Å; K261-E264 VanDerWaalsContact CD-OE1 3.26Å; K261-E264 WeakPolarHBondContact CD-OE1 3.4Å; K261-E264 IonicContact NZ-OE1 3.72Å; K261-E264 PolarHBondContact O-N 3.33Å; K261-I354 HydrophobicContact CD-CD1 3.82Å; K261-I354 HydrophobicContact CG-CD1 4.13Å
262F93.2Very high81.2Confident0 Ų069.4 Ų69.40%035%0.347CS..THydrogen-bonded Turntrans-57.3-13-175.568.1-102.7000114.3R104 N258 P277 R278 H340R104-F262 HydrophobicContact CB-CE2 4.47Å; N258-F262 PolarHBondContact O-N 3.42Å; F262-P277 HydrophobicContact CB-CB 3.86Å; F262-P277 HydrophobicContact CB-CG 4.23Å; F262-P277 CarbonylContact O-C 3.57Å; F262-R278 WeakPolarHBondContact O-CG 2.83Å; F262-R278 PolarHBondContact O-N 3.49Å; F262-H340 HydrophobicContact CE2-CB 4.16Å; F262-H340 AromaticContact CE2-CG 3.78Å; F262-H340 AromaticContact CE2-ND1 3.64Å; F262-H340 AromaticContact CZ-CE1 3.56Å; F262-H340 AromaticContact CZ-CG 3.9Å; F262-H340 AromaticContact CZ-ND1 3.54Å; F262-H340 AromaticContact CZ-NE2 3.9Å
263W94.7Very high80.5Confident1 Ų168.7 Ų68.70%0.00435%0.346CS..THydrogen-bonded Turntrans-87-13.1178.954.784.1000114.5P98 G99 L260 K261 R278 N342 I343 I354P98-W263 HydrophobicContact CB-CH2 3.97Å; P98-W263 HydrophobicContact CB-CZ2 3.77Å; G99-W263 VanDerWaalsContact CA-CZ3 3.48Å; L260-W263 VanDerWaalsContact O-CH2 3.3Å; L260-W263 WeakPolarHBondContact O-CH2 3.29Å; L260-W263 VanDerWaalsContact O-CZ3 3.22Å; L260-W263 WeakPolarHBondContact O-CZ3 3.25Å; K261-W263 HydrophobicContact CB-CZ2 4.09Å; K261-W263 HydrophobicContact CG-CH2 4.49Å; K261-W263 HydrophobicContact CG-CZ2 4.05Å; K261-W263 PolarHBondContact O-N 3.27Å; W263-R278 WeakPolarHBondContact O-CD 3.45Å; W263-N342 HydrophobicContact CB-CB 3.87Å; W263-N342 HydrophobicContact CD2-CB 3.66Å; W263-N342 HydrophobicContact CE3-CB 3.74Å; W263-N342 HydrophobicContact CG-CB 3.73Å; W263-I343 HydrophobicContact CB-CB 4.37Å; W263-I343 HydrophobicContact CB-CG1 3.66Å; W263-I354 HydrophobicContact CZ2-CD1 3.54Å; W263-I354 HydrophobicContact CZ2-CG1 3.86Å
264E93.7Very high81.4Confident29 Ų2967.8 Ų67.814%0.13635%0.347CS..SBendtrans-82.4150.4175.2-63.5-170.2-177.400110.6K261 K267 Y346K261-E264 HydrophobicContact CB-CG 4.1Å; K261-E264 HydrophobicContact CD-CG 4.46Å; K261-E264 VanDerWaalsContact CD-OE1 3.26Å; K261-E264 WeakPolarHBondContact CD-OE1 3.4Å; K261-E264 IonicContact NZ-OE1 3.72Å; K261-E264 PolarHBondContact O-N 3.33Å; E264-K267 WeakPolarHBondContact OE2-CE 3.38Å; E264-K267 IonicContact OE2-NZ 2.66Å; E264-K267 PolarHBondContact OE2-NZ 2.9Å; E264-Y346 HydrophobicContact CB-CE2 4.36Å; E264-Y346 HydrophobicContact CG-CD2 3.95Å; E264-Y346 HydrophobicContact CG-CE2 3.68Å
265P91.4Very high82.4Confident49 Ų4962.4 Ų62.432%0.31832%0.318SS..PPolyproline II helixtrans-54.4150.1164.3-19.528.8000111.7K267 Y346P265-K267 PolarHBondContact O-N 3.09Å; P265-Y346 WeakPolarHBondContact CD-OH 3.28Å; P265-Y346 HydrophobicContact CG-CE1 4.05Å
266P84.5Confident83.1Confident30 Ų3061.6 Ų61.620%0.19531%0.314CS..PPolyproline II helixtrans-65.8132.1-176.228-35.5000111.3L274 H275 D276P266-L274 HydrophobicContact CB-CD1 3.63Å; P266-L274 HydrophobicContact CB-CG 3.92Å; P266-L274 HydrophobicContact CG-CD1 3.73Å; P266-L274 HydrophobicContact CG-CD2 4.18Å; P266-L274 HydrophobicContact CG-CG 3.75Å; P266-H275 VanDerWaalsContact CB-O 3.31Å; P266-H275 WeakPolarHBondContact CB-O 3.46Å; P266-D276 HydrophobicContact CB-CB 4.49Å; P266-D276 WeakPolarHBondContact CD-OD2 3.46Å; P266-D276 HydrophobicContact CG-CB 4.01Å
267K82.8Confident83.8Confident98 Ų9859.1 Ų59.143%0.42630%0.298SS..PPolyproline II helixtrans-93.7146.4163.8-61.7170-169.4156.20108.4N258 E264 P265 N269N258-K267 PolarHBondContact ND2-O 3.47Å; E264-K267 WeakPolarHBondContact OE2-CE 3.38Å; E264-K267 IonicContact OE2-NZ 2.66Å; E264-K267 PolarHBondContact OE2-NZ 2.9Å; P265-K267 PolarHBondContact O-N 3.09Å; K267-N269 PolarHBondContact O-N 3.15Å
268L76.9Confident84.4Confident117 Ų11755.3 Ų55.361%0.61328%0.28SS*.PPolyproline II helixtrans-53.4127.4173.2-74.4168.6000109.7L274L268-L274 HydrophobicContact CD2-CD1 4.48Å
269N68.2Low85Confident27 Ų2753.8 Ų53.814%0.14427%0.272CS..PPolyproline II helixtrans-81.8173.7175.371.521.1000111.1K267 K271 N272 Q273K267-N269 PolarHBondContact O-N 3.15Å; N269-K271 PolarHBondContact O-N 2.81Å; N269-K271 WeakPolarHBondContact OD1-CA 3.16Å; N269-K271 WeakPolarHBondContact OD1-CB 3.32Å; N269-K271 PolarHBondContact OD1-N 3.45Å; N269-N272 PolarHBondContact O-N 3.4Å; N269-N272 PolarHBondContact OD1-N 3.2Å; N269-Q273 PolarHBondContact N-O 2.8Å; N269-Q273 PolarHBondContact ND2-O 2.97Å; N269-Q273 PolarHBondContact OD1-N 3.41Å; N269-Q273 PolarHBondContact OD1-O 3.47Å
270N65.9Low85.5Confident177 Ų17753.9 Ų53.995%0.94727%0.272SS*.THydrogen-bonded Turntrans-57.6-10.6179.1-62.8-7000114.8
271K68Low85.9Confident148 Ų14858 Ų5864%0.64330%0.295SS*.THydrogen-bonded Turntrans-107.511.8177.1-61.7-173.2176-174.10113N269 Q273N269-K271 PolarHBondContact O-N 2.81Å; N269-K271 WeakPolarHBondContact OD1-CA 3.16Å; N269-K271 WeakPolarHBondContact OD1-CB 3.32Å; N269-K271 PolarHBondContact OD1-N 3.45Å; K271-Q273 HydrophobicContact CB-CG 4.31Å; K271-Q273 PolarHBondContact O-N 2.81Å; K271-Q273 VanDerWaalsContact O-N 3.14Å
272N69.2Low86.2Confident129 Ų12960.8 Ų60.869%0.6931%0.308SS*.SBendtrans55.424.8-174.3-61.4-26.3000114N269N269-N272 PolarHBondContact O-N 3.4Å; N269-N272 PolarHBondContact OD1-N 3.2Å
273Q69.5Low86.5Confident90 Ų9060.8 Ų60.842%0.42131%0.308SS..  trans-95.6136.7174.7-65.6178-24.500109.6N269 K271N269-Q273 PolarHBondContact N-O 2.8Å; N269-Q273 PolarHBondContact ND2-O 2.97Å; N269-Q273 PolarHBondContact OD1-N 3.41Å; N269-Q273 PolarHBondContact OD1-O 3.47Å; K271-Q273 HydrophobicContact CB-CG 4.31Å; K271-Q273 PolarHBondContact O-N 2.81Å; K271-Q273 VanDerWaalsContact O-N 3.14Å
274L85Confident86.6Confident116 Ų11661.3 Ų61.361%0.60731%0.311SS*.  trans-99.7113.3174.8-160.273.1000108.6P266 L268P266-L274 HydrophobicContact CB-CD1 3.63Å; P266-L274 HydrophobicContact CB-CG 3.92Å; P266-L274 HydrophobicContact CG-CD1 3.73Å; P266-L274 HydrophobicContact CG-CD2 4.18Å; P266-L274 HydrophobicContact CG-CG 3.75Å; L268-L274 HydrophobicContact CD2-CD1 4.48Å
275H92.3Very high86.8Confident15 Ų1565.3 Ų65.37%0.06933%0.329CS..  trans-124.4120.9172.8175.873.9000107.8W243 N246 E247 L250 P266 P277W243-H275 AromaticContact CD1-CE1 3.61Å; W243-H275 AromaticContact CE2-CE1 3.76Å; W243-H275 AromaticContact CG-CE1 4Å; W243-H275 AromaticContact NE1-CE1 3.46Å; W243-H275 PolarHBondContact NE1-CE1 2.87Å; W243-H275 AromaticContact NE1-NE2 3.93Å; N246-H275 WeakPolarHBondContact ND2-CB 3.45Å; N246-H275 VanDerWaalsContact ND2-CG 3.33Å; N246-H275 PolarHBondContact ND2-ND1 3.48Å; E247-H275 IonicContact OE2-CD2 3.24Å; E247-H275 PolarHBondContact OE2-CD2 2.95Å; E247-H275 IonicContact OE2-CE1 3.35Å; E247-H275 IonicContact OE2-NE2 2.79Å; E247-H275 PolarHBondContact OE2-NE2 3.45Å; L250-H275 HydrophobicContact CD1-CB 3.89Å; P266-H275 VanDerWaalsContact CB-O 3.31Å; P266-H275 WeakPolarHBondContact CB-O 3.46Å; H275-P277 WeakPolarHBondContact O-CD 3.39Å
276D95.2Very high87.1Confident19 Ų1966.2 Ų66.210%0.10233%0.331CS..  trans-89.6103.9-179.7-163.4-25.8000110.8W243 P266 R278 G279W243-D276 PolarHBondContact NE1-O 3.07Å; P266-D276 HydrophobicContact CB-CB 4.49Å; P266-D276 WeakPolarHBondContact CD-OD2 3.46Å; P266-D276 HydrophobicContact CG-CB 4.01Å; D276-R278 PolarHBondContact O-N 3.11Å; D276-R278 VanDerWaalsContact O-N 3.14Å; D276-R278 WeakPolarHBondContact OD1-CB 3.27Å; D276-R278 WeakPolarHBondContact OD1-CG 3.41Å; D276-R278 IonicContact OD1-CZ 3.28Å; D276-R278 PolarHBondContact OD1-N 3.22Å; D276-R278 IonicContact OD1-NE 3.38Å; D276-R278 PolarHBondContact OD1-NE 3.02Å; D276-R278 IonicContact OD1-NH2 3.71Å; D276-R278 IonicContact OD2-CZ 2.76Å; D276-R278 IonicContact OD2-NE 3.66Å; D276-R278 PolarHBondContact OD2-NE 2.87Å; D276-R278 IonicContact OD2-NH2 2.63Å; D276-R278 PolarHBondContact OD2-NH2 3.01Å; D276-G279 PolarHBondContact O-N 2.87Å
277P94.7Very high87.7Confident2 Ų266.1 Ų66.11%0.01333%0.327CS..THydrogen-bonded Turntrans-70.6-8.6-177.333.3-38.5000112.9R104 N258 F262 H275 G279R104-P277 VanDerWaalsContact CZ-O 3.32Å; R104-P277 PolarHBondContact NE-O 2.79Å; R104-P277 PolarHBondContact NH2-O 3.35Å; N258-P277 WeakPolarHBondContact O-CG 3.4Å; F262-P277 HydrophobicContact CB-CB 3.86Å; F262-P277 HydrophobicContact CB-CG 4.23Å; F262-P277 CarbonylContact O-C 3.57Å; H275-P277 WeakPolarHBondContact O-CD 3.39Å; P277-G279 VanDerWaalsContact C-N 3.32Å
