A0A5K4F6E8_SCHMA Loading...

Protein HTATIP2

AlphaFold DB , UniProt , Accession A0A5K4F6E8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 245 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
1M52.5Low90.6Very high242 Ų24244.1 Ų44.1100%1.19226%0.257SS*.  0139.40-77.2-178.2-100.700107.8
2A77.5Confident90.6Very high101 Ų10144 Ų4484%0.83526%0.258SS*.PPolyproline II helixtrans-66.3134.1172.400000109.1
3G92Very high90.6Very high21 Ų2142.9 Ų42.922%0.21626%0.262CS..PPolyproline II helixtrans-66.2153.5177.800000111.8R28 S30G3-R28 CarbonylContact C-O 3.51Å; G3-R28 WeakPolarHBondContact CA-O 3.4Å; G3-S30 WeakPolarHBondContact O-CB 3.35Å; G3-S30 PolarHBondContact O-OG 3.46Å
4L95.4Very high90.7Very high33 Ų3344.1 Ų44.117%0.17326%0.263CS..EExtended strand (participates in β ladder)trans-63.3140179.7-64.9-178000111.4R28 Y29 S30 D76 V77 P206 F207L4-R28 PolarHBondContact N-O 3.09Å; L4-Y29 HydrophobicContact CB-CD1 3.93Å; L4-Y29 HydrophobicContact CB-CE1 4.17Å; L4-Y29 HydrophobicContact CD1-CE1 4.43Å; L4-Y29 CarbonylContact O-C 3.3Å; L4-Y29 WeakPolarHBondContact O-CA 3.42Å; L4-S30 PolarHBondContact O-N 3.16Å; L4-D76 HydrophobicContact CD2-CB 4.12Å; L4-V77 HydrophobicContact CD1-CG2 3.86Å; L4-P206 HydrophobicContact CD1-CB 3.85Å; L4-F207 HydrophobicContact CD1-CE1 3.71Å; L4-F207 HydrophobicContact CD1-CE2 4.16Å; L4-F207 HydrophobicContact CD1-CZ 3.43Å; L4-F207 VanDerWaalsContact CD1-CZ 3.43Å; L4-F207 HydrophobicContact CG-CE1 4.09Å; L4-F207 HydrophobicContact CG-CZ 3.93Å
5R97.2Very high91Very high75 Ų7542.3 Ų42.328%0.28325%0.252SS..EExtended strand (participates in β ladder)trans-96.9127.4172.8-56.8169.8-64.9166.310108.2S30 S31 D74 D76 V77R5-S30 WeakPolarHBondContact CG-OG 3.35Å; R5-S31 WeakPolarHBondContact CA-O 3.29Å; R5-S31 WeakPolarHBondContact CB-OG 3.49Å; R5-S31 WeakPolarHBondContact CG-OG 3.33Å; R5-D74 VanDerWaalsContact CB-O 3.27Å; R5-D74 WeakPolarHBondContact CB-O 3.49Å; R5-D74 WeakPolarHBondContact CD-O 3.15Å; R5-D74 VanDerWaalsContact CZ-C 3.48Å; R5-D74 IonicContact CZ-OD1 3.95Å; R5-D74 PolarHBondContact NE-O 3.29Å; R5-D74 VanDerWaalsContact NH1-CA 3.31Å; R5-D74 VanDerWaalsContact NH1-CG 3.33Å; R5-D74 IonicContact NH1-OD1 3.25Å; R5-D74 PolarHBondContact NH1-OD1 3.12Å; R5-D76 WeakPolarHBondContact CB-OD2 3.25Å; R5-D76 IonicContact CZ-OD1 3.52Å; R5-D76 PolarHBondContact N-OD2 3.22Å; R5-D76 IonicContact NE-OD1 2.79Å; R5-D76 IonicContact NE-OD2 3.94Å; R5-D76 PolarHBondContact NE-OD2 3.2Å; R5-D76 IonicContact NH2-OD1 3.48Å; R5-D76 PolarHBondContact NH2-OD1 2.95Å; R5-D76 PolarHBondContact O-N 3.15Å; R5-V77 PolarHBondContact O-N 3.44Å
6A98.1Very high91.2Very high0 Ų039.6 Ų39.60%024%0.236CC..EExtended strand (participates in β ladder)trans-121.3157.2-175.400000112.5Y29 S31 I32 K33 V77 F79A6-Y29 HydrophobicContact CB-CD1 3.96Å; A6-Y29 HydrophobicContact CB-CE1 4.23Å; A6-S31 PolarHBondContact N-O 3.16Å; A6-I32 CarbonylContact O-C 3.52Å; A6-I32 WeakPolarHBondContact O-CA 3.41Å; A6-K33 PolarHBondContact O-N 2.63Å; A6-V77 CarbonylContact C-O 3.52Å; A6-V77 WeakPolarHBondContact CA-O 3.29Å; A6-F79 HydrophobicContact CB-CD2 4.21Å; A6-F79 HydrophobicContact CB-CE2 3.93Å
