G4VR95_SCHMA Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession G4VR95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 621 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
1M25.8Very low51.5Low230 Ų230113 Ų113100%1.13361%0.613SS**  0133.90-67.6-54.5-170.100108.5
2P31.6Very low54Low119 Ų119117.1 Ų117.177%0.77363%0.634SS**  trans-61.1153.4155.6-14.230.3000109.6
3D32.3Very low56.7Low82 Ų82112.5 Ų112.544%0.43961%0.612SS.*  trans-74.9128.3177.6-163.9-41.7000110.1R5 G6D3-R5 PolarHBondContact O-N 2.8Å; D3-R5 VanDerWaalsContact OD1-CB 3.24Å; D3-R5 WeakPolarHBondContact OD1-CB 3.36Å; D3-R5 WeakPolarHBondContact OD1-CG 3.29Å; D3-R5 IonicContact OD1-CZ 3.79Å; D3-R5 PolarHBondContact OD1-N 2.87Å; D3-R5 IonicContact OD1-NE 3.68Å; D3-R5 PolarHBondContact OD1-NE 3.18Å; D3-R5 IonicContact OD1-NH2 2.78Å; D3-R5 IonicContact OD2-CZ 3.1Å; D3-R5 IonicContact OD2-NE 2.74Å; D3-R5 PolarHBondContact OD2-NE 2.82Å; D3-R5 IonicContact OD2-NH2 3.32Å; D3-R5 PolarHBondContact OD2-NH2 3.23Å; D3-G6 PolarHBondContact O-N 3.3Å
4P37.4Very low59.2Low127 Ų127108.9 Ų108.983%0.82559%0.592SS**THydrogen-bonded Turntrans-62.5-7.2173.426.7-35.4000113.8
5R40Very low61.6Low170 Ų170101.6 Ų101.664%0.64255%0.552SS**THydrogen-bonded Turntrans-98.327.5175.1-54.2167.2-66.1175.85.3113.2D3 T7 Q8D3-R5 PolarHBondContact O-N 2.8Å; D3-R5 VanDerWaalsContact OD1-CB 3.24Å; D3-R5 WeakPolarHBondContact OD1-CB 3.36Å; D3-R5 WeakPolarHBondContact OD1-CG 3.29Å; D3-R5 IonicContact OD1-CZ 3.79Å; D3-R5 PolarHBondContact OD1-N 2.87Å; D3-R5 IonicContact OD1-NE 3.68Å; D3-R5 PolarHBondContact OD1-NE 3.18Å; D3-R5 IonicContact OD1-NH2 2.78Å; D3-R5 IonicContact OD2-CZ 3.1Å; D3-R5 IonicContact OD2-NE 2.74Å; D3-R5 PolarHBondContact OD2-NE 2.82Å; D3-R5 IonicContact OD2-NH2 3.32Å; D3-R5 PolarHBondContact OD2-NH2 3.23Å; R5-T7 PolarHBondContact O-N 2.74Å; R5-Q8 PolarHBondContact O-N 2.96Å
6G40.6Very low63.6Low51 Ų5199.9 Ų99.953%0.52654%0.54SS..THydrogen-bonded Turntrans-58.1-2.2174.300000115.7D3 Q8D3-G6 PolarHBondContact O-N 3.3Å; G6-Q8 VanDerWaalsContact C-N 3.34Å; G6-Q8 PolarHBondContact O-N 2.73Å
7T52.5Low65.5Low71 Ų7199.2 Ų99.244%0.43654%0.54SS..THydrogen-bonded Turntrans-74.7-7.7177.3-11.10000115.1R5 S70R5-T7 PolarHBondContact O-N 2.74Å; T7-S70 WeakPolarHBondContact CG2-OG 3.13Å
8Q62.4Low67.2Low150 Ų15096.2 Ų96.270%0.70152%0.522SS*.  trans-80.7126-175.8-78-169.3-25.500113.7R5 G6 K10R5-Q8 PolarHBondContact O-N 2.96Å; G6-Q8 VanDerWaalsContact C-N 3.34Å; G6-Q8 PolarHBondContact O-N 2.73Å; Q8-K10 PolarHBondContact O-N 3.17Å
9L79.5Confident68.8Low80 Ų8091.7 Ų91.742%0.41950%0.497SS..  trans-57.6122.9163.2175.862.9000110.1V11 L85 L90L9-V11 HydrophobicContact CD2-CG2 4.21Å; L9-V11 HydrophobicContact CG-CG2 4.09Å; L9-V11 PolarHBondContact O-N 3.45Å; L9-L85 HydrophobicContact CD1-CB 4.19Å; L9-L85 HydrophobicContact CD2-CB 4.44Å; L9-L85 HydrophobicContact CG-CB 4.45Å; L9-L90 HydrophobicContact CD1-CD1 3.49Å; L9-L90 VanDerWaalsContact CD1-CD1 3.49Å
10K85Confident70.2Confident82 Ų8289.3 Ų89.336%0.35748%0.484SS..BIsolated β-bridgetrans-9196.5-179.8-66.6161.7-177.9166.60110.2Q8 V13 S83 Y84 L85Q8-K10 PolarHBondContact O-N 3.17Å; K10-V13 HydrophobicContact CB-CB 4.22Å; K10-V13 HydrophobicContact CB-CG2 4.3Å; K10-S83 PolarHBondContact N-O 3.28Å; K10-Y84 HydrophobicContact CB-CD1 3.75Å; K10-Y84 HydrophobicContact CB-CE1 4.19Å; K10-Y84 HydrophobicContact CB-CG 4.36Å; K10-Y84 HydrophobicContact CD-CD1 3.67Å; K10-Y84 HydrophobicContact CD-CE1 3.21Å; K10-Y84 HydrophobicContact CD-CG 4.49Å; K10-Y84 HydrophobicContact CG-CD1 4.38Å; K10-Y84 HydrophobicContact CG-CE1 4.35Å; K10-Y84 PolarHBondContact NZ-OH 3.34Å; K10-Y84 WeakPolarHBondContact O-CA 3.32Å; K10-L85 PolarHBondContact O-N 3.26Å
11V80Confident71.5Confident81 Ų8188.1 Ų88.149%0.49148%0.477SS..SBendtrans-80.9-33.7179.8-176.40000112.4L9 V13 L85L9-V11 HydrophobicContact CD2-CG2 4.21Å; L9-V11 HydrophobicContact CG-CG2 4.09Å; L9-V11 PolarHBondContact O-N 3.45Å; V11-V13 PolarHBondContact O-N 2.78Å; V11-L85 HydrophobicContact CG1-CD2 4.3Å; V11-L85 HydrophobicContact CG2-CB 4.34Å; V11-L85 HydrophobicContact CG2-CD2 4.37Å
12N81.6Confident74.8Confident162 Ų16281 Ų8187%0.86644%0.443SS*.SBendtrans-97.428.9-173.9-61.6-6.1000113.1
13V88.3Confident77.8Confident57 Ų5779.7 Ų79.735%0.34543%0.426SS..SBendtrans-141.7108.3-174.6-1780000109.4K10 V11 P15 I18 Y84K10-V13 HydrophobicContact CB-CB 4.22Å; K10-V13 HydrophobicContact CB-CG2 4.3Å; V11-V13 PolarHBondContact O-N 2.78Å; V13-P15 VanDerWaalsContact O-CD 3.27Å; V13-P15 WeakPolarHBondContact O-CD 3.44Å; V13-I18 HydrophobicContact CG1-CD1 3.62Å; V13-Y84 HydrophobicContact CB-CD1 4.44Å; V13-Y84 HydrophobicContact CG1-CD1 4.34Å; V13-Y84 HydrophobicContact CG1-CE1 4.3Å
14N92Very high80.8Confident62 Ų6282.2 Ų82.233%0.33243%0.43SS..  trans-64.6115.6175.7179.3-3000109.8E16 T17N14-E16 PolarHBondContact ND2-OE2 2.87Å; N14-E16 PolarHBondContact O-N 2.93Å; N14-E16 WeakPolarHBondContact OD1-CB 3.13Å; N14-E16 WeakPolarHBondContact OD1-CG 3.17Å; N14-E16 PolarHBondContact OD1-N 2.82Å; N14-E16 PolarHBondContact OD1-OE2 2.69Å; N14-T17 HydrophobicContact CB-CG2 4.19Å; N14-T17 PolarHBondContact O-N 3.14Å; N14-T17 VanDerWaalsContact O-N 3.13Å; N14-T17 PolarHBondContact O-OG1 2.84Å
15P94.7Very high83.4Confident0 Ų079.5 Ų79.50%041%0.408CS..G310 helixtrans-62.6-26.3-179.126.4-35000113.5V13 T17 I18 Y19 Y84 K86 W91V13-P15 VanDerWaalsContact O-CD 3.27Å; V13-P15 WeakPolarHBondContact O-CD 3.44Å; P15-T17 PolarHBondContact O-N 3.26Å; P15-T17 VanDerWaalsContact O-N 3.14Å; P15-I18 CarbonylContact O-C 3.56Å; P15-I18 WeakPolarHBondContact O-CA 3.33Å; P15-I18 PolarHBondContact O-N 2.9Å; P15-Y19 HydrophobicContact CB-CD2 4.32Å; P15-Y19 PolarHBondContact O-N 3.22Å; P15-Y84 HydrophobicContact CB-CD1 4.17Å; P15-Y84 HydrophobicContact CB-CD2 4.34Å; P15-Y84 HydrophobicContact CB-CG 3.89Å; P15-K86 HydrophobicContact CG-CB 4.3Å; P15-W91 HydrophobicContact CB-CD2 3.77Å; P15-W91 HydrophobicContact CB-CE3 3.51Å; P15-W91 HydrophobicContact CB-CG 4.35Å; P15-W91 HydrophobicContact CB-CH2 4.27Å; P15-W91 HydrophobicContact CB-CZ3 3.79Å; P15-W91 HydrophobicContact CG-CD2 3.37Å; P15-W91 VanDerWaalsContact CG-CE2 3.44Å; P15-W91 HydrophobicContact CG-CE3 3.65Å; P15-W91 HydrophobicContact CG-CG 3.82Å; P15-W91 HydrophobicContact CG-CH2 4.03Å; P15-W91 HydrophobicContact CG-CZ2 3.79Å; P15-W91 HydrophobicContact CG-CZ3 3.97Å
16E94.6Very high85.5Confident75 Ų7572.9 Ų72.935%0.3539%0.392SS..G310 helixtrans-65.5-15.1177-59.1163.815400113N14 I18 R39 K86 W91N14-E16 PolarHBondContact ND2-OE2 2.87Å; N14-E16 PolarHBondContact O-N 2.93Å; N14-E16 WeakPolarHBondContact OD1-CB 3.13Å; N14-E16 WeakPolarHBondContact OD1-CG 3.17Å; N14-E16 PolarHBondContact OD1-N 2.82Å; N14-E16 PolarHBondContact OD1-OE2 2.69Å; E16-I18 VanDerWaalsContact C-N 3.3Å; E16-R39 PolarHBondContact O-NH1 3.38Å; E16-K86 IonicContact OE1-NZ 3.89Å; E16-K86 PolarHBondContact OE1-NZ 2.84Å; E16-K86 IonicContact OE2-NZ 2.65Å; E16-K86 PolarHBondContact OE2-NZ 3.13Å; E16-W91 HydrophobicContact CG-CH2 3.7Å; E16-W91 HydrophobicContact CG-CZ2 3.9Å
17T95.4Very high87.5Confident88 Ų8876.8 Ų76.854%0.5439%0.391SS..G310 helixtrans-79.3-17.517166.30000112.4N14 P15N14-T17 HydrophobicContact CB-CG2 4.19Å; N14-T17 PolarHBondContact O-N 3.14Å; N14-T17 VanDerWaalsContact O-N 3.13Å; N14-T17 PolarHBondContact O-OG1 2.84Å; P15-T17 PolarHBondContact O-N 3.26Å; P15-T17 VanDerWaalsContact O-N 3.14Å
18I96.4Very high88.4Confident44 Ų4474 Ų7423%0.22638%0.377CS..THydrogen-bonded Turntrans-110.6-35.7-174.9-56.4172.6000111.4V13 P15 E16 R39 Y84V13-I18 HydrophobicContact CG1-CD1 3.62Å; P15-I18 CarbonylContact O-C 3.56Å; P15-I18 WeakPolarHBondContact O-CA 3.33Å; P15-I18 PolarHBondContact O-N 2.9Å; E16-I18 VanDerWaalsContact C-N 3.3Å; I18-R39 VanDerWaalsContact O-CB 3.29Å; I18-R39 WeakPolarHBondContact O-CB 3.41Å; I18-R39 WeakPolarHBondContact O-CG 3.31Å; I18-R39 PolarHBondContact O-N 3.4Å; I18-Y84 HydrophobicContact CD1-CE1 3.7Å
19Y97.4Very high88.7Confident11 Ų1170.6 Ų70.64%0.04337%0.369CS..EExtended strand (participates in β ladder)trans-123.8137.5-176-53.6-77.9000111.9P15 V37 D38 V45 I47 Y84 V93P15-Y19 HydrophobicContact CB-CD2 4.32Å; P15-Y19 PolarHBondContact O-N 3.22Å; Y19-V37 VanDerWaalsContact CA-O 3.31Å; Y19-V37 WeakPolarHBondContact CA-O 3.27Å; Y19-D38 HydrophobicContact CD1-CB 4.02Å; Y19-D38 HydrophobicContact CE1-CB 3.85Å; Y19-V45 HydrophobicContact CD1-CG2 3.93Å; Y19-V45 HydrophobicContact CE1-CG2 4.35Å; Y19-I47 HydrophobicContact CG-CD1 4.31Å; Y19-Y84 HydrophobicContact CE2-CD2 4.37Å; Y19-Y84 HydrophobicContact CE2-CE1 4.44Å; Y19-Y84 AromaticContact CE2-CE2 3.6Å; Y19-Y84 HydrophobicContact CE2-CE2 3.6Å; Y19-Y84 AromaticContact CE2-CZ 3.64Å; Y19-Y84 PolarHBondContact OH-OH 3.03Å; Y19-V93 HydrophobicContact CD1-CG1 4.46Å; Y19-V93 HydrophobicContact CD2-CG2 4.24Å; Y19-V93 HydrophobicContact CE1-CG1 3.93Å; Y19-V93 HydrophobicContact CE2-CG2 3.88Å
20D97.2Very high88.4Confident43 Ų4368.8 Ų68.823%0.2336%0.358CS..EExtended strand (participates in β ladder)trans-85.2128161-61.8-49.4000108.4G36 V37 R39 R42D20-G36 CarbonylContact O-C 3.55Å; D20-G36 WeakPolarHBondContact O-CA 3.42Å; D20-V37 PolarHBondContact N-O 2.88Å; D20-V37 PolarHBondContact O-N 3.07Å; D20-R39 IonicContact OD1-CZ 2.86Å; D20-R39 IonicContact OD1-NE 3.38Å; D20-R39 PolarHBondContact OD1-NE 2.69Å; D20-R39 IonicContact OD1-NH2 2.72Å; D20-R39 PolarHBondContact OD1-NH2 3.3Å; D20-R39 IonicContact OD2-NE 3.65Å; D20-R42 IonicContact OD2-NH1 3.23Å; D20-R42 PolarHBondContact OD2-NH1 3.36Å
21I96.1Very high88.3Confident66 Ų6665.7 Ų65.734%0.33835%0.35SS..EExtended strand (participates in β ladder)trans-81.9141.5165.4-76.7176.9000108.9Y34 I47 L49 W91I21-Y34 HydrophobicContact CG2-CD1 3.73Å; I21-Y34 HydrophobicContact CG2-CE1 4.42Å; I21-Y34 HydrophobicContact CG2-CG 4.1Å; I21-I47 HydrophobicContact CG1-CD1 4.17Å; I21-L49 HydrophobicContact CD1-CD1 4.02Å; I21-W91 HydrophobicContact CD1-CH2 3.33Å; I21-W91 HydrophobicContact CD1-CZ2 3.85Å; I21-W91 HydrophobicContact CD1-CZ3 3.74Å; I21-W91 HydrophobicContact CG1-CH2 3.89Å; I21-W91 HydrophobicContact CG1-CZ3 3.96Å
22L96.2Very high88.8Confident80 Ų8064.5 Ų64.542%0.41934%0.339SS..EExtended strand (participates in β ladder)trans-121.5-137.7176-55.8179.1000109.9K35 V37L22-K35 HydrophobicContact CB-CB 4.43Å; L22-K35 HydrophobicContact CD1-CD 4.28Å; L22-K35 HydrophobicContact CD1-CG 4.47Å; L22-K35 PolarHBondContact N-O 2.89Å; L22-V37 HydrophobicContact CD1-CG2 3.79Å
23E94.7Very high89.4Confident92 Ų9257.9 Ų57.943%0.4330%0.304SS..EExtended strand (participates in β ladder)trans-66.6149.7-17967.8-90.4-149.700114I25 Y34 K35E23-I25 HydrophobicContact CG-CG2 3.92Å; E23-Y34 WeakPolarHBondContact O-CA 3.4Å; E23-K35 HydrophobicContact CG-CB 4.42Å; E23-K35 HydrophobicContact CG-CD 4.29Å; E23-K35 PolarHBondContact O-N 2.93Å; E23-K35 WeakPolarHBondContact OE1-CD 3.44Å; E23-K35 WeakPolarHBondContact OE1-CE 3.44Å; E23-K35 IonicContact OE1-NZ 2.69Å; E23-K35 PolarHBondContact OE1-NZ 2.9Å; E23-K35 WeakPolarHBondContact OE2-CD 3.39Å; E23-K35 IonicContact OE2-NZ 3.4Å
24R94.7Very high89.8Confident134 Ų13457.7 Ų57.751%0.50630%0.298SS..EExtended strand (participates in β ladder)trans-67.3132.1163.5-172.417869.5-176.5-1.9108E32 Y34R24-E32 WeakPolarHBondContact CD-OE1 3.4Å; R24-E32 IonicContact CZ-OE1 3.66Å; R24-E32 IonicContact NE-OE1 3.36Å; R24-E32 IonicContact NH1-OE1 2.69Å; R24-E32 PolarHBondContact NH1-OE1 2.64Å; R24-Y34 HydrophobicContact CB-CD1 4.07Å; R24-Y34 HydrophobicContact CB-CE1 3.77Å; R24-Y34 HydrophobicContact CG-CE1 4.38Å
25I91.4Very high90.1Very high71 Ų7156.6 Ų56.636%0.36429%0.29SS..EExtended strand (participates in β ladder)trans-118.2-3.3-178.159.6174000113.7E23 V33 K35 A46 Y96E23-I25 HydrophobicContact CG-CG2 3.92Å; I25-V33 HydrophobicContact CD1-CG1 4.01Å; I25-V33 HydrophobicContact CG1-CB 4.24Å; I25-V33 HydrophobicContact CG1-CG1 3.91Å; I25-V33 VanDerWaalsContact CG1-O 3.29Å; I25-V33 WeakPolarHBondContact CG1-O 2.96Å; I25-V33 PolarHBondContact N-O 3.42Å; I25-K35 HydrophobicContact CD1-CB 4.35Å; I25-K35 HydrophobicContact CG2-CB 3.81Å; I25-A46 HydrophobicContact CD1-CB 4.25Å; I25-Y96 HydrophobicContact CD1-CD2 3.97Å; I25-Y96 HydrophobicContact CD1-CE2 3.72Å
26G85.6Confident90.2Very high31 Ų3156.6 Ų56.632%0.3229%0.29SS..EExtended strand (participates in β ladder)trans168.6-176.7173.200000113.1V33G26-V33 PolarHBondContact N-O 3.41Å; G26-V33 PolarHBondContact O-N 2.87Å
27R81.5Confident90.4Very high133 Ų13353.8 Ų53.850%0.50228%0.278SS..EExtended strand (participates in β ladder)trans-133.4124.2174.7-173177.2-178.7178.82.1109.1E32 F346R27-E32 HydrophobicContact CG-CG 4.41Å; R27-F346 VanDerWaalsContact NH1-CD1 3.26Å
28G71.9Confident90.5Very high13 Ų1350.6 Ų50.613%0.13426%0.257CS..EExtended strand (participates in β ladder)trans-93.5-174.2175.700000112.2F30 G31G28-F30 VanDerWaalsContact C-N 3.29Å; G28-F30 PolarHBondContact O-N 3.22Å; G28-G31 PolarHBondContact N-O 2.85Å
29S67.6Low90.5Very high78 Ų7854.4 Ų54.455%0.54527%0.269SS..THydrogen-bonded Turntrans-57.5-35.8179.449.40000114.6
30F74.2Confident90.4Very high41 Ų4163 Ų6318%0.1831%0.307CS..THydrogen-bonded Turntrans-114.1-0-169.7-52.1-58.4000114G28 I50 E58 D61 I62 E65 V160G28-F30 VanDerWaalsContact C-N 3.29Å; G28-F30 PolarHBondContact O-N 3.22Å; F30-I50 HydrophobicContact CB-CD1 3.8Å; F30-I50 HydrophobicContact CB-CG1 4Å; F30-I50 HydrophobicContact CB-CG2 4.26Å; F30-E58 HydrophobicContact CD1-CB 4.04Å; F30-E58 HydrophobicContact CD1-CG 4Å; F30-E58 HydrophobicContact CE1-CB 3.99Å; F30-E58 HydrophobicContact CE1-CG 3.81Å; F30-D61 HydrophobicContact CZ-CB 4.16Å; F30-I62 HydrophobicContact CB-CD1 4.26Å; F30-I62 HydrophobicContact CB-CG1 4.18Å; F30-I62 HydrophobicContact CD1-CD1 4.3Å; F30-I62 HydrophobicContact CD1-CG1 4.04Å; F30-I62 HydrophobicContact CD2-CG1 3.76Å; F30-I62 HydrophobicContact CE1-CG1 4.37Å; F30-I62 HydrophobicContact CE2-CG1 4.12Å; F30-I62 HydrophobicContact CG-CD1 4.18Å; F30-I62 HydrophobicContact CG-CG1 3.73Å; F30-I62 HydrophobicContact CZ-CG1 4.41Å; F30-E65 WeakPolarHBondContact CE2-OE2 3.43Å; F30-V160 HydrophobicContact CE2-CG2 4.4Å; F30-V160 HydrophobicContact CZ-CG2 4.42Å
31G83.1Confident90.4Very high18 Ų1864.7 Ų64.719%0.18632%0.319CS..EExtended strand (participates in β ladder)trans162.1-167.1-172.400000114G28 L49G28-G31 PolarHBondContact N-O 2.85Å; G31-L49 CarbonylContact C-O 3.42Å; G31-L49 VanDerWaalsContact CA-O 3.32Å; G31-L49 WeakPolarHBondContact CA-O 3.24Å
32E91.2Very high90.4Very high56 Ų5669 Ų6926%0.26233%0.33SS..EExtended strand (participates in β ladder)trans-98.9150.1-173-64.3-169.5117.400112.2R24 R27 Y34 K48 L49R24-E32 WeakPolarHBondContact CD-OE1 3.4Å; R24-E32 IonicContact CZ-OE1 3.66Å; R24-E32 IonicContact NE-OE1 3.36Å; R24-E32 IonicContact NH1-OE1 2.69Å; R24-E32 PolarHBondContact NH1-OE1 2.64Å; R27-E32 HydrophobicContact CG-CG 4.41Å; E32-Y34 HydrophobicContact CB-CD2 4.34Å; E32-Y34 HydrophobicContact CB-CE2 3.75Å; E32-Y34 PolarHBondContact OE2-OH 3.02Å; E32-K48 CarbonylContact O-C 3.13Å; E32-K48 WeakPolarHBondContact O-CA 3.48Å; E32-L49 PolarHBondContact N-O 2.92Å; E32-L49 PolarHBondContact O-N 2.77Å
33V93.7Very high90.4Very high23 Ų2369.1 Ų69.114%0.13933%0.329CS..EExtended strand (participates in β ladder)trans-113121.5176.9-1690000108.8I25 G26 A46 K48I25-V33 HydrophobicContact CD1-CG1 4.01Å; I25-V33 HydrophobicContact CG1-CB 4.24Å; I25-V33 HydrophobicContact CG1-CG1 3.91Å; I25-V33 VanDerWaalsContact CG1-O 3.29Å; I25-V33 WeakPolarHBondContact CG1-O 2.96Å; I25-V33 PolarHBondContact N-O 3.42Å; G26-V33 PolarHBondContact N-O 3.41Å; G26-V33 PolarHBondContact O-N 2.87Å; V33-A46 HydrophobicContact CG1-CB 4.24Å; V33-K48 HydrophobicContact CG2-CB 4.27Å; V33-K48 HydrophobicContact CG2-CG 4.25Å
34Y96.5Very high90.6Very high53 Ų5367.5 Ų67.521%0.20833%0.325CS..EExtended strand (participates in β ladder)trans-107.1151.2175.6-71.8-96000110.7I21 E23 R24 E32 A46 I47 L49I21-Y34 HydrophobicContact CG2-CD1 3.73Å; I21-Y34 HydrophobicContact CG2-CE1 4.42Å; I21-Y34 HydrophobicContact CG2-CG 4.1Å; E23-Y34 WeakPolarHBondContact O-CA 3.4Å; R24-Y34 HydrophobicContact CB-CD1 4.07Å; R24-Y34 HydrophobicContact CB-CE1 3.77Å; R24-Y34 HydrophobicContact CG-CE1 4.38Å; E32-Y34 HydrophobicContact CB-CD2 4.34Å; E32-Y34 HydrophobicContact CB-CE2 3.75Å; E32-Y34 PolarHBondContact OE2-OH 3.02Å; Y34-A46 CarbonylContact O-C 3.56Å; Y34-A46 WeakPolarHBondContact O-CA 3.37Å; Y34-I47 PolarHBondContact N-O 2.57Å; Y34-I47 PolarHBondContact O-N 2.89Å; Y34-L49 HydrophobicContact CD2-CD1 3.7Å; Y34-L49 HydrophobicContact CD2-CG 4.07Å; Y34-L49 HydrophobicContact CE2-CD1 3.78Å; Y34-L49 HydrophobicContact CE2-CG 4.45Å
35K97.3Very high90.7Very high39 Ų3961.1 Ų61.117%0.1730%0.301CS..EExtended strand (participates in β ladder)trans-78.2148.6160.1-169.6-171-169.9-176.60108.6L22 E23 I25 V44 Y96L22-K35 HydrophobicContact CB-CB 4.43Å; L22-K35 HydrophobicContact CD1-CD 4.28Å; L22-K35 HydrophobicContact CD1-CG 4.47Å; L22-K35 PolarHBondContact N-O 2.89Å; E23-K35 HydrophobicContact CG-CB 4.42Å; E23-K35 HydrophobicContact CG-CD 4.29Å; E23-K35 PolarHBondContact O-N 2.93Å; E23-K35 WeakPolarHBondContact OE1-CD 3.44Å; E23-K35 WeakPolarHBondContact OE1-CE 3.44Å; E23-K35 IonicContact OE1-NZ 2.69Å; E23-K35 PolarHBondContact OE1-NZ 2.9Å; E23-K35 WeakPolarHBondContact OE2-CD 3.39Å; E23-K35 IonicContact OE2-NZ 3.4Å; I25-K35 HydrophobicContact CD1-CB 4.35Å; I25-K35 HydrophobicContact CG2-CB 3.81Å; K35-V44 HydrophobicContact CD-CG1 4.37Å; K35-V44 HydrophobicContact CG-CG1 3.74Å; K35-Y96 HydrophobicContact CB-CE2 4.45Å; K35-Y96 HydrophobicContact CD-CE2 4.36Å; K35-Y96 HydrophobicContact CG-CD2 4.24Å; K35-Y96 HydrophobicContact CG-CE2 3.97Å
36G97.8Very high90.9Very high0 Ų058.1 Ų58.10%029%0.287CS..EExtended strand (participates in β ladder)trans-150.9177.3173.200000112.7D20 V44 V45D20-G36 CarbonylContact O-C 3.55Å; D20-G36 WeakPolarHBondContact O-CA 3.42Å; G36-V44 WeakPolarHBondContact O-CA 3.33Å; G36-V44 WeakPolarHBondContact O-CG1 3.44Å; G36-V45 PolarHBondContact N-O 2.95Å; G36-V45 PolarHBondContact O-N 3.41Å
37V98.1Very high91.4Very high15 Ų1556.7 Ų56.79%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-132.1127.2178.6177.70000109.3Y19 D20 L22 R39 E43 V44Y19-V37 VanDerWaalsContact CA-O 3.31Å; Y19-V37 WeakPolarHBondContact CA-O 3.27Å; D20-V37 PolarHBondContact N-O 2.88Å; D20-V37 PolarHBondContact O-N 3.07Å; L22-V37 HydrophobicContact CD1-CG2 3.79Å; V37-R39 PolarHBondContact O-N 3.49Å; V37-E43 WeakPolarHBondContact CA-O 3.33Å; V37-V44 HydrophobicContact CG2-CG2 4.5Å
38D97.6Very high92Very high21 Ų2150.4 Ų50.411%0.11225%0.248CC..EExtended strand (participates in β ladder)trans-65.6117.9168-178.6-55.7000108.9Y19 K40 T41 R42 E43Y19-D38 HydrophobicContact CD1-CB 4.02Å; Y19-D38 HydrophobicContact CE1-CB 3.85Å; D38-K40 PolarHBondContact O-N 3.43Å; D38-K40 WeakPolarHBondContact OD1-CA 3.26Å; D38-K40 WeakPolarHBondContact OD1-CB 3.34Å; D38-K40 PolarHBondContact OD1-N 2.68Å; D38-T41 WeakPolarHBondContact CB-OG1 3.43Å; D38-T41 PolarHBondContact OD1-N 2.67Å; D38-T41 PolarHBondContact OD1-OG1 3.12Å; D38-R42 WeakPolarHBondContact O-CA 2.96Å; D38-R42 PolarHBondContact O-N 3.45Å; D38-E43 PolarHBondContact N-O 3.23Å
39R97.1Very high93.1Very high124 Ų12451.2 Ų51.247%0.46825%0.25SC..THydrogen-bonded Turntrans-61.3-26.6-175.7-72.9178.5161.7-176.92.6113.2E16 I18 D20 V37E16-R39 PolarHBondContact O-NH1 3.38Å; I18-R39 VanDerWaalsContact O-CB 3.29Å; I18-R39 WeakPolarHBondContact O-CB 3.41Å; I18-R39 WeakPolarHBondContact O-CG 3.31Å; I18-R39 PolarHBondContact O-N 3.4Å; D20-R39 IonicContact OD1-CZ 2.86Å; D20-R39 IonicContact OD1-NE 3.38Å; D20-R39 PolarHBondContact OD1-NE 2.69Å; D20-R39 IonicContact OD1-NH2 2.72Å; D20-R39 PolarHBondContact OD1-NH2 3.3Å; D20-R39 IonicContact OD2-NE 3.65Å; V37-R39 PolarHBondContact O-N 3.49Å
40K95.8Very high94.2Very high192 Ų19247.5 Ų47.584%0.83522%0.224SC*.THydrogen-bonded Turntrans-90.9-43.1-175.8-178.7-173.1176.2-175.30112.4D38D38-K40 PolarHBondContact O-N 3.43Å; D38-K40 WeakPolarHBondContact OD1-CA 3.26Å; D38-K40 WeakPolarHBondContact OD1-CB 3.34Å; D38-K40 PolarHBondContact OD1-N 2.68Å
41T96.3Very high95.1Very high79 Ų7948.5 Ų48.549%0.48523%0.231SC..THydrogen-bonded Turntrans-92.7-20-179.165.70000113.1D38 E43D38-T41 WeakPolarHBondContact CB-OG1 3.43Å; D38-T41 PolarHBondContact OD1-N 2.67Å; D38-T41 PolarHBondContact OD1-OG1 3.12Å; T41-E43 PolarHBondContact O-N 3.38Å; T41-E43 WeakPolarHBondContact OG1-CB 3.47Å; T41-E43 PolarHBondContact OG1-N 2.62Å
42R96.4Very high95.4Very high155 Ų15549.6 Ų49.659%0.58523%0.232SC*.  trans58.719.1-167.1-51.7-58.1-65.7167.31.4113.6D20 D38D20-R42 IonicContact OD2-NH1 3.23Å; D20-R42 PolarHBondContact OD2-NH1 3.36Å; D38-R42 WeakPolarHBondContact O-CA 2.96Å; D38-R42 PolarHBondContact O-N 3.45Å
43E96.2Very high95.4Very high83 Ų8354 Ų5439%0.38825%0.253SS..  trans-72.3137.6171.8-168.8176-178.800109.7V37 D38 T41 K79 H81V37-E43 WeakPolarHBondContact CA-O 3.33Å; D38-E43 PolarHBondContact N-O 3.23Å; T41-E43 PolarHBondContact O-N 3.38Å; T41-E43 WeakPolarHBondContact OG1-CB 3.47Å; T41-E43 PolarHBondContact OG1-N 2.62Å; E43-K79 IonicContact OE1-NZ 3.8Å; E43-H81 IonicContact OE1-CE1 2.82Å
44V97.6Very high95Very high58 Ų5856.9 Ų56.935%0.35228%0.279SS..EExtended strand (participates in β ladder)trans-82.2131.7175.8-173.60000108.9K35 G36 V37 Y96K35-V44 HydrophobicContact CD-CG1 4.37Å; K35-V44 HydrophobicContact CG-CG1 3.74Å; G36-V44 WeakPolarHBondContact O-CA 3.33Å; G36-V44 WeakPolarHBondContact O-CG1 3.44Å; V37-V44 HydrophobicContact CG2-CG2 4.5Å; V44-Y96 HydrophobicContact CB-CD1 4.18Å; V44-Y96 HydrophobicContact CG1-CD1 3.53Å; V44-Y96 HydrophobicContact CG1-CD2 4.42Å; V44-Y96 HydrophobicContact CG1-CE1 4.08Å; V44-Y96 HydrophobicContact CG1-CG 3.72Å; V44-Y96 WeakPolarHBondContact O-CB 3.09Å
45V97.5Very high94.4Very high1 Ų154.7 Ų54.71%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-125.5158-178-67.90000110.7Y19 G36 I47 V93Y19-V45 HydrophobicContact CD1-CG2 3.93Å; Y19-V45 HydrophobicContact CE1-CG2 4.35Å; G36-V45 PolarHBondContact N-O 2.95Å; G36-V45 PolarHBondContact O-N 3.41Å; V45-I47 HydrophobicContact CG2-CD1 4.12Å; V45-I47 HydrophobicContact CG2-CG1 3.99Å; V45-V93 HydrophobicContact CB-CG1 3.84Å; V45-V93 HydrophobicContact CG1-CG1 4.03Å; V45-V93 HydrophobicContact CG2-CG1 3.97Å
46A96.7Very high93.7Very high8 Ų860.2 Ų60.27%0.06630%0.298CS..EExtended strand (participates in β ladder)trans-98.3141.216300000109.2I25 V33 Y34 M94 Y96I25-A46 HydrophobicContact CD1-CB 4.25Å; V33-A46 HydrophobicContact CG1-CB 4.24Å; Y34-A46 CarbonylContact O-C 3.56Å; Y34-A46 WeakPolarHBondContact O-CA 3.37Å; A46-M94 HydrophobicContact CB-CG 3.81Å; A46-M94 PolarHBondContact N-O 2.88Å; A46-M94 PolarHBondContact O-N 3.36Å; A46-Y96 HydrophobicContact CB-CD2 4.5Å
47I95.8Very high92.8Very high0 Ų064.5 Ų64.50%032%0.321CS..EExtended strand (participates in β ladder)trans-129.5103.5-174.9-55.3-178.7000107.3Y19 I21 Y34 V45 L49 W91 V93Y19-I47 HydrophobicContact CG-CD1 4.31Å; I21-I47 HydrophobicContact CG1-CD1 4.17Å; Y34-I47 PolarHBondContact N-O 2.57Å; Y34-I47 PolarHBondContact O-N 2.89Å; V45-I47 HydrophobicContact CG2-CD1 4.12Å; V45-I47 HydrophobicContact CG2-CG1 3.99Å; I47-L49 HydrophobicContact CG2-CD2 3.68Å; I47-L49 HydrophobicContact CG2-CG 4.29Å; I47-W91 HydrophobicContact CD1-CE3 4.36Å; I47-W91 HydrophobicContact CD1-CZ3 4.17Å; I47-W91 HydrophobicContact CG2-CB 4.44Å; I47-W91 HydrophobicContact CG2-CD2 4.14Å; I47-W91 HydrophobicContact CG2-CE3 3.54Å; I47-W91 HydrophobicContact CG2-CZ3 4.18Å; I47-V93 HydrophobicContact CG1-CG2 4.43Å
48K93.5Very high92Very high1 Ų166 Ų660%0.00433%0.327CS..EExtended strand (participates in β ladder)trans-84.9114.1174.5-179.4174.1174.6-176.60107.6E32 V33 I50 E65 I92 M94 D157E32-K48 CarbonylContact O-C 3.13Å; E32-K48 WeakPolarHBondContact O-CA 3.48Å; V33-K48 HydrophobicContact CG2-CB 4.27Å; V33-K48 HydrophobicContact CG2-CG 4.25Å; K48-I50 HydrophobicContact CG-CD1 4.48Å; K48-I50 HydrophobicContact CG-CG1 4.41Å; K48-E65 IonicContact NZ-OE1 3.29Å; K48-E65 PolarHBondContact NZ-OE1 2.91Å; K48-E65 IonicContact NZ-OE2 3.28Å; K48-E65 PolarHBondContact NZ-OE2 3.14Å; K48-I92 HydrophobicContact CB-CB 4.27Å; K48-I92 HydrophobicContact CD-CD1 4.39Å; K48-I92 PolarHBondContact N-O 2.9Å; K48-I92 PolarHBondContact O-N 2.82Å; K48-M94 HydrophobicContact CB-CE 3.85Å; K48-M94 HydrophobicContact CD-CE 4.07Å; K48-D157 IonicContact NZ-OD1 3.38Å; K48-D157 PolarHBondContact NZ-OD1 2.95Å
49L94.4Very high91.4Very high31 Ų3167.6 Ų67.616%0.16234%0.335CS..EExtended strand (participates in β ladder)trans-99.2127.5179.1-61.4-175.2000109.5I21 G31 E32 Y34 I47 T89 W91I21-L49 HydrophobicContact CD1-CD1 4.02Å; G31-L49 CarbonylContact C-O 3.42Å; G31-L49 VanDerWaalsContact CA-O 3.32Å; G31-L49 WeakPolarHBondContact CA-O 3.24Å; E32-L49 PolarHBondContact N-O 2.92Å; E32-L49 PolarHBondContact O-N 2.77Å; Y34-L49 HydrophobicContact CD2-CD1 3.7Å; Y34-L49 HydrophobicContact CD2-CG 4.07Å; Y34-L49 HydrophobicContact CE2-CD1 3.78Å; Y34-L49 HydrophobicContact CE2-CG 4.45Å; I47-L49 HydrophobicContact CG2-CD2 3.68Å; I47-L49 HydrophobicContact CG2-CG 4.29Å; L49-T89 HydrophobicContact CB-CG2 4.22Å; L49-T89 HydrophobicContact CD2-CG2 4.29Å; L49-W91 HydrophobicContact CD2-CB 4.13Å; L49-W91 HydrophobicContact CD2-CD2 3.45Å; L49-W91 VanDerWaalsContact CD2-CD2 3.45Å; L49-W91 HydrophobicContact CD2-CE3 4.09Å; L49-W91 HydrophobicContact CD2-CG 3.44Å; L49-W91 VanDerWaalsContact CD2-CG 3.44Å; L49-W91 HydrophobicContact CD2-CZ2 4.38Å
50I92.2Very high90.7Very high0 Ų069.9 Ų69.90%035%0.351CS..EExtended strand (participates in β ladder)trans-129123.3-178.7-61.8173.3000107.7F30 K48 L52 A55 I62 T89 L90 I92F30-I50 HydrophobicContact CB-CD1 3.8Å; F30-I50 HydrophobicContact CB-CG1 4Å; F30-I50 HydrophobicContact CB-CG2 4.26Å; K48-I50 HydrophobicContact CG-CD1 4.48Å; K48-I50 HydrophobicContact CG-CG1 4.41Å; I50-L52 HydrophobicContact CG2-CD2 4.18Å; I50-A55 HydrophobicContact CG2-CB 4.24Å; I50-I62 HydrophobicContact CD1-CG1 4.31Å; I50-I62 HydrophobicContact CD1-CG2 3.87Å; I50-I62 HydrophobicContact CG2-CD1 3.88Å; I50-T89 CarbonylContact O-C 3.6Å; I50-T89 WeakPolarHBondContact O-CA 3.23Å; I50-L90 HydrophobicContact CB-CB 4.36Å; I50-L90 PolarHBondContact N-O 2.85Å; I50-L90 PolarHBondContact O-N 3.3Å; I50-I92 HydrophobicContact CD1-CD1 3.76Å
51D92.5Very high90Very high62 Ų6262.4 Ų62.433%0.33232%0.32SS..EExtended strand (participates in β ladder)trans-81.6119.6169.2176.729000109.9E53 A54 A55 T88D51-E53 VanDerWaalsContact C-N 3.34Å; D51-E53 PolarHBondContact OD1-N 2.82Å; D51-A54 HydrophobicContact CB-CB 4.15Å; D51-A54 WeakPolarHBondContact OD2-CB 3.34Å; D51-A54 PolarHBondContact OD2-N 3.12Å; D51-A55 VanDerWaalsContact O-CB 3.28Å; D51-A55 WeakPolarHBondContact O-CB 3.21Å; D51-A55 PolarHBondContact O-N 2.87Å; D51-T88 WeakPolarHBondContact OD1-CB 3.49Å; D51-T88 PolarHBondContact OD1-OG1 3.23Å
52L89.8Confident89.4Confident41 Ų4158.7 Ų58.722%0.21530%0.298CS..THydrogen-bonded Turntrans-78.7-15.3-177.2-61.6179.5000113.4I50 E56 L85 T88 L90I50-L52 HydrophobicContact CG2-CD2 4.18Å; L52-E56 PolarHBondContact O-N 2.88Å; L52-L85 HydrophobicContact CD1-CD1 3.84Å; L52-T88 VanDerWaalsContact CB-O 3.3Å; L52-T88 WeakPolarHBondContact CB-O 3.37Å; L52-T88 WeakPolarHBondContact CG-O 3.43Å; L52-T88 PolarHBondContact N-O 3.05Å; L52-L90 HydrophobicContact CD1-CB 4.1Å; L52-L90 HydrophobicContact CD2-CB 4Å; L52-L90 HydrophobicContact CD2-CD2 4.04Å; L52-L90 HydrophobicContact CG-CB 4Å
53E90Very high88.9Confident147 Ų14757.4 Ų57.469%0.68730%0.298SS*.THydrogen-bonded Turntrans-76-42.3169.9-70.7-169.2167.800110.9D51 A55 T88D51-E53 VanDerWaalsContact C-N 3.34Å; D51-E53 PolarHBondContact OD1-N 2.82Å; E53-A55 VanDerWaalsContact C-N 3.27Å; E53-A55 PolarHBondContact O-N 2.97Å; E53-T88 HydrophobicContact CG-CG2 3.73Å
54A86.2Confident88.2Confident84 Ų8456.5 Ų56.569%0.69429%0.294SS*.THydrogen-bonded Turntrans-67.9-23.6174.100000114.2D51D51-A54 HydrophobicContact CB-CB 4.15Å; D51-A54 WeakPolarHBondContact OD2-CB 3.34Å; D51-A54 PolarHBondContact OD2-N 3.12Å
55A83.2Confident87.4Confident7 Ų754 Ų546%0.05828%0.278CS..THydrogen-bonded Turntrans-113.725.2-172.600000114.3I50 D51 E53 D57 E58 I59 I62I50-A55 HydrophobicContact CG2-CB 4.24Å; D51-A55 VanDerWaalsContact O-CB 3.28Å; D51-A55 WeakPolarHBondContact O-CB 3.21Å; D51-A55 PolarHBondContact O-N 2.87Å; E53-A55 VanDerWaalsContact C-N 3.27Å; E53-A55 PolarHBondContact O-N 2.97Å; A55-D57 VanDerWaalsContact C-N 3.26Å; A55-D57 PolarHBondContact O-N 2.84Å; A55-E58 HydrophobicContact CB-CB 4.37Å; A55-E58 WeakPolarHBondContact O-CA 3.14Å; A55-E58 PolarHBondContact O-N 2.87Å; A55-I59 WeakPolarHBondContact O-CG1 3.42Å; A55-I59 PolarHBondContact O-N 2.95Å; A55-I62 HydrophobicContact CB-CD1 3.97Å
56E82.9Confident86.9Confident155 Ų15555 Ų5572%0.72428%0.284SS*.G310 helixtrans-51.8-43.9-178.7-174.3179.7-162.600112.4L52 E58L52-E56 PolarHBondContact O-N 2.88Å; E56-E58 PolarHBondContact O-N 2.65Å
57D80Confident86.5Confident90 Ų9059.7 Ų59.748%0.48130%0.303SS..G310 helixtrans-65.9-15.4178.7-80.1-37.6000113A55 K170 R171A55-D57 VanDerWaalsContact C-N 3.26Å; A55-D57 PolarHBondContact O-N 2.84Å; D57-K170 HydrophobicContact CB-CD 4.18Å; D57-K170 PolarHBondContact O-NZ 2.79Å; D57-R171 IonicContact OD2-CZ 2.65Å; D57-R171 IonicContact OD2-NH2 2.7Å; D57-R171 PolarHBondContact OD2-NH2 2.93Å
58E81.4Confident86Confident46 Ų4660.9 Ų60.922%0.21531%0.31CS..G310 helixtrans-113.1-3.2-172.1-77.167.3-136.100114.4F30 A55 E56 E60 D61 I62 K170F30-E58 HydrophobicContact CD1-CB 4.04Å; F30-E58 HydrophobicContact CD1-CG 4Å; F30-E58 HydrophobicContact CE1-CB 3.99Å; F30-E58 HydrophobicContact CE1-CG 3.81Å; A55-E58 HydrophobicContact CB-CB 4.37Å; A55-E58 WeakPolarHBondContact O-CA 3.14Å; A55-E58 PolarHBondContact O-N 2.87Å; E56-E58 PolarHBondContact O-N 2.65Å; E58-E60 VanDerWaalsContact C-N 3.28Å; E58-E60 PolarHBondContact O-N 3.33Å; E58-E60 VanDerWaalsContact O-N 3.15Å; E58-D61 PolarHBondContact O-N 3.12Å; E58-I62 HydrophobicContact CB-CD1 3.98Å; E58-I62 PolarHBondContact O-N 2.86Å; E58-K170 IonicContact OE1-NZ 3.48Å; E58-K170 PolarHBondContact OE1-NZ 2.7Å
59I84.3Confident85.6Confident55 Ų5561 Ų6128%0.28231%0.311SS..Hα-helixtrans-55-38.6-172-66.9179.4000113.1A55 I62 Q63A55-I59 WeakPolarHBondContact O-CG1 3.42Å; A55-I59 PolarHBondContact O-N 2.95Å; I59-I62 PolarHBondContact O-N 3.39Å; I59-Q63 HydrophobicContact CG2-CG 4.36Å; I59-Q63 VanDerWaalsContact CG2-NE2 3.33Å; I59-Q63 WeakPolarHBondContact O-CB 3.24Å; I59-Q63 WeakPolarHBondContact O-CG 3.42Å; I59-Q63 PolarHBondContact O-N 2.92Å
60E82Confident85.4Confident173 Ų17360.9 Ų60.981%0.80831%0.312SS*.Hα-helixtrans-65.1-39.9178.9-64.3-163.8164.400112.6E58 Q64E58-E60 VanDerWaalsContact C-N 3.28Å; E58-E60 PolarHBondContact O-N 3.33Å; E58-E60 VanDerWaalsContact O-N 3.15Å; E60-Q64 WeakPolarHBondContact O-CB 3.31Å; E60-Q64 PolarHBondContact O-N 2.86Å
61D80.2Confident85.3Confident34 Ų3466.2 Ų66.218%0.18234%0.337CS..Hα-helixtrans-68.2-45176.6-79.8-47.7000110F30 E58 Q63 Q64 E65 V160 G162F30-D61 HydrophobicContact CZ-CB 4.16Å; E58-D61 PolarHBondContact O-N 3.12Å; D61-Q63 VanDerWaalsContact C-N 3.34Å; D61-Q63 PolarHBondContact O-N 2.96Å; D61-Q64 PolarHBondContact O-N 2.83Å; D61-Q64 VanDerWaalsContact O-N 3.1Å; D61-E65 PolarHBondContact O-N 2.82Å; D61-V160 HydrophobicContact CB-CB 3.9Å; D61-V160 HydrophobicContact CB-CG1 4.02Å; D61-V160 HydrophobicContact CB-CG2 4.05Å; D61-V160 WeakPolarHBondContact O-CG1 3.37Å; D61-V160 WeakPolarHBondContact OD1-CB 3.43Å; D61-V160 WeakPolarHBondContact OD1-CG1 3.29Å; D61-G162 PolarHBondContact OD1-N 2.88Å
62I84.4Confident85.3Confident2 Ų264 Ų641%0.0133%0.326CS..Hα-helixtrans-59-43.5177.2-64.5155.9000111.6F30 I50 A55 E58 I59 Q64 E65 I66 L90F30-I62 HydrophobicContact CB-CD1 4.26Å; F30-I62 HydrophobicContact CB-CG1 4.18Å; F30-I62 HydrophobicContact CD1-CD1 4.3Å; F30-I62 HydrophobicContact CD1-CG1 4.04Å; F30-I62 HydrophobicContact CD2-CG1 3.76Å; F30-I62 HydrophobicContact CE1-CG1 4.37Å; F30-I62 HydrophobicContact CE2-CG1 4.12Å; F30-I62 HydrophobicContact CG-CD1 4.18Å; F30-I62 HydrophobicContact CG-CG1 3.73Å; F30-I62 HydrophobicContact CZ-CG1 4.41Å; I50-I62 HydrophobicContact CD1-CG1 4.31Å; I50-I62 HydrophobicContact CD1-CG2 3.87Å; I50-I62 HydrophobicContact CG2-CD1 3.88Å; A55-I62 HydrophobicContact CB-CD1 3.97Å; E58-I62 HydrophobicContact CB-CD1 3.98Å; E58-I62 PolarHBondContact O-N 2.86Å; I59-I62 PolarHBondContact O-N 3.39Å; I62-Q64 VanDerWaalsContact C-N 3.35Å; I62-Q64 PolarHBondContact O-N 3Å; I62-E65 PolarHBondContact O-N 3.17Å; I62-I66 HydrophobicContact CG2-CD1 4.16Å; I62-I66 WeakPolarHBondContact O-CG1 3.46Å; I62-I66 PolarHBondContact O-N 3.3Å; I62-L90 HydrophobicContact CG2-CD2 3.58Å
63Q85.6Confident85.4Confident128 Ų12869.2 Ų69.260%0.59835%0.354SS*.Hα-helixtrans-63.5-39.8175.7-74.3-177.529.200112.3I59 D61 K67I59-Q63 HydrophobicContact CG2-CG 4.36Å; I59-Q63 VanDerWaalsContact CG2-NE2 3.33Å; I59-Q63 WeakPolarHBondContact O-CB 3.24Å; I59-Q63 WeakPolarHBondContact O-CG 3.42Å; I59-Q63 PolarHBondContact O-N 2.92Å; D61-Q63 VanDerWaalsContact C-N 3.34Å; D61-Q63 PolarHBondContact O-N 2.96Å; Q63-K67 WeakPolarHBondContact O-CB 3.45Å; Q63-K67 PolarHBondContact O-N 3.03Å
