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Complex III assembly factor LYRM7

Assembly factor required for Rieske Fe-S protein UQCRFS1 incorporation into the cytochrome b-c1 (CIII) complex. Functions as a chaperone, binding to this subunit within the mitochondrial matrix and stabilizing it prior to its translocation and insertion into the late CIII dimeric intermediate within the mitochondrial inner membrane.

AlphaFold DB , UniProt , Accession A0A060XV48, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene lyrm7, Length 123 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
1M58.2Low87.4Confident204 Ų20499.4 Ų99.4100%1.00549%0.485SS*.  0-420-70.3-66.5-167.100113.8S3M1-S3 PolarHBondContact O-N 3.36Å
2A74.1Confident88.1Confident66 Ų66102 Ų10255%0.54549%0.492SS..Hα-helixtrans-64.5-33.4-177.200000115L5 K6A2-L5 PolarHBondContact O-N 3.42Å; A2-K6 PolarHBondContact O-N 3.47Å
3S80.3Confident88.7Confident55 Ų5596.4 Ų96.439%0.38547%0.473SS..Hα-helixtrans-63.6-46178.849.90000112.5M1 L5 K6 V7M1-S3 PolarHBondContact O-N 3.36Å; S3-L5 VanDerWaalsContact C-N 3.3Å; S3-L5 PolarHBondContact O-N 3.3Å; S3-K6 WeakPolarHBondContact O-CB 3.4Å; S3-K6 PolarHBondContact O-N 3.47Å; S3-K6 VanDerWaalsContact O-N 3.07Å; S3-V7 WeakPolarHBondContact O-CG2 3.13Å; S3-V7 PolarHBondContact O-N 3.42Å
4R88.8Confident89.3Confident180 Ų18090.1 Ų90.168%0.67944%0.442SS*.Hα-helixtrans-55.7-42.7177.3-177.5-179.4169.6107.3-3.5112.6V7 L8R4-V7 PolarHBondContact O-N 3.42Å; R4-L8 HydrophobicContact CG-CD1 4.26Å; R4-L8 WeakPolarHBondContact O-CG 3.27Å; R4-L8 PolarHBondContact O-N 3.4Å; R4-L8 VanDerWaalsContact O-N 3.07Å
5L92.3Very high89.7Confident102 Ų10286.2 Ų86.253%0.53442%0.422SS..Hα-helixtrans-63.8-41.2177.7-73.2168.5000111.7A2 S3 L8 R9A2-L5 PolarHBondContact O-N 3.42Å; S3-L5 VanDerWaalsContact C-N 3.3Å; S3-L5 PolarHBondContact O-N 3.3Å; L5-L8 PolarHBondContact O-N 2.87Å; L5-R9 VanDerWaalsContact O-CG 3.29Å; L5-R9 WeakPolarHBondContact O-CG 3.37Å; L5-R9 PolarHBondContact O-N 3.45Å
6K93.1Very high90Very high119 Ų11990.8 Ų90.852%0.51743%0.433SS..Hα-helixtrans-63.2-45.8177-67.9177.4-178.8-178.90111.5A2 S3 L8 R9 V10 I56A2-K6 PolarHBondContact O-N 3.47Å; S3-K6 WeakPolarHBondContact O-CB 3.4Å; S3-K6 PolarHBondContact O-N 3.47Å; S3-K6 VanDerWaalsContact O-N 3.07Å; K6-L8 PolarHBondContact O-N 3.01Å; K6-R9 PolarHBondContact O-N 3.26Å; K6-V10 PolarHBondContact O-N 3.44Å; K6-V10 VanDerWaalsContact O-N 3.11Å; K6-I56 HydrophobicContact CB-CD1 4.07Å
7V93.9Very high90.3Very high44 Ų4485.5 Ų85.527%0.26741%0.409SS..Hα-helixtrans-56.6-49.8175.9177.10000110.9S3 R4 R9 V10 F11 F40 I52 I56S3-V7 WeakPolarHBondContact O-CG2 3.13Å; S3-V7 PolarHBondContact O-N 3.42Å; R4-V7 PolarHBondContact O-N 3.42Å; V7-R9 VanDerWaalsContact C-N 3.31Å; V7-R9 PolarHBondContact O-N 3.33Å; V7-V10 PolarHBondContact O-N 3.32Å; V7-F11 WeakPolarHBondContact O-CB 3.38Å; V7-F11 PolarHBondContact O-N 3.3Å; V7-F40 HydrophobicContact CG1-CD1 4.19Å; V7-F40 HydrophobicContact CG1-CE1 3.96Å; V7-I52 HydrophobicContact CG2-CG2 4.3Å; V7-I56 HydrophobicContact CG2-CD1 3.64Å; V7-I56 HydrophobicContact CG2-CG1 3.8Å
8L94.1Very high90.5Very high73 Ų7382.3 Ų82.338%0.38239%0.392SS..Hα-helixtrans-66-32.1-179-68.9175.9000113R4 L5 K6 K12R4-L8 HydrophobicContact CG-CD1 4.26Å; R4-L8 WeakPolarHBondContact O-CG 3.27Å; R4-L8 PolarHBondContact O-N 3.4Å; R4-L8 VanDerWaalsContact O-N 3.07Å; L5-L8 PolarHBondContact O-N 2.87Å; K6-L8 PolarHBondContact O-N 3.01Å; L8-K12 WeakPolarHBondContact O-CB 3.46Å; L8-K12 VanDerWaalsContact O-CG 3.3Å; L8-K12 WeakPolarHBondContact O-CG 3.33Å; L8-K12 PolarHBondContact O-N 3.2Å
9R95.2Very high90.6Very high178 Ų17883.5 Ų83.567%0.67240%0.398SS*.Hα-helixtrans-64.1-49.6174.1-76.7175.5-171.8179.92.4111L5 K6 V7 K12 A13L5-R9 VanDerWaalsContact O-CG 3.29Å; L5-R9 WeakPolarHBondContact O-CG 3.37Å; L5-R9 PolarHBondContact O-N 3.45Å; K6-R9 PolarHBondContact O-N 3.26Å; V7-R9 VanDerWaalsContact C-N 3.31Å; V7-R9 PolarHBondContact O-N 3.33Å; R9-K12 PolarHBondContact O-N 3.4Å; R9-A13 WeakPolarHBondContact O-CB 3.28Å; R9-A13 PolarHBondContact O-N 3.39Å
10V95.9Very high90.6Very high20 Ų2085.1 Ų85.112%0.12141%0.405CS..Hα-helixtrans-65.5-40.8179.3179.10000111.2K6 V7 K12 A13 L14 I56 A59 A60K6-V10 PolarHBondContact O-N 3.44Å; K6-V10 VanDerWaalsContact O-N 3.11Å; V7-V10 PolarHBondContact O-N 3.32Å; V10-K12 VanDerWaalsContact C-N 3.35Å; V10-K12 PolarHBondContact O-N 3.3Å; V10-A13 PolarHBondContact O-N 3.13Å; V10-L14 HydrophobicContact CG1-CD1 4.23Å; V10-L14 PolarHBondContact O-N 3.44Å; V10-I56 HydrophobicContact CG2-CG2 4.09Å; V10-A59 HydrophobicContact CG1-CB 3.48Å; V10-A59 VanDerWaalsContact CG1-CB 3.48Å; V10-A60 HydrophobicContact CG2-CB 4.35Å
11F95.7Very high90.5Very high52 Ų5281.3 Ų81.323%0.22839%0.388CS..Hα-helixtrans-57.3-46.1174.4-178.5-101.7000112.4V7 H15 I36 N37 F40V7-F11 WeakPolarHBondContact O-CB 3.38Å; V7-F11 PolarHBondContact O-N 3.3Å; F11-H15 AromaticContact CE1-CD2 3.58Å; F11-H15 AromaticContact CE1-NE2 3.84Å; F11-H15 AromaticContact CE2-CD2 3.91Å; F11-H15 AromaticContact CE2-NE2 3.63Å; F11-H15 AromaticContact CZ-CD2 3.51Å; F11-H15 AromaticContact CZ-NE2 3.28Å; F11-H15 VanDerWaalsContact CZ-NE2 3.28Å; F11-H15 WeakPolarHBondContact CZ-NE2 3.23Å; F11-H15 PolarHBondContact O-CD2 3.37Å; F11-H15 PolarHBondContact O-N 3.49Å; F11-I36 HydrophobicContact CD2-CG2 4.01Å; F11-I36 HydrophobicContact CE2-CG2 3.77Å; F11-N37 WeakPolarHBondContact CZ-OD1 3.46Å; F11-F40 HydrophobicContact CB-CD1 4.25Å; F11-F40 HydrophobicContact CB-CE1 3.74Å; F11-F40 HydrophobicContact CB-CZ 4.04Å; F11-F40 HydrophobicContact CD2-CB 4.2Å; F11-F40 AromaticContact CD2-CD1 3.62Å; F11-F40 HydrophobicContact CD2-CD1 3.62Å; F11-F40 AromaticContact CD2-CD2 3.79Å; F11-F40 HydrophobicContact CD2-CD2 3.79Å; F11-F40 AromaticContact CD2-CE1 3.82Å; F11-F40 HydrophobicContact CD2-CE1 3.82Å; F11-F40 AromaticContact CD2-CE2 3.97Å; F11-F40 HydrophobicContact CD2-CE2 3.97Å; F11-F40 AromaticContact CD2-CG 3.59Å; F11-F40 HydrophobicContact CD2-CG 3.59Å; F11-F40 AromaticContact CD2-CZ 3.98Å; F11-F40 HydrophobicContact CD2-CZ 3.98Å; F11-F40 HydrophobicContact CE2-CB 4.19Å; F11-F40 HydrophobicContact CE2-CD1 4.43Å; F11-F40 HydrophobicContact CE2-CD2 4.25Å; F11-F40 HydrophobicContact CE2-CG 4.04Å; F11-F40 HydrophobicContact CG-CD1 4.32Å; F11-F40 HydrophobicContact CG-CE1 4.26Å
