A0A077ZLP4_TRITR Loading...

Reprolysin and ADAM CR and EGF 2 domain containin g protein

AlphaFold DB , UniProt , Accession A0A077ZLP4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 473 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
1M51.7Low74.1Confident202 Ų20259 Ų59100%0.99531%0.308SS*.  0-60.80-142.2174.673.700110E3 A4 E5M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 2.96Å; M1-A4 PolarHBondContact O-N 3.36Å; M1-E5 PolarHBondContact O-N 3.16Å
2I57.6Low75.6Confident57 Ų5754.1 Ų54.129%0.29228%0.283SS..G310 helixtrans-54.1-38.4177.2-64.8166.1000112.7A4 E5 K7 M199 N200I2-A4 VanDerWaalsContact C-N 3.29Å; I2-A4 PolarHBondContact O-N 3.26Å; I2-E5 PolarHBondContact O-N 2.99Å; I2-K7 VanDerWaalsContact O-CE 3.25Å; I2-K7 WeakPolarHBondContact O-CE 3.06Å; I2-K7 PolarHBondContact O-NZ 2.85Å; I2-M199 HydrophobicContact CG2-CB 4.05Å; I2-M199 HydrophobicContact CG2-CE 4.03Å; I2-N200 VanDerWaalsContact CD1-OD1 3.28Å; I2-N200 WeakPolarHBondContact CD1-OD1 3.37Å
3E62.5Low77.1Confident127 Ų12750.2 Ų50.259%0.59326%0.262SS*.G310 helixtrans-57.6-36.8177.5-77172.8-14700114M1 N49 L196M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 2.96Å; E3-N49 PolarHBondContact O-ND2 2.85Å; E3-L196 HydrophobicContact CG-CD1 3.82Å; E3-L196 HydrophobicContact CG-CD2 3.52Å; E3-L196 HydrophobicContact CG-CG 4.32Å; E3-L196 WeakPolarHBondContact OE1-CD1 3.32Å
4A62.2Low78.4Confident78 Ų7846.8 Ų46.865%0.64524%0.244SC*.G310 helixtrans-90.3-14-175.500000113.7M1 I2M1-A4 PolarHBondContact O-N 3.36Å; I2-A4 VanDerWaalsContact C-N 3.29Å; I2-A4 PolarHBondContact O-N 3.26Å
5E67.4Low79.6Confident90 Ų9043.8 Ų43.842%0.42123%0.229SC..SBendtrans-75.7136.4179.5-168.4171-173.600110.3M1 I2 K7 F208M1-E5 PolarHBondContact O-N 3.16Å; I2-E5 PolarHBondContact O-N 2.99Å; E5-K7 VanDerWaalsContact O-CD 3.27Å; E5-K7 WeakPolarHBondContact O-CD 3.37Å; E5-K7 WeakPolarHBondContact O-CE 3.14Å; E5-K7 PolarHBondContact O-NZ 3.02Å; E5-F208 HydrophobicContact CG-CE1 4.33Å
6M73Confident80.6Confident60 Ų6041.2 Ų41.230%0.29622%0.215SC..  trans-75.5136.4174.7-73.8-58.9-60.100110.5N49 R51M6-N49 WeakPolarHBondContact CA-O 3.43Å; M6-N49 VanDerWaalsContact SD-CA 3.54Å; M6-N49 HydrophobicContact SD-CB 3.62Å; M6-R51 HydrophobicContact CE-CG 3.4Å
7K81.3Confident81.3Confident1 Ų143.2 Ų43.20%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-117.6157.3174.7-53.791.2-178.2168.50109.9I2 E5 N49 V50 R51 M199 M207 F208I2-K7 VanDerWaalsContact O-CE 3.25Å; I2-K7 WeakPolarHBondContact O-CE 3.06Å; I2-K7 PolarHBondContact O-NZ 2.85Å; E5-K7 VanDerWaalsContact O-CD 3.27Å; E5-K7 WeakPolarHBondContact O-CD 3.37Å; E5-K7 WeakPolarHBondContact O-CE 3.14Å; E5-K7 PolarHBondContact O-NZ 3.02Å; K7-N49 WeakPolarHBondContact CD-O 3.42Å; K7-N49 PolarHBondContact N-O 3.16Å; K7-V50 HydrophobicContact CB-CG2 4.35Å; K7-V50 HydrophobicContact CD-CG2 4.31Å; K7-V50 CarbonylContact O-C 3.59Å; K7-V50 WeakPolarHBondContact O-CA 3.27Å; K7-R51 PolarHBondContact O-N 3.36Å; K7-M199 HydrophobicContact CD-CE 4.26Å; K7-M199 HydrophobicContact CG-CE 3.89Å; K7-M207 CarbonylContact C-O 3.23Å; K7-M207 WeakPolarHBondContact CA-O 3.23Å; K7-M207 HydrophobicContact CB-CB 4.04Å; K7-M207 HydrophobicContact CB-CE 4.05Å; K7-M207 WeakPolarHBondContact CB-O 3.19Å; K7-F208 HydrophobicContact CG-CE1 4.21Å
8Y84.9Confident81.9Confident16 Ų1644.4 Ų44.46%0.06323%0.229CC..EExtended strand (participates in β ladder)trans-121.7137.1-178.8-57.1-86.3000109R51 M207 M210 I222Y8-R51 CarbonylContact C-O 3.54Å; Y8-R51 WeakPolarHBondContact CA-O 3.42Å; Y8-R51 HydrophobicContact CD1-CB 3.88Å; Y8-R51 HydrophobicContact CD1-CG 4.28Å; Y8-R51 HydrophobicContact CE1-CB 4.17Å; Y8-R51 HydrophobicContact CE1-CG 4.06Å; Y8-M207 PolarHBondContact N-O 3.06Å; Y8-M207 CarbonylContact O-C 3.59Å; Y8-M207 WeakPolarHBondContact O-CA 3.1Å; Y8-M207 VanDerWaalsContact O-CB 3.3Å; Y8-M207 WeakPolarHBondContact O-CB 3.5Å; Y8-M210 HydrophobicContact CD1-CG 4.42Å; Y8-M210 HydrophobicContact CD2-CB 4.39Å; Y8-M210 HydrophobicContact CD2-CG 4.41Å; Y8-M210 HydrophobicContact CE1-CE 4.24Å; Y8-M210 HydrophobicContact CE1-CG 4.35Å; Y8-M210 HydrophobicContact CE2-CB 4.48Å; Y8-M210 HydrophobicContact CE2-CE 3.69Å; Y8-M210 HydrophobicContact CE2-CG 4.34Å; Y8-M210 HydrophobicContact CG-CG 4.47Å; Y8-M210 VanDerWaalsContact CZ-CE 3.48Å; Y8-M210 VanDerWaalsContact OH-CE 3.29Å; Y8-M210 WeakPolarHBondContact OH-CE 3.29Å; Y8-I222 HydrophobicContact CE1-CG2 4.03Å
9L91.1Very high82.4Confident0 Ų042.1 Ų42.10%022%0.217CC..EExtended strand (participates in β ladder)trans-120.1111.2178.7-171.269.8000109.3L11 V50 R51 I52 S53 D93 I94 V115 V143 L147 M207L9-L11 PolarHBondContact O-N 3.09Å; L9-V50 HydrophobicContact CB-CG1 4.2Å; L9-R51 PolarHBondContact N-O 3.15Å; L9-I52 HydrophobicContact CB-CG1 4.46Å; L9-I52 HydrophobicContact CD2-CD1 4.37Å; L9-I52 WeakPolarHBondContact O-CA 3.31Å; L9-I52 WeakPolarHBondContact O-CG1 3.46Å; L9-S53 PolarHBondContact O-N 3.28Å; L9-D93 HydrophobicContact CD1-CB 3.64Å; L9-D93 HydrophobicContact CG-CB 4.5Å; L9-I94 HydrophobicContact CD1-CG2 4.14Å; L9-I94 HydrophobicContact CD2-CG2 3.92Å; L9-I94 HydrophobicContact CG-CG2 3.8Å; L9-V115 HydrophobicContact CD1-CG2 3.78Å; L9-V143 HydrophobicContact CD2-CG1 3.72Å; L9-L147 HydrophobicContact CD1-CD2 4.37Å; L9-M207 HydrophobicContact CB-CE 4.29Å; L9-M207 HydrophobicContact CD1-CE 4.11Å; L9-M207 HydrophobicContact CD1-CG 4.19Å; L9-M207 HydrophobicContact CD1-SD 4.26Å
10E89.2Confident82.7Confident18 Ų1840.9 Ų40.98%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-83108.2-179.5-62.8-177.8149.800111I55 D93 I94 N209 P211E10-I55 HydrophobicContact CB-CD1 4.33Å; E10-I55 HydrophobicContact CB-CG2 3.86Å; E10-I55 HydrophobicContact CG-CG2 4.07Å; E10-D93 HydrophobicContact CB-CB 4.45Å; E10-D93 PolarHBondContact N-OD2 2.87Å; E10-D93 PolarHBondContact O-N 2.78Å; E10-I94 PolarHBondContact O-N 3.47Å; E10-N209 PolarHBondContact OE1-ND2 3.1Å; E10-P211 HydrophobicContact CG-CB 4.3Å; E10-P211 WeakPolarHBondContact OE1-CA 3.49Å
11L93.8Very high83Confident0 Ų044.4 Ų44.40%023%0.233CC..EExtended strand (participates in β ladder)trans-95.5129.6-177.4174.565.5000112.4L9 L38 I52 S53 L54 I55 I94 L96L9-L11 PolarHBondContact O-N 3.09Å; L11-L38 HydrophobicContact CD2-CD1 4.15Å; L11-L38 HydrophobicContact CD2-CD2 3.29Å; L11-L38 HydrophobicContact CD2-CG 4.38Å; L11-I52 HydrophobicContact CB-CD1 3.96Å; L11-I52 HydrophobicContact CB-CG1 4Å; L11-I52 HydrophobicContact CD2-CD1 3.89Å; L11-I52 HydrophobicContact CG-CD1 4.44Å; L11-S53 PolarHBondContact N-O 2.89Å; L11-L54 HydrophobicContact CD2-CD1 4.29Å; L11-L54 HydrophobicContact CG-CD1 4.34Å; L11-I55 VanDerWaalsContact O-CG1 3.25Å; L11-I55 WeakPolarHBondContact O-CG1 3.4Å; L11-I55 PolarHBondContact O-N 2.78Å; L11-I94 HydrophobicContact CB-CG2 4.17Å; L11-I94 HydrophobicContact CD1-CG2 3.8Å; L11-L96 HydrophobicContact CD1-CB 4.02Å; L11-L96 HydrophobicContact CD1-CD1 3.72Å; L11-L96 HydrophobicContact CD1-CG 3.62Å
12N92Very high84.8Confident0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-107.2116.8164.8171.765.7000110.7F14 H56 K86 N92 I94 T95 L96N12-F14 WeakPolarHBondContact ND2-CE2 3.18Å; N12-F14 WeakPolarHBondContact ND2-CZ 3.41Å; N12-H56 WeakPolarHBondContact OD1-CB 3.3Å; N12-H56 PolarHBondContact OD1-CD2 3.42Å; N12-K86 PolarHBondContact ND2-NZ 3.1Å; N12-K86 PolarHBondContact OD1-NZ 2Å; N12-N92 HydrophobicContact CB-CB 3.87Å; N12-N92 VanDerWaalsContact CB-CG 3.45Å; N12-I94 PolarHBondContact N-O 3.36Å; N12-T95 WeakPolarHBondContact ND2-CG2 3.26Å; N12-T95 PolarHBondContact ND2-OG1 2.88Å; N12-T95 CarbonylContact O-C 3.49Å; N12-T95 VanDerWaalsContact O-CA 3.26Å; N12-T95 WeakPolarHBondContact O-CA 3.23Å; N12-L96 PolarHBondContact O-N 3.46Å
13L95.9Very high86.4Confident3 Ų335.9 Ų35.92%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-107.7131.1-172-177.365.1000111.9I15 F34 L38 L54 H56 A57 E58 L96 F98L13-I15 HydrophobicContact CD1-CD1 4.05Å; L13-I15 HydrophobicContact CD2-CD1 4.13Å; L13-I15 HydrophobicContact CG-CD1 3.91Å; L13-F34 HydrophobicContact CD2-CB 4.19Å; L13-F34 HydrophobicContact CD2-CD1 4.43Å; L13-F34 HydrophobicContact CD2-CG 4.38Å; L13-L38 HydrophobicContact CD2-CD1 4.09Å; L13-L54 HydrophobicContact CB-CD1 3.68Å; L13-L54 HydrophobicContact CD2-CD1 4.38Å; L13-H56 PolarHBondContact N-O 3.38Å; L13-A57 HydrophobicContact CB-CB 4.34Å; L13-A57 CarbonylContact O-C 3.33Å; L13-A57 VanDerWaalsContact O-CA 3.26Å; L13-A57 WeakPolarHBondContact O-CA 3.14Å; L13-E58 PolarHBondContact O-N 3.04Å; L13-L96 HydrophobicContact CD1-CB 4.37Å; L13-F98 HydrophobicContact CD1-CD2 3.55Å; L13-F98 HydrophobicContact CD1-CE2 3.57Å
14F95.5Very high87.7Confident3 Ų340 Ų401%0.01320%0.196CC..EExtended strand (participates in β ladder)trans-124.3138.8173.8-63.4-48.5000111.4N12 H56 E58 W60 L79 F82 T95 L96 L97 F98N12-F14 WeakPolarHBondContact ND2-CE2 3.18Å; N12-F14 WeakPolarHBondContact ND2-CZ 3.41Å; F14-H56 AromaticContact CE1-CD2 3.84Å; F14-H56 AromaticContact CE1-NE2 3.97Å; F14-E58 WeakPolarHBondContact CA-O 3.17Å; F14-E58 HydrophobicContact CD1-CB 3.64Å; F14-E58 HydrophobicContact CE1-CB 3.89Å; F14-W60 HydrophobicContact CB-CH2 3.97Å; F14-W60 HydrophobicContact CB-CZ2 3.81Å; F14-W60 AromaticContact CD1-CZ2 3.89Å; F14-W60 HydrophobicContact CD1-CZ2 3.89Å; F14-W60 HydrophobicContact CD2-CH2 4.39Å; F14-W60 HydrophobicContact CD2-CZ2 4.09Å; F14-W60 HydrophobicContact CE1-CZ2 4.46Å; F14-W60 HydrophobicContact CG-CH2 4.17Å; F14-W60 AromaticContact CG-CZ2 3.67Å; F14-W60 HydrophobicContact CG-CZ2 3.67Å; F14-L79 HydrophobicContact CD2-CD1 3.99Å; F14-L79 HydrophobicContact CE2-CD1 4.4Å; F14-F82 HydrophobicContact CE2-CD1 4.08Å; F14-F82 AromaticContact CE2-CE1 3.72Å; F14-F82 HydrophobicContact CE2-CE1 3.72Å; F14-F82 HydrophobicContact CZ-CD1 4.49Å; F14-F82 AromaticContact CZ-CE1 3.7Å; F14-F82 HydrophobicContact CZ-CE1 3.7Å; F14-T95 HydrophobicContact CD2-CG2 3.75Å; F14-T95 HydrophobicContact CE2-CG2 3.71Å; F14-L96 PolarHBondContact N-O 2.86Å; F14-L97 HydrophobicContact CB-CD1 3.73Å; F14-L97 CarbonylContact O-C 3.49Å; F14-L97 VanDerWaalsContact O-CA 3.29Å; F14-L97 WeakPolarHBondContact O-CA 3.29Å; F14-L97 WeakPolarHBondContact O-CD1 3.39Å; F14-F98 PolarHBondContact O-N 3.4Å
15I96Very high89Confident2 Ų239.4 Ų39.41%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-119.7117.4179.1-48-57.1000109L13 V19 M30 F34 E58 F59 W60 F98L13-I15 HydrophobicContact CD1-CD1 4.05Å; L13-I15 HydrophobicContact CD2-CD1 4.13Å; L13-I15 HydrophobicContact CG-CD1 3.91Å; I15-V19 HydrophobicContact CG2-CB 3.63Å; I15-V19 HydrophobicContact CG2-CG1 3.62Å; I15-V19 HydrophobicContact CG2-CG2 3.97Å; I15-M30 HydrophobicContact CG2-SD 4.36Å; I15-F34 HydrophobicContact CD1-CD1 4Å; I15-F34 HydrophobicContact CD1-CD2 3.94Å; I15-F34 HydrophobicContact CD1-CE1 3.61Å; I15-F34 HydrophobicContact CD1-CE2 3.56Å; I15-F34 HydrophobicContact CD1-CG 4.15Å; I15-F34 HydrophobicContact CD1-CZ 3.37Å; I15-F34 HydrophobicContact CG1-CD2 4.27Å; I15-F34 HydrophobicContact CG1-CE2 3.91Å; I15-F34 HydrophobicContact CG1-CZ 4.18Å; I15-F34 HydrophobicContact CG2-CE2 4.04Å; I15-F34 HydrophobicContact CG2-CZ 4.18Å; I15-E58 PolarHBondContact N-O 2.84Å; I15-F59 HydrophobicContact CB-CD1 3.86Å; I15-F59 HydrophobicContact CB-CE1 4.21Å; I15-F59 HydrophobicContact CB-CG 4.23Å; I15-F59 HydrophobicContact CG1-CD1 3.72Å; I15-F59 HydrophobicContact CG1-CD2 4.36Å; I15-F59 HydrophobicContact CG1-CE1 3.59Å; I15-F59 HydrophobicContact CG1-CE2 4.21Å; I15-F59 HydrophobicContact CG1-CG 4.11Å; I15-F59 HydrophobicContact CG1-CZ 3.83Å; I15-F59 HydrophobicContact CG2-CD1 4.08Å; I15-F59 HydrophobicContact CG2-CE1 4.35Å; I15-W60 WeakPolarHBondContact O-CB 3.32Å; I15-W60 PolarHBondContact O-N 3.37Å; I15-F98 HydrophobicContact CD1-CB 3.83Å; I15-F98 HydrophobicContact CD1-CD2 3.81Å; I15-F98 HydrophobicContact CD1-CG 4.17Å
16D94.9Very high90.1Very high2 Ų242.2 Ų42.21%0.01119%0.194CC..  trans-57.7142.4175.4-178.9-4.2000111.2D18 V19 N64 L97 F98 T99D16-D18 PolarHBondContact O-N 2.86Å; D16-D18 VanDerWaalsContact O-N 3.1Å; D16-D18 PolarHBondContact OD1-N 3.13Å; D16-V19 HydrophobicContact CB-CG2 4.23Å; D16-V19 VanDerWaalsContact O-CB 3.25Å; D16-V19 WeakPolarHBondContact O-CB 3.3Å; D16-V19 PolarHBondContact O-N 3.36Å; D16-N64 VanDerWaalsContact OD1-CG 3.23Å; D16-N64 PolarHBondContact OD1-ND2 3.17Å; D16-N64 PolarHBondContact OD1-OD1 2.94Å; D16-L97 HydrophobicContact CB-CD1 4.43Å; D16-F98 WeakPolarHBondContact CB-O 3.04Å; D16-F98 PolarHBondContact N-O 2.9Å; D16-T99 PolarHBondContact OD2-OG1 3.11Å; D16-T99 VanDerWaalsContact OD2-OG1 3.14Å
17K92.4Very high90.8Very high76 Ų7643.4 Ų43.433%0.3320%0.201SC..Hα-helixtrans-50.2-35.1175.477.7-172.6179.3165.90114V19 A20 W60 N64K17-V19 PolarHBondContact O-N 3.21Å; K17-A20 PolarHBondContact O-N 3.25Å; K17-W60 WeakPolarHBondContact CA-O 3.38Å; K17-W60 WeakPolarHBondContact CB-O 3.49Å; K17-W60 PolarHBondContact N-O 2.92Å; K17-N64 WeakPolarHBondContact CB-OD1 3.4Å; K17-N64 WeakPolarHBondContact CG-OD1 3.35Å; K17-N64 PolarHBondContact N-OD1 2.9Å
18D92.1Very high91.3Very high64 Ų6445.3 Ų45.334%0.34222%0.221SC..Hα-helixtrans-72.6-20.2-175.4-67.8-23.8000111.3D16 W22 A100D16-D18 PolarHBondContact O-N 2.86Å; D16-D18 VanDerWaalsContact O-N 3.1Å; D16-D18 PolarHBondContact OD1-N 3.13Å; D18-W22 VanDerWaalsContact O-CB 3.32Å; D18-W22 WeakPolarHBondContact O-CB 3.36Å; D18-W22 PolarHBondContact O-N 2.86Å; D18-A100 HydrophobicContact CB-CB 4.07Å; D18-A100 WeakPolarHBondContact O-CB 3.5Å
19V92.7Very high91.7Very high0 Ų046.1 Ų46.10%023%0.231CC..Hα-helixtrans-63.7-48.1174.6173.40000111.2I15 D16 K17 N21 W22 M23 M30 F34 A100 I126I15-V19 HydrophobicContact CG2-CB 3.63Å; I15-V19 HydrophobicContact CG2-CG1 3.62Å; I15-V19 HydrophobicContact CG2-CG2 3.97Å; D16-V19 HydrophobicContact CB-CG2 4.23Å; D16-V19 VanDerWaalsContact O-CB 3.25Å; D16-V19 WeakPolarHBondContact O-CB 3.3Å; D16-V19 PolarHBondContact O-N 3.36Å; K17-V19 PolarHBondContact O-N 3.21Å; V19-N21 VanDerWaalsContact C-N 3.27Å; V19-N21 PolarHBondContact O-N 3.45Å; V19-W22 PolarHBondContact O-N 2.83Å; V19-W22 VanDerWaalsContact O-N 3.08Å; V19-M23 HydrophobicContact CG1-CG 3.97Å; V19-M23 HydrophobicContact CG1-SD 3.7Å; V19-M23 WeakPolarHBondContact O-CB 3.44Å; V19-M23 WeakPolarHBondContact O-CG 3.43Å; V19-M23 PolarHBondContact O-N 2.84Å; V19-M30 HydrophobicContact CG1-SD 4.16Å; V19-F34 HydrophobicContact CG1-CZ 4.37Å; V19-A100 HydrophobicContact CG2-CB 4.49Å; V19-I126 HydrophobicContact CB-CD1 4.36Å; V19-I126 HydrophobicContact CG1-CD1 3.41Å; V19-I126 VanDerWaalsContact CG1-CD1 3.41Å; V19-I126 HydrophobicContact CG2-CD1 3.98Å
20A87.9Confident91.7Very high18 Ų1846.2 Ų46.215%0.14923%0.231CC..Hα-helixtrans-57.9-43.4-178.800000111.3K17 R24 M30 L61K17-A20 PolarHBondContact O-N 3.25Å; A20-R24 PolarHBondContact O-N 2.98Å; A20-M30 HydrophobicContact CB-CE 3.76Å; A20-M30 HydrophobicContact CB-SD 4.2Å; A20-L61 HydrophobicContact CB-CD2 3.97Å
21N88.1Confident91.9Very high116 Ų11649.2 Ų49.262%0.6224%0.244SC*.Hα-helixtrans-66.5-38.6176.8-69.6-33.3000112.6V19 R24V19-N21 VanDerWaalsContact C-N 3.27Å; V19-N21 PolarHBondContact O-N 3.45Å; N21-R24 VanDerWaalsContact O-CG 3.23Å; N21-R24 WeakPolarHBondContact O-CG 3.42Å
22W91.1Very high91.9Very high76 Ų7653.9 Ų53.929%0.28827%0.269SS..Hα-helixtrans-73-43.8-179.4-17987.1000112.7D18 V19 R24 A100 P101 I126 K129D18-W22 VanDerWaalsContact O-CB 3.32Å; D18-W22 WeakPolarHBondContact O-CB 3.36Å; D18-W22 PolarHBondContact O-N 2.86Å; V19-W22 PolarHBondContact O-N 2.83Å; V19-W22 VanDerWaalsContact O-N 3.08Å; W22-R24 VanDerWaalsContact C-N 3.31Å; W22-R24 PolarHBondContact O-N 3.01Å; W22-A100 HydrophobicContact CB-CB 3.68Å; W22-A100 HydrophobicContact CG-CB 4.01Å; W22-P101 HydrophobicContact CD2-CG 4.37Å; W22-P101 HydrophobicContact CH2-CG 4.36Å; W22-P101 HydrophobicContact CZ2-CG 3.75Å; W22-I126 HydrophobicContact CH2-CG2 4.39Å; W22-I126 HydrophobicContact CZ3-CB 4.27Å; W22-I126 HydrophobicContact CZ3-CG2 3.81Å; W22-K129 HydrophobicContact CE3-CB 4.41Å; W22-K129 HydrophobicContact CE3-CD 4.47Å; W22-K129 HydrophobicContact CH2-CB 4.03Å; W22-K129 HydrophobicContact CH2-CD 4.39Å; W22-K129 HydrophobicContact CH2-CG 4.19Å; W22-K129 HydrophobicContact CZ3-CB 3.62Å; W22-K129 HydrophobicContact CZ3-CD 4.21Å; W22-K129 HydrophobicContact CZ3-CG 4.17Å; W22-K129 PolarHBondContact O-NZ 3.4Å
23M91.2Very high92.1Very high4 Ų454.4 Ų54.42%0.0227%0.271CS..Hα-helixtrans-64.9-38.6176.6-67.2-170.886.900110.9V19 M25 M30 F33 F34 I126 K129V19-M23 HydrophobicContact CG1-CG 3.97Å; V19-M23 HydrophobicContact CG1-SD 3.7Å; V19-M23 WeakPolarHBondContact O-CB 3.44Å; V19-M23 WeakPolarHBondContact O-CG 3.43Å; V19-M23 PolarHBondContact O-N 2.84Å; M23-M25 VanDerWaalsContact C-N 3.34Å; M23-M25 HydrophobicContact CB-CB 4.41Å; M23-M25 HydrophobicContact CB-CG 4.21Å; M23-M25 HydrophobicContact CB-SD 4.18Å; M23-M25 HydrophobicContact CE-SD 3.76Å; M23-M30 HydrophobicContact SD-CG 3.75Å; M23-M30 HydrophobicContact SD-SD 4.21Å; M23-F33 HydrophobicContact CE-CB 4.38Å; M23-F33 HydrophobicContact CE-CD1 3.68Å; M23-F33 HydrophobicContact CE-CD2 3.89Å; M23-F33 HydrophobicContact CE-CE1 3.86Å; M23-F33 HydrophobicContact CE-CE2 4.06Å; M23-F33 HydrophobicContact CE-CG 3.71Å; M23-F33 HydrophobicContact CE-CZ 4.06Å; M23-F34 HydrophobicContact SD-CE2 4.48Å; M23-I126 HydrophobicContact SD-CD1 4.37Å; M23-K129 HydrophobicContact CE-CB 3.87Å; M23-K129 HydrophobicContact CG-CB 4.15Å; M23-K129 WeakPolarHBondContact O-CD 3.15Å; M23-K129 PolarHBondContact O-NZ 3.18Å
24R89.9Confident92.1Very high213 Ų21354.4 Ų54.480%0.80427%0.271SS*.THydrogen-bonded Turntrans60.842.9-173.7-54179.1-177.7169.6-0.5112A20 N21 W22A20-R24 PolarHBondContact O-N 2.98Å; N21-R24 VanDerWaalsContact O-CG 3.23Å; N21-R24 WeakPolarHBondContact O-CG 3.42Å; W22-R24 VanDerWaalsContact C-N 3.31Å; W22-R24 PolarHBondContact O-N 3.01Å
25M88.1Confident92.1Very high66 Ų6656.7 Ų56.733%0.32528%0.283SS..  trans-118.8151.7179.8-66.2172.271.900109.5M23 A29 M30M23-M25 VanDerWaalsContact C-N 3.34Å; M23-M25 HydrophobicContact CB-CB 4.41Å; M23-M25 HydrophobicContact CB-CG 4.21Å; M23-M25 HydrophobicContact CB-SD 4.18Å; M23-M25 HydrophobicContact CE-SD 3.76Å; M25-A29 HydrophobicContact CB-CB 4.42Å; M25-A29 HydrophobicContact CE-CB 3.65Å; M25-M30 HydrophobicContact CB-CB 4.48Å
26E90.3Very high92.1Very high149 Ų14961.8 Ų61.870%0.69631%0.307SS*.  trans-67.9159.9168.664.8-179.5-178.800111.2G28 A29 M30E26-G28 VanDerWaalsContact C-N 3.28Å; E26-G28 PolarHBondContact O-N 2.83Å; E26-A29 HydrophobicContact CG-CB 3.88Å; E26-A29 PolarHBondContact O-N 3.03Å; E26-M30 WeakPolarHBondContact O-CB 3.32Å; E26-M30 PolarHBondContact O-N 3.35Å
27L89.3Confident92.2Very high85 Ų8561.7 Ų61.745%0.44531%0.307SS..Hα-helixtrans-57.2-40.2-175.2-179.262.3000112.6M30 F31 F59 L61L27-M30 HydrophobicContact CD1-CE 4.18Å; L27-M30 PolarHBondContact O-N 3.04Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 PolarHBondContact O-N 3.33Å; L27-F59 HydrophobicContact CD1-CB 3.65Å; L27-F59 HydrophobicContact CD1-CD1 3.76Å; L27-F59 HydrophobicContact CD1-CD2 4.21Å; L27-F59 HydrophobicContact CD1-CE1 4.48Å; L27-F59 HydrophobicContact CD1-CG 3.6Å; L27-L61 HydrophobicContact CD1-CD2 4.48Å; L27-L61 HydrophobicContact CD2-CD1 4.43Å
28G90.8Very high92.4Very high41 Ų4158.5 Ų58.542%0.42329%0.293SS..Hα-helixtrans-63.8-48.6179.400000112.7E26 M30 F31 N32E26-G28 VanDerWaalsContact C-N 3.28Å; E26-G28 PolarHBondContact O-N 2.83Å; G28-M30 VanDerWaalsContact C-N 3.33Å; G28-M30 PolarHBondContact O-N 2.84Å; G28-F31 PolarHBondContact O-N 2.98Å; G28-N32 PolarHBondContact O-N 2.83Å
29A92.4Very high92.5Very high32 Ų3260.6 Ų60.626%0.26430%0.304SS..Hα-helixtrans-64.1-38177.500000112.1M25 E26 N32 F33M25-A29 HydrophobicContact CB-CB 4.42Å; M25-A29 HydrophobicContact CE-CB 3.65Å; E26-A29 HydrophobicContact CG-CB 3.88Å; E26-A29 PolarHBondContact O-N 3.03Å; A29-N32 PolarHBondContact O-N 3.24Å; A29-F33 PolarHBondContact O-N 2.62Å
30M92.8Very high92.5Very high3 Ų362 Ų622%0.01531%0.312CS..Hα-helixtrans-67.3-40.7175.8-167.8-177.48.400111.9I15 V19 A20 M23 M25 E26 L27 G28 F33 F34 F59 L61I15-M30 HydrophobicContact CG2-SD 4.36Å; V19-M30 HydrophobicContact CG1-SD 4.16Å; A20-M30 HydrophobicContact CB-CE 3.76Å; A20-M30 HydrophobicContact CB-SD 4.2Å; M23-M30 HydrophobicContact SD-CG 3.75Å; M23-M30 HydrophobicContact SD-SD 4.21Å; M25-M30 HydrophobicContact CB-CB 4.48Å; E26-M30 WeakPolarHBondContact O-CB 3.32Å; E26-M30 PolarHBondContact O-N 3.35Å; L27-M30 HydrophobicContact CD1-CE 4.18Å; L27-M30 PolarHBondContact O-N 3.04Å; G28-M30 VanDerWaalsContact C-N 3.33Å; G28-M30 PolarHBondContact O-N 2.84Å; M30-F33 WeakPolarHBondContact O-CB 3.37Å; M30-F33 PolarHBondContact O-N 2.71Å; M30-F34 HydrophobicContact CG-CD2 4.22Å; M30-F34 HydrophobicContact CG-CE2 3.89Å; M30-F34 WeakPolarHBondContact O-CD2 3.47Å; M30-F34 PolarHBondContact O-N 2.05Å; M30-F34 HydrophobicContact SD-CE2 4.47Å; M30-F59 HydrophobicContact CB-CE1 4.36Å; M30-F59 HydrophobicContact CE-CD1 3.92Å; M30-F59 HydrophobicContact CE-CE1 4.37Å; M30-F59 HydrophobicContact CG-CD1 4.3Å; M30-F59 HydrophobicContact CG-CE1 3.82Å; M30-F59 HydrophobicContact SD-CD1 3.82Å; M30-F59 HydrophobicContact SD-CE1 3.93Å; M30-L61 HydrophobicContact CE-CD2 4.47Å
31F92.8Very high92.9Very high81 Ų8161.1 Ų61.136%0.35531%0.305SS..Hα-helixtrans-61-46.3174.7-179.7-108.4000111.5L27 G28 F33 F34 L35 A57 F59L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 PolarHBondContact O-N 3.33Å; G28-F31 PolarHBondContact O-N 2.98Å; F31-F33 VanDerWaalsContact C-N 3.32Å; F31-F33 PolarHBondContact O-N 3.13Å; F31-F34 PolarHBondContact O-N 3.48Å; F31-L35 HydrophobicContact CD1-CD1 3.74Å; F31-L35 HydrophobicContact CD1-CG 4.24Å; F31-L35 HydrophobicContact CE1-CD1 3.22Å; F31-L35 HydrophobicContact CE1-CD2 4.49Å; F31-L35 HydrophobicContact CE1-CG 3.9Å; F31-L35 HydrophobicContact CE2-CD1 4.45Å; F31-L35 HydrophobicContact CE2-CD2 4.41Å; F31-L35 HydrophobicContact CE2-CG 4.3Å; F31-L35 HydrophobicContact CZ-CD1 3.63Å; F31-L35 HydrophobicContact CZ-CD2 4.06Å; F31-L35 HydrophobicContact CZ-CG 3.92Å; F31-L35 PolarHBondContact O-N 3.31Å; F31-A57 HydrophobicContact CE2-CB 4.45Å; F31-F59 HydrophobicContact CB-CZ 4.21Å; F31-F59 AromaticContact CD2-CE2 3.71Å; F31-F59 HydrophobicContact CD2-CE2 3.71Å; F31-F59 AromaticContact CD2-CZ 3.92Å; F31-F59 HydrophobicContact CD2-CZ 3.92Å; F31-F59 HydrophobicContact CE2-CE2 4.49Å
32N93.7Very high93.2Very high97 Ų9756.4 Ų56.452%0.51928%0.28SS..Hα-helixtrans-60.5-40.4176.2-70.6-13.7000112.3G28 A29 F34 L35 E36G28-N32 PolarHBondContact O-N 2.83Å; A29-N32 PolarHBondContact O-N 3.24Å; N32-F34 PolarHBondContact O-N 3.23Å; N32-L35 PolarHBondContact O-N 3.33Å; N32-E36 WeakPolarHBondContact O-CB 2.96Å; N32-E36 PolarHBondContact O-N 3.37Å
33F96Very high93.2Very high11 Ų1157.2 Ų57.25%0.04829%0.29CS..Hα-helixtrans-56.4-47.7174.8175.5-82.6000112M23 A29 M30 F31 E36 A37 D128 K129 P132 T135M23-F33 HydrophobicContact CE-CB 4.38Å; M23-F33 HydrophobicContact CE-CD1 3.68Å; M23-F33 HydrophobicContact CE-CD2 3.89Å; M23-F33 HydrophobicContact CE-CE1 3.86Å; M23-F33 HydrophobicContact CE-CE2 4.06Å; M23-F33 HydrophobicContact CE-CG 3.71Å; M23-F33 HydrophobicContact CE-CZ 4.06Å; A29-F33 PolarHBondContact O-N 2.62Å; M30-F33 WeakPolarHBondContact O-CB 3.37Å; M30-F33 PolarHBondContact O-N 2.71Å; F31-F33 VanDerWaalsContact C-N 3.32Å; F31-F33 PolarHBondContact O-N 3.13Å; F33-E36 PolarHBondContact O-N 3.12Å; F33-A37 PolarHBondContact O-N 2.96Å; F33-A37 VanDerWaalsContact O-N 3.08Å; F33-D128 WeakPolarHBondContact CZ-O 3.39Å; F33-K129 WeakPolarHBondContact CE2-O 3Å; F33-P132 HydrophobicContact CD2-CB 4.25Å; F33-P132 HydrophobicContact CD2-CG 3.55Å; F33-P132 HydrophobicContact CE2-CB 4.18Å; F33-P132 HydrophobicContact CE2-CG 3.74Å; F33-P132 HydrophobicContact CG-CG 4.18Å; F33-T135 HydrophobicContact CE1-CG2 4.25Å; F33-T135 WeakPolarHBondContact CE1-OG1 3.26Å; F33-T135 WeakPolarHBondContact CZ-OG1 3.28Å
34F96.4Very high93.3Very high3 Ų357.9 Ų57.91%0.01329%0.293CS..Hα-helixtrans-70.1-36.5178.4-76.5-71.8000112.7L13 I15 V19 M23 M30 F31 N32 A37 L38 F59 F98 I126 T135L13-F34 HydrophobicContact CD2-CB 4.19Å; L13-F34 HydrophobicContact CD2-CD1 4.43Å; L13-F34 HydrophobicContact CD2-CG 4.38Å; I15-F34 HydrophobicContact CD1-CD1 4Å; I15-F34 HydrophobicContact CD1-CD2 3.94Å; I15-F34 HydrophobicContact CD1-CE1 3.61Å; I15-F34 HydrophobicContact CD1-CE2 3.56Å; I15-F34 HydrophobicContact CD1-CG 4.15Å; I15-F34 HydrophobicContact CD1-CZ 3.37Å; I15-F34 HydrophobicContact CG1-CD2 4.27Å; I15-F34 HydrophobicContact CG1-CE2 3.91Å; I15-F34 HydrophobicContact CG1-CZ 4.18Å; I15-F34 HydrophobicContact CG2-CE2 4.04Å; I15-F34 HydrophobicContact CG2-CZ 4.18Å; V19-F34 HydrophobicContact CG1-CZ 4.37Å; M23-F34 HydrophobicContact SD-CE2 4.48Å; M30-F34 HydrophobicContact CG-CD2 4.22Å; M30-F34 HydrophobicContact CG-CE2 3.89Å; M30-F34 WeakPolarHBondContact O-CD2 3.47Å; M30-F34 PolarHBondContact O-N 2.05Å; M30-F34 HydrophobicContact SD-CE2 4.47Å; F31-F34 PolarHBondContact O-N 3.48Å; N32-F34 PolarHBondContact O-N 3.23Å; F34-A37 PolarHBondContact O-N 3.04Å; F34-L38 WeakPolarHBondContact O-CB 3.34Å; F34-L38 VanDerWaalsContact O-CG 3.27Å; F34-L38 WeakPolarHBondContact O-CG 3.39Å; F34-L38 PolarHBondContact O-N 2.9Å; F34-F59 AromaticContact CD2-CE1 3.73Å; F34-F59 HydrophobicContact CD2-CE1 3.73Å; F34-F59 AromaticContact CD2-CZ 3.84Å; F34-F59 HydrophobicContact CD2-CZ 3.84Å; F34-F59 AromaticContact CE2-CE1 3.96Å; F34-F59 HydrophobicContact CE2-CE1 3.96Å; F34-F59 HydrophobicContact CE2-CZ 4.47Å; F34-F98 HydrophobicContact CD1-CD2 4.23Å; F34-F98 HydrophobicContact CD1-CE2 4.1Å; F34-F98 HydrophobicContact CD1-CZ 4.39Å; F34-F98 HydrophobicContact CE1-CB 4.19Å; F34-F98 AromaticContact CE1-CD1 3.93Å; F34-F98 HydrophobicContact CE1-CD1 3.93Å; F34-F98 AromaticContact CE1-CD2 3.63Å; F34-F98 HydrophobicContact CE1-CD2 3.63Å; F34-F98 HydrophobicContact CE1-CE1 4.09Å; F34-F98 AromaticContact CE1-CE2 3.83Å; F34-F98 HydrophobicContact CE1-CE2 3.83Å; F34-F98 AromaticContact CE1-CG 3.64Å; F34-F98 HydrophobicContact CE1-CG 3.64Å; F34-F98 HydrophobicContact CE1-CZ 4.02Å; F34-F98 HydrophobicContact CZ-CB 4.22Å; F34-F98 HydrophobicContact CZ-CD2 4.42Å; F34-F98 HydrophobicContact CZ-CG 4.16Å; F34-I126 HydrophobicContact CE1-CD1 4.05Å; F34-I126 HydrophobicContact CZ-CD1 3.5Å; F34-I126 VanDerWaalsContact CZ-CD1 3.5Å; F34-T135 HydrophobicContact CE1-CG2 4.44Å
35L95Very high93.4Very high51 Ų5147.8 Ų47.827%0.26725%0.254SS..Hα-helixtrans-62.2-43.3174.3-76.3-174.7000111.7F31 N32 A37 L38 N39 L54F31-L35 HydrophobicContact CD1-CD1 3.74Å; F31-L35 HydrophobicContact CD1-CG 4.24Å; F31-L35 HydrophobicContact CE1-CD1 3.22Å; F31-L35 HydrophobicContact CE1-CD2 4.49Å; F31-L35 HydrophobicContact CE1-CG 3.9Å; F31-L35 HydrophobicContact CE2-CD1 4.45Å; F31-L35 HydrophobicContact CE2-CD2 4.41Å; F31-L35 HydrophobicContact CE2-CG 4.3Å; F31-L35 HydrophobicContact CZ-CD1 3.63Å; F31-L35 HydrophobicContact CZ-CD2 4.06Å; F31-L35 HydrophobicContact CZ-CG 3.92Å; F31-L35 PolarHBondContact O-N 3.31Å; N32-L35 PolarHBondContact O-N 3.33Å; L35-A37 VanDerWaalsContact C-N 3.34Å; L35-A37 PolarHBondContact O-N 3.47Å; L35-L38 PolarHBondContact O-N 3.36Å; L35-N39 WeakPolarHBondContact O-CB 2.93Å; L35-N39 PolarHBondContact O-N 2.81Å; L35-N39 PolarHBondContact O-ND2 2.02Å; L35-L54 HydrophobicContact CD2-CD2 3.72Å
36E96.1Very high93.3Very high110 Ų11047.3 Ų47.351%0.51425%0.251SS..Hα-helixtrans-63.5-41.1177.1-169.6178.3154.400111.7N32 F33 L38 N39 T40 P132N32-E36 WeakPolarHBondContact O-CB 2.96Å; N32-E36 PolarHBondContact O-N 3.37Å; F33-E36 PolarHBondContact O-N 3.12Å; E36-L38 PolarHBondContact O-N 2.84Å; E36-N39 PolarHBondContact O-N 3.32Å; E36-T40 WeakPolarHBondContact O-CB 3.15Å; E36-T40 PolarHBondContact O-N 3.07Å; E36-T40 PolarHBondContact O-OG1 3.03Å; E36-P132 HydrophobicContact CB-CB 3.98Å; E36-P132 HydrophobicContact CB-CG 4.14Å; E36-P132 HydrophobicContact CG-CB 4.03Å; E36-P132 HydrophobicContact CG-CG 4.16Å
37A96.5Very high93Very high0 Ų046 Ų460%025%0.245CC..Hα-helixtrans-62.8-40.6173.500000112.3F33 F34 L35 T40 L41 P132 T135 A136 L139F33-A37 PolarHBondContact O-N 2.96Å; F33-A37 VanDerWaalsContact O-N 3.08Å; F34-A37 PolarHBondContact O-N 3.04Å; L35-A37 VanDerWaalsContact C-N 3.34Å; L35-A37 PolarHBondContact O-N 3.47Å; A37-T40 PolarHBondContact O-N 2.77Å; A37-L41 PolarHBondContact O-N 3.3Å; A37-P132 HydrophobicContact CB-CB 4.16Å; A37-P132 WeakPolarHBondContact CB-O 3.39Å; A37-T135 HydrophobicContact CB-CG2 3.82Å; A37-A136 HydrophobicContact CB-CB 4.38Å; A37-A136 VanDerWaalsContact O-CB 3.26Å; A37-A136 WeakPolarHBondContact O-CB 3.38Å; A37-L139 HydrophobicContact CB-CD1 4.21Å
38L97Very high92.9Very high9 Ų942.7 Ų42.75%0.04723%0.228CC..Hα-helixtrans-70.1-38.7177.6-74.4173.9000113.1L11 L13 F34 L35 E36 T40 L41 D42 L54 L139L11-L38 HydrophobicContact CD2-CD1 4.15Å; L11-L38 HydrophobicContact CD2-CD2 3.29Å; L11-L38 HydrophobicContact CD2-CG 4.38Å; L13-L38 HydrophobicContact CD2-CD1 4.09Å; F34-L38 WeakPolarHBondContact O-CB 3.34Å; F34-L38 VanDerWaalsContact O-CG 3.27Å; F34-L38 WeakPolarHBondContact O-CG 3.39Å; F34-L38 PolarHBondContact O-N 2.9Å; L35-L38 PolarHBondContact O-N 3.36Å; E36-L38 PolarHBondContact O-N 2.84Å; L38-T40 VanDerWaalsContact C-N 3.29Å; L38-T40 PolarHBondContact O-N 3.35Å; L38-L41 HydrophobicContact CD2-CD2 4.25Å; L38-L41 WeakPolarHBondContact O-CB 3.19Å; L38-L41 PolarHBondContact O-N 2.92Å; L38-D42 PolarHBondContact O-N 2.91Å; L38-L54 HydrophobicContact CD1-CB 4.25Å; L38-L54 HydrophobicContact CD1-CD1 3.99Å; L38-L54 HydrophobicContact CD1-CD2 3.91Å; L38-L54 HydrophobicContact CD1-CG 4.27Å; L38-L139 HydrophobicContact CD2-CD1 3.96Å
39N94.1Very high92.6Very high108 Ų10843.4 Ų43.458%0.57822%0.222SC*.Hα-helixtrans-64.6-38.8174.2-69.9-16.9000110.8L35 E36 D42 L43L35-N39 WeakPolarHBondContact O-CB 2.93Å; L35-N39 PolarHBondContact O-N 2.81Å; L35-N39 PolarHBondContact O-ND2 2.02Å; E36-N39 PolarHBondContact O-N 3.32Å; N39-D42 WeakPolarHBondContact O-CB 3.4Å; N39-D42 PolarHBondContact O-N 3.34Å; N39-L43 PolarHBondContact O-N 3.14Å
40T93.9Very high92.4Very high28 Ų2841.9 Ų41.917%0.17221%0.21CC..Hα-helixtrans-65.5-40.2173.6-54.20000111.2E36 A37 L38 D42 L43 F44 F133 A136E36-T40 WeakPolarHBondContact O-CB 3.15Å; E36-T40 PolarHBondContact O-N 3.07Å; E36-T40 PolarHBondContact O-OG1 3.03Å; A37-T40 PolarHBondContact O-N 2.77Å; L38-T40 VanDerWaalsContact C-N 3.29Å; L38-T40 PolarHBondContact O-N 3.35Å; T40-D42 VanDerWaalsContact C-N 3.34Å; T40-D42 PolarHBondContact O-N 3.31Å; T40-L43 WeakPolarHBondContact O-CB 2.95Å; T40-L43 PolarHBondContact O-N 3.09Å; T40-F44 HydrophobicContact CG2-CE1 4.46Å; T40-F44 HydrophobicContact CG2-CE2 3.8Å; T40-F44 HydrophobicContact CG2-CZ 3.74Å; T40-F44 WeakPolarHBondContact O-CD2 3.49Å; T40-F44 PolarHBondContact O-N 3.1Å; T40-F133 HydrophobicContact CG2-CD2 3.96Å; T40-F133 HydrophobicContact CG2-CE2 4.34Å; T40-A136 HydrophobicContact CG2-CB 3.62Å
41L95.8Very high92.1Very high0 Ų043.6 Ų43.60%022%0.216CC..Hα-helixtrans-59.7-43.1172.5170.368000111.9A37 L38 L43 F44 L45 I52 L139 A140 V143A37-L41 PolarHBondContact O-N 3.3Å; L38-L41 HydrophobicContact CD2-CD2 4.25Å; L38-L41 WeakPolarHBondContact O-CB 3.19Å; L38-L41 PolarHBondContact O-N 2.92Å; L41-L43 VanDerWaalsContact C-N 3.25Å; L41-L43 PolarHBondContact O-N 2.93Å; L41-F44 WeakPolarHBondContact O-CB 3.44Å; L41-F44 PolarHBondContact O-N 3.35Å; L41-L45 HydrophobicContact CD1-CD1 3.93Å; L41-L45 HydrophobicContact CD1-CG 3.95Å; L41-L45 HydrophobicContact CD2-CD1 4.2Å; L41-L45 HydrophobicContact CG-CD1 3.8Å; L41-L45 HydrophobicContact CG-CG 4.25Å; L41-L45 WeakPolarHBondContact O-CG 3.24Å; L41-L45 PolarHBondContact O-N 3.49Å; L41-I52 HydrophobicContact CD2-CD1 3.39Å; L41-I52 HydrophobicContact CD2-CG2 4.22Å; L41-I52 HydrophobicContact CG-CD1 4.46Å; L41-I52 HydrophobicContact CG-CG2 4.34Å; L41-L139 HydrophobicContact CD1-CB 4.35Å; L41-L139 HydrophobicContact CD2-CB 4.07Å; L41-A140 VanDerWaalsContact CD1-CA 3.43Å; L41-A140 HydrophobicContact CD1-CB 3.72Å; L41-V143 HydrophobicContact CD2-CG2 4.18Å
42D93.9Very high92Very high17 Ų1740.8 Ų40.89%0.09121%0.205CC..Hα-helixtrans-55.3-43.3177.2-170.663.3000110.8L38 N39 T40 F44 L45 Q46 R51 I52L38-D42 PolarHBondContact O-N 2.91Å; N39-D42 WeakPolarHBondContact O-CB 3.4Å; N39-D42 PolarHBondContact O-N 3.34Å; T40-D42 VanDerWaalsContact C-N 3.34Å; T40-D42 PolarHBondContact O-N 3.31Å; D42-F44 VanDerWaalsContact C-N 3.34Å; D42-F44 PolarHBondContact O-N 2.94Å; D42-L45 PolarHBondContact O-N 3.32Å; D42-L45 VanDerWaalsContact O-N 3.17Å; D42-Q46 VanDerWaalsContact O-CG 3.31Å; D42-Q46 WeakPolarHBondContact O-CG 3.4Å; D42-Q46 PolarHBondContact O-N 3.46Å; D42-Q46 PolarHBondContact OD2-NE2 2.91Å; D42-R51 WeakPolarHBondContact OD1-CA 3.46Å; D42-R51 IonicContact OD1-NE 3.82Å; D42-R51 PolarHBondContact OD1-NE 2.83Å; D42-R51 VanDerWaalsContact OD1-NE 3.09Å; D42-R51 IonicContact OD2-CZ 3.71Å; D42-R51 IonicContact OD2-NE 2.7Å; D42-R51 PolarHBondContact OD2-NE 3.35Å; D42-R51 IonicContact OD2-NH2 3.76Å; D42-R51 PolarHBondContact OD2-NH2 3.46Å; D42-I52 HydrophobicContact CB-CG2 3.87Å; D42-I52 PolarHBondContact OD1-N 2.86Å
43L90.9Very high91.8Very high93 Ų9337.6 Ų37.649%0.48719%0.19SC..Hα-helixtrans-60.1-40.7175.6-63.9173.6000112.9N39 T40 L41 H47N39-L43 PolarHBondContact O-N 3.14Å; T40-L43 WeakPolarHBondContact O-CB 2.95Å; T40-L43 PolarHBondContact O-N 3.09Å; L41-L43 VanDerWaalsContact C-N 3.25Å; L41-L43 PolarHBondContact O-N 2.93Å; L43-H47 PolarHBondContact O-ND1 3.45Å