7F98.4Very high91.3Very high0 Ų042.4 Ų42.40%024%0.244CC..EExtended strand (participates in β ladder)trans-121.2155.9158.971.3-95.1000111.7V9 K33 I35 F72 T75 V77 F79 I105 F117F7-V9 HydrophobicContact CD2-CG1 4.22Å; F7-V9 HydrophobicContact CE2-CG1 4.31Å; F7-K33 CarbonylContact C-O 3.58Å; F7-K33 WeakPolarHBondContact CA-O 3.45Å; F7-K33 HydrophobicContact CB-CB 3.99Å; F7-I35 HydrophobicContact CB-CD1 3.82Å; F7-I35 HydrophobicContact CB-CG1 4.37Å; F7-I35 HydrophobicContact CD2-CD1 3.81Å; F7-I35 HydrophobicContact CG-CD1 3.95Å; F7-F72 HydrophobicContact CD1-CD1 4.27Å; F7-F72 HydrophobicContact CD2-CD1 4.41Å; F7-F72 HydrophobicContact CD2-CE1 4.35Å; F7-F72 HydrophobicContact CE1-CD1 4.01Å; F7-F72 HydrophobicContact CE2-CD1 4.17Å; F7-F72 HydrophobicContact CE2-CE1 4.05Å; F7-F72 HydrophobicContact CG-CD1 4.45Å; F7-F72 AromaticContact CZ-CD1 3.95Å; F7-F72 HydrophobicContact CZ-CD1 3.95Å; F7-F72 HydrophobicContact CZ-CE1 4.21Å; F7-T75 HydrophobicContact CB-CG2 4.19Å; F7-T75 HydrophobicContact CD1-CG2 3.9Å; F7-T75 WeakPolarHBondContact CD1-OG1 3.5Å; F7-V77 PolarHBondContact N-O 3.3Å; F7-F79 PolarHBondContact O-N 3.42Å; F7-I105 HydrophobicContact CE2-CG2 4.12Å; F7-I105 HydrophobicContact CZ-CG2 4.41Å; F7-F117 HydrophobicContact CE2-CE2 4.27Å; F7-F117 HydrophobicContact CZ-CD2 4.13Å; F7-F117 AromaticContact CZ-CE2 3.91Å; F7-F117 HydrophobicContact CZ-CE2 3.91Å
8I98.3Very high91.5Very high0 Ų040.8 Ų40.80%024%0.238CC..EExtended strand (participates in β ladder)trans-126.7125.5172.5-47.7176.6000108.7L19 I20 L23 I32 K33 L34 I35 F79I8-L19 HydrophobicContact CD1-CB 4.33Å; I8-I20 HydrophobicContact CD1-CG1 3.99Å; I8-L23 HydrophobicContact CD1-CD1 3.42Å; I8-L23 VanDerWaalsContact CD1-CD1 3.42Å; I8-L23 HydrophobicContact CG1-CD1 4.02Å; I8-I32 HydrophobicContact CD1-CG2 3.97Å; I8-I32 HydrophobicContact CG1-CG2 4.06Å; I8-K33 PolarHBondContact N-O 3.28Å; I8-L34 HydrophobicContact CB-CD2 4.13Å; I8-L34 HydrophobicContact CD1-CD2 3.61Å; I8-L34 HydrophobicContact CG1-CD2 4.08Å; I8-I35 PolarHBondContact O-N 2.86Å; I8-F79 WeakPolarHBondContact CA-O 3.31Å; I8-F79 HydrophobicContact CG1-CB 4.39Å; I8-F79 HydrophobicContact CG1-CD2 4.43Å; I8-F79 HydrophobicContact CG2-CB 4.48Å
9V98Very high91.7Very high0 Ų038.7 Ų38.70%023%0.225CC..EExtended strand (participates in β ladder)trans-105.4138.9163.4-66.90000109.3F7 I35 F79 C80 A81 L82 I105F7-V9 HydrophobicContact CD2-CG1 4.22Å; F7-V9 HydrophobicContact CE2-CG1 4.31Å; V9-I35 HydrophobicContact CG1-CB 3.71Å; V9-I35 HydrophobicContact CG1-CD1 4.17Å; V9-I35 HydrophobicContact CG1-CG1 4.49Å; V9-I35 HydrophobicContact CG1-CG2 3.91Å; V9-F79 PolarHBondContact N-O 3.12Å; V9-C80 HydrophobicContact CG2-CB 3.76Å; V9-C80 VanDerWaalsContact CG2-SG 3.55Å; V9-A81 PolarHBondContact O-N 3.26Å; V9-L82 HydrophobicContact CB-CD1 4.17Å; V9-L82 HydrophobicContact CB-CD2 4.41Å; V9-L82 HydrophobicContact CB-CG 4.05Å; V9-L82 HydrophobicContact CG2-CD1 4.01Å; V9-L82 HydrophobicContact CG2-CG 3.95Å; V9-I105 HydrophobicContact CB-CD1 4.38Å; V9-I105 HydrophobicContact CG1-CD1 4.13Å; V9-I105 HydrophobicContact CG1-CG2 4.33Å; V9-I105 HydrophobicContact CG2-CD1 4.25Å; V9-I105 HydrophobicContact CG2-CG2 4.37Å
10G95.3Very high91.8Very high11 Ų1137 Ų3711%0.11322%0.215CC..SBendtrans84.419.8-172.100000114.4T12 G13 G16G10-T12 PolarHBondContact O-N 3.22Å; G10-T12 VanDerWaalsContact O-N 3.09Å; G10-G13 PolarHBondContact O-N 3.34Å; G10-G16 WeakPolarHBondContact O-CA 3.34Å
11S93.7Very high91.8Very high2 Ų238.9 Ų38.91%0.01422%0.221CC..THydrogen-bonded Turntrans-58.2-23.8-178.766.30000114.6G16 K17 Q36S11-G16 CarbonylContact O-C 3.59Å; S11-G16 VanDerWaalsContact O-C 3.3Å; S11-K17 PolarHBondContact O-N 2.92Å; S11-Q36 WeakPolarHBondContact OG-CG 3.42Å; S11-Q36 PolarHBondContact OG-NE2 2.76Å
