A0A5K4FF39_SCHMA Loading...

Ubiquitin-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FF39, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 403 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
1M45.1Very low76.5Confident106 Ų10667.3 Ų67.352%0.52235%0.347SS..  0141.40-85.1150.2-178.100105.9D3 Q229M1-D3 PolarHBondContact O-N 3.5Å; M1-Q229 WeakPolarHBondContact SD-CA 3.42Å
2V52.3Low77Confident119 Ų11962.1 Ų62.172%0.72132%0.321SS*.  trans-85.9108.4169.9-179.30000106.5K4V2-K4 PolarHBondContact O-N 2.82Å; V2-K4 VanDerWaalsContact O-N 3.13Å
3D61.6Low77.1Confident77 Ų7763.9 Ų63.941%0.41234%0.339SS..  trans-61.2116.7176.7-71.3-56.6000109.9M1 G5 L25M1-D3 PolarHBondContact O-N 3.5Å; D3-G5 PolarHBondContact O-N 3.16Å; D3-L25 HydrophobicContact CB-CD2 4.26Å
4K69.4Low76.4Confident138 Ų13865 Ų6560%0.635%0.345SS*.  trans-7294.6179.6-170.2177.2179.3-176.50108.7V2 F6 S26V2-K4 PolarHBondContact O-N 2.82Å; V2-K4 VanDerWaalsContact O-N 3.13Å; K4-F6 HydrophobicContact CB-CE2 4.42Å; K4-F6 HydrophobicContact CD-CE1 4.34Å; K4-F6 HydrophobicContact CD-CE2 4.49Å; K4-F6 HydrophobicContact CD-CZ 3.94Å; K4-F6 HydrophobicContact CG-CE2 4.33Å; K4-F6 HydrophobicContact CG-CZ 4.22Å; K4-F6 WeakPolarHBondContact O-CD2 3.24Å; K4-F6 WeakPolarHBondContact O-CE2 3.3Å; K4-F6 PolarHBondContact O-N 3.11Å; K4-S26 PolarHBondContact O-N 3.3Å
5G80.4Confident75.8Confident37 Ų3768.7 Ų68.738%0.38137%0.365SS..PPolyproline II helixtrans-66.7125.117500000111.4D3 Q23 C24D3-G5 PolarHBondContact O-N 3.16Å; G5-Q23 PolarHBondContact O-NE2 2.9Å; G5-C24 CarbonylContact C-O 3.53Å; G5-C24 VanDerWaalsContact CA-O 3.3Å; G5-C24 WeakPolarHBondContact CA-O 3.49Å
6F84Confident75.4Confident25 Ų2572.2 Ų72.211%0.1138%0.376CS..EExtended strand (participates in β ladder)trans-101.8139.7172.8-63.5-88.3000110.5K4 Q23 C24 S66 C69 T70K4-F6 HydrophobicContact CB-CE2 4.42Å; K4-F6 HydrophobicContact CD-CE1 4.34Å; K4-F6 HydrophobicContact CD-CE2 4.49Å; K4-F6 HydrophobicContact CD-CZ 3.94Å; K4-F6 HydrophobicContact CG-CE2 4.33Å; K4-F6 HydrophobicContact CG-CZ 4.22Å; K4-F6 WeakPolarHBondContact O-CD2 3.24Å; K4-F6 WeakPolarHBondContact O-CE2 3.3Å; K4-F6 PolarHBondContact O-N 3.11Å; F6-Q23 CarbonylContact O-C 3.56Å; F6-Q23 PolarHBondContact O-NE2 3.08Å; F6-C24 PolarHBondContact N-O 3.26Å; F6-C24 PolarHBondContact O-N 2.82Å; F6-S66 VanDerWaalsContact CE2-CB 3.44Å; F6-C69 HydrophobicContact CB-CB 3.76Å; F6-C69 VanDerWaalsContact CB-SG 3.57Å; F6-C69 HydrophobicContact CD1-CB 3.3Å; F6-C69 HydrophobicContact CE1-CB 3.97Å; F6-C69 HydrophobicContact CG-CB 3.67Å; F6-T70 HydrophobicContact CE1-CG2 4.25Å; F6-T70 HydrophobicContact CZ-CG2 4.49Å
7K87.7Confident75.3Confident114 Ų11469.8 Ų69.850%0.49636%0.363SS..EExtended strand (participates in β ladder)trans-96.9129.5177.3-70.9-175.3177.9-179.90110.2T21 V22 Q23 L75 P76K7-T21 HydrophobicContact CB-CG2 4.5Å; K7-V22 WeakPolarHBondContact CA-O 2.97Å; K7-Q23 VanDerWaalsContact CG-OE1 3.28Å; K7-L75 HydrophobicContact CB-CD1 4.48Å; K7-L75 HydrophobicContact CB-CD2 4.11Å; K7-L75 HydrophobicContact CB-CG 4.05Å; K7-P76 WeakPolarHBondContact O-CD 3.43Å
8V89.3Confident75.3Confident0 Ų071.9 Ų71.90%038%0.382CS..EExtended strand (participates in β ladder)trans-128.2135-178-173.30000109.2I10 T21 V22 C24 I65 P76 I78V8-I10 HydrophobicContact CG1-CD1 3.81Å; V8-T21 CarbonylContact O-C 3.56Å; V8-T21 WeakPolarHBondContact O-CA 3.22Å; V8-V22 PolarHBondContact N-O 2.89Å; V8-V22 PolarHBondContact O-N 2.97Å; V8-C24 HydrophobicContact CG2-CB 4.42Å; V8-I65 HydrophobicContact CG2-CG2 3.94Å; V8-P76 HydrophobicContact CG1-CG 4.44Å; V8-P76 HydrophobicContact CG2-CG 4.19Å; V8-I78 HydrophobicContact CG1-CB 4.34Å; V8-I78 HydrophobicContact CG1-CD1 3.6Å; V8-I78 HydrophobicContact CG1-CG1 3.68Å
9I90.7Very high75.7Confident36 Ų3671.6 Ų71.619%0.18539%0.386CS..EExtended strand (participates in β ladder)trans-94.4120.4175.4-59173.9000108.6K11 L75 P76 T77 I78I9-K11 HydrophobicContact CG2-CG 4.18Å; I9-L75 HydrophobicContact CD1-CB 3.83Å; I9-L75 HydrophobicContact CD1-CD2 3.98Å; I9-L75 HydrophobicContact CG1-CB 4.08Å; I9-L75 HydrophobicContact CG1-CD2 3.93Å; I9-P76 PolarHBondContact N-O 2.93Å; I9-T77 CarbonylContact O-C 3.58Å; I9-T77 WeakPolarHBondContact O-CA 3.4Å; I9-I78 PolarHBondContact O-N 3.45Å
10I91.2Very high76.2Confident4 Ų470.8 Ų70.82%0.02138%0.381CS..EExtended strand (participates in β ladder)trans-100.1118.4177.4-49.7-59.7000109V8 S19 L20 V22 L33 L37 I78 L80V8-I10 HydrophobicContact CG1-CD1 3.81Å; I10-S19 CarbonylContact O-C 3.59Å; I10-S19 VanDerWaalsContact O-CA 3.27Å; I10-S19 WeakPolarHBondContact O-CA 3.24Å; I10-L20 HydrophobicContact CB-CB 4.38Å; I10-L20 WeakPolarHBondContact CB-O 3.36Å; I10-L20 PolarHBondContact N-O 3.42Å; I10-L20 PolarHBondContact O-N 3.4Å; I10-V22 HydrophobicContact CG1-CB 4.43Å; I10-V22 HydrophobicContact CG1-CG2 3.69Å; I10-L33 HydrophobicContact CD1-CD1 4.42Å; I10-L33 HydrophobicContact CD1-CD2 4.21Å; I10-L37 HydrophobicContact CB-CD2 4.49Å; I10-L37 HydrophobicContact CD1-CD1 4.44Å; I10-L37 HydrophobicContact CG1-CD1 4.47Å; I10-L37 HydrophobicContact CG1-CD2 4.23Å; I10-L37 HydrophobicContact CG2-CD1 4.17Å; I10-L37 HydrophobicContact CG2-CD2 4.04Å; I10-I78 CarbonylContact C-O 3.5Å; I10-I78 WeakPolarHBondContact CA-O 3.39Å; I10-I78 HydrophobicContact CD1-CB 3.94Å; I10-L80 HydrophobicContact CG2-CB 3.64Å; I10-L80 HydrophobicContact CG2-CD2 4.02Å; I10-L80 HydrophobicContact CG2-CG 4.46Å
11K89.4Confident76.8Confident84 Ų8471.1 Ų71.137%0.36539%0.386SS..EExtended strand (participates in β ladder)trans-110.3134.1177.9-67.2-169-179.9-173.50111.3I9 T77 I78 H79 L80I9-K11 HydrophobicContact CG2-CG 4.18Å; K11-T77 HydrophobicContact CD-CG2 3.72Å; K11-T77 HydrophobicContact CG-CG2 3.89Å; K11-I78 PolarHBondContact N-O 2.88Å; K11-H79 CarbonylContact O-C 3.56Å; K11-H79 VanDerWaalsContact O-CA 3.3Å; K11-H79 WeakPolarHBondContact O-CA 3.5Å; K11-L80 PolarHBondContact O-N 3.4Å
12S83.6Confident78.8Confident5 Ų566.2 Ų66.24%0.03536%0.362CS..  trans-83144.5169.9-72.20000110.3N14 H41S12-N14 PolarHBondContact O-N 3.34Å; S12-N14 VanDerWaalsContact O-N 3.09Å; S12-H41 PolarHBondContact OG-NE2 3.28Å
13P77.3Confident80.5Confident86 Ų8665 Ų6556%0.55835%0.349SS*.SBendtrans-62.2-10.4171.1-25.733.8000115.1L80 V81P13-L80 WeakPolarHBondContact CD-O 3.32Å; P13-V81 HydrophobicContact CG-CB 4.29Å; P13-V81 HydrophobicContact CG-CG1 4.34Å; P13-V81 HydrophobicContact CG-CG2 3.82Å
14N68.1Low81.7Confident79 Ų7961.4 Ų61.442%0.42233%0.329SS..SBendtrans-115.896.5179.7-1719000106.2S12 K16 I17S12-N14 PolarHBondContact O-N 3.34Å; S12-N14 VanDerWaalsContact O-N 3.09Å; N14-K16 PolarHBondContact O-N 3.06Å; N14-K16 VanDerWaalsContact OD1-CD 3.31Å; N14-K16 WeakPolarHBondContact OD1-CD 3.31Å; N14-K16 WeakPolarHBondContact OD1-CE 3.35Å; N14-K16 WeakPolarHBondContact OD1-CG 3.45Å; N14-I17 PolarHBondContact O-N 3.34Å; N14-I17 VanDerWaalsContact O-N 3.08Å
15D67.4Low82.5Confident120 Ų12058 Ų5864%0.64232%0.317SS*.THydrogen-bonded Turntrans-60.5-0.7-173.2-74.5-43.7000114.5I17 Y145D15-I17 PolarHBondContact O-N 2.87Å; D15-Y145 HydrophobicContact CB-CE2 4.35Å
16K68.7Low82.6Confident125 Ų12558.4 Ų58.454%0.54331%0.314SS..THydrogen-bonded Turntrans-54.2-26.6161.8-65.8178.8-168.9-80.80113.8N14 Y146N14-K16 PolarHBondContact O-N 3.06Å; N14-K16 VanDerWaalsContact OD1-CD 3.31Å; N14-K16 WeakPolarHBondContact OD1-CD 3.31Å; N14-K16 WeakPolarHBondContact OD1-CE 3.35Å; N14-K16 WeakPolarHBondContact OD1-CG 3.45Å; K16-Y146 WeakPolarHBondContact CE-OH 3.28Å; K16-Y146 VanDerWaalsContact CG-OH 3.3Å; K16-Y146 WeakPolarHBondContact CG-OH 3.09Å; K16-Y146 PolarHBondContact NZ-OH 3.45Å
17I73.5Confident82.7Confident31 Ų3161.3 Ų61.316%0.15933%0.331CS..SBendtrans-105.4120.2-178.2-58.6178.6000108.8N14 D15 P42 A43 Y82N14-I17 PolarHBondContact O-N 3.34Å; N14-I17 VanDerWaalsContact O-N 3.08Å; D15-I17 PolarHBondContact O-N 2.87Å; I17-P42 HydrophobicContact CG2-CG 3.83Å; I17-A43 HydrophobicContact CD1-CB 4.27Å; I17-Y82 WeakPolarHBondContact CD1-OH 3.13Å
18P76.4Confident82.9Confident108 Ų10857.9 Ų57.970%0.70132%0.315SS*.PPolyproline II helixtrans-63.5148.9-177.827.4-35.3000111.5L20P18-L20 PolarHBondContact O-N 2.87Å
19S82.9Confident83Confident67 Ų6760.9 Ų60.947%0.46933%0.33SS..PPolyproline II helixtrans-66.4120-179.258.60000111.7I10I10-S19 CarbonylContact O-C 3.59Å; I10-S19 VanDerWaalsContact O-CA 3.27Å; I10-S19 WeakPolarHBondContact O-CA 3.24Å
20L85.3Confident83.1Confident54 Ų5459.1 Ų59.128%0.28332%0.322SS..EExtended strand (participates in β ladder)trans-88.5118.4-177.9178.265.3000110.2I10 P18 V22 L37I10-L20 HydrophobicContact CB-CB 4.38Å; I10-L20 WeakPolarHBondContact CB-O 3.36Å; I10-L20 PolarHBondContact N-O 3.42Å; I10-L20 PolarHBondContact O-N 3.4Å; P18-L20 PolarHBondContact O-N 2.87Å; L20-V22 HydrophobicContact CD2-CG2 3.96Å; L20-V22 HydrophobicContact CG-CG2 3.9Å; L20-L37 HydrophobicContact CD2-CD2 3.97Å
21T88.3Confident83.1Confident79 Ų7960.9 Ų60.949%0.48533%0.334SS..EExtended strand (participates in β ladder)trans-86.2112.6172.5-57.90000109.8K7 V8 L75K7-T21 HydrophobicContact CB-CG2 4.5Å; V8-T21 CarbonylContact O-C 3.56Å; V8-T21 WeakPolarHBondContact O-CA 3.22Å; T21-L75 HydrophobicContact CG2-CD2 4.43Å
22V87.7Confident83.2Confident2 Ų260.1 Ų60.11%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-100.4139.3-179.3-1770000110.2K7 V8 I10 L20 W28 L33 Y36 L37K7-V22 WeakPolarHBondContact CA-O 2.97Å; V8-V22 PolarHBondContact N-O 2.89Å; V8-V22 PolarHBondContact O-N 2.97Å; I10-V22 HydrophobicContact CG1-CB 4.43Å; I10-V22 HydrophobicContact CG1-CG2 3.69Å; L20-V22 HydrophobicContact CD2-CG2 3.96Å; L20-V22 HydrophobicContact CG-CG2 3.9Å; V22-W28 HydrophobicContact CG1-CH2 4.27Å; V22-W28 HydrophobicContact CG1-CZ3 3.82Å; V22-L33 HydrophobicContact CG1-CD1 4.07Å; V22-Y36 HydrophobicContact CB-CE1 4.33Å; V22-Y36 HydrophobicContact CG1-CD1 3.74Å; V22-Y36 HydrophobicContact CG1-CE1 3.53Å; V22-Y36 HydrophobicContact CG2-CD1 4.27Å; V22-Y36 HydrophobicContact CG2-CE1 3.86Å; V22-L37 HydrophobicContact CG2-CD2 4.49Å
23Q87.9Confident83.6Confident95 Ų9559.9 Ų59.944%0.44433%0.332SS..EExtended strand (participates in β ladder)trans-99.585.6175.1-174.2678400109.1G5 F6 K7G5-Q23 PolarHBondContact O-NE2 2.9Å; F6-Q23 CarbonylContact O-C 3.56Å; F6-Q23 PolarHBondContact O-NE2 3.08Å; K7-Q23 VanDerWaalsContact CG-OE1 3.28Å
24C87.1Confident84.3Confident0 Ų056.5 Ų56.50%031%0.309CS..EExtended strand (participates in β ladder)trans-73.3147.4-179.4-55.10000111.3G5 F6 V8 W28 I65G5-C24 CarbonylContact C-O 3.53Å; G5-C24 VanDerWaalsContact CA-O 3.3Å; G5-C24 WeakPolarHBondContact CA-O 3.49Å; F6-C24 PolarHBondContact N-O 3.26Å; F6-C24 PolarHBondContact O-N 2.82Å; V8-C24 HydrophobicContact CG2-CB 4.42Å; C24-W28 HydrophobicContact CB-CD2 4.16Å; C24-W28 HydrophobicContact CB-CE3 3.55Å; C24-W28 HydrophobicContact CB-CZ3 4.02Å; C24-I65 HydrophobicContact CB-CG2 3.93Å
25L86.5Confident85.4Confident67 Ų6758.5 Ų58.535%0.35131%0.314SS..  trans-82.9159.5170.8-59.2178.3000111.2D3 N27 W28D3-L25 HydrophobicContact CB-CD2 4.26Å; L25-N27 WeakPolarHBondContact CB-OD1 3.46Å; L25-N27 PolarHBondContact O-N 3.08Å; L25-W28 HydrophobicContact CB-CG 4.23Å; L25-W28 PolarHBondContact O-N 2.93Å
26S82.6Confident86.6Confident45 Ų4556 Ų5632%0.31530%0.296SS..THydrogen-bonded Turntrans-64.9-20.2-177.8-169.10000114.3K4 S66K4-S26 PolarHBondContact O-N 3.3Å; S26-S66 WeakPolarHBondContact O-CB 3.17Å; S26-S66 PolarHBondContact O-OG 3.07Å
27N86Confident87.6Confident87 Ų8750 Ų5047%0.46527%0.27SS..THydrogen-bonded Turntrans-94.6-6.2179.860.1-1.5000113.6L25 L29L25-N27 WeakPolarHBondContact CB-OD1 3.46Å; L25-N27 PolarHBondContact O-N 3.08Å; N27-L29 PolarHBondContact O-N 2.89Å
28W90.2Very high88.3Confident41 Ų4150 Ų5016%0.15527%0.273CS..  trans-65.8132.4-178.1-8013.1000112.4V22 C24 L25 D32 L33 Y36 I65V22-W28 HydrophobicContact CG1-CH2 4.27Å; V22-W28 HydrophobicContact CG1-CZ3 3.82Å; C24-W28 HydrophobicContact CB-CD2 4.16Å; C24-W28 HydrophobicContact CB-CE3 3.55Å; C24-W28 HydrophobicContact CB-CZ3 4.02Å; L25-W28 HydrophobicContact CB-CG 4.23Å; L25-W28 PolarHBondContact O-N 2.93Å; W28-D32 HydrophobicContact CB-CB 4.17Å; W28-D32 HydrophobicContact CD2-CB 4.27Å; W28-D32 HydrophobicContact CG-CB 3.96Å; W28-L33 HydrophobicContact CE3-CB 4.34Å; W28-L33 HydrophobicContact CE3-CD1 4.35Å; W28-L33 HydrophobicContact CZ3-CD1 4.05Å; W28-Y36 HydrophobicContact CH2-CD1 4.33Å; W28-Y36 AromaticContact CH2-CD2 3.68Å; W28-Y36 HydrophobicContact CH2-CD2 3.68Å; W28-Y36 HydrophobicContact CH2-CE2 4.27Å; W28-Y36 AromaticContact CH2-CG 3.71Å; W28-Y36 HydrophobicContact CH2-CG 3.71Å; W28-Y36 HydrophobicContact CZ2-CD2 4.38Å; W28-Y36 HydrophobicContact CZ3-CD1 4.47Å; W28-Y36 HydrophobicContact CZ3-CG 4.13Å; W28-I65 HydrophobicContact CB-CB 4.48Å; W28-I65 HydrophobicContact CB-CG1 4.32Å; W28-I65 PolarHBondContact O-N 2.83Å
29L92.4Very high88.8Confident63 Ų6350.1 Ų50.133%0.3326%0.264SS..BIsolated β-bridgetrans-89.9169.5163.5-57.4-179.3000110.3N27 S31 D32 L33 T63N27-L29 PolarHBondContact O-N 2.89Å; L29-S31 WeakPolarHBondContact CB-OG 3.27Å; L29-S31 PolarHBondContact O-N 3.27Å; L29-D32 PolarHBondContact N-OD2 3.32Å; L29-D32 PolarHBondContact O-N 2.83Å; L29-L33 PolarHBondContact O-N 3.01Å; L29-L33 VanDerWaalsContact O-N 3.14Å; L29-T63 CarbonylContact C-O 3.52Å
30A92Very high88.9Confident0 Ų051.7 Ų51.70%026%0.264CS..Hα-helixtrans-62.2-28.1173.600000112.4L33 K34 L52 L59 K60 T63 I65A30-L33 PolarHBondContact O-N 2.81Å; A30-K34 WeakPolarHBondContact O-CG 3.43Å; A30-K34 PolarHBondContact O-N 2.92Å; A30-L52 HydrophobicContact CB-CD1 4.33Å; A30-L59 HydrophobicContact CB-CB 4.34Å; A30-K60 VanDerWaalsContact CB-O 3.22Å; A30-K60 WeakPolarHBondContact CB-O 3.37Å; A30-T63 PolarHBondContact N-O 2.93Å; A30-I65 HydrophobicContact CB-CD1 4.33Å
31S91.8Very high88.7Confident40 Ų4049.4 Ų49.428%0.2825%0.251SS..Hα-helixtrans-62-45.6170.952.50000112.9L29 K34 K35 D61L29-S31 WeakPolarHBondContact CB-OG 3.27Å; L29-S31 PolarHBondContact O-N 3.27Å; S31-K34 PolarHBondContact O-N 3.29Å; S31-K35 PolarHBondContact O-N 2.99Å; S31-D61 PolarHBondContact N-O 2.83Å; S31-D61 PolarHBondContact OG-O 2.8Å
32D92.2Very high88.3Confident68 Ų6850.4 Ų50.436%0.36426%0.259SS..Hα-helixtrans-62.3-44176.2-59.2-58.5000111W28 L29 K35 Y36W28-D32 HydrophobicContact CB-CB 4.17Å; W28-D32 HydrophobicContact CD2-CB 4.27Å; W28-D32 HydrophobicContact CG-CB 3.96Å; L29-D32 PolarHBondContact N-OD2 3.32Å; L29-D32 PolarHBondContact O-N 2.83Å; D32-K35 PolarHBondContact O-N 2.92Å; D32-Y36 WeakPolarHBondContact O-CB 3.4Å; D32-Y36 PolarHBondContact O-N 3.48Å
33L91.2Very high87.8Confident0 Ų051.7 Ų51.70%027%0.27CS..Hα-helixtrans-63.6-40.5176.1-179.656.4000111.8I10 V22 W28 L29 A30 Y36 L37 L52 I65 I78I10-L33 HydrophobicContact CD1-CD1 4.42Å; I10-L33 HydrophobicContact CD1-CD2 4.21Å; V22-L33 HydrophobicContact CG1-CD1 4.07Å; W28-L33 HydrophobicContact CE3-CB 4.34Å; W28-L33 HydrophobicContact CE3-CD1 4.35Å; W28-L33 HydrophobicContact CZ3-CD1 4.05Å; L29-L33 PolarHBondContact O-N 3.01Å; L29-L33 VanDerWaalsContact O-N 3.14Å; A30-L33 PolarHBondContact O-N 2.81Å; L33-Y36 PolarHBondContact O-N 2.98Å; L33-L37 HydrophobicContact CD1-CD1 3.99Å; L33-L37 HydrophobicContact CD1-CG 4.23Å; L33-L37 HydrophobicContact CG-CD1 3.95Å; L33-L37 WeakPolarHBondContact O-CB 3.26Å; L33-L37 WeakPolarHBondContact O-CD1 3.42Å; L33-L37 VanDerWaalsContact O-CG 3.23Å; L33-L37 WeakPolarHBondContact O-CG 3.44Å; L33-L37 PolarHBondContact O-N 3.42Å; L33-L52 HydrophobicContact CB-CD1 4.29Å; L33-L52 HydrophobicContact CD2-CD1 3.97Å; L33-L52 HydrophobicContact CG-CD1 4.03Å; L33-I65 HydrophobicContact CB-CD1 4.35Å; L33-I65 HydrophobicContact CB-CG1 4.33Å; L33-I65 HydrophobicContact CD2-CD1 3.68Å; L33-I65 HydrophobicContact CD2-CG1 4.2Å; L33-I78 HydrophobicContact CD2-CD1 3.91Å
34K92.6Very high87.6Confident16 Ų1653.9 Ų53.97%0.0728%0.28CS..Hα-helixtrans-62.2-42.6172.6-75.8178.1179-177.80111.9A30 S31 L37 S38 V47 Q50 L52 D61A30-K34 WeakPolarHBondContact O-CG 3.43Å; A30-K34 PolarHBondContact O-N 2.92Å; S31-K34 PolarHBondContact O-N 3.29Å; K34-L37 PolarHBondContact O-N 3.49Å; K34-S38 PolarHBondContact O-N 3.5Å; K34-V47 HydrophobicContact CB-CG1 3.98Å; K34-V47 HydrophobicContact CD-CG1 4.32Å; K34-Q50 VanDerWaalsContact CA-OE1 3.27Å; K34-Q50 HydrophobicContact CD-CB 4.22Å; K34-Q50 WeakPolarHBondContact CE-O 3.43Å; K34-Q50 HydrophobicContact CG-CB 4.04Å; K34-Q50 PolarHBondContact NZ-O 2.86Å; K34-Q50 PolarHBondContact O-NE2 3Å; K34-Q50 PolarHBondContact O-OE1 3.38Å; K34-L52 HydrophobicContact CG-CD1 3.79Å; K34-L52 HydrophobicContact CG-CG 4.05Å; K34-D61 VanDerWaalsContact CD-OD1 3.28Å; K34-D61 WeakPolarHBondContact CD-OD1 3.28Å; K34-D61 WeakPolarHBondContact CE-OD1 3.3Å; K34-D61 IonicContact NZ-OD1 2.76Å; K34-D61 PolarHBondContact NZ-OD1 2.84Å; K34-D61 IonicContact NZ-OD2 3.79Å; K34-D61 PolarHBondContact NZ-OD2 2.91Å