44F92.6Very high91.5Very high19 Ų1939.7 Ų39.78%0.08320%0.201CC..Hα-helixtrans-65.8-38.3175.9-61.2-36.3000112.3T40 L41 D42 F133 A136 L137 A140 L166 Y187T40-F44 HydrophobicContact CG2-CE1 4.46Å; T40-F44 HydrophobicContact CG2-CE2 3.8Å; T40-F44 HydrophobicContact CG2-CZ 3.74Å; T40-F44 WeakPolarHBondContact O-CD2 3.49Å; T40-F44 PolarHBondContact O-N 3.1Å; L41-F44 WeakPolarHBondContact O-CB 3.44Å; L41-F44 PolarHBondContact O-N 3.35Å; D42-F44 VanDerWaalsContact C-N 3.34Å; D42-F44 PolarHBondContact O-N 2.94Å; F44-F133 HydrophobicContact CE1-CE2 4.47Å; F44-F133 HydrophobicContact CZ-CD2 4.47Å; F44-F133 AromaticContact CZ-CE2 3.73Å; F44-F133 HydrophobicContact CZ-CE2 3.73Å; F44-F133 HydrophobicContact CZ-CZ 4.26Å; F44-A136 HydrophobicContact CE2-CB 3.99Å; F44-L137 HydrophobicContact CE2-CD2 3.94Å; F44-L137 HydrophobicContact CZ-CD2 3.9Å; F44-A140 HydrophobicContact CD2-CB 3.85Å; F44-L166 HydrophobicContact CB-CD1 3.83Å; F44-L166 HydrophobicContact CD1-CD1 4.37Å; F44-L166 HydrophobicContact CD2-CD2 4.34Å; F44-L166 HydrophobicContact CE2-CD2 4.43Å; F44-L166 HydrophobicContact CG-CD1 4.02Å; F44-L166 HydrophobicContact CG-CD2 4.49Å; F44-Y187 HydrophobicContact CB-CE2 4.49Å
45L92.6Very high91Very high0 Ų042.7 Ų42.70%022%0.217CC..Hα-helixtrans-75.8-27.3-179.2-70.8174.4000113.1L41 D42 H47 V48 N49 V50 I52 V143 L147 Y187L41-L45 HydrophobicContact CD1-CD1 3.93Å; L41-L45 HydrophobicContact CD1-CG 3.95Å; L41-L45 HydrophobicContact CD2-CD1 4.2Å; L41-L45 HydrophobicContact CG-CD1 3.8Å; L41-L45 HydrophobicContact CG-CG 4.25Å; L41-L45 WeakPolarHBondContact O-CG 3.24Å; L41-L45 PolarHBondContact O-N 3.49Å; D42-L45 PolarHBondContact O-N 3.32Å; D42-L45 VanDerWaalsContact O-N 3.17Å; L45-H47 PolarHBondContact O-N 3.36Å; L45-H47 VanDerWaalsContact O-N 3.15Å; L45-V48 HydrophobicContact CD2-CG2 4.47Å; L45-V48 CarbonylContact O-C 3.54Å; L45-V48 WeakPolarHBondContact O-CG2 3.22Å; L45-V48 PolarHBondContact O-N 2.98Å; L45-N49 PolarHBondContact O-N 2.88Å; L45-V50 CarbonylContact C-O 3.55Å; L45-V50 HydrophobicContact CB-CB 4.09Å; L45-V50 HydrophobicContact CB-CG1 4.33Å; L45-V50 VanDerWaalsContact CB-O 3.29Å; L45-V50 WeakPolarHBondContact CB-O 3.44Å; L45-V50 HydrophobicContact CD1-CG1 4.32Å; L45-V50 PolarHBondContact O-N 3.43Å; L45-V50 VanDerWaalsContact O-N 3.08Å; L45-I52 HydrophobicContact CD1-CB 3.86Å; L45-I52 HydrophobicContact CD1-CD1 4.43Å; L45-I52 HydrophobicContact CD1-CG2 4.16Å; L45-V143 HydrophobicContact CD1-CG1 4.36Å; L45-V143 HydrophobicContact CD2-CG1 4.1Å; L45-L147 HydrophobicContact CD2-CD1 4.48Å; L45-Y187 HydrophobicContact CD2-CE2 4.01Å
46Q86.2Confident90.6Very high56 Ų5643.1 Ų43.126%0.26222%0.217SC..Hα-helixtrans-57.7-29.6174.7-77.3174.735.800112.3D42 V48 N49 V50D42-Q46 VanDerWaalsContact O-CG 3.31Å; D42-Q46 WeakPolarHBondContact O-CG 3.4Å; D42-Q46 PolarHBondContact O-N 3.46Å; D42-Q46 PolarHBondContact OD2-NE2 2.91Å; Q46-V48 PolarHBondContact O-N 2.97Å; Q46-V48 VanDerWaalsContact O-N 3.16Å; Q46-N49 PolarHBondContact O-N 2.68Å; Q46-V50 PolarHBondContact N-O 3.3Å
47H84.4Confident90.4Very high123 Ų12339.4 Ų39.457%0.56921%0.205SC*.THydrogen-bonded Turntrans-65.1-18.4177.3-6946000113.3L43 L45L43-H47 PolarHBondContact O-ND1 3.45Å; L45-H47 PolarHBondContact O-N 3.36Å; L45-H47 VanDerWaalsContact O-N 3.15Å
48V86.5Confident90.2Very high15 Ų1541 Ų419%0.09121%0.213CC..THydrogen-bonded Turntrans-115.320.3176.2-63.70000112L45 Q46 V50 M149 Y187 V192L45-V48 HydrophobicContact CD2-CG2 4.47Å; L45-V48 CarbonylContact O-C 3.54Å; L45-V48 WeakPolarHBondContact O-CG2 3.22Å; L45-V48 PolarHBondContact O-N 2.98Å; Q46-V48 PolarHBondContact O-N 2.97Å; Q46-V48 VanDerWaalsContact O-N 3.16Å; V48-V50 VanDerWaalsContact C-N 3.32Å; V48-V50 HydrophobicContact CG2-CB 4.34Å; V48-V50 HydrophobicContact CG2-CG2 4.09Å; V48-V50 PolarHBondContact O-N 2.73Å; V48-M149 HydrophobicContact CG1-CE 4.44Å; V48-M149 HydrophobicContact CG2-CE 4.18Å; V48-Y187 HydrophobicContact CG1-CD2 4.07Å; V48-Y187 HydrophobicContact CG1-CG 4.38Å; V48-Y187 HydrophobicContact CG2-CD2 4.36Å; V48-V192 HydrophobicContact CG1-CG1 4.47Å; V48-V192 HydrophobicContact CG1-CG2 3.6Å
49N84Confident90Very high55 Ų5542.1 Ų42.129%0.29422%0.217SC..THydrogen-bonded Turntrans56.440.4-179.1-63.2-39.3000113.5E3 M6 K7 L45 Q46E3-N49 PolarHBondContact O-ND2 2.85Å; M6-N49 WeakPolarHBondContact CA-O 3.43Å; M6-N49 VanDerWaalsContact SD-CA 3.54Å; M6-N49 HydrophobicContact SD-CB 3.62Å; K7-N49 WeakPolarHBondContact CD-O 3.42Å; K7-N49 PolarHBondContact N-O 3.16Å; L45-N49 PolarHBondContact O-N 2.88Å; Q46-N49 PolarHBondContact O-N 2.68Å
50V88Confident90Very high0 Ų037.3 Ų37.30%019%0.191CC..EExtended strand (participates in β ladder)trans-119.2134.5174177.50000109.2K7 L9 L45 Q46 V48 F195 M207K7-V50 HydrophobicContact CB-CG2 4.35Å; K7-V50 HydrophobicContact CD-CG2 4.31Å; K7-V50 CarbonylContact O-C 3.59Å; K7-V50 WeakPolarHBondContact O-CA 3.27Å; L9-V50 HydrophobicContact CB-CG1 4.2Å; L45-V50 CarbonylContact C-O 3.55Å; L45-V50 HydrophobicContact CB-CB 4.09Å; L45-V50 HydrophobicContact CB-CG1 4.33Å; L45-V50 VanDerWaalsContact CB-O 3.29Å; L45-V50 WeakPolarHBondContact CB-O 3.44Å; L45-V50 HydrophobicContact CD1-CG1 4.32Å; L45-V50 PolarHBondContact O-N 3.43Å; L45-V50 VanDerWaalsContact O-N 3.08Å; Q46-V50 PolarHBondContact N-O 3.3Å; V48-V50 VanDerWaalsContact C-N 3.32Å; V48-V50 HydrophobicContact CG2-CB 4.34Å; V48-V50 HydrophobicContact CG2-CG2 4.09Å; V48-V50 PolarHBondContact O-N 2.73Å; V50-F195 HydrophobicContact CG2-CE1 3.92Å; V50-F195 HydrophobicContact CG2-CZ 3.65Å; V50-M207 HydrophobicContact CG1-CE 3.85Å; V50-M207 HydrophobicContact CG2-CE 4.04Å
51R87.6Confident89.7Confident40 Ų4040.3 Ų40.315%0.15121%0.206CC..EExtended strand (participates in β ladder)trans-105.2141.9166.6-58.4-55.8-62.9-83.42.4109.6M6 K7 Y8 L9 D42 G221M6-R51 HydrophobicContact CE-CG 3.4Å; K7-R51 PolarHBondContact O-N 3.36Å; Y8-R51 CarbonylContact C-O 3.54Å; Y8-R51 WeakPolarHBondContact CA-O 3.42Å; Y8-R51 HydrophobicContact CD1-CB 3.88Å; Y8-R51 HydrophobicContact CD1-CG 4.28Å; Y8-R51 HydrophobicContact CE1-CB 4.17Å; Y8-R51 HydrophobicContact CE1-CG 4.06Å; L9-R51 PolarHBondContact N-O 3.15Å; D42-R51 WeakPolarHBondContact OD1-CA 3.46Å; D42-R51 IonicContact OD1-NE 3.82Å; D42-R51 PolarHBondContact OD1-NE 2.83Å; D42-R51 VanDerWaalsContact OD1-NE 3.09Å; D42-R51 IonicContact OD2-CZ 3.71Å; D42-R51 IonicContact OD2-NE 2.7Å; D42-R51 PolarHBondContact OD2-NE 3.35Å; D42-R51 IonicContact OD2-NH2 3.76Å; D42-R51 PolarHBondContact OD2-NH2 3.46Å; R51-G221 PolarHBondContact NH1-O 3.12Å
52I91.6Very high89.3Confident22 Ų2248.2 Ų48.211%0.11325%0.247CC..EExtended strand (participates in β ladder)trans-105.8136.2172.1-166.6167.1000110.8L9 L11 L41 D42 L45L9-I52 HydrophobicContact CB-CG1 4.46Å; L9-I52 HydrophobicContact CD2-CD1 4.37Å; L9-I52 WeakPolarHBondContact O-CA 3.31Å; L9-I52 WeakPolarHBondContact O-CG1 3.46Å; L11-I52 HydrophobicContact CB-CD1 3.96Å; L11-I52 HydrophobicContact CB-CG1 4Å; L11-I52 HydrophobicContact CD2-CD1 3.89Å; L11-I52 HydrophobicContact CG-CD1 4.44Å; L41-I52 HydrophobicContact CD2-CD1 3.39Å; L41-I52 HydrophobicContact CD2-CG2 4.22Å; L41-I52 HydrophobicContact CG-CD1 4.46Å; L41-I52 HydrophobicContact CG-CG2 4.34Å; D42-I52 HydrophobicContact CB-CG2 3.87Å; D42-I52 PolarHBondContact OD1-N 2.86Å; L45-I52 HydrophobicContact CD1-CB 3.86Å; L45-I52 HydrophobicContact CD1-CD1 4.43Å; L45-I52 HydrophobicContact CD1-CG2 4.16Å
53S87.7Confident89.2Confident29 Ų2955.5 Ų55.520%0.20328%0.278CS..EExtended strand (participates in β ladder)trans-122.7122.4178.5-174.50000110.5L9 L11 I55L9-S53 PolarHBondContact O-N 3.28Å; L11-S53 PolarHBondContact N-O 2.89Å; S53-I55 PolarHBondContact O-N 2.86Å
54L90.8Very high89.4Confident56 Ų5652.2 Ų52.229%0.29326%0.261SS..EExtended strand (participates in β ladder)trans-78.6101.9173.9-179.666000109.6L11 L13 L35 L38 H56 A57L11-L54 HydrophobicContact CD2-CD1 4.29Å; L11-L54 HydrophobicContact CG-CD1 4.34Å; L13-L54 HydrophobicContact CB-CD1 3.68Å; L13-L54 HydrophobicContact CD2-CD1 4.38Å; L35-L54 HydrophobicContact CD2-CD2 3.72Å; L38-L54 HydrophobicContact CD1-CB 4.25Å; L38-L54 HydrophobicContact CD1-CD1 3.99Å; L38-L54 HydrophobicContact CD1-CD2 3.91Å; L38-L54 HydrophobicContact CD1-CG 4.27Å; L54-H56 WeakPolarHBondContact CD1-O 3.3Å; L54-A57 HydrophobicContact CD1-CB 4.26Å; L54-A57 HydrophobicContact CD2-CB 4.17Å
55I85.3Confident89.3Confident65 Ų6559 Ų5933%0.33329%0.286SS..EExtended strand (participates in β ladder)trans-87.6-26.3-179.565.1157.1000112.9E10 L11 S53 F91 N92E10-I55 HydrophobicContact CB-CD1 4.33Å; E10-I55 HydrophobicContact CB-CG2 3.86Å; E10-I55 HydrophobicContact CG-CG2 4.07Å; L11-I55 VanDerWaalsContact O-CG1 3.25Å; L11-I55 WeakPolarHBondContact O-CG1 3.4Å; L11-I55 PolarHBondContact O-N 2.78Å; S53-I55 PolarHBondContact O-N 2.86Å; I55-F91 WeakPolarHBondContact CD1-O 3.47Å; I55-N92 HydrophobicContact CD1-CB 3.3Å; I55-N92 HydrophobicContact CG1-CB 4.15Å
56H87.2Confident89.3Confident61 Ų6159.2 Ų59.228%0.28229%0.287SS..EExtended strand (participates in β ladder)trans-155.6136.5-179-176.379.8000110.5N12 L13 F14 L54N12-H56 WeakPolarHBondContact OD1-CB 3.3Å; N12-H56 PolarHBondContact OD1-CD2 3.42Å; L13-H56 PolarHBondContact N-O 3.38Å; F14-H56 AromaticContact CE1-CD2 3.84Å; F14-H56 AromaticContact CE1-NE2 3.97Å; L54-H56 WeakPolarHBondContact CD1-O 3.3Å
57A92Very high89.6Confident32 Ų3263 Ų6326%0.26430%0.303SS..EExtended strand (participates in β ladder)trans-132131.5170.700000110.2L13 F31 L54 F59L13-A57 HydrophobicContact CB-CB 4.34Å; L13-A57 CarbonylContact O-C 3.33Å; L13-A57 VanDerWaalsContact O-CA 3.26Å; L13-A57 WeakPolarHBondContact O-CA 3.14Å; F31-A57 HydrophobicContact CE2-CB 4.45Å; L54-A57 HydrophobicContact CD1-CB 4.26Å; L54-A57 HydrophobicContact CD2-CB 4.17Å; A57-F59 HydrophobicContact CB-CE2 4.2Å
58E91.7Very high89.9Confident34 Ų3458.8 Ų58.816%0.15929%0.285CS..EExtended strand (participates in β ladder)trans-125.8130.1172.3-152.7-170.5158.600111.8L13 F14 I15 W60 R65L13-E58 PolarHBondContact O-N 3.04Å; F14-E58 WeakPolarHBondContact CA-O 3.17Å; F14-E58 HydrophobicContact CD1-CB 3.64Å; F14-E58 HydrophobicContact CE1-CB 3.89Å; I15-E58 PolarHBondContact N-O 2.84Å; E58-W60 VanDerWaalsContact OE1-CD1 3.27Å; E58-W60 PolarHBondContact OE1-NE1 3.35Å; E58-W60 PolarHBondContact OE2-NE1 2.89Å; E58-R65 VanDerWaalsContact CD-CZ 3.5Å; E58-R65 VanDerWaalsContact CD-NE 3.32Å; E58-R65 IonicContact OE1-CZ 2.99Å; E58-R65 IonicContact OE1-NE 3.25Å; E58-R65 PolarHBondContact OE1-NE 2.7Å; E58-R65 IonicContact OE1-NH2 2.85Å; E58-R65 PolarHBondContact OE1-NH2 3.1Å; E58-R65 WeakPolarHBondContact OE2-CD 3.14Å; E58-R65 IonicContact OE2-CZ 2.88Å; E58-R65 VanDerWaalsContact OE2-CZ 3.31Å; E58-R65 IonicContact OE2-NE 2.94Å; E58-R65 PolarHBondContact OE2-NE 3.19Å; E58-R65 VanDerWaalsContact OE2-NE 3.12Å; E58-R65 IonicContact OE2-NH1 3.56Å; E58-R65 IonicContact OE2-NH2 2.68Å
59F94.1Very high90.1Very high32 Ų3260.2 Ų60.214%0.1429%0.291CS..EExtended strand (participates in β ladder)trans-106.6107.2175.6-68.7-109.1000108.8I15 L27 M30 F31 F34 A57 L61I15-F59 HydrophobicContact CB-CD1 3.86Å; I15-F59 HydrophobicContact CB-CE1 4.21Å; I15-F59 HydrophobicContact CB-CG 4.23Å; I15-F59 HydrophobicContact CG1-CD1 3.72Å; I15-F59 HydrophobicContact CG1-CD2 4.36Å; I15-F59 HydrophobicContact CG1-CE1 3.59Å; I15-F59 HydrophobicContact CG1-CE2 4.21Å; I15-F59 HydrophobicContact CG1-CG 4.11Å; I15-F59 HydrophobicContact CG1-CZ 3.83Å; I15-F59 HydrophobicContact CG2-CD1 4.08Å; I15-F59 HydrophobicContact CG2-CE1 4.35Å; L27-F59 HydrophobicContact CD1-CB 3.65Å; L27-F59 HydrophobicContact CD1-CD1 3.76Å; L27-F59 HydrophobicContact CD1-CD2 4.21Å; L27-F59 HydrophobicContact CD1-CE1 4.48Å; L27-F59 HydrophobicContact CD1-CG 3.6Å; M30-F59 HydrophobicContact CB-CE1 4.36Å; M30-F59 HydrophobicContact CE-CD1 3.92Å; M30-F59 HydrophobicContact CE-CE1 4.37Å; M30-F59 HydrophobicContact CG-CD1 4.3Å; M30-F59 HydrophobicContact CG-CE1 3.82Å; M30-F59 HydrophobicContact SD-CD1 3.82Å; M30-F59 HydrophobicContact SD-CE1 3.93Å; F31-F59 HydrophobicContact CB-CZ 4.21Å; F31-F59 AromaticContact CD2-CE2 3.71Å; F31-F59 HydrophobicContact CD2-CE2 3.71Å; F31-F59 AromaticContact CD2-CZ 3.92Å; F31-F59 HydrophobicContact CD2-CZ 3.92Å; F31-F59 HydrophobicContact CE2-CE2 4.49Å; F34-F59 AromaticContact CD2-CE1 3.73Å; F34-F59 HydrophobicContact CD2-CE1 3.73Å; F34-F59 AromaticContact CD2-CZ 3.84Å; F34-F59 HydrophobicContact CD2-CZ 3.84Å; F34-F59 AromaticContact CE2-CE1 3.96Å; F34-F59 HydrophobicContact CE2-CE1 3.96Å; F34-F59 HydrophobicContact CE2-CZ 4.47Å; A57-F59 HydrophobicContact CB-CE2 4.2Å; F59-L61 HydrophobicContact CB-CD2 4.44Å; F59-L61 PolarHBondContact O-N 3.06Å
60W93Very high90.2Very high7 Ų762.8 Ų62.83%0.02731%0.311CS..  trans-81.581.2-174.6-62.4-24.5000111.4F14 I15 K17 E58 L62 N64 R65 V66 L97F14-W60 HydrophobicContact CB-CH2 3.97Å; F14-W60 HydrophobicContact CB-CZ2 3.81Å; F14-W60 AromaticContact CD1-CZ2 3.89Å; F14-W60 HydrophobicContact CD1-CZ2 3.89Å; F14-W60 HydrophobicContact CD2-CH2 4.39Å; F14-W60 HydrophobicContact CD2-CZ2 4.09Å; F14-W60 HydrophobicContact CE1-CZ2 4.46Å; F14-W60 HydrophobicContact CG-CH2 4.17Å; F14-W60 AromaticContact CG-CZ2 3.67Å; F14-W60 HydrophobicContact CG-CZ2 3.67Å; I15-W60 WeakPolarHBondContact O-CB 3.32Å; I15-W60 PolarHBondContact O-N 3.37Å; K17-W60 WeakPolarHBondContact CA-O 3.38Å; K17-W60 WeakPolarHBondContact CB-O 3.49Å; K17-W60 PolarHBondContact N-O 2.92Å; E58-W60 VanDerWaalsContact OE1-CD1 3.27Å; E58-W60 PolarHBondContact OE1-NE1 3.35Å; E58-W60 PolarHBondContact OE2-NE1 2.89Å; W60-L62 PolarHBondContact O-N 3.04Å; W60-N64 HydrophobicContact CD2-CB 4.44Å; W60-N64 HydrophobicContact CE3-CB 3.6Å; W60-N64 HydrophobicContact CZ3-CB 4Å; W60-R65 HydrophobicContact CH2-CB 4.5Å; W60-R65 HydrophobicContact CZ2-CB 3.87Å; W60-R65 HydrophobicContact CZ2-CG 4.44Å; W60-V66 HydrophobicContact CH2-CB 3.75Å; W60-V66 HydrophobicContact CH2-CG2 3.62Å; W60-V66 HydrophobicContact CZ2-CG2 4.28Å; W60-V66 HydrophobicContact CZ3-CB 4.08Å; W60-V66 HydrophobicContact CZ3-CG2 4.44Å; W60-L97 HydrophobicContact CE3-CD1 4.32Å; W60-L97 HydrophobicContact CH2-CD1 3.96Å; W60-L97 HydrophobicContact CZ3-CD1 3.62Å; W60-L97 HydrophobicContact CZ3-CD2 4.28Å
61L86.8Confident90.2Very high91 Ų9168.5 Ų68.548%0.47634%0.338SS..SBendtrans-71.4-32.2-173-58179.6000115.2A20 L27 M30 F59A20-L61 HydrophobicContact CB-CD2 3.97Å; L27-L61 HydrophobicContact CD1-CD2 4.48Å; L27-L61 HydrophobicContact CD2-CD1 4.43Å; M30-L61 HydrophobicContact CE-CD2 4.47Å; F59-L61 HydrophobicContact CB-CD2 4.44Å; F59-L61 PolarHBondContact O-N 3.06Å
62L88.5Confident90.2Very high166 Ų16667 Ų6787%0.86933%0.333SS*.SBendtrans-105.1-43.2-173.1-63.3175.3000113W60W60-L62 PolarHBondContact O-N 3.04Å
63K92.3Very high90.2Very high170 Ų17070 Ų7074%0.73935%0.348SS*.  trans-153.4133.1-174.4-176.6-176.1175.8-176.40110.1
64N93.7Very high90.4Very high24 Ų2470 Ų7013%0.12835%0.35CS..  trans-68.7134.2174.2-59.5-15.3000110.5D16 K17 W60 V66 V68D16-N64 VanDerWaalsContact OD1-CG 3.23Å; D16-N64 PolarHBondContact OD1-ND2 3.17Å; D16-N64 PolarHBondContact OD1-OD1 2.94Å; K17-N64 WeakPolarHBondContact CB-OD1 3.4Å; K17-N64 WeakPolarHBondContact CG-OD1 3.35Å; K17-N64 PolarHBondContact N-OD1 2.9Å; W60-N64 HydrophobicContact CD2-CB 4.44Å; W60-N64 HydrophobicContact CE3-CB 3.6Å; W60-N64 HydrophobicContact CZ3-CB 4Å; N64-V66 VanDerWaalsContact C-N 3.29Å; N64-V66 WeakPolarHBondContact CB-O 3.26Å; N64-V68 WeakPolarHBondContact ND2-CG2 3.47Å
65R92.1Very high90.6Very high160 Ų16067.4 Ų67.460%0.60434%0.337SS*.SBendtrans-74.1-26.7172.4-63-167.5-175.7-161.57.3112E58 W60 F82E58-R65 VanDerWaalsContact CD-CZ 3.5Å; E58-R65 VanDerWaalsContact CD-NE 3.32Å; E58-R65 IonicContact OE1-CZ 2.99Å; E58-R65 IonicContact OE1-NE 3.25Å; E58-R65 PolarHBondContact OE1-NE 2.7Å; E58-R65 IonicContact OE1-NH2 2.85Å; E58-R65 PolarHBondContact OE1-NH2 3.1Å; E58-R65 WeakPolarHBondContact OE2-CD 3.14Å; E58-R65 IonicContact OE2-CZ 2.88Å; E58-R65 VanDerWaalsContact OE2-CZ 3.31Å; E58-R65 IonicContact OE2-NE 2.94Å; E58-R65 PolarHBondContact OE2-NE 3.19Å; E58-R65 VanDerWaalsContact OE2-NE 3.12Å; E58-R65 IonicContact OE2-NH1 3.56Å; E58-R65 IonicContact OE2-NH2 2.68Å; W60-R65 HydrophobicContact CH2-CB 4.5Å; W60-R65 HydrophobicContact CZ2-CB 3.87Å; W60-R65 HydrophobicContact CZ2-CG 4.44Å; R65-F82 HydrophobicContact CB-CE2 4.11Å; R65-F82 HydrophobicContact CB-CZ 4.22Å
66V92.2Very high91Very high6 Ų664.4 Ų64.44%0.03632%0.321CS..SBendtrans-104.5137.7173.4-179.10000109.2W60 N64 V68 N78 L79 F82W60-V66 HydrophobicContact CH2-CB 3.75Å; W60-V66 HydrophobicContact CH2-CG2 3.62Å; W60-V66 HydrophobicContact CZ2-CG2 4.28Å; W60-V66 HydrophobicContact CZ3-CB 4.08Å; W60-V66 HydrophobicContact CZ3-CG2 4.44Å; N64-V66 VanDerWaalsContact C-N 3.29Å; N64-V66 WeakPolarHBondContact CB-O 3.26Å; V66-V68 PolarHBondContact O-N 2.74Å; V66-N78 HydrophobicContact CG1-CB 3.67Å; V66-L79 HydrophobicContact CG1-CB 4.39Å; V66-L79 HydrophobicContact CG2-CD1 4.11Å; V66-F82 HydrophobicContact CG2-CB 3.65Å; V66-F82 HydrophobicContact CG2-CD1 3.83Å; V66-F82 HydrophobicContact CG2-CD2 3.96Å; V66-F82 HydrophobicContact CG2-CE1 4.47Å; V66-F82 HydrophobicContact CG2-CG 3.53Å
67K92.9Very high91.4Very high136 Ų13663.9 Ų63.959%0.59132%0.322SS*.  trans-71.9111175.8-172.7179178.3-144.80109.3E69 N78K67-E69 WeakPolarHBondContact CD-OE1 3.12Å; K67-E69 WeakPolarHBondContact CE-OE1 3.48Å; K67-E69 IonicContact NZ-OE1 2.64Å; K67-E69 PolarHBondContact NZ-OE1 3.1Å; K67-E69 IonicContact NZ-OE2 3.37Å; K67-E69 PolarHBondContact NZ-OE2 2.91Å; K67-N78 PolarHBondContact O-ND2 3.46Å
68V90.4Very high91.5Very high33 Ų3364.3 Ų64.320%0.232%0.32CS..  trans-83.8119.3173.3179.90000108.4N64 V66 T75N64-V68 WeakPolarHBondContact ND2-CG2 3.47Å; V66-V68 PolarHBondContact O-N 2.74Å; V68-T75 HydrophobicContact CB-CG2 4.36Å; V68-T75 HydrophobicContact CG1-CG2 4.23Å; V68-T75 HydrophobicContact CG2-CG2 4.21Å
69E91Very high91.6Very high46 Ų4662.7 Ų62.722%0.21531%0.313CS..  trans-100.7162.2-179.1-59.1-71.6-175.300110.4K67 E71 A74 T75K67-E69 WeakPolarHBondContact CD-OE1 3.12Å; K67-E69 WeakPolarHBondContact CE-OE1 3.48Å; K67-E69 IonicContact NZ-OE1 2.64Å; K67-E69 PolarHBondContact NZ-OE1 3.1Å; K67-E69 IonicContact NZ-OE2 3.37Å; K67-E69 PolarHBondContact NZ-OE2 2.91Å; E69-E71 PolarHBondContact O-N 3.08Å; E69-A74 HydrophobicContact CB-CB 3.99Å; E69-A74 HydrophobicContact CG-CB 3.95Å; E69-T75 PolarHBondContact N-OG1 3.34Å; E69-T75 PolarHBondContact O-OG1 3.12Å
70P85.4Confident91.6Very high109 Ų10961.7 Ų61.771%0.70831%0.31SS*.SBendtrans-59.8-37.7170.7-23.434.3000112.3
71E87.5Confident91.5Very high120 Ų12066.8 Ų66.856%0.56133%0.332SS*.SBendtrans-82.1121.2174.8-172.1-179.5177.100110.4E69 L73 A74 T75E69-E71 PolarHBondContact O-N 3.08Å; E71-L73 VanDerWaalsContact C-N 3.34Å; E71-L73 HydrophobicContact CG-CB 4.4Å; E71-L73 PolarHBondContact O-N 2.62Å; E71-A74 HydrophobicContact CB-CB 4.15Å; E71-A74 HydrophobicContact CG-CB 4.5Å; E71-A74 PolarHBondContact O-N 3.48Å; E71-T75 PolarHBondContact O-N 3.39Å; E71-T75 PolarHBondContact O-OG1 2.88Å
72M89.1Confident91.6Very high9 Ų964.8 Ų64.84%0.04432%0.32CS..Hα-helixtrans-62.7-38.8-177.6-69.6-113.2-58.100112.5A74 T75 L76 R105 T106 V109 L123 V125M72-A74 VanDerWaalsContact C-N 3.35Å; M72-A74 PolarHBondContact O-N 2.93Å; M72-T75 WeakPolarHBondContact O-CB 3.28Å; M72-T75 PolarHBondContact O-N 3.42Å; M72-T75 VanDerWaalsContact O-N 3.16Å; M72-L76 PolarHBondContact O-N 3.44Å; M72-R105 HydrophobicContact SD-CB 4.47Å; M72-T106 WeakPolarHBondContact CE-O 3.49Å; M72-T106 WeakPolarHBondContact CE-OG1 3.03Å; M72-T106 WeakPolarHBondContact CG-OG1 3.49Å; M72-V109 HydrophobicContact CB-CB 4.31Å; M72-V109 HydrophobicContact CB-CG2 3.67Å; M72-V109 HydrophobicContact CE-CB 4.08Å; M72-V109 HydrophobicContact CE-CG2 3.56Å; M72-L123 HydrophobicContact CB-CD2 3.99Å; M72-L123 HydrophobicContact CE-CD2 4.19Å; M72-L123 HydrophobicContact CE-CG 4.38Å; M72-L123 HydrophobicContact CG-CD2 4.24Å; M72-L123 HydrophobicContact SD-CD2 3.58Å; M72-L123 VanDerWaalsContact SD-CD2 3.58Å; M72-L123 HydrophobicContact SD-CG 4.12Å; M72-V125 HydrophobicContact CE-CG2 4.05Å; M72-V125 HydrophobicContact SD-CG2 3.66Å
73L90.5Very high91.5Very high84 Ų8458 Ų5844%0.4428%0.284SS..Hα-helixtrans-63.3-40.8178.2-174.564.9000111.7E71 T75 L76 V77 V109E71-L73 VanDerWaalsContact C-N 3.34Å; E71-L73 HydrophobicContact CG-CB 4.4Å; E71-L73 PolarHBondContact O-N 2.62Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 PolarHBondContact O-N 2.97Å; L73-L76 PolarHBondContact O-N 2.69Å; L73-V77 WeakPolarHBondContact O-CG2 3.13Å; L73-V77 PolarHBondContact O-N 3.03Å; L73-V109 HydrophobicContact CD1-CG1 4.23Å
74A92.9Very high91.2Very high30 Ų3052.9 Ų52.925%0.24827%0.274CS..Hα-helixtrans-63-38.3175.200000111.7E69 E71 M72 V77 N78E69-A74 HydrophobicContact CB-CB 3.99Å; E69-A74 HydrophobicContact CG-CB 3.95Å; E71-A74 HydrophobicContact CB-CB 4.15Å; E71-A74 HydrophobicContact CG-CB 4.5Å; E71-A74 PolarHBondContact O-N 3.48Å; M72-A74 VanDerWaalsContact C-N 3.35Å; M72-A74 PolarHBondContact O-N 2.93Å; A74-V77 PolarHBondContact O-N 3.43Å; A74-N78 VanDerWaalsContact O-CG 3.24Å; A74-N78 PolarHBondContact O-N 2.95Å; A74-N78 PolarHBondContact O-ND2 3.16Å
75T93.9Very high90.6Very high1 Ų161.4 Ų61.41%0.00630%0.304CS..Hα-helixtrans-63.9-44.1173-56.60000111.8V68 E69 E71 M72 L73 V77 N78 L79 L97 L123V68-T75 HydrophobicContact CB-CG2 4.36Å; V68-T75 HydrophobicContact CG1-CG2 4.23Å; V68-T75 HydrophobicContact CG2-CG2 4.21Å; E69-T75 PolarHBondContact N-OG1 3.34Å; E69-T75 PolarHBondContact O-OG1 3.12Å; E71-T75 PolarHBondContact O-N 3.39Å; E71-T75 PolarHBondContact O-OG1 2.88Å; M72-T75 WeakPolarHBondContact O-CB 3.28Å; M72-T75 PolarHBondContact O-N 3.42Å; M72-T75 VanDerWaalsContact O-N 3.16Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 PolarHBondContact O-N 2.97Å; T75-V77 PolarHBondContact O-N 2.85Å; T75-N78 WeakPolarHBondContact O-CB 3.36Å; T75-N78 PolarHBondContact O-N 2.92Å; T75-L79 PolarHBondContact O-N 3.27Å; T75-L97 HydrophobicContact CG2-CD2 4.16Å; T75-L123 HydrophobicContact CG2-CD1 4.24Å; T75-L123 HydrophobicContact CG2-CD2 3.84Å
76L94.6Very high89.4Confident1 Ų155.9 Ų55.91%0.00528%0.284CS..Hα-helixtrans-61.5-44.2177.5-176.967.3000111.6M72 L73 N78 L79 A80 V109 F111 T121M72-L76 PolarHBondContact O-N 3.44Å; L73-L76 PolarHBondContact O-N 2.69Å; L76-N78 VanDerWaalsContact C-N 3.3Å; L76-N78 PolarHBondContact O-N 3.22Å; L76-L79 WeakPolarHBondContact O-CB 3.36Å; L76-L79 PolarHBondContact O-N 2.81Å; L76-L79 VanDerWaalsContact O-N 3.09Å; L76-A80 PolarHBondContact O-N 2.04Å; L76-V109 HydrophobicContact CB-CG1 4.43Å; L76-V109 HydrophobicContact CD2-CG1 3.75Å; L76-F111 HydrophobicContact CD1-CD2 4.44Å; L76-F111 HydrophobicContact CD1-CE2 4.47Å; L76-F111 HydrophobicContact CD2-CD1 4.29Å; L76-F111 HydrophobicContact CD2-CD2 3.71Å; L76-F111 HydrophobicContact CD2-CE1 4.21Å; L76-F111 HydrophobicContact CD2-CE2 3.65Å; L76-F111 HydrophobicContact CD2-CG 4.05Å; L76-F111 HydrophobicContact CD2-CZ 3.9Å; L76-F111 HydrophobicContact CG-CD2 3.93Å; L76-F111 HydrophobicContact CG-CE2 3.6Å; L76-F111 HydrophobicContact CG-CZ 4.14Å; L76-T121 WeakPolarHBondContact CD1-OG1 3.33Å
77V94.7Very high87.6Confident50 Ų5060.7 Ų60.730%0.30331%0.314SS..Hα-helixtrans-61.6-39.1175.4170.90000111.4L73 A74 T75 L79 K81 F111L73-V77 WeakPolarHBondContact O-CG2 3.13Å; L73-V77 PolarHBondContact O-N 3.03Å; A74-V77 PolarHBondContact O-N 3.43Å; T75-V77 PolarHBondContact O-N 2.85Å; V77-L79 VanDerWaalsContact C-N 3.31Å; V77-K81 HydrophobicContact CG1-CD 4.24Å; V77-K81 WeakPolarHBondContact O-CB 3.29Å; V77-K81 VanDerWaalsContact O-CG 3.31Å; V77-K81 WeakPolarHBondContact O-CG 3.35Å; V77-K81 PolarHBondContact O-N 2.79Å; V77-F111 HydrophobicContact CG2-CZ 4.13Å
78N94.7Very high85.5Confident42 Ų4262.8 Ų62.823%0.22532%0.323CS..Hα-helixtrans-64.7-37.1174.7-70.9-23.8000111.8V66 K67 A74 T75 L76 F82V66-N78 HydrophobicContact CG1-CB 3.67Å; K67-N78 PolarHBondContact O-ND2 3.46Å; A74-N78 VanDerWaalsContact O-CG 3.24Å; A74-N78 PolarHBondContact O-N 2.95Å; A74-N78 PolarHBondContact O-ND2 3.16Å; T75-N78 WeakPolarHBondContact O-CB 3.36Å; T75-N78 PolarHBondContact O-N 2.92Å; L76-N78 VanDerWaalsContact C-N 3.3Å; L76-N78 PolarHBondContact O-N 3.22Å; N78-F82 WeakPolarHBondContact O-CB 3.31Å; N78-F82 PolarHBondContact O-N 2.03Å
79L94.3Very high83.7Confident0 Ų069.2 Ų69.20%036%0.356CS..Hα-helixtrans-67.4-46.4176-177.663.7000111.9F14 V66 T75 L76 V77 K81 F82 Q83 T95 L97 T121F14-L79 HydrophobicContact CD2-CD1 3.99Å; F14-L79 HydrophobicContact CE2-CD1 4.4Å; V66-L79 HydrophobicContact CG1-CB 4.39Å; V66-L79 HydrophobicContact CG2-CD1 4.11Å; T75-L79 PolarHBondContact O-N 3.27Å; L76-L79 WeakPolarHBondContact O-CB 3.36Å; L76-L79 PolarHBondContact O-N 2.81Å; L76-L79 VanDerWaalsContact O-N 3.09Å; V77-L79 VanDerWaalsContact C-N 3.31Å; L79-K81 VanDerWaalsContact C-N 3.32Å; L79-K81 PolarHBondContact O-N 3.49Å; L79-F82 CarbonylContact O-C 3.55Å; L79-F82 WeakPolarHBondContact O-CA 3.39Å; L79-F82 WeakPolarHBondContact O-CB 3.39Å; L79-F82 PolarHBondContact O-N 2.87Å; L79-Q83 PolarHBondContact O-N 3.41Å; L79-T95 HydrophobicContact CD1-CG2 3.95Å; L79-T95 HydrophobicContact CD2-CG2 4.36Å; L79-T95 HydrophobicContact CG-CG2 4.26Å; L79-L97 HydrophobicContact CD1-CB 4.36Å; L79-L97 HydrophobicContact CD2-CB 3.57Å; L79-L97 HydrophobicContact CD2-CD2 4.43Å; L79-T121 HydrophobicContact CD2-CG2 4.39Å; L79-T121 HydrophobicContact CG-CG2 4.13Å
80A92.2Very high82.2Confident10 Ų1070.4 Ų70.48%0.08336%0.362CS..Hα-helixtrans-59.4-42.3175.100000111.8L76 F82 Q83 A84 F111 T121L76-A80 PolarHBondContact O-N 2.04Å; A80-F82 VanDerWaalsContact C-N 3.29Å; A80-F82 PolarHBondContact O-N 3.12Å; A80-Q83 PolarHBondContact O-N 2.75Å; A80-A84 WeakPolarHBondContact O-CB 3.43Å; A80-A84 PolarHBondContact O-N 3.37Å; A80-F111 HydrophobicContact CB-CE2 3.98Å; A80-T121 HydrophobicContact CB-CG2 4.27Å
81K91.7Very high81.5Confident114 Ų11472 Ų7250%0.49636%0.358SS..Hα-helixtrans-63-34.5173-74172.4-177171.10113V77 L79 R85V77-K81 HydrophobicContact CG1-CD 4.24Å; V77-K81 WeakPolarHBondContact O-CB 3.29Å; V77-K81 VanDerWaalsContact O-CG 3.31Å; V77-K81 WeakPolarHBondContact O-CG 3.35Å; V77-K81 PolarHBondContact O-N 2.79Å; L79-K81 VanDerWaalsContact C-N 3.32Å; L79-K81 PolarHBondContact O-N 3.49Å; K81-R85 WeakPolarHBondContact O-CD 3Å; K81-R85 VanDerWaalsContact O-CG 3.3Å; K81-R85 WeakPolarHBondContact O-CG 3.44Å
82F89.2Confident81.4Confident50 Ų5066.9 Ų66.922%0.21933%0.334CS..Hα-helixtrans-70.4-43.5176178.4-97.2000111.1F14 R65 V66 N78 L79 A80 R85F14-F82 HydrophobicContact CE2-CD1 4.08Å; F14-F82 AromaticContact CE2-CE1 3.72Å; F14-F82 HydrophobicContact CE2-CE1 3.72Å; F14-F82 HydrophobicContact CZ-CD1 4.49Å; F14-F82 AromaticContact CZ-CE1 3.7Å; F14-F82 HydrophobicContact CZ-CE1 3.7Å; R65-F82 HydrophobicContact CB-CE2 4.11Å; R65-F82 HydrophobicContact CB-CZ 4.22Å; V66-F82 HydrophobicContact CG2-CB 3.65Å; V66-F82 HydrophobicContact CG2-CD1 3.83Å; V66-F82 HydrophobicContact CG2-CD2 3.96Å; V66-F82 HydrophobicContact CG2-CE1 4.47Å; V66-F82 HydrophobicContact CG2-CG 3.53Å; N78-F82 WeakPolarHBondContact O-CB 3.31Å; N78-F82 PolarHBondContact O-N 2.03Å; L79-F82 CarbonylContact O-C 3.55Å; L79-F82 WeakPolarHBondContact O-CA 3.39Å; L79-F82 WeakPolarHBondContact O-CB 3.39Å; L79-F82 PolarHBondContact O-N 2.87Å; A80-F82 VanDerWaalsContact C-N 3.29Å; A80-F82 PolarHBondContact O-N 3.12Å; F82-R85 PolarHBondContact O-N 2.93Å
83Q87Confident81.5Confident22 Ų2266.8 Ų66.810%0.10333%0.334CS..Hα-helixtrans-59.1-47.3175.1179.16213.900111.5L79 A80 R85 K86 N92 T95 T121L79-Q83 PolarHBondContact O-N 3.41Å; A80-Q83 PolarHBondContact O-N 2.75Å; Q83-R85 PolarHBondContact O-N 2.92Å; Q83-K86 PolarHBondContact O-N 2.04Å; Q83-K86 VanDerWaalsContact O-N 3.16Å; Q83-N92 PolarHBondContact NE2-ND2 2.99Å; Q83-N92 VanDerWaalsContact NE2-ND2 3.1Å; Q83-N92 PolarHBondContact NE2-OD1 3.32Å; Q83-N92 PolarHBondContact OE1-OD1 3.27Å; Q83-T95 PolarHBondContact OE1-OG1 3.35Å; Q83-T121 HydrophobicContact CB-CG2 4.22Å; Q83-T121 HydrophobicContact CG-CG2 4.47Å
84A84.6Confident81.6Confident64 Ų6462.8 Ų62.853%0.52931%0.313SS..THydrogen-bonded Turntrans-62.4-16179.900000114.8A80 A118A80-A84 WeakPolarHBondContact O-CB 3.43Å; A80-A84 PolarHBondContact O-N 3.37Å; A84-A118 HydrophobicContact CB-CB 4.11Å
85R81.4Confident81.7Confident202 Ų20261.3 Ų61.376%0.76230%0.301SS*.THydrogen-bonded Turntrans-90.3-9.3179.8-72.2170.9-175.5-178.41.5113.8K81 F82 Q83K81-R85 WeakPolarHBondContact O-CD 3Å; K81-R85 VanDerWaalsContact O-CG 3.3Å; K81-R85 WeakPolarHBondContact O-CG 3.44Å; F82-R85 PolarHBondContact O-N 2.93Å; Q83-R85 PolarHBondContact O-N 2.92Å
86K67.8Low81.9Confident44 Ų4461.3 Ų61.319%0.19130%0.301CS..  trans-66.3148.6-178.1-74.1-176.6177.2173.60111.7N12 Q83 Q90 N92N12-K86 PolarHBondContact ND2-NZ 3.1Å; N12-K86 PolarHBondContact OD1-NZ 2Å; Q83-K86 PolarHBondContact O-N 2.04Å; Q83-K86 VanDerWaalsContact O-N 3.16Å; K86-Q90 HydrophobicContact CD-CB 4.48Å; K86-Q90 HydrophobicContact CD-CG 4.43Å; K86-N92 PolarHBondContact NZ-OD1 3.22Å; K86-N92 VanDerWaalsContact NZ-OD1 3.16Å
87T53.1Low82Confident108 Ų10861.2 Ų61.266%0.66330%0.301SS*.  trans-75.9158.8177.436.10000112.2D89 Q90T87-D89 PolarHBondContact O-N 2.73Å; T87-Q90 PolarHBondContact O-N 3.1Å; T87-Q90 VanDerWaalsContact O-N 3.08Å
88K50Low82.1Confident180 Ų18058.9 Ų58.978%0.78329%0.286SS*.THydrogen-bonded Turntrans-53.8-22.3-178.1-73.9-174.1175.4-174.70115.7Q90 F91K88-Q90 VanDerWaalsContact C-N 3.26Å; K88-Q90 PolarHBondContact O-N 3.13Å; K88-F91 HydrophobicContact CB-CE2 4.38Å; K88-F91 WeakPolarHBondContact O-CD2 3.36Å; K88-F91 VanDerWaalsContact O-CE2 3.27Å; K88-F91 WeakPolarHBondContact O-CE2 3.29Å
89D51.3Low82Confident168 Ų16857 Ų5790%0.89828%0.276SS*.THydrogen-bonded Turntrans-81.2-1.7180-75.3-17.3000114T87T87-D89 PolarHBondContact O-N 2.73Å
90Q60.3Low81.9Confident70 Ų7057.2 Ų57.233%0.32728%0.278SS..  trans-125.655-177.9-151177.118.700110.4K86 T87 K88K86-Q90 HydrophobicContact CD-CB 4.48Å; K86-Q90 HydrophobicContact CD-CG 4.43Å; T87-Q90 PolarHBondContact O-N 3.1Å; T87-Q90 VanDerWaalsContact O-N 3.08Å; K88-Q90 VanDerWaalsContact C-N 3.26Å; K88-Q90 PolarHBondContact O-N 3.13Å
91F70.4Confident81.6Confident142 Ų14259.3 Ų59.362%0.62329%0.291SS*.  trans-66.6134.9169.8-87.5-80.8000109.6I55 K88I55-F91 WeakPolarHBondContact CD1-O 3.47Å; K88-F91 HydrophobicContact CB-CE2 4.38Å; K88-F91 WeakPolarHBondContact O-CD2 3.36Å; K88-F91 VanDerWaalsContact O-CE2 3.27Å; K88-F91 WeakPolarHBondContact O-CE2 3.29Å
92N85.2Confident81Confident13 Ų1355.9 Ų55.97%0.0729%0.288CS..  trans-150145.3171.272.3-106.2000107.1N12 I55 Q83 K86 I94 T95N12-N92 HydrophobicContact CB-CB 3.87Å; N12-N92 VanDerWaalsContact CB-CG 3.45Å; I55-N92 HydrophobicContact CD1-CB 3.3Å; I55-N92 HydrophobicContact CG1-CB 4.15Å; Q83-N92 PolarHBondContact NE2-ND2 2.99Å; Q83-N92 VanDerWaalsContact NE2-ND2 3.1Å; Q83-N92 PolarHBondContact NE2-OD1 3.32Å; Q83-N92 PolarHBondContact OE1-OD1 3.27Å; K86-N92 PolarHBondContact NZ-OD1 3.22Å; K86-N92 VanDerWaalsContact NZ-OD1 3.16Å; N92-I94 PolarHBondContact ND2-O 3.26Å; N92-T95 PolarHBondContact ND2-OG1 3.38Å
93D90.7Very high79.9Confident7 Ų762.7 Ų62.74%0.03732%0.32CS..SBendtrans-82.4-31.6-174.1-58.4-32.7000111.7L9 E10 V115 S120 C206L9-D93 HydrophobicContact CD1-CB 3.64Å; L9-D93 HydrophobicContact CG-CB 4.5Å; E10-D93 HydrophobicContact CB-CB 4.45Å; E10-D93 PolarHBondContact N-OD2 2.87Å; E10-D93 PolarHBondContact O-N 2.78Å; D93-V115 HydrophobicContact CB-CG2 4.5Å; D93-S120 WeakPolarHBondContact O-CB 3Å; D93-S120 PolarHBondContact O-OG 2.68Å; D93-C206 VanDerWaalsContact OD1-CB 3.29Å; D93-C206 WeakPolarHBondContact OD1-CB 3.5Å; D93-C206 PolarHBondContact OD1-SG 3.18Å
94I94.1Very high78.6Confident0 Ų069.9 Ų69.90%036%0.359CS..EExtended strand (participates in β ladder)trans-143.5141.4-178.1-171.8175000111.5L9 E10 L11 N12 N92 L96 V143 V146L9-I94 HydrophobicContact CD1-CG2 4.14Å; L9-I94 HydrophobicContact CD2-CG2 3.92Å; L9-I94 HydrophobicContact CG-CG2 3.8Å; E10-I94 PolarHBondContact O-N 3.47Å; L11-I94 HydrophobicContact CB-CG2 4.17Å; L11-I94 HydrophobicContact CD1-CG2 3.8Å; N12-I94 PolarHBondContact N-O 3.36Å; N92-I94 PolarHBondContact ND2-O 3.26Å; I94-L96 HydrophobicContact CD1-CD1 4.42Å; I94-L96 HydrophobicContact CD1-CD2 3.91Å; I94-L96 HydrophobicContact CD1-CG 4.23Å; I94-L96 HydrophobicContact CG1-CD2 4.05Å; I94-L96 HydrophobicContact CG1-CG 4.24Å; I94-V143 HydrophobicContact CD1-CG2 4.03Å; I94-V146 HydrophobicContact CD1-CB 4Å; I94-V146 HydrophobicContact CD1-CG1 3.78Å; I94-V146 HydrophobicContact CD1-CG2 4.05Å; I94-V146 HydrophobicContact CG1-CG1 4.19Å
95T94.7Very high77.5Confident0 Ų069.7 Ų69.70%035%0.345CS..EExtended strand (participates in β ladder)trans-121.2122.2174.4-71.80000111.8N12 F14 L79 Q83 N92 S120 T121 G122N12-T95 WeakPolarHBondContact ND2-CG2 3.26Å; N12-T95 PolarHBondContact ND2-OG1 2.88Å; N12-T95 CarbonylContact O-C 3.49Å; N12-T95 VanDerWaalsContact O-CA 3.26Å; N12-T95 WeakPolarHBondContact O-CA 3.23Å; F14-T95 HydrophobicContact CD2-CG2 3.75Å; F14-T95 HydrophobicContact CE2-CG2 3.71Å; L79-T95 HydrophobicContact CD1-CG2 3.95Å; L79-T95 HydrophobicContact CD2-CG2 4.36Å; L79-T95 HydrophobicContact CG-CG2 4.26Å; Q83-T95 PolarHBondContact OE1-OG1 3.35Å; N92-T95 PolarHBondContact ND2-OG1 3.38Å; T95-S120 PolarHBondContact N-O 2.66Å; T95-T121 WeakPolarHBondContact O-CA 3.33Å; T95-G122 PolarHBondContact O-N 2.97Å