64Q81.5Confident85.7Confident64 Ų6463.1 Ų63.130%0.29933%0.328SS..Hα-helixtrans-74.6-31.4-179.617960.434.500112.2E60 D61 I62 K67 V68 V160E60-Q64 WeakPolarHBondContact O-CB 3.31Å; E60-Q64 PolarHBondContact O-N 2.86Å; D61-Q64 PolarHBondContact O-N 2.83Å; D61-Q64 VanDerWaalsContact O-N 3.1Å; I62-Q64 VanDerWaalsContact C-N 3.35Å; I62-Q64 PolarHBondContact O-N 3Å; Q64-K67 PolarHBondContact O-N 2.95Å; Q64-V68 VanDerWaalsContact NE2-CG2 3.33Å; Q64-V68 WeakPolarHBondContact O-CG2 3.48Å; Q64-V68 PolarHBondContact O-N 2.93Å; Q64-V160 HydrophobicContact CB-CG1 3.71Å; Q64-V160 HydrophobicContact CG-CG1 3.69Å
65E82.1Confident86.3Confident5 Ų563.1 Ų63.12%0.02332%0.321CS..Hα-helixtrans-57.6-57.3168.3-169.9-162.6125.800110.3F30 K48 D61 I62 K67 V68 L69 F158 V160F30-E65 WeakPolarHBondContact CE2-OE2 3.43Å; K48-E65 IonicContact NZ-OE1 3.29Å; K48-E65 PolarHBondContact NZ-OE1 2.91Å; K48-E65 IonicContact NZ-OE2 3.28Å; K48-E65 PolarHBondContact NZ-OE2 3.14Å; D61-E65 PolarHBondContact O-N 2.82Å; I62-E65 PolarHBondContact O-N 3.17Å; E65-K67 VanDerWaalsContact C-N 3.28Å; E65-K67 PolarHBondContact O-N 2.96Å; E65-V68 PolarHBondContact O-N 3.46Å; E65-V68 VanDerWaalsContact O-N 3.1Å; E65-L69 WeakPolarHBondContact O-CB 3.5Å; E65-L69 PolarHBondContact O-N 3.18Å; E65-F158 HydrophobicContact CG-CB 4.46Å; E65-V160 HydrophobicContact CB-CG2 3.95Å
66I87Confident87Confident22 Ų2266 Ų6611%0.11333%0.33CS..Hα-helixtrans-57-43.3180-67.1165.7000110.6I62 V68 L69 S70 Y80 L90 I92I62-I66 HydrophobicContact CG2-CD1 4.16Å; I62-I66 WeakPolarHBondContact O-CG1 3.46Å; I62-I66 PolarHBondContact O-N 3.3Å; I66-V68 PolarHBondContact O-N 2.86Å; I66-L69 PolarHBondContact O-N 3.24Å; I66-S70 WeakPolarHBondContact O-CB 3.38Å; I66-S70 PolarHBondContact O-N 2.63Å; I66-S70 PolarHBondContact O-OG 2.89Å; I66-Y80 HydrophobicContact CG2-CE2 4.05Å; I66-L90 HydrophobicContact CD1-CD2 3.91Å; I66-I92 HydrophobicContact CD1-CD1 3.75Å; I66-I92 HydrophobicContact CD1-CG1 3.93Å; I66-I92 HydrophobicContact CG1-CD1 3.73Å; I66-I92 HydrophobicContact CG1-CG1 4.16Å
67K87Confident87.6Confident107 Ų10758.6 Ų58.647%0.46530%0.296SS..Hα-helixtrans-64.8-34.7178.9175.2177155.6-1520113.4Q63 Q64 E65 Q71Q63-K67 WeakPolarHBondContact O-CB 3.45Å; Q63-K67 PolarHBondContact O-N 3.03Å; Q64-K67 PolarHBondContact O-N 2.95Å; E65-K67 VanDerWaalsContact C-N 3.28Å; E65-K67 PolarHBondContact O-N 2.96Å; K67-Q71 WeakPolarHBondContact O-CG 3.21Å; K67-Q71 PolarHBondContact O-NE2 2.86Å
68V84.9Confident88.3Confident25 Ų2554.5 Ų54.515%0.15227%0.274CS..Hα-helixtrans-72.9-48.7174.6170.50000110.7Q64 E65 I66 Q71 C72 K135 F158Q64-V68 VanDerWaalsContact NE2-CG2 3.33Å; Q64-V68 WeakPolarHBondContact O-CG2 3.48Å; Q64-V68 PolarHBondContact O-N 2.93Å; E65-V68 PolarHBondContact O-N 3.46Å; E65-V68 VanDerWaalsContact O-N 3.1Å; I66-V68 PolarHBondContact O-N 2.86Å; V68-Q71 PolarHBondContact O-N 3.43Å; V68-C72 PolarHBondContact O-N 3.35Å; V68-C72 PolarHBondContact O-SG 3.31Å; V68-K135 HydrophobicContact CG1-CD 4.19Å; V68-K135 PolarHBondContact O-NZ 3.39Å; V68-F158 HydrophobicContact CG1-CB 4.43Å; V68-F158 HydrophobicContact CG1-CD1 3.51Å; V68-F158 HydrophobicContact CG1-CE1 3.85Å; V68-F158 HydrophobicContact CG1-CG 3.92Å
69L86.4Confident89Confident4 Ų457 Ų572%0.02128%0.284CS..Hα-helixtrans-65.5-45.3-175.8-174.271.8000112.1E65 I66 Q71 C72 I77 T78 Y80 F158E65-L69 WeakPolarHBondContact O-CB 3.5Å; E65-L69 PolarHBondContact O-N 3.18Å; I66-L69 PolarHBondContact O-N 3.24Å; L69-Q71 PolarHBondContact O-N 3.2Å; L69-C72 WeakPolarHBondContact O-CB 3.16Å; L69-C72 PolarHBondContact O-N 3.08Å; L69-I77 HydrophobicContact CD1-CG2 4.35Å; L69-T78 WeakPolarHBondContact CD1-O 3.2Å; L69-Y80 HydrophobicContact CD2-CD2 4.27Å; L69-F158 HydrophobicContact CB-CD2 4.41Å; L69-F158 HydrophobicContact CD1-CD2 3.79Å; L69-F158 HydrophobicContact CD1-CE2 3.52Å
70S89.8Confident89.4Confident28 Ų2855.7 Ų55.720%0.19628%0.276CS..THydrogen-bonded Turntrans-67.2-13.5176.961.20000114.1T7 I66 Y80T7-S70 WeakPolarHBondContact CG2-OG 3.13Å; I66-S70 WeakPolarHBondContact O-CB 3.38Å; I66-S70 PolarHBondContact O-N 2.63Å; I66-S70 PolarHBondContact O-OG 2.89Å; S70-Y80 VanDerWaalsContact CB-CD1 3.48Å; S70-Y80 VanDerWaalsContact CB-CE1 3.4Å
71Q90.3Very high89.9Confident111 Ų11149.8 Ų49.852%0.51925%0.248SC..THydrogen-bonded Turntrans-96.85.7170.7-67.6174.710.700112.8K67 V68 L69 K135K67-Q71 WeakPolarHBondContact O-CG 3.21Å; K67-Q71 PolarHBondContact O-NE2 2.86Å; V68-Q71 PolarHBondContact O-N 3.43Å; L69-Q71 PolarHBondContact O-N 3.2Å; Q71-K135 VanDerWaalsContact CB-NZ 3.34Å; Q71-K135 PolarHBondContact O-NZ 3.25Å
72C91.9Very high90.6Very high16 Ų1648.2 Ų48.211%0.10824%0.241CC..  trans-100.2133.5177.2-73.20000110.6V68 L69 I77 Y129 K135V68-C72 PolarHBondContact O-N 3.35Å; V68-C72 PolarHBondContact O-SG 3.31Å; L69-C72 WeakPolarHBondContact O-CB 3.16Å; L69-C72 PolarHBondContact O-N 3.08Å; C72-I77 HydrophobicContact CB-CB 4.48Å; C72-I77 HydrophobicContact CB-CG2 3.88Å; C72-Y129 HydrophobicContact CB-CE1 4.27Å; C72-K135 PolarHBondContact SG-NZ 3.42Å
73N93.3Very high91Very high151 Ų15148.2 Ų48.281%0.80724%0.24SC*.  trans-144.189.2174-178.620.9000108.2Y129N73-Y129 PolarHBondContact N-OH 3.15Å
74S96.3Very high91.5Very high19 Ų1942.3 Ų42.313%0.13321%0.213CC..  trans-153.5141.8-175.2170.80000108.7Y76 I77 Y129S74-Y76 PolarHBondContact O-N 3.38Å; S74-Y76 VanDerWaalsContact O-N 3.13Å; S74-Y76 PolarHBondContact OG-N 3.42Å; S74-I77 PolarHBondContact O-N 2.88Å; S74-Y129 VanDerWaalsContact CB-CD1 3.48Å
75P97.6Very high92.1Very high83 Ų8341.1 Ų41.154%0.53921%0.208SC..THydrogen-bonded Turntrans-66.6-11.717829.1-35.7000113.4K154P75-K154 VanDerWaalsContact O-CD 3.24Å; P75-K154 WeakPolarHBondContact O-CD 3.44Å; P75-K154 WeakPolarHBondContact O-CE 3.48Å; P75-K154 WeakPolarHBondContact O-CG 3.46Å
76Y98.1Very high92.5Very high67 Ų6743.7 Ų43.726%0.26322%0.219SC..THydrogen-bonded Turntrans-100.36-178.1-45.2-62.5000113.5S74 E122 K125 K154 L155S74-Y76 PolarHBondContact O-N 3.38Å; S74-Y76 VanDerWaalsContact O-N 3.13Å; S74-Y76 PolarHBondContact OG-N 3.42Å; Y76-E122 VanDerWaalsContact CE1-OE2 3.25Å; Y76-E122 WeakPolarHBondContact CE1-OE2 3.43Å; Y76-K125 HydrophobicContact CD1-CB 4.1Å; Y76-K125 HydrophobicContact CD1-CD 4.11Å; Y76-K125 HydrophobicContact CD2-CB 3.58Å; Y76-K125 HydrophobicContact CD2-CD 4.42Å; Y76-K125 HydrophobicContact CE1-CB 4.21Å; Y76-K125 HydrophobicContact CE1-CD 3.48Å; Y76-K125 VanDerWaalsContact CE1-CD 3.48Å; Y76-K125 HydrophobicContact CE2-CB 3.69Å; Y76-K125 HydrophobicContact CE2-CD 3.83Å; Y76-K125 HydrophobicContact CE2-CG 4.35Å; Y76-K125 HydrophobicContact CG-CB 3.8Å; Y76-K125 WeakPolarHBondContact OH-CD 3.39Å; Y76-K154 CarbonylContact O-C 3.54Å; Y76-K154 VanDerWaalsContact O-CA 3.29Å; Y76-K154 WeakPolarHBondContact O-CA 3.4Å; Y76-L155 PolarHBondContact O-N 3.22Å
77I96.3Very high92.7Very high1 Ų149.1 Ų49.11%0.00525%0.249CC..BIsolated β-bridgetrans-126.4143.1178.7-53.3-61.6000108L69 C72 S74 K79 Y129 L130 K154 L155 F158L69-I77 HydrophobicContact CD1-CG2 4.35Å; C72-I77 HydrophobicContact CB-CB 4.48Å; C72-I77 HydrophobicContact CB-CG2 3.88Å; S74-I77 PolarHBondContact O-N 2.88Å; I77-K79 PolarHBondContact O-N 2.9Å; I77-Y129 HydrophobicContact CD1-CD1 4.44Å; I77-Y129 HydrophobicContact CG1-CD1 3.85Å; I77-Y129 HydrophobicContact CG1-CE1 4.09Å; I77-L130 HydrophobicContact CD1-CD1 3.78Å; I77-L130 HydrophobicContact CD1-CD2 4.14Å; I77-L130 HydrophobicContact CD1-CG 3.88Å; I77-K154 WeakPolarHBondContact O-CD 3.4Å; I77-L155 HydrophobicContact CD1-CB 3.96Å; I77-L155 HydrophobicContact CD1-CD1 4.01Å; I77-L155 HydrophobicContact CD1-CG 4.27Å; I77-F158 HydrophobicContact CD1-CZ 4.21Å; I77-F158 HydrophobicContact CG2-CE2 3.66Å; I77-F158 HydrophobicContact CG2-CZ 3.61Å
78T94.7Very high92.9Very high3 Ų346.5 Ų46.52%0.01824%0.241CC..PPolyproline II helixtrans-56.6129.2172.6450000111.4L69 L97 L146 L155 A156L69-T78 WeakPolarHBondContact CD1-O 3.2Å; T78-L97 HydrophobicContact CG2-CD1 3.69Å; T78-L146 HydrophobicContact CG2-CD1 4.3Å; T78-L155 PolarHBondContact N-O 2.87Å; T78-L155 PolarHBondContact OG1-O 3.46Å; T78-A156 HydrophobicContact CG2-CB 3.74Å
79K94.7Very high93.3Very high99 Ų9947.3 Ų47.343%0.4325%0.247SC..PPolyproline II helixtrans-78.8126179.2170.9-170.2165.6-154.50110.5E43 I77 H81 M94 E95E43-K79 IonicContact OE1-NZ 3.8Å; I77-K79 PolarHBondContact O-N 2.9Å; K79-H81 PolarHBondContact NZ-CE1 2.9Å; K79-H81 PolarHBondContact O-CD2 3.37Å; K79-M94 CarbonylContact O-C 3.56Å; K79-M94 VanDerWaalsContact O-CA 3.31Å; K79-M94 WeakPolarHBondContact O-CA 3.39Å; K79-E95 HydrophobicContact CB-CB 3.99Å; K79-E95 WeakPolarHBondContact CB-OE2 3.32Å; K79-E95 PolarHBondContact N-OE2 3.22Å; K79-E95 VanDerWaalsContact N-OE2 3.12Å; K79-E95 PolarHBondContact O-N 3.46Å
80Y93.5Very high93.7Very high28 Ų2847.6 Ų47.611%0.1125%0.248CC..EExtended strand (participates in β ladder)trans-82.4135.7170166.4-94.7000111.2I66 L69 S70 S83 I92I66-Y80 HydrophobicContact CG2-CE2 4.05Å; L69-Y80 HydrophobicContact CD2-CD2 4.27Å; S70-Y80 VanDerWaalsContact CB-CD1 3.48Å; S70-Y80 VanDerWaalsContact CB-CE1 3.4Å; Y80-S83 WeakPolarHBondContact CE2-OG 3.31Å; Y80-S83 PolarHBondContact OH-N 3.42Å; Y80-I92 HydrophobicContact CD2-CG2 4.15Å; Y80-I92 HydrophobicContact CE2-CG2 4.18Å
81H93.3Very high93.9Very high48 Ų4846.7 Ų46.722%0.22224%0.241CC..EExtended strand (participates in β ladder)trans-106.8-26.8178.2-68.8-117.4000112.7E43 K79 V93E43-H81 IonicContact OE1-CE1 2.82Å; K79-H81 PolarHBondContact NZ-CE1 2.9Å; K79-H81 PolarHBondContact O-CD2 3.37Å; H81-V93 HydrophobicContact CB-CB 4.33Å; H81-V93 HydrophobicContact CB-CG1 4.09Å; H81-V93 PolarHBondContact N-O 3.13Å
82G93.4Very high94.1Very high2 Ų241.4 Ų41.42%0.02122%0.216CC..EExtended strand (participates in β ladder)trans151.7154.9177.100000113.5V93G82-V93 PolarHBondContact N-O 2.81Å; G82-V93 WeakPolarHBondContact O-CB 3.45Å; G82-V93 PolarHBondContact O-N 3.4Å
83S94Very high94.2Very high1 Ų140.7 Ų40.71%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-106148.3168.8-63.90000112.4K10 Y80 W91K10-S83 PolarHBondContact N-O 3.28Å; Y80-S83 WeakPolarHBondContact CE2-OG 3.31Å; Y80-S83 PolarHBondContact OH-N 3.42Å; S83-W91 CarbonylContact C-O 3.41Å; S83-W91 WeakPolarHBondContact CA-O 3.31Å; S83-W91 WeakPolarHBondContact CB-O 3.37Å
84Y95.6Very high94.3Very high5 Ų534.2 Ų34.22%0.0218%0.176CC..EExtended strand (participates in β ladder)trans-133.8144.5179.6-54.5-105.3000108.6K10 V13 P15 I18 Y19 W91 V93K10-Y84 HydrophobicContact CB-CD1 3.75Å; K10-Y84 HydrophobicContact CB-CE1 4.19Å; K10-Y84 HydrophobicContact CB-CG 4.36Å; K10-Y84 HydrophobicContact CD-CD1 3.67Å; K10-Y84 HydrophobicContact CD-CE1 3.21Å; K10-Y84 HydrophobicContact CD-CG 4.49Å; K10-Y84 HydrophobicContact CG-CD1 4.38Å; K10-Y84 HydrophobicContact CG-CE1 4.35Å; K10-Y84 PolarHBondContact NZ-OH 3.34Å; K10-Y84 WeakPolarHBondContact O-CA 3.32Å; V13-Y84 HydrophobicContact CB-CD1 4.44Å; V13-Y84 HydrophobicContact CG1-CD1 4.34Å; V13-Y84 HydrophobicContact CG1-CE1 4.3Å; P15-Y84 HydrophobicContact CB-CD1 4.17Å; P15-Y84 HydrophobicContact CB-CD2 4.34Å; P15-Y84 HydrophobicContact CB-CG 3.89Å; I18-Y84 HydrophobicContact CD1-CE1 3.7Å; Y19-Y84 HydrophobicContact CE2-CD2 4.37Å; Y19-Y84 HydrophobicContact CE2-CE1 4.44Å; Y19-Y84 AromaticContact CE2-CE2 3.6Å; Y19-Y84 HydrophobicContact CE2-CE2 3.6Å; Y19-Y84 AromaticContact CE2-CZ 3.64Å; Y19-Y84 PolarHBondContact OH-OH 3.03Å; Y84-W91 PolarHBondContact N-O 2.94Å; Y84-W91 PolarHBondContact O-N 2.94Å; Y84-V93 HydrophobicContact CD2-CG2 4Å; Y84-V93 HydrophobicContact CE2-CG2 3.82Å
85L94.1Very high94.3Very high39 Ų3935.5 Ų35.520%0.20418%0.18CC..EExtended strand (participates in β ladder)trans-110.7122.1172.1-179.459.5000108.2L9 K10 V11 L52L9-L85 HydrophobicContact CD1-CB 4.19Å; L9-L85 HydrophobicContact CD2-CB 4.44Å; L9-L85 HydrophobicContact CG-CB 4.45Å; K10-L85 PolarHBondContact O-N 3.26Å; V11-L85 HydrophobicContact CG1-CD2 4.3Å; V11-L85 HydrophobicContact CG2-CB 4.34Å; V11-L85 HydrophobicContact CG2-CD2 4.37Å; L52-L85 HydrophobicContact CD1-CD1 3.84Å
86K90.8Very high94.2Very high59 Ų5933.9 Ų33.926%0.25716%0.163SC..EExtended strand (participates in β ladder)trans-120.5119.7170173.6-178.2166.2178.90107.4P15 E16 T88 T89P15-K86 HydrophobicContact CG-CB 4.3Å; E16-K86 IonicContact OE1-NZ 3.89Å; E16-K86 PolarHBondContact OE1-NZ 2.84Å; E16-K86 IonicContact OE2-NZ 2.65Å; E16-K86 PolarHBondContact OE2-NZ 3.13Å; K86-T88 PolarHBondContact O-N 3.19Å; K86-T88 VanDerWaalsContact O-N 3.17Å; K86-T89 PolarHBondContact N-O 2.92Å; K86-T89 WeakPolarHBondContact O-CA 3.45Å; K86-T89 PolarHBondContact O-N 3.48Å
87D90.6Very high94.2Very high136 Ų13631.4 Ų31.473%0.72715%0.154SC*.THydrogen-bonded Turntrans53-117.4-177.9-50.1-50000110.2
88T91.5Very high94.2Very high51 Ų5132.1 Ų32.131%0.31316%0.162SC..THydrogen-bonded Turntrans-92.9-10.8172.765.30000113.5D51 L52 E53 K86D51-T88 WeakPolarHBondContact OD1-CB 3.49Å; D51-T88 PolarHBondContact OD1-OG1 3.23Å; L52-T88 VanDerWaalsContact CB-O 3.3Å; L52-T88 WeakPolarHBondContact CB-O 3.37Å; L52-T88 WeakPolarHBondContact CG-O 3.43Å; L52-T88 PolarHBondContact N-O 3.05Å; E53-T88 HydrophobicContact CG-CG2 3.73Å; K86-T88 PolarHBondContact O-N 3.19Å; K86-T88 VanDerWaalsContact O-N 3.17Å
89T93.6Very high94.3Very high42 Ų4232 Ų3226%0.25816%0.162SC..EExtended strand (participates in β ladder)trans-90.1118-172.4-50.60000111.9L49 I50 K86L49-T89 HydrophobicContact CB-CG2 4.22Å; L49-T89 HydrophobicContact CD2-CG2 4.29Å; I50-T89 CarbonylContact O-C 3.6Å; I50-T89 WeakPolarHBondContact O-CA 3.23Å; K86-T89 PolarHBondContact N-O 2.92Å; K86-T89 WeakPolarHBondContact O-CA 3.45Å; K86-T89 PolarHBondContact O-N 3.48Å
90L94.1Very high94.3Very high10 Ų1028.1 Ų28.15%0.05215%0.15CC..EExtended strand (participates in β ladder)trans-83.8121.6169.4175.460.7000110.2L9 I50 L52 I62 I66 I92L9-L90 HydrophobicContact CD1-CD1 3.49Å; L9-L90 VanDerWaalsContact CD1-CD1 3.49Å; I50-L90 HydrophobicContact CB-CB 4.36Å; I50-L90 PolarHBondContact N-O 2.85Å; I50-L90 PolarHBondContact O-N 3.3Å; L52-L90 HydrophobicContact CD1-CB 4.1Å; L52-L90 HydrophobicContact CD2-CB 4Å; L52-L90 HydrophobicContact CD2-CD2 4.04Å; L52-L90 HydrophobicContact CG-CB 4Å; I62-L90 HydrophobicContact CG2-CD2 3.58Å; I66-L90 HydrophobicContact CD1-CD2 3.91Å; L90-I92 HydrophobicContact CG-CG1 4.32Å
91W95.3Very high94.5Very high10 Ų1027.3 Ų27.34%0.03815%0.148CC..EExtended strand (participates in β ladder)trans-98.4129.3172.4-65.243.8000108.8P15 E16 I21 I47 L49 S83 Y84P15-W91 HydrophobicContact CB-CD2 3.77Å; P15-W91 HydrophobicContact CB-CE3 3.51Å; P15-W91 HydrophobicContact CB-CG 4.35Å; P15-W91 HydrophobicContact CB-CH2 4.27Å; P15-W91 HydrophobicContact CB-CZ3 3.79Å; P15-W91 HydrophobicContact CG-CD2 3.37Å; P15-W91 VanDerWaalsContact CG-CE2 3.44Å; P15-W91 HydrophobicContact CG-CE3 3.65Å; P15-W91 HydrophobicContact CG-CG 3.82Å; P15-W91 HydrophobicContact CG-CH2 4.03Å; P15-W91 HydrophobicContact CG-CZ2 3.79Å; P15-W91 HydrophobicContact CG-CZ3 3.97Å; E16-W91 HydrophobicContact CG-CH2 3.7Å; E16-W91 HydrophobicContact CG-CZ2 3.9Å; I21-W91 HydrophobicContact CD1-CH2 3.33Å; I21-W91 HydrophobicContact CD1-CZ2 3.85Å; I21-W91 HydrophobicContact CD1-CZ3 3.74Å; I21-W91 HydrophobicContact CG1-CH2 3.89Å; I21-W91 HydrophobicContact CG1-CZ3 3.96Å; I47-W91 HydrophobicContact CD1-CE3 4.36Å; I47-W91 HydrophobicContact CD1-CZ3 4.17Å; I47-W91 HydrophobicContact CG2-CB 4.44Å; I47-W91 HydrophobicContact CG2-CD2 4.14Å; I47-W91 HydrophobicContact CG2-CE3 3.54Å; I47-W91 HydrophobicContact CG2-CZ3 4.18Å; L49-W91 HydrophobicContact CD2-CB 4.13Å; L49-W91 HydrophobicContact CD2-CD2 3.45Å; L49-W91 VanDerWaalsContact CD2-CD2 3.45Å; L49-W91 HydrophobicContact CD2-CE3 4.09Å; L49-W91 HydrophobicContact CD2-CG 3.44Å; L49-W91 VanDerWaalsContact CD2-CG 3.44Å; L49-W91 HydrophobicContact CD2-CZ2 4.38Å; S83-W91 CarbonylContact C-O 3.41Å; S83-W91 WeakPolarHBondContact CA-O 3.31Å; S83-W91 WeakPolarHBondContact CB-O 3.37Å; Y84-W91 PolarHBondContact N-O 2.94Å; Y84-W91 PolarHBondContact O-N 2.94Å
92I93.1Very high94.7Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-115.6110.6170.6-49.8171.6000107.9K48 I50 I66 Y80 L90 M94K48-I92 HydrophobicContact CB-CB 4.27Å; K48-I92 HydrophobicContact CD-CD1 4.39Å; K48-I92 PolarHBondContact N-O 2.9Å; K48-I92 PolarHBondContact O-N 2.82Å; I50-I92 HydrophobicContact CD1-CD1 3.76Å; I66-I92 HydrophobicContact CD1-CD1 3.75Å; I66-I92 HydrophobicContact CD1-CG1 3.93Å; I66-I92 HydrophobicContact CG1-CD1 3.73Å; I66-I92 HydrophobicContact CG1-CG1 4.16Å; Y80-I92 HydrophobicContact CD2-CG2 4.15Å; Y80-I92 HydrophobicContact CE2-CG2 4.18Å; L90-I92 HydrophobicContact CG-CG1 4.32Å; I92-M94 HydrophobicContact CB-CE 4.36Å; I92-M94 HydrophobicContact CG2-CE 3.92Å
93V95.3Very high94.9Very high0 Ų028.4 Ų28.40%016%0.155CC..EExtended strand (participates in β ladder)trans-94.8125.1-178.8-171.50000110.1Y19 V45 I47 H81 G82 Y84Y19-V93 HydrophobicContact CD1-CG1 4.46Å; Y19-V93 HydrophobicContact CD2-CG2 4.24Å; Y19-V93 HydrophobicContact CE1-CG1 3.93Å; Y19-V93 HydrophobicContact CE2-CG2 3.88Å; V45-V93 HydrophobicContact CB-CG1 3.84Å; V45-V93 HydrophobicContact CG1-CG1 4.03Å; V45-V93 HydrophobicContact CG2-CG1 3.97Å; I47-V93 HydrophobicContact CG1-CG2 4.43Å; H81-V93 HydrophobicContact CB-CB 4.33Å; H81-V93 HydrophobicContact CB-CG1 4.09Å; H81-V93 PolarHBondContact N-O 3.13Å; G82-V93 PolarHBondContact N-O 2.81Å; G82-V93 WeakPolarHBondContact O-CB 3.45Å; G82-V93 PolarHBondContact O-N 3.4Å; Y84-V93 HydrophobicContact CD2-CG2 4Å; Y84-V93 HydrophobicContact CE2-CG2 3.82Å
94M94.7Very high95Very high16 Ų1630.1 Ų30.18%0.07916%0.164CC..EExtended strand (participates in β ladder)trans-138.7168.6-177.167.7-171.575.600112A46 K48 K79 I92A46-M94 HydrophobicContact CB-CG 3.81Å; A46-M94 PolarHBondContact N-O 2.88Å; A46-M94 PolarHBondContact O-N 3.36Å; K48-M94 HydrophobicContact CB-CE 3.85Å; K48-M94 HydrophobicContact CD-CE 4.07Å; K79-M94 CarbonylContact O-C 3.56Å; K79-M94 VanDerWaalsContact O-CA 3.31Å; K79-M94 WeakPolarHBondContact O-CA 3.39Å; I92-M94 HydrophobicContact CB-CE 4.36Å; I92-M94 HydrophobicContact CG2-CE 3.92Å
95E95.3Very high95.1Very high46 Ų4629.9 Ų29.922%0.21516%0.163CC..EExtended strand (participates in β ladder)trans-61.7133.1178.5174.8179.2-152.800112.6K79 L97 K154K79-E95 HydrophobicContact CB-CB 3.99Å; K79-E95 WeakPolarHBondContact CB-OE2 3.32Å; K79-E95 PolarHBondContact N-OE2 3.22Å; K79-E95 VanDerWaalsContact N-OE2 3.12Å; K79-E95 PolarHBondContact O-N 3.46Å; E95-L97 HydrophobicContact CG-CD2 4.39Å; E95-K154 IonicContact OE1-NZ 3.3Å; E95-K154 PolarHBondContact OE1-NZ 3.18Å; E95-K154 IonicContact OE2-NZ 2.77Å; E95-K154 PolarHBondContact OE2-NZ 3.26Å
96Y97.2Very high95.3Very high49 Ų4928.9 Ų28.919%0.19216%0.157CC..  trans-82.6122.7176.1-178.9-111.7000111.9I25 K35 V44 A46 G98 Y149I25-Y96 HydrophobicContact CD1-CD2 3.97Å; I25-Y96 HydrophobicContact CD1-CE2 3.72Å; K35-Y96 HydrophobicContact CB-CE2 4.45Å; K35-Y96 HydrophobicContact CD-CE2 4.36Å; K35-Y96 HydrophobicContact CG-CD2 4.24Å; K35-Y96 HydrophobicContact CG-CE2 3.97Å; V44-Y96 HydrophobicContact CB-CD1 4.18Å; V44-Y96 HydrophobicContact CG1-CD1 3.53Å; V44-Y96 HydrophobicContact CG1-CD2 4.42Å; V44-Y96 HydrophobicContact CG1-CE1 4.08Å; V44-Y96 HydrophobicContact CG1-CG 3.72Å; V44-Y96 WeakPolarHBondContact O-CB 3.09Å; A46-Y96 HydrophobicContact CB-CD2 4.5Å; Y96-G98 VanDerWaalsContact CE1-CA 3.41Å; Y96-Y149 HydrophobicContact CE1-CE2 4.16Å
97L97.1Very high95.5Very high14 Ų1430 Ų307%0.07316%0.162CC..  trans-112.879.5177.6-67.9174.7000109.5T78 E95 G99 G100 L146 L147 K154T78-L97 HydrophobicContact CG2-CD1 3.69Å; E95-L97 HydrophobicContact CG-CD2 4.39Å; L97-G99 PolarHBondContact O-N 3.24Å; L97-G99 VanDerWaalsContact O-N 3.13Å; L97-G100 PolarHBondContact O-N 2.79Å; L97-L146 HydrophobicContact CB-CB 3.92Å; L97-L146 HydrophobicContact CD1-CB 3.53Å; L97-L146 HydrophobicContact CD1-CD1 4.36Å; L97-L146 HydrophobicContact CG-CB 4.38Å; L97-L147 CarbonylContact C-O 3.58Å; L97-L147 WeakPolarHBondContact CB-O 3.44Å; L97-L147 VanDerWaalsContact O-O 3.13Å; L97-K154 HydrophobicContact CD1-CB 3.88Å; L97-K154 HydrophobicContact CD1-CD 4.09Å; L97-K154 HydrophobicContact CD1-CG 4Å; L97-K154 HydrophobicContact CD2-CD 4.38Å
98G95.9Very high95.8Very high16 Ų1624.9 Ų24.917%0.16514%0.136CC..THydrogen-bonded Turntrans-71.71-169.700000117.1Y96 Y149Y96-G98 VanDerWaalsContact CE1-CA 3.41Å; G98-Y149 VanDerWaalsContact C-CE1 3.42Å; G98-Y149 WeakPolarHBondContact O-CE1 3.39Å; G98-Y149 VanDerWaalsContact O-CZ 3.3Å; G98-Y149 PolarHBondContact O-OH 3.12Å
99G96.8Very high96Very high1 Ų123.6 Ų23.61%0.0113%0.134CC..THydrogen-bonded Turntrans-77.8-6171.800000114L97 L147L97-G99 PolarHBondContact O-N 3.24Å; L97-G99 VanDerWaalsContact O-N 3.13Å; G99-L147 WeakPolarHBondContact CA-O 3.5Å; G99-L147 PolarHBondContact N-O 3.39Å
100G95.6Very high96.2Very high18 Ų1827.1 Ų27.119%0.18616%0.157CC..  trans87.7-176.4-178.100000113.2L97 L147L97-G100 PolarHBondContact O-N 2.79Å; G100-L147 PolarHBondContact O-N 2.81Å
101S96.9Very high96.3Very high10 Ų1027.1 Ų27.17%0.0716%0.157CC..BIsolated β-bridgetrans-82.8162.617071.50000111.6L103 D104 L105 A143 V145S101-L103 PolarHBondContact O-N 3.07Å; S101-L103 PolarHBondContact OG-N 2.86Å; S101-D104 WeakPolarHBondContact CB-OD2 3.44Å; S101-D104 PolarHBondContact N-OD2 2.96Å; S101-D104 WeakPolarHBondContact O-CB 3.45Å; S101-D104 PolarHBondContact O-N 2.86Å; S101-D104 VanDerWaalsContact O-N 3.15Å; S101-D104 VanDerWaalsContact OG-CG 3.25Å; S101-D104 PolarHBondContact OG-N 2.8Å; S101-D104 VanDerWaalsContact OG-N 3.08Å; S101-D104 PolarHBondContact OG-OD2 2.92Å; S101-L105 PolarHBondContact O-N 2.79Å; S101-L105 VanDerWaalsContact O-N 3.14Å; S101-A143 WeakPolarHBondContact CB-O 3.21Å; S101-V145 CarbonylContact C-O 3.47Å; S101-V145 VanDerWaalsContact CA-O 3.32Å; S101-V145 WeakPolarHBondContact CA-O 3.22Å
102A98.3Very high96.4Very high0 Ų029.7 Ų29.70%018%0.175CC..THydrogen-bonded Turntrans-67.6-18.2172.800000112.3A142 V145 L147 L207A102-A142 HydrophobicContact CB-CB 4.11Å; A102-A142 PolarHBondContact N-O 2.68Å; A102-A142 VanDerWaalsContact N-O 3.16Å; A102-V145 HydrophobicContact CB-CB 4.05Å; A102-V145 HydrophobicContact CB-CG1 4.01Å; A102-V145 PolarHBondContact N-O 2.92Å; A102-L147 HydrophobicContact CB-CD1 4.19Å; A102-L207 HydrophobicContact CB-CD2 3.88Å
103L96.9Very high96.6Very high73 Ų7331.9 Ų31.938%0.38219%0.185SC..THydrogen-bonded Turntrans-69.6-46.8167.8175.560.4000111.2S101 L105 M106 A142 A143S101-L103 PolarHBondContact O-N 3.07Å; S101-L103 PolarHBondContact OG-N 2.86Å; L103-L105 VanDerWaalsContact C-N 3.28Å; L103-L105 PolarHBondContact O-N 2.9Å; L103-M106 HydrophobicContact CD1-CE 3.68Å; L103-M106 WeakPolarHBondContact O-CB 3.39Å; L103-M106 PolarHBondContact O-N 3.05Å; L103-A142 HydrophobicContact CB-CB 4.1Å; L103-A142 PolarHBondContact N-O 3.38Å; L103-A143 HydrophobicContact CB-CB 4.35Å; L103-A143 HydrophobicContact CD2-CB 3.91Å
104D96.6Very high96.7Very high38 Ų3834.4 Ų34.420%0.20320%0.2CC..G310 helixtrans-58.2-41.3175.8-63.7-61.2000111.9S101 M106 K107 Y285S101-D104 WeakPolarHBondContact CB-OD2 3.44Å; S101-D104 PolarHBondContact N-OD2 2.96Å; S101-D104 WeakPolarHBondContact O-CB 3.45Å; S101-D104 PolarHBondContact O-N 2.86Å; S101-D104 VanDerWaalsContact O-N 3.15Å; S101-D104 VanDerWaalsContact OG-CG 3.25Å; S101-D104 PolarHBondContact OG-N 2.8Å; S101-D104 VanDerWaalsContact OG-N 3.08Å; S101-D104 PolarHBondContact OG-OD2 2.92Å; D104-M106 PolarHBondContact O-N 3.13Å; D104-M106 VanDerWaalsContact O-N 3.07Å; D104-K107 WeakPolarHBondContact O-CB 3.45Å; D104-K107 WeakPolarHBondContact O-CG 3.35Å; D104-K107 PolarHBondContact O-N 2.92Å; D104-K107 WeakPolarHBondContact OD1-CE 3.29Å; D104-K107 IonicContact OD1-NZ 3.63Å; D104-K107 PolarHBondContact OD1-NZ 3.33Å; D104-Y285 HydrophobicContact CB-CD1 4.24Å; D104-Y285 HydrophobicContact CB-CE1 3.68Å; D104-Y285 HydrophobicContact CB-CE2 4.16Å; D104-Y285 PolarHBondContact OD1-OH 2.66Å
105L97.5Very high96.9Very high0 Ų033.7 Ų33.70%020%0.197CC..G310 helixtrans-65.7-8.8177.9-62.4-170.2000114.2S101 L103 I111 L147 L281 I282 R284 Y285S101-L105 PolarHBondContact O-N 2.79Å; S101-L105 VanDerWaalsContact O-N 3.14Å; L103-L105 VanDerWaalsContact C-N 3.28Å; L103-L105 PolarHBondContact O-N 2.9Å; L105-I111 HydrophobicContact CB-CD1 4.37Å; L105-L147 HydrophobicContact CD1-CD1 3.7Å; L105-L147 HydrophobicContact CD1-CD2 3.68Å; L105-L147 HydrophobicContact CD1-CG 4.23Å; L105-L147 HydrophobicContact CG-CD1 4.41Å; L105-L281 HydrophobicContact CD1-CB 4.06Å; L105-L281 HydrophobicContact CD1-CD1 4.44Å; L105-I282 HydrophobicContact CD1-CG1 4.11Å; L105-I282 HydrophobicContact CD2-CG1 4.19Å; L105-R284 PolarHBondContact O-NH2 3.17Å; L105-Y285 HydrophobicContact CD2-CD1 3.89Å; L105-Y285 HydrophobicContact CD2-CG 3.97Å
106M97.5Very high97Very high17 Ų1731.5 Ų31.58%0.08419%0.187CC..G310 helixtrans-90-22.1170.6-65.1-169.3-68.400113.8L103 D104 P108 G109 I111 A142 E206 L207L103-M106 HydrophobicContact CD1-CE 3.68Å; L103-M106 WeakPolarHBondContact O-CB 3.39Å; L103-M106 PolarHBondContact O-N 3.05Å; D104-M106 PolarHBondContact O-N 3.13Å; D104-M106 VanDerWaalsContact O-N 3.07Å; M106-P108 VanDerWaalsContact C-CD 3.41Å; M106-P108 VanDerWaalsContact C-N 3.31Å; M106-G109 CarbonylContact O-C 3.59Å; M106-G109 WeakPolarHBondContact O-CA 3.47Å; M106-G109 PolarHBondContact O-N 3.01Å; M106-I111 HydrophobicContact CG-CD1 3.48Å; M106-I111 VanDerWaalsContact CG-CD1 3.48Å; M106-I111 HydrophobicContact CG-CG1 4Å; M106-A142 HydrophobicContact CE-CB 4.07Å; M106-E206 HydrophobicContact CE-CG 3.88Å; M106-L207 HydrophobicContact SD-CD2 4.36Å
107K96.3Very high97.1Very high83 Ų8329.3 Ų29.336%0.36118%0.178SC..THydrogen-bonded Turntrans-50.5-41.3179.7-63.5172.2173.6-178.50113.4D104 G109 Y285 W288 D294D104-K107 WeakPolarHBondContact O-CB 3.45Å; D104-K107 WeakPolarHBondContact O-CG 3.35Å; D104-K107 PolarHBondContact O-N 2.92Å; D104-K107 WeakPolarHBondContact OD1-CE 3.29Å; D104-K107 IonicContact OD1-NZ 3.63Å; D104-K107 PolarHBondContact OD1-NZ 3.33Å; K107-G109 PolarHBondContact O-N 3.49Å; K107-Y285 HydrophobicContact CD-CE2 3.81Å; K107-Y285 PolarHBondContact NZ-OH 3.3Å; K107-W288 HydrophobicContact CB-CE3 4.22Å; K107-W288 HydrophobicContact CB-CH2 3.66Å; K107-W288 HydrophobicContact CB-CZ2 3.94Å; K107-W288 HydrophobicContact CB-CZ3 3.82Å; K107-W288 HydrophobicContact CD-CH2 3.72Å; K107-W288 HydrophobicContact CD-CZ3 3.66Å; K107-W288 HydrophobicContact CG-CH2 4.2Å; K107-W288 HydrophobicContact CG-CZ3 4.39Å; K107-D294 IonicContact NZ-OD1 3.24Å; K107-D294 PolarHBondContact NZ-OD1 2.86Å; K107-D294 IonicContact NZ-OD2 2.72Å; K107-D294 PolarHBondContact NZ-OD2 2.94Å
108P96.2Very high97.2Very high28 Ų2828.6 Ų28.618%0.18218%0.175CC..THydrogen-bonded Turntrans-77.117177.3-10.228.1000114.8M106 R284 Y285 W288M106-P108 VanDerWaalsContact C-CD 3.41Å; M106-P108 VanDerWaalsContact C-N 3.31Å; P108-R284 HydrophobicContact CB-CG 3.96Å; P108-R284 HydrophobicContact CG-CG 4.45Å; P108-R284 PolarHBondContact O-NH1 2.97Å; P108-Y285 HydrophobicContact CG-CD2 4.09Å; P108-W288 HydrophobicContact CB-CB 3.8Å; P108-W288 HydrophobicContact CB-CD2 4.39Å; P108-W288 HydrophobicContact CB-CG 3.78Å; P108-W288 HydrophobicContact CG-CB 3.82Å; P108-W288 HydrophobicContact CG-CD2 4.09Å; P108-W288 HydrophobicContact CG-CE3 4.38Å; P108-W288 HydrophobicContact CG-CG 3.86Å
109G95.9Very high97.3Very high25 Ų2527.9 Ų27.926%0.25817%0.167SC..SBendtrans99.1179.5-179.800000115.1M106 K107 R284M106-G109 CarbonylContact O-C 3.59Å; M106-G109 WeakPolarHBondContact O-CA 3.47Å; M106-G109 PolarHBondContact O-N 3.01Å; K107-G109 PolarHBondContact O-N 3.49Å; G109-R284 VanDerWaalsContact O-CZ 3.31Å; G109-R284 PolarHBondContact O-NH1 3.31Å; G109-R284 PolarHBondContact O-NH2 3.38Å
110P96.8Very high97.4Very high116 Ų11627.8 Ų27.875%0.75317%0.167SC*.PPolyproline II helixtrans-54.4145.3-165.7-28.935.8000116
111I97.9Very high97.6Very high9 Ų929.2 Ų29.25%0.04617%0.166CC..PPolyproline II helixtrans-93.3128178.5-61.8-179000110.4L105 M106 H115 I116 L207 L281L105-I111 HydrophobicContact CB-CD1 4.37Å; M106-I111 HydrophobicContact CG-CD1 3.48Å; M106-I111 VanDerWaalsContact CG-CD1 3.48Å; M106-I111 HydrophobicContact CG-CG1 4Å; I111-H115 HydrophobicContact CG2-CB 3.63Å; I111-I116 HydrophobicContact CB-CG1 4.1Å; I111-I116 HydrophobicContact CG2-CG1 3.68Å; I111-I116 WeakPolarHBondContact O-CD1 3.46Å; I111-L207 HydrophobicContact CD1-CD2 4.36Å; I111-L281 HydrophobicContact CD1-CD1 4.28Å; I111-L281 HydrophobicContact CG1-CD1 4.41Å; I111-L281 HydrophobicContact CG2-CD1 3.8Å; I111-L281 HydrophobicContact CG2-CD2 4.41Å
112P96.7Very high97.7Very high64 Ų6429.1 Ų29.142%0.41617%0.165SC..PPolyproline II helixtrans-65.5143.6175.4-23.933.5000114V114 H115 I116P112-V114 HydrophobicContact CB-CG1 4.17Å; P112-V114 PolarHBondContact O-N 2.7Å; P112-H115 WeakPolarHBondContact O-CA 3.25Å; P112-H115 WeakPolarHBondContact O-CB 3.29Å; P112-H115 PolarHBondContact O-N 3.35Å; P112-I116 PolarHBondContact O-N 3.19Å; P112-I116 VanDerWaalsContact O-N 3.16Å
113E97.9Very high97.7Very high47 Ų4729.1 Ų29.122%0.2217%0.165CC..Hα-helixtrans-49.5-32.4-178.7-78.4-168.4-158.600115.1H115 I116 S117 F238 S239 F242 F268E113-H115 VanDerWaalsContact C-N 3.28Å; E113-H115 PolarHBondContact O-N 2.85Å; E113-I116 PolarHBondContact O-N 3.1Å; E113-S117 WeakPolarHBondContact O-CB 3.4Å; E113-S117 PolarHBondContact O-N 3.22Å; E113-S117 PolarHBondContact O-OG 3.29Å; E113-F238 HydrophobicContact CG-CD1 4.5Å; E113-F238 WeakPolarHBondContact OE1-CA 3.42Å; E113-S239 PolarHBondContact OE1-N 3.07Å; E113-S239 PolarHBondContact OE1-OG 3.44Å; E113-S239 VanDerWaalsContact OE2-CB 3.3Å; E113-S239 WeakPolarHBondContact OE2-CB 3.33Å; E113-S239 PolarHBondContact OE2-OG 3.29Å; E113-F242 HydrophobicContact CG-CD1 3.62Å; E113-F242 HydrophobicContact CG-CE1 4.1Å; E113-F242 HydrophobicContact CG-CG 4.46Å; E113-F268 HydrophobicContact CB-CE2 4.13Å; E113-F268 HydrophobicContact CB-CZ 4.32Å; E113-F268 HydrophobicContact CG-CE2 4.31Å; E113-F268 HydrophobicContact CG-CZ 4.48Å
114V96.9Very high97.8Very high52 Ų5225.7 Ų25.732%0.31515%0.147SC..Hα-helixtrans-66-30.2178.264.40000112.5P112 S117 T118 R273 F277P112-V114 HydrophobicContact CB-CG1 4.17Å; P112-V114 PolarHBondContact O-N 2.7Å; V114-S117 PolarHBondContact O-OG 3.31Å; V114-T118 PolarHBondContact O-OG1 3.48Å; V114-R273 HydrophobicContact CG2-CG 3.34Å; V114-F277 HydrophobicContact CG1-CE1 3.98Å; V114-F277 HydrophobicContact CG2-CE1 4.17Å
115H98.2Very high97.9Very high2 Ų226.4 Ų26.41%0.00915%0.148CC..Hα-helixtrans-82.2-44.1171.6-58.6106.5000110.9I111 P112 E113 S117 T118 I119 F277 L278 E280 L281I111-H115 HydrophobicContact CG2-CB 3.63Å; P112-H115 WeakPolarHBondContact O-CA 3.25Å; P112-H115 WeakPolarHBondContact O-CB 3.29Å; P112-H115 PolarHBondContact O-N 3.35Å; E113-H115 VanDerWaalsContact C-N 3.28Å; E113-H115 PolarHBondContact O-N 2.85Å; H115-S117 PolarHBondContact O-N 3.45Å; H115-T118 CarbonylContact O-C 3.56Å; H115-T118 WeakPolarHBondContact O-CA 3.42Å; H115-T118 WeakPolarHBondContact O-CB 3.4Å; H115-T118 PolarHBondContact O-N 2.95Å; H115-I119 PolarHBondContact O-N 3.48Å; H115-F277 AromaticContact CD2-CD1 3.72Å; H115-F277 AromaticContact CE1-CE1 3.9Å; H115-F277 AromaticContact NE2-CD1 3.5Å; H115-F277 AromaticContact NE2-CE1 3.43Å; H115-F277 WeakPolarHBondContact NE2-CE1 3.43Å; H115-L278 HydrophobicContact CB-CD2 3.89Å; H115-E280 IonicContact CE1-OE1 3.4Å; H115-L281 HydrophobicContact CB-CD1 3.69Å; H115-L281 HydrophobicContact CB-CG 4.35Å
116I98.7Very high97.9Very high0 Ų026.4 Ų26.40%015%0.148CC..Hα-helixtrans-57.2-48.8178.3-54.5176.5000111.2I111 P112 E113 T118 I119 L120 L207 A208 F242I111-I116 HydrophobicContact CB-CG1 4.1Å; I111-I116 HydrophobicContact CG2-CG1 3.68Å; I111-I116 WeakPolarHBondContact O-CD1 3.46Å; P112-I116 PolarHBondContact O-N 3.19Å; P112-I116 VanDerWaalsContact O-N 3.16Å; E113-I116 PolarHBondContact O-N 3.1Å; I116-T118 PolarHBondContact O-N 3.5Å; I116-I119 PolarHBondContact O-N 2.7Å; I116-L120 HydrophobicContact CG2-CD1 3.64Å; I116-L120 HydrophobicContact CG2-CG 4.2Å; I116-L120 WeakPolarHBondContact O-CB 3.35Å; I116-L120 WeakPolarHBondContact O-CG 3.37Å; I116-L120 PolarHBondContact O-N 3.47Å; I116-L207 HydrophobicContact CD1-CB 4.49Å; I116-L207 VanDerWaalsContact CD1-O 3.26Å; I116-L207 WeakPolarHBondContact CD1-O 3.35Å; I116-L207 HydrophobicContact CG1-CB 4.32Å; I116-L207 HydrophobicContact CG2-CB 3.87Å; I116-L207 HydrophobicContact CG2-CD1 4.2Å; I116-A208 HydrophobicContact CD1-CB 4.05Å; I116-F242 HydrophobicContact CB-CZ 4.48Å; I116-F242 HydrophobicContact CD1-CE1 3.88Å; I116-F242 HydrophobicContact CD1-CZ 4.07Å; I116-F242 HydrophobicContact CG2-CE1 4.46Å; I116-F242 HydrophobicContact CG2-CE2 4.23Å; I116-F242 HydrophobicContact CG2-CZ 3.73Å
117S98.6Very high97.9Very high2 Ų225.6 Ų25.61%0.01414%0.144CC..Hα-helixtrans-60.1-30.6175.4520000112.8E113 V114 H115 R121 A272E113-S117 WeakPolarHBondContact O-CB 3.4Å; E113-S117 PolarHBondContact O-N 3.22Å; E113-S117 PolarHBondContact O-OG 3.29Å; V114-S117 PolarHBondContact O-OG 3.31Å; H115-S117 PolarHBondContact O-N 3.45Å; S117-R121 WeakPolarHBondContact O-CB 3.3Å; S117-R121 PolarHBondContact O-N 3.02Å; S117-A272 WeakPolarHBondContact O-CB 3.2Å