278R96.3Very high88.4Confident17 Ų1761.4 Ų61.46%0.06431%0.307CS..THydrogen-bonded Turntrans-72.3-26.1176.8-61.8173.4-64.1173.13.6112.3F262 W263 D276 I284 I288 I343F262-R278 WeakPolarHBondContact O-CG 2.83Å; F262-R278 PolarHBondContact O-N 3.49Å; W263-R278 WeakPolarHBondContact O-CD 3.45Å; D276-R278 PolarHBondContact O-N 3.11Å; D276-R278 VanDerWaalsContact O-N 3.14Å; D276-R278 WeakPolarHBondContact OD1-CB 3.27Å; D276-R278 WeakPolarHBondContact OD1-CG 3.41Å; D276-R278 IonicContact OD1-CZ 3.28Å; D276-R278 PolarHBondContact OD1-N 3.22Å; D276-R278 IonicContact OD1-NE 3.38Å; D276-R278 PolarHBondContact OD1-NE 3.02Å; D276-R278 IonicContact OD1-NH2 3.71Å; D276-R278 IonicContact OD2-CZ 2.76Å; D276-R278 IonicContact OD2-NE 3.66Å; D276-R278 PolarHBondContact OD2-NE 2.87Å; D276-R278 IonicContact OD2-NH2 2.63Å; D276-R278 PolarHBondContact OD2-NH2 3.01Å; R278-I284 HydrophobicContact CB-CD1 3.53Å; R278-I288 HydrophobicContact CB-CD1 3.97Å; R278-I343 HydrophobicContact CB-CD1 4.16Å; R278-I343 HydrophobicContact CG-CD1 4.22Å; R278-I343 HydrophobicContact CG-CG1 4.38Å
279G97.5Very high89.3Confident0 Ų059.2 Ų59.20%029%0.294CS..  trans154.7-179.3176.800000114.2V106 W243 D276 P277V106-G279 CarbonylContact O-C 3.49Å; V106-G279 WeakPolarHBondContact O-CA 3.43Å; W243-G279 PolarHBondContact NE1-O 2.97Å; D276-G279 PolarHBondContact O-N 2.87Å; P277-G279 VanDerWaalsContact C-N 3.32Å
280T98.1Very high90.7Very high3 Ų360.6 Ų60.62%0.01830%0.304CS..  trans-60.1152.5174.257.10000111.7V106 G107 T240 W243 E282 Y283 I284V106-T280 WeakPolarHBondContact O-CB 3.44Å; V106-T280 WeakPolarHBondContact O-CG2 3.23Å; V106-T280 PolarHBondContact O-N 2.85Å; V106-T280 PolarHBondContact O-OG1 3.48Å; G107-T280 WeakPolarHBondContact CA-OG1 3.34Å; T240-T280 HydrophobicContact CG2-CG2 4.12Å; W243-T280 HydrophobicContact CB-CG2 3.94Å; W243-T280 HydrophobicContact CD2-CG2 4.29Å; W243-T280 HydrophobicContact CG-CG2 3.94Å; T280-E282 PolarHBondContact O-N 2.93Å; T280-Y283 PolarHBondContact O-N 3.11Å; T280-Y283 WeakPolarHBondContact OG1-CB 3.42Å; T280-Y283 PolarHBondContact OG1-N 2.66Å; T280-I284 WeakPolarHBondContact O-CG1 3.31Å; T280-I284 PolarHBondContact O-N 3.41Å
281N96.6Very high92.1Very high119 Ų11952.6 Ų52.664%0.63626%0.261SS*.Hα-helixtrans-52.1-43.8179.3-68.4-21.3000112.2Y283 I284 H285N281-Y283 PolarHBondContact O-N 3.21Å; N281-I284 PolarHBondContact O-N 3.31Å; N281-H285 VanDerWaalsContact O-CB 3.25Å; N281-H285 WeakPolarHBondContact O-CB 3.36Å; N281-H285 PolarHBondContact O-N 3.39Å
282E97.5Very high93.3Very high90 Ų9047.6 Ų47.642%0.42124%0.241SC..Hα-helixtrans-56.6-50175.5-178-174.4-177.900112T280 H285 N286T280-E282 PolarHBondContact O-N 2.93Å; E282-H285 PolarHBondContact O-N 2.96Å; E282-N286 WeakPolarHBondContact CG-ND2 3.39Å; E282-N286 VanDerWaalsContact O-CB 3.29Å; E282-N286 WeakPolarHBondContact O-CB 3.42Å; E282-N286 VanDerWaalsContact O-CG 3.3Å; E282-N286 PolarHBondContact O-N 2.97Å; E282-N286 PolarHBondContact O-ND2 3.16Å
283Y98.2Very high94.6Very high1 Ų146 Ų460%0.00423%0.229CC..Hα-helixtrans-65.9-42.3-179.1176.3-105.1000112.5Q105 V106 F108 T280 N281 Y287 I288 H337Q105-Y283 HydrophobicContact CB-CE2 4.1Å; Q105-Y283 HydrophobicContact CG-CD2 4.13Å; Q105-Y283 HydrophobicContact CG-CE2 3.59Å; Q105-Y283 VanDerWaalsContact O-CE1 3.25Å; Q105-Y283 WeakPolarHBondContact O-CE1 3.47Å; V106-Y283 WeakPolarHBondContact O-CB 3.49Å; F108-Y283 HydrophobicContact CE2-CD2 4.21Å; F108-Y283 HydrophobicContact CZ-CD2 4.5Å; T280-Y283 PolarHBondContact O-N 3.11Å; T280-Y283 WeakPolarHBondContact OG1-CB 3.42Å; T280-Y283 PolarHBondContact OG1-N 2.66Å; N281-Y283 PolarHBondContact O-N 3.21Å; Y283-Y287 AromaticContact CD2-CD2 3.63Å; Y283-Y287 HydrophobicContact CD2-CD2 3.63Å; Y283-Y287 HydrophobicContact CD2-CE2 4.41Å; Y283-Y287 HydrophobicContact CD2-CG 4.11Å; Y283-Y287 HydrophobicContact CE2-CD2 4.12Å; Y283-Y287 HydrophobicContact CE2-CG 4.13Å; Y283-Y287 HydrophobicContact CG-CD2 4.45Å; Y283-Y287 WeakPolarHBondContact O-CB 3.14Å; Y283-Y287 PolarHBondContact O-N 3.42Å; Y283-I288 HydrophobicContact CD1-CD1 4.4Å; Y283-I288 HydrophobicContact CE1-CD1 3.97Å; Y283-I288 HydrophobicContact CE1-CG1 4.18Å; Y283-H337 AromaticContact CE2-NE2 3.61Å; Y283-H337 AromaticContact CZ-NE2 3.67Å; Y283-H337 PolarHBondContact OH-NE2 3.49Å
284I97.7Very high95.6Very high11 Ų1146.6 Ų46.66%0.05623%0.228CC..Iπ-helixtrans-59.4-51.2176.3-60.5-55.4000110.3R278 T280 N281 N286 I288 E289R278-I284 HydrophobicContact CB-CD1 3.53Å; T280-I284 WeakPolarHBondContact O-CG1 3.31Å; T280-I284 PolarHBondContact O-N 3.41Å; N281-I284 PolarHBondContact O-N 3.31Å; I284-N286 PolarHBondContact O-N 2.77Å; I284-I288 HydrophobicContact CD1-CD1 3.4Å; I284-I288 HydrophobicContact CD1-CG1 4.09Å; I284-I288 HydrophobicContact CG2-CB 4.45Å; I284-I288 WeakPolarHBondContact O-CA 3.29Å; I284-I288 PolarHBondContact O-N 3Å; I284-E289 HydrophobicContact CG2-CG 4.18Å; I284-E289 PolarHBondContact O-N 2.75Å
285H97.4Very high95.9Very high113 Ų11342.3 Ų42.352%0.52321%0.205SC..Iπ-helixtrans-61.2-44.4-178.1-176.260.3000112.4N281 E282 E289 P290N281-H285 VanDerWaalsContact O-CB 3.25Å; N281-H285 WeakPolarHBondContact O-CB 3.36Å; N281-H285 PolarHBondContact O-N 3.39Å; E282-H285 PolarHBondContact O-N 2.96Å; H285-E289 IonicContact CE1-OE2 3.02Å; H285-E289 IonicContact CG-OE2 3.72Å; H285-E289 IonicContact ND1-OE2 3.89Å; H285-E289 PolarHBondContact ND1-OE2 3.11Å; H285-P290 WeakPolarHBondContact O-CD 2.9Å
286N97.6Very high95.8Very high68 Ų6846.5 Ų46.536%0.36422%0.224SC..Iπ-helixtrans-85-24.4-172.5-67.9-22.9000113.8E282 I284 P290E282-N286 WeakPolarHBondContact CG-ND2 3.39Å; E282-N286 VanDerWaalsContact O-CB 3.29Å; E282-N286 WeakPolarHBondContact O-CB 3.42Å; E282-N286 VanDerWaalsContact O-CG 3.3Å; E282-N286 PolarHBondContact O-N 2.97Å; E282-N286 PolarHBondContact O-ND2 3.16Å; I284-N286 PolarHBondContact O-N 2.77Å; N286-P290 WeakPolarHBondContact O-CG 3.36Å
287Y97.3Very high95.6Very high28 Ų2850.3 Ų50.311%0.1124%0.242CC..Iπ-helixtrans-130.1-21.5-168.4-60.8-82.9000115.2F108 S147 Q149 Y283 L291 H337F108-Y287 HydrophobicContact CE2-CD2 4.21Å; F108-Y287 AromaticContact CE2-CE2 3.51Å; F108-Y287 HydrophobicContact CE2-CE2 3.51Å; F108-Y287 HydrophobicContact CZ-CD2 4.24Å; F108-Y287 AromaticContact CZ-CE2 3.42Å; F108-Y287 HydrophobicContact CZ-CE2 3.42Å; F108-Y287 VanDerWaalsContact CZ-CE2 3.42Å; F108-Y287 AromaticContact CZ-CZ 3.66Å; S147-Y287 PolarHBondContact O-OH 2.78Å; Q149-Y287 PolarHBondContact NE2-OH 3.35Å; Y283-Y287 AromaticContact CD2-CD2 3.63Å; Y283-Y287 HydrophobicContact CD2-CD2 3.63Å; Y283-Y287 HydrophobicContact CD2-CE2 4.41Å; Y283-Y287 HydrophobicContact CD2-CG 4.11Å; Y283-Y287 HydrophobicContact CE2-CD2 4.12Å; Y283-Y287 HydrophobicContact CE2-CG 4.13Å; Y283-Y287 HydrophobicContact CG-CD2 4.45Å; Y283-Y287 WeakPolarHBondContact O-CB 3.14Å; Y283-Y287 PolarHBondContact O-N 3.42Å; Y287-L291 WeakPolarHBondContact O-CD1 3.33Å; Y287-H337 HydrophobicContact CD1-CB 3.93Å; Y287-H337 AromaticContact CD1-CD2 3.73Å; Y287-H337 AromaticContact CD1-CG 3.89Å; Y287-H337 HydrophobicContact CE1-CB 4.37Å
288I97Very high95.3Very high0 Ų052.9 Ų52.90%025%0.251CS..Iπ-helixtrans-102.6-46.6177.8-53.5-162.9000111.3R278 Y283 I284 L291 I292 P339 I343 L347R278-I288 HydrophobicContact CB-CD1 3.97Å; Y283-I288 HydrophobicContact CD1-CD1 4.4Å; Y283-I288 HydrophobicContact CE1-CD1 3.97Å; Y283-I288 HydrophobicContact CE1-CG1 4.18Å; I284-I288 HydrophobicContact CD1-CD1 3.4Å; I284-I288 HydrophobicContact CD1-CG1 4.09Å; I284-I288 HydrophobicContact CG2-CB 4.45Å; I284-I288 WeakPolarHBondContact O-CA 3.29Å; I284-I288 PolarHBondContact O-N 3Å; I288-L291 WeakPolarHBondContact O-CB 3.4Å; I288-L291 PolarHBondContact O-N 3.19Å; I288-L291 VanDerWaalsContact O-N 3.14Å; I288-I292 HydrophobicContact CG2-CD1 4.1Å; I288-I292 PolarHBondContact O-N 3Å; I288-I292 VanDerWaalsContact O-N 3.15Å; I288-P339 HydrophobicContact CD1-CB 4.45Å; I288-I343 HydrophobicContact CD1-CD1 4.21Å; I288-I343 HydrophobicContact CD1-CG2 4.17Å; I288-I343 HydrophobicContact CG2-CG2 4.4Å; I288-L347 HydrophobicContact CG2-CD1 4.42Å
289E96.7Very high94.8Very high71 Ų7155.1 Ų55.133%0.33227%0.267SS..Hα-helixtrans-57.8-39.9178.7-69.6-178.917400113.7I284 H285 L291 I292 Q293I284-E289 HydrophobicContact CG2-CG 4.18Å; I284-E289 PolarHBondContact O-N 2.75Å; H285-E289 IonicContact CE1-OE2 3.02Å; H285-E289 IonicContact CG-OE2 3.72Å; H285-E289 IonicContact ND1-OE2 3.89Å; H285-E289 PolarHBondContact ND1-OE2 3.11Å; E289-L291 VanDerWaalsContact C-N 3.26Å; E289-L291 PolarHBondContact O-N 3.41Å; E289-I292 WeakPolarHBondContact O-CB 3.42Å; E289-I292 PolarHBondContact O-N 2.85Å; E289-I292 VanDerWaalsContact O-N 3.14Å; E289-Q293 WeakPolarHBondContact O-CG 3.32Å; E289-Q293 PolarHBondContact O-N 3.28Å
