A0A061HZ16_CRIGR Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A061HZ16, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rnf152, Length 203 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
1M42.3Very low62Low218 Ų218103.5 Ų103.5100%1.07455%0.549SS*.  0129055.3-141.4-176.400108.3
2E43Very low64.4Low171 Ų17194.8 Ų94.880%0.79950%0.504SS*.  trans60.657.5150.5-57168.8138.700118.9
3T47.4Very low66.4Low118 Ų11894.8 Ų94.872%0.72450%0.499SS*.  trans-94.4-14.7160.549.20000113.8S5T3-S5 VanDerWaalsContact C-N 3.26Å; T3-S5 PolarHBondContact O-N 3.09Å
4L50.9Low68.1Low155 Ų15592.5 Ų92.581%0.81249%0.486SS*.Hα-helixtrans-74.2-7.1-175.6-67.6172.6000115
5S57.2Low69.6Low68 Ų6889 Ų8948%0.47647%0.472SS..Hα-helixtrans-84.8-35.1-173.549.20000113.5T3 S8T3-S5 VanDerWaalsContact C-N 3.26Å; T3-S5 PolarHBondContact O-N 3.09Å; S5-S8 PolarHBondContact O-N 3.22Å; S5-S8 PolarHBondContact O-OG 2.85Å
6Q58Low70.9Confident127 Ų12792.1 Ų92.159%0.59348%0.48SS*.Hα-helixtrans-71-40.4-173.4-77.2-176.6-26.300113.5S8 L9 L10Q6-S8 VanDerWaalsContact C-N 3.27Å; Q6-S8 PolarHBondContact O-N 3.14Å; Q6-L9 PolarHBondContact O-N 3.2Å; Q6-L9 VanDerWaalsContact O-N 3.12Å; Q6-L10 PolarHBondContact O-N 2.92Å
7D63Low71.8Confident81 Ų8190.4 Ų90.443%0.43347%0.472SS..Hα-helixtrans-61.4-38.2178.2-61.2-37.9000111.7L9 L10 E11D7-L9 PolarHBondContact O-N 2.86Å; D7-L10 PolarHBondContact O-N 3.42Å; D7-L10 VanDerWaalsContact O-N 3.08Å; D7-E11 PolarHBondContact O-N 2.94Å; D7-E11 VanDerWaalsContact O-N 3.17Å
8S69.2Low72.6Confident61 Ų6192.8 Ų92.843%0.42748%0.475SS..Hα-helixtrans-63.4-27.5177.9780000113.8S5 Q6 Q13S5-S8 PolarHBondContact O-N 3.22Å; S5-S8 PolarHBondContact O-OG 2.85Å; Q6-S8 VanDerWaalsContact C-N 3.27Å; Q6-S8 PolarHBondContact O-N 3.14Å; S8-Q13 PolarHBondContact O-NE2 2.97Å
9L78.1Confident73.4Confident83 Ų8389.1 Ų89.144%0.43545%0.454SS..Hα-helixtrans-79.9-28.8175.9-171.1148.7000111.6Q6 D7 E11 Y19 V75 V78Q6-L9 PolarHBondContact O-N 3.2Å; Q6-L9 VanDerWaalsContact O-N 3.12Å; D7-L9 PolarHBondContact O-N 2.86Å; L9-E11 VanDerWaalsContact C-N 3.34Å; L9-Y19 WeakPolarHBondContact O-CE2 3.43Å; L9-V75 HydrophobicContact CD2-CG1 4.36Å; L9-V75 HydrophobicContact CD2-CG2 4.22Å; L9-V78 HydrophobicContact CD2-CB 4.18Å; L9-V78 HydrophobicContact CD2-CG1 4.16Å; L9-V78 HydrophobicContact CD2-CG2 4.07Å
10L83.8Confident73.9Confident18 Ų1886.8 Ų86.89%0.09445%0.447CS..Hα-helixtrans-82.3-8.6177.4-74.5174.4000114.2Q6 D7 Y18 Y19 V78 I79Q6-L10 PolarHBondContact O-N 2.92Å; D7-L10 PolarHBondContact O-N 3.42Å; D7-L10 VanDerWaalsContact O-N 3.08Å; L10-Y18 HydrophobicContact CB-CD1 4.19Å; L10-Y18 WeakPolarHBondContact O-CA 3.44Å; L10-Y19 VanDerWaalsContact C-CD2 3.42Å; L10-Y19 WeakPolarHBondContact O-CD2 3.48Å; L10-Y19 PolarHBondContact O-N 2.96Å; L10-V78 HydrophobicContact CD1-CG1 4.48Å; L10-V78 HydrophobicContact CD2-CB 4.35Å; L10-V78 HydrophobicContact CD2-CG1 3.69Å; L10-V78 HydrophobicContact CG-CG1 4.1Å; L10-I79 HydrophobicContact CD2-CG1 3.61Å
11E89.6Confident74.2Confident38 Ų3887.8 Ų87.818%0.17846%0.459CS..BIsolated β-bridgetrans-112.3147.2-179.2-70.8-178.7-154.700113.5D7 L9 Q13 Y18D7-E11 PolarHBondContact O-N 2.94Å; D7-E11 VanDerWaalsContact O-N 3.17Å; L9-E11 VanDerWaalsContact C-N 3.34Å; E11-Q13 PolarHBondContact O-N 2.84Å; E11-Y18 HydrophobicContact CG-CD1 3.55Å; E11-Y18 HydrophobicContact CG-CE1 3.49Å; E11-Y18 VanDerWaalsContact CG-CE1 3.49Å; E11-Y18 HydrophobicContact CG-CG 4.19Å; E11-Y18 WeakPolarHBondContact OE1-CE1 3.43Å; E11-Y18 PolarHBondContact OE1-OH 3.49Å
12C90.3Very high76.1Confident0 Ų088 Ų880%045%0.448CS..  trans-77.3117.1172.5-179.90000112I14 C15 F16 N17 Y19 C35 C38C12-I14 PolarHBondContact O-N 2.77Å; C12-C15 PolarHBondContact O-N 3.49Å; C12-C15 VanDerWaalsContact O-N 3.08Å; C12-F16 WeakPolarHBondContact O-CA 3.17Å; C12-F16 PolarHBondContact O-N 2.93Å; C12-N17 PolarHBondContact N-O 3.18Å; C12-Y19 HydrophobicContact CB-CE1 3.91Å; C12-C35 HydrophobicContact CB-CB 3.72Å; C12-C38 PolarHBondContact SG-SG 3.39Å
13Q90.3Very high78.3Confident94 Ų9483 Ų8344%0.43942%0.421SS..THydrogen-bonded Turntrans-61.55-179.7-60.1-58-4500116.7S8 E11 W53S8-Q13 PolarHBondContact O-NE2 2.97Å; E11-Q13 PolarHBondContact O-N 2.84Å; Q13-W53 HydrophobicContact CB-CZ2 4.4Å
14I90.7Very high80.3Confident63 Ų6381.9 Ų81.932%0.32340%0.404SS..THydrogen-bonded Turntrans-112.6-32.3176.5-54.1-178.4000111.8C12 C34 M42 P52 W53C12-I14 PolarHBondContact O-N 2.77Å; I14-C34 WeakPolarHBondContact CD1-SG 3.45Å; I14-M42 HydrophobicContact CD1-CE 3.68Å; I14-M42 HydrophobicContact CD1-SD 4.26Å; I14-P52 HydrophobicContact CD1-CB 3.92Å; I14-P52 HydrophobicContact CD1-CG 3.38Å; I14-W53 HydrophobicContact CD1-CH2 3.93Å; I14-W53 HydrophobicContact CD1-CZ2 3.87Å; I14-W53 HydrophobicContact CG1-CH2 4.31Å; I14-W53 HydrophobicContact CG1-CZ2 3.82Å
15C90.6Very high82.3Confident40 Ų4074.5 Ų74.527%0.2737%0.365SS..THydrogen-bonded Turntrans-126.5-0.6-174.969.60000114C12 N17 C38C12-C15 PolarHBondContact O-N 3.49Å; C12-C15 VanDerWaalsContact O-N 3.08Å; C15-N17 PolarHBondContact O-N 2.56Å; C15-N17 VanDerWaalsContact O-N 3.14Å; C15-N17 PolarHBondContact O-ND2 2.92Å; C15-C38 PolarHBondContact SG-SG 2.94Å
16F89.4Confident84Confident138 Ų13871.6 Ų71.661%0.60534%0.344SS*.  trans48.743.5176.9-49.4-75.9000112.1C12C12-F16 WeakPolarHBondContact O-CA 3.17Å; C12-F16 PolarHBondContact O-N 2.93Å
17N86.8Confident85.6Confident63 Ų6367.2 Ų67.234%0.33732%0.324SS..  trans-117.6136.2175-84.1-120.3000107.9C12 C15 R23C12-N17 PolarHBondContact N-O 3.18Å; C15-N17 PolarHBondContact O-N 2.56Å; C15-N17 VanDerWaalsContact O-N 3.14Å; C15-N17 PolarHBondContact O-ND2 2.92Å; N17-R23 PolarHBondContact OD1-NH1 3Å; N17-R23 PolarHBondContact OD1-NH2 3Å
18Y86.6Confident87Confident135 Ų13563.5 Ų63.553%0.52931%0.305SS..BIsolated β-bridgetrans-53.4139.6170.7-64.7-69.7000112.4L10 E11 R23L10-Y18 HydrophobicContact CB-CD1 4.19Å; L10-Y18 WeakPolarHBondContact O-CA 3.44Å; E11-Y18 HydrophobicContact CG-CD1 3.55Å; E11-Y18 HydrophobicContact CG-CE1 3.49Å; E11-Y18 VanDerWaalsContact CG-CE1 3.49Å; E11-Y18 HydrophobicContact CG-CG 4.19Å; E11-Y18 WeakPolarHBondContact OE1-CE1 3.43Å; E11-Y18 PolarHBondContact OE1-OH 3.49Å; Y18-R23 WeakPolarHBondContact O-CD 3.35Å
19Y86.8Confident88.1Confident21 Ų2165.5 Ų65.58%0.08231%0.311CS..  trans-65.3149.8167.1-62.6-62.2000111L9 L10 C12 R23 P25 C35 V75 I79L9-Y19 WeakPolarHBondContact O-CE2 3.43Å; L10-Y19 VanDerWaalsContact C-CD2 3.42Å; L10-Y19 WeakPolarHBondContact O-CD2 3.48Å; L10-Y19 PolarHBondContact O-N 2.96Å; C12-Y19 HydrophobicContact CB-CE1 3.91Å; Y19-R23 WeakPolarHBondContact CA-O 3.45Å; Y19-R23 WeakPolarHBondContact CD1-O 3.47Å; Y19-P25 HydrophobicContact CD1-CB 3.79Å; Y19-P25 HydrophobicContact CD1-CG 4.36Å; Y19-P25 HydrophobicContact CD2-CB 4.28Å; Y19-P25 HydrophobicContact CE1-CB 3.7Å; Y19-P25 HydrophobicContact CE2-CB 4.22Å; Y19-P25 HydrophobicContact CG-CB 4.09Å; Y19-P25 HydrophobicContact CG-CG 4.33Å; Y19-C35 HydrophobicContact CD1-CB 4.37Å; Y19-C35 HydrophobicContact CE1-CB 3.99Å; Y19-V75 HydrophobicContact CD2-CG1 3.54Å; Y19-V75 HydrophobicContact CE2-CG1 3.64Å; Y19-V75 HydrophobicContact CG-CG1 4.42Å; Y19-I79 HydrophobicContact CD2-CD1 4.11Å; Y19-I79 HydrophobicContact CG-CD1 3.97Å
20S83.2Confident88.7Confident43 Ų4363.4 Ų63.430%0.30130%0.302SS..BIsolated β-bridgetrans-159.8169.9-178.156.80000109.7R22 R23 R24S20-R22 PolarHBondContact O-N 3.31Å; S20-R23 PolarHBondContact N-O 2.92Å; S20-R23 VanDerWaalsContact N-O 3.15Å; S20-R23 CarbonylContact O-C 3.08Å; S20-R23 WeakPolarHBondContact O-CA 3.43Å; S20-R23 PolarHBondContact O-N 2.91Å; S20-R23 WeakPolarHBondContact OG-CB 3.13Å; S20-R23 PolarHBondContact OG-N 2.92Å; S20-R24 PolarHBondContact O-N 3Å
21P81.6Confident89.1Confident108 Ų10870.2 Ų70.270%0.70133%0.331SS*.THydrogen-bonded Turntrans-55.2-27.8176.9-28.936.7000114.4R24P21-R24 VanDerWaalsContact O-CG 3.31Å; P21-R24 WeakPolarHBondContact O-CG 3.32Å
22R82.1Confident89.2Confident224 Ų22471.8 Ų71.885%0.84534%0.338SS*.THydrogen-bonded Turntrans-87.9-17174.4-63.9-173.6-178.5-125.11.7113.9S20S20-R22 PolarHBondContact O-N 3.31Å
23R89Confident89.3Confident65 Ų6573 Ų7325%0.24535%0.346CS..BIsolated β-bridgetrans-131.962.4-174.2-161.6-167.5-54.6-1029.3108.8N17 Y18 Y19 S20 C35 V37N17-R23 PolarHBondContact OD1-NH1 3Å; N17-R23 PolarHBondContact OD1-NH2 3Å; Y18-R23 WeakPolarHBondContact O-CD 3.35Å; Y19-R23 WeakPolarHBondContact CA-O 3.45Å; Y19-R23 WeakPolarHBondContact CD1-O 3.47Å; S20-R23 PolarHBondContact N-O 2.92Å; S20-R23 VanDerWaalsContact N-O 3.15Å; S20-R23 CarbonylContact O-C 3.08Å; S20-R23 WeakPolarHBondContact O-CA 3.43Å; S20-R23 PolarHBondContact O-N 2.91Å; S20-R23 WeakPolarHBondContact OG-CB 3.13Å; S20-R23 PolarHBondContact OG-N 2.92Å; R23-C35 HydrophobicContact CG-CB 4Å; R23-V37 HydrophobicContact CG-CB 4.47Å; R23-V37 HydrophobicContact CG-CG2 4.02Å