118T98.7Very high98Very high0 Ų023.8 Ų23.80%014%0.138CC..Hα-helixtrans-73.7-44.6176.1-56.70000111.7V114 H115 I116 R121 E122 R273 L278V114-T118 PolarHBondContact O-OG1 3.48Å; H115-T118 CarbonylContact O-C 3.56Å; H115-T118 WeakPolarHBondContact O-CA 3.42Å; H115-T118 WeakPolarHBondContact O-CB 3.4Å; H115-T118 PolarHBondContact O-N 2.95Å; I116-T118 PolarHBondContact O-N 3.5Å; T118-R121 PolarHBondContact O-N 3Å; T118-E122 PolarHBondContact O-N 3.18Å; T118-R273 PolarHBondContact OG1-N 3.01Å; T118-L278 HydrophobicContact CG2-CD1 4.17Å; T118-L278 HydrophobicContact CG2-CD2 3.94Å; T118-L278 HydrophobicContact CG2-CG 4.01Å
119I98.8Very high98.1Very high0 Ų024.7 Ų24.70%014%0.138CC..Hα-helixtrans-61.4-52.3174.2-67.8162.7000110.4H115 I116 R121 E122 I123 V145 V153 L207 L278 L281H115-I119 PolarHBondContact O-N 3.48Å; I116-I119 PolarHBondContact O-N 2.7Å; I119-R121 VanDerWaalsContact C-N 3.28Å; I119-R121 PolarHBondContact O-N 2.62Å; I119-E122 PolarHBondContact O-N 3.03Å; I119-E122 VanDerWaalsContact O-N 3.09Å; I119-I123 HydrophobicContact CG2-CD1 3.78Å; I119-I123 HydrophobicContact CG2-CG1 4.42Å; I119-I123 WeakPolarHBondContact O-CG1 3.41Å; I119-I123 PolarHBondContact O-N 3.26Å; I119-V145 HydrophobicContact CG2-CG1 4.07Å; I119-V153 HydrophobicContact CG1-CG2 4.47Å; I119-V153 HydrophobicContact CG2-CG1 4.41Å; I119-L207 HydrophobicContact CB-CD1 4.48Å; I119-L207 HydrophobicContact CG2-CD1 3.84Å; I119-L278 HydrophobicContact CG1-CD1 3.69Å; I119-L278 HydrophobicContact CG1-CD2 4.16Å; I119-L281 HydrophobicContact CD1-CD1 4.44Å
120L98.9Very high98.1Very high0 Ų023.5 Ų23.50%013%0.126CC..Hα-helixtrans-61.1-33.3179.4-71.9168.8000112.8I116 E122 I123 L124 T200 A204 L207 F242 F245 F268 I269I116-L120 HydrophobicContact CG2-CD1 3.64Å; I116-L120 HydrophobicContact CG2-CG 4.2Å; I116-L120 WeakPolarHBondContact O-CB 3.35Å; I116-L120 WeakPolarHBondContact O-CG 3.37Å; I116-L120 PolarHBondContact O-N 3.47Å; L120-E122 VanDerWaalsContact C-N 3.35Å; L120-E122 PolarHBondContact O-N 3.1Å; L120-I123 HydrophobicContact CD2-CD1 4.16Å; L120-L124 WeakPolarHBondContact O-CB 3.21Å; L120-L124 WeakPolarHBondContact O-CD1 3.32Å; L120-L124 WeakPolarHBondContact O-CG 3.14Å; L120-L124 PolarHBondContact O-N 3.02Å; L120-T200 HydrophobicContact CD2-CG2 3.89Å; L120-A204 HydrophobicContact CD1-CB 3.72Å; L120-A204 HydrophobicContact CD2-CB 4.07Å; L120-L207 HydrophobicContact CD2-CD1 4.34Å; L120-L207 HydrophobicContact CG-CD1 4.32Å; L120-F242 HydrophobicContact CD1-CE2 4.27Å; L120-F245 HydrophobicContact CD1-CD1 4.36Å; L120-F245 HydrophobicContact CD1-CE1 3.78Å; L120-F245 HydrophobicContact CD1-CZ 4.36Å; L120-F245 HydrophobicContact CD2-CE1 4.48Å; L120-F268 HydrophobicContact CD1-CE1 4.04Å; L120-I269 HydrophobicContact CB-CD1 3.82Å
121R98.8Very high98Very high47 Ų4719 Ų1918%0.17710%0.095CC..Hα-helixtrans-61.3-44.1174.2-171-175.665.2-142.1-16.5111.5S117 T118 I119 L124 K125 L264 I269 A272 R273S117-R121 WeakPolarHBondContact O-CB 3.3Å; S117-R121 PolarHBondContact O-N 3.02Å; T118-R121 PolarHBondContact O-N 3Å; I119-R121 VanDerWaalsContact C-N 3.28Å; I119-R121 PolarHBondContact O-N 2.62Å; R121-L124 PolarHBondContact O-N 3Å; R121-K125 WeakPolarHBondContact O-CG 3.34Å; R121-K125 PolarHBondContact O-N 3.33Å; R121-K125 VanDerWaalsContact O-N 3.13Å; R121-L264 HydrophobicContact CG-CD2 4.04Å; R121-L264 WeakPolarHBondContact O-CD2 3.46Å; R121-I269 HydrophobicContact CB-CG2 3.76Å; R121-I269 HydrophobicContact CG-CG2 3.58Å; R121-A272 HydrophobicContact CB-CB 4.18Å; R121-A272 PolarHBondContact NH1-O 3.32Å; R121-A272 VanDerWaalsContact NH1-O 3.07Å; R121-R273 VanDerWaalsContact CZ-O 3.23Å; R121-R273 PolarHBondContact NH1-O 3.31Å; R121-R273 PolarHBondContact NH2-O 2.88Å
122E98.8Very high97.9Very high8 Ų822.1 Ų22.14%0.03712%0.118CC..Hα-helixtrans-73.5-38.2-179.2-54.7-45.9119.200111.8Y76 T118 I119 L120 L124 K125 G126 V153 T275Y76-E122 VanDerWaalsContact CE1-OE2 3.25Å; Y76-E122 WeakPolarHBondContact CE1-OE2 3.43Å; T118-E122 PolarHBondContact O-N 3.18Å; I119-E122 PolarHBondContact O-N 3.03Å; I119-E122 VanDerWaalsContact O-N 3.09Å; L120-E122 VanDerWaalsContact C-N 3.35Å; L120-E122 PolarHBondContact O-N 3.1Å; E122-L124 VanDerWaalsContact C-N 3.3Å; E122-L124 PolarHBondContact O-N 2.87Å; E122-K125 PolarHBondContact O-N 3.21Å; E122-K125 VanDerWaalsContact O-N 3.12Å; E122-K125 WeakPolarHBondContact OE1-CE 3.27Å; E122-K125 IonicContact OE1-NZ 3.91Å; E122-K125 PolarHBondContact OE1-NZ 3.34Å; E122-K125 WeakPolarHBondContact OE2-CE 3.43Å; E122-K125 IonicContact OE2-NZ 2.64Å; E122-K125 PolarHBondContact OE2-NZ 3.01Å; E122-G126 PolarHBondContact O-N 2.91Å; E122-V153 HydrophobicContact CB-CB 3.69Å; E122-V153 HydrophobicContact CB-CG1 4.19Å; E122-V153 HydrophobicContact CB-CG2 4.36Å; E122-V153 HydrophobicContact CG-CB 4.05Å; E122-V153 HydrophobicContact CG-CG2 4.26Å; E122-T275 HydrophobicContact CG-CG2 3.92Å
123I98.8Very high97.7Very high1 Ų124.2 Ų24.21%0.00512%0.122CC..Hα-helixtrans-51.8-50.6168.3-69.7168.6000110.1I119 L120 K125 G126 L127 V145 L155 T200 T203I119-I123 HydrophobicContact CG2-CD1 3.78Å; I119-I123 HydrophobicContact CG2-CG1 4.42Å; I119-I123 WeakPolarHBondContact O-CG1 3.41Å; I119-I123 PolarHBondContact O-N 3.26Å; L120-I123 HydrophobicContact CD2-CD1 4.16Å; I123-K125 VanDerWaalsContact C-N 3.3Å; I123-K125 PolarHBondContact O-N 2.7Å; I123-G126 CarbonylContact O-C 3.6Å; I123-G126 WeakPolarHBondContact O-CA 3.47Å; I123-G126 PolarHBondContact O-N 3.07Å; I123-L127 HydrophobicContact CG2-CD1 4.2Å; I123-L127 HydrophobicContact CG2-CG 4.45Å; I123-L127 PolarHBondContact O-N 3.31Å; I123-V145 HydrophobicContact CD1-CB 4.47Å; I123-V145 HydrophobicContact CD1-CG1 3.97Å; I123-V145 HydrophobicContact CD1-CG2 3.7Å; I123-V145 HydrophobicContact CG1-CG1 3.96Å; I123-V145 HydrophobicContact CG1-CG2 3.93Å; I123-L155 HydrophobicContact CB-CD2 4.39Å; I123-L155 HydrophobicContact CG1-CD2 4.09Å; I123-L155 HydrophobicContact CG2-CD2 4.22Å; I123-T200 HydrophobicContact CG2-CG2 4.21Å; I123-T203 HydrophobicContact CD1-CG2 4.47Å
124L98.9Very high97.3Very high0 Ų027.7 Ų27.70%015%0.151CC..Hα-helixtrans-64.1-30.8-179.8-72.4168.4000113.2L120 R121 E122 D128 T200 F245 A260 L263 L264 I269L120-L124 WeakPolarHBondContact O-CB 3.21Å; L120-L124 WeakPolarHBondContact O-CD1 3.32Å; L120-L124 WeakPolarHBondContact O-CG 3.14Å; L120-L124 PolarHBondContact O-N 3.02Å; R121-L124 PolarHBondContact O-N 3Å; E122-L124 VanDerWaalsContact C-N 3.3Å; E122-L124 PolarHBondContact O-N 2.87Å; L124-D128 VanDerWaalsContact O-CB 3.29Å; L124-D128 WeakPolarHBondContact O-CB 3.36Å; L124-D128 PolarHBondContact O-N 3.47Å; L124-T200 HydrophobicContact CD2-CG2 4.32Å; L124-F245 HydrophobicContact CD1-CE2 3.94Å; L124-F245 HydrophobicContact CD1-CZ 4.02Å; L124-A260 HydrophobicContact CD2-CB 4.13Å; L124-L263 HydrophobicContact CD1-CB 3.76Å; L124-L263 HydrophobicContact CD2-CB 3.78Å; L124-L263 HydrophobicContact CD2-CD1 3.81Å; L124-L263 HydrophobicContact CD2-CG 4.47Å; L124-L263 HydrophobicContact CG-CB 4.42Å; L124-L264 HydrophobicContact CB-CD2 3.62Å; L124-L264 HydrophobicContact CB-CG 3.92Å; L124-I269 HydrophobicContact CD1-CD1 3.83Å; L124-I269 HydrophobicContact CD1-CG1 3.81Å
125K98.8Very high97Very high53 Ų5326.4 Ų26.423%0.2314%0.142CC..Hα-helixtrans-71.6-35.6171.2-64175.6-164.2168.60112.3Y76 R121 E122 I123 Y129 L264Y76-K125 HydrophobicContact CD1-CB 4.1Å; Y76-K125 HydrophobicContact CD1-CD 4.11Å; Y76-K125 HydrophobicContact CD2-CB 3.58Å; Y76-K125 HydrophobicContact CD2-CD 4.42Å; Y76-K125 HydrophobicContact CE1-CB 4.21Å; Y76-K125 HydrophobicContact CE1-CD 3.48Å; Y76-K125 VanDerWaalsContact CE1-CD 3.48Å; Y76-K125 HydrophobicContact CE2-CB 3.69Å; Y76-K125 HydrophobicContact CE2-CD 3.83Å; Y76-K125 HydrophobicContact CE2-CG 4.35Å; Y76-K125 HydrophobicContact CG-CB 3.8Å; Y76-K125 WeakPolarHBondContact OH-CD 3.39Å; R121-K125 WeakPolarHBondContact O-CG 3.34Å; R121-K125 PolarHBondContact O-N 3.33Å; R121-K125 VanDerWaalsContact O-N 3.13Å; E122-K125 PolarHBondContact O-N 3.21Å; E122-K125 VanDerWaalsContact O-N 3.12Å; E122-K125 WeakPolarHBondContact OE1-CE 3.27Å; E122-K125 IonicContact OE1-NZ 3.91Å; E122-K125 PolarHBondContact OE1-NZ 3.34Å; E122-K125 WeakPolarHBondContact OE2-CE 3.43Å; E122-K125 IonicContact OE2-NZ 2.64Å; E122-K125 PolarHBondContact OE2-NZ 3.01Å; I123-K125 VanDerWaalsContact C-N 3.3Å; I123-K125 PolarHBondContact O-N 2.7Å; K125-Y129 WeakPolarHBondContact O-CB 3.46Å; K125-Y129 PolarHBondContact O-N 3.14Å; K125-L264 HydrophobicContact CG-CD1 4.26Å; K125-L264 HydrophobicContact CG-CD2 3.85Å
126G98.1Very high96.6Very high0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-61.1-46.7171.200000111.5E122 I123 Y129 L130E122-G126 PolarHBondContact O-N 2.91Å; I123-G126 CarbonylContact O-C 3.6Å; I123-G126 WeakPolarHBondContact O-CA 3.47Å; I123-G126 PolarHBondContact O-N 3.07Å; G126-Y129 WeakPolarHBondContact O-CB 3.36Å; G126-Y129 PolarHBondContact O-N 3.46Å; G126-L130 VanDerWaalsContact O-CG 3.3Å; G126-L130 WeakPolarHBondContact O-CG 3.44Å; G126-L130 PolarHBondContact O-N 3.39Å
127L98Very high96.2Very high0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-66.6-45.7175.7-66.6-177000112.7I123 Y129 L130 H131 H137 I140 L155 D196 I197 T200 A260I123-L127 HydrophobicContact CG2-CD1 4.2Å; I123-L127 HydrophobicContact CG2-CG 4.45Å; I123-L127 PolarHBondContact O-N 3.31Å; L127-Y129 VanDerWaalsContact C-N 3.25Å; L127-Y129 PolarHBondContact O-N 3.43Å; L127-L130 HydrophobicContact CD2-CD1 4.45Å; L127-L130 PolarHBondContact O-N 2.71Å; L127-H131 VanDerWaalsContact O-CB 3.28Å; L127-H131 WeakPolarHBondContact O-CB 3.36Å; L127-H131 PolarHBondContact O-CD2 3.41Å; L127-H131 VanDerWaalsContact O-CD2 3.31Å; L127-H131 PolarHBondContact O-N 2.85Å; L127-H137 HydrophobicContact CD2-CB 4.17Å; L127-I140 HydrophobicContact CD2-CD1 3.97Å; L127-I140 HydrophobicContact CD2-CG1 4.25Å; L127-L155 HydrophobicContact CD2-CD1 3.92Å; L127-L155 HydrophobicContact CG-CD1 4.23Å; L127-D196 HydrophobicContact CD1-CB 3.99Å; L127-D196 HydrophobicContact CD2-CB 3.82Å; L127-I197 HydrophobicContact CD1-CD1 4.48Å; L127-T200 WeakPolarHBondContact CD1-OG1 3.3Å; L127-A260 HydrophobicContact CB-CB 3.82Å
128D98.4Very high95.8Very high45 Ų4530.7 Ų30.724%0.24116%0.16CC..Hα-helixtrans-56.9-41.1176.4-162.529.3000111L124 S132 A260 H261 L264L124-D128 VanDerWaalsContact O-CB 3.29Å; L124-D128 WeakPolarHBondContact O-CB 3.36Å; L124-D128 PolarHBondContact O-N 3.47Å; D128-S132 VanDerWaalsContact O-CB 3.26Å; D128-S132 WeakPolarHBondContact O-CB 3.35Å; D128-S132 PolarHBondContact O-N 2.88Å; D128-S132 PolarHBondContact O-OG 2.96Å; D128-A260 HydrophobicContact CB-CB 4.15Å; D128-H261 VanDerWaalsContact OD1-CB 3.27Å; D128-H261 WeakPolarHBondContact OD1-CB 3.45Å; D128-H261 IonicContact OD1-CG 3.38Å; D128-H261 IonicContact OD1-ND1 3.69Å; D128-H261 PolarHBondContact OD1-ND1 3.23Å; D128-H261 IonicContact OD2-CE1 2.68Å; D128-H261 IonicContact OD2-CG 2.67Å; D128-H261 IonicContact OD2-ND1 3.12Å; D128-H261 PolarHBondContact OD2-ND1 3.21Å; D128-L264 HydrophobicContact CB-CD1 4.11Å
129Y97.6Very high95.3Very high47 Ų4731.9 Ų31.918%0.18417%0.166CC..Hα-helixtrans-60.1-53.7170.6170.1-103.3000112.5C72 N73 S74 I77 K125 G126 L127 H131 S132 Q133C72-Y129 HydrophobicContact CB-CE1 4.27Å; N73-Y129 PolarHBondContact N-OH 3.15Å; S74-Y129 VanDerWaalsContact CB-CD1 3.48Å; I77-Y129 HydrophobicContact CD1-CD1 4.44Å; I77-Y129 HydrophobicContact CG1-CD1 3.85Å; I77-Y129 HydrophobicContact CG1-CE1 4.09Å; K125-Y129 WeakPolarHBondContact O-CB 3.46Å; K125-Y129 PolarHBondContact O-N 3.14Å; G126-Y129 WeakPolarHBondContact O-CB 3.36Å; G126-Y129 PolarHBondContact O-N 3.46Å; L127-Y129 VanDerWaalsContact C-N 3.25Å; L127-Y129 PolarHBondContact O-N 3.43Å; Y129-H131 PolarHBondContact O-N 3.25Å; Y129-S132 PolarHBondContact O-N 3.16Å; Y129-S132 PolarHBondContact O-OG 2.78Å; Y129-Q133 HydrophobicContact CE2-CG 4.18Å; Y129-Q133 WeakPolarHBondContact O-CG 3.39Å; Y129-Q133 PolarHBondContact O-N 3.28Å
130L94.8Very high95.2Very high0 Ų031.9 Ų31.90%017%0.166CC..Hα-helixtrans-63-44.6-177.2-69.9172.5000112.8I77 G126 L127 S132 Q133 S134 K135 H137 L155 F158I77-L130 HydrophobicContact CD1-CD1 3.78Å; I77-L130 HydrophobicContact CD1-CD2 4.14Å; I77-L130 HydrophobicContact CD1-CG 3.88Å; G126-L130 VanDerWaalsContact O-CG 3.3Å; G126-L130 WeakPolarHBondContact O-CG 3.44Å; G126-L130 PolarHBondContact O-N 3.39Å; L127-L130 HydrophobicContact CD2-CD1 4.45Å; L127-L130 PolarHBondContact O-N 2.71Å; L130-S132 VanDerWaalsContact C-N 3.32Å; L130-S132 PolarHBondContact O-N 2.59Å; L130-Q133 CarbonylContact O-C 3.54Å; L130-Q133 WeakPolarHBondContact O-CA 3.32Å; L130-Q133 PolarHBondContact O-N 2.86Å; L130-S134 PolarHBondContact O-N 3.08Å; L130-K135 CarbonylContact C-O 3.54Å; L130-K135 HydrophobicContact CB-CB 4.16Å; L130-K135 HydrophobicContact CD2-CB 4.09Å; L130-K135 HydrophobicContact CD2-CD 3.94Å; L130-K135 WeakPolarHBondContact O-CB 3.32Å; L130-K135 PolarHBondContact O-N 3.38Å; L130-H137 HydrophobicContact CD1-CB 4.31Å; L130-L155 HydrophobicContact CD1-CD1 4.06Å; L130-F158 HydrophobicContact CD1-CE1 3.59Å; L130-F158 HydrophobicContact CD1-CZ 4.04Å; L130-F158 HydrophobicContact CD2-CE1 3.56Å; L130-F158 HydrophobicContact CD2-CZ 3.84Å; L130-F158 HydrophobicContact CG-CE1 4.23Å
131H95.1Very high95Very high22 Ų2233.3 Ų33.310%0.10217%0.172CC..Hα-helixtrans-65.4-37.8-178.9-60.3178.3000110.3L127 Y129 Q133 S134 K135 F193 D196L127-H131 VanDerWaalsContact O-CB 3.28Å; L127-H131 WeakPolarHBondContact O-CB 3.36Å; L127-H131 PolarHBondContact O-CD2 3.41Å; L127-H131 VanDerWaalsContact O-CD2 3.31Å; L127-H131 PolarHBondContact O-N 2.85Å; Y129-H131 PolarHBondContact O-N 3.25Å; H131-Q133 PolarHBondContact O-N 2.73Å; H131-S134 PolarHBondContact O-N 2.97Å; H131-S134 VanDerWaalsContact O-N 3.08Å; H131-K135 PolarHBondContact CD2-O 3.24Å; H131-F193 HydrophobicContact CB-CB 4.31Å; H131-F193 HydrophobicContact CB-CD2 4.14Å; H131-F193 HydrophobicContact CB-CG 4.18Å; H131-F193 AromaticContact CE1-CD2 3.83Å; H131-F193 PolarHBondContact CE1-O 3.23Å; H131-F193 AromaticContact CG-CD2 3.76Å; H131-F193 AromaticContact CG-CG 3.91Å; H131-F193 AromaticContact ND1-CD2 3.34Å; H131-F193 VanDerWaalsContact ND1-CD2 3.34Å; H131-F193 WeakPolarHBondContact ND1-CD2 3.49Å; H131-F193 AromaticContact ND1-CG 3.95Å; H131-D196 IonicContact CD2-OD2 2.76Å; H131-D196 IonicContact CE1-OD2 2.62Å; H131-D196 IonicContact NE2-OD2 2.67Å; H131-D196 PolarHBondContact NE2-OD2 2.74Å
132S95.9Very high94.9Very high75 Ų7531 Ų3152%0.52416%0.164SC..Hα-helixtrans-63.8-17.3171.582.20000114.4D128 Y129 L130D128-S132 VanDerWaalsContact O-CB 3.26Å; D128-S132 WeakPolarHBondContact O-CB 3.35Å; D128-S132 PolarHBondContact O-N 2.88Å; D128-S132 PolarHBondContact O-OG 2.96Å; Y129-S132 PolarHBondContact O-N 3.16Å; Y129-S132 PolarHBondContact O-OG 2.78Å; L130-S132 VanDerWaalsContact C-N 3.32Å; L130-S132 PolarHBondContact O-N 2.59Å
133Q92.4Very high94.6Very high108 Ų10832.2 Ų32.251%0.50518%0.175SC..THydrogen-bonded Turntrans-104.613.6176.9-59.7-60.3-84.200112.4Y129 L130 H131 K135Y129-Q133 HydrophobicContact CE2-CG 4.18Å; Y129-Q133 WeakPolarHBondContact O-CG 3.39Å; Y129-Q133 PolarHBondContact O-N 3.28Å; L130-Q133 CarbonylContact O-C 3.54Å; L130-Q133 WeakPolarHBondContact O-CA 3.32Å; L130-Q133 PolarHBondContact O-N 2.86Å; H131-Q133 PolarHBondContact O-N 2.73Å; Q133-K135 HydrophobicContact CB-CD 4.24Å; Q133-K135 HydrophobicContact CB-CG 4.33Å; Q133-K135 PolarHBondContact O-N 3.22Å
134S90.5Very high94.4Very high119 Ų11932.8 Ų32.883%0.83218%0.178SC*.THydrogen-bonded Turntrans56.128.9-174.9-56.10000114L130 H131L130-S134 PolarHBondContact O-N 3.08Å; H131-S134 PolarHBondContact O-N 2.97Å; H131-S134 VanDerWaalsContact O-N 3.08Å
135K89.7Confident94.3Very high26 Ų2632.8 Ų32.811%0.11318%0.178CC..  trans-100.1149.4173.5-63.3172.9-178.9-1740109.5V68 Q71 C72 L130 H131 Q133V68-K135 HydrophobicContact CG1-CD 4.19Å; V68-K135 PolarHBondContact O-NZ 3.39Å; Q71-K135 VanDerWaalsContact CB-NZ 3.34Å; Q71-K135 PolarHBondContact O-NZ 3.25Å; C72-K135 PolarHBondContact SG-NZ 3.42Å; L130-K135 CarbonylContact C-O 3.54Å; L130-K135 HydrophobicContact CB-CB 4.16Å; L130-K135 HydrophobicContact CD2-CB 4.09Å; L130-K135 HydrophobicContact CD2-CD 3.94Å; L130-K135 WeakPolarHBondContact O-CB 3.32Å; L130-K135 PolarHBondContact O-N 3.38Å; H131-K135 PolarHBondContact CD2-O 3.24Å; Q133-K135 HydrophobicContact CB-CD 4.24Å; Q133-K135 HydrophobicContact CB-CG 4.33Å; Q133-K135 PolarHBondContact O-N 3.22Å
136I89.9Confident94.3Very high35 Ų3532.3 Ų32.318%0.17918%0.177CC..  trans-128.1134177.8-52.2173.5000106.3R138 F193 V195 D196I136-R138 HydrophobicContact CB-CG 4.2Å; I136-R138 HydrophobicContact CG2-CG 3.7Å; I136-F193 HydrophobicContact CG1-CB 4.14Å; I136-V195 HydrophobicContact CG2-CG2 3.54Å; I136-D196 WeakPolarHBondContact CG2-OD1 3.5Å
137H91.6Very high94.3Very high0 Ų032.3 Ų32.30%018%0.177CC..  trans-81.8-34.2-175.7-161.6-80.1000113.3L127 L130 D139 I140 A156 D157 F158 G159 D196L127-H137 HydrophobicContact CD2-CB 4.17Å; L130-H137 HydrophobicContact CD1-CB 4.31Å; H137-D139 PolarHBondContact CE1-O 3Å; H137-D139 VanDerWaalsContact CE1-O 3.29Å; H137-D139 PolarHBondContact ND1-O 2.86Å; H137-D139 PolarHBondContact O-N 3.06Å; H137-I140 HydrophobicContact CB-CD1 3.8Å; H137-I140 HydrophobicContact CB-CG1 3.85Å; H137-I140 VanDerWaalsContact CG-CD1 3.46Å; H137-I140 WeakPolarHBondContact ND1-CD1 3.19Å; H137-A156 PolarHBondContact CE1-O 3.06Å; H137-A156 PolarHBondContact NE2-O 3.34Å; H137-D157 PolarHBondContact CE1-O 2.85Å; H137-F158 AromaticContact CD2-CD1 3.75Å; H137-F158 AromaticContact CD2-CE1 3.67Å; H137-G159 VanDerWaalsContact O-CA 3.28Å; H137-G159 WeakPolarHBondContact O-CA 3.06Å; H137-G159 PolarHBondContact O-N 3.26Å; H137-D196 PolarHBondContact N-OD1 2.73Å; H137-D196 PolarHBondContact N-OD2 3.37Å
138R89.1Confident94.3Very high59 Ų5933.1 Ų33.122%0.22318%0.183CC..  trans64.9-32.5175.6-49.1-177.4-170.9-140.8-7.7116.3I136 G159 Y191 D196I136-R138 HydrophobicContact CB-CG 4.2Å; I136-R138 HydrophobicContact CG2-CG 3.7Å; R138-G159 WeakPolarHBondContact CD-O 3.39Å; R138-Y191 PolarHBondContact NH1-OH 2.98Å; R138-D196 PolarHBondContact N-OD1 3.02Å
139D89.4Confident94.2Very high24 Ų2437.8 Ų37.813%0.12820%0.199CC..  trans-119.774.2179.9-164.313.2000110.3H137 K141 N144H137-D139 PolarHBondContact CE1-O 3Å; H137-D139 VanDerWaalsContact CE1-O 3.29Å; H137-D139 PolarHBondContact ND1-O 2.86Å; H137-D139 PolarHBondContact O-N 3.06Å; D139-K141 WeakPolarHBondContact OD1-CD 3.35Å; D139-K141 VanDerWaalsContact OD1-CE 3.3Å; D139-K141 WeakPolarHBondContact OD1-CE 3.47Å; D139-K141 IonicContact OD1-NZ 2.68Å; D139-K141 PolarHBondContact OD1-NZ 3.09Å; D139-K141 IonicContact OD2-NZ 3.11Å; D139-K141 PolarHBondContact OD2-NZ 3.28Å; D139-N144 VanDerWaalsContact CG-ND2 3.27Å; D139-N144 PolarHBondContact O-ND2 2.96Å; D139-N144 PolarHBondContact OD2-ND2 3.48Å
140I94.8Very high94.2Very high1 Ų138.3 Ų38.31%0.00521%0.209CC..  trans-102114.3175.7-66.8-71.9000108.8L127 H137 L155 D196 T203L127-I140 HydrophobicContact CD2-CD1 3.97Å; L127-I140 HydrophobicContact CD2-CG1 4.25Å; H137-I140 HydrophobicContact CB-CD1 3.8Å; H137-I140 HydrophobicContact CB-CG1 3.85Å; H137-I140 VanDerWaalsContact CG-CD1 3.46Å; H137-I140 WeakPolarHBondContact ND1-CD1 3.19Å; I140-L155 HydrophobicContact CD1-CD1 4.02Å; I140-L155 HydrophobicContact CD1-CD2 3.85Å; I140-L155 HydrophobicContact CD1-CG 4.49Å; I140-D196 HydrophobicContact CG1-CB 4.42Å; I140-T203 PolarHBondContact O-OG1 2.72Å
141K95.2Very high94.3Very high29 Ų2938.3 Ų38.313%0.12621%0.209CC..SBendtrans-158161.7-178.960.6-169.1175.4-144.10109.1D139 A143 N144 W180 T203D139-K141 WeakPolarHBondContact OD1-CD 3.35Å; D139-K141 VanDerWaalsContact OD1-CE 3.3Å; D139-K141 WeakPolarHBondContact OD1-CE 3.47Å; D139-K141 IonicContact OD1-NZ 2.68Å; D139-K141 PolarHBondContact OD1-NZ 3.09Å; D139-K141 IonicContact OD2-NZ 3.11Å; D139-K141 PolarHBondContact OD2-NZ 3.28Å; K141-A143 HydrophobicContact CG-CB 4.25Å; K141-A143 PolarHBondContact O-N 2.86Å; K141-A143 VanDerWaalsContact O-N 3.15Å; K141-N144 WeakPolarHBondContact CE-OD1 3.32Å; K141-N144 HydrophobicContact CG-CB 4.21Å; K141-N144 PolarHBondContact O-N 3.33Å; K141-W180 HydrophobicContact CB-CD2 3.78Å; K141-W180 VanDerWaalsContact CB-CE2 3.44Å; K141-W180 HydrophobicContact CB-CE3 4.44Å; K141-W180 HydrophobicContact CB-CG 3.99Å; K141-W180 HydrophobicContact CB-CZ2 3.9Å; K141-T203 WeakPolarHBondContact CA-OG1 3.4Å
142A97Very high94.5Very high0 Ų040.1 Ų40.10%022%0.219CC..G310 helixtrans-62.6-26.3-173.800000114.1A102 L103 M106 N144 V145 E206 L207A102-A142 HydrophobicContact CB-CB 4.11Å; A102-A142 PolarHBondContact N-O 2.68Å; A102-A142 VanDerWaalsContact N-O 3.16Å; L103-A142 HydrophobicContact CB-CB 4.1Å; L103-A142 PolarHBondContact N-O 3.38Å; M106-A142 HydrophobicContact CE-CB 4.07Å; A142-N144 VanDerWaalsContact C-N 3.34Å; A142-N144 PolarHBondContact O-N 3.07Å; A142-V145 PolarHBondContact O-N 3.13Å; A142-E206 HydrophobicContact CB-CG 4.07Å; A142-E206 WeakPolarHBondContact CB-OE1 3.05Å; A142-E206 VanDerWaalsContact N-CD 3.32Å; A142-E206 PolarHBondContact N-OE1 3.38Å; A142-E206 VanDerWaalsContact N-OE1 3.09Å; A142-E206 PolarHBondContact N-OE2 2.81Å; A142-L207 HydrophobicContact CB-CD2 4Å
143A93.3Very high94.6Very high33 Ų3336.7 Ų36.727%0.27320%0.195SC..G310 helixtrans-62.8-36.7172.800000113.2S101 L103 K141 V145S101-A143 WeakPolarHBondContact CB-O 3.21Å; L103-A143 HydrophobicContact CB-CB 4.35Å; L103-A143 HydrophobicContact CD2-CB 3.91Å; K141-A143 HydrophobicContact CG-CB 4.25Å; K141-A143 PolarHBondContact O-N 2.86Å; K141-A143 VanDerWaalsContact O-N 3.15Å; A143-V145 PolarHBondContact O-N 3.45Å
144N94.1Very high94.9Very high12 Ų1232.7 Ų32.76%0.06418%0.176CC..G310 helixtrans-87.611.7-177.3-68.315.6000112.5D139 K141 A142 A156 D157D139-N144 VanDerWaalsContact CG-ND2 3.27Å; D139-N144 PolarHBondContact O-ND2 2.96Å; D139-N144 PolarHBondContact OD2-ND2 3.48Å; K141-N144 WeakPolarHBondContact CE-OD1 3.32Å; K141-N144 HydrophobicContact CG-CB 4.21Å; K141-N144 PolarHBondContact O-N 3.33Å; A142-N144 VanDerWaalsContact C-N 3.34Å; A142-N144 PolarHBondContact O-N 3.07Å; N144-A156 PolarHBondContact O-N 2.98Å; N144-D157 PolarHBondContact ND2-O 3.05Å
145V97.3Very high95.1Very high1 Ų127 Ų271%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-116.9102.5179.7177.40000107.8S101 A102 I119 I123 A142 A143 V153 L155S101-V145 CarbonylContact C-O 3.47Å; S101-V145 VanDerWaalsContact CA-O 3.32Å; S101-V145 WeakPolarHBondContact CA-O 3.22Å; A102-V145 HydrophobicContact CB-CB 4.05Å; A102-V145 HydrophobicContact CB-CG1 4.01Å; A102-V145 PolarHBondContact N-O 2.92Å; I119-V145 HydrophobicContact CG2-CG1 4.07Å; I123-V145 HydrophobicContact CD1-CB 4.47Å; I123-V145 HydrophobicContact CD1-CG1 3.97Å; I123-V145 HydrophobicContact CD1-CG2 3.7Å; I123-V145 HydrophobicContact CG1-CG1 3.96Å; I123-V145 HydrophobicContact CG1-CG2 3.93Å; A142-V145 PolarHBondContact O-N 3.13Å; A143-V145 PolarHBondContact O-N 3.45Å; V145-V153 HydrophobicContact CG1-CG1 3.42Å; V145-V153 VanDerWaalsContact CG1-CG1 3.42Å; V145-L155 HydrophobicContact CG2-CD2 4.11Å
146L97.6Very high95.2Very high42 Ų4225.9 Ų25.922%0.2213%0.132CC..EExtended strand (participates in β ladder)trans-103150.7-172.2-58.3-174000112.1T78 L97 V153 K154 A156T78-L146 HydrophobicContact CG2-CD1 4.3Å; L97-L146 HydrophobicContact CB-CB 3.92Å; L97-L146 HydrophobicContact CD1-CB 3.53Å; L97-L146 HydrophobicContact CD1-CD1 4.36Å; L97-L146 HydrophobicContact CG-CB 4.38Å; L146-V153 WeakPolarHBondContact O-CA 3.28Å; L146-K154 PolarHBondContact N-O 2.93Å; L146-K154 PolarHBondContact O-N 2.74Å; L146-A156 HydrophobicContact CD1-CB 3.56Å; L146-A156 HydrophobicContact CG-CB 3.79Å
147L98.5Very high94.8Very high0 Ų026.5 Ų26.50%014%0.135CC..EExtended strand (participates in β ladder)trans-121.5138.7-177.1-64.794.8000113.1L97 G99 G100 A102 L105 D152 V153 L278 I282L97-L147 CarbonylContact C-O 3.58Å; L97-L147 WeakPolarHBondContact CB-O 3.44Å; L97-L147 VanDerWaalsContact O-O 3.13Å; G99-L147 WeakPolarHBondContact CA-O 3.5Å; G99-L147 PolarHBondContact N-O 3.39Å; G100-L147 PolarHBondContact O-N 2.81Å; A102-L147 HydrophobicContact CB-CD1 4.19Å; L105-L147 HydrophobicContact CD1-CD1 3.7Å; L105-L147 HydrophobicContact CD1-CD2 3.68Å; L105-L147 HydrophobicContact CD1-CG 4.23Å; L105-L147 HydrophobicContact CG-CD1 4.41Å; L147-D152 CarbonylContact C-O 3.45Å; L147-D152 WeakPolarHBondContact CA-O 3.4Å; L147-V153 HydrophobicContact CD2-CG2 3.84Å; L147-V153 HydrophobicContact CG-CG2 4.08Å; L147-L278 HydrophobicContact CD2-CB 4.25Å; L147-L278 HydrophobicContact CD2-CD1 3.74Å; L147-I282 HydrophobicContact CB-CD1 4.25Å; L147-I282 HydrophobicContact CD2-CD1 4.39Å
148S97.8Very high94.1Very high17 Ų1726.9 Ų26.912%0.11914%0.137CC..  trans-75.7160.8166.974.30000111.1S150 G151 D152 I282S148-S150 PolarHBondContact O-N 3.26Å; S148-S150 VanDerWaalsContact O-N 3.14Å; S148-S150 PolarHBondContact OG-N 3.11Å; S148-S150 PolarHBondContact OG-OG 2.93Å; S148-G151 PolarHBondContact O-N 3.13Å; S148-G151 PolarHBondContact OG-N 3.36Å; S148-D152 PolarHBondContact N-O 2.95Å; S148-D152 WeakPolarHBondContact OG-CB 3.36Å; S148-D152 PolarHBondContact OG-N 3.35Å; S148-D152 PolarHBondContact OG-OD2 2.83Å; S148-I282 WeakPolarHBondContact O-CD1 3.48Å
149Y96.5Very high93Very high144 Ų14424.5 Ų24.557%0.56513%0.131SC*.THydrogen-bonded Turntrans-58.3-23.8170.5-67.3-59.9000113.6Y96 G98 G151Y96-Y149 HydrophobicContact CE1-CE2 4.16Å; G98-Y149 VanDerWaalsContact C-CE1 3.42Å; G98-Y149 WeakPolarHBondContact O-CE1 3.39Å; G98-Y149 VanDerWaalsContact O-CZ 3.3Å; G98-Y149 PolarHBondContact O-OH 3.12Å; Y149-G151 VanDerWaalsContact C-N 3.27Å
150S96.9Very high91.3Very high57 Ų5724.1 Ų24.140%0.39913%0.13SC..THydrogen-bonded Turntrans-80.3-3.8173.838.40000113.9S148 D152 A276 Q279S148-S150 PolarHBondContact O-N 3.26Å; S148-S150 VanDerWaalsContact O-N 3.14Å; S148-S150 PolarHBondContact OG-N 3.11Å; S148-S150 PolarHBondContact OG-OG 2.93Å; S150-D152 WeakPolarHBondContact CB-OD2 3.47Å; S150-D152 PolarHBondContact OG-OD2 2.7Å; S150-A276 WeakPolarHBondContact O-CA 3.23Å; S150-Q279 PolarHBondContact O-NE2 3.21Å
151G97.8Very high88.8Confident0 Ų026.8 Ų26.80%015%0.151CC..  trans87.713-179.900000114.4S148 Y149 T275S148-G151 PolarHBondContact O-N 3.13Å; S148-G151 PolarHBondContact OG-N 3.36Å; Y149-G151 VanDerWaalsContact C-N 3.27Å; G151-T275 VanDerWaalsContact O-CB 3.22Å; G151-T275 WeakPolarHBondContact O-CB 3.18Å
152D98.4Very high86.3Confident61 Ų6126.2 Ų26.233%0.32615%0.154SC..  trans-80.6130.9177.7-48.6-67.5000109.9L147 S148 S150 T275L147-D152 CarbonylContact C-O 3.45Å; L147-D152 WeakPolarHBondContact CA-O 3.4Å; S148-D152 PolarHBondContact N-O 2.95Å; S148-D152 WeakPolarHBondContact OG-CB 3.36Å; S148-D152 PolarHBondContact OG-N 3.35Å; S148-D152 PolarHBondContact OG-OD2 2.83Å; S150-D152 WeakPolarHBondContact CB-OD2 3.47Å; S150-D152 PolarHBondContact OG-OD2 2.7Å; D152-T275 PolarHBondContact OD1-OG1 3.02Å; D152-T275 VanDerWaalsContact OD1-OG1 3.12Å
153V98.7Very high83.9Confident3 Ų329.4 Ų29.42%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-106.6134.2-169.5-177.60000110.1I119 E122 V145 L146 L147 L278I119-V153 HydrophobicContact CG1-CG2 4.47Å; I119-V153 HydrophobicContact CG2-CG1 4.41Å; E122-V153 HydrophobicContact CB-CB 3.69Å; E122-V153 HydrophobicContact CB-CG1 4.19Å; E122-V153 HydrophobicContact CB-CG2 4.36Å; E122-V153 HydrophobicContact CG-CB 4.05Å; E122-V153 HydrophobicContact CG-CG2 4.26Å; V145-V153 HydrophobicContact CG1-CG1 3.42Å; V145-V153 VanDerWaalsContact CG1-CG1 3.42Å; L146-V153 WeakPolarHBondContact O-CA 3.28Å; L147-V153 HydrophobicContact CD2-CG2 3.84Å; L147-V153 HydrophobicContact CG-CG2 4.08Å; V153-L278 HydrophobicContact CG2-CD1 3.37Å
154K98.3Very high81.6Confident23 Ų2329.1 Ų29.110%0.116%0.163CC..EExtended strand (participates in β ladder)trans-137.5151.7179.9-47.5-160-169.7-172.40112.8P75 Y76 I77 E95 L97 L146P75-K154 VanDerWaalsContact O-CD 3.24Å; P75-K154 WeakPolarHBondContact O-CD 3.44Å; P75-K154 WeakPolarHBondContact O-CE 3.48Å; P75-K154 WeakPolarHBondContact O-CG 3.46Å; Y76-K154 CarbonylContact O-C 3.54Å; Y76-K154 VanDerWaalsContact O-CA 3.29Å; Y76-K154 WeakPolarHBondContact O-CA 3.4Å; I77-K154 WeakPolarHBondContact O-CD 3.4Å; E95-K154 IonicContact OE1-NZ 3.3Å; E95-K154 PolarHBondContact OE1-NZ 3.18Å; E95-K154 IonicContact OE2-NZ 2.77Å; E95-K154 PolarHBondContact OE2-NZ 3.26Å; L97-K154 HydrophobicContact CD1-CB 3.88Å; L97-K154 HydrophobicContact CD1-CD 4.09Å; L97-K154 HydrophobicContact CD1-CG 4Å; L97-K154 HydrophobicContact CD2-CD 4.38Å; L146-K154 PolarHBondContact N-O 2.93Å; L146-K154 PolarHBondContact O-N 2.74Å
155L96.4Very high79Confident1 Ų132 Ų321%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-81140.5169.5-54179.3000110.7Y76 I77 T78 I123 L127 L130 I140 V145Y76-L155 PolarHBondContact O-N 3.22Å; I77-L155 HydrophobicContact CD1-CB 3.96Å; I77-L155 HydrophobicContact CD1-CD1 4.01Å; I77-L155 HydrophobicContact CD1-CG 4.27Å; T78-L155 PolarHBondContact N-O 2.87Å; T78-L155 PolarHBondContact OG1-O 3.46Å; I123-L155 HydrophobicContact CB-CD2 4.39Å; I123-L155 HydrophobicContact CG1-CD2 4.09Å; I123-L155 HydrophobicContact CG2-CD2 4.22Å; L127-L155 HydrophobicContact CD2-CD1 3.92Å; L127-L155 HydrophobicContact CG-CD1 4.23Å; L130-L155 HydrophobicContact CD1-CD1 4.06Å; I140-L155 HydrophobicContact CD1-CD1 4.02Å; I140-L155 HydrophobicContact CD1-CD2 3.85Å; I140-L155 HydrophobicContact CD1-CG 4.49Å; V145-L155 HydrophobicContact CG2-CD2 4.11Å
156A91.7Very high76.4Confident1 Ų133.2 Ų33.21%0.00819%0.192CC..  trans-135169.4178.800000110.9T78 H137 N144 L146T78-A156 HydrophobicContact CG2-CB 3.74Å; H137-A156 PolarHBondContact CE1-O 3.06Å; H137-A156 PolarHBondContact NE2-O 3.34Å; N144-A156 PolarHBondContact O-N 2.98Å; L146-A156 HydrophobicContact CD1-CB 3.56Å; L146-A156 HydrophobicContact CG-CB 3.79Å
157D81.6Confident73.8Confident48 Ų4831.5 Ų31.526%0.25718%0.183SC..SBendtrans46.978.9178.2-72.2-62.1000114.3K48 H137 N144 G159K48-D157 IonicContact NZ-OD1 3.38Å; K48-D157 PolarHBondContact NZ-OD1 2.95Å; H137-D157 PolarHBondContact CE1-O 2.85Å; N144-D157 PolarHBondContact ND2-O 3.05Å; D157-G159 PolarHBondContact O-N 3.46Å; D157-G159 VanDerWaalsContact O-N 3.13Å
158F76.7Confident71.2Confident9 Ų934.9 Ų34.94%0.03920%0.201CC..  trans-64.2111178.5-79-94.2000111.3E65 V68 L69 I77 L130 H137 V160E65-F158 HydrophobicContact CG-CB 4.46Å; V68-F158 HydrophobicContact CG1-CB 4.43Å; V68-F158 HydrophobicContact CG1-CD1 3.51Å; V68-F158 HydrophobicContact CG1-CE1 3.85Å; V68-F158 HydrophobicContact CG1-CG 3.92Å; L69-F158 HydrophobicContact CB-CD2 4.41Å; L69-F158 HydrophobicContact CD1-CD2 3.79Å; L69-F158 HydrophobicContact CD1-CE2 3.52Å; I77-F158 HydrophobicContact CD1-CZ 4.21Å; I77-F158 HydrophobicContact CG2-CE2 3.66Å; I77-F158 HydrophobicContact CG2-CZ 3.61Å; L130-F158 HydrophobicContact CD1-CE1 3.59Å; L130-F158 HydrophobicContact CD1-CZ 4.04Å; L130-F158 HydrophobicContact CD2-CE1 3.56Å; L130-F158 HydrophobicContact CD2-CZ 3.84Å; L130-F158 HydrophobicContact CG-CE1 4.23Å; H137-F158 AromaticContact CD2-CD1 3.75Å; H137-F158 AromaticContact CD2-CE1 3.67Å; F158-V160 WeakPolarHBondContact O-CG2 3.3Å; F158-V160 PolarHBondContact O-N 3.07Å
159G64.5Low68.6Low9 Ų937.9 Ų37.99%0.09322%0.218CC..  trans-56.9110.3175.800000111.3H137 R138 D157H137-G159 VanDerWaalsContact O-CA 3.28Å; H137-G159 WeakPolarHBondContact O-CA 3.06Å; H137-G159 PolarHBondContact O-N 3.26Å; R138-G159 WeakPolarHBondContact CD-O 3.39Å; D157-G159 PolarHBondContact O-N 3.46Å; D157-G159 VanDerWaalsContact O-N 3.13Å
160V54.2Low65.9Low16 Ų1635.5 Ų35.510%0.09721%0.211CC..  trans-76.8156.2-172-1480000111.4F30 D61 Q64 E65 F158 G162 Q163F30-V160 HydrophobicContact CE2-CG2 4.4Å; F30-V160 HydrophobicContact CZ-CG2 4.42Å; D61-V160 HydrophobicContact CB-CB 3.9Å; D61-V160 HydrophobicContact CB-CG1 4.02Å; D61-V160 HydrophobicContact CB-CG2 4.05Å; D61-V160 WeakPolarHBondContact O-CG1 3.37Å; D61-V160 WeakPolarHBondContact OD1-CB 3.43Å; D61-V160 WeakPolarHBondContact OD1-CG1 3.29Å; Q64-V160 HydrophobicContact CB-CG1 3.71Å; Q64-V160 HydrophobicContact CG-CG1 3.69Å; E65-V160 HydrophobicContact CB-CG2 3.95Å; F158-V160 WeakPolarHBondContact O-CG2 3.3Å; F158-V160 PolarHBondContact O-N 3.07Å; V160-G162 PolarHBondContact O-N 3Å; V160-Q163 PolarHBondContact O-N 2.72Å
161A42.5Very low63.2Low56 Ų5640.9 Ų40.946%0.46322%0.222SC..THydrogen-bonded Turntrans-62.6-22.4-164.500000114.7Q163A161-Q163 PolarHBondContact O-N 3.28Å
162G43.1Very low60.3Low17 Ų1744.1 Ų44.118%0.17526%0.256CS..THydrogen-bonded Turntrans-79.6-0.2179.600000116.4D61 V160 L164 S165 S166D61-G162 PolarHBondContact OD1-N 2.88Å; V160-G162 PolarHBondContact O-N 3Å; G162-L164 PolarHBondContact O-N 2.86Å; G162-S165 PolarHBondContact O-N 3.38Å; G162-S165 PolarHBondContact O-OG 2.79Å; G162-S166 PolarHBondContact O-N 3.05Å
163Q47.1Very low57.4Low67 Ų6745.3 Ų45.331%0.31327%0.266SS..Hα-helixtrans-57.6-23.1-168.3-146.3172.424.400114.8V160 A161 S166 T167V160-Q163 PolarHBondContact O-N 2.72Å; A161-Q163 PolarHBondContact O-N 3.28Å; Q163-S166 WeakPolarHBondContact CA-OG 3.45Å; Q163-S166 PolarHBondContact O-OG 3.42Å; Q163-S166 VanDerWaalsContact O-OG 3.06Å; Q163-T167 VanDerWaalsContact O-CB 3.23Å; Q163-T167 WeakPolarHBondContact O-CB 3.43Å; Q163-T167 PolarHBondContact O-N 3.31Å; Q163-T167 VanDerWaalsContact O-N 3.09Å; Q163-T167 PolarHBondContact O-OG1 3.06Å