12K96.3Very high92.1Very high131 Ų13174.1 Ų74.157%0.5735%0.351SS*.Hα-helixtrans-65.7-40.4175.5-75.1178.9-179-175.50111.9L8 R9 V10 H15 R16L8-K12 WeakPolarHBondContact O-CB 3.46Å; L8-K12 VanDerWaalsContact O-CG 3.3Å; L8-K12 WeakPolarHBondContact O-CG 3.33Å; L8-K12 PolarHBondContact O-N 3.2Å; R9-K12 PolarHBondContact O-N 3.4Å; V10-K12 VanDerWaalsContact C-N 3.35Å; V10-K12 PolarHBondContact O-N 3.3Å; K12-H15 PolarHBondContact O-N 3.44Å; K12-R16 WeakPolarHBondContact O-CG 3.27Å; K12-R16 PolarHBondContact O-N 3.25Å
13A95.8Very high92.9Very high29 Ų2977 Ų7724%0.2435%0.351CS..Hα-helixtrans-60.5-51.4178.200000111R9 V10 H15 R16 T17 E63R9-A13 WeakPolarHBondContact O-CB 3.28Å; R9-A13 PolarHBondContact O-N 3.39Å; V10-A13 PolarHBondContact O-N 3.13Å; A13-H15 VanDerWaalsContact C-N 3.27Å; A13-H15 PolarHBondContact O-N 3.37Å; A13-R16 WeakPolarHBondContact O-CB 3.45Å; A13-R16 PolarHBondContact O-N 3.07Å; A13-T17 PolarHBondContact O-N 2.92Å; A13-T17 PolarHBondContact O-OG1 3.16Å; A13-E63 HydrophobicContact CB-CG 3.88Å
14L96.1Very high93.4Very high9 Ų980.5 Ų80.55%0.04736%0.361CS..Hα-helixtrans-55.4-41.4176-78168.8000112.8V10 T17 R18 I36 F40 A59 V62 E63 L66V10-L14 HydrophobicContact CG1-CD1 4.23Å; V10-L14 PolarHBondContact O-N 3.44Å; L14-T17 PolarHBondContact O-N 3.13Å; L14-R18 WeakPolarHBondContact O-CB 3.37Å; L14-R18 PolarHBondContact O-N 2.87Å; L14-I36 HydrophobicContact CB-CD1 4.2Å; L14-F40 HydrophobicContact CD1-CE2 3.85Å; L14-F40 HydrophobicContact CD1-CZ 4.07Å; L14-A59 HydrophobicContact CD1-CB 4.21Å; L14-V62 HydrophobicContact CD2-CG1 4.22Å; L14-E63 HydrophobicContact CD2-CB 3.82Å; L14-E63 HydrophobicContact CD2-CG 4.23Å; L14-E63 HydrophobicContact CG-CB 4.24Å; L14-E63 HydrophobicContact CG-CG 4.37Å; L14-L66 HydrophobicContact CD2-CD1 4.23Å
15H95.9Very high93.5Very high31 Ų3174.8 Ų74.814%0.14434%0.344CS..Hα-helixtrans-67.1-35.5176.9-89.1-54.9000113.6F11 K12 A13 R18 M19 N37F11-H15 AromaticContact CE1-CD2 3.58Å; F11-H15 AromaticContact CE1-NE2 3.84Å; F11-H15 AromaticContact CE2-CD2 3.91Å; F11-H15 AromaticContact CE2-NE2 3.63Å; F11-H15 AromaticContact CZ-CD2 3.51Å; F11-H15 AromaticContact CZ-NE2 3.28Å; F11-H15 VanDerWaalsContact CZ-NE2 3.28Å; F11-H15 WeakPolarHBondContact CZ-NE2 3.23Å; F11-H15 PolarHBondContact O-CD2 3.37Å; F11-H15 PolarHBondContact O-N 3.49Å; K12-H15 PolarHBondContact O-N 3.44Å; A13-H15 VanDerWaalsContact C-N 3.27Å; A13-H15 PolarHBondContact O-N 3.37Å; H15-R18 PolarHBondContact ND1-NH1 3.41Å; H15-M19 WeakPolarHBondContact O-CG 3.45Å; H15-M19 PolarHBondContact O-N 3.03Å; H15-N37 PolarHBondContact NE2-OD1 3.35Å
16R95Very high93.6Very high159 Ų15975 Ų7560%0.635%0.35SS*.Hα-helixtrans-66.7-50.2173-70.5172.3179-175.5-3.9110.7K12 A13 R18 M19 E20K12-R16 WeakPolarHBondContact O-CG 3.27Å; K12-R16 PolarHBondContact O-N 3.25Å; A13-R16 WeakPolarHBondContact O-CB 3.45Å; A13-R16 PolarHBondContact O-N 3.07Å; R16-R18 VanDerWaalsContact C-N 3.26Å; R16-R18 PolarHBondContact O-N 3.43Å; R16-M19 HydrophobicContact CG-CE 4.35Å; R16-M19 WeakPolarHBondContact O-CB 3.44Å; R16-M19 PolarHBondContact O-N 3.31Å; R16-E20 PolarHBondContact O-N 3.44Å; R16-E20 VanDerWaalsContact O-N 3.12Å
17T93.8Very high93.7Very high2 Ų279.2 Ų79.21%0.01236%0.363CS..Hα-helixtrans-58.5-38.3179.8-50.70000111.5A13 L14 M19 E20 L21 E63 L66 R67A13-T17 PolarHBondContact O-N 2.92Å; A13-T17 PolarHBondContact O-OG1 3.16Å; L14-T17 PolarHBondContact O-N 3.13Å; T17-M19 PolarHBondContact O-N 3.01Å; T17-E20 PolarHBondContact O-N 3.43Å; T17-L21 HydrophobicContact CG2-CD1 4.26Å; T17-L21 HydrophobicContact CG2-CG 4.45Å; T17-L21 WeakPolarHBondContact O-CB 3.29Å; T17-L21 WeakPolarHBondContact O-CG 3.45Å; T17-L21 PolarHBondContact O-N 3.07Å; T17-E63 PolarHBondContact OG1-OE1 2.85Å; T17-L66 HydrophobicContact CG2-CB 3.95Å; T17-R67 HydrophobicContact CG2-CB 4.39Å
18R93.8Very high93.6Very high28 Ų2878.1 Ų78.111%0.10636%0.358CS..Hα-helixtrans-60-43.7172.8-172.5-152.780.4-146.2-0.9113L14 H15 R16 E20 L21 F22 L29 A32 I36L14-R18 WeakPolarHBondContact O-CB 3.37Å; L14-R18 PolarHBondContact O-N 2.87Å; H15-R18 PolarHBondContact ND1-NH1 3.41Å; R16-R18 VanDerWaalsContact C-N 3.26Å; R16-R18 PolarHBondContact O-N 3.43Å; R18-E20 VanDerWaalsContact C-N 3.31Å; R18-L21 PolarHBondContact O-N 2.92Å; R18-F22 HydrophobicContact CG-CD2 3.79Å; R18-F22 HydrophobicContact CG-CE2 4.27Å; R18-F22 PolarHBondContact O-N 3.31Å; R18-F22 VanDerWaalsContact O-N 3.1Å; R18-L29 WeakPolarHBondContact CD-O 3.19Å; R18-L29 HydrophobicContact CG-CD2 4.26Å; R18-L29 PolarHBondContact NE-O 2.76Å; R18-L29 WeakPolarHBondContact O-CD2 3.48Å; R18-A32 HydrophobicContact CG-CB 3.58Å; R18-I36 HydrophobicContact CB-CD1 4.48Å
19M93Very high93.7Very high104 Ų10476.3 Ų76.351%0.51235%0.349SS..Hα-helixtrans-66.2-37.2-178.5-70.2-174.7-59.200111.6H15 R16 T17H15-M19 WeakPolarHBondContact O-CG 3.45Å; H15-M19 PolarHBondContact O-N 3.03Å; R16-M19 HydrophobicContact CG-CE 4.35Å; R16-M19 WeakPolarHBondContact O-CB 3.44Å; R16-M19 PolarHBondContact O-N 3.31Å; T17-M19 PolarHBondContact O-N 3.01Å
20E90.5Very high93.8Very high115 Ų11571.8 Ų71.854%0.53734%0.341SS..Hα-helixtrans-73-38.3175.6-68.6168.2-164.200112R16 T17 R18R16-E20 PolarHBondContact O-N 3.44Å; R16-E20 VanDerWaalsContact O-N 3.12Å; T17-E20 PolarHBondContact O-N 3.43Å; R18-E20 VanDerWaalsContact C-N 3.31Å
21L89.9Confident93.8Very high7 Ų773.5 Ų73.54%0.03736%0.357CS..Hα-helixtrans-68-46.3-177.9-96.3179.5000114.8T17 R18 L66 V70 Q72T17-L21 HydrophobicContact CG2-CD1 4.26Å; T17-L21 HydrophobicContact CG2-CG 4.45Å; T17-L21 WeakPolarHBondContact O-CB 3.29Å; T17-L21 WeakPolarHBondContact O-CG 3.45Å; T17-L21 PolarHBondContact O-N 3.07Å; R18-L21 PolarHBondContact O-N 2.92Å; L21-L66 HydrophobicContact CD1-CB 3.65Å; L21-L66 HydrophobicContact CD1-CD1 4.27Å; L21-L66 HydrophobicContact CD1-CD2 3.76Å; L21-L66 HydrophobicContact CD1-CG 4.08Å; L21-L66 WeakPolarHBondContact CD1-O 3.28Å; L21-L66 WeakPolarHBondContact CD2-O 3.39Å; L21-V70 HydrophobicContact CD2-CB 3.97Å; L21-V70 HydrophobicContact CD2-CG1 3.85Å; L21-Q72 PolarHBondContact O-OE1 3.43Å
22F91.7Very high93.8Very high53 Ų5372.2 Ų72.223%0.23236%0.356CS..THydrogen-bonded Turntrans-110.542.2-170.3-59.4-66.8000109.9R18 E24 D25 A28 L29 A32R18-F22 HydrophobicContact CG-CD2 3.79Å; R18-F22 HydrophobicContact CG-CE2 4.27Å; R18-F22 PolarHBondContact O-N 3.31Å; R18-F22 VanDerWaalsContact O-N 3.1Å; F22-E24 PolarHBondContact O-N 3.38Å; F22-D25 HydrophobicContact CB-CB 4.39Å; F22-D25 PolarHBondContact O-N 3.5Å; F22-D25 VanDerWaalsContact O-N 3.11Å; F22-A28 HydrophobicContact CB-CB 3.96Å; F22-A28 HydrophobicContact CD1-CB 3.52Å; F22-A28 HydrophobicContact CD2-CB 4.44Å; F22-A28 HydrophobicContact CE1-CB 4.08Å; F22-A28 HydrophobicContact CG-CB 3.72Å; F22-L29 HydrophobicContact CB-CD2 3.88Å; F22-L29 HydrophobicContact CB-CG 3.93Å; F22-L29 WeakPolarHBondContact O-CD1 3.34Å; F22-L29 VanDerWaalsContact O-CG 3.23Å; F22-L29 WeakPolarHBondContact O-CG 3.33Å; F22-A32 HydrophobicContact CD2-CB 4.44Å; F22-A32 HydrophobicContact CE2-CB 4.13Å