35K91.6Very high87.4Confident121 Ų12154.1 Ų54.153%0.52628%0.282SS..Hα-helixtrans-61.7-49.6176.6-174.8-179.2173.3-1770111S31 D32 L37 S38 E39 V47S31-K35 PolarHBondContact O-N 2.99Å; D32-K35 PolarHBondContact O-N 2.92Å; K35-L37 VanDerWaalsContact C-N 3.27Å; K35-L37 PolarHBondContact O-N 3.02Å; K35-S38 WeakPolarHBondContact O-CB 3.49Å; K35-S38 PolarHBondContact O-N 3.43Å; K35-E39 WeakPolarHBondContact CE-OE1 3.45Å; K35-E39 PolarHBondContact O-N 3.11Å; K35-V47 HydrophobicContact CB-CG2 4.47Å
36Y91.1Very high87.3Confident67 Ų6754.4 Ų54.426%0.26329%0.289SS..Hα-helixtrans-53.4-45.1175-178.8-92.8000111.7V22 W28 D32 L33 E39 H40V22-Y36 HydrophobicContact CB-CE1 4.33Å; V22-Y36 HydrophobicContact CG1-CD1 3.74Å; V22-Y36 HydrophobicContact CG1-CE1 3.53Å; V22-Y36 HydrophobicContact CG2-CD1 4.27Å; V22-Y36 HydrophobicContact CG2-CE1 3.86Å; W28-Y36 HydrophobicContact CH2-CD1 4.33Å; W28-Y36 AromaticContact CH2-CD2 3.68Å; W28-Y36 HydrophobicContact CH2-CD2 3.68Å; W28-Y36 HydrophobicContact CH2-CE2 4.27Å; W28-Y36 AromaticContact CH2-CG 3.71Å; W28-Y36 HydrophobicContact CH2-CG 3.71Å; W28-Y36 HydrophobicContact CZ2-CD2 4.38Å; W28-Y36 HydrophobicContact CZ3-CD1 4.47Å; W28-Y36 HydrophobicContact CZ3-CG 4.13Å; D32-Y36 WeakPolarHBondContact O-CB 3.4Å; D32-Y36 PolarHBondContact O-N 3.48Å; L33-Y36 PolarHBondContact O-N 2.98Å; Y36-E39 PolarHBondContact O-N 3.38Å; Y36-H40 HydrophobicContact CD1-CB 4.38Å; Y36-H40 AromaticContact CD2-CE1 3.61Å; Y36-H40 AromaticContact CD2-ND1 3.49Å; Y36-H40 WeakPolarHBondContact CD2-ND1 3.36Å; Y36-H40 HydrophobicContact CE1-CB 3.93Å; Y36-H40 AromaticContact CE1-CG 3.99Å; Y36-H40 AromaticContact CE2-CD2 3.76Å; Y36-H40 AromaticContact CE2-CE1 3.43Å; Y36-H40 VanDerWaalsContact CE2-CE1 3.43Å; Y36-H40 WeakPolarHBondContact CE2-CE1 3.35Å; Y36-H40 AromaticContact CE2-CG 3.69Å; Y36-H40 AromaticContact CE2-ND1 3.46Å; Y36-H40 WeakPolarHBondContact CE2-ND1 3.49Å; Y36-H40 AromaticContact CE2-NE2 3.59Å; Y36-H40 AromaticContact CG-ND1 3.92Å; Y36-H40 AromaticContact CZ-CD2 3.75Å; Y36-H40 AromaticContact CZ-CG 3.6Å; Y36-H40 AromaticContact CZ-ND1 3.84Å; Y36-H40 WeakPolarHBondContact O-CB 3.19Å; Y36-H40 PolarHBondContact O-N 3.3Å; Y36-H40 PolarHBondContact O-ND1 2.92Å
37L89.8Confident87.6Confident0 Ų054.8 Ų54.80%029%0.289CS..Hα-helixtrans-68.9-29.7177-71.2165.9000113.6I10 L20 V22 L33 K34 K35 E39 H41 L52 L80I10-L37 HydrophobicContact CB-CD2 4.49Å; I10-L37 HydrophobicContact CD1-CD1 4.44Å; I10-L37 HydrophobicContact CG1-CD1 4.47Å; I10-L37 HydrophobicContact CG1-CD2 4.23Å; I10-L37 HydrophobicContact CG2-CD1 4.17Å; I10-L37 HydrophobicContact CG2-CD2 4.04Å; L20-L37 HydrophobicContact CD2-CD2 3.97Å; V22-L37 HydrophobicContact CG2-CD2 4.49Å; L33-L37 HydrophobicContact CD1-CD1 3.99Å; L33-L37 HydrophobicContact CD1-CG 4.23Å; L33-L37 HydrophobicContact CG-CD1 3.95Å; L33-L37 WeakPolarHBondContact O-CB 3.26Å; L33-L37 WeakPolarHBondContact O-CD1 3.42Å; L33-L37 VanDerWaalsContact O-CG 3.23Å; L33-L37 WeakPolarHBondContact O-CG 3.44Å; L33-L37 PolarHBondContact O-N 3.42Å; K34-L37 PolarHBondContact O-N 3.49Å; K35-L37 VanDerWaalsContact C-N 3.27Å; K35-L37 PolarHBondContact O-N 3.02Å; L37-E39 PolarHBondContact O-N 3.37Å; L37-H41 HydrophobicContact CD2-CB 4.38Å; L37-H41 WeakPolarHBondContact O-CB 3.28Å; L37-H41 PolarHBondContact O-N 3.15Å; L37-L52 HydrophobicContact CD1-CD2 3.86Å; L37-L80 HydrophobicContact CB-CD2 4.43Å; L37-L80 HydrophobicContact CD1-CD1 4.36Å; L37-L80 HydrophobicContact CD1-CD2 4.15Å; L37-L80 HydrophobicContact CD2-CD2 4.19Å; L37-L80 HydrophobicContact CG-CD2 4.49Å
38S88.7Confident87.6Confident31 Ų3159 Ų5922%0.21731%0.311CS..Hα-helixtrans-65.6-29.2173.8-166.20000112.2K34 K35 P45K34-S38 PolarHBondContact O-N 3.5Å; K35-S38 WeakPolarHBondContact O-CB 3.49Å; K35-S38 PolarHBondContact O-N 3.43Å; S38-P45 WeakPolarHBondContact CB-O 3.38Å; S38-P45 PolarHBondContact OG-O 3.41Å
39E87.1Confident87.4Confident110 Ų11058.3 Ų58.351%0.51431%0.313SS..Hα-helixtrans-92.2-40.4-178.7-66.8167.1-170.400112.3K35 Y36 L37K35-E39 WeakPolarHBondContact CE-OE1 3.45Å; K35-E39 PolarHBondContact O-N 3.11Å; Y36-E39 PolarHBondContact O-N 3.38Å; L37-E39 PolarHBondContact O-N 3.37Å
40H85.1Confident87.3Confident100 Ų10055.4 Ų55.446%0.46330%0.298SS..Hα-helixtrans-105.8-13.8-168.1-61.375.9000115.1Y36Y36-H40 HydrophobicContact CD1-CB 4.38Å; Y36-H40 AromaticContact CD2-CE1 3.61Å; Y36-H40 AromaticContact CD2-ND1 3.49Å; Y36-H40 WeakPolarHBondContact CD2-ND1 3.36Å; Y36-H40 HydrophobicContact CE1-CB 3.93Å; Y36-H40 AromaticContact CE1-CG 3.99Å; Y36-H40 AromaticContact CE2-CD2 3.76Å; Y36-H40 AromaticContact CE2-CE1 3.43Å; Y36-H40 VanDerWaalsContact CE2-CE1 3.43Å; Y36-H40 WeakPolarHBondContact CE2-CE1 3.35Å; Y36-H40 AromaticContact CE2-CG 3.69Å; Y36-H40 AromaticContact CE2-ND1 3.46Å; Y36-H40 WeakPolarHBondContact CE2-ND1 3.49Å; Y36-H40 AromaticContact CE2-NE2 3.59Å; Y36-H40 AromaticContact CG-ND1 3.92Å; Y36-H40 AromaticContact CZ-CD2 3.75Å; Y36-H40 AromaticContact CZ-CG 3.6Å; Y36-H40 AromaticContact CZ-ND1 3.84Å; Y36-H40 WeakPolarHBondContact O-CB 3.19Å; Y36-H40 PolarHBondContact O-N 3.3Å; Y36-H40 PolarHBondContact O-ND1 2.92Å
41H81.5Confident87.3Confident5 Ų563.1 Ų63.12%0.02333%0.327CS..SBendtrans-80138.1178.6-170.4-97.8000110.6S12 L37 A43 Q44 Y82S12-H41 PolarHBondContact OG-NE2 3.28Å; L37-H41 HydrophobicContact CD2-CB 4.38Å; L37-H41 WeakPolarHBondContact O-CB 3.28Å; L37-H41 PolarHBondContact O-N 3.15Å; H41-A43 PolarHBondContact ND1-N 3.49Å; H41-A43 PolarHBondContact O-N 2.92Å; H41-Q44 PolarHBondContact O-N 3.38Å; H41-Y82 AromaticContact CE1-CE1 3.85Å; H41-Y82 AromaticContact CE1-CZ 4Å
42P79.2Confident87.3Confident101 Ų10161.2 Ų61.266%0.65631%0.313SS*.THydrogen-bonded Turntrans-63.8-12.7-173.724.4-35.9000115.3I17I17-P42 HydrophobicContact CG2-CG 3.83Å
43A77.7Confident87.3Confident28 Ų2860.3 Ų60.323%0.23131%0.308CS..THydrogen-bonded Turntrans-100.61.4174.200000114.3I17 H41 P45 Y82I17-A43 HydrophobicContact CD1-CB 4.27Å; H41-A43 PolarHBondContact ND1-N 3.49Å; H41-A43 PolarHBondContact O-N 2.92Å; A43-P45 VanDerWaalsContact C-CD 3.5Å; A43-P45 VanDerWaalsContact O-N 3.17Å; A43-Y82 HydrophobicContact CB-CE2 3.81Å; A43-Y82 VanDerWaalsContact CB-OH 3.24Å; A43-Y82 WeakPolarHBondContact CB-OH 3.01Å
44Q82.1Confident87.2Confident142 Ų14261.3 Ų61.366%0.66431%0.312SS*.  trans37.354.3-179.5-65.2-178.1-18.700114.9H41 S46H41-Q44 PolarHBondContact O-N 3.38Å; Q44-S46 PolarHBondContact O-N 3.06Å
45P83.4Confident86.9Confident5 Ų565 Ų653%0.03235%0.346CS..  trans-71128.9-174.830.2-33.8000110.7S38 A43 V47 Q50 L80 Y82S38-P45 WeakPolarHBondContact CB-O 3.38Å; S38-P45 PolarHBondContact OG-O 3.41Å; A43-P45 VanDerWaalsContact C-CD 3.5Å; A43-P45 VanDerWaalsContact O-N 3.17Å; P45-V47 PolarHBondContact O-N 2.93Å; P45-Q50 HydrophobicContact CB-CG 3.91Å; P45-Q50 HydrophobicContact CG-CG 3.9Å; P45-Q50 PolarHBondContact O-NE2 2.97Å; P45-L80 HydrophobicContact CG-CD2 4.48Å; P45-Y82 HydrophobicContact CB-CD1 3.93Å; P45-Y82 HydrophobicContact CB-CD2 3.66Å; P45-Y82 HydrophobicContact CB-CE2 4.3Å; P45-Y82 HydrophobicContact CB-CG 3.46Å; P45-Y82 VanDerWaalsContact CB-CG 3.46Å; P45-Y82 HydrophobicContact CG-CD1 4.07Å; P45-Y82 HydrophobicContact CG-CE1 4.44Å; P45-Y82 HydrophobicContact CG-CG 4.13Å
46S85.5Confident86.6Confident73 Ų7362.8 Ų62.851%0.5136%0.357SS..  trans-62.8138.9-177.566.10000111.7Q44 L48 S49 Q50Q44-S46 PolarHBondContact O-N 3.06Å; S46-L48 VanDerWaalsContact C-N 3.27Å; S46-L48 PolarHBondContact O-N 3.03Å; S46-L48 VanDerWaalsContact O-N 3.1Å; S46-S49 PolarHBondContact N-OG 3.45Å; S46-S49 WeakPolarHBondContact O-CA 3.33Å; S46-S49 WeakPolarHBondContact O-CB 3.3Å; S46-S49 PolarHBondContact O-N 3.44Å; S46-S49 PolarHBondContact O-OG 3.49Å; S46-S49 WeakPolarHBondContact OG-CB 3.02Å; S46-S49 PolarHBondContact OG-OG 3.42Å; S46-Q50 PolarHBondContact O-N 3.2Å
47V88.2Confident86.4Confident52 Ų5266.9 Ų66.932%0.31538%0.377SS..G310 helixtrans-47.5-44.2-172.1176.90000113.6K34 K35 P45 S49 Q50K34-V47 HydrophobicContact CB-CG1 3.98Å; K34-V47 HydrophobicContact CD-CG1 4.32Å; K35-V47 HydrophobicContact CB-CG2 4.47Å; P45-V47 PolarHBondContact O-N 2.93Å; V47-S49 VanDerWaalsContact C-N 3.29Å; V47-S49 PolarHBondContact O-N 2.78Å; V47-Q50 PolarHBondContact O-N 3.09Å
48L85.7Confident86.5Confident175 Ų17571.6 Ų71.692%0.91640%0.401SS*.G310 helixtrans-68.7-25.1179.7-60.7177.5000113.7S46S46-L48 VanDerWaalsContact C-N 3.27Å; S46-L48 PolarHBondContact O-N 3.03Å; S46-L48 VanDerWaalsContact O-N 3.1Å
49S86.6Confident86.6Confident28 Ų2870.6 Ų70.620%0.19639%0.394CS..G310 helixtrans-84.7-19.2178.9810000113.1S46 V47 P83S46-S49 PolarHBondContact N-OG 3.45Å; S46-S49 WeakPolarHBondContact O-CA 3.33Å; S46-S49 WeakPolarHBondContact O-CB 3.3Å; S46-S49 PolarHBondContact O-N 3.44Å; S46-S49 PolarHBondContact O-OG 3.49Å; S46-S49 WeakPolarHBondContact OG-CB 3.02Å; S46-S49 PolarHBondContact OG-OG 3.42Å; V47-S49 VanDerWaalsContact C-N 3.29Å; V47-S49 PolarHBondContact O-N 2.78Å; S49-P83 WeakPolarHBondContact O-CD 3.1Å
50Q90.6Very high86.8Confident2 Ų272.3 Ų72.31%0.00940%0.399CS..  trans-76.5136.7-179-64.3-177.236.700112.6K34 P45 S46 V47 L80 V81K34-Q50 VanDerWaalsContact CA-OE1 3.27Å; K34-Q50 HydrophobicContact CD-CB 4.22Å; K34-Q50 WeakPolarHBondContact CE-O 3.43Å; K34-Q50 HydrophobicContact CG-CB 4.04Å; K34-Q50 PolarHBondContact NZ-O 2.86Å; K34-Q50 PolarHBondContact O-NE2 3Å; K34-Q50 PolarHBondContact O-OE1 3.38Å; P45-Q50 HydrophobicContact CB-CG 3.91Å; P45-Q50 HydrophobicContact CG-CG 3.9Å; P45-Q50 PolarHBondContact O-NE2 2.97Å; S46-Q50 PolarHBondContact O-N 3.2Å; V47-Q50 PolarHBondContact O-N 3.09Å; Q50-L80 HydrophobicContact CB-CD1 4.01Å; Q50-L80 HydrophobicContact CG-CD1 3.91Å; Q50-V81 CarbonylContact C-O 3.55Å
51R90.8Very high87Confident162 Ų16271.2 Ų71.261%0.61140%0.397SS*.EExtended strand (participates in β ladder)trans-125.8122.9169.3-61.9-179.3-176.5-168.8-0.6108.6L58 V81R51-L58 HydrophobicContact CB-CD1 3.84Å; R51-L58 HydrophobicContact CG-CD1 4.38Å; R51-V81 HydrophobicContact CB-CB 4.29Å; R51-V81 PolarHBondContact N-O 3.35Å; R51-V81 PolarHBondContact O-N 2.89Å
52L92.1Very high87.4Confident0 Ų076.1 Ų76.10%042%0.423CS..EExtended strand (participates in β ladder)trans-100.6127.3178.6-63.2-179.7000109A30 L33 K34 L37 L59 I78 L80A30-L52 HydrophobicContact CB-CD1 4.33Å; L33-L52 HydrophobicContact CB-CD1 4.29Å; L33-L52 HydrophobicContact CD2-CD1 3.97Å; L33-L52 HydrophobicContact CG-CD1 4.03Å; K34-L52 HydrophobicContact CG-CD1 3.79Å; K34-L52 HydrophobicContact CG-CG 4.05Å; L37-L52 HydrophobicContact CD1-CD2 3.86Å; L52-L59 HydrophobicContact CB-CB 4.18Å; L52-L59 HydrophobicContact CB-CD1 4.01Å; L52-L59 HydrophobicContact CB-CG 4.39Å; L52-L59 WeakPolarHBondContact O-CB 3.45Å; L52-L59 PolarHBondContact O-N 2.87Å; L52-I78 HydrophobicContact CB-CG2 3.75Å; L52-I78 HydrophobicContact CD2-CG2 4Å; L52-I78 HydrophobicContact CG-CG2 4.37Å; L52-L80 HydrophobicContact CD2-CB 4.25Å; L52-L80 HydrophobicContact CD2-CD1 3.74Å
53I91.8Very high87.9Confident49 Ų4973.4 Ų73.425%0.25141%0.405SS..EExtended strand (participates in β ladder)trans-125.9122.1-175.6-54.7176.7000109.6K57 L58 I78 H79 V81I53-K57 CarbonylContact C-O 3.54Å; I53-K57 WeakPolarHBondContact CA-O 3.34Å; I53-L58 HydrophobicContact CG1-CD1 4.11Å; I53-I78 CarbonylContact O-C 3.51Å; I53-I78 WeakPolarHBondContact O-CA 3.45Å; I53-H79 HydrophobicContact CB-CB 4.39Å; I53-H79 PolarHBondContact N-O 3.38Å; I53-H79 PolarHBondContact O-N 3.27Å; I53-V81 HydrophobicContact CD1-CG2 3.74Å; I53-V81 HydrophobicContact CG1-CG2 4.47Å
54H90.4Very high88.6Confident20 Ų2074.1 Ų74.19%0.09341%0.408CS..EExtended strand (participates in β ladder)trans-121128.9177.1-177.5-91.9000110.2G56 K57 L59 I68 P76 T77 I78H54-G56 PolarHBondContact O-N 3.26Å; H54-G56 VanDerWaalsContact O-N 3.12Å; H54-K57 PolarHBondContact N-O 3.31Å; H54-K57 WeakPolarHBondContact O-CB 3.23Å; H54-K57 PolarHBondContact O-N 3.24Å; H54-L59 HydrophobicContact CB-CD1 4.22Å; H54-L59 HydrophobicContact CB-CD2 4.08Å; H54-L59 HydrophobicContact CB-CG 4.33Å; H54-I68 HydrophobicContact CB-CG2 4.32Å; H54-P76 WeakPolarHBondContact NE2-CB 3.46Å; H54-T77 PolarHBondContact CD2-O 3.37Å; H54-I78 HydrophobicContact CB-CG1 4.26Å
55A85.7Confident88.9Confident94 Ų9467.3 Ų67.378%0.77738%0.376SS*.THydrogen-bonded Turntrans47.839.9-179.100000113.8K57A55-K57 PolarHBondContact O-N 3.29Å
56G85.2Confident89Confident74 Ų7468.2 Ų68.276%0.76338%0.383SS*.THydrogen-bonded Turntrans79.9-15.2-17600000115.8H54H54-G56 PolarHBondContact O-N 3.26Å; H54-G56 VanDerWaalsContact O-N 3.12Å
57K87.4Confident88.8Confident154 Ų15466.6 Ų66.667%0.6738%0.377SS*.EExtended strand (participates in β ladder)trans-84.6126.5178.8-173.7176.2-179.8178.70111.3I53 H54 A55 L59I53-K57 CarbonylContact C-O 3.54Å; I53-K57 WeakPolarHBondContact CA-O 3.34Å; H54-K57 PolarHBondContact N-O 3.31Å; H54-K57 WeakPolarHBondContact O-CB 3.23Å; H54-K57 PolarHBondContact O-N 3.24Å; A55-K57 PolarHBondContact O-N 3.29Å; K57-L59 PolarHBondContact O-N 2.94Å
58L91.1Very high88.5Confident98 Ų9864.7 Ų64.751%0.51337%0.365SS..EExtended strand (participates in β ladder)trans-67.8125.1168.3-179.766.3000109.6R51 I53R51-L58 HydrophobicContact CB-CD1 3.84Å; R51-L58 HydrophobicContact CG-CD1 4.38Å; I53-L58 HydrophobicContact CG1-CD1 4.11Å
59L90.8Very high88.3Confident11 Ų1157 Ų576%0.05833%0.326CS..PPolyproline II helixtrans-81.7131.7175.4-55-178.7000109.7A30 L52 H54 K57 T63 I68 I78A30-L59 HydrophobicContact CB-CB 4.34Å; L52-L59 HydrophobicContact CB-CB 4.18Å; L52-L59 HydrophobicContact CB-CD1 4.01Å; L52-L59 HydrophobicContact CB-CG 4.39Å; L52-L59 WeakPolarHBondContact O-CB 3.45Å; L52-L59 PolarHBondContact O-N 2.87Å; H54-L59 HydrophobicContact CB-CD1 4.22Å; H54-L59 HydrophobicContact CB-CD2 4.08Å; H54-L59 HydrophobicContact CB-CG 4.33Å; K57-L59 PolarHBondContact O-N 2.94Å; L59-T63 HydrophobicContact CD2-CG2 4.26Å; L59-I68 HydrophobicContact CD1-CD1 3.48Å; L59-I68 VanDerWaalsContact CD1-CD1 3.48Å; L59-I68 HydrophobicContact CD2-CD1 3.64Å; L59-I68 HydrophobicContact CG-CD1 4.2Å; L59-I78 HydrophobicContact CD1-CD1 3.83Å; L59-I78 HydrophobicContact CD1-CG1 4.45Å; L59-I78 HydrophobicContact CD1-CG2 4.25Å
60K91.2Very high87.7Confident145 Ų14560.5 Ų60.563%0.6335%0.346SS*.PPolyproline II helixtrans-86.9157.9170.8-70.3-178.6178.3-175.40109.9A30 D62 T63A30-K60 VanDerWaalsContact CB-O 3.22Å; A30-K60 WeakPolarHBondContact CB-O 3.37Å; K60-D62 WeakPolarHBondContact CB-OD1 3.19Å; K60-D62 PolarHBondContact O-N 3.42Å; K60-T63 PolarHBondContact N-OG1 3.45Å; K60-T63 WeakPolarHBondContact O-CB 3.44Å; K60-T63 PolarHBondContact O-N 2.79Å; K60-T63 PolarHBondContact O-OG1 2.91Å; K60-T63 VanDerWaalsContact O-OG1 3.08Å
61D90.3Very high86.8Confident77 Ų7767.2 Ų67.241%0.41238%0.378SS..THydrogen-bonded Turntrans-63.8-21.9-176.1-67.5-42.6000114.5S31 K34S31-D61 PolarHBondContact N-O 2.83Å; S31-D61 PolarHBondContact OG-O 2.8Å; K34-D61 VanDerWaalsContact CD-OD1 3.28Å; K34-D61 WeakPolarHBondContact CD-OD1 3.28Å; K34-D61 WeakPolarHBondContact CE-OD1 3.3Å; K34-D61 IonicContact NZ-OD1 2.76Å; K34-D61 PolarHBondContact NZ-OD1 2.84Å; K34-D61 IonicContact NZ-OD2 3.79Å; K34-D61 PolarHBondContact NZ-OD2 2.91Å
62D90.4Very high85.9Confident109 Ų10962 Ų6258%0.58336%0.364SS*.THydrogen-bonded Turntrans-82.5-5.7173.362.9-8000114.2K60 S64K60-D62 WeakPolarHBondContact CB-OD1 3.19Å; K60-D62 PolarHBondContact O-N 3.42Å; D62-S64 PolarHBondContact O-N 2.92Å
63T89.9Confident84.7Confident43 Ų4370.8 Ų70.826%0.26441%0.411SS..  trans-80.7117.9-173.9-55.90000110.9L29 A30 L59 K60 I68L29-T63 CarbonylContact C-O 3.52Å; A30-T63 PolarHBondContact N-O 2.93Å; L59-T63 HydrophobicContact CD2-CG2 4.26Å; K60-T63 PolarHBondContact N-OG1 3.45Å; K60-T63 WeakPolarHBondContact O-CB 3.44Å; K60-T63 PolarHBondContact O-N 2.79Å; K60-T63 PolarHBondContact O-OG1 2.91Å; K60-T63 VanDerWaalsContact O-OG1 3.08Å; T63-I68 HydrophobicContact CG2-CD1 4.2Å; T63-I68 HydrophobicContact CG2-CG1 4.46Å
64S90.8Very high83.9Confident43 Ų4370.7 Ų70.730%0.30142%0.422SS..BIsolated β-bridgetrans-70131.2177.6-171.80000112.4D62 S66D62-S64 PolarHBondContact O-N 2.92Å; S64-S66 VanDerWaalsContact C-N 3.35Å; S64-S66 PolarHBondContact O-N 3.44Å; S64-S66 PolarHBondContact OG-OG 2.84Å; S64-S66 VanDerWaalsContact OG-OG 3.1Å
65I89.4Confident83.4Confident0 Ų074 Ų740%044%0.44CS..Hα-helixtrans-69.3-32.5-178.3-60.3-57.2000111.7V8 C24 W28 A30 L33 G67 I68 C69 I78V8-I65 HydrophobicContact CG2-CG2 3.94Å; C24-I65 HydrophobicContact CB-CG2 3.93Å; W28-I65 HydrophobicContact CB-CB 4.48Å; W28-I65 HydrophobicContact CB-CG1 4.32Å; W28-I65 PolarHBondContact O-N 2.83Å; A30-I65 HydrophobicContact CB-CD1 4.33Å; L33-I65 HydrophobicContact CB-CD1 4.35Å; L33-I65 HydrophobicContact CB-CG1 4.33Å; L33-I65 HydrophobicContact CD2-CD1 3.68Å; L33-I65 HydrophobicContact CD2-CG1 4.2Å; I65-G67 VanDerWaalsContact C-N 3.32Å; I65-G67 PolarHBondContact O-N 2.76Å; I65-I68 HydrophobicContact CD1-CD1 4.02Å; I65-I68 WeakPolarHBondContact O-CB 3.33Å; I65-I68 PolarHBondContact O-N 2.84Å; I65-C69 PolarHBondContact O-N 3.12Å; I65-C69 PolarHBondContact O-SG 2.9Å; I65-I78 HydrophobicContact CD1-CD1 4.42Å