96L97.6Very high76.8Confident0 Ų063.9 Ų63.90%033%0.332CS..EExtended strand (participates in β ladder)trans-115.4135.4179.8-58.8-179.8000111.1L11 N12 L13 F14 I94 G122 L139 V142 V143L11-L96 HydrophobicContact CD1-CB 4.02Å; L11-L96 HydrophobicContact CD1-CD1 3.72Å; L11-L96 HydrophobicContact CD1-CG 3.62Å; N12-L96 PolarHBondContact O-N 3.46Å; L13-L96 HydrophobicContact CD1-CB 4.37Å; F14-L96 PolarHBondContact N-O 2.86Å; I94-L96 HydrophobicContact CD1-CD1 4.42Å; I94-L96 HydrophobicContact CD1-CD2 3.91Å; I94-L96 HydrophobicContact CD1-CG 4.23Å; I94-L96 HydrophobicContact CG1-CD2 4.05Å; I94-L96 HydrophobicContact CG1-CG 4.24Å; L96-G122 WeakPolarHBondContact CA-O 3.26Å; L96-L139 HydrophobicContact CD1-CD2 3.46Å; L96-L139 VanDerWaalsContact CD1-CD2 3.46Å; L96-V142 HydrophobicContact CD2-CG1 3.93Å; L96-V143 HydrophobicContact CD1-CG2 4.18Å
97L96.9Very high77.3Confident0 Ų067.3 Ų67.30%035%0.349CS..EExtended strand (participates in β ladder)trans-113.5128.1173.417560.1000109.7F14 D16 W60 T75 L79 G122 L123 I124F14-L97 HydrophobicContact CB-CD1 3.73Å; F14-L97 CarbonylContact O-C 3.49Å; F14-L97 VanDerWaalsContact O-CA 3.29Å; F14-L97 WeakPolarHBondContact O-CA 3.29Å; F14-L97 WeakPolarHBondContact O-CD1 3.39Å; D16-L97 HydrophobicContact CB-CD1 4.43Å; W60-L97 HydrophobicContact CE3-CD1 4.32Å; W60-L97 HydrophobicContact CH2-CD1 3.96Å; W60-L97 HydrophobicContact CZ3-CD1 3.62Å; W60-L97 HydrophobicContact CZ3-CD2 4.28Å; T75-L97 HydrophobicContact CG2-CD2 4.16Å; L79-L97 HydrophobicContact CD1-CB 4.36Å; L79-L97 HydrophobicContact CD2-CB 3.57Å; L79-L97 HydrophobicContact CD2-CD2 4.43Å; L97-G122 PolarHBondContact N-O 2.94Å; L97-L123 HydrophobicContact CB-CD1 3.98Å; L97-L123 HydrophobicContact CD2-CD1 3.83Å; L97-L123 HydrophobicContact CG-CD1 3.71Å; L97-L123 WeakPolarHBondContact O-CA 3.44Å; L97-L123 WeakPolarHBondContact O-CD1 3.03Å; L97-I124 PolarHBondContact O-N 2.04Å
98F96.2Very high79.1Confident0 Ų063.6 Ų63.60%033%0.325CS..EExtended strand (participates in β ladder)trans-98.7141169.6-79.3-88.1000111.9L13 F14 I15 D16 F34 I124 I126 T135 L139L13-F98 HydrophobicContact CD1-CD2 3.55Å; L13-F98 HydrophobicContact CD1-CE2 3.57Å; F14-F98 PolarHBondContact O-N 3.4Å; I15-F98 HydrophobicContact CD1-CB 3.83Å; I15-F98 HydrophobicContact CD1-CD2 3.81Å; I15-F98 HydrophobicContact CD1-CG 4.17Å; D16-F98 WeakPolarHBondContact CB-O 3.04Å; D16-F98 PolarHBondContact N-O 2.9Å; F34-F98 HydrophobicContact CD1-CD2 4.23Å; F34-F98 HydrophobicContact CD1-CE2 4.1Å; F34-F98 HydrophobicContact CD1-CZ 4.39Å; F34-F98 HydrophobicContact CE1-CB 4.19Å; F34-F98 AromaticContact CE1-CD1 3.93Å; F34-F98 HydrophobicContact CE1-CD1 3.93Å; F34-F98 AromaticContact CE1-CD2 3.63Å; F34-F98 HydrophobicContact CE1-CD2 3.63Å; F34-F98 HydrophobicContact CE1-CE1 4.09Å; F34-F98 AromaticContact CE1-CE2 3.83Å; F34-F98 HydrophobicContact CE1-CE2 3.83Å; F34-F98 AromaticContact CE1-CG 3.64Å; F34-F98 HydrophobicContact CE1-CG 3.64Å; F34-F98 HydrophobicContact CE1-CZ 4.02Å; F34-F98 HydrophobicContact CZ-CB 4.22Å; F34-F98 HydrophobicContact CZ-CD2 4.42Å; F34-F98 HydrophobicContact CZ-CG 4.16Å; F98-I124 CarbonylContact C-O 3.58Å; F98-I124 VanDerWaalsContact CA-O 3.28Å; F98-I124 WeakPolarHBondContact CA-O 3.34Å; F98-I124 HydrophobicContact CD1-CB 3.66Å; F98-I124 HydrophobicContact CD1-CG2 3.61Å; F98-I124 HydrophobicContact CE1-CB 3.59Å; F98-I124 HydrophobicContact CE1-CD1 3.96Å; F98-I124 HydrophobicContact CE1-CG1 4.38Å; F98-I124 HydrophobicContact CE1-CG2 3.27Å; F98-I124 HydrophobicContact CE2-CD1 4.26Å; F98-I124 HydrophobicContact CG-CB 4.4Å; F98-I124 HydrophobicContact CZ-CB 4.22Å; F98-I124 HydrophobicContact CZ-CD1 3.73Å; F98-I124 HydrophobicContact CZ-CG2 4.17Å; F98-I126 HydrophobicContact CB-CD1 4.16Å; F98-I126 HydrophobicContact CB-CG1 4.19Å; F98-I126 HydrophobicContact CD1-CD1 4.06Å; F98-I126 HydrophobicContact CD1-CG1 3.4Å; F98-I126 HydrophobicContact CE1-CG1 4.11Å; F98-I126 HydrophobicContact CG-CD1 4.42Å; F98-I126 HydrophobicContact CG-CG1 4.18Å; F98-T135 HydrophobicContact CE1-CG2 3.58Å; F98-T135 HydrophobicContact CZ-CG2 3.61Å; F98-L139 HydrophobicContact CE2-CD2 3.85Å; F98-L139 HydrophobicContact CE2-CG 4.4Å; F98-L139 HydrophobicContact CZ-CD1 4.12Å; F98-L139 HydrophobicContact CZ-CD2 3.63Å; F98-L139 HydrophobicContact CZ-CG 3.74Å
99T94.1Very high81.1Confident2 Ų256.4 Ų56.41%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-131.6158175175.40000111.7D16 R105 L123 I124 V125 I126D16-T99 PolarHBondContact OD2-OG1 3.11Å; D16-T99 VanDerWaalsContact OD2-OG1 3.14Å; T99-R105 PolarHBondContact OG1-NH1 3.39Å; T99-L123 HydrophobicContact CG2-CD1 3.9Å; T99-L123 HydrophobicContact CG2-CG 4.36Å; T99-I124 PolarHBondContact N-O 2.77Å; T99-V125 HydrophobicContact CG2-CB 4.42Å; T99-V125 HydrophobicContact CG2-CG2 3.77Å; T99-V125 WeakPolarHBondContact O-CA 3.11Å; T99-I126 PolarHBondContact O-N 2.93Å
100A90.8Very high83.2Confident5 Ų551 Ų514%0.04126%0.263CS..  trans-73.9154.4172.600000112.3D18 V19 W22 R105D18-A100 HydrophobicContact CB-CB 4.07Å; D18-A100 WeakPolarHBondContact O-CB 3.5Å; V19-A100 HydrophobicContact CG2-CB 4.49Å; W22-A100 HydrophobicContact CB-CB 3.68Å; W22-A100 HydrophobicContact CG-CB 4.01Å; A100-R105 PolarHBondContact O-NH1 3.05Å
101P87.1Confident84.9Confident54 Ų5449.9 Ų49.935%0.35126%0.258SS..  trans-55.4143.6169.1-27.236000113.1W22 V125 I126W22-P101 HydrophobicContact CD2-CG 4.37Å; W22-P101 HydrophobicContact CH2-CG 4.36Å; W22-P101 HydrophobicContact CZ2-CG 3.75Å; P101-V125 HydrophobicContact CB-CG1 4.21Å; P101-V125 HydrophobicContact CG-CG1 4Å; P101-I126 VanDerWaalsContact CD-O 3.27Å; P101-I126 WeakPolarHBondContact CD-O 3.37Å; P101-I126 WeakPolarHBondContact CG-O 3.03Å
102G79.2Confident85.9Confident42 Ų4245 Ų4543%0.43325%0.247SC..  trans-149.9170.5175.500000111N104G102-N104 PolarHBondContact O-N 2.79Å
103Q65.1Low86.2Confident193 Ų19348.9 Ų48.990%0.90227%0.267SS*.THydrogen-bonded Turntrans-62.7134.8176.8-67.6-170.1-23.800110.9R105Q103-R105 PolarHBondContact O-N 3.46Å; Q103-R105 VanDerWaalsContact O-N 3.1Å
104N60.7Low86.4Confident173 Ų17348.8 Ų48.893%0.92527%0.267SS*.THydrogen-bonded Turntrans55.221.9176.8-63.8-10.7000115.8G102G102-N104 PolarHBondContact O-N 2.79Å
105R61.6Low86.2Confident60 Ų6048.9 Ų48.923%0.22627%0.268CS..  trans-79.7128.4170.8-72.4-173.4168.4179.4-9.8109.2M72 T99 A100 Q103 V125M72-R105 HydrophobicContact SD-CB 4.47Å; T99-R105 PolarHBondContact OG1-NH1 3.39Å; A100-R105 PolarHBondContact O-NH1 3.05Å; Q103-R105 PolarHBondContact O-N 3.46Å; Q103-R105 VanDerWaalsContact O-N 3.1Å; R105-V125 HydrophobicContact CB-CG2 4.39Å
106T65.3Low85.7Confident81 Ų8149.9 Ų49.950%0.49728%0.275SS..  trans-58.2151160410000108.7M72 V125M72-T106 WeakPolarHBondContact CE-O 3.49Å; M72-T106 WeakPolarHBondContact CE-OG1 3.03Å; M72-T106 WeakPolarHBondContact CG-OG1 3.49Å; T106-V125 VanDerWaalsContact O-CG2 3.26Å; T106-V125 WeakPolarHBondContact O-CG2 3.03Å
107E79.4Confident85.2Confident115 Ų11553 Ų5354%0.53729%0.294SS..SBendtrans-78.2-34.9-174.7-67.5-178.3166.400112.3V125E107-V125 WeakPolarHBondContact O-CB 3.47Å; E107-V125 WeakPolarHBondContact O-CG2 3.27Å; E107-V125 PolarHBondContact O-N 2.77Å
108L90.3Very high84.5Confident30 Ų3055.8 Ų55.816%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-142.1134.6-171.7-52.1171.3000109.8Y110 I124 Q138 Y141 V142 L170L108-Y110 HydrophobicContact CB-CE1 4.47Å; L108-I124 HydrophobicContact CD2-CB 4.08Å; L108-I124 HydrophobicContact CD2-CG1 3.88Å; L108-I124 HydrophobicContact CD2-CG2 3.66Å; L108-Q138 HydrophobicContact CD2-CB 3.98Å; L108-Q138 HydrophobicContact CD2-CG 4.13Å; L108-Y141 HydrophobicContact CD1-CD1 3.69Å; L108-Y141 HydrophobicContact CD1-CE1 3.9Å; L108-Y141 HydrophobicContact CD1-CG 4.4Å; L108-V142 HydrophobicContact CB-CG2 4.23Å; L108-V142 HydrophobicContact CD1-CG2 4.41Å; L108-V142 HydrophobicContact CD2-CG2 4.05Å; L108-V142 HydrophobicContact CG-CG2 4.47Å; L108-L170 HydrophobicContact CD1-CD2 4.45Å
109V92.9Very high84.2Confident29 Ų2961 Ų6118%0.17634%0.342CS..EExtended strand (participates in β ladder)trans-143.8136.9170.3-179.40000109.2M72 L73 L76 L123M72-V109 HydrophobicContact CB-CB 4.31Å; M72-V109 HydrophobicContact CB-CG2 3.67Å; M72-V109 HydrophobicContact CE-CB 4.08Å; M72-V109 HydrophobicContact CE-CG2 3.56Å; L73-V109 HydrophobicContact CD1-CG1 4.23Å; L76-V109 HydrophobicContact CB-CG1 4.43Å; L76-V109 HydrophobicContact CD2-CG1 3.75Å; V109-L123 PolarHBondContact N-O 3.36Å; V109-L123 PolarHBondContact O-N 3.25Å
110Y95.2Very high84.2Confident54 Ų5461 Ų6121%0.21234%0.342CS..EExtended strand (participates in β ladder)trans-154.2162.1-173.945.4-94.1000110.8L108 Y141 V142 H145L108-Y110 HydrophobicContact CB-CE1 4.47Å; Y110-Y141 HydrophobicContact CE1-CD1 4.28Å; Y110-Y141 AromaticContact CE1-CE1 3.83Å; Y110-Y141 HydrophobicContact CE1-CE1 3.83Å; Y110-V142 HydrophobicContact CD1-CB 4.37Å; Y110-V142 HydrophobicContact CD1-CG1 4.19Å; Y110-V142 HydrophobicContact CD1-CG2 3.84Å; Y110-V142 HydrophobicContact CE1-CG2 4.35Å; Y110-V142 HydrophobicContact CG-CG1 4.29Å; Y110-H145 HydrophobicContact CD2-CB 3.53Å; Y110-H145 HydrophobicContact CE2-CB 3.21Å; Y110-H145 AromaticContact CE2-CD2 3.73Å; Y110-H145 AromaticContact CE2-CG 3.28Å; Y110-H145 AromaticContact CE2-ND1 3.75Å; Y110-H145 HydrophobicContact CG-CB 4.35Å; Y110-H145 AromaticContact CZ-CD2 3.38Å; Y110-H145 AromaticContact CZ-CG 3.48Å; Y110-H145 VanDerWaalsContact CZ-CG 3.48Å; Y110-H145 AromaticContact CZ-NE2 3.92Å; Y110-H145 PolarHBondContact OH-CD2 2.68Å; Y110-H145 PolarHBondContact OH-NE2 2.92Å; Y110-H145 VanDerWaalsContact OH-NE2 3.13Å
111F94.4Very high84.4Confident48 Ų4860.8 Ų60.821%0.21134%0.34CS..  trans-93.5110.1164.6-68.1-61.1000108.7L76 V77 A80 S114 E119 T121L76-F111 HydrophobicContact CD1-CD2 4.44Å; L76-F111 HydrophobicContact CD1-CE2 4.47Å; L76-F111 HydrophobicContact CD2-CD1 4.29Å; L76-F111 HydrophobicContact CD2-CD2 3.71Å; L76-F111 HydrophobicContact CD2-CE1 4.21Å; L76-F111 HydrophobicContact CD2-CE2 3.65Å; L76-F111 HydrophobicContact CD2-CG 4.05Å; L76-F111 HydrophobicContact CD2-CZ 3.9Å; L76-F111 HydrophobicContact CG-CD2 3.93Å; L76-F111 HydrophobicContact CG-CE2 3.6Å; L76-F111 HydrophobicContact CG-CZ 4.14Å; V77-F111 HydrophobicContact CG2-CZ 4.13Å; A80-F111 HydrophobicContact CB-CE2 3.98Å; F111-S114 WeakPolarHBondContact O-CB 3.46Å; F111-S114 PolarHBondContact O-OG 3.45Å; F111-E119 HydrophobicContact CB-CB 4.49Å; F111-E119 HydrophobicContact CD2-CB 4.05Å; F111-E119 VanDerWaalsContact CD2-O 3.28Å; F111-E119 WeakPolarHBondContact CD2-O 3.38Å; F111-E119 HydrophobicContact CG-CB 4.37Å; F111-T121 WeakPolarHBondContact CD2-OG1 3.45Å; F111-T121 PolarHBondContact N-O 2.99Å
112G92.1Very high84.8Confident38 Ų3858.2 Ų58.239%0.39232%0.323SS..THydrogen-bonded Turntrans-73159176.700000112.2S114 H145G112-S114 PolarHBondContact O-N 3.4Å; G112-H145 CarbonylContact C-O 3.53Å; G112-H145 WeakPolarHBondContact CA-O 3.04Å
113N92.3Very high85.6Confident95 Ų9556.3 Ų56.351%0.50830%0.303SS..THydrogen-bonded Turntrans52.136.5-179.2-62.4-60.9000113.7H145 V146 G148 L198N113-H145 PolarHBondContact N-O 3.06Å; N113-V146 PolarHBondContact N-O 2.77Å; N113-G148 WeakPolarHBondContact OD1-CA 3.45Å; N113-L198 HydrophobicContact CB-CD1 4.46Å
114S93.3Very high87Confident5 Ų547.1 Ų47.14%0.03526%0.26CS..  trans-119.70.7-168.169.60000113.6F111 G112 T117 S120 V146F111-S114 WeakPolarHBondContact O-CB 3.46Å; F111-S114 PolarHBondContact O-OG 3.45Å; G112-S114 PolarHBondContact O-N 3.4Å; S114-T117 VanDerWaalsContact O-CB 3.3Å; S114-T117 WeakPolarHBondContact O-CB 3.48Å; S114-T117 WeakPolarHBondContact O-CG2 3.38Å; S114-T117 PolarHBondContact O-N 3.36Å; S114-T117 VanDerWaalsContact O-N 3.08Å; S114-T117 PolarHBondContact O-OG1 3.23Å; S114-S120 WeakPolarHBondContact O-CB 3.34Å; S114-S120 WeakPolarHBondContact OG-CA 2.96Å; S114-V146 PolarHBondContact N-O 3.21Å; S114-V146 VanDerWaalsContact N-O 3.14Å
115V91.8Very high88.6Confident2 Ų239.4 Ų39.41%0.01222%0.219CC..THydrogen-bonded Turntrans-50.6145.5175.276.60000111.3L9 D93 T117 S120 V146 L147 L198 A204 M207L9-V115 HydrophobicContact CD1-CG2 3.78Å; D93-V115 HydrophobicContact CB-CG2 4.5Å; V115-T117 PolarHBondContact O-N 2.97Å; V115-T117 VanDerWaalsContact O-N 3.1Å; V115-S120 WeakPolarHBondContact CA-OG 3.29Å; V115-V146 HydrophobicContact CB-CG1 4.17Å; V115-V146 PolarHBondContact N-O 3.17Å; V115-L147 HydrophobicContact CB-CD2 4.08Å; V115-L147 HydrophobicContact CG1-CD2 4.28Å; V115-L147 HydrophobicContact CG2-CD2 3.89Å; V115-L198 HydrophobicContact CG1-CD2 3.67Å; V115-A204 HydrophobicContact CG1-CB 4.01Å; V115-M207 HydrophobicContact CG2-CG 4.2Å; V115-M207 HydrophobicContact CG2-SD 4.01Å
116C83.2Confident89.9Confident21 Ų2136.5 Ų36.514%0.14221%0.208CC..THydrogen-bonded Turntrans62.410.7-176-44.50000115.3Q203 A204 Y205 C206C116-Q203 WeakPolarHBondContact CB-O 3.19Å; C116-A204 VanDerWaalsContact SG-C 3.53Å; C116-A204 VanDerWaalsContact SG-CA 3.57Å; C116-Y205 HydrophobicContact CB-CD1 4.15Å; C116-Y205 HydrophobicContact CB-CE1 3.71Å; C116-C206 WeakPolarHBondContact CA-SG 3.41Å; C116-C206 HydrophobicContact CB-CB 3.71Å; C116-C206 WeakPolarHBondContact CB-SG 3.04Å; C116-C206 WeakPolarHBondContact SG-CB 3.27Å; C116-C206 PolarHBondContact SG-N 2.81Å; C116-C206 CovalentContact SG-SG 2.01Å; C116-C206 PolarHBondContact SG-SG 3Å
117T86.6Confident90.8Very high66 Ų6635.6 Ų35.641%0.40521%0.205SC..SBendtrans-111.2162.217381.20000111.2S114 V115 E119 S120S114-T117 VanDerWaalsContact O-CB 3.3Å; S114-T117 WeakPolarHBondContact O-CB 3.48Å; S114-T117 WeakPolarHBondContact O-CG2 3.38Å; S114-T117 PolarHBondContact O-N 3.36Å; S114-T117 VanDerWaalsContact O-N 3.08Å; S114-T117 PolarHBondContact O-OG1 3.23Å; V115-T117 PolarHBondContact O-N 2.97Å; V115-T117 VanDerWaalsContact O-N 3.1Å; T117-E119 PolarHBondContact O-N 3.15Å; T117-E119 VanDerWaalsContact O-N 3.12Å; T117-E119 PolarHBondContact OG1-N 3.11Å; T117-S120 WeakPolarHBondContact O-CB 3.01Å; T117-S120 PolarHBondContact O-N 3.06Å
118A82.8Confident91.1Very high59 Ų5931.9 Ų31.949%0.48819%0.189SC..THydrogen-bonded Turntrans-63.3-15.8174.800000113.5A84A84-A118 HydrophobicContact CB-CB 4.11Å
119E89.3Confident90.9Very high110 Ų11033.9 Ų33.951%0.51420%0.196SC..THydrogen-bonded Turntrans-91.1-2.2177.7-62.4-172.6157.500112.8F111 T117 T121F111-E119 HydrophobicContact CB-CB 4.49Å; F111-E119 HydrophobicContact CD2-CB 4.05Å; F111-E119 VanDerWaalsContact CD2-O 3.28Å; F111-E119 WeakPolarHBondContact CD2-O 3.38Å; F111-E119 HydrophobicContact CG-CB 4.37Å; T117-E119 PolarHBondContact O-N 3.15Å; T117-E119 VanDerWaalsContact O-N 3.12Å; T117-E119 PolarHBondContact OG1-N 3.11Å; E119-T121 PolarHBondContact O-N 3.07Å; E119-T121 PolarHBondContact O-OG1 2.94Å
120S94.2Very high90.6Very high2 Ų236.6 Ų36.61%0.01422%0.217CC..  trans-62.481.7-178.9-160.70000112.8D93 T95 S114 V115 T117 V146D93-S120 WeakPolarHBondContact O-CB 3Å; D93-S120 PolarHBondContact O-OG 2.68Å; T95-S120 PolarHBondContact N-O 2.66Å; S114-S120 WeakPolarHBondContact O-CB 3.34Å; S114-S120 WeakPolarHBondContact OG-CA 2.96Å; V115-S120 WeakPolarHBondContact CA-OG 3.29Å; T117-S120 WeakPolarHBondContact O-CB 3.01Å; T117-S120 PolarHBondContact O-N 3.06Å; S120-V146 VanDerWaalsContact OG-CG1 3.25Å; S120-V146 WeakPolarHBondContact OG-CG1 3.42Å
121T95.2Very high90.2Very high0 Ų038.8 Ų38.80%023%0.229CC..EExtended strand (participates in β ladder)trans-145.7146.8-168.657.90000111.7L76 L79 A80 Q83 T95 F111 E119L76-T121 WeakPolarHBondContact CD1-OG1 3.33Å; L79-T121 HydrophobicContact CD2-CG2 4.39Å; L79-T121 HydrophobicContact CG-CG2 4.13Å; A80-T121 HydrophobicContact CB-CG2 4.27Å; Q83-T121 HydrophobicContact CB-CG2 4.22Å; Q83-T121 HydrophobicContact CG-CG2 4.47Å; T95-T121 WeakPolarHBondContact O-CA 3.33Å; F111-T121 WeakPolarHBondContact CD2-OG1 3.45Å; F111-T121 PolarHBondContact N-O 2.99Å; E119-T121 PolarHBondContact O-N 3.07Å; E119-T121 PolarHBondContact O-OG1 2.94Å
122G96.1Very high90.1Very high0 Ų037.1 Ų37.10%022%0.223CC..EExtended strand (participates in β ladder)trans-143.7147.7176.200000111.8T95 L96 L97T95-G122 PolarHBondContact O-N 2.97Å; L96-G122 WeakPolarHBondContact CA-O 3.26Å; L97-G122 PolarHBondContact N-O 2.94Å
123L95.7Very high90Very high2 Ų238.8 Ų38.81%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-120.6123.8176.5-18066.4000109M72 T75 L97 T99 V109M72-L123 HydrophobicContact CB-CD2 3.99Å; M72-L123 HydrophobicContact CE-CD2 4.19Å; M72-L123 HydrophobicContact CE-CG 4.38Å; M72-L123 HydrophobicContact CG-CD2 4.24Å; M72-L123 HydrophobicContact SD-CD2 3.58Å; M72-L123 VanDerWaalsContact SD-CD2 3.58Å; M72-L123 HydrophobicContact SD-CG 4.12Å; T75-L123 HydrophobicContact CG2-CD1 4.24Å; T75-L123 HydrophobicContact CG2-CD2 3.84Å; L97-L123 HydrophobicContact CB-CD1 3.98Å; L97-L123 HydrophobicContact CD2-CD1 3.83Å; L97-L123 HydrophobicContact CG-CD1 3.71Å; L97-L123 WeakPolarHBondContact O-CA 3.44Å; L97-L123 WeakPolarHBondContact O-CD1 3.03Å; T99-L123 HydrophobicContact CG2-CD1 3.9Å; T99-L123 HydrophobicContact CG2-CG 4.36Å; V109-L123 PolarHBondContact N-O 3.36Å; V109-L123 PolarHBondContact O-N 3.25Å
124I95.3Very high89.8Confident0 Ų039.1 Ų39.10%021%0.214CC..EExtended strand (participates in β ladder)trans-121.8127.6-177.9-61.8162.8000110L97 F98 T99 L108 Q138 L139 V142L97-I124 PolarHBondContact O-N 2.04Å; F98-I124 CarbonylContact C-O 3.58Å; F98-I124 VanDerWaalsContact CA-O 3.28Å; F98-I124 WeakPolarHBondContact CA-O 3.34Å; F98-I124 HydrophobicContact CD1-CB 3.66Å; F98-I124 HydrophobicContact CD1-CG2 3.61Å; F98-I124 HydrophobicContact CE1-CB 3.59Å; F98-I124 HydrophobicContact CE1-CD1 3.96Å; F98-I124 HydrophobicContact CE1-CG1 4.38Å; F98-I124 HydrophobicContact CE1-CG2 3.27Å; F98-I124 HydrophobicContact CE2-CD1 4.26Å; F98-I124 HydrophobicContact CG-CB 4.4Å; F98-I124 HydrophobicContact CZ-CB 4.22Å; F98-I124 HydrophobicContact CZ-CD1 3.73Å; F98-I124 HydrophobicContact CZ-CG2 4.17Å; T99-I124 PolarHBondContact N-O 2.77Å; L108-I124 HydrophobicContact CD2-CB 4.08Å; L108-I124 HydrophobicContact CD2-CG1 3.88Å; L108-I124 HydrophobicContact CD2-CG2 3.66Å; I124-Q138 HydrophobicContact CG2-CB 3.9Å; I124-Q138 HydrophobicContact CG2-CG 4.47Å; I124-L139 HydrophobicContact CD1-CD2 3.7Å; I124-L139 HydrophobicContact CD1-CG 4.2Å; I124-V142 HydrophobicContact CD1-CB 4.28Å; I124-V142 HydrophobicContact CD1-CG2 4.13Å; I124-V142 HydrophobicContact CG1-CB 4.47Å; I124-V142 HydrophobicContact CG1-CG2 3.84Å
125V92.7Very high89.8Confident10 Ų1038.9 Ų38.96%0.06121%0.212CC..EExtended strand (participates in β ladder)trans-87.9117.3167.9-176.90000108.5M72 T99 P101 R105 T106 E107 S127 Q138M72-V125 HydrophobicContact CE-CG2 4.05Å; M72-V125 HydrophobicContact SD-CG2 3.66Å; T99-V125 HydrophobicContact CG2-CB 4.42Å; T99-V125 HydrophobicContact CG2-CG2 3.77Å; T99-V125 WeakPolarHBondContact O-CA 3.11Å; P101-V125 HydrophobicContact CB-CG1 4.21Å; P101-V125 HydrophobicContact CG-CG1 4Å; R105-V125 HydrophobicContact CB-CG2 4.39Å; T106-V125 VanDerWaalsContact O-CG2 3.26Å; T106-V125 WeakPolarHBondContact O-CG2 3.03Å; E107-V125 WeakPolarHBondContact O-CB 3.47Å; E107-V125 WeakPolarHBondContact O-CG2 3.27Å; E107-V125 PolarHBondContact O-N 2.77Å; V125-S127 PolarHBondContact O-N 2.75Å; V125-Q138 PolarHBondContact O-NE2 3.14Å; V125-Q138 PolarHBondContact O-OE1 2.9Å
126I89.8Confident89.9Confident0 Ų038.8 Ų38.80%021%0.212CC..  trans-66.8121.6178-55.5171.8000109V19 W22 M23 F34 F98 T99 P101 D128V19-I126 HydrophobicContact CB-CD1 4.36Å; V19-I126 HydrophobicContact CG1-CD1 3.41Å; V19-I126 VanDerWaalsContact CG1-CD1 3.41Å; V19-I126 HydrophobicContact CG2-CD1 3.98Å; W22-I126 HydrophobicContact CH2-CG2 4.39Å; W22-I126 HydrophobicContact CZ3-CB 4.27Å; W22-I126 HydrophobicContact CZ3-CG2 3.81Å; M23-I126 HydrophobicContact SD-CD1 4.37Å; F34-I126 HydrophobicContact CE1-CD1 4.05Å; F34-I126 HydrophobicContact CZ-CD1 3.5Å; F34-I126 VanDerWaalsContact CZ-CD1 3.5Å; F98-I126 HydrophobicContact CB-CD1 4.16Å; F98-I126 HydrophobicContact CB-CG1 4.19Å; F98-I126 HydrophobicContact CD1-CD1 4.06Å; F98-I126 HydrophobicContact CD1-CG1 3.4Å; F98-I126 HydrophobicContact CE1-CG1 4.11Å; F98-I126 HydrophobicContact CG-CD1 4.42Å; F98-I126 HydrophobicContact CG-CG1 4.18Å; T99-I126 PolarHBondContact O-N 2.93Å; P101-I126 VanDerWaalsContact CD-O 3.27Å; P101-I126 WeakPolarHBondContact CD-O 3.37Å; P101-I126 WeakPolarHBondContact CG-O 3.03Å; I126-D128 WeakPolarHBondContact CG2-O 3.17Å
127S83.9Confident90.3Very high62 Ų6238.8 Ų38.843%0.43421%0.21SC..  trans-94.7-30.7-178.9540000113.4V125V125-S127 PolarHBondContact O-N 2.75Å
128D86.7Confident90.6Very high36 Ų3635.8 Ų35.819%0.19319%0.191CC..  trans-133.2130.7-177.9-168.4-40000110F33 I126 S130 H131 Y134F33-D128 WeakPolarHBondContact CZ-O 3.39Å; I126-D128 WeakPolarHBondContact CG2-O 3.17Å; D128-S130 WeakPolarHBondContact OD1-CA 3.5Å; D128-S130 WeakPolarHBondContact OD1-CB 3.4Å; D128-S130 PolarHBondContact OD1-N 2.81Å; D128-H131 PolarHBondContact OD1-N 3.3Å; D128-H131 IonicContact OD1-ND1 3.5Å; D128-H131 IonicContact OD2-CG 3.98Å; D128-H131 IonicContact OD2-ND1 3.05Å; D128-H131 PolarHBondContact OD2-ND1 3.41Å; D128-Y134 HydrophobicContact CB-CD2 3.78Å; D128-Y134 HydrophobicContact CB-CG 4.4Å; D128-Y134 WeakPolarHBondContact OD2-CD2 3.37Å
129K85.8Confident91.2Very high72 Ų7233 Ų3331%0.31317%0.168SC..SBendtrans-103.3-8.7178.359.7178-176.2174.80114.6W22 M23 F33W22-K129 HydrophobicContact CE3-CB 4.41Å; W22-K129 HydrophobicContact CE3-CD 4.47Å; W22-K129 HydrophobicContact CH2-CB 4.03Å; W22-K129 HydrophobicContact CH2-CD 4.39Å; W22-K129 HydrophobicContact CH2-CG 4.19Å; W22-K129 HydrophobicContact CZ3-CB 3.62Å; W22-K129 HydrophobicContact CZ3-CD 4.21Å; W22-K129 HydrophobicContact CZ3-CG 4.17Å; W22-K129 PolarHBondContact O-NZ 3.4Å; M23-K129 HydrophobicContact CE-CB 3.87Å; M23-K129 HydrophobicContact CG-CB 4.15Å; M23-K129 WeakPolarHBondContact O-CD 3.15Å; M23-K129 PolarHBondContact O-NZ 3.18Å; F33-K129 WeakPolarHBondContact CE2-O 3Å
130S86.1Confident91.5Very high87 Ų8727.7 Ų27.761%0.60814%0.144SC*.SBendtrans-91.4-31.2-179.8-55.50000111.3D128D128-S130 WeakPolarHBondContact OD1-CA 3.5Å; D128-S130 WeakPolarHBondContact OD1-CB 3.4Å; D128-S130 PolarHBondContact OD1-N 2.81Å
131H87.6Confident91.4Very high100 Ų10029.1 Ų29.146%0.46315%0.149SC..  trans-123.1103-175.5-51.396.6000111.6D128 F133 Y134D128-H131 PolarHBondContact OD1-N 3.3Å; D128-H131 IonicContact OD1-ND1 3.5Å; D128-H131 IonicContact OD2-CG 3.98Å; D128-H131 IonicContact OD2-ND1 3.05Å; D128-H131 PolarHBondContact OD2-ND1 3.41Å; H131-F133 PolarHBondContact O-N 2.73Å; H131-F133 VanDerWaalsContact O-N 3.1Å; H131-Y134 HydrophobicContact CB-CD2 3.71Å; H131-Y134 HydrophobicContact CB-CE2 3.98Å; H131-Y134 AromaticContact ND1-CE2 3.97Å; H131-Y134 PolarHBondContact O-N 2.78Å
132P92.5Very high91.4Very high13 Ų1329.1 Ų29.18%0.08415%0.149CC..Hα-helixtrans-52.6-30.1173.3-2733.9000113.4F33 E36 A37 Y134 T135 A136F33-P132 HydrophobicContact CD2-CB 4.25Å; F33-P132 HydrophobicContact CD2-CG 3.55Å; F33-P132 HydrophobicContact CE2-CB 4.18Å; F33-P132 HydrophobicContact CE2-CG 3.74Å; F33-P132 HydrophobicContact CG-CG 4.18Å; E36-P132 HydrophobicContact CB-CB 3.98Å; E36-P132 HydrophobicContact CB-CG 4.14Å; E36-P132 HydrophobicContact CG-CB 4.03Å; E36-P132 HydrophobicContact CG-CG 4.16Å; A37-P132 HydrophobicContact CB-CB 4.16Å; A37-P132 WeakPolarHBondContact CB-O 3.39Å; P132-Y134 VanDerWaalsContact C-N 3.34Å; P132-Y134 PolarHBondContact O-N 2.93Å; P132-T135 CarbonylContact O-C 3.59Å; P132-T135 WeakPolarHBondContact O-CA 3.1Å; P132-T135 VanDerWaalsContact O-CB 3.31Å; P132-T135 WeakPolarHBondContact O-CB 3.32Å; P132-T135 PolarHBondContact O-N 3.25Å; P132-A136 PolarHBondContact O-N 2.85Å
133F89.9Confident91.5Very high72 Ų7229.1 Ų29.132%0.31615%0.149SC..Hα-helixtrans-53.3-43.5178.1-177-100.6000113.9T40 F44 H131 T135 A136 L137 Y185T40-F133 HydrophobicContact CG2-CD2 3.96Å; T40-F133 HydrophobicContact CG2-CE2 4.34Å; F44-F133 HydrophobicContact CE1-CE2 4.47Å; F44-F133 HydrophobicContact CZ-CD2 4.47Å; F44-F133 AromaticContact CZ-CE2 3.73Å; F44-F133 HydrophobicContact CZ-CE2 3.73Å; F44-F133 HydrophobicContact CZ-CZ 4.26Å; H131-F133 PolarHBondContact O-N 2.73Å; H131-F133 VanDerWaalsContact O-N 3.1Å; F133-T135 VanDerWaalsContact C-N 3.3Å; F133-T135 PolarHBondContact O-N 3.45Å; F133-A136 VanDerWaalsContact O-CB 3.31Å; F133-A136 WeakPolarHBondContact O-CB 3.29Å; F133-A136 PolarHBondContact O-N 2.92Å; F133-A136 VanDerWaalsContact O-N 3.13Å; F133-L137 HydrophobicContact CD1-CD1 4.14Å; F133-L137 HydrophobicContact CD1-CG 4.39Å; F133-L137 HydrophobicContact CE1-CD1 3.61Å; F133-L137 HydrophobicContact CE1-CD2 4.34Å; F133-L137 HydrophobicContact CE1-CG 3.99Å; F133-L137 HydrophobicContact CZ-CD1 4.22Å; F133-L137 HydrophobicContact CZ-CD2 4.13Å; F133-L137 HydrophobicContact CZ-CG 4.23Å; F133-L137 PolarHBondContact O-N 3.28Å; F133-Y185 AromaticContact CE1-CE2 3.92Å; F133-Y185 HydrophobicContact CE1-CE2 3.92Å; F133-Y185 AromaticContact CE1-CZ 3.99Å; F133-Y185 AromaticContact CZ-CD2 3.69Å; F133-Y185 HydrophobicContact CZ-CD2 3.69Å; F133-Y185 AromaticContact CZ-CE2 3.5Å; F133-Y185 HydrophobicContact CZ-CE2 3.5Å; F133-Y185 VanDerWaalsContact CZ-CE2 3.5Å; F133-Y185 HydrophobicContact CZ-CG 4.32Å; F133-Y185 AromaticContact CZ-CZ 3.98Å
134Y88.4Confident91.5Very high102 Ų10229 Ų2940%0.415%0.149SC..Hα-helixtrans-67.5-34.2178-67.2-59.5000112.1D128 H131 P132 A136 L137 Q138D128-Y134 HydrophobicContact CB-CD2 3.78Å; D128-Y134 HydrophobicContact CB-CG 4.4Å; D128-Y134 WeakPolarHBondContact OD2-CD2 3.37Å; H131-Y134 HydrophobicContact CB-CD2 3.71Å; H131-Y134 HydrophobicContact CB-CE2 3.98Å; H131-Y134 AromaticContact ND1-CE2 3.97Å; H131-Y134 PolarHBondContact O-N 2.78Å; P132-Y134 VanDerWaalsContact C-N 3.34Å; P132-Y134 PolarHBondContact O-N 2.93Å; Y134-A136 VanDerWaalsContact C-N 3.32Å; Y134-L137 HydrophobicContact CD1-CD1 4.25Å; Y134-L137 PolarHBondContact O-N 2.81Å; Y134-Q138 WeakPolarHBondContact O-CG 3.49Å; Y134-Q138 PolarHBondContact O-N 2.93Å; Y134-Q138 VanDerWaalsContact O-N 3.08Å
135T92.7Very high91.5Very high0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-65.4-39172.1-640000110.6F33 F34 A37 F98 P132 F133 L137 Q138 L139F33-T135 HydrophobicContact CE1-CG2 4.25Å; F33-T135 WeakPolarHBondContact CE1-OG1 3.26Å; F33-T135 WeakPolarHBondContact CZ-OG1 3.28Å; F34-T135 HydrophobicContact CE1-CG2 4.44Å; A37-T135 HydrophobicContact CB-CG2 3.82Å; F98-T135 HydrophobicContact CE1-CG2 3.58Å; F98-T135 HydrophobicContact CZ-CG2 3.61Å; P132-T135 CarbonylContact O-C 3.59Å; P132-T135 WeakPolarHBondContact O-CA 3.1Å; P132-T135 VanDerWaalsContact O-CB 3.31Å; P132-T135 WeakPolarHBondContact O-CB 3.32Å; P132-T135 PolarHBondContact O-N 3.25Å; F133-T135 VanDerWaalsContact C-N 3.3Å; F133-T135 PolarHBondContact O-N 3.45Å; T135-L137 VanDerWaalsContact C-N 3.34Å; T135-L137 PolarHBondContact O-N 3.15Å; T135-Q138 PolarHBondContact O-N 3.29Å; T135-L139 HydrophobicContact CG2-CD1 4.17Å; T135-L139 WeakPolarHBondContact O-CB 2.96Å; T135-L139 VanDerWaalsContact O-CG 3.32Å; T135-L139 WeakPolarHBondContact O-CG 3.17Å; T135-L139 PolarHBondContact O-N 2.73Å
136A94.2Very high91.6Very high0 Ų029.6 Ų29.60%015%0.151CC..Hα-helixtrans-61.8-39.217400000112.5A37 T40 F44 P132 F133 Y134 L139 A140A37-A136 HydrophobicContact CB-CB 4.38Å; A37-A136 VanDerWaalsContact O-CB 3.26Å; A37-A136 WeakPolarHBondContact O-CB 3.38Å; T40-A136 HydrophobicContact CG2-CB 3.62Å; F44-A136 HydrophobicContact CE2-CB 3.99Å; P132-A136 PolarHBondContact O-N 2.85Å; F133-A136 VanDerWaalsContact O-CB 3.31Å; F133-A136 WeakPolarHBondContact O-CB 3.29Å; F133-A136 PolarHBondContact O-N 2.92Å; F133-A136 VanDerWaalsContact O-N 3.13Å; Y134-A136 VanDerWaalsContact C-N 3.32Å; A136-L139 WeakPolarHBondContact O-CB 3.14Å; A136-L139 PolarHBondContact O-N 2.94Å; A136-A140 WeakPolarHBondContact O-CB 3.49Å; A136-A140 PolarHBondContact O-N 3.39Å
137L91.6Very high91.9Very high21 Ų2129.6 Ų29.611%0.1115%0.151CC..Hα-helixtrans-64.5-43.5174.2-67.4179.6000112.2F44 F133 Y134 T135 L139 A140 Y141 L166 Y185F44-L137 HydrophobicContact CE2-CD2 3.94Å; F44-L137 HydrophobicContact CZ-CD2 3.9Å; F133-L137 HydrophobicContact CD1-CD1 4.14Å; F133-L137 HydrophobicContact CD1-CG 4.39Å; F133-L137 HydrophobicContact CE1-CD1 3.61Å; F133-L137 HydrophobicContact CE1-CD2 4.34Å; F133-L137 HydrophobicContact CE1-CG 3.99Å; F133-L137 HydrophobicContact CZ-CD1 4.22Å; F133-L137 HydrophobicContact CZ-CD2 4.13Å; F133-L137 HydrophobicContact CZ-CG 4.23Å; F133-L137 PolarHBondContact O-N 3.28Å; Y134-L137 HydrophobicContact CD1-CD1 4.25Å; Y134-L137 PolarHBondContact O-N 2.81Å; T135-L137 VanDerWaalsContact C-N 3.34Å; T135-L137 PolarHBondContact O-N 3.15Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 2.08Å; L137-A140 PolarHBondContact O-N 3.3Å; L137-Y141 WeakPolarHBondContact O-CB 3.15Å; L137-Y141 PolarHBondContact O-N 2.81Å; L137-L166 HydrophobicContact CD2-CD2 3.56Å; L137-Y185 HydrophobicContact CD1-CD1 4.27Å; L137-Y185 HydrophobicContact CD1-CE1 3.74Å; L137-Y185 HydrophobicContact CD2-CD1 3.4Å; L137-Y185 HydrophobicContact CD2-CE1 3.77Å; L137-Y185 HydrophobicContact CD2-CG 3.86Å; L137-Y185 HydrophobicContact CG-CD1 4.5Å; L137-Y185 HydrophobicContact CG-CE1 4.44Å
138Q92.4Very high92.3Very high3 Ų327 Ų271%0.01413%0.134CC..Hα-helixtrans-61.9-42.8175.4-70.4-179.5-48.600111.4L108 I124 V125 Y134 T135 Y141 V142 L170L108-Q138 HydrophobicContact CD2-CB 3.98Å; L108-Q138 HydrophobicContact CD2-CG 4.13Å; I124-Q138 HydrophobicContact CG2-CB 3.9Å; I124-Q138 HydrophobicContact CG2-CG 4.47Å; V125-Q138 PolarHBondContact O-NE2 3.14Å; V125-Q138 PolarHBondContact O-OE1 2.9Å; Y134-Q138 WeakPolarHBondContact O-CG 3.49Å; Y134-Q138 PolarHBondContact O-N 2.93Å; Y134-Q138 VanDerWaalsContact O-N 3.08Å; T135-Q138 PolarHBondContact O-N 3.29Å; Q138-Y141 PolarHBondContact O-N 3.29Å; Q138-V142 WeakPolarHBondContact O-CG2 3.22Å; Q138-V142 PolarHBondContact O-N 2.84Å; Q138-L170 HydrophobicContact CG-CD2 4.38Å
139L95.9Very high92.6Very high0 Ų025.4 Ų25.40%013%0.125CC..Hα-helixtrans-59.5-50.7174.5-81.2168.9000111.8A37 L38 L41 L96 F98 I124 T135 A136 L137 Y141 V142 V143A37-L139 HydrophobicContact CB-CD1 4.21Å; L38-L139 HydrophobicContact CD2-CD1 3.96Å; L41-L139 HydrophobicContact CD1-CB 4.35Å; L41-L139 HydrophobicContact CD2-CB 4.07Å; L96-L139 HydrophobicContact CD1-CD2 3.46Å; L96-L139 VanDerWaalsContact CD1-CD2 3.46Å; F98-L139 HydrophobicContact CE2-CD2 3.85Å; F98-L139 HydrophobicContact CE2-CG 4.4Å; F98-L139 HydrophobicContact CZ-CD1 4.12Å; F98-L139 HydrophobicContact CZ-CD2 3.63Å; F98-L139 HydrophobicContact CZ-CG 3.74Å; I124-L139 HydrophobicContact CD1-CD2 3.7Å; I124-L139 HydrophobicContact CD1-CG 4.2Å; T135-L139 HydrophobicContact CG2-CD1 4.17Å; T135-L139 WeakPolarHBondContact O-CB 2.96Å; T135-L139 VanDerWaalsContact O-CG 3.32Å; T135-L139 WeakPolarHBondContact O-CG 3.17Å; T135-L139 PolarHBondContact O-N 2.73Å; A136-L139 WeakPolarHBondContact O-CB 3.14Å; A136-L139 PolarHBondContact O-N 2.94Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 2.08Å; L139-Y141 VanDerWaalsContact C-N 3.29Å; L139-Y141 PolarHBondContact O-N 3.31Å; L139-V142 PolarHBondContact O-N 3.06Å; L139-V143 WeakPolarHBondContact O-CB 3.41Å; L139-V143 VanDerWaalsContact O-CG2 3.25Å; L139-V143 WeakPolarHBondContact O-CG2 3.47Å; L139-V143 PolarHBondContact O-N 3.41Å
140A94.9Very high92.5Very high0 Ų024.4 Ų24.40%013%0.13CC..Hα-helixtrans-59.4-41.8-179.300000112L41 F44 A136 L137 G144 L166 Y187L41-A140 VanDerWaalsContact CD1-CA 3.43Å; L41-A140 HydrophobicContact CD1-CB 3.72Å; F44-A140 HydrophobicContact CD2-CB 3.85Å; A136-A140 WeakPolarHBondContact O-CB 3.49Å; A136-A140 PolarHBondContact O-N 3.39Å; L137-A140 PolarHBondContact O-N 3.3Å; A140-G144 PolarHBondContact O-N 3.29Å; A140-L166 HydrophobicContact CB-CD1 4.26Å; A140-L166 HydrophobicContact CB-CD2 3.95Å; A140-Y187 VanDerWaalsContact C-OH 3.28Å; A140-Y187 WeakPolarHBondContact CA-OH 3.41Å; A140-Y187 WeakPolarHBondContact CB-OH 3.21Å; A140-Y187 PolarHBondContact O-OH 2.88Å
141Y92.6Very high92.3Very high32 Ų3222.8 Ų22.813%0.12511%0.113CC..Hα-helixtrans-62.9-48175.9-179.8-82.9000112.2L108 Y110 L137 Q138 L139 G144 H145 H151 L166 L170L108-Y141 HydrophobicContact CD1-CD1 3.69Å; L108-Y141 HydrophobicContact CD1-CE1 3.9Å; L108-Y141 HydrophobicContact CD1-CG 4.4Å; Y110-Y141 HydrophobicContact CE1-CD1 4.28Å; Y110-Y141 AromaticContact CE1-CE1 3.83Å; Y110-Y141 HydrophobicContact CE1-CE1 3.83Å; L137-Y141 WeakPolarHBondContact O-CB 3.15Å; L137-Y141 PolarHBondContact O-N 2.81Å; Q138-Y141 PolarHBondContact O-N 3.29Å; L139-Y141 VanDerWaalsContact C-N 3.29Å; L139-Y141 PolarHBondContact O-N 3.31Å; Y141-G144 PolarHBondContact O-N 2.94Å; Y141-H145 AromaticContact CD1-CD2 4Å; Y141-H145 AromaticContact CE1-CD2 3.75Å; Y141-H145 AromaticContact CE1-NE2 3.96Å; Y141-H145 AromaticContact CZ-NE2 3.87Å; Y141-H145 PolarHBondContact O-CD2 3.43Å; Y141-H145 PolarHBondContact O-N 3.15Å; Y141-H151 AromaticContact CE2-CE1 3.46Å; Y141-H151 VanDerWaalsContact CE2-CE1 3.46Å; Y141-H151 WeakPolarHBondContact CE2-CE1 3.5Å; Y141-H151 AromaticContact CZ-CE1 3.41Å; Y141-H151 VanDerWaalsContact CZ-CE1 3.41Å; Y141-H151 PolarHBondContact OH-CE1 2.99Å; Y141-H151 PolarHBondContact OH-NE2 2.97Å; Y141-L166 WeakPolarHBondContact CD2-O 3.48Å; Y141-L170 HydrophobicContact CD1-CD1 4.5Å; Y141-L170 HydrophobicContact CD2-CD1 3.23Å; Y141-L170 HydrophobicContact CE2-CD1 3.69Å; Y141-L170 HydrophobicContact CG-CD1 3.67Å