23K89.6Confident93.8Very high127 Ų12773 Ų7355%0.55236%0.355SS*.THydrogen-bonded Turntrans-59.1132.8-177.1-171.1178.5174.4-172.40108.8D25 Q72K23-D25 PolarHBondContact O-N 2.96Å; K23-Q72 PolarHBondContact O-NE2 3.39Å; K23-Q72 VanDerWaalsContact O-NE2 3.15Å; K23-Q72 PolarHBondContact O-OE1 2.92Å
24E90.3Very high93.9Very high127 Ų12780 Ų8059%0.59338%0.375SS*.THydrogen-bonded Turntrans65.1-6-177.6-64.5151-149.100115.9F22 T26 R84F22-E24 PolarHBondContact O-N 3.38Å; E24-T26 PolarHBondContact O-N 2.99Å; E24-R84 IonicContact OE2-CZ 2.85Å; E24-R84 IonicContact OE2-NH1 2.71Å; E24-R84 PolarHBondContact OE2-NH1 3.17Å; E24-R84 IonicContact OE2-NH2 3.58Å
25D92.1Very high93.9Very high60 Ų6084.9 Ų84.932%0.32140%0.396SS..  trans-90.286.5172.2-173.4-16.8000110.8F22 K23 R27 A28 L29F22-D25 HydrophobicContact CB-CB 4.39Å; F22-D25 PolarHBondContact O-N 3.5Å; F22-D25 VanDerWaalsContact O-N 3.11Å; K23-D25 PolarHBondContact O-N 2.96Å; D25-R27 PolarHBondContact O-N 3.11Å; D25-R27 PolarHBondContact OD1-N 3.07Å; D25-R27 VanDerWaalsContact OD1-N 3.15Å; D25-A28 HydrophobicContact CB-CB 4.05Å; D25-A28 PolarHBondContact O-N 2.72Å; D25-A28 PolarHBondContact OD1-N 2.92Å; D25-A28 WeakPolarHBondContact OD2-CB 3.45Å; D25-L29 WeakPolarHBondContact O-CB 3.3Å; D25-L29 WeakPolarHBondContact O-CG 3.42Å; D25-L29 PolarHBondContact O-N 3.23Å
26T94.3Very high93.9Very high107 Ų10784.5 Ų84.566%0.65640%0.395SS*.Hα-helixtrans-59.5-32.8-178.959.60000113.2E24 T30E24-T26 PolarHBondContact O-N 2.99Å; T26-T30 WeakPolarHBondContact O-CB 3.29Å; T26-T30 PolarHBondContact O-N 3.02Å; T26-T30 PolarHBondContact O-OG1 3.34Å
27R94.1Very high94Very high208 Ų20878.6 Ų78.679%0.78538%0.375SS*.Hα-helixtrans-70.2-50.3179.8-177.5-178.8173-164.5-2.1110.1D25 T30 A31D25-R27 PolarHBondContact O-N 3.11Å; D25-R27 PolarHBondContact OD1-N 3.07Å; D25-R27 VanDerWaalsContact OD1-N 3.15Å; R27-T30 PolarHBondContact O-N 3.34Å; R27-A31 WeakPolarHBondContact O-CB 3.24Å; R27-A31 PolarHBondContact O-N 3.33Å
28A93.3Very high94.1Very high20 Ų2082.3 Ų82.317%0.16539%0.393CS..Hα-helixtrans-65.5-41.2177.400000111.9F22 D25 T30 A31 A32F22-A28 HydrophobicContact CB-CB 3.96Å; F22-A28 HydrophobicContact CD1-CB 3.52Å; F22-A28 HydrophobicContact CD2-CB 4.44Å; F22-A28 HydrophobicContact CE1-CB 4.08Å; F22-A28 HydrophobicContact CG-CB 3.72Å; D25-A28 HydrophobicContact CB-CB 4.05Å; D25-A28 PolarHBondContact O-N 2.72Å; D25-A28 PolarHBondContact OD1-N 2.92Å; D25-A28 WeakPolarHBondContact OD2-CB 3.45Å; A28-T30 VanDerWaalsContact C-N 3.29Å; A28-T30 PolarHBondContact O-N 2.92Å; A28-A31 PolarHBondContact O-N 3.28Å; A28-A32 VanDerWaalsContact O-CB 3.3Å; A28-A32 WeakPolarHBondContact O-CB 3.44Å; A28-A32 PolarHBondContact O-N 2.97Å
29L95.4Very high94.2Very high36 Ų3684 Ų8419%0.18840%0.401CS..Hα-helixtrans-56.9-43.2174.5-74.3169.8000111.9R18 F22 D25 R33R18-L29 WeakPolarHBondContact CD-O 3.19Å; R18-L29 HydrophobicContact CG-CD2 4.26Å; R18-L29 PolarHBondContact NE-O 2.76Å; R18-L29 WeakPolarHBondContact O-CD2 3.48Å; F22-L29 HydrophobicContact CB-CD2 3.88Å; F22-L29 HydrophobicContact CB-CG 3.93Å; F22-L29 WeakPolarHBondContact O-CD1 3.34Å; F22-L29 VanDerWaalsContact O-CG 3.23Å; F22-L29 WeakPolarHBondContact O-CG 3.33Å; D25-L29 WeakPolarHBondContact O-CB 3.3Å; D25-L29 WeakPolarHBondContact O-CG 3.42Å; D25-L29 PolarHBondContact O-N 3.23Å; L29-R33 VanDerWaalsContact O-CB 3.24Å; L29-R33 WeakPolarHBondContact O-CB 3.49Å; L29-R33 PolarHBondContact O-N 3.04Å
30T96.6Very high94.3Very high82 Ų8281.7 Ų81.750%0.50339%0.389SS..Hα-helixtrans-72.3-44.4-179.7-57.20000111.6T26 R27 A28 R33 R34T26-T30 WeakPolarHBondContact O-CB 3.29Å; T26-T30 PolarHBondContact O-N 3.02Å; T26-T30 PolarHBondContact O-OG1 3.34Å; R27-T30 PolarHBondContact O-N 3.34Å; A28-T30 VanDerWaalsContact C-N 3.29Å; A28-T30 PolarHBondContact O-N 2.92Å; T30-R33 WeakPolarHBondContact O-CB 3.42Å; T30-R33 PolarHBondContact O-N 2.95Å; T30-R34 WeakPolarHBondContact O-CG 3.11Å; T30-R34 PolarHBondContact O-N 3.32Å
31A96.5Very high94.5Very high57 Ų5785 Ų8547%0.47140%0.396SS..Hα-helixtrans-60.3-49.3177.500000111.5R27 A28 R33 R34 K35R27-A31 WeakPolarHBondContact O-CB 3.24Å; R27-A31 PolarHBondContact O-N 3.33Å; A28-A31 PolarHBondContact O-N 3.28Å; A31-R33 PolarHBondContact O-N 2.96Å; A31-R34 PolarHBondContact O-N 3.46Å; A31-K35 PolarHBondContact O-N 3.47Å
32A95.4Very high94.7Very high24 Ų2490.1 Ų90.120%0.19842%0.419CS..Hα-helixtrans-66.8-36.3177.900000112R18 F22 A28 R34 K35 I36R18-A32 HydrophobicContact CG-CB 3.58Å; F22-A32 HydrophobicContact CD2-CB 4.44Å; F22-A32 HydrophobicContact CE2-CB 4.13Å; A28-A32 VanDerWaalsContact O-CB 3.3Å; A28-A32 WeakPolarHBondContact O-CB 3.44Å; A28-A32 PolarHBondContact O-N 2.97Å; A32-R34 VanDerWaalsContact C-N 3.35Å; A32-R34 PolarHBondContact O-N 3.22Å; A32-K35 PolarHBondContact O-N 2.99Å; A32-I36 WeakPolarHBondContact O-CB 3.33Å; A32-I36 WeakPolarHBondContact O-CD1 3.25Å; A32-I36 VanDerWaalsContact O-CG1 3.25Å; A32-I36 WeakPolarHBondContact O-CG1 3.47Å; A32-I36 PolarHBondContact O-N 3.4Å
33R96.3Very high94.8Very high149 Ų14990.6 Ų90.656%0.56242%0.424SS*.Hα-helixtrans-57.4-47.7171.3-173.1176.7-179.9169.1-1.5111.6L29 T30 A31 N37L29-R33 VanDerWaalsContact O-CB 3.24Å; L29-R33 WeakPolarHBondContact O-CB 3.49Å; L29-R33 PolarHBondContact O-N 3.04Å; T30-R33 WeakPolarHBondContact O-CB 3.42Å; T30-R33 PolarHBondContact O-N 2.95Å; A31-R33 PolarHBondContact O-N 2.96Å; R33-N37 WeakPolarHBondContact O-CB 3.34Å; R33-N37 PolarHBondContact O-N 3.49Å; R33-N37 VanDerWaalsContact O-N 3.13Å; R33-N37 PolarHBondContact O-ND2 2.87Å
34R97.4Very high94.8Very high175 Ų17592.4 Ų92.466%0.6643%0.431SS*.Hα-helixtrans-61.9-48.4179.8-76.4-17765.2-144.9-2.9110.6T30 A31 A32 N37 E38T30-R34 WeakPolarHBondContact O-CG 3.11Å; T30-R34 PolarHBondContact O-N 3.32Å; A31-R34 PolarHBondContact O-N 3.46Å; A32-R34 VanDerWaalsContact C-N 3.35Å; A32-R34 PolarHBondContact O-N 3.22Å; R34-N37 PolarHBondContact O-N 3.09Å; R34-E38 WeakPolarHBondContact O-CB 3.39Å; R34-E38 PolarHBondContact O-N 3.01Å
35K96.7Very high94.8Very high111 Ų11192.9 Ų92.948%0.48344%0.438SS..Hα-helixtrans-62.2-46-178-169.857168.61680112.5A31 A32 N37 E38 E39A31-K35 PolarHBondContact O-N 3.47Å; A32-K35 PolarHBondContact O-N 2.99Å; K35-N37 PolarHBondContact O-N 3.23Å; K35-E38 PolarHBondContact O-N 3.02Å; K35-E39 HydrophobicContact CD-CG 4.26Å; K35-E39 IonicContact NZ-OE1 2.92Å; K35-E39 PolarHBondContact NZ-OE1 3.05Å; K35-E39 WeakPolarHBondContact O-CG 3.24Å; K35-E39 PolarHBondContact O-N 3.21Å