66S84.5Confident83.5Confident24 Ų2469.7 Ų69.717%0.16840%0.404CS..Hα-helixtrans-61.1-40.2179.856.10000112.2F6 S26 S64 I68 C69 T70F6-S66 VanDerWaalsContact CE2-CB 3.44Å; S26-S66 WeakPolarHBondContact O-CB 3.17Å; S26-S66 PolarHBondContact O-OG 3.07Å; S64-S66 VanDerWaalsContact C-N 3.35Å; S64-S66 PolarHBondContact O-N 3.44Å; S64-S66 PolarHBondContact OG-OG 2.84Å; S64-S66 VanDerWaalsContact OG-OG 3.1Å; S66-I68 VanDerWaalsContact C-N 3.33Å; S66-I68 PolarHBondContact O-N 2.86Å; S66-C69 CarbonylContact O-C 3.59Å; S66-C69 PolarHBondContact O-N 3.47Å; S66-C69 VanDerWaalsContact O-N 3.12Å; S66-T70 PolarHBondContact O-N 2.91Å; S66-T70 PolarHBondContact O-OG1 3.46Å
67G83.2Confident83.7Confident38 Ų3868 Ų6839%0.39238%0.379SS..Hα-helixtrans-61.3-37.4175.400000113.7I65 T70 Q71I65-G67 VanDerWaalsContact C-N 3.32Å; I65-G67 PolarHBondContact O-N 2.76Å; G67-T70 WeakPolarHBondContact CA-OG1 3.42Å; G67-T70 PolarHBondContact O-N 2.9Å; G67-T70 PolarHBondContact O-OG1 3.13Å; G67-Q71 PolarHBondContact O-N 3.47Å
68I81.6Confident83.9Confident12 Ų1260.7 Ų60.76%0.06235%0.347CS..Hα-helixtrans-65.9-42.7174-54.4174.3000109.9H54 L59 T63 I65 S66 T70 Q71 P76H54-I68 HydrophobicContact CB-CG2 4.32Å; L59-I68 HydrophobicContact CD1-CD1 3.48Å; L59-I68 VanDerWaalsContact CD1-CD1 3.48Å; L59-I68 HydrophobicContact CD2-CD1 3.64Å; L59-I68 HydrophobicContact CG-CD1 4.2Å; T63-I68 HydrophobicContact CG2-CD1 4.2Å; T63-I68 HydrophobicContact CG2-CG1 4.46Å; I65-I68 HydrophobicContact CD1-CD1 4.02Å; I65-I68 WeakPolarHBondContact O-CB 3.33Å; I65-I68 PolarHBondContact O-N 2.84Å; S66-I68 VanDerWaalsContact C-N 3.33Å; S66-I68 PolarHBondContact O-N 2.86Å; I68-T70 VanDerWaalsContact C-N 3.28Å; I68-T70 PolarHBondContact O-N 2.94Å; I68-Q71 PolarHBondContact O-N 3.16Å; I68-P76 HydrophobicContact CG2-CB 4.29Å
69C80.1Confident84Confident15 Ų1560 Ų6010%0.10134%0.341CS..Hα-helixtrans-73-17.3-179-56.60000113.8F6 I65 S66 P76F6-C69 HydrophobicContact CB-CB 3.76Å; F6-C69 VanDerWaalsContact CB-SG 3.57Å; F6-C69 HydrophobicContact CD1-CB 3.3Å; F6-C69 HydrophobicContact CE1-CB 3.97Å; F6-C69 HydrophobicContact CG-CB 3.67Å; I65-C69 PolarHBondContact O-N 3.12Å; I65-C69 PolarHBondContact O-SG 2.9Å; S66-C69 CarbonylContact O-C 3.59Å; S66-C69 PolarHBondContact O-N 3.47Å; S66-C69 VanDerWaalsContact O-N 3.12Å; C69-P76 HydrophobicContact CB-CG 4.23Å
70T75.5Confident84Confident101 Ų10159.4 Ų59.462%0.6234%0.338SS*.Hα-helixtrans-88.6-12.8171.246.60000113.9F6 S66 G67 I68F6-T70 HydrophobicContact CE1-CG2 4.25Å; F6-T70 HydrophobicContact CZ-CG2 4.49Å; S66-T70 PolarHBondContact O-N 2.91Å; S66-T70 PolarHBondContact O-OG1 3.46Å; G67-T70 WeakPolarHBondContact CA-OG1 3.42Å; G67-T70 PolarHBondContact O-N 2.9Å; G67-T70 PolarHBondContact O-OG1 3.13Å; I68-T70 VanDerWaalsContact C-N 3.28Å; I68-T70 PolarHBondContact O-N 2.94Å
71Q71.5Confident83.9Confident142 Ų14255 Ų5566%0.66432%0.323SS*.SBendtrans-90.7-3.1-177.8-168.7166.252.300113.5G67 I68G67-Q71 PolarHBondContact O-N 3.47Å; I68-Q71 PolarHBondContact O-N 3.16Å
72V72Confident83.8Confident53 Ų5353.2 Ų53.232%0.32131%0.311SS..SBendtrans-129.9124.9-175.1-175.80000110.1G74 P76V72-G74 PolarHBondContact O-N 3.13Å; V72-P76 HydrophobicContact CG2-CB 4.41Å
73D66.3Low83.2Confident184 Ų18452.2 Ų52.298%0.98431%0.31SS*.SBendtrans-7455.6173.7-69.4-52.2000112.2
74G74.4Confident81.9Confident47 Ų4756.8 Ų56.849%0.48533%0.333SS..SBendtrans174.4-162.3-175.700000112.9V72 P76V72-G74 PolarHBondContact O-N 3.13Å; G74-P76 VanDerWaalsContact O-CD 3.28Å; G74-P76 WeakPolarHBondContact O-CD 3.43Å
75L81Confident80.3Confident89 Ų8958.5 Ų58.547%0.46634%0.343SS..  trans-82.9111.9170.5-96.165.9000109.4K7 I9 T21 T77K7-L75 HydrophobicContact CB-CD1 4.48Å; K7-L75 HydrophobicContact CB-CD2 4.11Å; K7-L75 HydrophobicContact CB-CG 4.05Å; I9-L75 HydrophobicContact CD1-CB 3.83Å; I9-L75 HydrophobicContact CD1-CD2 3.98Å; I9-L75 HydrophobicContact CG1-CB 4.08Å; I9-L75 HydrophobicContact CG1-CD2 3.93Å; T21-L75 HydrophobicContact CG2-CD2 4.43Å; L75-T77 PolarHBondContact O-N 3.14Å
76P87.6Confident78.4Confident4 Ų466.7 Ų66.73%0.02638%0.379CS..  trans-60.3139176.126.2-36.8000110.8K7 V8 I9 H54 I68 C69 V72 G74K7-P76 WeakPolarHBondContact O-CD 3.43Å; V8-P76 HydrophobicContact CG1-CG 4.44Å; V8-P76 HydrophobicContact CG2-CG 4.19Å; I9-P76 PolarHBondContact N-O 2.93Å; H54-P76 WeakPolarHBondContact NE2-CB 3.46Å; I68-P76 HydrophobicContact CG2-CB 4.29Å; C69-P76 HydrophobicContact CB-CG 4.23Å; V72-P76 HydrophobicContact CG2-CB 4.41Å; G74-P76 VanDerWaalsContact O-CD 3.28Å; G74-P76 WeakPolarHBondContact O-CD 3.43Å
77T89.8Confident76.4Confident40 Ų4074 Ų7425%0.24542%0.415CS..EExtended strand (participates in β ladder)trans-109.7118.7179.3-64.50000109.9I9 K11 H54 L75I9-T77 CarbonylContact O-C 3.58Å; I9-T77 WeakPolarHBondContact O-CA 3.4Å; K11-T77 HydrophobicContact CD-CG2 3.72Å; K11-T77 HydrophobicContact CG-CG2 3.89Å; H54-T77 PolarHBondContact CD2-O 3.37Å; L75-T77 PolarHBondContact O-N 3.14Å
78I91.7Very high74.5Confident0 Ų081.1 Ų81.10%044%0.441CS..EExtended strand (participates in β ladder)trans-108.2128.6176.2-56.6-176.5000108.6V8 I9 I10 K11 L33 L52 I53 H54 L59 I65V8-I78 HydrophobicContact CG1-CB 4.34Å; V8-I78 HydrophobicContact CG1-CD1 3.6Å; V8-I78 HydrophobicContact CG1-CG1 3.68Å; I9-I78 PolarHBondContact O-N 3.45Å; I10-I78 CarbonylContact C-O 3.5Å; I10-I78 WeakPolarHBondContact CA-O 3.39Å; I10-I78 HydrophobicContact CD1-CB 3.94Å; K11-I78 PolarHBondContact N-O 2.88Å; L33-I78 HydrophobicContact CD2-CD1 3.91Å; L52-I78 HydrophobicContact CB-CG2 3.75Å; L52-I78 HydrophobicContact CD2-CG2 4Å; L52-I78 HydrophobicContact CG-CG2 4.37Å; I53-I78 CarbonylContact O-C 3.51Å; I53-I78 WeakPolarHBondContact O-CA 3.45Å; H54-I78 HydrophobicContact CB-CG1 4.26Å; L59-I78 HydrophobicContact CD1-CD1 3.83Å; L59-I78 HydrophobicContact CD1-CG1 4.45Å; L59-I78 HydrophobicContact CD1-CG2 4.25Å; I65-I78 HydrophobicContact CD1-CD1 4.42Å
79H91.7Very high72.3Confident82 Ų8283.5 Ų83.538%0.3847%0.468SS..EExtended strand (participates in β ladder)trans-88.1124.8172.9-66-104000109.8K11 I53K11-H79 CarbonylContact O-C 3.56Å; K11-H79 VanDerWaalsContact O-CA 3.3Å; K11-H79 WeakPolarHBondContact O-CA 3.5Å; I53-H79 HydrophobicContact CB-CB 4.39Å; I53-H79 PolarHBondContact N-O 3.38Å; I53-H79 PolarHBondContact O-N 3.27Å
80L91Very high70.3Confident0 Ų090 Ų900%050%0.502CS..EExtended strand (participates in β ladder)trans-98.9100.5-179.6168.561.8000109.9I10 K11 P13 L37 P45 Q50 L52 Y82I10-L80 HydrophobicContact CG2-CB 3.64Å; I10-L80 HydrophobicContact CG2-CD2 4.02Å; I10-L80 HydrophobicContact CG2-CG 4.46Å; K11-L80 PolarHBondContact O-N 3.4Å; P13-L80 WeakPolarHBondContact CD-O 3.32Å; L37-L80 HydrophobicContact CB-CD2 4.43Å; L37-L80 HydrophobicContact CD1-CD1 4.36Å; L37-L80 HydrophobicContact CD1-CD2 4.15Å; L37-L80 HydrophobicContact CD2-CD2 4.19Å; L37-L80 HydrophobicContact CG-CD2 4.49Å; P45-L80 HydrophobicContact CG-CD2 4.48Å; Q50-L80 HydrophobicContact CB-CD1 4.01Å; Q50-L80 HydrophobicContact CG-CD1 3.91Å; L52-L80 HydrophobicContact CD2-CB 4.25Å; L52-L80 HydrophobicContact CD2-CD1 3.74Å; L80-Y82 HydrophobicContact CD1-CD1 4.4Å; L80-Y82 HydrophobicContact CD2-CD1 4.47Å; L80-Y82 HydrophobicContact CD2-CE1 4.45Å; L80-Y82 HydrophobicContact CG-CD1 3.98Å; L80-Y82 HydrophobicContact CG-CE1 4.29Å
81V89.9Confident68.6Low52 Ų5291.1 Ų91.132%0.31551%0.514SS..EExtended strand (participates in β ladder)trans-96.3132.2176-1670000109.6P13 Q50 R51 I53P13-V81 HydrophobicContact CG-CB 4.29Å; P13-V81 HydrophobicContact CG-CG1 4.34Å; P13-V81 HydrophobicContact CG-CG2 3.82Å; Q50-V81 CarbonylContact C-O 3.55Å; R51-V81 HydrophobicContact CB-CB 4.29Å; R51-V81 PolarHBondContact N-O 3.35Å; R51-V81 PolarHBondContact O-N 2.89Å; I53-V81 HydrophobicContact CD1-CG2 3.74Å; I53-V81 HydrophobicContact CG1-CG2 4.47Å
82Y87Confident67Low40 Ų4090.6 Ų90.616%0.15752%0.515CS..  trans-147.6150.317256-83.3000109.7I17 H41 A43 P45 L80I17-Y82 WeakPolarHBondContact CD1-OH 3.13Å; H41-Y82 AromaticContact CE1-CE1 3.85Å; H41-Y82 AromaticContact CE1-CZ 4Å; A43-Y82 HydrophobicContact CB-CE2 3.81Å; A43-Y82 VanDerWaalsContact CB-OH 3.24Å; A43-Y82 WeakPolarHBondContact CB-OH 3.01Å; P45-Y82 HydrophobicContact CB-CD1 3.93Å; P45-Y82 HydrophobicContact CB-CD2 3.66Å; P45-Y82 HydrophobicContact CB-CE2 4.3Å; P45-Y82 HydrophobicContact CB-CG 3.46Å; P45-Y82 VanDerWaalsContact CB-CG 3.46Å; P45-Y82 HydrophobicContact CG-CD1 4.07Å; P45-Y82 HydrophobicContact CG-CE1 4.44Å; P45-Y82 HydrophobicContact CG-CG 4.13Å; L80-Y82 HydrophobicContact CD1-CD1 4.4Å; L80-Y82 HydrophobicContact CD2-CD1 4.47Å; L80-Y82 HydrophobicContact CD2-CE1 4.45Å; L80-Y82 HydrophobicContact CG-CD1 3.98Å; L80-Y82 HydrophobicContact CG-CE1 4.29Å
83P77.6Confident65.4Low87 Ų8794.3 Ų94.357%0.56554%0.538SS*.  trans-67.3136.2170.329.5-34000110S49 P85S49-P83 WeakPolarHBondContact O-CD 3.1Å; P83-P85 WeakPolarHBondContact O-CD 3.48Å
84N63.7Low64.1Low139 Ų13991.3 Ų91.374%0.74352%0.522SS*.  trans-62.3121.4178.7-17427.5000110.4K86N84-K86 PolarHBondContact O-N 2.93Å; N84-K86 VanDerWaalsContact O-N 3.11Å
85P57.4Low62.2Low80 Ų8096.6 Ų96.652%0.51954%0.539SS..  trans-63115.6178.424.7-33.4000110.4P83 L87P83-P85 WeakPolarHBondContact O-CD 3.48Å; P85-L87 PolarHBondContact O-N 2.89Å
86K49.3Very low60.3Low172 Ų172101.2 Ų101.275%0.74855%0.551SS**  trans-65.3129.7166-67.6-178.1-179.6178.40107.6N84 M88N84-K86 PolarHBondContact O-N 2.93Å; N84-K86 VanDerWaalsContact O-N 3.11Å; K86-M88 PolarHBondContact O-N 3.34Å
87L42.3Very low57.8Low177 Ų177110.6 Ų110.693%0.92759%0.586SS**  trans-60100.4178.2-72.5163000110.3P85 G89P85-L87 PolarHBondContact O-N 2.89Å; L87-G89 VanDerWaalsContact C-N 3.27Å; L87-G89 PolarHBondContact O-N 3.1Å; L87-G89 VanDerWaalsContact O-N 3.16Å
88M42.7Very low55.6Low188 Ų188112.8 Ų112.893%0.92661%0.609SS**  trans-86.970.8171.9-67.1-173.275.400109.8K86K86-M88 PolarHBondContact O-N 3.34Å
89G35.7Very low53.1Low61 Ų61116.9 Ų116.963%0.62963%0.631SS**  trans-90.8149.2157.200000110L87L87-G89 VanDerWaalsContact C-N 3.27Å; L87-G89 PolarHBondContact O-N 3.1Å; L87-G89 VanDerWaalsContact O-N 3.16Å
90D39.4Very low50.9Low153 Ų153118.7 Ų118.782%0.81864%0.643SS**SBendtrans53.874170.8-60.8-17.7000117.6N92D90-N92 PolarHBondContact O-N 3.11Å
91S38.6Very low49Very low124 Ų124122.7 Ų122.787%0.86767%0.668SS**  37.658.8105.1-51.20000118.4
92N37.5Very low47.1Very low130 Ų130127.5 Ų127.570%0.69569%0.691SS**  trans-139.2141.5149.8-148-37.2000112.4D90 N94D90-N92 PolarHBondContact O-N 3.11Å; N92-N94 PolarHBondContact O-N 3.11Å
93V38.7Very low45.5Very low131 Ų131132.9 Ų132.979%0.79472%0.715SS**  trans-79.4106.2-173.2177.10000109.4
94N39.2Very low44.4Very low122 Ų122133.6 Ų133.665%0.65271%0.714SS**  trans-158.1156.6155.6-101.5-53.8000111.9N92 Y96N92-N94 PolarHBondContact O-N 3.11Å; N94-Y96 WeakPolarHBondContact O-CD2 3.47Å; N94-Y96 WeakPolarHBondContact O-CE2 3.33Å; N94-Y96 PolarHBondContact O-N 3.31Å
95N34.7Very low44.6Very low158 Ų158129.6 Ų129.685%0.84569%0.692SS**  trans-66.489.4-169.9-86.7-76.6000114.3R97N95-R97 VanDerWaalsContact C-N 3.26Å; N95-R97 PolarHBondContact O-N 3.11Å; N95-R97 VanDerWaalsContact O-N 3.16Å
96Y40.3Very low45.5Very low185 Ų185128.6 Ų128.673%0.72569%0.686SS**  trans-86.566.2164.4-42.9-56.3000110.7N94 A98N94-Y96 WeakPolarHBondContact O-CD2 3.47Å; N94-Y96 WeakPolarHBondContact O-CE2 3.33Å; N94-Y96 PolarHBondContact O-N 3.31Å; Y96-A98 PolarHBondContact O-N 3.45Å
97R35.1Very low46.7Very low201 Ų201125.8 Ų125.876%0.75869%0.685SS**  trans-50.2132.2162.9-173.1179.3-173.395.54.2107.3N95 D99N95-R97 VanDerWaalsContact C-N 3.26Å; N95-R97 PolarHBondContact O-N 3.11Å; N95-R97 VanDerWaalsContact O-N 3.16Å; R97-D99 PolarHBondContact O-N 2.96Å
98A43.6Very low48.3Very low87 Ų87125.6 Ų125.672%0.71968%0.68SS**  trans-67.682.9-179.400000109.9Y96Y96-A98 PolarHBondContact O-N 3.45Å
99D40.7Very low50Low86 Ų86121.4 Ų121.446%0.4666%0.658SS.*  trans-73.8141.5-172.3-165.638.6000110.9R97 T101 N104R97-D99 PolarHBondContact O-N 2.96Å; D99-T101 HydrophobicContact CB-CG2 4.14Å; D99-T101 PolarHBondContact O-N 3.16Å; D99-N104 PolarHBondContact OD2-ND2 3.28Å; D99-N104 VanDerWaalsContact OD2-ND2 3.09Å
100N44.1Very low51.8Low120 Ų120123.2 Ų123.264%0.64265%0.651SS**  trans-80.456-170.6-75.5-38.6000111L102 F103N100-L102 PolarHBondContact O-N 3.36Å; N100-F103 HydrophobicContact CB-CD2 4.34Å; N100-F103 WeakPolarHBondContact O-CB 3.27Å; N100-F103 PolarHBondContact O-N 2.91Å
101T51.5Low53.7Low84 Ų84121.8 Ų121.852%0.51564%0.639SS.*G310 helixtrans-67.2-11-164.655.30000115.6D99 F103 N104D99-T101 HydrophobicContact CB-CG2 4.14Å; D99-T101 PolarHBondContact O-N 3.16Å; T101-F103 PolarHBondContact O-N 3.26Å; T101-N104 HydrophobicContact CG2-CB 4.5Å; T101-N104 CarbonylContact O-C 3.56Å; T101-N104 PolarHBondContact O-N 3.34Å
102L49.8Very low55.9Low152 Ų152123.3 Ų123.380%0.79663%0.63SS**G310 helixtrans-63.7-25.8166.1-149.781.5000112.4N100N100-L102 PolarHBondContact O-N 3.36Å
103F52.9Low57.9Low154 Ų154124.2 Ų124.268%0.67563%0.625SS**G310 helixtrans-96.7-2171.8-64.7-85.3000113.2N100 T101N100-F103 HydrophobicContact CB-CD2 4.34Å; N100-F103 WeakPolarHBondContact O-CB 3.27Å; N100-F103 PolarHBondContact O-N 2.91Å; T101-F103 PolarHBondContact O-N 3.26Å
104N55.1Low59.9Low102 Ų102121.5 Ų121.555%0.54560%0.603SS.*  trans-119.236.6-174.3-145.92000111.3D99 T101 P106D99-N104 PolarHBondContact OD2-ND2 3.28Å; D99-N104 VanDerWaalsContact OD2-ND2 3.09Å; T101-N104 HydrophobicContact CG2-CB 4.5Å; T101-N104 CarbonylContact O-C 3.56Å; T101-N104 PolarHBondContact O-N 3.34Å; N104-P106 WeakPolarHBondContact O-CD 3.23Å
105I67.8Low62Low54 Ų54121.9 Ų121.928%0.27760%0.601SS.*  trans-71.5121.2173.4-58.9175000107.9Q109 M110 Y113I105-Q109 HydrophobicContact CG2-CB 3.75Å; I105-M110 HydrophobicContact CB-CE 4.16Å; I105-M110 HydrophobicContact CG2-CB 4.4Å; I105-Y113 HydrophobicContact CG2-CD2 4.22Å; I105-Y113 HydrophobicContact CG2-CE2 4.33Å
106P76.4Confident64.4Low60 Ų60117.3 Ų117.339%0.3959%0.586SS.*  trans-58.1145.9177.9-25.134.6000111.9N104 E108 Q109 M110N104-P106 WeakPolarHBondContact O-CD 3.23Å; P106-E108 VanDerWaalsContact C-N 3.26Å; P106-E108 PolarHBondContact O-N 2.82Å; P106-E108 VanDerWaalsContact O-N 3.16Å; P106-Q109 HydrophobicContact CB-CG 4.39Å; P106-Q109 HydrophobicContact CG-CG 4.42Å; P106-Q109 WeakPolarHBondContact O-CA 3.47Å; P106-Q109 WeakPolarHBondContact O-CB 3.33Å; P106-Q109 PolarHBondContact O-N 3.1Å; P106-M110 PolarHBondContact O-N 2.86Å
107P74.7Confident66.5Low113 Ų113115.1 Ų115.173%0.73458%0.577SS**Hα-helixtrans-60.1-30.5-17420.9-32.2000114.2M110 H111P107-M110 WeakPolarHBondContact O-CB 3.39Å; P107-M110 PolarHBondContact O-N 2.71Å; P107-H111 PolarHBondContact O-N 3.39Å; P107-H111 VanDerWaalsContact O-N 3.12Å
108E76.2Confident68.7Low173 Ų173107.5 Ų107.581%0.80855%0.549SS*.Hα-helixtrans-61.4-46.3169.4-78.2-164.6120.500112.6P106 M110 H111 K112P106-E108 VanDerWaalsContact C-N 3.26Å; P106-E108 PolarHBondContact O-N 2.82Å; P106-E108 VanDerWaalsContact O-N 3.16Å; E108-M110 VanDerWaalsContact C-N 3.32Å; E108-H111 PolarHBondContact O-N 3.23Å; E108-K112 PolarHBondContact O-N 2.88Å; E108-K112 VanDerWaalsContact O-N 3.13Å
109Q77.7Confident70.6Confident99 Ų99109.2 Ų109.246%0.46354%0.541SS..Hα-helixtrans-67.3-38.2179.5-63.9-172.710.500110.5I105 P106 H111 K112 Y113I105-Q109 HydrophobicContact CG2-CB 3.75Å; P106-Q109 HydrophobicContact CB-CG 4.39Å; P106-Q109 HydrophobicContact CG-CG 4.42Å; P106-Q109 WeakPolarHBondContact O-CA 3.47Å; P106-Q109 WeakPolarHBondContact O-CB 3.33Å; P106-Q109 PolarHBondContact O-N 3.1Å; Q109-H111 VanDerWaalsContact C-N 3.3Å; Q109-H111 PolarHBondContact O-N 2.91Å; Q109-K112 PolarHBondContact O-N 3.28Å; Q109-K112 VanDerWaalsContact O-N 3.14Å; Q109-Y113 HydrophobicContact CB-CD2 4.41Å; Q109-Y113 HydrophobicContact CB-CE2 4.27Å; Q109-Y113 WeakPolarHBondContact O-CD2 3.38Å; Q109-Y113 PolarHBondContact O-N 2.79Å
110M74Confident72.7Confident100 Ų100111.8 Ų111.849%0.49355%0.546SS..Hα-helixtrans-53.8-47172.6-163.979.474.900111.1I105 P106 P107 E108 K112 Y113 Q114I105-M110 HydrophobicContact CB-CE 4.16Å; I105-M110 HydrophobicContact CG2-CB 4.4Å; P106-M110 PolarHBondContact O-N 2.86Å; P107-M110 WeakPolarHBondContact O-CB 3.39Å; P107-M110 PolarHBondContact O-N 2.71Å; E108-M110 VanDerWaalsContact C-N 3.32Å; M110-K112 PolarHBondContact O-N 3.48Å; M110-Y113 PolarHBondContact O-N 3.35Å; M110-Q114 WeakPolarHBondContact O-CB 3.43Å; M110-Q114 PolarHBondContact O-N 2.82Å