24R89.9Confident89.4Confident95 Ų9568.5 Ų68.536%0.35833%0.325SS..  trans-74.5147.4-170.4-51.5-161.979.9140.14.5112S20 P21 K26 S36 D71S20-R24 PolarHBondContact O-N 3Å; P21-R24 VanDerWaalsContact O-CG 3.31Å; P21-R24 WeakPolarHBondContact O-CG 3.32Å; R24-K26 PolarHBondContact O-N 2.59Å; R24-S36 PolarHBondContact N-OG 3.28Å; R24-S36 PolarHBondContact O-N 2.76Å; R24-D71 WeakPolarHBondContact CB-OD1 3.47Å; R24-D71 WeakPolarHBondContact CD-OD2 3.07Å; R24-D71 IonicContact CZ-OD2 3.93Å; R24-D71 IonicContact NE-OD1 2.95Å; R24-D71 IonicContact NE-OD2 3.86Å; R24-D71 PolarHBondContact NE-OD2 3.01Å; R24-D71 IonicContact NH2-OD2 2.68Å
25P91.9Very high89.5Confident0 Ų065.5 Ų65.50%031%0.309CS..EExtended strand (participates in β ladder)trans-73.5108.4173.430.3-32.9000109.2Y19 T33 D71 D72 V75 L76 I79Y19-P25 HydrophobicContact CD1-CB 3.79Å; Y19-P25 HydrophobicContact CD1-CG 4.36Å; Y19-P25 HydrophobicContact CD2-CB 4.28Å; Y19-P25 HydrophobicContact CE1-CB 3.7Å; Y19-P25 HydrophobicContact CE2-CB 4.22Å; Y19-P25 HydrophobicContact CG-CB 4.09Å; Y19-P25 HydrophobicContact CG-CG 4.33Å; P25-T33 HydrophobicContact CB-CG2 3.54Å; P25-D71 CarbonylContact O-C 3.48Å; P25-D71 WeakPolarHBondContact O-CA 3.37Å; P25-D72 HydrophobicContact CB-CB 4.22Å; P25-D72 HydrophobicContact CG-CB 4.45Å; P25-D72 PolarHBondContact O-N 2.97Å; P25-V75 HydrophobicContact CB-CB 4.1Å; P25-V75 HydrophobicContact CB-CG1 3.84Å; P25-V75 HydrophobicContact CG-CB 4Å; P25-V75 HydrophobicContact CG-CG1 3.81Å; P25-L76 HydrophobicContact CG-CD2 4.04Å; P25-L76 HydrophobicContact CG-CG 4.19Å; P25-I79 HydrophobicContact CG-CD1 3.91Å
26K92.5Very high89.6Confident7 Ų764.1 Ų64.13%0.0330%0.3CS..EExtended strand (participates in β ladder)trans-94.4126.9-180-66.4-51.4-167.4-177.80111.3R24 T33 C34 L39 V66 S67 L69 D71R24-K26 PolarHBondContact O-N 2.59Å; K26-T33 WeakPolarHBondContact O-CA 3.2Å; K26-C34 WeakPolarHBondContact CB-O 3.35Å; K26-C34 PolarHBondContact N-O 3.44Å; K26-C34 PolarHBondContact O-N 3.14Å; K26-L39 HydrophobicContact CB-CD1 3.63Å; K26-L39 HydrophobicContact CG-CD1 4.36Å; K26-V66 WeakPolarHBondContact CE-O 3.41Å; K26-S67 VanDerWaalsContact CE-O 3.24Å; K26-S67 WeakPolarHBondContact CE-O 3.24Å; K26-S67 PolarHBondContact NZ-O 3.43Å; K26-L69 HydrophobicContact CB-CB 4.32Å; K26-L69 HydrophobicContact CD-CB 4.04Å; K26-L69 WeakPolarHBondContact CD-O 3.09Å; K26-L69 WeakPolarHBondContact CE-O 3.15Å; K26-L69 HydrophobicContact CG-CB 4.35Å; K26-L69 PolarHBondContact NZ-O 2.92Å; K26-D71 VanDerWaalsContact CD-OD1 3.22Å; K26-D71 WeakPolarHBondContact CD-OD1 3.37Å; K26-D71 VanDerWaalsContact CE-OD1 3.25Å; K26-D71 WeakPolarHBondContact CE-OD1 3.31Å; K26-D71 IonicContact NZ-OD1 3.9Å; K26-D71 PolarHBondContact NZ-OD1 2.93Å; K26-D71 IonicContact NZ-OD2 3.44Å
27L93Very high89.7Confident34 Ų3459.3 Ų59.318%0.17828%0.282CS..EExtended strand (participates in β ladder)trans-84.7128.8176-171.367.2000110T33 P70L27-T33 VanDerWaalsContact CD1-OG1 3.32Å; L27-T33 WeakPolarHBondContact CD1-OG1 3.33Å; L27-P70 HydrophobicContact CB-CG 4.49Å; L27-P70 PolarHBondContact N-O 3.06Å
28L92.3Very high90Very high3 Ų356.9 Ų56.92%0.01627%0.27CS..PPolyproline II helixtrans-90162.7173.9-62.5175.7000111.3C30 K31 H32 L39 V49 C51 T58 L69L28-C30 PolarHBondContact O-N 3.3Å; L28-C30 VanDerWaalsContact O-N 3.14Å; L28-K31 WeakPolarHBondContact O-CA 3.38Å; L28-K31 PolarHBondContact O-N 2.92Å; L28-H32 WeakPolarHBondContact CB-O 3.32Å; L28-H32 PolarHBondContact N-O 2.95Å; L28-L39 HydrophobicContact CD1-CD2 4.23Å; L28-L39 HydrophobicContact CD2-CD1 3.85Å; L28-L39 HydrophobicContact CD2-CD2 4.14Å; L28-V49 HydrophobicContact CD2-CG1 3.55Å; L28-C51 HydrophobicContact CD1-CB 3.73Å; L28-T58 HydrophobicContact CD2-CG2 4.39Å; L28-L69 HydrophobicContact CD2-CD1 4.37Å
29D91.1Very high90.3Very high104 Ų10450.5 Ų50.556%0.55625%0.245SC*.THydrogen-bonded Turntrans-56.9-32.8177.2-64.1-27000112.1K31 T58D29-K31 PolarHBondContact O-N 3.48Å; D29-T58 WeakPolarHBondContact CB-OG1 3.44Å; D29-T58 PolarHBondContact N-OG1 3.4Å; D29-T58 WeakPolarHBondContact OD2-CA 3.39Å; D29-T58 WeakPolarHBondContact OD2-CB 3.43Å; D29-T58 WeakPolarHBondContact OD2-CG2 3.3Å; D29-T58 PolarHBondContact OD2-OG1 3.49Å
30C92.4Very high90.5Very high38 Ų3854 Ų5426%0.25726%0.262SS..THydrogen-bonded Turntrans-79.416.3174.565.60000114.5L28 H32 C51 C54L28-C30 PolarHBondContact O-N 3.3Å; L28-C30 VanDerWaalsContact O-N 3.14Å; C30-H32 PolarHBondContact O-N 2.89Å; C30-H32 VanDerWaalsContact O-N 3.09Å; C30-H32 PolarHBondContact O-ND1 3.3Å; C30-C51 WeakPolarHBondContact SG-CB 3.47Å; C30-C54 VanDerWaalsContact CB-SG 3.56Å
31K90.4Very high90.8Very high162 Ų16258.7 Ų58.770%0.70428%0.279SS*.SBendtrans60.313.6177.9-52.4-58.5-175.9177.90116.5L28 D29L28-K31 WeakPolarHBondContact O-CA 3.38Å; L28-K31 PolarHBondContact O-N 2.92Å; D29-K31 PolarHBondContact O-N 3.48Å
32H92.1Very high91.1Very high70 Ų7056.9 Ų56.932%0.32426%0.262SS..  trans-89.8145.2171.1-68.378000111.1L28 C30 W53L28-H32 WeakPolarHBondContact CB-O 3.32Å; L28-H32 PolarHBondContact N-O 2.95Å; C30-H32 PolarHBondContact O-N 2.89Å; C30-H32 VanDerWaalsContact O-N 3.09Å; C30-H32 PolarHBondContact O-ND1 3.3Å; H32-W53 HydrophobicContact CB-CD2 4.48Å; H32-W53 HydrophobicContact CB-CE3 3.51Å; H32-W53 HydrophobicContact CB-CZ3 3.81Å; H32-W53 AromaticContact CD2-CD2 3.96Å; H32-W53 AromaticContact CD2-CE3 3.8Å; H32-W53 AromaticContact CD2-CG 3.92Å; H32-W53 AromaticContact CG-CE3 3.9Å
33T92.2Very high91.3Very high25 Ų2548.6 Ų48.615%0.15323%0.231CC..EExtended strand (participates in β ladder)trans-112.2129.6-174.7-67.20000111.8P25 K26 L27 W53 D72 V75P25-T33 HydrophobicContact CB-CG2 3.54Å; K26-T33 WeakPolarHBondContact O-CA 3.2Å; L27-T33 VanDerWaalsContact CD1-OG1 3.32Å; L27-T33 WeakPolarHBondContact CD1-OG1 3.33Å; T33-W53 WeakPolarHBondContact O-CH2 3.32Å; T33-D72 WeakPolarHBondContact CB-OD2 3.38Å; T33-D72 HydrophobicContact CG2-CB 3.61Å; T33-D72 WeakPolarHBondContact CG2-OD2 3.2Å; T33-D72 PolarHBondContact OG1-OD2 2.77Å; T33-V75 HydrophobicContact CG2-CG2 4.45Å
34C92.5Very high91Very high0 Ų050.2 Ų50.20%025%0.248CC..EExtended strand (participates in β ladder)trans-141.2149.9-174.7-170.80000111.8I14 K26 S36 L39 W53I14-C34 WeakPolarHBondContact CD1-SG 3.45Å; K26-C34 WeakPolarHBondContact CB-O 3.35Å; K26-C34 PolarHBondContact N-O 3.44Å; K26-C34 PolarHBondContact O-N 3.14Å; C34-S36 PolarHBondContact O-N 3.4Å; C34-L39 HydrophobicContact CB-CD1 4.06Å; C34-L39 HydrophobicContact CB-CD2 3.65Å; C34-L39 HydrophobicContact CB-CG 3.67Å; C34-W53 HydrophobicContact CB-CH2 3.62Å; C34-W53 HydrophobicContact CB-CZ3 3.8Å
35C92.6Very high90.7Very high0 Ų047.6 Ų47.60%024%0.244CC..EExtended strand (participates in β ladder)trans-63.7138.5178.6101.80000112.7C12 Y19 R23 V37 C38 L39C12-C35 HydrophobicContact CB-CB 3.72Å; Y19-C35 HydrophobicContact CD1-CB 4.37Å; Y19-C35 HydrophobicContact CE1-CB 3.99Å; R23-C35 HydrophobicContact CG-CB 4Å; C35-V37 VanDerWaalsContact C-N 3.25Å; C35-V37 PolarHBondContact O-N 3.31Å; C35-C38 HydrophobicContact CB-CB 4.15Å; C35-C38 WeakPolarHBondContact CB-SG 3.27Å; C35-C38 WeakPolarHBondContact O-CA 3.23Å; C35-C38 WeakPolarHBondContact O-CB 3.17Å; C35-C38 PolarHBondContact O-N 2.86Å; C35-C38 WeakPolarHBondContact SG-CB 3.25Å; C35-C38 PolarHBondContact SG-N 2.79Å; C35-C38 CovalentContact SG-SG 2.06Å; C35-C38 PolarHBondContact SG-SG 3.23Å; C35-L39 PolarHBondContact O-N 2.68Å
36S92.4Very high90.2Very high11 Ų1155.8 Ų55.88%0.07728%0.283CS..Hα-helixtrans-51.6-42.4178.860.20000113.4R24 C34 C38 Q40 V66R24-S36 PolarHBondContact N-OG 3.28Å; R24-S36 PolarHBondContact O-N 2.76Å; C34-S36 PolarHBondContact O-N 3.4Å; S36-C38 VanDerWaalsContact C-N 3.31Å; S36-C38 PolarHBondContact O-N 2.75Å; S36-Q40 VanDerWaalsContact O-CB 3.26Å; S36-Q40 WeakPolarHBondContact O-CB 3.42Å; S36-Q40 PolarHBondContact O-N 2.81Å; S36-V66 WeakPolarHBondContact O-CG1 3.49Å
37V91.9Very high89.9Confident37 Ų3763 Ų6322%0.22431%0.314CS..Hα-helixtrans-63.4-37.6177.4178.30000111.7R23 C35 Q41R23-V37 HydrophobicContact CG-CB 4.47Å; R23-V37 HydrophobicContact CG-CG2 4.02Å; C35-V37 VanDerWaalsContact C-N 3.25Å; C35-V37 PolarHBondContact O-N 3.31Å; V37-Q41 WeakPolarHBondContact O-CB 3.45Å; V37-Q41 PolarHBondContact O-N 3.17Å; V37-Q41 VanDerWaalsContact O-N 3.13Å
38C93.3Very high89.7Confident13 Ų1362.4 Ų62.49%0.08831%0.311CS..Hα-helixtrans-69.4-52.9-178-52.30000109.7C12 C15 C35 S36 Q40 Q41 M42C12-C38 PolarHBondContact SG-SG 3.39Å; C15-C38 PolarHBondContact SG-SG 2.94Å; C35-C38 HydrophobicContact CB-CB 4.15Å; C35-C38 WeakPolarHBondContact CB-SG 3.27Å; C35-C38 WeakPolarHBondContact O-CA 3.23Å; C35-C38 WeakPolarHBondContact O-CB 3.17Å; C35-C38 PolarHBondContact O-N 2.86Å; C35-C38 WeakPolarHBondContact SG-CB 3.25Å; C35-C38 PolarHBondContact SG-N 2.79Å; C35-C38 CovalentContact SG-SG 2.06Å; C35-C38 PolarHBondContact SG-SG 3.23Å; S36-C38 VanDerWaalsContact C-N 3.31Å; S36-C38 PolarHBondContact O-N 2.75Å; C38-Q40 VanDerWaalsContact C-N 3.31Å; C38-Q40 PolarHBondContact O-N 3.01Å; C38-Q41 PolarHBondContact O-N 2.93Å; C38-Q41 VanDerWaalsContact O-N 3.11Å; C38-M42 HydrophobicContact CB-CE 4.11Å; C38-M42 WeakPolarHBondContact O-CE 3.24Å; C38-M42 WeakPolarHBondContact O-CG 3.22Å; C38-M42 PolarHBondContact O-N 2.92Å