142V95.4Very high91.4Very high0 Ų018.2 Ų18.20%09%0.092CC..Hα-helixtrans-67-45.9-179.6170.20000111.5L96 L108 Y110 I124 Q138 L139 G144 H145 V146L96-V142 HydrophobicContact CD2-CG1 3.93Å; L108-V142 HydrophobicContact CB-CG2 4.23Å; L108-V142 HydrophobicContact CD1-CG2 4.41Å; L108-V142 HydrophobicContact CD2-CG2 4.05Å; L108-V142 HydrophobicContact CG-CG2 4.47Å; Y110-V142 HydrophobicContact CD1-CB 4.37Å; Y110-V142 HydrophobicContact CD1-CG1 4.19Å; Y110-V142 HydrophobicContact CD1-CG2 3.84Å; Y110-V142 HydrophobicContact CE1-CG2 4.35Å; Y110-V142 HydrophobicContact CG-CG1 4.29Å; I124-V142 HydrophobicContact CD1-CB 4.28Å; I124-V142 HydrophobicContact CD1-CG2 4.13Å; I124-V142 HydrophobicContact CG1-CB 4.47Å; I124-V142 HydrophobicContact CG1-CG2 3.84Å; Q138-V142 WeakPolarHBondContact O-CG2 3.22Å; Q138-V142 PolarHBondContact O-N 2.84Å; L139-V142 PolarHBondContact O-N 3.06Å; V142-G144 VanDerWaalsContact C-N 3.31Å; V142-G144 PolarHBondContact O-N 2.76Å; V142-H145 PolarHBondContact O-N 3.21Å; V142-V146 WeakPolarHBondContact O-CG2 3.3Å; V142-V146 PolarHBondContact O-N 3.2Å
143V97.5Very high90Very high0 Ų019.1 Ų19.10%010%0.096CC..Hα-helixtrans-60.7-43.3177172.10000110.3L9 L41 L45 I94 L96 L139 H145 V146 L147L9-V143 HydrophobicContact CD2-CG1 3.72Å; L41-V143 HydrophobicContact CD2-CG2 4.18Å; L45-V143 HydrophobicContact CD1-CG1 4.36Å; L45-V143 HydrophobicContact CD2-CG1 4.1Å; I94-V143 HydrophobicContact CD1-CG2 4.03Å; L96-V143 HydrophobicContact CD1-CG2 4.18Å; L139-V143 WeakPolarHBondContact O-CB 3.41Å; L139-V143 VanDerWaalsContact O-CG2 3.25Å; L139-V143 WeakPolarHBondContact O-CG2 3.47Å; L139-V143 PolarHBondContact O-N 3.41Å; V143-H145 VanDerWaalsContact C-N 3.33Å; V143-H145 PolarHBondContact O-N 2.81Å; V143-V146 PolarHBondContact O-N 3.49Å; V143-V146 VanDerWaalsContact O-N 3.15Å; V143-L147 HydrophobicContact CG1-CD1 3.83Å; V143-L147 HydrophobicContact CG1-CG 4.17Å; V143-L147 WeakPolarHBondContact O-CB 3.24Å; V143-L147 VanDerWaalsContact O-CG 3.29Å; V143-L147 WeakPolarHBondContact O-CG 3.38Å; V143-L147 PolarHBondContact O-N 2.77Å
144G95.5Very high88.2Confident0 Ų022.6 Ų22.60%012%0.118CC..Hα-helixtrans-53.5-48.7175.600000112.2A140 Y141 V142 L147 G148 M149A140-G144 PolarHBondContact O-N 3.29Å; Y141-G144 PolarHBondContact O-N 2.94Å; V142-G144 VanDerWaalsContact C-N 3.31Å; V142-G144 PolarHBondContact O-N 2.76Å; G144-L147 CarbonylContact O-C 3.54Å; G144-L147 WeakPolarHBondContact O-CA 3.01Å; G144-L147 PolarHBondContact O-N 3.14Å; G144-G148 PolarHBondContact O-N 3.42Å; G144-G148 VanDerWaalsContact O-N 3.11Å; G144-M149 VanDerWaalsContact O-CB 3.25Å; G144-M149 WeakPolarHBondContact O-CB 3.11Å; G144-M149 WeakPolarHBondContact O-CG 3.26Å; G144-M149 PolarHBondContact O-N 3.46Å
145H94.9Very high86.2Confident22 Ų2220.9 Ų20.910%0.10213%0.131CC..Hα-helixtrans-65.9-39.2177-85.2-73.4000113.8Y110 G112 N113 Y141 V142 V143 L147 G148 M149 H151 M167Y110-H145 HydrophobicContact CD2-CB 3.53Å; Y110-H145 HydrophobicContact CE2-CB 3.21Å; Y110-H145 AromaticContact CE2-CD2 3.73Å; Y110-H145 AromaticContact CE2-CG 3.28Å; Y110-H145 AromaticContact CE2-ND1 3.75Å; Y110-H145 HydrophobicContact CG-CB 4.35Å; Y110-H145 AromaticContact CZ-CD2 3.38Å; Y110-H145 AromaticContact CZ-CG 3.48Å; Y110-H145 VanDerWaalsContact CZ-CG 3.48Å; Y110-H145 AromaticContact CZ-NE2 3.92Å; Y110-H145 PolarHBondContact OH-CD2 2.68Å; Y110-H145 PolarHBondContact OH-NE2 2.92Å; Y110-H145 VanDerWaalsContact OH-NE2 3.13Å; G112-H145 CarbonylContact C-O 3.53Å; G112-H145 WeakPolarHBondContact CA-O 3.04Å; N113-H145 PolarHBondContact N-O 3.06Å; Y141-H145 AromaticContact CD1-CD2 4Å; Y141-H145 AromaticContact CE1-CD2 3.75Å; Y141-H145 AromaticContact CE1-NE2 3.96Å; Y141-H145 AromaticContact CZ-NE2 3.87Å; Y141-H145 PolarHBondContact O-CD2 3.43Å; Y141-H145 PolarHBondContact O-N 3.15Å; V142-H145 PolarHBondContact O-N 3.21Å; V143-H145 VanDerWaalsContact C-N 3.33Å; V143-H145 PolarHBondContact O-N 2.81Å; H145-L147 PolarHBondContact O-N 3.45Å; H145-G148 PolarHBondContact O-N 3.37Å; H145-M149 PolarHBondContact ND1-O 3.44Å; H145-H151 AromaticContact CE1-CD2 3.68Å; H145-H151 AromaticContact CE1-CE1 3.84Å; H145-H151 AromaticContact CE1-NE2 3.36Å; H145-H151 PolarHBondContact CE1-NE2 3.24Å; H145-H151 AromaticContact NE2-CD2 3.87Å; H145-H151 AromaticContact NE2-CE1 3.25Å; H145-H151 PolarHBondContact NE2-CE1 2.69Å; H145-H151 VanDerWaalsContact NE2-CE1 3.25Å; H145-H151 AromaticContact NE2-ND1 3.98Å; H145-H151 AromaticContact NE2-NE2 3.14Å; H145-H151 PolarHBondContact NE2-NE2 3.35Å; H145-H151 VanDerWaalsContact NE2-NE2 3.14Å; H145-M167 WeakPolarHBondContact CD2-CE 3.48Å; H145-M167 WeakPolarHBondContact NE2-CE 3.44Å
146V96Very high84Confident0 Ų026.7 Ų26.70%016%0.161CC..Hα-helixtrans-60.8-36.3174.4171.70000110.9I94 N113 S114 V115 S120 V142 V143 G148I94-V146 HydrophobicContact CD1-CB 4Å; I94-V146 HydrophobicContact CD1-CG1 3.78Å; I94-V146 HydrophobicContact CD1-CG2 4.05Å; I94-V146 HydrophobicContact CG1-CG1 4.19Å; N113-V146 PolarHBondContact N-O 2.77Å; S114-V146 PolarHBondContact N-O 3.21Å; S114-V146 VanDerWaalsContact N-O 3.14Å; V115-V146 HydrophobicContact CB-CG1 4.17Å; V115-V146 PolarHBondContact N-O 3.17Å; S120-V146 VanDerWaalsContact OG-CG1 3.25Å; S120-V146 WeakPolarHBondContact OG-CG1 3.42Å; V142-V146 WeakPolarHBondContact O-CG2 3.3Å; V142-V146 PolarHBondContact O-N 3.2Å; V143-V146 PolarHBondContact O-N 3.49Å; V143-V146 VanDerWaalsContact O-N 3.15Å; V146-G148 PolarHBondContact O-N 2.86Å
147L95.8Very high81.7Confident0 Ų033.5 Ų33.50%019%0.193CC..THydrogen-bonded Turntrans-80.26172.8-64-179.1000113.9L9 L45 V115 V143 G144 H145 M149 F195 L198 M207L9-L147 HydrophobicContact CD1-CD2 4.37Å; L45-L147 HydrophobicContact CD2-CD1 4.48Å; V115-L147 HydrophobicContact CB-CD2 4.08Å; V115-L147 HydrophobicContact CG1-CD2 4.28Å; V115-L147 HydrophobicContact CG2-CD2 3.89Å; V143-L147 HydrophobicContact CG1-CD1 3.83Å; V143-L147 HydrophobicContact CG1-CG 4.17Å; V143-L147 WeakPolarHBondContact O-CB 3.24Å; V143-L147 VanDerWaalsContact O-CG 3.29Å; V143-L147 WeakPolarHBondContact O-CG 3.38Å; V143-L147 PolarHBondContact O-N 2.77Å; G144-L147 CarbonylContact O-C 3.54Å; G144-L147 WeakPolarHBondContact O-CA 3.01Å; G144-L147 PolarHBondContact O-N 3.14Å; H145-L147 PolarHBondContact O-N 3.45Å; L147-M149 HydrophobicContact CD1-CE 4.35Å; L147-M149 PolarHBondContact O-N 3.36Å; L147-F195 HydrophobicContact CB-CD2 3.84Å; L147-F195 HydrophobicContact CB-CE2 4.27Å; L147-F195 HydrophobicContact CD1-CD2 4.5Å; L147-F195 HydrophobicContact CD1-CE2 4.28Å; L147-F195 HydrophobicContact CD2-CE2 4.14Å; L147-F195 HydrophobicContact CG-CE2 4.47Å; L147-F195 WeakPolarHBondContact O-CA 3.23Å; L147-F195 WeakPolarHBondContact O-CD2 3.31Å; L147-L198 VanDerWaalsContact C-CD2 3.44Å; L147-L198 WeakPolarHBondContact O-CD2 3.46Å; L147-M207 HydrophobicContact CD2-CE 3.85Å; L147-M207 HydrophobicContact CD2-SD 3.56Å; L147-M207 VanDerWaalsContact CD2-SD 3.56Å
148G92.5Very high79.7Confident8 Ų837.8 Ų37.88%0.08221%0.211CC..THydrogen-bonded Turntrans81.310.9173.900000116.1N113 G144 H145 V146 A150 G194N113-G148 WeakPolarHBondContact OD1-CA 3.45Å; G144-G148 PolarHBondContact O-N 3.42Å; G144-G148 VanDerWaalsContact O-N 3.11Å; H145-G148 PolarHBondContact O-N 3.37Å; V146-G148 PolarHBondContact O-N 2.86Å; G148-A150 PolarHBondContact O-N 3.37Å; G148-G194 CarbonylContact O-C 3.54Å; G148-G194 WeakPolarHBondContact O-CA 3.49Å
149M92.9Very high77.5Confident1 Ų146 Ų461%0.00525%0.246CC..PPolyproline II helixtrans-70.6124.9174.9-59.1-179.4-172.900110.3V48 G144 H145 L147 M167 Y187 S191 F195V48-M149 HydrophobicContact CG1-CE 4.44Å; V48-M149 HydrophobicContact CG2-CE 4.18Å; G144-M149 VanDerWaalsContact O-CB 3.25Å; G144-M149 WeakPolarHBondContact O-CB 3.11Å; G144-M149 WeakPolarHBondContact O-CG 3.26Å; G144-M149 PolarHBondContact O-N 3.46Å; H145-M149 PolarHBondContact ND1-O 3.44Å; L147-M149 HydrophobicContact CD1-CE 4.35Å; L147-M149 PolarHBondContact O-N 3.36Å; M149-M167 HydrophobicContact CB-CE 4.04Å; M149-M167 HydrophobicContact CB-CG 4.34Å; M149-M167 HydrophobicContact CB-SD 4.44Å; M149-M167 WeakPolarHBondContact O-CE 3.27Å; M149-Y187 HydrophobicContact CE-CD1 4.38Å; M149-Y187 HydrophobicContact CE-CG 4.45Å; M149-Y187 HydrophobicContact SD-CD1 3.26Å; M149-Y187 WeakPolarHBondContact SD-CD1 3.45Å; M149-Y187 HydrophobicContact SD-CD2 4.49Å; M149-Y187 HydrophobicContact SD-CE1 3.52Å; M149-Y187 VanDerWaalsContact SD-CE1 3.52Å; M149-Y187 HydrophobicContact SD-CG 3.8Å; M149-S191 VanDerWaalsContact CA-O 3.31Å; M149-S191 WeakPolarHBondContact CA-O 3.36Å; M149-S191 WeakPolarHBondContact CB-O 3.29Å; M149-S191 WeakPolarHBondContact CG-O 3.5Å; M149-F195 HydrophobicContact CE-CB 3.73Å; M149-F195 HydrophobicContact CE-CD1 3.86Å; M149-F195 HydrophobicContact CE-CG 3.79Å; M149-F195 HydrophobicContact CG-CB 3.77Å
150A83.7Confident75.4Confident51 Ų5147.8 Ų47.842%0.42126%0.258SS..PPolyproline II helixtrans-81.5162.8177.700000111.7G148 S191G148-A150 PolarHBondContact O-N 3.37Å; A150-S191 VanDerWaalsContact O-CB 3.31Å; A150-S191 WeakPolarHBondContact O-CB 3.5Å
151H82.2Confident73.5Confident53 Ų5356 Ų5625%0.24530%0.297CS..PPolyproline II helixtrans-59.6139.3167.9-78.7-58.2000112.4Y141 H145 N153 M167Y141-H151 AromaticContact CE2-CE1 3.46Å; Y141-H151 VanDerWaalsContact CE2-CE1 3.46Å; Y141-H151 WeakPolarHBondContact CE2-CE1 3.5Å; Y141-H151 AromaticContact CZ-CE1 3.41Å; Y141-H151 VanDerWaalsContact CZ-CE1 3.41Å; Y141-H151 PolarHBondContact OH-CE1 2.99Å; Y141-H151 PolarHBondContact OH-NE2 2.97Å; H145-H151 AromaticContact CE1-CD2 3.68Å; H145-H151 AromaticContact CE1-CE1 3.84Å; H145-H151 AromaticContact CE1-NE2 3.36Å; H145-H151 PolarHBondContact CE1-NE2 3.24Å; H145-H151 AromaticContact NE2-CD2 3.87Å; H145-H151 AromaticContact NE2-CE1 3.25Å; H145-H151 PolarHBondContact NE2-CE1 2.69Å; H145-H151 VanDerWaalsContact NE2-CE1 3.25Å; H145-H151 AromaticContact NE2-ND1 3.98Å; H145-H151 AromaticContact NE2-NE2 3.14Å; H145-H151 PolarHBondContact NE2-NE2 3.35Å; H145-H151 VanDerWaalsContact NE2-NE2 3.14Å; H151-N153 VanDerWaalsContact C-N 3.32Å; H151-M167 WeakPolarHBondContact CA-O 3.34Å; H151-M167 PolarHBondContact ND1-O 3.44Å
152D69Low72.1Confident4 Ų458 Ų582%0.02131%0.31CS..SBendtrans-73-30.9175.1-73.9-21.6000112.5S165 M167 T188 R190 S191D152-S165 WeakPolarHBondContact OD2-CB 3.31Å; D152-S165 PolarHBondContact OD2-OG 3.31Å; D152-M167 PolarHBondContact N-O 3.39Å; D152-T188 PolarHBondContact OD1-OG1 2.88Å; D152-T188 VanDerWaalsContact OD2-CB 3.31Å; D152-T188 WeakPolarHBondContact OD2-CB 3.41Å; D152-T188 WeakPolarHBondContact OD2-CG2 3.45Å; D152-T188 PolarHBondContact OD2-OG1 3.37Å; D152-R190 PolarHBondContact O-NH1 2.99Å; D152-S191 WeakPolarHBondContact OD1-CB 3.05Å; D152-S191 PolarHBondContact OD1-N 3.08Å
153N62.6Low70.6Confident32 Ų3260.3 Ų60.317%0.17132%0.322CS..  trans-111.8105-173.5-70.24.8000110.8H151 G155 I156H151-N153 VanDerWaalsContact C-N 3.32Å; N153-G155 PolarHBondContact O-N 3.2Å; N153-I156 PolarHBondContact ND2-O 3.31Å; N153-I156 VanDerWaalsContact ND2-O 3.14Å; N153-I156 PolarHBondContact OD1-O 3.05Å
154N52.5Low69.6Low146 Ų14661.8 Ų61.878%0.78133%0.329SS*.SBendtrans-77.944.6140.9-76.6-1.6000109.5
155G45.6Very low68.9Low65 Ų6562.6 Ų62.667%0.6734%0.335SS*.SBendtrans87.921.6177.400000118.3N153N153-G155 PolarHBondContact O-N 3.2Å
156I45.5Very low68.5Low123 Ų12361.9 Ų61.963%0.63133%0.332SS*.  trans-104109.1174.2-57.9176.4000108.9N153 F158N153-I156 PolarHBondContact ND2-O 3.31Å; N153-I156 VanDerWaalsContact ND2-O 3.14Å; N153-I156 PolarHBondContact OD1-O 3.05Å; I156-F158 PolarHBondContact O-N 3Å; I156-F158 VanDerWaalsContact O-N 3.09Å
157E46.3Very low68.1Low142 Ų14261.9 Ų61.966%0.66433%0.332SS*.  trans-52.3117.1173.8-80.5179.4161.100111.2K159E157-K159 HydrophobicContact CB-CG 4.27Å; E157-K159 PolarHBondContact O-N 3.03Å
158F49.2Very low67.1Low112 Ų11262.3 Ų62.349%0.49134%0.336SS..  trans-72.597.8169.6-144.6-92.8000107.7I156 S160 T188I156-F158 PolarHBondContact O-N 3Å; I156-F158 VanDerWaalsContact O-N 3.09Å; F158-S160 PolarHBondContact O-N 3.06Å; F158-S160 VanDerWaalsContact O-N 3.1Å; F158-T188 HydrophobicContact CE1-CG2 4.41Å; F158-T188 HydrophobicContact CE2-CG2 4.36Å; F158-T188 HydrophobicContact CZ-CG2 4.2Å
159K47.3Very low65.8Low176 Ų17667.5 Ų67.577%0.76536%0.362SS*.  trans-83.543.1-174.5-67.5-171.6179-177.40113.6E157E157-K159 HydrophobicContact CB-CG 4.27Å; E157-K159 PolarHBondContact O-N 3.03Å
160S52.4Low64Low36 Ų3670.7 Ų70.725%0.25238%0.379SS..  trans-87.8114.9163.6500000108.1F158 N162 I163F158-S160 PolarHBondContact O-N 3.06Å; F158-S160 VanDerWaalsContact O-N 3.1Å; S160-N162 PolarHBondContact O-N 2.99Å; S160-I163 PolarHBondContact O-N 3.43Å; S160-I163 WeakPolarHBondContact OG-CB 3.46Å; S160-I163 PolarHBondContact OG-O 2.8Å; S160-I163 VanDerWaalsContact OG-O 3.08Å
161E54Low62.2Low172 Ų17271.7 Ų71.780%0.80438%0.382SS*.THydrogen-bonded Turntrans-58.4-18.8-173.7-66-172.9155.500114.2
162N63.5Low60.2Low75 Ų7580 Ų8040%0.40141%0.411SS..THydrogen-bonded Turntrans-126.15.9-174.9-58.6-30.1000114.3S160 S180 H183 A184S160-N162 PolarHBondContact O-N 2.99Å; N162-S180 WeakPolarHBondContact OD1-CB 3.38Å; N162-S180 PolarHBondContact OD1-OG 2.95Å; N162-H183 WeakPolarHBondContact O-CA 2.83Å; N162-A184 PolarHBondContact O-N 3.47Å
163I64.7Low58.9Low49 Ų4984.9 Ų84.925%0.25144%0.441SS..EExtended strand (participates in β ladder)trans-122.5123.8178.7-49.4177.7000109.4S160 A184 K186S160-I163 PolarHBondContact O-N 3.43Å; S160-I163 WeakPolarHBondContact OG-CB 3.46Å; S160-I163 PolarHBondContact OG-O 2.8Å; S160-I163 VanDerWaalsContact OG-O 3.08Å; I163-A184 CarbonylContact C-O 3.51Å; I163-A184 VanDerWaalsContact CA-O 3.32Å; I163-A184 WeakPolarHBondContact CA-O 3.26Å; I163-A184 WeakPolarHBondContact CG2-O 3.39Å; I163-K186 HydrophobicContact CD1-CD 4.32Å; I163-K186 HydrophobicContact CG2-CD 3.61Å; I163-K186 VanDerWaalsContact CG2-CE 3.45Å; I163-K186 HydrophobicContact CG2-CG 3.5Å; I163-K186 VanDerWaalsContact CG2-CG 3.5Å
164I75Confident58Low30 Ų3089.9 Ų89.915%0.15447%0.468CS..EExtended strand (participates in β ladder)trans-102.5128.1172.1-63176.5000108.1L166 H183 A184 Y185 K186I164-L166 PolarHBondContact O-N 3.02Å; I164-H183 HydrophobicContact CD1-CB 3.52Å; I164-H183 VanDerWaalsContact CD1-CD2 3.45Å; I164-H183 WeakPolarHBondContact CD1-CD2 3.15Å; I164-H183 VanDerWaalsContact CD1-CG 3.45Å; I164-H183 HydrophobicContact CG1-CB 3.91Å; I164-A184 PolarHBondContact N-O 2.97Å; I164-Y185 HydrophobicContact CB-CD1 3.84Å; I164-Y185 HydrophobicContact CB-CE1 3.86Å; I164-Y185 HydrophobicContact CB-CG 4.44Å; I164-Y185 HydrophobicContact CD1-CE1 3.82Å; I164-Y185 HydrophobicContact CD1-CE2 4.38Å; I164-Y185 HydrophobicContact CG1-CE1 4.44Å; I164-Y185 HydrophobicContact CG2-CD1 3.77Å; I164-Y185 HydrophobicContact CG2-CE1 3.65Å; I164-Y185 WeakPolarHBondContact O-CA 3.33Å; I164-K186 PolarHBondContact O-N 2.97Å; I164-K186 VanDerWaalsContact O-N 3.13Å
165S82.2Confident57.6Low18 Ų1888.2 Ų88.213%0.12646%0.459CS..EExtended strand (participates in β ladder)trans-72.1128.1173172.30000110.8D152 M167 G168 K186D152-S165 WeakPolarHBondContact OD2-CB 3.31Å; D152-S165 PolarHBondContact OD2-OG 3.31Å; S165-M167 PolarHBondContact O-N 3.08Å; S165-M167 PolarHBondContact OG-N 3.42Å; S165-G168 PolarHBondContact O-N 3.32Å; S165-G168 PolarHBondContact OG-N 2.92Å; S165-K186 WeakPolarHBondContact CA-O 3.43Å
166L86.4Confident57.7Low7 Ų790.8 Ų90.84%0.03746%0.461CS..THydrogen-bonded Turntrans-62.9-25.3169-72170.5000112.4F44 L137 A140 Y141 I164 Y185 K186 Y187F44-L166 HydrophobicContact CB-CD1 3.83Å; F44-L166 HydrophobicContact CD1-CD1 4.37Å; F44-L166 HydrophobicContact CD2-CD2 4.34Å; F44-L166 HydrophobicContact CE2-CD2 4.43Å; F44-L166 HydrophobicContact CG-CD1 4.02Å; F44-L166 HydrophobicContact CG-CD2 4.49Å; L137-L166 HydrophobicContact CD2-CD2 3.56Å; A140-L166 HydrophobicContact CB-CD1 4.26Å; A140-L166 HydrophobicContact CB-CD2 3.95Å; Y141-L166 WeakPolarHBondContact CD2-O 3.48Å; I164-L166 PolarHBondContact O-N 3.02Å; L166-Y185 HydrophobicContact CD2-CD1 4.3Å; L166-K186 PolarHBondContact N-O 3.47Å; L166-Y187 HydrophobicContact CB-CD1 4.06Å; L166-Y187 HydrophobicContact CB-CE1 4Å; L166-Y187 HydrophobicContact CD1-CD1 4.32Å; L166-Y187 HydrophobicContact CD1-CD2 3.8Å; L166-Y187 HydrophobicContact CD1-CE1 4.19Å; L166-Y187 HydrophobicContact CD1-CE2 3.65Å; L166-Y187 HydrophobicContact CD1-CG 4.14Å
167M86.1Confident57.7Low0 Ų092.3 Ų92.30%047%0.47CS..THydrogen-bonded Turntrans-104.911.8179-56.4-55.5-63.800112.8H145 M149 H151 D152 S165 Y187H145-M167 WeakPolarHBondContact CD2-CE 3.48Å; H145-M167 WeakPolarHBondContact NE2-CE 3.44Å; M149-M167 HydrophobicContact CB-CE 4.04Å; M149-M167 HydrophobicContact CB-CG 4.34Å; M149-M167 HydrophobicContact CB-SD 4.44Å; M149-M167 WeakPolarHBondContact O-CE 3.27Å; H151-M167 WeakPolarHBondContact CA-O 3.34Å; H151-M167 PolarHBondContact ND1-O 3.44Å; D152-M167 PolarHBondContact N-O 3.39Å; S165-M167 PolarHBondContact O-N 3.08Å; S165-M167 PolarHBondContact OG-N 3.42Å; M167-Y187 HydrophobicContact CG-CD1 3.63Å; M167-Y187 HydrophobicContact CG-CE1 3.98Å; M167-Y187 HydrophobicContact SD-CD1 4.03Å; M167-Y187 HydrophobicContact SD-CE1 3.72Å
168G76.2Confident57.7Low8 Ų892.4 Ų92.48%0.08247%0.469CS..SBendtrans-73.3178.8170.500000112S165 L170S165-G168 PolarHBondContact O-N 3.32Å; S165-G168 PolarHBondContact OG-N 2.92Å; G168-L170 PolarHBondContact O-N 2.03Å
169D63.8Low57.5Low117 Ų11796.3 Ų96.363%0.62649%0.485SS*.SBendtrans-62111.2163.3-69.8-30000106.9C171D169-C171 PolarHBondContact O-N 2.89Å
170L56.6Low57.4Low69 Ų6990.1 Ų90.136%0.36146%0.464SS..  trans-42.7116.4178.7-119.278.8000108L108 Q138 Y141 G168 R172L108-L170 HydrophobicContact CD1-CD2 4.45Å; Q138-L170 HydrophobicContact CG-CD2 4.38Å; Y141-L170 HydrophobicContact CD1-CD1 4.5Å; Y141-L170 HydrophobicContact CD2-CD1 3.23Å; Y141-L170 HydrophobicContact CE2-CD1 3.69Å; Y141-L170 HydrophobicContact CG-CD1 3.67Å; G168-L170 PolarHBondContact O-N 2.03Å; L170-R172 PolarHBondContact O-N 2.94Å
171C44.6Very low57.3Low71 Ų7198.8 Ų98.848%0.4849%0.493SS..  trans-45.9112.1-164.7-69.20000110.7D169 T173D169-C171 PolarHBondContact O-N 2.89Å; C171-T173 PolarHBondContact O-N 3.5Å
172R41.5Very low57.2Low229 Ų22997.1 Ų97.186%0.86449%0.488SS*.  trans-57.2113.9156.2-83-179.6158.1-178.6-4.3104.9L170 N174L170-R172 PolarHBondContact O-N 2.94Å; R172-N174 PolarHBondContact O-N 2.83Å
173T41.9Very low57.3Low105 Ų10597.2 Ų97.264%0.64449%0.486SS*.THydrogen-bonded Turntrans-64.130.2-171.553.90000114.6C171 V176C171-T173 PolarHBondContact O-N 3.5Å; T173-V176 WeakPolarHBondContact O-CG2 3.11Å
174N42Very low57.4Low138 Ų13897.3 Ų97.374%0.73849%0.494SS*.THydrogen-bonded Turntrans-97.6-6.7-178.1-73.3-2.8000113.5R172 V176R172-N174 PolarHBondContact O-N 2.83Å; N174-V176 VanDerWaalsContact C-N 3.31Å; N174-V176 PolarHBondContact O-N 2.91Å
175D45.5Very low57.6Low111 Ų11198.3 Ų98.359%0.59450%0.496SS*.  trans-93.419.9-178.7-123.314.1000114N177 K178D175-N177 PolarHBondContact O-N 3.07Å; D175-K178 PolarHBondContact O-N 3.46Å; D175-K178 IonicContact OD2-NZ 3.81Å
176V46.6Very low57.7Low119 Ų119100.4 Ų100.472%0.72150%0.504SS*.THydrogen-bonded Turntrans-63.2-3.8-179.8-150.20000113.6T173 N174T173-V176 WeakPolarHBondContact O-CG2 3.11Å; N174-V176 VanDerWaalsContact C-N 3.31Å; N174-V176 PolarHBondContact O-N 2.91Å
177N45.7Very low57.8Low154 Ų154100.5 Ų100.582%0.82450%0.503SS*.THydrogen-bonded Turntrans-88.60.6-178.1-71.8-14.7000114.5D175D175-N177 PolarHBondContact O-N 3.07Å
178K46.7Very low57.7Low144 Ų144100.8 Ų100.863%0.62651%0.505SS*.SBendtrans-93.7115.5172.5-74.6178.3-175.5160.10110.3D175 S180D175-K178 PolarHBondContact O-N 3.46Å; D175-K178 IonicContact OD2-NZ 3.81Å; K178-S180 PolarHBondContact O-N 2.72Å
179K45.3Very low58Low194 Ų194106.4 Ų106.484%0.84353%0.533SS*.  trans-61.916.8-173.2-76.4-179.4171.3179.40116.8
180S45.6Very low59Low46 Ų46107 Ų10732%0.32253%0.527SS..  trans-97.4103.9175.2-143.30000108.5N162 K178 I182 H183N162-S180 WeakPolarHBondContact OD1-CB 3.38Å; N162-S180 PolarHBondContact OD1-OG 2.95Å; K178-S180 PolarHBondContact O-N 2.72Å; S180-I182 PolarHBondContact O-N 2.88Å; S180-H183 PolarHBondContact O-CE1 2.59Å; S180-H183 VanDerWaalsContact O-CE1 3.25Å
181Y49.5Very low60.5Low219 Ų219103.7 Ų103.786%0.85951%0.51SS*.  trans-76-4-177.4-65.7-80.7000113.5
182I53Low62.6Low136 Ų136101.5 Ų101.570%0.69749%0.494SS*.  trans-112.195-175.2-51.3176000108.4S180S180-I182 PolarHBondContact O-N 2.88Å
183H63.8Low64.8Low77 Ų7795.4 Ų95.436%0.35648%0.475SS..PPolyproline II helixtrans-100117.7167.6-6396.2000108.7N162 I164 S180 Y185N162-H183 WeakPolarHBondContact O-CA 2.83Å; I164-H183 HydrophobicContact CD1-CB 3.52Å; I164-H183 VanDerWaalsContact CD1-CD2 3.45Å; I164-H183 WeakPolarHBondContact CD1-CD2 3.15Å; I164-H183 VanDerWaalsContact CD1-CG 3.45Å; I164-H183 HydrophobicContact CG1-CB 3.91Å; S180-H183 PolarHBondContact O-CE1 2.59Å; S180-H183 VanDerWaalsContact O-CE1 3.25Å; H183-Y185 HydrophobicContact CB-CE2 3.96Å; H183-Y185 WeakPolarHBondContact O-CD2 3.14Å
184A68.2Low67.1Low52 Ų5291.1 Ų91.143%0.4345%0.452SS..EExtended strand (participates in β ladder)trans-80.312316700000108.8N162 I163 I164N162-A184 PolarHBondContact O-N 3.47Å; I163-A184 CarbonylContact C-O 3.51Å; I163-A184 VanDerWaalsContact CA-O 3.32Å; I163-A184 WeakPolarHBondContact CA-O 3.26Å; I163-A184 WeakPolarHBondContact CG2-O 3.39Å; I164-A184 PolarHBondContact N-O 2.97Å
185Y79.4Confident69.6Low50 Ų5084.6 Ų84.620%0.19642%0.417CS..EExtended strand (participates in β ladder)trans-94.5120.1176.4-69.2-98.7000109.1F133 L137 I164 L166 H183F133-Y185 AromaticContact CE1-CE2 3.92Å; F133-Y185 HydrophobicContact CE1-CE2 3.92Å; F133-Y185 AromaticContact CE1-CZ 3.99Å; F133-Y185 AromaticContact CZ-CD2 3.69Å; F133-Y185 HydrophobicContact CZ-CD2 3.69Å; F133-Y185 AromaticContact CZ-CE2 3.5Å; F133-Y185 HydrophobicContact CZ-CE2 3.5Å; F133-Y185 VanDerWaalsContact CZ-CE2 3.5Å; F133-Y185 HydrophobicContact CZ-CG 4.32Å; F133-Y185 AromaticContact CZ-CZ 3.98Å; L137-Y185 HydrophobicContact CD1-CD1 4.27Å; L137-Y185 HydrophobicContact CD1-CE1 3.74Å; L137-Y185 HydrophobicContact CD2-CD1 3.4Å; L137-Y185 HydrophobicContact CD2-CE1 3.77Å; L137-Y185 HydrophobicContact CD2-CG 3.86Å; L137-Y185 HydrophobicContact CG-CD1 4.5Å; L137-Y185 HydrophobicContact CG-CE1 4.44Å; I164-Y185 HydrophobicContact CB-CD1 3.84Å; I164-Y185 HydrophobicContact CB-CE1 3.86Å; I164-Y185 HydrophobicContact CB-CG 4.44Å; I164-Y185 HydrophobicContact CD1-CE1 3.82Å; I164-Y185 HydrophobicContact CD1-CE2 4.38Å; I164-Y185 HydrophobicContact CG1-CE1 4.44Å; I164-Y185 HydrophobicContact CG2-CD1 3.77Å; I164-Y185 HydrophobicContact CG2-CE1 3.65Å; I164-Y185 WeakPolarHBondContact O-CA 3.33Å; L166-Y185 HydrophobicContact CD2-CD1 4.3Å; H183-Y185 HydrophobicContact CB-CE2 3.96Å; H183-Y185 WeakPolarHBondContact O-CD2 3.14Å
186K84.2Confident71.6Confident63 Ų6380 Ų8027%0.27439%0.392SS..EExtended strand (participates in β ladder)trans-143.6156-179.573.2-178.4-168.9168.50112.9I163 I164 S165 L166I163-K186 HydrophobicContact CD1-CD 4.32Å; I163-K186 HydrophobicContact CG2-CD 3.61Å; I163-K186 VanDerWaalsContact CG2-CE 3.45Å; I163-K186 HydrophobicContact CG2-CG 3.5Å; I163-K186 VanDerWaalsContact CG2-CG 3.5Å; I164-K186 PolarHBondContact O-N 2.97Å; I164-K186 VanDerWaalsContact O-N 3.13Å; S165-K186 WeakPolarHBondContact CA-O 3.43Å; L166-K186 PolarHBondContact N-O 3.47Å
187Y87.5Confident73.6Confident9 Ų980.8 Ų80.84%0.03539%0.388CS..  trans-69.9130.1159.4-60.9-75.9000107.9F44 L45 V48 A140 M149 L166 M167F44-Y187 HydrophobicContact CB-CE2 4.49Å; L45-Y187 HydrophobicContact CD2-CE2 4.01Å; V48-Y187 HydrophobicContact CG1-CD2 4.07Å; V48-Y187 HydrophobicContact CG1-CG 4.38Å; V48-Y187 HydrophobicContact CG2-CD2 4.36Å; A140-Y187 VanDerWaalsContact C-OH 3.28Å; A140-Y187 WeakPolarHBondContact CA-OH 3.41Å; A140-Y187 WeakPolarHBondContact CB-OH 3.21Å; A140-Y187 PolarHBondContact O-OH 2.88Å; M149-Y187 HydrophobicContact CE-CD1 4.38Å; M149-Y187 HydrophobicContact CE-CG 4.45Å; M149-Y187 HydrophobicContact SD-CD1 3.26Å; M149-Y187 WeakPolarHBondContact SD-CD1 3.45Å; M149-Y187 HydrophobicContact SD-CD2 4.49Å; M149-Y187 HydrophobicContact SD-CE1 3.52Å; M149-Y187 VanDerWaalsContact SD-CE1 3.52Å; M149-Y187 HydrophobicContact SD-CG 3.8Å; L166-Y187 HydrophobicContact CB-CD1 4.06Å; L166-Y187 HydrophobicContact CB-CE1 4Å; L166-Y187 HydrophobicContact CD1-CD1 4.32Å; L166-Y187 HydrophobicContact CD1-CD2 3.8Å; L166-Y187 HydrophobicContact CD1-CE1 4.19Å; L166-Y187 HydrophobicContact CD1-CE2 3.65Å; L166-Y187 HydrophobicContact CD1-CG 4.14Å; M167-Y187 HydrophobicContact CG-CD1 3.63Å; M167-Y187 HydrophobicContact CG-CE1 3.98Å; M167-Y187 HydrophobicContact SD-CD1 4.03Å; M167-Y187 HydrophobicContact SD-CE1 3.72Å
188T84.4Confident75.6Confident5 Ų573.8 Ų73.83%0.03135%0.351CS..  trans-84.3158.1175.777.90000110.3D152 F158 R190 S191 V192D152-T188 PolarHBondContact OD1-OG1 2.88Å; D152-T188 VanDerWaalsContact OD2-CB 3.31Å; D152-T188 WeakPolarHBondContact OD2-CB 3.41Å; D152-T188 WeakPolarHBondContact OD2-CG2 3.45Å; D152-T188 PolarHBondContact OD2-OG1 3.37Å; F158-T188 HydrophobicContact CE1-CG2 4.41Å; F158-T188 HydrophobicContact CE2-CG2 4.36Å; F158-T188 HydrophobicContact CZ-CG2 4.2Å; T188-R190 PolarHBondContact O-N 3.07Å; T188-S191 PolarHBondContact N-OG 3.21Å; T188-S191 VanDerWaalsContact N-OG 3.15Å; T188-S191 PolarHBondContact O-N 3.1Å; T188-S191 PolarHBondContact O-OG 2.01Å; T188-V192 WeakPolarHBondContact O-CG2 3.3Å; T188-V192 PolarHBondContact O-N 3.1Å
189D83Confident77.3Confident127 Ų12767.4 Ų67.468%0.67932%0.323SS*.Hα-helixtrans-51.7-32.6-179.7-52-21.8000112.6Q193D189-Q193 WeakPolarHBondContact O-CG 3.42Å; D189-Q193 PolarHBondContact O-N 2.8Å
190R83.8Confident78.9Confident129 Ų12963.4 Ų63.449%0.48731%0.311SS..Hα-helixtrans-65.5-52.3176.7179.9-179.2178.9169.27.8111.8D152 T188 V192 Q193D152-R190 PolarHBondContact O-NH1 2.99Å; T188-R190 PolarHBondContact O-N 3.07Å; R190-V192 VanDerWaalsContact C-N 3.26Å; R190-V192 PolarHBondContact O-N 2.82Å; R190-Q193 WeakPolarHBondContact O-CB 2.97Å; R190-Q193 PolarHBondContact O-N 2.9Å
191S87.8Confident80.5Confident0 Ų064.1 Ų64.10%032%0.316CS..Hα-helixtrans-60.2-39177660000111.8M149 A150 D152 T188 Q193 G194M149-S191 VanDerWaalsContact CA-O 3.31Å; M149-S191 WeakPolarHBondContact CA-O 3.36Å; M149-S191 WeakPolarHBondContact CB-O 3.29Å; M149-S191 WeakPolarHBondContact CG-O 3.5Å; A150-S191 VanDerWaalsContact O-CB 3.31Å; A150-S191 WeakPolarHBondContact O-CB 3.5Å; D152-S191 WeakPolarHBondContact OD1-CB 3.05Å; D152-S191 PolarHBondContact OD1-N 3.08Å; T188-S191 PolarHBondContact N-OG 3.21Å; T188-S191 VanDerWaalsContact N-OG 3.15Å; T188-S191 PolarHBondContact O-N 3.1Å; T188-S191 PolarHBondContact O-OG 2.01Å; S191-Q193 VanDerWaalsContact C-N 3.28Å; S191-Q193 PolarHBondContact O-N 2.88Å; S191-G194 PolarHBondContact O-N 3.21Å
192V90.3Very high81.7Confident25 Ų2555.8 Ų55.815%0.15230%0.297CS..Hα-helixtrans-64.8-29.4-179.9175.30000112.2V48 T188 R190 G194 F195 L196V48-V192 HydrophobicContact CG1-CG1 4.47Å; V48-V192 HydrophobicContact CG1-CG2 3.6Å; T188-V192 WeakPolarHBondContact O-CG2 3.3Å; T188-V192 PolarHBondContact O-N 3.1Å; R190-V192 VanDerWaalsContact C-N 3.26Å; R190-V192 PolarHBondContact O-N 2.82Å; V192-G194 VanDerWaalsContact C-N 3.28Å; V192-G194 PolarHBondContact O-N 2.85Å; V192-F195 WeakPolarHBondContact O-CB 3.39Å; V192-F195 PolarHBondContact O-N 3.28Å; V192-L196 HydrophobicContact CG1-CD1 4.17Å; V192-L196 HydrophobicContact CG1-CG 4.08Å; V192-L196 WeakPolarHBondContact O-CG 3.27Å; V192-L196 PolarHBondContact O-N 2.78Å
193Q87.6Confident83Confident100 Ų10054.2 Ų54.247%0.46729%0.286SS..Hα-helixtrans-56.5-40.9175.5-68.7-49.3-56.200112.7D189 R190 S191 F195 L196 E197D189-Q193 WeakPolarHBondContact O-CG 3.42Å; D189-Q193 PolarHBondContact O-N 2.8Å; R190-Q193 WeakPolarHBondContact O-CB 2.97Å; R190-Q193 PolarHBondContact O-N 2.9Å; S191-Q193 VanDerWaalsContact C-N 3.28Å; S191-Q193 PolarHBondContact O-N 2.88Å; Q193-F195 VanDerWaalsContact C-N 3.29Å; Q193-F195 PolarHBondContact O-N 3.49Å; Q193-L196 PolarHBondContact O-N 2.73Å; Q193-L196 VanDerWaalsContact O-N 3.16Å; Q193-E197 WeakPolarHBondContact O-CG 3.26Å; Q193-E197 PolarHBondContact O-N 3.5Å
194G90.3Very high84Confident16 Ų1650.6 Ų50.617%0.16527%0.27CS..Hα-helixtrans-63-37177.500000112.6G148 S191 V192 L198G148-G194 CarbonylContact O-C 3.54Å; G148-G194 WeakPolarHBondContact O-CA 3.49Å; S191-G194 PolarHBondContact O-N 3.21Å; V192-G194 VanDerWaalsContact C-N 3.28Å; V192-G194 PolarHBondContact O-N 2.85Å; G194-L198 PolarHBondContact O-N 3.21Å
195F92.9Very high84.5Confident1 Ų155.5 Ų55.50%0.00428%0.278CS..Hα-helixtrans-65.9-42.9172.7174.4-128.5000112.2V50 L147 M149 V192 Q193 E197 L198 M199 M207V50-F195 HydrophobicContact CG2-CE1 3.92Å; V50-F195 HydrophobicContact CG2-CZ 3.65Å; L147-F195 HydrophobicContact CB-CD2 3.84Å; L147-F195 HydrophobicContact CB-CE2 4.27Å; L147-F195 HydrophobicContact CD1-CD2 4.5Å; L147-F195 HydrophobicContact CD1-CE2 4.28Å; L147-F195 HydrophobicContact CD2-CE2 4.14Å; L147-F195 HydrophobicContact CG-CE2 4.47Å; L147-F195 WeakPolarHBondContact O-CA 3.23Å; L147-F195 WeakPolarHBondContact O-CD2 3.31Å; M149-F195 HydrophobicContact CE-CB 3.73Å; M149-F195 HydrophobicContact CE-CD1 3.86Å; M149-F195 HydrophobicContact CE-CG 3.79Å; M149-F195 HydrophobicContact CG-CB 3.77Å; V192-F195 WeakPolarHBondContact O-CB 3.39Å; V192-F195 PolarHBondContact O-N 3.28Å; Q193-F195 VanDerWaalsContact C-N 3.29Å; Q193-F195 PolarHBondContact O-N 3.49Å; F195-E197 PolarHBondContact O-N 3.47Å; F195-L198 WeakPolarHBondContact O-CB 3.49Å; F195-L198 PolarHBondContact O-N 3.36Å; F195-M199 HydrophobicContact CD2-CG 4.02Å; F195-M199 HydrophobicContact CD2-SD 4.49Å; F195-M199 HydrophobicContact CE1-CG 4.42Å; F195-M199 HydrophobicContact CE2-CG 3.67Å; F195-M199 HydrophobicContact CE2-SD 3.64Å; F195-M199 HydrophobicContact CZ-CG 3.9Å; F195-M199 HydrophobicContact CZ-SD 3.84Å; F195-M199 VanDerWaalsContact O-CG 3.26Å; F195-M199 WeakPolarHBondContact O-CG 3.28Å; F195-M199 PolarHBondContact O-N 2.75Å; F195-M207 HydrophobicContact CE2-CE 4.35Å; F195-M207 HydrophobicContact CE2-SD 4.31Å; F195-M207 HydrophobicContact CZ-CE 4.34Å
196L88.2Confident84.6Confident13 Ų1353.9 Ų53.97%0.06827%0.274CS..Hα-helixtrans-65.2-38.2177.6-62.4178.3000112.4E3 V192 Q193 M199 N200E3-L196 HydrophobicContact CG-CD1 3.82Å; E3-L196 HydrophobicContact CG-CD2 3.52Å; E3-L196 HydrophobicContact CG-CG 4.32Å; E3-L196 WeakPolarHBondContact OE1-CD1 3.32Å; V192-L196 HydrophobicContact CG1-CD1 4.17Å; V192-L196 HydrophobicContact CG1-CG 4.08Å; V192-L196 WeakPolarHBondContact O-CG 3.27Å; V192-L196 PolarHBondContact O-N 2.78Å; Q193-L196 PolarHBondContact O-N 2.73Å; Q193-L196 VanDerWaalsContact O-N 3.16Å; L196-M199 PolarHBondContact O-N 3.5Å; L196-N200 VanDerWaalsContact O-CB 3.31Å; L196-N200 WeakPolarHBondContact O-CB 3.31Å; L196-N200 PolarHBondContact O-N 2.72Å; L196-N200 PolarHBondContact O-ND2 2.77Å
197E89.2Confident84.6Confident137 Ų13750.9 Ų50.964%0.6426%0.261SS*.Hα-helixtrans-61.7-44.9172.6-72.8176.5-173.300111.6Q193 F195 M199 N200 S201Q193-E197 WeakPolarHBondContact O-CG 3.26Å; Q193-E197 PolarHBondContact O-N 3.5Å; F195-E197 PolarHBondContact O-N 3.47Å; E197-M199 PolarHBondContact O-N 3.3Å; E197-N200 PolarHBondContact O-N 2.69Å; E197-S201 WeakPolarHBondContact O-CB 2.94Å; E197-S201 PolarHBondContact O-N 3.48Å
198L87.1Confident84.1Confident6 Ų654.7 Ų54.73%0.03128%0.278CS..Hα-helixtrans-59.2-46.5175.5-173.372.7000111.5N113 V115 L147 G194 F195 S201 Q203 A204N113-L198 HydrophobicContact CB-CD1 4.46Å; V115-L198 HydrophobicContact CG1-CD2 3.67Å; L147-L198 VanDerWaalsContact C-CD2 3.44Å; L147-L198 WeakPolarHBondContact O-CD2 3.46Å; G194-L198 PolarHBondContact O-N 3.21Å; F195-L198 WeakPolarHBondContact O-CB 3.49Å; F195-L198 PolarHBondContact O-N 3.36Å; L198-S201 PolarHBondContact O-N 3.41Å; L198-S201 PolarHBondContact O-OG 3.26Å; L198-Q203 HydrophobicContact CD1-CB 3.74Å; L198-Q203 HydrophobicContact CD1-CG 4.46Å; L198-Q203 HydrophobicContact CG-CB 4.31Å; L198-A204 HydrophobicContact CG-CB 4.49Å
199M81.4Confident83.3Confident10 Ų1057.6 Ų57.65%0.04929%0.293CS..Hα-helixtrans-60.9-49.5176.3-68.4-67.8-56.600111.9I2 K7 F195 L196 E197 S201 G202 A204 M207 F208I2-M199 HydrophobicContact CG2-CB 4.05Å; I2-M199 HydrophobicContact CG2-CE 4.03Å; K7-M199 HydrophobicContact CD-CE 4.26Å; K7-M199 HydrophobicContact CG-CE 3.89Å; F195-M199 HydrophobicContact CD2-CG 4.02Å; F195-M199 HydrophobicContact CD2-SD 4.49Å; F195-M199 HydrophobicContact CE1-CG 4.42Å; F195-M199 HydrophobicContact CE2-CG 3.67Å; F195-M199 HydrophobicContact CE2-SD 3.64Å; F195-M199 HydrophobicContact CZ-CG 3.9Å; F195-M199 HydrophobicContact CZ-SD 3.84Å; F195-M199 VanDerWaalsContact O-CG 3.26Å; F195-M199 WeakPolarHBondContact O-CG 3.28Å; F195-M199 PolarHBondContact O-N 2.75Å; L196-M199 PolarHBondContact O-N 3.5Å; E197-M199 PolarHBondContact O-N 3.3Å; M199-S201 PolarHBondContact O-N 2.93Å; M199-G202 PolarHBondContact O-N 2.9Å; M199-A204 HydrophobicContact CE-CB 4.47Å; M199-A204 HydrophobicContact CG-CB 4.39Å; M199-A204 HydrophobicContact SD-CB 3.32Å; M199-A204 WeakPolarHBondContact SD-CB 3.03Å; M199-M207 HydrophobicContact SD-SD 4.49Å; M199-F208 HydrophobicContact CE-CE1 4.11Å; M199-F208 HydrophobicContact CE-CE2 3.42Å; M199-F208 VanDerWaalsContact CE-CE2 3.42Å; M199-F208 HydrophobicContact CE-CZ 3.16Å