111H79.3Confident74.6Confident122 Ų122107.4 Ų107.457%0.56552%0.522SS*.Hα-helixtrans-62.6-41.5177.7-158.996.6000112.1P107 E108 Q109 Q114 Q115P107-H111 PolarHBondContact O-N 3.39Å; P107-H111 VanDerWaalsContact O-N 3.12Å; E108-H111 PolarHBondContact O-N 3.23Å; Q109-H111 VanDerWaalsContact C-N 3.3Å; Q109-H111 PolarHBondContact O-N 2.91Å; H111-Q114 PolarHBondContact O-N 2.89Å; H111-Q115 WeakPolarHBondContact O-CB 3.32Å; H111-Q115 PolarHBondContact O-N 2.79Å
112K83.7Confident75.9Confident156 Ų156107.8 Ų107.868%0.67852%0.518SS*.Hα-helixtrans-64.3-42.7176.5-173.4176.7-178.8176.80112.6E108 Q109 M110 Q115 A116E108-K112 PolarHBondContact O-N 2.88Å; E108-K112 VanDerWaalsContact O-N 3.13Å; Q109-K112 PolarHBondContact O-N 3.28Å; Q109-K112 VanDerWaalsContact O-N 3.14Å; M110-K112 PolarHBondContact O-N 3.48Å; K112-Q115 PolarHBondContact O-N 3.14Å; K112-A116 WeakPolarHBondContact O-CB 3.41Å; K112-A116 PolarHBondContact O-N 3.1Å
113Y80.5Confident77.4Confident149 Ų149103 Ų10358%0.58450%0.495SS*.Hα-helixtrans-65.6-41.4174.8-75.8-63.6000111.7I105 Q109 M110 A116 Y117I105-Y113 HydrophobicContact CG2-CD2 4.22Å; I105-Y113 HydrophobicContact CG2-CE2 4.33Å; Q109-Y113 HydrophobicContact CB-CD2 4.41Å; Q109-Y113 HydrophobicContact CB-CE2 4.27Å; Q109-Y113 WeakPolarHBondContact O-CD2 3.38Å; Q109-Y113 PolarHBondContact O-N 2.79Å; M110-Y113 PolarHBondContact O-N 3.35Å; Y113-A116 PolarHBondContact O-N 3.05Å; Y113-Y117 WeakPolarHBondContact O-CB 3.41Å; Y113-Y117 PolarHBondContact O-N 3.19Å
114Q81.4Confident78.7Confident74 Ų7499.7 Ų99.735%0.34648%0.48SS..Hα-helixtrans-63.6-42.2176.5-173.1174.619.100111.9M110 H111 Y117 Y118M110-Q114 WeakPolarHBondContact O-CB 3.43Å; M110-Q114 PolarHBondContact O-N 2.82Å; H111-Q114 PolarHBondContact O-N 2.89Å; Q114-Y117 PolarHBondContact O-N 3.31Å; Q114-Y118 HydrophobicContact CG-CD2 3.88Å; Q114-Y118 HydrophobicContact CG-CE2 3.57Å; Q114-Y118 VanDerWaalsContact O-CD2 3.23Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.41Å; Q114-Y118 PolarHBondContact O-N 2.84Å
115Q82.2Confident79.7Confident131 Ų131101.6 Ų101.661%0.61248%0.481SS*.Hα-helixtrans-63.9-43.6175.4-171.3-179.511.800111.9H111 K112 Y117 Y118 H119H111-Q115 WeakPolarHBondContact O-CB 3.32Å; H111-Q115 PolarHBondContact O-N 2.79Å; K112-Q115 PolarHBondContact O-N 3.14Å; Q115-Y117 VanDerWaalsContact C-N 3.34Å; Q115-Y117 PolarHBondContact O-N 3.22Å; Q115-Y118 PolarHBondContact O-N 3.5Å; Q115-H119 PolarHBondContact O-N 3.18Å
116A84.8Confident80.2Confident62 Ų62105.5 Ų105.551%0.51250%0.5SS..Hα-helixtrans-63.3-39.2175.500000112.2K112 Y113 H119 Y120K112-A116 WeakPolarHBondContact O-CB 3.41Å; K112-A116 PolarHBondContact O-N 3.1Å; Y113-A116 PolarHBondContact O-N 3.05Å; A116-H119 PolarHBondContact O-N 3.14Å; A116-Y120 PolarHBondContact O-N 3.09Å
117Y84.7Confident80.3Confident138 Ų138109.6 Ų109.654%0.54151%0.514SS..Hα-helixtrans-66.3-43.1176179.9-108.2000112.6Y113 Q114 Q115 H119 Y120 L121Y113-Y117 WeakPolarHBondContact O-CB 3.41Å; Y113-Y117 PolarHBondContact O-N 3.19Å; Q114-Y117 PolarHBondContact O-N 3.31Å; Q115-Y117 VanDerWaalsContact C-N 3.34Å; Q115-Y117 PolarHBondContact O-N 3.22Å; Y117-H119 VanDerWaalsContact C-N 3.34Å; Y117-H119 PolarHBondContact O-N 3.47Å; Y117-Y120 PolarHBondContact O-N 3.16Å; Y117-L121 HydrophobicContact CD1-CD1 4.1Å; Y117-L121 HydrophobicContact CE1-CD1 3.52Å; Y117-L121 HydrophobicContact CE1-CG 4.18Å; Y117-L121 HydrophobicContact CE2-CG 4.38Å; Y117-L121 WeakPolarHBondContact O-CG 3.43Å; Y117-L121 PolarHBondContact O-N 3.12Å
118Y82.3Confident79.7Confident42 Ų42108.3 Ų108.317%0.16550%0.501CS..Hα-helixtrans-63.6-38.4173.3-78.2-56.5000112.4Q114 Q115 L121 Q122 W190Q114-Y118 HydrophobicContact CG-CD2 3.88Å; Q114-Y118 HydrophobicContact CG-CE2 3.57Å; Q114-Y118 VanDerWaalsContact O-CD2 3.23Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.41Å; Q114-Y118 PolarHBondContact O-N 2.84Å; Q115-Y118 PolarHBondContact O-N 3.5Å; Y118-L121 PolarHBondContact O-N 3.17Å; Y118-Q122 WeakPolarHBondContact O-CB 3.44Å; Y118-Q122 PolarHBondContact O-N 3.38Å; Y118-W190 HydrophobicContact CD1-CZ2 4.47Å
119H83.6Confident79Confident123 Ų123103.9 Ų103.957%0.56949%0.487SS*.Hα-helixtrans-64-42.8174-169.8-58000111.6Q115 A116 Y117 Q122 T123Q115-H119 PolarHBondContact O-N 3.18Å; A116-H119 PolarHBondContact O-N 3.14Å; Y117-H119 VanDerWaalsContact C-N 3.34Å; Y117-H119 PolarHBondContact O-N 3.47Å; H119-Q122 PolarHBondContact O-N 3.18Å; H119-T123 PolarHBondContact ND1-OG1 2.93Å; H119-T123 PolarHBondContact O-N 2.96Å; H119-T123 PolarHBondContact O-OG1 2.89Å
120Y84.1Confident77.9Confident139 Ų139105.1 Ų105.155%0.54550%0.504SS..Hα-helixtrans-59.1-47174.6168.7-96.4000111.9A116 Y117 Q122 T123 F124A116-Y120 PolarHBondContact O-N 3.09Å; Y117-Y120 PolarHBondContact O-N 3.16Å; Y120-Q122 VanDerWaalsContact C-N 3.33Å; Y120-Q122 PolarHBondContact O-N 3.35Å; Y120-T123 PolarHBondContact O-N 3.02Å; Y120-F124 WeakPolarHBondContact O-CB 3.17Å; Y120-F124 PolarHBondContact O-N 3.14Å
121L83.2Confident76.7Confident28 Ų28106.6 Ų106.615%0.14751%0.512CS..Hα-helixtrans-61.4-41.2176-71.5179.5000112.1Y117 Y118 F124 Y125Y117-L121 HydrophobicContact CD1-CD1 4.1Å; Y117-L121 HydrophobicContact CE1-CD1 3.52Å; Y117-L121 HydrophobicContact CE1-CG 4.18Å; Y117-L121 HydrophobicContact CE2-CG 4.38Å; Y117-L121 WeakPolarHBondContact O-CG 3.43Å; Y117-L121 PolarHBondContact O-N 3.12Å; Y118-L121 PolarHBondContact O-N 3.17Å; L121-F124 PolarHBondContact O-N 3.32Å; L121-Y125 HydrophobicContact CD2-CE2 4.41Å; L121-Y125 WeakPolarHBondContact O-CD2 3.5Å; L121-Y125 PolarHBondContact O-N 3.07Å
122Q79.9Confident75.1Confident92 Ų92108.1 Ų108.143%0.4353%0.525SS..Hα-helixtrans-62.2-47176.9-178.4175.6-10.700111.4Y118 H119 Y120 M126Y118-Q122 WeakPolarHBondContact O-CB 3.44Å; Y118-Q122 PolarHBondContact O-N 3.38Å; H119-Q122 PolarHBondContact O-N 3.18Å; Y120-Q122 VanDerWaalsContact C-N 3.33Å; Y120-Q122 PolarHBondContact O-N 3.35Å; Q122-M126 HydrophobicContact CG-SD 3.84Å; Q122-M126 WeakPolarHBondContact O-CB 3.45Å; Q122-M126 VanDerWaalsContact O-CG 3.24Å; Q122-M126 WeakPolarHBondContact O-CG 3.32Å; Q122-M126 PolarHBondContact O-N 2.83Å
123T81.7Confident72.9Confident51 Ų51108.1 Ų108.131%0.31353%0.527SS..Hα-helixtrans-59.7-49.2174.6-59.10000110.9H119 Y120 Y125 M126 E127H119-T123 PolarHBondContact ND1-OG1 2.93Å; H119-T123 PolarHBondContact O-N 2.96Å; H119-T123 PolarHBondContact O-OG1 2.89Å; Y120-T123 PolarHBondContact O-N 3.02Å; T123-Y125 PolarHBondContact O-N 2.85Å; T123-M126 PolarHBondContact O-N 2.72Å; T123-E127 HydrophobicContact CG2-CG 4.18Å; T123-E127 WeakPolarHBondContact CG2-OE2 3.5Å; T123-E127 PolarHBondContact O-N 3.28Å
124F80.3Confident70.9Confident85 Ų85106.6 Ų106.637%0.37353%0.533SS..Hα-helixtrans-55.9-47.3-179-179.5-95.4000112.9Y120 L121 M126 N128Y120-F124 WeakPolarHBondContact O-CB 3.17Å; Y120-F124 PolarHBondContact O-N 3.14Å; L121-F124 PolarHBondContact O-N 3.32Å; F124-M126 VanDerWaalsContact C-N 3.35Å; F124-N128 VanDerWaalsContact O-CB 3.28Å; F124-N128 WeakPolarHBondContact O-CB 3.47Å; F124-N128 PolarHBondContact O-N 3.42Å; F124-N128 PolarHBondContact O-ND2 3.32Å; F124-N128 VanDerWaalsContact O-ND2 3.08Å
125Y76.4Confident68.6Low142 Ų142112.4 Ų112.456%0.55756%0.56SS**Hα-helixtrans-77.2-15.4178.6-71.4-60.9000114.4L121 T123L121-Y125 HydrophobicContact CD2-CE2 4.41Å; L121-Y125 WeakPolarHBondContact O-CD2 3.5Å; L121-Y125 PolarHBondContact O-N 3.07Å; T123-Y125 PolarHBondContact O-N 2.85Å
126M76.5Confident66.1Low137 Ų137111.8 Ų111.868%0.67557%0.569SS**Hα-helixtrans-85.1-37.3171.9-75.5179.963.300112.3Q122 T123 F124Q122-M126 HydrophobicContact CG-SD 3.84Å; Q122-M126 WeakPolarHBondContact O-CB 3.45Å; Q122-M126 VanDerWaalsContact O-CG 3.24Å; Q122-M126 WeakPolarHBondContact O-CG 3.32Å; Q122-M126 PolarHBondContact O-N 2.83Å; T123-M126 PolarHBondContact O-N 2.72Å; F124-M126 VanDerWaalsContact C-N 3.35Å
127E78.7Confident63.8Low146 Ų146117.4 Ų117.468%0.68259%0.585SS**Hα-helixtrans-76.8-32.4174.3-68.4-177.2137.500112.2T123 P129T123-E127 HydrophobicContact CG2-CG 4.18Å; T123-E127 WeakPolarHBondContact CG2-OE2 3.5Å; T123-E127 PolarHBondContact O-N 3.28Å; E127-P129 WeakPolarHBondContact O-CD 3.38Å
128N63.5Low61.4Low86 Ų86116.3 Ų116.346%0.4659%0.592SS.*SBendtrans-116.571.6178.5-55.4-93000110.1F124F124-N128 VanDerWaalsContact O-CB 3.28Å; F124-N128 WeakPolarHBondContact O-CB 3.47Å; F124-N128 PolarHBondContact O-N 3.42Å; F124-N128 PolarHBondContact O-ND2 3.32Å; F124-N128 VanDerWaalsContact O-ND2 3.08Å
129P61.2Low59Low79 Ų79122.4 Ų122.451%0.51362%0.622SS.*  trans-58.4145.7164.628.9-34.5000108.6E127 I131E127-P129 WeakPolarHBondContact O-CD 3.38Å; P129-I131 PolarHBondContact O-N 2.85Å
130P54.5Low56.5Low126 Ų126123.7 Ų123.782%0.81863%0.633SS**  trans-67.692.6-177.627.1-34.4000110.7N132P130-N132 PolarHBondContact O-N 3.11Å
131I48.7Very low54.1Low131 Ų131126 Ų12667%0.67264%0.643SS**  trans-60.5131.1172.6-53.1178.8000107.7P129 Q133P129-I131 PolarHBondContact O-N 2.85Å; I131-Q133 HydrophobicContact CB-CG 4.33Å; I131-Q133 HydrophobicContact CG2-CG 4.42Å; I131-Q133 PolarHBondContact O-N 3.25Å
132N44.9Very low51.5Low154 Ų154130.5 Ų130.582%0.82468%0.675SS**  trans-67.684.1168-80.2-39.7000108.9P130 T134P130-N132 PolarHBondContact O-N 3.11Å; N132-T134 PolarHBondContact O-N 2.93Å
133Q37.8Very low49.2Very low155 Ų155135.6 Ų135.672%0.72469%0.692SS**  trans-69.675.5-178.4-72.3-175.1-9.300111.7I131I131-Q133 HydrophobicContact CB-CG 4.33Å; I131-Q133 HydrophobicContact CG2-CG 4.42Å; I131-Q133 PolarHBondContact O-N 3.25Å
134T38.6Very low47.4Very low118 Ų118139.3 Ų139.372%0.72472%0.717SS**  trans-99.6133.3149.1-13.90000105.3N132N132-T134 PolarHBondContact O-N 2.93Å
135E33.1Very low45.1Very low195 Ų195141.6 Ų141.691%0.91172%0.724SS**SBendtrans66.382.3175-51.9-176.6123.600117.8
136C29.7Very low43.1Very low119 Ų119141 Ų14180%0.80472%0.722SS**  trans-164.4115131.1-154.70000107.2
137H35.9Very low41Very low179 Ų179144.6 Ų144.683%0.82973%0.734SS**  50.1130.584.2-115.9-82000115.2
138T34.4Very low38.8Very low115 Ų115140 Ų14071%0.70673%0.726SS**  trans-80.3129-169510000113.6
139Q32.3Very low37.6Very low170 Ų170142.9 Ų142.979%0.79475%0.747SS**  -177.6157.6127.3-99.21548.800112.7
140D31.9Very low36.2Very low150 Ų150142.5 Ų142.580%0.80276%0.757SS**  trans38.6101.8163.1-58.8-42.7000121
141Y32.2Very low35.3Very low188 Ų188143.1 Ų143.174%0.73776%0.759SS**  trans-92.7103.7156.2-82.9-88.2000110.5
142C28.1Very low34.3Very low123 Ų123144 Ų14483%0.83177%0.77SS**PPolyproline II helixtrans-83.2126.1170.2-169.80000110.3
143Y32.6Very low33.7Very low198 Ų198144.1 Ų144.178%0.77677%0.768SS**PPolyproline II helixtrans-94.2122.7174.7-77.8-92000110.7
144P43.4Very low33.2Very low130 Ų130145.5 Ų145.584%0.84477%0.774SS**PPolyproline II helixtrans-70.4139.2173.128.9-33.3000111.2
145Y33.1Very low32.9Very low132 Ų132147.5 Ų147.552%0.51878%0.777SS.*  trans-108.3147-171.8-144.1-55.9000110.6D15D15-Y145 HydrophobicContact CB-CE2 4.35Å
146Y34.3Very low32.9Very low130 Ų130145.6 Ų145.651%0.5177%0.772SS.*  trans71121.6169.1-67.6-68.9000118.6K16K16-Y146 WeakPolarHBondContact CE-OH 3.28Å; K16-Y146 VanDerWaalsContact CG-OH 3.3Å; K16-Y146 WeakPolarHBondContact CG-OH 3.09Å; K16-Y146 PolarHBondContact NZ-OH 3.45Å
147F32.4Very low33Very low212 Ų212146.1 Ų146.193%0.9377%0.774SS**  -136.4130.6119.9-121.3-84.9000109.5
148G32.6Very low32.9Very low51 Ų51140.8 Ų140.853%0.52677%0.768SS.*  trans179.9136.4-17600000112.1
149T38.3Very low32.8Very low146 Ų146141.9 Ų141.990%0.89677%0.769SS**SBendtrans58159.4-151.582.70000112.4
150G32.1Very low32.9Very low70 Ų70144 Ų14472%0.72277%0.771SS**  trans-155.3155.4-168.700000114.6
151T34.2Very low33Very low140 Ų140143.5 Ų143.586%0.85977%0.769SS**  trans-143140.8166.4220000107.3
152V28.4Very low33Very low148 Ų148144.1 Ų144.190%0.89778%0.775SS**  trans-80.7125.6174-76.30000109.4
153M31.3Very low33.8Very low158 Ų158144.3 Ų144.378%0.77878%0.775SS**  trans-12899.8167.5-93.5-67.817900108.5M155M153-M155 HydrophobicContact SD-CE 3.86Å
154Q28.8Very low33.8Very low184 Ų184142.2 Ų142.286%0.8678%0.778SS**  trans-90.3116.2174.8-179.2179.223.700108
155M31.7Very low33.5Very low159 Ų159143.7 Ų143.778%0.78378%0.778SS**  trans-131.1146.3173.2-68.6-163.4-175.400111.2M153M153-M155 HydrophobicContact SD-CE 3.86Å
156L33Very low33.8Very low155 Ų155141.1 Ų141.181%0.81279%0.785SS**  trans-80.2157.4-173.5-95.558.1000112.3
157P33.1Very low33.9Very low131 Ų131145.6 Ų145.685%0.85180%0.802SS**  trans-73.6132.7179.530.3-34.6000112.2
158G32.8Very low34.6Very low67 Ų67141.9 Ų141.969%0.69180%0.796SS**  trans-109.6123.6172.600000111.5
159N31.7Very low34.9Very low137 Ų137144.2 Ų144.273%0.73380%0.802SS**  trans-90132.6-176.5-175.563.6000111.9N161N159-N161 PolarHBondContact ND2-OD1 3.34Å
160Y34.4Very low34.7Very low214 Ų214144.5 Ų144.584%0.83979%0.793SS**  trans-132.4137.4172.2-78.2-77.7000111.3
161N34.3Very low34.9Very low140 Ų140148 Ų14875%0.74980%0.801SS**PPolyproline II helixtrans-89.3148.3-167.6-65.8-34000113.6N159N159-N161 PolarHBondContact ND2-OD1 3.34Å
162F32.6Very low35Very low201 Ų201148.9 Ų148.988%0.88280%0.795SS**PPolyproline II helixtrans-82.5144.6163.3-67.7-94.9000111.6
163P45.5Very low35.4Very low128 Ų128147.7 Ų147.783%0.83179%0.794SS**PPolyproline II helixtrans-86.6141.8152.4-2.221.9000110.3
164N32.7Very low35.6Very low154 Ų154145.7 Ų145.782%0.82480%0.795SS**  trans-112.6145.2-172.7-1598.9000111.6
165N37.3Very low35.9Very low160 Ų160145.2 Ų145.286%0.85680%0.798SS**  trans-172.7135.4165.3-99-24.3000108.8
166A37.6Very low36.2Very low79 Ų79148.5 Ų148.565%0.65380%0.801SS**  cis-155.2173.8-400000111.1
167Y37.2Very low36.4Very low224 Ų224150 Ų15088%0.87880%0.804SS**  trans1.1143.5156.8-78.8-101.9000119.2
168V46.2Very low36.7Very low133 Ų133149.2 Ų149.281%0.80680%0.797SS**  cis-149.2177.136-112.20000111
169P40.5Very low36.8Very low100 Ų100152.4 Ų152.465%0.64980%0.803SS**  trans-122.6170.9-143.845.7-37.5000119.1
170Q32.7Very low37.3Very low152 Ų152150.9 Ų150.971%0.7180%0.799SS**  trans50.6117.4140.5-73.1167.6-14.900121.3
171T36.4Very low37.7Very low145 Ų145148 Ų14889%0.8980%0.798SS**  trans-124.9153130.752.50000109.4
172H36.6Very low38.1Very low158 Ų158145 Ų14573%0.73179%0.788SS**  trans-106.7128.3-167.3-71.2-127.8000112.4
173S36.2Very low38.7Very low123 Ų123139.9 Ų139.986%0.8678%0.777SS**  trans-145.5115.3159.151.80000110.1
174S37Very low38.9Very low116 Ų116137 Ų13781%0.81176%0.761SS**  trans-101.3119.8-171.555.40000112.1
175L34.5Very low40Very low174 Ų174132.5 Ų132.591%0.91174%0.741SS**  trans-141.7156.7154.9-144.967.8000111.3
176R38.5Very low40.8Very low227 Ų227130.2 Ų130.286%0.85773%0.729SS**  trans-62.8144.6-157.6-66.7176.7171.1-172.8-4.3114.5T178R176-T178 PolarHBondContact O-N 2.66Å
177Q37.6Very low41.3Very low186 Ų186130.8 Ų130.887%0.86972%0.719SS**  trans-64.4125.6155.3-67172.7-8.500109.8
178T37.6Very low42.4Very low116 Ų116126.5 Ų126.571%0.71271%0.707SS**  trans-134.286.7153.549.80000108.2R176 T180R176-T178 PolarHBondContact O-N 2.66Å; T178-T180 PolarHBondContact O-N 3.22Å; T178-T180 VanDerWaalsContact O-N 3.11Å
179T36.2Very low43.3Very low133 Ų133125.5 Ų125.582%0.81669%0.693SS**  trans-68.7101.6171.243.30000109.7
180T42.3Very low44.7Very low106 Ų106126 Ų12665%0.6568%0.682SS**  trans-122129.7168.752.70000109.6T178 S182T178-T180 PolarHBondContact O-N 3.22Å; T178-T180 VanDerWaalsContact O-N 3.11Å; T180-S182 PolarHBondContact O-N 2.91Å
181N42.4Very low46.4Very low153 Ų153121.1 Ų121.182%0.81866%0.661SS**  trans-73.389.5-176.3-67.2-25.3000110.4
182S43.3Very low48.1Very low76 Ų76120.2 Ų120.253%0.53165%0.646SS.*  trans-103.1-1.3-174.354.40000114.6T180 S184 S185T180-S182 PolarHBondContact O-N 2.91Å; S182-S184 VanDerWaalsContact C-N 3.33Å; S182-S184 PolarHBondContact O-N 2.83Å; S182-S185 PolarHBondContact O-OG 3.12Å; S182-S185 VanDerWaalsContact O-OG 3.1Å
183S45.1Very low49.6Very low94 Ų94121.3 Ų121.366%0.65764%0.644SS**Hα-helixtrans-71.6-22.8177.6460000113.9M187S183-M187 PolarHBondContact O-N 3.44Å
184S49.5Very low51.2Low69 Ų69116.5 Ų116.548%0.48361%0.612SS.*Hα-helixtrans-72.4-36.2-178.953.70000113.9S182 M187 Q188S182-S184 VanDerWaalsContact C-N 3.33Å; S182-S184 PolarHBondContact O-N 2.83Å; S184-M187 PolarHBondContact O-N 3.28Å; S184-Q188 PolarHBondContact O-N 3.35Å; S184-Q188 VanDerWaalsContact O-N 3.11Å
185S54.6Low52.6Low59 Ų59115.3 Ų115.341%0.41359%0.593SS.*Hα-helixtrans-70-44.7-178.254.40000112.1S182 M187 Q188 Q189S182-S185 PolarHBondContact O-OG 3.12Å; S182-S185 VanDerWaalsContact O-OG 3.1Å; S185-M187 PolarHBondContact O-N 2.89Å; S185-Q188 PolarHBondContact O-N 3.26Å; S185-Q188 VanDerWaalsContact O-N 3.11Å; S185-Q189 PolarHBondContact O-N 2.85Å; S185-Q189 VanDerWaalsContact O-N 3.11Å