12T90.6Very high93.7Very high43 Ų4328 Ų2826%0.26417%0.169SC..THydrogen-bonded Turntrans-81-14.2178.867.80000114.1G10 K17 Q36 T40G10-T12 PolarHBondContact O-N 3.22Å; G10-T12 VanDerWaalsContact O-N 3.09Å; T12-K17 VanDerWaalsContact O-CE 3.24Å; T12-K17 WeakPolarHBondContact O-CE 3.45Å; T12-Q36 HydrophobicContact CG2-CG 4.43Å; T12-Q36 VanDerWaalsContact CG2-OE1 3.32Å; T12-T40 HydrophobicContact CG2-CG2 3.69Å
13G91.5Very high94.4Very high30 Ų3023.2 Ų23.231%0.30913%0.129SC..SBendtrans-75.3169.6174.300000112G10 T15 G16 K17G10-G13 PolarHBondContact O-N 3.34Å; G13-T15 VanDerWaalsContact C-N 3.32Å; G13-T15 PolarHBondContact O-N 3.25Å; G13-G16 PolarHBondContact O-N 2.79Å; G13-K17 WeakPolarHBondContact O-CG 3.27Å; G13-K17 PolarHBondContact O-N 3.34Å
14E91.5Very high94.4Very high59 Ų5922.3 Ų22.328%0.27612%0.12SC..Hα-helixtrans-62.3-41.3-178.9-59.6-54.8105.800111.7K17 A18 R166 I195E14-K17 PolarHBondContact O-N 2.89Å; E14-K17 IonicContact OE1-NZ 3.75Å; E14-K17 PolarHBondContact OE1-NZ 3.01Å; E14-A18 PolarHBondContact O-N 3.3Å; E14-R166 VanDerWaalsContact CD-CZ 3.49Å; E14-R166 VanDerWaalsContact CD-NE 3.27Å; E14-R166 IonicContact OE1-CZ 2.73Å; E14-R166 IonicContact OE1-NE 3.4Å; E14-R166 IonicContact OE1-NH2 2.69Å; E14-R166 PolarHBondContact OE1-NH2 2.92Å; E14-R166 IonicContact OE2-CZ 2.89Å; E14-R166 IonicContact OE2-NE 3.34Å; E14-R166 PolarHBondContact OE2-NE 3.43Å; E14-R166 IonicContact OE2-NH2 3.95Å; E14-R166 PolarHBondContact OE2-NH2 2.99Å; E14-I195 HydrophobicContact CB-CD1 3.53Å; E14-I195 WeakPolarHBondContact O-CD1 3.43Å
15T94.4Very high93.9Very high17 Ų1725.4 Ų25.410%0.10414%0.137CC..Hα-helixtrans-67.8-41.4177.7-49.80000110.9G13 K17 A18 L19 A81 V120 L162 I195 L198G13-T15 VanDerWaalsContact C-N 3.32Å; G13-T15 PolarHBondContact O-N 3.25Å; T15-K17 VanDerWaalsContact C-N 3.34Å; T15-K17 PolarHBondContact O-N 3.48Å; T15-A18 PolarHBondContact O-N 3.44Å; T15-L19 HydrophobicContact CG2-CD1 4.31Å; T15-L19 WeakPolarHBondContact O-CB 3.44Å; T15-L19 WeakPolarHBondContact O-CG 3.39Å; T15-L19 PolarHBondContact O-N 3.26Å; T15-A81 HydrophobicContact CG2-CB 4.22Å; T15-V120 HydrophobicContact CG2-CG2 4.04Å; T15-L162 WeakPolarHBondContact OG1-CD1 3.25Å; T15-I195 VanDerWaalsContact N-CD1 3.32Å; T15-L198 HydrophobicContact CG2-CD2 3.74Å; T15-L198 HydrophobicContact CG2-CG 4.41Å
16G95.1Very high93.6Very high0 Ų021.9 Ų21.90%012%0.124CC..Hα-helixtrans-59.4-41.9175.300000113.2G10 S11 G13 L19 I20G10-G16 WeakPolarHBondContact O-CA 3.34Å; S11-G16 CarbonylContact O-C 3.59Å; S11-G16 VanDerWaalsContact O-C 3.3Å; G13-G16 PolarHBondContact O-N 2.79Å; G16-L19 WeakPolarHBondContact O-CB 3.32Å; G16-L19 PolarHBondContact O-N 3.32Å; G16-I20 WeakPolarHBondContact O-CG1 3.23Å; G16-I20 PolarHBondContact O-N 2.92Å
17K93.4Very high93.2Very high86 Ų8628.1 Ų28.137%0.37416%0.162SC..Hα-helixtrans-64.4-44.2174.5-70.2169.9-172.7165.10111.8S11 T12 G13 E14 T15 L19 I20 K21S11-K17 PolarHBondContact O-N 2.92Å; T12-K17 VanDerWaalsContact O-CE 3.24Å; T12-K17 WeakPolarHBondContact O-CE 3.45Å; G13-K17 WeakPolarHBondContact O-CG 3.27Å; G13-K17 PolarHBondContact O-N 3.34Å; E14-K17 PolarHBondContact O-N 2.89Å; E14-K17 IonicContact OE1-NZ 3.75Å; E14-K17 PolarHBondContact OE1-NZ 3.01Å; T15-K17 VanDerWaalsContact C-N 3.34Å; T15-K17 PolarHBondContact O-N 3.48Å; K17-L19 VanDerWaalsContact C-N 3.32Å; K17-L19 PolarHBondContact O-N 2.74Å; K17-I20 PolarHBondContact O-N 2.7Å; K17-K21 WeakPolarHBondContact O-CG 3.48Å; K17-K21 PolarHBondContact O-N 3.27Å; K17-K21 VanDerWaalsContact O-N 3.13Å