39L92.5Very high89.6Confident0 Ų062.3 Ų62.30%031%0.31CS..Hα-helixtrans-59.5-40.2176.1-70.7-176.7000112.2K26 L28 C34 C35 Q41 M42 R43 V49 V66 L69K26-L39 HydrophobicContact CB-CD1 3.63Å; K26-L39 HydrophobicContact CG-CD1 4.36Å; L28-L39 HydrophobicContact CD1-CD2 4.23Å; L28-L39 HydrophobicContact CD2-CD1 3.85Å; L28-L39 HydrophobicContact CD2-CD2 4.14Å; C34-L39 HydrophobicContact CB-CD1 4.06Å; C34-L39 HydrophobicContact CB-CD2 3.65Å; C34-L39 HydrophobicContact CB-CG 3.67Å; C35-L39 PolarHBondContact O-N 2.68Å; L39-Q41 VanDerWaalsContact C-N 3.27Å; L39-Q41 PolarHBondContact O-N 3.21Å; L39-M42 HydrophobicContact CD2-CE 4.16Å; L39-M42 PolarHBondContact O-N 3.47Å; L39-R43 WeakPolarHBondContact O-CB 3.15Å; L39-R43 PolarHBondContact O-N 3.49Å; L39-R43 VanDerWaalsContact O-N 3.07Å; L39-V49 HydrophobicContact CD2-CG1 3.99Å; L39-V66 HydrophobicContact CB-CG1 3.41Å; L39-V66 VanDerWaalsContact CB-CG1 3.41Å; L39-V66 HydrophobicContact CB-CG2 4.43Å; L39-V66 HydrophobicContact CD1-CG1 4.1Å; L39-V66 HydrophobicContact CG-CG1 4.42Å; L39-L69 HydrophobicContact CD1-CD1 4.14Å
40Q91Very high89.7Confident94 Ų9463.3 Ų63.344%0.43931%0.306SS..Hα-helixtrans-65.5-30.5177.1-176.859.741.400112.3S36 C38 V66S36-Q40 VanDerWaalsContact O-CB 3.26Å; S36-Q40 WeakPolarHBondContact O-CB 3.42Å; S36-Q40 PolarHBondContact O-N 2.81Å; C38-Q40 VanDerWaalsContact C-N 3.31Å; C38-Q40 PolarHBondContact O-N 3.01Å; Q40-V66 HydrophobicContact CB-CB 4.27Å; Q40-V66 HydrophobicContact CB-CG1 4.4Å; Q40-V66 HydrophobicContact CB-CG2 4.42Å
41Q89.6Confident89.8Confident142 Ų14261.6 Ų61.666%0.66430%0.295SS*.Hα-helixtrans-84.5-26.5178.1-170.4160.3-13.500113.3V37 C38 L39V37-Q41 WeakPolarHBondContact O-CB 3.45Å; V37-Q41 PolarHBondContact O-N 3.17Å; V37-Q41 VanDerWaalsContact O-N 3.13Å; C38-Q41 PolarHBondContact O-N 2.93Å; C38-Q41 VanDerWaalsContact O-N 3.11Å; L39-Q41 VanDerWaalsContact C-N 3.27Å; L39-Q41 PolarHBondContact O-N 3.21Å
42M87.6Confident89.8Confident70 Ų7056.5 Ų56.535%0.34528%0.278SS..Hα-helixtrans-88.9-2.4174.2-64.5-178.6-66.700113.8I14 C38 L39 T44 P52I14-M42 HydrophobicContact CD1-CE 3.68Å; I14-M42 HydrophobicContact CD1-SD 4.26Å; C38-M42 HydrophobicContact CB-CE 4.11Å; C38-M42 WeakPolarHBondContact O-CE 3.24Å; C38-M42 WeakPolarHBondContact O-CG 3.22Å; C38-M42 PolarHBondContact O-N 2.92Å; L39-M42 HydrophobicContact CD2-CE 4.16Å; L39-M42 PolarHBondContact O-N 3.47Å; M42-T44 PolarHBondContact O-N 3.26Å; M42-T44 VanDerWaalsContact O-N 3.13Å; M42-P52 HydrophobicContact CE-CB 4.34Å; M42-P52 HydrophobicContact CE-CG 4.05Å; M42-P52 HydrophobicContact SD-CB 4.12Å; M42-P52 HydrophobicContact SD-CG 4.48Å
43R86.7Confident89.9Confident50 Ų5058.2 Ų58.219%0.18928%0.282CS..  trans-66.1108.2-177.9-177.6176-171.4172.44.8111.1L39 S45 Q46 V49 F64L39-R43 WeakPolarHBondContact O-CB 3.15Å; L39-R43 PolarHBondContact O-N 3.49Å; L39-R43 VanDerWaalsContact O-N 3.07Å; R43-S45 WeakPolarHBondContact CG-O 3.38Å; R43-S45 PolarHBondContact NE-O 2.73Å; R43-Q46 PolarHBondContact NH2-O 3.26Å; R43-V49 HydrophobicContact CB-CG2 3.94Å; R43-V49 HydrophobicContact CG-CG2 4.15Å; R43-F64 PolarHBondContact NH1-O 2.93Å; R43-F64 PolarHBondContact NH2-O 3.39Å
44T82.4Confident89.9Confident100 Ų10060 Ų6061%0.61330%0.295SS*.  trans-82.3-19.917852.80000114.3M42 R50M42-T44 PolarHBondContact O-N 3.26Å; M42-T44 VanDerWaalsContact O-N 3.13Å; T44-R50 PolarHBondContact OG1-NH1 3.38Å; T44-R50 VanDerWaalsContact OG1-NH1 3.14Å
45S83.4Confident89.9Confident39 Ų3970 Ų7027%0.27333%0.333SS..SBendtrans-142.5158.5-179.695.90000112R43 K47 D48R43-S45 WeakPolarHBondContact CG-O 3.38Å; R43-S45 PolarHBondContact NE-O 2.73Å; S45-K47 PolarHBondContact O-N 3.12Å; S45-K47 PolarHBondContact OG-N 3.48Å; S45-D48 WeakPolarHBondContact CB-OD1 3.46Å; S45-D48 PolarHBondContact OG-N 2.91Å; S45-D48 PolarHBondContact OG-OD1 2.83Å
46Q82.3Confident89.8Confident172 Ų17271.1 Ų71.180%0.80434%0.344SS*.SBendtrans-71.3-8.9171.7-68.8-164.8-0.100113.5R43R43-Q46 PolarHBondContact NH2-O 3.26Å
47K85.4Confident89.8Confident160 Ų16074.5 Ų74.570%0.69636%0.36SS*.SBendtrans-108.1-14.4-174.1-58.8-175.9-178.7-177.30113.9S45 L60S45-K47 PolarHBondContact O-N 3.12Å; S45-K47 PolarHBondContact OG-N 3.48Å; K47-L60 PolarHBondContact O-N 2.78Å
48D89.1Confident89.7Confident20 Ų2072.8 Ų72.811%0.10735%0.35CS..EExtended strand (participates in β ladder)trans-153.8160.4178.246.832.1000115S45 I57 T58 K59S45-D48 WeakPolarHBondContact CB-OD1 3.46Å; S45-D48 PolarHBondContact OG-N 2.91Å; S45-D48 PolarHBondContact OG-OD1 2.83Å; D48-I57 HydrophobicContact CB-CG2 3.61Å; D48-T58 VanDerWaalsContact CA-O 3.24Å; D48-T58 WeakPolarHBondContact CA-O 3.43Å; D48-T58 WeakPolarHBondContact CB-O 3.49Å; D48-K59 HydrophobicContact CB-CD 4.21Å; D48-K59 IonicContact OD2-NZ 2.77Å; D48-K59 PolarHBondContact OD2-NZ 3.41Å
49V91.6Very high89.6Confident1 Ų178.3 Ų78.31%0.00637%0.373CS..EExtended strand (participates in β ladder)trans-121.1144.6166.51230000108L28 L39 R43 T58 V66L28-V49 HydrophobicContact CD2-CG1 3.55Å; L39-V49 HydrophobicContact CD2-CG1 3.99Å; R43-V49 HydrophobicContact CB-CG2 3.94Å; R43-V49 HydrophobicContact CG-CG2 4.15Å; V49-T58 PolarHBondContact N-O 3.06Å; V49-T58 PolarHBondContact O-N 3.14Å; V49-V66 HydrophobicContact CG2-CG2 4.19Å
50R92.6Very high89.3Confident125 Ų12578.9 Ų78.947%0.47238%0.375SS..EExtended strand (participates in β ladder)trans-102.6138.3173.4-66.1-169.2-179.798.8-4.4110.2T44 I57T44-R50 PolarHBondContact OG1-NH1 3.38Å; T44-R50 VanDerWaalsContact OG1-NH1 3.14Å; R50-I57 HydrophobicContact CG-CG1 4.45Å
51C93.4Very high88.9Confident2 Ų277.4 Ų77.41%0.01437%0.374CS..  trans-63.2127.8171.1179.30000110.6L28 C30 W53 C54 R55 G56L28-C51 HydrophobicContact CD1-CB 3.73Å; C30-C51 WeakPolarHBondContact SG-CB 3.47Å; C51-W53 VanDerWaalsContact C-N 3.3Å; C51-W53 PolarHBondContact O-N 3.38Å; C51-W53 PolarHBondContact SG-N 2.81Å; C51-C54 PolarHBondContact SG-N 3.07Å; C51-C54 VanDerWaalsContact SG-N 3.39Å; C51-C54 PolarHBondContact SG-SG 2.95Å; C51-R55 WeakPolarHBondContact O-CA 3.09Å; C51-R55 PolarHBondContact O-N 3.39Å; C51-G56 WeakPolarHBondContact CB-O 3.43Å; C51-G56 PolarHBondContact N-O 3.15Å
52P91.6Very high88.5Confident55 Ų5576.9 Ų76.936%0.35738%0.383SS..THydrogen-bonded Turntrans-71.6-24.2179.725.5-29.7000112.9I14 M42I14-P52 HydrophobicContact CD1-CB 3.92Å; I14-P52 HydrophobicContact CD1-CG 3.38Å; M42-P52 HydrophobicContact CE-CB 4.34Å; M42-P52 HydrophobicContact CE-CG 4.05Å; M42-P52 HydrophobicContact SD-CB 4.12Å; M42-P52 HydrophobicContact SD-CG 4.48Å
53W93.4Very high88Confident107 Ų10777.5 Ų77.541%0.40541%0.407SS..THydrogen-bonded Turntrans-85.6-54.3178.7-55.7-82.8000112.8Q13 I14 H32 T33 C34 C51Q13-W53 HydrophobicContact CB-CZ2 4.4Å; I14-W53 HydrophobicContact CD1-CH2 3.93Å; I14-W53 HydrophobicContact CD1-CZ2 3.87Å; I14-W53 HydrophobicContact CG1-CH2 4.31Å; I14-W53 HydrophobicContact CG1-CZ2 3.82Å; H32-W53 HydrophobicContact CB-CD2 4.48Å; H32-W53 HydrophobicContact CB-CE3 3.51Å; H32-W53 HydrophobicContact CB-CZ3 3.81Å; H32-W53 AromaticContact CD2-CD2 3.96Å; H32-W53 AromaticContact CD2-CE3 3.8Å; H32-W53 AromaticContact CD2-CG 3.92Å; H32-W53 AromaticContact CG-CE3 3.9Å; T33-W53 WeakPolarHBondContact O-CH2 3.32Å; C34-W53 HydrophobicContact CB-CH2 3.62Å; C34-W53 HydrophobicContact CB-CZ3 3.8Å; C51-W53 VanDerWaalsContact C-N 3.3Å; C51-W53 PolarHBondContact O-N 3.38Å; C51-W53 PolarHBondContact SG-N 2.81Å
54C93Very high87.7Confident63 Ų6379.6 Ų79.643%0.42642%0.418SS..THydrogen-bonded Turntrans-110.92.8-172.872.80000115.1C30 C51 G56C30-C54 VanDerWaalsContact CB-SG 3.56Å; C51-C54 PolarHBondContact SG-N 3.07Å; C51-C54 VanDerWaalsContact SG-N 3.39Å; C51-C54 PolarHBondContact SG-SG 2.95Å; C54-G56 PolarHBondContact O-N 3.13Å
55R91.8Very high87.8Confident210 Ų21076.7 Ų76.779%0.79240%0.402SS*.  trans59.41.8-176.9-54.4-176.8-179.5-155.9-0.7116.3C51C51-R55 WeakPolarHBondContact O-CA 3.09Å; C51-R55 PolarHBondContact O-N 3.39Å
56G91.2Very high87.9Confident23 Ų2374.8 Ų74.824%0.23739%0.389CS..PPolyproline II helixtrans-50.3137.817200000111.8C51 C54C51-G56 WeakPolarHBondContact CB-O 3.43Å; C51-G56 PolarHBondContact N-O 3.15Å; C54-G56 PolarHBondContact O-N 3.13Å
57I91.6Very high87.8Confident81 Ų8170.4 Ų70.442%0.41538%0.377SS..EExtended strand (participates in β ladder)trans-96.5121-172.5-56.9176.1000108.7D48 R50 K59D48-I57 HydrophobicContact CB-CG2 3.61Å; R50-I57 HydrophobicContact CG-CG1 4.45Å; I57-K59 HydrophobicContact CG2-CD 4.2Å
58T90.8Very high87.6Confident1 Ų167.8 Ų67.81%0.00637%0.367CS..EExtended strand (participates in β ladder)trans-98.3121.3170.1-71.30000110.5L28 D29 D48 V49 L69L28-T58 HydrophobicContact CD2-CG2 4.39Å; D29-T58 WeakPolarHBondContact CB-OG1 3.44Å; D29-T58 PolarHBondContact N-OG1 3.4Å; D29-T58 WeakPolarHBondContact OD2-CA 3.39Å; D29-T58 WeakPolarHBondContact OD2-CB 3.43Å; D29-T58 WeakPolarHBondContact OD2-CG2 3.3Å; D29-T58 PolarHBondContact OD2-OG1 3.49Å; D48-T58 VanDerWaalsContact CA-O 3.24Å; D48-T58 WeakPolarHBondContact CA-O 3.43Å; D48-T58 WeakPolarHBondContact CB-O 3.49Å; V49-T58 PolarHBondContact N-O 3.06Å; V49-T58 PolarHBondContact O-N 3.14Å; T58-L69 HydrophobicContact CG2-CD2 3.73Å