186N54.9Low54.2Low111 Ų111109.8 Ų109.859%0.59457%0.573SS**Hα-helixtrans-58.3-38.1172.1-71.7-23.2000111.4Q188 Q189 W190N186-Q188 VanDerWaalsContact C-N 3.33Å; N186-Q188 PolarHBondContact O-N 3.41Å; N186-Q189 PolarHBondContact O-N 3.23Å; N186-W190 PolarHBondContact O-N 2.9Å; N186-W190 VanDerWaalsContact O-N 3.16Å
187M47.6Very low55.5Low91 Ų91104 Ų10445%0.44856%0.558SS.*Hα-helixtrans-70.5-25177.8-162.7167.671.300113.4S183 S184 S185 I191S183-M187 PolarHBondContact O-N 3.44Å; S184-M187 PolarHBondContact O-N 3.28Å; S185-M187 PolarHBondContact O-N 2.89Å; M187-I191 WeakPolarHBondContact O-CD1 3.37Å; M187-I191 VanDerWaalsContact O-CG1 3.27Å; M187-I191 WeakPolarHBondContact O-CG1 3.18Å
188Q61.1Low56.8Low134 Ų13498.9 Ų98.963%0.62654%0.537SS*.Hα-helixtrans-77.1-38.4170.3-71.2-173.9-10.800112.2S184 S185 N186 I191 Q192S184-Q188 PolarHBondContact O-N 3.35Å; S184-Q188 VanDerWaalsContact O-N 3.11Å; S185-Q188 PolarHBondContact O-N 3.26Å; S185-Q188 VanDerWaalsContact O-N 3.11Å; N186-Q188 VanDerWaalsContact C-N 3.33Å; N186-Q188 PolarHBondContact O-N 3.41Å; Q188-I191 PolarHBondContact O-N 3.45Å; Q188-Q192 WeakPolarHBondContact O-CG 3.22Å; Q188-Q192 PolarHBondContact O-N 3.49Å; Q188-Q192 VanDerWaalsContact O-N 3.14Å
189Q65.5Low57.9Low112 Ų11297 Ų9752%0.52353%0.528SS..Hα-helixtrans-65.6-39179.4-69.6-168.47.500113.6S185 N186 R193S185-Q189 PolarHBondContact O-N 2.85Å; S185-Q189 VanDerWaalsContact O-N 3.11Å; N186-Q189 PolarHBondContact O-N 3.23Å; Q189-R193 PolarHBondContact O-N 3.4Å; Q189-R193 VanDerWaalsContact O-N 3.11Å
190W69.9Low59.1Low110 Ų11097 Ų9742%0.41752%0.523SS..Hα-helixtrans-69.8-36.1178.1101.9-72.6000112.2Y118 N186 R193 A194Y118-W190 HydrophobicContact CD1-CZ2 4.47Å; N186-W190 PolarHBondContact O-N 2.9Å; N186-W190 VanDerWaalsContact O-N 3.16Å; W190-R193 PolarHBondContact O-N 3.42Å; W190-A194 WeakPolarHBondContact O-CB 3.45Å; W190-A194 PolarHBondContact O-N 2.9Å
191I68.5Low59.4Low50 Ų50101.6 Ų101.626%0.25653%0.529SS..Hα-helixtrans-61.8-47175.5-69173.1000110.4M187 Q188 R193 A194 Q195M187-I191 WeakPolarHBondContact O-CD1 3.37Å; M187-I191 VanDerWaalsContact O-CG1 3.27Å; M187-I191 WeakPolarHBondContact O-CG1 3.18Å; Q188-I191 PolarHBondContact O-N 3.45Å; I191-R193 PolarHBondContact O-N 3.45Å; I191-A194 PolarHBondContact O-N 3.1Å; I191-Q195 HydrophobicContact CG2-CG 4.41Å; I191-Q195 WeakPolarHBondContact O-CB 3.2Å; I191-Q195 VanDerWaalsContact O-CG 3.32Å; I191-Q195 WeakPolarHBondContact O-CG 3.27Å; I191-Q195 PolarHBondContact O-N 3.37Å
192Q71.4Confident59.3Low126 Ų12697.1 Ų97.159%0.58952%0.519SS*.Hα-helixtrans-60.3-43.1176.8-71.4176.1-300112Q188 A196Q188-Q192 WeakPolarHBondContact O-CG 3.22Å; Q188-Q192 PolarHBondContact O-N 3.49Å; Q188-Q192 VanDerWaalsContact O-N 3.14Å; Q192-A196 WeakPolarHBondContact O-CB 3.44Å; Q192-A196 PolarHBondContact O-N 2.83Å
193R68.5Low59.7Low182 Ų18298.1 Ų98.169%0.68752%0.521SS*.Hα-helixtrans-63.9-42.4174.4-94.7-171.7165.2107.5-2.4113Q189 W190 I191 A196 L197Q189-R193 PolarHBondContact O-N 3.4Å; Q189-R193 VanDerWaalsContact O-N 3.11Å; W190-R193 PolarHBondContact O-N 3.42Å; I191-R193 PolarHBondContact O-N 3.45Å; R193-A196 PolarHBondContact O-N 3.25Å; R193-L197 WeakPolarHBondContact O-CB 3.45Å; R193-L197 WeakPolarHBondContact O-CG 3.39Å; R193-L197 PolarHBondContact O-N 3.49Å
194A68.4Low59.4Low22 Ų22101.3 Ų101.318%0.18252%0.524CS..Hα-helixtrans-63.9-43.6178.400000111.6W190 I191 L197 L198W190-A194 WeakPolarHBondContact O-CB 3.45Å; W190-A194 PolarHBondContact O-N 2.9Å; I191-A194 PolarHBondContact O-N 3.1Å; A194-L197 PolarHBondContact O-N 3.45Å; A194-L198 WeakPolarHBondContact O-CB 3.36Å; A194-L198 VanDerWaalsContact O-CG 3.3Å; A194-L198 WeakPolarHBondContact O-CG 3.38Å; A194-L198 PolarHBondContact O-N 3.19Å
195Q66.6Low58.8Low90 Ų90106 Ų10642%0.42154%0.543SS..Hα-helixtrans-63.4-43.6176.1-71.1173.1-300112I191 L197 L198 S199I191-Q195 HydrophobicContact CG2-CG 4.41Å; I191-Q195 WeakPolarHBondContact O-CB 3.2Å; I191-Q195 VanDerWaalsContact O-CG 3.32Å; I191-Q195 WeakPolarHBondContact O-CG 3.27Å; I191-Q195 PolarHBondContact O-N 3.37Å; Q195-L197 VanDerWaalsContact C-N 3.35Å; Q195-L197 PolarHBondContact O-N 3.47Å; Q195-L198 PolarHBondContact O-N 3.35Å; Q195-S199 PolarHBondContact O-N 3.49Å; Q195-S199 PolarHBondContact O-OG 3.02Å
196A69.4Low57.7Low58 Ų58106.1 Ų106.148%0.47955%0.554SS.*Hα-helixtrans-65.8-32.9176.600000113.5Q192 R193 S199 N200Q192-A196 WeakPolarHBondContact O-CB 3.44Å; Q192-A196 PolarHBondContact O-N 2.83Å; R193-A196 PolarHBondContact O-N 3.25Å; A196-S199 PolarHBondContact O-OG 2.97Å; A196-S199 VanDerWaalsContact O-OG 3.13Å; A196-N200 WeakPolarHBondContact O-CB 3.44Å; A196-N200 PolarHBondContact O-N 3.37Å
197L65.9Low56.5Low105 Ų105107.1 Ų107.155%0.5556%0.559SS.*Hα-helixtrans-70.6-44.7173-76.4167.7000111.5R193 A194 Q195 S199 N200 W201R193-L197 WeakPolarHBondContact O-CB 3.45Å; R193-L197 WeakPolarHBondContact O-CG 3.39Å; R193-L197 PolarHBondContact O-N 3.49Å; A194-L197 PolarHBondContact O-N 3.45Å; Q195-L197 VanDerWaalsContact C-N 3.35Å; Q195-L197 PolarHBondContact O-N 3.47Å; L197-S199 PolarHBondContact O-N 3.16Å; L197-N200 PolarHBondContact O-N 3.01Å; L197-W201 PolarHBondContact O-N 3.36Å; L197-W201 VanDerWaalsContact O-N 3.08Å
198L65.3Low55.9Low80 Ų80111.8 Ų111.842%0.41958%0.58SS.*Hα-helixtrans-65.6-37.1-178.8-72.4168.5000113.1A194 Q195 W201 V203A194-L198 WeakPolarHBondContact O-CB 3.36Å; A194-L198 VanDerWaalsContact O-CG 3.3Å; A194-L198 WeakPolarHBondContact O-CG 3.38Å; A194-L198 PolarHBondContact O-N 3.19Å; Q195-L198 PolarHBondContact O-N 3.35Å; L198-W201 PolarHBondContact O-N 3.12Å; L198-V203 HydrophobicContact CD2-CG2 4.48Å; L198-V203 PolarHBondContact O-N 3.08Å
199S60.1Low54.6Low75 Ų75115 Ų11552%0.52459%0.587SS.*Hα-helixtrans-67.1-41.8173.659.60000111.9Q195 A196 L197 W201 G202Q195-S199 PolarHBondContact O-N 3.49Å; Q195-S199 PolarHBondContact O-OG 3.02Å; A196-S199 PolarHBondContact O-OG 2.97Å; A196-S199 VanDerWaalsContact O-OG 3.13Å; L197-S199 PolarHBondContact O-N 3.16Å; S199-W201 PolarHBondContact O-N 3.31Å; S199-G202 PolarHBondContact O-N 3.18Å; S199-G202 VanDerWaalsContact O-N 3.1Å
200N60.1Low53Low135 Ų135116.7 Ų116.772%0.72259%0.594SS**Hα-helixtrans-69.2-15.5177.4-165.460000113.9A196 L197A196-N200 WeakPolarHBondContact O-CB 3.44Å; A196-N200 PolarHBondContact O-N 3.37Å; L197-N200 PolarHBondContact O-N 3.01Å
201W49.2Very low51.1Low202 Ų202121.9 Ų121.977%0.76561%0.614SS**THydrogen-bonded Turntrans-91.55.1172.7-82.959.8000113.7L197 L198 S199 V203L197-W201 PolarHBondContact O-N 3.36Å; L197-W201 VanDerWaalsContact O-N 3.08Å; L198-W201 PolarHBondContact O-N 3.12Å; S199-W201 PolarHBondContact O-N 3.31Å; W201-V203 HydrophobicContact CB-CG2 4.06Å; W201-V203 PolarHBondContact O-N 3.22Å
202G41.4Very low49.6Very low59 Ų59128.7 Ų128.761%0.60865%0.645SS**THydrogen-bonded Turntrans72.211.4175.300000115.1S199 F204S199-G202 PolarHBondContact O-N 3.18Å; S199-G202 VanDerWaalsContact O-N 3.1Å; G202-F204 PolarHBondContact O-N 3.36Å
203V50.2Low48Very low97 Ų97126.4 Ų126.459%0.58865%0.647SS**  trans-68.5-16.8-178-172.90000112.1L198 W201L198-V203 HydrophobicContact CD2-CG2 4.48Å; L198-V203 PolarHBondContact O-N 3.08Å; W201-V203 HydrophobicContact CB-CG2 4.06Å; W201-V203 PolarHBondContact O-N 3.22Å
204F39.1Very low46.4Very low160 Ų160124.5 Ų124.570%0.70265%0.651SS**  trans-113.587.6174-88.8-94.7000111.8G202G202-F204 PolarHBondContact O-N 3.36Å
205N36.6Very low44.8Very low168 Ų168131.9 Ų131.990%0.89868%0.681SS**  trans-159.997.2147.2-126.6-17.4000111.3
206G32.2Very low43.4Very low62 Ų62133.9 Ų133.964%0.63970%0.7SS**  trans-110.9143.5177.100000112.2
207N29.7Very low42.2Very low131 Ų131138.7 Ų138.770%0.70172%0.716SS**  trans70.188.5163-51.7-26.6000118.2
208Q35.9Very low41.1Very low189 Ų189138.9 Ų138.988%0.88372%0.724SS**  trans-153.9152.1148-112.5-179.221.800111.9
209R32.5Very low39.7Very low203 Ų203141.6 Ų141.677%0.76674%0.739SS**  trans69.7100.1-178.8-46.8-68.3-74.8-176.2-10.6114
210Q32.2Very low38.8Very low147 Ų147145.9 Ų145.969%0.68775%0.75SS**  68.8116.484.9-69.7172.7-82.300113.3
211R28.9Very low37.5Very low218 Ų218146.8 Ų146.882%0.82376%0.755SS**  cis94.285.118.2-159.2-161.2-150.4-141.810.7115.7
212E37.9Very low37Very low194 Ų194140.6 Ų140.691%0.90775%0.754SS**  trans-176.2146.6163.5-97.9147-158.700106.1
213A37.2Very low36.9Very low78 Ų78143.2 Ų143.265%0.64576%0.758SS**  cis-156.7156-16.200000110.5
214D34.8Very low36.1Very low142 Ų142144.9 Ų144.976%0.75976%0.764SS**  trans44.8121.8148.2-48.4-13.4000121.2
215E35.3Very low36Very low176 Ų176143.9 Ų143.982%0.82276%0.761SS**  67.3139.288.8-69.5-170.85000115
216V38.2Very low35.8Very low133 Ų133145.9 Ų145.981%0.80676%0.756SS**  cis-144.8176.543172.80000112.5
217L42.7Very low36Very low159 Ų159147.4 Ų147.483%0.83276%0.763SS**  trans-82.7172.4-168.9-99.977.7000118.8
218P43.5Very low36.3Very low108 Ų108146 Ų14670%0.70176%0.755SS**  trans-113.7-174.9-173.845-36000115.4
219N36.4Very low36.2Very low137 Ų137142.9 Ų142.973%0.73374%0.741SS**  trans-172.9172.5144.3-105.514.7000108.8
220E40.1Very low36.5Very low165 Ų165138.9 Ų138.977%0.77173%0.733SS**  cis-145.5-144.27.6-144.4150.890.900112.3
221D34.1Very low36.6Very low154 Ų154137.8 Ų137.882%0.82473%0.728SS**  trans-108.7170.2-159.7-89.8-59.1000118.9
222G38.2Very low36.9Very low72 Ų72131.7 Ų131.774%0.74272%0.717SS**  trans135141.4153.100000118.2
223V38.7Very low37Very low115 Ų115131.7 Ų131.770%0.69772%0.717SS**  -172130.1-70.3150.10000109.8
224N33.1Very low37.3Very low131 Ų131131.7 Ų131.770%0.70172%0.717SS**  trans65159.2162.8-69-25.7000119.4
225Q36.9Very low37.6Very low140 Ų140128 Ų12865%0.65471%0.706SS**  cis-165.9151.4-19.2-114.2175.550.900113.5
226R33.5Very low37.9Very low210 Ų210128 Ų12879%0.79271%0.706SS**  trans57.9127.5131.4-169.6-176.4-165.2156.54.8123.8
227A36.9Very low38Very low94 Ų94130.2 Ų130.278%0.77771%0.708SS**  -178.8156.6128.800000113.3
228D35.1Very low38.1Very low101 Ų101127.5 Ų127.554%0.5469%0.692SS.*  trans-127.2173.9-165.8-56.2-76.7000115.8
229Q34.4Very low38.4Very low124 Ų124127.1 Ų127.158%0.57969%0.687SS**  trans84.2162.3165.2-44.6-149.262.700117.1M1M1-Q229 WeakPolarHBondContact SD-CA 3.42Å
230I37.6Very low38.6Very low119 Ų119126.9 Ų126.961%0.6169%0.686SS**  cis-154159.86.6-137.1163.6000106.9
231Q34.6Very low38.7Very low123 Ų123124.7 Ų124.758%0.57568%0.679SS**  cis-162.3161.1-0.7-158.552.1-9.400110.2
232P36.2Very low39.1Very low90 Ų90120.4 Ų120.458%0.58466%0.656SS**  trans-102.1127-174.435.7-31.1000116.5
233Q39.4Very low39.3Very low195 Ų195120.1 Ų120.191%0.91165%0.647SS**  trans-140.1-21.8165.9-97.3177.8-22.800115.1A235Q233-A235 PolarHBondContact O-N 2.97Å
234A43.4Very low39.7Very low77 Ų77120.9 Ų120.964%0.63665%0.646SS**  trans-75.223.3-176.400000115.5M238A234-M238 HydrophobicContact CB-CE 4.21Å; A234-M238 VanDerWaalsContact O-CE 3.27Å; A234-M238 WeakPolarHBondContact O-CE 3.17Å
235A41.6Very low40.1Very low66 Ų66124.1 Ų124.155%0.54565%0.648SS.*THydrogen-bonded Turntrans-83.3-15.9-161.700000115.6Q233 V239Q233-A235 PolarHBondContact O-N 2.97Å; A235-V239 WeakPolarHBondContact O-CG2 3.37Å
236Q41.5Very low40.4Very low175 Ų175123.4 Ų123.482%0.81865%0.649SS**THydrogen-bonded Turntrans-93.8-43.9-172.1-73.8179.1-17.300113.9M238 V239Q236-M238 VanDerWaalsContact C-N 3.29Å; Q236-M238 PolarHBondContact O-N 3.47Å; Q236-V239 WeakPolarHBondContact O-CB 3.4Å; Q236-V239 PolarHBondContact O-N 3.01Å
237E40.8Very low40.8Very low179 Ų179120.6 Ų120.684%0.83665%0.649SS**Hα-helixtrans-68.3-26.7177.8-71.6-177.896.600113.4V239E237-V239 PolarHBondContact O-N 2.98Å
238M43.7Very low40.9Very low103 Ų103123 Ų12351%0.50765%0.649SS.*Hα-helixtrans-63.8-25.9173.6-105-174.7-74.300113.2A234 Q236 N242A234-M238 HydrophobicContact CB-CE 4.21Å; A234-M238 VanDerWaalsContact O-CE 3.27Å; A234-M238 WeakPolarHBondContact O-CE 3.17Å; Q236-M238 VanDerWaalsContact C-N 3.29Å; Q236-M238 PolarHBondContact O-N 3.47Å; M238-N242 WeakPolarHBondContact O-CB 3.3Å; M238-N242 PolarHBondContact O-N 3.43Å; M238-N242 PolarHBondContact O-ND2 3.41Å; M238-N242 VanDerWaalsContact O-ND2 3.16Å
239V49.7Very low41.3Very low99 Ų99125.7 Ų125.760%0.665%0.652SS**Hα-helixtrans-66.1-46.6-175.4179.20000111.4A235 Q236 E237 A243A235-V239 WeakPolarHBondContact O-CG2 3.37Å; Q236-V239 WeakPolarHBondContact O-CB 3.4Å; Q236-V239 PolarHBondContact O-N 3.01Å; E237-V239 PolarHBondContact O-N 2.98Å; V239-A243 WeakPolarHBondContact O-CB 3.47Å; V239-A243 PolarHBondContact O-N 3.48Å; V239-A243 VanDerWaalsContact O-N 3.08Å
240L40.9Very low41.5Very low133 Ų133124.6 Ų124.670%0.69666%0.655SS**Hα-helixtrans-70.9-39.7-176.2-170.763.9000112.1A243L240-A243 PolarHBondContact O-N 3.35Å
241N43Very low41.8Very low119 Ų119121.8 Ų121.864%0.63664%0.642SS**Hα-helixtrans-72.8-37.8179.7-123.6-48.9000112.2I244 R245N241-I244 PolarHBondContact O-N 3.05Å; N241-R245 PolarHBondContact O-N 3.25Å
242N42.6Very low42.3Very low64 Ų64121.6 Ų121.634%0.34264%0.641SS.*Hα-helixtrans-67.4-35.5174.3-70-18000112M238 I244 R245 N246M238-N242 WeakPolarHBondContact O-CB 3.3Å; M238-N242 PolarHBondContact O-N 3.43Å; M238-N242 PolarHBondContact O-ND2 3.41Å; M238-N242 VanDerWaalsContact O-ND2 3.16Å; N242-I244 VanDerWaalsContact C-N 3.29Å; N242-I244 PolarHBondContact O-N 3.48Å; N242-R245 PolarHBondContact O-N 3.08Å; N242-N246 VanDerWaalsContact O-CB 3.26Å; N242-N246 WeakPolarHBondContact O-CB 3.49Å; N242-N246 PolarHBondContact O-N 2.95Å; N242-N246 PolarHBondContact O-ND2 3.4Å
243A41.4Very low42.6Very low66 Ų66123.1 Ų123.155%0.54564%0.64SS.*Hα-helixtrans-60-37178.400000113.1V239 L240V239-A243 WeakPolarHBondContact O-CB 3.47Å; V239-A243 PolarHBondContact O-N 3.48Å; V239-A243 VanDerWaalsContact O-N 3.08Å; L240-A243 PolarHBondContact O-N 3.35Å
244I47.7Very low43.1Very low131 Ų131118.1 Ų118.167%0.67262%0.622SS**Hα-helixtrans-78.7-36.2178-61.4174.8000111N241 N242N241-I244 PolarHBondContact O-N 3.05Å; N242-I244 VanDerWaalsContact C-N 3.29Å; N242-I244 PolarHBondContact O-N 3.48Å
245R41.1Very low43Very low199 Ų199120.8 Ų120.875%0.75163%0.626SS**Hα-helixtrans-84.2-8.2-175.6-144.6176.375.8-179.64.4115.2N241 N242N241-R245 PolarHBondContact O-N 3.25Å; N242-R245 PolarHBondContact O-N 3.08Å
246N44.2Very low43.1Very low124 Ų124121.2 Ų121.266%0.66364%0.637SS**THydrogen-bonded Turntrans-96.51.6-179.1-72.1-9.4000114.4N242 D248N242-N246 VanDerWaalsContact O-CB 3.26Å; N242-N246 WeakPolarHBondContact O-CB 3.49Å; N242-N246 PolarHBondContact O-N 2.95Å; N242-N246 PolarHBondContact O-ND2 3.4Å; N246-D248 VanDerWaalsContact C-N 3.27Å; N246-D248 PolarHBondContact O-N 3.18Å
247N40.1Very low43.3Very low151 Ų151116.9 Ų116.981%0.80762%0.622SS**SBendtrans-85.88.7-179.6-164.140.4000113.9
248D41Very low43.5Very low144 Ų144111.1 Ų111.177%0.7761%0.611SS**  trans-137.759.5-167.3-159.87.3000113N246N246-D248 VanDerWaalsContact C-N 3.27Å; N246-D248 PolarHBondContact O-N 3.18Å
249R42.7Very low43.7Very low158 Ų158112.2 Ų112.260%0.59662%0.619SS**  trans-155.6100.3166-107.1178.968.467.54.9111.2D251 E252R249-D251 VanDerWaalsContact CZ-CG 3.5Å; R249-D251 IonicContact CZ-OD1 3.67Å; R249-D251 IonicContact CZ-OD2 3.1Å; R249-D251 IonicContact NE-OD1 2.73Å; R249-D251 IonicContact NH1-OD1 2.66Å; R249-D251 PolarHBondContact NH1-OD1 2.95Å; R249-D251 VanDerWaalsContact NH1-OD1 3.08Å; R249-D251 IonicContact NH1-OD2 3.08Å; R249-D251 PolarHBondContact NH1-OD2 3.37Å; R249-D251 IonicContact NH2-OD1 3.11Å; R249-D251 PolarHBondContact NH2-OD1 3.34Å; R249-D251 IonicContact NH2-OD2 3.27Å; R249-D251 PolarHBondContact NH2-OD2 2.97Å; R249-E252 IonicContact CZ-OE1 2.83Å; R249-E252 IonicContact NH2-OE1 2.7Å; R249-E252 PolarHBondContact NH2-OE1 3.34Å
250P39.1Very low44Very low101 Ų101112.8 Ų112.866%0.65662%0.616SS**  trans-108.256.8-176.539.6-33.2000113.3
251D42Very low45Very low61 Ų61110.6 Ų110.633%0.32661%0.605SS.*  trans-132-7.8-166.860.3-56.5000118.2R249 V254R249-D251 VanDerWaalsContact CZ-CG 3.5Å; R249-D251 IonicContact CZ-OD1 3.67Å; R249-D251 IonicContact CZ-OD2 3.1Å; R249-D251 IonicContact NE-OD1 2.73Å; R249-D251 IonicContact NH1-OD1 2.66Å; R249-D251 PolarHBondContact NH1-OD1 2.95Å; R249-D251 VanDerWaalsContact NH1-OD1 3.08Å; R249-D251 IonicContact NH1-OD2 3.08Å; R249-D251 PolarHBondContact NH1-OD2 3.37Å; R249-D251 IonicContact NH2-OD1 3.11Å; R249-D251 PolarHBondContact NH2-OD1 3.34Å; R249-D251 IonicContact NH2-OD2 3.27Å; R249-D251 PolarHBondContact NH2-OD2 2.97Å; D251-V254 WeakPolarHBondContact O-CB 3.38Å; D251-V254 WeakPolarHBondContact O-CG2 3.49Å; D251-V254 PolarHBondContact O-N 3.4Å
252E46Very low46.5Very low119 Ų119111 Ų11156%0.55661%0.606SS**G310 helixtrans-87.1-15.4-167.8-62.1-162.1-164.400117R249 V254R249-E252 IonicContact CZ-OE1 2.83Å; R249-E252 IonicContact NH2-OE1 2.7Å; R249-E252 PolarHBondContact NH2-OE1 3.34Å; E252-V254 PolarHBondContact O-N 3.07Å
253E43.7Very low48.1Very low121 Ų121113.8 Ų113.857%0.56562%0.619SS**G310 helixtrans-70.3-11.8167.3-76.3-179.4108.100113N255 V314E253-N255 PolarHBondContact O-N 3.11Å; E253-V314 WeakPolarHBondContact OE2-CG1 3.31Å; E253-V314 WeakPolarHBondContact OE2-CG2 3.14Å