18A93.6Very high93Very high15 Ų1529.9 Ų29.912%0.12417%0.168CC..Hα-helixtrans-63-39.7176.800000111.7E14 T15 K21 A22 I195 A199E14-A18 PolarHBondContact O-N 3.3Å; T15-A18 PolarHBondContact O-N 3.44Å; A18-K21 PolarHBondContact O-N 2.81Å; A18-A22 PolarHBondContact O-N 3.5Å; A18-I195 HydrophobicContact CB-CG1 3.94Å; A18-I195 HydrophobicContact CB-CG2 4.16Å; A18-A199 VanDerWaalsContact C-CB 3.47Å; A18-A199 HydrophobicContact CB-CB 3.78Å; A18-A199 WeakPolarHBondContact O-CB 3.38Å
19L95.2Very high92.8Very high0 Ų029.9 Ų29.90%017%0.169CC..Hα-helixtrans-61.4-44.1173.3-78.5168.5000112.3I8 T15 G16 K17 K21 A22 L23 F79 A81 A199 M202 T203I8-L19 HydrophobicContact CD1-CB 4.33Å; T15-L19 HydrophobicContact CG2-CD1 4.31Å; T15-L19 WeakPolarHBondContact O-CB 3.44Å; T15-L19 WeakPolarHBondContact O-CG 3.39Å; T15-L19 PolarHBondContact O-N 3.26Å; G16-L19 WeakPolarHBondContact O-CB 3.32Å; G16-L19 PolarHBondContact O-N 3.32Å; K17-L19 VanDerWaalsContact C-N 3.32Å; K17-L19 PolarHBondContact O-N 2.74Å; L19-K21 VanDerWaalsContact C-N 3.29Å; L19-K21 PolarHBondContact O-N 3.31Å; L19-A22 PolarHBondContact O-N 2.72Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.02Å; L19-F79 HydrophobicContact CD1-CB 4.42Å; L19-A81 HydrophobicContact CD1-CB 4.18Å; L19-A199 HydrophobicContact CD2-CB 4.21Å; L19-A199 HydrophobicContact CG-CB 4.36Å; L19-M202 HydrophobicContact CD1-CE 3.75Å; L19-M202 HydrophobicContact CD1-SD 4.08Å; L19-M202 HydrophobicContact CD2-CB 3.67Å; L19-M202 HydrophobicContact CD2-CE 4.02Å; L19-M202 HydrophobicContact CD2-CG 4.36Å; L19-M202 HydrophobicContact CD2-SD 3.86Å; L19-M202 HydrophobicContact CG-CE 4.48Å; L19-M202 HydrophobicContact CG-SD 4.34Å; L19-T203 HydrophobicContact CD2-CG2 4.39Å
20I94.2Very high92.6Very high4 Ų432.5 Ų32.52%0.02119%0.187CC..Hα-helixtrans-55.6-48.2175.3-72.1159.5000110.1I8 G16 K17 L23 A24 L34 V42 Y44 F55I8-I20 HydrophobicContact CD1-CG1 3.99Å; G16-I20 WeakPolarHBondContact O-CG1 3.23Å; G16-I20 PolarHBondContact O-N 2.92Å; K17-I20 PolarHBondContact O-N 2.7Å; I20-L23 PolarHBondContact O-N 3.36Å; I20-A24 WeakPolarHBondContact O-CB 3.35Å; I20-A24 PolarHBondContact O-N 2.94Å; I20-L34 HydrophobicContact CD1-CD1 4.06Å; I20-L34 HydrophobicContact CD1-CD2 4.17Å; I20-L34 HydrophobicContact CG1-CD1 4.34Å; I20-L34 HydrophobicContact CG1-CD2 3.82Å; I20-V42 HydrophobicContact CD1-CG1 3.87Å; I20-V42 HydrophobicContact CG2-CG1 3.81Å; I20-Y44 HydrophobicContact CG2-CD1 3.67Å; I20-Y44 HydrophobicContact CG2-CE1 4.24Å; I20-F55 HydrophobicContact CG2-CE1 4.05Å; I20-F55 HydrophobicContact CG2-CZ 4.45Å
21K91.7Very high92.6Very high78 Ų7833.9 Ų33.934%0.33920%0.195SC..Hα-helixtrans-62.9-41.5178.5-63-172.3178.7-162.20112.8K17 A18 L19 A24 D25 D43 S45K17-K21 WeakPolarHBondContact O-CG 3.48Å; K17-K21 PolarHBondContact O-N 3.27Å; K17-K21 VanDerWaalsContact O-N 3.13Å; A18-K21 PolarHBondContact O-N 2.81Å; L19-K21 VanDerWaalsContact C-N 3.29Å; L19-K21 PolarHBondContact O-N 3.31Å; K21-A24 VanDerWaalsContact O-CB 3.25Å; K21-A24 WeakPolarHBondContact O-CB 3.09Å; K21-A24 PolarHBondContact O-N 3.47Å; K21-D25 PolarHBondContact O-N 3.07Å; K21-D43 VanDerWaalsContact CE-OD2 3.23Å; K21-D43 WeakPolarHBondContact CE-OD2 3.44Å; K21-D43 IonicContact NZ-OD2 2.65Å; K21-D43 PolarHBondContact NZ-OD2 2.84Å; K21-S45 WeakPolarHBondContact CB-OG 3.39Å; K21-S45 WeakPolarHBondContact CG-OG 3.36Å