36I96Very high94.7Very high24 Ų2493.2 Ų93.212%0.12344%0.438CS..Hα-helixtrans-58.1-49.2175.5-66.9164.1000110.3F11 L14 R18 A32 E38 E39 F40F11-I36 HydrophobicContact CD2-CG2 4.01Å; F11-I36 HydrophobicContact CE2-CG2 3.77Å; L14-I36 HydrophobicContact CB-CD1 4.2Å; R18-I36 HydrophobicContact CB-CD1 4.48Å; A32-I36 WeakPolarHBondContact O-CB 3.33Å; A32-I36 WeakPolarHBondContact O-CD1 3.25Å; A32-I36 VanDerWaalsContact O-CG1 3.25Å; A32-I36 WeakPolarHBondContact O-CG1 3.47Å; A32-I36 PolarHBondContact O-N 3.4Å; I36-E38 VanDerWaalsContact C-N 3.33Å; I36-E38 PolarHBondContact O-N 3.24Å; I36-E39 PolarHBondContact O-N 2.95Å; I36-F40 HydrophobicContact CG2-CD2 4.09Å; I36-F40 HydrophobicContact CG2-CE2 4.19Å; I36-F40 VanDerWaalsContact O-CD2 3.24Å; I36-F40 WeakPolarHBondContact O-CD2 3.44Å; I36-F40 PolarHBondContact O-N 2.91Å; I36-F40 VanDerWaalsContact O-N 3.13Å
37N96.5Very high94.5Very high34 Ų3494.4 Ų94.418%0.18245%0.445CS..Hα-helixtrans-64.3-37.8-179.5-75.7-24.3000113.1F11 H15 R33 R34 K35 R41F11-N37 WeakPolarHBondContact CZ-OD1 3.46Å; H15-N37 PolarHBondContact NE2-OD1 3.35Å; R33-N37 WeakPolarHBondContact O-CB 3.34Å; R33-N37 PolarHBondContact O-N 3.49Å; R33-N37 VanDerWaalsContact O-N 3.13Å; R33-N37 PolarHBondContact O-ND2 2.87Å; R34-N37 PolarHBondContact O-N 3.09Å; K35-N37 PolarHBondContact O-N 3.23Å; N37-R41 VanDerWaalsContact O-CB 3.27Å; N37-R41 WeakPolarHBondContact O-CB 3.36Å; N37-R41 WeakPolarHBondContact O-CD 3.36Å; N37-R41 WeakPolarHBondContact O-CG 3.3Å; N37-R41 PolarHBondContact O-N 3.36Å
38E96.9Very high94.4Very high80 Ų8086.1 Ų86.137%0.37442%0.419SS..Hα-helixtrans-63.9-50.8179-172.6-171.5156.200111.2R34 K35 I36 F40 R41 K42R34-E38 WeakPolarHBondContact O-CB 3.39Å; R34-E38 PolarHBondContact O-N 3.01Å; K35-E38 PolarHBondContact O-N 3.02Å; I36-E38 VanDerWaalsContact C-N 3.33Å; I36-E38 PolarHBondContact O-N 3.24Å; E38-F40 PolarHBondContact O-N 2.88Å; E38-R41 PolarHBondContact O-N 3Å; E38-R41 VanDerWaalsContact O-N 3.16Å; E38-K42 HydrophobicContact CG-CD 4.48Å; E38-K42 WeakPolarHBondContact O-CG 3.2Å; E38-K42 PolarHBondContact O-N 3.18Å; E38-K42 WeakPolarHBondContact OE1-CE 3.45Å; E38-K42 IonicContact OE1-NZ 3.55Å; E38-K42 PolarHBondContact OE1-NZ 3.35Å
39E95Very high94.2Very high63 Ų6392.8 Ų92.829%0.29445%0.446SS..Hα-helixtrans-65.5-38.1-178.6-63.6-52.9139.400112.3K35 I36 R41 K42 N43K35-E39 HydrophobicContact CD-CG 4.26Å; K35-E39 IonicContact NZ-OE1 2.92Å; K35-E39 PolarHBondContact NZ-OE1 3.05Å; K35-E39 WeakPolarHBondContact O-CG 3.24Å; K35-E39 PolarHBondContact O-N 3.21Å; I36-E39 PolarHBondContact O-N 2.95Å; E39-R41 VanDerWaalsContact C-N 3.34Å; E39-K42 IonicContact OE1-NZ 3.95Å; E39-K42 PolarHBondContact OE1-NZ 2.92Å; E39-K42 IonicContact OE2-NZ 2.72Å; E39-N43 PolarHBondContact O-N 3.41Å; E39-N43 PolarHBondContact O-ND2 3.48Å
40F94.9Very high94Very high56 Ų5698.1 Ų98.125%0.24647%0.47CS..Hα-helixtrans-71.4-28.7174.8-83.3-102.5000113V7 F11 L14 I36 E38 K44 A59V7-F40 HydrophobicContact CG1-CD1 4.19Å; V7-F40 HydrophobicContact CG1-CE1 3.96Å; F11-F40 HydrophobicContact CB-CD1 4.25Å; F11-F40 HydrophobicContact CB-CE1 3.74Å; F11-F40 HydrophobicContact CB-CZ 4.04Å; F11-F40 HydrophobicContact CD2-CB 4.2Å; F11-F40 AromaticContact CD2-CD1 3.62Å; F11-F40 HydrophobicContact CD2-CD1 3.62Å; F11-F40 AromaticContact CD2-CD2 3.79Å; F11-F40 HydrophobicContact CD2-CD2 3.79Å; F11-F40 AromaticContact CD2-CE1 3.82Å; F11-F40 HydrophobicContact CD2-CE1 3.82Å; F11-F40 AromaticContact CD2-CE2 3.97Å; F11-F40 HydrophobicContact CD2-CE2 3.97Å; F11-F40 AromaticContact CD2-CG 3.59Å; F11-F40 HydrophobicContact CD2-CG 3.59Å; F11-F40 AromaticContact CD2-CZ 3.98Å; F11-F40 HydrophobicContact CD2-CZ 3.98Å; F11-F40 HydrophobicContact CE2-CB 4.19Å; F11-F40 HydrophobicContact CE2-CD1 4.43Å; F11-F40 HydrophobicContact CE2-CD2 4.25Å; F11-F40 HydrophobicContact CE2-CG 4.04Å; F11-F40 HydrophobicContact CG-CD1 4.32Å; F11-F40 HydrophobicContact CG-CE1 4.26Å; L14-F40 HydrophobicContact CD1-CE2 3.85Å; L14-F40 HydrophobicContact CD1-CZ 4.07Å; I36-F40 HydrophobicContact CG2-CD2 4.09Å; I36-F40 HydrophobicContact CG2-CE2 4.19Å; I36-F40 VanDerWaalsContact O-CD2 3.24Å; I36-F40 WeakPolarHBondContact O-CD2 3.44Å; I36-F40 PolarHBondContact O-N 2.91Å; I36-F40 VanDerWaalsContact O-N 3.13Å; E38-F40 PolarHBondContact O-N 2.88Å; F40-K44 PolarHBondContact O-N 2.97Å; F40-A59 HydrophobicContact CZ-CB 4.38Å
41R95.4Very high93.8Very high184 Ų18497.2 Ų97.269%0.69446%0.463SS*.Hα-helixtrans-73.6-40.9174.7-78.8171.1-177.3173.2-1.3112.1N37 E38 E39 N43 K44N37-R41 VanDerWaalsContact O-CB 3.27Å; N37-R41 WeakPolarHBondContact O-CB 3.36Å; N37-R41 WeakPolarHBondContact O-CD 3.36Å; N37-R41 WeakPolarHBondContact O-CG 3.3Å; N37-R41 PolarHBondContact O-N 3.36Å; E38-R41 PolarHBondContact O-N 3Å; E38-R41 VanDerWaalsContact O-N 3.16Å; E39-R41 VanDerWaalsContact C-N 3.34Å; R41-N43 PolarHBondContact O-N 3.4Å; R41-K44 VanDerWaalsContact O-CB 3.27Å; R41-K44 WeakPolarHBondContact O-CB 3.43Å; R41-K44 PolarHBondContact O-N 3.44Å
42K95Very high93.6Very high116 Ų11696.4 Ų96.450%0.50445%0.45SS..Hα-helixtrans-54.2-41.6175.7-75.9172.8-178164.30111.3E38 E39E38-K42 HydrophobicContact CG-CD 4.48Å; E38-K42 WeakPolarHBondContact O-CG 3.2Å; E38-K42 PolarHBondContact O-N 3.18Å; E38-K42 WeakPolarHBondContact OE1-CE 3.45Å; E38-K42 IonicContact OE1-NZ 3.55Å; E38-K42 PolarHBondContact OE1-NZ 3.35Å; E39-K42 IonicContact OE1-NZ 3.95Å; E39-K42 PolarHBondContact OE1-NZ 2.92Å; E39-K42 IonicContact OE2-NZ 2.72Å
43N92.4Very high93.5Very high63 Ų6397.9 Ų97.934%0.33746%0.459SS..THydrogen-bonded Turntrans-9614.2-175.5-57.8-50.7000114E39 R41 N45 E46 M55E39-N43 PolarHBondContact O-N 3.41Å; E39-N43 PolarHBondContact O-ND2 3.48Å; R41-N43 PolarHBondContact O-N 3.4Å; N43-N45 VanDerWaalsContact C-N 3.31Å; N43-N45 PolarHBondContact O-N 3.41Å; N43-E46 PolarHBondContact O-N 3.42Å; N43-M55 HydrophobicContact CB-CE 3.99Å; N43-M55 HydrophobicContact CB-SD 3.71Å; N43-M55 WeakPolarHBondContact OD1-CE 3.39Å
44K89.9Confident93.4Very high164 Ų16497 Ų9771%0.71346%0.461SS*.THydrogen-bonded Turntrans-64.8-33.4-175.1-177-175.6174.7-167.20113.3F40 R41F40-K44 PolarHBondContact O-N 2.97Å; R41-K44 VanDerWaalsContact O-CB 3.27Å; R41-K44 WeakPolarHBondContact O-CB 3.43Å; R41-K44 PolarHBondContact O-N 3.44Å
45N90.6Very high93.2Very high138 Ų13891.8 Ų91.874%0.73845%0.445SS*.THydrogen-bonded Turntrans-100.611.4-173.4-58.1-26.8000112.8N43 T47N43-N45 VanDerWaalsContact C-N 3.31Å; N43-N45 PolarHBondContact O-N 3.41Å; N45-T47 PolarHBondContact O-N 2.89Å