254V48.6Very low49.6Very low90 Ų90114.5 Ų114.555%0.54561%0.614SS.*G310 helixtrans-79.51.1-172.6-167.20000113D251 E252 G258D251-V254 WeakPolarHBondContact O-CB 3.38Å; D251-V254 WeakPolarHBondContact O-CG2 3.49Å; D251-V254 PolarHBondContact O-N 3.4Å; E252-V254 PolarHBondContact O-N 3.07Å; V254-G258 PolarHBondContact O-N 3.47Å
255N41.5Very low50.8Low134 Ų134117.6 Ų117.672%0.71762%0.618SS**G310 helixtrans-91.8-10.2179.8-71.6-74.8000115.2E253E253-N255 PolarHBondContact O-N 3.11Å
256G43.3Very low52.8Low75 Ų75114.3 Ų114.377%0.77361%0.609SS**THydrogen-bonded Turntrans-88-9.5165.200000113.7
257V46.2Very low54.6Low84 Ų84114.2 Ų114.251%0.50960%0.6SS.*THydrogen-bonded Turntrans-112.9-19.5-171.6-171.20000112.1N259V257-N259 VanDerWaalsContact C-N 3.28Å; V257-N259 PolarHBondContact O-N 3.02Å
258G44.9Very low56.2Low57 Ų57111 Ų11159%0.58858%0.581SS**THydrogen-bonded Turntrans-65.1-25177.500000115V254V254-G258 PolarHBondContact O-N 3.47Å
259N47.8Very low58.1Low127 Ų127108.7 Ų108.768%0.67957%0.568SS**THydrogen-bonded Turntrans-104.955.3-179.8-64.414.2000111.9V257 D261V257-N259 VanDerWaalsContact C-N 3.28Å; V257-N259 PolarHBondContact O-N 3.02Å; N259-D261 PolarHBondContact O-N 3.26Å; N259-D261 VanDerWaalsContact O-N 3.12Å
260M55.4Low60.2Low111 Ų111107.1 Ų107.155%0.54757%0.566SS.*SBendtrans-69.295.9142.7-81.1-166.9-65.100105.4
261D61.8Low62.2Low86 Ų86109.8 Ų109.846%0.4656%0.563SS.*  trans-56.3149.8-164.5-83-36.1000111.2N259 I263 D264 R265N259-D261 PolarHBondContact O-N 3.26Å; N259-D261 VanDerWaalsContact O-N 3.12Å; D261-I263 HydrophobicContact CB-CG2 3.93Å; D261-I263 PolarHBondContact O-N 3.06Å; D261-D264 WeakPolarHBondContact O-CA 3.5Å; D261-D264 WeakPolarHBondContact O-CB 3.45Å; D261-D264 PolarHBondContact O-N 3.4Å; D261-R265 PolarHBondContact O-N 3.18Å
262I75.7Confident64.1Low129 Ų129110.7 Ų110.766%0.66257%0.567SS**Hα-helixtrans-56.6-27.3-179-163.7167.3000111.5F266I262-F266 HydrophobicContact CD1-CE2 4.15Å; I262-F266 HydrophobicContact CG1-CD2 3.96Å; I262-F266 HydrophobicContact CG1-CE2 3.8Å; I262-F266 WeakPolarHBondContact O-CB 2.94Å; I262-F266 WeakPolarHBondContact O-CD2 3.21Å; I262-F266 PolarHBondContact O-N 3.41Å
263I75.8Confident65.8Low121 Ų121108.5 Ų108.562%0.62157%0.565SS**Hα-helixtrans-70.1-37.2173-157.2167.7000113.6D261 F266 Y267D261-I263 HydrophobicContact CB-CG2 3.93Å; D261-I263 PolarHBondContact O-N 3.06Å; I263-F266 PolarHBondContact O-N 3.41Å; I263-Y267 VanDerWaalsContact O-CB 3.23Å; I263-Y267 WeakPolarHBondContact O-CB 3.47Å; I263-Y267 PolarHBondContact O-N 2.95Å
264D73.9Confident67.7Low82 Ų82107.6 Ų107.644%0.43956%0.563SS.*Hα-helixtrans-67-40.4172.8-76.4-32.2000110.7D261 Y267 M268D261-D264 WeakPolarHBondContact O-CA 3.5Å; D261-D264 WeakPolarHBondContact O-CB 3.45Å; D261-D264 PolarHBondContact O-N 3.4Å; D264-Y267 PolarHBondContact O-N 3.47Å; D264-M268 WeakPolarHBondContact O-CG 3.46Å; D264-M268 PolarHBondContact O-N 3.22Å
265R73Confident69.2Low196 Ų196107.3 Ų107.374%0.7456%0.555SS**Hα-helixtrans-64.5-42.5175.3-169.2173.3-177.6164.50.5111.5D261 L269D261-R265 PolarHBondContact O-N 3.18Å; R265-L269 VanDerWaalsContact O-CB 3.31Å; R265-L269 WeakPolarHBondContact O-CB 3.31Å; R265-L269 PolarHBondContact O-N 3.18Å
266F82.9Confident70.9Confident129 Ų129102.9 Ų102.957%0.56653%0.532SS*.Hα-helixtrans-65.4-40.6172.2-86.2-59.5000112.4I262 I263 L269 F270I262-F266 HydrophobicContact CD1-CE2 4.15Å; I262-F266 HydrophobicContact CG1-CD2 3.96Å; I262-F266 HydrophobicContact CG1-CE2 3.8Å; I262-F266 WeakPolarHBondContact O-CB 2.94Å; I262-F266 WeakPolarHBondContact O-CD2 3.21Å; I262-F266 PolarHBondContact O-N 3.41Å; I263-F266 PolarHBondContact O-N 3.41Å; F266-L269 PolarHBondContact O-N 3.43Å; F266-F270 VanDerWaalsContact O-CB 3.25Å; F266-F270 WeakPolarHBondContact O-CB 3.39Å; F266-F270 PolarHBondContact O-N 3.24Å
267Y80.5Confident72.7Confident123 Ų123101.2 Ų101.248%0.48252%0.515SS..Hα-helixtrans-63.9-45.5178.4175.8-100.3000111.8I263 D264 F270 R271I263-Y267 VanDerWaalsContact O-CB 3.23Å; I263-Y267 WeakPolarHBondContact O-CB 3.47Å; I263-Y267 PolarHBondContact O-N 2.95Å; D264-Y267 PolarHBondContact O-N 3.47Å; Y267-F270 PolarHBondContact O-N 3.49Å; Y267-R271 VanDerWaalsContact O-CB 3.25Å; Y267-R271 WeakPolarHBondContact O-CB 3.35Å; Y267-R271 PolarHBondContact O-N 3.32Å; Y267-R271 PolarHBondContact OH-NH1 3.14Å
268M74.7Confident74.3Confident83 Ų83102.2 Ų102.241%0.40952%0.517SS..Hα-helixtrans-68-37176-69.5-156-67.100112.3D264 L272 Y299D264-M268 WeakPolarHBondContact O-CG 3.46Å; D264-M268 PolarHBondContact O-N 3.22Å; M268-L272 VanDerWaalsContact O-CB 3.3Å; M268-L272 WeakPolarHBondContact O-CB 3.29Å; M268-L272 PolarHBondContact O-N 3.41Å; M268-Y299 WeakPolarHBondContact CE-OH 3.49Å; M268-Y299 HydrophobicContact SD-CE2 4.49Å; M268-Y299 PolarHBondContact SD-OH 2.83Å; M268-Y299 VanDerWaalsContact SD-OH 3.37Å
269L81.5Confident75.7Confident95 Ų95100.4 Ų100.450%0.49750%0.495SS..Hα-helixtrans-62.4-48.6171.9178.261.5000111.5R265 F266 R271 L272 C273R265-L269 VanDerWaalsContact O-CB 3.31Å; R265-L269 WeakPolarHBondContact O-CB 3.31Å; R265-L269 PolarHBondContact O-N 3.18Å; F266-L269 PolarHBondContact O-N 3.43Å; L269-R271 PolarHBondContact O-N 3.13Å; L269-L272 WeakPolarHBondContact O-CB 3.43Å; L269-L272 PolarHBondContact O-N 2.93Å; L269-C273 PolarHBondContact O-N 3.22Å; L269-C273 PolarHBondContact O-SG 2.96Å
270F86Confident77.2Confident126 Ų12699.4 Ų99.455%0.55349%0.485SS*.Hα-helixtrans-60.6-44.7178176.6-107.4000111.8F266 Y267 L272 C273 L274F266-F270 VanDerWaalsContact O-CB 3.25Å; F266-F270 WeakPolarHBondContact O-CB 3.39Å; F266-F270 PolarHBondContact O-N 3.24Å; Y267-F270 PolarHBondContact O-N 3.49Å; F270-L272 VanDerWaalsContact C-N 3.31Å; F270-L272 PolarHBondContact O-N 3Å; F270-C273 PolarHBondContact O-N 3.37Å; F270-L274 HydrophobicContact CD1-CD1 4.1Å; F270-L274 HydrophobicContact CE1-CD1 3.49Å; F270-L274 VanDerWaalsContact CE1-CD1 3.49Å; F270-L274 HydrophobicContact CE1-CG 4.16Å; F270-L274 HydrophobicContact CE2-CD1 4.45Å; F270-L274 HydrophobicContact CE2-CD2 4.44Å; F270-L274 HydrophobicContact CE2-CG 4.31Å; F270-L274 HydrophobicContact CZ-CD1 3.7Å; F270-L274 HydrophobicContact CZ-CD2 4.25Å; F270-L274 HydrophobicContact CZ-CG 4.04Å; F270-L274 WeakPolarHBondContact O-CG 3.38Å; F270-L274 PolarHBondContact O-N 3.44Å
271R81.7Confident78.4Confident157 Ų15797.9 Ų97.959%0.59249%0.49SS*.Hα-helixtrans-65.2-33.6176.9-168.4167.8-179.9163.5-3.3112.3Y267 L269 F275Y267-R271 VanDerWaalsContact O-CB 3.25Å; Y267-R271 WeakPolarHBondContact O-CB 3.35Å; Y267-R271 PolarHBondContact O-N 3.32Å; Y267-R271 PolarHBondContact OH-NH1 3.14Å; L269-R271 PolarHBondContact O-N 3.13Å; R271-F275 PolarHBondContact O-N 3.41Å; R271-F275 VanDerWaalsContact O-N 3.12Å
272L80.8Confident79Confident79 Ų79103.2 Ų103.241%0.41451%0.505SS..Hα-helixtrans-67.8-45.2171-171.669000111.5M268 L269 F270 L274 F275 V276 F292M268-L272 VanDerWaalsContact O-CB 3.3Å; M268-L272 WeakPolarHBondContact O-CB 3.29Å; M268-L272 PolarHBondContact O-N 3.41Å; L269-L272 WeakPolarHBondContact O-CB 3.43Å; L269-L272 PolarHBondContact O-N 2.93Å; F270-L272 VanDerWaalsContact C-N 3.31Å; F270-L272 PolarHBondContact O-N 3Å; L272-L274 PolarHBondContact O-N 3.09Å; L272-F275 PolarHBondContact O-N 3.32Å; L272-V276 WeakPolarHBondContact O-CB 3.4Å; L272-V276 WeakPolarHBondContact O-CG2 3.26Å; L272-V276 PolarHBondContact O-N 3.2Å; L272-F292 HydrophobicContact CD1-CE2 3.86Å; L272-F292 HydrophobicContact CD2-CE2 4.4Å; L272-F292 HydrophobicContact CG-CE2 4.18Å
273C81.7Confident78.8Confident74 Ų7499.6 Ų99.650%0.549%0.491SS..Hα-helixtrans-61.4-40.7176.5-69.10000112.5L269 F270 V276 G277L269-C273 PolarHBondContact O-N 3.22Å; L269-C273 PolarHBondContact O-SG 2.96Å; F270-C273 PolarHBondContact O-N 3.37Å; C273-V276 PolarHBondContact O-N 3.03Å; C273-G277 PolarHBondContact O-N 3.26Å
274L83Confident79Confident102 Ų10296.8 Ų96.853%0.53448%0.482SS..Hα-helixtrans-63.6-42.6173.4-73-177.2000112.2F270 L272 G277 L278F270-L274 HydrophobicContact CD1-CD1 4.1Å; F270-L274 HydrophobicContact CE1-CD1 3.49Å; F270-L274 VanDerWaalsContact CE1-CD1 3.49Å; F270-L274 HydrophobicContact CE1-CG 4.16Å; F270-L274 HydrophobicContact CE2-CD1 4.45Å; F270-L274 HydrophobicContact CE2-CD2 4.44Å; F270-L274 HydrophobicContact CE2-CG 4.31Å; F270-L274 HydrophobicContact CZ-CD1 3.7Å; F270-L274 HydrophobicContact CZ-CD2 4.25Å; F270-L274 HydrophobicContact CZ-CG 4.04Å; F270-L274 WeakPolarHBondContact O-CG 3.38Å; F270-L274 PolarHBondContact O-N 3.44Å; L272-L274 PolarHBondContact O-N 3.09Å; L274-G277 PolarHBondContact O-N 3.12Å; L274-L278 WeakPolarHBondContact O-CB 3.37Å; L274-L278 PolarHBondContact O-N 2.86Å
275F81.9Confident79Confident84 Ų8497.5 Ų97.537%0.36849%0.486SS..Hα-helixtrans-62.8-45.2176-179.2-103.6000111.7R271 L272 L278 C279 V291 A295R271-F275 PolarHBondContact O-N 3.41Å; R271-F275 VanDerWaalsContact O-N 3.12Å; L272-F275 PolarHBondContact O-N 3.32Å; F275-L278 PolarHBondContact O-N 3.49Å; F275-C279 PolarHBondContact O-N 3.26Å; F275-C279 PolarHBondContact O-SG 3.27Å; F275-C279 VanDerWaalsContact O-SG 3.35Å; F275-V291 HydrophobicContact CZ-CG1 4.13Å; F275-A295 HydrophobicContact CE1-CB 4.14Å; F275-A295 HydrophobicContact CZ-CB 4.48Å
276V76.5Confident79.3Confident41 Ų4193.4 Ų93.425%0.24848%0.478CS..Hα-helixtrans-60.6-46.5175.21690000111.4L272 C273 L278 C279 F280 F292L272-V276 WeakPolarHBondContact O-CB 3.4Å; L272-V276 WeakPolarHBondContact O-CG2 3.26Å; L272-V276 PolarHBondContact O-N 3.2Å; C273-V276 PolarHBondContact O-N 3.03Å; V276-L278 PolarHBondContact O-N 3.32Å; V276-C279 PolarHBondContact O-N 3.1Å; V276-F280 HydrophobicContact CG1-CD2 3.67Å; V276-F280 HydrophobicContact CG1-CE2 3.58Å; V276-F280 VanDerWaalsContact O-CD2 3.29Å; V276-F280 WeakPolarHBondContact O-CD2 3.4Å; V276-F280 PolarHBondContact O-N 3.08Å; V276-F292 HydrophobicContact CG2-CD2 3.42Å; V276-F292 VanDerWaalsContact CG2-CD2 3.42Å; V276-F292 HydrophobicContact CG2-CE2 3.4Å; V276-F292 VanDerWaalsContact CG2-CE2 3.4Å; V276-F292 HydrophobicContact CG2-CG 4.42Å; V276-F292 HydrophobicContact CG2-CZ 4.43Å
277G80.2Confident79.2Confident39 Ų3993.7 Ų93.740%0.40248%0.479SS..Hα-helixtrans-61.1-41176.700000113.1C273 L274 F280 A281C273-G277 PolarHBondContact O-N 3.26Å; L274-G277 PolarHBondContact O-N 3.12Å; G277-F280 PolarHBondContact O-N 3.22Å; G277-A281 WeakPolarHBondContact O-CB 3.29Å; G277-A281 PolarHBondContact O-N 3.34Å
278L79.7Confident79.2Confident105 Ų10588.1 Ų88.155%0.5546%0.458SS..Hα-helixtrans-63.4-43.2174.2-169.176.6000111.6L274 F275 V276 F280 A281 Y282L274-L278 WeakPolarHBondContact O-CB 3.37Å; L274-L278 PolarHBondContact O-N 2.86Å; F275-L278 PolarHBondContact O-N 3.49Å; V276-L278 PolarHBondContact O-N 3.32Å; L278-F280 PolarHBondContact O-N 3.13Å; L278-A281 PolarHBondContact O-N 3.29Å; L278-Y282 HydrophobicContact CD1-CD2 4.19Å; L278-Y282 HydrophobicContact CD1-CE2 4.37Å; L278-Y282 PolarHBondContact O-N 3.21Å
279C75.4Confident79.4Confident20 Ų2088.3 Ų88.314%0.13546%0.461CS..Hα-helixtrans-63.3-38175.6-720000112.6F275 V276 S283 A288F275-C279 PolarHBondContact O-N 3.26Å; F275-C279 PolarHBondContact O-SG 3.27Å; F275-C279 VanDerWaalsContact O-SG 3.35Å; V276-C279 PolarHBondContact O-N 3.1Å; C279-S283 WeakPolarHBondContact O-CB 3.49Å; C279-S283 PolarHBondContact O-N 3.22Å; C279-A288 HydrophobicContact CB-CB 3.96Å
280F79.7Confident79.5Confident105 Ų10589 Ų8946%0.46146%0.464SS..Hα-helixtrans-69.2-32.1172.9-84.6-65.7000113.3V276 G277 L278 L285V276-F280 HydrophobicContact CG1-CD2 3.67Å; V276-F280 HydrophobicContact CG1-CE2 3.58Å; V276-F280 VanDerWaalsContact O-CD2 3.29Å; V276-F280 WeakPolarHBondContact O-CD2 3.4Å; V276-F280 PolarHBondContact O-N 3.08Å; G277-F280 PolarHBondContact O-N 3.22Å; L278-F280 PolarHBondContact O-N 3.13Å; F280-L285 HydrophobicContact CE1-CB 4.47Å; F280-L285 HydrophobicContact CE1-CD1 4.07Å; F280-L285 HydrophobicContact CE1-CG 4.02Å
281A79Confident79.3Confident79 Ų7986.4 Ų86.465%0.65346%0.458SS*.Hα-helixtrans-75-29.9177.700000113.5G277 L278G277-A281 WeakPolarHBondContact O-CB 3.29Å; G277-A281 PolarHBondContact O-N 3.34Å; L278-A281 PolarHBondContact O-N 3.29Å
282Y74.3Confident79.3Confident198 Ų19882.3 Ų82.378%0.77645%0.445SS*.Hα-helixtrans-114.46.6-174.3-83.9-89.7000115.1L278L278-Y282 HydrophobicContact CD1-CD2 4.19Å; L278-Y282 HydrophobicContact CD1-CE2 4.37Å; L278-Y282 PolarHBondContact O-N 3.21Å
283S73.4Confident79.2Confident54 Ų5481.6 Ų81.638%0.37845%0.447SS..SBendtrans-149.6154176.5-101.20000113.6C279C279-S283 WeakPolarHBondContact O-CB 3.49Å; C279-S283 PolarHBondContact O-N 3.22Å
284S78.4Confident79.4Confident62 Ų6282.2 Ų82.243%0.43445%0.448SS..  trans-61.5148.9166.661.50000110.2D286 K287 A288S284-D286 VanDerWaalsContact C-N 3.27Å; S284-D286 PolarHBondContact O-N 2.97Å; S284-D286 VanDerWaalsContact O-N 3.13Å; S284-K287 WeakPolarHBondContact O-CB 3.4Å; S284-K287 PolarHBondContact O-N 2.99Å; S284-A288 PolarHBondContact O-N 3.18Å
285L75.5Confident79.3Confident97 Ų9779.4 Ų79.451%0.50844%0.439SS..Hα-helixtrans-49.5-44.6-171.9-177.4147.6000112.8F280 K287 A288 L289F280-L285 HydrophobicContact CE1-CB 4.47Å; F280-L285 HydrophobicContact CE1-CD1 4.07Å; F280-L285 HydrophobicContact CE1-CG 4.02Å; L285-K287 PolarHBondContact O-N 3.48Å; L285-A288 PolarHBondContact O-N 3.42Å; L285-L289 HydrophobicContact CD2-CD1 3.57Å; L285-L289 HydrophobicContact CD2-CG 4.24Å; L285-L289 HydrophobicContact CG-CD1 4.39Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 3.47Å
286D78.1Confident79.3Confident110 Ų11076.7 Ų76.759%0.58843%0.432SS*.Hα-helixtrans-60.9-43.1178.6-47-56.3000112.7S284 L289 I290S284-D286 VanDerWaalsContact C-N 3.27Å; S284-D286 PolarHBondContact O-N 2.97Å; S284-D286 VanDerWaalsContact O-N 3.13Å; D286-L289 PolarHBondContact O-N 3.04Å; D286-I290 WeakPolarHBondContact O-CD1 3.34Å; D286-I290 VanDerWaalsContact O-CG1 3.24Å; D286-I290 WeakPolarHBondContact O-CG1 3.47Å; D286-I290 PolarHBondContact O-N 2.91Å
287K80.3Confident79.8Confident135 Ų13582.3 Ų82.359%0.58745%0.45SS*.Hα-helixtrans-68.5-40.3179.2-67.2179.7-178.5178.30111S284 L285 I290 V291S284-K287 WeakPolarHBondContact O-CB 3.4Å; S284-K287 PolarHBondContact O-N 2.99Å; L285-K287 PolarHBondContact O-N 3.48Å; K287-I290 PolarHBondContact O-N 2.89Å; K287-V291 WeakPolarHBondContact O-CG2 3.47Å; K287-V291 PolarHBondContact O-N 3.2Å
288A80.6Confident80.1Confident5 Ų584 Ų844%0.04145%0.452CS..Hα-helixtrans-61.5-45174.500000111.5C279 S284 L285 F292C279-A288 HydrophobicContact CB-CB 3.96Å; S284-A288 PolarHBondContact O-N 3.18Å; L285-A288 PolarHBondContact O-N 3.42Å; A288-F292 WeakPolarHBondContact O-CB 3.38Å; A288-F292 PolarHBondContact O-N 3.43Å
289L80.3Confident80.2Confident88 Ų8884.3 Ų84.346%0.46145%0.447SS..Hα-helixtrans-65.2-41.6176.6-70.9-178.6000112.7L285 D286 F292 S293L285-L289 HydrophobicContact CD2-CD1 3.57Å; L285-L289 HydrophobicContact CD2-CG 4.24Å; L285-L289 HydrophobicContact CG-CD1 4.39Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 3.47Å; D286-L289 PolarHBondContact O-N 3.04Å; L289-F292 PolarHBondContact O-N 3.45Å; L289-S293 WeakPolarHBondContact O-CB 3.39Å; L289-S293 PolarHBondContact O-N 3.03Å; L289-S293 PolarHBondContact O-OG 3.39Å
290I82.5Confident80.6Confident108 Ų10888.4 Ų88.455%0.55447%0.467SS*.Hα-helixtrans-61.2-52.3175.8-69.7164.1000110.2D286 K287 F292 S293 V294D286-I290 WeakPolarHBondContact O-CD1 3.34Å; D286-I290 VanDerWaalsContact O-CG1 3.24Å; D286-I290 WeakPolarHBondContact O-CG1 3.47Å; D286-I290 PolarHBondContact O-N 2.91Å; K287-I290 PolarHBondContact O-N 2.89Å; I290-F292 VanDerWaalsContact C-N 3.34Å; I290-F292 PolarHBondContact O-N 2.98Å; I290-S293 PolarHBondContact O-N 2.95Å; I290-S293 PolarHBondContact O-OG 2.96Å; I290-V294 WeakPolarHBondContact O-CG2 3.42Å; I290-V294 PolarHBondContact O-N 3.48Å
291V81.6Confident81.1Confident73 Ų7389.4 Ų89.444%0.44247%0.469SS..Hα-helixtrans-61-42.3178.8172.30000111.6F275 K287 V294 A295F275-V291 HydrophobicContact CZ-CG1 4.13Å; K287-V291 WeakPolarHBondContact O-CG2 3.47Å; K287-V291 PolarHBondContact O-N 3.2Å; V291-V294 PolarHBondContact O-N 3.11Å; V291-A295 WeakPolarHBondContact O-CB 3.28Å; V291-A295 PolarHBondContact O-N 3.24Å
292F82.4Confident81.3Confident70 Ų7089 Ų8931%0.30746%0.455SS..Hα-helixtrans-60.9-47.1175.6175.4-101000112.3L272 V276 A288 L289 I290 V294 A295 A296L272-F292 HydrophobicContact CD1-CE2 3.86Å; L272-F292 HydrophobicContact CD2-CE2 4.4Å; L272-F292 HydrophobicContact CG-CE2 4.18Å; V276-F292 HydrophobicContact CG2-CD2 3.42Å; V276-F292 VanDerWaalsContact CG2-CD2 3.42Å; V276-F292 HydrophobicContact CG2-CE2 3.4Å; V276-F292 VanDerWaalsContact CG2-CE2 3.4Å; V276-F292 HydrophobicContact CG2-CG 4.42Å; V276-F292 HydrophobicContact CG2-CZ 4.43Å; A288-F292 WeakPolarHBondContact O-CB 3.38Å; A288-F292 PolarHBondContact O-N 3.43Å; L289-F292 PolarHBondContact O-N 3.45Å; I290-F292 VanDerWaalsContact C-N 3.34Å; I290-F292 PolarHBondContact O-N 2.98Å; F292-V294 PolarHBondContact O-N 2.96Å; F292-A295 PolarHBondContact O-N 2.95Å; F292-A296 WeakPolarHBondContact O-CB 3.48Å; F292-A296 PolarHBondContact O-N 3.19Å