59K90.1Very high87.4Confident130 Ų13067.7 Ų67.757%0.56537%0.367SS*.EExtended strand (participates in β ladder)trans-86.4126-176-66.3-67.9172.9-170.50110D48 I57D48-K59 HydrophobicContact CB-CD 4.21Å; D48-K59 IonicContact OD2-NZ 2.77Å; D48-K59 PolarHBondContact OD2-NZ 3.41Å; I57-K59 HydrophobicContact CG2-CD 4.2Å
60L85.9Confident87.2Confident11 Ų1171.5 Ų71.56%0.05839%0.391CS..PPolyproline II helixtrans-100.3126.1176.9-71162.1000108.3K47 F64 V66 L69K47-L60 PolarHBondContact O-N 2.78Å; L60-F64 HydrophobicContact CB-CB 4.49Å; L60-F64 HydrophobicContact CD2-CB 4.38Å; L60-V66 HydrophobicContact CD1-CG2 4.37Å; L60-L69 HydrophobicContact CD2-CD1 4.38Å; L60-L69 HydrophobicContact CD2-CD2 3.85Å; L60-L69 HydrophobicContact CD2-CG 3.96Å
61P83.9Confident86.9Confident64 Ų6467.3 Ų67.342%0.41638%0.378SS..PPolyproline II helixtrans-57.8156172.7-21.130.6000111.7G63 F64P61-G63 PolarHBondContact O-N 3.27Å; P61-F64 HydrophobicContact CB-CB 4.49Å; P61-F64 HydrophobicContact CB-CD2 3.63Å; P61-F64 HydrophobicContact CB-CE2 4.02Å; P61-F64 HydrophobicContact CB-CG 4.08Å; P61-F64 HydrophobicContact CG-CD1 4.36Å; P61-F64 HydrophobicContact CG-CD2 4.01Å; P61-F64 HydrophobicContact CG-CE2 4.27Å; P61-F64 HydrophobicContact CG-CG 4.06Å; P61-F64 WeakPolarHBondContact O-CB 3.06Å; P61-F64 PolarHBondContact O-N 3.05Å
62P79.9Confident86.4Confident131 Ų13168.1 Ų68.185%0.85138%0.382SS*.THydrogen-bonded Turntrans-57.2131.9177.224.4-33.4000110.7F64P62-F64 VanDerWaalsContact C-N 3.31Å; P62-F64 PolarHBondContact O-N 3.15Å
63G77.9Confident85.6Confident83 Ų8369.7 Ų69.786%0.85639%0.392SS*.THydrogen-bonded Turntrans83.8-9.4-174.400000115.5P61P61-G63 PolarHBondContact O-N 3.27Å
64F81.3Confident84.7Confident93 Ų9371.9 Ų71.941%0.40841%0.407SS..  trans-79137.4179.5-83.5-120.7000113.1R43 L60 P61 P62 Q68R43-F64 PolarHBondContact NH1-O 2.93Å; R43-F64 PolarHBondContact NH2-O 3.39Å; L60-F64 HydrophobicContact CB-CB 4.49Å; L60-F64 HydrophobicContact CD2-CB 4.38Å; P61-F64 HydrophobicContact CB-CB 4.49Å; P61-F64 HydrophobicContact CB-CD2 3.63Å; P61-F64 HydrophobicContact CB-CE2 4.02Å; P61-F64 HydrophobicContact CB-CG 4.08Å; P61-F64 HydrophobicContact CG-CD1 4.36Å; P61-F64 HydrophobicContact CG-CD2 4.01Å; P61-F64 HydrophobicContact CG-CE2 4.27Å; P61-F64 HydrophobicContact CG-CG 4.06Å; P61-F64 WeakPolarHBondContact O-CB 3.06Å; P61-F64 PolarHBondContact O-N 3.05Å; P62-F64 VanDerWaalsContact C-N 3.31Å; P62-F64 PolarHBondContact O-N 3.15Å; F64-Q68 HydrophobicContact CD1-CB 3.8Å; F64-Q68 HydrophobicContact CE1-CB 4.22Å
65S83.9Confident83.8Confident39 Ų3969.5 Ų69.527%0.27339%0.391SS..  trans-97.1157.5172.367.60000111S67 Q68S65-S67 PolarHBondContact O-N 3.26Å; S65-Q68 PolarHBondContact O-N 3.08Å; S65-Q68 PolarHBondContact OG-OE1 3.34Å
66V84.5Confident82.9Confident0 Ų061.1 Ų61.10%036%0.362CS..G310 helixtrans-57.9-29.2174.1168.70000111.8K26 S36 L39 Q40 V49 L60 Q68 L69K26-V66 WeakPolarHBondContact CE-O 3.41Å; S36-V66 WeakPolarHBondContact O-CG1 3.49Å; L39-V66 HydrophobicContact CB-CG1 3.41Å; L39-V66 VanDerWaalsContact CB-CG1 3.41Å; L39-V66 HydrophobicContact CB-CG2 4.43Å; L39-V66 HydrophobicContact CD1-CG1 4.1Å; L39-V66 HydrophobicContact CG-CG1 4.42Å; Q40-V66 HydrophobicContact CB-CB 4.27Å; Q40-V66 HydrophobicContact CB-CG1 4.4Å; Q40-V66 HydrophobicContact CB-CG2 4.42Å; V49-V66 HydrophobicContact CG2-CG2 4.19Å; L60-V66 HydrophobicContact CD1-CG2 4.37Å; V66-Q68 PolarHBondContact O-N 3.27Å; V66-L69 HydrophobicContact CG1-CD1 4.35Å; V66-L69 WeakPolarHBondContact O-CB 3.36Å; V66-L69 PolarHBondContact O-N 3.17Å
67S80.9Confident81.7Confident79 Ų7962.7 Ų62.755%0.55237%0.372SS*.G310 helixtrans-62.7-20.3176.1-53.90000114K26 S65K26-S67 VanDerWaalsContact CE-O 3.24Å; K26-S67 WeakPolarHBondContact CE-O 3.24Å; K26-S67 PolarHBondContact NZ-O 3.43Å; S65-S67 PolarHBondContact O-N 3.26Å
68Q82Confident80.3Confident106 Ų10660.9 Ų60.950%0.49537%0.365SS..G310 helixtrans-95.9-2.3179.8-69.7158.3-50.800113.8F64 S65 V66F64-Q68 HydrophobicContact CD1-CB 3.8Å; F64-Q68 HydrophobicContact CE1-CB 4.22Å; S65-Q68 PolarHBondContact O-N 3.08Å; S65-Q68 PolarHBondContact OG-OE1 3.34Å; V66-Q68 PolarHBondContact O-N 3.27Å
69L85.1Confident79.2Confident18 Ų1862.8 Ų62.89%0.09437%0.374CS..SBendtrans-60.3151.3167.8-74.8169.5000110.3K26 L28 L39 T58 L60 V66 D71K26-L69 HydrophobicContact CB-CB 4.32Å; K26-L69 HydrophobicContact CD-CB 4.04Å; K26-L69 WeakPolarHBondContact CD-O 3.09Å; K26-L69 WeakPolarHBondContact CE-O 3.15Å; K26-L69 HydrophobicContact CG-CB 4.35Å; K26-L69 PolarHBondContact NZ-O 2.92Å; L28-L69 HydrophobicContact CD2-CD1 4.37Å; L39-L69 HydrophobicContact CD1-CD1 4.14Å; T58-L69 HydrophobicContact CG2-CD2 3.73Å; L60-L69 HydrophobicContact CD2-CD1 4.38Å; L60-L69 HydrophobicContact CD2-CD2 3.85Å; L60-L69 HydrophobicContact CD2-CG 3.96Å; V66-L69 HydrophobicContact CG1-CD1 4.35Å; V66-L69 WeakPolarHBondContact O-CB 3.36Å; V66-L69 PolarHBondContact O-N 3.17Å; L69-D71 PolarHBondContact O-N 3.19Å
70P86.1Confident77.8Confident80 Ų8060.4 Ų60.452%0.51938%0.379SS..PPolyproline II helixtrans-55.913717324.8-33.8000110L27L27-P70 HydrophobicContact CB-CG 4.49Å; L27-P70 PolarHBondContact N-O 3.06Å
71D87.3Confident76.2Confident38 Ų3865.1 Ų65.120%0.20340%0.403CS..BIsolated β-bridgetrans-76.3150.5167.3-66.5-41.1000109.3R24 P25 K26 L69 P73 L76R24-D71 WeakPolarHBondContact CB-OD1 3.47Å; R24-D71 WeakPolarHBondContact CD-OD2 3.07Å; R24-D71 IonicContact CZ-OD2 3.93Å; R24-D71 IonicContact NE-OD1 2.95Å; R24-D71 IonicContact NE-OD2 3.86Å; R24-D71 PolarHBondContact NE-OD2 3.01Å; R24-D71 IonicContact NH2-OD2 2.68Å; P25-D71 CarbonylContact O-C 3.48Å; P25-D71 WeakPolarHBondContact O-CA 3.37Å; K26-D71 VanDerWaalsContact CD-OD1 3.22Å; K26-D71 WeakPolarHBondContact CD-OD1 3.37Å; K26-D71 VanDerWaalsContact CE-OD1 3.25Å; K26-D71 WeakPolarHBondContact CE-OD1 3.31Å; K26-D71 IonicContact NZ-OD1 3.9Å; K26-D71 PolarHBondContact NZ-OD1 2.93Å; K26-D71 IonicContact NZ-OD2 3.44Å; L69-D71 PolarHBondContact O-N 3.19Å; D71-P73 WeakPolarHBondContact O-CD 3.21Å; D71-L76 HydrophobicContact CB-CD1 3.29Å; D71-L76 HydrophobicContact CB-CD2 4.46Å; D71-L76 HydrophobicContact CB-CG 3.78Å
72D81.9Confident74.7Confident18 Ų1867.1 Ų67.110%0.09642%0.416CS..PPolyproline II helixtrans-69117.9171.1-174.9-37.6000109.7P25 T33 E74 V75 L76P25-D72 HydrophobicContact CB-CB 4.22Å; P25-D72 HydrophobicContact CG-CB 4.45Å; P25-D72 PolarHBondContact O-N 2.97Å; T33-D72 WeakPolarHBondContact CB-OD2 3.38Å; T33-D72 HydrophobicContact CG2-CB 3.61Å; T33-D72 WeakPolarHBondContact CG2-OD2 3.2Å; T33-D72 PolarHBondContact OG1-OD2 2.77Å; D72-E74 PolarHBondContact OD1-N 3.08Å; D72-V75 HydrophobicContact CB-CB 4.16Å; D72-V75 HydrophobicContact CB-CG2 4.22Å; D72-V75 PolarHBondContact OD1-N 3.44Å; D72-L76 WeakPolarHBondContact O-CB 3.18Å; D72-L76 WeakPolarHBondContact O-CG 3.4Å; D72-L76 PolarHBondContact O-N 3.35Å
73P76.1Confident73.2Confident88 Ų8865 Ų6557%0.57140%0.395SS*.Hα-helixtrans-72.5-29-175.530.6-35.3000113.1D71 A77D71-P73 WeakPolarHBondContact O-CD 3.21Å; P73-A77 VanDerWaalsContact O-CB 3.3Å; P73-A77 WeakPolarHBondContact O-CB 3.43Å; P73-A77 PolarHBondContact O-N 2.06Å
74E72.7Confident71.6Confident153 Ų15366 Ų6672%0.71538%0.384SS*.Hα-helixtrans-71.4-49.8179.9-60.3-170.915600109.1D72 L76 A77 V78D72-E74 PolarHBondContact OD1-N 3.08Å; E74-L76 PolarHBondContact O-N 3.4Å; E74-A77 PolarHBondContact O-N 3.08Å; E74-V78 WeakPolarHBondContact O-CG2 3.44Å; E74-V78 PolarHBondContact O-N 3.13Å
75V74.1Confident70Confident14 Ų1465.2 Ų65.29%0.08539%0.39CS..Hα-helixtrans-66.2-38.9176.7-173.80000110.9L9 Y19 P25 T33 D72 V78 I79L9-V75 HydrophobicContact CD2-CG1 4.36Å; L9-V75 HydrophobicContact CD2-CG2 4.22Å; Y19-V75 HydrophobicContact CD2-CG1 3.54Å; Y19-V75 HydrophobicContact CE2-CG1 3.64Å; Y19-V75 HydrophobicContact CG-CG1 4.42Å; P25-V75 HydrophobicContact CB-CB 4.1Å; P25-V75 HydrophobicContact CB-CG1 3.84Å; P25-V75 HydrophobicContact CG-CB 4Å; P25-V75 HydrophobicContact CG-CG1 3.81Å; T33-V75 HydrophobicContact CG2-CG2 4.45Å; D72-V75 HydrophobicContact CB-CB 4.16Å; D72-V75 HydrophobicContact CB-CG2 4.22Å; D72-V75 PolarHBondContact OD1-N 3.44Å; V75-V78 PolarHBondContact O-N 3.4Å; V75-I79 HydrophobicContact CG1-CD1 3.86Å; V75-I79 VanDerWaalsContact O-CD1 3.27Å; V75-I79 WeakPolarHBondContact O-CD1 3.44Å; V75-I79 VanDerWaalsContact O-CG1 3.23Å; V75-I79 WeakPolarHBondContact O-CG1 3.26Å; V75-I79 PolarHBondContact O-N 2.77Å
76L74.3Confident68.3Low34 Ų3471 Ų7118%0.17841%0.413CS..Hα-helixtrans-63.9-39.1174-85.9-167.2000113.7P25 D71 D72 E74 V78 I79 A80P25-L76 HydrophobicContact CG-CD2 4.04Å; P25-L76 HydrophobicContact CG-CG 4.19Å; D71-L76 HydrophobicContact CB-CD1 3.29Å; D71-L76 HydrophobicContact CB-CD2 4.46Å; D71-L76 HydrophobicContact CB-CG 3.78Å; D72-L76 WeakPolarHBondContact O-CB 3.18Å; D72-L76 WeakPolarHBondContact O-CG 3.4Å; D72-L76 PolarHBondContact O-N 3.35Å; E74-L76 PolarHBondContact O-N 3.4Å; L76-V78 VanDerWaalsContact C-N 3.26Å; L76-V78 PolarHBondContact O-N 3.03Å; L76-I79 HydrophobicContact CD2-CD1 4.28Å; L76-I79 PolarHBondContact O-N 3.34Å; L76-A80 WeakPolarHBondContact O-CB 3.32Å; L76-A80 PolarHBondContact O-N 2.85Å