46E90.4Very high93.1Very high67 Ų6788 Ų8831%0.31343%0.429SS..  trans-64.7129.4176.2-175.758-134.100110N43 S48 N51 I52N43-E46 PolarHBondContact O-N 3.42Å; E46-S48 VanDerWaalsContact OE1-CB 3.29Å; E46-S48 WeakPolarHBondContact OE1-CB 3.41Å; E46-S48 PolarHBondContact OE1-N 3.23Å; E46-N51 HydrophobicContact CG-CB 3.97Å; E46-N51 PolarHBondContact OE1-ND2 3.06Å; E46-I52 HydrophobicContact CB-CG1 4.43Å; E46-I52 HydrophobicContact CG-CG1 4.09Å
47T88.9Confident93.1Very high132 Ų13294 Ų9481%0.8146%0.455SS*.  trans-107.2-17-177.441.30000113.4N45 E49N45-T47 PolarHBondContact O-N 2.89Å; T47-E49 PolarHBondContact O-N 2.96Å
48S92Very high93.1Very high34 Ų3498.5 Ų98.524%0.23848%0.476CS..  trans-74.6120.9178.2172.40000111.4E46 E50 N51 I52E46-S48 VanDerWaalsContact OE1-CB 3.29Å; E46-S48 WeakPolarHBondContact OE1-CB 3.41Å; E46-S48 PolarHBondContact OE1-N 3.23Å; S48-E50 VanDerWaalsContact C-N 3.27Å; S48-E50 PolarHBondContact O-N 2.89Å; S48-N51 WeakPolarHBondContact CB-ND2 3.43Å; S48-N51 PolarHBondContact O-N 2.76Å; S48-N51 PolarHBondContact OG-N 3.34Å; S48-I52 WeakPolarHBondContact O-CD1 3.32Å; S48-I52 VanDerWaalsContact O-CG1 3.23Å; S48-I52 WeakPolarHBondContact O-CG1 3.17Å; S48-I52 PolarHBondContact O-N 2.87Å
49E89.6Confident93Very high159 Ų15995.3 Ų95.374%0.74346%0.464SS*.Hα-helixtrans-63.7-33.6178.5-64.6-159.8153.400112.7T47 I52 S53T47-E49 PolarHBondContact O-N 2.96Å; E49-I52 PolarHBondContact O-N 2.86Å; E49-S53 WeakPolarHBondContact O-CB 3.38Å; E49-S53 PolarHBondContact O-N 3.15Å
50E91.8Very high93Very high148 Ų14894 Ų9469%0.69246%0.464SS*.Hα-helixtrans-66.2-47.1178.2-69.1154.6-176.200110.8S48 S53 Q54S48-E50 VanDerWaalsContact C-N 3.27Å; S48-E50 PolarHBondContact O-N 2.89Å; E50-S53 WeakPolarHBondContact O-CB 3.21Å; E50-S53 PolarHBondContact O-N 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.3Å; E50-Q54 PolarHBondContact O-N 3.01Å
51N92.7Very high93Very high64 Ų6493.3 Ų93.334%0.34247%0.472SS..Hα-helixtrans-62.5-44.7176.5-70.4-16.2000111.1E46 S48 S53 Q54 M55E46-N51 HydrophobicContact CG-CB 3.97Å; E46-N51 PolarHBondContact OE1-ND2 3.06Å; S48-N51 WeakPolarHBondContact CB-ND2 3.43Å; S48-N51 PolarHBondContact O-N 2.76Å; S48-N51 PolarHBondContact OG-N 3.34Å; N51-S53 VanDerWaalsContact C-N 3.29Å; N51-S53 PolarHBondContact O-N 3.25Å; N51-Q54 PolarHBondContact O-N 3.26Å; N51-M55 WeakPolarHBondContact O-CB 3.37Å; N51-M55 WeakPolarHBondContact O-CG 3.23Å; N51-M55 PolarHBondContact O-N 2.88Å
52I92.1Very high93Very high40 Ų4087.8 Ų87.821%0.20546%0.459CS..Hα-helixtrans-58.7-43.8176.6-67.8164.2000110.4V7 E46 S48 E49 M55 I56V7-I52 HydrophobicContact CG2-CG2 4.3Å; E46-I52 HydrophobicContact CB-CG1 4.43Å; E46-I52 HydrophobicContact CG-CG1 4.09Å; S48-I52 WeakPolarHBondContact O-CD1 3.32Å; S48-I52 VanDerWaalsContact O-CG1 3.23Å; S48-I52 WeakPolarHBondContact O-CG1 3.17Å; S48-I52 PolarHBondContact O-N 2.87Å; E49-I52 PolarHBondContact O-N 2.86Å; I52-M55 PolarHBondContact O-N 3.1Å; I52-I56 HydrophobicContact CG2-CD1 3.79Å; I52-I56 HydrophobicContact CG2-CG1 4.45Å; I52-I56 WeakPolarHBondContact O-CD1 3.48Å; I52-I56 WeakPolarHBondContact O-CG1 3.4Å; I52-I56 PolarHBondContact O-N 3.41Å
53S92.8Very high93Very high55 Ų5583.1 Ų83.139%0.38544%0.439SS..Hα-helixtrans-62.5-44.8178-1740000112.1E49 E50 N51 I56 K57E49-S53 WeakPolarHBondContact O-CB 3.38Å; E49-S53 PolarHBondContact O-N 3.15Å; E50-S53 WeakPolarHBondContact O-CB 3.21Å; E50-S53 PolarHBondContact O-N 3.31Å; N51-S53 VanDerWaalsContact C-N 3.29Å; N51-S53 PolarHBondContact O-N 3.25Å; S53-I56 PolarHBondContact O-N 3.12Å; S53-K57 WeakPolarHBondContact O-CG 3.4Å; S53-K57 PolarHBondContact O-N 3.11Å
54Q93.9Very high93Very high129 Ų12982.9 Ų82.960%0.60344%0.439SS*.Hα-helixtrans-63.1-44.3176.6-71.1-179.94.500111.9E50 N51 I56 K57 M58E50-Q54 WeakPolarHBondContact O-CG 3.3Å; E50-Q54 PolarHBondContact O-N 3.01Å; N51-Q54 PolarHBondContact O-N 3.26Å; Q54-I56 PolarHBondContact O-N 3.49Å; Q54-K57 PolarHBondContact O-N 3.38Å; Q54-M58 WeakPolarHBondContact O-CB 3.4Å; Q54-M58 PolarHBondContact O-N 3.34Å
55M94.3Very high93.2Very high66 Ų6680.4 Ų80.433%0.32543%0.429SS..Hα-helixtrans-62.3-40.3177-74.5-174.3157.300112.7N43 N51 I52 M58 A59N43-M55 HydrophobicContact CB-CE 3.99Å; N43-M55 HydrophobicContact CB-SD 3.71Å; N43-M55 WeakPolarHBondContact OD1-CE 3.39Å; N51-M55 WeakPolarHBondContact O-CB 3.37Å; N51-M55 WeakPolarHBondContact O-CG 3.23Å; N51-M55 PolarHBondContact O-N 2.88Å; I52-M55 PolarHBondContact O-N 3.1Å; M55-M58 PolarHBondContact O-N 3.42Å; M55-A59 VanDerWaalsContact O-CB 3.3Å; M55-A59 WeakPolarHBondContact O-CB 3.22Å; M55-A59 PolarHBondContact O-N 2.87Å
56I94.5Very high93.3Very high31 Ų3175.6 Ų75.616%0.15940%0.403CS..Hα-helixtrans-62.1-45.3174.9-69.9165000110.5K6 V7 V10 I52 S53 Q54 A59 A60K6-I56 HydrophobicContact CB-CD1 4.07Å; V7-I56 HydrophobicContact CG2-CD1 3.64Å; V7-I56 HydrophobicContact CG2-CG1 3.8Å; V10-I56 HydrophobicContact CG2-CG2 4.09Å; I52-I56 HydrophobicContact CG2-CD1 3.79Å; I52-I56 HydrophobicContact CG2-CG1 4.45Å; I52-I56 WeakPolarHBondContact O-CD1 3.48Å; I52-I56 WeakPolarHBondContact O-CG1 3.4Å; I52-I56 PolarHBondContact O-N 3.41Å; S53-I56 PolarHBondContact O-N 3.12Å; Q54-I56 PolarHBondContact O-N 3.49Å; I56-A59 PolarHBondContact O-N 2.95Å; I56-A60 WeakPolarHBondContact O-CB 3.41Å; I56-A60 PolarHBondContact O-N 3.24Å
57K95.7Very high93.3Very high151 Ų15176.8 Ų76.866%0.65740%0.404SS*.Hα-helixtrans-62.1-44.8177.8-72.2175.6-177.3-179.40111.4S53 Q54 A60 G61S53-K57 WeakPolarHBondContact O-CG 3.4Å; S53-K57 PolarHBondContact O-N 3.11Å; Q54-K57 PolarHBondContact O-N 3.38Å; K57-A60 PolarHBondContact O-N 3.11Å; K57-G61 PolarHBondContact O-N 3.36Å
58M95.4Very high93.4Very high128 Ų12875.9 Ų75.963%0.63139%0.391SS*.Hα-helixtrans-60.3-49.5176.7-175-17674.600111.1Q54 M55 A60 G61 V62Q54-M58 WeakPolarHBondContact O-CB 3.4Å; Q54-M58 PolarHBondContact O-N 3.34Å; M55-M58 PolarHBondContact O-N 3.42Å; M58-A60 VanDerWaalsContact C-N 3.31Å; M58-A60 PolarHBondContact O-N 2.89Å; M58-G61 PolarHBondContact O-N 2.92Å; M58-G61 VanDerWaalsContact O-N 3.11Å; M58-V62 WeakPolarHBondContact O-CG2 3.37Å; M58-V62 PolarHBondContact O-N 3.04Å
59A95Very high93.3Very high13 Ų1379.2 Ų79.211%0.10741%0.406CS..Hα-helixtrans-63.7-36.3-179.800000112.3V10 L14 F40 M55 I56 E63V10-A59 HydrophobicContact CG1-CB 3.48Å; V10-A59 VanDerWaalsContact CG1-CB 3.48Å; L14-A59 HydrophobicContact CD1-CB 4.21Å; F40-A59 HydrophobicContact CZ-CB 4.38Å; M55-A59 VanDerWaalsContact O-CB 3.3Å; M55-A59 WeakPolarHBondContact O-CB 3.22Å; M55-A59 PolarHBondContact O-N 2.87Å; I56-A59 PolarHBondContact O-N 2.95Å; A59-E63 WeakPolarHBondContact O-CB 3.48Å; A59-E63 PolarHBondContact O-N 2.56Å