290P96.3Very high94.4Very high56 Ų5660 Ų6036%0.36429%0.29SS..Hα-helixtrans-62.8-33.2177-26.337.7000112.9H285 N286 Q293 R294H285-P290 WeakPolarHBondContact O-CD 2.9Å; N286-P290 WeakPolarHBondContact O-CG 3.36Å; P290-Q293 PolarHBondContact O-N 3.4Å; P290-R294 WeakPolarHBondContact O-CB 3.3Å; P290-R294 PolarHBondContact O-N 3.38Å
291L96.1Very high93.9Very high8 Ų865 Ų654%0.04231%0.313CS..Hα-helixtrans-69.8-39.9175.7-62.1178.6000111.4Y287 I288 E289 R294 Q295 L327 L332 I336 P339 L347Y287-L291 WeakPolarHBondContact O-CD1 3.33Å; I288-L291 WeakPolarHBondContact O-CB 3.4Å; I288-L291 PolarHBondContact O-N 3.19Å; I288-L291 VanDerWaalsContact O-N 3.14Å; E289-L291 VanDerWaalsContact C-N 3.26Å; E289-L291 PolarHBondContact O-N 3.41Å; L291-R294 PolarHBondContact O-N 3.01Å; L291-Q295 PolarHBondContact O-N 3.04Å; L291-L327 HydrophobicContact CB-CD1 4.07Å; L291-L332 HydrophobicContact CD2-CD1 3.81Å; L291-I336 HydrophobicContact CD2-CG2 4.4Å; L291-P339 VanDerWaalsContact CD1-CD 3.49Å; L291-P339 HydrophobicContact CD1-CG 4.12Å; L291-L347 HydrophobicContact CB-CD1 3.94Å; L291-L347 HydrophobicContact CD1-CD1 4.39Å
292I94.1Very high93.3Very high43 Ų4361.5 Ų61.522%0.22129%0.293CS..Hα-helixtrans-60.5-48.7173.3-66.4166.1000110.2I288 E289 R294 Q295 Q296 L347I288-I292 HydrophobicContact CG2-CD1 4.1Å; I288-I292 PolarHBondContact O-N 3Å; I288-I292 VanDerWaalsContact O-N 3.15Å; E289-I292 WeakPolarHBondContact O-CB 3.42Å; E289-I292 PolarHBondContact O-N 2.85Å; E289-I292 VanDerWaalsContact O-N 3.14Å; I292-R294 VanDerWaalsContact C-N 3.31Å; I292-R294 PolarHBondContact O-N 3.44Å; I292-Q295 WeakPolarHBondContact O-CB 3.07Å; I292-Q295 PolarHBondContact O-N 3.08Å; I292-Q296 HydrophobicContact CG2-CG 4.48Å; I292-Q296 WeakPolarHBondContact O-CG 3.37Å; I292-Q296 PolarHBondContact O-N 3.28Å; I292-L347 HydrophobicContact CD1-CD2 4.11Å; I292-L347 HydrophobicContact CG1-CD1 4.42Å; I292-L347 HydrophobicContact CG1-CD2 3.47Å; I292-L347 VanDerWaalsContact CG1-CD2 3.47Å
293Q94.8Very high92.7Very high97 Ų9762 Ų6245%0.45330%0.295SS..Hα-helixtrans-60.1-42.2178.7-69.5171.316.800111.2E289 P290 Q295 Q296 Q297E289-Q293 WeakPolarHBondContact O-CG 3.32Å; E289-Q293 PolarHBondContact O-N 3.28Å; P290-Q293 PolarHBondContact O-N 3.4Å; Q293-Q295 VanDerWaalsContact C-N 3.31Å; Q293-Q295 PolarHBondContact O-N 2.94Å; Q293-Q296 PolarHBondContact O-N 3.45Å; Q293-Q297 WeakPolarHBondContact O-CB 3.41Å; Q293-Q297 VanDerWaalsContact O-CG 3.27Å; Q293-Q297 WeakPolarHBondContact O-CG 3.39Å; Q293-Q297 PolarHBondContact O-N 3.24Å
294R92.3Very high92.2Very high101 Ų10167.9 Ų67.938%0.38132%0.321SS..Hα-helixtrans-60.7-41.7177.5-167.868.3175.1122.71.6112P290 L291 I292 Y298 F325 L327 L332P290-R294 WeakPolarHBondContact O-CB 3.3Å; P290-R294 PolarHBondContact O-N 3.38Å; L291-R294 PolarHBondContact O-N 3.01Å; I292-R294 VanDerWaalsContact C-N 3.31Å; I292-R294 PolarHBondContact O-N 3.44Å; R294-Y298 PolarHBondContact O-N 3.22Å; R294-Y298 VanDerWaalsContact O-N 3.15Å; R294-F325 HydrophobicContact CG-CE1 4.13Å; R294-F325 HydrophobicContact CG-CZ 4.39Å; R294-L327 HydrophobicContact CB-CD2 4.29Å; R294-L327 HydrophobicContact CG-CD2 4.39Å; R294-L332 HydrophobicContact CG-CD2 3.99Å
295Q89.8Confident91.7Very high27 Ų2770.8 Ų70.813%0.12634%0.336CS..Hα-helixtrans-64-45.4175.9-171.9178.749.900111.8L291 I292 Q293 Y298 T299 L347L291-Q295 PolarHBondContact O-N 3.04Å; I292-Q295 WeakPolarHBondContact O-CB 3.07Å; I292-Q295 PolarHBondContact O-N 3.08Å; Q293-Q295 VanDerWaalsContact C-N 3.31Å; Q293-Q295 PolarHBondContact O-N 2.94Å; Q295-Y298 PolarHBondContact O-N 3.27Å; Q295-T299 PolarHBondContact O-N 3.42Å; Q295-T299 PolarHBondContact O-OG1 3.4Å; Q295-L347 VanDerWaalsContact CD-O 3.26Å; Q295-L347 PolarHBondContact NE2-O 2.98Å; Q295-L347 PolarHBondContact OE1-O 2.85Å; Q295-L347 VanDerWaalsContact OE1-O 3.05Å
296Q90.5Very high90.9Very high102 Ų10266.3 Ų66.348%0.47732%0.318SS..Hα-helixtrans-62.1-43.9178.4-70171.4-400112.1I292 Q293 Y298 T299 Q300I292-Q296 HydrophobicContact CG2-CG 4.48Å; I292-Q296 WeakPolarHBondContact O-CG 3.37Å; I292-Q296 PolarHBondContact O-N 3.28Å; Q293-Q296 PolarHBondContact O-N 3.45Å; Q296-Y298 VanDerWaalsContact C-N 3.33Å; Q296-Y298 PolarHBondContact O-N 3.09Å; Q296-T299 PolarHBondContact O-N 2.91Å; Q296-Q300 VanDerWaalsContact O-CG 3.29Å; Q296-Q300 WeakPolarHBondContact O-CG 3.1Å; Q296-Q300 PolarHBondContact O-N 2.91Å
297Q91.5Very high90.2Very high100 Ų10069.9 Ų69.947%0.46733%0.333SS..Hα-helixtrans-58.6-44.2176.3-74.7172.2-7.100111.7Q293 Q300 Q301Q293-Q297 WeakPolarHBondContact O-CB 3.41Å; Q293-Q297 VanDerWaalsContact O-CG 3.27Å; Q293-Q297 WeakPolarHBondContact O-CG 3.39Å; Q293-Q297 PolarHBondContact O-N 3.24Å; Q297-Q300 PolarHBondContact O-N 3.37Å; Q297-Q301 WeakPolarHBondContact O-CB 3.42Å; Q297-Q301 PolarHBondContact O-N 2.76Å
298Y88.1Confident89.5Confident55 Ų5575 Ų7522%0.21636%0.358CS..Hα-helixtrans-62.9-47.4176.7-176.7-86000111.4R294 Q295 Q296 Q300 Q301 Q302 F325R294-Y298 PolarHBondContact O-N 3.22Å; R294-Y298 VanDerWaalsContact O-N 3.15Å; Q295-Y298 PolarHBondContact O-N 3.27Å; Q296-Y298 VanDerWaalsContact C-N 3.33Å; Q296-Y298 PolarHBondContact O-N 3.09Å; Y298-Q300 VanDerWaalsContact C-N 3.31Å; Y298-Q300 PolarHBondContact O-N 3.47Å; Y298-Q301 PolarHBondContact O-N 3.02Å; Y298-Q301 VanDerWaalsContact O-N 3.16Å; Y298-Q302 HydrophobicContact CD1-CG 3.69Å; Y298-Q302 HydrophobicContact CE1-CG 3.25Å; Y298-Q302 HydrophobicContact CE2-CG 4.41Å; Y298-Q302 HydrophobicContact CG-CG 4.45Å; Y298-Q302 WeakPolarHBondContact O-CG 3.07Å; Y298-Q302 PolarHBondContact O-N 2.91Å; Y298-F325 HydrophobicContact CD1-CB 3.14Å; Y298-F325 HydrophobicContact CD1-CD2 4.44Å; Y298-F325 AromaticContact CD1-CG 3.89Å; Y298-F325 HydrophobicContact CD1-CG 3.89Å; Y298-F325 HydrophobicContact CD2-CB 3.77Å; Y298-F325 HydrophobicContact CD2-CD1 4.43Å; Y298-F325 AromaticContact CD2-CD2 3.45Å; Y298-F325 HydrophobicContact CD2-CD2 3.45Å; Y298-F325 VanDerWaalsContact CD2-CD2 3.45Å; Y298-F325 HydrophobicContact CD2-CE2 4.09Å; Y298-F325 AromaticContact CD2-CG 3.66Å; Y298-F325 HydrophobicContact CD2-CG 3.66Å; Y298-F325 HydrophobicContact CE1-CB 3.29Å; Y298-F325 HydrophobicContact CE1-CG 4.26Å; Y298-F325 HydrophobicContact CE2-CB 3.9Å; Y298-F325 AromaticContact CE2-CD2 3.61Å; Y298-F325 HydrophobicContact CE2-CD2 3.61Å; Y298-F325 HydrophobicContact CE2-CE2 4.43Å; Y298-F325 HydrophobicContact CE2-CG 4.04Å; Y298-F325 HydrophobicContact CG-CB 3.38Å; Y298-F325 HydrophobicContact CG-CD1 4.1Å; Y298-F325 AromaticContact CG-CD2 3.88Å; Y298-F325 HydrophobicContact CG-CD2 3.88Å; Y298-F325 AromaticContact CG-CG 3.55Å; Y298-F325 HydrophobicContact CG-CG 3.55Å
299T85.7Confident88.2Confident65 Ų6578.4 Ų78.440%0.39937%0.374SS..Hα-helixtrans-57.6-44.5177.6-59.50000111.6Q295 Q296 Q302 Q303Q295-T299 PolarHBondContact O-N 3.42Å; Q295-T299 PolarHBondContact O-OG1 3.4Å; Q296-T299 PolarHBondContact O-N 2.91Å; T299-Q302 PolarHBondContact O-N 2.77Å; T299-Q303 VanDerWaalsContact O-CG 3.29Å; T299-Q303 WeakPolarHBondContact O-CG 3.13Å; T299-Q303 PolarHBondContact O-N 3.2Å
300Q88.6Confident86.6Confident101 Ų10183 Ų8347%0.47240%0.395SS..Hα-helixtrans-63.8-40.5176.8-70.7173.113.400112.3Q296 Q297 Y298 Q303 K304Q296-Q300 VanDerWaalsContact O-CG 3.29Å; Q296-Q300 WeakPolarHBondContact O-CG 3.1Å; Q296-Q300 PolarHBondContact O-N 2.91Å; Q297-Q300 PolarHBondContact O-N 3.37Å; Y298-Q300 VanDerWaalsContact C-N 3.31Å; Y298-Q300 PolarHBondContact O-N 3.47Å; Q300-Q303 PolarHBondContact O-N 3.49Å; Q300-K304 WeakPolarHBondContact O-CG 3.23Å; Q300-K304 PolarHBondContact O-N 3.48Å
301Q88.4Confident85.1Confident108 Ų10886.1 Ų86.151%0.50541%0.405SS..Hα-helixtrans-62.2-44.7176.4-174.4179.316.300111.3Q297 Y298 Q303 K304 L305Q297-Q301 WeakPolarHBondContact O-CB 3.42Å; Q297-Q301 PolarHBondContact O-N 2.76Å; Y298-Q301 PolarHBondContact O-N 3.02Å; Y298-Q301 VanDerWaalsContact O-N 3.16Å; Q301-Q303 PolarHBondContact O-N 2.81Å; Q301-K304 PolarHBondContact O-N 3.48Å; Q301-L305 HydrophobicContact CG-CD1 4.34Å; Q301-L305 WeakPolarHBondContact O-CG 3.44Å; Q301-L305 PolarHBondContact O-N 2.95Å
302Q84.2Confident83.4Confident46 Ų4690.1 Ų90.122%0.21543%0.431CS..Hα-helixtrans-65.3-38.2178-67.1-58.1-51.200112.5Y298 T299 L305 A306Y298-Q302 HydrophobicContact CD1-CG 3.69Å; Y298-Q302 HydrophobicContact CE1-CG 3.25Å; Y298-Q302 HydrophobicContact CE2-CG 4.41Å; Y298-Q302 HydrophobicContact CG-CG 4.45Å; Y298-Q302 WeakPolarHBondContact O-CG 3.07Å; Y298-Q302 PolarHBondContact O-N 2.91Å; T299-Q302 PolarHBondContact O-N 2.77Å; Q302-L305 PolarHBondContact O-N 2.92Å; Q302-A306 WeakPolarHBondContact O-CB 3.4Å; Q302-A306 PolarHBondContact O-N 3.4Å