293S78.9Confident81.5Confident65 Ų6581.7 Ų81.746%0.45543%0.429SS..Hα-helixtrans-63.1-39.4179.765.60000112.8L289 I290 Y297L289-S293 WeakPolarHBondContact O-CB 3.39Å; L289-S293 PolarHBondContact O-N 3.03Å; L289-S293 PolarHBondContact O-OG 3.39Å; I290-S293 PolarHBondContact O-N 2.95Å; I290-S293 PolarHBondContact O-OG 2.96Å; S293-Y297 VanDerWaalsContact O-CB 3.24Å; S293-Y297 WeakPolarHBondContact O-CB 3.4Å; S293-Y297 PolarHBondContact O-N 3.44Å
294V85.4Confident82Confident87 Ų8786.8 Ų86.853%0.52744%0.442SS..Hα-helixtrans-68.1-44.4175.2174.40000111I290 V291 F292 Y297 V298I290-V294 WeakPolarHBondContact O-CG2 3.42Å; I290-V294 PolarHBondContact O-N 3.48Å; V291-V294 PolarHBondContact O-N 3.11Å; F292-V294 PolarHBondContact O-N 2.96Å; V294-Y297 PolarHBondContact O-N 3.24Å; V294-V298 WeakPolarHBondContact O-CG2 3.46Å; V294-V298 PolarHBondContact O-N 3.13Å
295A80.4Confident82.1Confident42 Ų4291 Ų9135%0.34745%0.448SS..Hα-helixtrans-63.1-43.817700000111.9F275 V291 F292 V298 Y299F275-A295 HydrophobicContact CE1-CB 4.14Å; F275-A295 HydrophobicContact CZ-CB 4.48Å; V291-A295 WeakPolarHBondContact O-CB 3.28Å; V291-A295 PolarHBondContact O-N 3.24Å; F292-A295 PolarHBondContact O-N 2.95Å; A295-V298 PolarHBondContact O-N 3.29Å; A295-Y299 VanDerWaalsContact O-CB 3.3Å; A295-Y299 WeakPolarHBondContact O-CB 3.35Å; A295-Y299 PolarHBondContact O-N 3.2Å
296A83.3Confident82.1Confident27 Ų2795.1 Ų95.122%0.22346%0.457CS..Hα-helixtrans-64.1-41.9175.200000111.8F292 Y299 L300F292-A296 WeakPolarHBondContact O-CB 3.48Å; F292-A296 PolarHBondContact O-N 3.19Å; A296-Y299 PolarHBondContact O-N 2.97Å; A296-L300 WeakPolarHBondContact O-CB 3.3Å; A296-L300 VanDerWaalsContact O-CG 3.27Å; A296-L300 WeakPolarHBondContact O-CG 3.26Å; A296-L300 PolarHBondContact O-N 2.7Å
297Y86.7Confident81.9Confident159 Ų15995.3 Ų95.362%0.62445%0.45SS*.Hα-helixtrans-61.3-47.1175178-94.9000111.8S293 V294 Y299 L300 Y301S293-Y297 VanDerWaalsContact O-CB 3.24Å; S293-Y297 WeakPolarHBondContact O-CB 3.4Å; S293-Y297 PolarHBondContact O-N 3.44Å; V294-Y297 PolarHBondContact O-N 3.24Å; Y297-Y299 VanDerWaalsContact C-N 3.33Å; Y297-Y299 PolarHBondContact O-N 3.05Å; Y297-L300 PolarHBondContact O-N 3.27Å; Y297-Y301 VanDerWaalsContact O-CB 3.24Å; Y297-Y301 WeakPolarHBondContact O-CB 3.45Å; Y297-Y301 PolarHBondContact O-N 3.06Å
298V86.2Confident81.7Confident74 Ų7489.8 Ų89.845%0.44843%0.43SS..Hα-helixtrans-64.2-38.1176.7171.60000111.4V294 A295 N302V294-V298 WeakPolarHBondContact O-CG2 3.46Å; V294-V298 PolarHBondContact O-N 3.13Å; A295-V298 PolarHBondContact O-N 3.29Å; V298-N302 WeakPolarHBondContact O-CB 3.41Å; V298-N302 PolarHBondContact O-N 3.4Å; V298-N302 PolarHBondContact O-ND2 3.15Å
299Y81.3Confident81.4Confident113 Ų11392.9 Ų92.944%0.44345%0.448SS..Hα-helixtrans-65.2-47.7175.9178.6-95.1000112.1M268 A295 A296 Y297 N302 I303M268-Y299 WeakPolarHBondContact CE-OH 3.49Å; M268-Y299 HydrophobicContact SD-CE2 4.49Å; M268-Y299 PolarHBondContact SD-OH 2.83Å; M268-Y299 VanDerWaalsContact SD-OH 3.37Å; A295-Y299 VanDerWaalsContact O-CB 3.3Å; A295-Y299 WeakPolarHBondContact O-CB 3.35Å; A295-Y299 PolarHBondContact O-N 3.2Å; A296-Y299 PolarHBondContact O-N 2.97Å; Y297-Y299 VanDerWaalsContact C-N 3.33Å; Y297-Y299 PolarHBondContact O-N 3.05Å; Y299-N302 PolarHBondContact O-N 3.21Å; Y299-I303 PolarHBondContact O-N 2.76Å
300L85.2Confident81Confident105 Ų10592.4 Ų92.455%0.5545%0.448SS..Hα-helixtrans-67-37.7177-70171.6000112.2A296 Y297 N302 I303 Y304A296-L300 WeakPolarHBondContact O-CB 3.3Å; A296-L300 VanDerWaalsContact O-CG 3.27Å; A296-L300 WeakPolarHBondContact O-CG 3.26Å; A296-L300 PolarHBondContact O-N 2.7Å; Y297-L300 PolarHBondContact O-N 3.27Å; L300-N302 VanDerWaalsContact C-N 3.29Å; L300-N302 PolarHBondContact O-N 3.08Å; L300-I303 HydrophobicContact CD2-CG2 4.43Å; L300-I303 WeakPolarHBondContact O-CG2 3.44Å; L300-I303 PolarHBondContact O-N 2.66Å; L300-Y304 VanDerWaalsContact O-CB 3.31Å; L300-Y304 WeakPolarHBondContact O-CB 3.49Å; L300-Y304 PolarHBondContact O-N 2.73Å
301Y88.3Confident80.3Confident127 Ų12793 Ų9350%0.49845%0.449SS..Hα-helixtrans-61.5-39.8172-179-96.5000111.3Y297 R305Y297-Y301 VanDerWaalsContact O-CB 3.24Å; Y297-Y301 WeakPolarHBondContact O-CB 3.45Å; Y297-Y301 PolarHBondContact O-N 3.06Å; Y301-R305 WeakPolarHBondContact O-CB 3.17Å; Y301-R305 PolarHBondContact O-N 3.45Å
302N83Confident79.6Confident69 Ų6998.1 Ų98.137%0.36946%0.46SS..Hα-helixtrans-69.9-36.1175.5-79-51.5000113.2V298 Y299 L300 R306V298-N302 WeakPolarHBondContact O-CB 3.41Å; V298-N302 PolarHBondContact O-N 3.4Å; V298-N302 PolarHBondContact O-ND2 3.15Å; Y299-N302 PolarHBondContact O-N 3.21Å; L300-N302 VanDerWaalsContact C-N 3.29Å; L300-N302 PolarHBondContact O-N 3.08Å; N302-R306 WeakPolarHBondContact O-CG 3.42Å; N302-R306 PolarHBondContact O-N 3.45Å
303I80.3Confident78.6Confident45 Ų4599.7 Ų99.723%0.23147%0.471CS..Hα-helixtrans-67.8-45.2173.9-140.875.8000110.6Y299 L300 R305 R306 Y307Y299-I303 PolarHBondContact O-N 2.76Å; L300-I303 HydrophobicContact CD2-CG2 4.43Å; L300-I303 WeakPolarHBondContact O-CG2 3.44Å; L300-I303 PolarHBondContact O-N 2.66Å; I303-R305 PolarHBondContact O-N 3.35Å; I303-R306 WeakPolarHBondContact O-CB 3.36Å; I303-R306 PolarHBondContact O-N 2.9Å; I303-R306 VanDerWaalsContact O-N 3.12Å; I303-Y307 HydrophobicContact CB-CE2 4.33Å; I303-Y307 HydrophobicContact CG1-CD2 4.36Å; I303-Y307 HydrophobicContact CG1-CE2 3.66Å; I303-Y307 HydrophobicContact CG2-CD2 4.36Å; I303-Y307 HydrophobicContact CG2-CE2 4.02Å; I303-Y307 WeakPolarHBondContact O-CD2 3.27Å; I303-Y307 PolarHBondContact O-N 3.36Å
304Y83Confident77.8Confident162 Ų16297.8 Ų97.864%0.63546%0.456SS*.Hα-helixtrans-60.8-44.5176.1-180-103.5000111.9L300 R306 Y307 A308L300-Y304 VanDerWaalsContact O-CB 3.31Å; L300-Y304 WeakPolarHBondContact O-CB 3.49Å; L300-Y304 PolarHBondContact O-N 2.73Å; Y304-R306 VanDerWaalsContact C-N 3.29Å; Y304-R306 PolarHBondContact O-N 3.2Å; Y304-Y307 PolarHBondContact O-N 2.98Å; Y304-A308 WeakPolarHBondContact O-CB 3.25Å; Y304-A308 PolarHBondContact O-N 3.29Å
305R81Confident76.7Confident150 Ų15099.5 Ų99.557%0.56646%0.458SS*.Hα-helixtrans-61.1-34.9174.7-177.8179.4174.5-155.8-1.2112.5Y301 I303 V309Y301-R305 WeakPolarHBondContact O-CB 3.17Å; Y301-R305 PolarHBondContact O-N 3.45Å; I303-R305 PolarHBondContact O-N 3.35Å; R305-V309 VanDerWaalsContact O-CG2 3.28Å; R305-V309 WeakPolarHBondContact O-CG2 3.11Å; R305-V309 PolarHBondContact O-N 3.15Å
306R74.3Confident75.8Confident183 Ų183100.8 Ų100.869%0.69147%0.469SS*.Hα-helixtrans-68.1-49.5174.3-76.4175.7177.5-158.4-1111.1N302 I303 Y304 A308 V309 V310N302-R306 WeakPolarHBondContact O-CG 3.42Å; N302-R306 PolarHBondContact O-N 3.45Å; I303-R306 WeakPolarHBondContact O-CB 3.36Å; I303-R306 PolarHBondContact O-N 2.9Å; I303-R306 VanDerWaalsContact O-N 3.12Å; Y304-R306 VanDerWaalsContact C-N 3.29Å; Y304-R306 PolarHBondContact O-N 3.2Å; R306-A308 PolarHBondContact O-N 2.94Å; R306-V309 PolarHBondContact O-N 3.43Å; R306-V309 VanDerWaalsContact O-N 3.13Å; R306-V310 PolarHBondContact O-N 3.21Å
307Y75.1Confident74.5Confident114 Ų114107.3 Ų107.345%0.44750%0.495SS..Hα-helixtrans-58-47176.4-66.9-57.1000112.2I303 Y304 V309 V310 E311I303-Y307 HydrophobicContact CB-CE2 4.33Å; I303-Y307 HydrophobicContact CG1-CD2 4.36Å; I303-Y307 HydrophobicContact CG1-CE2 3.66Å; I303-Y307 HydrophobicContact CG2-CD2 4.36Å; I303-Y307 HydrophobicContact CG2-CE2 4.02Å; I303-Y307 WeakPolarHBondContact O-CD2 3.27Å; I303-Y307 PolarHBondContact O-N 3.36Å; Y304-Y307 PolarHBondContact O-N 2.98Å; Y307-V309 PolarHBondContact O-N 3.49Å; Y307-V310 PolarHBondContact O-N 2.9Å; Y307-E311 PolarHBondContact O-N 3.44Å
308A76.5Confident73Confident20 Ų20107 Ų10717%0.16549%0.492CS..Hα-helixtrans-65.1-21177.900000114.2Y304 R306 R312Y304-A308 WeakPolarHBondContact O-CB 3.25Å; Y304-A308 PolarHBondContact O-N 3.29Å; R306-A308 PolarHBondContact O-N 2.94Å; A308-R312 WeakPolarHBondContact O-CG 3.47Å
309V73.8Confident71.3Confident69 Ų69113.8 Ų113.842%0.41851%0.51SS..Hα-helixtrans-80-39.6170.5166.60000110.9R305 R306 Y307 R312 I313R305-V309 VanDerWaalsContact O-CG2 3.28Å; R305-V309 WeakPolarHBondContact O-CG2 3.11Å; R305-V309 PolarHBondContact O-N 3.15Å; R306-V309 PolarHBondContact O-N 3.43Å; R306-V309 VanDerWaalsContact O-N 3.13Å; Y307-V309 PolarHBondContact O-N 3.49Å; V309-R312 PolarHBondContact O-N 2.86Å; V309-I313 HydrophobicContact CG1-CD1 4.29Å; V309-I313 PolarHBondContact O-N 3.43Å
310V71.6Confident69.8Low78 Ų78113.4 Ų113.447%0.47352%0.522SS..Hα-helixtrans-61.6-47.2175.7174.50000110.9R306 Y307 R312 I313 V314R306-V310 PolarHBondContact O-N 3.21Å; Y307-V310 PolarHBondContact O-N 2.9Å; V310-R312 PolarHBondContact O-N 3.41Å; V310-I313 WeakPolarHBondContact O-CB 3.23Å; V310-I313 PolarHBondContact O-N 3.12Å; V310-V314 HydrophobicContact CG1-CG2 4.32Å; V310-V314 WeakPolarHBondContact O-CG2 3.45Å; V310-V314 PolarHBondContact O-N 3.12Å
311E68.8Low67.9Low120 Ų120117.8 Ų117.856%0.56154%0.539SS*.Hα-helixtrans-53.3-40.5175-73.4-176.413900112.4Y307 I313 V314 H315Y307-E311 PolarHBondContact O-N 3.44Å; E311-I313 VanDerWaalsContact C-N 3.32Å; E311-I313 PolarHBondContact O-N 3.35Å; E311-V314 PolarHBondContact O-N 2.84Å; E311-H315 WeakPolarHBondContact O-CB 3.36Å; E311-H315 PolarHBondContact O-CD2 2.88Å; E311-H315 PolarHBondContact O-N 3.46Å
312R65.2Low65.9Low181 Ų181120.5 Ų120.568%0.68356%0.556SS**Hα-helixtrans-70.8-24.8178.5-69.2-147.5-63.7-98.610.4113.9A308 V309 V310 A316A308-R312 WeakPolarHBondContact O-CG 3.47Å; V309-R312 PolarHBondContact O-N 2.86Å; V310-R312 PolarHBondContact O-N 3.41Å; R312-A316 WeakPolarHBondContact O-CB 3.39Å; R312-A316 PolarHBondContact O-N 2.95Å; R312-A316 VanDerWaalsContact O-N 3.12Å
313I62.7Low63.9Low104 Ų104122.1 Ų122.153%0.53357%0.565SS.*Hα-helixtrans-73.8-48.7171.7-64165.8000109.2V309 V310 E311 H315 A316 Q317V309-I313 HydrophobicContact CG1-CD1 4.29Å; V309-I313 PolarHBondContact O-N 3.43Å; V310-I313 WeakPolarHBondContact O-CB 3.23Å; V310-I313 PolarHBondContact O-N 3.12Å; E311-I313 VanDerWaalsContact C-N 3.32Å; E311-I313 PolarHBondContact O-N 3.35Å; I313-H315 PolarHBondContact O-N 2.87Å; I313-A316 PolarHBondContact O-N 3.06Å; I313-A316 VanDerWaalsContact O-N 3.13Å; I313-Q317 PolarHBondContact O-N 3.36Å
314V62.5Low62.1Low24 Ų24126.1 Ų126.115%0.14559%0.594CS.*Hα-helixtrans-57.5-46.2177175.40000111.7E253 V310 E311 Q317 R318E253-V314 WeakPolarHBondContact OE2-CG1 3.31Å; E253-V314 WeakPolarHBondContact OE2-CG2 3.14Å; V310-V314 HydrophobicContact CG1-CG2 4.32Å; V310-V314 WeakPolarHBondContact O-CG2 3.45Å; V310-V314 PolarHBondContact O-N 3.12Å; E311-V314 PolarHBondContact O-N 2.84Å; V314-Q317 PolarHBondContact O-N 3Å; V314-R318 PolarHBondContact O-N 3.28Å; V314-R318 VanDerWaalsContact O-N 3.12Å
315H62.7Low59.8Low123 Ų123127 Ų12757%0.56960%0.604SS**Hα-helixtrans-72.5-25.5177.5-75.8-65.8000113.9E311 I313E311-H315 WeakPolarHBondContact O-CB 3.36Å; E311-H315 PolarHBondContact O-CD2 2.88Å; E311-H315 PolarHBondContact O-N 3.46Å; I313-H315 PolarHBondContact O-N 2.87Å
316A60.6Low57.6Low69 Ų69123.5 Ų123.557%0.5761%0.614SS**Hα-helixtrans-71.7-42.517200000111.5R312 I313 R318 R319R312-A316 WeakPolarHBondContact O-CB 3.39Å; R312-A316 PolarHBondContact O-N 2.95Å; R312-A316 VanDerWaalsContact O-N 3.12Å; I313-A316 PolarHBondContact O-N 3.06Å; I313-A316 VanDerWaalsContact O-N 3.13Å; A316-R318 PolarHBondContact O-N 3.29Å; A316-R319 PolarHBondContact O-N 3.43Å
317Q55Low55.9Low164 Ų164119.1 Ų119.177%0.76662%0.617SS**Hα-helixtrans-59.5-34.1174-162.693-27.800111.6I313 V314I313-Q317 PolarHBondContact O-N 3.36Å; V314-Q317 PolarHBondContact O-N 3Å
318R57Low54.3Low153 Ų153123.1 Ų123.158%0.57764%0.64SS**THydrogen-bonded Turntrans-89.111.8-175.5-130.7-167.5-64.9-172.8-0.1116V314 A316 P320V314-R318 PolarHBondContact O-N 3.28Å; V314-R318 VanDerWaalsContact O-N 3.12Å; A316-R318 PolarHBondContact O-N 3.29Å; R318-P320 WeakPolarHBondContact O-CD 3.3Å
319R50Low52.3Low216 Ų216127.7 Ų127.782%0.81567%0.671SS**  trans-74.1119.3169.6-89.1-148.6-66.6164.1-3.6110.3A316A316-R319 PolarHBondContact O-N 3.43Å
320P48.6Very low50.4Low106 Ų106132.3 Ų132.369%0.68869%0.693SS**  trans-71.5155.1-175.930-36000112.4R318 Q322R318-P320 WeakPolarHBondContact O-CD 3.3Å; P320-Q322 VanDerWaalsContact C-N 3.35Å; P320-Q322 PolarHBondContact O-N 2.89Å
321Q46.3Very low49Very low196 Ų196136.1 Ų136.192%0.91671%0.71SS**  trans-68.586.2171.5-68.6-172.97.200111.3N323Q321-N323 PolarHBondContact O-N 3.42Å
322Q46.7Very low47.9Very low185 Ų185137.2 Ų137.286%0.86472%0.72SS**  trans-76.476.9162.6-79.4-171.3-26.700110.9P320P320-Q322 VanDerWaalsContact C-N 3.35Å; P320-Q322 PolarHBondContact O-N 2.89Å
323N40.1Very low46.9Very low102 Ų102134.3 Ų134.355%0.54572%0.724SS.*  trans40.2108.6137-166.723.5000119.8Q321 Q325Q321-N323 PolarHBondContact O-N 3.42Å; N323-Q325 WeakPolarHBondContact OD1-CB 3.24Å; N323-Q325 VanDerWaalsContact OD1-CG 3.26Å; N323-Q325 WeakPolarHBondContact OD1-CG 3.31Å; N323-Q325 PolarHBondContact OD1-N 2.88Å
324P42.4Very low46Very low129 Ų129135.2 Ų135.284%0.83874%0.737SS**  trans-101.428.3162.238.6-33000114.2G326P324-G326 VanDerWaalsContact C-N 3.3Å; P324-G326 PolarHBondContact O-N 3.42Å
325Q35.5Very low44.7Very low181 Ų181138.1 Ų138.185%0.84676%0.764SS**  trans-72.285.2168.9-69.1-177.8-9.100110.6N323N323-Q325 WeakPolarHBondContact OD1-CB 3.24Å; N323-Q325 VanDerWaalsContact OD1-CG 3.26Å; N323-Q325 WeakPolarHBondContact OD1-CG 3.31Å; N323-Q325 PolarHBondContact OD1-N 2.88Å
326G35.5Very low43.3Very low76 Ų76138.2 Ų138.278%0.78478%0.778SS**  trans-142.427.6-175.600000114.4P324P324-G326 VanDerWaalsContact C-N 3.3Å; P324-G326 PolarHBondContact O-N 3.42Å
327A37.2Very low42Very low92 Ų92138 Ų13876%0.7678%0.782SS**SBendtrans-149.9145.4176.100000112.6
328Q41.3Very low41Very low198 Ų198139.3 Ų139.393%0.92579%0.788SS**  trans72.666.4169.9-58-174.4-5.500117.7
329S34.4Very low39.9Very low116 Ų116135.9 Ų135.981%0.81179%0.788SS**  trans-70.5130.8151.5-49.70000110.9
330N34Very low39.2Very low166 Ų166133.1 Ų133.189%0.88879%0.785SS**  trans-175.2109.1139.2-103.8-28.2000111.7
331L42.6Very low38.3Very low157 Ų157133.9 Ų133.982%0.82278%0.783SS**  trans-150.6108166.3-104.8153.4000109.2
332N46Very low37.9Very low144 Ų144132.8 Ų132.877%0.7778%0.778SS**  trans54119158.1-57.8-7.9000120.8
333P43.7Very low37.2Very low120 Ų120131.3 Ų131.378%0.77977%0.771SS**  trans-89.8-175.7154.340.7-35.3000110.7
334P43.8Very low36.8Very low123 Ų123133.4 Ų133.480%0.79978%0.782SS**  cis-122.8176.5-2537-23000112.6
335A35.4Very low36.4Very low85 Ų85134.1 Ų134.170%0.70277%0.774SS**  164.6133.8121.900000114.9
336S33.7Very low36.2Very low125 Ų125132.1 Ų132.187%0.87477%0.769SS**  trans53.9132.5148.5550000122.5
337G33.6Very low36.1Very low64 Ų64134 Ų13466%0.6676%0.764SS**  trans107.8103.7174.800000111
338Q33.6Very low36.1Very low191 Ų191136.7 Ų136.789%0.89376%0.761SS**  56122.366-60.6179.2-39.300112.1
339S34.2Very low35.7Very low82 Ų82134.3 Ų134.357%0.57375%0.75SS**  cis-159.1161.81.8-118.70000111.1
340E33.6Very low35.7Very low158 Ų158134 Ų13474%0.73875%0.748SS**  trans39.5151.8134.2-57.7168.28200121.3
341N30.3Very low35.8Very low122 Ų122132.8 Ų132.865%0.65275%0.747SS**  cis-173.5138.6-16.9-111.7-35.4000106.3
342Q38.6Very low35.2Very low172 Ų172128.4 Ų128.480%0.80474%0.74SS**  trans144.7119.4148.2-80.5152.3100.900110.4
343Q32.6Very low34.7Very low154 Ų154129.2 Ų129.272%0.7274%0.744SS**  cis78.195.146.7-161171.820.200109.8
344N31Very low34.2Very low146 Ų146132.7 Ų132.778%0.78175%0.75SS**  79.9154.465.3-168.716.3000111.9
345Q33Very low33.9Very low145 Ų145131.2 Ų131.268%0.67875%0.748SS**  trans81.5149.9-178.5-55.2-173.81.500115.9
346L31.9Very low33.8Very low139 Ų139135.1 Ų135.173%0.72876%0.757SS**  cis-165.2165.9-11.9-111.5170.2000110.4
347V34.2Very low34.2Very low115 Ų115133.5 Ų133.570%0.69775%0.751SS**  trans71.2145.2153.8163.50000116
348Q35.9Very low34.6Very low149 Ų149137.7 Ų137.770%0.69676%0.759SS**  cis-146.8160.719.5-154.2142-1200114.1
349E34.6Very low35.2Very low148 Ų148136.1 Ų136.169%0.69276%0.755SS**  trans31.2127.6156.1-73159.556.900122.1
350S33.3Very low35.5Very low108 Ų108143.5 Ų143.576%0.75577%0.771SS**  69.1130.865-53.40000112.8
351T35.6Very low36Very low141 Ų141138.5 Ų138.587%0.86576%0.762SS**  cis-162.1148.633.1-54.30000111.8
352G30.2Very low36.8Very low66 Ų66138 Ų13868%0.6876%0.756SS**  trans74.3152.6161.500000117
353D36.2Very low37Very low160 Ų160137.5 Ų137.586%0.85675%0.753SS**  cis-150.4169.9-1.9-128.5-41000112