60A95.5Very high93.3Very high37 Ų3773.6 Ų73.631%0.30638%0.383SS..Hα-helixtrans-68-37.2172.400000112.4V10 I56 K57 M58 E63 V64V10-A60 HydrophobicContact CG2-CB 4.35Å; I56-A60 WeakPolarHBondContact O-CB 3.41Å; I56-A60 PolarHBondContact O-N 3.24Å; K57-A60 PolarHBondContact O-N 3.11Å; M58-A60 VanDerWaalsContact C-N 3.31Å; M58-A60 PolarHBondContact O-N 2.89Å; A60-E63 WeakPolarHBondContact O-CB 3.34Å; A60-E63 PolarHBondContact O-N 2.73Å; A60-V64 WeakPolarHBondContact O-CG2 3.34Å; A60-V64 PolarHBondContact O-N 3.39Å; A60-V64 VanDerWaalsContact O-N 3.15Å
61G95.7Very high93.3Very high40 Ų4069.7 Ų69.741%0.41237%0.369SS..Hα-helixtrans-63.5-45173.700000112.3K57 M58 E63 V64 F65K57-G61 PolarHBondContact O-N 3.36Å; M58-G61 PolarHBondContact O-N 2.92Å; M58-G61 VanDerWaalsContact O-N 3.11Å; G61-E63 VanDerWaalsContact C-N 3.27Å; G61-E63 PolarHBondContact O-N 3.12Å; G61-V64 PolarHBondContact O-N 2.88Å; G61-F65 WeakPolarHBondContact O-CB 3.24Å; G61-F65 PolarHBondContact O-N 3.31Å
62V95.3Very high93.2Very high68 Ų6868.2 Ų68.241%0.41236%0.36SS..Hα-helixtrans-60.8-39175.2172.80000111.2L14 M58 V64 F65 L66L14-V62 HydrophobicContact CD2-CG1 4.22Å; M58-V62 WeakPolarHBondContact O-CG2 3.37Å; M58-V62 PolarHBondContact O-N 3.04Å; V62-V64 PolarHBondContact O-N 3.21Å; V62-F65 PolarHBondContact O-N 3.23Å; V62-L66 HydrophobicContact CG1-CD1 4.06Å; V62-L66 HydrophobicContact CG1-CG 4.23Å; V62-L66 VanDerWaalsContact O-CB 3.28Å; V62-L66 WeakPolarHBondContact O-CB 3.38Å; V62-L66 VanDerWaalsContact O-CG 3.24Å; V62-L66 WeakPolarHBondContact O-CG 3.46Å; V62-L66 PolarHBondContact O-N 2.7Å
63E94.4Very high93.1Very high19 Ų1969.3 Ų69.39%0.08938%0.375CS..Hα-helixtrans-59.4-44.3176.4-167.6-73.314100112.1A13 L14 T17 A59 A60 G61 R67A13-E63 HydrophobicContact CB-CG 3.88Å; L14-E63 HydrophobicContact CD2-CB 3.82Å; L14-E63 HydrophobicContact CD2-CG 4.23Å; L14-E63 HydrophobicContact CG-CB 4.24Å; L14-E63 HydrophobicContact CG-CG 4.37Å; T17-E63 PolarHBondContact OG1-OE1 2.85Å; A59-E63 WeakPolarHBondContact O-CB 3.48Å; A59-E63 PolarHBondContact O-N 2.56Å; A60-E63 WeakPolarHBondContact O-CB 3.34Å; A60-E63 PolarHBondContact O-N 2.73Å; G61-E63 VanDerWaalsContact C-N 3.27Å; G61-E63 PolarHBondContact O-N 3.12Å; E63-R67 VanDerWaalsContact CD-NH1 3.35Å; E63-R67 PolarHBondContact O-N 2.7Å; E63-R67 IonicContact OE1-CZ 2.76Å; E63-R67 IonicContact OE1-NH1 2.7Å; E63-R67 PolarHBondContact OE1-NH1 3.15Å; E63-R67 VanDerWaalsContact OE1-NH1 3.12Å; E63-R67 IonicContact OE1-NH2 3.6Å; E63-R67 PolarHBondContact OE1-NH2 2.94Å; E63-R67 IonicContact OE2-CZ 3.03Å; E63-R67 IonicContact OE2-NH1 3.58Å; E63-R67 PolarHBondContact OE2-NH1 3.2Å; E63-R67 IonicContact OE2-NH2 2.56Å
64V93.4Very high93Very high57 Ų5770.7 Ų70.735%0.34538%0.375SS..Hα-helixtrans-69.1-45.9177173.90000111.5A60 G61 V62 L66 R67 Q68A60-V64 WeakPolarHBondContact O-CG2 3.34Å; A60-V64 PolarHBondContact O-N 3.39Å; A60-V64 VanDerWaalsContact O-N 3.15Å; G61-V64 PolarHBondContact O-N 2.88Å; V62-V64 PolarHBondContact O-N 3.21Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3.25Å; V64-R67 WeakPolarHBondContact O-CA 3.41Å; V64-R67 WeakPolarHBondContact O-CB 3.44Å; V64-R67 PolarHBondContact O-N 2.92Å; V64-Q68 HydrophobicContact CG1-CG 4.27Å; V64-Q68 VanDerWaalsContact CG1-OE1 3.24Å; V64-Q68 PolarHBondContact O-N 2.71Å
65F93.9Very high92.9Very high112 Ų11270.6 Ų70.649%0.49137%0.374SS..Hα-helixtrans-55.2-48.3176.1175.2-95.9000111.4G61 V62 R67 Q68 D69 V70G61-F65 WeakPolarHBondContact O-CB 3.24Å; G61-F65 PolarHBondContact O-N 3.31Å; V62-F65 PolarHBondContact O-N 3.23Å; F65-R67 PolarHBondContact O-N 2.76Å; F65-Q68 PolarHBondContact O-N 3.15Å; F65-D69 HydrophobicContact CD2-CB 3.99Å; F65-D69 WeakPolarHBondContact CD2-OD2 3.48Å; F65-D69 HydrophobicContact CE2-CB 3.8Å; F65-D69 HydrophobicContact CZ-CB 4.25Å; F65-D69 PolarHBondContact O-N 3.22Å; F65-V70 HydrophobicContact CE1-CG2 4.09Å
66L92.6Very high92.8Very high38 Ų3871.7 Ų71.720%0.19939%0.385CS..Hα-helixtrans-60.5-28.3175.7-78.2-177.7000112.6L14 T17 L21 V62 V64 V70 R86L14-L66 HydrophobicContact CD2-CD1 4.23Å; T17-L66 HydrophobicContact CG2-CB 3.95Å; L21-L66 HydrophobicContact CD1-CB 3.65Å; L21-L66 HydrophobicContact CD1-CD1 4.27Å; L21-L66 HydrophobicContact CD1-CD2 3.76Å; L21-L66 HydrophobicContact CD1-CG 4.08Å; L21-L66 WeakPolarHBondContact CD1-O 3.28Å; L21-L66 WeakPolarHBondContact CD2-O 3.39Å; V62-L66 HydrophobicContact CG1-CD1 4.06Å; V62-L66 HydrophobicContact CG1-CG 4.23Å; V62-L66 VanDerWaalsContact O-CB 3.28Å; V62-L66 WeakPolarHBondContact O-CB 3.38Å; V62-L66 VanDerWaalsContact O-CG 3.24Å; V62-L66 WeakPolarHBondContact O-CG 3.46Å; V62-L66 PolarHBondContact O-N 2.7Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3.25Å; L66-V70 HydrophobicContact CD2-CG2 4.13Å; L66-R86 PolarHBondContact O-NH1 2.92Å; L66-R86 PolarHBondContact O-NH2 3.12Å
67R90.4Very high92.7Very high91 Ų9172.3 Ų72.334%0.34340%0.395SS..Hα-helixtrans-81.7-35.3177.7-172-174.2-73.5115-4.3112.9T17 E63 V64 F65 R86T17-R67 HydrophobicContact CG2-CB 4.39Å; E63-R67 VanDerWaalsContact CD-NH1 3.35Å; E63-R67 PolarHBondContact O-N 2.7Å; E63-R67 IonicContact OE1-CZ 2.76Å; E63-R67 IonicContact OE1-NH1 2.7Å; E63-R67 PolarHBondContact OE1-NH1 3.15Å; E63-R67 VanDerWaalsContact OE1-NH1 3.12Å; E63-R67 IonicContact OE1-NH2 3.6Å; E63-R67 PolarHBondContact OE1-NH2 2.94Å; E63-R67 IonicContact OE2-CZ 3.03Å; E63-R67 IonicContact OE2-NH1 3.58Å; E63-R67 PolarHBondContact OE2-NH1 3.2Å; E63-R67 IonicContact OE2-NH2 2.56Å; V64-R67 WeakPolarHBondContact O-CA 3.41Å; V64-R67 WeakPolarHBondContact O-CB 3.44Å; V64-R67 PolarHBondContact O-N 2.92Å; F65-R67 PolarHBondContact O-N 2.76Å; R67-R86 VanDerWaalsContact C-NH2 3.31Å; R67-R86 PolarHBondContact O-NE 3.26Å; R67-R86 PolarHBondContact O-NH2 2.93Å
68Q90.3Very high92.3Very high114 Ų11473.5 Ų73.553%0.53340%0.403SS..Hα-helixtrans-94.7-42.5-170.4-69.4-177.6-3600113.1V64 F65 L89V64-Q68 HydrophobicContact CG1-CG 4.27Å; V64-Q68 VanDerWaalsContact CG1-OE1 3.24Å; V64-Q68 PolarHBondContact O-N 2.71Å; F65-Q68 PolarHBondContact O-N 3.15Å; Q68-L89 VanDerWaalsContact O-CD2 3.31Å; Q68-L89 WeakPolarHBondContact O-CD2 3.35Å
69D89.9Confident92.2Very high104 Ų10475 Ų7556%0.55641%0.413SS*.THydrogen-bonded Turntrans-107.4-8-161.8-56.9-52.1000113.7F65F65-D69 HydrophobicContact CD2-CB 3.99Å; F65-D69 WeakPolarHBondContact CD2-OD2 3.48Å; F65-D69 HydrophobicContact CE2-CB 3.8Å; F65-D69 HydrophobicContact CZ-CB 4.25Å; F65-D69 PolarHBondContact O-N 3.22Å