22A92.2Very high92.7Very high13 Ų1333.8 Ų33.811%0.10719%0.194CC..Hα-helixtrans-66.7-43.517800000112.6A18 L19 A24 D25 A199 T203A18-A22 PolarHBondContact O-N 3.5Å; L19-A22 PolarHBondContact O-N 2.72Å; A22-A24 VanDerWaalsContact C-N 3.27Å; A22-A24 PolarHBondContact O-N 2.95Å; A22-D25 PolarHBondContact O-N 3.23Å; A22-A199 HydrophobicContact CB-CB 3.95Å; A22-T203 HydrophobicContact CB-CG2 3.69Å
23L93.2Very high93.1Very high0 Ų033.6 Ų33.60%019%0.189CC..Hα-helixtrans-68.7-31176.5-72.8166.4000112.1I8 L19 I20 D25 D26 Y29 I32 R54 F55 F79 T203I8-L23 HydrophobicContact CD1-CD1 3.42Å; I8-L23 VanDerWaalsContact CD1-CD1 3.42Å; I8-L23 HydrophobicContact CG1-CD1 4.02Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.02Å; I20-L23 PolarHBondContact O-N 3.36Å; L23-D25 VanDerWaalsContact C-N 3.28Å; L23-D25 PolarHBondContact O-N 2.96Å; L23-D26 PolarHBondContact O-N 2.9Å; L23-D26 VanDerWaalsContact O-N 3.15Å; L23-Y29 HydrophobicContact CD2-CD1 3.9Å; L23-Y29 HydrophobicContact CD2-CD2 3.48Å; L23-Y29 VanDerWaalsContact CD2-CD2 3.48Å; L23-Y29 HydrophobicContact CD2-CE1 3.85Å; L23-Y29 HydrophobicContact CD2-CE2 3.44Å; L23-Y29 VanDerWaalsContact CD2-CE2 3.44Å; L23-Y29 HydrophobicContact CD2-CG 3.71Å; L23-I32 HydrophobicContact CB-CG1 4.45Å; L23-I32 HydrophobicContact CD1-CG1 4.45Å; L23-I32 HydrophobicContact CD1-CG2 4.28Å; L23-R54 PolarHBondContact O-NH2 3.44Å; L23-F55 HydrophobicContact CB-CE1 4.48Å; L23-F55 HydrophobicContact CB-CZ 4.16Å; L23-F79 HydrophobicContact CD1-CD2 4.36Å; L23-F79 HydrophobicContact CD1-CE2 4.36Å; L23-F79 HydrophobicContact CD2-CE2 4.19Å; L23-T203 HydrophobicContact CD2-CG2 3.61Å; L23-T203 HydrophobicContact CG-CG2 3.62Å
24A90.7Very high93.3Very high3 Ų332.1 Ų32.13%0.02518%0.175CC..Hα-helixtrans-56.4-45.9175.200000111.1I20 K21 A22 D26 Y44 F46 R54 F55I20-A24 WeakPolarHBondContact O-CB 3.35Å; I20-A24 PolarHBondContact O-N 2.94Å; K21-A24 VanDerWaalsContact O-CB 3.25Å; K21-A24 WeakPolarHBondContact O-CB 3.09Å; K21-A24 PolarHBondContact O-N 3.47Å; A22-A24 VanDerWaalsContact C-N 3.27Å; A22-A24 PolarHBondContact O-N 2.95Å; A24-D26 VanDerWaalsContact C-N 3.26Å; A24-D26 PolarHBondContact O-N 3.27Å; A24-Y44 WeakPolarHBondContact CB-O 3.19Å; A24-F46 HydrophobicContact CB-CD1 4.37Å; A24-F46 HydrophobicContact CB-CD2 4.33Å; A24-F46 HydrophobicContact CB-CE1 3.44Å; A24-F46 VanDerWaalsContact CB-CE1 3.44Å; A24-F46 HydrophobicContact CB-CE2 3.37Å; A24-F46 HydrophobicContact CB-CZ 2.87Å; A24-F46 WeakPolarHBondContact O-CE1 3.1Å; A24-F46 WeakPolarHBondContact O-CZ 3.49Å; A24-R54 PolarHBondContact O-NH2 2.96Å; A24-F55 HydrophobicContact CB-CE2 4.35Å; A24-F55 HydrophobicContact CB-CZ 4.18Å
25D86.1Confident93.6Very high97 Ų9729.3 Ų29.352%0.51916%0.162SC..THydrogen-bonded Turntrans-85.310.2179.1-63.2-25000114K21 A22 L23 K243K21-D25 PolarHBondContact O-N 3.07Å; A22-D25 PolarHBondContact O-N 3.23Å; L23-D25 VanDerWaalsContact C-N 3.28Å; L23-D25 PolarHBondContact O-N 2.96Å; D25-K243 PolarHBondContact O-NZ 3.03Å