77A65.8Low66.6Low56 Ų5678.9 Ų78.946%0.46345%0.45SS..Hα-helixtrans-61.1-40.9178.800000110.9P73 E74 A80 I81P73-A77 VanDerWaalsContact O-CB 3.3Å; P73-A77 WeakPolarHBondContact O-CB 3.43Å; P73-A77 PolarHBondContact O-N 2.06Å; E74-A77 PolarHBondContact O-N 3.08Å; A77-A80 PolarHBondContact O-N 3.11Å; A77-I81 WeakPolarHBondContact O-CG1 3.22Å; A77-I81 PolarHBondContact O-N 3.05Å; A77-I81 VanDerWaalsContact O-N 3.15Å
78V62.7Low64.8Low42 Ų4279.4 Ų79.426%0.25545%0.449SS..Hα-helixtrans-65.2-44.3176-176.90000110.7L9 L10 E74 V75 L76 A80 I81 H83L9-V78 HydrophobicContact CD2-CB 4.18Å; L9-V78 HydrophobicContact CD2-CG1 4.16Å; L9-V78 HydrophobicContact CD2-CG2 4.07Å; L10-V78 HydrophobicContact CD1-CG1 4.48Å; L10-V78 HydrophobicContact CD2-CB 4.35Å; L10-V78 HydrophobicContact CD2-CG1 3.69Å; L10-V78 HydrophobicContact CG-CG1 4.1Å; E74-V78 WeakPolarHBondContact O-CG2 3.44Å; E74-V78 PolarHBondContact O-N 3.13Å; V75-V78 PolarHBondContact O-N 3.4Å; L76-V78 VanDerWaalsContact C-N 3.26Å; L76-V78 PolarHBondContact O-N 3.03Å; V78-A80 PolarHBondContact O-N 3.47Å; V78-I81 VanDerWaalsContact O-O 3.08Å; V78-H83 WeakPolarHBondContact CG1-NE2 3.49Å; V78-H83 PolarHBondContact O-CD2 2.81Å; V78-H83 PolarHBondContact O-NE2 2.78Å; V78-H83 VanDerWaalsContact O-NE2 3.14Å
79I66.3Low63.3Low41 Ų4177.8 Ų77.821%0.2145%0.448CS..Hα-helixtrans-70.4-30.2176.2-56151.6000113.4L10 Y19 P25 V75 L76 I81L10-I79 HydrophobicContact CD2-CG1 3.61Å; Y19-I79 HydrophobicContact CD2-CD1 4.11Å; Y19-I79 HydrophobicContact CG-CD1 3.97Å; P25-I79 HydrophobicContact CG-CD1 3.91Å; V75-I79 HydrophobicContact CG1-CD1 3.86Å; V75-I79 VanDerWaalsContact O-CD1 3.27Å; V75-I79 WeakPolarHBondContact O-CD1 3.44Å; V75-I79 VanDerWaalsContact O-CG1 3.23Å; V75-I79 WeakPolarHBondContact O-CG1 3.26Å; V75-I79 PolarHBondContact O-N 2.77Å; L76-I79 HydrophobicContact CD2-CD1 4.28Å; L76-I79 PolarHBondContact O-N 3.34Å; I79-I81 CarbonylContact C-O 3.38Å; I79-I81 VanDerWaalsContact O-O 3.12Å
80A60.9Low61.9Low80 Ų8080.4 Ų80.466%0.66147%0.465SS*.Hα-helixtrans-80.3-26-174.700000112.8L76 A77 V78 P82L76-A80 WeakPolarHBondContact O-CB 3.32Å; L76-A80 PolarHBondContact O-N 2.85Å; A77-A80 PolarHBondContact O-N 3.11Å; V78-A80 PolarHBondContact O-N 3.47Å; A80-P82 WeakPolarHBondContact O-CD 3.49Å
81I53.5Low60.3Low111 Ų11183.1 Ų83.157%0.56947%0.469SS*.SBendtrans-65120.4153.5-61.6165.7000105.3A77 V78 I79 H83A77-I81 WeakPolarHBondContact O-CG1 3.22Å; A77-I81 PolarHBondContact O-N 3.05Å; A77-I81 VanDerWaalsContact O-N 3.15Å; V78-I81 VanDerWaalsContact O-O 3.08Å; I79-I81 CarbonylContact C-O 3.38Å; I79-I81 VanDerWaalsContact O-O 3.12Å; I81-H83 PolarHBondContact O-N 2.95Å
82P50.9Low58.9Low106 Ų10685 Ų8569%0.68848%0.478SS*.  trans-63.799.3166.227.3-30.9000106.2A80 T84A80-P82 WeakPolarHBondContact O-CD 3.49Å; P82-T84 PolarHBondContact O-N 3.14Å
83H49.8Very low57.2Low86 Ų8692.5 Ų92.540%0.39851%0.51SS..  trans-53.5102.1155.5-77-89000105.1V78 I81 S85V78-H83 WeakPolarHBondContact CG1-NE2 3.49Å; V78-H83 PolarHBondContact O-CD2 2.81Å; V78-H83 PolarHBondContact O-NE2 2.78Å; V78-H83 VanDerWaalsContact O-NE2 3.14Å; I81-H83 PolarHBondContact O-N 2.95Å; H83-S85 PolarHBondContact O-N 2.96Å
84T44.1Very low56Low104 Ų10492.2 Ų92.264%0.63850%0.503SS*.  trans-63.589.7164.551.30000105P82 E86P82-T84 PolarHBondContact O-N 3.14Å; T84-E86 PolarHBondContact O-N 2.75Å
85S46.8Very low55Low76 Ų7691.5 Ų91.553%0.53151%0.512SS..  trans-46.5133.3147.4560000105.5H83 H87 T88H83-S85 PolarHBondContact O-N 2.96Å; S85-H87 PolarHBondContact O-N 3.47Å; S85-T88 PolarHBondContact O-N 2.91Å
86E47.6Very low54Low161 Ų16195.2 Ų95.275%0.75254%0.538SS*.THydrogen-bonded Turntrans-69.118.3-163.6-56.6-176.5133.500113.2T84T84-E86 PolarHBondContact O-N 2.75Å
87H49.1Very low52.7Low166 Ų166101.9 Ų101.977%0.76957%0.574SS**THydrogen-bonded Turntrans-139.821.9-167.4-54.2-37.2000113.2S85 P89S85-H87 PolarHBondContact O-N 3.47Å; H87-P89 WeakPolarHBondContact O-CD 3.26Å
88T44.6Very low52.1Low89 Ų89100.9 Ų100.955%0.54657%0.569SS.*  trans-88.4101.3163.549.80000110.1S85S85-T88 PolarHBondContact O-N 2.91Å
89P50.3Low51.5Low72 Ų72102.9 Ų102.947%0.46858%0.584SS.*  trans-80.8128.6-174.136.3-37.5000110.3H87 F91 M101H87-P89 WeakPolarHBondContact O-CD 3.26Å; P89-F91 HydrophobicContact CG-CE2 4.13Å; P89-F91 WeakPolarHBondContact O-CD2 3.15Å; P89-F91 PolarHBondContact O-N 3.01Å; P89-M101 HydrophobicContact CB-CE 3.63Å; P89-M101 HydrophobicContact CB-SD 3.58Å; P89-M101 VanDerWaalsContact CB-SD 3.58Å; P89-M101 HydrophobicContact CG-CE 4.12Å; P89-M101 HydrophobicContact CG-SD 3.78Å
90V55.8Low50.7Low73 Ų73105.1 Ų105.144%0.44259%0.591SS.*EExtended strand (participates in β ladder)trans-79.7116.1-177.6-177.20000109.5I92 M101 L104V90-I92 HydrophobicContact CG1-CG1 4.25Å; V90-I92 PolarHBondContact O-N 3.31Å; V90-M101 WeakPolarHBondContact O-CE 3.41Å; V90-L104 HydrophobicContact CB-CD1 4.42Å; V90-L104 HydrophobicContact CG2-CD1 3.84Å
91F52.5Low49.9Very low137 Ų137105.2 Ų105.260%0.60158%0.578SS**EExtended strand (participates in β ladder)trans-85.1104.7175.4-70.6-90.1000110.6P89 C99 M101P89-F91 HydrophobicContact CG-CE2 4.13Å; P89-F91 WeakPolarHBondContact O-CD2 3.15Å; P89-F91 PolarHBondContact O-N 3.01Å; F91-C99 HydrophobicContact CD1-CB 4.4Å; F91-M101 HydrophobicContact CB-CE 4.24Å; F91-M101 HydrophobicContact CD1-CE 3.35Å; F91-M101 HydrophobicContact CD1-SD 3.99Å; F91-M101 HydrophobicContact CD2-CE 3.65Å; F91-M101 HydrophobicContact CD2-SD 4.49Å; F91-M101 HydrophobicContact CE1-CE 3.44Å; F91-M101 VanDerWaalsContact CE1-CE 3.44Å; F91-M101 HydrophobicContact CE1-CG 4.37Å; F91-M101 HydrophobicContact CE1-SD 3.39Å; F91-M101 WeakPolarHBondContact CE1-SD 3.4Å; F91-M101 HydrophobicContact CE2-CE 3.73Å; F91-M101 HydrophobicContact CE2-SD 3.96Å; F91-M101 HydrophobicContact CG-CE 3.47Å; F91-M101 VanDerWaalsContact CG-CE 3.47Å; F91-M101 HydrophobicContact CG-SD 4.5Å; F91-M101 HydrophobicContact CZ-CE 3.63Å; F91-M101 HydrophobicContact CZ-SD 3.38Å; F91-M101 WeakPolarHBondContact CZ-SD 3.39Å
92I57.5Low49.6Very low79 Ų79104 Ų10441%0.40557%0.572SS.*EExtended strand (participates in β ladder)trans-93.4120.1169.8-64.1166.3000108.3V90 L94 Y100V90-I92 HydrophobicContact CG1-CG1 4.25Å; V90-I92 PolarHBondContact O-N 3.31Å; I92-L94 HydrophobicContact CG2-CD1 4.49Å; I92-Y100 HydrophobicContact CB-CD1 4.5Å; I92-Y100 HydrophobicContact CB-CE1 3.61Å; I92-Y100 WeakPolarHBondContact CD1-OH 3.25Å; I92-Y100 HydrophobicContact CG2-CE1 3.86Å
93K46.7Very low49.2Very low175 Ų175104.3 Ų104.376%0.76157%0.574SS**EExtended strand (participates in β ladder)trans-85.7114.6-179.4-146.1-174.5-171.175.70108.8
94L50.5Low48.7Very low82 Ų82106.2 Ų106.243%0.42959%0.587SS.*  trans-82.3157.1174.6-91.383.5000111.8I92 S96 G98 Y100I92-L94 HydrophobicContact CG2-CD1 4.49Å; L94-S96 PolarHBondContact O-N 2.66Å; L94-G98 PolarHBondContact N-O 3.3Å; L94-Y100 HydrophobicContact CD1-CD1 3.34Å; L94-Y100 HydrophobicContact CD1-CE1 3.28Å
95P51.9Low48.6Very low138 Ų138106.7 Ų106.790%0.89659%0.592SS**SBendtrans-58.2-18.3177.5-2635.4000115.4
96S51.6Low48.3Very low92 Ų92109.6 Ų109.664%0.64360%0.6SS**SBendtrans-110.157.9-176.4620000112.7L94 G98L94-S96 PolarHBondContact O-N 2.66Å; S96-G98 PolarHBondContact O-N 3.47Å
97N47.1Very low47.8Very low174 Ų174107 Ų10793%0.9360%0.6SS**SBendtrans51.116.6167.1-65.9-40.8000117.9
98G54.3Low47.2Very low35 Ų35108.2 Ų108.236%0.36160%0.603SS.*  trans-108.5131.2178.700000111.9L94 S96L94-G98 PolarHBondContact N-O 3.3Å; S96-G98 PolarHBondContact O-N 3.47Å
99C49.3Very low47.1Very low84 Ų84112.1 Ų112.157%0.56862%0.615SS**EExtended strand (participates in β ladder)trans-98.3121.5162.9-660000107.7F91F91-C99 HydrophobicContact CD1-CB 4.4Å
100Y50.3Low46.4Very low88 Ų88119.4 Ų119.435%0.34563%0.633SS.*EExtended strand (participates in β ladder)trans-110153.9169.581.9-76.2000109.8I92 L94 L102I92-Y100 HydrophobicContact CB-CD1 4.5Å; I92-Y100 HydrophobicContact CB-CE1 3.61Å; I92-Y100 WeakPolarHBondContact CD1-OH 3.25Å; I92-Y100 HydrophobicContact CG2-CE1 3.86Å; L94-Y100 HydrophobicContact CD1-CD1 3.34Å; L94-Y100 HydrophobicContact CD1-CE1 3.28Å; Y100-L102 HydrophobicContact CD2-CB 4.27Å; Y100-L102 HydrophobicContact CD2-CD1 4.2Å; Y100-L102 HydrophobicContact CE2-CB 3.59Å; Y100-L102 HydrophobicContact CE2-CD1 3.58Å; Y100-L102 HydrophobicContact CE2-CD2 4.32Å; Y100-L102 HydrophobicContact CE2-CG 3.98Å