70V90.9Very high92.1Very high40 Ų4083.2 Ų83.224%0.24244%0.441CS..  trans-109.5128.8-176.5-178.10000110.9L21 F65 L66 R86L21-V70 HydrophobicContact CD2-CB 3.97Å; L21-V70 HydrophobicContact CD2-CG1 3.85Å; F65-V70 HydrophobicContact CE1-CG2 4.09Å; L66-V70 HydrophobicContact CD2-CG2 4.13Å; V70-R86 PolarHBondContact O-NH2 3.06Å
71V90.8Very high92Very high67 Ų6786.8 Ų86.841%0.40645%0.454SS..  trans-127.5138.8175.7178.30000109.3P85 L89V71-P85 HydrophobicContact CG1-CB 4.22Å; V71-L89 HydrophobicContact CG2-CD1 3.94Å
72Q90.4Very high91.8Very high33 Ų3389.5 Ų89.515%0.15446%0.456CS..EExtended strand (participates in β ladder)trans-80.8134.3177-175.7178.20.100110.1L21 K23 R84L21-Q72 PolarHBondContact O-OE1 3.43Å; K23-Q72 PolarHBondContact O-NE2 3.39Å; K23-Q72 VanDerWaalsContact O-NE2 3.15Å; K23-Q72 PolarHBondContact O-OE1 2.92Å; Q72-R84 HydrophobicContact CB-CB 4.35Å; Q72-R84 PolarHBondContact O-N 2.9Å
73A90.8Very high91.7Very high62 Ų6291.4 Ų91.451%0.51246%0.463SS..EExtended strand (participates in β ladder)trans-125.4130.2176.200000108.8I81 Q82 L83A73-I81 HydrophobicContact CB-CG2 3.77Å; A73-Q82 WeakPolarHBondContact CA-O 3.08Å; A73-L83 HydrophobicContact CB-CD2 3.56Å
74E90.4Very high91.4Very high84 Ų8494 Ų9439%0.39347%0.472SS..EExtended strand (participates in β ladder)trans-117.7131.3178-177.6173.7-163.100109.6V76 I81 Q82 R84E74-V76 HydrophobicContact CG-CG2 4.41Å; E74-V76 PolarHBondContact O-N 3.21Å; E74-I81 CarbonylContact O-C 3.52Å; E74-I81 WeakPolarHBondContact O-CA 3.28Å; E74-Q82 PolarHBondContact N-O 2.91Å; E74-Q82 PolarHBondContact O-N 3.23Å; E74-R84 IonicContact OE2-CZ 3.12Å; E74-R84 IonicContact OE2-NE 3.52Å; E74-R84 IonicContact OE2-NH2 3.41Å; E74-R84 PolarHBondContact OE2-NH2 3.1Å
75H91.6Very high91.1Very high127 Ų12794.2 Ų94.259%0.58848%0.475SS*.EExtended strand (participates in β ladder)trans-82.7113.4176-166.6-97.9000109.2A77H75-A77 PolarHBondContact CE1-O 3.48Å; H75-A77 PolarHBondContact NE2-O 2.94Å; H75-A77 VanDerWaalsContact NE2-O 3.12Å
76V92.1Very high90.8Very high89 Ų8990.7 Ų90.754%0.53946%0.458SS..EExtended strand (participates in β ladder)trans-102.6-32-173.6-176.30000111.6E74 R80 Q82E74-V76 HydrophobicContact CG-CG2 4.41Å; E74-V76 PolarHBondContact O-N 3.21Å; V76-R80 PolarHBondContact N-O 2.91Å; V76-Q82 HydrophobicContact CG2-CB 3.61Å
77A92.7Very high90.3Very high45 Ų4597.1 Ų97.137%0.37249%0.488SS..EExtended strand (participates in β ladder)trans-152171.3174.900000110.1H75 D79 R80H75-A77 PolarHBondContact CE1-O 3.48Å; H75-A77 PolarHBondContact NE2-O 2.94Å; H75-A77 VanDerWaalsContact NE2-O 3.12Å; A77-D79 PolarHBondContact O-N 2.87Å; A77-R80 HydrophobicContact CB-CB 4.04Å; A77-R80 HydrophobicContact CB-CG 4.33Å; A77-R80 PolarHBondContact N-O 3.47Å; A77-R80 PolarHBondContact O-N 2.83Å
78E87.9Confident89.9Confident176 Ų17697.1 Ų97.182%0.82250%0.502SS*.THydrogen-bonded Turntrans-48.5-38-173.4-157162-164.700114.3
79D92.3Very high89.6Confident159 Ų15994.5 Ų94.585%0.8549%0.491SS*.THydrogen-bonded Turntrans-120.823.7176.5-63-46.7000113.2A77A77-D79 PolarHBondContact O-N 2.87Å
80R92.7Very high89.4Confident185 Ų18594.6 Ų94.670%0.69849%0.491SS*.EExtended strand (participates in β ladder)trans-133.2121.8-175.7-61.1-174.1179-175.70.3112.8V76 A77V76-R80 PolarHBondContact N-O 2.91Å; A77-R80 HydrophobicContact CB-CB 4.04Å; A77-R80 HydrophobicContact CB-CG 4.33Å; A77-R80 PolarHBondContact N-O 3.47Å; A77-R80 PolarHBondContact O-N 2.83Å
81I94.1Very high89.1Confident113 Ų113100.4 Ų100.458%0.57952%0.52SS*.EExtended strand (participates in β ladder)trans-114.8126.4173.8-57.2175.6000108.4A73 E74 L83A73-I81 HydrophobicContact CB-CG2 3.77Å; E74-I81 CarbonylContact O-C 3.52Å; E74-I81 WeakPolarHBondContact O-CA 3.28Å; I81-L83 HydrophobicContact CG2-CD2 4.19Å
82Q91.8Very high88.8Confident96 Ų96105.3 Ų105.345%0.44954%0.538SS..EExtended strand (participates in β ladder)trans-91.6115.6170.8-177.8175.5-3.800109.3A73 E74 V76A73-Q82 WeakPolarHBondContact CA-O 3.08Å; E74-Q82 PolarHBondContact N-O 2.91Å; E74-Q82 PolarHBondContact O-N 3.23Å; V76-Q82 HydrophobicContact CG2-CB 3.61Å
83L91.5Very high88.4Confident109 Ų109111.7 Ų111.757%0.57157%0.573SS**EExtended strand (participates in β ladder)trans-84.9139.6171-60.4180000109.9A73 I81 P85A73-L83 HydrophobicContact CB-CD2 3.56Å; I81-L83 HydrophobicContact CG2-CD2 4.19Å; L83-P85 VanDerWaalsContact O-CD 3.28Å; L83-P85 WeakPolarHBondContact O-CD 3.39Å
84R89.1Confident87.9Confident73 Ų73114.3 Ų114.328%0.27558%0.582SS.*EExtended strand (participates in β ladder)trans-117.672.1173.7-59.8-176.9-174.9-158.40.2109.4E24 Q72 E74E24-R84 IonicContact OE2-CZ 2.85Å; E24-R84 IonicContact OE2-NH1 2.71Å; E24-R84 PolarHBondContact OE2-NH1 3.17Å; E24-R84 IonicContact OE2-NH2 3.58Å; Q72-R84 HydrophobicContact CB-CB 4.35Å; Q72-R84 PolarHBondContact O-N 2.9Å; E74-R84 IonicContact OE2-CZ 3.12Å; E74-R84 IonicContact OE2-NE 3.52Å; E74-R84 IonicContact OE2-NH2 3.41Å; E74-R84 PolarHBondContact OE2-NH2 3.1Å
85P87.6Confident87.6Confident62 Ų62114.9 Ų114.940%0.40359%0.593SS.*  trans-68.8151174.730.2-34.1000110.7V71 L83 L90V71-P85 HydrophobicContact CG1-CB 4.22Å; L83-P85 VanDerWaalsContact O-CD 3.28Å; L83-P85 WeakPolarHBondContact O-CD 3.39Å; P85-L90 HydrophobicContact CB-CD2 4.09Å; P85-L90 HydrophobicContact CG-CD2 3.94Å
86R86.4Confident86.9Confident37 Ų37118.1 Ų118.114%0.1460%0.602CS.*  trans-80.3146.8172.7-75.4174.5-74.3-144.3-10110.3L66 R67 V70 S88 L89L66-R86 PolarHBondContact O-NH1 2.92Å; L66-R86 PolarHBondContact O-NH2 3.12Å; R67-R86 VanDerWaalsContact C-NH2 3.31Å; R67-R86 PolarHBondContact O-NE 3.26Å; R67-R86 PolarHBondContact O-NH2 2.93Å; V70-R86 PolarHBondContact O-NH2 3.06Å; R86-S88 PolarHBondContact O-N 3.01Å; R86-L89 HydrophobicContact CB-CD1 4.4Å; R86-L89 HydrophobicContact CB-CG 4.38Å; R86-L89 WeakPolarHBondContact O-CB 3.47Å; R86-L89 PolarHBondContact O-N 2.96Å
87E83.1Confident86.2Confident174 Ų174116.8 Ų116.881%0.81360%0.596SS**G310 helixtrans-54.7-37.1178.5-65.9176.8-177.900112.5L89 L90E87-L89 PolarHBondContact O-N 2.78Å; E87-L89 VanDerWaalsContact O-N 3.1Å; E87-L90 WeakPolarHBondContact O-CB 3.31Å; E87-L90 PolarHBondContact O-N 3.45Å
88S81.8Confident85.5Confident91 Ų91121.1 Ų121.164%0.63661%0.613SS**G310 helixtrans-63.4-15.6177.462.60000114.6R86R86-S88 PolarHBondContact O-N 3.01Å
89L83.6Confident85.2Confident59 Ų59117.4 Ų117.431%0.30960%0.602SS.*G310 helixtrans-96.5-12.5176.9-57.8177000112.3Q68 V71 R86 E87Q68-L89 VanDerWaalsContact O-CD2 3.31Å; Q68-L89 WeakPolarHBondContact O-CD2 3.35Å; V71-L89 HydrophobicContact CG2-CD1 3.94Å; R86-L89 HydrophobicContact CB-CD1 4.4Å; R86-L89 HydrophobicContact CB-CG 4.38Å; R86-L89 WeakPolarHBondContact O-CB 3.47Å; R86-L89 PolarHBondContact O-N 2.96Å; E87-L89 PolarHBondContact O-N 2.78Å; E87-L89 VanDerWaalsContact O-N 3.1Å