200N80.4Confident82.4Confident110 Ų11054.4 Ų54.459%0.58828%0.275SS*.Hα-helixtrans-65-24.6-178.9-73.8-35.6000112.9I2 L196 E197 G202I2-N200 VanDerWaalsContact CD1-OD1 3.28Å; I2-N200 WeakPolarHBondContact CD1-OD1 3.37Å; L196-N200 VanDerWaalsContact O-CB 3.31Å; L196-N200 WeakPolarHBondContact O-CB 3.31Å; L196-N200 PolarHBondContact O-N 2.72Å; L196-N200 PolarHBondContact O-ND2 2.77Å; E197-N200 PolarHBondContact O-N 2.69Å; N200-G202 PolarHBondContact O-N 3.16Å
201S79.4Confident81.5Confident62 Ų6248.8 Ų48.843%0.43426%0.255SS..THydrogen-bonded Turntrans-75.3-10.117479.30000114E197 L198 M199 Q203E197-S201 WeakPolarHBondContact O-CB 2.94Å; E197-S201 PolarHBondContact O-N 3.48Å; L198-S201 PolarHBondContact O-N 3.41Å; L198-S201 PolarHBondContact O-OG 3.26Å; M199-S201 PolarHBondContact O-N 2.93Å; S201-Q203 VanDerWaalsContact C-N 3.27Å; S201-Q203 PolarHBondContact O-N 3.47Å; S201-Q203 WeakPolarHBondContact OG-CB 3.26Å; S201-Q203 VanDerWaalsContact OG-CG 3.26Å; S201-Q203 WeakPolarHBondContact OG-CG 3.07Å; S201-Q203 PolarHBondContact OG-N 3.39Å; S201-Q203 PolarHBondContact OG-NE2 3.05Å
202G73.1Confident79.9Confident43 Ų4355.4 Ų55.444%0.44330%0.296SS..THydrogen-bonded Turntrans78.33.2-175.800000114.6M199 N200 A204 Y205M199-G202 PolarHBondContact O-N 2.9Å; N200-G202 PolarHBondContact O-N 3.16Å; G202-A204 VanDerWaalsContact C-N 3.28Å; G202-A204 PolarHBondContact O-N 2.95Å; G202-Y205 PolarHBondContact O-N 3.39Å
203Q81.2Confident78.1Confident104 Ų10458.1 Ų58.149%0.48631%0.307SS..THydrogen-bonded Turntrans-68.2-28.1179.8-73.3173.95700112.8C116 L198 S201 Y205C116-Q203 WeakPolarHBondContact CB-O 3.19Å; L198-Q203 HydrophobicContact CD1-CB 3.74Å; L198-Q203 HydrophobicContact CD1-CG 4.46Å; L198-Q203 HydrophobicContact CG-CB 4.31Å; S201-Q203 VanDerWaalsContact C-N 3.27Å; S201-Q203 PolarHBondContact O-N 3.47Å; S201-Q203 WeakPolarHBondContact OG-CB 3.26Å; S201-Q203 VanDerWaalsContact OG-CG 3.26Å; S201-Q203 WeakPolarHBondContact OG-CG 3.07Å; S201-Q203 PolarHBondContact OG-N 3.39Å; S201-Q203 PolarHBondContact OG-NE2 3.05Å; Q203-Y205 VanDerWaalsContact C-N 3.29Å; Q203-Y205 PolarHBondContact O-N 3.16Å
204A83.9Confident76.4Confident1 Ų165.3 Ų65.31%0.00833%0.33CS..THydrogen-bonded Turntrans-90.927.8179.100000113.7V115 C116 L198 M199 G202 C206 M207V115-A204 HydrophobicContact CG1-CB 4.01Å; C116-A204 VanDerWaalsContact SG-C 3.53Å; C116-A204 VanDerWaalsContact SG-CA 3.57Å; L198-A204 HydrophobicContact CG-CB 4.49Å; M199-A204 HydrophobicContact CE-CB 4.47Å; M199-A204 HydrophobicContact CG-CB 4.39Å; M199-A204 HydrophobicContact SD-CB 3.32Å; M199-A204 WeakPolarHBondContact SD-CB 3.03Å; G202-A204 VanDerWaalsContact C-N 3.28Å; G202-A204 PolarHBondContact O-N 2.95Å; A204-C206 PolarHBondContact O-N 2.94Å; A204-M207 HydrophobicContact CB-SD 4.07Å; A204-M207 PolarHBondContact O-N 3.25Å
205Y79.8Confident74.6Confident155 Ų15570 Ų7061%0.60835%0.351SS*.G310 helixtrans-59.5-29.3-175.171.8-83.5000114.2C116 G202 Q203 M207C116-Y205 HydrophobicContact CB-CD1 4.15Å; C116-Y205 HydrophobicContact CB-CE1 3.71Å; G202-Y205 PolarHBondContact O-N 3.39Å; Q203-Y205 VanDerWaalsContact C-N 3.29Å; Q203-Y205 PolarHBondContact O-N 3.16Å; Y205-M207 VanDerWaalsContact C-N 3.27Å; Y205-M207 PolarHBondContact O-N 2.9Å
206C81.2Confident73Confident16 Ų1672.4 Ų72.411%0.10837%0.368CS..G310 helixtrans-62.6-37.7-179.364.70000110.6D93 C116 A204 F208 N209D93-C206 VanDerWaalsContact OD1-CB 3.29Å; D93-C206 WeakPolarHBondContact OD1-CB 3.5Å; D93-C206 PolarHBondContact OD1-SG 3.18Å; C116-C206 WeakPolarHBondContact CA-SG 3.41Å; C116-C206 HydrophobicContact CB-CB 3.71Å; C116-C206 WeakPolarHBondContact CB-SG 3.04Å; C116-C206 WeakPolarHBondContact SG-CB 3.27Å; C116-C206 PolarHBondContact SG-N 2.81Å; C116-C206 CovalentContact SG-SG 2.01Å; C116-C206 PolarHBondContact SG-SG 3Å; A204-C206 PolarHBondContact O-N 2.94Å; C206-F208 PolarHBondContact O-N 2.9Å; C206-N209 VanDerWaalsContact O-CG 3.28Å; C206-N209 PolarHBondContact O-N 2.8Å; C206-N209 PolarHBondContact O-OD1 3.34Å
207M84.3Confident71.7Confident0 Ų078.4 Ų78.40%039%0.394CS..G310 helixtrans-66.3-0.9-171.3-56.9179.562.600116K7 Y8 L9 V50 V115 L147 F195 M199 A204 Y205K7-M207 CarbonylContact C-O 3.23Å; K7-M207 WeakPolarHBondContact CA-O 3.23Å; K7-M207 HydrophobicContact CB-CB 4.04Å; K7-M207 HydrophobicContact CB-CE 4.05Å; K7-M207 WeakPolarHBondContact CB-O 3.19Å; Y8-M207 PolarHBondContact N-O 3.06Å; Y8-M207 CarbonylContact O-C 3.59Å; Y8-M207 WeakPolarHBondContact O-CA 3.1Å; Y8-M207 VanDerWaalsContact O-CB 3.3Å; Y8-M207 WeakPolarHBondContact O-CB 3.5Å; L9-M207 HydrophobicContact CB-CE 4.29Å; L9-M207 HydrophobicContact CD1-CE 4.11Å; L9-M207 HydrophobicContact CD1-CG 4.19Å; L9-M207 HydrophobicContact CD1-SD 4.26Å; V50-M207 HydrophobicContact CG1-CE 3.85Å; V50-M207 HydrophobicContact CG2-CE 4.04Å; V115-M207 HydrophobicContact CG2-CG 4.2Å; V115-M207 HydrophobicContact CG2-SD 4.01Å; L147-M207 HydrophobicContact CD2-CE 3.85Å; L147-M207 HydrophobicContact CD2-SD 3.56Å; L147-M207 VanDerWaalsContact CD2-SD 3.56Å; F195-M207 HydrophobicContact CE2-CE 4.35Å; F195-M207 HydrophobicContact CE2-SD 4.31Å; F195-M207 HydrophobicContact CZ-CE 4.34Å; M199-M207 HydrophobicContact SD-SD 4.49Å; A204-M207 HydrophobicContact CB-SD 4.07Å; A204-M207 PolarHBondContact O-N 3.25Å; Y205-M207 VanDerWaalsContact C-N 3.27Å; Y205-M207 PolarHBondContact O-N 2.9Å
208F75.9Confident70.5Confident88 Ų8872.6 Ų72.639%0.38637%0.368SS..G310 helixtrans-94.5-1.4173.7-63.9-81.2000112.7E5 K7 M199 C206E5-F208 HydrophobicContact CG-CE1 4.33Å; K7-F208 HydrophobicContact CG-CE1 4.21Å; M199-F208 HydrophobicContact CE-CE1 4.11Å; M199-F208 HydrophobicContact CE-CE2 3.42Å; M199-F208 VanDerWaalsContact CE-CE2 3.42Å; M199-F208 HydrophobicContact CE-CZ 3.16Å; C206-F208 PolarHBondContact O-N 2.9Å
209N68.5Low69.2Low66 Ų6673 Ų7335%0.35337%0.374SS..SBendtrans-82.8127.4168.375.3-33.4000109.6E10 C206E10-N209 PolarHBondContact OE1-ND2 3.1Å; C206-N209 VanDerWaalsContact O-CG 3.28Å; C206-N209 PolarHBondContact O-N 2.8Å; C206-N209 PolarHBondContact O-OD1 3.34Å
210M65.1Low68.4Low60 Ų6075 Ų7530%0.29639%0.385SS..PPolyproline II helixtrans-80133.1172.2-167.6176.1-61.300109.8Y8 T212 I222 I223Y8-M210 HydrophobicContact CD1-CG 4.42Å; Y8-M210 HydrophobicContact CD2-CB 4.39Å; Y8-M210 HydrophobicContact CD2-CG 4.41Å; Y8-M210 HydrophobicContact CE1-CE 4.24Å; Y8-M210 HydrophobicContact CE1-CG 4.35Å; Y8-M210 HydrophobicContact CE2-CB 4.48Å; Y8-M210 HydrophobicContact CE2-CE 3.69Å; Y8-M210 HydrophobicContact CE2-CG 4.34Å; Y8-M210 HydrophobicContact CG-CG 4.47Å; Y8-M210 VanDerWaalsContact CZ-CE 3.48Å; Y8-M210 VanDerWaalsContact OH-CE 3.29Å; Y8-M210 WeakPolarHBondContact OH-CE 3.29Å; M210-T212 PolarHBondContact O-N 2.87Å; M210-I222 HydrophobicContact CE-CG2 4.4Å; M210-I222 HydrophobicContact CG-CG2 4.35Å; M210-I222 HydrophobicContact SD-CG2 3.66Å; M210-I223 HydrophobicContact CE-CB 3.76Å; M210-I223 WeakPolarHBondContact CE-O 3.39Å; M210-I223 VanDerWaalsContact SD-C 3.52Å
211P63.1Low67.5Low11 Ų1170.9 Ų70.97%0.07137%0.368CS..PPolyproline II helixtrans-64.4131.517225-32.7000109.4E10 Q213E10-P211 HydrophobicContact CG-CB 4.3Å; E10-P211 WeakPolarHBondContact OE1-CA 3.49Å; P211-Q213 PolarHBondContact O-N 2.93Å
212T55.3Low66.8Low139 Ų13968.9 Ų68.985%0.85335%0.353SS*.  trans-62.8108.2174.652.90000109.8M210M210-T212 PolarHBondContact O-N 2.87Å
213Q51.4Low66.4Low82 Ų8270 Ų7038%0.38335%0.348SS..  trans-81.7133.1166-72.4-159.41.300110P211 N215 I222P211-Q213 PolarHBondContact O-N 2.93Å; Q213-N215 VanDerWaalsContact C-N 3.3Å; Q213-I222 VanDerWaalsContact NE2-CD1 3.32Å
214R52Low65.7Low252 Ų25265.4 Ų65.495%0.95133%0.326SS*.SBendtrans-72.3-23.7175.6-90.7-172.9176.2-170.6-0.7113.5
215N54.3Low64.7Low115 Ų11574.5 Ų74.562%0.61537%0.369SS*.SBendtrans-125.176.1-176.1-70.3-10.9000108.2Q213 F217Q213-N215 VanDerWaalsContact C-N 3.3Å; N215-F217 HydrophobicContact CB-CD2 4.27Å; N215-F217 HydrophobicContact CB-CE2 3.67Å; N215-F217 HydrophobicContact CB-CZ 4.34Å; N215-F217 VanDerWaalsContact O-CD2 3.23Å; N215-F217 WeakPolarHBondContact O-CD2 3.02Å
216S57.6Low64Low51 Ų5171 Ų7136%0.35738%0.38SS..  trans-65.4130.4175.3160.50000110.2D224 E227S216-D224 WeakPolarHBondContact CA-OD2 3.13Å; S216-D224 VanDerWaalsContact CB-CB 3.42Å; S216-D224 VanDerWaalsContact CB-CG 3.45Å; S216-D224 VanDerWaalsContact CB-OD2 3.26Å; S216-D224 WeakPolarHBondContact CB-OD2 3.28Å; S216-D224 WeakPolarHBondContact OG-CB 3.39Å; S216-D224 VanDerWaalsContact OG-CG 3.3Å; S216-D224 PolarHBondContact OG-OD2 2.89Å; S216-E227 PolarHBondContact OG-OE1 3.19Å
217F61.6Low63.4Low138 Ų13872 Ų7261%0.60538%0.383SS*.  trans-146.6105.4174.8-62.4-73000109.2N215 G219 N220 D224N215-F217 HydrophobicContact CB-CD2 4.27Å; N215-F217 HydrophobicContact CB-CE2 3.67Å; N215-F217 HydrophobicContact CB-CZ 4.34Å; N215-F217 VanDerWaalsContact O-CD2 3.23Å; N215-F217 WeakPolarHBondContact O-CD2 3.02Å; F217-G219 PolarHBondContact O-N 3.4Å; F217-N220 PolarHBondContact O-ND2 2.88Å; F217-D224 PolarHBondContact N-OD2 2.83Å
218C63.2Low62.5Low15 Ų1577.5 Ų77.510%0.10141%0.409CS..SBendtrans-47.2139.3166.41680000112.2E227 C266C218-E227 WeakPolarHBondContact CA-OE1 3.11Å; C218-E227 VanDerWaalsContact CB-OE1 3.23Å; C218-E227 WeakPolarHBondContact CB-OE1 3.22Å; C218-E227 PolarHBondContact N-OE1 2.88Å; C218-C266 HydrophobicContact CB-CB 4.2Å; C218-C266 WeakPolarHBondContact CB-SG 3.49Å; C218-C266 WeakPolarHBondContact SG-CA 3.37Å; C218-C266 WeakPolarHBondContact SG-CB 3.3Å; C218-C266 PolarHBondContact SG-N 3.38Å; C218-C266 CovalentContact SG-SG 2.03Å; C218-C266 PolarHBondContact SG-SG 3.04Å
219G59.9Low62.1Low15 Ų1573.7 Ų73.716%0.15539%0.393CS..SBendtrans10215.2-178.400000113.2F217 D230 G232 T233F217-G219 PolarHBondContact O-N 3.4Å; G219-D230 VanDerWaalsContact C-OD1 3.3Å; G219-D230 WeakPolarHBondContact CA-OD1 3.41Å; G219-D230 VanDerWaalsContact N-CG 3.35Å; G219-D230 PolarHBondContact N-OD1 3.23Å; G219-D230 PolarHBondContact N-OD2 3.41Å; G219-G232 VanDerWaalsContact C-C 3.43Å; G219-G232 VanDerWaalsContact C-CA 3.46Å; G219-G232 CarbonylContact C-O 3.55Å; G219-G232 WeakPolarHBondContact CA-O 3.07Å; G219-G232 CarbonylContact O-C 3.5Å; G219-G232 WeakPolarHBondContact O-CA 3.29Å; G219-T233 PolarHBondContact O-N 3.09Å
220N65.3Low62Low52 Ų5271 Ų7128%0.27838%0.379SS..SBendtrans-110.9-5.3179.480.747.5000113.2F217 I222 D230F217-N220 PolarHBondContact O-ND2 2.88Å; N220-I222 WeakPolarHBondContact OD1-CA 3.5Å; N220-I222 WeakPolarHBondContact OD1-CB 3.44Å; N220-I222 WeakPolarHBondContact OD1-CD1 3.13Å; N220-I222 WeakPolarHBondContact OD1-CG1 3.3Å; N220-I222 PolarHBondContact OD1-N 3.07Å; N220-D230 WeakPolarHBondContact CA-OD2 3.32Å; N220-D230 PolarHBondContact N-OD1 3.14Å; N220-D230 PolarHBondContact N-OD2 3.06Å; N220-D230 PolarHBondContact OD1-OD2 2.72Å; N220-D230 VanDerWaalsContact OD1-OD2 3.07Å
221G62.3Low61.8Low24 Ų2469.3 Ų69.325%0.24737%0.372CS..SBendtrans80.319.2-177.700000114.7R51 D230R51-G221 PolarHBondContact NH1-O 3.12Å; G221-D230 PolarHBondContact N-OD1 3.24Å; G221-D230 PolarHBondContact N-OD2 3.5Å
222I64.4Low61.6Low20 Ų2069.7 Ų69.710%0.10338%0.378CS..  trans-125.2118.3177.6-55.4169.1000107.9Y8 M210 Q213 N220 D224 D230Y8-I222 HydrophobicContact CE1-CG2 4.03Å; M210-I222 HydrophobicContact CE-CG2 4.4Å; M210-I222 HydrophobicContact CG-CG2 4.35Å; M210-I222 HydrophobicContact SD-CG2 3.66Å; Q213-I222 VanDerWaalsContact NE2-CD1 3.32Å; N220-I222 WeakPolarHBondContact OD1-CA 3.5Å; N220-I222 WeakPolarHBondContact OD1-CB 3.44Å; N220-I222 WeakPolarHBondContact OD1-CD1 3.13Å; N220-I222 WeakPolarHBondContact OD1-CG1 3.3Å; N220-I222 PolarHBondContact OD1-N 3.07Å; I222-D224 PolarHBondContact O-N 3.21Å; I222-D230 VanDerWaalsContact C-CB 3.49Å; I222-D230 PolarHBondContact N-OD2 3.2Å; I222-D230 VanDerWaalsContact O-CB 3.27Å; I222-D230 WeakPolarHBondContact O-CB 3.39Å
223I64.5Low61.7Low66 Ų6666.8 Ų66.834%0.33836%0.36SS..  trans-74.982.9-175.2-52.1177.8000110.8M210 E227 D230M210-I223 HydrophobicContact CE-CB 3.76Å; M210-I223 WeakPolarHBondContact CE-O 3.39Å; M210-I223 VanDerWaalsContact SD-C 3.52Å; I223-E227 HydrophobicContact CG2-CB 4.13Å; I223-E227 WeakPolarHBondContact CG2-O 3.28Å; I223-D230 HydrophobicContact CG1-CB 4.38Å
224D66Low61.8Low7 Ų766.3 Ų66.34%0.03736%0.363CS..  trans-66.4171.9-175-68.8-52.3000114.1S216 F217 I222 G226 E227S216-D224 WeakPolarHBondContact CA-OD2 3.13Å; S216-D224 VanDerWaalsContact CB-CB 3.42Å; S216-D224 VanDerWaalsContact CB-CG 3.45Å; S216-D224 VanDerWaalsContact CB-OD2 3.26Å; S216-D224 WeakPolarHBondContact CB-OD2 3.28Å; S216-D224 WeakPolarHBondContact OG-CB 3.39Å; S216-D224 VanDerWaalsContact OG-CG 3.3Å; S216-D224 PolarHBondContact OG-OD2 2.89Å; F217-D224 PolarHBondContact N-OD2 2.83Å; I222-D224 PolarHBondContact O-N 3.21Å; D224-G226 PolarHBondContact O-N 2.96Å; D224-G226 VanDerWaalsContact O-N 3.14Å; D224-E227 HydrophobicContact CB-CG 4.18Å; D224-E227 PolarHBondContact N-OE2 3.3Å; D224-E227 WeakPolarHBondContact O-CB 3.44Å; D224-E227 PolarHBondContact O-N 2.8Å
225E63.8Low61.9Low193 Ų19361.6 Ų61.690%0.90235%0.352SS*.THydrogen-bonded Turntrans-59.4118.4177.8-169-180-175.500111.8
226G64.9Low61.6Low81 Ų8164.6 Ų64.684%0.83536%0.356SS*.THydrogen-bonded Turntrans95.4-6.5-176.300000114.1D224D224-G226 PolarHBondContact O-N 2.96Å; D224-G226 VanDerWaalsContact O-N 3.14Å
227E68.5Low61.2Low38 Ų3865.4 Ų65.418%0.17835%0.353CS..  trans-93.2137.2171.5-54.6-173.2168.300109.9S216 C218 I223 D224S216-E227 PolarHBondContact OG-OE1 3.19Å; C218-E227 WeakPolarHBondContact CA-OE1 3.11Å; C218-E227 VanDerWaalsContact CB-OE1 3.23Å; C218-E227 WeakPolarHBondContact CB-OE1 3.22Å; C218-E227 PolarHBondContact N-OE1 2.88Å; I223-E227 HydrophobicContact CG2-CB 4.13Å; I223-E227 WeakPolarHBondContact CG2-O 3.28Å; D224-E227 HydrophobicContact CB-CG 4.18Å; D224-E227 PolarHBondContact N-OE2 3.3Å; D224-E227 WeakPolarHBondContact O-CB 3.44Å; D224-E227 PolarHBondContact O-N 2.8Å
228E65.9Low60.6Low115 Ų11564.9 Ų64.954%0.53736%0.355SS..SBendtrans-93-27.6173-68.2-166.6-15700112.5D269E228-D269 VanDerWaalsContact CD-CB 3.48Å; E228-D269 WeakPolarHBondContact OE2-CB 3.38Å; E228-D269 VanDerWaalsContact OE2-CG 3.25Å
229C67.7Low60.2Low8 Ų865.5 Ų65.55%0.05436%0.359CS..  trans-146.5153.2168.967.80000109.5C243 C266C229-C243 HydrophobicContact CB-CB 4.36Å; C229-C243 WeakPolarHBondContact CB-SG 3.43Å; C229-C243 WeakPolarHBondContact SG-CB 3.3Å; C229-C243 CovalentContact SG-SG 2.08Å; C229-C243 PolarHBondContact SG-SG 3.09Å; C229-C266 VanDerWaalsContact O-CB 3.26Å; C229-C266 WeakPolarHBondContact O-CB 3.48Å; C229-C266 PolarHBondContact O-SG 2.73Å
230D64.8Low60.2Low10 Ų1072.4 Ų72.45%0.05338%0.381CS..  trans-119.3121.6169.8-175.7-19.9000110.3G219 N220 G221 I222 I223 G232G219-D230 VanDerWaalsContact C-OD1 3.3Å; G219-D230 WeakPolarHBondContact CA-OD1 3.41Å; G219-D230 VanDerWaalsContact N-CG 3.35Å; G219-D230 PolarHBondContact N-OD1 3.23Å; G219-D230 PolarHBondContact N-OD2 3.41Å; N220-D230 WeakPolarHBondContact CA-OD2 3.32Å; N220-D230 PolarHBondContact N-OD1 3.14Å; N220-D230 PolarHBondContact N-OD2 3.06Å; N220-D230 PolarHBondContact OD1-OD2 2.72Å; N220-D230 VanDerWaalsContact OD1-OD2 3.07Å; G221-D230 PolarHBondContact N-OD1 3.24Å; G221-D230 PolarHBondContact N-OD2 3.5Å; I222-D230 VanDerWaalsContact C-CB 3.49Å; I222-D230 PolarHBondContact N-OD2 3.2Å; I222-D230 VanDerWaalsContact O-CB 3.27Å; I222-D230 WeakPolarHBondContact O-CB 3.39Å; I223-D230 HydrophobicContact CG1-CB 4.38Å; D230-G232 PolarHBondContact O-N 3.49Å; D230-G232 PolarHBondContact OD1-N 3.3Å
231C61.4Low60.2Low24 Ų2472.9 Ų72.916%0.16239%0.386CS..  trans-75.9-15.8-172.1-58.90000116.3K237 C243 Y257 P267C231-K237 WeakPolarHBondContact O-CE 3.38Å; C231-K237 PolarHBondContact O-NZ 2.56Å; C231-C243 PolarHBondContact SG-SG 3.06Å; C231-Y257 HydrophobicContact CB-CD1 3.6Å; C231-Y257 HydrophobicContact CB-CE1 3.75Å; C231-Y257 WeakPolarHBondContact SG-CD1 3.35Å; C231-P267 WeakPolarHBondContact SG-CD 3.48Å
232G58.6Low60.5Low19 Ų1974.7 Ų74.720%0.19639%0.392CS..  trans69.5-175.5-169.300000112.8G219 D230G219-G232 VanDerWaalsContact C-C 3.43Å; G219-G232 VanDerWaalsContact C-CA 3.46Å; G219-G232 CarbonylContact C-O 3.55Å; G219-G232 WeakPolarHBondContact CA-O 3.07Å; G219-G232 CarbonylContact O-C 3.5Å; G219-G232 WeakPolarHBondContact O-CA 3.29Å; D230-G232 PolarHBondContact O-N 3.49Å; D230-G232 PolarHBondContact OD1-N 3.3Å
233T57.4Low60.9Low77 Ų7774.4 Ų74.447%0.47239%0.391SS..  trans-75.7156.118069.40000111.4G219 E235 Y236G219-T233 PolarHBondContact O-N 3.09Å; T233-E235 WeakPolarHBondContact CB-OE2 3.08Å; T233-E235 PolarHBondContact O-N 2.62Å; T233-E235 VanDerWaalsContact O-N 3.09Å; T233-E235 PolarHBondContact OG1-OE2 3.41Å; T233-Y236 PolarHBondContact O-N 3.38Å; T233-Y236 VanDerWaalsContact O-N 3.14Å
234V54.2Low61.6Low73 Ų7372.7 Ų72.744%0.44238%0.381SS..G310 helixtrans-56.6-26.9-178.6-1770000111.8Y236 T259V234-Y236 VanDerWaalsContact C-N 3.28Å; V234-Y236 PolarHBondContact O-N 2.57Å; V234-T259 HydrophobicContact CG1-CG2 3.53Å
235E53.6Low62.4Low153 Ų15376.9 Ų76.972%0.71541%0.408SS*.G310 helixtrans-67.3-21.3-179.5-64.792.4-164.200114.4T233T233-E235 WeakPolarHBondContact CB-OE2 3.08Å; T233-E235 PolarHBondContact O-N 2.62Å; T233-E235 VanDerWaalsContact O-N 3.09Å; T233-E235 PolarHBondContact OG1-OE2 3.41Å
236Y48.2Very low63.5Low178 Ų17869.6 Ų69.670%0.69838%0.378SS*.G310 helixtrans-105.85.5-163.1-138.7-94.4000116.8T233 V234T233-Y236 PolarHBondContact O-N 3.38Å; T233-Y236 VanDerWaalsContact O-N 3.14Å; V234-Y236 VanDerWaalsContact C-N 3.28Å; V234-Y236 PolarHBondContact O-N 2.57Å
237K48.7Very low64.6Low68 Ų6869.6 Ų69.630%0.29636%0.362SS..  trans-136.5127-178.7-68.1-173.2179.6152.80114.4C231 S239 Y257C231-K237 WeakPolarHBondContact O-CE 3.38Å; C231-K237 PolarHBondContact O-NZ 2.56Å; K237-S239 PolarHBondContact O-N 3.41Å; K237-Y257 HydrophobicContact CD-CD1 3.8Å; K237-Y257 HydrophobicContact CD-CD2 3.53Å; K237-Y257 HydrophobicContact CD-CE1 3.72Å; K237-Y257 HydrophobicContact CD-CE2 3.42Å; K237-Y257 VanDerWaalsContact CD-CE2 3.42Å; K237-Y257 HydrophobicContact CD-CG 3.7Å; K237-Y257 PolarHBondContact NZ-OH 3.16Å
238I49.3Very low65.7Low126 Ų12669.2 Ų69.265%0.64636%0.361SS*.  trans-61131.3165.8-53.8171.9000107.4R240 T241I238-R240 PolarHBondContact O-N 3.08Å; I238-T241 PolarHBondContact O-N 3.14Å; I238-T241 PolarHBondContact O-OG1 3.42Å
239S55.2Low66.9Low29 Ų2969.5 Ų69.520%0.20337%0.373CS..THydrogen-bonded Turntrans-42.6139.5170.3-176.30000110.4K237K237-S239 PolarHBondContact O-N 3.41Å
240R58.7Low68.1Low160 Ų16073 Ų7360%0.60439%0.389SS*.THydrogen-bonded Turntrans73.613.2-177.8-45.6175.1178.1-137.71117I238 F256I238-R240 PolarHBondContact O-N 3.08Å; R240-F256 WeakPolarHBondContact O-CD1 3.46Å
241T65.3Low69.5Low62 Ų6272.5 Ų72.538%0.3839%0.386SS..  trans-67.1146.8163.9-490000108.9I238 F256 Y257I238-T241 PolarHBondContact O-N 3.14Å; I238-T241 PolarHBondContact O-OG1 3.42Å; T241-F256 VanDerWaalsContact O-CA 3.3Å; T241-F256 WeakPolarHBondContact O-CA 3.03Å; T241-Y257 VanDerWaalsContact CB-CD2 3.45Å; T241-Y257 HydrophobicContact CG2-CD2 4.01Å; T241-Y257 HydrophobicContact CG2-CE2 3.69Å; T241-Y257 WeakPolarHBondContact O-CD2 3.25Å; T241-Y257 PolarHBondContact O-N 2.83Å
242V70Confident71.1Confident61 Ų6171.8 Ų71.837%0.3738%0.381SS..EExtended strand (participates in β ladder)trans-79.5123.8-178.7174.70000110.3R244 P245 V254 F256 Y257V242-R244 WeakPolarHBondContact CG1-O 3.41Å; V242-P245 HydrophobicContact CG1-CG 4.32Å; V242-V254 HydrophobicContact CB-CG2 4.45Å; V242-V254 HydrophobicContact CG1-CG2 3.69Å; V242-V254 HydrophobicContact CG2-CG2 4.03Å; V242-F256 HydrophobicContact CG2-CD1 4.04Å; V242-F256 HydrophobicContact CG2-CE1 3.78Å; V242-Y257 WeakPolarHBondContact O-CE2 3.27Å; V242-Y257 PolarHBondContact O-OH 3.4Å
243C71.7Confident72.6Confident15 Ų1573 Ų7310%0.10138%0.381CS..EExtended strand (participates in β ladder)trans-75.3-54.4171.7-159.30000111C229 C231 E255 Y257 P267C229-C243 HydrophobicContact CB-CB 4.36Å; C229-C243 WeakPolarHBondContact CB-SG 3.43Å; C229-C243 WeakPolarHBondContact SG-CB 3.3Å; C229-C243 CovalentContact SG-SG 2.08Å; C229-C243 PolarHBondContact SG-SG 3.09Å; C231-C243 PolarHBondContact SG-SG 3.06Å; C243-E255 HydrophobicContact CB-CB 4.32Å; C243-E255 PolarHBondContact N-O 3.28Å; C243-Y257 WeakPolarHBondContact CA-OH 3.45Å; C243-Y257 HydrophobicContact CB-CD1 4.08Å; C243-Y257 HydrophobicContact CB-CE1 3.68Å; C243-Y257 HydrophobicContact CB-CE2 4.43Å; C243-Y257 WeakPolarHBondContact SG-CE1 3.26Å; C243-P267 HydrophobicContact CB-CG 3.95Å
244R80.8Confident73.9Confident30 Ų3072 Ų7211%0.11338%0.375CS..EExtended strand (participates in β ladder)trans-133.2123.1-178.9-173.7-168.56891.27.4108V242 D252 F253 E255 D269V242-R244 WeakPolarHBondContact CG1-O 3.41Å; R244-D252 IonicContact CZ-OD1 2.98Å; R244-D252 IonicContact CZ-OD2 2.86Å; R244-D252 IonicContact NH1-OD1 2.62Å; R244-D252 PolarHBondContact NH1-OD1 3.16Å; R244-D252 IonicContact NH1-OD2 3.09Å; R244-D252 PolarHBondContact NH1-OD2 3.07Å; R244-D252 VanDerWaalsContact NH2-CG 3.29Å; R244-D252 IonicContact NH2-OD1 3.31Å; R244-D252 PolarHBondContact NH2-OD1 3.38Å; R244-D252 IonicContact NH2-OD2 2.96Å; R244-D252 PolarHBondContact NH2-OD2 3.29Å; R244-F253 PolarHBondContact NH2-O 3.33Å; R244-E255 WeakPolarHBondContact CB-OE2 3.12Å; R244-E255 IonicContact CZ-OE1 3.12Å; R244-E255 IonicContact CZ-OE2 2.73Å; R244-E255 PolarHBondContact N-O 3.19Å; R244-E255 IonicContact NE-OE1 4Å; R244-E255 IonicContact NE-OE2 3.36Å; R244-E255 PolarHBondContact NE-OE2 2.97Å; R244-E255 VanDerWaalsContact NH2-CD 3.26Å; R244-E255 IonicContact NH2-OE1 3.84Å; R244-E255 PolarHBondContact NH2-OE1 3.42Å; R244-E255 IonicContact NH2-OE2 3.64Å; R244-E255 PolarHBondContact NH2-OE2 3.03Å; R244-D269 IonicContact CZ-OD1 3.74Å; R244-D269 IonicContact NE-OD1 2.92Å; R244-D269 PolarHBondContact NE-OD1 3.41Å; R244-D269 IonicContact NH1-OD1 3.32Å; R244-D269 PolarHBondContact NH1-OD1 3.04Å; R244-D269 IonicContact NH2-OD1 3.17Å; R244-D269 PolarHBondContact NH2-OD1 2.92Å
245P81.1Confident75Confident95 Ų9569.1 Ų69.162%0.61736%0.356SS*.  trans-65.5144.2173-19.432.1000111V242 V247V242-P245 HydrophobicContact CG1-CG 4.32Å; P245-V247 PolarHBondContact O-N 3.15Å
246S87.7Confident75.8Confident39 Ų3965.6 Ų65.627%0.27334%0.338SS..  trans-62.7129.1172.1171.20000110.8D248 D252S246-D248 PolarHBondContact OG-N 2.87Å; S246-D248 PolarHBondContact OG-O 3.21Å; S246-D248 VanDerWaalsContact OG-O 3.06Å; S246-D252 WeakPolarHBondContact CB-O 3.02Å; S246-D252 PolarHBondContact OG-O 3.21Å
247V87.2Confident76.5Confident82 Ų8258.7 Ų58.750%0.49731%0.311SS..SBendtrans-75-32.7174.9176.30000111.3P245 D252 R290P245-V247 PolarHBondContact O-N 3.15Å; V247-D252 WeakPolarHBondContact CB-OD2 3.25Å; V247-D252 WeakPolarHBondContact CG2-OD2 3.46Å; V247-D252 PolarHBondContact N-OD2 3.25Å; V247-R290 HydrophobicContact CG1-CG 4.2Å
248D91.4Very high76.8Confident30 Ų3062.3 Ų62.316%0.1633%0.328CS..SBendtrans-143.9112177.9-171.8-53000109.4S246 E250 C251 D252 G289 R290 C291S246-D248 PolarHBondContact OG-N 2.87Å; S246-D248 PolarHBondContact OG-O 3.21Å; S246-D248 VanDerWaalsContact OG-O 3.06Å; D248-E250 PolarHBondContact O-N 2.98Å; D248-E250 WeakPolarHBondContact OD1-CB 3.47Å; D248-E250 PolarHBondContact OD1-N 2.95Å; D248-C251 HydrophobicContact CB-CB 4.36Å; D248-C251 PolarHBondContact O-N 3.11Å; D248-C251 PolarHBondContact OD1-N 3.5Å; D248-D252 HydrophobicContact CB-CB 4.45Å; D248-D252 WeakPolarHBondContact O-CA 3.42Å; D248-D252 VanDerWaalsContact O-CB 3.31Å; D248-D252 WeakPolarHBondContact O-CB 3.23Å; D248-D252 PolarHBondContact O-N 3.37Å; D248-G289 WeakPolarHBondContact CB-O 3.18Å; D248-R290 HydrophobicContact CB-CG 4.5Å; D248-C291 WeakPolarHBondContact OD2-CB 3.48Å; D248-C291 PolarHBondContact OD2-N 3.21Å
249P92.2Very high76.6Confident121 Ų12159 Ų5979%0.78631%0.313SS*.THydrogen-bonded Turntrans-59.4-20.6-175.4-25.334000114.8
250E93.3Very high76.3Confident81 Ų8164.8 Ų64.838%0.37933%0.332SS..THydrogen-bonded Turntrans-88.8-25.1179.7-64.4-168-131.200113D248 K272 C278 G279D248-E250 PolarHBondContact O-N 2.98Å; D248-E250 WeakPolarHBondContact OD1-CB 3.47Å; D248-E250 PolarHBondContact OD1-N 2.95Å; E250-K272 WeakPolarHBondContact O-CD 3.1Å; E250-K272 WeakPolarHBondContact O-CE 3.18Å; E250-K272 PolarHBondContact O-NZ 2.96Å; E250-C278 HydrophobicContact CB-CB 4.33Å; E250-G279 WeakPolarHBondContact OE2-CA 3.44Å; E250-G279 PolarHBondContact OE2-N 2.92Å
251C94Very high75.8Confident0 Ų061.9 Ų61.90%033%0.334CS..THydrogen-bonded Turntrans-124.1-15.3-170.2-71.70000114.4D248 Y271 K272 C286 C291D248-C251 HydrophobicContact CB-CB 4.36Å; D248-C251 PolarHBondContact O-N 3.11Å; D248-C251 PolarHBondContact OD1-N 3.5Å; C251-Y271 WeakPolarHBondContact O-CB 3.25Å; C251-K272 WeakPolarHBondContact O-CB 3.48Å; C251-K272 PolarHBondContact O-N 2.89Å; C251-C286 WeakPolarHBondContact CA-SG 3.29Å; C251-C286 HydrophobicContact CB-CB 3.68Å; C251-C286 WeakPolarHBondContact CB-SG 3.1Å; C251-C286 WeakPolarHBondContact SG-CA 3.16Å; C251-C286 WeakPolarHBondContact SG-CB 3.21Å; C251-C286 CovalentContact SG-SG 2.04Å; C251-C286 PolarHBondContact SG-SG 2.89Å; C251-C291 VanDerWaalsContact SG-CA 3.56Å; C251-C291 PolarHBondContact SG-N 3.41Å
252D93.8Very high75Confident9 Ų966.5 Ų66.55%0.04836%0.356CS..BIsolated β-bridgetrans-122125.8-173.1-167.821.7000110.4R244 S246 V247 D248 G289R244-D252 IonicContact CZ-OD1 2.98Å; R244-D252 IonicContact CZ-OD2 2.86Å; R244-D252 IonicContact NH1-OD1 2.62Å; R244-D252 PolarHBondContact NH1-OD1 3.16Å; R244-D252 IonicContact NH1-OD2 3.09Å; R244-D252 PolarHBondContact NH1-OD2 3.07Å; R244-D252 VanDerWaalsContact NH2-CG 3.29Å; R244-D252 IonicContact NH2-OD1 3.31Å; R244-D252 PolarHBondContact NH2-OD1 3.38Å; R244-D252 IonicContact NH2-OD2 2.96Å; R244-D252 PolarHBondContact NH2-OD2 3.29Å; S246-D252 WeakPolarHBondContact CB-O 3.02Å; S246-D252 PolarHBondContact OG-O 3.21Å; V247-D252 WeakPolarHBondContact CB-OD2 3.25Å; V247-D252 WeakPolarHBondContact CG2-OD2 3.46Å; V247-D252 PolarHBondContact N-OD2 3.25Å; D248-D252 HydrophobicContact CB-CB 4.45Å; D248-D252 WeakPolarHBondContact O-CA 3.42Å; D248-D252 VanDerWaalsContact O-CB 3.31Å; D248-D252 WeakPolarHBondContact O-CB 3.23Å; D248-D252 PolarHBondContact O-N 3.37Å; D252-G289 WeakPolarHBondContact CB-O 2.86Å
253F90.3Very high74Confident44 Ų4465.9 Ų65.919%0.19336%0.357CS..PPolyproline II helixtrans-78.5148.3179.4-62.3-79.4000109.4R244 L270 K272 V375 T377 V383R244-F253 PolarHBondContact NH2-O 3.33Å; F253-L270 HydrophobicContact CB-CB 4.47Å; F253-L270 VanDerWaalsContact CB-O 3.26Å; F253-L270 WeakPolarHBondContact CB-O 3.39Å; F253-L270 HydrophobicContact CD2-CB 4.18Å; F253-L270 VanDerWaalsContact CD2-O 3.3Å; F253-L270 WeakPolarHBondContact CD2-O 3.38Å; F253-L270 PolarHBondContact N-O 2.78Å; F253-L270 VanDerWaalsContact N-O 3.07Å; F253-K272 HydrophobicContact CE2-CB 4.45Å; F253-K272 HydrophobicContact CE2-CG 3.73Å; F253-K272 HydrophobicContact CZ-CG 3.68Å; F253-V375 HydrophobicContact CZ-CB 3.94Å; F253-V375 HydrophobicContact CZ-CG1 3.83Å; F253-T377 HydrophobicContact CD2-CG2 4.22Å; F253-T377 HydrophobicContact CE2-CG2 3.79Å; F253-V383 HydrophobicContact CD1-CG1 4.44Å; F253-V383 HydrophobicContact CE1-CB 4.24Å; F253-V383 HydrophobicContact CE1-CG1 4.14Å; F253-V383 HydrophobicContact CE1-CG2 4.38Å; F253-V383 HydrophobicContact CE2-CG2 4.35Å; F253-V383 HydrophobicContact CZ-CB 4.26Å; F253-V383 HydrophobicContact CZ-CG2 4.24Å
254V85.2Confident73.2Confident57 Ų5773.1 Ų73.135%0.34539%0.387SS..PPolyproline II helixtrans-86.7123.8169.751.10000108.2V242 F256V242-V254 HydrophobicContact CB-CG2 4.45Å; V242-V254 HydrophobicContact CG1-CG2 3.69Å; V242-V254 HydrophobicContact CG2-CG2 4.03Å; V254-F256 HydrophobicContact CB-CE2 4.41Å; V254-F256 HydrophobicContact CB-CZ 4.4Å; V254-F256 HydrophobicContact CG1-CE2 3.55Å; V254-F256 HydrophobicContact CG1-CZ 3.57Å; V254-F256 HydrophobicContact CG2-CE1 4.21Å; V254-F256 HydrophobicContact CG2-CE2 4.25Å; V254-F256 HydrophobicContact CG2-CZ 3.97Å
255E77.9Confident72.3Confident12 Ų1277 Ų776%0.05641%0.414CS..EExtended strand (participates in β ladder)trans-87.3131.5174-62.875.2-163.600109.9C243 R244 P267 L270C243-E255 HydrophobicContact CB-CB 4.32Å; C243-E255 PolarHBondContact N-O 3.28Å; R244-E255 WeakPolarHBondContact CB-OE2 3.12Å; R244-E255 IonicContact CZ-OE1 3.12Å; R244-E255 IonicContact CZ-OE2 2.73Å; R244-E255 PolarHBondContact N-O 3.19Å; R244-E255 IonicContact NE-OE1 4Å; R244-E255 IonicContact NE-OE2 3.36Å; R244-E255 PolarHBondContact NE-OE2 2.97Å; R244-E255 VanDerWaalsContact NH2-CD 3.26Å; R244-E255 IonicContact NH2-OE1 3.84Å; R244-E255 PolarHBondContact NH2-OE1 3.42Å; R244-E255 IonicContact NH2-OE2 3.64Å; R244-E255 PolarHBondContact NH2-OE2 3.03Å; E255-P267 HydrophobicContact CB-CB 4.12Å; E255-P267 HydrophobicContact CB-CG 3.98Å; E255-P267 HydrophobicContact CG-CB 4.2Å; E255-P267 HydrophobicContact CG-CG 4.48Å; E255-L270 PolarHBondContact OE1-N 2.93Å
256F70.1Confident71.6Confident78 Ų7873.5 Ų73.534%0.34239%0.391SS..EExtended strand (participates in β ladder)trans-105.1156.3174.1-60-84.3000110.1R240 T241 V242 V254 F258R240-F256 WeakPolarHBondContact O-CD1 3.46Å; T241-F256 VanDerWaalsContact O-CA 3.3Å; T241-F256 WeakPolarHBondContact O-CA 3.03Å; V242-F256 HydrophobicContact CG2-CD1 4.04Å; V242-F256 HydrophobicContact CG2-CE1 3.78Å; V254-F256 HydrophobicContact CB-CE2 4.41Å; V254-F256 HydrophobicContact CB-CZ 4.4Å; V254-F256 HydrophobicContact CG1-CE2 3.55Å; V254-F256 HydrophobicContact CG1-CZ 3.57Å; V254-F256 HydrophobicContact CG2-CE1 4.21Å; V254-F256 HydrophobicContact CG2-CE2 4.25Å; V254-F256 HydrophobicContact CG2-CZ 3.97Å; F256-F258 WeakPolarHBondContact O-CD2 3.11Å; F256-F258 PolarHBondContact O-N 3.42Å
257Y63.7Low70.8Confident33 Ų3373.5 Ų73.513%0.12939%0.39CS..  trans-67.8123.7169.1-55.8-76.6000109.7C231 K237 T241 V242 C243C231-Y257 HydrophobicContact CB-CD1 3.6Å; C231-Y257 HydrophobicContact CB-CE1 3.75Å; C231-Y257 WeakPolarHBondContact SG-CD1 3.35Å; K237-Y257 HydrophobicContact CD-CD1 3.8Å; K237-Y257 HydrophobicContact CD-CD2 3.53Å; K237-Y257 HydrophobicContact CD-CE1 3.72Å; K237-Y257 HydrophobicContact CD-CE2 3.42Å; K237-Y257 VanDerWaalsContact CD-CE2 3.42Å; K237-Y257 HydrophobicContact CD-CG 3.7Å; K237-Y257 PolarHBondContact NZ-OH 3.16Å; T241-Y257 VanDerWaalsContact CB-CD2 3.45Å; T241-Y257 HydrophobicContact CG2-CD2 4.01Å; T241-Y257 HydrophobicContact CG2-CE2 3.69Å; T241-Y257 WeakPolarHBondContact O-CD2 3.25Å; T241-Y257 PolarHBondContact O-N 2.83Å; V242-Y257 WeakPolarHBondContact O-CE2 3.27Å; V242-Y257 PolarHBondContact O-OH 3.4Å; C243-Y257 WeakPolarHBondContact CA-OH 3.45Å; C243-Y257 HydrophobicContact CB-CD1 4.08Å; C243-Y257 HydrophobicContact CB-CE1 3.68Å; C243-Y257 HydrophobicContact CB-CE2 4.43Å; C243-Y257 WeakPolarHBondContact SG-CE1 3.26Å
258F54.5Low70.2Confident145 Ų14572.2 Ų72.264%0.63639%0.388SS*.  trans-98.5126.5165.7-64.9-79.5000108.4F256 Y260F256-F258 WeakPolarHBondContact O-CD2 3.11Å; F256-F258 PolarHBondContact O-N 3.42Å; F258-Y260 HydrophobicContact CB-CD2 3.67Å; F258-Y260 HydrophobicContact CB-CE2 3.65Å; F258-Y260 HydrophobicContact CG-CE2 4.23Å; F258-Y260 PolarHBondContact O-N 3.04Å
259T45.1Very low69.6Low56 Ų5672.1 Ų72.134%0.34439%0.388SS..  trans-71.782.5169.7-26.10000108V234V234-T259 HydrophobicContact CG1-CG2 3.53Å
260Y47.5Very low69.2Low151 Ų15168.3 Ų68.359%0.59236%0.361SS*.  trans-89.7118.7162.9-80.8-78.6000107.3F258 D262 A263F258-Y260 HydrophobicContact CB-CD2 3.67Å; F258-Y260 HydrophobicContact CB-CE2 3.65Å; F258-Y260 HydrophobicContact CG-CE2 4.23Å; F258-Y260 PolarHBondContact O-N 3.04Å; Y260-D262 PolarHBondContact O-N 2.82Å; Y260-A263 HydrophobicContact CG-CB 4.24Å; Y260-A263 PolarHBondContact O-N 2.97Å
261P48.5Very low69Low99 Ų9966.2 Ų66.264%0.64335%0.35SS*.THydrogen-bonded Turntrans-52.8-29.5-177.8-26.533000113.7
262D48.2Very low68.8Low158 Ų15868.7 Ų68.785%0.84536%0.36SS*.THydrogen-bonded Turntrans-118-3.7-170.5-59.2-42.1000114.6Y260 K264Y260-D262 PolarHBondContact O-N 2.82Å; D262-K264 PolarHBondContact O-N 3.22Å
263A50.5Low68.4Low48 Ų4870.5 Ų70.540%0.39737%0.366SS..  trans-94.294.6-172.800000111.5Y260 V265Y260-A263 HydrophobicContact CG-CB 4.24Å; Y260-A263 PolarHBondContact O-N 2.97Å; A263-V265 PolarHBondContact O-N 3Å
264K55Low68.1Low167 Ų16771 Ų7173%0.72637%0.371SS*.  trans-72.849.2158.2-63.8-175.6-179.4-174.80110.8D262D262-K264 PolarHBondContact O-N 3.22Å
265V61.8Low67.8Low112 Ų11270.6 Ų70.668%0.67938%0.379SS*.  trans-137.4125.3-174.6-1740000108.5A263A263-V265 PolarHBondContact O-N 3Å
266C66.4Low68.2Low22 Ų2272 Ų7215%0.14939%0.388CS..PPolyproline II helixtrans-77142.8-175.3-69.80000107.3C218 C229 A268C218-C266 HydrophobicContact CB-CB 4.2Å; C218-C266 WeakPolarHBondContact CB-SG 3.49Å; C218-C266 WeakPolarHBondContact SG-CA 3.37Å; C218-C266 WeakPolarHBondContact SG-CB 3.3Å; C218-C266 PolarHBondContact SG-N 3.38Å; C218-C266 CovalentContact SG-SG 2.03Å; C218-C266 PolarHBondContact SG-SG 3.04Å; C229-C266 VanDerWaalsContact O-CB 3.26Å; C229-C266 WeakPolarHBondContact O-CB 3.48Å; C229-C266 PolarHBondContact O-SG 2.73Å; C266-A268 PolarHBondContact O-N 2.83Å
267P70.6Confident69.2Low38 Ų3871.3 Ų71.325%0.24740%0.397CS..PPolyproline II helixtrans-58.1135177.326.6-32.8000108C231 C243 E255C231-P267 WeakPolarHBondContact SG-CD 3.48Å; C243-P267 HydrophobicContact CB-CG 3.95Å; E255-P267 HydrophobicContact CB-CB 4.12Å; E255-P267 HydrophobicContact CB-CG 3.98Å; E255-P267 HydrophobicContact CG-CB 4.2Å; E255-P267 HydrophobicContact CG-CG 4.48Å