101M44.8Very low45.2Very low81 Ų81121.7 Ų121.740%0.39965%0.647SS.*EExtended strand (participates in β ladder)trans-104.5115.7172.5-61.1-91.360.400107.7P89 V90 F91P89-M101 HydrophobicContact CB-CE 3.63Å; P89-M101 HydrophobicContact CB-SD 3.58Å; P89-M101 VanDerWaalsContact CB-SD 3.58Å; P89-M101 HydrophobicContact CG-CE 4.12Å; P89-M101 HydrophobicContact CG-SD 3.78Å; V90-M101 WeakPolarHBondContact O-CE 3.41Å; F91-M101 HydrophobicContact CB-CE 4.24Å; F91-M101 HydrophobicContact CD1-CE 3.35Å; F91-M101 HydrophobicContact CD1-SD 3.99Å; F91-M101 HydrophobicContact CD2-CE 3.65Å; F91-M101 HydrophobicContact CD2-SD 4.49Å; F91-M101 HydrophobicContact CE1-CE 3.44Å; F91-M101 VanDerWaalsContact CE1-CE 3.44Å; F91-M101 HydrophobicContact CE1-CG 4.37Å; F91-M101 HydrophobicContact CE1-SD 3.39Å; F91-M101 WeakPolarHBondContact CE1-SD 3.4Å; F91-M101 HydrophobicContact CE2-CE 3.73Å; F91-M101 HydrophobicContact CE2-SD 3.96Å; F91-M101 HydrophobicContact CG-CE 3.47Å; F91-M101 VanDerWaalsContact CG-CE 3.47Å; F91-M101 HydrophobicContact CG-SD 4.5Å; F91-M101 HydrophobicContact CZ-CE 3.63Å; F91-M101 HydrophobicContact CZ-SD 3.38Å; F91-M101 WeakPolarHBondContact CZ-SD 3.39Å
102L46.4Very low44.4Very low86 Ų86122.6 Ų122.645%0.4566%0.658SS.*EExtended strand (participates in β ladder)trans-92.2120.3165.9-145.464.2000108.3Y100 L104Y100-L102 HydrophobicContact CD2-CB 4.27Å; Y100-L102 HydrophobicContact CD2-CD1 4.2Å; Y100-L102 HydrophobicContact CE2-CB 3.59Å; Y100-L102 HydrophobicContact CE2-CD1 3.58Å; Y100-L102 HydrophobicContact CE2-CD2 4.32Å; Y100-L102 HydrophobicContact CE2-CG 3.98Å; L102-L104 PolarHBondContact O-N 2.91Å
103P43Very low43.2Very low112 Ų112126.7 Ų126.773%0.72768%0.679SS**  trans-64.1113.3153.4-7.924.6000106.3P105P103-P105 VanDerWaalsContact O-CD 3.25Å; P103-P105 WeakPolarHBondContact O-CD 3.45Å
104L38.8Very low42.7Very low127 Ų127124.2 Ų124.267%0.66568%0.681SS**  trans-65.5117.1169.1-90133.7000107.8V90 L102 I106V90-L104 HydrophobicContact CB-CD1 4.42Å; V90-L104 HydrophobicContact CG2-CD1 3.84Å; L102-L104 PolarHBondContact O-N 2.91Å; L104-I106 PolarHBondContact O-N 3.45Å
105P41.3Very low41.8Very low113 Ų113123.9 Ų123.973%0.73470%0.697SS**  trans-67.6128.117228.6-32.3000108.5P103 S107P103-P105 VanDerWaalsContact O-CD 3.25Å; P103-P105 WeakPolarHBondContact O-CD 3.45Å; P105-S107 PolarHBondContact O-N 2.9Å
106I40.9Very low40.8Very low138 Ų138123.8 Ų123.871%0.70869%0.689SS**  trans-63.6108172.4-68.6166.9000107.6L104 K108L104-I106 PolarHBondContact O-N 3.45Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 3.31Å
107S37.2Very low39.9Very low107 Ų107127.3 Ų127.375%0.74870%0.698SS**  trans-69.191.4170.9-172.90000109.3P105 E109P105-S107 PolarHBondContact O-N 2.9Å; S107-E109 PolarHBondContact O-N 3.27Å
108K36Very low39Very low191 Ų191122.5 Ų122.583%0.8369%0.69SS**  trans-85100.8158.7-100.9178.5177167.60107.9I106 R110I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 3.31Å; K108-R110 PolarHBondContact O-N 3.3Å
109E42.4Very low37.8Very low171 Ų171127.2 Ų127.280%0.79972%0.716SS**  trans-51.8106.8170.9-175.679.3152.900110.8S107S107-E109 PolarHBondContact O-N 3.27Å
110R35.4Very low37Very low224 Ų224135 Ų13585%0.84573%0.733SS**  trans-163.3109.4154.9-120.3-179.9179.3107.9-1.2112.7K108K108-R110 PolarHBondContact O-N 3.3Å
111T30.9Very low36.2Very low121 Ų121138 Ų13874%0.74275%0.754SS**  trans55.4101.7149.234.40000119.2
112L36.8Very low35.7Very low157 Ų157141.5 Ų141.582%0.82277%0.773SS**  29.6116.5126.6-82.6161.9000118.7
113L31.7Very low35.3Very low165 Ų165143 Ų14386%0.86479%0.788SS**  -169.5158.5107.6-88.2-159000111.4
114P37.4Very low34.5Very low122 Ų122141.2 Ų141.279%0.79279%0.791SS**  trans-104.1153-175.538.6-32.3000114.3
115G30.5Very low34.2Very low75 Ų75140.6 Ų140.677%0.77380%0.797SS**  trans153133.9160.300000117.3
116D30.5Very low34Very low136 Ų136142.8 Ų142.873%0.72780%0.797SS**  trans61.2100.2153.4-99.1-106000123.7
117M34.3Very low33.4Very low166 Ų166145.2 Ų145.282%0.81881%0.806SS**  31.9130.4126.7-68101.576.500122.4
118G28.1Very low33.1Very low74 Ų74149.4 Ų149.476%0.76381%0.81SS**  132.350.612500000120.5R120G118-R120 PolarHBondContact O-N 2.82Å
119C28.1Very low33.1Very low134 Ų134145.4 Ų145.491%0.90580%0.804SS**  trans-74.1105.8165.9-62.50000111.4
120R32.8Very low32.4Very low248 Ų248144.9 Ų144.994%0.93681%0.806SS**  trans-73.9147.7162.7-74.9-157.1-178.5-82.20.1110.8G118G118-R120 PolarHBondContact O-N 2.82Å
121L32.6Very low32.2Very low151 Ų151139.7 Ų139.779%0.79180%0.799SS**  trans-108.5146.4-168.8-102.1171.6000111.4
122L33.8Very low32Very low153 Ų153141 Ų14180%0.80181%0.806SS**  trans73.6169.7160.6-56.9174.7000117.4
123P39.2Very low31.8Very low117 Ų117139.4 Ų139.476%0.7680%0.803SS**  -141.9158.3-57.340.2-25.2000115.6
124G26.9Very low31.6Very low76 Ų76137.6 Ų137.678%0.78480%0.799SS**  trans81.9159133.600000122.1
125S30.6Very low31.3Very low113 Ų113139 Ų13979%0.7980%0.799SS**  trans80.9118.3156.6-149.90000120.8
126Q37.6Very low31.6Very low159 Ų159141.1 Ų141.174%0.74380%0.798SS**  trans45.9122.3135.7-65.7-83.529.900120.4
127Q28.7Very low31.6Very low189 Ų189138.7 Ų138.788%0.88380%0.798SS**  177.2146.8107-93.3162.632.700113.6
128K31Very low31.2Very low195 Ų195139.2 Ų139.285%0.84880%0.798SS**  trans-113.6141.9157.1-175171.2-177.4-178.30103.5
129P36.7Very low31.1Very low107 Ų107143.1 Ų143.170%0.69580%0.796SS**  -161-170.863.942.2-18.9000119
130L26.4Very low31.2Very low161 Ų161144.3 Ų144.384%0.84379%0.788SS**  trans95.7155.1146-130.670.3000120.7
131T31.3Very low31.1Very low115 Ų115138.1 Ų138.171%0.70678%0.78SS**  trans-87.6164.6-162.550.10000115.1
132V28.2Very low30.9Very low147 Ų147138.4 Ų138.489%0.89178%0.782SS**  trans-154151.4132.3129.80000111.1
133V30.7Very low30.6Very low124 Ų124140.7 Ų140.775%0.75279%0.789SS**  trans-102.6156.6-177.4165.50000110.3
134T27.2Very low29.8Very low128 Ų128139 Ų13979%0.78579%0.792SS**  163.8144.7130-66.80000113
135I32.9Very low29.6Very low152 Ų152139.4 Ų139.478%0.77980%0.797SS**  trans-113.6146173.6-46.1164.6000108.6
136P36.5Very low29.4Very low118 Ų118138.6 Ų138.677%0.76680%0.796SS**  -136.4151116.218.72000111.4
137A30.4Very low29.3Very low86 Ų86136.3 Ų136.371%0.71180%0.795SS**  cis99.1149.935.800000114
138E24.7Very low29.1Very low176 Ų176135.2 Ų135.282%0.82279%0.79SS**  trans82.6148.9-171.3-54.1-137.673.200116.4
139Q27.1Very low28.9Very low157 Ų157134.2 Ų134.273%0.73479%0.789SS**  cis-146.6142.325-65.6170-45.100115.2
140Q30.6Very low28.4Very low158 Ų158133.3 Ų133.374%0.73879%0.79SS**  trans58.6168.2135.5-68.6-173.9-75.200123.8
141P31Very low28.5Very low118 Ų118132.4 Ų132.477%0.76679%0.791SS**  cis-138.3179.2-43.840.4-23.6000116.5
142L27.8Very low28.7Very low158 Ų158135.6 Ų135.683%0.82780%0.798SS**  trans-56.9146.4-174-142.774000120.8
143Q26.8Very low28.7Very low201 Ų201137.7 Ų137.794%0.93980%0.798SS**  trans-179.1157.7136.9-98.9150.7105.900110.2
144G22Very low29Very low81 Ų81139.8 Ų139.884%0.83580%0.799SS**  cis154.1101.5-1400000114.9
145G22.8Very low29.5Very low85 Ų85138.9 Ų138.988%0.87680%0.796SS**  trans147.9138.9170.200000116.7
146A26.3Very low30.1Very low95 Ų95137.8 Ų137.879%0.78579%0.792SS**  trans-139.1-178.7170.300000107.4
147P36.9Very low30.3Very low111 Ų111143.9 Ų143.972%0.72180%0.799SS**  cis-142.4-167.28.236.2-11.8000116.3
148Q24.6Very low31.2Very low167 Ų167151.6 Ų151.678%0.7881%0.81SS**  trans105.5106.1134.4-139.7159.30.800121.7
149E26.2Very low32.4Very low174 Ų174146.3 Ų146.381%0.81380%0.803SS**  trans51.1139.5130.5-54.8-80.499.500124.3
150A26.6Very low33.4Very low88 Ų88145.3 Ų145.373%0.72781%0.807SS**  trans89.3120.2137.400000123.3
151V27.1Very low34.3Very low141 Ų141143.1 Ų143.186%0.85581%0.805SS**  trans79.8143.8141.91790000120.2
152E36.4Very low35.2Very low182 Ų182147.7 Ų147.785%0.8581%0.812SS**  trans-56.3142-172.4-50.7171.2140.100116
153E28.5Very low36.6Very low192 Ų192143.3 Ų143.390%0.89780%0.795SS**  trans-162.3131.3134.7-112.5-173.5157.100110.8
154E37Very low38.2Very low167 Ų167138.8 Ų138.878%0.7879%0.786SS**  trans-91.9133.3160.1-115.9-76153.300106.8D156E154-D156 PolarHBondContact OE2-N 3.48Å
155P37.7Very low40.1Very low110 Ų110140.4 Ų140.471%0.71478%0.779SS**  -148.3131.1111.533.2-16.2000115.9R157P155-R157 PolarHBondContact O-N 3.23Å
156D44.3Very low41.9Very low128 Ų128146 Ų14668%0.68477%0.774SS**  trans12.8103.5151.1178.433.9000117.2E154E154-D156 PolarHBondContact OE2-N 3.48Å
157R41.3Very low44.2Very low246 Ų246145 Ų14593%0.92876%0.762SS**  trans-139.7100.4144.5-80.5-150.6165.8-172.6-2.6114.4P155 G159P155-R157 PolarHBondContact O-N 3.23Å; R157-G159 PolarHBondContact O-N 2.82Å
158R49.5Very low46.4Very low248 Ų248141.4 Ų141.494%0.93675%0.745SS**  trans-21.1111.3150.2-171.5-179.7-150.6-134.43.5115.6
159G49.4Very low49.5Very low65 Ų65137.6 Ų137.667%0.6773%0.732SS**  trans174.6143.816400000118.1R157R157-G159 PolarHBondContact O-N 2.82Å
160V49Very low52.5Low137 Ų137132 Ų13283%0.8371%0.712SS**  trans77.286152.4-164.20000119.8
161V49Very low55.6Low112 Ų112131.5 Ų131.568%0.67970%0.7SS**  52.2115.3122.7-177.70000120.4S163V161-S163 VanDerWaalsContact CG1-CB 3.41Å; V161-S163 VanDerWaalsContact CG1-OG 3.28Å; V161-S163 WeakPolarHBondContact CG1-OG 3.5Å
162K50Low58.8Low213 Ų213129.6 Ų129.693%0.92669%0.688SS**  trans-104.789.2152.4-74.7174.9176.2171.90109.9
163S56.4Low61.6Low66 Ų66125.6 Ų125.646%0.46267%0.672SS.*  trans-104-22.4-174.751.80000116V161 T165 W166 S167V161-S163 VanDerWaalsContact CG1-CB 3.41Å; V161-S163 VanDerWaalsContact CG1-OG 3.28Å; V161-S163 WeakPolarHBondContact CG1-OG 3.5Å; S163-T165 PolarHBondContact O-N 3.29Å; S163-W166 WeakPolarHBondContact O-CB 3.39Å; S163-W166 PolarHBondContact O-N 3.41Å; S163-S167 PolarHBondContact O-N 3.39Å