164L43.8Very low54.8Low28 Ų2847.6 Ų47.615%0.14728%0.275CS..Hα-helixtrans-78.9-21.4175.4-14388.3000114.7G162 M181 L185 R188G162-L164 PolarHBondContact O-N 2.86Å; L164-M181 HydrophobicContact CD1-CE 3.23Å; L164-L185 HydrophobicContact CD1-CD1 4.11Å; L164-L185 HydrophobicContact CD1-CG 4.01Å; L164-L185 WeakPolarHBondContact CD1-O 3Å; L164-L185 WeakPolarHBondContact CD2-O 3.38Å; L164-R188 HydrophobicContact CD2-CG 3.38Å
165S40.7Very low52.2Low73 Ų7349.9 Ų49.951%0.5129%0.291SS..Hα-helixtrans-88.9-30.3171.739.70000112.7G162 I168G162-S165 PolarHBondContact O-N 3.38Å; G162-S165 PolarHBondContact O-OG 2.79Å; S165-I168 CarbonylContact O-C 3.35Å
166S41.4Very low50.3Low26 Ų2650.9 Ų50.918%0.18230%0.302CS..Hα-helixtrans-69.8-42.9170.563.70000111.5G162 Q163 I168G162-S166 PolarHBondContact O-N 3.05Å; Q163-S166 WeakPolarHBondContact CA-OG 3.45Å; Q163-S166 PolarHBondContact O-OG 3.42Å; Q163-S166 VanDerWaalsContact O-OG 3.06Å; S166-I168 VanDerWaalsContact C-N 3.25Å; S166-I168 PolarHBondContact O-N 3.44Å
167T43.5Very low49.2Very low5 Ų554.6 Ų54.63%0.03133%0.325CS..Hα-helixtrans-59.1-37177.8-61.40000112Q163 F174 V175Q163-T167 VanDerWaalsContact O-CB 3.23Å; Q163-T167 WeakPolarHBondContact O-CB 3.43Å; Q163-T167 PolarHBondContact O-N 3.31Å; Q163-T167 VanDerWaalsContact O-N 3.09Å; Q163-T167 PolarHBondContact O-OG1 3.06Å; T167-F174 HydrophobicContact CG2-CD1 4.37Å; T167-F174 HydrophobicContact CG2-CD2 4.29Å; T167-F174 HydrophobicContact CG2-CE1 3.65Å; T167-F174 HydrophobicContact CG2-CE2 3.58Å; T167-F174 HydrophobicContact CG2-CZ 3.22Å; T167-F174 WeakPolarHBondContact O-CD2 3.27Å; T167-V175 VanDerWaalsContact CA-O 3.31Å; T167-V175 WeakPolarHBondContact CA-O 3.28Å; T167-V175 PolarHBondContact N-O 3.45Å; T167-V175 PolarHBondContact O-N 2.96Å; T167-V175 PolarHBondContact OG1-O 3.46Å
168I43.4Very low49.5Very low72 Ų7252.3 Ų52.337%0.36931%0.312SS..SBendtrans-105.880.2179.5-59.5168.4000109.2S165 S166S165-I168 CarbonylContact O-C 3.35Å; S166-I168 VanDerWaalsContact C-N 3.25Å; S166-I168 PolarHBondContact O-N 3.44Å
169T43.1Very low50.3Low80 Ų8052.7 Ų52.749%0.49131%0.314SS..  trans58.7103162.359.80000118
170K40.7Very low51.8Low94 Ų9453.5 Ų53.541%0.40931%0.314SS..SBendtrans-88.1-33.3147-75.7-172.9-177.2172.90112.9D57 E58D57-K170 HydrophobicContact CB-CD 4.18Å; D57-K170 PolarHBondContact O-NZ 2.79Å; E58-K170 IonicContact OE1-NZ 3.48Å; E58-K170 PolarHBondContact OE1-NZ 2.7Å
171R40.3Very low53.6Low169 Ų16954 Ų5464%0.63832%0.316SS*.SBendtrans-140.936.2-174-56.6-176-168.4165.68.5113.5D57 T173D57-R171 IonicContact OD2-CZ 2.65Å; D57-R171 IonicContact OD2-NH2 2.7Å; D57-R171 PolarHBondContact OD2-NH2 2.93Å; R171-T173 PolarHBondContact O-N 3.32Å
172G36.7Very low56Low68 Ų6851.3 Ų51.370%0.70129%0.294SS*.SBendtrans75.6-26.7-176.300000114.9
173T37.8Very low58.3Low87 Ų8750.7 Ų50.753%0.53429%0.286SS..SBendtrans-69147.9168.646.40000112.4R171R171-T173 PolarHBondContact O-N 3.32Å
174F43.2Very low60.4Low51 Ų5148 Ų4822%0.22427%0.274CS..  trans-96.6116.7178.8-175.7-86.2000109.6T167 G176 P178 P219 I220 L223T167-F174 HydrophobicContact CG2-CD1 4.37Å; T167-F174 HydrophobicContact CG2-CD2 4.29Å; T167-F174 HydrophobicContact CG2-CE1 3.65Å; T167-F174 HydrophobicContact CG2-CE2 3.58Å; T167-F174 HydrophobicContact CG2-CZ 3.22Å; T167-F174 WeakPolarHBondContact O-CD2 3.27Å; F174-G176 WeakPolarHBondContact CE1-O 3.26Å; F174-P178 HydrophobicContact CE1-CG 4.27Å; F174-P178 HydrophobicContact CZ-CG 4.31Å; F174-P219 HydrophobicContact CD1-CB 3.71Å; F174-P219 HydrophobicContact CE1-CB 3.33Å; F174-P219 HydrophobicContact CE1-CG 4.44Å; F174-P219 HydrophobicContact CZ-CB 4.09Å; F174-I220 HydrophobicContact CB-CD1 4.45Å; F174-I220 HydrophobicContact CB-CG1 4.44Å; F174-I220 HydrophobicContact CD2-CD1 4.22Å; F174-I220 HydrophobicContact CD2-CG1 3.64Å; F174-I220 HydrophobicContact CE2-CG1 3.97Å; F174-I220 HydrophobicContact CG-CG1 4.01Å; F174-L223 HydrophobicContact CE2-CD1 3.46Å; F174-L223 VanDerWaalsContact CE2-CD1 3.46Å; F174-L223 HydrophobicContact CE2-CG 4.35Å; F174-L223 HydrophobicContact CZ-CD1 3.54Å; F174-L223 HydrophobicContact CZ-CG 3.99Å
175V44.3Very low62.5Low70 Ų7047.2 Ų47.242%0.42427%0.27SS..  trans-118.172.9-167.9-167.70000111.5T167T167-V175 VanDerWaalsContact CA-O 3.31Å; T167-V175 WeakPolarHBondContact CA-O 3.28Å; T167-V175 PolarHBondContact N-O 3.45Å; T167-V175 PolarHBondContact O-N 2.96Å; T167-V175 PolarHBondContact OG1-O 3.46Å
176G56.9Low64.6Low23 Ų2345 Ų4524%0.23725%0.252CS..  trans-177.3162.4177.100000113.4F174 P178F174-G176 WeakPolarHBondContact CE1-O 3.26Å; G176-P178 WeakPolarHBondContact O-CD 3.37Å
177T68.7Low66.5Low79 Ų7947.8 Ų47.849%0.48526%0.262SS..  trans-117.582.5-174.2-16.50000108.5F179 W180T177-F179 VanDerWaalsContact C-N 3.27Å; T177-F179 HydrophobicContact CG2-CD2 3.9Å; T177-F179 HydrophobicContact CG2-CE2 3.72Å; T177-F179 PolarHBondContact O-N 2.83Å; T177-F179 VanDerWaalsContact O-N 3.13Å; T177-W180 HydrophobicContact CG2-CZ3 3.83Å
178P86.5Confident67.9Low0 Ų054.5 Ų54.50%029%0.287CS..G310 helixtrans-78.8-2.8-155.330.4-37.4000115.8F174 G176 W180 M181 P219 V222 L223 I226F174-P178 HydrophobicContact CE1-CG 4.27Å; F174-P178 HydrophobicContact CZ-CG 4.31Å; G176-P178 WeakPolarHBondContact O-CD 3.37Å; P178-W180 PolarHBondContact O-N 3.49Å; P178-M181 VanDerWaalsContact CA-SD 3.52Å; P178-M181 HydrophobicContact CB-CG 4.4Å; P178-M181 HydrophobicContact CB-SD 3.57Å; P178-M181 VanDerWaalsContact CB-SD 3.57Å; P178-M181 VanDerWaalsContact O-CB 3.3Å; P178-M181 WeakPolarHBondContact O-CB 3.47Å; P178-M181 WeakPolarHBondContact O-CG 3.41Å; P178-M181 PolarHBondContact O-N 3.06Å; P178-P219 HydrophobicContact CG-CB 3.77Å; P178-P219 WeakPolarHBondContact CG-O 3.3Å; P178-V222 HydrophobicContact CG-CB 4.27Å; P178-V222 HydrophobicContact CG-CG1 4.31Å; P178-L223 HydrophobicContact CB-CD2 3.55Å; P178-L223 HydrophobicContact CB-CG 4.05Å; P178-L223 HydrophobicContact CG-CD2 4.39Å; P178-L223 HydrophobicContact CG-CG 4.37Å; P178-I226 WeakPolarHBondContact O-CD1 3.32Å
179F93.9Very high69.1Low17 Ų1757.8 Ų57.88%0.07530%0.296CS..G310 helixtrans-61-30.6-170.5-44.8-95.4000113.2T177 P212 N214 P219 V222T177-F179 VanDerWaalsContact C-N 3.27Å; T177-F179 HydrophobicContact CG2-CD2 3.9Å; T177-F179 HydrophobicContact CG2-CE2 3.72Å; T177-F179 PolarHBondContact O-N 2.83Å; T177-F179 VanDerWaalsContact O-N 3.13Å; F179-P212 HydrophobicContact CB-CB 3.85Å; F179-P212 HydrophobicContact CB-CG 3.74Å; F179-P212 HydrophobicContact CG-CG 4.13Å; F179-N214 VanDerWaalsContact CE1-O 3.26Å; F179-N214 WeakPolarHBondContact CE1-O 3.33Å; F179-P219 HydrophobicContact CE2-CG 4.49Å; F179-P219 HydrophobicContact CZ-CG 4.2Å; F179-V222 HydrophobicContact CD1-CB 4.43Å; F179-V222 HydrophobicContact CD1-CG1 3.98Å; F179-V222 HydrophobicContact CD1-CG2 3.95Å; F179-V222 HydrophobicContact CE1-CB 4.41Å; F179-V222 HydrophobicContact CE1-CG1 4.45Å; F179-V222 HydrophobicContact CE1-CG2 3.68Å; F179-V222 HydrophobicContact CG-CG1 4.48Å
180W95.1Very high70.6Confident26 Ų2659.1 Ų59.110%0.09832%0.315CS..G310 helixtrans-88.2-5176.3-59.2-101.8000114.3K141 T177 P178 S199 I202 E206 P212K141-W180 HydrophobicContact CB-CD2 3.78Å; K141-W180 VanDerWaalsContact CB-CE2 3.44Å; K141-W180 HydrophobicContact CB-CE3 4.44Å; K141-W180 HydrophobicContact CB-CG 3.99Å; K141-W180 HydrophobicContact CB-CZ2 3.9Å; T177-W180 HydrophobicContact CG2-CZ3 3.83Å; P178-W180 PolarHBondContact O-N 3.49Å; W180-S199 WeakPolarHBondContact O-CA 3.42Å; W180-S199 WeakPolarHBondContact O-CB 3.38Å; W180-S199 PolarHBondContact O-OG 3.1Å; W180-I202 HydrophobicContact CB-CB 4.46Å; W180-I202 HydrophobicContact CB-CG2 4.32Å; W180-I202 VanDerWaalsContact CD1-CG2 3.47Å; W180-I202 HydrophobicContact CD2-CG2 4.45Å; W180-I202 HydrophobicContact CG-CB 4.32Å; W180-I202 HydrophobicContact CG-CG2 3.82Å; W180-E206 WeakPolarHBondContact CZ2-OE1 3.32Å; W180-E206 PolarHBondContact NE1-OE2 3.37Å; W180-P212 HydrophobicContact CH2-CB 4.48Å; W180-P212 HydrophobicContact CH2-CG 3.76Å; W180-P212 HydrophobicContact CZ2-CB 3.97Å; W180-P212 HydrophobicContact CZ2-CG 3.64Å; W180-P212 HydrophobicContact CZ3-CG 4.36Å
181M92.1Very high72.6Confident25 Ų2558.2 Ų58.212%0.12331%0.309CS..  trans-75.1140.6-172.9-64.7173.967.400112.7L164 P178 L185 I186 W198 L223L164-M181 HydrophobicContact CD1-CE 3.23Å; P178-M181 VanDerWaalsContact CA-SD 3.52Å; P178-M181 HydrophobicContact CB-CG 4.4Å; P178-M181 HydrophobicContact CB-SD 3.57Å; P178-M181 VanDerWaalsContact CB-SD 3.57Å; P178-M181 VanDerWaalsContact O-CB 3.3Å; P178-M181 WeakPolarHBondContact O-CB 3.47Å; P178-M181 WeakPolarHBondContact O-CG 3.41Å; P178-M181 PolarHBondContact O-N 3.06Å; M181-L185 HydrophobicContact CB-CD2 4.38Å; M181-L185 HydrophobicContact CE-CD2 4.15Å; M181-L185 HydrophobicContact CE-CG 4.07Å; M181-L185 HydrophobicContact CG-CD2 4.4Å; M181-I186 HydrophobicContact CB-CD1 4.02Å; M181-I186 HydrophobicContact CB-CG1 3.91Å; M181-I186 HydrophobicContact CE-CG1 3.81Å; M181-I186 HydrophobicContact SD-CG1 4.44Å; M181-W198 PolarHBondContact O-NE1 2.94Å; M181-L223 HydrophobicContact CE-CD2 4.36Å; M181-L223 HydrophobicContact SD-CD2 4.08Å
182A92.7Very high74.8Confident0 Ų053.2 Ų53.20%030%0.295CS..  trans-74.5149175.500000112.4E184 L185 I186 V195 W198A182-E184 VanDerWaalsContact C-N 3.34Å; A182-E184 WeakPolarHBondContact CB-OE1 3.33Å; A182-E184 WeakPolarHBondContact CB-OE2 3.5Å; A182-E184 PolarHBondContact O-N 3.36Å; A182-L185 HydrophobicContact CB-CB 4.36Å; A182-L185 WeakPolarHBondContact O-CB 3.49Å; A182-L185 PolarHBondContact O-N 2.97Å; A182-I186 PolarHBondContact O-N 3.06Å; A182-I186 VanDerWaalsContact O-N 3.17Å; A182-V195 HydrophobicContact CB-CB 4.09Å; A182-V195 HydrophobicContact CB-CG1 4.04Å; A182-W198 VanDerWaalsContact CA-CD1 3.47Å; A182-W198 HydrophobicContact CB-CB 3.86Å; A182-W198 HydrophobicContact CB-CD2 4.47Å; A182-W198 HydrophobicContact CB-CG 3.83Å
183P92.9Very high77.5Confident4 Ų452.9 Ų52.93%0.02628%0.275CS..Hα-helixtrans-54.5-44.8-179.2-26.434.1000113.9L185 I186 Q187 W198 I226 K252P183-L185 VanDerWaalsContact C-N 3.32Å; P183-L185 PolarHBondContact O-N 3.19Å; P183-I186 PolarHBondContact O-N 3.12Å; P183-Q187 WeakPolarHBondContact O-CB 3.33Å; P183-Q187 VanDerWaalsContact O-CG 3.25Å; P183-Q187 WeakPolarHBondContact O-CG 3.1Å; P183-Q187 PolarHBondContact O-N 3.44Å; P183-Q187 PolarHBondContact O-OE1 3.44Å; P183-W198 HydrophobicContact CG-CE3 4.36Å; P183-W198 HydrophobicContact CG-CH2 3.78Å; P183-W198 HydrophobicContact CG-CZ2 4.02Å; P183-W198 HydrophobicContact CG-CZ3 3.96Å; P183-I226 HydrophobicContact CB-CG2 4.43Å; P183-I226 HydrophobicContact CG-CG2 3.93Å; P183-K252 HydrophobicContact CG-CG 4.37Å
184E91.7Very high80.2Confident10 Ų1049.5 Ų49.55%0.04725%0.253CS..Hα-helixtrans-66.4-32.4-178.969.5-78-171.300113.2A182 Q187 R188 Y189 V195 P254 R257A182-E184 VanDerWaalsContact C-N 3.34Å; A182-E184 WeakPolarHBondContact CB-OE1 3.33Å; A182-E184 WeakPolarHBondContact CB-OE2 3.5Å; A182-E184 PolarHBondContact O-N 3.36Å; E184-Q187 PolarHBondContact O-N 2.84Å; E184-R188 PolarHBondContact O-N 2.92Å; E184-Y189 HydrophobicContact CB-CD2 4.35Å; E184-Y189 PolarHBondContact O-N 3.08Å; E184-Y189 VanDerWaalsContact O-N 3.1Å; E184-V195 HydrophobicContact CG-CG1 4.41Å; E184-V195 WeakPolarHBondContact OE1-CG1 3.22Å; E184-P254 HydrophobicContact CB-CG 4.33Å; E184-P254 HydrophobicContact CG-CG 3.93Å; E184-R257 VanDerWaalsContact CD-NH2 3.32Å; E184-R257 IonicContact OE1-CZ 2.7Å; E184-R257 IonicContact OE1-NH1 2.7Å; E184-R257 PolarHBondContact OE1-NH1 3.06Å; E184-R257 IonicContact OE1-NH2 3.81Å; E184-R257 PolarHBondContact OE1-NH2 2.65Å; E184-R257 IonicContact OE2-CZ 2.92Å; E184-R257 IonicContact OE2-NH1 3.47Å; E184-R257 IonicContact OE2-NH2 2.62Å; E184-R257 PolarHBondContact OE2-NH2 2.82Å
185L87.3Confident82.7Confident13 Ų1347.1 Ų47.17%0.06824%0.242CC..Hα-helixtrans-67.5-44.217517762.5000110.3L164 M181 A182 P183 R188 Y191 V195L164-L185 HydrophobicContact CD1-CD1 4.11Å; L164-L185 HydrophobicContact CD1-CG 4.01Å; L164-L185 WeakPolarHBondContact CD1-O 3Å; L164-L185 WeakPolarHBondContact CD2-O 3.38Å; M181-L185 HydrophobicContact CB-CD2 4.38Å; M181-L185 HydrophobicContact CE-CD2 4.15Å; M181-L185 HydrophobicContact CE-CG 4.07Å; M181-L185 HydrophobicContact CG-CD2 4.4Å; A182-L185 HydrophobicContact CB-CB 4.36Å; A182-L185 WeakPolarHBondContact O-CB 3.49Å; A182-L185 PolarHBondContact O-N 2.97Å; P183-L185 VanDerWaalsContact C-N 3.32Å; P183-L185 PolarHBondContact O-N 3.19Å; L185-R188 PolarHBondContact O-N 3.23Å; L185-Y191 HydrophobicContact CD1-CD1 3.91Å; L185-Y191 HydrophobicContact CD1-CD2 4.46Å; L185-Y191 HydrophobicContact CD1-CE1 3.41Å; L185-Y191 VanDerWaalsContact CD1-CE1 3.41Å; L185-Y191 HydrophobicContact CD1-CE2 4.02Å; L185-Y191 HydrophobicContact CD1-CG 4.41Å; L185-Y191 VanDerWaalsContact CD1-CZ 3.46Å; L185-V195 HydrophobicContact CB-CG1 4.25Å
186I84.1Confident85.1Confident27 Ų2743.8 Ų43.814%0.13822%0.222CC..Hα-helixtrans-63.8-43.8174.3-62.8169.5000110.9M181 A182 P183 R188 L223 I226 P227M181-I186 HydrophobicContact CB-CD1 4.02Å; M181-I186 HydrophobicContact CB-CG1 3.91Å; M181-I186 HydrophobicContact CE-CG1 3.81Å; M181-I186 HydrophobicContact SD-CG1 4.44Å; A182-I186 PolarHBondContact O-N 3.06Å; A182-I186 VanDerWaalsContact O-N 3.17Å; P183-I186 PolarHBondContact O-N 3.12Å; I186-R188 PolarHBondContact O-N 2.82Å; I186-L223 HydrophobicContact CB-CD2 4.45Å; I186-L223 HydrophobicContact CD1-CD2 3.92Å; I186-L223 HydrophobicContact CG1-CD2 3.76Å; I186-L223 HydrophobicContact CG2-CB 4.42Å; I186-L223 HydrophobicContact CG2-CD2 3.95Å; I186-I226 HydrophobicContact CD1-CB 3.7Å; I186-I226 HydrophobicContact CD1-CD1 3.91Å; I186-I226 HydrophobicContact CD1-CG1 4.4Å; I186-I226 HydrophobicContact CD1-CG2 3.63Å; I186-P227 HydrophobicContact CB-CG 4.24Å; I186-P227 HydrophobicContact CD1-CG 4.48Å; I186-P227 HydrophobicContact CG2-CG 3.79Å
187Q82.2Confident87.1Confident84 Ų8442.7 Ų42.739%0.39321%0.211SC..THydrogen-bonded Turntrans-751.3-177.6-68.8176.7-79.200114.1P183 E184 Y189 P227P183-Q187 WeakPolarHBondContact O-CB 3.33Å; P183-Q187 VanDerWaalsContact O-CG 3.25Å; P183-Q187 WeakPolarHBondContact O-CG 3.1Å; P183-Q187 PolarHBondContact O-N 3.44Å; P183-Q187 PolarHBondContact O-OE1 3.44Å; E184-Q187 PolarHBondContact O-N 2.84Å; Q187-Y189 HydrophobicContact CB-CD2 3.65Å; Q187-Y189 HydrophobicContact CB-CE2 3.54Å; Q187-Y189 HydrophobicContact CB-CG 4.3Å; Q187-Y189 HydrophobicContact CG-CE2 4.17Å; Q187-Y189 PolarHBondContact O-N 3.04Å; Q187-P227 HydrophobicContact CG-CB 3.98Å; Q187-P227 HydrophobicContact CG-CG 4.09Å
188R72Confident88.5Confident146 Ų14639 Ų3955%0.55119%0.188SC*.THydrogen-bonded Turntrans57.826.8-179.3-64176.9-180-112.70.8113.8L164 E184 L185 I186L164-R188 HydrophobicContact CD2-CG 3.38Å; E184-R188 PolarHBondContact O-N 2.92Å; L185-R188 PolarHBondContact O-N 3.23Å; I186-R188 PolarHBondContact O-N 2.82Å
189Y69.4Low89Confident141 Ų14139 Ų3955%0.55319%0.188SC*.  trans-73.5166.8169.8-63-43.5000110.6E184 Q187 Y191E184-Y189 HydrophobicContact CB-CD2 4.35Å; E184-Y189 PolarHBondContact O-N 3.08Å; E184-Y189 VanDerWaalsContact O-N 3.1Å; Q187-Y189 HydrophobicContact CB-CD2 3.65Å; Q187-Y189 HydrophobicContact CB-CE2 3.54Å; Q187-Y189 HydrophobicContact CB-CG 4.3Å; Q187-Y189 HydrophobicContact CG-CE2 4.17Å; Q187-Y189 PolarHBondContact O-N 3.04Å; Y189-Y191 WeakPolarHBondContact O-CD1 3.44Å; Y189-Y191 PolarHBondContact O-N 2.92Å
190A74.2Confident89.2Confident108 Ų10838.2 Ų38.289%0.89319%0.185SC*.  trans-63.6128.6165.800000108.8
191Y83Confident89.4Confident74 Ų7437 Ų3729%0.2918%0.18SC..  trans-129.8155.818062.5-94.6000110.8R138 L185 Y189 V195R138-Y191 PolarHBondContact NH1-OH 2.98Å; L185-Y191 HydrophobicContact CD1-CD1 3.91Å; L185-Y191 HydrophobicContact CD1-CD2 4.46Å; L185-Y191 HydrophobicContact CD1-CE1 3.41Å; L185-Y191 VanDerWaalsContact CD1-CE1 3.41Å; L185-Y191 HydrophobicContact CD1-CE2 4.02Å; L185-Y191 HydrophobicContact CD1-CG 4.41Å; L185-Y191 VanDerWaalsContact CD1-CZ 3.46Å; Y189-Y191 WeakPolarHBondContact O-CD1 3.44Å; Y189-Y191 PolarHBondContact O-N 2.92Å; Y191-V195 HydrophobicContact CD2-CG1 3.71Å; Y191-V195 HydrophobicContact CD2-CG2 4.34Å; Y191-V195 HydrophobicContact CG-CG1 3.94Å
192D86.5Confident89.7Confident64 Ų6435.9 Ų35.934%0.34218%0.175SC..  trans-119.4-157.1177.373.3-10.8000110.5K194 V195D192-K194 PolarHBondContact O-N 2.91Å; D192-K194 WeakPolarHBondContact OD1-CB 3.37Å; D192-K194 WeakPolarHBondContact OD1-CG 3.41Å; D192-K194 PolarHBondContact OD1-N 3.37Å; D192-V195 WeakPolarHBondContact O-CG2 3.36Å
193F92.3Very high90Very high61 Ų6135.9 Ų35.927%0.26818%0.175SC..THydrogen-bonded Turntrans-67.9-9.3178.863.5-93.2000114.6H131 I136 V195 D196 T259H131-F193 HydrophobicContact CB-CB 4.31Å; H131-F193 HydrophobicContact CB-CD2 4.14Å; H131-F193 HydrophobicContact CB-CG 4.18Å; H131-F193 AromaticContact CE1-CD2 3.83Å; H131-F193 PolarHBondContact CE1-O 3.23Å; H131-F193 AromaticContact CG-CD2 3.76Å; H131-F193 AromaticContact CG-CG 3.91Å; H131-F193 AromaticContact ND1-CD2 3.34Å; H131-F193 VanDerWaalsContact ND1-CD2 3.34Å; H131-F193 WeakPolarHBondContact ND1-CD2 3.49Å; H131-F193 AromaticContact ND1-CG 3.95Å; I136-F193 HydrophobicContact CG1-CB 4.14Å; F193-V195 PolarHBondContact O-N 3.46Å; F193-D196 PolarHBondContact O-N 2.97Å; F193-T259 HydrophobicContact CE2-CG2 4.02Å; F193-T259 HydrophobicContact CZ-CG2 4.27Å
194K96Very high90.3Very high17 Ų1735.7 Ų35.77%0.07417%0.173CC..Hα-helixtrans-68-12.9177.6-59.5-68.6-166.376.80113.1D192 D196 I197 W198 P254 E255 R257D192-K194 PolarHBondContact O-N 2.91Å; D192-K194 WeakPolarHBondContact OD1-CB 3.37Å; D192-K194 WeakPolarHBondContact OD1-CG 3.41Å; D192-K194 PolarHBondContact OD1-N 3.37Å; K194-D196 VanDerWaalsContact C-N 3.34Å; K194-I197 HydrophobicContact CD-CG1 4.43Å; K194-I197 WeakPolarHBondContact O-CB 3.43Å; K194-I197 PolarHBondContact O-N 2.87Å; K194-W198 PolarHBondContact O-N 3.27Å; K194-P254 HydrophobicContact CB-CB 4.09Å; K194-P254 WeakPolarHBondContact CG-O 3.26Å; K194-P254 PolarHBondContact NZ-O 3.32Å; K194-E255 PolarHBondContact NZ-O 2.84Å; K194-E255 VanDerWaalsContact NZ-O 3.12Å; K194-R257 HydrophobicContact CD-CB 4.27Å; K194-R257 WeakPolarHBondContact CE-O 3.46Å; K194-R257 PolarHBondContact NZ-O 3.2Å; K194-R257 PolarHBondContact O-NH1 3.16Å
195V94.6Very high90.6Very high0 Ų035.4 Ų35.40%017%0.172CC..Hα-helixtrans-61-43.4170.1-580000111.1I136 A182 E184 L185 Y191 D192 F193 I197 W198 S199I136-V195 HydrophobicContact CG2-CG2 3.54Å; A182-V195 HydrophobicContact CB-CB 4.09Å; A182-V195 HydrophobicContact CB-CG1 4.04Å; E184-V195 HydrophobicContact CG-CG1 4.41Å; E184-V195 WeakPolarHBondContact OE1-CG1 3.22Å; L185-V195 HydrophobicContact CB-CG1 4.25Å; Y191-V195 HydrophobicContact CD2-CG1 3.71Å; Y191-V195 HydrophobicContact CD2-CG2 4.34Å; Y191-V195 HydrophobicContact CG-CG1 3.94Å; D192-V195 WeakPolarHBondContact O-CG2 3.36Å; F193-V195 PolarHBondContact O-N 3.46Å; V195-I197 PolarHBondContact O-N 3.22Å; V195-W198 WeakPolarHBondContact O-CB 3.35Å; V195-W198 PolarHBondContact O-N 3.49Å; V195-W198 VanDerWaalsContact O-N 3.12Å; V195-S199 PolarHBondContact O-N 3.09Å; V195-S199 PolarHBondContact O-OG 3.01Å
196D95.5Very high91.1Very high0 Ų035 Ų350%017%0.17CC..Hα-helixtrans-63.7-29.5179.8-62.4-19.8000111.6L127 H131 I136 H137 R138 I140 F193 K194 T200L127-D196 HydrophobicContact CD1-CB 3.99Å; L127-D196 HydrophobicContact CD2-CB 3.82Å; H131-D196 IonicContact CD2-OD2 2.76Å; H131-D196 IonicContact CE1-OD2 2.62Å; H131-D196 IonicContact NE2-OD2 2.67Å; H131-D196 PolarHBondContact NE2-OD2 2.74Å; I136-D196 WeakPolarHBondContact CG2-OD1 3.5Å; H137-D196 PolarHBondContact N-OD1 2.73Å; H137-D196 PolarHBondContact N-OD2 3.37Å; R138-D196 PolarHBondContact N-OD1 3.02Å; I140-D196 HydrophobicContact CG1-CB 4.42Å; F193-D196 PolarHBondContact O-N 2.97Å; K194-D196 VanDerWaalsContact C-N 3.34Å; D196-T200 WeakPolarHBondContact O-CB 3.18Å; D196-T200 PolarHBondContact O-N 3.15Å; D196-T200 PolarHBondContact O-OG1 3.2Å
197I98.5Very high91.8Very high0 Ų033.8 Ų33.80%016%0.163CC..Hα-helixtrans-70.5-41.6177.1-53.7-58.2000111L127 K194 V195 T200 G201 C249 R257 A260 L263L127-I197 HydrophobicContact CD1-CD1 4.48Å; K194-I197 HydrophobicContact CD-CG1 4.43Å; K194-I197 WeakPolarHBondContact O-CB 3.43Å; K194-I197 PolarHBondContact O-N 2.87Å; V195-I197 PolarHBondContact O-N 3.22Å; I197-T200 WeakPolarHBondContact O-CB 3.45Å; I197-T200 PolarHBondContact O-N 3.29Å; I197-G201 PolarHBondContact O-N 3.2Å; I197-C249 HydrophobicContact CG2-CB 4.41Å; I197-R257 HydrophobicContact CG2-CB 4.38Å; I197-A260 HydrophobicContact CD1-CB 3.95Å; I197-L263 HydrophobicContact CD1-CD1 4.39Å; I197-L263 HydrophobicContact CG2-CD1 3.74Å
198W98Very high92.6Very high2 Ų230.2 Ų30.21%0.00815%0.148CC..Hα-helixtrans-62.6-48.4172.2174.7-79.1000110.8M181 A182 P183 K194 V195 T200 G201 I202 I226 L250 K252M181-W198 PolarHBondContact O-NE1 2.94Å; A182-W198 VanDerWaalsContact CA-CD1 3.47Å; A182-W198 HydrophobicContact CB-CB 3.86Å; A182-W198 HydrophobicContact CB-CD2 4.47Å; A182-W198 HydrophobicContact CB-CG 3.83Å; P183-W198 HydrophobicContact CG-CE3 4.36Å; P183-W198 HydrophobicContact CG-CH2 3.78Å; P183-W198 HydrophobicContact CG-CZ2 4.02Å; P183-W198 HydrophobicContact CG-CZ3 3.96Å; K194-W198 PolarHBondContact O-N 3.27Å; V195-W198 WeakPolarHBondContact O-CB 3.35Å; V195-W198 PolarHBondContact O-N 3.49Å; V195-W198 VanDerWaalsContact O-N 3.12Å; W198-T200 VanDerWaalsContact C-N 3.26Å; W198-T200 PolarHBondContact O-N 3.21Å; W198-G201 CarbonylContact O-C 3.48Å; W198-G201 WeakPolarHBondContact O-CA 3.09Å; W198-G201 PolarHBondContact O-N 2.68Å; W198-I202 PolarHBondContact O-N 2.9Å; W198-I226 HydrophobicContact CZ2-CG2 4.05Å; W198-L250 HydrophobicContact CD2-CD2 3.71Å; W198-L250 HydrophobicContact CE3-CB 4.41Å; W198-L250 HydrophobicContact CE3-CD2 3.99Å; W198-L250 HydrophobicContact CG-CD2 4.05Å; W198-L250 HydrophobicContact CZ2-CD2 4.31Å; W198-L250 HydrophobicContact CZ3-CB 4.26Å; W198-L250 HydrophobicContact CZ3-CD2 4.4Å; W198-L250 VanDerWaalsContact CZ3-O 3.24Å; W198-L250 WeakPolarHBondContact CZ3-O 3.39Å; W198-L250 WeakPolarHBondContact O-CD2 3.16Å; W198-K252 HydrophobicContact CH2-CG 4.37Å; W198-K252 HydrophobicContact CZ3-CG 4.14Å
199S97Very high93.8Very high1 Ų127.6 Ų27.61%0.00714%0.141CC..Hα-helixtrans-60.9-33.9177.2-54.30000112.4W180 V195 I202 T203W180-S199 WeakPolarHBondContact O-CA 3.42Å; W180-S199 WeakPolarHBondContact O-CB 3.38Å; W180-S199 PolarHBondContact O-OG 3.1Å; V195-S199 PolarHBondContact O-N 3.09Å; V195-S199 PolarHBondContact O-OG 3.01Å; S199-I202 PolarHBondContact O-N 3.18Å; S199-T203 WeakPolarHBondContact O-CB 3.12Å; S199-T203 PolarHBondContact O-N 3.03Å; S199-T203 PolarHBondContact O-OG1 2.73Å
200T98.6Very high95.1Very high0 Ų022.6 Ų22.60%013%0.132CC..Hα-helixtrans-65.2-37.2169.9-59.20000112L120 I123 L124 L127 D196 I197 W198 T203 A204L120-T200 HydrophobicContact CD2-CG2 3.89Å; I123-T200 HydrophobicContact CG2-CG2 4.21Å; L124-T200 HydrophobicContact CD2-CG2 4.32Å; L127-T200 WeakPolarHBondContact CD1-OG1 3.3Å; D196-T200 WeakPolarHBondContact O-CB 3.18Å; D196-T200 PolarHBondContact O-N 3.15Å; D196-T200 PolarHBondContact O-OG1 3.2Å; I197-T200 WeakPolarHBondContact O-CB 3.45Å; I197-T200 PolarHBondContact O-N 3.29Å; W198-T200 VanDerWaalsContact C-N 3.26Å; W198-T200 PolarHBondContact O-N 3.21Å; T200-T203 PolarHBondContact O-N 3.29Å; T200-A204 WeakPolarHBondContact O-CB 3.21Å; T200-A204 PolarHBondContact O-N 2.91Å
201G98.8Very high96.2Very high0 Ų021.6 Ų21.60%011%0.109CC..Hα-helixtrans-64.1-39172.300000113.2I197 W198 A204 I205 C249I197-G201 PolarHBondContact O-N 3.2Å; W198-G201 CarbonylContact O-C 3.48Å; W198-G201 WeakPolarHBondContact O-CA 3.09Å; W198-G201 PolarHBondContact O-N 2.68Å; G201-A204 PolarHBondContact O-N 3.12Å; G201-I205 PolarHBondContact O-N 3.32Å; G201-C249 VanDerWaalsContact CA-CB 3.47Å
202I98.6Very high96.9Very high2 Ų218.6 Ų18.61%0.0110%0.099CC..Hα-helixtrans-68.6-44.5172.8-59-60.8000110.8W180 W198 S199 A204 I205 E206 P212 P213 P232 L250W180-I202 HydrophobicContact CB-CB 4.46Å; W180-I202 HydrophobicContact CB-CG2 4.32Å; W180-I202 VanDerWaalsContact CD1-CG2 3.47Å; W180-I202 HydrophobicContact CD2-CG2 4.45Å; W180-I202 HydrophobicContact CG-CB 4.32Å; W180-I202 HydrophobicContact CG-CG2 3.82Å; W198-I202 PolarHBondContact O-N 2.9Å; S199-I202 PolarHBondContact O-N 3.18Å; I202-A204 PolarHBondContact O-N 2.9Å; I202-I205 WeakPolarHBondContact O-CA 3.45Å; I202-I205 PolarHBondContact O-N 2.98Å; I202-E206 PolarHBondContact O-N 3Å; I202-P212 HydrophobicContact CG2-CB 3.71Å; I202-P213 HydrophobicContact CD1-CG 4.12Å; I202-P232 HydrophobicContact CD1-CG 4.16Å; I202-L250 HydrophobicContact CD1-CD1 4.09Å; I202-L250 HydrophobicContact CD1-CD2 3.72Å; I202-L250 HydrophobicContact CG1-CD2 3.95Å
203T98.6Very high97.4Very high0 Ų016.8 Ų16.80%09%0.09CC..Hα-helixtrans-59.7-31.6175.2-53.40000111.8I123 I140 K141 S199 T200 E206 L207I123-T203 HydrophobicContact CD1-CG2 4.47Å; I140-T203 PolarHBondContact O-OG1 2.72Å; K141-T203 WeakPolarHBondContact CA-OG1 3.4Å; S199-T203 WeakPolarHBondContact O-CB 3.12Å; S199-T203 PolarHBondContact O-N 3.03Å; S199-T203 PolarHBondContact O-OG1 2.73Å; T200-T203 PolarHBondContact O-N 3.29Å; T203-E206 WeakPolarHBondContact CA-OE2 3.45Å; T203-E206 PolarHBondContact O-N 3.28Å; T203-L207 HydrophobicContact CG2-CD1 4.08Å; T203-L207 HydrophobicContact CG2-CG 4.29Å; T203-L207 WeakPolarHBondContact O-CB 3.37Å; T203-L207 VanDerWaalsContact O-CG 3.22Å; T203-L207 WeakPolarHBondContact O-CG 3.28Å; T203-L207 PolarHBondContact O-N 3.18Å
204A98.9Very high97.5Very high0 Ų016.3 Ų16.30%09%0.091CC..Hα-helixtrans-70.4-30.3174.100000113.2L120 T200 G201 I202 A208 F242 F245 V246L120-A204 HydrophobicContact CD1-CB 3.72Å; L120-A204 HydrophobicContact CD2-CB 4.07Å; T200-A204 WeakPolarHBondContact O-CB 3.21Å; T200-A204 PolarHBondContact O-N 2.91Å; G201-A204 PolarHBondContact O-N 3.12Å; I202-A204 PolarHBondContact O-N 2.9Å; A204-A208 WeakPolarHBondContact O-CB 3.43Å; A204-F242 HydrophobicContact CB-CE2 4.19Å; A204-F242 WeakPolarHBondContact O-CZ 3.42Å; A204-F245 HydrophobicContact CB-CD1 4.37Å; A204-F245 HydrophobicContact CB-CE1 4.06Å; A204-V246 HydrophobicContact CB-CG2 3.9Å
205I98.8Very high97.3Very high4 Ų415.7 Ų15.72%0.0219%0.089CC..Hα-helixtrans-75.5-44.4170.6-62.1173.6000110.3G201 I202 A208 K209 P213 P232 L234 V246 L250G201-I205 PolarHBondContact O-N 3.32Å; I202-I205 WeakPolarHBondContact O-CA 3.45Å; I202-I205 PolarHBondContact O-N 2.98Å; I205-A208 CarbonylContact O-C 3.58Å; I205-A208 WeakPolarHBondContact O-CA 3.49Å; I205-A208 WeakPolarHBondContact O-CB 3.35Å; I205-A208 PolarHBondContact O-N 2.77Å; I205-K209 HydrophobicContact CG2-CD 4.02Å; I205-K209 HydrophobicContact CG2-CG 4.39Å; I205-K209 PolarHBondContact O-N 2.89Å; I205-P213 HydrophobicContact CB-CG 4.43Å; I205-P213 HydrophobicContact CD1-CG 3.78Å; I205-P213 HydrophobicContact CG2-CG 4.11Å; I205-P232 HydrophobicContact CD1-CB 3.95Å; I205-L234 HydrophobicContact CG1-CD1 4.49Å; I205-V246 HydrophobicContact CD1-CG1 3.8Å; I205-V246 HydrophobicContact CG1-CG1 3.73Å; I205-V246 HydrophobicContact CG1-CG2 4.48Å; I205-L250 HydrophobicContact CD1-CD1 3.73Å
206E98.4Very high97.2Very high4 Ų422 Ų222%0.01912%0.122CC..Hα-helixtrans-51.4-57.2174.7177-172.2-166.100110.9M106 A142 W180 I202 T203 A208 K209 G210 E211M106-E206 HydrophobicContact CE-CG 3.88Å; A142-E206 HydrophobicContact CB-CG 4.07Å; A142-E206 WeakPolarHBondContact CB-OE1 3.05Å; A142-E206 VanDerWaalsContact N-CD 3.32Å; A142-E206 PolarHBondContact N-OE1 3.38Å; A142-E206 VanDerWaalsContact N-OE1 3.09Å; A142-E206 PolarHBondContact N-OE2 2.81Å; W180-E206 WeakPolarHBondContact CZ2-OE1 3.32Å; W180-E206 PolarHBondContact NE1-OE2 3.37Å; I202-E206 PolarHBondContact O-N 3Å; T203-E206 WeakPolarHBondContact CA-OE2 3.45Å; T203-E206 PolarHBondContact O-N 3.28Å; E206-A208 PolarHBondContact O-N 2.81Å; E206-K209 PolarHBondContact O-N 3.21Å; E206-G210 WeakPolarHBondContact O-CA 3.34Å; E206-G210 PolarHBondContact O-N 2.91Å; E206-E211 WeakPolarHBondContact CA-O 3.41Å
207L98.7Very high96.9Very high1 Ų123.2 Ų23.21%0.00513%0.129CC..Hα-helixtrans-59.2-20.4177.3-70.2171.7000114.5A102 M106 I111 I116 I119 L120 A142 T203A102-L207 HydrophobicContact CB-CD2 3.88Å; M106-L207 HydrophobicContact SD-CD2 4.36Å; I111-L207 HydrophobicContact CD1-CD2 4.36Å; I116-L207 HydrophobicContact CD1-CB 4.49Å; I116-L207 VanDerWaalsContact CD1-O 3.26Å; I116-L207 WeakPolarHBondContact CD1-O 3.35Å; I116-L207 HydrophobicContact CG1-CB 4.32Å; I116-L207 HydrophobicContact CG2-CB 3.87Å; I116-L207 HydrophobicContact CG2-CD1 4.2Å; I119-L207 HydrophobicContact CB-CD1 4.48Å; I119-L207 HydrophobicContact CG2-CD1 3.84Å; L120-L207 HydrophobicContact CD2-CD1 4.34Å; L120-L207 HydrophobicContact CG-CD1 4.32Å; A142-L207 HydrophobicContact CB-CD2 4Å; T203-L207 HydrophobicContact CG2-CD1 4.08Å; T203-L207 HydrophobicContact CG2-CG 4.29Å; T203-L207 WeakPolarHBondContact O-CB 3.37Å; T203-L207 VanDerWaalsContact O-CG 3.22Å; T203-L207 WeakPolarHBondContact O-CG 3.28Å; T203-L207 PolarHBondContact O-N 3.18Å
208A98.5Very high96.3Very high9 Ų929.1 Ų29.17%0.07416%0.156CC..Hα-helixtrans-92.7-23.717900000113.5I116 A204 I205 E206 L234 F238 F242I116-A208 HydrophobicContact CD1-CB 4.05Å; A204-A208 WeakPolarHBondContact O-CB 3.43Å; I205-A208 CarbonylContact O-C 3.58Å; I205-A208 WeakPolarHBondContact O-CA 3.49Å; I205-A208 WeakPolarHBondContact O-CB 3.35Å; I205-A208 PolarHBondContact O-N 2.77Å; E206-A208 PolarHBondContact O-N 2.81Å; A208-L234 HydrophobicContact CB-CD1 3.72Å; A208-F238 HydrophobicContact CB-CD1 4.43Å; A208-F238 HydrophobicContact CB-CE1 3.83Å; A208-F238 HydrophobicContact CB-CE2 4.48Å; A208-F238 HydrophobicContact CB-CZ 3.87Å; A208-F238 VanDerWaalsContact O-CZ 3.27Å; A208-F238 WeakPolarHBondContact O-CZ 3.32Å; A208-F242 HydrophobicContact CB-CE1 3.75Å; A208-F242 HydrophobicContact CB-CZ 3.93Å
209K97.7Very high95.7Very high92 Ų9230.5 Ų30.540%0.417%0.166SC..Hα-helixtrans-122.8-15.1-171.3-68.9-166.2171.7-169.70115.4I205 E206 E211 T235I205-K209 HydrophobicContact CG2-CD 4.02Å; I205-K209 HydrophobicContact CG2-CG 4.39Å; I205-K209 PolarHBondContact O-N 2.89Å; E206-K209 PolarHBondContact O-N 3.21Å; K209-E211 VanDerWaalsContact C-N 3.33Å; K209-T235 WeakPolarHBondContact CE-O 3.36Å; K209-T235 PolarHBondContact NZ-O 3.49Å; K209-T235 PolarHBondContact NZ-OG1 3.37Å
210G96.9Very high95.1Very high36 Ų3634.4 Ų34.437%0.37119%0.185SC..SBendtrans94.2-24.8-168.900000113.6E206E206-G210 WeakPolarHBondContact O-CA 3.34Å; E206-G210 PolarHBondContact O-N 2.91Å
211E96.4Very high94.6Very high87 Ų8741.6 Ų41.641%0.40721%0.213SC..SBendtrans-141.8151.5-170.962.6177-177.300112.9E206 K209 A215E206-E211 WeakPolarHBondContact CA-O 3.41Å; K209-E211 VanDerWaalsContact C-N 3.33Å; E211-A215 HydrophobicContact CB-CB 4.04Å
212P97.2Very high94.3Very high11 Ų1141.6 Ų41.67%0.07121%0.213CC..  trans-73.3162.7172.334.2-38.5000111.8F179 W180 I202 N214 A215F179-P212 HydrophobicContact CB-CB 3.85Å; F179-P212 HydrophobicContact CB-CG 3.74Å; F179-P212 HydrophobicContact CG-CG 4.13Å; W180-P212 HydrophobicContact CH2-CB 4.48Å; W180-P212 HydrophobicContact CH2-CG 3.76Å; W180-P212 HydrophobicContact CZ2-CB 3.97Å; W180-P212 HydrophobicContact CZ2-CG 3.64Å; W180-P212 HydrophobicContact CZ3-CG 4.36Å; I202-P212 HydrophobicContact CG2-CB 3.71Å; P212-N214 PolarHBondContact O-N 3.25Å; P212-A215 HydrophobicContact CG-CB 4.12Å; P212-A215 WeakPolarHBondContact O-CB 3.42Å; P212-A215 PolarHBondContact O-N 3.29Å
213P96.9Very high93.7Very high25 Ų2542.5 Ų42.516%0.16222%0.217CC..THydrogen-bonded Turntrans-59.4134176.1-22.334.1000112.7I202 I205 P232I202-P213 HydrophobicContact CD1-CG 4.12Å; I205-P213 HydrophobicContact CB-CG 4.43Å; I205-P213 HydrophobicContact CD1-CG 3.78Å; I205-P213 HydrophobicContact CG2-CG 4.11Å; P213-P232 HydrophobicContact CB-CB 3.83Å; P213-P232 HydrophobicContact CB-CG 3.9Å; P213-P232 HydrophobicContact CG-CB 3.56Å; P213-P232 HydrophobicContact CG-CG 3.9Å
214N94.4Very high93.2Very high51 Ų5147.7 Ų47.727%0.27324%0.243SC..THydrogen-bonded Turntrans67.424.3-179.2-34.6-95.9000114.8F179 P212 D216 L217 V222F179-N214 VanDerWaalsContact CE1-O 3.26Å; F179-N214 WeakPolarHBondContact CE1-O 3.33Å; P212-N214 PolarHBondContact O-N 3.25Å; N214-D216 VanDerWaalsContact C-OD1 3.26Å; N214-D216 WeakPolarHBondContact CA-OD1 3.27Å; N214-D216 PolarHBondContact O-N 3.4Å; N214-D216 VanDerWaalsContact O-N 3.17Å; N214-L217 HydrophobicContact CB-CB 4.29Å; N214-L217 HydrophobicContact CB-CD1 3.97Å; N214-L217 HydrophobicContact CB-CG 4.09Å; N214-L217 WeakPolarHBondContact O-CB 3.34Å; N214-L217 PolarHBondContact O-N 2.8Å; N214-V222 HydrophobicContact CB-CG2 4.03Å
215A92.9Very high93Very high5 Ų549.4 Ų49.44%0.04125%0.252CS..THydrogen-bonded Turntrans-56.7-27.3178.600000113.7E211 P212 L217 F350E211-A215 HydrophobicContact CB-CB 4.04Å; P212-A215 HydrophobicContact CG-CB 4.12Å; P212-A215 WeakPolarHBondContact O-CB 3.42Å; P212-A215 PolarHBondContact O-N 3.29Å; A215-L217 PolarHBondContact O-N 2.63Å; A215-F350 HydrophobicContact CB-CE1 4.32Å; A215-F350 HydrophobicContact CB-CZ 3.91Å; A215-F350 WeakPolarHBondContact O-CE1 3.39Å