268A73.7Confident70.6Confident55 Ų5570 Ų7046%0.45539%0.392SS..PPolyproline II helixtrans-68.4145.8174.600000109.4C266 L270 L379C266-A268 PolarHBondContact O-N 2.83Å; A268-L270 PolarHBondContact O-N 3.29Å; A268-L270 VanDerWaalsContact O-N 3.15Å; A268-L379 HydrophobicContact CB-CD1 3.44Å; A268-L379 VanDerWaalsContact CB-CD1 3.44Å
269D78.9Confident72.2Confident29 Ų2963.7 Ų63.716%0.15537%0.369CS..  trans-64.5111.2174.4176.429.5000110.5E228 R244 Y271 N378E228-D269 VanDerWaalsContact CD-CB 3.48Å; E228-D269 WeakPolarHBondContact OE2-CB 3.38Å; E228-D269 VanDerWaalsContact OE2-CG 3.25Å; R244-D269 IonicContact CZ-OD1 3.74Å; R244-D269 IonicContact NE-OD1 2.92Å; R244-D269 PolarHBondContact NE-OD1 3.41Å; R244-D269 IonicContact NH1-OD1 3.32Å; R244-D269 PolarHBondContact NH1-OD1 3.04Å; R244-D269 IonicContact NH2-OD1 3.17Å; R244-D269 PolarHBondContact NH2-OD1 2.92Å; D269-Y271 WeakPolarHBondContact OD2-CD1 3.35Å; D269-N378 PolarHBondContact O-ND2 3.03Å; D269-N378 PolarHBondContact O-OD1 3.49Å
270L85Confident74.3Confident41 Ų4169.1 Ų69.122%0.21540%0.396CS..  trans-107.2121.2179.9-66.5-175.9000108.8F253 E255 A268 T377 L379F253-L270 HydrophobicContact CB-CB 4.47Å; F253-L270 VanDerWaalsContact CB-O 3.26Å; F253-L270 WeakPolarHBondContact CB-O 3.39Å; F253-L270 HydrophobicContact CD2-CB 4.18Å; F253-L270 VanDerWaalsContact CD2-O 3.3Å; F253-L270 WeakPolarHBondContact CD2-O 3.38Å; F253-L270 PolarHBondContact N-O 2.78Å; F253-L270 VanDerWaalsContact N-O 3.07Å; E255-L270 PolarHBondContact OE1-N 2.93Å; A268-L270 PolarHBondContact O-N 3.29Å; A268-L270 VanDerWaalsContact O-N 3.15Å; L270-T377 HydrophobicContact CB-CG2 4.24Å; L270-T377 HydrophobicContact CD1-CG2 4.41Å; L270-T377 HydrophobicContact CD2-CG2 4.24Å; L270-L379 HydrophobicContact CD2-CB 4Å; L270-L379 HydrophobicContact CD2-CD1 3.68Å; L270-L379 HydrophobicContact CD2-CG 3.88Å
271Y88.3Confident76.2Confident37 Ų3772.3 Ų72.315%0.14541%0.406CS..BIsolated β-bridgetrans-129157.9167.850.9-91.9000110.7C251 D269 R273 T377 N378C251-Y271 WeakPolarHBondContact O-CB 3.25Å; D269-Y271 WeakPolarHBondContact OD2-CD1 3.35Å; Y271-R273 PolarHBondContact O-N 2.86Å; Y271-T377 CarbonylContact O-C 3.52Å; Y271-T377 WeakPolarHBondContact O-CA 3.37Å; Y271-T377 WeakPolarHBondContact O-CB 3.47Å; Y271-N378 HydrophobicContact CD1-CB 4.3Å; Y271-N378 HydrophobicContact CD2-CB 3.77Å; Y271-N378 HydrophobicContact CE1-CB 3.98Å; Y271-N378 WeakPolarHBondContact CE1-ND2 3.34Å; Y271-N378 HydrophobicContact CE2-CB 3.4Å; Y271-N378 VanDerWaalsContact CE2-CB 3.4Å; Y271-N378 HydrophobicContact CG-CB 4.2Å; Y271-N378 PolarHBondContact N-OD1 3.4Å; Y271-N378 VanDerWaalsContact N-OD1 3.17Å; Y271-N378 PolarHBondContact O-N 3.41Å; Y271-N378 PolarHBondContact O-OD1 3.08Å
272K89.9Confident78Confident51 Ų5169.1 Ų69.122%0.22239%0.392CS..BIsolated β-bridgetrans-56.2133.6174.8-62.4-164.6-175.2169.40108.6E250 C251 F253 D274 T276 C286 V375E250-K272 WeakPolarHBondContact O-CD 3.1Å; E250-K272 WeakPolarHBondContact O-CE 3.18Å; E250-K272 PolarHBondContact O-NZ 2.96Å; C251-K272 WeakPolarHBondContact O-CB 3.48Å; C251-K272 PolarHBondContact O-N 2.89Å; F253-K272 HydrophobicContact CE2-CB 4.45Å; F253-K272 HydrophobicContact CE2-CG 3.73Å; F253-K272 HydrophobicContact CZ-CG 3.68Å; K272-D274 PolarHBondContact O-N 2.66Å; K272-T276 HydrophobicContact CB-CG2 4.36Å; K272-T276 HydrophobicContact CD-CG2 4.05Å; K272-C286 HydrophobicContact CB-CB 4.37Å; K272-V375 HydrophobicContact CB-CG1 4.32Å; K272-V375 HydrophobicContact CD-CG1 3.87Å; K272-V375 HydrophobicContact CG-CG1 3.77Å
273R85.4Confident79.8Confident47 Ų4765.8 Ų65.818%0.17737%0.371CS..PPolyproline II helixtrans-49.4140.9179.8178.8-173.7-78.8168.6-5.3111.1Y271 G275 T276 R358 C376 N380Y271-R273 PolarHBondContact O-N 2.86Å; R273-G275 PolarHBondContact O-N 2.91Å; R273-T276 VanDerWaalsContact O-CB 3.29Å; R273-T276 WeakPolarHBondContact O-CB 3.36Å; R273-T276 PolarHBondContact O-N 2.73Å; R273-T276 PolarHBondContact O-OG1 3.31Å; R273-R358 PolarHBondContact NE-O 2.85Å; R273-R358 PolarHBondContact NH2-O 3.38Å; R273-R358 VanDerWaalsContact NH2-O 3.1Å; R273-C376 WeakPolarHBondContact CB-O 3.39Å; R273-C376 PolarHBondContact N-O 3.44Å; R273-C376 PolarHBondContact NE-SG 3.03Å; R273-C376 VanDerWaalsContact NE-SG 3.39Å; R273-C376 PolarHBondContact NH2-SG 2.88Å; R273-N380 PolarHBondContact NH2-OD1 2.87Å
274D83Confident81.7Confident54 Ų5463.5 Ų63.529%0.28935%0.353SS..THydrogen-bonded Turntrans-53.8132.7173.8-60.9-20000111.5K272 C286 Y287 H288K272-D274 PolarHBondContact O-N 2.66Å; D274-C286 CarbonylContact C-O 2.91Å; D274-C286 VanDerWaalsContact CA-O 3.26Å; D274-C286 WeakPolarHBondContact CA-O 3.36Å; D274-Y287 HydrophobicContact CB-CD2 4.3Å; D274-Y287 VanDerWaalsContact OD1-CA 3.29Å; D274-Y287 WeakPolarHBondContact OD1-CA 3.19Å; D274-H288 PolarHBondContact OD1-N 3.04Å
275G79.3Confident83.3Confident50 Ų5062.1 Ų62.152%0.51534%0.344SS..THydrogen-bonded Turntrans90.3-2.6-174.200000114.9R273 A277 Y285 C286R273-G275 PolarHBondContact O-N 2.91Å; G275-A277 PolarHBondContact O-N 2.97Å; G275-Y285 WeakPolarHBondContact O-CD1 3.29Å; G275-C286 PolarHBondContact N-O 3.06Å
276T87.2Confident84.7Confident42 Ų4256.9 Ų56.926%0.25831%0.312SS..  trans-63.9129.7169.1-57.30000109.5K272 R273 Y285 C286K272-T276 HydrophobicContact CB-CG2 4.36Å; K272-T276 HydrophobicContact CD-CG2 4.05Å; R273-T276 VanDerWaalsContact O-CB 3.29Å; R273-T276 WeakPolarHBondContact O-CB 3.36Å; R273-T276 PolarHBondContact O-N 2.73Å; R273-T276 PolarHBondContact O-OG1 3.31Å; T276-Y285 CarbonylContact O-C 2.93Å; T276-Y285 VanDerWaalsContact O-CA 3.29Å; T276-Y285 WeakPolarHBondContact O-CA 3.44Å; T276-C286 PolarHBondContact O-N 3.35Å
277A90Very high85.6Confident62 Ų6259.8 Ų59.851%0.51232%0.32SS..EExtended strand (participates in β ladder)trans-64.6139.5179.900000111.6G275 Y285G275-A277 PolarHBondContact O-N 2.97Å; A277-Y285 HydrophobicContact CB-CD1 4.39Å; A277-Y285 HydrophobicContact CB-CE1 4.32Å
278C93.1Very high86.4Confident5 Ų562.5 Ų62.53%0.03433%0.33CS..EExtended strand (participates in β ladder)trans-138.2168.8176.164.80000111.2E250 G282 E283 G284 Y285 C291E250-C278 HydrophobicContact CB-CB 4.33Å; C278-G282 CarbonylContact O-C 3.55Å; C278-G282 VanDerWaalsContact O-CA 3.31Å; C278-G282 WeakPolarHBondContact O-CA 3.48Å; C278-E283 PolarHBondContact O-N 3.08Å; C278-E283 VanDerWaalsContact O-N 3.17Å; C278-G284 PolarHBondContact N-O 3.45Å; C278-G284 PolarHBondContact O-N 3.46Å; C278-Y285 VanDerWaalsContact SG-C 3.54Å; C278-Y285 PolarHBondContact SG-N 2.89Å; C278-Y285 VanDerWaalsContact SG-N 3.35Å; C278-C291 HydrophobicContact CB-CB 3.84Å; C278-C291 WeakPolarHBondContact CB-SG 3.4Å; C278-C291 WeakPolarHBondContact SG-CA 3.37Å; C278-C291 WeakPolarHBondContact SG-CB 3.46Å; C278-C291 CovalentContact SG-SG 2.03Å; C278-C291 PolarHBondContact SG-SG 3.39Å
279G89.1Confident87Confident14 Ų1460 Ų6014%0.14431%0.31CS..SBendtrans80.1152.4-16600000112.2E250 R281 G282E250-G279 WeakPolarHBondContact OE2-CA 3.44Å; E250-G279 PolarHBondContact OE2-N 2.92Å; G279-R281 PolarHBondContact O-N 3.17Å; G279-G282 PolarHBondContact O-N 3.44Å
280D88.5Confident87.7Confident170 Ų17065.1 Ų65.191%0.90933%0.327SS*.THydrogen-bonded Turntrans-51.5-26.8-176.2-63.8-38.5000114.6
281R87.4Confident88Confident217 Ų21764.3 Ų64.382%0.81932%0.324SS*.THydrogen-bonded Turntrans-120.412.9-177.8-60.8177.3-178.5171.51.2113.5G279 E283G279-R281 PolarHBondContact O-N 3.17Å; R281-E283 HydrophobicContact CB-CG 4.04Å
282G85.8Confident88.1Confident33 Ų3365.4 Ų65.434%0.3433%0.332SS..SBendtrans68.536.9-175.300000113C278 G279 G284C278-G282 CarbonylContact O-C 3.55Å; C278-G282 VanDerWaalsContact O-CA 3.31Å; C278-G282 WeakPolarHBondContact O-CA 3.48Å; G279-G282 PolarHBondContact O-N 3.44Å; G282-G284 VanDerWaalsContact C-N 3.27Å
283E86.9Confident88.1Confident87 Ų8765.9 Ų65.941%0.40733%0.332SS..  trans-78.5-12.8-177.5-64.2172.5161.500112.6C278 R281 R293C278-E283 PolarHBondContact O-N 3.08Å; C278-E283 VanDerWaalsContact O-N 3.17Å; R281-E283 HydrophobicContact CB-CG 4.04Å; E283-R293 IonicContact OE2-CZ 2.73Å; E283-R293 IonicContact OE2-NH1 2.85Å; E283-R293 PolarHBondContact OE2-NH1 3.3Å; E283-R293 IonicContact OE2-NH2 3.72Å; E283-R293 PolarHBondContact OE2-NH2 3.21Å
284G89.5Confident88.1Confident1 Ų165.4 Ų65.41%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-137.9177.9178.700000112.8C278 G282 I292C278-G284 PolarHBondContact N-O 3.45Å; C278-G284 PolarHBondContact O-N 3.46Å; G282-G284 VanDerWaalsContact C-N 3.27Å; G284-I292 WeakPolarHBondContact CA-O 3.31Å
285Y89.7Confident88.2Confident138 Ų13864.6 Ų64.654%0.54133%0.334SS..EExtended strand (participates in β ladder)trans-134.4144.2175.5-59.2-80.7000110.6G275 T276 A277 C278 I292G275-Y285 WeakPolarHBondContact O-CD1 3.29Å; T276-Y285 CarbonylContact O-C 2.93Å; T276-Y285 VanDerWaalsContact O-CA 3.29Å; T276-Y285 WeakPolarHBondContact O-CA 3.44Å; A277-Y285 HydrophobicContact CB-CD1 4.39Å; A277-Y285 HydrophobicContact CB-CE1 4.32Å; C278-Y285 VanDerWaalsContact SG-C 3.54Å; C278-Y285 PolarHBondContact SG-N 2.89Å; C278-Y285 VanDerWaalsContact SG-N 3.35Å; Y285-I292 PolarHBondContact N-O 3.15Å; Y285-I292 WeakPolarHBondContact O-CB 3.37Å; Y285-I292 PolarHBondContact O-N 3.15Å
286C90.5Very high88.7Confident2 Ų266.2 Ų66.21%0.01433%0.331CS..EExtended strand (participates in β ladder)trans-65.2138.3173.7-610000110.6C251 K272 D274 G275 T276 R290C251-C286 WeakPolarHBondContact CA-SG 3.29Å; C251-C286 HydrophobicContact CB-CB 3.68Å; C251-C286 WeakPolarHBondContact CB-SG 3.1Å; C251-C286 WeakPolarHBondContact SG-CA 3.16Å; C251-C286 WeakPolarHBondContact SG-CB 3.21Å; C251-C286 CovalentContact SG-SG 2.04Å; C251-C286 PolarHBondContact SG-SG 2.89Å; K272-C286 HydrophobicContact CB-CB 4.37Å; D274-C286 CarbonylContact C-O 2.91Å; D274-C286 VanDerWaalsContact CA-O 3.26Å; D274-C286 WeakPolarHBondContact CA-O 3.36Å; G275-C286 PolarHBondContact N-O 3.06Å; T276-C286 PolarHBondContact O-N 3.35Å; C286-R290 CarbonylContact C-O 3.5Å; C286-R290 WeakPolarHBondContact CA-O 3.45Å
287Y86.8Confident88.7Confident82 Ų8268.5 Ų68.532%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-149.8119.6171.7-176.2-104.2000109.2D274 G289 R290D274-Y287 HydrophobicContact CB-CD2 4.3Å; D274-Y287 VanDerWaalsContact OD1-CA 3.29Å; D274-Y287 WeakPolarHBondContact OD1-CA 3.19Å; Y287-G289 VanDerWaalsContact C-N 3.32Å; Y287-G289 PolarHBondContact O-N 3.27Å; Y287-R290 PolarHBondContact N-O 3.01Å; Y287-R290 PolarHBondContact O-N 2.68Å; Y287-R290 VanDerWaalsContact O-N 3.12Å
288H85.5Confident88.6Confident95 Ų9567 Ų6744%0.4432%0.324SS..THydrogen-bonded Turntrans46.852.6-175.1-65.2-53.4000113.1D274 R290D274-H288 PolarHBondContact OD1-N 3.04Å; H288-R290 VanDerWaalsContact C-N 3.28Å; H288-R290 PolarHBondContact O-N 2.84Å
289G87.4Confident88.5Confident4 Ų470.1 Ų70.14%0.04134%0.338CS..THydrogen-bonded Turntrans68.717177.900000115.3D248 D252 Y287D248-G289 WeakPolarHBondContact CB-O 3.18Å; D252-G289 WeakPolarHBondContact CB-O 2.86Å; Y287-G289 VanDerWaalsContact C-N 3.32Å; Y287-G289 PolarHBondContact O-N 3.27Å
290R92.9Very high88.5Confident136 Ų13678.4 Ų78.451%0.51337%0.37SS..EExtended strand (participates in β ladder)trans-129.8143.8175.7-66.5-175.4179.787.1-1.9112.5V247 D248 C286 Y287 H288 I292V247-R290 HydrophobicContact CG1-CG 4.2Å; D248-R290 HydrophobicContact CB-CG 4.5Å; C286-R290 CarbonylContact C-O 3.5Å; C286-R290 WeakPolarHBondContact CA-O 3.45Å; Y287-R290 PolarHBondContact N-O 3.01Å; Y287-R290 PolarHBondContact O-N 2.68Å; Y287-R290 VanDerWaalsContact O-N 3.12Å; H288-R290 VanDerWaalsContact C-N 3.28Å; H288-R290 PolarHBondContact O-N 2.84Å; R290-I292 HydrophobicContact CB-CD1 4.35Å; R290-I292 PolarHBondContact O-N 2.72Å
291C92.6Very high88.5Confident24 Ų2477.2 Ų77.216%0.16236%0.363CS..EExtended strand (participates in β ladder)trans-77.1107.8174-176.50000110.5D248 C251 C278D248-C291 WeakPolarHBondContact OD2-CB 3.48Å; D248-C291 PolarHBondContact OD2-N 3.21Å; C251-C291 VanDerWaalsContact SG-CA 3.56Å; C251-C291 PolarHBondContact SG-N 3.41Å; C278-C291 HydrophobicContact CB-CB 3.84Å; C278-C291 WeakPolarHBondContact CB-SG 3.4Å; C278-C291 WeakPolarHBondContact SG-CA 3.37Å; C278-C291 WeakPolarHBondContact SG-CB 3.46Å; C278-C291 CovalentContact SG-SG 2.03Å; C278-C291 PolarHBondContact SG-SG 3.39Å
292I89.9Confident88.6Confident60 Ų6073.6 Ų73.631%0.30836%0.359SS..EExtended strand (participates in β ladder)trans-91.5110.4-179.5-61.8-51.7000109.7G284 Y285 R290G284-I292 WeakPolarHBondContact CA-O 3.31Å; Y285-I292 PolarHBondContact N-O 3.15Å; Y285-I292 WeakPolarHBondContact O-CB 3.37Å; Y285-I292 PolarHBondContact O-N 3.15Å; R290-I292 HydrophobicContact CB-CD1 4.35Å; R290-I292 PolarHBondContact O-N 2.72Å
293R89.6Confident88.8Confident60 Ų6073.6 Ų73.623%0.22636%0.36CS..EExtended strand (participates in β ladder)trans-109.4115.4176.8-79.1-174.760.3143.98.3111.5E283 D295 L296 Q297E283-R293 IonicContact OE2-CZ 2.73Å; E283-R293 IonicContact OE2-NH1 2.85Å; E283-R293 PolarHBondContact OE2-NH1 3.3Å; E283-R293 IonicContact OE2-NH2 3.72Å; E283-R293 PolarHBondContact OE2-NH2 3.21Å; R293-D295 WeakPolarHBondContact CB-OD1 3.39Å; R293-D295 IonicContact CZ-OD1 3.46Å; R293-D295 IonicContact CZ-OD2 2.73Å; R293-D295 IonicContact NE-OD1 2.75Å; R293-D295 PolarHBondContact NE-OD1 2.73Å; R293-D295 IonicContact NE-OD2 3.4Å; R293-D295 IonicContact NH2-OD1 3.3Å; R293-D295 IonicContact NH2-OD2 3.49Å; R293-D295 PolarHBondContact NH2-OD2 3.12Å; R293-D295 PolarHBondContact O-N 2.99Å; R293-L296 HydrophobicContact CB-CB 4.13Å; R293-L296 HydrophobicContact CB-CD1 3.95Å; R293-L296 HydrophobicContact CB-CG 3.95Å; R293-L296 HydrophobicContact CG-CD1 4.44Å; R293-L296 PolarHBondContact O-N 2.7Å; R293-Q297 WeakPolarHBondContact O-CG 3.5Å; R293-Q297 PolarHBondContact O-N 2.9Å
294A85.5Confident88.9Confident38 Ų3873.7 Ų73.731%0.31438%0.375SS..Hα-helixtrans-67.6-35.1-172.400000113.1Q297 C298 V308A294-Q297 PolarHBondContact O-N 3.25Å; A294-C298 PolarHBondContact O-N 3.5Å; A294-C298 PolarHBondContact O-SG 3.46Å; A294-C298 VanDerWaalsContact O-SG 3.34Å; A294-V308 HydrophobicContact CB-CB 3.98Å; A294-V308 HydrophobicContact CB-CG2 3.48Å; A294-V308 VanDerWaalsContact CB-CG2 3.48Å
295D86.1Confident88.9Confident36 Ų3683.2 Ų83.219%0.19342%0.419CS..Hα-helixtrans-60.3-47.2173.862-37.3000111.6R293 Q297 C298 Q299R293-D295 WeakPolarHBondContact CB-OD1 3.39Å; R293-D295 IonicContact CZ-OD1 3.46Å; R293-D295 IonicContact CZ-OD2 2.73Å; R293-D295 IonicContact NE-OD1 2.75Å; R293-D295 PolarHBondContact NE-OD1 2.73Å; R293-D295 IonicContact NE-OD2 3.4Å; R293-D295 IonicContact NH2-OD1 3.3Å; R293-D295 IonicContact NH2-OD2 3.49Å; R293-D295 PolarHBondContact NH2-OD2 3.12Å; R293-D295 PolarHBondContact O-N 2.99Å; D295-Q297 VanDerWaalsContact C-N 3.33Å; D295-Q297 PolarHBondContact O-N 3Å; D295-C298 WeakPolarHBondContact O-CB 3.1Å; D295-C298 PolarHBondContact O-N 3.22Å; D295-Q299 VanDerWaalsContact O-CG 3.26Å; D295-Q299 WeakPolarHBondContact O-CG 3.39Å; D295-Q299 PolarHBondContact O-N 2.71Å
296L88.7Confident88.9Confident84 Ų8477.8 Ų77.844%0.4440%0.402SS..Hα-helixtrans-66.1-35.8178-61.7-174.5000112R293 Q299 K300R293-L296 HydrophobicContact CB-CB 4.13Å; R293-L296 HydrophobicContact CB-CD1 3.95Å; R293-L296 HydrophobicContact CB-CG 3.95Å; R293-L296 HydrophobicContact CG-CD1 4.44Å; R293-L296 PolarHBondContact O-N 2.7Å; L296-Q299 PolarHBondContact O-N 3.04Å; L296-K300 WeakPolarHBondContact O-CB 3.39Å; L296-K300 PolarHBondContact O-N 3.38Å
297Q88.2Confident88.8Confident90 Ų9081.4 Ų81.442%0.42143%0.431SS..Hα-helixtrans-65.6-44.2174.4-71.9-178.6700112.1R293 A294 D295 Q299 K300 L301R293-Q297 WeakPolarHBondContact O-CG 3.5Å; R293-Q297 PolarHBondContact O-N 2.9Å; A294-Q297 PolarHBondContact O-N 3.25Å; D295-Q297 VanDerWaalsContact C-N 3.33Å; D295-Q297 PolarHBondContact O-N 3Å; Q297-Q299 VanDerWaalsContact C-N 3.33Å; Q297-Q299 PolarHBondContact O-N 2.82Å; Q297-K300 PolarHBondContact O-N 2.89Å; Q297-L301 WeakPolarHBondContact O-CG 3.39Å; Q297-L301 PolarHBondContact O-N 2.89Å; Q297-L301 VanDerWaalsContact O-N 3.1Å
298C87.5Confident88.8Confident31 Ų3180.6 Ų80.621%0.20944%0.435CS..Hα-helixtrans-57.6-49.2172.1-71.90000110.3A294 D295 K300 L301 L302 S306A294-C298 PolarHBondContact O-N 3.5Å; A294-C298 PolarHBondContact O-SG 3.46Å; A294-C298 VanDerWaalsContact O-SG 3.34Å; D295-C298 WeakPolarHBondContact O-CB 3.1Å; D295-C298 PolarHBondContact O-N 3.22Å; C298-K300 VanDerWaalsContact C-N 3.29Å; C298-K300 PolarHBondContact O-N 3.43Å; C298-L301 PolarHBondContact O-N 3.23Å; C298-L301 VanDerWaalsContact O-N 3.09Å; C298-L302 WeakPolarHBondContact O-CB 3.46Å; C298-L302 PolarHBondContact O-N 3.49Å; C298-S306 PolarHBondContact O-OG 2.83Å
299Q90.7Very high88.7Confident71 Ų7178.2 Ų78.233%0.33243%0.432SS..Hα-helixtrans-59.7-39-179.3-71.3169.722.400112.9D295 L296 Q297 G303 S306D295-Q299 VanDerWaalsContact O-CG 3.26Å; D295-Q299 WeakPolarHBondContact O-CG 3.39Å; D295-Q299 PolarHBondContact O-N 2.71Å; L296-Q299 PolarHBondContact O-N 3.04Å; Q297-Q299 VanDerWaalsContact C-N 3.33Å; Q297-Q299 PolarHBondContact O-N 2.82Å; Q299-G303 WeakPolarHBondContact CA-O 3.36Å; Q299-G303 CarbonylContact O-C 3.54Å; Q299-G303 VanDerWaalsContact O-C 3.23Å; Q299-G303 WeakPolarHBondContact O-CA 3.43Å; Q299-G303 PolarHBondContact O-N 3.48Å; Q299-S306 VanDerWaalsContact CA-OG 3.24Å; Q299-S306 WeakPolarHBondContact CA-OG 3.01Å; Q299-S306 WeakPolarHBondContact CG-O 3.35Å; Q299-S306 PolarHBondContact N-OG 2.94Å; Q299-S306 VanDerWaalsContact N-OG 3.12Å
300K88.8Confident88.8Confident188 Ų18883.7 Ų83.782%0.81746%0.46SS*.Hα-helixtrans-66.5-35.8176.8-172.5175.2-178.41790112.8L296 Q297 C298L296-K300 WeakPolarHBondContact O-CB 3.39Å; L296-K300 PolarHBondContact O-N 3.38Å; Q297-K300 PolarHBondContact O-N 2.89Å; C298-K300 VanDerWaalsContact C-N 3.29Å; C298-K300 PolarHBondContact O-N 3.43Å
301L88.4Confident88.2Confident145 Ų14582.8 Ų82.876%0.75946%0.462SS*.Hα-helixtrans-91.1-38.3-175.3-68.8172000113.6Q297 C298Q297-L301 WeakPolarHBondContact O-CG 3.39Å; Q297-L301 PolarHBondContact O-N 2.89Å; Q297-L301 VanDerWaalsContact O-N 3.1Å; C298-L301 PolarHBondContact O-N 3.23Å; C298-L301 VanDerWaalsContact O-N 3.09Å
302L90.3Very high87.8Confident140 Ų14084.3 Ų84.373%0.73348%0.476SS*.Hα-helixtrans-114.9-5.9-170.2-58.3176.7000113.1C298C298-L302 WeakPolarHBondContact O-CB 3.46Å; C298-L302 PolarHBondContact O-N 3.49Å
303G89.6Confident87.5Confident34 Ų3483.9 Ų83.935%0.35148%0.478SS..  trans100.1162.5179.800000113.7Q299 Q305 S306Q299-G303 WeakPolarHBondContact CA-O 3.36Å; Q299-G303 CarbonylContact O-C 3.54Å; Q299-G303 VanDerWaalsContact O-C 3.23Å; Q299-G303 WeakPolarHBondContact O-CA 3.43Å; Q299-G303 PolarHBondContact O-N 3.48Å; G303-Q305 PolarHBondContact O-N 3.35Å; G303-S306 WeakPolarHBondContact O-CB 3.46Å; G303-S306 PolarHBondContact O-N 3.09Å; G303-S306 PolarHBondContact O-OG 3.39Å
304A89.1Confident87Confident88 Ų8885.6 Ų85.673%0.72749%0.487SS*.THydrogen-bonded Turntrans-58.7-20.6-165.900000116.2
305Q89.6Confident86.7Confident202 Ų20291.7 Ų91.794%0.94450%0.502SS*.THydrogen-bonded Turntrans-89.6-2.9178.6-66-171-17.200113.8G303G303-Q305 PolarHBondContact O-N 3.35Å
306S89.5Confident86.4Confident24 Ų2495.3 Ų95.317%0.16852%0.519CS..  trans-77.5151.6177.363.40000111.5C298 Q299 G303C298-S306 PolarHBondContact O-OG 2.83Å; Q299-S306 VanDerWaalsContact CA-OG 3.24Å; Q299-S306 WeakPolarHBondContact CA-OG 3.01Å; Q299-S306 WeakPolarHBondContact CG-O 3.35Å; Q299-S306 PolarHBondContact N-OG 2.94Å; Q299-S306 VanDerWaalsContact N-OG 3.12Å; G303-S306 WeakPolarHBondContact O-CB 3.46Å; G303-S306 PolarHBondContact O-N 3.09Å; G303-S306 PolarHBondContact O-OG 3.39Å
307A87.1Confident86.2Confident77 Ų7794.8 Ų94.864%0.63651%0.513SS*.  trans-133.7157.7178.600000109.4
308V87.3Confident85.8Confident65 Ų6592.7 Ų92.739%0.39451%0.505SS..PPolyproline II helixtrans-61.4145.9172.764.90000110.4A294 F314A294-V308 HydrophobicContact CB-CB 3.98Å; A294-V308 HydrophobicContact CB-CG2 3.48Å; A294-V308 VanDerWaalsContact CB-CG2 3.48Å; V308-F314 HydrophobicContact CG2-CE2 3.98Å; V308-F314 HydrophobicContact CG2-CZ 3.95Å
309A84.8Confident85.7Confident46 Ų4695.2 Ų95.238%0.3852%0.516SS..PPolyproline II helixtrans-68.9161.2174.100000111.8C313 F314A309-C313 HydrophobicContact CB-CB 3.96Å; A309-F314 HydrophobicContact CB-CE2 3.96Å; A309-F314 HydrophobicContact CB-CZ 4.15Å; A309-F314 WeakPolarHBondContact O-CE2 3.48Å
310D87.6Confident85.5Confident119 Ų11995.3 Ų95.364%0.63652%0.517SS*.PPolyproline II helixtrans-58.9144.7171.2-170.6-81.2000111A312 C313D310-A312 PolarHBondContact O-N 2.88Å; D310-A312 VanDerWaalsContact O-N 3.13Å; D310-A312 WeakPolarHBondContact OD1-CB 3.26Å; D310-A312 PolarHBondContact OD1-N 3.22Å; D310-C313 WeakPolarHBondContact O-CB 3.2Å; D310-C313 PolarHBondContact O-N 3.49Å
311E81.8Confident85.5Confident117 Ų11787.5 Ų87.555%0.54749%0.489SS..Hα-helixtrans-56.3-32.4-179.6-161.7-173.617700112.4C313 F314 R315E311-C313 PolarHBondContact O-N 3.5Å; E311-F314 PolarHBondContact O-N 2.87Å; E311-R315 VanDerWaalsContact CD-CZ 3.5Å; E311-R315 VanDerWaalsContact CD-NH2 3.26Å; E311-R315 PolarHBondContact O-N 3.29Å; E311-R315 VanDerWaalsContact O-N 3.11Å; E311-R315 IonicContact OE1-CZ 3.08Å; E311-R315 IonicContact OE1-NE 2.98Å; E311-R315 PolarHBondContact OE1-NE 3.07Å; E311-R315 IonicContact OE1-NH2 3.36Å; E311-R315 PolarHBondContact OE1-NH2 3.19Å; E311-R315 IonicContact OE2-CZ 3.69Å; E311-R315 IonicContact OE2-NE 3.99Å; E311-R315 IonicContact OE2-NH2 2.91Å; E311-R315 PolarHBondContact OE2-NH2 3.04Å
312A83.9Confident85.6Confident56 Ų5682.9 Ų82.946%0.46347%0.467SS..Hα-helixtrans-59.4-31.417500000112.4D310 M316D310-A312 PolarHBondContact O-N 2.88Å; D310-A312 VanDerWaalsContact O-N 3.13Å; D310-A312 WeakPolarHBondContact OD1-CB 3.26Å; D310-A312 PolarHBondContact OD1-N 3.22Å; A312-M316 WeakPolarHBondContact O-CB 3.36Å; A312-M316 PolarHBondContact O-N 2.99Å
313C83.2Confident85.5Confident50 Ų5081.3 Ų81.334%0.33847%0.465SS..Hα-helixtrans-62.5-48.9177.4-169.40000110.7A309 D310 E311 M316 F317A309-C313 HydrophobicContact CB-CB 3.96Å; D310-C313 WeakPolarHBondContact O-CB 3.2Å; D310-C313 PolarHBondContact O-N 3.49Å; E311-C313 PolarHBondContact O-N 3.5Å; C313-M316 PolarHBondContact O-N 3.34Å; C313-F317 HydrophobicContact CB-CD2 4.5Å; C313-F317 VanDerWaalsContact O-CB 3.3Å; C313-F317 WeakPolarHBondContact O-CB 3.17Å; C313-F317 WeakPolarHBondContact O-CD2 3.31Å; C313-F317 PolarHBondContact O-N 3.26Å
314F79.7Confident85.3Confident96 Ų9685.5 Ų85.542%0.42148%0.484SS..Hα-helixtrans-64.9-44.7179.1-59.5-81000111.8V308 A309 E311 M316 N318V308-F314 HydrophobicContact CG2-CE2 3.98Å; V308-F314 HydrophobicContact CG2-CZ 3.95Å; A309-F314 HydrophobicContact CB-CE2 3.96Å; A309-F314 HydrophobicContact CB-CZ 4.15Å; A309-F314 WeakPolarHBondContact O-CE2 3.48Å; E311-F314 PolarHBondContact O-N 2.87Å; F314-M316 PolarHBondContact O-N 2.92Å; F314-N318 WeakPolarHBondContact O-CB 3.31Å; F314-N318 VanDerWaalsContact O-CG 3.25Å; F314-N318 PolarHBondContact O-N 3.28Å; F314-N318 PolarHBondContact O-ND2 3.49Å
315R78.1Confident85.2Confident166 Ų16681.5 Ų81.563%0.62645%0.452SS*.Hα-helixtrans-67.3-34.9-178.8-67.9179.6179.3-173.1-0.4112.8E311E311-R315 VanDerWaalsContact CD-CZ 3.5Å; E311-R315 VanDerWaalsContact CD-NH2 3.26Å; E311-R315 PolarHBondContact O-N 3.29Å; E311-R315 VanDerWaalsContact O-N 3.11Å; E311-R315 IonicContact OE1-CZ 3.08Å; E311-R315 IonicContact OE1-NE 2.98Å; E311-R315 PolarHBondContact OE1-NE 3.07Å; E311-R315 IonicContact OE1-NH2 3.36Å; E311-R315 PolarHBondContact OE1-NH2 3.19Å; E311-R315 IonicContact OE2-CZ 3.69Å; E311-R315 IonicContact OE2-NE 3.99Å; E311-R315 IonicContact OE2-NH2 2.91Å; E311-R315 PolarHBondContact OE2-NH2 3.04Å
316M81.3Confident85.2Confident112 Ų11273.7 Ų73.755%0.55242%0.415SS*.Hα-helixtrans-90.2-40.8-175-167.4-179.7176.600113.1A312 C313 F314 I319 M320A312-M316 WeakPolarHBondContact O-CB 3.36Å; A312-M316 PolarHBondContact O-N 2.99Å; C313-M316 PolarHBondContact O-N 3.34Å; F314-M316 PolarHBondContact O-N 2.92Å; M316-I319 VanDerWaalsContact O-CG1 3.27Å; M316-I319 WeakPolarHBondContact O-CG1 3.4Å; M316-M320 HydrophobicContact CE-CE 4.01Å; M316-M320 HydrophobicContact CG-CE 3.86Å; M316-M320 WeakPolarHBondContact O-CG 3.28Å; M316-M320 HydrophobicContact SD-CE 4.45Å
317F83Confident85.2Confident74 Ų7472.6 Ų72.633%0.32541%0.408SS..Hα-helixtrans-90-30.8-172.7-70.9-91.2000113.2C313 I319 M320 G325 H326C313-F317 HydrophobicContact CB-CD2 4.5Å; C313-F317 VanDerWaalsContact O-CB 3.3Å; C313-F317 WeakPolarHBondContact O-CB 3.17Å; C313-F317 WeakPolarHBondContact O-CD2 3.31Å; C313-F317 PolarHBondContact O-N 3.26Å; F317-I319 PolarHBondContact O-N 3.44Å; F317-I319 VanDerWaalsContact O-N 3.09Å; F317-M320 HydrophobicContact CD1-CE 3.61Å; F317-M320 HydrophobicContact CD1-SD 3.65Å; F317-M320 HydrophobicContact CD2-CE 4.47Å; F317-M320 HydrophobicContact CE1-CE 3.65Å; F317-M320 HydrophobicContact CE1-SD 4Å; F317-M320 HydrophobicContact CG-CE 4.05Å; F317-M320 HydrophobicContact CG-SD 4.39Å; F317-M320 HydrophobicContact CZ-CE 4.13Å; F317-M320 PolarHBondContact O-N 3.26Å; F317-M320 VanDerWaalsContact O-N 3.16Å; F317-G325 CarbonylContact O-C 3.58Å; F317-G325 VanDerWaalsContact O-CA 3.23Å; F317-G325 WeakPolarHBondContact O-CA 3.4Å; F317-G325 VanDerWaalsContact O-O 3.08Å; F317-H326 PolarHBondContact O-N 3.36Å
318N80.3Confident85.4Confident46 Ų4669 Ų6925%0.24638%0.378CS..THydrogen-bonded Turntrans-66.7-14.6178.9-67.5-10.5000113.3F314 C338 C344F314-N318 WeakPolarHBondContact O-CB 3.31Å; F314-N318 VanDerWaalsContact O-CG 3.25Å; F314-N318 PolarHBondContact O-N 3.28Å; F314-N318 PolarHBondContact O-ND2 3.49Å; N318-C338 VanDerWaalsContact O-CB 3.28Å; N318-C338 WeakPolarHBondContact O-CB 3.43Å; N318-C338 PolarHBondContact O-N 3Å; N318-C344 HydrophobicContact CB-CB 4.18Å
319I85.3Confident85.6Confident84 Ų8471.3 Ų71.343%0.43138%0.383SS..THydrogen-bonded Turntrans-99.2-4.1179.267.4171.2000113.8M316 F317 C338 T339M316-I319 VanDerWaalsContact O-CG1 3.27Å; M316-I319 WeakPolarHBondContact O-CG1 3.4Å; F317-I319 PolarHBondContact O-N 3.44Å; F317-I319 VanDerWaalsContact O-N 3.09Å; I319-C338 VanDerWaalsContact CG2-O 3.31Å; I319-C338 WeakPolarHBondContact CG2-O 3.44Å; I319-T339 WeakPolarHBondContact O-CG2 3.27Å
320M86.7Confident85.7Confident73 Ų7372.4 Ų72.436%0.3638%0.383SS..THydrogen-bonded Turntrans-78-38.4-173.2-70.4-171.3-172.800113.6M316 F317 T322 G325M316-M320 HydrophobicContact CE-CE 4.01Å; M316-M320 HydrophobicContact CG-CE 3.86Å; M316-M320 WeakPolarHBondContact O-CG 3.28Å; M316-M320 HydrophobicContact SD-CE 4.45Å; F317-M320 HydrophobicContact CD1-CE 3.61Å; F317-M320 HydrophobicContact CD1-SD 3.65Å; F317-M320 HydrophobicContact CD2-CE 4.47Å; F317-M320 HydrophobicContact CE1-CE 3.65Å; F317-M320 HydrophobicContact CE1-SD 4Å; F317-M320 HydrophobicContact CG-CE 4.05Å; F317-M320 HydrophobicContact CG-SD 4.39Å; F317-M320 HydrophobicContact CZ-CE 4.13Å; F317-M320 PolarHBondContact O-N 3.26Å; F317-M320 VanDerWaalsContact O-N 3.16Å; M320-T322 VanDerWaalsContact C-N 3.34Å; M320-T322 HydrophobicContact CB-CG2 4.02Å; M320-G325 WeakPolarHBondContact CB-O 3.3Å
321G88.8Confident85.9Confident23 Ų2378.5 Ų78.524%0.23740%0.396CS..  trans6636.1-17200000113.2G325G321-G325 PolarHBondContact N-O 2.72Å
322T90.8Very high86.4Confident49 Ų4983.6 Ų83.630%0.30141%0.411SS..BIsolated β-bridgetrans-109161.4175.4630000109.9M320 T324 G325 H326M320-T322 VanDerWaalsContact C-N 3.34Å; M320-T322 HydrophobicContact CB-CG2 4.02Å; T322-T324 PolarHBondContact O-N 2.82Å; T322-G325 PolarHBondContact N-O 3.21Å; T322-G325 CarbonylContact O-C 3.53Å; T322-G325 VanDerWaalsContact O-C 3.3Å; T322-G325 PolarHBondContact O-N 3.04Å; T322-G325 VanDerWaalsContact O-O 3.1Å; T322-G325 PolarHBondContact OG1-N 2.93Å; T322-G325 PolarHBondContact OG1-O 2.78Å; T322-H326 WeakPolarHBondContact O-CB 3.25Å; T322-H326 PolarHBondContact O-CD2 3.02Å
323P87.4Confident86.7Confident106 Ų10688.3 Ų88.369%0.68843%0.425SS*.THydrogen-bonded Turntrans-56.4-20.3177.1-27.135.8000115.2P335P323-P335 HydrophobicContact CG-CG 4.25Å
324T85.7Confident87.1Confident123 Ų12389.5 Ų89.576%0.75543%0.431SS*.THydrogen-bonded Turntrans-105.7-1.4179.751.90000113.7T322T322-T324 PolarHBondContact O-N 2.82Å
325G87.3Confident87.8Confident4 Ų486.3 Ų86.34%0.04142%0.42CS..BIsolated β-bridgetrans-162.499.2-17700000109.8F317 M320 G321 T322F317-G325 CarbonylContact O-C 3.58Å; F317-G325 VanDerWaalsContact O-CA 3.23Å; F317-G325 WeakPolarHBondContact O-CA 3.4Å; F317-G325 VanDerWaalsContact O-O 3.08Å; M320-G325 WeakPolarHBondContact CB-O 3.3Å; G321-G325 PolarHBondContact N-O 2.72Å; T322-G325 PolarHBondContact N-O 3.21Å; T322-G325 CarbonylContact O-C 3.53Å; T322-G325 VanDerWaalsContact O-C 3.3Å; T322-G325 PolarHBondContact O-N 3.04Å; T322-G325 VanDerWaalsContact O-O 3.1Å; T322-G325 PolarHBondContact OG1-N 2.93Å; T322-G325 PolarHBondContact OG1-O 2.78Å
326H90.6Very high88.5Confident38 Ų3880.4 Ų80.418%0.17640%0.402CS..  trans-158.3160.9-175.361.290.6000110.8F317 T322 G328 F329 P335 V336F317-H326 PolarHBondContact O-N 3.36Å; T322-H326 WeakPolarHBondContact O-CB 3.25Å; T322-H326 PolarHBondContact O-CD2 3.02Å; H326-G328 PolarHBondContact ND1-N 3.5Å; H326-G328 PolarHBondContact ND1-O 3.37Å; H326-F329 AromaticContact CE1-CD2 3.77Å; H326-F329 AromaticContact CE1-CE2 3.19Å; H326-F329 WeakPolarHBondContact CE1-CE2 3.47Å; H326-F329 AromaticContact CE1-CZ 3.34Å; H326-F329 WeakPolarHBondContact CE1-CZ 3.34Å; H326-F329 AromaticContact NE2-CE2 3.68Å; H326-F329 AromaticContact NE2-CZ 3.39Å; H326-F329 WeakPolarHBondContact NE2-CZ 3.16Å; H326-P335 HydrophobicContact CB-CB 3.52Å; H326-V336 WeakPolarHBondContact CA-O 3.31Å
327C89.2Confident88.9Confident1 Ų177.1 Ų77.11%0.00739%0.393CS..SBendtrans-99.671.9172.2-174.10000110.4V336 C338 C344 Q347C327-V336 PolarHBondContact N-O 3.25Å; C327-V336 WeakPolarHBondContact O-CB 3.33Å; C327-C338 HydrophobicContact CB-CB 3.7Å; C327-C344 WeakPolarHBondContact CA-SG 3.43Å; C327-C344 HydrophobicContact CB-CB 3.69Å; C327-C344 WeakPolarHBondContact CB-SG 3.35Å; C327-C344 WeakPolarHBondContact SG-CA 3.39Å; C327-C344 WeakPolarHBondContact SG-CB 3.41Å; C327-C344 CovalentContact SG-SG 2.02Å; C327-C344 PolarHBondContact SG-SG 3.34Å; C327-Q347 VanDerWaalsContact O-O 3.12Å
328G90.6Very high89.1Confident2 Ų273.7 Ų73.72%0.02138%0.378CS..  trans75.2-170.4-176.700000114.1H326 V336H326-G328 PolarHBondContact ND1-N 3.5Å; H326-G328 PolarHBondContact ND1-O 3.37Å; G328-V336 PolarHBondContact O-N 3.34Å
329F91.1Very high89.1Confident113 Ų11374.5 Ų74.550%0.49639%0.385SS..BIsolated β-bridgetrans-123.5144.3-179-65.4-84.2000109.9H326 M333 T334 P335H326-F329 AromaticContact CE1-CD2 3.77Å; H326-F329 AromaticContact CE1-CE2 3.19Å; H326-F329 WeakPolarHBondContact CE1-CE2 3.47Å; H326-F329 AromaticContact CE1-CZ 3.34Å; H326-F329 WeakPolarHBondContact CE1-CZ 3.34Å; H326-F329 AromaticContact NE2-CE2 3.68Å; H326-F329 AromaticContact NE2-CZ 3.39Å; H326-F329 WeakPolarHBondContact NE2-CZ 3.16Å; F329-M333 VanDerWaalsContact CD1-O 3.32Å; F329-M333 WeakPolarHBondContact CD1-O 3.26Å; F329-T334 WeakPolarHBondContact CA-O 3.31Å; F329-P335 HydrophobicContact CD1-CB 4.45Å; F329-P335 HydrophobicContact CD1-CG 4.34Å; F329-P335 HydrophobicContact CE1-CB 4.24Å; F329-P335 HydrophobicContact CE1-CG 3.94Å
330D88.4Confident88.8Confident69 Ų6979.4 Ų79.437%0.36940%0.403SS..  trans-76.5-177.8171.571.411.2000111.8W332 M333 T334 V336D330-W332 PolarHBondContact O-N 3.39Å; D330-W332 VanDerWaalsContact OD1-CA 3.3Å; D330-W332 WeakPolarHBondContact OD1-CA 3.43Å; D330-W332 WeakPolarHBondContact OD1-CB 3.25Å; D330-W332 PolarHBondContact OD1-N 2.86Å; D330-M333 PolarHBondContact O-N 3.47Å; D330-M333 PolarHBondContact OD1-N 3.13Å; D330-T334 PolarHBondContact N-O 3.13Å; D330-T334 WeakPolarHBondContact OD1-CB 3.48Å; D330-T334 PolarHBondContact OD1-N 3.06Å; D330-T334 PolarHBondContact OD1-OG1 3.36Å; D330-T334 WeakPolarHBondContact OD2-CB 3.41Å; D330-V336 HydrophobicContact CB-CG2 4.02Å
331R90.3Very high88.4Confident246 Ų24683.2 Ų83.293%0.92842%0.418SS*.THydrogen-bonded Turntrans-61-14.7178.3-66.9-176.5178.9175.3-0.4114.1
332W92.3Very high88.2Confident225 Ų22589.1 Ų89.185%0.85243%0.433SS*.THydrogen-bonded Turntrans-103.710.3-179.3-61.766.8000111.7D330 T334D330-W332 PolarHBondContact O-N 3.39Å; D330-W332 VanDerWaalsContact OD1-CA 3.3Å; D330-W332 WeakPolarHBondContact OD1-CA 3.43Å; D330-W332 WeakPolarHBondContact OD1-CB 3.25Å; D330-W332 PolarHBondContact OD1-N 2.86Å; W332-T334 PolarHBondContact O-N 2.94Å
333M90.1Very high87.8Confident155 Ų15591.1 Ų91.176%0.76444%0.441SS*.  trans60.425.2-173.4-53.3-171-50.500113.9F329 D330F329-M333 VanDerWaalsContact CD1-O 3.32Å; F329-M333 WeakPolarHBondContact CD1-O 3.26Å; D330-M333 PolarHBondContact O-N 3.47Å; D330-M333 PolarHBondContact OD1-N 3.13Å
334T93Very high87.6Confident75 Ų7587.7 Ų87.746%0.4642%0.419SS..PPolyproline II helixtrans-83.4131.8174.4-47.70000109.2F329 D330 W332 V336F329-T334 WeakPolarHBondContact CA-O 3.31Å; D330-T334 PolarHBondContact N-O 3.13Å; D330-T334 WeakPolarHBondContact OD1-CB 3.48Å; D330-T334 PolarHBondContact OD1-N 3.06Å; D330-T334 PolarHBondContact OD1-OG1 3.36Å; D330-T334 WeakPolarHBondContact OD2-CB 3.41Å; W332-T334 PolarHBondContact O-N 2.94Å; T334-V336 PolarHBondContact O-N 3.14Å
335P93.7Very high87.3Confident28 Ų2884.1 Ų84.118%0.18239%0.394CS..BIsolated β-bridgetrans-61.5127176.3-1524.8000111P323 H326 F329P323-P335 HydrophobicContact CG-CG 4.25Å; H326-P335 HydrophobicContact CB-CB 3.52Å; F329-P335 HydrophobicContact CD1-CB 4.45Å; F329-P335 HydrophobicContact CD1-CG 4.34Å; F329-P335 HydrophobicContact CE1-CB 4.24Å; F329-P335 HydrophobicContact CE1-CG 3.94Å