303Q85.3Confident81.8Confident100 Ų10096.3 Ų96.347%0.46746%0.459SS..Hα-helixtrans-63.7-42.9174.3-73.5171.1-9.200111.8T299 Q300 Q301 A306 Q307T299-Q303 VanDerWaalsContact O-CG 3.29Å; T299-Q303 WeakPolarHBondContact O-CG 3.13Å; T299-Q303 PolarHBondContact O-N 3.2Å; Q300-Q303 PolarHBondContact O-N 3.49Å; Q301-Q303 PolarHBondContact O-N 2.81Å; Q303-A306 PolarHBondContact O-N 2.91Å; Q303-Q307 VanDerWaalsContact O-CG 3.31Å; Q303-Q307 WeakPolarHBondContact O-CG 3.44Å; Q303-Q307 PolarHBondContact O-N 3.38Å
304K87.8Confident79.9Confident126 Ų12696.3 Ų96.355%0.54846%0.459SS..Hα-helixtrans-62.8-43.3175.5-73.2176.2-179.4-178.50112.1Q300 Q301 A306 Q307 Q308Q300-K304 WeakPolarHBondContact O-CG 3.23Å; Q300-K304 PolarHBondContact O-N 3.48Å; Q301-K304 PolarHBondContact O-N 3.48Å; K304-A306 VanDerWaalsContact C-N 3.34Å; K304-A306 PolarHBondContact O-N 3.32Å; K304-Q307 PolarHBondContact O-N 3.47Å; K304-Q308 WeakPolarHBondContact O-CG 3.19Å; K304-Q308 PolarHBondContact O-N 2.97Å
305L85.6Confident78Confident71 Ų7194.4 Ų94.437%0.37245%0.454SS..Hα-helixtrans-62.9-40176.3-72.3172.3000112.1Q301 Q302 Q307 Q308Q301-L305 HydrophobicContact CG-CD1 4.34Å; Q301-L305 WeakPolarHBondContact O-CG 3.44Å; Q301-L305 PolarHBondContact O-N 2.95Å; Q302-L305 PolarHBondContact O-N 2.92Å; L305-Q307 VanDerWaalsContact C-N 3.34Å; L305-Q308 PolarHBondContact O-N 3.16Å
306A81Confident76.3Confident19 Ų19100.4 Ų100.416%0.15748%0.482CS..Hα-helixtrans-66.2-34.9176.700000112.6Q302 Q303 K304 Q309Q302-A306 WeakPolarHBondContact O-CB 3.4Å; Q302-A306 PolarHBondContact O-N 3.4Å; Q303-A306 PolarHBondContact O-N 2.91Å; K304-A306 VanDerWaalsContact C-N 3.34Å; K304-A306 PolarHBondContact O-N 3.32Å; A306-Q309 PolarHBondContact O-N 2.91Å
307Q82.6Confident74.5Confident143 Ų143102.1 Ų102.167%0.66849%0.49SS*.Hα-helixtrans-70.5-29.5176.9-72.4170.16.100113.2Q303 K304 L305 Q309Q303-Q307 VanDerWaalsContact O-CG 3.31Å; Q303-Q307 WeakPolarHBondContact O-CG 3.44Å; Q303-Q307 PolarHBondContact O-N 3.38Å; K304-Q307 PolarHBondContact O-N 3.47Å; L305-Q307 VanDerWaalsContact C-N 3.34Å; Q307-Q309 VanDerWaalsContact C-N 3.32Å
308Q83.2Confident72.7Confident135 Ų135100.9 Ų100.963%0.63149%0.485SS*.Hα-helixtrans-76-18.4178.5-70.9172.96.200113.3K304 L305 H310K304-Q308 WeakPolarHBondContact O-CG 3.19Å; K304-Q308 PolarHBondContact O-N 2.97Å; L305-Q308 PolarHBondContact O-N 3.16Å; Q308-H310 PolarHBondContact O-CD2 3.25Å; Q308-H310 PolarHBondContact O-N 3Å
309Q70.8Confident71Confident73 Ų73104.4 Ų104.434%0.34150%0.503SS..  trans-87.1100.2178.2-65.4-178.138.800109.8A306 Q307 H311 Q315A306-Q309 PolarHBondContact O-N 2.91Å; Q307-Q309 VanDerWaalsContact C-N 3.32Å; Q309-H311 PolarHBondContact O-N 3.35Å; Q309-Q315 PolarHBondContact O-NE2 3.38Å
310H62.3Low69.6Low167 Ų167105.6 Ų105.677%0.77351%0.514SS*.  trans-68.914-170.6-78.5-78.7000117.2Q308Q308-H310 PolarHBondContact O-CD2 3.25Å; Q308-H310 PolarHBondContact O-N 3Å
311H64.7Low68Low122 Ų122106.9 Ų106.957%0.56552%0.524SS*.  trans-109.6109-179.7-76.8-55.4000112.8Q309 Q313 Q314 Q315Q309-H311 PolarHBondContact O-N 3.35Å; H311-Q313 VanDerWaalsContact C-N 3.27Å; H311-Q313 PolarHBondContact O-N 3.39Å; H311-Q314 HydrophobicContact CB-CB 4.13Å; H311-Q314 HydrophobicContact CB-CG 4.09Å; H311-Q314 PolarHBondContact O-N 3.48Å; H311-Q315 PolarHBondContact O-N 3.04Å
312P61.1Low66.7Low92 Ų92105.8 Ų105.860%0.59752%0.519SS*.Hα-helixtrans-57.6-35.2-177.2-24.231.8000114.2Q314 Q315 Q316P312-Q314 VanDerWaalsContact C-N 3.35Å; P312-Q315 PolarHBondContact O-N 3.23Å; P312-Q316 PolarHBondContact O-N 3.07Å
313Q58.7Low65.8Low173 Ų173112.2 Ų112.281%0.80855%0.546SS*.Hα-helixtrans-71-29.8178.8-68.9177.6-4.900112.4H311H311-Q313 VanDerWaalsContact C-N 3.27Å; H311-Q313 PolarHBondContact O-N 3.39Å
314Q55.4Low65.3Low96 Ų96111.6 Ų111.645%0.44955%0.546SS..Hα-helixtrans-80.5-29.7174.7-67.1178.13.400111.8H311 P312 Q318H311-Q314 HydrophobicContact CB-CB 4.13Å; H311-Q314 HydrophobicContact CB-CG 4.09Å; H311-Q314 PolarHBondContact O-N 3.48Å; P312-Q314 VanDerWaalsContact C-N 3.35Å; Q314-Q318 VanDerWaalsContact O-CB 3.32Å; Q314-Q318 WeakPolarHBondContact O-CB 3.25Å; Q314-Q318 WeakPolarHBondContact O-CG 3.26Å; Q314-Q318 PolarHBondContact O-N 3.4Å
315Q52.8Low65.1Low61 Ų61106.4 Ų106.429%0.28552%0.523SS..Hα-helixtrans-63.9-43.3178.3-73.1175.88.900113Q309 H311 P312 Q319Q309-Q315 PolarHBondContact O-NE2 3.38Å; H311-Q315 PolarHBondContact O-N 3.04Å; P312-Q315 PolarHBondContact O-N 3.23Å; Q315-Q319 WeakPolarHBondContact O-CB 3.06Å; Q315-Q319 VanDerWaalsContact O-CG 3.28Å; Q315-Q319 WeakPolarHBondContact O-CG 3.2Å; Q315-Q319 PolarHBondContact O-N 2.86Å
316Q55.1Low65.3Low154 Ų154106.1 Ų106.172%0.7252%0.522SS*.Hα-helixtrans-67.1-42178.2-78-178.9-2.500112.3P312 Q319 S320P312-Q316 PolarHBondContact O-N 3.07Å; Q316-Q319 PolarHBondContact O-N 3.17Å; Q316-S320 PolarHBondContact O-N 3.44Å
317Q52.2Low65.8Low137 Ų137105.2 Ų105.264%0.6451%0.514SS*.Hα-helixtrans-72.5-28-179.4-148.1171.526.100112.6S320 N321Q317-S320 PolarHBondContact O-OG 3.44Å; Q317-N321 WeakPolarHBondContact O-CB 3.11Å; Q317-N321 PolarHBondContact O-N 3.24Å; Q317-N321 PolarHBondContact O-ND2 3.36Å
318Q52.6Low66.1Low75 Ų75100.8 Ų100.835%0.3550%0.495SS..Hα-helixtrans-81.3-32.9172.7-75.1-178.51500113.3Q314 S320 N321 Q322Q314-Q318 VanDerWaalsContact O-CB 3.32Å; Q314-Q318 WeakPolarHBondContact O-CB 3.25Å; Q314-Q318 WeakPolarHBondContact O-CG 3.26Å; Q314-Q318 PolarHBondContact O-N 3.4Å; Q318-S320 VanDerWaalsContact C-N 3.27Å; Q318-S320 PolarHBondContact O-N 3.41Å; Q318-N321 CarbonylContact O-C 3.58Å; Q318-N321 PolarHBondContact O-N 3.26Å; Q318-Q322 PolarHBondContact O-N 2.6Å
319Q53.9Low66.2Low128 Ų12895.2 Ų95.260%0.59847%0.469SS*.Hα-helixtrans-60.7-37.7172.8-80.317718.500111.6Q315 Q316 N321Q315-Q319 WeakPolarHBondContact O-CB 3.06Å; Q315-Q319 VanDerWaalsContact O-CG 3.28Å; Q315-Q319 WeakPolarHBondContact O-CG 3.2Å; Q315-Q319 PolarHBondContact O-N 2.86Å; Q316-Q319 PolarHBondContact O-N 3.17Å; Q319-N321 VanDerWaalsContact C-N 3.33Å
320S54.5Low66.9Low91 Ų9198.2 Ų98.264%0.63649%0.487SS*.Hα-helixtrans-71.4-26.2172.861.20000113.6Q316 Q317 Q318Q316-S320 PolarHBondContact O-N 3.44Å; Q317-S320 PolarHBondContact O-OG 3.44Å; Q318-S320 VanDerWaalsContact C-N 3.27Å; Q318-S320 PolarHBondContact O-N 3.41Å
321N55.9Low68Low127 Ų12793.7 Ų93.768%0.67947%0.468SS*.THydrogen-bonded Turntrans-98.87.6-178.3-75.6-13000113.9Q317 Q318 Q319 K323Q317-N321 WeakPolarHBondContact O-CB 3.11Å; Q317-N321 PolarHBondContact O-N 3.24Å; Q317-N321 PolarHBondContact O-ND2 3.36Å; Q318-N321 CarbonylContact O-C 3.58Å; Q318-N321 PolarHBondContact O-N 3.26Å; Q319-N321 VanDerWaalsContact C-N 3.33Å; N321-K323 PolarHBondContact O-N 2.65Å
322Q61.2Low69.2Low85 Ų8589.5 Ų89.540%0.39745%0.45SS..  trans-67.6100.5-175.9-140.617332.200109.2Q318 L324Q318-Q322 PolarHBondContact O-N 2.6Å; Q322-L324 PolarHBondContact O-N 3.11Å; Q322-L324 VanDerWaalsContact O-N 3.08Å
323K66Low70.6Confident181 Ų18186.5 Ų86.579%0.78744%0.436SS*.  trans-59.8117.3-179.5-166.9176.2-177.7-178.90108.7N321 F325N321-K323 PolarHBondContact O-N 2.65Å; K323-F325 PolarHBondContact O-N 2.93Å
324L73.2Confident71.9Confident88 Ų8882 Ų8246%0.46141%0.412SS..  trans-57.5125.9177.6-175.460.9000109.3Q322 L326 N348Q322-L324 PolarHBondContact O-N 3.11Å; Q322-L324 VanDerWaalsContact O-N 3.08Å; L324-L326 HydrophobicContact CD2-CD2 3.93Å; L324-L326 HydrophobicContact CG-CD2 4.03Å; L324-L326 PolarHBondContact O-N 3.18Å; L324-N348 VanDerWaalsContact CD2-O 3.31Å; L324-N348 WeakPolarHBondContact CD2-O 3.33Å
325F83.8Confident73.4Confident17 Ų1786.5 Ų86.58%0.07543%0.43CS..  trans-72.9111.8171177.5-100.4000109.2R294 Y298 K323 L327 N331R294-F325 HydrophobicContact CG-CE1 4.13Å; R294-F325 HydrophobicContact CG-CZ 4.39Å; Y298-F325 HydrophobicContact CD1-CB 3.14Å; Y298-F325 HydrophobicContact CD1-CD2 4.44Å; Y298-F325 AromaticContact CD1-CG 3.89Å; Y298-F325 HydrophobicContact CD1-CG 3.89Å; Y298-F325 HydrophobicContact CD2-CB 3.77Å; Y298-F325 HydrophobicContact CD2-CD1 4.43Å; Y298-F325 AromaticContact CD2-CD2 3.45Å; Y298-F325 HydrophobicContact CD2-CD2 3.45Å; Y298-F325 VanDerWaalsContact CD2-CD2 3.45Å; Y298-F325 HydrophobicContact CD2-CE2 4.09Å; Y298-F325 AromaticContact CD2-CG 3.66Å; Y298-F325 HydrophobicContact CD2-CG 3.66Å; Y298-F325 HydrophobicContact CE1-CB 3.29Å; Y298-F325 HydrophobicContact CE1-CG 4.26Å; Y298-F325 HydrophobicContact CE2-CB 3.9Å; Y298-F325 AromaticContact CE2-CD2 3.61Å; Y298-F325 HydrophobicContact CE2-CD2 3.61Å; Y298-F325 HydrophobicContact CE2-CE2 4.43Å; Y298-F325 HydrophobicContact CE2-CG 4.04Å; Y298-F325 HydrophobicContact CG-CB 3.38Å; Y298-F325 HydrophobicContact CG-CD1 4.1Å; Y298-F325 AromaticContact CG-CD2 3.88Å; Y298-F325 HydrophobicContact CG-CD2 3.88Å; Y298-F325 AromaticContact CG-CG 3.55Å; Y298-F325 HydrophobicContact CG-CG 3.55Å; K323-F325 PolarHBondContact O-N 2.93Å; F325-L327 HydrophobicContact CD1-CD2 4.46Å; F325-L327 HydrophobicContact CE1-CD2 3.82Å; F325-N331 HydrophobicContact CE2-CB 3.6Å; F325-N331 WeakPolarHBondContact CE2-ND2 3.37Å; F325-N331 HydrophobicContact CZ-CB 3.75Å