216D91.8Very high92.7Very high131 Ų13150 Ų5070%0.70126%0.255SS*.THydrogen-bonded Turntrans-68.1-15.2173.366.5-57.5000114.5N214N214-D216 VanDerWaalsContact C-OD1 3.26Å; N214-D216 WeakPolarHBondContact CA-OD1 3.27Å; N214-D216 PolarHBondContact O-N 3.4Å; N214-D216 VanDerWaalsContact O-N 3.17Å
217L90.3Very high92.3Very high27 Ų2751.3 Ų51.314%0.14126%0.264CS..SBendtrans-99.7135.4-174.6-59-169.5000112.6N214 A215 R221 V222 L225N214-L217 HydrophobicContact CB-CB 4.29Å; N214-L217 HydrophobicContact CB-CD1 3.97Å; N214-L217 HydrophobicContact CB-CG 4.09Å; N214-L217 WeakPolarHBondContact O-CB 3.34Å; N214-L217 PolarHBondContact O-N 2.8Å; A215-L217 PolarHBondContact O-N 2.63Å; L217-R221 HydrophobicContact CD1-CG 4.47Å; L217-V222 HydrophobicContact CB-CG2 3.77Å; L217-L225 HydrophobicContact CD1-CD1 3.55Å
218H85.7Confident92.1Very high124 Ų12458.7 Ų58.757%0.57430%0.296SS*.  trans-50131.2175.3-174.3-102.5000112.2I220 R221 V222H218-I220 VanDerWaalsContact C-N 3.3Å; H218-I220 PolarHBondContact O-N 3.15Å; H218-R221 WeakPolarHBondContact O-CA 3.46Å; H218-R221 VanDerWaalsContact O-CB 3.26Å; H218-R221 WeakPolarHBondContact O-CB 3.38Å; H218-R221 PolarHBondContact O-N 3.08Å; H218-V222 PolarHBondContact O-N 3.29Å
219P84.7Confident91.9Very high31 Ų3161.7 Ų61.720%0.20131%0.311CS..Hα-helixtrans-48.1-40.2-171-35.938.2000116.7F174 P178 F179 R221 V222 L223F174-P219 HydrophobicContact CD1-CB 3.71Å; F174-P219 HydrophobicContact CE1-CB 3.33Å; F174-P219 HydrophobicContact CE1-CG 4.44Å; F174-P219 HydrophobicContact CZ-CB 4.09Å; P178-P219 HydrophobicContact CG-CB 3.77Å; P178-P219 WeakPolarHBondContact CG-O 3.3Å; F179-P219 HydrophobicContact CE2-CG 4.49Å; F179-P219 HydrophobicContact CZ-CG 4.2Å; P219-R221 VanDerWaalsContact C-N 3.28Å; P219-R221 PolarHBondContact O-N 3.43Å; P219-V222 PolarHBondContact O-N 2.78Å; P219-V222 VanDerWaalsContact O-N 3.11Å; P219-L223 PolarHBondContact O-N 2.85Å; P219-L223 VanDerWaalsContact O-N 3.09Å
220I83.7Confident91.8Very high82 Ų8263 Ų6342%0.42133%0.329SS..Hα-helixtrans-62.4-34.9178-60.5179.1000111.7F174 H218 M224F174-I220 HydrophobicContact CB-CD1 4.45Å; F174-I220 HydrophobicContact CB-CG1 4.44Å; F174-I220 HydrophobicContact CD2-CD1 4.22Å; F174-I220 HydrophobicContact CD2-CG1 3.64Å; F174-I220 HydrophobicContact CE2-CG1 3.97Å; F174-I220 HydrophobicContact CG-CG1 4.01Å; H218-I220 VanDerWaalsContact C-N 3.3Å; H218-I220 PolarHBondContact O-N 3.15Å; I220-M224 PolarHBondContact O-N 3.23Å
221R89.6Confident91.8Very high152 Ų15263.1 Ų63.157%0.57432%0.323SS*.Hα-helixtrans-67.9-39.6175-172.8176.4178.6179.3-1.4110.6L217 H218 P219 M224 L225L217-R221 HydrophobicContact CD1-CG 4.47Å; H218-R221 WeakPolarHBondContact O-CA 3.46Å; H218-R221 VanDerWaalsContact O-CB 3.26Å; H218-R221 WeakPolarHBondContact O-CB 3.38Å; H218-R221 PolarHBondContact O-N 3.08Å; P219-R221 VanDerWaalsContact C-N 3.28Å; P219-R221 PolarHBondContact O-N 3.43Å; R221-M224 WeakPolarHBondContact O-CB 3.44Å; R221-M224 PolarHBondContact O-N 3.06Å; R221-M224 VanDerWaalsContact O-N 3.08Å; R221-L225 HydrophobicContact CG-CD1 4.07Å; R221-L225 HydrophobicContact CG-CG 4.44Å; R221-L225 WeakPolarHBondContact O-CG 3.37Å; R221-L225 PolarHBondContact O-N 3.03Å; R221-L225 VanDerWaalsContact O-N 3.09Å
222V91Very high91.9Very high0 Ų060.4 Ų60.40%031%0.313CS..Hα-helixtrans-64.6-40.8179.4176.50000111.9P178 F179 N214 L217 H218 P219 M224 L225 I226P178-V222 HydrophobicContact CG-CB 4.27Å; P178-V222 HydrophobicContact CG-CG1 4.31Å; F179-V222 HydrophobicContact CD1-CB 4.43Å; F179-V222 HydrophobicContact CD1-CG1 3.98Å; F179-V222 HydrophobicContact CD1-CG2 3.95Å; F179-V222 HydrophobicContact CE1-CB 4.41Å; F179-V222 HydrophobicContact CE1-CG1 4.45Å; F179-V222 HydrophobicContact CE1-CG2 3.68Å; F179-V222 HydrophobicContact CG-CG1 4.48Å; N214-V222 HydrophobicContact CB-CG2 4.03Å; L217-V222 HydrophobicContact CB-CG2 3.77Å; H218-V222 PolarHBondContact O-N 3.29Å; P219-V222 PolarHBondContact O-N 2.78Å; P219-V222 VanDerWaalsContact O-N 3.11Å; V222-M224 PolarHBondContact O-N 3.38Å; V222-L225 PolarHBondContact O-N 3.15Å; V222-I226 HydrophobicContact CG1-CD1 3.6Å; V222-I226 HydrophobicContact CG1-CG1 4.04Å; V222-I226 PolarHBondContact O-N 2.84Å
223L87Confident91.9Very high21 Ų2165.4 Ų65.411%0.1134%0.336CS..Hα-helixtrans-56.7-33.7170.9-73.7-172.4000113.2F174 P178 M181 I186 P219 P227F174-L223 HydrophobicContact CE2-CD1 3.46Å; F174-L223 VanDerWaalsContact CE2-CD1 3.46Å; F174-L223 HydrophobicContact CE2-CG 4.35Å; F174-L223 HydrophobicContact CZ-CD1 3.54Å; F174-L223 HydrophobicContact CZ-CG 3.99Å; P178-L223 HydrophobicContact CB-CD2 3.55Å; P178-L223 HydrophobicContact CB-CG 4.05Å; P178-L223 HydrophobicContact CG-CD2 4.39Å; P178-L223 HydrophobicContact CG-CG 4.37Å; M181-L223 HydrophobicContact CE-CD2 4.36Å; M181-L223 HydrophobicContact SD-CD2 4.08Å; I186-L223 HydrophobicContact CB-CD2 4.45Å; I186-L223 HydrophobicContact CD1-CD2 3.92Å; I186-L223 HydrophobicContact CG1-CD2 3.76Å; I186-L223 HydrophobicContact CG2-CB 4.42Å; I186-L223 HydrophobicContact CG2-CD2 3.95Å; P219-L223 PolarHBondContact O-N 2.85Å; P219-L223 VanDerWaalsContact O-N 3.09Å; L223-P227 WeakPolarHBondContact O-CD 3.34Å; L223-P227 WeakPolarHBondContact O-CG 3.35Å
224M88.8Confident91.9Very high109 Ų10964.5 Ų64.554%0.53733%0.329SS..Hα-helixtrans-79.5-23.5177.9-65.3-66.2163.700113I220 R221 V222 K228I220-M224 PolarHBondContact O-N 3.23Å; R221-M224 WeakPolarHBondContact O-CB 3.44Å; R221-M224 PolarHBondContact O-N 3.06Å; R221-M224 VanDerWaalsContact O-N 3.08Å; V222-M224 PolarHBondContact O-N 3.38Å; M224-K228 WeakPolarHBondContact O-CD 3.49Å; M224-K228 WeakPolarHBondContact O-CE 3.43Å; M224-K228 VanDerWaalsContact O-CG 3.25Å; M224-K228 WeakPolarHBondContact O-CG 3.43Å
225L93Very high92.1Very high36 Ų3666.2 Ų66.219%0.18834%0.342CS..Hα-helixtrans-90.3-42-177-67.8176.9000113.1L217 R221 V222 K228 N229L217-L225 HydrophobicContact CD1-CD1 3.55Å; R221-L225 HydrophobicContact CG-CD1 4.07Å; R221-L225 HydrophobicContact CG-CG 4.44Å; R221-L225 WeakPolarHBondContact O-CG 3.37Å; R221-L225 PolarHBondContact O-N 3.03Å; R221-L225 VanDerWaalsContact O-N 3.09Å; V222-L225 PolarHBondContact O-N 3.15Å; L225-K228 PolarHBondContact O-N 2.68Å; L225-N229 WeakPolarHBondContact O-CB 3.5Å; L225-N229 PolarHBondContact O-N 3.06Å
226I93.3Very high92.2Very high16 Ų1668.4 Ų68.48%0.08237%0.365CS..THydrogen-bonded Turntrans-54.8-47-177.2-70.1169.3000112.3P178 P183 I186 W198 V222 K228 K252P178-I226 WeakPolarHBondContact O-CD1 3.32Å; P183-I226 HydrophobicContact CB-CG2 4.43Å; P183-I226 HydrophobicContact CG-CG2 3.93Å; I186-I226 HydrophobicContact CD1-CB 3.7Å; I186-I226 HydrophobicContact CD1-CD1 3.91Å; I186-I226 HydrophobicContact CD1-CG1 4.4Å; I186-I226 HydrophobicContact CD1-CG2 3.63Å; W198-I226 HydrophobicContact CZ2-CG2 4.05Å; V222-I226 HydrophobicContact CG1-CD1 3.6Å; V222-I226 HydrophobicContact CG1-CG1 4.04Å; V222-I226 PolarHBondContact O-N 2.84Å; I226-K228 PolarHBondContact O-N 2.79Å; I226-K252 WeakPolarHBondContact O-CE 3.41Å; I226-K252 PolarHBondContact O-NZ 2.75Å
227P90.9Very high92.4Very high31 Ų3170.2 Ų70.220%0.20137%0.374CS..THydrogen-bonded Turntrans-68.5-29.5176.4-21.935.6000114I186 Q187 L223 K252I186-P227 HydrophobicContact CB-CG 4.24Å; I186-P227 HydrophobicContact CD1-CG 4.48Å; I186-P227 HydrophobicContact CG2-CG 3.79Å; Q187-P227 HydrophobicContact CG-CB 3.98Å; Q187-P227 HydrophobicContact CG-CG 4.09Å; L223-P227 WeakPolarHBondContact O-CD 3.34Å; L223-P227 WeakPolarHBondContact O-CG 3.35Å; P227-K252 PolarHBondContact O-NZ 3.22Å
228K92.7Very high92.8Very high157 Ų15770.9 Ų70.968%0.68338%0.376SS*.THydrogen-bonded Turntrans-90.5-52.3-172.3-64.3-177.5-168.3175.50113.9M224 L225 I226M224-K228 WeakPolarHBondContact O-CD 3.49Å; M224-K228 WeakPolarHBondContact O-CE 3.43Å; M224-K228 VanDerWaalsContact O-CG 3.25Å; M224-K228 WeakPolarHBondContact O-CG 3.43Å; L225-K228 PolarHBondContact O-N 2.68Å; I226-K228 PolarHBondContact O-N 2.79Å
229N94.6Very high93.4Very high72 Ų7266.8 Ų66.839%0.38536%0.361SS..SBendtrans-68.3160.2-173.8-72.28.3000112.1L225 K252L225-N229 WeakPolarHBondContact O-CB 3.5Å; L225-N229 PolarHBondContact O-N 3.06Å; N229-K252 WeakPolarHBondContact O-CE 3.43Å; N229-K252 PolarHBondContact O-NZ 2.74Å
230P96.2Very high94.1Very high120 Ų12074.1 Ų74.178%0.77939%0.39SS*.PPolyproline II helixtrans-52.4154.2161.1-23.834.8000111.5
231S96.8Very high94.8Very high37 Ų3772.2 Ų72.226%0.25938%0.382SS..PPolyproline II helixtrans-57.5144176.1-630000111.7L250 K252S231-L250 WeakPolarHBondContact CB-O 3.46Å; S231-L250 PolarHBondContact OG-O 3.17Å; S231-K252 WeakPolarHBondContact OG-CG 3.45Å
232P97.5Very high95.2Very high30 Ų3065 Ų6520%0.19536%0.355CS..PPolyproline II helixtrans-57.9148.3171.7-22.433.2000111.8I202 I205 P213 L250I202-P232 HydrophobicContact CD1-CG 4.16Å; I205-P232 HydrophobicContact CD1-CB 3.95Å; P213-P232 HydrophobicContact CB-CB 3.83Å; P213-P232 HydrophobicContact CB-CG 3.9Å; P213-P232 HydrophobicContact CG-CB 3.56Å; P213-P232 HydrophobicContact CG-CG 3.9Å; P232-L250 HydrophobicContact CB-CD1 4.15Å; P232-L250 VanDerWaalsContact O-CD1 3.29Å; P232-L250 WeakPolarHBondContact O-CD1 3.14Å
233Q97.8Very high95.6Very high117 Ų11767.7 Ų67.755%0.54737%0.367SS..  trans-125.4151.6174.7-62.9-157.8-76.100111.5T235 D247Q233-T235 PolarHBondContact O-N 2.65Å; Q233-D247 PolarHBondContact NE2-OD1 2.79Å; Q233-D247 PolarHBondContact NE2-OD2 3.46Å
234L98.2Very high96.1Very high5 Ų570.4 Ų70.43%0.02638%0.381CS..  trans-75.683.2176.3-178.561.7000111.3I205 A208 F238 F242 K243 V246I205-L234 HydrophobicContact CG1-CD1 4.49Å; A208-L234 HydrophobicContact CB-CD1 3.72Å; L234-F238 HydrophobicContact CD1-CD2 3.57Å; L234-F238 HydrophobicContact CD1-CE2 3.73Å; L234-F238 HydrophobicContact CD1-CG 4.1Å; L234-F238 HydrophobicContact CD1-CZ 4.37Å; L234-F238 HydrophobicContact CD2-CB 3.76Å; L234-F238 HydrophobicContact CD2-CD1 4.47Å; L234-F238 HydrophobicContact CD2-CD2 4.08Å; L234-F238 HydrophobicContact CD2-CG 3.84Å; L234-F238 HydrophobicContact CG-CB 4.07Å; L234-F238 HydrophobicContact CG-CD2 3.61Å; L234-F238 HydrophobicContact CG-CE2 4.29Å; L234-F238 HydrophobicContact CG-CG 3.91Å; L234-F242 HydrophobicContact CD2-CB 4.29Å; L234-F242 HydrophobicContact CD2-CD1 3.38Å; L234-F242 HydrophobicContact CD2-CD2 3.97Å; L234-F242 HydrophobicContact CD2-CE1 3.52Å; L234-F242 HydrophobicContact CD2-CE2 4.09Å; L234-F242 HydrophobicContact CD2-CG 3.61Å; L234-F242 HydrophobicContact CD2-CZ 3.87Å; L234-K243 HydrophobicContact CB-CG 4.12Å; L234-K243 HydrophobicContact CD2-CG 4.26Å; L234-K243 HydrophobicContact CG-CG 4.3Å; L234-K243 WeakPolarHBondContact O-CE 3.39Å; L234-K243 WeakPolarHBondContact O-CG 3.38Å; L234-V246 HydrophobicContact CB-CB 4.26Å; L234-V246 HydrophobicContact CB-CG1 4.24Å; L234-V246 HydrophobicContact CB-CG2 4.17Å; L234-V246 HydrophobicContact CD2-CG2 4.11Å
235T96.8Very high96.6Very high88 Ų8865.2 Ų65.254%0.5436%0.356SS..  trans-79.3148.3173.459.70000112.1K209 Q233 F238K209-T235 WeakPolarHBondContact CE-O 3.36Å; K209-T235 PolarHBondContact NZ-O 3.49Å; K209-T235 PolarHBondContact NZ-OG1 3.37Å; Q233-T235 PolarHBondContact O-N 2.65Å; T235-F238 WeakPolarHBondContact O-CE2 3.45Å
236G95.7Very high96.9Very high50 Ų5063.5 Ų63.552%0.51535%0.347SS..SBendtrans120-178.3-173.400000112.4F238 K243G236-F238 PolarHBondContact O-N 2.97Å; G236-K243 WeakPolarHBondContact O-CE 3.4Å; G236-K243 PolarHBondContact O-NZ 2.72Å
237D96.7Very high97.1Very high169 Ų16965.5 Ų65.590%0.90436%0.358SS*.SBendtrans-8353.1-179.9-164.325.6000113.2
238F98Very high97.5Very high42 Ų4266 Ų6618%0.18436%0.361CS..  trans-93.7149.7173.4-57.8-75.2000111.4E113 A208 L234 T235 G236 F242 K243E113-F238 HydrophobicContact CG-CD1 4.5Å; E113-F238 WeakPolarHBondContact OE1-CA 3.42Å; A208-F238 HydrophobicContact CB-CD1 4.43Å; A208-F238 HydrophobicContact CB-CE1 3.83Å; A208-F238 HydrophobicContact CB-CE2 4.48Å; A208-F238 HydrophobicContact CB-CZ 3.87Å; A208-F238 VanDerWaalsContact O-CZ 3.27Å; A208-F238 WeakPolarHBondContact O-CZ 3.32Å; L234-F238 HydrophobicContact CD1-CD2 3.57Å; L234-F238 HydrophobicContact CD1-CE2 3.73Å; L234-F238 HydrophobicContact CD1-CG 4.1Å; L234-F238 HydrophobicContact CD1-CZ 4.37Å; L234-F238 HydrophobicContact CD2-CB 3.76Å; L234-F238 HydrophobicContact CD2-CD1 4.47Å; L234-F238 HydrophobicContact CD2-CD2 4.08Å; L234-F238 HydrophobicContact CD2-CG 3.84Å; L234-F238 HydrophobicContact CG-CB 4.07Å; L234-F238 HydrophobicContact CG-CD2 3.61Å; L234-F238 HydrophobicContact CG-CE2 4.29Å; L234-F238 HydrophobicContact CG-CG 3.91Å; T235-F238 WeakPolarHBondContact O-CE2 3.45Å; G236-F238 PolarHBondContact O-N 2.97Å; F238-F242 HydrophobicContact CB-CD1 4.11Å; F238-F242 HydrophobicContact CD1-CD1 4.03Å; F238-F242 HydrophobicContact CD1-CE1 4.08Å; F238-F242 HydrophobicContact CG-CD1 4.31Å; F238-K243 HydrophobicContact CB-CG 4.49Å; F238-K243 WeakPolarHBondContact O-CE 3.49Å; F238-K243 PolarHBondContact O-NZ 3.42Å
239S98.4Very high97.8Very high37 Ų3758.5 Ų58.526%0.25933%0.329SS..  trans-61.6144.5-178.380.80000111.4E113 V241 F242 K243E113-S239 PolarHBondContact OE1-N 3.07Å; E113-S239 PolarHBondContact OE1-OG 3.44Å; E113-S239 VanDerWaalsContact OE2-CB 3.3Å; E113-S239 WeakPolarHBondContact OE2-CB 3.33Å; E113-S239 PolarHBondContact OE2-OG 3.29Å; S239-V241 PolarHBondContact O-N 3.04Å; S239-F242 PolarHBondContact O-N 3.04Å; S239-F242 PolarHBondContact OG-N 3.49Å; S239-K243 PolarHBondContact O-N 2.9Å; S239-K243 VanDerWaalsContact O-N 3.09Å
240K98.4Very high98Very high186 Ų18655.2 Ų55.281%0.80931%0.311SS*.Hα-helixtrans-54.3-32.2179.3-64-173.2179.5-175.40112.5D244K240-D244 WeakPolarHBondContact O-CB 3.47Å; K240-D244 PolarHBondContact O-N 3.17Å
241V98.4Very high98Very high41 Ų4151.7 Ų51.725%0.24829%0.288CS..Hα-helixtrans-75.2-27.3-179.7-175.70000112.3S239 F245 H266 S267 F268S239-V241 PolarHBondContact O-N 3.04Å; V241-F245 PolarHBondContact O-N 3.12Å; V241-H266 PolarHBondContact O-CE1 3.49Å; V241-S267 VanDerWaalsContact CG1-C 3.42Å; V241-F268 HydrophobicContact CG1-CB 4.06Å
242F98.7Very high97.9Very high0 Ų052.9 Ų52.90%029%0.288CS..Hα-helixtrans-77.6-41.2172.2-172.2-163.9000111.3E113 I116 L120 A204 A208 L234 F238 S239 D244 F245 V246 F268E113-F242 HydrophobicContact CG-CD1 3.62Å; E113-F242 HydrophobicContact CG-CE1 4.1Å; E113-F242 HydrophobicContact CG-CG 4.46Å; I116-F242 HydrophobicContact CB-CZ 4.48Å; I116-F242 HydrophobicContact CD1-CE1 3.88Å; I116-F242 HydrophobicContact CD1-CZ 4.07Å; I116-F242 HydrophobicContact CG2-CE1 4.46Å; I116-F242 HydrophobicContact CG2-CE2 4.23Å; I116-F242 HydrophobicContact CG2-CZ 3.73Å; L120-F242 HydrophobicContact CD1-CE2 4.27Å; A204-F242 HydrophobicContact CB-CE2 4.19Å; A204-F242 WeakPolarHBondContact O-CZ 3.42Å; A208-F242 HydrophobicContact CB-CE1 3.75Å; A208-F242 HydrophobicContact CB-CZ 3.93Å; L234-F242 HydrophobicContact CD2-CB 4.29Å; L234-F242 HydrophobicContact CD2-CD1 3.38Å; L234-F242 HydrophobicContact CD2-CD2 3.97Å; L234-F242 HydrophobicContact CD2-CE1 3.52Å; L234-F242 HydrophobicContact CD2-CE2 4.09Å; L234-F242 HydrophobicContact CD2-CG 3.61Å; L234-F242 HydrophobicContact CD2-CZ 3.87Å; F238-F242 HydrophobicContact CB-CD1 4.11Å; F238-F242 HydrophobicContact CD1-CD1 4.03Å; F238-F242 HydrophobicContact CD1-CE1 4.08Å; F238-F242 HydrophobicContact CG-CD1 4.31Å; S239-F242 PolarHBondContact O-N 3.04Å; S239-F242 PolarHBondContact OG-N 3.49Å; F242-D244 PolarHBondContact O-N 3.34Å; F242-F245 WeakPolarHBondContact O-CB 3.32Å; F242-F245 PolarHBondContact O-N 3.49Å; F242-V246 HydrophobicContact CD2-CG2 4.26Å; F242-V246 HydrophobicContact CE2-CG2 4.06Å; F242-V246 PolarHBondContact O-N 2.89Å; F242-V246 VanDerWaalsContact O-N 3.12Å; F242-F268 HydrophobicContact CB-CD2 3.74Å; F242-F268 HydrophobicContact CB-CE2 3.51Å; F242-F268 HydrophobicContact CB-CG 4.38Å; F242-F268 HydrophobicContact CB-CZ 3.93Å; F242-F268 HydrophobicContact CD1-CE2 4.15Å; F242-F268 AromaticContact CD1-CZ 3.87Å; F242-F268 HydrophobicContact CD1-CZ 3.87Å; F242-F268 AromaticContact CD2-CD1 3.74Å; F242-F268 HydrophobicContact CD2-CD1 3.74Å; F242-F268 HydrophobicContact CD2-CD2 4.22Å; F242-F268 AromaticContact CD2-CE1 3.24Å; F242-F268 HydrophobicContact CD2-CE1 3.24Å; F242-F268 AromaticContact CD2-CE2 3.8Å; F242-F268 HydrophobicContact CD2-CE2 3.8Å; F242-F268 HydrophobicContact CD2-CG 4.2Å; F242-F268 AromaticContact CD2-CZ 3.28Å; F242-F268 HydrophobicContact CD2-CZ 3.28Å; F242-F268 HydrophobicContact CE1-CZ 4.2Å; F242-F268 HydrophobicContact CE2-CD1 4.26Å; F242-F268 AromaticContact CE2-CE1 3.47Å; F242-F268 HydrophobicContact CE2-CE1 3.47Å; F242-F268 VanDerWaalsContact CE2-CE1 3.47Å; F242-F268 AromaticContact CE2-CZ 3.67Å; F242-F268 HydrophobicContact CE2-CZ 3.67Å; F242-F268 HydrophobicContact CG-CD1 4.45Å; F242-F268 HydrophobicContact CG-CD2 4.14Å; F242-F268 AromaticContact CG-CE1 3.9Å; F242-F268 HydrophobicContact CG-CE1 3.9Å; F242-F268 AromaticContact CG-CE2 3.56Å; F242-F268 HydrophobicContact CG-CE2 3.56Å; F242-F268 AromaticContact CG-CZ 3.41Å; F242-F268 HydrophobicContact CG-CZ 3.41Å; F242-F268 VanDerWaalsContact CG-CZ 3.41Å; F242-F268 HydrophobicContact CZ-CE1 4.27Å; F242-F268 HydrophobicContact CZ-CZ 4.13Å
243K98.8Very high97.8Very high58 Ų5854.8 Ų54.825%0.25230%0.299SS..Hα-helixtrans-57.3-49.3173.3-71.8165.9170.8151.40111.8L234 G236 F238 S239 F245 V246 D247L234-K243 HydrophobicContact CB-CG 4.12Å; L234-K243 HydrophobicContact CD2-CG 4.26Å; L234-K243 HydrophobicContact CG-CG 4.3Å; L234-K243 WeakPolarHBondContact O-CE 3.39Å; L234-K243 WeakPolarHBondContact O-CG 3.38Å; G236-K243 WeakPolarHBondContact O-CE 3.4Å; G236-K243 PolarHBondContact O-NZ 2.72Å; F238-K243 HydrophobicContact CB-CG 4.49Å; F238-K243 WeakPolarHBondContact O-CE 3.49Å; F238-K243 PolarHBondContact O-NZ 3.42Å; S239-K243 PolarHBondContact O-N 2.9Å; S239-K243 VanDerWaalsContact O-N 3.09Å; K243-F245 VanDerWaalsContact C-N 3.31Å; K243-F245 PolarHBondContact O-N 2.97Å; K243-V246 PolarHBondContact O-N 3.33Å; K243-D247 PolarHBondContact O-N 3.25Å
244D98.6Very high97.7Very high78 Ų7850.4 Ų50.442%0.41728%0.28SS..Hα-helixtrans-52.6-41.6172.7-177.859.5000113.1K240 F242 C248 H266K240-D244 WeakPolarHBondContact O-CB 3.47Å; K240-D244 PolarHBondContact O-N 3.17Å; F242-D244 PolarHBondContact O-N 3.34Å; D244-C248 WeakPolarHBondContact O-CB 3.48Å; D244-C248 PolarHBondContact O-N 2.86Å; D244-C248 PolarHBondContact O-SG 2.77Å; D244-C248 VanDerWaalsContact O-SG 3.32Å; D244-H266 IonicContact OD2-CE1 3.57Å; D244-H266 PolarHBondContact OD2-CE1 2.83Å; D244-H266 VanDerWaalsContact OD2-CE1 3.32Å; D244-H266 IonicContact OD2-NE2 3.53Å; D244-H266 PolarHBondContact OD2-NE2 3.41Å; D244-H266 VanDerWaalsContact OD2-NE2 3.1Å
245F98.8Very high97.5Very high0 Ų056.8 Ų56.80%031%0.31CS..Hα-helixtrans-62.9-44.3173.8176.6-92000112.5L120 L124 A204 V241 F242 K243 C248 C249 L263 H266 F268 I269L120-F245 HydrophobicContact CD1-CD1 4.36Å; L120-F245 HydrophobicContact CD1-CE1 3.78Å; L120-F245 HydrophobicContact CD1-CZ 4.36Å; L120-F245 HydrophobicContact CD2-CE1 4.48Å; L124-F245 HydrophobicContact CD1-CE2 3.94Å; L124-F245 HydrophobicContact CD1-CZ 4.02Å; A204-F245 HydrophobicContact CB-CD1 4.37Å; A204-F245 HydrophobicContact CB-CE1 4.06Å; V241-F245 PolarHBondContact O-N 3.12Å; F242-F245 WeakPolarHBondContact O-CB 3.32Å; F242-F245 PolarHBondContact O-N 3.49Å; K243-F245 VanDerWaalsContact C-N 3.31Å; K243-F245 PolarHBondContact O-N 2.97Å; F245-C248 PolarHBondContact O-N 3.03Å; F245-C249 PolarHBondContact O-N 3.09Å; F245-C249 VanDerWaalsContact O-N 3.17Å; F245-C249 PolarHBondContact O-SG 3.5Å; F245-C249 VanDerWaalsContact O-SG 3.32Å; F245-L263 HydrophobicContact CD2-CD2 4.06Å; F245-L263 HydrophobicContact CE2-CB 4.22Å; F245-L263 HydrophobicContact CE2-CD2 3.82Å; F245-L263 HydrophobicContact CE2-CG 4.41Å; F245-H266 HydrophobicContact CD2-CB 4.11Å; F245-H266 AromaticContact CD2-CG 3.86Å; F245-H266 AromaticContact CD2-ND1 3.68Å; F245-H266 PolarHBondContact N-CE1 3.11Å; F245-F268 HydrophobicContact CB-CB 4.01Å; F245-F268 HydrophobicContact CB-CD1 4.24Å; F245-F268 HydrophobicContact CB-CG 4.37Å; F245-F268 HydrophobicContact CD1-CD1 4.33Å; F245-F268 HydrophobicContact CD2-CB 4.5Å; F245-F268 HydrophobicContact CG-CB 4.41Å; F245-F268 HydrophobicContact CG-CD1 4.1Å; F245-I269 HydrophobicContact CD2-CD1 4.26Å; F245-I269 HydrophobicContact CD2-CG1 3.94Å; F245-I269 HydrophobicContact CE2-CD1 3.71Å; F245-I269 HydrophobicContact CE2-CG1 3.55Å; F245-I269 HydrophobicContact CZ-CD1 4.04Å; F245-I269 HydrophobicContact CZ-CG1 4.36Å
246V98.9Very high97.5Very high0 Ų058.1 Ų58.10%031%0.314CS..Hα-helixtrans-67.2-44.2179.9172.70000111A204 I205 L234 F242 K243 C248 C249 L250A204-V246 HydrophobicContact CB-CG2 3.9Å; I205-V246 HydrophobicContact CD1-CG1 3.8Å; I205-V246 HydrophobicContact CG1-CG1 3.73Å; I205-V246 HydrophobicContact CG1-CG2 4.48Å; L234-V246 HydrophobicContact CB-CB 4.26Å; L234-V246 HydrophobicContact CB-CG1 4.24Å; L234-V246 HydrophobicContact CB-CG2 4.17Å; L234-V246 HydrophobicContact CD2-CG2 4.11Å; F242-V246 HydrophobicContact CD2-CG2 4.26Å; F242-V246 HydrophobicContact CE2-CG2 4.06Å; F242-V246 PolarHBondContact O-N 2.89Å; F242-V246 VanDerWaalsContact O-N 3.12Å; K243-V246 PolarHBondContact O-N 3.33Å; V246-C248 VanDerWaalsContact C-N 3.33Å; V246-C248 PolarHBondContact O-N 3.32Å; V246-C249 PolarHBondContact O-N 3.1Å; V246-L250 HydrophobicContact CG1-CD1 3.68Å; V246-L250 HydrophobicContact CG1-CG 4.3Å; V246-L250 WeakPolarHBondContact O-CB 3.46Å; V246-L250 WeakPolarHBondContact O-CG 3.37Å; V246-L250 PolarHBondContact O-N 3.32Å
247D98.6Very high97.6Very high58 Ų5855.9 Ų55.931%0.3129%0.29SS..Hα-helixtrans-61.6-39.2177.4-69.4-37.5000111.7Q233 K243 T251Q233-D247 PolarHBondContact NE2-OD1 2.79Å; Q233-D247 PolarHBondContact NE2-OD2 3.46Å; K243-D247 PolarHBondContact O-N 3.25Å; D247-T251 PolarHBondContact O-N 2.96Å; D247-T251 PolarHBondContact O-OG1 3.31Å
248C98.5Very high97.7Very high41 Ų4149.1 Ų49.128%0.27726%0.256SS..Hα-helixtrans-60.2-47.3171.8-76.90000112.7D244 F245 V246 T251 P258 L263D244-C248 WeakPolarHBondContact O-CB 3.48Å; D244-C248 PolarHBondContact O-N 2.86Å; D244-C248 PolarHBondContact O-SG 2.77Å; D244-C248 VanDerWaalsContact O-SG 3.32Å; F245-C248 PolarHBondContact O-N 3.03Å; V246-C248 VanDerWaalsContact C-N 3.33Å; V246-C248 PolarHBondContact O-N 3.32Å; C248-T251 PolarHBondContact O-OG1 3.36Å; C248-P258 HydrophobicContact CB-CG 4.24Å; C248-P258 WeakPolarHBondContact O-CD 3.04Å; C248-L263 HydrophobicContact CB-CD2 4.44Å
249C98.8Very high97.8Very high0 Ų048.8 Ų48.80%026%0.257CS..Hα-helixtrans-66.4-38.3179.7-68.20000112.7I197 G201 F245 V246 T251 L263I197-C249 HydrophobicContact CG2-CB 4.41Å; G201-C249 VanDerWaalsContact CA-CB 3.47Å; F245-C249 PolarHBondContact O-N 3.09Å; F245-C249 VanDerWaalsContact O-N 3.17Å; F245-C249 PolarHBondContact O-SG 3.5Å; F245-C249 VanDerWaalsContact O-SG 3.32Å; V246-C249 PolarHBondContact O-N 3.1Å; C249-T251 VanDerWaalsContact C-N 3.32Å; C249-T251 PolarHBondContact O-N 3.32Å; C249-L263 VanDerWaalsContact SG-CD1 3.54Å
250L98.6Very high97.8Very high3 Ų347.1 Ų47.12%0.01625%0.245CC..THydrogen-bonded Turntrans-92.322.9-175-60.3-179000113.8W198 I202 I205 S231 P232 V246 K252W198-L250 HydrophobicContact CD2-CD2 3.71Å; W198-L250 HydrophobicContact CE3-CB 4.41Å; W198-L250 HydrophobicContact CE3-CD2 3.99Å; W198-L250 HydrophobicContact CG-CD2 4.05Å; W198-L250 HydrophobicContact CZ2-CD2 4.31Å; W198-L250 HydrophobicContact CZ3-CB 4.26Å; W198-L250 HydrophobicContact CZ3-CD2 4.4Å; W198-L250 VanDerWaalsContact CZ3-O 3.24Å; W198-L250 WeakPolarHBondContact CZ3-O 3.39Å; W198-L250 WeakPolarHBondContact O-CD2 3.16Å; I202-L250 HydrophobicContact CD1-CD1 4.09Å; I202-L250 HydrophobicContact CD1-CD2 3.72Å; I202-L250 HydrophobicContact CG1-CD2 3.95Å; I205-L250 HydrophobicContact CD1-CD1 3.73Å; S231-L250 WeakPolarHBondContact CB-O 3.46Å; S231-L250 PolarHBondContact OG-O 3.17Å; P232-L250 HydrophobicContact CB-CD1 4.15Å; P232-L250 VanDerWaalsContact O-CD1 3.29Å; P232-L250 WeakPolarHBondContact O-CD1 3.14Å; V246-L250 HydrophobicContact CG1-CD1 3.68Å; V246-L250 HydrophobicContact CG1-CG 4.3Å; V246-L250 WeakPolarHBondContact O-CB 3.46Å; V246-L250 WeakPolarHBondContact O-CG 3.37Å; V246-L250 PolarHBondContact O-N 3.32Å; L250-K252 PolarHBondContact O-N 2.83Å
251T97.7Very high97.8Very high46 Ų4642.1 Ų42.128%0.28223%0.225SC..  trans-66.5121.9169.8-71.40000110.4D247 C248 C249 V253 N256 R257D247-T251 PolarHBondContact O-N 2.96Å; D247-T251 PolarHBondContact O-OG1 3.31Å; C248-T251 PolarHBondContact O-OG1 3.36Å; C249-T251 VanDerWaalsContact C-N 3.32Å; C249-T251 PolarHBondContact O-N 3.32Å; T251-V253 PolarHBondContact O-N 2.92Å; T251-N256 HydrophobicContact CG2-CB 3.72Å; T251-R257 WeakPolarHBondContact O-CG 3.5Å; T251-R257 PolarHBondContact O-NE 2.99Å
252K94.4Very high97.8Very high62 Ų6245.1 Ų45.127%0.2724%0.236SC..SBendtrans-59.3-45.5-173.6-81.6-157165.1-175.70114.2P183 W198 I226 P227 N229 S231 L250 P254 R257P183-K252 HydrophobicContact CG-CG 4.37Å; W198-K252 HydrophobicContact CH2-CG 4.37Å; W198-K252 HydrophobicContact CZ3-CG 4.14Å; I226-K252 WeakPolarHBondContact O-CE 3.41Å; I226-K252 PolarHBondContact O-NZ 2.75Å; P227-K252 PolarHBondContact O-NZ 3.22Å; N229-K252 WeakPolarHBondContact O-CE 3.43Å; N229-K252 PolarHBondContact O-NZ 2.74Å; S231-K252 WeakPolarHBondContact OG-CG 3.45Å; L250-K252 PolarHBondContact O-N 2.83Å; K252-P254 VanDerWaalsContact O-CD 3.29Å; K252-P254 WeakPolarHBondContact O-CD 3.32Å; K252-R257 PolarHBondContact O-NH2 2.74Å
253V94.8Very high97.8Very high70 Ų7045.2 Ų45.242%0.42424%0.237SC..SBendtrans-68.5111.8-179.5177.50000109.3T251 E255 N256 R257T251-V253 PolarHBondContact O-N 2.92Å; V253-E255 VanDerWaalsContact C-N 3.27Å; V253-E255 HydrophobicContact CG1-CB 4.34Å; V253-E255 WeakPolarHBondContact CG1-OE2 3Å; V253-E255 PolarHBondContact O-N 3.29Å; V253-N256 HydrophobicContact CB-CB 4.19Å; V253-N256 HydrophobicContact CG1-CB 4.22Å; V253-N256 PolarHBondContact O-N 3.12Å; V253-N256 VanDerWaalsContact O-N 3.1Å; V253-R257 PolarHBondContact O-N 3.16Å
254P95.3Very high97.8Very high24 Ų2444.5 Ų44.516%0.15624%0.235CC..G310 helixtrans-60.6-34.2-172-23.433.5000113.7E184 K194 K252 N256 R257E184-P254 HydrophobicContact CB-CG 4.33Å; E184-P254 HydrophobicContact CG-CG 3.93Å; K194-P254 HydrophobicContact CB-CB 4.09Å; K194-P254 WeakPolarHBondContact CG-O 3.26Å; K194-P254 PolarHBondContact NZ-O 3.32Å; K252-P254 VanDerWaalsContact O-CD 3.29Å; K252-P254 WeakPolarHBondContact O-CD 3.32Å; P254-N256 VanDerWaalsContact C-N 3.27Å; P254-N256 PolarHBondContact O-N 3.23Å; P254-R257 PolarHBondContact O-N 2.99Å
255E95Very high97.8Very high139 Ų13947.2 Ų47.265%0.6524%0.239SC*.G310 helixtrans-60.2-40.1178.1-60.872.7-160.600110.9K194 V253K194-E255 PolarHBondContact NZ-O 2.84Å; K194-E255 VanDerWaalsContact NZ-O 3.12Å; V253-E255 VanDerWaalsContact C-N 3.27Å; V253-E255 HydrophobicContact CG1-CB 4.34Å; V253-E255 WeakPolarHBondContact CG1-OE2 3Å; V253-E255 PolarHBondContact O-N 3.29Å
256N97.2Very high97.8Very high116 Ų11648.5 Ų48.562%0.6225%0.245SC*.G310 helixtrans-80.6-13.8-178.1-66.8-13.7000113.7T251 V253 P254T251-N256 HydrophobicContact CG2-CB 3.72Å; V253-N256 HydrophobicContact CB-CB 4.19Å; V253-N256 HydrophobicContact CG1-CB 4.22Å; V253-N256 PolarHBondContact O-N 3.12Å; V253-N256 VanDerWaalsContact O-N 3.1Å; P254-N256 VanDerWaalsContact C-N 3.27Å; P254-N256 PolarHBondContact O-N 3.23Å
257R97.9Very high97.8Very high3 Ų351.8 Ų51.81%0.01127%0.268CS..SBendtrans-67.2135.3170.9-64.4179.3-152.514512.7109.3E184 K194 I197 T251 K252 V253 P254E184-R257 VanDerWaalsContact CD-NH2 3.32Å; E184-R257 IonicContact OE1-CZ 2.7Å; E184-R257 IonicContact OE1-NH1 2.7Å; E184-R257 PolarHBondContact OE1-NH1 3.06Å; E184-R257 IonicContact OE1-NH2 3.81Å; E184-R257 PolarHBondContact OE1-NH2 2.65Å; E184-R257 IonicContact OE2-CZ 2.92Å; E184-R257 IonicContact OE2-NH1 3.47Å; E184-R257 IonicContact OE2-NH2 2.62Å; E184-R257 PolarHBondContact OE2-NH2 2.82Å; K194-R257 HydrophobicContact CD-CB 4.27Å; K194-R257 WeakPolarHBondContact CE-O 3.46Å; K194-R257 PolarHBondContact NZ-O 3.2Å; K194-R257 PolarHBondContact O-NH1 3.16Å; I197-R257 HydrophobicContact CG2-CB 4.38Å; T251-R257 WeakPolarHBondContact O-CG 3.5Å; T251-R257 PolarHBondContact O-NE 2.99Å; K252-R257 PolarHBondContact O-NH2 2.74Å; V253-R257 PolarHBondContact O-N 3.16Å; P254-R257 PolarHBondContact O-N 2.99Å
258P98.5Very high97.8Very high28 Ų2849 Ų4918%0.18225%0.254CS..PPolyproline II helixtrans-63.5154.717228.4-35000111.4C248 E262 L263C248-P258 HydrophobicContact CB-CG 4.24Å; C248-P258 WeakPolarHBondContact O-CD 3.04Å; P258-E262 HydrophobicContact CB-CB 3.98Å; P258-L263 HydrophobicContact CB-CD2 4.26Å; P258-L263 HydrophobicContact CB-CG 4.05Å; P258-L263 HydrophobicContact CG-CD1 4.1Å; P258-L263 HydrophobicContact CG-CD2 3.51Å; P258-L263 HydrophobicContact CG-CG 3.64Å
259T98.7Very high97.8Very high35 Ų3547.2 Ų47.222%0.21524%0.241CC..PPolyproline II helixtrans-70.5162.2168.160.80000111.4F193 H261 E262 L263F193-T259 HydrophobicContact CE2-CG2 4.02Å; F193-T259 HydrophobicContact CZ-CG2 4.27Å; T259-H261 PolarHBondContact O-N 2.89Å; T259-E262 WeakPolarHBondContact CB-OE2 3.21Å; T259-E262 WeakPolarHBondContact CG2-OE2 3.47Å; T259-E262 PolarHBondContact N-OE2 2.81Å; T259-E262 PolarHBondContact O-N 2.82Å; T259-E262 VanDerWaalsContact O-N 3.08Å; T259-E262 WeakPolarHBondContact OG1-CG 3.34Å; T259-E262 PolarHBondContact OG1-N 3.5Å; T259-E262 VanDerWaalsContact OG1-N 3.15Å; T259-E262 PolarHBondContact OG1-OE2 2.85Å; T259-L263 PolarHBondContact O-N 2.92Å
260A98.7Very high97.7Very high1 Ų154.2 Ų54.21%0.00827%0.272CS..Hα-helixtrans-55.7-39.6170.700000111.4L124 L127 D128 I197 E262 L263 L264L124-A260 HydrophobicContact CD2-CB 4.13Å; L127-A260 HydrophobicContact CB-CB 3.82Å; D128-A260 HydrophobicContact CB-CB 4.15Å; I197-A260 HydrophobicContact CD1-CB 3.95Å; A260-E262 VanDerWaalsContact C-N 3.33Å; A260-E262 PolarHBondContact O-N 2.84Å; A260-L263 PolarHBondContact O-N 3.12Å; A260-L264 WeakPolarHBondContact O-CG 3.46Å; A260-L264 PolarHBondContact O-N 2.81Å
261H98.5Very high97.5Very high82 Ų8259.7 Ų59.738%0.3830%0.295SS..Hα-helixtrans-54.7-43.4174-159.160.4000113.3D128 T259 R265D128-H261 VanDerWaalsContact OD1-CB 3.27Å; D128-H261 WeakPolarHBondContact OD1-CB 3.45Å; D128-H261 IonicContact OD1-CG 3.38Å; D128-H261 IonicContact OD1-ND1 3.69Å; D128-H261 PolarHBondContact OD1-ND1 3.23Å; D128-H261 IonicContact OD2-CE1 2.68Å; D128-H261 IonicContact OD2-CG 2.67Å; D128-H261 IonicContact OD2-ND1 3.12Å; D128-H261 PolarHBondContact OD2-ND1 3.21Å; T259-H261 PolarHBondContact O-N 2.89Å; H261-R265 PolarHBondContact CD2-NH1 3.19Å; H261-R265 PolarHBondContact NE2-NH1 3.43Å; H261-R265 PolarHBondContact NE2-NH2 2.92Å; H261-R265 PolarHBondContact O-NH1 2.83Å
262E98.7Very high97.5Very high103 Ų10358.2 Ų58.248%0.48129%0.288SS..Hα-helixtrans-74.6-40.7178.6-72.2159.4126.300111.8P258 T259 A260 L264 R265P258-E262 HydrophobicContact CB-CB 3.98Å; T259-E262 WeakPolarHBondContact CB-OE2 3.21Å; T259-E262 WeakPolarHBondContact CG2-OE2 3.47Å; T259-E262 PolarHBondContact N-OE2 2.81Å; T259-E262 PolarHBondContact O-N 2.82Å; T259-E262 VanDerWaalsContact O-N 3.08Å; T259-E262 WeakPolarHBondContact OG1-CG 3.34Å; T259-E262 PolarHBondContact OG1-N 3.5Å; T259-E262 VanDerWaalsContact OG1-N 3.15Å; T259-E262 PolarHBondContact OG1-OE2 2.85Å; A260-E262 VanDerWaalsContact C-N 3.33Å; A260-E262 PolarHBondContact O-N 2.84Å; E262-L264 VanDerWaalsContact C-N 3.27Å; E262-L264 PolarHBondContact O-N 3.26Å; E262-R265 WeakPolarHBondContact O-CA 3.46Å; E262-R265 VanDerWaalsContact O-CB 3.32Å; E262-R265 WeakPolarHBondContact O-CB 3.36Å; E262-R265 PolarHBondContact O-N 3.15Å
263L98.8Very high97.6Very high3 Ų361.9 Ų61.92%0.01630%0.3CS..Hα-helixtrans-62.8-30175.9-73.3173000113.2L124 I197 F245 C248 C249 P258 T259 A260 R265 H266 I269L124-L263 HydrophobicContact CD1-CB 3.76Å; L124-L263 HydrophobicContact CD2-CB 3.78Å; L124-L263 HydrophobicContact CD2-CD1 3.81Å; L124-L263 HydrophobicContact CD2-CG 4.47Å; L124-L263 HydrophobicContact CG-CB 4.42Å; I197-L263 HydrophobicContact CD1-CD1 4.39Å; I197-L263 HydrophobicContact CG2-CD1 3.74Å; F245-L263 HydrophobicContact CD2-CD2 4.06Å; F245-L263 HydrophobicContact CE2-CB 4.22Å; F245-L263 HydrophobicContact CE2-CD2 3.82Å; F245-L263 HydrophobicContact CE2-CG 4.41Å; C248-L263 HydrophobicContact CB-CD2 4.44Å; C249-L263 VanDerWaalsContact SG-CD1 3.54Å; P258-L263 HydrophobicContact CB-CD2 4.26Å; P258-L263 HydrophobicContact CB-CG 4.05Å; P258-L263 HydrophobicContact CG-CD1 4.1Å; P258-L263 HydrophobicContact CG-CD2 3.51Å; P258-L263 HydrophobicContact CG-CG 3.64Å; T259-L263 PolarHBondContact O-N 2.92Å; A260-L263 PolarHBondContact O-N 3.12Å; L263-R265 PolarHBondContact O-N 3.49Å; L263-R265 VanDerWaalsContact O-N 3.12Å; L263-H266 WeakPolarHBondContact O-CB 3.29Å; L263-H266 PolarHBondContact O-N 2.78Å; L263-I269 WeakPolarHBondContact O-CG1 3.39Å
264L98.7Very high97.8Very high43 Ų4366.9 Ų66.923%0.22532%0.316CS..THydrogen-bonded Turntrans-59.7-19.3169.9-74.3171.6000113.4R121 L124 K125 D128 A260 E262 I269R121-L264 HydrophobicContact CG-CD2 4.04Å; R121-L264 WeakPolarHBondContact O-CD2 3.46Å; L124-L264 HydrophobicContact CB-CD2 3.62Å; L124-L264 HydrophobicContact CB-CG 3.92Å; K125-L264 HydrophobicContact CG-CD1 4.26Å; K125-L264 HydrophobicContact CG-CD2 3.85Å; D128-L264 HydrophobicContact CB-CD1 4.11Å; A260-L264 WeakPolarHBondContact O-CG 3.46Å; A260-L264 PolarHBondContact O-N 2.81Å; E262-L264 VanDerWaalsContact C-N 3.27Å; E262-L264 PolarHBondContact O-N 3.26Å; L264-I269 HydrophobicContact CD2-CG2 4.43Å