164S60.3Low64.8Low107 Ų107121.5 Ų121.575%0.74866%0.655SS**Hα-helixtrans-63.1-38-165.7-55.40000114.8
165T62.2Low67.7Low114 Ų114117.7 Ų117.770%0.69964%0.644SS**Hα-helixtrans-75.2-31.117845.20000112.9S163 S167 G168 V169S163-T165 PolarHBondContact O-N 3.29Å; T165-S167 VanDerWaalsContact C-N 3.35Å; T165-S167 PolarHBondContact O-N 2.9Å; T165-G168 PolarHBondContact O-N 2.9Å; T165-V169 WeakPolarHBondContact O-CG2 3.23Å; T165-V169 PolarHBondContact O-N 3.3Å; T165-V169 VanDerWaalsContact O-N 3.1Å
166W60.9Low70.5Confident203 Ų203114.9 Ų114.977%0.76963%0.629SS**Hα-helixtrans-64-40.4176.8-171.9-91.8000111.8S163 V169 C170S163-W166 WeakPolarHBondContact O-CB 3.39Å; S163-W166 PolarHBondContact O-N 3.41Å; W166-V169 PolarHBondContact O-N 2.96Å; W166-C170 VanDerWaalsContact O-CB 3.31Å; W166-C170 WeakPolarHBondContact O-CB 3.33Å; W166-C170 PolarHBondContact O-N 2.94Å
167S75.1Confident73Confident75 Ų75112.4 Ų112.452%0.52462%0.621SS.*Hα-helixtrans-62.3-45176.9-169.10000112.3S163 T165 C170 T171S163-S167 PolarHBondContact O-N 3.39Å; T165-S167 VanDerWaalsContact C-N 3.35Å; T165-S167 PolarHBondContact O-N 2.9Å; S167-C170 WeakPolarHBondContact O-CB 3.46Å; S167-C170 PolarHBondContact O-N 3.2Å; S167-T171 PolarHBondContact O-N 3.45Å; S167-T171 PolarHBondContact O-OG1 3.3Å
168G83.4Confident75.7Confident35 Ų35104.7 Ų104.736%0.36160%0.601SS.*Hα-helixtrans-65.6-40.6178.200000113.6T165 C170 T171 V172T165-G168 PolarHBondContact O-N 2.9Å; G168-C170 VanDerWaalsContact C-N 3.34Å; G168-T171 PolarHBondContact O-N 3.33Å; G168-T171 PolarHBondContact O-OG1 3.28Å; G168-T171 VanDerWaalsContact O-OG1 3.05Å; G168-V172 WeakPolarHBondContact O-CG2 3.35Å; G168-V172 PolarHBondContact O-N 3.22Å; G168-V172 VanDerWaalsContact O-N 3.11Å
169V89.4Confident78Confident87 Ų8797.6 Ų97.653%0.52758%0.581SS.*Hα-helixtrans-65.4-40.2174.5173.80000110.7T165 W166 V172 I173T165-V169 WeakPolarHBondContact O-CG2 3.23Å; T165-V169 PolarHBondContact O-N 3.3Å; T165-V169 VanDerWaalsContact O-N 3.1Å; W166-V169 PolarHBondContact O-N 2.96Å; V169-V172 PolarHBondContact O-N 3.49Å; V169-I173 HydrophobicContact CG1-CD1 3.72Å; V169-I173 HydrophobicContact CG1-CG1 4.43Å; V169-I173 VanDerWaalsContact O-CG1 3.27Å; V169-I173 WeakPolarHBondContact O-CG1 3.13Å; V169-I173 PolarHBondContact O-N 2.89Å
170C89Confident80.3Confident57 Ų5799.3 Ų99.339%0.38558%0.579SS.*Hα-helixtrans-61.8-46.7176.7-172.60000112.2W166 S167 G168 I173 L174W166-C170 VanDerWaalsContact O-CB 3.31Å; W166-C170 WeakPolarHBondContact O-CB 3.33Å; W166-C170 PolarHBondContact O-N 2.94Å; S167-C170 WeakPolarHBondContact O-CB 3.46Å; S167-C170 PolarHBondContact O-N 3.2Å; G168-C170 VanDerWaalsContact C-N 3.34Å; C170-I173 PolarHBondContact O-N 3.21Å; C170-L174 VanDerWaalsContact O-CG 3.3Å; C170-L174 WeakPolarHBondContact O-CG 3.36Å; C170-L174 PolarHBondContact O-N 3.35Å
171T91Very high82.6Confident76 Ų7699.6 Ų99.647%0.46657%0.569SS.*Hα-helixtrans-65.5-39.8178.554.70000112.6S167 G168 L174 V175S167-T171 PolarHBondContact O-N 3.45Å; S167-T171 PolarHBondContact O-OG1 3.3Å; G168-T171 PolarHBondContact O-N 3.33Å; G168-T171 PolarHBondContact O-OG1 3.28Å; G168-T171 VanDerWaalsContact O-OG1 3.05Å; T171-L174 PolarHBondContact O-N 3.32Å; T171-V175 WeakPolarHBondContact O-CB 3.38Å; T171-V175 VanDerWaalsContact O-CG2 3.31Å; T171-V175 WeakPolarHBondContact O-CG2 3.49Å; T171-V175 PolarHBondContact O-N 3.19Å
172V95.4Very high84.9Confident102 Ų10298.7 Ų98.762%0.61856%0.56SS**Hα-helixtrans-61.6-43.7174.81710000111.5G168 V169 A176G168-V172 WeakPolarHBondContact O-CG2 3.35Å; G168-V172 PolarHBondContact O-N 3.22Å; G168-V172 VanDerWaalsContact O-N 3.11Å; V169-V172 PolarHBondContact O-N 3.49Å; V172-A176 WeakPolarHBondContact O-CB 3.49Å; V172-A176 PolarHBondContact O-N 3.24Å
173I95.6Very high87.2Confident97 Ų9793.6 Ų93.650%0.49754%0.542SS..Hα-helixtrans-63.1-46.6176.1-69.4167.8000110.8V169 C170 V175 A176 C177V169-I173 HydrophobicContact CG1-CD1 3.72Å; V169-I173 HydrophobicContact CG1-CG1 4.43Å; V169-I173 VanDerWaalsContact O-CG1 3.27Å; V169-I173 WeakPolarHBondContact O-CG1 3.13Å; V169-I173 PolarHBondContact O-N 2.89Å; C170-I173 PolarHBondContact O-N 3.21Å; I173-V175 PolarHBondContact O-N 3.4Å; I173-A176 PolarHBondContact O-N 3Å; I173-C177 WeakPolarHBondContact O-CB 3.3Å; I173-C177 PolarHBondContact O-N 3.33Å; I173-C177 PolarHBondContact O-SG 3.38Å
174L95.6Very high89.1Confident106 Ų10692.3 Ų92.356%0.55554%0.539SS*.Hα-helixtrans-61.2-44.6179.1-71.6172.1000112.1C170 T171 C177 V178C170-L174 VanDerWaalsContact O-CG 3.3Å; C170-L174 WeakPolarHBondContact O-CG 3.36Å; C170-L174 PolarHBondContact O-N 3.35Å; T171-L174 PolarHBondContact O-N 3.32Å; L174-C177 PolarHBondContact O-N 3.09Å; L174-V178 WeakPolarHBondContact O-CG2 3.31Å; L174-V178 PolarHBondContact O-N 2.8Å
175V96.7Very high90.8Very high88 Ų8891.3 Ų91.353%0.53353%0.525SS..Hα-helixtrans-61.9-44.8175.7170.80000110.8T171 I173 C177 V178 L179T171-V175 WeakPolarHBondContact O-CB 3.38Å; T171-V175 VanDerWaalsContact O-CG2 3.31Å; T171-V175 WeakPolarHBondContact O-CG2 3.49Å; T171-V175 PolarHBondContact O-N 3.19Å; I173-V175 PolarHBondContact O-N 3.4Å; V175-C177 PolarHBondContact O-N 3.01Å; V175-V178 PolarHBondContact O-N 2.83Å; V175-L179 HydrophobicContact CG1-CD1 3.99Å; V175-L179 HydrophobicContact CG1-CG 4.4Å; V175-L179 WeakPolarHBondContact O-CG 3.49Å; V175-L179 PolarHBondContact O-N 2.83Å
176A97.2Very high92.4Very high50 Ų5089.9 Ų89.941%0.41352%0.515SS..Hα-helixtrans-60.5-43.9176.100000112.1V172 I173 L179 V180V172-A176 WeakPolarHBondContact O-CB 3.49Å; V172-A176 PolarHBondContact O-N 3.24Å; I173-A176 PolarHBondContact O-N 3Å; A176-L179 PolarHBondContact O-N 2.9Å; A176-V180 WeakPolarHBondContact O-CG2 3.28Å; A176-V180 PolarHBondContact O-N 3.33Å
177C97.6Very high93.8Very high76 Ų7685.5 Ų85.551%0.51451%0.507SS..Hα-helixtrans-61.4-43.4175.7-71.30000112.6I173 L174 V175 V180 F181I173-C177 WeakPolarHBondContact O-CB 3.3Å; I173-C177 PolarHBondContact O-N 3.33Å; I173-C177 PolarHBondContact O-SG 3.38Å; L174-C177 PolarHBondContact O-N 3.09Å; V175-C177 PolarHBondContact O-N 3.01Å; C177-V180 PolarHBondContact O-N 3.16Å; C177-F181 WeakPolarHBondContact O-CB 3.25Å; C177-F181 PolarHBondContact O-N 3.08Å
178V97.5Very high94.6Very high84 Ų8488 Ų8851%0.50951%0.51SS..Hα-helixtrans-63.2-45176.5170.70000110.9L174 V175 F181 L182L174-V178 WeakPolarHBondContact O-CG2 3.31Å; L174-V178 PolarHBondContact O-N 2.8Å; V175-V178 PolarHBondContact O-N 2.83Å; V178-F181 PolarHBondContact O-N 2.84Å; V178-L182 HydrophobicContact CG1-CD1 3.97Å; V178-L182 HydrophobicContact CG1-CG 4.35Å; V178-L182 WeakPolarHBondContact O-CG 3.37Å; V178-L182 PolarHBondContact O-N 3.44Å
179L97.6Very high94.9Very high99 Ų9990.3 Ų90.352%0.51851%0.514SS..Hα-helixtrans-62-44.6177.5-69.9173.5000112V175 A176 F181 L182 L183V175-L179 HydrophobicContact CG1-CD1 3.99Å; V175-L179 HydrophobicContact CG1-CG 4.4Å; V175-L179 WeakPolarHBondContact O-CG 3.49Å; V175-L179 PolarHBondContact O-N 2.83Å; A176-L179 PolarHBondContact O-N 2.9Å; L179-F181 VanDerWaalsContact C-N 3.33Å; L179-F181 PolarHBondContact O-N 2.73Å; L179-L182 PolarHBondContact O-N 2.84Å; L179-L183 WeakPolarHBondContact O-CB 3.38Å; L179-L183 VanDerWaalsContact O-CG 3.27Å; L179-L183 WeakPolarHBondContact O-CG 3.37Å; L179-L183 PolarHBondContact O-N 3.36Å
180V97.7Very high94.8Very high102 Ų10290.6 Ų90.662%0.61851%0.51SS*.Hα-helixtrans-62.6-39.6175.7170.80000111.5A176 C177 G184A176-V180 WeakPolarHBondContact O-CG2 3.28Å; A176-V180 PolarHBondContact O-N 3.33Å; C177-V180 PolarHBondContact O-N 3.16Å; V180-G184 PolarHBondContact O-N 3.47Å
181F98Very high94.7Very high143 Ų14390.6 Ų90.663%0.62751%0.511SS*.Hα-helixtrans-66.7-43.8177.1-174.3-108.9000112.4C177 V178 L179 G184 I185C177-F181 WeakPolarHBondContact O-CB 3.25Å; C177-F181 PolarHBondContact O-N 3.08Å; V178-F181 PolarHBondContact O-N 2.84Å; L179-F181 VanDerWaalsContact C-N 3.33Å; L179-F181 PolarHBondContact O-N 2.73Å; F181-G184 WeakPolarHBondContact O-CA 3.2Å; F181-G184 PolarHBondContact O-N 2.8Å; F181-I185 HydrophobicContact CD1-CD1 3.79Å; F181-I185 HydrophobicContact CE1-CD1 3.44Å; F181-I185 VanDerWaalsContact CE1-CD1 3.44Å; F181-I185 HydrophobicContact CE1-CG1 4.38Å; F181-I185 HydrophobicContact CZ-CD1 3.93Å; F181-I185 WeakPolarHBondContact O-CG1 3.3Å; F181-I185 PolarHBondContact O-N 2.89Å
182L97.3Very high94.1Very high93 Ų9389.4 Ų89.449%0.48751%0.506SS..Hα-helixtrans-63.3-43.9174.8-69.4174.9000111.8V178 L179 G184 I185 V186V178-L182 HydrophobicContact CG1-CD1 3.97Å; V178-L182 HydrophobicContact CG1-CG 4.35Å; V178-L182 WeakPolarHBondContact O-CG 3.37Å; V178-L182 PolarHBondContact O-N 3.44Å; L179-L182 PolarHBondContact O-N 2.84Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 2.94Å; L182-I185 PolarHBondContact O-N 3.46Å; L182-V186 WeakPolarHBondContact O-CG2 3.41Å; L182-V186 PolarHBondContact O-N 2.94Å