336V92Very high86.9Confident43 Ų4387.8 Ų87.826%0.26142%0.424SS..PPolyproline II helixtrans-87128.1-175.9176.40000110.7H326 C327 G328 D330 T334H326-V336 WeakPolarHBondContact CA-O 3.31Å; C327-V336 PolarHBondContact N-O 3.25Å; C327-V336 WeakPolarHBondContact O-CB 3.33Å; G328-V336 PolarHBondContact O-N 3.34Å; D330-V336 HydrophobicContact CB-CG2 4.02Å; T334-V336 PolarHBondContact O-N 3.14Å
337A89.9Confident86.6Confident42 Ų4292.4 Ų92.435%0.34745%0.446SS..PPolyproline II helixtrans-86.3121.1172.500000110.7T339A337-T339 VanDerWaalsContact C-N 3.31Å; A337-T339 HydrophobicContact CB-CG2 4.06Å; A337-T339 PolarHBondContact O-N 3.23Å; A337-T339 VanDerWaalsContact O-N 3.13Å
338C86.8Confident86.5Confident3 Ų396.6 Ų96.62%0.0247%0.471CS..  trans-89.658.3179.6-135.20000113.8N318 I319 C327 L343 C344 C349N318-C338 VanDerWaalsContact O-CB 3.28Å; N318-C338 WeakPolarHBondContact O-CB 3.43Å; N318-C338 PolarHBondContact O-N 3Å; I319-C338 VanDerWaalsContact CG2-O 3.31Å; I319-C338 WeakPolarHBondContact CG2-O 3.44Å; C327-C338 HydrophobicContact CB-CB 3.7Å; C338-L343 PolarHBondContact SG-O 2.97Å; C338-C344 HydrophobicContact CB-CB 4.43Å; C338-C349 WeakPolarHBondContact CA-SG 3.46Å; C338-C349 HydrophobicContact CB-CB 4.42Å; C338-C349 WeakPolarHBondContact CB-SG 3.48Å; C338-C349 WeakPolarHBondContact SG-CA 3.26Å; C338-C349 WeakPolarHBondContact SG-CB 3.29Å; C338-C349 CovalentContact SG-SG 2.05Å; C338-C349 PolarHBondContact SG-SG 2.78Å
339T81.1Confident86.4Confident62 Ų6297.7 Ų97.738%0.3848%0.478SS..  trans-86.3160-174.760.50000113.2I319 A337I319-T339 WeakPolarHBondContact O-CG2 3.27Å; A337-T339 VanDerWaalsContact C-N 3.31Å; A337-T339 HydrophobicContact CB-CG2 4.06Å; A337-T339 PolarHBondContact O-N 3.23Å; A337-T339 VanDerWaalsContact O-N 3.13Å
340F79Confident86.1Confident187 Ų18793.6 Ų93.682%0.8246%0.462SS*.SBendtrans57.6101.1170.7-62.9-78.5000116.4R342F340-R342 WeakPolarHBondContact O-CG 3.46Å; F340-R342 PolarHBondContact O-N 3Å
341K78Confident85.9Confident153 Ų15391.7 Ų91.767%0.66546%0.455SS*.SBendtrans45.139.9173.7-67.6-170.9170.4-166.30112.9L352K341-L352 HydrophobicContact CB-CB 4.39Å; K341-L352 WeakPolarHBondContact O-CB 3.41Å; K341-L352 PolarHBondContact O-N 3.25Å
342R85.2Confident85.1Confident148 Ų14883.2 Ų83.256%0.55843%0.428SS*.EExtended strand (participates in β ladder)trans-131.9150.3178.3-75.6-179.6176.1-155.4-2.9109.5F340 V350F340-R342 WeakPolarHBondContact O-CG 3.46Å; F340-R342 PolarHBondContact O-N 3Å; R342-V350 CarbonylContact C-O 3.6Å; R342-V350 WeakPolarHBondContact CA-O 3.44Å; R342-V350 WeakPolarHBondContact CB-O 3.38Å
343L81.7Confident84.3Confident91 Ų9176.7 Ų76.748%0.47641%0.409SS..EExtended strand (participates in β ladder)trans-115.4146.6175.1-175.666.2000109.1C338 C349 V350C338-L343 PolarHBondContact SG-O 2.97Å; L343-C349 WeakPolarHBondContact O-CA 3.43Å; L343-V350 HydrophobicContact CB-CG2 4.06Å; L343-V350 PolarHBondContact N-O 2.84Å; L343-V350 WeakPolarHBondContact O-CG2 3.49Å; L343-V350 PolarHBondContact O-N 3.02Å
344C83.5Confident83.4Confident34 Ų3474.1 Ų74.123%0.2340%0.398CS..EExtended strand (participates in β ladder)trans-86.9106.5170.4-170.90000109.9N318 C327 C338N318-C344 HydrophobicContact CB-CB 4.18Å; C327-C344 WeakPolarHBondContact CA-SG 3.43Å; C327-C344 HydrophobicContact CB-CB 3.69Å; C327-C344 WeakPolarHBondContact CB-SG 3.35Å; C327-C344 WeakPolarHBondContact SG-CA 3.39Å; C327-C344 WeakPolarHBondContact SG-CB 3.41Å; C327-C344 CovalentContact SG-SG 2.02Å; C327-C344 PolarHBondContact SG-SG 3.34Å; C338-C344 HydrophobicContact CB-CB 4.43Å
345E79.8Confident82.2Confident47 Ų4772.5 Ų72.522%0.2239%0.389CS..EExtended strand (participates in β ladder)trans-116.4118.5178.6179.4175.1-134.500108.2Q347 V348 V350 R358E345-Q347 VanDerWaalsContact C-N 3.27Å; E345-Q347 PolarHBondContact O-N 2.98Å; E345-Q347 VanDerWaalsContact O-N 3.14Å; E345-V348 PolarHBondContact N-O 3.18Å; E345-V348 WeakPolarHBondContact O-CA 3.32Å; E345-V348 WeakPolarHBondContact O-CB 3.38Å; E345-V348 PolarHBondContact O-N 2.46Å; E345-V348 VanDerWaalsContact O-O 3.09Å; E345-V350 HydrophobicContact CB-CG1 4.21Å; E345-V350 HydrophobicContact CB-CG2 3.78Å; E345-R358 IonicContact OE2-NH1 3.37Å
346A78.1Confident80.8Confident82 Ų8275.8 Ų75.868%0.67840%0.404SS*.THydrogen-bonded Turntrans48.144.1179.800000114.5V348A346-V348 PolarHBondContact O-N 2.7Å
347Q85.3Confident79.3Confident134 Ų13477.5 Ų77.563%0.62642%0.423SS*.THydrogen-bonded Turntrans64.820.4-176.5-57.2-169-31.500115.2C327 E345C327-Q347 VanDerWaalsContact O-O 3.12Å; E345-Q347 VanDerWaalsContact C-N 3.27Å; E345-Q347 PolarHBondContact O-N 2.98Å; E345-Q347 VanDerWaalsContact O-N 3.14Å
348V87Confident77.9Confident89 Ų8982.2 Ų82.254%0.53943%0.432SS..EExtended strand (participates in β ladder)trans-123.9135.5175.3-178.40000109.6E345 A346 V350E345-V348 PolarHBondContact N-O 3.18Å; E345-V348 WeakPolarHBondContact O-CA 3.32Å; E345-V348 WeakPolarHBondContact O-CB 3.38Å; E345-V348 PolarHBondContact O-N 2.46Å; E345-V348 VanDerWaalsContact O-O 3.09Å; A346-V348 PolarHBondContact O-N 2.7Å; V348-V350 HydrophobicContact CG1-CG1 4.49Å; V348-V350 PolarHBondContact O-N 2.76Å
349C88Confident76.5Confident26 Ų2684.3 Ų84.318%0.17645%0.449CS..EExtended strand (participates in β ladder)trans-81.8109.3175.3-74.60000111.6C338 L343C338-C349 WeakPolarHBondContact CA-SG 3.46Å; C338-C349 HydrophobicContact CB-CB 4.42Å; C338-C349 WeakPolarHBondContact CB-SG 3.48Å; C338-C349 WeakPolarHBondContact SG-CA 3.26Å; C338-C349 WeakPolarHBondContact SG-CB 3.29Å; C338-C349 CovalentContact SG-SG 2.05Å; C338-C349 PolarHBondContact SG-SG 2.78Å; L343-C349 WeakPolarHBondContact O-CA 3.43Å
350V85.2Confident75.7Confident26 Ų2684.7 Ų84.716%0.15845%0.449CS..EExtended strand (participates in β ladder)trans-101.2143.8178.8-63.90000110.9R342 L343 E345 V348 L352 V355R342-V350 CarbonylContact C-O 3.6Å; R342-V350 WeakPolarHBondContact CA-O 3.44Å; R342-V350 WeakPolarHBondContact CB-O 3.38Å; L343-V350 HydrophobicContact CB-CG2 4.06Å; L343-V350 PolarHBondContact N-O 2.84Å; L343-V350 WeakPolarHBondContact O-CG2 3.49Å; L343-V350 PolarHBondContact O-N 3.02Å; E345-V350 HydrophobicContact CB-CG1 4.21Å; E345-V350 HydrophobicContact CB-CG2 3.78Å; V348-V350 HydrophobicContact CG1-CG1 4.49Å; V348-V350 PolarHBondContact O-N 2.76Å; V350-L352 PolarHBondContact O-N 2.94Å; V350-V355 HydrophobicContact CB-CG2 4.29Å; V350-V355 HydrophobicContact CG2-CG2 3.59Å
351S83.2Confident75.3Confident30 Ų3076 Ų7621%0.2141%0.411CS..EExtended strand (participates in β ladder)trans-63.7132.4175.8-178.30000109.9D353 D354 V355S351-D353 PolarHBondContact O-N 3.41Å; S351-D353 PolarHBondContact OG-N 3.22Å; S351-D354 VanDerWaalsContact CB-OD2 3.22Å; S351-D354 WeakPolarHBondContact CB-OD2 3.44Å; S351-D354 PolarHBondContact O-N 2.97Å; S351-D354 VanDerWaalsContact O-N 3.07Å; S351-V355 WeakPolarHBondContact O-CG2 3.04Å; S351-V355 PolarHBondContact O-N 2.88Å
352L73.9Confident74.6Confident68 Ų6872 Ų7236%0.35640%0.403SS..Hα-helixtrans-60.7-35.4173.1-176.764.6000110.5K341 V350 D354 V355 L356K341-L352 HydrophobicContact CB-CB 4.39Å; K341-L352 WeakPolarHBondContact O-CB 3.41Å; K341-L352 PolarHBondContact O-N 3.25Å; V350-L352 PolarHBondContact O-N 2.94Å; L352-D354 VanDerWaalsContact C-N 3.29Å; L352-D354 PolarHBondContact O-N 3.43Å; L352-V355 PolarHBondContact O-N 3.27Å; L352-L356 HydrophobicContact CD1-CD1 4.41Å; L352-L356 HydrophobicContact CD1-CG 4.28Å; L352-L356 HydrophobicContact CD2-CD1 4.4Å; L352-L356 HydrophobicContact CG-CD1 3.88Å; L352-L356 HydrophobicContact CG-CG 4.2Å; L352-L356 VanDerWaalsContact O-CB 3.3Å; L352-L356 WeakPolarHBondContact O-CB 3.37Å; L352-L356 WeakPolarHBondContact O-CG 3.37Å; L352-L356 PolarHBondContact O-N 3.48Å
353D75.6Confident73.4Confident88 Ų8867.5 Ų67.547%0.47140%0.397SS..Hα-helixtrans-66-32.1176.7-63.6-33.6000111.4S351 L356 A357S351-D353 PolarHBondContact O-N 3.41Å; S351-D353 PolarHBondContact OG-N 3.22Å; D353-L356 CarbonylContact O-C 3.3Å; D353-A357 WeakPolarHBondContact O-CA 3.34Å; D353-A357 WeakPolarHBondContact O-CB 3.35Å; D353-A357 PolarHBondContact O-N 2.88Å
354D71.5Confident72Confident100 Ų10066.1 Ų66.154%0.53540%0.398SS..Hα-helixtrans-73.3-39.7175.2-64.1-21.6000111.1S351 L352 L356 A357 R358S351-D354 VanDerWaalsContact CB-OD2 3.22Å; S351-D354 WeakPolarHBondContact CB-OD2 3.44Å; S351-D354 PolarHBondContact O-N 2.97Å; S351-D354 VanDerWaalsContact O-N 3.07Å; L352-D354 VanDerWaalsContact C-N 3.29Å; L352-D354 PolarHBondContact O-N 3.43Å; D354-L356 VanDerWaalsContact C-N 3.31Å; D354-A357 PolarHBondContact O-N 2.97Å; D354-R358 WeakPolarHBondContact O-CG 3.42Å; D354-R358 PolarHBondContact O-N 3.01Å; D354-R358 VanDerWaalsContact O-N 3.15Å
355V67.1Low70.7Confident42 Ų4275.1 Ų75.126%0.25543%0.434SS..Hα-helixtrans-63.5-40.2174.1175.80000110.6V350 S351 L352 R358V350-V355 HydrophobicContact CB-CG2 4.29Å; V350-V355 HydrophobicContact CG2-CG2 3.59Å; S351-V355 WeakPolarHBondContact O-CG2 3.04Å; S351-V355 PolarHBondContact O-N 2.88Å; L352-V355 PolarHBondContact O-N 3.27Å; V355-R358 WeakPolarHBondContact O-CB 3.35Å
356L65.8Low69.8Low97 Ų9782.2 Ų82.251%0.50847%0.467SS..Hα-helixtrans-76.1-28.8175.2-67.8174.5000112.6L352 D353 D354 R358 A359L352-L356 HydrophobicContact CD1-CD1 4.41Å; L352-L356 HydrophobicContact CD1-CG 4.28Å; L352-L356 HydrophobicContact CD2-CD1 4.4Å; L352-L356 HydrophobicContact CG-CD1 3.88Å; L352-L356 HydrophobicContact CG-CG 4.2Å; L352-L356 VanDerWaalsContact O-CB 3.3Å; L352-L356 WeakPolarHBondContact O-CB 3.37Å; L352-L356 WeakPolarHBondContact O-CG 3.37Å; L352-L356 PolarHBondContact O-N 3.48Å; D353-L356 CarbonylContact O-C 3.3Å; D354-L356 VanDerWaalsContact C-N 3.31Å; L356-R358 VanDerWaalsContact C-N 3.27Å; L356-R358 PolarHBondContact O-N 3.06Å; L356-A359 VanDerWaalsContact O-CA 3.28Å; L356-A359 WeakPolarHBondContact O-CA 3.38Å; L356-A359 WeakPolarHBondContact O-CB 3.44Å; L356-A359 PolarHBondContact O-N 3.18Å
357A60.2Low69.2Low79 Ų7980.5 Ų80.565%0.65345%0.45SS*.Hα-helixtrans-70.8-24.5175.900000112.1D353 D354 A359D353-A357 WeakPolarHBondContact O-CA 3.34Å; D353-A357 WeakPolarHBondContact O-CB 3.35Å; D353-A357 PolarHBondContact O-N 2.88Å; D354-A357 PolarHBondContact O-N 2.97Å; A357-A359 PolarHBondContact O-N 2.88Å
358R60.3Low69.1Low141 Ų14177.9 Ų77.953%0.53244%0.444SS..THydrogen-bonded Turntrans-62.8-12.2163.1-65.5172.1-176.5141.5-0112.3R273 E345 D354 V355 L356R273-R358 PolarHBondContact NE-O 2.85Å; R273-R358 PolarHBondContact NH2-O 3.38Å; R273-R358 VanDerWaalsContact NH2-O 3.1Å; E345-R358 IonicContact OE2-NH1 3.37Å; D354-R358 WeakPolarHBondContact O-CG 3.42Å; D354-R358 PolarHBondContact O-N 3.01Å; D354-R358 VanDerWaalsContact O-N 3.15Å; V355-R358 WeakPolarHBondContact O-CB 3.35Å; L356-R358 VanDerWaalsContact C-N 3.27Å; L356-R358 PolarHBondContact O-N 3.06Å
359A56.5Low68.9Low46 Ų4676.9 Ų76.938%0.3844%0.438SS..  trans-94.3101.8174.500000111.4L356 A357L356-A359 VanDerWaalsContact O-CA 3.28Å; L356-A359 WeakPolarHBondContact O-CA 3.38Å; L356-A359 WeakPolarHBondContact O-CB 3.44Å; L356-A359 PolarHBondContact O-N 3.18Å; A357-A359 PolarHBondContact O-N 2.88Å
360D64.7Low68.9Low70 Ų7075.7 Ų75.737%0.37443%0.43SS..  -159.787.6130-161.515.3000116.1S362 A363 N380D360-S362 PolarHBondContact O-N 2.76Å; D360-S362 VanDerWaalsContact OD1-C 3.25Å; D360-S362 WeakPolarHBondContact OD1-CA 3.44Å; D360-S362 PolarHBondContact OD1-N 3.46Å; D360-A363 WeakPolarHBondContact OD1-CA 2.94Å; D360-A363 WeakPolarHBondContact OD1-CB 3.22Å; D360-A363 PolarHBondContact OD1-N 2.8Å; D360-N380 PolarHBondContact N-OD1 3.08Å; D360-N380 PolarHBondContact O-ND2 3.08Å; D360-N380 PolarHBondContact O-OD1 3.31Å
361C70.1Confident69.1Low4 Ų475.4 Ų75.43%0.02743%0.43CS..SBendtrans-81.952.3160.9-83.30000110.1A363 V369 C376 N380C361-A363 PolarHBondContact O-N 2.8Å; C361-V369 HydrophobicContact CB-CG1 3.95Å; C361-C376 HydrophobicContact CB-CB 3.48Å; C361-C376 VanDerWaalsContact CB-CB 3.48Å; C361-C376 WeakPolarHBondContact CB-SG 3.44Å; C361-C376 VanDerWaalsContact SG-CA 3.54Å; C361-C376 WeakPolarHBondContact SG-CB 3.44Å; C361-C376 CovalentContact SG-SG 2Å; C361-C376 PolarHBondContact SG-SG 3.45Å; C361-N380 PolarHBondContact N-OD1 2.99Å; C361-N380 VanDerWaalsContact N-OD1 3.1Å
362S64.6Low69.4Low71 Ų7176.2 Ų76.250%0.49744%0.442SS..SBendtrans44.253-171.5-59.30000114.8D360 A364D360-S362 PolarHBondContact O-N 2.76Å; D360-S362 VanDerWaalsContact OD1-C 3.25Å; D360-S362 WeakPolarHBondContact OD1-CA 3.44Å; D360-S362 PolarHBondContact OD1-N 3.46Å; S362-A364 PolarHBondContact O-N 3.37Å
363A58.7Low70.2Confident53 Ų5375.6 Ų75.644%0.43844%0.438SS..  trans-59.974.1153.400000110.9D360 C361D360-A363 WeakPolarHBondContact OD1-CA 2.94Å; D360-A363 WeakPolarHBondContact OD1-CB 3.22Å; D360-A363 PolarHBondContact OD1-N 2.8Å; C361-A363 PolarHBondContact O-N 2.8Å
364A52.2Low70.9Confident61 Ų6172.1 Ų72.150%0.50442%0.423SS..  trans-60.7141154.800000107.8S362 E366 S367S362-A364 PolarHBondContact O-N 3.37Å; A364-E366 PolarHBondContact O-N 2.64Å; A364-S367 PolarHBondContact O-N 2.85Å
365K57.2Low71.8Confident223 Ų22369.2 Ų69.297%0.9741%0.409SS*.THydrogen-bonded Turntrans-48.5-19.5-179-82.7-179.9176176.20115.1
366E60.5Low72.8Confident196 Ų19667.7 Ų67.792%0.91640%0.4SS*.THydrogen-bonded Turntrans-115.7-0.1-177.5-60.1-174.9174.800113.8A364A364-E366 PolarHBondContact O-N 2.64Å
367S66.6Low73.8Confident46 Ų4663 Ų6332%0.32238%0.375SS..SBendtrans-113.4133.3179.8-1710000111.1A364A364-S367 PolarHBondContact O-N 2.85Å
368P81.5Confident74.7Confident79 Ų7961.7 Ų61.751%0.51336%0.357SS..  trans-58.5150.9166.723.6-29.8000110.5C370 S371P368-C370 PolarHBondContact O-N 3.3Å; P368-S371 WeakPolarHBondContact O-CA 3.33Å; P368-S371 PolarHBondContact O-N 3.29Å
369V83.6Confident75.5Confident68 Ų6859.3 Ų59.341%0.41235%0.354SS..G310 helixtrans-53.8133.9175.6176.10000109.4C361 S371 G372 C376C361-V369 HydrophobicContact CB-CG1 3.95Å; V369-S371 PolarHBondContact O-N 3.16Å; V369-S371 VanDerWaalsContact O-N 3.13Å; V369-G372 PolarHBondContact O-N 2.88Å; V369-C376 HydrophobicContact CG1-CB 3.82Å
370C87.2Confident76.6Confident1 Ų160.8 Ų60.81%0.00736%0.356CS..G310 helixtrans49.837.9-175.4-55.10000112.6P368 G372 H373 C382 D392 C393P368-C370 PolarHBondContact O-N 3.3Å; C370-G372 PolarHBondContact O-N 2.9Å; C370-H373 PolarHBondContact O-N 2.89Å; C370-C382 WeakPolarHBondContact CA-SG 3.4Å; C370-C382 HydrophobicContact CB-CB 3.76Å; C370-C382 WeakPolarHBondContact CB-SG 3.46Å; C370-C382 WeakPolarHBondContact SG-CB 3.31Å; C370-C382 CovalentContact SG-SG 2.04Å; C370-C382 PolarHBondContact SG-SG 3.09Å; C370-D392 CarbonylContact C-O 3.53Å; C370-D392 WeakPolarHBondContact CA-O 3.39Å; C370-D392 VanDerWaalsContact O-O 3.11Å; C370-C393 HydrophobicContact CB-CB 4.45Å; C370-C393 WeakPolarHBondContact O-CB 3.46Å
371S89.5Confident77.4Confident21 Ų2161.1 Ų61.115%0.14736%0.36CS..G310 helixtrans54.316.3-176.7-50.70000115P368 V369 H373 D392 S394P368-S371 WeakPolarHBondContact O-CA 3.33Å; P368-S371 PolarHBondContact O-N 3.29Å; V369-S371 PolarHBondContact O-N 3.16Å; V369-S371 VanDerWaalsContact O-N 3.13Å; S371-H373 VanDerWaalsContact C-N 3.29Å; S371-H373 PolarHBondContact O-CE1 3.43Å; S371-H373 PolarHBondContact O-ND1 3.18Å; S371-H373 VanDerWaalsContact O-ND1 3.16Å; S371-D392 VanDerWaalsContact CB-O 3.29Å; S371-D392 WeakPolarHBondContact CB-O 3.38Å; S371-D392 PolarHBondContact N-O 2.87Å; S371-D392 PolarHBondContact OG-O 3.44Å; S371-S394 WeakPolarHBondContact OG-CB 3.25Å
372G89.2Confident78.2Confident46 Ų4661.6 Ų61.647%0.47436%0.364SS..G310 helixtrans76.112.2-174.800000114.6V369 C370V369-G372 PolarHBondContact O-N 2.88Å; C370-G372 PolarHBondContact O-N 2.9Å
373H91.6Very high79.3Confident55 Ų5560.7 Ų60.726%0.25536%0.355SS..SBendtrans-12936.3-177.7-47.4116.1000112.2C370 S371 C384 D385 W388 C393C370-H373 PolarHBondContact O-N 2.89Å; S371-H373 VanDerWaalsContact C-N 3.29Å; S371-H373 PolarHBondContact O-CE1 3.43Å; S371-H373 PolarHBondContact O-ND1 3.18Å; S371-H373 VanDerWaalsContact O-ND1 3.16Å; H373-C384 WeakPolarHBondContact O-CA 3.14Å; H373-D385 VanDerWaalsContact C-CG 3.46Å; H373-D385 VanDerWaalsContact CA-OD2 3.27Å; H373-D385 WeakPolarHBondContact CA-OD2 3.33Å; H373-D385 PolarHBondContact O-N 3.13Å; H373-W388 HydrophobicContact CB-CB 4.02Å; H373-W388 HydrophobicContact CB-CD2 3.52Å; H373-W388 HydrophobicContact CB-CE3 4.08Å; H373-W388 HydrophobicContact CB-CG 3.48Å; H373-W388 VanDerWaalsContact CB-CG 3.48Å; H373-W388 HydrophobicContact CB-CZ2 4.44Å; H373-W388 AromaticContact CD2-CE2 3.37Å; H373-W388 AromaticContact CD2-CH2 3.89Å; H373-W388 AromaticContact CD2-CZ2 3.29Å; H373-W388 WeakPolarHBondContact CD2-CZ2 3.48Å; H373-W388 AromaticContact CD2-NE1 3.66Å; H373-W388 AromaticContact CE1-CE2 3.97Å; H373-W388 AromaticContact CE1-CH2 3.1Å; H373-W388 WeakPolarHBondContact CE1-CH2 2.95Å; H373-W388 AromaticContact CE1-CZ2 3.37Å; H373-W388 WeakPolarHBondContact CE1-CZ2 3.07Å; H373-W388 AromaticContact CE1-CZ3 3.5Å; H373-W388 VanDerWaalsContact CE1-CZ3 3.5Å; H373-W388 WeakPolarHBondContact CE1-CZ3 3.39Å; H373-W388 AromaticContact CG-CD2 3.45Å; H373-W388 VanDerWaalsContact CG-CD2 3.45Å; H373-W388 AromaticContact CG-CE2 3.3Å; H373-W388 AromaticContact CG-CE3 3.78Å; H373-W388 AromaticContact CG-CG 3.96Å; H373-W388 AromaticContact CG-CH2 3.87Å; H373-W388 AromaticContact CG-CZ2 3.53Å; H373-W388 AromaticContact CG-CZ3 3.98Å; H373-W388 AromaticContact CG-NE1 3.72Å; H373-W388 AromaticContact ND1-CD2 3.65Å; H373-W388 AromaticContact ND1-CE2 3.69Å; H373-W388 AromaticContact ND1-CE3 3.46Å; H373-W388 AromaticContact ND1-CH2 3.38Å; H373-W388 WeakPolarHBondContact ND1-CH2 3.46Å; H373-W388 AromaticContact ND1-CZ2 3.57Å; H373-W388 AromaticContact ND1-CZ3 3.32Å; H373-W388 VanDerWaalsContact ND1-CZ3 3.32Å; H373-W388 WeakPolarHBondContact ND1-CZ3 3.44Å; H373-W388 AromaticContact NE2-CE2 3.78Å; H373-W388 AromaticContact NE2-CH2 3.4Å; H373-W388 WeakPolarHBondContact NE2-CH2 3.44Å; H373-W388 AromaticContact NE2-CZ2 3.17Å; H373-W388 WeakPolarHBondContact NE2-CZ2 3.1Å; H373-C393 HydrophobicContact CB-CB 4.16Å; H373-C393 PolarHBondContact ND1-O 3.44Å; H373-C393 VanDerWaalsContact O-CB 3.26Å; H373-C393 WeakPolarHBondContact O-CB 3.37Å
374G89.9Confident80.7Confident16 Ų1659.9 Ų59.917%0.16535%0.346CS..EExtended strand (participates in β ladder)trans179.1175.9177.900000112.8V383 D385G374-V383 CarbonylContact C-O 3.57Å; G374-V383 WeakPolarHBondContact CA-O 3.28Å; G374-D385 PolarHBondContact N-OD2 2.9Å
375V90.4Very high82.5Confident39 Ų3960.6 Ų60.624%0.23634%0.341CS..EExtended strand (participates in β ladder)trans-117135.1-178.3-176.10000109.6F253 K272 C382 V383F253-V375 HydrophobicContact CZ-CB 3.94Å; F253-V375 HydrophobicContact CZ-CG1 3.83Å; K272-V375 HydrophobicContact CB-CG1 4.32Å; K272-V375 HydrophobicContact CD-CG1 3.87Å; K272-V375 HydrophobicContact CG-CG1 3.77Å; V375-C382 WeakPolarHBondContact O-CA 3.26Å; V375-V383 PolarHBondContact N-O 3.29Å; V375-V383 PolarHBondContact O-N 3.47Å
376C88.2Confident83.8Confident9 Ų958 Ų586%0.06134%0.337CS..EExtended strand (participates in β ladder)trans-83.7133.6178.1178.60000111.7R273 C361 V369R273-C376 WeakPolarHBondContact CB-O 3.39Å; R273-C376 PolarHBondContact N-O 3.44Å; R273-C376 PolarHBondContact NE-SG 3.03Å; R273-C376 VanDerWaalsContact NE-SG 3.39Å; R273-C376 PolarHBondContact NH2-SG 2.88Å; C361-C376 HydrophobicContact CB-CB 3.48Å; C361-C376 VanDerWaalsContact CB-CB 3.48Å; C361-C376 WeakPolarHBondContact CB-SG 3.44Å; C361-C376 VanDerWaalsContact SG-CA 3.54Å; C361-C376 WeakPolarHBondContact SG-CB 3.44Å; C361-C376 CovalentContact SG-SG 2Å; C361-C376 PolarHBondContact SG-SG 3.45Å; V369-C376 HydrophobicContact CG1-CB 3.82Å
377T86.4Confident85Confident0 Ų049.8 Ų49.80%031%0.306CS..BIsolated β-bridgetrans-94.2169.8-179.569.90000113.6F253 L270 Y271 L379 N380 V381 V383F253-T377 HydrophobicContact CD2-CG2 4.22Å; F253-T377 HydrophobicContact CE2-CG2 3.79Å; L270-T377 HydrophobicContact CB-CG2 4.24Å; L270-T377 HydrophobicContact CD1-CG2 4.41Å; L270-T377 HydrophobicContact CD2-CG2 4.24Å; Y271-T377 CarbonylContact O-C 3.52Å; Y271-T377 WeakPolarHBondContact O-CA 3.37Å; Y271-T377 WeakPolarHBondContact O-CB 3.47Å; T377-L379 PolarHBondContact O-N 3.32Å; T377-L379 PolarHBondContact OG1-N 2.98Å; T377-N380 PolarHBondContact O-N 2.83Å; T377-N380 VanDerWaalsContact O-N 3.12Å; T377-V381 WeakPolarHBondContact CG2-O 3.44Å; T377-V381 PolarHBondContact N-O 3.28Å; T377-V381 PolarHBondContact OG1-N 2.96Å; T377-V381 PolarHBondContact OG1-O 3.14Å; T377-V381 VanDerWaalsContact OG1-O 3.1Å; T377-V383 HydrophobicContact CG2-CG2 3.63Å
378N79.9Confident86.1Confident50 Ų5050.3 Ų50.327%0.26730%0.301SS..THydrogen-bonded Turntrans-51.9-35166.662.3-40.2000114D269 Y271 N380D269-N378 PolarHBondContact O-ND2 3.03Å; D269-N378 PolarHBondContact O-OD1 3.49Å; Y271-N378 HydrophobicContact CD1-CB 4.3Å; Y271-N378 HydrophobicContact CD2-CB 3.77Å; Y271-N378 HydrophobicContact CE1-CB 3.98Å; Y271-N378 WeakPolarHBondContact CE1-ND2 3.34Å; Y271-N378 HydrophobicContact CE2-CB 3.4Å; Y271-N378 VanDerWaalsContact CE2-CB 3.4Å; Y271-N378 HydrophobicContact CG-CB 4.2Å; Y271-N378 PolarHBondContact N-OD1 3.4Å; Y271-N378 VanDerWaalsContact N-OD1 3.17Å; Y271-N378 PolarHBondContact O-N 3.41Å; Y271-N378 PolarHBondContact O-OD1 3.08Å; N378-N380 VanDerWaalsContact C-N 3.26Å; N378-N380 PolarHBondContact O-N 3.04Å
379L77.7Confident86.1Confident91 Ų9149.4 Ų49.448%0.47629%0.294SS..THydrogen-bonded Turntrans-87.311.7178.6-60.3-172.9000113.9A268 L270 T377 V381A268-L379 HydrophobicContact CB-CD1 3.44Å; A268-L379 VanDerWaalsContact CB-CD1 3.44Å; L270-L379 HydrophobicContact CD2-CB 4Å; L270-L379 HydrophobicContact CD2-CD1 3.68Å; L270-L379 HydrophobicContact CD2-CG 3.88Å; T377-L379 PolarHBondContact O-N 3.32Å; T377-L379 PolarHBondContact OG1-N 2.98Å; L379-V381 VanDerWaalsContact C-N 3.28Å; L379-V381 HydrophobicContact CB-CG2 4.46Å; L379-V381 PolarHBondContact O-N 2.9Å
380N79.4Confident86Confident78 Ų7848.2 Ų48.242%0.41729%0.288SS..SBendtrans62.135179.3-158.150.2000113.7R273 D360 C361 T377 N378R273-N380 PolarHBondContact NH2-OD1 2.87Å; D360-N380 PolarHBondContact N-OD1 3.08Å; D360-N380 PolarHBondContact O-ND2 3.08Å; D360-N380 PolarHBondContact O-OD1 3.31Å; C361-N380 PolarHBondContact N-OD1 2.99Å; C361-N380 VanDerWaalsContact N-OD1 3.1Å; T377-N380 PolarHBondContact O-N 2.83Å; T377-N380 VanDerWaalsContact O-N 3.12Å; N378-N380 VanDerWaalsContact C-N 3.26Å; N378-N380 PolarHBondContact O-N 3.04Å
381V81.1Confident85.7Confident76 Ų7659.4 Ų59.446%0.46133%0.331SS..  trans-111.7143175.5179.70000108.4T377 L379T377-V381 WeakPolarHBondContact CG2-O 3.44Å; T377-V381 PolarHBondContact N-O 3.28Å; T377-V381 PolarHBondContact OG1-N 2.96Å; T377-V381 PolarHBondContact OG1-O 3.14Å; T377-V381 VanDerWaalsContact OG1-O 3.1Å; L379-V381 VanDerWaalsContact C-N 3.28Å; L379-V381 HydrophobicContact CB-CG2 4.46Å; L379-V381 PolarHBondContact O-N 2.9Å
382C86.8Confident85.4Confident15 Ų1560.7 Ų60.710%0.10134%0.336CS..EExtended strand (participates in β ladder)trans-88.5127171.9-70.10000110.7C370 V375 R391 C393C370-C382 WeakPolarHBondContact CA-SG 3.4Å; C370-C382 HydrophobicContact CB-CB 3.76Å; C370-C382 WeakPolarHBondContact CB-SG 3.46Å; C370-C382 WeakPolarHBondContact SG-CB 3.31Å; C370-C382 CovalentContact SG-SG 2.04Å; C370-C382 PolarHBondContact SG-SG 3.09Å; V375-C382 WeakPolarHBondContact O-CA 3.26Å; C382-R391 WeakPolarHBondContact CB-O 2.87Å; C382-C393 VanDerWaalsContact CB-SG 3.59Å
383V88.1Confident85.4Confident51 Ų5158.5 Ų58.531%0.30931%0.313SS..EExtended strand (participates in β ladder)trans-92.1113.7164.2178.50000106.9F253 G374 V375 T377F253-V383 HydrophobicContact CD1-CG1 4.44Å; F253-V383 HydrophobicContact CE1-CB 4.24Å; F253-V383 HydrophobicContact CE1-CG1 4.14Å; F253-V383 HydrophobicContact CE1-CG2 4.38Å; F253-V383 HydrophobicContact CE2-CG2 4.35Å; F253-V383 HydrophobicContact CZ-CB 4.26Å; F253-V383 HydrophobicContact CZ-CG2 4.24Å; G374-V383 CarbonylContact C-O 3.57Å; G374-V383 WeakPolarHBondContact CA-O 3.28Å; V375-V383 PolarHBondContact N-O 3.29Å; V375-V383 PolarHBondContact O-N 3.47Å; T377-V383 HydrophobicContact CG2-CG2 3.63Å
384C87.3Confident85.2Confident36 Ų3658.4 Ų58.424%0.24332%0.319CS..EExtended strand (participates in β ladder)trans-81.9147-173.3-56.90000112.5H373 W388 C393H373-C384 WeakPolarHBondContact O-CA 3.14Å; C384-W388 HydrophobicContact CB-CB 4.06Å; C384-W388 VanDerWaalsContact CB-O 3.31Å; C384-W388 WeakPolarHBondContact CB-O 3.42Å; C384-C393 WeakPolarHBondContact CA-SG 2.86Å; C384-C393 HydrophobicContact CB-CB 3.76Å; C384-C393 WeakPolarHBondContact CB-SG 2.91Å; C384-C393 WeakPolarHBondContact SG-CA 3.45Å; C384-C393 WeakPolarHBondContact SG-CB 3.33Å; C384-C393 CovalentContact SG-SG 2.04Å; C384-C393 PolarHBondContact SG-SG 2.99Å
385D91.4Very high85.2Confident77 Ų7765.8 Ų65.841%0.41234%0.342SS..PPolyproline II helixtrans-66.1156.3170.9-58.3-28.8000110.3H373 G374 G387 W388H373-D385 VanDerWaalsContact C-CG 3.46Å; H373-D385 VanDerWaalsContact CA-OD2 3.27Å; H373-D385 WeakPolarHBondContact CA-OD2 3.33Å; H373-D385 PolarHBondContact O-N 3.13Å; G374-D385 PolarHBondContact N-OD2 2.9Å; D385-G387 PolarHBondContact O-N 3.1Å; D385-W388 WeakPolarHBondContact O-CB 3.46Å; D385-W388 PolarHBondContact O-N 3.04Å
386D84.2Confident85Confident167 Ų16770.8 Ų70.889%0.89336%0.36SS*.THydrogen-bonded Turntrans-51.9128.7179.6-72.3-23.3000111.9
387G85.9Confident84.7Confident24 Ų2471.4 Ų71.425%0.24736%0.363CS..THydrogen-bonded Turntrans85.54.6-176.700000115.1D385 K396 V397D385-G387 PolarHBondContact O-N 3.1Å; G387-K396 CarbonylContact O-C 3.35Å; G387-K396 VanDerWaalsContact O-CA 3.29Å; G387-K396 WeakPolarHBondContact O-CA 3.36Å; G387-V397 PolarHBondContact O-N 3.1Å
388W88.5Confident84.2Confident58 Ų5875.2 Ų75.222%0.2239%0.387CS..EExtended strand (participates in β ladder)trans-118.8152.2174.1-6391.7000112.8H373 C384 D385 C393 R395 K396H373-W388 HydrophobicContact CB-CB 4.02Å; H373-W388 HydrophobicContact CB-CD2 3.52Å; H373-W388 HydrophobicContact CB-CE3 4.08Å; H373-W388 HydrophobicContact CB-CG 3.48Å; H373-W388 VanDerWaalsContact CB-CG 3.48Å; H373-W388 HydrophobicContact CB-CZ2 4.44Å; H373-W388 AromaticContact CD2-CE2 3.37Å; H373-W388 AromaticContact CD2-CH2 3.89Å; H373-W388 AromaticContact CD2-CZ2 3.29Å; H373-W388 WeakPolarHBondContact CD2-CZ2 3.48Å; H373-W388 AromaticContact CD2-NE1 3.66Å; H373-W388 AromaticContact CE1-CE2 3.97Å; H373-W388 AromaticContact CE1-CH2 3.1Å; H373-W388 WeakPolarHBondContact CE1-CH2 2.95Å; H373-W388 AromaticContact CE1-CZ2 3.37Å; H373-W388 WeakPolarHBondContact CE1-CZ2 3.07Å; H373-W388 AromaticContact CE1-CZ3 3.5Å; H373-W388 VanDerWaalsContact CE1-CZ3 3.5Å; H373-W388 WeakPolarHBondContact CE1-CZ3 3.39Å; H373-W388 AromaticContact CG-CD2 3.45Å; H373-W388 VanDerWaalsContact CG-CD2 3.45Å; H373-W388 AromaticContact CG-CE2 3.3Å; H373-W388 AromaticContact CG-CE3 3.78Å; H373-W388 AromaticContact CG-CG 3.96Å; H373-W388 AromaticContact CG-CH2 3.87Å; H373-W388 AromaticContact CG-CZ2 3.53Å; H373-W388 AromaticContact CG-CZ3 3.98Å; H373-W388 AromaticContact CG-NE1 3.72Å; H373-W388 AromaticContact ND1-CD2 3.65Å; H373-W388 AromaticContact ND1-CE2 3.69Å; H373-W388 AromaticContact ND1-CE3 3.46Å; H373-W388 AromaticContact ND1-CH2 3.38Å; H373-W388 WeakPolarHBondContact ND1-CH2 3.46Å; H373-W388 AromaticContact ND1-CZ2 3.57Å; H373-W388 AromaticContact ND1-CZ3 3.32Å; H373-W388 VanDerWaalsContact ND1-CZ3 3.32Å; H373-W388 WeakPolarHBondContact ND1-CZ3 3.44Å; H373-W388 AromaticContact NE2-CE2 3.78Å; H373-W388 AromaticContact NE2-CH2 3.4Å; H373-W388 WeakPolarHBondContact NE2-CH2 3.44Å; H373-W388 AromaticContact NE2-CZ2 3.17Å; H373-W388 WeakPolarHBondContact NE2-CZ2 3.1Å; C384-W388 HydrophobicContact CB-CB 4.06Å; C384-W388 VanDerWaalsContact CB-O 3.31Å; C384-W388 WeakPolarHBondContact CB-O 3.42Å; D385-W388 WeakPolarHBondContact O-CB 3.46Å; D385-W388 PolarHBondContact O-N 3.04Å; W388-C393 HydrophobicContact CB-CB 4.34Å; W388-R395 CarbonylContact C-O 3.39Å; W388-R395 WeakPolarHBondContact CA-O 3.21Å; W388-K396 HydrophobicContact CD2-CG 3.93Å; W388-K396 HydrophobicContact CE3-CG 3.71Å; W388-K396 HydrophobicContact CH2-CD 4.11Å; W388-K396 VanDerWaalsContact CH2-CE 3.4Å; W388-K396 HydrophobicContact CH2-CG 3.56Å; W388-K396 HydrophobicContact CZ2-CD 4.11Å; W388-K396 HydrophobicContact CZ2-CG 3.77Å; W388-K396 HydrophobicContact CZ3-CG 3.53Å
389T82.2Confident83.5Confident60 Ų6078.8 Ų78.837%0.36841%0.406SS..EExtended strand (participates in β ladder)trans-155.7-175.1-177.9-167.20000110C393 S394 R395 V397T389-C393 CarbonylContact O-C 3.1Å; T389-C393 WeakPolarHBondContact O-CA 3.45Å; T389-S394 PolarHBondContact O-N 2.68Å; T389-R395 HydrophobicContact CG2-CB 4Å; T389-R395 PolarHBondContact N-O 3.18Å; T389-R395 PolarHBondContact O-N 3.28Å; T389-V397 HydrophobicContact CG2-CG2 3.94Å
390S81.2Confident82.8Confident42 Ų4278.2 Ų78.229%0.29441%0.409SS..SBendtrans85.7159.8-161.3-172.90000112.5D392 C393S390-D392 VanDerWaalsContact CB-OD1 3.24Å; S390-D392 WeakPolarHBondContact CB-OD1 3.32Å; S390-D392 PolarHBondContact O-N 3.46Å; S390-D392 VanDerWaalsContact O-N 3.11Å; S390-D392 PolarHBondContact OG-OD1 3.28Å; S390-C393 PolarHBondContact O-N 3.29Å; S390-C393 VanDerWaalsContact O-N 3.15Å
391R80Confident81.8Confident237 Ų23778 Ų7889%0.89441%0.408SS*.THydrogen-bonded Turntrans-57.9-23.8177.2-70.7-169.3-70.6-162.5-1.9113.5C382C382-R391 WeakPolarHBondContact CB-O 2.87Å
392D83.3Confident80.7Confident48 Ų4878.7 Ų78.726%0.25741%0.407SS..THydrogen-bonded Turntrans-119.912.3-17765-16.6000112.5C370 S371 S390 S394C370-D392 CarbonylContact C-O 3.53Å; C370-D392 WeakPolarHBondContact CA-O 3.39Å; C370-D392 VanDerWaalsContact O-O 3.11Å; S371-D392 VanDerWaalsContact CB-O 3.29Å; S371-D392 WeakPolarHBondContact CB-O 3.38Å; S371-D392 PolarHBondContact N-O 2.87Å; S371-D392 PolarHBondContact OG-O 3.44Å; S390-D392 VanDerWaalsContact CB-OD1 3.24Å; S390-D392 WeakPolarHBondContact CB-OD1 3.32Å; S390-D392 PolarHBondContact O-N 3.46Å; S390-D392 VanDerWaalsContact O-N 3.11Å; S390-D392 PolarHBondContact OG-OD1 3.28Å; D392-S394 PolarHBondContact O-N 2.99Å; D392-S394 VanDerWaalsContact O-N 3.1Å; D392-S394 WeakPolarHBondContact OD1-CB 3.43Å; D392-S394 PolarHBondContact OD1-N 3.02Å; D392-S394 PolarHBondContact OD1-OG 3.04Å; D392-S394 PolarHBondContact OD2-OG 3.26Å
393C89.2Confident79.2Confident0 Ų084 Ų840%043%0.43CS..SBendtrans55.626.5-178.8-46.80000115C370 H373 C382 C384 W388 T389 S390C370-C393 HydrophobicContact CB-CB 4.45Å; C370-C393 WeakPolarHBondContact O-CB 3.46Å; H373-C393 HydrophobicContact CB-CB 4.16Å; H373-C393 PolarHBondContact ND1-O 3.44Å; H373-C393 VanDerWaalsContact O-CB 3.26Å; H373-C393 WeakPolarHBondContact O-CB 3.37Å; C382-C393 VanDerWaalsContact CB-SG 3.59Å; C384-C393 WeakPolarHBondContact CA-SG 2.86Å; C384-C393 HydrophobicContact CB-CB 3.76Å; C384-C393 WeakPolarHBondContact CB-SG 2.91Å; C384-C393 WeakPolarHBondContact SG-CA 3.45Å; C384-C393 WeakPolarHBondContact SG-CB 3.33Å; C384-C393 CovalentContact SG-SG 2.04Å; C384-C393 PolarHBondContact SG-SG 2.99Å; W388-C393 HydrophobicContact CB-CB 4.34Å; T389-C393 CarbonylContact O-C 3.1Å; T389-C393 WeakPolarHBondContact O-CA 3.45Å; S390-C393 PolarHBondContact O-N 3.29Å; S390-C393 VanDerWaalsContact O-N 3.15Å
394S89.2Confident77.9Confident53 Ų5383.7 Ų83.737%0.37143%0.434SS..  trans-78.8-14.8-179.157.60000114.5S371 T389 D392S371-S394 WeakPolarHBondContact OG-CB 3.25Å; T389-S394 PolarHBondContact O-N 2.68Å; D392-S394 PolarHBondContact O-N 2.99Å; D392-S394 VanDerWaalsContact O-N 3.1Å; D392-S394 WeakPolarHBondContact OD1-CB 3.43Å; D392-S394 PolarHBondContact OD1-N 3.02Å; D392-S394 PolarHBondContact OD1-OG 3.04Å; D392-S394 PolarHBondContact OD2-OG 3.26Å
395R88.3Confident76.5Confident171 Ų17185.5 Ų85.565%0.64544%0.44SS*.EExtended strand (participates in β ladder)trans-109.5128.9-173.4-63.2-177.4-178.7-171.8-1.2110.5W388 T389W388-R395 CarbonylContact C-O 3.39Å; W388-R395 WeakPolarHBondContact CA-O 3.21Å; T389-R395 HydrophobicContact CG2-CB 4Å; T389-R395 PolarHBondContact N-O 3.18Å; T389-R395 PolarHBondContact O-N 3.28Å
396K87.7Confident74.9Confident143 Ų14385.7 Ų85.762%0.62244%0.441SS*.EExtended strand (participates in β ladder)trans-72136.3166.8-74.1-167.1173.5-173.60110.3G387 W388 T398G387-K396 CarbonylContact O-C 3.35Å; G387-K396 VanDerWaalsContact O-CA 3.29Å; G387-K396 WeakPolarHBondContact O-CA 3.36Å; W388-K396 HydrophobicContact CD2-CG 3.93Å; W388-K396 HydrophobicContact CE3-CG 3.71Å; W388-K396 HydrophobicContact CH2-CD 4.11Å; W388-K396 VanDerWaalsContact CH2-CE 3.4Å; W388-K396 HydrophobicContact CH2-CG 3.56Å; W388-K396 HydrophobicContact CZ2-CD 4.11Å; W388-K396 HydrophobicContact CZ2-CG 3.77Å; W388-K396 HydrophobicContact CZ3-CG 3.53Å; K396-T398 PolarHBondContact O-N 3.34Å
397V80.9Confident73.6Confident22 Ų2284.2 Ų84.213%0.13343%0.429CS..PPolyproline II helixtrans-64.4117.5166.4-179.10000107.1G387 T389 L401 M402 I405G387-V397 PolarHBondContact O-N 3.1Å; T389-V397 HydrophobicContact CG2-CG2 3.94Å; V397-L401 HydrophobicContact CG1-CB 4.08Å; V397-L401 HydrophobicContact CG1-CD2 4.16Å; V397-L401 HydrophobicContact CG1-CG 4.27Å; V397-M402 HydrophobicContact CG1-CB 3.99Å; V397-M402 HydrophobicContact CG1-CE 4.26Å; V397-M402 HydrophobicContact CG1-SD 3.96Å; V397-I405 HydrophobicContact CG1-CD1 4.48Å