265R98.5Very high97.9Very high134 Ų13467.2 Ų67.251%0.50632%0.317SS..THydrogen-bonded Turntrans-94.2-1.2173.9-57.1174.1173.478.2-8.7113H261 E262 L263 K270H261-R265 PolarHBondContact CD2-NH1 3.19Å; H261-R265 PolarHBondContact NE2-NH1 3.43Å; H261-R265 PolarHBondContact NE2-NH2 2.92Å; H261-R265 PolarHBondContact O-NH1 2.83Å; E262-R265 WeakPolarHBondContact O-CA 3.46Å; E262-R265 VanDerWaalsContact O-CB 3.32Å; E262-R265 WeakPolarHBondContact O-CB 3.36Å; E262-R265 PolarHBondContact O-N 3.15Å; L263-R265 PolarHBondContact O-N 3.49Å; L263-R265 VanDerWaalsContact O-N 3.12Å; R265-K270 WeakPolarHBondContact O-CD 3.39Å; R265-K270 WeakPolarHBondContact O-CE 3.38Å; R265-K270 PolarHBondContact O-NZ 3.09Å
266H98.8Very high98Very high27 Ų2763 Ų6313%0.12531%0.307CS..SBendtrans-64.9149-176-164.5-98.4000112.7V241 D244 F245 L263 F268 I269 K270V241-H266 PolarHBondContact O-CE1 3.49Å; D244-H266 IonicContact OD2-CE1 3.57Å; D244-H266 PolarHBondContact OD2-CE1 2.83Å; D244-H266 VanDerWaalsContact OD2-CE1 3.32Å; D244-H266 IonicContact OD2-NE2 3.53Å; D244-H266 PolarHBondContact OD2-NE2 3.41Å; D244-H266 VanDerWaalsContact OD2-NE2 3.1Å; F245-H266 HydrophobicContact CD2-CB 4.11Å; F245-H266 AromaticContact CD2-CG 3.86Å; F245-H266 AromaticContact CD2-ND1 3.68Å; F245-H266 PolarHBondContact N-CE1 3.11Å; L263-H266 WeakPolarHBondContact O-CB 3.29Å; L263-H266 PolarHBondContact O-N 2.78Å; H266-F268 WeakPolarHBondContact ND1-CB 3.38Å; H266-F268 PolarHBondContact ND1-N 2.91Å; H266-F268 VanDerWaalsContact ND1-N 3.2Å; H266-F268 PolarHBondContact O-N 2.98Å; H266-I269 HydrophobicContact CB-CB 4.42Å; H266-I269 HydrophobicContact CB-CG1 4.22Å; H266-I269 PolarHBondContact O-N 2.75Å; H266-K270 WeakPolarHBondContact O-CB 3.46Å; H266-K270 WeakPolarHBondContact O-CG 3.3Å; H266-K270 PolarHBondContact O-N 2.77Å
267S98.3Very high97.9Very high69 Ų6960.4 Ų60.448%0.48329%0.29SS..THydrogen-bonded Turntrans-64.9-20.9-177.5-65.30000113.9V241V241-S267 VanDerWaalsContact CG1-C 3.42Å
268F98.6Very high97.9Very high1 Ų160.2 Ų60.20%0.00429%0.289CS..THydrogen-bonded Turntrans-75.6-54.3171.1-172.1-122.8000111.1E113 L120 V241 F242 F245 H266 K270 K271E113-F268 HydrophobicContact CB-CE2 4.13Å; E113-F268 HydrophobicContact CB-CZ 4.32Å; E113-F268 HydrophobicContact CG-CE2 4.31Å; E113-F268 HydrophobicContact CG-CZ 4.48Å; L120-F268 HydrophobicContact CD1-CE1 4.04Å; V241-F268 HydrophobicContact CG1-CB 4.06Å; F242-F268 HydrophobicContact CB-CD2 3.74Å; F242-F268 HydrophobicContact CB-CE2 3.51Å; F242-F268 HydrophobicContact CB-CG 4.38Å; F242-F268 HydrophobicContact CB-CZ 3.93Å; F242-F268 HydrophobicContact CD1-CE2 4.15Å; F242-F268 AromaticContact CD1-CZ 3.87Å; F242-F268 HydrophobicContact CD1-CZ 3.87Å; F242-F268 AromaticContact CD2-CD1 3.74Å; F242-F268 HydrophobicContact CD2-CD1 3.74Å; F242-F268 HydrophobicContact CD2-CD2 4.22Å; F242-F268 AromaticContact CD2-CE1 3.24Å; F242-F268 HydrophobicContact CD2-CE1 3.24Å; F242-F268 AromaticContact CD2-CE2 3.8Å; F242-F268 HydrophobicContact CD2-CE2 3.8Å; F242-F268 HydrophobicContact CD2-CG 4.2Å; F242-F268 AromaticContact CD2-CZ 3.28Å; F242-F268 HydrophobicContact CD2-CZ 3.28Å; F242-F268 HydrophobicContact CE1-CZ 4.2Å; F242-F268 HydrophobicContact CE2-CD1 4.26Å; F242-F268 AromaticContact CE2-CE1 3.47Å; F242-F268 HydrophobicContact CE2-CE1 3.47Å; F242-F268 VanDerWaalsContact CE2-CE1 3.47Å; F242-F268 AromaticContact CE2-CZ 3.67Å; F242-F268 HydrophobicContact CE2-CZ 3.67Å; F242-F268 HydrophobicContact CG-CD1 4.45Å; F242-F268 HydrophobicContact CG-CD2 4.14Å; F242-F268 AromaticContact CG-CE1 3.9Å; F242-F268 HydrophobicContact CG-CE1 3.9Å; F242-F268 AromaticContact CG-CE2 3.56Å; F242-F268 HydrophobicContact CG-CE2 3.56Å; F242-F268 AromaticContact CG-CZ 3.41Å; F242-F268 HydrophobicContact CG-CZ 3.41Å; F242-F268 VanDerWaalsContact CG-CZ 3.41Å; F242-F268 HydrophobicContact CZ-CE1 4.27Å; F242-F268 HydrophobicContact CZ-CZ 4.13Å; F245-F268 HydrophobicContact CB-CB 4.01Å; F245-F268 HydrophobicContact CB-CD1 4.24Å; F245-F268 HydrophobicContact CB-CG 4.37Å; F245-F268 HydrophobicContact CD1-CD1 4.33Å; F245-F268 HydrophobicContact CD2-CB 4.5Å; F245-F268 HydrophobicContact CG-CB 4.41Å; F245-F268 HydrophobicContact CG-CD1 4.1Å; H266-F268 WeakPolarHBondContact ND1-CB 3.38Å; H266-F268 PolarHBondContact ND1-N 2.91Å; H266-F268 VanDerWaalsContact ND1-N 3.2Å; H266-F268 PolarHBondContact O-N 2.98Å; F268-K270 VanDerWaalsContact C-N 3.25Å; F268-K270 PolarHBondContact O-N 3.13Å; F268-K271 WeakPolarHBondContact O-CB 3.31Å; F268-K271 PolarHBondContact O-N 2.95Å
269I98.6Very high97.9Very high3 Ų363.1 Ų63.12%0.01530%0.3CS..G310 helixtrans-62.7-31.5-177.1-59.8-57.2000112L120 R121 L124 F245 L263 L264 H266 K271 A272L120-I269 HydrophobicContact CB-CD1 3.82Å; R121-I269 HydrophobicContact CB-CG2 3.76Å; R121-I269 HydrophobicContact CG-CG2 3.58Å; L124-I269 HydrophobicContact CD1-CD1 3.83Å; L124-I269 HydrophobicContact CD1-CG1 3.81Å; F245-I269 HydrophobicContact CD2-CD1 4.26Å; F245-I269 HydrophobicContact CD2-CG1 3.94Å; F245-I269 HydrophobicContact CE2-CD1 3.71Å; F245-I269 HydrophobicContact CE2-CG1 3.55Å; F245-I269 HydrophobicContact CZ-CD1 4.04Å; F245-I269 HydrophobicContact CZ-CG1 4.36Å; L263-I269 WeakPolarHBondContact O-CG1 3.39Å; L264-I269 HydrophobicContact CD2-CG2 4.43Å; H266-I269 HydrophobicContact CB-CB 4.42Å; H266-I269 HydrophobicContact CB-CG1 4.22Å; H266-I269 PolarHBondContact O-N 2.75Å; I269-K271 PolarHBondContact O-N 3.07Å; I269-A272 WeakPolarHBondContact O-CB 3.42Å; I269-A272 PolarHBondContact O-N 3.41Å
270K97.3Very high97.8Very high147 Ų14767.1 Ų67.164%0.63932%0.316SS*.G310 helixtrans-63.2-16.4171.9-80.3169.2170.9155.70115.2R265 H266 F268R265-K270 WeakPolarHBondContact O-CD 3.39Å; R265-K270 WeakPolarHBondContact O-CE 3.38Å; R265-K270 PolarHBondContact O-NZ 3.09Å; H266-K270 WeakPolarHBondContact O-CB 3.46Å; H266-K270 WeakPolarHBondContact O-CG 3.3Å; H266-K270 PolarHBondContact O-N 2.77Å; F268-K270 VanDerWaalsContact C-N 3.25Å; F268-K270 PolarHBondContact O-N 3.13Å
271K94.2Very high97.7Very high118 Ų11867.2 Ų67.251%0.51332%0.317SS..G310 helixtrans-88.1-11176.7-63.1176.6-178.9179.80113.7F268 I269F268-K271 WeakPolarHBondContact O-CB 3.31Å; F268-K271 PolarHBondContact O-N 2.95Å; I269-K271 PolarHBondContact O-N 3.07Å
272A97.6Very high97.7Very high15 Ų1564.1 Ų64.112%0.12430%0.303CS..  trans-58140.4-176.100000113.3S117 R121 I269S117-A272 WeakPolarHBondContact O-CB 3.2Å; R121-A272 HydrophobicContact CB-CB 4.18Å; R121-A272 PolarHBondContact NH1-O 3.32Å; R121-A272 VanDerWaalsContact NH1-O 3.07Å; I269-A272 WeakPolarHBondContact O-CB 3.42Å; I269-A272 PolarHBondContact O-N 3.41Å
273R97.1Very high97.6Very high138 Ų13863.6 Ų63.652%0.52130%0.3SS..  trans-84.2-175.2-178-60-77.5-87-162.7-7.5111V114 T118 R121 F277V114-R273 HydrophobicContact CG2-CG 3.34Å; T118-R273 PolarHBondContact OG1-N 3.01Å; R121-R273 VanDerWaalsContact CZ-O 3.23Å; R121-R273 PolarHBondContact NH1-O 3.31Å; R121-R273 PolarHBondContact NH2-O 2.88Å; R273-F277 HydrophobicContact CB-CB 3.8Å; R273-F277 HydrophobicContact CB-CD1 4.09Å; R273-F277 HydrophobicContact CB-CG 3.95Å; R273-F277 HydrophobicContact CG-CD1 3.95Å; R273-F277 HydrophobicContact CG-CE1 4.39Å; R273-F277 HydrophobicContact CG-CG 4.16Å
274K98Very high97.6Very high176 Ų17666.8 Ų66.877%0.76531%0.312SS*.  trans-68.9151167.6-66.4-174.6178.1-177.10109.7A276 F277K274-A276 PolarHBondContact O-N 3.32Å; K274-F277 VanDerWaalsContact O-CB 3.23Å; K274-F277 WeakPolarHBondContact O-CB 3.11Å; K274-F277 PolarHBondContact O-N 3.43Å
275T98Very high97.5Very high30 Ų3066 Ų6618%0.18431%0.307CS..G310 helixtrans-52.8-39177.739.70000112.9E122 G151 D152 F277 L278E122-T275 HydrophobicContact CG-CG2 3.92Å; G151-T275 VanDerWaalsContact O-CB 3.22Å; G151-T275 WeakPolarHBondContact O-CB 3.18Å; D152-T275 PolarHBondContact OD1-OG1 3.02Å; D152-T275 VanDerWaalsContact OD1-OG1 3.12Å; T275-F277 PolarHBondContact O-N 2.92Å; T275-L278 WeakPolarHBondContact O-CB 3.45Å; T275-L278 WeakPolarHBondContact O-CG 3.33Å; T275-L278 PolarHBondContact O-N 2.99Å
276A97.2Very high97.3Very high51 Ų5165.4 Ų65.442%0.42130%0.304SS..G310 helixtrans-55.2-16.5173.700000115.6S150 K274 L278 Q279S150-A276 WeakPolarHBondContact O-CA 3.23Å; K274-A276 PolarHBondContact O-N 3.32Å; A276-L278 VanDerWaalsContact C-N 3.29Å; A276-Q279 WeakPolarHBondContact O-CB 3.36Å; A276-Q279 WeakPolarHBondContact O-CG 3.35Å; A276-Q279 PolarHBondContact O-N 3.03Å
277F95.4Very high97.2Very high61 Ų6169.4 Ų69.427%0.26832%0.321SS..G310 helixtrans-71.7-23.9172.4-159.4-106.4000112.3V114 H115 R273 K274 T275 Q279 E280V114-F277 HydrophobicContact CG1-CE1 3.98Å; V114-F277 HydrophobicContact CG2-CE1 4.17Å; H115-F277 AromaticContact CD2-CD1 3.72Å; H115-F277 AromaticContact CE1-CE1 3.9Å; H115-F277 AromaticContact NE2-CD1 3.5Å; H115-F277 AromaticContact NE2-CE1 3.43Å; H115-F277 WeakPolarHBondContact NE2-CE1 3.43Å; R273-F277 HydrophobicContact CB-CB 3.8Å; R273-F277 HydrophobicContact CB-CD1 4.09Å; R273-F277 HydrophobicContact CB-CG 3.95Å; R273-F277 HydrophobicContact CG-CD1 3.95Å; R273-F277 HydrophobicContact CG-CE1 4.39Å; R273-F277 HydrophobicContact CG-CG 4.16Å; K274-F277 VanDerWaalsContact O-CB 3.23Å; K274-F277 WeakPolarHBondContact O-CB 3.11Å; K274-F277 PolarHBondContact O-N 3.43Å; T275-F277 PolarHBondContact O-N 2.92Å; F277-Q279 PolarHBondContact O-N 3.18Å; F277-E280 PolarHBondContact O-N 2.68Å
278L98.2Very high97.1Very high0 Ų069.4 Ų69.40%031%0.311CS..G310 helixtrans-70.9-11.5175.8-55.7-172.8000113.4H115 T118 I119 L147 V153 T275 A276 E280 L281 I282H115-L278 HydrophobicContact CB-CD2 3.89Å; T118-L278 HydrophobicContact CG2-CD1 4.17Å; T118-L278 HydrophobicContact CG2-CD2 3.94Å; T118-L278 HydrophobicContact CG2-CG 4.01Å; I119-L278 HydrophobicContact CG1-CD1 3.69Å; I119-L278 HydrophobicContact CG1-CD2 4.16Å; L147-L278 HydrophobicContact CD2-CB 4.25Å; L147-L278 HydrophobicContact CD2-CD1 3.74Å; V153-L278 HydrophobicContact CG2-CD1 3.37Å; T275-L278 WeakPolarHBondContact O-CB 3.45Å; T275-L278 WeakPolarHBondContact O-CG 3.33Å; T275-L278 PolarHBondContact O-N 2.99Å; A276-L278 VanDerWaalsContact C-N 3.29Å; L278-E280 PolarHBondContact O-N 3.13Å; L278-L281 PolarHBondContact O-N 3.48Å; L278-I282 PolarHBondContact O-N 3.36Å
279Q97.9Very high96.9Very high88 Ų8874.8 Ų74.841%0.41133%0.331SS..Hα-helixtrans-59.8-27.3173.7-64177.718.500112S150 A276 F277 L281 I282 E283S150-Q279 PolarHBondContact O-NE2 3.21Å; A276-Q279 WeakPolarHBondContact O-CB 3.36Å; A276-Q279 WeakPolarHBondContact O-CG 3.35Å; A276-Q279 PolarHBondContact O-N 3.03Å; F277-Q279 PolarHBondContact O-N 3.18Å; Q279-L281 VanDerWaalsContact C-N 3.34Å; Q279-L281 PolarHBondContact O-N 3.42Å; Q279-I282 PolarHBondContact O-N 3.49Å; Q279-E283 WeakPolarHBondContact O-CB 3.45Å; Q279-E283 PolarHBondContact O-N 3.4Å
280E96.8Very high96.6Very high119 Ų11979.5 Ų79.556%0.55636%0.356SS*.Hα-helixtrans-60.8-40.8173.1-168.8179.8126.500111.9H115 F277 L278 R284H115-E280 IonicContact CE1-OE1 3.4Å; F277-E280 PolarHBondContact O-N 2.68Å; L278-E280 PolarHBondContact O-N 3.13Å; E280-R284 VanDerWaalsContact O-CB 3.31Å; E280-R284 WeakPolarHBondContact O-CB 3.44Å; E280-R284 PolarHBondContact O-N 3.39Å; E280-R284 VanDerWaalsContact O-N 3.08Å
281L97.2Very high96.4Very high4 Ų478.8 Ų78.82%0.02136%0.355CS..Hα-helixtrans-72.4-39.5175.5-64-178.3000112.5L105 I111 H115 I119 L278 Q279 R284 Y285L105-L281 HydrophobicContact CD1-CB 4.06Å; L105-L281 HydrophobicContact CD1-CD1 4.44Å; I111-L281 HydrophobicContact CD1-CD1 4.28Å; I111-L281 HydrophobicContact CG1-CD1 4.41Å; I111-L281 HydrophobicContact CG2-CD1 3.8Å; I111-L281 HydrophobicContact CG2-CD2 4.41Å; H115-L281 HydrophobicContact CB-CD1 3.69Å; H115-L281 HydrophobicContact CB-CG 4.35Å; I119-L281 HydrophobicContact CD1-CD1 4.44Å; L278-L281 PolarHBondContact O-N 3.48Å; Q279-L281 VanDerWaalsContact C-N 3.34Å; Q279-L281 PolarHBondContact O-N 3.42Å; L281-R284 WeakPolarHBondContact O-CB 3.48Å; L281-R284 PolarHBondContact O-N 2.78Å; L281-Y285 PolarHBondContact O-N 3.17Å
282I97.8Very high96.2Very high16 Ų1674.5 Ų74.58%0.08234%0.344CS..Hα-helixtrans-65.8-42.3-179.5-63.9163.7000110.1L105 L147 S148 L278 Q279 Y285 R286L105-I282 HydrophobicContact CD1-CG1 4.11Å; L105-I282 HydrophobicContact CD2-CG1 4.19Å; L147-I282 HydrophobicContact CB-CD1 4.25Å; L147-I282 HydrophobicContact CD2-CD1 4.39Å; S148-I282 WeakPolarHBondContact O-CD1 3.48Å; L278-I282 PolarHBondContact O-N 3.36Å; Q279-I282 PolarHBondContact O-N 3.49Å; I282-Y285 PolarHBondContact O-N 3.26Å; I282-R286 WeakPolarHBondContact O-CB 3.07Å; I282-R286 PolarHBondContact O-N 3.09Å
283E97.3Very high95.6Very high92 Ų9274.8 Ų74.843%0.4335%0.349SS..Hα-helixtrans-66-40.7174.2-171.959.3-133.300111.6Q279 Y285 R286 K287Q279-E283 WeakPolarHBondContact O-CB 3.45Å; Q279-E283 PolarHBondContact O-N 3.4Å; E283-Y285 VanDerWaalsContact C-N 3.34Å; E283-Y285 PolarHBondContact O-N 3.4Å; E283-R286 PolarHBondContact O-N 3.22Å; E283-R286 IonicContact OE1-CZ 2.73Å; E283-R286 VanDerWaalsContact OE1-CZ 3.29Å; E283-R286 IonicContact OE1-NE 2.9Å; E283-R286 PolarHBondContact OE1-NE 3.38Å; E283-R286 VanDerWaalsContact OE1-NE 3.12Å; E283-R286 IonicContact OE1-NH2 3.74Å; E283-R286 PolarHBondContact OE1-NH2 3.1Å; E283-R286 IonicContact OE2-CZ 3.16Å; E283-R286 VanDerWaalsContact OE2-CZ 3.28Å; E283-R286 IonicContact OE2-NE 3.71Å; E283-R286 PolarHBondContact OE2-NE 3.25Å; E283-R286 IonicContact OE2-NH2 2.74Å; E283-R286 PolarHBondContact OE2-NH2 3.26Å; E283-K287 WeakPolarHBondContact O-CB 3.46Å; E283-K287 PolarHBondContact O-N 2.85Å
284R97.3Very high94.6Very high71 Ų7169.9 Ų69.927%0.26833%0.333SS..Hα-helixtrans-59-43.5173.6-175.6-172.873.2137.7-5.4112L105 P108 G109 E280 L281 W288L105-R284 PolarHBondContact O-NH2 3.17Å; P108-R284 HydrophobicContact CB-CG 3.96Å; P108-R284 HydrophobicContact CG-CG 4.45Å; P108-R284 PolarHBondContact O-NH1 2.97Å; G109-R284 VanDerWaalsContact O-CZ 3.31Å; G109-R284 PolarHBondContact O-NH1 3.31Å; G109-R284 PolarHBondContact O-NH2 3.38Å; E280-R284 VanDerWaalsContact O-CB 3.31Å; E280-R284 WeakPolarHBondContact O-CB 3.44Å; E280-R284 PolarHBondContact O-N 3.39Å; E280-R284 VanDerWaalsContact O-N 3.08Å; L281-R284 WeakPolarHBondContact O-CB 3.48Å; L281-R284 PolarHBondContact O-N 2.78Å; R284-W288 WeakPolarHBondContact O-CB 3.47Å; R284-W288 PolarHBondContact O-N 2.69Å
285Y97.2Very high92.9Very high26 Ų2667.9 Ų67.910%0.10233%0.33CS..Hα-helixtrans-67.4-48.2177.3173-128.5000112.1D104 L105 K107 P108 L281 I282 E283 K287 W288 R289D104-Y285 HydrophobicContact CB-CD1 4.24Å; D104-Y285 HydrophobicContact CB-CE1 3.68Å; D104-Y285 HydrophobicContact CB-CE2 4.16Å; D104-Y285 PolarHBondContact OD1-OH 2.66Å; L105-Y285 HydrophobicContact CD2-CD1 3.89Å; L105-Y285 HydrophobicContact CD2-CG 3.97Å; K107-Y285 HydrophobicContact CD-CE2 3.81Å; K107-Y285 PolarHBondContact NZ-OH 3.3Å; P108-Y285 HydrophobicContact CG-CD2 4.09Å; L281-Y285 PolarHBondContact O-N 3.17Å; I282-Y285 PolarHBondContact O-N 3.26Å; E283-Y285 VanDerWaalsContact C-N 3.34Å; E283-Y285 PolarHBondContact O-N 3.4Å; Y285-K287 VanDerWaalsContact C-N 3.32Å; Y285-K287 PolarHBondContact O-N 2.72Å; Y285-W288 AromaticContact CD2-CE3 3.8Å; Y285-W288 HydrophobicContact CD2-CE3 3.8Å; Y285-W288 HydrophobicContact CD2-CZ3 4.21Å; Y285-W288 AromaticContact CE2-CE3 3.8Å; Y285-W288 HydrophobicContact CE2-CE3 3.8Å; Y285-W288 AromaticContact CE2-CZ3 3.75Å; Y285-W288 HydrophobicContact CE2-CZ3 3.75Å; Y285-W288 PolarHBondContact O-N 3.38Å; Y285-R289 HydrophobicContact CE2-CB 4.45Å; Y285-R289 PolarHBondContact O-N 3.41Å
286R95.5Very high90.7Very high122 Ų12274 Ų7446%0.4636%0.362SS..Hα-helixtrans-53.1-51.5174.2179.9176.872.2156.7-0.1110.8I282 E283 W288 R289 D290I282-R286 WeakPolarHBondContact O-CB 3.07Å; I282-R286 PolarHBondContact O-N 3.09Å; E283-R286 PolarHBondContact O-N 3.22Å; E283-R286 IonicContact OE1-CZ 2.73Å; E283-R286 VanDerWaalsContact OE1-CZ 3.29Å; E283-R286 IonicContact OE1-NE 2.9Å; E283-R286 PolarHBondContact OE1-NE 3.38Å; E283-R286 VanDerWaalsContact OE1-NE 3.12Å; E283-R286 IonicContact OE1-NH2 3.74Å; E283-R286 PolarHBondContact OE1-NH2 3.1Å; E283-R286 IonicContact OE2-CZ 3.16Å; E283-R286 VanDerWaalsContact OE2-CZ 3.28Å; E283-R286 IonicContact OE2-NE 3.71Å; E283-R286 PolarHBondContact OE2-NE 3.25Å; E283-R286 IonicContact OE2-NH2 2.74Å; E283-R286 PolarHBondContact OE2-NH2 3.26Å; R286-W288 PolarHBondContact O-N 2.78Å; R286-R289 PolarHBondContact O-N 3.42Å; R286-D290 VanDerWaalsContact CG-OD2 3.26Å; R286-D290 WeakPolarHBondContact CG-OD2 3.34Å; R286-D290 VanDerWaalsContact O-CB 3.31Å; R286-D290 WeakPolarHBondContact O-CB 3.46Å; R286-D290 PolarHBondContact O-N 3.37Å
287K96.2Very high88.4Confident110 Ų11074.4 Ų74.448%0.47837%0.365SS..Hα-helixtrans-58.5-49.7179.6-172.1-175.6180-99.50112E283 Y285 R289 D290 E291E283-K287 WeakPolarHBondContact O-CB 3.46Å; E283-K287 PolarHBondContact O-N 2.85Å; Y285-K287 VanDerWaalsContact C-N 3.32Å; Y285-K287 PolarHBondContact O-N 2.72Å; K287-R289 VanDerWaalsContact C-N 3.29Å; K287-R289 PolarHBondContact O-N 3.24Å; K287-D290 CarbonylContact O-C 3.57Å; K287-D290 PolarHBondContact O-N 3.1Å; K287-E291 WeakPolarHBondContact CE-OE1 3.46Å; K287-E291 WeakPolarHBondContact CE-OE2 3.49Å; K287-E291 HydrophobicContact CG-CG 4.34Å; K287-E291 IonicContact NZ-OE1 3.63Å; K287-E291 PolarHBondContact NZ-OE1 3.12Å; K287-E291 IonicContact NZ-OE2 2.83Å; K287-E291 PolarHBondContact NZ-OE2 2.91Å; K287-E291 WeakPolarHBondContact O-CB 3.26Å; K287-E291 VanDerWaalsContact O-CG 3.32Å; K287-E291 WeakPolarHBondContact O-CG 3.45Å; K287-E291 PolarHBondContact O-N 3.36Å
288W96.6Very high85.6Confident69 Ų6978 Ų7826%0.26139%0.387SS..Hα-helixtrans-57.7-41.1-179.5168.586.4000112.5K107 P108 R284 Y285 R286 E291 G293 D294K107-W288 HydrophobicContact CB-CE3 4.22Å; K107-W288 HydrophobicContact CB-CH2 3.66Å; K107-W288 HydrophobicContact CB-CZ2 3.94Å; K107-W288 HydrophobicContact CB-CZ3 3.82Å; K107-W288 HydrophobicContact CD-CH2 3.72Å; K107-W288 HydrophobicContact CD-CZ3 3.66Å; K107-W288 HydrophobicContact CG-CH2 4.2Å; K107-W288 HydrophobicContact CG-CZ3 4.39Å; P108-W288 HydrophobicContact CB-CB 3.8Å; P108-W288 HydrophobicContact CB-CD2 4.39Å; P108-W288 HydrophobicContact CB-CG 3.78Å; P108-W288 HydrophobicContact CG-CB 3.82Å; P108-W288 HydrophobicContact CG-CD2 4.09Å; P108-W288 HydrophobicContact CG-CE3 4.38Å; P108-W288 HydrophobicContact CG-CG 3.86Å; R284-W288 WeakPolarHBondContact O-CB 3.47Å; R284-W288 PolarHBondContact O-N 2.69Å; Y285-W288 AromaticContact CD2-CE3 3.8Å; Y285-W288 HydrophobicContact CD2-CE3 3.8Å; Y285-W288 HydrophobicContact CD2-CZ3 4.21Å; Y285-W288 AromaticContact CE2-CE3 3.8Å; Y285-W288 HydrophobicContact CE2-CE3 3.8Å; Y285-W288 AromaticContact CE2-CZ3 3.75Å; Y285-W288 HydrophobicContact CE2-CZ3 3.75Å; Y285-W288 PolarHBondContact O-N 3.38Å; R286-W288 PolarHBondContact O-N 2.78Å; W288-E291 PolarHBondContact O-N 3.1Å; W288-G293 WeakPolarHBondContact CH2-O 3.5Å; W288-G293 VanDerWaalsContact CZ2-C 3.46Å; W288-G293 WeakPolarHBondContact CZ2-O 3.23Å; W288-G293 WeakPolarHBondContact O-CA 3.29Å; W288-G293 PolarHBondContact O-N 3.04Å; W288-D294 WeakPolarHBondContact CH2-OD1 3.22Å; W288-D294 WeakPolarHBondContact CZ3-OD1 3.39Å
289R93.8Very high82.4Confident115 Ų11581.2 Ų81.243%0.43442%0.42SS..Hα-helixtrans-72.3-43.6176.7-174.3-162.866.4175.91.5112.1Y285 R286 K287 E291 G292 D294Y285-R289 HydrophobicContact CE2-CB 4.45Å; Y285-R289 PolarHBondContact O-N 3.41Å; R286-R289 PolarHBondContact O-N 3.42Å; K287-R289 VanDerWaalsContact C-N 3.29Å; K287-R289 PolarHBondContact O-N 3.24Å; R289-E291 PolarHBondContact O-N 3.09Å; R289-G292 PolarHBondContact O-N 3.31Å; R289-D294 WeakPolarHBondContact CD-OD2 3.48Å; R289-D294 HydrophobicContact CG-CB 4.07Å; R289-D294 VanDerWaalsContact CG-OD2 3.27Å; R289-D294 WeakPolarHBondContact CG-OD2 3.49Å
290D92.5Very high79.3Confident101 Ų10185.6 Ų85.654%0.5444%0.441SS..Hα-helixtrans-67.5-13177.1-60.9-3.1000111.8R286 K287R286-D290 VanDerWaalsContact CG-OD2 3.26Å; R286-D290 WeakPolarHBondContact CG-OD2 3.34Å; R286-D290 VanDerWaalsContact O-CB 3.31Å; R286-D290 WeakPolarHBondContact O-CB 3.46Å; R286-D290 PolarHBondContact O-N 3.37Å; K287-D290 CarbonylContact O-C 3.57Å; K287-D290 PolarHBondContact O-N 3.1Å
291E93.7Very high76.2Confident133 Ų13384.6 Ų84.662%0.62145%0.447SS*.THydrogen-bonded Turntrans-91.69.1168.2-72.9-177.9142.200113.8K287 W288 R289K287-E291 WeakPolarHBondContact CE-OE1 3.46Å; K287-E291 WeakPolarHBondContact CE-OE2 3.49Å; K287-E291 HydrophobicContact CG-CG 4.34Å; K287-E291 IonicContact NZ-OE1 3.63Å; K287-E291 PolarHBondContact NZ-OE1 3.12Å; K287-E291 IonicContact NZ-OE2 2.83Å; K287-E291 PolarHBondContact NZ-OE2 2.91Å; K287-E291 WeakPolarHBondContact O-CB 3.26Å; K287-E291 VanDerWaalsContact O-CG 3.32Å; K287-E291 WeakPolarHBondContact O-CG 3.45Å; K287-E291 PolarHBondContact O-N 3.36Å; W288-E291 PolarHBondContact O-N 3.1Å; R289-E291 PolarHBondContact O-N 3.09Å
292G90Very high73Confident27 Ų2792.2 Ų92.228%0.27849%0.488SS..THydrogen-bonded Turntrans97.58.2175.900000115.4R289 D294 D295R289-G292 PolarHBondContact O-N 3.31Å; G292-D294 VanDerWaalsContact C-N 3.31Å; G292-D294 PolarHBondContact O-N 2.79Å; G292-D295 WeakPolarHBondContact CA-OD2 3.24Å; G292-D295 WeakPolarHBondContact O-CB 3.16Å; G292-D295 PolarHBondContact O-N 3.38Å; G292-D295 VanDerWaalsContact O-N 3.1Å
293G83.7Confident70.1Confident21 Ų2197.8 Ų97.822%0.21652%0.518CS..THydrogen-bonded Turntrans-62.8-25.9-170.600000116.7W288W288-G293 WeakPolarHBondContact CH2-O 3.5Å; W288-G293 VanDerWaalsContact CZ2-C 3.46Å; W288-G293 WeakPolarHBondContact CZ2-O 3.23Å; W288-G293 WeakPolarHBondContact O-CA 3.29Å; W288-G293 PolarHBondContact O-N 3.04Å
294D75.7Confident66.8Low36 Ų36101.5 Ų101.519%0.19354%0.541CS..THydrogen-bonded Turntrans-90.3-4.3177.1-83.3-31.3000113.2K107 W288 R289 G292 D296 A297K107-D294 IonicContact NZ-OD1 3.24Å; K107-D294 PolarHBondContact NZ-OD1 2.86Å; K107-D294 IonicContact NZ-OD2 2.72Å; K107-D294 PolarHBondContact NZ-OD2 2.94Å; W288-D294 WeakPolarHBondContact CH2-OD1 3.22Å; W288-D294 WeakPolarHBondContact CZ3-OD1 3.39Å; R289-D294 WeakPolarHBondContact CD-OD2 3.48Å; R289-D294 HydrophobicContact CG-CB 4.07Å; R289-D294 VanDerWaalsContact CG-OD2 3.27Å; R289-D294 WeakPolarHBondContact CG-OD2 3.49Å; G292-D294 VanDerWaalsContact C-N 3.31Å; G292-D294 PolarHBondContact O-N 2.79Å; D294-D296 PolarHBondContact O-N 3.24Å; D294-D296 VanDerWaalsContact O-N 3.12Å; D294-A297 WeakPolarHBondContact O-CB 3.46Å; D294-A297 PolarHBondContact O-N 3.09Å
295D62.5Low63.6Low133 Ų133101 Ų10171%0.71156%0.557SS**THydrogen-bonded Turntrans-65.4-18.1-174.5-67.1-21.4000113.3G292 A297G292-D295 WeakPolarHBondContact CA-OD2 3.24Å; G292-D295 WeakPolarHBondContact O-CB 3.16Å; G292-D295 PolarHBondContact O-N 3.38Å; G292-D295 VanDerWaalsContact O-N 3.1Å; D295-A297 VanDerWaalsContact C-N 3.27Å; D295-A297 PolarHBondContact O-N 3.42Å
296D51.6Low60.3Low160 Ų160107.1 Ų107.186%0.85659%0.591SS**THydrogen-bonded Turntrans-74.8-8.4172.9-75.4-38.8000113.7D294D294-D296 PolarHBondContact O-N 3.24Å; D294-D296 VanDerWaalsContact O-N 3.12Å
297A48.5Very low57.2Low58 Ų58107.1 Ų107.148%0.47960%0.604SS.*THydrogen-bonded Turntrans-99.1-34.4-170.900000115.3D294 D295 G299D294-A297 WeakPolarHBondContact O-CB 3.46Å; D294-A297 PolarHBondContact O-N 3.09Å; D295-A297 VanDerWaalsContact C-N 3.27Å; D295-A297 PolarHBondContact O-N 3.42Å; A297-G299 PolarHBondContact O-N 3.02Å
298D36.9Very low54.1Low137 Ų137107.3 Ų107.373%0.73362%0.617SS**  trans-98.926.5-168.1-74.7-14.5000113.4E300D298-E300 VanDerWaalsContact C-N 3.34Å; D298-E300 PolarHBondContact O-N 3.48Å
299G32.3Very low50.9Low67 Ų67110.8 Ų110.869%0.69164%0.641SS**  trans-71.978.2176.300000113.4A297 S301A297-G299 PolarHBondContact O-N 3.02Å; G299-S301 PolarHBondContact O-N 3.42Å
300E31.3Very low48Very low180 Ų180114.8 Ų114.884%0.84166%0.664SS**  trans-66.780.7166.5-74.5-173.7153.100110.6D298 D302D298-E300 VanDerWaalsContact C-N 3.34Å; D298-E300 PolarHBondContact O-N 3.48Å; E300-D302 PolarHBondContact O-N 2.87Å
301S31.6Very low45.1Very low99 Ų99118.1 Ų118.169%0.69268%0.677SS**  trans-78103.6160.559.40000109.1G299 D303G299-S301 PolarHBondContact O-N 3.42Å; S301-D303 PolarHBondContact O-N 3.28Å
302D31Very low42.1Very low163 Ų163119.1 Ų119.187%0.87269%0.686SS**  trans-64.270.3158.7-76.5-39.2000109.3E300 D304E300-D302 PolarHBondContact O-N 2.87Å; D302-D304 PolarHBondContact O-N 2.94Å
303D35.7Very low39.3Very low133 Ų133126 Ų12671%0.71172%0.716SS**  trans-79.288.3176.2-169.346.8000109.1S301 G305S301-D303 PolarHBondContact O-N 3.28Å; D303-G305 PolarHBondContact O-N 3.37Å
304D29.5Very low36.7Very low171 Ų171130.9 Ų130.991%0.91474%0.741SS**  trans-7357.7-175-134.4-11.7000111.9D302D302-D304 PolarHBondContact O-N 2.94Å
305G29.2Very low34.4Very low60 Ų60136.7 Ų136.762%0.61977%0.772SS**  trans102111.7158.100000117.4D303D303-G305 PolarHBondContact O-N 3.37Å
306L28.4Very low32.8Very low155 Ų155134.6 Ų134.681%0.81277%0.773SS**  trans-136.6113.2133.5-100.9167.8000109.5P308L306-P308 WeakPolarHBondContact O-CD 3.29Å
307V31Very low32.1Very low121 Ų121136.1 Ų136.173%0.73378%0.775SS**PPolyproline II helixtrans-71.2126.4166.1-179.50000106.8D309V307-D309 PolarHBondContact O-N 2.93Å
308P30.3Very low31.3Very low115 Ų115138.5 Ų138.575%0.74779%0.788SS**PPolyproline II helixtrans-65.7118.8171.8-18.231.9000109.3L306L306-P308 WeakPolarHBondContact O-CD 3.29Å
309D29.1Very low31.1Very low142 Ų142139.2 Ų139.276%0.75979%0.792SS**PPolyproline II helixtrans-61.2137.2175.7-68.2-60.2000110.5V307 E311V307-D309 PolarHBondContact O-N 2.93Å; D309-E311 PolarHBondContact O-N 3.17Å
310E33Very low31.2Very low198 Ų198141.4 Ų141.493%0.92580%0.796SS**SBendtrans-76.937.9-177.4-64.4-162.9129.500113.7
311E31.7Very low31.3Very low172 Ų172139.1 Ų139.180%0.80480%0.797SS**  trans-115.726.5-173.8-66.9-155.8162.300115.5D309D309-E311 PolarHBondContact O-N 3.17Å
312D30.6Very low31.4Very low154 Ų154138.1 Ų138.182%0.82480%0.803SS**SBendtrans-126.714.5178.5-122.7-19.7000115.9
313L30.7Very low31.4Very low172 Ų172134.3 Ų134.390%0.90180%0.801SS**SBendtrans-11914.9175.6-78.6177.3000115.3
314V30.1Very low31.3Very low123 Ų123132.4 Ų132.475%0.74581%0.805SS**  trans-137.553.7177.5-72.40000113.8
315N27.6Very low31.6Very low158 Ų158130.5 Ų130.585%0.84579%0.794SS**  trans-136.363.9173.7-119.7-38000114.9
316A29.4Very low31.9Very low89 Ų89135.8 Ų135.874%0.73680%0.8SS**  trans-134.346173.800000113.5
317H36.2Very low32.2Very low192 Ų192134.7 Ų134.789%0.88980%0.802SS**  trans-165.2108.8151.5-94.2-51.4000112.2
318S31Very low32.2Very low107 Ų107132.8 Ų132.875%0.74881%0.808SS**  trans-90.8122.1176.156.80000112.5
319N34.3Very low32.1Very low153 Ų153134.8 Ų134.882%0.81881%0.807SS**  trans-173106.9136.8-103.1-23.2000115.8
320S34.1Very low32.1Very low113 Ų113136 Ų13679%0.7981%0.805SS**  trans69.1154.9142-64.40000121.4
321P33.8Very low31.8Very low131 Ų131135.7 Ų135.785%0.85180%0.801SS**  trans-130.1175.6-147.741.9-25.9000116.5
322G32Very low31.7Very low79 Ų79137.3 Ų137.381%0.81481%0.805SS**  trans-174.482.1170.100000119.1
323G32.7Very low31.4Very low82 Ų82138.4 Ų138.485%0.84581%0.805SS**  trans66.6177.1155.300000119.3
324A33Very low31.3Very low94 Ų94139.7 Ų139.778%0.77780%0.804SS**  cis-170.5147.4-28.800000110.7
325D35.3Very low31Very low130 Ų130140 Ų14070%0.69580%0.802SS**  trans62.7149.6165.9-74.3-0.2000119.8
326K36.3Very low30.8Very low171 Ų171135.6 Ų135.674%0.74379%0.793SS**  cis-161.8161.2-19.9-112.8174.4-174.285.60109.2
327P34.2Very low30.5Very low132 Ų132140.1 Ų140.186%0.85780%0.801SS**  trans-101.1164.6-168.538.4-35.9000116.6
328G31.3Very low30Very low82 Ų82143 Ų14385%0.84580%0.804SS**  trans-158.2131.7174.800000115.9
329Q28.4Very low29.9Very low157 Ų157143.2 Ų143.273%0.73480%0.803SS**  trans-93.8149.4-172.5-46.8163.9-23.400114.3
330K28.1Very low29.4Very low166 Ų166139.3 Ų139.372%0.72280%0.799SS**  157.7129.4107.5-97.8139.7174.9141.50117.3
331K26.1Very low28.9Very low192 Ų192144.6 Ų144.684%0.83581%0.808SS**  trans39.8128.7138.3-62.6-173.2174.3-169.60121.9
332K30.5Very low28.5Very low207 Ų207142.4 Ų142.490%0.980%0.801SS**  -169.4166.9107.3-105174-177.5-177.50113.7
333H24.1Very low28.2Very low176 Ų176143.1 Ų143.182%0.81579%0.793SS**  trans-77.5155.6-178.5-76.6-126.5000113.8
334F27.8Very low27.8Very low200 Ų200146.9 Ų146.988%0.87779%0.794SS**  -151.1159.6124.1-157-105.8000111
335D24.3Very low27.5Very low130 Ų130148 Ų14870%0.69579%0.791SS**  trans-94.7156.8-179.5-65.2-71.7000112.8
336G23.5Very low27Very low65 Ų65149.2 Ų149.267%0.6779%0.791SS**  trans142.9138.2156.800000117
337M24.5Very low26.4Very low184 Ų184150.1 Ų150.191%0.90680%0.795SS**  trans51.4110.8164.6-87.863.284.900119.2
338R25.3Very low26Very low251 Ų251153.3 Ų153.395%0.94779%0.79SS**  trans-126.895.1155.1-166.6-177.8-167.1-154.73.6110.4
339P27.6Very low25.8Very low113 Ų113154.6 Ų154.673%0.73478%0.778SS**  trans-85.6155173.734.9-33.4000111.7
340G25.2Very low25.6Very low71 Ų71152.9 Ų152.973%0.73277%0.768SS**  trans71.8110.916000000117.5
341K23.3Very low25.5Very low223 Ų223151.1 Ų151.197%0.9776%0.762SS**  trans-69.4127.1143.1-75.7-169172.2-1640106.7
342A25.1Very low25.6Very low86 Ų86147.6 Ų147.671%0.71176%0.757SS**  trans-12599.1-176.100000110.9
343S26.4Very low25.4Very low93 Ų93142.9 Ų142.965%0.6575%0.745SS**  trans3699.7157.361.60000118.2T345S343-T345 PolarHBondContact O-N 3.45Å; S343-T345 VanDerWaalsContact O-N 3.09Å
344D23.6Very low25.4Very low161 Ų161145 Ų14586%0.86175%0.746SS**  trans-66.2104.4161.7-59-70.7000110.1F346D344-F346 PolarHBondContact O-N 2.78Å
345T26.5Very low25.3Very low117 Ų117139.5 Ų139.572%0.71874%0.738SS**  trans-68.8101.9177.524.10000110.9S343 K347S343-T345 PolarHBondContact O-N 3.45Å; S343-T345 VanDerWaalsContact O-N 3.09Å; T345-K347 PolarHBondContact O-N 3.09Å
346F24.2Very low25.3Very low156 Ų156142 Ų14268%0.68475%0.747SS**PPolyproline II helixtrans-53123.9-178.6-124.4-81.1000112.5R27 D344R27-F346 VanDerWaalsContact NH1-CD1 3.26Å; D344-F346 PolarHBondContact O-N 2.78Å
347K24Very low25.5Very low191 Ų191144.6 Ų144.683%0.8375%0.752SS**PPolyproline II helixtrans-85.4124.9177.9-153.6178.6-174.3-1750108.6T345 N349T345-K347 PolarHBondContact O-N 3.09Å; K347-N349 PolarHBondContact O-N 3.35Å
348W26.3Very low25.6Very low198 Ų198141.5 Ų141.575%0.7575%0.749SS**PPolyproline II helixtrans-71.1124.5169.6-78.386.2000108.9
349N26.7Very low25.8Very low110 Ų110138.9 Ų138.959%0.58875%0.747SS**PPolyproline II helixtrans-98.2143.6178.5-163.1-8.6000110.9K347 E351K347-N349 PolarHBondContact O-N 3.35Å; N349-E351 WeakPolarHBondContact OD1-CB 3.25Å; N349-E351 PolarHBondContact OD1-N 3.11Å; N349-E351 PolarHBondContact OD1-OE2 3.35Å; N349-E351 VanDerWaalsContact OD1-OE2 3.13Å
350F25.2Very low25.8Very low121 Ų121138.6 Ų138.653%0.53175%0.748SS.*  trans-126.36176.1-173.1-110.6000112.7A215 T352A215-F350 HydrophobicContact CB-CE1 4.32Å; A215-F350 HydrophobicContact CB-CZ 3.91Å; A215-F350 WeakPolarHBondContact O-CE1 3.39Å; F350-T352 PolarHBondContact O-N 2.61Å; F350-T352 VanDerWaalsContact O-N 3.11Å
351E24.5Very low26Very low128 Ų128139.8 Ų139.860%0.59875%0.751SS**THydrogen-bonded Turntrans-66.5-9.2-179.4-98.275.4-110.400115N349 V353 R354N349-E351 WeakPolarHBondContact OD1-CB 3.25Å; N349-E351 PolarHBondContact OD1-N 3.11Å; N349-E351 PolarHBondContact OD1-OE2 3.35Å; N349-E351 VanDerWaalsContact OD1-OE2 3.13Å; E351-V353 PolarHBondContact O-N 2.99Å; E351-R354 PolarHBondContact O-N 3.2Å
352T29.3Very low26.2Very low119 Ų119138.1 Ų138.173%0.7375%0.747SS**THydrogen-bonded Turntrans-65.20.8-175.2-36.20000115F350F350-T352 PolarHBondContact O-N 2.61Å; F350-T352 VanDerWaalsContact O-N 3.11Å
353V25.4Very low26.4Very low107 Ų107140.6 Ų140.665%0.64875%0.753SS**SBendtrans-12463171-166.60000110.8E351E351-V353 PolarHBondContact O-N 2.99Å
354R24.9Very low26.7Very low221 Ų221141.7 Ų141.783%0.83476%0.76SS**  trans-138.234.5175.1-141177.5-164.7172.16.6116.7E351E351-R354 PolarHBondContact O-N 3.2Å
355A25.6Very low26.9Very low85 Ų85142.7 Ų142.770%0.70276%0.759SS**  trans-125.582.8177.500000113.5
356M24.4Very low27.1Very low183 Ų183144.1 Ų144.190%0.90176%0.762SS**  trans-153.298.2156-98.8-60.3153.100110
357P27.7Very low27.3Very low118 Ų118142.3 Ų142.377%0.76676%0.764SS**  trans-80.2150.8174.932.2-33.5000112.4Q359P357-Q359 PolarHBondContact O-N 3.22Å
358S26.4Very low27.7Very low119 Ų119139.1 Ų139.183%0.83277%0.766SS**  trans-24120173.3-50.40000117.2S360S358-S360 PolarHBondContact O-N 3.46Å
359Q29.4Very low27.8Very low197 Ų197135.1 Ų135.192%0.92177%0.768SS**  trans-71.3122.1152.5-77.3-164.88.900109.6P357 A361P357-Q359 PolarHBondContact O-N 3.22Å; Q359-A361 PolarHBondContact O-N 3.26Å
360S27.6Very low27.9Very low106 Ų106133.9 Ų133.974%0.74177%0.773SS**  trans-80.2104179.840.80000111.6S358 Q362S358-S360 PolarHBondContact O-N 3.46Å; S360-Q362 PolarHBondContact O-N 2.89Å
361A29Very low28.1Very low97 Ų97138.5 Ų138.580%0.80279%0.789SS**  trans-69.795.7162.100000109.3Q359 V363Q359-A361 PolarHBondContact O-N 3.26Å; A361-V363 PolarHBondContact O-N 3.1Å; A361-V363 VanDerWaalsContact O-N 3.11Å