183L97.2Very high92.9Very high106 Ų10687.6 Ų87.656%0.55549%0.492SS*.Hα-helixtrans-60.3-40.7172.4-72.7171000111.2L179 V186 L187L179-L183 WeakPolarHBondContact O-CB 3.38Å; L179-L183 VanDerWaalsContact O-CG 3.27Å; L179-L183 WeakPolarHBondContact O-CG 3.37Å; L179-L183 PolarHBondContact O-N 3.36Å; L183-V186 PolarHBondContact O-N 2.96Å; L183-L187 VanDerWaalsContact O-CB 3.26Å; L183-L187 WeakPolarHBondContact O-CB 3.33Å; L183-L187 VanDerWaalsContact O-CG 3.23Å; L183-L187 WeakPolarHBondContact O-CG 3.38Å; L183-L187 PolarHBondContact O-N 3.26Å
184G96.4Very high91.7Very high39 Ų3986.2 Ų86.240%0.40249%0.49SS..Hα-helixtrans-58.9-44.8173.300000112.8V180 F181 L182 H188V180-G184 PolarHBondContact O-N 3.47Å; F181-G184 WeakPolarHBondContact O-CA 3.2Å; F181-G184 PolarHBondContact O-N 2.8Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 2.94Å; G184-H188 WeakPolarHBondContact O-CB 3.23Å; G184-H188 PolarHBondContact O-N 3.47Å
185I96.2Very high90.4Very high85 Ų8588 Ų8844%0.43649%0.494SS..Hα-helixtrans-63.5-46.2175.2-69.8166.9000111F181 L182 H188 N189F181-I185 HydrophobicContact CD1-CD1 3.79Å; F181-I185 HydrophobicContact CE1-CD1 3.44Å; F181-I185 VanDerWaalsContact CE1-CD1 3.44Å; F181-I185 HydrophobicContact CE1-CG1 4.38Å; F181-I185 HydrophobicContact CZ-CD1 3.93Å; F181-I185 WeakPolarHBondContact O-CG1 3.3Å; F181-I185 PolarHBondContact O-N 2.89Å; L182-I185 PolarHBondContact O-N 3.46Å; I185-H188 PolarHBondContact O-N 3.26Å; I185-N189 VanDerWaalsContact O-CB 3.23Å; I185-N189 WeakPolarHBondContact O-CB 3.14Å; I185-N189 PolarHBondContact O-N 3.05Å
186V95.2Very high88.9Confident84 Ų8489.8 Ų89.851%0.50949%0.491SS..Hα-helixtrans-64.9-45.5179.8172.20000110.9L182 L183 N189 M190L182-V186 WeakPolarHBondContact O-CG2 3.41Å; L182-V186 PolarHBondContact O-N 2.94Å; L183-V186 PolarHBondContact O-N 2.96Å; V186-N189 WeakPolarHBondContact O-CB 3.26Å; V186-N189 PolarHBondContact O-N 3.37Å; V186-M190 HydrophobicContact CG1-CG 4.43Å; V186-M190 WeakPolarHBondContact O-CB 3.39Å; V186-M190 VanDerWaalsContact O-CG 3.3Å; V186-M190 WeakPolarHBondContact O-CG 3.32Å; V186-M190 PolarHBondContact O-N 3.35Å
187L91.7Very high87Confident112 Ų11293.9 Ų93.959%0.58650%0.5SS*.Hα-helixtrans-67.1-35.5177.2-70.7172.8000112.3L183 S191L183-L187 VanDerWaalsContact O-CB 3.26Å; L183-L187 WeakPolarHBondContact O-CB 3.33Å; L183-L187 VanDerWaalsContact O-CG 3.23Å; L183-L187 WeakPolarHBondContact O-CG 3.38Å; L183-L187 PolarHBondContact O-N 3.26Å; L187-S191 WeakPolarHBondContact O-CB 3.39Å; L187-S191 PolarHBondContact O-N 2.92Å; L187-S191 PolarHBondContact O-OG 2.93Å
188H91.4Very high85.1Confident127 Ų12794.9 Ų94.959%0.58850%0.504SS*.Hα-helixtrans-65.4-46.3171.5178.9-95.1000111G184 I185 S191 C192G184-H188 WeakPolarHBondContact O-CB 3.23Å; G184-H188 PolarHBondContact O-N 3.47Å; I185-H188 PolarHBondContact O-N 3.26Å; H188-S191 PolarHBondContact O-N 2.87Å; H188-C192 VanDerWaalsContact CE1-SG 3.5Å; H188-C192 WeakPolarHBondContact O-CB 3.49Å; H188-C192 PolarHBondContact O-N 3.33Å; H188-C192 PolarHBondContact O-SG 3.46Å
189N88.6Confident83.1Confident83 Ų8396.5 Ų96.544%0.44451%0.514SS..Hα-helixtrans-58.9-50.9176.3-174.3-82.8000111.2I185 V186 S191 C192 I193I185-N189 VanDerWaalsContact O-CB 3.23Å; I185-N189 WeakPolarHBondContact O-CB 3.14Å; I185-N189 PolarHBondContact O-N 3.05Å; V186-N189 WeakPolarHBondContact O-CB 3.26Å; V186-N189 PolarHBondContact O-N 3.37Å; N189-S191 PolarHBondContact O-N 3.49Å; N189-C192 PolarHBondContact O-N 2.98Å; N189-I193 WeakPolarHBondContact O-CB 3.37Å; N189-I193 VanDerWaalsContact O-CG1 3.25Å; N189-I193 WeakPolarHBondContact O-CG1 3.32Å; N189-I193 PolarHBondContact O-N 3.11Å; N189-I193 WeakPolarHBondContact OD1-CD1 3.27Å
190M87.9Confident81.1Confident93 Ų9397.4 Ų97.446%0.45852%0.518SS..Hα-helixtrans-58.3-44.1173.3-71.1-63.7104.700112V186 C192 I193 S194V186-M190 HydrophobicContact CG1-CG 4.43Å; V186-M190 WeakPolarHBondContact O-CB 3.39Å; V186-M190 VanDerWaalsContact O-CG 3.3Å; V186-M190 WeakPolarHBondContact O-CG 3.32Å; V186-M190 PolarHBondContact O-N 3.35Å; M190-C192 PolarHBondContact O-N 3Å; M190-I193 HydrophobicContact CE-CD1 4.15Å; M190-I193 PolarHBondContact O-N 3.1Å; M190-S194 WeakPolarHBondContact O-CB 3.43Å; M190-S194 PolarHBondContact O-N 3.49Å; M190-S194 PolarHBondContact O-OG 3.3Å; M190-S194 VanDerWaalsContact O-OG 3.08Å
191S86.5Confident79Confident58 Ų5897.8 Ų97.841%0.40653%0.525SS..Hα-helixtrans-65.6-38.1178.7-66.80000113.2L187 H188 N189 K195L187-S191 WeakPolarHBondContact O-CB 3.39Å; L187-S191 PolarHBondContact O-N 2.92Å; L187-S191 PolarHBondContact O-OG 2.93Å; H188-S191 PolarHBondContact O-N 2.87Å; N189-S191 PolarHBondContact O-N 3.49Å; S191-K195 WeakPolarHBondContact O-CB 3.33Å; S191-K195 WeakPolarHBondContact O-CG 3.31Å; S191-K195 PolarHBondContact O-N 3.49Å; S191-K195 VanDerWaalsContact O-N 3.16Å
192C78.6Confident76.5Confident51 Ų5196.9 Ų96.935%0.34554%0.535SS..Hα-helixtrans-70.4-34174.6-730000112.2H188 N189 M190 R196H188-C192 VanDerWaalsContact CE1-SG 3.5Å; H188-C192 WeakPolarHBondContact O-CB 3.49Å; H188-C192 PolarHBondContact O-N 3.33Å; H188-C192 PolarHBondContact O-SG 3.46Å; N189-C192 PolarHBondContact O-N 2.98Å; M190-C192 PolarHBondContact O-N 3Å; C192-R196 WeakPolarHBondContact O-CG 3.4Å; C192-R196 PolarHBondContact O-N 2.97Å
193I70.6Confident73.7Confident64 Ų6499.4 Ų99.433%0.32858%0.583SS.*Hα-helixtrans-73.6-50.3176.5-72.5173.4000110.6N189 M190 K195 R196 F197N189-I193 WeakPolarHBondContact O-CB 3.37Å; N189-I193 VanDerWaalsContact O-CG1 3.25Å; N189-I193 WeakPolarHBondContact O-CG1 3.32Å; N189-I193 PolarHBondContact O-N 3.11Å; N189-I193 WeakPolarHBondContact OD1-CD1 3.27Å; M190-I193 HydrophobicContact CE-CD1 4.15Å; M190-I193 PolarHBondContact O-N 3.1Å; I193-K195 VanDerWaalsContact C-N 3.32Å; I193-K195 PolarHBondContact O-N 3.29Å; I193-R196 WeakPolarHBondContact O-CA 3.5Å; I193-R196 WeakPolarHBondContact O-CB 3.38Å; I193-R196 PolarHBondContact O-N 3.18Å; I193-F197 HydrophobicContact CG2-CD2 3.79Å; I193-F197 HydrophobicContact CG2-CE2 3.6Å; I193-F197 WeakPolarHBondContact O-CD2 3.39Å; I193-F197 PolarHBondContact O-N 3.43Å
194S70.9Confident72.6Confident67 Ų6799.1 Ų99.147%0.46958%0.584SS.*Hα-helixtrans-59.8-39.9179.1-63.30000112.3M190 R196 F197 T198M190-S194 WeakPolarHBondContact O-CB 3.43Å; M190-S194 PolarHBondContact O-N 3.49Å; M190-S194 PolarHBondContact O-OG 3.3Å; M190-S194 VanDerWaalsContact O-OG 3.08Å; S194-R196 PolarHBondContact O-N 3.31Å; S194-F197 PolarHBondContact O-N 3.37Å; S194-F197 VanDerWaalsContact O-N 3.09Å; S194-T198 PolarHBondContact O-N 3.05Å; S194-T198 PolarHBondContact O-OG1 3.41Å
195K66.9Low71.3Confident145 Ų145102.2 Ų102.263%0.6359%0.594SS**Hα-helixtrans-63.8-23.5172.6-77.7-175.6177.671.10114.1S191 I193 V199S191-K195 WeakPolarHBondContact O-CB 3.33Å; S191-K195 WeakPolarHBondContact O-CG 3.31Å; S191-K195 PolarHBondContact O-N 3.49Å; S191-K195 VanDerWaalsContact O-N 3.16Å; I193-K195 VanDerWaalsContact C-N 3.32Å; I193-K195 PolarHBondContact O-N 3.29Å; K195-V199 WeakPolarHBondContact O-CG2 3.38Å
196R65.9Low69.9Low125 Ų125103.2 Ų103.247%0.47260%0.603SS.*Hα-helixtrans-79.7-26.6172.5-72.9176.9-177.2-169.62.3112.4C192 I193 S194 I200C192-R196 WeakPolarHBondContact O-CG 3.4Å; C192-R196 PolarHBondContact O-N 2.97Å; I193-R196 WeakPolarHBondContact O-CA 3.5Å; I193-R196 WeakPolarHBondContact O-CB 3.38Å; I193-R196 PolarHBondContact O-N 3.18Å; S194-R196 PolarHBondContact O-N 3.31Å; R196-I200 VanDerWaalsContact O-CD1 3.26Å; R196-I200 WeakPolarHBondContact O-CD1 3.27Å; R196-I200 WeakPolarHBondContact O-CG1 3.41Å
197F56.8Low68.4Low136 Ų136104.3 Ų104.360%0.59661%0.608SS**Hα-helixtrans-84.7-39.9178.5-77.5-69.7000113.2I193 S194 V199 I200I193-F197 HydrophobicContact CG2-CD2 3.79Å; I193-F197 HydrophobicContact CG2-CE2 3.6Å; I193-F197 WeakPolarHBondContact O-CD2 3.39Å; I193-F197 PolarHBondContact O-N 3.43Å; S194-F197 PolarHBondContact O-N 3.37Å; S194-F197 VanDerWaalsContact O-N 3.09Å; F197-V199 PolarHBondContact O-N 3.35Å; F197-I200 PolarHBondContact O-N 2.82Å
198T57.5Low67Low97 Ų97103.8 Ų103.860%0.59561%0.61SS**Hα-helixtrans-64.1-26.7-179.753.20000113.9S194 I200S194-T198 PolarHBondContact O-N 3.05Å; S194-T198 PolarHBondContact O-OG1 3.41Å; T198-I200 PolarHBondContact O-N 3.19Å
199V55.5Low65.3Low118 Ų118102.3 Ų102.372%0.71561%0.611SS**THydrogen-bonded Turntrans-71.2-17.8174.8176.20000112.7K195 F197K195-V199 WeakPolarHBondContact O-CG2 3.38Å; F197-V199 PolarHBondContact O-N 3.35Å
200I55.8Low63.7Low118 Ų118103.6 Ų103.661%0.60562%0.623SS**THydrogen-bonded Turntrans-95.2-20.8-176.5-55.4170.2000111.9R196 F197 T198R196-I200 VanDerWaalsContact O-CD1 3.26Å; R196-I200 WeakPolarHBondContact O-CD1 3.27Å; R196-I200 WeakPolarHBondContact O-CG1 3.41Å; F197-I200 PolarHBondContact O-N 2.82Å; T198-I200 PolarHBondContact O-N 3.19Å
201S54.1Low61.8Low109 Ų109104.5 Ų104.576%0.76264%0.636SS**SBendtrans-92.10.5-176.6-77.50000115.8
202C44.6Very low59.8Low125 Ų125108.3 Ų108.385%0.84566%0.655SS**  trans-107.680.6167.6-84.30000109.8
203G39.8Very low58Low145 Ų145113.5 Ų113.5100%1.49568%0.683SS**  trans-165.70175.900000110.6

Retrieved 203 of 203 residues in 78 ms (Link to these results)

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