26D90.5Very high93.7Very high2 Ų228.8 Ų28.81%0.01116%0.158CC..  trans-119.3100.7-175.4-162.5-22.1000111.8L23 A24 R28 Y29 R54L23-D26 PolarHBondContact O-N 2.9Å; L23-D26 VanDerWaalsContact O-N 3.15Å; A24-D26 VanDerWaalsContact C-N 3.26Å; A24-D26 PolarHBondContact O-N 3.27Å; D26-R28 PolarHBondContact O-N 3.39Å; D26-R28 VanDerWaalsContact OD1-CB 3.25Å; D26-R28 WeakPolarHBondContact OD1-CB 3.13Å; D26-R28 WeakPolarHBondContact OD1-CG 3.27Å; D26-R28 IonicContact OD1-CZ 3.14Å; D26-R28 PolarHBondContact OD1-N 3.1Å; D26-R28 VanDerWaalsContact OD1-N 3.08Å; D26-R28 IonicContact OD1-NE 3.87Å; D26-R28 PolarHBondContact OD1-NE 2.72Å; D26-R28 IonicContact OD1-NH2 2.62Å; D26-R28 IonicContact OD2-CZ 3.57Å; D26-R28 IonicContact OD2-NE 3.14Å; D26-R28 PolarHBondContact OD2-NE 3.07Å; D26-R28 IonicContact OD2-NH2 3.02Å; D26-R28 PolarHBondContact OD2-NH2 3.27Å; D26-Y29 HydrophobicContact CB-CD2 3.91Å; D26-Y29 HydrophobicContact CB-CE2 4.24Å; D26-Y29 PolarHBondContact O-N 3.39Å; D26-Y29 WeakPolarHBondContact OD2-CE2 3.42Å; D26-R54 PolarHBondContact O-NH1 3.36Å
27T89.9Confident93.6Very high130 Ų13036.7 Ų36.780%0.79819%0.188SC*.THydrogen-bonded Turntrans-72.5-8.9-178.9550000113.4Y29T27-Y29 PolarHBondContact O-N 3.3Å
28R93Very high93.6Very high37 Ų3739.6 Ų39.614%0.1420%0.196CC..THydrogen-bonded Turntrans-70.3-14.1174.6-57173.8-68.4-175.30.9112.3G3 L4 D26 N204 F207G3-R28 CarbonylContact C-O 3.51Å; G3-R28 WeakPolarHBondContact CA-O 3.4Å; L4-R28 PolarHBondContact N-O 3.09Å; D26-R28 PolarHBondContact O-N 3.39Å; D26-R28 VanDerWaalsContact OD1-CB 3.25Å; D26-R28 WeakPolarHBondContact OD1-CB 3.13Å; D26-R28 WeakPolarHBondContact OD1-CG 3.27Å; D26-R28 IonicContact OD1-CZ 3.14Å; D26-R28 PolarHBondContact OD1-N 3.1Å; D26-R28 VanDerWaalsContact OD1-N 3.08Å; D26-R28 IonicContact OD1-NE 3.87Å; D26-R28 PolarHBondContact OD1-NE 2.72Å; D26-R28 IonicContact OD1-NH2 2.62Å; D26-R28 IonicContact OD2-CZ 3.57Å; D26-R28 IonicContact OD2-NE 3.14Å; D26-R28 PolarHBondContact OD2-NE 3.07Å; D26-R28 IonicContact OD2-NH2 3.02Å; D26-R28 PolarHBondContact OD2-NH2 3.27Å; R28-N204 PolarHBondContact NH2-OD1 2.94Å; R28-F207 HydrophobicContact CB-CE1 3.73Å; R28-F207 HydrophobicContact CB-CE2 3.82Å; R28-F207 HydrophobicContact CB-CZ 3.3Å; R28-F207 HydrophobicContact CG-CE1 4.36Å; R28-F207 HydrophobicContact CG-CZ 4.23Å; R28-F207 VanDerWaalsContact CZ-CD2 3.41Å
29Y94.3Very high93.4Very high1 Ų146.9 Ų46.90%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-97.1132.8172.1-62.7-89.9000110.6L4 A6 L23 D26 T27 R54 F79 T203 P206 F207L4-Y29 HydrophobicContact CB-CD1 3.93Å; L4-Y29 HydrophobicContact CB-CE1 4.17Å; L4-Y29 HydrophobicContact CD1-CE1 4.43Å; L4-Y29 CarbonylContact O-C 3.3Å; L4-Y29 WeakPolarHBondContact O-CA 3.42Å; A6-Y29 HydrophobicContact CB-CD1 3.96Å; A6-Y29 HydrophobicContact CB-CE1 4.23Å; L23-Y29 HydrophobicContact CD2-CD1 3.9Å; L23-Y29 HydrophobicContact CD2-CD2 3.48Å; L23-Y29 VanDerWaalsContact CD2-CD2 3.48Å; L23-Y29 HydrophobicContact CD2-CE1 3.85Å; L23-Y29 HydrophobicContact CD2-CE2 3.44Å; L23-Y29 VanDerWaalsContact CD2-CE2 3.44Å; L23-Y29 HydrophobicContact CD2-CG 3.71Å; D26-Y29 HydrophobicContact CB-CD2 3.91Å; D26-Y29 HydrophobicContact CB-CE2 4.24Å; D26-Y29 PolarHBondContact O-N 3.39Å; D26-Y29 WeakPolarHBondContact OD2-CE2 3.42Å; T27-Y29 PolarHBondContact O-N 3.3Å; Y29-R54 PolarHBondContact O-NH1 3.46Å; Y29-F79 HydrophobicContact CE1-CE2 4.12Å; Y29-F79 HydrophobicContact CE1-CZ 4.27Å; Y29-T203 PolarHBondContact OH-O 2.98Å; Y29-P206 WeakPolarHBondContact OH-CG 3.34Å; Y29-F207 HydrophobicContact CD2-CE2 4.47Å; Y29-F207 HydrophobicContact CE1-CE2 4.48Å; Y29-F207 AromaticContact CE2-CE2 3.66Å; Y29-F207 HydrophobicContact CE2-CE2 3.66Å; Y29-F207 HydrophobicContact CE2-CZ 4.25Å; Y29-F207 AromaticContact CZ-CE2 3.67Å