326L89.9Confident75.3Confident64 Ų6487 Ų8734%0.33543%0.434SS..  trans-90.8125.2174.6-58.9179000108.4L324 N328 N331 N348 T350L324-L326 HydrophobicContact CD2-CD2 3.93Å; L324-L326 HydrophobicContact CG-CD2 4.03Å; L324-L326 PolarHBondContact O-N 3.18Å; L326-N328 PolarHBondContact O-N 2.72Å; L326-N328 VanDerWaalsContact O-N 3.07Å; L326-N331 PolarHBondContact O-ND2 2.91Å; L326-N348 WeakPolarHBondContact CA-OD1 3.21Å; L326-N348 HydrophobicContact CD2-CB 3.92Å; L326-T350 HydrophobicContact CD2-CG2 3.89Å
327L91.5Very high77.2Confident1 Ų180.2 Ų80.21%0.00540%0.402CS..  trans-63.5104.8163.8-60.7166.2000107.1L291 R294 F325 L332 L344 L347 N348L291-L327 HydrophobicContact CB-CD1 4.07Å; R294-L327 HydrophobicContact CB-CD2 4.29Å; R294-L327 HydrophobicContact CG-CD2 4.39Å; F325-L327 HydrophobicContact CD1-CD2 4.46Å; F325-L327 HydrophobicContact CE1-CD2 3.82Å; L327-L332 HydrophobicContact CB-CD1 3.89Å; L327-L332 HydrophobicContact CD2-CD1 3.91Å; L327-L332 HydrophobicContact CD2-CD2 4.29Å; L327-L344 HydrophobicContact CB-CD1 3.59Å; L327-L344 HydrophobicContact CD1-CD1 4.26Å; L327-L347 HydrophobicContact CD1-CB 3.82Å; L327-L347 HydrophobicContact CD1-CD1 4.06Å; L327-N348 WeakPolarHBondContact CB-OD1 2.95Å; L327-N348 WeakPolarHBondContact CG-OD1 2.8Å; L327-N348 PolarHBondContact N-OD1 3.22Å; L327-N348 PolarHBondContact O-ND2 2.99Å; L327-N348 VanDerWaalsContact O-ND2 3.12Å
328N90.1Very high79.2Confident50 Ų5073.9 Ų73.927%0.26737%0.373SS..SBendtrans-150.1177.6-179.768.417.7000109.8L326 D330 N331 L332L326-N328 PolarHBondContact O-N 2.72Å; L326-N328 VanDerWaalsContact O-N 3.07Å; N328-D330 PolarHBondContact O-N 2.95Å; N328-D330 PolarHBondContact OD1-N 3.32Å; N328-N331 PolarHBondContact O-N 2.85Å; N328-N331 WeakPolarHBondContact OD1-CB 3.45Å; N328-N331 PolarHBondContact OD1-N 2.82Å; N328-N331 PolarHBondContact OD1-ND2 3.18Å; N328-L332 VanDerWaalsContact O-CB 3.31Å; N328-L332 WeakPolarHBondContact O-CB 3.42Å; N328-L332 WeakPolarHBondContact O-CG 3.47Å; N328-L332 PolarHBondContact O-N 2.95Å
329Y84.1Confident81.3Confident18 Ų1870.4 Ų70.47%0.07136%0.357CS..Hα-helixtrans-62-41.9-179.2-78.4-66.1000114.6L87 H143 R146 N331 L332 G333 Y334L87-Y329 WeakPolarHBondContact O-CE2 3.26Å; L87-Y329 PolarHBondContact O-OH 3.45Å; H143-Y329 AromaticContact CE1-CZ 3.4Å; H143-Y329 VanDerWaalsContact CE1-CZ 3.4Å; H143-Y329 PolarHBondContact CE1-OH 2.53Å; H143-Y329 AromaticContact NE2-CZ 3.92Å; H143-Y329 PolarHBondContact NE2-OH 3.16Å; H143-Y329 VanDerWaalsContact NE2-OH 3.11Å; R146-Y329 VanDerWaalsContact CZ-OH 3.23Å; R146-Y329 VanDerWaalsContact NH1-CZ 3.31Å; R146-Y329 PolarHBondContact NH1-OH 3.17Å; R146-Y329 PolarHBondContact NH2-OH 3.34Å; Y329-N331 PolarHBondContact O-N 2.96Å; Y329-L332 PolarHBondContact O-N 3.34Å; Y329-G333 WeakPolarHBondContact O-CA 3.31Å; Y329-G333 PolarHBondContact O-N 3.37Å; Y329-Y334 AromaticContact CD1-CD1 3.57Å; Y329-Y334 HydrophobicContact CD1-CD1 3.57Å; Y329-Y334 HydrophobicContact CD1-CE1 4.04Å; Y329-Y334 HydrophobicContact CD1-CG 4.41Å; Y329-Y334 AromaticContact CE1-CD1 3.96Å; Y329-Y334 HydrophobicContact CE1-CD1 3.96Å; Y329-Y334 HydrophobicContact CG-CD1 4.07Å; Y329-Y334 HydrophobicContact CG-CE1 4.05Å
330D85.4Confident83.4Confident136 Ų13664.4 Ų64.473%0.72733%0.328SS*.Hα-helixtrans-60.2-32.3-177.5-54.6-30.7000111.1N328N328-D330 PolarHBondContact O-N 2.95Å; N328-D330 PolarHBondContact OD1-N 3.32Å
331N86.9Confident85.3Confident72 Ų7260 Ų6039%0.38530%0.298SS..Hα-helixtrans-95.2-26.3-177.4-69.1-29.9000114.7F325 L326 N328 Y329F325-N331 HydrophobicContact CE2-CB 3.6Å; F325-N331 WeakPolarHBondContact CE2-ND2 3.37Å; F325-N331 HydrophobicContact CZ-CB 3.75Å; L326-N331 PolarHBondContact O-ND2 2.91Å; N328-N331 PolarHBondContact O-N 2.85Å; N328-N331 WeakPolarHBondContact OD1-CB 3.45Å; N328-N331 PolarHBondContact OD1-N 2.82Å; N328-N331 PolarHBondContact OD1-ND2 3.18Å; Y329-N331 PolarHBondContact O-N 2.96Å
332L89.5Confident87.2Confident33 Ų3354 Ų5417%0.17327%0.266CS..Hα-helixtrans-109.4-25.7-173-64.1174.1000113L291 R294 L327 N328 Y329 I336 M338L291-L332 HydrophobicContact CD2-CD1 3.81Å; R294-L332 HydrophobicContact CG-CD2 3.99Å; L327-L332 HydrophobicContact CB-CD1 3.89Å; L327-L332 HydrophobicContact CD2-CD1 3.91Å; L327-L332 HydrophobicContact CD2-CD2 4.29Å; N328-L332 VanDerWaalsContact O-CB 3.31Å; N328-L332 WeakPolarHBondContact O-CB 3.42Å; N328-L332 WeakPolarHBondContact O-CG 3.47Å; N328-L332 PolarHBondContact O-N 2.95Å; Y329-L332 PolarHBondContact O-N 3.34Å; L332-I336 HydrophobicContact CB-CB 4.27Å; L332-I336 HydrophobicContact CB-CG1 4.26Å; L332-I336 HydrophobicContact CB-CG2 4.33Å; L332-I336 WeakPolarHBondContact O-CG1 3.27Å; L332-M338 HydrophobicContact CB-CE 3.78Å; L332-M338 HydrophobicContact CD1-CE 3.45Å; L332-M338 VanDerWaalsContact CD1-CE 3.45Å; L332-M338 HydrophobicContact CD1-SD 3.8Å; L332-M338 HydrophobicContact CG-CE 4.21Å
333G89.3Confident88.8Confident29 Ų2950 Ų5030%0.29925%0.247SC..  trans89.1155.7-177.100000114.1Y329 K335 I336Y329-G333 WeakPolarHBondContact O-CA 3.31Å; Y329-G333 PolarHBondContact O-N 3.37Å; G333-K335 PolarHBondContact O-N 3.01Å; G333-I336 PolarHBondContact O-N 3.04Å
334Y86Confident90.2Very high79 Ų7941.9 Ų41.931%0.3121%0.212SC..THydrogen-bonded Turntrans-68.9-14.9-173.5-62.8-68.3000115.2N45 T88 R146 Y329N45-Y334 HydrophobicContact CB-CD2 4.5Å; N45-Y334 HydrophobicContact CB-CE2 4.27Å; T88-Y334 HydrophobicContact CG2-CE1 3.79Å; R146-Y334 WeakPolarHBondContact CD-O 3.27Å; R146-Y334 PolarHBondContact NE-O 3.3Å; R146-Y334 PolarHBondContact NH1-O 2.91Å; Y329-Y334 AromaticContact CD1-CD1 3.57Å; Y329-Y334 HydrophobicContact CD1-CD1 3.57Å; Y329-Y334 HydrophobicContact CD1-CE1 4.04Å; Y329-Y334 HydrophobicContact CD1-CG 4.41Å; Y329-Y334 AromaticContact CE1-CD1 3.96Å; Y329-Y334 HydrophobicContact CE1-CD1 3.96Å; Y329-Y334 HydrophobicContact CG-CD1 4.07Å; Y329-Y334 HydrophobicContact CG-CE1 4.05Å
335K88.3Confident91.3Very high191 Ų19138.1 Ų38.183%0.8319%0.193SC*.THydrogen-bonded Turntrans-85.8-11.9178.4-66-174.2178.1-178.10113.1G333G333-K335 PolarHBondContact O-N 3.01Å
336I92.5Very high91.8Very high72 Ų7241 Ų4137%0.36920%0.203SC..SBendtrans-78.8130.8-179-60-57.5000110R146 L291 L332 G333 M338R146-I336 WeakPolarHBondContact CD-O 3.36Å; R146-I336 PolarHBondContact NH1-O 3.36Å; R146-I336 VanDerWaalsContact NH1-O 3.17Å; L291-I336 HydrophobicContact CD2-CG2 4.4Å; L332-I336 HydrophobicContact CB-CB 4.27Å; L332-I336 HydrophobicContact CB-CG1 4.26Å; L332-I336 HydrophobicContact CB-CG2 4.33Å; L332-I336 WeakPolarHBondContact O-CG1 3.27Å; G333-I336 PolarHBondContact O-N 3.04Å; I336-M338 HydrophobicContact CB-CE 4.29Å; I336-M338 HydrophobicContact CG2-CE 4.09Å; I336-M338 HydrophobicContact CG2-SD 4.5Å
337H94.9Very high92Very high11 Ų1138.3 Ų38.35%0.05119%0.19CC..  trans-66.5137.3169168.581.6000109.8Q105 H143 R146 Y283 Y287Q105-H337 PolarHBondContact OE1-CE1 2.92Å; H143-H337 PolarHBondContact O-ND1 3.17Å; R146-H337 HydrophobicContact CB-CB 4.29Å; Y283-H337 AromaticContact CE2-NE2 3.61Å; Y283-H337 AromaticContact CZ-NE2 3.67Å; Y283-H337 PolarHBondContact OH-NE2 3.49Å; Y287-H337 HydrophobicContact CD1-CB 3.93Å; Y287-H337 AromaticContact CD1-CD2 3.73Å; Y287-H337 AromaticContact CD1-CG 3.89Å; Y287-H337 HydrophobicContact CE1-CB 4.37Å
338M94.6Very high92.1Very high4 Ų438.7 Ų38.72%0.0219%0.191CC..  trans-118.1139.2169.4-53.6-69171.800108.5H143 L332 I336 L344H143-M338 WeakPolarHBondContact CB-O 3.48Å; H143-M338 WeakPolarHBondContact CE1-CB 3.33Å; H143-M338 WeakPolarHBondContact CE1-CG 3.34Å; H143-M338 WeakPolarHBondContact ND1-CB 3.33Å; H143-M338 PolarHBondContact ND1-N 3.05Å; L332-M338 HydrophobicContact CB-CE 3.78Å; L332-M338 HydrophobicContact CD1-CE 3.45Å; L332-M338 VanDerWaalsContact CD1-CE 3.45Å; L332-M338 HydrophobicContact CD1-SD 3.8Å; L332-M338 HydrophobicContact CG-CE 4.21Å; I336-M338 HydrophobicContact CB-CE 4.29Å; I336-M338 HydrophobicContact CG2-CE 4.09Å; I336-M338 HydrophobicContact CG2-SD 4.5Å; M338-L344 HydrophobicContact SD-CD1 4.23Å