90L85.9Confident84.1Confident106 Ų106115.8 Ų115.856%0.55560%0.6SS**PPolyproline II helixtrans-79.5134.5-179.3-57.9-179.3000109.5P85 E87P85-L90 HydrophobicContact CB-CD2 4.09Å; P85-L90 HydrophobicContact CG-CD2 3.94Å; E87-L90 WeakPolarHBondContact O-CB 3.31Å; E87-L90 PolarHBondContact O-N 3.45Å
91L84.4Confident82.8Confident162 Ų162116 Ų11685%0.84860%0.601SS**PPolyproline II helixtrans-92.5157174.6-62.8174.8000110N93L91-N93 PolarHBondContact O-N 3.36Å
92E84.4Confident81.2Confident169 Ų169120 Ų12079%0.7962%0.615SS**PPolyproline II helixtrans-59131.9168.6-73.4-177.818000109.7V94E92-V94 PolarHBondContact O-N 3.2Å
93N81.6Confident79.4Confident167 Ų167127.4 Ų127.489%0.89364%0.638SS**PPolyproline II helixtrans-60.3124.4176.4-76.1-42.9000109.4L91L91-N93 PolarHBondContact O-N 3.36Å
94V80.9Confident77.6Confident117 Ų117125.9 Ų125.971%0.70964%0.636SS**  trans-114.7140.5170.1-69.50000108.1E92 Y96E92-V94 PolarHBondContact O-N 3.2Å; V94-Y96 PolarHBondContact O-N 3.32Å
95P83.4Confident75.7Confident96 Ų96128.8 Ų128.862%0.62367%0.668SS**  trans-51.8134174.3-24.933.3000110.3
96Y77.4Confident73.8Confident196 Ų196129.2 Ų129.277%0.76967%0.673SS**  trans-64138.3173.9179.7-105.2000109.4V94 D98V94-Y96 PolarHBondContact O-N 3.32Å; Y96-D98 WeakPolarHBondContact CE1-OD1 3.21Å
97C78.1Confident72.1Confident61 Ų61135.7 Ų135.741%0.41271%0.71SS.*  trans-132.3118.7179.9-171.80000108.7T99C97-T99 PolarHBondContact O-N 2.97Å; C97-T99 PolarHBondContact SG-OG1 2.87Å
98D78.3Confident70.6Confident136 Ų136134.8 Ų134.873%0.72771%0.711SS**SBendtrans-63.2-27.5178.5-67.5-60.5000112.4Y96Y96-D98 WeakPolarHBondContact CE1-OD1 3.21Å
99T80Confident68.9Low98 Ų98132.8 Ų132.860%0.60170%0.7SS**SBendtrans-84.9129.4179.762.20000111C97 R101C97-T99 PolarHBondContact O-N 2.97Å; C97-T99 PolarHBondContact SG-OG1 2.87Å; T99-R101 PolarHBondContact O-N 3.36Å
100P70.3Confident67.1Low124 Ų124135.6 Ų135.681%0.80572%0.722SS**PPolyproline II helixtrans-59.4123.5177.4-1726.3000110.5K102P100-K102 PolarHBondContact O-N 2.86Å; P100-K102 VanDerWaalsContact O-N 3.15Å
101R64.4Low65.5Low189 Ų189139.1 Ų139.171%0.71373%0.732SS**PPolyproline II helixtrans-64.4117.9175.5-163.7172.2-176.2-178-0.4109T99 R103T99-R101 PolarHBondContact O-N 3.36Å; R101-R103 PolarHBondContact O-N 3.01Å; R101-R103 VanDerWaalsContact O-N 3.08Å
102K62Low63.9Low199 Ų199139.4 Ų139.487%0.86573%0.729SS**  trans-62.2113.3169.8-68-175.4-177.9-179.40107.5P100 S104P100-K102 PolarHBondContact O-N 2.86Å; P100-K102 VanDerWaalsContact O-N 3.15Å; K102-S104 PolarHBondContact O-N 3.31Å
103R53Low62.1Low251 Ų251135.4 Ų135.495%0.94772%0.72SS**  trans-63.4103.8174.7-77.7-172.2-178.9-159.31.2108.4R101R101-R103 PolarHBondContact O-N 3.01Å; R101-R103 VanDerWaalsContact O-N 3.08Å
104S54.5Low60.6Low76 Ų76130.6 Ų130.653%0.53170%0.699SS.*  trans-74.2124.1167.754.80000108.8K102 S106K102-S104 PolarHBondContact O-N 3.31Å; S104-S106 PolarHBondContact O-N 3.18Å
105S48.6Very low59.2Low134 Ų134131.9 Ų131.994%0.93770%0.701SS**SBendtrans-71.821.5-176.436.20000115.2
106S47.6Very low57.5Low72 Ų72133.9 Ų133.950%0.50371%0.707SS.*SBendtrans-132.7130179.661.20000111.9S104 N108S104-S106 PolarHBondContact O-N 3.18Å; S106-N108 PolarHBondContact O-N 3.08Å
107N50.4Low56.1Low172 Ų172128.5 Ų128.592%0.9270%0.703SS**THydrogen-bonded Turntrans-70.45.8-174.2-71.3-22.2000114.9
108N52Low54.6Low156 Ų156130.8 Ų130.883%0.83472%0.717SS**THydrogen-bonded Turntrans-129.128.8-177.1-72.8-9.4000113.3S106S106-N108 PolarHBondContact O-N 3.08Å
109A46.3Very low53.2Low48 Ų48132.5 Ų132.540%0.39772%0.724SS.*  trans-76.5133.2172.100000110.5K111A109-K111 PolarHBondContact O-N 3.04Å
110P45.9Very low51.3Low119 Ų119133.6 Ų133.677%0.77373%0.731SS**  trans-56.813517521.7-29.9000109.4Q112P110-Q112 PolarHBondContact O-N 3.15Å
111K51.6Low49.6Very low180 Ų180139.2 Ų139.278%0.78374%0.737SS**  trans-53.9107.4174.6-67.8-179.3-178.5-178.20106.6A109 S113A109-K111 PolarHBondContact O-N 3.04Å; K111-S113 PolarHBondContact O-N 3.2Å
112Q50.9Low48.1Very low168 Ų168136.2 Ų136.279%0.78574%0.743SS**  trans-62.5104.4178.2-159.4156.813.800106.4P110 C114P110-Q112 PolarHBondContact O-N 3.15Å; Q112-C114 PolarHBondContact O-N 2.96Å
113S46.4Very low46.8Very low84 Ų84139.5 Ų139.559%0.58776%0.761SS**  trans-58.8115.6173.7172.80000106.9K111 N115K111-S113 PolarHBondContact O-N 3.2Å; S113-N115 VanDerWaalsContact C-N 3.28Å; S113-N115 PolarHBondContact O-N 2.96Å; S113-N115 PolarHBondContact OG-OD1 3.02Å
114C50.8Low46.5Very low67 Ų67134 Ų13445%0.45375%0.752SS.*  trans-64.2100.1162.3-65.30000105.3Q112 D116Q112-C114 PolarHBondContact O-N 2.96Å; C114-D116 PolarHBondContact O-N 3.3Å
115N51.8Low46Very low143 Ų143137 Ų13777%0.76576%0.764SS**  trans-70.9102.8169.8-67.4-16000105.7S113 A117S113-N115 VanDerWaalsContact C-N 3.28Å; S113-N115 PolarHBondContact O-N 2.96Å; S113-N115 PolarHBondContact OG-OD1 3.02Å; N115-A117 PolarHBondContact O-N 3.15Å; N115-A117 VanDerWaalsContact O-N 3.13Å
116D47.2Very low45.9Very low139 Ų139137.2 Ų137.274%0.74375%0.754SS**  trans-58.5111-177.2-63-47000110.3C114C114-D116 PolarHBondContact O-N 3.3Å
117A48Very low45.8Very low82 Ų82141 Ų14168%0.67877%0.769SS**  trans-73.9136.1151.300000106.9N115 I119N115-A117 PolarHBondContact O-N 3.15Å; N115-A117 VanDerWaalsContact O-N 3.13Å; A117-I119 PolarHBondContact O-N 3.13Å
118P46.9Very low45.5Very low110 Ų110139.1 Ų139.171%0.71476%0.759SS**  trans-59.7131.7-174.122.6-31.4000110.4T120P118-T120 PolarHBondContact O-N 3.34Å
119I49.6Very low45.1Very low171 Ų171137.9 Ų137.988%0.87775%0.754SS**  trans-62.495.6175.4-57.8169.2000107.5A117 R121A117-I119 PolarHBondContact O-N 3.13Å; I119-R121 PolarHBondContact O-N 3.32Å
120T39.2Very low45Very low122 Ų122144.4 Ų144.475%0.74878%0.78SS**PPolyproline II helixtrans-72.4116.9168.236.90000108.5P118 C122P118-T120 PolarHBondContact O-N 3.34Å; T120-C122 PolarHBondContact O-N 2.87Å
121R34.1Very low44.9Very low242 Ų242146.3 Ų146.391%0.91378%0.781SS**PPolyproline II helixtrans-56.4121.1168.1-125.4178.6-1671723.1108.2I119I119-R121 PolarHBondContact O-N 3.32Å
122C33.7Very low44.4Very low125 Ų125143.5 Ų143.585%0.84578%0.78SS**PPolyproline II helixtrans-72.9126166.2-61.50000108.4T120T120-C122 PolarHBondContact O-N 2.87Å
123E33.8Very low43.8Very low269 Ų269141.3 Ų141.3100%1.25778%0.78SS**  trans-67.70165.8-67-175.9153.200111.6

Retrieved 123 of 123 residues in 28.6 ms (Link to these results)