398T76.4Confident72.3Confident80 Ų8091.5 Ų91.549%0.49145%0.449SS..PPolyproline II helixtrans-74.7153175.455.40000109.7K396 S400 L401 M402K396-T398 PolarHBondContact O-N 3.34Å; T398-S400 PolarHBondContact O-N 3.43Å; T398-S400 VanDerWaalsContact O-N 3.14Å; T398-S400 PolarHBondContact OG1-OG 2.99Å; T398-S400 VanDerWaalsContact OG1-OG 3.06Å; T398-L401 CarbonylContact O-C 3.42Å; T398-L401 WeakPolarHBondContact O-CA 3.42Å; T398-L401 WeakPolarHBondContact O-CB 3.4Å; T398-L401 PolarHBondContact O-N 3.02Å; T398-M402 PolarHBondContact O-N 3.42Å
399N64.8Low70.5Confident125 Ų12590.9 Ų90.967%0.66845%0.45SS*.Hα-helixtrans-51-40.8177.5-69.51.1000112.2L401 M402 E403N399-L401 VanDerWaalsContact C-N 3.27Å; N399-L401 PolarHBondContact O-N 3.2Å; N399-M402 PolarHBondContact O-N 2.83Å; N399-E403 VanDerWaalsContact O-CB 3.32Å; N399-E403 WeakPolarHBondContact O-CB 3.41Å; N399-E403 VanDerWaalsContact O-CG 3.27Å; N399-E403 WeakPolarHBondContact O-CG 3.41Å; N399-E403 PolarHBondContact O-N 3.42Å
400S63.5Low69.1Low79 Ų7992 Ų9255%0.55245%0.454SS*.Hα-helixtrans-61.5-33.3176.465.10000113.6T398 A404T398-S400 PolarHBondContact O-N 3.43Å; T398-S400 VanDerWaalsContact O-N 3.14Å; T398-S400 PolarHBondContact OG1-OG 2.99Å; T398-S400 VanDerWaalsContact OG1-OG 3.06Å; S400-A404 VanDerWaalsContact O-CB 3.28Å; S400-A404 WeakPolarHBondContact O-CB 3.37Å; S400-A404 PolarHBondContact O-N 3.33Å
401L57.7Low67.7Low75 Ų7594 Ų9439%0.39346%0.464SS..Hα-helixtrans-80.2-38177.1-17070.6000110.4V397 T398 N399 A404 I405V397-L401 HydrophobicContact CG1-CB 4.08Å; V397-L401 HydrophobicContact CG1-CD2 4.16Å; V397-L401 HydrophobicContact CG1-CG 4.27Å; T398-L401 CarbonylContact O-C 3.42Å; T398-L401 WeakPolarHBondContact O-CA 3.42Å; T398-L401 WeakPolarHBondContact O-CB 3.4Å; T398-L401 PolarHBondContact O-N 3.02Å; N399-L401 VanDerWaalsContact C-N 3.27Å; N399-L401 PolarHBondContact O-N 3.2Å; L401-A404 PolarHBondContact O-N 2.7Å; L401-I405 HydrophobicContact CD2-CD1 4.49Å; L401-I405 HydrophobicContact CG-CD1 4.01Å; L401-I405 WeakPolarHBondContact O-CB 3.37Å; L401-I405 WeakPolarHBondContact O-CG1 3.43Å; L401-I405 PolarHBondContact O-N 3.14Å
402M57.5Low66.2Low89 Ų8986.1 Ų86.144%0.43844%0.44SS..Hα-helixtrans-61.2-48.6173.1-161.290.878.800110.1V397 T398 N399 A404 I405 D406V397-M402 HydrophobicContact CG1-CB 3.99Å; V397-M402 HydrophobicContact CG1-CE 4.26Å; V397-M402 HydrophobicContact CG1-SD 3.96Å; T398-M402 PolarHBondContact O-N 3.42Å; N399-M402 PolarHBondContact O-N 2.83Å; M402-A404 VanDerWaalsContact C-N 3.32Å; M402-A404 PolarHBondContact O-N 3.06Å; M402-I405 PolarHBondContact O-N 3.05Å; M402-I405 VanDerWaalsContact O-N 3.15Å; M402-D406 WeakPolarHBondContact O-CB 3.31Å; M402-D406 PolarHBondContact O-N 3.26Å
403E57Low64.5Low126 Ų12689.4 Ų89.459%0.58945%0.453SS*.Hα-helixtrans-58.1-42.6173.9-74.6168.2-177.200111.1N399 D406 E407N399-E403 VanDerWaalsContact O-CB 3.32Å; N399-E403 WeakPolarHBondContact O-CB 3.41Å; N399-E403 VanDerWaalsContact O-CG 3.27Å; N399-E403 WeakPolarHBondContact O-CG 3.41Å; N399-E403 PolarHBondContact O-N 3.42Å; E403-D406 PolarHBondContact O-N 3.1Å; E403-E407 WeakPolarHBondContact O-CB 3.26Å; E403-E407 PolarHBondContact O-N 2.89Å
404A59.2Low62.2Low46 Ų4692.7 Ų92.738%0.3848%0.48SS..Hα-helixtrans-68.5-33.7176.100000113.2S400 L401 M402 R408S400-A404 VanDerWaalsContact O-CB 3.28Å; S400-A404 WeakPolarHBondContact O-CB 3.37Å; S400-A404 PolarHBondContact O-N 3.33Å; L401-A404 PolarHBondContact O-N 2.7Å; M402-A404 VanDerWaalsContact C-N 3.32Å; M402-A404 PolarHBondContact O-N 3.06Å; A404-R408 WeakPolarHBondContact O-CB 3.49Å; A404-R408 PolarHBondContact O-N 3.03Å
405I57.6Low59.9Low73 Ų7395.7 Ų95.737%0.37449%0.491SS..Hα-helixtrans-73.6-42.2175.7-70.4165000110.1V397 L401 M402 R408 N409V397-I405 HydrophobicContact CG1-CD1 4.48Å; L401-I405 HydrophobicContact CD2-CD1 4.49Å; L401-I405 HydrophobicContact CG-CD1 4.01Å; L401-I405 WeakPolarHBondContact O-CB 3.37Å; L401-I405 WeakPolarHBondContact O-CG1 3.43Å; L401-I405 PolarHBondContact O-N 3.14Å; M402-I405 PolarHBondContact O-N 3.05Å; M402-I405 VanDerWaalsContact O-N 3.15Å; I405-R408 PolarHBondContact O-N 3.23Å; I405-N409 WeakPolarHBondContact CG2-ND2 3.36Å; I405-N409 VanDerWaalsContact O-CB 3.28Å; I405-N409 WeakPolarHBondContact O-CB 3.32Å; I405-N409 PolarHBondContact O-N 2.91Å; I405-N409 PolarHBondContact O-ND2 3.25Å
406D58Low57.6Low82 Ų8291.9 Ų91.944%0.43949%0.488SS..Hα-helixtrans-68.2-42.3176-11818.9000110.6M402 E403 R408 N409 N410M402-D406 WeakPolarHBondContact O-CB 3.31Å; M402-D406 PolarHBondContact O-N 3.26Å; E403-D406 PolarHBondContact O-N 3.1Å; D406-R408 VanDerWaalsContact C-N 3.34Å; D406-R408 PolarHBondContact O-N 3.31Å; D406-N409 PolarHBondContact O-N 3Å; D406-N410 WeakPolarHBondContact O-CB 3.45Å; D406-N410 PolarHBondContact O-N 2.83Å; D406-N410 PolarHBondContact O-ND2 3.46Å
407E58.2Low55.4Low136 Ų13694.6 Ų94.664%0.63650%0.503SS*.Hα-helixtrans-60-45.3169.8-91.2-171.8149.400110.1E403 N409 N410 T411E403-E407 WeakPolarHBondContact O-CB 3.26Å; E403-E407 PolarHBondContact O-N 2.89Å; E407-N409 PolarHBondContact O-N 2.97Å; E407-N410 PolarHBondContact O-N 2.76Å; E407-T411 WeakPolarHBondContact O-CA 3.49Å; E407-T411 WeakPolarHBondContact O-CB 3.36Å; E407-T411 WeakPolarHBondContact O-CG2 3.44Å; E407-T411 PolarHBondContact O-N 3.31Å; E407-T411 PolarHBondContact O-OG1 3.48Å
408R57.5Low53.5Low177 Ų177100 Ų10067%0.66853%0.531SS*.Hα-helixtrans-61-44.5177.4-173.9107.2179-176.31.4111.8A404 I405 D406 T411 L412A404-R408 WeakPolarHBondContact O-CB 3.49Å; A404-R408 PolarHBondContact O-N 3.03Å; I405-R408 PolarHBondContact O-N 3.23Å; D406-R408 VanDerWaalsContact C-N 3.34Å; D406-R408 PolarHBondContact O-N 3.31Å; R408-T411 WeakPolarHBondContact CA-OG1 3.27Å; R408-T411 PolarHBondContact O-OG1 3.32Å; R408-L412 HydrophobicContact CG-CD1 4.39Å; R408-L412 WeakPolarHBondContact O-CB 3.05Å; R408-L412 WeakPolarHBondContact O-CD1 3.36Å; R408-L412 WeakPolarHBondContact O-CG 3.37Å; R408-L412 PolarHBondContact O-N 2.69Å
409N50.6Low51.7Low45 Ų45104.3 Ų104.324%0.24155%0.546CS..Hα-helixtrans-70.5-42.4-179.4-70.9-20.3000111.5I405 D406 E407 L412 E413I405-N409 WeakPolarHBondContact CG2-ND2 3.36Å; I405-N409 VanDerWaalsContact O-CB 3.28Å; I405-N409 WeakPolarHBondContact O-CB 3.32Å; I405-N409 PolarHBondContact O-N 2.91Å; I405-N409 PolarHBondContact O-ND2 3.25Å; D406-N409 PolarHBondContact O-N 3Å; E407-N409 PolarHBondContact O-N 2.97Å; N409-L412 WeakPolarHBondContact O-CB 3.36Å; N409-L412 PolarHBondContact O-N 3.08Å; N409-E413 PolarHBondContact O-N 2.99Å
410N53Low50.5Low84 Ų84103.5 Ų103.545%0.44955%0.546SS..Hα-helixtrans-74.9-31.9178.8-66.8-21.1000111.9D406 E407 L412 E413 A414D406-N410 WeakPolarHBondContact O-CB 3.45Å; D406-N410 PolarHBondContact O-N 2.83Å; D406-N410 PolarHBondContact O-ND2 3.46Å; E407-N410 PolarHBondContact O-N 2.76Å; N410-L412 VanDerWaalsContact C-N 3.33Å; N410-E413 PolarHBondContact O-N 2.82Å; N410-A414 WeakPolarHBondContact O-CB 3.43Å; N410-A414 PolarHBondContact O-N 2.8Å
411T51.9Low49.2Very low83 Ų83106.6 Ų106.651%0.50956%0.555SS.*Hα-helixtrans-72.8-27.9172.950.70000111.9E407 R408 A414 I415E407-T411 WeakPolarHBondContact O-CA 3.49Å; E407-T411 WeakPolarHBondContact O-CB 3.36Å; E407-T411 WeakPolarHBondContact O-CG2 3.44Å; E407-T411 PolarHBondContact O-N 3.31Å; E407-T411 PolarHBondContact O-OG1 3.48Å; R408-T411 WeakPolarHBondContact CA-OG1 3.27Å; R408-T411 PolarHBondContact O-OG1 3.32Å; T411-A414 CarbonylContact O-C 2.88Å; T411-A414 PolarHBondContact O-N 3.05Å; T411-I415 VanDerWaalsContact O-CG1 3.3Å; T411-I415 WeakPolarHBondContact O-CG1 3.2Å; T411-I415 PolarHBondContact O-N 2.69Å; T411-I415 VanDerWaalsContact O-N 3.08Å
412L48.6Very low48.3Very low72 Ų72110.5 Ų110.538%0.37757%0.566SS.*Hα-helixtrans-65.6-36.8168.1-83.4158.9000111.9R408 N409 N410R408-L412 HydrophobicContact CG-CD1 4.39Å; R408-L412 WeakPolarHBondContact O-CB 3.05Å; R408-L412 WeakPolarHBondContact O-CD1 3.36Å; R408-L412 WeakPolarHBondContact O-CG 3.37Å; R408-L412 PolarHBondContact O-N 2.69Å; N409-L412 WeakPolarHBondContact O-CB 3.36Å; N409-L412 PolarHBondContact O-N 3.08Å; N410-L412 VanDerWaalsContact C-N 3.33Å
413E47.6Very low47.3Very low116 Ų116113 Ų11354%0.54258%0.581SS.*Hα-helixtrans-75.2-25.3171.8-71.5-176.1177.200113.1N409 N410N409-E413 PolarHBondContact O-N 2.99Å; N410-E413 PolarHBondContact O-N 2.82Å
414A41.9Very low46.4Very low69 Ų69110.4 Ų110.457%0.5758%0.582SS**THydrogen-bonded Turntrans-97.88.8-176.300000114.3N410 T411 P416N410-A414 WeakPolarHBondContact O-CB 3.43Å; N410-A414 PolarHBondContact O-N 2.8Å; T411-A414 CarbonylContact O-C 2.88Å; T411-A414 PolarHBondContact O-N 3.05Å; A414-P416 WeakPolarHBondContact O-CD 3.35Å; A414-P416 VanDerWaalsContact O-N 3.08Å
415I41.1Very low45.5Very low117 Ų117116.1 Ų116.160%0.660%0.6SS**SBendtrans-66.4107.8160.1-52.8-176.7000104.7T411 E417T411-I415 VanDerWaalsContact O-CG1 3.3Å; T411-I415 WeakPolarHBondContact O-CG1 3.2Å; T411-I415 PolarHBondContact O-N 2.69Å; T411-I415 VanDerWaalsContact O-N 3.08Å; I415-E417 PolarHBondContact O-N 3.05Å
416P37.9Very low44.8Very low90 Ų90116 Ų11658%0.58461%0.61SS**  trans-58144.2174.9-12.729.5000106.6A414 D418A414-P416 WeakPolarHBondContact O-CD 3.35Å; A414-P416 VanDerWaalsContact O-N 3.08Å; P416-D418 HydrophobicContact CB-CB 4.43Å; P416-D418 PolarHBondContact O-N 2.98Å
417E43.2Very low44Very low200 Ų200117.3 Ų117.394%0.93562%0.617SS**SBendtrans-54.90170.6-71.3-178.2154.300113.6I415 Q419I415-E417 PolarHBondContact O-N 3.05Å; E417-Q419 PolarHBondContact O-N 3.1Å
418D41.2Very low43.5Very low135 Ų135115.9 Ų115.972%0.72261%0.613SS**SBendtrans-100.768.9-179.4-162.522.6000111.8P416P416-D418 HydrophobicContact CB-CB 4.43Å; P416-D418 PolarHBondContact O-N 2.98Å
419Q38.6Very low43.1Very low172 Ų172116.1 Ų116.180%0.80462%0.616SS**  trans169.866.9144-92.6168.916.800107.1E417 L421E417-Q419 PolarHBondContact O-N 3.1Å; Q419-L421 PolarHBondContact O-N 3.45Å
420T39.2Very low43.1Very low108 Ų108120.7 Ų120.766%0.66364%0.636SS**  trans-52.1104.2150.4460000106.5Y422T420-Y422 HydrophobicContact CG2-CD2 4.31Å; T420-Y422 HydrophobicContact CG2-CE2 4.09Å; T420-Y422 PolarHBondContact O-N 2.69Å
421L35.1Very low42.9Very low143 Ų143122.3 Ų122.375%0.74964%0.643SS**  trans-62.163.6163.1-173.970.3000107.8Q419 D423Q419-L421 PolarHBondContact O-N 3.45Å; L421-D423 HydrophobicContact CD1-CB 4.19Å; L421-D423 PolarHBondContact O-N 3.44Å
422Y40.3Very low42.9Very low157 Ų157122.1 Ų122.162%0.61664%0.638SS**  trans-77.261.7153.9-78-78.1000107.5T420 A424T420-Y422 HydrophobicContact CG2-CD2 4.31Å; T420-Y422 HydrophobicContact CG2-CE2 4.09Å; T420-Y422 PolarHBondContact O-N 2.69Å; Y422-A424 HydrophobicContact CD1-CB 4.37Å
423D34.6Very low43Very low141 Ų141124.3 Ų124.375%0.75465%0.648SS**  trans-84.69.6148.6-77.3-17000110L421 E425L421-D423 HydrophobicContact CD1-CB 4.19Å; L421-D423 PolarHBondContact O-N 3.44Å; D423-E425 PolarHBondContact O-N 3.44Å
424A38.5Very low43.5Very low73 Ų73122.9 Ų122.960%0.60365%0.647SS**SBendtrans-68.578.5155.900000108.2Y422 A426Y422-A424 HydrophobicContact CD1-CB 4.37Å; A424-A426 VanDerWaalsContact C-N 3.34Å; A424-A426 PolarHBondContact O-N 2.93Å
425E41.5Very low44.1Very low165 Ų165122 Ų12277%0.77164%0.637SS**  trans35.863.5159.8-65175.5162.100112.3D423 L427D423-E425 PolarHBondContact O-N 3.44Å; E425-L427 HydrophobicContact CB-CD1 4.43Å; E425-L427 PolarHBondContact O-N 2.84Å
426A41.3Very low45Very low71 Ų71118.5 Ų118.559%0.58763%0.63SS**  trans-60.980.3144.300000104.8A424 D428A424-A426 VanDerWaalsContact C-N 3.34Å; A424-A426 PolarHBondContact O-N 2.93Å; A426-D428 VanDerWaalsContact C-N 3.28Å; A426-D428 PolarHBondContact O-N 3.41Å
427L42.8Very low46.3Very low110 Ų110119.4 Ų119.458%0.57663%0.629SS**  trans-42.7107.1162.4-111.2106.3000103.1E425 Y429 I432E425-L427 HydrophobicContact CB-CD1 4.43Å; E425-L427 PolarHBondContact O-N 2.84Å; L427-Y429 VanDerWaalsContact C-N 3.32Å; L427-Y429 PolarHBondContact O-N 2.86Å; L427-I432 HydrophobicContact CB-CD1 4.26Å; L427-I432 HydrophobicContact CD2-CD1 3.99Å
428D47.1Very low47.7Very low105 Ų105112.6 Ų112.656%0.56160%0.603SS**  trans-43.6102.6-172.5-89.5-42.5000107.2A426 E430 L431 I432A426-D428 VanDerWaalsContact C-N 3.28Å; A426-D428 PolarHBondContact O-N 3.41Å; D428-E430 PolarHBondContact O-N 2.85Å; D428-L431 HydrophobicContact CB-CB 3.43Å; D428-L431 VanDerWaalsContact CB-CB 3.43Å; D428-L431 CarbonylContact O-C 3.49Å; D428-L431 VanDerWaalsContact O-CA 3.3Å; D428-L431 WeakPolarHBondContact O-CA 3.23Å; D428-L431 WeakPolarHBondContact O-CB 3.47Å; D428-L431 PolarHBondContact O-N 2.76Å; D428-I432 PolarHBondContact O-N 3.32Å
429Y49.1Very low49.2Very low183 Ų183111.1 Ų111.172%0.71859%0.594SS**Hα-helixtrans-62.9-24.5176-85-84.9000108.4L427 I432 M433L427-Y429 VanDerWaalsContact C-N 3.32Å; L427-Y429 PolarHBondContact O-N 2.86Å; Y429-I432 PolarHBondContact O-N 2.75Å; Y429-M433 VanDerWaalsContact O-CB 3.27Å; Y429-M433 WeakPolarHBondContact O-CB 3.3Å; Y429-M433 VanDerWaalsContact O-CG 3.23Å; Y429-M433 WeakPolarHBondContact O-CG 3.21Å; Y429-M433 PolarHBondContact O-N 3.19Å
430E49.6Very low51Low141 Ų141106 Ų10666%0.65958%0.576SS**Hα-helixtrans-57.5-47.1162.5-77-83.9148.300111.9D428 M433 V434D428-E430 PolarHBondContact O-N 2.85Å; E430-M433 PolarHBondContact O-N 3.24Å; E430-V434 VanDerWaalsContact O-CB 3.23Å; E430-V434 WeakPolarHBondContact O-CB 2.88Å; E430-V434 WeakPolarHBondContact O-CG2 3.33Å; E430-V434 PolarHBondContact O-N 3.38Å
431L49.8Very low53.1Low117 Ų117104.4 Ų104.461%0.61357%0.565SS**Hα-helixtrans-69.7-32.2176.7-16174.8000112D428 S435D428-L431 HydrophobicContact CB-CB 3.43Å; D428-L431 VanDerWaalsContact CB-CB 3.43Å; D428-L431 CarbonylContact O-C 3.49Å; D428-L431 VanDerWaalsContact O-CA 3.3Å; D428-L431 WeakPolarHBondContact O-CA 3.23Å; D428-L431 WeakPolarHBondContact O-CB 3.47Å; D428-L431 PolarHBondContact O-N 2.76Å; L431-S435 WeakPolarHBondContact O-CB 3.23Å; L431-S435 PolarHBondContact O-N 3.03Å; L431-S435 PolarHBondContact O-OG 2.74Å
432I52.3Low55.3Low79 Ų79100.5 Ų100.541%0.40555%0.548SS..Hα-helixtrans-71.8-37.9172.1-59.7177.3000111.2L427 D428 Y429 S435 G436L427-I432 HydrophobicContact CB-CD1 4.26Å; L427-I432 HydrophobicContact CD2-CD1 3.99Å; D428-I432 PolarHBondContact O-N 3.32Å; Y429-I432 PolarHBondContact O-N 2.75Å; I432-S435 WeakPolarHBondContact CA-OG 3.27Å; I432-S435 PolarHBondContact O-OG 3.13Å; I432-S435 VanDerWaalsContact O-OG 3.13Å; I432-G436 WeakPolarHBondContact O-CA 2.95Å; I432-G436 PolarHBondContact O-N 2.9Å
433M50.8Low57.4Low118 Ų11897.2 Ų97.258%0.58154%0.544SS*.Hα-helixtrans-70.3-42174.6-77-127.6-67.600111.4Y429 E430 G436 I437Y429-M433 VanDerWaalsContact O-CB 3.27Å; Y429-M433 WeakPolarHBondContact O-CB 3.3Å; Y429-M433 VanDerWaalsContact O-CG 3.23Å; Y429-M433 WeakPolarHBondContact O-CG 3.21Å; Y429-M433 PolarHBondContact O-N 3.19Å; E430-M433 PolarHBondContact O-N 3.24Å; M433-G436 PolarHBondContact O-N 3.31Å; M433-I437 WeakPolarHBondContact O-CB 3.09Å; M433-I437 VanDerWaalsContact O-CG1 3.31Å; M433-I437 WeakPolarHBondContact O-CG1 3.45Å; M433-I437 PolarHBondContact O-N 2.89Å
434V57.4Low59.9Low87 Ų8795.2 Ų95.253%0.52753%0.532SS..Hα-helixtrans-65.9-41.5176.6172.20000110.2E430 S438E430-V434 VanDerWaalsContact O-CB 3.23Å; E430-V434 WeakPolarHBondContact O-CB 2.88Å; E430-V434 WeakPolarHBondContact O-CG2 3.33Å; E430-V434 PolarHBondContact O-N 3.38Å; V434-S438 WeakPolarHBondContact O-CB 3.13Å; V434-S438 PolarHBondContact O-N 2.9Å
435S55.7Low62.2Low51 Ų5196.6 Ų96.636%0.35753%0.529SS..Hα-helixtrans-70.7-39.5173.561.20000112.4L431 I432 I437 S438 I439L431-S435 WeakPolarHBondContact O-CB 3.23Å; L431-S435 PolarHBondContact O-N 3.03Å; L431-S435 PolarHBondContact O-OG 2.74Å; I432-S435 WeakPolarHBondContact CA-OG 3.27Å; I432-S435 PolarHBondContact O-OG 3.13Å; I432-S435 VanDerWaalsContact O-OG 3.13Å; S435-I437 VanDerWaalsContact C-N 3.32Å; S435-I437 PolarHBondContact O-N 2.75Å; S435-S438 PolarHBondContact O-N 2.73Å; S435-I439 WeakPolarHBondContact O-CB 3.22Å; S435-I439 WeakPolarHBondContact O-CD1 3.44Å; S435-I439 WeakPolarHBondContact O-CG1 3.44Å; S435-I439 PolarHBondContact O-N 3.36Å
436G58.5Low64.3Low43 Ų4393.8 Ų93.844%0.44352%0.519SS..Hα-helixtrans-65.8-28.8179.300000113.9I432 M433 P440I432-G436 WeakPolarHBondContact O-CA 2.95Å; I432-G436 PolarHBondContact O-N 2.9Å; M433-G436 PolarHBondContact O-N 3.31Å; G436-P440 WeakPolarHBondContact O-CD 3.31Å; G436-P440 WeakPolarHBondContact O-CG 3.23Å
437I65.4Low66.4Low109 Ų10993.2 Ų93.256%0.55951%0.51SS*.Hα-helixtrans-91.2-35.2172.6-61.4168.4000110.9M433 S435 P440 V441M433-I437 WeakPolarHBondContact O-CB 3.09Å; M433-I437 VanDerWaalsContact O-CG1 3.31Å; M433-I437 WeakPolarHBondContact O-CG1 3.45Å; M433-I437 PolarHBondContact O-N 2.89Å; S435-I437 VanDerWaalsContact C-N 3.32Å; S435-I437 PolarHBondContact O-N 2.75Å; I437-P440 WeakPolarHBondContact O-CD 3.41Å; I437-V441 HydrophobicContact CG2-CG2 4.24Å; I437-V441 WeakPolarHBondContact O-CB 3.45Å; I437-V441 WeakPolarHBondContact O-CG2 3.11Å; I437-V441 PolarHBondContact O-N 2.96Å
438S73Confident68.5Low57 Ų5794.5 Ų94.540%0.39951%0.511SS..Hα-helixtrans-64.4-40.8178.5176.70000112.6V434 S435 V441 T442V434-S438 WeakPolarHBondContact O-CB 3.13Å; V434-S438 PolarHBondContact O-N 2.9Å; S435-S438 PolarHBondContact O-N 2.73Å; S438-V441 PolarHBondContact O-N 2.72Å; S438-T442 WeakPolarHBondContact O-CB 3.19Å; S438-T442 VanDerWaalsContact O-CG2 3.31Å; S438-T442 WeakPolarHBondContact O-CG2 3.43Å; S438-T442 PolarHBondContact O-N 3.42Å; S438-T442 PolarHBondContact O-OG1 3.4Å
439I73.2Confident70.4Confident104 Ų10494 Ų9453%0.53351%0.508SS..Hα-helixtrans-64.5-50.9-177.9-67163.7000111.8S435 V441 T442 V443S435-I439 WeakPolarHBondContact O-CB 3.22Å; S435-I439 WeakPolarHBondContact O-CD1 3.44Å; S435-I439 WeakPolarHBondContact O-CG1 3.44Å; S435-I439 PolarHBondContact O-N 3.36Å; I439-V441 PolarHBondContact O-N 2.97Å; I439-T442 WeakPolarHBondContact CA-OG1 3.27Å; I439-T442 PolarHBondContact O-N 3.43Å; I439-T442 PolarHBondContact O-OG1 2.93Å; I439-V443 HydrophobicContact CG2-CG2 4.46Å; I439-V443 WeakPolarHBondContact O-CB 3.47Å; I439-V443 VanDerWaalsContact O-CG2 3.22Å; I439-V443 WeakPolarHBondContact O-CG2 3.42Å; I439-V443 PolarHBondContact O-N 3.42Å
440P76.7Confident72.1Confident65 Ų6589.2 Ų89.242%0.42250%0.501SS..Hα-helixtrans-60.8-42.1175.2-22.631.4000112.8G436 I437 V443 I444G436-P440 WeakPolarHBondContact O-CD 3.31Å; G436-P440 WeakPolarHBondContact O-CG 3.23Å; I437-P440 WeakPolarHBondContact O-CD 3.41Å; P440-V443 PolarHBondContact O-N 3.45Å; P440-I444 WeakPolarHBondContact O-CB 3.35Å; P440-I444 WeakPolarHBondContact O-CD1 3.46Å; P440-I444 WeakPolarHBondContact O-CG1 3.31Å; P440-I444 PolarHBondContact O-N 3.36Å
441V82.6Confident73.8Confident73 Ų7390.1 Ų90.144%0.44250%0.503SS..Hα-helixtrans-66.4-41.8-178.6173.40000111.1I437 S438 I439 I444 L445I437-V441 HydrophobicContact CG2-CG2 4.24Å; I437-V441 WeakPolarHBondContact O-CB 3.45Å; I437-V441 WeakPolarHBondContact O-CG2 3.11Å; I437-V441 PolarHBondContact O-N 2.96Å; S438-V441 PolarHBondContact O-N 2.72Å; I439-V441 PolarHBondContact O-N 2.97Å; V441-I444 PolarHBondContact O-N 2.85Å; V441-L445 HydrophobicContact CG1-CD1 3.97Å; V441-L445 WeakPolarHBondContact O-CB 3.19Å; V441-L445 WeakPolarHBondContact O-CG 3.44Å; V441-L445 PolarHBondContact O-N 3.41Å
442T81.1Confident75.6Confident62 Ų6289.3 Ų89.338%0.3850%0.498SS..Hα-helixtrans-67.6-39.4176.149.50000112.2S438 I439 L445 L446S438-T442 WeakPolarHBondContact O-CB 3.19Å; S438-T442 VanDerWaalsContact O-CG2 3.31Å; S438-T442 WeakPolarHBondContact O-CG2 3.43Å; S438-T442 PolarHBondContact O-N 3.42Å; S438-T442 PolarHBondContact O-OG1 3.4Å; I439-T442 WeakPolarHBondContact CA-OG1 3.27Å; I439-T442 PolarHBondContact O-N 3.43Å; I439-T442 PolarHBondContact O-OG1 2.93Å; T442-L445 PolarHBondContact O-N 3.24Å; T442-L446 WeakPolarHBondContact O-CB 3.44Å; T442-L446 VanDerWaalsContact O-CG 3.27Å; T442-L446 WeakPolarHBondContact O-CG 3.38Å; T442-L446 PolarHBondContact O-N 2.9Å
443V85.1Confident76.9Confident88 Ų8894.3 Ų94.353%0.53351%0.512SS..Hα-helixtrans-62.9-42.9173.7171.30000111.1I439 P440 L446 S447I439-V443 HydrophobicContact CG2-CG2 4.46Å; I439-V443 WeakPolarHBondContact O-CB 3.47Å; I439-V443 VanDerWaalsContact O-CG2 3.22Å; I439-V443 WeakPolarHBondContact O-CG2 3.42Å; I439-V443 PolarHBondContact O-N 3.42Å; P440-V443 PolarHBondContact O-N 3.45Å; V443-L446 PolarHBondContact O-N 3.39Å; V443-S447 WeakPolarHBondContact O-CB 3.35Å; V443-S447 PolarHBondContact O-N 2.86Å
444I87.1Confident78.3Confident99 Ų9992.2 Ų92.251%0.50851%0.508SS..Hα-helixtrans-64-45.3176.3-68.5165.1000110.6P440 V441 S447 F448P440-I444 WeakPolarHBondContact O-CB 3.35Å; P440-I444 WeakPolarHBondContact O-CD1 3.46Å; P440-I444 WeakPolarHBondContact O-CG1 3.31Å; P440-I444 PolarHBondContact O-N 3.36Å; V441-I444 PolarHBondContact O-N 2.85Å; I444-S447 PolarHBondContact O-N 2.99Å; I444-S447 PolarHBondContact O-OG 3Å; I444-F448 HydrophobicContact CG2-CD2 4.47Å; I444-F448 PolarHBondContact O-N 3.26Å
445L86Confident79.5Confident102 Ų10295 Ų9553%0.53451%0.514SS..Hα-helixtrans-63.2-42.2177.6-77.2168.8000112.4V441 T442 S447 F448 L449V441-L445 HydrophobicContact CG1-CD1 3.97Å; V441-L445 WeakPolarHBondContact O-CB 3.19Å; V441-L445 WeakPolarHBondContact O-CG 3.44Å; V441-L445 PolarHBondContact O-N 3.41Å; T442-L445 PolarHBondContact O-N 3.24Å; L445-S447 VanDerWaalsContact C-N 3.34Å; L445-F448 PolarHBondContact O-N 2.69Å; L445-L449 WeakPolarHBondContact O-CG 3.41Å; L445-L449 PolarHBondContact O-N 3.45Å
446L86.6Confident80.6Confident106 Ų106100.8 Ų100.856%0.55553%0.529SS*.Hα-helixtrans-65.3-37.6176-74.6170.1000111.8T442 V443 F448 L449 C450T442-L446 WeakPolarHBondContact O-CB 3.44Å; T442-L446 VanDerWaalsContact O-CG 3.27Å; T442-L446 WeakPolarHBondContact O-CG 3.38Å; T442-L446 PolarHBondContact O-N 2.9Å; V443-L446 PolarHBondContact O-N 3.39Å; L446-F448 VanDerWaalsContact C-N 3.34Å; L446-L449 PolarHBondContact O-N 2.89Å; L446-C450 WeakPolarHBondContact O-CB 3.41Å; L446-C450 PolarHBondContact O-N 3.28Å; L446-C450 PolarHBondContact O-SG 2.89Å; L446-C450 VanDerWaalsContact O-SG 3.41Å
447S83.9Confident81.6Confident59 Ų59102.9 Ų102.941%0.41353%0.529SS..Hα-helixtrans-64-39.6174.379.80000111.8V443 I444 L445 C450 F451V443-S447 WeakPolarHBondContact O-CB 3.35Å; V443-S447 PolarHBondContact O-N 2.86Å; I444-S447 PolarHBondContact O-N 2.99Å; I444-S447 PolarHBondContact O-OG 3Å; L445-S447 VanDerWaalsContact C-N 3.34Å; S447-C450 PolarHBondContact O-N 2.89Å; S447-F451 PolarHBondContact O-N 3.39Å
448F87.3Confident82.2Confident136 Ų136102.5 Ų102.560%0.59653%0.527SS*.Hα-helixtrans-67.1-42.8175.4-110.2-88.9000112.1I444 L445 L446 F451 L452I444-F448 HydrophobicContact CG2-CD2 4.47Å; I444-F448 PolarHBondContact O-N 3.26Å; L445-F448 PolarHBondContact O-N 2.69Å; L446-F448 VanDerWaalsContact C-N 3.34Å; F448-F451 WeakPolarHBondContact O-CB 3.38Å; F448-F451 PolarHBondContact O-N 3.46Å; F448-L452 WeakPolarHBondContact O-CG 3.34Å; F448-L452 PolarHBondContact O-N 3.44Å
449L87.5Confident82.3Confident95 Ų95105.3 Ų105.350%0.49754%0.535SS..Hα-helixtrans-63.9-40.7175.7-74171.8000111.7L445 L446 F451 L452 W453L445-L449 WeakPolarHBondContact O-CG 3.41Å; L445-L449 PolarHBondContact O-N 3.45Å; L446-L449 PolarHBondContact O-N 2.89Å; L449-F451 VanDerWaalsContact C-N 3.33Å; L449-F451 PolarHBondContact O-N 3.48Å; L449-L452 PolarHBondContact O-N 2.84Å; L449-W453 WeakPolarHBondContact O-CB 3.46Å; L449-W453 PolarHBondContact O-N 3.29Å
450C85.5Confident82.5Confident82 Ų82106.1 Ų106.155%0.55454%0.535SS*.Hα-helixtrans-61.6-40.8172.9-78.20000112L446 S447 W453 C454L446-C450 WeakPolarHBondContact O-CB 3.41Å; L446-C450 PolarHBondContact O-N 3.28Å; L446-C450 PolarHBondContact O-SG 2.89Å; L446-C450 VanDerWaalsContact O-SG 3.41Å; S447-C450 PolarHBondContact O-N 2.89Å; C450-W453 PolarHBondContact O-N 2.89Å; C450-C454 WeakPolarHBondContact O-CB 3.37Å; C450-C454 PolarHBondContact O-N 3.48Å; C450-C454 PolarHBondContact O-SG 2.99Å
451F84.8Confident82.1Confident160 Ų160112.3 Ų112.370%0.70255%0.55SS*.Hα-helixtrans-63.5-43175-108.8-82.1000112.3S447 F448 L449 C454 K455S447-F451 PolarHBondContact O-N 3.39Å; F448-F451 WeakPolarHBondContact O-CB 3.38Å; F448-F451 PolarHBondContact O-N 3.46Å; L449-F451 VanDerWaalsContact C-N 3.33Å; L449-F451 PolarHBondContact O-N 3.48Å; F451-C454 PolarHBondContact O-N 3.23Å; F451-K455 PolarHBondContact O-N 2.87Å
452L86.6Confident81.5Confident100 Ų100113.6 Ų113.652%0.52455%0.554SS.*Hα-helixtrans-65.5-42.8176.7-72.6170.5000111.5F448 L449 K455 Y456F448-L452 WeakPolarHBondContact O-CG 3.34Å; F448-L452 PolarHBondContact O-N 3.44Å; L449-L452 PolarHBondContact O-N 2.84Å; L452-K455 WeakPolarHBondContact O-CB 3.35Å; L452-K455 PolarHBondContact O-N 3.39Å; L452-Y456 WeakPolarHBondContact O-CB 3.22Å; L452-Y456 PolarHBondContact O-N 3.39Å
453W81.2Confident80.9Confident185 Ų185115.6 Ų115.670%0.70156%0.562SS**Hα-helixtrans-63.2-44175.2-95.262.3000112.3L449 C450 K455 Y456 I457L449-W453 WeakPolarHBondContact O-CB 3.46Å; L449-W453 PolarHBondContact O-N 3.29Å; C450-W453 PolarHBondContact O-N 2.89Å; W453-K455 VanDerWaalsContact C-N 3.32Å; W453-K455 PolarHBondContact O-N 3Å; W453-Y456 PolarHBondContact O-N 2.87Å; W453-Y456 VanDerWaalsContact O-N 3.17Å; W453-I457 WeakPolarHBondContact O-CG1 3.5Å; W453-I457 PolarHBondContact O-N 3.17Å
454C79.8Confident80Confident73 Ų73115 Ų11549%0.49356%0.555SS.*Hα-helixtrans-59.3-44.3173.9-80.80000111.4C450 F451 Y456 I457 I458C450-C454 WeakPolarHBondContact O-CB 3.37Å; C450-C454 PolarHBondContact O-N 3.48Å; C450-C454 PolarHBondContact O-SG 2.99Å; F451-C454 PolarHBondContact O-N 3.23Å; C454-Y456 VanDerWaalsContact C-N 3.33Å; C454-Y456 PolarHBondContact O-N 3.44Å; C454-I457 PolarHBondContact O-N 2.89Å; C454-I458 WeakPolarHBondContact O-CD1 3.26Å; C454-I458 WeakPolarHBondContact O-CG1 3.39Å; C454-I458 PolarHBondContact O-N 3.29Å
455K81.4Confident78.7Confident147 Ų147114 Ų11464%0.63956%0.557SS**Hα-helixtrans-60.3-42.6174.8-110.3-173.1175.2-178.80112.1F451 L452 W453 I458 M459F451-K455 PolarHBondContact O-N 2.87Å; L452-K455 WeakPolarHBondContact O-CB 3.35Å; L452-K455 PolarHBondContact O-N 3.39Å; W453-K455 VanDerWaalsContact C-N 3.32Å; W453-K455 PolarHBondContact O-N 3Å; K455-I458 PolarHBondContact O-N 2.95Å; K455-M459 WeakPolarHBondContact O-CB 3.49Å; K455-M459 WeakPolarHBondContact O-CG 3.41Å; K455-M459 PolarHBondContact O-N 2.85Å
456Y80.2Confident77.6Confident171 Ų171115.6 Ų115.667%0.67156%0.563SS**Hα-helixtrans-66.3-41.6180-138.2-86.2000111.8L452 W453 C454 M459 F460L452-Y456 WeakPolarHBondContact O-CB 3.22Å; L452-Y456 PolarHBondContact O-N 3.39Å; W453-Y456 PolarHBondContact O-N 2.87Å; W453-Y456 VanDerWaalsContact O-N 3.17Å; C454-Y456 VanDerWaalsContact C-N 3.33Å; C454-Y456 PolarHBondContact O-N 3.44Å; Y456-M459 PolarHBondContact O-N 3.45Å; Y456-F460 VanDerWaalsContact O-CB 3.26Å; Y456-F460 WeakPolarHBondContact O-CB 3.48Å; Y456-F460 PolarHBondContact O-N 2.89Å
457I79Confident76.2Confident87 Ų87118 Ų11845%0.44657%0.569SS.*Hα-helixtrans-62.2-44.9175.2-70.3167.7000110.5W453 C454 F460 W461W453-I457 WeakPolarHBondContact O-CG1 3.5Å; W453-I457 PolarHBondContact O-N 3.17Å; C454-I457 PolarHBondContact O-N 2.89Å; I457-F460 PolarHBondContact O-N 3.43Å; I457-W461 WeakPolarHBondContact O-CB 3.4Å; I457-W461 PolarHBondContact O-N 3.4Å
458I76.8Confident74.7Confident102 Ų102122 Ų12252%0.52358%0.582SS.*Hα-helixtrans-62.7-44.4177.3-66.2162.9000110.7C454 K455 W461 N462C454-I458 WeakPolarHBondContact O-CD1 3.26Å; C454-I458 WeakPolarHBondContact O-CG1 3.39Å; C454-I458 PolarHBondContact O-N 3.29Å; K455-I458 PolarHBondContact O-N 2.95Å; I458-W461 PolarHBondContact O-N 2.82Å; I458-N462 WeakPolarHBondContact O-CB 3.49Å; I458-N462 VanDerWaalsContact O-CG 3.28Å; I458-N462 PolarHBondContact O-N 2.88Å; I458-N462 PolarHBondContact O-ND2 3.31Å
459M77Confident73.1Confident115 Ų115118.8 Ų118.857%0.56758%0.576SS**Hα-helixtrans-63.3-41.5175.9-76.9-178.663.700112.3K455 Y456 N462 L463K455-M459 WeakPolarHBondContact O-CB 3.49Å; K455-M459 WeakPolarHBondContact O-CG 3.41Å; K455-M459 PolarHBondContact O-N 2.85Å; Y456-M459 PolarHBondContact O-N 3.45Å; M459-N462 PolarHBondContact O-N 3.13Å; M459-L463 PolarHBondContact O-N 3.44Å
460F77.4Confident71.5Confident122 Ų122120.1 Ų120.154%0.53558%0.583SS.*Hα-helixtrans-66.9-40.7178.9-166.1-102.8000111.7Y456 I457 L463 I464Y456-F460 VanDerWaalsContact O-CB 3.26Å; Y456-F460 WeakPolarHBondContact O-CB 3.48Å; Y456-F460 PolarHBondContact O-N 2.89Å; I457-F460 PolarHBondContact O-N 3.43Å; F460-L463 PolarHBondContact O-N 3.22Å; F460-I464 HydrophobicContact CD1-CD1 3.53Å; F460-I464 HydrophobicContact CD1-CG1 4.3Å; F460-I464 HydrophobicContact CE1-CD1 3.29Å; F460-I464 HydrophobicContact CE1-CG1 4.16Å; F460-I464 HydrophobicContact CZ-CD1 4.1Å; F460-I464 WeakPolarHBondContact O-CG1 3.32Å; F460-I464 PolarHBondContact O-N 3.3Å
461W66.4Low69.8Low194 Ų194125.3 Ų125.374%0.73560%0.597SS**Hα-helixtrans-61.6-42.5171.8-93.668.2000112I457 I458 L463 I464 S465I457-W461 WeakPolarHBondContact O-CB 3.4Å; I457-W461 PolarHBondContact O-N 3.4Å; I458-W461 PolarHBondContact O-N 2.82Å; W461-L463 VanDerWaalsContact C-N 3.31Å; W461-L463 PolarHBondContact O-N 3.34Å; W461-I464 PolarHBondContact O-N 2.92Å; W461-S465 VanDerWaalsContact O-CB 3.32Å; W461-S465 WeakPolarHBondContact O-CB 3.48Å; W461-S465 PolarHBondContact O-N 3.4Å
462N70.8Confident67.8Low100 Ų100128.7 Ų128.754%0.53561%0.605SS.*Hα-helixtrans-62.3-38.7174.4-73.5-20.5000111.9I458 M459 S465 M466I458-N462 WeakPolarHBondContact O-CB 3.49Å; I458-N462 VanDerWaalsContact O-CG 3.28Å; I458-N462 PolarHBondContact O-N 2.88Å; I458-N462 PolarHBondContact O-ND2 3.31Å; M459-N462 PolarHBondContact O-N 3.13Å; N462-S465 PolarHBondContact O-N 2.94Å; N462-M466 WeakPolarHBondContact O-CG 3.44Å; N462-M466 PolarHBondContact O-N 3.37Å
463L68.3Low65.7Low105 Ų105134.8 Ų134.855%0.5563%0.63SS.*Hα-helixtrans-68.5-40.2176.9-118.4127.5000112.8M459 F460 W461 M466 K467M459-L463 PolarHBondContact O-N 3.44Å; F460-L463 PolarHBondContact O-N 3.22Å; W461-L463 VanDerWaalsContact C-N 3.31Å; W461-L463 PolarHBondContact O-N 3.34Å; L463-M466 PolarHBondContact O-N 2.84Å; L463-K467 PolarHBondContact O-N 3.06Å
464I67.3Low65Low75 Ų75132.3 Ų132.339%0.38563%0.627SS.*Hα-helixtrans-65.9-43.2173.5-70.3171.3000110.4F460 W461 M466 K467 Q468F460-I464 HydrophobicContact CD1-CD1 3.53Å; F460-I464 HydrophobicContact CD1-CG1 4.3Å; F460-I464 HydrophobicContact CE1-CD1 3.29Å; F460-I464 HydrophobicContact CE1-CG1 4.16Å; F460-I464 HydrophobicContact CZ-CD1 4.1Å; F460-I464 WeakPolarHBondContact O-CG1 3.32Å; F460-I464 PolarHBondContact O-N 3.3Å; W461-I464 PolarHBondContact O-N 2.92Å; I464-M466 VanDerWaalsContact C-N 3.27Å; I464-M466 PolarHBondContact O-N 2.95Å; I464-K467 PolarHBondContact O-N 3.36Å; I464-K467 VanDerWaalsContact O-N 3.13Å; I464-Q468 PolarHBondContact O-N 3.43Å
465S59.8Low64.2Low77 Ų77135.4 Ų135.454%0.53863%0.634SS.*Hα-helixtrans-59.3-39.6176-174.50000111.4W461 N462 S469W461-S465 VanDerWaalsContact O-CB 3.32Å; W461-S465 WeakPolarHBondContact O-CB 3.48Å; W461-S465 PolarHBondContact O-N 3.4Å; N462-S465 PolarHBondContact O-N 2.94Å; S465-S469 PolarHBondContact O-N 3.38Å
466M61.1Low63.2Low137 Ų137134.8 Ų134.868%0.67563%0.634SS**Hα-helixtrans-65.6-43.7173.4-80.5-175.2135.800112.3N462 L463 I464 Q468 S469 N470N462-M466 WeakPolarHBondContact O-CG 3.44Å; N462-M466 PolarHBondContact O-N 3.37Å; L463-M466 PolarHBondContact O-N 2.84Å; I464-M466 VanDerWaalsContact C-N 3.27Å; I464-M466 PolarHBondContact O-N 2.95Å; M466-Q468 PolarHBondContact O-N 3.28Å; M466-S469 PolarHBondContact O-N 3Å; M466-S469 PolarHBondContact O-OG 3.28Å; M466-N470 PolarHBondContact O-N 2.73Å; M466-N470 VanDerWaalsContact O-N 3.12Å
467K57.2Low62.2Low155 Ų155132.6 Ų132.667%0.67463%0.632SS**Hα-helixtrans-65.1-36.1177.1-90-173.1175-179.20113.3L463 I464 N470 F471L463-K467 PolarHBondContact O-N 3.06Å; I464-K467 PolarHBondContact O-N 3.36Å; I464-K467 VanDerWaalsContact O-N 3.13Å; K467-N470 PolarHBondContact O-N 3.21Å; K467-F471 PolarHBondContact O-N 3.48Å
468Q54.2Low61.2Low145 Ų145135.5 Ų135.568%0.67864%0.643SS**Hα-helixtrans-70.5-31.9174-76.7-164.3-11.100112.4I464 M466 N470 F471I464-Q468 PolarHBondContact O-N 3.43Å; M466-Q468 PolarHBondContact O-N 3.28Å; Q468-N470 VanDerWaalsContact C-N 3.31Å; Q468-N470 PolarHBondContact O-N 3.47Å; Q468-F471 PolarHBondContact O-N 3.39Å
469S53.3Low60.1Low67 Ų67137.7 Ų137.747%0.46965%0.651SS.*Hα-helixtrans-65.7-34.517376.40000112.5S465 M466 F471 R472S465-S469 PolarHBondContact O-N 3.38Å; M466-S469 PolarHBondContact O-N 3Å; M466-S469 PolarHBondContact O-OG 3.28Å; S469-F471 VanDerWaalsContact C-N 3.29Å; S469-F471 PolarHBondContact O-N 3.12Å; S469-R472 PolarHBondContact O-N 3.38Å
470N53.5Low58.9Low123 Ų123139.4 Ų139.466%0.65866%0.657SS**THydrogen-bonded Turntrans-78-6.5176.7-84.2-6.4000114.7M466 K467 Q468M466-N470 PolarHBondContact O-N 2.73Å; M466-N470 VanDerWaalsContact O-N 3.12Å; K467-N470 PolarHBondContact O-N 3.21Å; Q468-N470 VanDerWaalsContact C-N 3.31Å; Q468-N470 PolarHBondContact O-N 3.47Å
471F49.2Very low57.5Low191 Ų191140.7 Ų140.784%0.83867%0.667SS**THydrogen-bonded Turntrans-97.93.1170.3-107.9-83.2000113.1K467 Q468 S469K467-F471 PolarHBondContact O-N 3.48Å; Q468-F471 PolarHBondContact O-N 3.39Å; S469-F471 VanDerWaalsContact C-N 3.29Å; S469-F471 PolarHBondContact O-N 3.12Å
472R43.7Very low56.8Low231 Ų231136.3 Ų136.387%0.87266%0.661SS**  trans-102.87.9172.3-92.9-172176.3-1730.3114.3S469S469-R472 PolarHBondContact O-N 3.38Å
473H42.9Very low55.5Low229 Ų229139.5 Ų139.5100%1.0667%0.672SS**  trans-115.30161.7-74.6-54.1000108.5

Retrieved 473 of 473 residues in 89.3 ms (Link to these results)

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