30S94.3Very high93Very high54 Ų5448.2 Ų48.238%0.37823%0.233SC..EExtended strand (participates in β ladder)trans-94.3-35.4-178.657.30000112.9G3 L4 R5 R54G3-S30 WeakPolarHBondContact O-CB 3.35Å; G3-S30 PolarHBondContact O-OG 3.46Å; L4-S30 PolarHBondContact O-N 3.16Å; R5-S30 WeakPolarHBondContact CG-OG 3.35Å; S30-R54 WeakPolarHBondContact O-CG 3.49Å
31S95.5Very high92.7Very high41 Ų4156.3 Ų56.329%0.28728%0.277SS..EExtended strand (participates in β ladder)trans-148.2145.2178.266.30000111.6R5 A6 R54R5-S31 WeakPolarHBondContact CA-O 3.29Å; R5-S31 WeakPolarHBondContact CB-OG 3.49Å; R5-S31 WeakPolarHBondContact CG-OG 3.33Å; A6-S31 PolarHBondContact N-O 3.16Å; S31-R54 CarbonylContact C-O 3.6Å; S31-R54 WeakPolarHBondContact CA-O 3.46Å
32I96.6Very high92.3Very high0 Ų053.8 Ų53.80%027%0.268CS..EExtended strand (participates in β ladder)trans-130.4114.5-178.7-58.388.3000109.9A6 I8 L23 L34 R54 F55 T56A6-I32 CarbonylContact O-C 3.52Å; A6-I32 WeakPolarHBondContact O-CA 3.41Å; I8-I32 HydrophobicContact CD1-CG2 3.97Å; I8-I32 HydrophobicContact CG1-CG2 4.06Å; L23-I32 HydrophobicContact CB-CG1 4.45Å; L23-I32 HydrophobicContact CD1-CG1 4.45Å; L23-I32 HydrophobicContact CD1-CG2 4.28Å; I32-L34 HydrophobicContact CG2-CD2 3.82Å; I32-R54 HydrophobicContact CD1-CB 4.06Å; I32-R54 PolarHBondContact N-O 3.35Å; I32-F55 HydrophobicContact CB-CD1 3.62Å; I32-F55 HydrophobicContact CB-CE1 3.7Å; I32-F55 HydrophobicContact CB-CG 4.23Å; I32-F55 HydrophobicContact CB-CZ 4.36Å; I32-F55 HydrophobicContact CD1-CE1 4.19Å; I32-F55 HydrophobicContact CD1-CE2 4.13Å; I32-F55 HydrophobicContact CD1-CZ 3.96Å; I32-F55 HydrophobicContact CG1-CD1 4.35Å; I32-F55 HydrophobicContact CG1-CE1 3.96Å; I32-F55 HydrophobicContact CG1-CZ 4.2Å; I32-F55 HydrophobicContact CG2-CD1 3.68Å; I32-F55 HydrophobicContact CG2-CE1 3.64Å; I32-F55 CarbonylContact O-C 3.6Å; I32-F55 WeakPolarHBondContact O-CA 3.31Å; I32-T56 PolarHBondContact O-N 3.16Å
33K97.4Very high91.8Very high38 Ų3858 Ų5817%0.16529%0.288CS..EExtended strand (participates in β ladder)trans-87.9117171.8-66.5178175.5-179.40110.1A6 F7 I8 T56 I58 V71 Q73 T75A6-K33 PolarHBondContact O-N 2.63Å; F7-K33 CarbonylContact C-O 3.58Å; F7-K33 WeakPolarHBondContact CA-O 3.45Å; F7-K33 HydrophobicContact CB-CB 3.99Å; I8-K33 PolarHBondContact N-O 3.28Å; K33-T56 CarbonylContact C-O 3.48Å; K33-I58 HydrophobicContact CB-CD1 4.03Å; K33-I58 HydrophobicContact CD-CD1 3.81Å; K33-I58 HydrophobicContact CG-CD1 3.88Å; K33-V71 WeakPolarHBondContact CD-O 3.34Å; K33-V71 PolarHBondContact NZ-O 3.39Å; K33-Q73 PolarHBondContact NZ-O 2.89Å; K33-T75 HydrophobicContact CD-CG2 3.99Å
34L97.5Very high91.1Very high0 Ų059.5 Ų59.50%029%0.294CS..EExtended strand (participates in β ladder)trans-92.6101.5172.9-52.5-179.1000108.8I8 I20 I32 Q36 V42 Y44 F55 T56 Q57 I58I8-L34 HydrophobicContact CB-CD2 4.13Å; I8-L34 HydrophobicContact CD1-CD2 3.61Å; I8-L34 HydrophobicContact CG1-CD2 4.08Å; I20-L34 HydrophobicContact CD1-CD1 4.06Å; I20-L34 HydrophobicContact CD1-CD2 4.17Å; I20-L34 HydrophobicContact CG1-CD1 4.34Å; I20-L34 HydrophobicContact CG1-CD2 3.82Å; I32-L34 HydrophobicContact CG2-CD2 3.82Å; L34-Q36 HydrophobicContact CB-CG 4.36Å; L34-V42 HydrophobicContact CD1-CG1 4.3Å; L34-V42 HydrophobicContact CD1-CG2 4.09Å; L34-Y44 HydrophobicContact CD1-CE1 4.18Å; L34-F55 HydrophobicContact CD1-CD1 4.14Å; L34-F55 HydrophobicContact CD2-CD1 4.04Å; L34-F55 HydrophobicContact CD2-CE1 4.46Å; L34-F55 HydrophobicContact CG-CD1 4.16Å; L34-T56 PolarHBondContact N-O 3.38Å; L34-Q57 HydrophobicContact CB-CG 4.38Å; L34-Q57 HydrophobicContact CD1-CG 4.15Å; L34-I58 PolarHBondContact O-N 2.74Å