339P96.8Very high92.2Very high2 Ų244.1 Ų44.11%0.01321%0.213CC..  trans-71.2-175175.133.3-37.5000110.5Y139 I288 L291 T341 I343Y139-P339 PolarHBondContact OH-O 2.89Å; I288-P339 HydrophobicContact CD1-CB 4.45Å; L291-P339 VanDerWaalsContact CD1-CD 3.49Å; L291-P339 HydrophobicContact CD1-CG 4.12Å; P339-T341 PolarHBondContact O-N 3.34Å; P339-I343 HydrophobicContact CB-CB 3.96Å; P339-I343 HydrophobicContact CB-CD1 3.94Å; P339-I343 HydrophobicContact CB-CG2 3.85Å; P339-I343 HydrophobicContact CG-CB 3.85Å; P339-I343 HydrophobicContact CG-CG2 3.48Å; P339-I343 VanDerWaalsContact CG-CG2 3.48Å
340H96.3Very high92.6Very high1 Ų145.9 Ų45.91%0.00523%0.226CC..  trans-47.5141.7172.9-174.6-90.4000112.4H101 V103 R104 H136 F262 N342 I343 L344H101-H340 PolarHBondContact O-NE2 2.91Å; V103-H340 PolarHBondContact O-CD2 3.37Å; R104-H340 HydrophobicContact CB-CB 4Å; H136-H340 AromaticContact CE1-CD2 3.54Å; H136-H340 AromaticContact CE1-NE2 3.22Å; H136-H340 PolarHBondContact CE1-NE2 3.45Å; H136-H340 AromaticContact NE2-CD2 3.98Å; H136-H340 AromaticContact NE2-NE2 3.75Å; F262-H340 HydrophobicContact CE2-CB 4.16Å; F262-H340 AromaticContact CE2-CG 3.78Å; F262-H340 AromaticContact CE2-ND1 3.64Å; F262-H340 AromaticContact CZ-CE1 3.56Å; F262-H340 AromaticContact CZ-CG 3.9Å; F262-H340 AromaticContact CZ-ND1 3.54Å; F262-H340 AromaticContact CZ-NE2 3.9Å; H340-N342 VanDerWaalsContact C-N 3.25Å; H340-N342 PolarHBondContact CE1-OD1 3.48Å; H340-N342 VanDerWaalsContact CE1-OD1 3.32Å; H340-N342 PolarHBondContact ND1-N 3.46Å; H340-N342 PolarHBondContact O-N 3.07Å; H340-N342 VanDerWaalsContact O-N 3.09Å; H340-I343 HydrophobicContact CB-CD1 4.05Å; H340-I343 HydrophobicContact CB-CG1 4.31Å; H340-I343 WeakPolarHBondContact O-CA 3.45Å; H340-I343 WeakPolarHBondContact O-CB 3.23Å; H340-I343 PolarHBondContact O-N 2.84Å; H340-L344 PolarHBondContact O-N 3.1Å; H340-L344 VanDerWaalsContact O-N 3.11Å
341T94.9Very high92.9Very high0 Ų041.7 Ų41.70%020%0.203CC..Hα-helixtrans-47.9-43.5-178.7-53.90000113.3C94 H95 Y139 P339 I343 L344 D345C94-T341 HydrophobicContact CB-CG2 3.86Å; H95-T341 WeakPolarHBondContact CE1-CG2 3.31Å; H95-T341 WeakPolarHBondContact ND1-CG2 3.3Å; H95-T341 WeakPolarHBondContact NE2-CG2 3.42Å; Y139-T341 WeakPolarHBondContact CE1-OG1 3.34Å; P339-T341 PolarHBondContact O-N 3.34Å; T341-I343 VanDerWaalsContact C-N 3.34Å; T341-I343 PolarHBondContact O-N 3.19Å; T341-L344 WeakPolarHBondContact O-CB 3.44Å; T341-L344 PolarHBondContact O-N 3.23Å; T341-D345 WeakPolarHBondContact O-CB 3.45Å; T341-D345 PolarHBondContact O-N 3.43Å
342N95.1Very high93Very high0 Ų043.4 Ų43.40%021%0.207CC..Hα-helixtrans-66.7-29.2177.2-63.7147.3000114.6C94 P98 G99 W263 H340 Y346 I351C94-N342 PolarHBondContact O-ND2 2.8Å; P98-N342 WeakPolarHBondContact CA-OD1 3.27Å; G99-N342 PolarHBondContact N-OD1 3.44Å; W263-N342 HydrophobicContact CB-CB 3.87Å; W263-N342 HydrophobicContact CD2-CB 3.66Å; W263-N342 HydrophobicContact CE3-CB 3.74Å; W263-N342 HydrophobicContact CG-CB 3.73Å; H340-N342 VanDerWaalsContact C-N 3.25Å; H340-N342 PolarHBondContact CE1-OD1 3.48Å; H340-N342 VanDerWaalsContact CE1-OD1 3.32Å; H340-N342 PolarHBondContact ND1-N 3.46Å; H340-N342 PolarHBondContact O-N 3.07Å; H340-N342 VanDerWaalsContact O-N 3.09Å; N342-Y346 VanDerWaalsContact O-CB 3.22Å; N342-Y346 WeakPolarHBondContact O-CB 3.46Å; N342-Y346 PolarHBondContact O-N 3.41Å; N342-I351 HydrophobicContact CB-CD1 3.95Å
343I96.1Very high92.4Very high1 Ų150.8 Ų50.81%0.00524%0.24CC..Hα-helixtrans-67.3-47.5171-65.1167.8000108.5W263 R278 I288 P339 H340 T341 D345 Y346 L347W263-I343 HydrophobicContact CB-CB 4.37Å; W263-I343 HydrophobicContact CB-CG1 3.66Å; R278-I343 HydrophobicContact CB-CD1 4.16Å; R278-I343 HydrophobicContact CG-CD1 4.22Å; R278-I343 HydrophobicContact CG-CG1 4.38Å; I288-I343 HydrophobicContact CD1-CD1 4.21Å; I288-I343 HydrophobicContact CD1-CG2 4.17Å; I288-I343 HydrophobicContact CG2-CG2 4.4Å; P339-I343 HydrophobicContact CB-CB 3.96Å; P339-I343 HydrophobicContact CB-CD1 3.94Å; P339-I343 HydrophobicContact CB-CG2 3.85Å; P339-I343 HydrophobicContact CG-CB 3.85Å; P339-I343 HydrophobicContact CG-CG2 3.48Å; P339-I343 VanDerWaalsContact CG-CG2 3.48Å; H340-I343 HydrophobicContact CB-CD1 4.05Å; H340-I343 HydrophobicContact CB-CG1 4.31Å; H340-I343 WeakPolarHBondContact O-CA 3.45Å; H340-I343 WeakPolarHBondContact O-CB 3.23Å; H340-I343 PolarHBondContact O-N 2.84Å; T341-I343 VanDerWaalsContact C-N 3.34Å; T341-I343 PolarHBondContact O-N 3.19Å; I343-D345 PolarHBondContact O-N 3.49Å; I343-Y346 PolarHBondContact O-N 3.25Å; I343-L347 HydrophobicContact CG2-CD1 4.34Å; I343-L347 HydrophobicContact CG2-CG 4.44Å; I343-L347 VanDerWaalsContact O-CG 3.31Å; I343-L347 WeakPolarHBondContact O-CG 2.8Å; I343-L347 PolarHBondContact O-N 3.36Å
344L95.1Very high91.6Very high11 Ų1151.3 Ų51.36%0.05824%0.236CC..Hα-helixtrans-61.2-43.4179-169.465.3000112L327 M338 H340 T341 L347 N348L327-L344 HydrophobicContact CB-CD1 3.59Å; L327-L344 HydrophobicContact CD1-CD1 4.26Å; M338-L344 HydrophobicContact SD-CD1 4.23Å; H340-L344 PolarHBondContact O-N 3.1Å; H340-L344 VanDerWaalsContact O-N 3.11Å; T341-L344 WeakPolarHBondContact O-CB 3.44Å; T341-L344 PolarHBondContact O-N 3.23Å; L344-L347 PolarHBondContact O-N 3.33Å; L344-N348 VanDerWaalsContact O-CB 3.28Å; L344-N348 WeakPolarHBondContact O-CB 3.46Å; L344-N348 PolarHBondContact O-N 3.09Å; L344-N348 PolarHBondContact O-ND2 3.31Å
345D95.1Very high90.7Very high9 Ų955.5 Ų55.55%0.04826%0.255CS..Hα-helixtrans-64.7-38.7175.6-77.1-25.8000112.6H95 T341 I343 N348 K349 T350 I351H95-D345 IonicContact CE1-OD1 2.68Å; H95-D345 PolarHBondContact CE1-OD1 3.44Å; H95-D345 VanDerWaalsContact CE1-OD1 3.28Å; H95-D345 IonicContact CE1-OD2 3.92Å; H95-D345 IonicContact CG-OD2 3.76Å; H95-D345 VanDerWaalsContact ND1-CG 3.26Å; H95-D345 IonicContact ND1-OD1 2.9Å; H95-D345 PolarHBondContact ND1-OD1 3.27Å; H95-D345 IonicContact ND1-OD2 2.89Å; H95-D345 PolarHBondContact ND1-OD2 2.88Å; T341-D345 WeakPolarHBondContact O-CB 3.45Å; T341-D345 PolarHBondContact O-N 3.43Å; I343-D345 PolarHBondContact O-N 3.49Å; D345-N348 CarbonylContact O-C 3.33Å; D345-N348 PolarHBondContact O-N 2.89Å; D345-K349 PolarHBondContact O-N 3.27Å; D345-T350 WeakPolarHBondContact CA-OG1 3.38Å; D345-T350 PolarHBondContact O-N 3.22Å; D345-T350 PolarHBondContact O-OG1 3.22Å; D345-T350 PolarHBondContact OD1-OG1 3.31Å; D345-I351 HydrophobicContact CB-CB 4.26Å; D345-I351 HydrophobicContact CB-CD1 3.8Å; D345-I351 PolarHBondContact O-N 3.03Å
346Y94.9Very high89.5Confident76 Ų7650.6 Ų50.630%0.29824%0.237SC..Hα-helixtrans-63.5-48.1175178.1-91.8000110.9E264 P265 N342 I343 N348 K349E264-Y346 HydrophobicContact CB-CE2 4.36Å; E264-Y346 HydrophobicContact CG-CD2 3.95Å; E264-Y346 HydrophobicContact CG-CE2 3.68Å; P265-Y346 WeakPolarHBondContact CD-OH 3.28Å; P265-Y346 HydrophobicContact CG-CE1 4.05Å; N342-Y346 VanDerWaalsContact O-CB 3.22Å; N342-Y346 WeakPolarHBondContact O-CB 3.46Å; N342-Y346 PolarHBondContact O-N 3.41Å; I343-Y346 PolarHBondContact O-N 3.25Å; Y346-N348 VanDerWaalsContact C-N 3.34Å; Y346-N348 PolarHBondContact O-N 3.36Å; Y346-K349 PolarHBondContact O-N 3.15Å
347L94.1Very high88Confident9 Ų951.6 Ų51.65%0.04724%0.241CC..Hα-helixtrans-57.1-50.3174.3-66.8-177.7000110I288 L291 I292 Q295 L327 I343 L344 K349I288-L347 HydrophobicContact CG2-CD1 4.42Å; L291-L347 HydrophobicContact CB-CD1 3.94Å; L291-L347 HydrophobicContact CD1-CD1 4.39Å; I292-L347 HydrophobicContact CD1-CD2 4.11Å; I292-L347 HydrophobicContact CG1-CD1 4.42Å; I292-L347 HydrophobicContact CG1-CD2 3.47Å; I292-L347 VanDerWaalsContact CG1-CD2 3.47Å; Q295-L347 VanDerWaalsContact CD-O 3.26Å; Q295-L347 PolarHBondContact NE2-O 2.98Å; Q295-L347 PolarHBondContact OE1-O 2.85Å; Q295-L347 VanDerWaalsContact OE1-O 3.05Å; L327-L347 HydrophobicContact CD1-CB 3.82Å; L327-L347 HydrophobicContact CD1-CD1 4.06Å; I343-L347 HydrophobicContact CG2-CD1 4.34Å; I343-L347 HydrophobicContact CG2-CG 4.44Å; I343-L347 VanDerWaalsContact O-CG 3.31Å; I343-L347 WeakPolarHBondContact O-CG 2.8Å; I343-L347 PolarHBondContact O-N 3.36Å; L344-L347 PolarHBondContact O-N 3.33Å; L347-K349 PolarHBondContact O-N 3.38Å
348N93.6Very high86.2Confident8 Ų855.1 Ų55.14%0.04327%0.267CS..THydrogen-bonded Turntrans-66.7-4.7177.5-76.5-23.6000114.7L324 L326 L327 L344 D345 Y346 T350L324-N348 VanDerWaalsContact CD2-O 3.31Å; L324-N348 WeakPolarHBondContact CD2-O 3.33Å; L326-N348 WeakPolarHBondContact CA-OD1 3.21Å; L326-N348 HydrophobicContact CD2-CB 3.92Å; L327-N348 WeakPolarHBondContact CB-OD1 2.95Å; L327-N348 WeakPolarHBondContact CG-OD1 2.8Å; L327-N348 PolarHBondContact N-OD1 3.22Å; L327-N348 PolarHBondContact O-ND2 2.99Å; L327-N348 VanDerWaalsContact O-ND2 3.12Å; L344-N348 VanDerWaalsContact O-CB 3.28Å; L344-N348 WeakPolarHBondContact O-CB 3.46Å; L344-N348 PolarHBondContact O-N 3.09Å; L344-N348 PolarHBondContact O-ND2 3.31Å; D345-N348 CarbonylContact O-C 3.33Å; D345-N348 PolarHBondContact O-N 2.89Å; Y346-N348 VanDerWaalsContact C-N 3.34Å; Y346-N348 PolarHBondContact O-N 3.36Å; N348-T350 HydrophobicContact CB-CG2 4.1Å; N348-T350 WeakPolarHBondContact CB-OG1 2.82Å; N348-T350 PolarHBondContact O-N 3.39Å