362Q27.8Very low28.4Very low188 Ų188137.2 Ų137.288%0.87979%0.794SS**  trans-66.8107.2170-74.8-172.5-30.200110S360S360-Q362 PolarHBondContact O-N 2.89Å
363V30.3Very low28.5Very low138 Ų138137 Ų13784%0.83680%0.797SS**  trans-121.2134.5159.9-178.90000107.5A361A361-V363 PolarHBondContact O-N 3.1Å; A361-V363 VanDerWaalsContact O-N 3.11Å
364S31.3Very low29.2Very low115 Ų115137.7 Ų137.780%0.80480%0.804SS**  trans-68.8148.3-159-48.80000114.6N366S364-N366 PolarHBondContact O-N 3.37Å
365H28Very low29.4Very low183 Ų183134.2 Ų134.285%0.84780%0.802SS**  trans-59134.6157.1-73.9-87.6000110.4
366N30.9Very low29.8Very low147 Ų147136.9 Ų136.979%0.78681%0.809SS**  -158.6131.8119.3-109.5-13.7000112.6S364S364-N366 PolarHBondContact O-N 3.37Å
367T29.7Very low30.3Very low118 Ų118132.9 Ų132.972%0.72480%0.799SS**  trans14.2126.8145.459.90000117.4
368S31.4Very low30.4Very low124 Ų124132.2 Ų132.287%0.86780%0.797SS**  -178.6-18056.550.20000111.5
369S27.8Very low30.8Very low114 Ų114131.1 Ų131.180%0.79780%0.795SS**  trans-131.8164.6176.956.50000113.5
370A28.7Very low31.2Very low83 Ų83129.1 Ų129.169%0.68679%0.786SS**  trans89.1153.2166.400000120.5
371Y30.7Very low31.6Very low219 Ų219131.6 Ų131.686%0.85979%0.785SS**  trans81.685.6168.1-60.5-74.3000121.2
372S31.2Very low31.8Very low101 Ų101131.4 Ų131.471%0.70678%0.778SS**  42.5119.7118.2-490000122.6
373S30.3Very low32Very low114 Ų114127.5 Ų127.580%0.79777%0.771SS**  42.7148.7113.3-55.20000121.4
374P40.5Very low32.2Very low121 Ų121125.6 Ų125.679%0.78676%0.764SS**  cis-148.8-166.442.143.6-21.9000118.5
375D28.2Very low32.2Very low149 Ų149125.2 Ų125.280%0.79776%0.761SS**  trans-65.6159.6-169.5-51.7-98.9000119.3
376V34.7Very low32.4Very low140 Ų140122.4 Ų122.485%0.84876%0.763SS**  trans-141.4108.8141179.60000112.3
377S33.7Very low32.7Very low100 Ų100121.6 Ų121.670%0.69977%0.765SS**  trans46.296.2141-54.10000124
378S30.1Very low32.9Very low104 Ų104121.9 Ų121.973%0.72777%0.772SS**  42118.4113.6650000123.7
379A36Very low33.1Very low95 Ų95121.2 Ų121.279%0.78577%0.767SS**  trans-160.6100.5136.400000109.8
380H36.5Very low33.3Very low156 Ų156120 Ų12072%0.72276%0.759SS**  76.8113.288.9-81.8-66.6000117.6
381H36Very low33.5Very low157 Ų157122.7 Ų122.773%0.72776%0.762SS**  trans68.988.7147.2-63-58.6000123.6
382S33.5Very low33.7Very low93 Ų93118.9 Ų118.965%0.6576%0.761SS**  51124110.661.50000123.3
383S33.1Very low33.9Very low106 Ų106122.8 Ų122.874%0.74177%0.768SS**  trans84.3130.413258.20000123.7
384S33.6Very low34.5Very low98 Ų98122.8 Ų122.869%0.68577%0.766SS**  trans65.789.4144.456.30000121.7
385S31.4Very low34.1Very low107 Ų107123.3 Ų123.375%0.74877%0.766SS**  42.3122.8116.962.90000121.9
386S33.2Very low34.5Very low125 Ų125122.6 Ų122.687%0.87476%0.761SS**  trans-157.8121.1147.2-79.50000110.8
387P35.4Very low34.3Very low130 Ų130124.5 Ų124.584%0.84476%0.758SS**  trans-120.5118.2173.935.2-22000114
388S34.9Very low34.2Very low124 Ų124131 Ų13187%0.86777%0.767SS**  trans-158.6156.4157.759.80000108.4
389S35.4Very low34.3Very low110 Ų110131.7 Ų131.777%0.76977%0.767SS**  cis-134.9175.51063.50000112.9
390S32.9Very low34.1Very low89 Ų89133.1 Ų133.162%0.62277%0.771SS**  trans-68.8177.2159.859.30000110.5
391D32Very low33.9Very low139 Ų139129.8 Ų129.874%0.74378%0.779SS**  cis-165-170.436.2-132.4-56.2000114.5
392V35.1Very low33.7Very low139 Ų139125.9 Ų125.984%0.84278%0.781SS**  trans96142.7167-169.70000117.5
393Q36.5Very low34.1Very low182 Ų182127.9 Ų127.985%0.8579%0.792SS**  trans-111.8169.5-161.8-85.3-172.412.600114.9
394P41.7Very low34.3Very low115 Ų115127.9 Ų127.975%0.74780%0.798SS**  trans-98.2169.4-167.139.1-37.3000115.1
395V32.8Very low34.2Very low131 Ų131130.7 Ų130.779%0.79480%0.804SS**  trans-167.7117.6153.8126.40000115.8
396I35.3Very low34.1Very low135 Ų135132.9 Ų132.969%0.69280%0.803SS**  trans72.1117.6134.9-65.8176.7000125.1
397K31.5Very low33.9Very low179 Ų179132.2 Ų132.278%0.77880%0.798SS**  trans54.8128.7138.8-65.4175.8-171.71740124.5
398R31.2Very low33.7Very low238 Ų238132.4 Ų132.490%0.89879%0.788SS**  -169.6127.3111.5-95.7168.8-166.1-153.14.1107.1
399T31.8Very low33.4Very low118 Ų118135.4 Ų135.472%0.72478%0.78SS**  51.6125.859.266.70000113.2
400S32.2Very low33.2Very low125 Ų125141.3 Ų141.387%0.87479%0.785SS**  cis-169.2161.721.947.80000113.9
401G33.1Very low33.1Very low85 Ų85143.3 Ų143.388%0.87679%0.788SS**  trans121.3141.2161.400000114.2
402G30.9Very low33.3Very low75 Ų75141.7 Ų141.777%0.77379%0.788SS**  cis-174.5156.5-7.400000111.3
403P42.7Very low33.2Very low136 Ų136142.4 Ų142.488%0.88379%0.787SS**  trans-102.6156.6-172.838.3-34.2000115.1
404A36.4Very low33.1Very low105 Ų105137.1 Ų137.187%0.86878%0.781SS**  trans-155.4168.9166.400000111.3
405L31.5Very low32.7Very low157 Ų157142.5 Ų142.582%0.82279%0.788SS**  trans-126.5173.3-170.1-80.4165.6000113.5
406E28.7Very low32.7Very low154 Ų154143.8 Ų143.872%0.7279%0.786SS**  trans77.6117.3149.1-12279.5-116.500121.3
407S30.8Very low32.5Very low110 Ų110141.9 Ų141.977%0.76978%0.784SS**  trans66.4155.9138.876.80000120.3
408E30Very low32.4Very low135 Ų135144.9 Ų144.963%0.63179%0.791SS**  cis-165.7159.9-20.3-119.9-146.9101.700110.6
409R29.6Very low32.4Very low186 Ų186137.7 Ų137.770%0.70278%0.782SS**  trans65.8150.7162.5-60.8161.6-156.2-158.311.6116.5L411R409-L411 HydrophobicContact CB-CD1 4.47Å; R409-L411 HydrophobicContact CG-CD1 4.14Å
410R30.4Very low32.4Very low234 Ų234137.4 Ų137.488%0.88379%0.785SS**  cis-131151.426.4-68.6175.5178.3-167.8-2.6111.1
411L31.6Very low32.4Very low131 Ų131139 Ų13969%0.68678%0.784SS**  cis91.5106.236.4-81.4170.6000116R409R409-L411 HydrophobicContact CB-CD1 4.47Å; R409-L411 HydrophobicContact CG-CD1 4.14Å
412S35.2Very low32.8Very low105 Ų105140.2 Ų140.273%0.73478%0.776SS**  trans-170.2104.9141.356.60000107.8
413D34Very low32.8Very low155 Ų155142.7 Ų142.783%0.82978%0.776SS**  71.5129.884.5-58.9-35.8000113.2
414G33.1Very low32.3Very low70 Ų70144.5 Ų144.572%0.72278%0.776SS**  cis-138.8-164.6-4.900000110.8
415Y34.4Very low32.2Very low228 Ų228143.3 Ų143.389%0.89477%0.774SS**  cis-145.6177.423-121.7-98.1000112.4
416E32.8Very low32Very low158 Ų158139.3 Ų139.374%0.73877%0.771SS**  trans-68.3151.6-173.2-67.4174.9100.300115.2
417S30.7Very low32.7Very low95 Ų95137.4 Ų137.466%0.66477%0.772SS**  60.5137.371.1131.70000113.1
418R30.5Very low32.8Very low243 Ų243138.7 Ų138.792%0.91777%0.77SS**  cis-157.7173.131.4-151.7165.7175.6162.5-4111.4
419A29.2Very low33.1Very low86 Ų86140.2 Ų140.271%0.71178%0.776SS**  trans-94.6152.9179.100000114.9
420S32.2Very low33.4Very low113 Ų113136.5 Ų136.579%0.7978%0.779SS**  trans166.9151.8132.6-74.40000115.9
421N32.7Very low33.4Very low159 Ų159129 Ų12985%0.8577%0.774SS**  trans79.9157.6150.5-76.54.4000123
422P41.1Very low33.5Very low109 Ų109133 Ų13371%0.70879%0.787SS**  trans-137.8-176.5-150.946.4-28.2000117.1
423V31.2Very low33.4Very low128 Ų128136.8 Ų136.878%0.77679%0.793SS**  trans50.5113.3162.8-160.20000119.5
424I32.4Very low33.5Very low173 Ų173135.2 Ų135.289%0.88779%0.791SS**  174.2135.9124.4-92.3166.2000107.9
425G34.9Very low33.9Very low80 Ų80137.7 Ų137.783%0.82580%0.798SS**  trans159.493.7173.400000116.6
426G27.6Very low33.7Very low74 Ų74135.4 Ų135.476%0.76380%0.795SS**  trans-143.6-169.3156.900000108.1
427P42.5Very low33.8Very low113 Ų113136.4 Ų136.473%0.73480%0.804SS**  cis-137.9-161.69.135.8-12.9000113.9
428L33.5Very low33.7Very low137 Ų137135.6 Ų135.672%0.71781%0.81SS**  trans72.1136.6169.9-49.7154.9000113.9
429H36Very low33.7Very low167 Ų167132.1 Ų132.177%0.77381%0.808SS**  cis-160.4170-3.9-111.7-27.8000106.5
430S35.7Very low33.8Very low109 Ų109133.9 Ų133.976%0.76281%0.814SS**  cis-168.7155.1-5.8430000107.4
431G30.5Very low33.8Very low76 Ų76135 Ų13578%0.78482%0.817SS**  cis15088-2.400000112.4
432F33.7Very low33.7Very low215 Ų215132 Ų13294%0.94381%0.813SS**  trans-111.7135.5172.9-104.5-80.8000110.3
433Q33.6Very low33.3Very low184 Ų184134.6 Ų134.686%0.8682%0.821SS**  trans-136.8152.2173.2-93.5-169.6-2400110.8
434P36.1Very low33.3Very low123 Ų123136.6 Ų136.680%0.79982%0.823SS**PPolyproline II helixtrans-78.2145.817333.2-34.2000111.6
435S40.8Very low33.4Very low122 Ų122136 Ų13685%0.85382%0.821SS**PPolyproline II helixtrans-82.1129.5178.344.90000112.8
436Q30.5Very low33.2Very low180 Ų180138.3 Ų138.384%0.84182%0.824SS**PPolyproline II helixtrans-80156.1156.7-67.2-177.3-20.200110.4
437I33.9Very low33.5Very low179 Ų179146.4 Ų146.492%0.91883%0.832SS**  -179133124.6-91.4152.7000107.3
438G30Very low32.8Very low77 Ų77145.3 Ų145.379%0.79483%0.832SS**  trans169.545.4-173.900000113.7
439L29.6Very low32.7Very low170 Ų170147 Ų14789%0.8984%0.837SS**  trans-97.5112.9-179.8-118.1166.1000109.9
440C30.8Very low32.4Very low124 Ų124146.8 Ų146.884%0.83884%0.838SS**  trans-118.6147.9166.1-700000109
441T32.4Very low32.3Very low137 Ų137146.8 Ų146.884%0.8484%0.838SS**  trans-85157.1-162.445.60000114.2
442A30.8Very low32.3Very low94 Ų94154.5 Ų154.578%0.77784%0.844SS**  trans-76.4155.2165.500000111.2
443D32.5Very low32.2Very low164 Ų164150.2 Ų150.288%0.87784%0.84SS**  trans-129.3122.5162-116.3-36.7000108.1
444E31.6Very low32Very low171 Ų171145.9 Ų145.980%0.79984%0.836SS**  trans-94.8119.4173-75.9-168.2103.800109.7
445N33.8Very low31.8Very low160 Ų160148.6 Ų148.686%0.85684%0.84SS**  trans-159.992156.2-121.3-36.9000115.6
446S32Very low31.5Very low128 Ų128150.3 Ų150.390%0.89584%0.84SS**  trans176.4120.9137.1-82.30000110
447R33.6Very low31.7Very low244 Ų244145.5 Ų145.592%0.92183%0.826SS**  trans-118.1147.1-174.6-151.6170.7-173.9142.8-1.5110.8
448A28.1Very low31.7Very low90 Ų90144.6 Ų144.674%0.74482%0.823SS**  trans-58157.7-170.100000116.2
449Q31.4Very low32Very low172 Ų172148.8 Ų148.880%0.80482%0.822SS**  -168.7139.3122.3-104.9175.517.500116.3
450M28.2Very low32.3Very low164 Ų164147.4 Ų147.481%0.80882%0.815SS**  trans38.4115.8142.7-62.9-179.3-178.500123.4
451S33.4Very low32.5Very low109 Ų109147.4 Ų147.476%0.76281%0.812SS**  -168.8130.6117.1-81.70000109.4
452R31.3Very low32.7Very low238 Ų238146 Ų14690%0.89881%0.814SS**  48.6121.585.4-68.5-175.8173.3-177.1-1.9111.7
453S32.5Very low32.8Very low124 Ų124144.8 Ų144.887%0.86781%0.81SS**  cis-155173.440.1-64.30000113.7
454A28.8Very low33.1Very low93 Ų93143.1 Ų143.177%0.76981%0.808SS**  trans-135169.6169.500000111.1
455M32.5Very low33.3Very low181 Ų181143.1 Ų143.189%0.89281%0.814SS**  trans69.9101.5171.2-62.2-177.7165.600118.8
456N34Very low33.2Very low158 Ų158140 Ų14085%0.84581%0.811SS**  -178.8156.3122.9-101.1-1.5000109.6
457S34.1Very low33.4Very low78 Ų78140 Ų14055%0.54581%0.81SS.*  cis177.8115-30.949.10000107.9
458N35.1Very low33.5Very low160 Ų160134.3 Ų134.386%0.85681%0.808SS**  trans-179.9102.4163.2-91.6-22.1000105.5
459Q35.1Very low33.7Very low166 Ų166133.6 Ų133.678%0.77681%0.81SS**  70137.561.8-63.8-156.39.800115
460N35.4Very low34.2Very low140 Ų140131.3 Ų131.375%0.74981%0.81SS**  trans72.1134.5178.6-56.5-21.2000116.6
461T35.5Very low34.4Very low125 Ų125130 Ų13077%0.76781%0.811SS**  cis-163.1147.9-12.212.70000110.1
462A37.3Very low34.3Very low107 Ų107131.4 Ų131.488%0.88481%0.81SS**  trans62.3152.1168.800000117.3
463G32.1Very low34.1Very low68 Ų68126.9 Ų126.970%0.70180%0.802SS**  cis153.5105.1-5.800000111.3
464P40Very low34.2Very low129 Ų129126.1 Ų126.184%0.83879%0.794SS**  trans-82.5159.2-178.234.7-35.5000112
465N35.8Very low34Very low172 Ų172129 Ų12992%0.9280%0.795SS**  trans-151.2151167.7-125-19.7000112
466A31.1Very low34Very low95 Ų95128 Ų12879%0.78579%0.792SS**  trans-103.6158.6173.900000110.6
467S37.1Very low33.6Very low126 Ų126132.1 Ų132.188%0.88180%0.796SS**  trans-146.4134.9171.359.40000113
468S34.7Very low33.5Very low125 Ų125133.5 Ų133.587%0.87480%0.802SS**  trans-112.6144.4172.254.40000109.8
469G31.4Very low33.3Very low76 Ų76134.1 Ų134.178%0.78480%0.8SS**  trans152.5121.916700000115.7
470P42.1Very low32.9Very low124 Ų124133 Ų13381%0.80580%0.799SS**  trans-118.9150.8176.938.9-29000114.8
471T33.7Very low32.7Very low136 Ų136133 Ų13383%0.83480%0.804SS**  trans-153.2108.8164.542.80000114.5
472N31.3Very low32.5Very low138 Ų138134.3 Ų134.374%0.73880%0.802SS**  40.4116.5126.7-72.3-6.7000121.2
473I27.3Very low32Very low144 Ų144134.7 Ų134.774%0.73880%0.795SS**  91.2146.690.7-80.6170.7000112.5
474P33Very low31.9Very low107 Ų107138.6 Ų138.670%0.69581%0.805SS**  cis-133.8158.524.327.4-3.7000120.1
475I25.2Very low31.2Very low154 Ų154138 Ų13879%0.7980%0.799SS**  trans22124132.4-48.4173.5000119.7
476I31.9Very low30.7Very low161 Ų161140.4 Ų140.483%0.82680%0.795SS**  trans-156.5144.4132.9-101.8153.4000109.7
477R26.1Very low30.6Very low244 Ų244143.9 Ų143.992%0.92180%0.799SS**  trans-114.3148161.9-75.4-177.7172.1-175.8-2.1107.4
478P32.2Very low29.9Very low106 Ų106145.9 Ų145.969%0.68880%0.796SS**  -150.6154.2105.736.7-19.4000117.5
479Q31.3Very low29.5Very low174 Ų174144.2 Ų144.281%0.81379%0.79SS**  trans49.1102.8138.5-62.2174.8-5.600122
480N25.9Very low29.2Very low141 Ų141145.5 Ų145.575%0.75479%0.787SS**  37.5105.9101.1-171.551.6000118.6
481V30.9Very low28.5Very low141 Ų141146.9 Ų146.986%0.85579%0.787SS**  trans-135144159.9-178.10000109
482Q31.3Very low28.3Very low153 Ų153147.1 Ų147.172%0.71578%0.782SS**PPolyproline II helixtrans-95.7161.6-171.4-76.2-162.2-0.400114.3
483P28.2Very low28.3Very low115 Ų115146.5 Ų146.575%0.74779%0.786SS**PPolyproline II helixtrans-68.1145.6173.229.6-36.5000112.2
484V28.9Very low28.4Very low149 Ų149148.4 Ų148.490%0.90379%0.791SS**PPolyproline II helixtrans-97.3124.7-179.5177.90000110.8
485T26.5Very low28.2Very low116 Ų116148.3 Ų148.371%0.71279%0.793SS**  trans-119.2116.6179.7-52.70000111.1
486R24.2Very low28.4Very low224 Ų224152.3 Ų152.385%0.84580%0.798SS**  trans26110146.4-168.3-168.2-153.31666.7118.5
487I28.5Very low28.3Very low167 Ų167152 Ų15286%0.85679%0.794SS**  trans-130.8153.5152.7-63.9-176.4000108.8
488M22.9Very low28.4Very low169 Ų169147.8 Ų147.883%0.83379%0.794SS**  trans-126.5166.4-178.9-98.6-176.5155.800112
489A26.1Very low28.1Very low89 Ų89152.2 Ų152.274%0.73680%0.799SS**  trans87.5132.4159.800000119.5
490S25.3Very low28.1Very low103 Ų103150.9 Ų150.972%0.7280%0.802SS**  trans37.2134.5144.551.70000120.3
491D28.5Very low28.3Very low153 Ų153147.4 Ų147.482%0.81880%0.799SS**  cis-156.5179.949.2-112.7-42.4000116.2
492I29.2Very low28.3Very low142 Ų142148.8 Ų148.873%0.72880%0.802SS**  trans-104.8153.2-173.6-54163.8000112
493P31.4Very low28.7Very low125 Ų125147.3 Ų147.381%0.81281%0.806SS**  trans-132.6161.1132.615.16.2000115.4
494Q29.6Very low28.9Very low183 Ų183144.8 Ų144.886%0.85580%0.801SS**  trans-91.5-179.7-172.5-57166.8-17.700111.2
495S27.9Very low29.3Very low105 Ų105146.6 Ų146.673%0.73480%0.799SS**  cis178.9160.641.951.40000114.2
496R30.1Very low29.7Very low238 Ų238145.5 Ų145.590%0.89880%0.796SS**  trans-169.796.8148-111-176.5176.2-169.2-1108.4
497Q29.1Very low30.1Very low156 Ų156143.7 Ų143.773%0.72979%0.794SS**  67.1106.589.1-85.2-165-20.400117
498V28.4Very low30.1Very low154 Ų154143 Ų14393%0.93379%0.791SS**  trans-137.8164.1137.9-176.60000106.6
499Y25.6Very low30.6Very low200 Ų200141 Ų14178%0.78479%0.789SS**  trans-120.4-175-155.8-130.4-99.9000115.5
500V31.3Very low30.8Very low146 Ų146143.9 Ų143.989%0.88579%0.792SS**  trans90.1128.4173.3-171.10000115.1
501G31Very low31.1Very low67 Ų67144.3 Ų144.369%0.69179%0.794SS**  cis178.7144.2-8.600000115.6
502D31.3Very low31.3Very low170 Ų170145.9 Ų145.991%0.90979%0.794SS**  trans60.4143.6165.5-106.64000124.3
503P39.4Very low31.3Very low122 Ų122145.5 Ų145.579%0.79279%0.793SS**  trans-127.9-175.1-17845.5-32.1000115.7
504G32.7Very low31.4Very low62 Ų62146.6 Ų146.664%0.63979%0.791SS**  trans-169.5126.2164.600000118.2
505H36Very low31.2Very low188 Ų188142.8 Ų142.887%0.8779%0.785SS**  trans61145155.5-74.3-109.5000120.2
506S34.4Very low31.4Very low92 Ų92144.8 Ų144.864%0.64379%0.793SS**  cis-166.2149.7-8.349.90000113.9
507K33.5Very low31.4Very low186 Ų186139 Ų13981%0.80979%0.788SS**  trans27.2138.5137.3-56.8-178.9179.8178.20118.9
508L29.1Very low31.6Very low152 Ų152136 Ų13680%0.79679%0.791SS**  cis-157.7-157.37.7-138.161.5000106.8
509V32.7Very low31.8Very low129 Ų129135.5 Ų135.578%0.78278%0.782SS**  cis-145.5162.113.9-157.60000111
510N30.4Very low32.2Very low149 Ų149132.8 Ų132.880%0.79778%0.782SS**  trans-59.7173.4158.9-83.8-33.8000114.2
511S32.5Very low32Very low111 Ų111135.4 Ų135.478%0.77678%0.781SS**  cis-158.3-179.223-139.80000115.4
512K31.5Very low32.2Very low186 Ų186137 Ų13781%0.80978%0.78SS**  trans-74.1175.7179-54.5172.4-177.4174.70111.8
513N29.9Very low32Very low134 Ų134137.4 Ų137.472%0.71778%0.776SS**  cis179.8172.647.9-14611.3000114.6
514I32.2Very low31.8Very low149 Ų149139.8 Ų139.876%0.76478%0.776SS**  trans83.2153.1156.3-66.5160.3000119.5
515S26Very low31.4Very low103 Ų103142.2 Ų142.272%0.7278%0.783SS**  trans-140.5159.5-168.9-40.10000112.4
516T32.7Very low31.3Very low147 Ų147141.5 Ų141.590%0.90278%0.78SS**  trans163.5-177.114037.70000111.3
517S30Very low31.3Very low116 Ų116142.4 Ų142.481%0.81179%0.787SS**  trans-125.9161.7-140.7-50.50000117.4
518A33.4Very low31.3Very low94 Ų94139 Ų13978%0.77778%0.784SS**  trans74.2154.1164.400000116.6
519N31.7Very low31.6Very low142 Ų142137.2 Ų137.276%0.75978%0.781SS**  cis-149.9175.314.6-1586000113.6
520N33.8Very low31.4Very low143 Ų143138.9 Ų138.977%0.76579%0.785SS**  trans86.2136.7163.2-63.4-16.1000120.9
521K28.7Very low31.5Very low202 Ų202138.2 Ų138.288%0.87879%0.785SS**  trans-94.8-179.4172-104.3-178.8180178.10109.4
522P33.4Very low31.6Very low101 Ų101137.8 Ų137.866%0.65678%0.778SS**  cis-137.7169.716.741.7-23.4000118.3
523Q27.7Very low31.5Very low178 Ų178135.5 Ų135.583%0.83278%0.775SS**  trans32.8109.9143.4-65.3169.2-42.700120.2
524H34.8Very low31.5Very low172 Ų172136.8 Ų136.880%0.79678%0.781SS**  -148.2138.9115.2-135.6-86.6000111.3
525S25.6Very low31.8Very low113 Ų113136.8 Ų136.879%0.7978%0.782SS**  trans-105.6102.9179.153.20000110.5
526Q34.1Very low32.8Very low173 Ų173138 Ų13881%0.80877%0.774SS**  trans-139.8112.9165-71.5-171.9-9.900109.2
527S32.9Very low33.8Very low111 Ų111135 Ų13578%0.77676%0.757SS**PPolyproline II helixtrans-71.7141.6163.6470000109.5
528P35Very low35.5Very low115 Ų115131.2 Ų131.275%0.74773%0.731SS**PPolyproline II helixtrans-65.6145.2177.728.8-34.9000110.8
529P33.8Very low37.2Very low113 Ų113128.1 Ų128.173%0.73470%0.704SS**PPolyproline II helixtrans-69.3135173.529.5-33.8000110.4V531P529-V531 PolarHBondContact O-N 2.67Å; P529-V531 VanDerWaalsContact O-N 3.11Å
530L29.8Very low39.4Very low165 Ų165121.4 Ų121.486%0.86467%0.668SS**  trans-70.5103.1167.2-75.7169.1000108.9V532L530-V532 VanDerWaalsContact C-N 3.31Å; L530-V532 PolarHBondContact O-N 3.23Å
531V32.5Very low41.4Very low134 Ų134118 Ų11881%0.81265%0.647SS**  trans-75.486.5171.9-177.80000108.5P529P529-V531 PolarHBondContact O-N 2.67Å; P529-V531 VanDerWaalsContact O-N 3.11Å
532V34.1Very low43.7Very low102 Ų102113.4 Ų113.462%0.61863%0.629SS**  trans-71125.6172.2-178.30000108.8L530 L534L530-V532 VanDerWaalsContact C-N 3.31Å; L530-V532 PolarHBondContact O-N 3.23Å; V532-L534 PolarHBondContact O-N 2.76Å; V532-L534 VanDerWaalsContact O-N 3.1Å
533N29.8Very low45.7Very low138 Ų138113 Ų11374%0.73862%0.618SS**  trans-80.593.7-172.7-166.3-0.1000111.2N535N533-N535 PolarHBondContact O-N 3.09Å
534L30.4Very low47.9Very low162 Ų162105.3 Ų105.385%0.84858%0.583SS**  trans-71.930.5-167.8-86.4162.9000116.4V532V532-L534 PolarHBondContact O-N 2.76Å; V532-L534 VanDerWaalsContact O-N 3.1Å
535N38.8Very low50.1Low149 Ų14998.9 Ų98.980%0.79755%0.554SS**  trans-125.527.8-169.9-94.1-19.4000115.8N533N533-N535 PolarHBondContact O-N 3.09Å
536K45.4Very low52.7Low127 Ų12795.9 Ų95.955%0.55253%0.532SS*.SBendtrans-123.7129160.4-71.9174.3179.2168.60108.2S538 D620 S621K536-S538 PolarHBondContact O-N 2.83Å; K536-D620 PolarHBondContact NZ-O 3.24Å; K536-S621 PolarHBondContact NZ-OXT 3.23Å
537P54.7Low54.8Low84 Ų8492.8 Ų92.855%0.54552%0.521SS..  trans-65.6134.617527.4-33000109.7H541 Q542P537-H541 HydrophobicContact CB-CB 4.19Å; P537-Q542 HydrophobicContact CG-CG 4.32Å; P537-Q542 PolarHBondContact O-NE2 3.48Å
538S66.3Low57.1Low38 Ų3888.4 Ų88.427%0.26649%0.488SS..  trans-67163.4-17273.90000113.1K536 F540 H541 Q542 D577K536-S538 PolarHBondContact O-N 2.83Å; S538-F540 PolarHBondContact O-N 3.09Å; S538-F540 VanDerWaalsContact O-N 3.12Å; S538-H541 PolarHBondContact O-N 2.66Å; S538-H541 PolarHBondContact OG-ND1 2.68Å; S538-Q542 PolarHBondContact O-N 3.43Å; S538-Q542 VanDerWaalsContact O-N 3.11Å; S538-D577 WeakPolarHBondContact CB-OD2 3.12Å; S538-D577 PolarHBondContact OG-OD2 2.96Å
539C68.7Low59.3Low29 Ų2987.6 Ų87.620%0.19648%0.475CS..Hα-helixtrans-54.4-33.4-179.8-162.80000112.2Q542 H543 T584C539-Q542 PolarHBondContact O-N 3.37Å; C539-H543 PolarHBondContact O-N 2.77Å; C539-H543 VanDerWaalsContact O-N 3.08Å; C539-T584 HydrophobicContact CB-CG2 4.41Å
540F76.9Confident61.4Low1 Ų187 Ų870%0.00447%0.465CS..Iπ-helixtrans-55-55168.9176.4-107.7000112.6S538 Q542 H543 V544 L545 L548 A570 F573 Q574 D577 T584S538-F540 PolarHBondContact O-N 3.09Å; S538-F540 VanDerWaalsContact O-N 3.12Å; F540-Q542 VanDerWaalsContact C-N 3.27Å; F540-Q542 PolarHBondContact O-N 3.48Å; F540-H543 PolarHBondContact O-N 3.38Å; F540-V544 HydrophobicContact CD2-CB 3.69Å; F540-V544 HydrophobicContact CD2-CG1 3.82Å; F540-V544 HydrophobicContact CE2-CB 4.12Å; F540-V544 HydrophobicContact CE2-CG1 3.84Å; F540-V544 PolarHBondContact O-N 3.48Å; F540-L545 HydrophobicContact CD1-CB 4.29Å; F540-L545 HydrophobicContact CE1-CB 3.93Å; F540-L545 HydrophobicContact CE1-CD1 4.07Å; F540-L545 HydrophobicContact CE1-CD2 4.25Å; F540-L545 HydrophobicContact CE1-CG 4.31Å; F540-L545 HydrophobicContact CE2-CB 4.46Å; F540-L545 HydrophobicContact CZ-CB 4.02Å; F540-L545 HydrophobicContact CZ-CD1 3.95Å; F540-L545 HydrophobicContact CZ-CG 4.48Å; F540-L545 PolarHBondContact O-N 2.86Å; F540-L548 HydrophobicContact CE2-CD1 4.03Å; F540-L548 HydrophobicContact CZ-CD1 4.39Å; F540-A570 HydrophobicContact CZ-CB 4.32Å; F540-A570 WeakPolarHBondContact CZ-O 3.19Å; F540-F573 HydrophobicContact CD2-CB 3.73Å; F540-F573 HydrophobicContact CD2-CG 4.39Å; F540-F573 HydrophobicContact CE2-CB 3.33Å; F540-F573 HydrophobicContact CE2-CG 4.1Å; F540-F573 HydrophobicContact CZ-CB 3.98Å; F540-Q574 HydrophobicContact CD1-CB 4.4Å; F540-Q574 HydrophobicContact CE1-CB 3.88Å; F540-Q574 HydrophobicContact CE1-CG 4.26Å; F540-Q574 HydrophobicContact CZ-CB 4.44Å; F540-D577 HydrophobicContact CB-CB 4.47Å; F540-T584 HydrophobicContact CB-CG2 4.05Å
541H76.8Confident63.4Low72 Ų7283.2 Ų83.233%0.33345%0.445SS..Iπ-helixtrans-66.7-26.6-177.9-64.586.8000113.2P537 S538 Q574P537-H541 HydrophobicContact CB-CB 4.19Å; S538-H541 PolarHBondContact O-N 2.66Å; S538-H541 PolarHBondContact OG-ND1 2.68Å; H541-Q574 PolarHBondContact NE2-NE2 3.16Å; H541-Q574 VanDerWaalsContact NE2-NE2 3.18Å
542Q75.4Confident65.6Low105 Ų10578.9 Ų78.949%0.49142%0.416SS..Iπ-helixtrans-84-30.1179.6-63.9-171.521.700114.1P537 S538 C539 F540P537-Q542 HydrophobicContact CG-CG 4.32Å; P537-Q542 PolarHBondContact O-NE2 3.48Å; S538-Q542 PolarHBondContact O-N 3.43Å; S538-Q542 VanDerWaalsContact O-N 3.11Å; C539-Q542 PolarHBondContact O-N 3.37Å; F540-Q542 VanDerWaalsContact C-N 3.27Å; F540-Q542 PolarHBondContact O-N 3.48Å
543H75.5Confident67.5Low93 Ų9379 Ų7943%0.43141%0.414SS..Iπ-helixtrans-133.9-30.8-166.1-60.3-24.2000115.2C539 F540 L547 L588C539-H543 PolarHBondContact O-N 2.77Å; C539-H543 VanDerWaalsContact O-N 3.08Å; F540-H543 PolarHBondContact O-N 3.38Å; H543-L547 WeakPolarHBondContact O-CD1 3.47Å; H543-L547 WeakPolarHBondContact O-CG 3.37Å; H543-L588 HydrophobicContact CB-CD1 4.17Å
544V75.1Confident69.6Low16 Ų1676.4 Ų76.410%0.09740%0.402CS..Iπ-helixtrans-99.6-44.3-175.3-178.20000111.4F540 L547 L548 T584 L588F540-V544 HydrophobicContact CD2-CB 3.69Å; F540-V544 HydrophobicContact CD2-CG1 3.82Å; F540-V544 HydrophobicContact CE2-CB 4.12Å; F540-V544 HydrophobicContact CE2-CG1 3.84Å; F540-V544 PolarHBondContact O-N 3.48Å; V544-L547 PolarHBondContact O-N 3.17Å; V544-L548 HydrophobicContact CG1-CD1 4Å; V544-L548 HydrophobicContact CG1-CG 4.27Å; V544-L548 WeakPolarHBondContact O-CG 3.47Å; V544-L548 PolarHBondContact O-N 3.19Å; V544-T584 HydrophobicContact CG2-CG2 3.59Å; V544-L588 HydrophobicContact CG2-CD1 4.01Å; V544-L588 HydrophobicContact CG2-CD2 4.09Å; V544-L588 HydrophobicContact CG2-CG 4.24Å
545L80Confident71.3Confident37 Ų3774.1 Ų74.119%0.19438%0.383CS..Hα-helixtrans-59.5-42.9179.7-177.261.4000112.9F540 L547 L548 Q549 A570F540-L545 HydrophobicContact CD1-CB 4.29Å; F540-L545 HydrophobicContact CE1-CB 3.93Å; F540-L545 HydrophobicContact CE1-CD1 4.07Å; F540-L545 HydrophobicContact CE1-CD2 4.25Å; F540-L545 HydrophobicContact CE1-CG 4.31Å; F540-L545 HydrophobicContact CE2-CB 4.46Å; F540-L545 HydrophobicContact CZ-CB 4.02Å; F540-L545 HydrophobicContact CZ-CD1 3.95Å; F540-L545 HydrophobicContact CZ-CG 4.48Å; F540-L545 PolarHBondContact O-N 2.86Å; L545-L547 PolarHBondContact O-N 3.1Å; L545-L548 PolarHBondContact O-N 3.11Å; L545-Q549 HydrophobicContact CD1-CG 4.33Å; L545-Q549 VanDerWaalsContact O-CG 3.32Å; L545-Q549 WeakPolarHBondContact O-CG 3.09Å; L545-Q549 PolarHBondContact O-N 3.36Å; L545-A570 HydrophobicContact CD1-CB 4.28Å
546P81.9Confident72.8Confident49 Ų4969.8 Ų69.832%0.31836%0.364SS..Hα-helixtrans-60.6-43.9175.2-23.935.4000112.5L548 Q549 D550P546-L548 VanDerWaalsContact C-N 3.32Å; P546-L548 PolarHBondContact O-N 3.09Å; P546-Q549 WeakPolarHBondContact O-CB 3.37Å; P546-Q549 PolarHBondContact O-N 3.42Å; P546-Q549 VanDerWaalsContact O-N 3.07Å; P546-D550 VanDerWaalsContact O-CG 3.31Å; P546-D550 PolarHBondContact O-N 3.22Å
547L77.8Confident73.8Confident109 Ų10971.3 Ų71.357%0.57137%0.373SS*.Hα-helixtrans-65.6-33.7178-64.1176.1000112.7H543 V544 L545 L551H543-L547 WeakPolarHBondContact O-CD1 3.47Å; H543-L547 WeakPolarHBondContact O-CG 3.37Å; V544-L547 PolarHBondContact O-N 3.17Å; L545-L547 PolarHBondContact O-N 3.1Å; L547-L551 WeakPolarHBondContact O-CB 3.21Å; L547-L551 WeakPolarHBondContact O-CD1 3.32Å; L547-L551 VanDerWaalsContact O-CG 3.28Å; L547-L551 WeakPolarHBondContact O-CG 3.34Å; L547-L551 PolarHBondContact O-N 3.11Å
548L79.9Confident74.3Confident18 Ų1872.8 Ų72.89%0.09438%0.381CS..Hα-helixtrans-69.9-34.1172.1-69.4177.3000111.8F540 V544 L545 P546 Q552 I566 L569 A570F540-L548 HydrophobicContact CE2-CD1 4.03Å; F540-L548 HydrophobicContact CZ-CD1 4.39Å; V544-L548 HydrophobicContact CG1-CD1 4Å; V544-L548 HydrophobicContact CG1-CG 4.27Å; V544-L548 WeakPolarHBondContact O-CG 3.47Å; V544-L548 PolarHBondContact O-N 3.19Å; L545-L548 PolarHBondContact O-N 3.11Å; P546-L548 VanDerWaalsContact C-N 3.32Å; P546-L548 PolarHBondContact O-N 3.09Å; L548-Q552 VanDerWaalsContact O-CB 3.25Å; L548-Q552 WeakPolarHBondContact O-CB 3.39Å; L548-Q552 PolarHBondContact O-N 3.23Å; L548-I566 HydrophobicContact CB-CG2 4.26Å; L548-I566 HydrophobicContact CD2-CG2 4.4Å; L548-I566 VanDerWaalsContact O-CG2 3.31Å; L548-I566 WeakPolarHBondContact O-CG2 3.4Å; L548-L569 HydrophobicContact CD2-CD2 4.01Å; L548-A570 HydrophobicContact CD1-CB 3.96Å
549Q81.4Confident74.1Confident99 Ų9973.6 Ų73.646%0.46338%0.384SS..Hα-helixtrans-70.6-45.7174.9-71.7171.2-43.900111.7L545 P546 L551 Q552 D553L545-Q549 HydrophobicContact CD1-CG 4.33Å; L545-Q549 VanDerWaalsContact O-CG 3.32Å; L545-Q549 WeakPolarHBondContact O-CG 3.09Å; L545-Q549 PolarHBondContact O-N 3.36Å; P546-Q549 WeakPolarHBondContact O-CB 3.37Å; P546-Q549 PolarHBondContact O-N 3.42Å; P546-Q549 VanDerWaalsContact O-N 3.07Å; Q549-L551 VanDerWaalsContact C-N 3.3Å; Q549-L551 PolarHBondContact O-N 3.33Å; Q549-Q552 WeakPolarHBondContact O-CA 3.35Å; Q549-Q552 WeakPolarHBondContact O-CB 3.45Å; Q549-Q552 PolarHBondContact O-N 2.83Å; Q549-D553 PolarHBondContact O-N 3.37Å
550D77.6Confident73.7Confident99 Ų9978.5 Ų78.553%0.52942%0.419SS..Hα-helixtrans-56.2-44.9173.2-65.8-30.9000111.1P546 V554P546-D550 VanDerWaalsContact O-CG 3.31Å; P546-D550 PolarHBondContact O-N 3.22Å; D550-V554 WeakPolarHBondContact O-CG2 3.48Å; D550-V554 PolarHBondContact O-N 2.99Å; D550-V554 VanDerWaalsContact O-N 3.12Å
551L73Confident73Confident86 Ų8680.2 Ų80.245%0.4544%0.437SS..Hα-helixtrans-65.6-38.9173.9-77.6168.8000112.4L547 Q549 V554 Y555 I566L547-L551 WeakPolarHBondContact O-CB 3.21Å; L547-L551 WeakPolarHBondContact O-CD1 3.32Å; L547-L551 VanDerWaalsContact O-CG 3.28Å; L547-L551 WeakPolarHBondContact O-CG 3.34Å; L547-L551 PolarHBondContact O-N 3.11Å; Q549-L551 VanDerWaalsContact C-N 3.3Å; Q549-L551 PolarHBondContact O-N 3.33Å; L551-V554 PolarHBondContact O-N 3.02Å; L551-Y555 HydrophobicContact CD2-CE2 4.3Å; L551-Y555 WeakPolarHBondContact O-CB 3.25Å; L551-Y555 WeakPolarHBondContact O-CD2 3.47Å; L551-Y555 PolarHBondContact O-N 3.09Å; L551-I566 HydrophobicContact CB-CD1 4.42Å
552Q79.3Confident72.3Confident44 Ų4477.9 Ų77.921%0.20643%0.43CS..Hα-helixtrans-63-43.7177.9-173.6166.91.700111.2L548 Q549 Y555 S556 S563 I566 S567L548-Q552 VanDerWaalsContact O-CB 3.25Å; L548-Q552 WeakPolarHBondContact O-CB 3.39Å; L548-Q552 PolarHBondContact O-N 3.23Å; Q549-Q552 WeakPolarHBondContact O-CA 3.35Å; Q549-Q552 WeakPolarHBondContact O-CB 3.45Å; Q549-Q552 PolarHBondContact O-N 2.83Å; Q552-Y555 PolarHBondContact O-N 3.24Å; Q552-S556 WeakPolarHBondContact O-CB 3.49Å; Q552-S556 PolarHBondContact O-N 2.65Å; Q552-S556 PolarHBondContact O-OG 3.04Å; Q552-S563 VanDerWaalsContact CG-OG 3.27Å; Q552-S563 WeakPolarHBondContact CG-OG 3.46Å; Q552-S563 PolarHBondContact NE2-O 2.85Å; Q552-S563 PolarHBondContact NE2-OG 2.85Å; Q552-I566 HydrophobicContact CB-CB 4.37Å; Q552-I566 HydrophobicContact CB-CD1 4.44Å; Q552-I566 HydrophobicContact CB-CG2 3.88Å; Q552-I566 HydrophobicContact CG-CG2 4.48Å; Q552-S567 PolarHBondContact NE2-OG 2.88Å
553D72.8Confident71.9Confident105 Ų10574.1 Ų74.156%0.56142%0.415SS*.Hα-helixtrans-66.8-40.2178.8-76.9-10.7000111.6Q549 Q557Q549-D553 PolarHBondContact O-N 3.37Å; D553-Q557 WeakPolarHBondContact O-CG 3.3Å; D553-Q557 PolarHBondContact O-N 2.77Å; D553-Q557 PolarHBondContact O-NE2 2.84Å
554V73.4Confident71.8Confident82 Ų8274.6 Ų74.650%0.49742%0.421SS..Hα-helixtrans-63.2-51.2173.3170.40000111.3D550 L551 S556 Q557 V558D550-V554 WeakPolarHBondContact O-CG2 3.48Å; D550-V554 PolarHBondContact O-N 2.99Å; D550-V554 VanDerWaalsContact O-N 3.12Å; L551-V554 PolarHBondContact O-N 3.02Å; V554-S556 VanDerWaalsContact C-N 3.32Å; V554-S556 PolarHBondContact O-N 3.05Å; V554-Q557 PolarHBondContact O-N 2.93Å; V554-V558 PolarHBondContact O-N 3.45Å
555Y66.4Low71.8Confident114 Ų11477.6 Ų77.645%0.44744%0.443SS..Hα-helixtrans-69.5-27.6-177.9-89.5-87.7000113.3L551 Q552 Q557 V558 T559 A562 I566L551-Y555 HydrophobicContact CD2-CE2 4.3Å; L551-Y555 WeakPolarHBondContact O-CB 3.25Å; L551-Y555 WeakPolarHBondContact O-CD2 3.47Å; L551-Y555 PolarHBondContact O-N 3.09Å; Q552-Y555 PolarHBondContact O-N 3.24Å; Y555-Q557 VanDerWaalsContact C-N 3.27Å; Y555-Q557 PolarHBondContact O-N 3.08Å; Y555-V558 PolarHBondContact O-N 3.47Å; Y555-T559 PolarHBondContact O-N 2.93Å; Y555-T559 PolarHBondContact O-OG1 3.42Å; Y555-A562 HydrophobicContact CD1-CB 3.82Å; Y555-A562 HydrophobicContact CG-CB 4.22Å; Y555-I566 HydrophobicContact CD2-CD1 4.12Å; Y555-I566 HydrophobicContact CG-CD1 4.14Å
556S70.1Confident71.8Confident58 Ų5876.9 Ų76.941%0.40644%0.439SS..Hα-helixtrans-69.9-23.3174.3-57.50000113Q552 V554 S563Q552-S556 WeakPolarHBondContact O-CB 3.49Å; Q552-S556 PolarHBondContact O-N 2.65Å; Q552-S556 PolarHBondContact O-OG 3.04Å; V554-S556 VanDerWaalsContact C-N 3.32Å; V554-S556 PolarHBondContact O-N 3.05Å; S556-S563 VanDerWaalsContact OG-CB 3.24Å; S556-S563 WeakPolarHBondContact OG-CB 3.47Å; S556-S563 PolarHBondContact OG-OG 2.81Å
557Q67.5Low71.8Confident159 Ų15977 Ų7774%0.74344%0.441SS*.Hα-helixtrans-81.4-25.4174.1-71.916773.100112.9D553 V554 Y555D553-Q557 WeakPolarHBondContact O-CG 3.3Å; D553-Q557 PolarHBondContact O-N 2.77Å; D553-Q557 PolarHBondContact O-NE2 2.84Å; V554-Q557 PolarHBondContact O-N 2.93Å; Y555-Q557 VanDerWaalsContact C-N 3.27Å; Y555-Q557 PolarHBondContact O-N 3.08Å
558V65.2Low71.9Confident116 Ų11676.8 Ų76.870%0.70344%0.44SS*.Hα-helixtrans-106.6-29.9-172.4-175.10000113V554 Y555V554-V558 PolarHBondContact O-N 3.45Å; Y555-V558 PolarHBondContact O-N 3.47Å
559T60.8Low71.8Confident55 Ų5579.7 Ų79.734%0.33746%0.455SS..  trans-145.7128.5-171.957.40000113.4Y555 A562Y555-T559 PolarHBondContact O-N 2.93Å; Y555-T559 PolarHBondContact O-OG1 3.42Å; T559-A562 WeakPolarHBondContact OG1-CB 3.26Å
560S60Low71.9Confident131 Ų13175.7 Ų75.792%0.91644%0.439SS*.THydrogen-bonded Turntrans-72.8132.8169.244.30000111.1
561G62.6Low72.2Confident37 Ų3773.5 Ų73.538%0.38144%0.435SS..THydrogen-bonded Turntrans91.1-15.217800000116.7S563 S565G561-S563 VanDerWaalsContact C-N 3.32Å; G561-S565 PolarHBondContact O-OG 3.35Å
562A62.5Low72.6Confident23 Ų2373.4 Ų73.419%0.1944%0.438CS..Hα-helixtrans-69.5-32.6171.900000112Y555 T559 D564 S565 I566Y555-A562 HydrophobicContact CD1-CB 3.82Å; Y555-A562 HydrophobicContact CG-CB 4.22Å; T559-A562 WeakPolarHBondContact OG1-CB 3.26Å; A562-D564 VanDerWaalsContact C-N 3.3Å; A562-D564 PolarHBondContact O-N 3.04Å; A562-S565 WeakPolarHBondContact O-CB 3.21Å; A562-S565 PolarHBondContact O-N 3.39Å; A562-I566 WeakPolarHBondContact O-CG1 3.45Å; A562-I566 PolarHBondContact O-N 3.48Å