354Q34Very low37.9Very low193 Ų193137.3 Ų137.390%0.90275%0.752SS**  trans-83.7117.1-169.3-62.1177-0.300114.1
355A36.6Very low39.1Very low93 Ų93133 Ų13377%0.76973%0.733SS**  trans-14813.7179.900000117.7
356N33Very low40.2Very low166 Ų166133.8 Ų133.889%0.88873%0.73SS**  trans-106.889.7-175.7-90.4-37.2000113.9
357A43Very low41.4Very low91 Ų91134.1 Ų134.175%0.75273%0.726SS**SBendtrans-152.8-40.6169.300000115.2
358N40.4Very low42.9Very low153 Ų153132.6 Ų132.682%0.81872%0.717SS**SBendtrans-90.7-7.6-160.9-79.4-39.6000117.2R360N358-R360 VanDerWaalsContact C-N 3.32Å; N358-R360 PolarHBondContact O-N 2.87Å
359L47.2Very low44.1Very low157 Ų157133.7 Ų133.782%0.82272%0.715SS**THydrogen-bonded Turntrans-75.5-7.1-167.1-85.2162.3000116.3
360R41.1Very low45.8Very low237 Ų237131.5 Ų131.589%0.89471%0.707SS**THydrogen-bonded Turntrans-94.5-9-175.7-146.3166.385.6174.75.2115.5N358N358-R360 VanDerWaalsContact C-N 3.32Å; N358-R360 PolarHBondContact O-N 2.87Å
361G43.4Very low47.6Very low53 Ų53129.5 Ų129.555%0.54669%0.69SS.*SBendtrans-93.2-22-177.100000116
362E46.8Very low49.5Very low113 Ų113126.3 Ų126.353%0.52867%0.671SS.*Hα-helixtrans-79.5-28.8-168.5-150.5-167.399.500113.7S365 R366E362-S365 WeakPolarHBondContact O-CB 3.43Å; E362-S365 PolarHBondContact O-N 3.42Å; E362-R366 PolarHBondContact O-N 2.9Å; E362-R366 VanDerWaalsContact O-N 3.09Å; E362-R366 IonicContact OE1-CZ 3.34Å; E362-R366 IonicContact OE1-NE 3.95Å; E362-R366 PolarHBondContact OE1-NE 2.85Å; E362-R366 IonicContact OE1-NH2 2.66Å; E362-R366 PolarHBondContact OE1-NH2 2.99Å
363Q44.2Very low51.6Low161 Ų161128.2 Ų128.275%0.75267%0.665SS**Hα-helixtrans-73.2-34-168.9-165.1163.5-9.600113.3R366 F367Q363-R366 PolarHBondContact O-N 3.06Å; Q363-F367 PolarHBondContact O-N 3.37Å
364E51.2Low53.5Low150 Ų150126.8 Ų126.870%0.70166%0.657SS**Hα-helixtrans-66.2-37.5171-68.1-170.3109.600112R366 F367 T368E364-R366 VanDerWaalsContact C-N 3.35Å; E364-R366 PolarHBondContact O-N 3.31Å; E364-F367 PolarHBondContact O-N 2.78Å; E364-T368 WeakPolarHBondContact O-CB 3.39Å; E364-T368 PolarHBondContact O-N 3.02Å; E364-T368 PolarHBondContact O-OG1 3.32Å
365S55.9Low55.5Low54 Ų54126.9 Ų126.938%0.37865%0.649SS.*Hα-helixtrans-64.2-40.7176.8-160.20000111.3E362 R369E362-S365 WeakPolarHBondContact O-CB 3.43Å; E362-S365 PolarHBondContact O-N 3.42Å; S365-R369 WeakPolarHBondContact O-CB 3.5Å; S365-R369 VanDerWaalsContact O-CG 3.29Å; S365-R369 WeakPolarHBondContact O-CG 3.32Å; S365-R369 PolarHBondContact O-N 3.45Å
366R56Low57.6Low162 Ų162127.2 Ų127.261%0.61164%0.637SS**Hα-helixtrans-62.6-45.2175.3-70.2-175-177.8-1354.9112.3E362 Q363 E364 R369 I370E362-R366 PolarHBondContact O-N 2.9Å; E362-R366 VanDerWaalsContact O-N 3.09Å; E362-R366 IonicContact OE1-CZ 3.34Å; E362-R366 IonicContact OE1-NE 3.95Å; E362-R366 PolarHBondContact OE1-NE 2.85Å; E362-R366 IonicContact OE1-NH2 2.66Å; E362-R366 PolarHBondContact OE1-NH2 2.99Å; Q363-R366 PolarHBondContact O-N 3.06Å; E364-R366 VanDerWaalsContact C-N 3.35Å; E364-R366 PolarHBondContact O-N 3.31Å; R366-R369 PolarHBondContact O-N 3Å; R366-I370 WeakPolarHBondContact O-CG1 3.49Å; R366-I370 PolarHBondContact O-N 3.4Å
367F56.7Low59.9Low147 Ų147122.2 Ų122.265%0.64562%0.619SS**Hα-helixtrans-68-41.2179.8-156.5-94.1000112.1Q363 E364 R369 I370 T371Q363-F367 PolarHBondContact O-N 3.37Å; E364-F367 PolarHBondContact O-N 2.78Å; F367-R369 PolarHBondContact O-N 3.43Å; F367-I370 PolarHBondContact O-N 2.92Å; F367-T371 HydrophobicContact CD1-CG2 4.27Å; F367-T371 HydrophobicContact CE1-CG2 4.12Å; F367-T371 PolarHBondContact O-N 2.8Å; F367-T371 VanDerWaalsContact O-N 3.14Å
368T66Low61.7Low83 Ų83120.3 Ų120.351%0.50960%0.603SS.*Hα-helixtrans-62.4-41.7176-54.60000112.1E364 I370 T371 T372E364-T368 WeakPolarHBondContact O-CB 3.39Å; E364-T368 PolarHBondContact O-N 3.02Å; E364-T368 PolarHBondContact O-OG1 3.32Å; T368-I370 VanDerWaalsContact C-N 3.31Å; T368-I370 PolarHBondContact O-N 3.21Å; T368-T371 PolarHBondContact O-N 2.91Å; T368-T371 PolarHBondContact O-OG1 2.92Å; T368-T372 PolarHBondContact O-N 3.41Å; T368-T372 PolarHBondContact O-OG1 3.47Å
369R61.2Low63.6Low172 Ų172118.2 Ų118.265%0.64959%0.592SS**Hα-helixtrans-62.6-34.8174.1-75.4179-172.5-152.22.3113S365 R366 F367 T372 N373S365-R369 WeakPolarHBondContact O-CB 3.5Å; S365-R369 VanDerWaalsContact O-CG 3.29Å; S365-R369 WeakPolarHBondContact O-CG 3.32Å; S365-R369 PolarHBondContact O-N 3.45Å; R366-R369 PolarHBondContact O-N 3Å; F367-R369 PolarHBondContact O-N 3.43Å; R369-T372 WeakPolarHBondContact CA-OG1 3.3Å; R369-T372 PolarHBondContact O-OG1 3.21Å; R369-N373 VanDerWaalsContact O-CB 3.31Å; R369-N373 WeakPolarHBondContact O-CB 3.25Å; R369-N373 PolarHBondContact O-N 3.43Å; R369-N373 VanDerWaalsContact O-N 3.07Å; R369-N373 PolarHBondContact O-ND2 2.95Å; R369-N373 PolarHBondContact O-OD1 2.84Å
370I69.7Low65.3Low102 Ų102116.9 Ų116.952%0.52358%0.581SS.*Hα-helixtrans-67.2-44.4177.1-69.3164.4000110.3R366 F367 T368 N373 L374R366-I370 WeakPolarHBondContact O-CG1 3.49Å; R366-I370 PolarHBondContact O-N 3.4Å; F367-I370 PolarHBondContact O-N 2.92Å; T368-I370 VanDerWaalsContact C-N 3.31Å; T368-I370 PolarHBondContact O-N 3.21Å; I370-N373 PolarHBondContact O-N 3.23Å; I370-L374 WeakPolarHBondContact O-CB 3.41Å; I370-L374 PolarHBondContact O-N 3.12Å
371T71.9Confident67.4Low65 Ų65108.6 Ų108.640%0.39956%0.56SS.*Hα-helixtrans-70.1-35-179.4600000113F367 T368 R375F367-T371 HydrophobicContact CD1-CG2 4.27Å; F367-T371 HydrophobicContact CE1-CG2 4.12Å; F367-T371 PolarHBondContact O-N 2.8Å; F367-T371 VanDerWaalsContact O-N 3.14Å; T368-T371 PolarHBondContact O-N 2.91Å; T368-T371 PolarHBondContact O-OG1 2.92Å; T371-R375 PolarHBondContact O-N 2.86Å; T371-R375 VanDerWaalsContact O-N 3.11Å
372T74.5Confident69.4Low75 Ų75114 Ų11446%0.4657%0.565SS.*Hα-helixtrans-65.9-44172.354.40000111.9T368 R369 L374 R375 L376T368-T372 PolarHBondContact O-N 3.41Å; T368-T372 PolarHBondContact O-OG1 3.47Å; R369-T372 WeakPolarHBondContact CA-OG1 3.3Å; R369-T372 PolarHBondContact O-OG1 3.21Å; T372-L374 VanDerWaalsContact C-N 3.35Å; T372-L374 PolarHBondContact O-N 2.88Å; T372-R375 PolarHBondContact O-N 2.88Å; T372-L376 PolarHBondContact O-N 3.47Å
373N75Confident71.4Confident106 Ų106114.5 Ų114.557%0.56757%0.567SS**Hα-helixtrans-65.2-38.5178.8-71.1-3.6000111.7R369 I370 L376 A377R369-N373 VanDerWaalsContact O-CB 3.31Å; R369-N373 WeakPolarHBondContact O-CB 3.25Å; R369-N373 PolarHBondContact O-N 3.43Å; R369-N373 VanDerWaalsContact O-N 3.07Å; R369-N373 PolarHBondContact O-ND2 2.95Å; R369-N373 PolarHBondContact O-OD1 2.84Å; I370-N373 PolarHBondContact O-N 3.23Å; N373-L376 PolarHBondContact O-N 2.81Å; N373-A377 WeakPolarHBondContact O-CB 3.32Å; N373-A377 PolarHBondContact O-N 3.28Å
374L75.3Confident73.4Confident129 Ų129113.4 Ų113.468%0.67556%0.56SS**Hα-helixtrans-65.9-40.7176.8-139.991.3000112.1I370 T372 A377 A378I370-L374 WeakPolarHBondContact O-CB 3.41Å; I370-L374 PolarHBondContact O-N 3.12Å; T372-L374 VanDerWaalsContact C-N 3.35Å; T372-L374 PolarHBondContact O-N 2.88Å; L374-A377 PolarHBondContact O-N 3.38Å; L374-A378 WeakPolarHBondContact O-CB 3.46Å; L374-A378 PolarHBondContact O-N 2.94Å
375R76.5Confident75.1Confident196 Ų196112.4 Ų112.474%0.7455%0.553SS**Hα-helixtrans-62.7-43.5173.2-86.1-177.9168.6162.9-3.1112T371 T372 A378 N379T371-R375 PolarHBondContact O-N 2.86Å; T371-R375 VanDerWaalsContact O-N 3.11Å; T372-R375 PolarHBondContact O-N 2.88Å; R375-A378 PolarHBondContact O-N 2.94Å; R375-N379 WeakPolarHBondContact O-CB 3.27Å; R375-N379 PolarHBondContact O-N 3.2Å
376L80Confident76.4Confident100 Ų100111.8 Ų111.852%0.52455%0.549SS..Hα-helixtrans-63.5-43.5178.4-174.862000111.3T372 N373 N379 H380T372-L376 PolarHBondContact O-N 3.47Å; N373-L376 PolarHBondContact O-N 2.81Å; L376-N379 PolarHBondContact O-N 3.32Å; L376-H380 PolarHBondContact O-CD2 2.86Å; L376-H380 PolarHBondContact O-N 3.35Å
377A80.9Confident77.9Confident60 Ų60106.9 Ų106.950%0.49654%0.543SS..Hα-helixtrans-62.9-41.1175.100000112.8N373 L374 H380 S381N373-A377 WeakPolarHBondContact O-CB 3.32Å; N373-A377 PolarHBondContact O-N 3.28Å; L374-A377 PolarHBondContact O-N 3.38Å; A377-H380 PolarHBondContact O-N 3.06Å; A377-S381 WeakPolarHBondContact O-CB 3.22Å; A377-S381 PolarHBondContact O-N 2.8Å; A377-S381 PolarHBondContact O-OG 3.03Å
378A81.3Confident79.2Confident52 Ų52103.4 Ų103.443%0.4353%0.531SS..Hα-helixtrans-66.1-38.9176.500000112.7L374 R375 S381 Y382L374-A378 WeakPolarHBondContact O-CB 3.46Å; L374-A378 PolarHBondContact O-N 2.94Å; R375-A378 PolarHBondContact O-N 2.94Å; A378-S381 PolarHBondContact O-OG 3.47Å; A378-S381 VanDerWaalsContact O-OG 3.11Å; A378-Y382 WeakPolarHBondContact O-CB 3.24Å; A378-Y382 PolarHBondContact O-N 3.22Å
379N81.7Confident80.1Confident108 Ų108104.3 Ų104.358%0.57853%0.532SS*.Hα-helixtrans-67.2-43175.2-72.1-6.4000111.4R375 L376 Q383R375-N379 WeakPolarHBondContact O-CB 3.27Å; R375-N379 PolarHBondContact O-N 3.2Å; L376-N379 PolarHBondContact O-N 3.32Å; N379-Q383 WeakPolarHBondContact O-CB 3.46Å; N379-Q383 VanDerWaalsContact O-CG 3.29Å; N379-Q383 WeakPolarHBondContact O-CG 3.29Å; N379-Q383 PolarHBondContact O-N 3.33Å
380H82.9Confident80.8Confident130 Ų130100 Ų10060%0.60253%0.528SS*.Hα-helixtrans-65.7-40176-92-81.9000112.9L376 A377 Q383 F384L376-H380 PolarHBondContact O-CD2 2.86Å; L376-H380 PolarHBondContact O-N 3.35Å; A377-H380 PolarHBondContact O-N 3.06Å; H380-Q383 PolarHBondContact O-N 2.96Å; H380-F384 WeakPolarHBondContact O-CB 3.36Å; H380-F384 PolarHBondContact O-N 3.45Å
381S83.9Confident81.4Confident63 Ų63100.1 Ų100.144%0.44154%0.538SS..Hα-helixtrans-68.9-38.5177.966.60000112A377 A378 F384 F385A377-S381 WeakPolarHBondContact O-CB 3.22Å; A377-S381 PolarHBondContact O-N 2.8Å; A377-S381 PolarHBondContact O-OG 3.03Å; A378-S381 PolarHBondContact O-OG 3.47Å; A378-S381 VanDerWaalsContact O-OG 3.11Å; S381-F384 PolarHBondContact O-N 3.35Å; S381-F385 WeakPolarHBondContact O-CB 3.37Å; S381-F385 WeakPolarHBondContact O-CD2 3.19Å; S381-F385 PolarHBondContact O-N 3.01Å
382Y86.4Confident81.8Confident167 Ų167103.1 Ų103.166%0.65555%0.55SS**Hα-helixtrans-60.2-49.7172.4-177.5-95.7000111.8A378 F384 F385 S386A378-Y382 WeakPolarHBondContact O-CB 3.24Å; A378-Y382 PolarHBondContact O-N 3.22Å; Y382-F384 VanDerWaalsContact C-N 3.34Å; Y382-F384 PolarHBondContact O-N 3.49Å; Y382-F385 PolarHBondContact O-N 3.46Å; Y382-S386 PolarHBondContact O-N 3.23Å; Y382-S386 PolarHBondContact O-OG 2.87Å
383Q87.2Confident81.5Confident123 Ų123105.1 Ų105.158%0.57556%0.557SS**Hα-helixtrans-60.5-41.1178.1-72.4-69.5-12.500112.5N379 H380 S386 A387N379-Q383 WeakPolarHBondContact O-CB 3.46Å; N379-Q383 VanDerWaalsContact O-CG 3.29Å; N379-Q383 WeakPolarHBondContact O-CG 3.29Å; N379-Q383 PolarHBondContact O-N 3.33Å; H380-Q383 PolarHBondContact O-N 2.96Å; Q383-S386 WeakPolarHBondContact CA-OG 3.24Å; Q383-S386 PolarHBondContact O-N 3.35Å; Q383-S386 PolarHBondContact O-OG 3.45Å; Q383-A387 WeakPolarHBondContact O-CB 3.37Å; Q383-A387 PolarHBondContact O-N 2.93Å
384F87.9Confident80.6Confident137 Ų137105.4 Ų105.460%0.60157%0.565SS**Hα-helixtrans-63.5-44.1175-177.5-93.8000111.8H380 S381 Y382 A387 L388H380-F384 WeakPolarHBondContact O-CB 3.36Å; H380-F384 PolarHBondContact O-N 3.45Å; S381-F384 PolarHBondContact O-N 3.35Å; Y382-F384 VanDerWaalsContact C-N 3.34Å; Y382-F384 PolarHBondContact O-N 3.49Å; F384-A387 PolarHBondContact O-N 2.99Å; F384-L388 HydrophobicContact CE1-CD1 3.85Å; F384-L388 HydrophobicContact CZ-CD1 4.23Å; F384-L388 VanDerWaalsContact O-CB 3.26Å; F384-L388 WeakPolarHBondContact O-CB 3.36Å; F384-L388 PolarHBondContact O-N 3.44Å
385F86.2Confident79.6Confident129 Ų129107.8 Ų107.857%0.56657%0.572SS**Hα-helixtrans-65.3-41176.5-98.2-83.4000112.9S381 Y382 L388 I389S381-F385 WeakPolarHBondContact O-CB 3.37Å; S381-F385 WeakPolarHBondContact O-CD2 3.19Å; S381-F385 PolarHBondContact O-N 3.01Å; Y382-F385 PolarHBondContact O-N 3.46Å; F385-L388 PolarHBondContact O-N 2.88Å; F385-I389 VanDerWaalsContact O-CG1 3.3Å; F385-I389 WeakPolarHBondContact O-CG1 3.5Å; F385-I389 PolarHBondContact O-N 3.4Å
386S84.2Confident78.5Confident42 Ų42107 Ų10729%0.29458%0.577SS.*Hα-helixtrans-64.5-43.4175.550.50000111.7Y382 Q383 L388 I389 S390Y382-S386 PolarHBondContact O-N 3.23Å; Y382-S386 PolarHBondContact O-OG 2.87Å; Q383-S386 WeakPolarHBondContact CA-OG 3.24Å; Q383-S386 PolarHBondContact O-N 3.35Å; Q383-S386 PolarHBondContact O-OG 3.45Å; S386-L388 PolarHBondContact O-N 2.94Å; S386-I389 PolarHBondContact O-N 3.45Å; S386-S390 PolarHBondContact O-N 3.18Å; S386-S390 PolarHBondContact O-OG 2.85Å
387A85.6Confident77.4Confident58 Ų58107.7 Ų107.748%0.47959%0.587SS.*Hα-helixtrans-63.8-40.2176.300000112.3Q383 F384 S390 S391Q383-A387 WeakPolarHBondContact O-CB 3.37Å; Q383-A387 PolarHBondContact O-N 2.93Å; F384-A387 PolarHBondContact O-N 2.99Å; A387-S390 PolarHBondContact O-N 3.26Å; A387-S391 VanDerWaalsContact O-CB 3.27Å; A387-S391 WeakPolarHBondContact O-CB 3.37Å; A387-S391 PolarHBondContact O-N 2.94Å
388L85.9Confident76.9Confident75 Ų75110.3 Ų110.339%0.39360%0.599SS.*Hα-helixtrans-65.6-38.8177.2-176.5148.9000112.3F384 F385 S386 I392F384-L388 HydrophobicContact CE1-CD1 3.85Å; F384-L388 HydrophobicContact CZ-CD1 4.23Å; F384-L388 VanDerWaalsContact O-CB 3.26Å; F384-L388 WeakPolarHBondContact O-CB 3.36Å; F384-L388 PolarHBondContact O-N 3.44Å; F385-L388 PolarHBondContact O-N 2.88Å; S386-L388 PolarHBondContact O-N 2.94Å; L388-I392 HydrophobicContact CD2-CD1 4.07Å; L388-I392 PolarHBondContact O-N 3.01Å
389I83Confident76.1Confident101 Ų101113.9 Ų113.952%0.51862%0.618SS.*Hα-helixtrans-69.5-43175.5-69.2167.4000110.9F385 S386 S391 I392F385-I389 VanDerWaalsContact O-CG1 3.3Å; F385-I389 WeakPolarHBondContact O-CG1 3.5Å; F385-I389 PolarHBondContact O-N 3.4Å; S386-I389 PolarHBondContact O-N 3.45Å; I389-S391 VanDerWaalsContact C-N 3.32Å; I389-S391 PolarHBondContact O-N 3.42Å; I389-I392 PolarHBondContact O-N 2.78Å
390S76.8Confident74.8Confident82 Ų82116.6 Ų116.657%0.57363%0.632SS**Hα-helixtrans-61.6-39.4174.4-66.80000112.4S386 A387 I392 I393S386-S390 PolarHBondContact O-N 3.18Å; S386-S390 PolarHBondContact O-OG 2.85Å; A387-S390 PolarHBondContact O-N 3.26Å; S390-I392 PolarHBondContact O-N 2.93Å; S390-I393 PolarHBondContact O-N 3.13Å; S390-I393 VanDerWaalsContact O-N 3.15Å
391S82.2Confident73.4Confident105 Ų105118 Ų11873%0.73464%0.638SS**Hα-helixtrans-64.2-18.1177.4-166.90000114.1A387 I389A387-S391 VanDerWaalsContact O-CB 3.27Å; A387-S391 WeakPolarHBondContact O-CB 3.37Å; A387-S391 PolarHBondContact O-N 2.94Å; I389-S391 VanDerWaalsContact C-N 3.32Å; I389-S391 PolarHBondContact O-N 3.42Å
392I80.4Confident72.3Confident128 Ų128123 Ų12366%0.65666%0.659SS**THydrogen-bonded Turntrans-84.6-12.8177.7-79.1171.8000112.5L388 I389 S390 P394L388-I392 HydrophobicContact CD2-CD1 4.07Å; L388-I392 PolarHBondContact O-N 3.01Å; I389-I392 PolarHBondContact O-N 2.78Å; S390-I392 PolarHBondContact O-N 2.93Å; I392-P394 WeakPolarHBondContact O-CD 3.49Å
393I69Low71.2Confident116 Ų116125.4 Ų125.460%0.59568%0.683SS**SBendtrans-94.9114.5178.6-56.1177000109.1S390 E395S390-I393 PolarHBondContact O-N 3.13Å; S390-I393 VanDerWaalsContact O-N 3.15Å; I393-E395 PolarHBondContact O-N 2.9Å
394P55.4Low70.4Confident113 Ų113125.6 Ų125.673%0.73469%0.689SS**PPolyproline II helixtrans-74.8117.8175.429.5-32.8000110.9I392 Q396I392-P394 WeakPolarHBondContact O-CD 3.49Å; P394-Q396 PolarHBondContact O-N 3.41Å
395E54.8Low69.5Low179 Ų179124.9 Ų124.984%0.83669%0.693SS**PPolyproline II helixtrans-54.8130.7166.2-74.5-74.7132.400110.4I393I393-E395 PolarHBondContact O-N 2.9Å
396Q52Low68.5Low180 Ų180124.7 Ų124.784%0.84170%0.7SS**PPolyproline II helixtrans-76.9133.6174.5-73-172.2-50.900110.3P394P394-Q396 PolarHBondContact O-N 3.41Å
397P58.7Low67.6Low114 Ų114129.6 Ų129.674%0.7472%0.724SS**PPolyproline II helixtrans-65.7145.5173.228.2-34.1000110.8
398P68.8Low66.5Low115 Ų115134.1 Ų134.175%0.74774%0.74SS**PPolyproline II helixtrans-61147.4179.5-23.934.1000113.1L400P398-L400 PolarHBondContact O-N 3.3Å
399P65.9Low65.2Low126 Ų126138 Ų13882%0.81876%0.763SS**PPolyproline II helixtrans-68.5119.7174.228.5-33.6000110.6
400L54Low63.9Low165 Ų165140.6 Ų140.686%0.86478%0.78SS**PPolyproline II helixtrans-76.7120.7169.2-87.7162.1000109.9P398P398-L400 PolarHBondContact O-N 3.3Å
401H53.5Low62.9Low161 Ų161145.2 Ų145.275%0.74580%0.796SS**PPolyproline II helixtrans-66.3142.8158.3-106.5-121.9000109.6D403H401-D403 IonicContact ND1-OD1 3.1Å
402L60.1Low61.3Low168 Ų168148.5 Ų148.588%0.8880%0.801SS**  trans-128.5108.8164.8-87.5158.2000106.4
403D63.5Low59.6Low217 Ų217150.4 Ų150.4100%1.1682%0.815SS**  trans-84.60166.1-58.7-50.3000110.3H401H401-D403 IonicContact ND1-OD1 3.1Å

Retrieved 403 of 403 residues in 143.7 ms (Link to these results)

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