349K91.8Very high84.5Confident164 Ų16456.5 Ų56.571%0.71327%0.272SS*.THydrogen-bonded Turntrans55.729.4-173.2-52.9178-178176.60112.9D345 Y346 L347D345-K349 PolarHBondContact O-N 3.27Å; Y346-K349 PolarHBondContact O-N 3.15Å; L347-K349 PolarHBondContact O-N 3.38Å
350T93.1Very high82.7Confident56 Ų5657.6 Ų57.634%0.34428%0.276SS..  trans-106.52.8177.952.90000112.7L326 D345 N348 K352L326-T350 HydrophobicContact CD2-CG2 3.89Å; D345-T350 WeakPolarHBondContact CA-OG1 3.38Å; D345-T350 PolarHBondContact O-N 3.22Å; D345-T350 PolarHBondContact O-OG1 3.22Å; D345-T350 PolarHBondContact OD1-OG1 3.31Å; N348-T350 HydrophobicContact CB-CG2 4.1Å; N348-T350 WeakPolarHBondContact CB-OG1 2.82Å; N348-T350 PolarHBondContact O-N 3.39Å; T350-K352 PolarHBondContact O-N 3.38Å
351I92.7Very high80.9Confident48 Ų4860.5 Ų60.525%0.24629%0.291CS..PPolyproline II helixtrans-57.9121.9177.6-160.973.5000110.3P98 N342 D345P98-I351 HydrophobicContact CB-CD1 3.74Å; P98-I351 HydrophobicContact CB-CG1 4.24Å; P98-I351 HydrophobicContact CG-CD1 3.62Å; P98-I351 HydrophobicContact CG-CG1 3.95Å; N342-I351 HydrophobicContact CB-CD1 3.95Å; D345-I351 HydrophobicContact CB-CB 4.26Å; D345-I351 HydrophobicContact CB-CD1 3.8Å; D345-I351 PolarHBondContact O-N 3.03Å
352K87.8Confident79.3Confident108 Ų10868.6 Ų68.647%0.4734%0.335SS..PPolyproline II helixtrans-74.6163.8177.4-65.4-170.5-170.1174.30111.3H95 T350 I354H95-K352 VanDerWaalsContact O-CD 3.32Å; H95-K352 WeakPolarHBondContact O-CD 3.38Å; H95-K352 WeakPolarHBondContact O-CG 3.27Å; T350-K352 PolarHBondContact O-N 3.38Å; K352-I354 PolarHBondContact O-N 3.29Å
353Q78.1Confident77.8Confident187 Ų18774.6 Ų74.687%0.87437%0.367SS*.PPolyproline II helixtrans-60.9131.6178.2-168.2176.924.400111.3
354I71.2Confident76Confident40 Ų4078.3 Ų78.321%0.20539%0.386CS..PPolyproline II helixtrans-89.5126.1-173.6-54149.5000109.2P98 K261 W263 K352 I356P98-I354 HydrophobicContact CB-CG1 4.08Å; P98-I354 HydrophobicContact CG-CG1 4.45Å; K261-I354 HydrophobicContact CD-CD1 3.82Å; K261-I354 HydrophobicContact CG-CD1 4.13Å; W263-I354 HydrophobicContact CZ2-CD1 3.54Å; W263-I354 HydrophobicContact CZ2-CG1 3.86Å; K352-I354 PolarHBondContact O-N 3.29Å; I354-I356 HydrophobicContact CG2-CG1 3.92Å
355K68Low74.3Confident167 Ų16784 Ų8473%0.72641%0.411SS*.  trans-96102.7160.7-72.4-174.9-179.4179.60108.4Q124 Q357Q124-K355 PolarHBondContact NE2-O 2.96Å; Q124-K355 VanDerWaalsContact NE2-O 3.11Å; K355-Q357 PolarHBondContact O-N 3.15Å
356I63.4Low72.7Confident88 Ų8886.2 Ų86.245%0.45143%0.426SS..  trans-70.2123.4173.6-63.7174.3000108.2L260 I354L260-I356 HydrophobicContact CD1-CD1 4.25Å; L260-I356 HydrophobicContact CD1-CG2 3.54Å; I354-I356 HydrophobicContact CG2-CG1 3.92Å
357Q60.8Low71.2Confident94 Ų9487.3 Ų87.344%0.43944%0.436SS..  trans-111.8127.8170.2-67.5-170.9-1600109.4K355K355-Q357 PolarHBondContact O-N 3.15Å
358S57.1Low69.8Low85 Ų8595.6 Ų95.659%0.59447%0.472SS*.  trans-79.8131.9172.6162.90000110.3Y360S358-Y360 VanDerWaalsContact C-N 3.33Å; S358-Y360 PolarHBondContact OG-N 3.17Å; S358-Y360 VanDerWaalsContact OG-N 3.16Å; S358-Y360 PolarHBondContact OG-O 3.12Å
359Y58.6Low68.5Low32 Ų3296.3 Ų96.313%0.12548%0.477CS..SBendtrans-80.2-16.7170.5-83.4-76.4000115.1C123 Q124 T125 L126C123-Y359 WeakPolarHBondContact O-CE2 3.48Å; C123-Y359 PolarHBondContact O-OH 3.16Å; Q124-Y359 WeakPolarHBondContact CA-OH 3.21Å; T125-Y359 PolarHBondContact N-OH 3.31Å; L126-Y359 HydrophobicContact CG-CE1 4.47Å
360Y58.6Low67.6Low25 Ų2592.4 Ų92.410%0.09846%0.464CS..SBendtrans-84.4138.8177.6-57.5-85.6000108.4K253 S358 N364K253-Y360 HydrophobicContact CG-CE1 4.21Å; S358-Y360 VanDerWaalsContact C-N 3.33Å; S358-Y360 PolarHBondContact OG-N 3.17Å; S358-Y360 VanDerWaalsContact OG-N 3.16Å; S358-Y360 PolarHBondContact OG-O 3.12Å; Y360-N364 WeakPolarHBondContact CD1-O 3.44Å
361N59.3Low66.6Low62 Ų6296.9 Ų96.933%0.33248%0.479SS..  trans-61.2173.6167.465.515.4000110.5N363 N364 K365N361-N363 PolarHBondContact O-N 3.14Å; N361-N363 WeakPolarHBondContact OD1-CA 3.33Å; N361-N363 WeakPolarHBondContact OD1-CB 3.1Å; N361-N363 PolarHBondContact OD1-N 3.39Å; N361-N363 VanDerWaalsContact OD1-N 3.08Å; N361-N364 PolarHBondContact O-N 3.4Å; N361-N364 PolarHBondContact OD1-N 3.08Å; N361-K365 PolarHBondContact N-O 2.7Å; N361-K365 PolarHBondContact OD1-N 3.06Å; N361-K365 PolarHBondContact OD1-O 2.87Å
362N60Low65.8Low171 Ų171100.2 Ų100.291%0.91450%0.497SS*.THydrogen-bonded Turntrans-54.6-14.6179.5-61.7-7.7000114.3
363N63.5Low65.1Low126 Ų12698 Ų9867%0.67449%0.489SS*.THydrogen-bonded Turntrans-102.514177.8-64.5-22.7000113.8N361 K365N361-N363 PolarHBondContact O-N 3.14Å; N361-N363 WeakPolarHBondContact OD1-CA 3.33Å; N361-N363 WeakPolarHBondContact OD1-CB 3.1Å; N361-N363 PolarHBondContact OD1-N 3.39Å; N361-N363 VanDerWaalsContact OD1-N 3.08Å; N363-K365 PolarHBondContact O-N 2.91Å; N363-K365 VanDerWaalsContact O-N 3.17Å
364N59.1Low64.8Low78 Ų7890 Ų9042%0.41745%0.451SS..SBendtrans57.127.9-177.5-70.9-16.1000114.8Y360 N361Y360-N364 WeakPolarHBondContact CD1-O 3.44Å; N361-N364 PolarHBondContact O-N 3.4Å; N361-N364 PolarHBondContact OD1-N 3.08Å
365K60.1Low64.8Low132 Ų13294.7 Ų94.757%0.57447%0.472SS*.  trans-103.2136.5177.2-67.9-176.8-178.3176.70110.8N361 N363N361-K365 PolarHBondContact N-O 2.7Å; N361-K365 PolarHBondContact OD1-N 3.06Å; N361-K365 PolarHBondContact OD1-O 2.87Å; N363-K365 PolarHBondContact O-N 2.91Å; N363-K365 VanDerWaalsContact O-N 3.17Å
366C60.4Low64.9Low55 Ų5590.5 Ų90.537%0.37247%0.469SS..  trans-64.2134167.2-170.70000108.8K368C366-K368 PolarHBondContact O-N 2.88Å; C366-K368 VanDerWaalsContact O-N 3.14Å
367I63.8Low65.1Low98 Ų9888.8 Ų88.850%0.50346%0.457SS..  trans-69.2111.5175.4-56.6173.4000107.1T165T165-I367 HydrophobicContact CG2-CB 4.34Å
368K65.1Low65.4Low184 Ų18487 Ų8780%0.846%0.464SS*.PPolyproline II helixtrans-76.3142.3170.3-73.6-172.4178-1760108.5C366C366-K368 PolarHBondContact O-N 2.88Å; C366-K368 VanDerWaalsContact O-N 3.14Å
369P65.9Low65.8Low23 Ų2383.3 Ų83.315%0.14944%0.438CS..PPolyproline II helixtrans-67.2144.1176.629-36000112.2V166 F200 E373 L374V166-P369 HydrophobicContact CB-CB 3.69Å; V166-P369 HydrophobicContact CB-CG 4.38Å; V166-P369 HydrophobicContact CG1-CB 4.45Å; V166-P369 HydrophobicContact CG2-CB 3.22Å; V166-P369 HydrophobicContact CG2-CG 3.43Å; V166-P369 VanDerWaalsContact CG2-CG 3.43Å; F200-P369 HydrophobicContact CB-CG 4.24Å; F200-P369 HydrophobicContact CD1-CG 3.67Å; F200-P369 HydrophobicContact CE1-CG 4.15Å; F200-P369 HydrophobicContact CG-CG 3.93Å; P369-E373 WeakPolarHBondContact CA-OE2 3.43Å; P369-E373 HydrophobicContact CB-CB 4.25Å; P369-L374 HydrophobicContact CB-CD2 3.99Å; P369-L374 HydrophobicContact CB-CG 4.11Å; P369-L374 HydrophobicContact CG-CD2 3.69Å; P369-L374 HydrophobicContact CG-CG 4.12Å
370N72.9Confident66.2Low82 Ų8285.4 Ų85.444%0.43945%0.451SS..PPolyproline II helixtrans-80.3171.7167.77137.9000110.7D372 E373 L374N370-D372 VanDerWaalsContact C-N 3.33Å; N370-D372 PolarHBondContact O-N 3.23Å; N370-D372 PolarHBondContact OD1-N 3.03Å; N370-D372 VanDerWaalsContact OD1-N 3.1Å; N370-E373 PolarHBondContact N-OE2 3.46Å; N370-E373 PolarHBondContact O-N 2.92Å; N370-E373 WeakPolarHBondContact OD1-CG 3.31Å; N370-E373 PolarHBondContact OD1-N 3.13Å; N370-L374 WeakPolarHBondContact O-CG 3Å; N370-L374 PolarHBondContact O-N 3.33Å; N370-L374 VanDerWaalsContact O-N 3.11Å
371K72.9Confident66.4Low150 Ų15088 Ų8865%0.65247%0.471SS*.Hα-helixtrans-62.7-37.9-177.1-171.9-177.7176.9-174.40112.6L374 Q375K371-L374 PolarHBondContact O-N 2.85Å; K371-Q375 WeakPolarHBondContact O-CB 3.32Å; K371-Q375 PolarHBondContact O-N 3.44Å
372D75.1Confident66.7Low117 Ų11791.6 Ų91.663%0.62649%0.49SS*.Hα-helixtrans-69.7-39.6-177.7-57.7-26.5000111.3N370 Q375 A376N370-D372 VanDerWaalsContact C-N 3.33Å; N370-D372 PolarHBondContact O-N 3.23Å; N370-D372 PolarHBondContact OD1-N 3.03Å; N370-D372 VanDerWaalsContact OD1-N 3.1Å; D372-Q375 PolarHBondContact O-N 3.1Å; D372-A376 WeakPolarHBondContact O-CB 3.11Å; D372-A376 PolarHBondContact O-N 2.86Å