563S66.1Low72.6Confident27 Ų2772.9 Ų72.919%0.18944%0.435CS..Hα-helixtrans-56.8-41.5176-154.90000112.4Q552 S556 G561 S565 I566 S567Q552-S563 VanDerWaalsContact CG-OG 3.27Å; Q552-S563 WeakPolarHBondContact CG-OG 3.46Å; Q552-S563 PolarHBondContact NE2-O 2.85Å; Q552-S563 PolarHBondContact NE2-OG 2.85Å; S556-S563 VanDerWaalsContact OG-CB 3.24Å; S556-S563 WeakPolarHBondContact OG-CB 3.47Å; S556-S563 PolarHBondContact OG-OG 2.81Å; G561-S563 VanDerWaalsContact C-N 3.32Å; S563-S565 VanDerWaalsContact C-N 3.34Å; S563-S565 PolarHBondContact O-N 3.22Å; S563-I566 PolarHBondContact O-N 2.89Å; S563-S567 WeakPolarHBondContact O-CB 3.35Å; S563-S567 PolarHBondContact O-N 3.33Å; S563-S567 PolarHBondContact O-OG 2.86Å
564D74.7Confident73Confident102 Ų10272.4 Ų72.455%0.54543%0.43SS..Hα-helixtrans-66.1-37.6175.6-56.1-55.1000111.5A562 S567 N568A562-D564 VanDerWaalsContact C-N 3.3Å; A562-D564 PolarHBondContact O-N 3.04Å; D564-S567 PolarHBondContact O-N 2.8Å; D564-N568 WeakPolarHBondContact O-CB 3.03Å; D564-N568 PolarHBondContact O-N 3.08Å; D564-N568 PolarHBondContact O-ND2 3.34Å
565S75.6Confident73.3Confident80 Ų8071.6 Ų71.656%0.55943%0.431SS*.Hα-helixtrans-66.1-40.1178.3-59.30000111.8G561 A562 S563 L569G561-S565 PolarHBondContact O-OG 3.35Å; A562-S565 WeakPolarHBondContact O-CB 3.21Å; A562-S565 PolarHBondContact O-N 3.39Å; S563-S565 VanDerWaalsContact C-N 3.34Å; S563-S565 PolarHBondContact O-N 3.22Å; S565-L569 WeakPolarHBondContact O-CB 3.49Å; S565-L569 PolarHBondContact O-N 3.2Å
566I79.4Confident73.9Confident22 Ų2268.4 Ų68.411%0.11342%0.423CS..Hα-helixtrans-71.7-38.8176.4-62.2165.4000110.8L548 L551 Q552 Y555 A562 S563 N568 L569 A570L548-I566 HydrophobicContact CB-CG2 4.26Å; L548-I566 HydrophobicContact CD2-CG2 4.4Å; L548-I566 VanDerWaalsContact O-CG2 3.31Å; L548-I566 WeakPolarHBondContact O-CG2 3.4Å; L551-I566 HydrophobicContact CB-CD1 4.42Å; Q552-I566 HydrophobicContact CB-CB 4.37Å; Q552-I566 HydrophobicContact CB-CD1 4.44Å; Q552-I566 HydrophobicContact CB-CG2 3.88Å; Q552-I566 HydrophobicContact CG-CG2 4.48Å; Y555-I566 HydrophobicContact CD2-CD1 4.12Å; Y555-I566 HydrophobicContact CG-CD1 4.14Å; A562-I566 WeakPolarHBondContact O-CG1 3.45Å; A562-I566 PolarHBondContact O-N 3.48Å; S563-I566 PolarHBondContact O-N 2.89Å; I566-N568 PolarHBondContact O-N 3.27Å; I566-L569 WeakPolarHBondContact O-CB 3.47Å; I566-L569 PolarHBondContact O-N 3.4Å; I566-A570 PolarHBondContact O-N 3.24Å
567S80.7Confident74.3Confident50 Ų5066.1 Ų66.135%0.3541%0.407SS..Hα-helixtrans-58.6-46172.7-57.60000112.1Q552 S563 D564 L569 A570 A571Q552-S567 PolarHBondContact NE2-OG 2.88Å; S563-S567 WeakPolarHBondContact O-CB 3.35Å; S563-S567 PolarHBondContact O-N 3.33Å; S563-S567 PolarHBondContact O-OG 2.86Å; D564-S567 PolarHBondContact O-N 2.8Å; S567-L569 VanDerWaalsContact C-N 3.34Å; S567-L569 PolarHBondContact O-N 3.46Å; S567-A570 PolarHBondContact O-N 3.01Å; S567-A571 WeakPolarHBondContact O-CB 3.3Å; S567-A571 PolarHBondContact O-N 2.67Å
568N81.5Confident74.7Confident106 Ų10662.4 Ų62.457%0.56740%0.403SS*.Hα-helixtrans-64.6-36.6175.9-79.1-64.8000112.3D564 I566 T572D564-N568 WeakPolarHBondContact O-CB 3.03Å; D564-N568 PolarHBondContact O-N 3.08Å; D564-N568 PolarHBondContact O-ND2 3.34Å; I566-N568 PolarHBondContact O-N 3.27Å; N568-T572 WeakPolarHBondContact O-CB 3.33Å; N568-T572 PolarHBondContact O-N 3.04Å; N568-T572 PolarHBondContact O-OG1 3.4Å
569L78Confident75.3Confident78 Ų7861 Ų6141%0.40840%0.399SS..Hα-helixtrans-65.2-46.2174.8-174.262.4000111.4L548 S565 I566 S567 T572 F573L548-L569 HydrophobicContact CD2-CD2 4.01Å; S565-L569 WeakPolarHBondContact O-CB 3.49Å; S565-L569 PolarHBondContact O-N 3.2Å; I566-L569 WeakPolarHBondContact O-CB 3.47Å; I566-L569 PolarHBondContact O-N 3.4Å; S567-L569 VanDerWaalsContact C-N 3.34Å; S567-L569 PolarHBondContact O-N 3.46Å; L569-T572 WeakPolarHBondContact O-CB 3.4Å; L569-T572 PolarHBondContact O-N 2.93Å; L569-F573 HydrophobicContact CD1-CD2 4.02Å; L569-F573 HydrophobicContact CD1-CE2 3.8Å; L569-F573 HydrophobicContact CG-CD2 4.08Å; L569-F573 HydrophobicContact CG-CE2 4.08Å; L569-F573 WeakPolarHBondContact O-CD2 3.09Å; L569-F573 PolarHBondContact O-N 3.06Å
570A83.1Confident76.1Confident15 Ų1561.2 Ų61.212%0.12440%0.402CS..Hα-helixtrans-60.7-45.9176.600000111.9F540 L545 L548 I566 S567 T572 F573 Q574F540-A570 HydrophobicContact CZ-CB 4.32Å; F540-A570 WeakPolarHBondContact CZ-O 3.19Å; L545-A570 HydrophobicContact CD1-CB 4.28Å; L548-A570 HydrophobicContact CD1-CB 3.96Å; I566-A570 PolarHBondContact O-N 3.24Å; S567-A570 PolarHBondContact O-N 3.01Å; A570-T572 VanDerWaalsContact C-N 3.31Å; A570-T572 PolarHBondContact O-N 3.23Å; A570-F573 PolarHBondContact O-N 2.95Å; A570-Q574 WeakPolarHBondContact O-CB 3.25Å; A570-Q574 PolarHBondContact O-N 3.36Å
571A83.6Confident76.7Confident53 Ų5359.5 Ų59.544%0.43839%0.388SS..Hα-helixtrans-61.4-37.717500000112.5S567 Q574 A575S567-A571 WeakPolarHBondContact O-CB 3.3Å; S567-A571 PolarHBondContact O-N 2.67Å; A571-Q574 PolarHBondContact O-N 3.07Å; A571-A575 WeakPolarHBondContact O-CB 3.25Å; A571-A575 PolarHBondContact O-N 3.5Å
572T81.7Confident77.1Confident84 Ų8463.2 Ų63.252%0.51540%0.396SS..Hα-helixtrans-64.9-48.7176.1-58.30000111.3N568 L569 A570 Q574 A575 V576N568-T572 WeakPolarHBondContact O-CB 3.33Å; N568-T572 PolarHBondContact O-N 3.04Å; N568-T572 PolarHBondContact O-OG1 3.4Å; L569-T572 WeakPolarHBondContact O-CB 3.4Å; L569-T572 PolarHBondContact O-N 2.93Å; A570-T572 VanDerWaalsContact C-N 3.31Å; A570-T572 PolarHBondContact O-N 3.23Å; T572-Q574 PolarHBondContact O-N 3.04Å; T572-A575 PolarHBondContact O-N 2.92Å; T572-V576 WeakPolarHBondContact O-CG2 3.32Å; T572-V576 PolarHBondContact O-N 3.41Å
573F78.1Confident77.7Confident33 Ų3366.7 Ų66.715%0.14540%0.404CS..Hα-helixtrans-61.1-42.8175.6-89.9-78.9000112F540 L569 A570 A575 V576 D577 Y583 F587F540-F573 HydrophobicContact CD2-CB 3.73Å; F540-F573 HydrophobicContact CD2-CG 4.39Å; F540-F573 HydrophobicContact CE2-CB 3.33Å; F540-F573 HydrophobicContact CE2-CG 4.1Å; F540-F573 HydrophobicContact CZ-CB 3.98Å; L569-F573 HydrophobicContact CD1-CD2 4.02Å; L569-F573 HydrophobicContact CD1-CE2 3.8Å; L569-F573 HydrophobicContact CG-CD2 4.08Å; L569-F573 HydrophobicContact CG-CE2 4.08Å; L569-F573 WeakPolarHBondContact O-CD2 3.09Å; L569-F573 PolarHBondContact O-N 3.06Å; A570-F573 PolarHBondContact O-N 2.95Å; F573-A575 VanDerWaalsContact C-N 3.34Å; F573-A575 PolarHBondContact O-N 3.23Å; F573-V576 PolarHBondContact O-N 3.03Å; F573-D577 WeakPolarHBondContact O-CB 3.34Å; F573-D577 PolarHBondContact O-N 3.15Å; F573-Y583 HydrophobicContact CD1-CE1 4.24Å; F573-Y583 HydrophobicContact CE1-CE1 4.18Å; F573-F587 HydrophobicContact CE1-CD1 4.09Å; F573-F587 AromaticContact CE1-CE1 4Å; F573-F587 HydrophobicContact CE1-CE1 4Å; F573-F587 HydrophobicContact CE1-CG 4.41Å; F573-F587 HydrophobicContact CE1-CZ 4.23Å; F573-F587 HydrophobicContact CZ-CE1 4.03Å; F573-F587 HydrophobicContact CZ-CE2 4.43Å; F573-F587 AromaticContact CZ-CZ 3.95Å; F573-F587 HydrophobicContact CZ-CZ 3.95Å
574Q82.4Confident78Confident96 Ų9665.4 Ų65.445%0.44940%0.395SS..Hα-helixtrans-62.4-40.3178.3-164.6179.433.500112F540 H541 A570 A571 T572 A578F540-Q574 HydrophobicContact CD1-CB 4.4Å; F540-Q574 HydrophobicContact CE1-CB 3.88Å; F540-Q574 HydrophobicContact CE1-CG 4.26Å; F540-Q574 HydrophobicContact CZ-CB 4.44Å; H541-Q574 PolarHBondContact NE2-NE2 3.16Å; H541-Q574 VanDerWaalsContact NE2-NE2 3.18Å; A570-Q574 WeakPolarHBondContact O-CB 3.25Å; A570-Q574 PolarHBondContact O-N 3.36Å; A571-Q574 PolarHBondContact O-N 3.07Å; T572-Q574 PolarHBondContact O-N 3.04Å; Q574-A578 VanDerWaalsContact O-CB 3.23Å; Q574-A578 WeakPolarHBondContact O-CB 3.3Å; Q574-A578 PolarHBondContact O-N 3.21Å
575A80.2Confident77.9Confident64 Ų6461.1 Ų61.153%0.52937%0.373SS..Hα-helixtrans-65.8-41.1175.400000112.5A571 T572 F573 S579A571-A575 WeakPolarHBondContact O-CB 3.25Å; A571-A575 PolarHBondContact O-N 3.5Å; T572-A575 PolarHBondContact O-N 2.92Å; F573-A575 VanDerWaalsContact C-N 3.34Å; F573-A575 PolarHBondContact O-N 3.23Å; A575-S579 WeakPolarHBondContact O-CB 3.37Å; A575-S579 PolarHBondContact O-N 2.97Å
576V78.5Confident77.9Confident47 Ų4761.4 Ų61.429%0.28537%0.365SS..Hα-helixtrans-67.7-47.8177.1177.40000111.1T572 F573 A578 S579 S580 Y583T572-V576 WeakPolarHBondContact O-CG2 3.32Å; T572-V576 PolarHBondContact O-N 3.41Å; F573-V576 PolarHBondContact O-N 3.03Å; V576-A578 VanDerWaalsContact C-N 3.29Å; V576-A578 PolarHBondContact O-N 3.06Å; V576-S579 PolarHBondContact O-N 3.36Å; V576-S579 PolarHBondContact O-OG 3.39Å; V576-S580 PolarHBondContact O-N 2.72Å; V576-Y583 HydrophobicContact CB-CD1 4.34Å; V576-Y583 HydrophobicContact CB-CE1 4.43Å; V576-Y583 HydrophobicContact CG1-CD1 3.5Å; V576-Y583 HydrophobicContact CG1-CD2 3.87Å; V576-Y583 HydrophobicContact CG1-CE1 3.67Å; V576-Y583 HydrophobicContact CG1-CE2 4.02Å; V576-Y583 HydrophobicContact CG1-CG 3.61Å
577D78Confident77.9Confident11 Ų1163.9 Ų63.96%0.05938%0.376CS..Hα-helixtrans-64.4-31.8-179.8-159.964.2000112.3S538 F540 F573 S580 T584S538-D577 WeakPolarHBondContact CB-OD2 3.12Å; S538-D577 PolarHBondContact OG-OD2 2.96Å; F540-D577 HydrophobicContact CB-CB 4.47Å; F573-D577 WeakPolarHBondContact O-CB 3.34Å; F573-D577 PolarHBondContact O-N 3.15Å; D577-S580 CarbonylContact O-C 3.57Å; D577-T584 WeakPolarHBondContact OD1-CB 3.26Å; D577-T584 PolarHBondContact OD1-N 3.27Å; D577-T584 VanDerWaalsContact OD1-N 3.08Å; D577-T584 PolarHBondContact OD1-OG1 3.47Å
578A77Confident77.7Confident81 Ų8162.6 Ų62.667%0.66937%0.365SS*.Hα-helixtrans-71.9-34.1170.600000113.4Q574 V576Q574-A578 VanDerWaalsContact O-CB 3.23Å; Q574-A578 WeakPolarHBondContact O-CB 3.3Å; Q574-A578 PolarHBondContact O-N 3.21Å; V576-A578 VanDerWaalsContact C-N 3.29Å; V576-A578 PolarHBondContact O-N 3.06Å
579S77.6Confident77.5Confident86 Ų8657.5 Ų57.560%0.60134%0.338SS*.Hα-helixtrans-76.6-29.3176.278.30000113.4A575 V576A575-S579 WeakPolarHBondContact O-CB 3.37Å; A575-S579 PolarHBondContact O-N 2.97Å; V576-S579 PolarHBondContact O-N 3.36Å; V576-S579 PolarHBondContact O-OG 3.39Å
580S78Confident77.5Confident59 Ų5957.9 Ų57.941%0.41334%0.337SS..SBendtrans-13980.9-173.8-64.60000109V576 D577 Q582 Y583V576-S580 PolarHBondContact O-N 2.72Å; D577-S580 CarbonylContact O-C 3.57Å; S580-Q582 PolarHBondContact O-N 3.25Å; S580-Y583 WeakPolarHBondContact O-CB 3.48Å; S580-Y583 PolarHBondContact O-N 3.25Å
581P70.6Confident77.3Confident96 Ų9661.2 Ų61.262%0.62335%0.353SS*.THydrogen-bonded Turntrans-52.8141.4174.9-25.935000110.9Y583P581-Y583 VanDerWaalsContact C-N 3.29Å
582Q71.8Confident76.9Confident115 Ų11561.3 Ų61.354%0.53735%0.345SS..THydrogen-bonded Turntrans75.6-4-170.2-48.4171.2-11.500115.8S580 T584 T585 E586S580-Q582 PolarHBondContact O-N 3.25Å; Q582-T584 VanDerWaalsContact C-N 3.28Å; Q582-T584 PolarHBondContact O-N 3.33Å; Q582-T585 WeakPolarHBondContact O-CB 3.36Å; Q582-T585 PolarHBondContact O-N 2.87Å; Q582-E586 PolarHBondContact O-N 3.45Å
583Y75.4Confident76.8Confident95 Ų9558.9 Ų58.937%0.37333%0.33SS..Hα-helixtrans-52.7-45.9174.4173.2-95.9000111.9F573 V576 S580 P581 T585 E586 F587F573-Y583 HydrophobicContact CD1-CE1 4.24Å; F573-Y583 HydrophobicContact CE1-CE1 4.18Å; V576-Y583 HydrophobicContact CB-CD1 4.34Å; V576-Y583 HydrophobicContact CB-CE1 4.43Å; V576-Y583 HydrophobicContact CG1-CD1 3.5Å; V576-Y583 HydrophobicContact CG1-CD2 3.87Å; V576-Y583 HydrophobicContact CG1-CE1 3.67Å; V576-Y583 HydrophobicContact CG1-CE2 4.02Å; V576-Y583 HydrophobicContact CG1-CG 3.61Å; S580-Y583 WeakPolarHBondContact O-CB 3.48Å; S580-Y583 PolarHBondContact O-N 3.25Å; P581-Y583 VanDerWaalsContact C-N 3.29Å; Y583-T585 VanDerWaalsContact C-N 3.3Å; Y583-T585 PolarHBondContact O-N 3.46Å; Y583-E586 PolarHBondContact O-N 3.03Å; Y583-F587 HydrophobicContact CE1-CB 4.37Å; Y583-F587 VanDerWaalsContact O-CB 3.32Å; Y583-F587 WeakPolarHBondContact O-CB 3.44Å; Y583-F587 PolarHBondContact O-N 3.32Å
584T72.3Confident76.7Confident0 Ų064.9 Ų64.90%035%0.352CS..Hα-helixtrans-69.4-28.5179.9-54.10000112.6C539 F540 V544 D577 Q582 L588C539-T584 HydrophobicContact CB-CG2 4.41Å; F540-T584 HydrophobicContact CB-CG2 4.05Å; V544-T584 HydrophobicContact CG2-CG2 3.59Å; D577-T584 WeakPolarHBondContact OD1-CB 3.26Å; D577-T584 PolarHBondContact OD1-N 3.27Å; D577-T584 VanDerWaalsContact OD1-N 3.08Å; D577-T584 PolarHBondContact OD1-OG1 3.47Å; Q582-T584 VanDerWaalsContact C-N 3.28Å; Q582-T584 PolarHBondContact O-N 3.33Å; T584-L588 HydrophobicContact CG2-CD1 4.06Å; T584-L588 HydrophobicContact CG2-CG 4.28Å; T584-L588 VanDerWaalsContact O-CB 3.3Å; T584-L588 WeakPolarHBondContact O-CB 3.43Å; T584-L588 VanDerWaalsContact O-CG 3.26Å; T584-L588 WeakPolarHBondContact O-CG 3.35Å; T584-L588 PolarHBondContact O-N 2.93Å
585T72.9Confident76.3Confident13 Ų1364.6 Ų64.68%0.0836%0.357CS..Hα-helixtrans-66.2-46.2174.1-53.10000111.1Q582 Y583 L588 A589Q582-T585 WeakPolarHBondContact O-CB 3.36Å; Q582-T585 PolarHBondContact O-N 2.87Å; Y583-T585 VanDerWaalsContact C-N 3.3Å; Y583-T585 PolarHBondContact O-N 3.46Å; T585-L588 PolarHBondContact O-N 3.44Å; T585-A589 WeakPolarHBondContact O-CB 3.39Å; T585-A589 PolarHBondContact O-N 3.08Å
586E75.4Confident76.1Confident85 Ų8562.6 Ų62.640%0.39734%0.337SS..Hα-helixtrans-73.7-34.3178.6-73.6-62.2140.900112.4Q582 Y583 A589 E590 R615Q582-E586 PolarHBondContact O-N 3.45Å; Y583-E586 PolarHBondContact O-N 3.03Å; E586-A589 PolarHBondContact O-N 2.73Å; E586-E590 WeakPolarHBondContact O-CB 3.49Å; E586-E590 PolarHBondContact O-N 3.05Å; E586-R615 IonicContact OE1-CZ 2.7Å; E586-R615 IonicContact OE1-NE 3.81Å; E586-R615 PolarHBondContact OE1-NE 2.89Å; E586-R615 IonicContact OE1-NH2 2.74Å; E586-R615 PolarHBondContact OE1-NH2 3.11Å; E586-R615 IonicContact OE2-CZ 3.74Å; E586-R615 IonicContact OE2-NE 3.84Å; E586-R615 IonicContact OE2-NH2 2.83Å; E586-R615 PolarHBondContact OE2-NH2 3.48Å
587F79.8Confident75.9Confident74 Ų7464.6 Ų64.633%0.32535%0.346SS..Hα-helixtrans-60-46.5169.6174.5-99.5000111.9F573 Y583 E590 L591F573-F587 HydrophobicContact CE1-CD1 4.09Å; F573-F587 AromaticContact CE1-CE1 4Å; F573-F587 HydrophobicContact CE1-CE1 4Å; F573-F587 HydrophobicContact CE1-CG 4.41Å; F573-F587 HydrophobicContact CE1-CZ 4.23Å; F573-F587 HydrophobicContact CZ-CE1 4.03Å; F573-F587 HydrophobicContact CZ-CE2 4.43Å; F573-F587 AromaticContact CZ-CZ 3.95Å; F573-F587 HydrophobicContact CZ-CZ 3.95Å; Y583-F587 HydrophobicContact CE1-CB 4.37Å; Y583-F587 VanDerWaalsContact O-CB 3.32Å; Y583-F587 WeakPolarHBondContact O-CB 3.44Å; Y583-F587 PolarHBondContact O-N 3.32Å; F587-E590 PolarHBondContact O-N 2.84Å; F587-L591 HydrophobicContact CE1-CD2 4.35Å; F587-L591 VanDerWaalsContact O-CB 3.3Å; F587-L591 WeakPolarHBondContact O-CB 3.48Å; F587-L591 PolarHBondContact O-N 2.6Å
588L75.2Confident75.6Confident23 Ų2368.5 Ų68.512%0.1238%0.375CS..Hα-helixtrans-67.4-37.8175.6-74.4173000112H543 V544 T584 T585 L591 L592 L614H543-L588 HydrophobicContact CB-CD1 4.17Å; V544-L588 HydrophobicContact CG2-CD1 4.01Å; V544-L588 HydrophobicContact CG2-CD2 4.09Å; V544-L588 HydrophobicContact CG2-CG 4.24Å; T584-L588 HydrophobicContact CG2-CD1 4.06Å; T584-L588 HydrophobicContact CG2-CG 4.28Å; T584-L588 VanDerWaalsContact O-CB 3.3Å; T584-L588 WeakPolarHBondContact O-CB 3.43Å; T584-L588 VanDerWaalsContact O-CG 3.26Å; T584-L588 WeakPolarHBondContact O-CG 3.35Å; T584-L588 PolarHBondContact O-N 2.93Å; T585-L588 PolarHBondContact O-N 3.44Å; L588-L591 HydrophobicContact CD2-CD2 4.49Å; L588-L591 PolarHBondContact O-N 3.12Å; L588-L592 WeakPolarHBondContact O-CB 3.28Å; L588-L592 WeakPolarHBondContact O-CD1 3.46Å; L588-L592 PolarHBondContact O-N 3.41Å; L588-L614 HydrophobicContact CB-CD2 3.88Å
589A77.5Confident75.5Confident0 Ų067.8 Ų67.80%036%0.359CS..Hα-helixtrans-63.3-42.9175.600000111.9T585 E586 T593 L611T585-A589 WeakPolarHBondContact O-CB 3.39Å; T585-A589 PolarHBondContact O-N 3.08Å; E586-A589 PolarHBondContact O-N 2.73Å; A589-T593 WeakPolarHBondContact O-CB 3.44Å; A589-T593 PolarHBondContact O-N 3.47Å; A589-T593 PolarHBondContact O-OG1 2.85Å; A589-L611 WeakPolarHBondContact O-CD2 3.36Å
590E78.4Confident75.2Confident86 Ų8669.2 Ų69.240%0.40237%0.367SS..Hα-helixtrans-66.3-43.8175.1-179.961.9-165.700111.8E586 F587 T593 R594E586-E590 WeakPolarHBondContact O-CB 3.49Å; E586-E590 PolarHBondContact O-N 3.05Å; F587-E590 PolarHBondContact O-N 2.84Å; E590-T593 WeakPolarHBondContact O-CB 3.46Å; E590-T593 PolarHBondContact O-N 2.86Å; E590-R594 WeakPolarHBondContact O-CG 3.39Å; E590-R594 PolarHBondContact O-N 3.37Å; E590-R594 VanDerWaalsContact O-N 3.09Å; E590-R594 IonicContact OE1-CZ 3.62Å; E590-R594 IonicContact OE1-NE 2.81Å; E590-R594 PolarHBondContact OE1-NE 2.64Å; E590-R594 IonicContact OE1-NH2 2.73Å; E590-R594 PolarHBondContact OE1-NH2 3.43Å
591L78.2Confident75.2Confident85 Ų8577.7 Ų77.745%0.44539%0.39SS..Hα-helixtrans-61.4-48.2176.8-177.862.8000111.6F587 L588 T593 R594 V595F587-L591 HydrophobicContact CE1-CD2 4.35Å; F587-L591 VanDerWaalsContact O-CB 3.3Å; F587-L591 WeakPolarHBondContact O-CB 3.48Å; F587-L591 PolarHBondContact O-N 2.6Å; L588-L591 HydrophobicContact CD2-CD2 4.49Å; L588-L591 PolarHBondContact O-N 3.12Å; L591-T593 VanDerWaalsContact C-N 3.33Å; L591-T593 PolarHBondContact O-N 2.99Å; L591-R594 PolarHBondContact O-N 3.33Å; L591-V595 WeakPolarHBondContact O-CG2 3.32Å; L591-V595 PolarHBondContact O-N 3.19Å; L591-V595 VanDerWaalsContact O-N 3.09Å
592L76.8Confident75.5Confident55 Ų5575.6 Ų75.629%0.28837%0.373SS..Hα-helixtrans-64.8-34.9174.4-92.7125.9000112.3L588 R594 V595 L596 V610 L611 L614L588-L592 WeakPolarHBondContact O-CB 3.28Å; L588-L592 WeakPolarHBondContact O-CD1 3.46Å; L588-L592 PolarHBondContact O-N 3.41Å; L592-R594 PolarHBondContact O-N 3.46Å; L592-V595 PolarHBondContact O-N 3.37Å; L592-L596 HydrophobicContact CB-CD1 4.39Å; L592-L596 HydrophobicContact CD2-CD1 4.35Å; L592-L596 WeakPolarHBondContact O-CB 3.35Å; L592-L596 WeakPolarHBondContact O-CD1 3.47Å; L592-L596 WeakPolarHBondContact O-CG 3.39Å; L592-L596 PolarHBondContact O-N 3.48Å; L592-V610 HydrophobicContact CD2-CG1 4.04Å; L592-L611 HydrophobicContact CB-CD2 4.07Å; L592-L614 HydrophobicContact CD1-CD1 3.99Å; L592-L614 HydrophobicContact CD1-CD2 3.65Å; L592-L614 HydrophobicContact CD1-CG 4.48Å
593T78.6Confident75.8Confident32 Ų3273.4 Ų73.420%0.19637%0.37CS..Hα-helixtrans-58-50.9175.4-61.10000109.9A589 E590 L591 V595 L596 D597 L611A589-T593 WeakPolarHBondContact O-CB 3.44Å; A589-T593 PolarHBondContact O-N 3.47Å; A589-T593 PolarHBondContact O-OG1 2.85Å; E590-T593 WeakPolarHBondContact O-CB 3.46Å; E590-T593 PolarHBondContact O-N 2.86Å; L591-T593 VanDerWaalsContact C-N 3.33Å; L591-T593 PolarHBondContact O-N 2.99Å; T593-V595 PolarHBondContact O-N 3.39Å; T593-L596 PolarHBondContact O-N 3.05Å; T593-D597 WeakPolarHBondContact O-CB 3.06Å; T593-D597 PolarHBondContact O-N 2.79Å; T593-L611 HydrophobicContact CG2-CD1 4.34Å; T593-L611 VanDerWaalsContact OG1-CD1 3.32Å; T593-L611 WeakPolarHBondContact OG1-CD1 3.32Å; T593-L611 WeakPolarHBondContact OG1-CD2 3.45Å
594R76.5Confident75.9Confident159 Ų15971.8 Ų71.860%0.638%0.376SS*.Hα-helixtrans-62.8-40.5179.4-64.4177.2-170.8-172.33.5113E590 L591 L592 S598E590-R594 WeakPolarHBondContact O-CG 3.39Å; E590-R594 PolarHBondContact O-N 3.37Å; E590-R594 VanDerWaalsContact O-N 3.09Å; E590-R594 IonicContact OE1-CZ 3.62Å; E590-R594 IonicContact OE1-NE 2.81Å; E590-R594 PolarHBondContact OE1-NE 2.64Å; E590-R594 IonicContact OE1-NH2 2.73Å; E590-R594 PolarHBondContact OE1-NH2 3.43Å; L591-R594 PolarHBondContact O-N 3.33Å; L592-R594 PolarHBondContact O-N 3.46Å; R594-S598 PolarHBondContact O-N 3.4Å; R594-S598 VanDerWaalsContact O-N 3.12Å
595V74.4Confident76.2Confident91 Ų9176.8 Ų76.855%0.55240%0.403SS*.Hα-helixtrans-71-30.7177172.90000112.8L591 L592 T593 S598L591-V595 WeakPolarHBondContact O-CG2 3.32Å; L591-V595 PolarHBondContact O-N 3.19Å; L591-V595 VanDerWaalsContact O-N 3.09Å; L592-V595 PolarHBondContact O-N 3.37Å; T593-V595 PolarHBondContact O-N 3.39Å; V595-S598 PolarHBondContact O-OG 3.35Å; V595-S598 VanDerWaalsContact O-OG 3.1Å
596L75.8Confident76.4Confident21 Ų2179.3 Ų79.311%0.1142%0.418CS..Hα-helixtrans-78.9-36.7177.3-71.4167.1000111.8L592 T593 N599 L602 R607 V610 L611L592-L596 HydrophobicContact CB-CD1 4.39Å; L592-L596 HydrophobicContact CD2-CD1 4.35Å; L592-L596 WeakPolarHBondContact O-CB 3.35Å; L592-L596 WeakPolarHBondContact O-CD1 3.47Å; L592-L596 WeakPolarHBondContact O-CG 3.39Å; L592-L596 PolarHBondContact O-N 3.48Å; T593-L596 PolarHBondContact O-N 3.05Å; L596-N599 PolarHBondContact O-N 3Å; L596-L602 HydrophobicContact CD2-CD1 3.6Å; L596-R607 HydrophobicContact CB-CB 4.47Å; L596-R607 HydrophobicContact CB-CG 4.06Å; L596-R607 WeakPolarHBondContact O-CD 3.46Å; L596-R607 PolarHBondContact O-NE 3.36Å; L596-V610 HydrophobicContact CD1-CB 3.99Å; L596-V610 HydrophobicContact CD1-CG1 3.83Å; L596-L611 HydrophobicContact CD1-CD2 4.1Å; L596-L611 HydrophobicContact CD1-CG 4.17Å
597D74Confident76.6Confident89 Ų8977.4 Ų77.448%0.47641%0.407SS..Hα-helixtrans-74.1-28.8178-76.8-31.1000112.9T593 N599 R607T593-D597 WeakPolarHBondContact O-CB 3.06Å; T593-D597 PolarHBondContact O-N 2.79Å; D597-N599 PolarHBondContact O-N 2.86Å; D597-N599 VanDerWaalsContact O-N 3.1Å; D597-R607 WeakPolarHBondContact OD1-CD 3.18Å; D597-R607 IonicContact OD1-CZ 3.31Å; D597-R607 IonicContact OD1-NE 3.56Å; D597-R607 PolarHBondContact OD1-NE 2.92Å; D597-R607 IonicContact OD1-NH1 2.68Å; D597-R607 PolarHBondContact OD1-NH1 3.49Å
598S72.4Confident76.5Confident94 Ų9480.4 Ų80.466%0.65742%0.417SS*.THydrogen-bonded Turntrans-67.8-2.4170.772.70000114.5R594 V595R594-S598 PolarHBondContact O-N 3.4Å; R594-S598 VanDerWaalsContact O-N 3.12Å; V595-S598 PolarHBondContact O-OG 3.35Å; V595-S598 VanDerWaalsContact O-OG 3.1Å
599N74.6Confident76.6Confident66 Ų6688 Ų8835%0.35344%0.444SS..  trans-112100.1174.8-170.9-26.8000111.4L596 D597 R601 L602 R607L596-N599 PolarHBondContact O-N 3Å; D597-N599 PolarHBondContact O-N 2.86Å; D597-N599 VanDerWaalsContact O-N 3.1Å; N599-R601 PolarHBondContact O-N 3.12Å; N599-R601 VanDerWaalsContact O-N 3.15Å; N599-R601 WeakPolarHBondContact OD1-CB 3.13Å; N599-R601 PolarHBondContact OD1-N 2.89Å; N599-R601 VanDerWaalsContact OD1-N 3.09Å; N599-L602 HydrophobicContact CB-CD1 4.08Å; N599-L602 HydrophobicContact CB-CG 4.26Å; N599-L602 PolarHBondContact O-N 3.46Å; N599-R607 PolarHBondContact O-NH2 3.47Å
600P70.9Confident76.4Confident116 Ų11690.3 Ų90.375%0.75346%0.457SS*.THydrogen-bonded Turntrans-68.4-13.2-176.327.1-34.9000114L602P600-L602 VanDerWaalsContact C-N 3.31Å; P600-L602 PolarHBondContact O-N 3.45Å
601R77.9Confident76.3Confident237 Ų23787.3 Ų87.389%0.89444%0.444SS*.THydrogen-bonded Turntrans-79.7-11.1179.7-57.9-177.3-180-1801.2113.4N599N599-R601 PolarHBondContact O-N 3.12Å; N599-R601 VanDerWaalsContact O-N 3.15Å; N599-R601 WeakPolarHBondContact OD1-CB 3.13Å; N599-R601 PolarHBondContact OD1-N 2.89Å; N599-R601 VanDerWaalsContact OD1-N 3.09Å
602L75.9Confident76.2Confident52 Ų5286.7 Ų86.727%0.27244%0.441SS..SBendtrans-87.6127.6178.2-64178.3000111.3L596 N599 P600 V606 R607L596-L602 HydrophobicContact CD2-CD1 3.6Å; N599-L602 HydrophobicContact CB-CD1 4.08Å; N599-L602 HydrophobicContact CB-CG 4.26Å; N599-L602 PolarHBondContact O-N 3.46Å; P600-L602 VanDerWaalsContact C-N 3.31Å; P600-L602 PolarHBondContact O-N 3.45Å; L602-V606 HydrophobicContact CD2-CG1 4.29Å; L602-R607 HydrophobicContact CB-CG 4.04Å; L602-R607 PolarHBondContact O-NH2 2.93Å
603S79.4Confident75.9Confident69 Ų6993.3 Ų93.348%0.48346%0.462SS..  trans-72.7148.8173.773.80000111.6N605 V606 R607S603-N605 PolarHBondContact O-N 2.84Å; S603-N605 VanDerWaalsContact O-N 3.09Å; S603-V606 WeakPolarHBondContact O-CA 3.43Å; S603-V606 WeakPolarHBondContact O-CB 3.5Å; S603-V606 PolarHBondContact O-N 2.89Å; S603-V606 WeakPolarHBondContact OG-CG2 3.31Å; S603-R607 PolarHBondContact O-N 3.19Å
604A77.7Confident75.4Confident60 Ų6093.7 Ų93.750%0.49646%0.463SS..Hα-helixtrans-55.8-30179.500000113.5R608A604-R608 VanDerWaalsContact O-CB 3.29Å; A604-R608 WeakPolarHBondContact O-CB 3.42Å; A604-R608 PolarHBondContact O-N 3.41Å
605N78Confident75Confident105 Ų10591.1 Ų91.156%0.56145%0.453SS*.Hα-helixtrans-72.8-27.7175.3-71.3-22.6000113S603 R608 R609S603-N605 PolarHBondContact O-N 2.84Å; S603-N605 VanDerWaalsContact O-N 3.09Å; N605-R608 PolarHBondContact OD1-NH1 2.77Å; N605-R609 WeakPolarHBondContact O-CB 3.41Å; N605-R609 WeakPolarHBondContact O-CD 3.43Å; N605-R609 VanDerWaalsContact O-CG 3.23Å; N605-R609 WeakPolarHBondContact O-CG 3.21Å; N605-R609 PolarHBondContact O-N 2.61Å
606V77.4Confident74.2Confident66 Ų6692.1 Ų92.140%0.445%0.453SS..Hα-helixtrans-75.5-47.6171.31730000110L602 S603 R608 R609 V610L602-V606 HydrophobicContact CD2-CG1 4.29Å; S603-V606 WeakPolarHBondContact O-CA 3.43Å; S603-V606 WeakPolarHBondContact O-CB 3.5Å; S603-V606 PolarHBondContact O-N 2.89Å; S603-V606 WeakPolarHBondContact OG-CG2 3.31Å; V606-R608 PolarHBondContact O-N 2.89Å; V606-R609 PolarHBondContact O-N 3.03Å; V606-V610 WeakPolarHBondContact O-CG2 3.42Å; V606-V610 PolarHBondContact O-N 2.97Å; V606-V610 VanDerWaalsContact O-N 3.09Å
607R78.2Confident73.1Confident46 Ų4697.5 Ų97.517%0.17448%0.482CS..Hα-helixtrans-55.8-50.5176.5-59.7-166.2-170.2129.28.1111.4L596 D597 N599 L602 S603 R609 V610 L611L596-R607 HydrophobicContact CB-CB 4.47Å; L596-R607 HydrophobicContact CB-CG 4.06Å; L596-R607 WeakPolarHBondContact O-CD 3.46Å; L596-R607 PolarHBondContact O-NE 3.36Å; D597-R607 WeakPolarHBondContact OD1-CD 3.18Å; D597-R607 IonicContact OD1-CZ 3.31Å; D597-R607 IonicContact OD1-NE 3.56Å; D597-R607 PolarHBondContact OD1-NE 2.92Å; D597-R607 IonicContact OD1-NH1 2.68Å; D597-R607 PolarHBondContact OD1-NH1 3.49Å; N599-R607 PolarHBondContact O-NH2 3.47Å; L602-R607 HydrophobicContact CB-CG 4.04Å; L602-R607 PolarHBondContact O-NH2 2.93Å; S603-R607 PolarHBondContact O-N 3.19Å; R607-R609 PolarHBondContact O-N 2.84Å; R607-V610 PolarHBondContact O-N 3.41Å; R607-V610 VanDerWaalsContact O-N 3.11Å; R607-L611 WeakPolarHBondContact O-CG 3.32Å; R607-L611 PolarHBondContact O-N 2.92Å; R607-L611 VanDerWaalsContact O-N 3.1Å
608R78.4Confident71.9Confident137 Ų13794.3 Ų94.352%0.51747%0.467SS..Hα-helixtrans-56.3-48.9176.8-165.6-174.7-68114.21.5111.6A604 N605 V606 V610 L611 D612A604-R608 VanDerWaalsContact O-CB 3.29Å; A604-R608 WeakPolarHBondContact O-CB 3.42Å; A604-R608 PolarHBondContact O-N 3.41Å; N605-R608 PolarHBondContact OD1-NH1 2.77Å; V606-R608 PolarHBondContact O-N 2.89Å; R608-V610 VanDerWaalsContact C-N 3.25Å; R608-V610 PolarHBondContact O-N 2.96Å; R608-L611 PolarHBondContact O-N 3.35Å; R608-D612 WeakPolarHBondContact CG-OD2 3.49Å; R608-D612 VanDerWaalsContact O-CB 3.3Å; R608-D612 WeakPolarHBondContact O-CB 3.25Å; R608-D612 PolarHBondContact O-N 3.07Å
609R77.3Confident70.5Confident183 Ų18393.5 Ų93.569%0.69146%0.461SS*.Hα-helixtrans-60-27.4177.4-80.2175.8175.8-175.5-0.1114.8N605 V606 R607 R613N605-R609 WeakPolarHBondContact O-CB 3.41Å; N605-R609 WeakPolarHBondContact O-CD 3.43Å; N605-R609 VanDerWaalsContact O-CG 3.23Å; N605-R609 WeakPolarHBondContact O-CG 3.21Å; N605-R609 PolarHBondContact O-N 2.61Å; V606-R609 PolarHBondContact O-N 3.03Å; R607-R609 PolarHBondContact O-N 2.84Å; R609-R613 WeakPolarHBondContact O-CD 3.39Å; R609-R613 VanDerWaalsContact O-CG 3.25Å; R609-R613 WeakPolarHBondContact O-CG 3.45Å; R609-R613 PolarHBondContact O-N 2.83Å
610V74.6Confident68.9Low47 Ų4797 Ų9729%0.28548%0.48SS..Hα-helixtrans-76.5-46.1175.1175.20000110.5L592 L596 V606 R607 R608 R613 L614L592-V610 HydrophobicContact CD2-CG1 4.04Å; L596-V610 HydrophobicContact CD1-CB 3.99Å; L596-V610 HydrophobicContact CD1-CG1 3.83Å; V606-V610 WeakPolarHBondContact O-CG2 3.42Å; V606-V610 PolarHBondContact O-N 2.97Å; V606-V610 VanDerWaalsContact O-N 3.09Å; R607-V610 PolarHBondContact O-N 3.41Å; R607-V610 VanDerWaalsContact O-N 3.11Å; R608-V610 VanDerWaalsContact C-N 3.25Å; R608-V610 PolarHBondContact O-N 2.96Å; V610-R613 PolarHBondContact O-N 2.92Å; V610-L614 HydrophobicContact CG1-CD1 4.46Å; V610-L614 PolarHBondContact O-N 3.48Å
611L75.4Confident67.2Low23 Ų2397.1 Ų97.112%0.1248%0.483CS..Hα-helixtrans-67-41.1178.1-61.6173.7000112.3A589 L592 T593 L596 R607 R608 R613 L614 R615A589-L611 WeakPolarHBondContact O-CD2 3.36Å; L592-L611 HydrophobicContact CB-CD2 4.07Å; T593-L611 HydrophobicContact CG2-CD1 4.34Å; T593-L611 VanDerWaalsContact OG1-CD1 3.32Å; T593-L611 WeakPolarHBondContact OG1-CD1 3.32Å; T593-L611 WeakPolarHBondContact OG1-CD2 3.45Å; L596-L611 HydrophobicContact CD1-CD2 4.1Å; L596-L611 HydrophobicContact CD1-CG 4.17Å; R607-L611 WeakPolarHBondContact O-CG 3.32Å; R607-L611 PolarHBondContact O-N 2.92Å; R607-L611 VanDerWaalsContact O-N 3.1Å; R608-L611 PolarHBondContact O-N 3.35Å; L611-R613 VanDerWaalsContact C-N 3.25Å; L611-R613 PolarHBondContact O-N 3.37Å; L611-L614 PolarHBondContact O-N 3.06Å; L611-R615 PolarHBondContact O-N 3.01Å
612D75.2Confident66.7Low73 Ų7390.1 Ų90.139%0.3946%0.463SS..Hα-helixtrans-57.8-38.9173-66.5-15.5000110.7R608 R615 M616R608-D612 WeakPolarHBondContact CG-OD2 3.49Å; R608-D612 VanDerWaalsContact O-CB 3.3Å; R608-D612 WeakPolarHBondContact O-CB 3.25Å; R608-D612 PolarHBondContact O-N 3.07Å; D612-R615 PolarHBondContact O-N 2.96Å; D612-M616 VanDerWaalsContact O-CB 3.25Å; D612-M616 WeakPolarHBondContact O-CB 3.46Å; D612-M616 WeakPolarHBondContact O-CG 3.23Å; D612-M616 PolarHBondContact O-N 2.92Å
613R71.8Confident66.2Low193 Ų19392.1 Ų92.173%0.72847%0.473SS*.Hα-helixtrans-67.9-39.3177.3-81.6174.2172.9-164.5-3.5113.1R609 V610 L611 N617R609-R613 WeakPolarHBondContact O-CD 3.39Å; R609-R613 VanDerWaalsContact O-CG 3.25Å; R609-R613 WeakPolarHBondContact O-CG 3.45Å; R609-R613 PolarHBondContact O-N 2.83Å; V610-R613 PolarHBondContact O-N 2.92Å; L611-R613 VanDerWaalsContact C-N 3.25Å; L611-R613 PolarHBondContact O-N 3.37Å; R613-N617 PolarHBondContact O-N 2.96Å
614L67.2Low65.5Low41 Ų4193.4 Ų93.422%0.21547%0.472CS..Hα-helixtrans-61.9-45.3172.4-95.190.4000111.3L588 L592 V610 L611L588-L614 HydrophobicContact CB-CD2 3.88Å; L592-L614 HydrophobicContact CD1-CD1 3.99Å; L592-L614 HydrophobicContact CD1-CD2 3.65Å; L592-L614 HydrophobicContact CD1-CG 4.48Å; V610-L614 HydrophobicContact CG1-CD1 4.46Å; V610-L614 PolarHBondContact O-N 3.48Å; L611-L614 PolarHBondContact O-N 3.06Å
615R67.9Low64.8Low104 Ų10495.4 Ų95.439%0.39247%0.471SS..Hα-helixtrans-72.7-38.4-178-74.5-175.4169.8133.90.1113.3E586 L611 D612 N617 S618 S619E586-R615 IonicContact OE1-CZ 2.7Å; E586-R615 IonicContact OE1-NE 3.81Å; E586-R615 PolarHBondContact OE1-NE 2.89Å; E586-R615 IonicContact OE1-NH2 2.74Å; E586-R615 PolarHBondContact OE1-NH2 3.11Å; E586-R615 IonicContact OE2-CZ 3.74Å; E586-R615 IonicContact OE2-NE 3.84Å; E586-R615 IonicContact OE2-NH2 2.83Å; E586-R615 PolarHBondContact OE2-NH2 3.48Å; L611-R615 PolarHBondContact O-N 3.01Å; D612-R615 PolarHBondContact O-N 2.96Å; R615-N617 VanDerWaalsContact C-N 3.33Å; R615-N617 PolarHBondContact O-N 3.11Å; R615-S618 WeakPolarHBondContact O-CA 3.39Å; R615-S618 WeakPolarHBondContact O-CB 3.27Å; R615-S618 PolarHBondContact O-N 2.99Å; R615-S618 PolarHBondContact O-OG 2.9Å; R615-S619 PolarHBondContact O-N 3.18Å
616M57.6Low63.9Low112 Ų11294.8 Ų94.855%0.55247%0.465SS*.Hα-helixtrans-63.2-37.6178.6-72.7-73.6147.300112.3D612 S618 S619 D620D612-M616 VanDerWaalsContact O-CB 3.25Å; D612-M616 WeakPolarHBondContact O-CB 3.46Å; D612-M616 WeakPolarHBondContact O-CG 3.23Å; D612-M616 PolarHBondContact O-N 2.92Å; M616-S618 PolarHBondContact O-N 2.78Å; M616-S619 WeakPolarHBondContact CA-OG 3.39Å; M616-S619 PolarHBondContact O-N 3.1Å; M616-S619 PolarHBondContact O-OG 3.26Å; M616-D620 PolarHBondContact O-N 2.74Å
617N53.3Low63Low135 Ų13596.7 Ų96.772%0.72247%0.47SS*.Hα-helixtrans-61-12.6171.3-77.87.6000113.8R613 R615R613-N617 PolarHBondContact O-N 2.96Å; R615-N617 VanDerWaalsContact C-N 3.33Å; R615-N617 PolarHBondContact O-N 3.11Å
618S49Very low61.9Low21 Ų21100.3 Ų100.315%0.14749%0.491CS..Hα-helixtrans-105.3-10.7173.873.60000114.8R615 M616 S621R615-S618 WeakPolarHBondContact O-CA 3.39Å; R615-S618 WeakPolarHBondContact O-CB 3.27Å; R615-S618 PolarHBondContact O-N 2.99Å; R615-S618 PolarHBondContact O-OG 2.9Å; M616-S618 PolarHBondContact O-N 2.78Å; S618-S621 WeakPolarHBondContact O-CB 3.24Å; S618-S621 PolarHBondContact O-OG 2.93Å; S618-S621 VanDerWaalsContact O-OG 3.07Å
619S42.3Very low60.7Low77 Ų7797.5 Ų97.554%0.53849%0.489SS..Hα-helixtrans-95.9-22.5175.856.20000114R615 M616 S621R615-S619 PolarHBondContact O-N 3.18Å; M616-S619 WeakPolarHBondContact CA-OG 3.39Å; M616-S619 PolarHBondContact O-N 3.1Å; M616-S619 PolarHBondContact O-OG 3.26Å; S619-S621 PolarHBondContact O-N 2.87Å; S619-S621 VanDerWaalsContact O-N 3.16Å
620D40.4Very low59.3Low139 Ų13990.3 Ų90.374%0.74347%0.472SS*.  trans-83.841.9166.4-70.5-26.3000111.4K536 M616K536-D620 PolarHBondContact NZ-O 3.24Å; M616-D620 PolarHBondContact O-N 2.74Å
621S36.8Very low57.9Low119 Ų11994.3 Ų94.383%0.83249%0.489SS*.  trans-99.20-171.4-77.20000114.8K536 S618 S619K536-S621 PolarHBondContact NZ-OXT 3.23Å; S618-S621 WeakPolarHBondContact O-CB 3.24Å; S618-S621 PolarHBondContact O-OG 2.93Å; S618-S621 VanDerWaalsContact O-OG 3.07Å; S619-S621 PolarHBondContact O-N 2.87Å; S619-S621 VanDerWaalsContact O-N 3.16Å

Retrieved 621 of 621 residues in 172.8 ms (Link to these results)

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