373E72.6Confident66.7Low63 Ų6385.5 Ų85.529%0.29446%0.458SS..Hα-helixtrans-57.7-56.9169.9-73.2174.913900109V166 P369 N370 Q375 A376 Y377V166-E373 HydrophobicContact CG1-CB 3.93Å; P369-E373 WeakPolarHBondContact CA-OE2 3.43Å; P369-E373 HydrophobicContact CB-CB 4.25Å; N370-E373 PolarHBondContact N-OE2 3.46Å; N370-E373 PolarHBondContact O-N 2.92Å; N370-E373 WeakPolarHBondContact OD1-CG 3.31Å; N370-E373 PolarHBondContact OD1-N 3.13Å; E373-Q375 VanDerWaalsContact C-N 3.26Å; E373-Q375 PolarHBondContact O-N 2.87Å; E373-Q375 VanDerWaalsContact O-N 3.17Å; E373-A376 WeakPolarHBondContact O-CB 3.23Å; E373-A376 PolarHBondContact O-N 2.94Å; E373-Y377 WeakPolarHBondContact O-CD2 3.1Å; E373-Y377 PolarHBondContact O-N 3.24Å
374L71.6Confident66Low18 Ų1886.6 Ų86.69%0.09446%0.463CS..Hα-helixtrans-50.8-45.2178.4-68.2177.8000112.7V166 F200 P369 N370 K371 A376 Y377 G378 V379 P381V166-L374 HydrophobicContact CG2-CD2 4.12Å; F200-L374 HydrophobicContact CB-CD2 3.71Å; F200-L374 HydrophobicContact CG-CD2 4.33Å; P369-L374 HydrophobicContact CB-CD2 3.99Å; P369-L374 HydrophobicContact CB-CG 4.11Å; P369-L374 HydrophobicContact CG-CD2 3.69Å; P369-L374 HydrophobicContact CG-CG 4.12Å; N370-L374 WeakPolarHBondContact O-CG 3Å; N370-L374 PolarHBondContact O-N 3.33Å; N370-L374 VanDerWaalsContact O-N 3.11Å; K371-L374 PolarHBondContact O-N 2.85Å; L374-A376 PolarHBondContact O-N 3.09Å; L374-Y377 CarbonylContact O-C 3.54Å; L374-Y377 PolarHBondContact O-N 3.48Å; L374-G378 PolarHBondContact O-N 3.17Å; L374-V379 HydrophobicContact CB-CB 3.96Å; L374-V379 HydrophobicContact CB-CG1 4.27Å; L374-V379 HydrophobicContact CD2-CB 4.04Å; L374-V379 HydrophobicContact CD2-CG1 3.81Å; L374-V379 HydrophobicContact CD2-CG2 4.36Å; L374-V379 HydrophobicContact CG-CG1 4.46Å; L374-V379 VanDerWaalsContact O-CB 3.31Å; L374-V379 WeakPolarHBondContact O-CB 3.5Å; L374-V379 PolarHBondContact O-N 3.28Å; L374-P381 HydrophobicContact CD1-CB 4.48Å; L374-P381 HydrophobicContact CD1-CG 3.97Å
375Q72.8Confident65.5Low138 Ų13885.4 Ų85.465%0.64546%0.457SS*.Hα-helixtrans-63.7-39.9177.7-172.1174.51.700113K371 D372 E373 Y377 G378K371-Q375 WeakPolarHBondContact O-CB 3.32Å; K371-Q375 PolarHBondContact O-N 3.44Å; D372-Q375 PolarHBondContact O-N 3.1Å; E373-Q375 VanDerWaalsContact C-N 3.26Å; E373-Q375 PolarHBondContact O-N 2.87Å; E373-Q375 VanDerWaalsContact O-N 3.17Å; Q375-Y377 PolarHBondContact O-N 3.16Å; Q375-G378 PolarHBondContact O-N 3.49Å
376A69.4Low64.7Low80 Ų8082.7 Ų82.766%0.66145%0.454SS*.Hα-helixtrans-61-25.2176.100000113.1D372 E373 L374D372-A376 WeakPolarHBondContact O-CB 3.11Å; D372-A376 PolarHBondContact O-N 2.86Å; E373-A376 WeakPolarHBondContact O-CB 3.23Å; E373-A376 PolarHBondContact O-N 2.94Å; L374-A376 PolarHBondContact O-N 3.09Å
377Y67Low63.7Low52 Ų5288.1 Ų88.120%0.20448%0.475CS..THydrogen-bonded Turntrans-98.99.3174.2-62.1-95.9000113.2V166 C169 P171 E373 L374 Q375 V379V166-Y377 HydrophobicContact CG1-CD2 3.19Å; V166-Y377 HydrophobicContact CG1-CE1 4.47Å; V166-Y377 HydrophobicContact CG1-CE2 3.08Å; V166-Y377 HydrophobicContact CG1-CG 4.07Å; V166-Y377 PolarHBondContact O-OH 3.22Å; C169-Y377 VanDerWaalsContact C-CE1 3.49Å; C169-Y377 HydrophobicContact CB-CD1 4.34Å; C169-Y377 HydrophobicContact CB-CE1 4.22Å; C169-Y377 VanDerWaalsContact O-CD1 3.23Å; C169-Y377 WeakPolarHBondContact O-CD1 3.41Å; C169-Y377 WeakPolarHBondContact O-CE1 3.42Å; P171-Y377 VanDerWaalsContact CD-CE1 3.49Å; P171-Y377 HydrophobicContact CG-CD1 3.6Å; P171-Y377 HydrophobicContact CG-CE1 3.92Å; E373-Y377 WeakPolarHBondContact O-CD2 3.1Å; E373-Y377 PolarHBondContact O-N 3.24Å; L374-Y377 CarbonylContact O-C 3.54Å; L374-Y377 PolarHBondContact O-N 3.48Å; Q375-Y377 PolarHBondContact O-N 3.16Å; Y377-V379 VanDerWaalsContact C-N 3.31Å; Y377-V379 PolarHBondContact O-N 3.21Å
378G67.2Low62.7Low56 Ų5686.8 Ų86.858%0.57747%0.468SS*.THydrogen-bonded Turntrans69.325.7179.600000114.2L374 Q375L374-G378 PolarHBondContact O-N 3.17Å; Q375-G378 PolarHBondContact O-N 3.49Å
379V66.6Low61.5Low8 Ų882 Ų825%0.04846%0.458CS..  trans-93.5120.2-179179.80000110.5I204 L374 Y377 P381I204-V379 HydrophobicContact CB-CG2 4.24Å; I204-V379 HydrophobicContact CG1-CG2 3.38Å; L374-V379 HydrophobicContact CB-CB 3.96Å; L374-V379 HydrophobicContact CB-CG1 4.27Å; L374-V379 HydrophobicContact CD2-CB 4.04Å; L374-V379 HydrophobicContact CD2-CG1 3.81Å; L374-V379 HydrophobicContact CD2-CG2 4.36Å; L374-V379 HydrophobicContact CG-CG1 4.46Å; L374-V379 VanDerWaalsContact O-CB 3.31Å; L374-V379 WeakPolarHBondContact O-CB 3.5Å; L374-V379 PolarHBondContact O-N 3.28Å; Y377-V379 VanDerWaalsContact C-N 3.31Å; Y377-V379 PolarHBondContact O-N 3.21Å; V379-P381 WeakPolarHBondContact O-CD 3.39Å
380D67.1Low59.9Low76 Ų7684.3 Ų84.341%0.40649%0.485SS..  trans-84.3121.1165.5-169.1-20.4000109.8N382 D383D380-N382 PolarHBondContact O-N 2.98Å; D380-N382 VanDerWaalsContact O-N 3.16Å; D380-N382 WeakPolarHBondContact OD1-CB 3.48Å; D380-N382 PolarHBondContact OD1-N 2.93Å; D380-N382 PolarHBondContact OD1-ND2 2.94Å; D380-N382 VanDerWaalsContact OD1-ND2 3.1Å; D380-D383 PolarHBondContact O-N 3.17Å
381P62.2Low58.2Low78 Ų7883 Ų8351%0.50649%0.49SS..THydrogen-bonded Turntrans-60-18.8174.6-20.531.4000114.7L374 V379L374-P381 HydrophobicContact CD1-CB 4.48Å; L374-P381 HydrophobicContact CD1-CG 3.97Å; V379-P381 WeakPolarHBondContact O-CD 3.39Å
382N66.1Low56.2Low138 Ų13881 Ų8174%0.73850%0.496SS*.THydrogen-bonded Turntrans-99-0.8-173.7-54.6-62.5000114.4D380 N384D380-N382 PolarHBondContact O-N 2.98Å; D380-N382 VanDerWaalsContact O-N 3.16Å; D380-N382 WeakPolarHBondContact OD1-CB 3.48Å; D380-N382 PolarHBondContact OD1-N 2.93Å; D380-N382 PolarHBondContact OD1-ND2 2.94Å; D380-N382 VanDerWaalsContact OD1-ND2 3.1Å; N382-N384 PolarHBondContact O-N 3.38Å; N382-N384 VanDerWaalsContact O-N 3.13Å
383D60.4Low54Low44 Ų4484.3 Ų84.324%0.23551%0.507CS..  trans-55.9120.5178.2-94.1-23.4000110.3K206 D380 L385K206-D383 WeakPolarHBondContact CD-OD2 3.45Å; K206-D383 IonicContact NZ-OD1 3.95Å; K206-D383 PolarHBondContact NZ-OD1 3.16Å; K206-D383 IonicContact NZ-OD2 3.28Å; K206-D383 PolarHBondContact NZ-OD2 3.31Å; D380-D383 PolarHBondContact O-N 3.17Å; D383-L385 VanDerWaalsContact O-CD2 3.27Å; D383-L385 WeakPolarHBondContact O-CD2 3.39Å; D383-L385 VanDerWaalsContact O-CG 3.23Å; D383-L385 WeakPolarHBondContact O-CG 3.49Å
384N47.5Very low52.1Low148 Ų14892.6 Ų92.679%0.79155%0.554SS**  trans-79.1125.1-177.7-157.5-13.3000110.7N382N382-N384 PolarHBondContact O-N 3.38Å; N382-N384 VanDerWaalsContact O-N 3.13Å
385L49Very low51.1Low54 Ų5496.3 Ų96.328%0.28358%0.577SS.*THydrogen-bonded Turntrans-99.415.2-150.8-60.4175000115.6T199 H202 D383T199-L385 HydrophobicContact CG2-CD1 4.05Å; H202-L385 HydrophobicContact CB-CD2 3.42Å; H202-L385 VanDerWaalsContact CB-CD2 3.42Å; D383-L385 VanDerWaalsContact O-CD2 3.27Å; D383-L385 WeakPolarHBondContact O-CD2 3.39Å; D383-L385 VanDerWaalsContact O-CG 3.23Å; D383-L385 WeakPolarHBondContact O-CG 3.49Å
386S42.8Very low50Low74 Ų7494.1 Ų94.152%0.51757%0.573SS.*THydrogen-bonded Turntrans-86.6-20.9-176520000114.8I388 S389S386-I388 PolarHBondContact O-N 3.33Å; S386-S389 PolarHBondContact O-OG 2.83Å
387E40.3Very low48.9Very low170 Ų17094.9 Ų94.979%0.79457%0.568SS**G310 helixtrans-84-10.2-169.3-67.6-173.5167.100115.4S389 G390E387-S389 VanDerWaalsContact C-N 3.29Å; E387-S389 PolarHBondContact O-N 3.11Å; E387-G390 PolarHBondContact O-N 3.46Å
388I42.7Very low47.8Very low70 Ų7097.4 Ų97.436%0.35959%0.59SS.*G310 helixtrans-82.7-4.9-175.4-55.2177.6000112.6S386 G390S386-I388 PolarHBondContact O-N 3.33Å; I388-G390 VanDerWaalsContact C-N 3.27Å; I388-G390 PolarHBondContact O-N 3.43Å
389S40.3Very low46.6Very low84 Ų84100 Ų10059%0.58759%0.59SS**G310 helixtrans-79.8-1.8168.741.50000114.4S386 E387 G391S386-S389 PolarHBondContact O-OG 2.83Å; E387-S389 VanDerWaalsContact C-N 3.29Å; E387-S389 PolarHBondContact O-N 3.11Å; S389-G391 VanDerWaalsContact C-N 3.27Å; S389-G391 PolarHBondContact O-N 3.1Å
390G31.8Very low45.3Very low70 Ų70106.1 Ų106.172%0.72263%0.627SS**  trans-79.834.3-17300000117.3E387 I388 S392E387-G390 PolarHBondContact O-N 3.46Å; I388-G390 VanDerWaalsContact C-N 3.27Å; I388-G390 PolarHBondContact O-N 3.43Å; G390-S392 PolarHBondContact O-N 3.23Å
391G36.3Very low43.7Very low54 Ų54108.3 Ų108.356%0.55764%0.642SS**SBendtrans-84.290.8164.500000108.8S389S389-G391 VanDerWaalsContact C-N 3.27Å; S389-G391 PolarHBondContact O-N 3.1Å
392S31.1Very low42.3Very low110 Ų110110.6 Ų110.677%0.76965%0.653SS**  trans-19.3122.1-177.354.10000116.3G390 D394G390-S392 PolarHBondContact O-N 3.23Å; S392-D394 PolarHBondContact O-N 3.35Å
393E28.8Very low40.3Very low185 Ų185108.3 Ų108.386%0.86465%0.646SS**  trans-48.6114148.5-64.8168.4158.900108.6
394D32.7Very low38.5Very low237 Ų237114.2 Ų114.2100%1.26768%0.683SS**  trans-179.90134-82-21.3000108.8S392S392-D394 PolarHBondContact O-N 3.35Å

Retrieved 394 of 394 residues in 161.4 ms (Link to these results)

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