35I97.6Very high90.1Very high0 Ų061.9 Ų61.90%031%0.311CS..EExtended strand (participates in β ladder)trans-90.3113.7-177.5-57.1173.8000108.6F7 I8 V9 I60 F62 V71 F72F7-I35 HydrophobicContact CB-CD1 3.82Å; F7-I35 HydrophobicContact CB-CG1 4.37Å; F7-I35 HydrophobicContact CD2-CD1 3.81Å; F7-I35 HydrophobicContact CG-CD1 3.95Å; I8-I35 PolarHBondContact O-N 2.86Å; V9-I35 HydrophobicContact CG1-CB 3.71Å; V9-I35 HydrophobicContact CG1-CD1 4.17Å; V9-I35 HydrophobicContact CG1-CG1 4.49Å; V9-I35 HydrophobicContact CG1-CG2 3.91Å; I35-I60 HydrophobicContact CG2-CD1 3.35Å; I35-I60 HydrophobicContact CG2-CG1 3.76Å; I35-I60 HydrophobicContact CG2-CG2 4.35Å; I35-F62 HydrophobicContact CG2-CZ 4.35Å; I35-V71 HydrophobicContact CD1-CG1 3.58Å; I35-V71 HydrophobicContact CG1-CG1 3.71Å; I35-V71 HydrophobicContact CG2-CG1 4.49Å; I35-F72 HydrophobicContact CD1-CD1 3.81Å; I35-F72 HydrophobicContact CD1-CE1 3.44Å; I35-F72 VanDerWaalsContact CD1-CE1 3.44Å; I35-F72 HydrophobicContact CD1-CZ 4.16Å
36Q95.7Very high89Confident5 Ų559.2 Ų59.22%0.02330%0.295CS..EExtended strand (participates in β ladder)trans-135.6157.4-166.7-53.4-172.92700111.7S11 T12 L34 R38 T40 I58 I59 I60S11-Q36 WeakPolarHBondContact OG-CG 3.42Å; S11-Q36 PolarHBondContact OG-NE2 2.76Å; T12-Q36 HydrophobicContact CG2-CG 4.43Å; T12-Q36 VanDerWaalsContact CG2-OE1 3.32Å; L34-Q36 HydrophobicContact CB-CG 4.36Å; Q36-R38 WeakPolarHBondContact CB-O 3.33Å; Q36-R38 PolarHBondContact OE1-O 2.91Å; Q36-R38 VanDerWaalsContact OE1-O 3.1Å; Q36-T40 PolarHBondContact OE1-OG1 2.77Å; Q36-I58 PolarHBondContact N-O 3.48Å; Q36-I59 HydrophobicContact CB-CD1 3.96Å; Q36-I59 CarbonylContact O-C 3.5Å; Q36-I59 VanDerWaalsContact O-CA 3.29Å; Q36-I59 WeakPolarHBondContact O-CA 3.32Å; Q36-I60 PolarHBondContact O-N 3.06Å
37R94Very high87.4Confident166 Ų16669 Ų6963%0.62634%0.34SS*.SBendtrans-84.9-8.8173.267179.6177.8172.70.5114.1F62R37-F62 HydrophobicContact CB-CD2 3.88Å; R37-F62 HydrophobicContact CB-CE2 3.92Å
38R91.9Very high86.1Confident147 Ų14766.7 Ų66.756%0.55532%0.323SS*.SBendtrans-162.6150.6-178.564.8-176.9-175.8129.81.5110.1Q36 T40Q36-R38 WeakPolarHBondContact CB-O 3.33Å; Q36-R38 PolarHBondContact OE1-O 2.91Å; Q36-R38 VanDerWaalsContact OE1-O 3.1Å; R38-T40 HydrophobicContact CG-CG2 4.21Å
39K89.7Confident84.9Confident169 Ų16972.9 Ų72.974%0.73535%0.351SS*.  trans-66139.1173.1-167.1171.2-176.8176.20110.2I59K39-I59 HydrophobicContact CB-CD1 4.3Å; K39-I59 HydrophobicContact CB-CG1 4.48Å
40T87.4Confident83.7Confident28 Ų2878.3 Ų78.317%0.17238%0.38CS..  trans-135.7153.4176.655.40000111.2T12 Q36 R38 V42 Q57T12-T40 HydrophobicContact CG2-CG2 3.69Å; Q36-T40 PolarHBondContact OE1-OG1 2.77Å; R38-T40 HydrophobicContact CG-CG2 4.21Å; T40-V42 PolarHBondContact O-N 2.63Å; T40-Q57 PolarHBondContact O-NE2 3.33Å; T40-Q57 PolarHBondContact O-OE1 3.15Å
41D87.2Confident82.6Confident173 Ų17376.9 Ų76.993%0.92537%0.37SS*.  trans-72.6112.6165.7-62.8-33.1000107.5
42V83Confident81.9Confident26 Ų2679 Ų7916%0.15838%0.375CS..  trans-95.1118.1-176.9-179.90000108.7I20 L34 T40 Y44 Q57I20-V42 HydrophobicContact CD1-CG1 3.87Å; I20-V42 HydrophobicContact CG2-CG1 3.81Å; L34-V42 HydrophobicContact CD1-CG1 4.3Å; L34-V42 HydrophobicContact CD1-CG2 4.09Å; T40-V42 PolarHBondContact O-N 2.63Å; V42-Y44 HydrophobicContact CB-CD1 4.39Å; V42-Y44 HydrophobicContact CB-CD2 4.27Å; V42-Y44 HydrophobicContact CB-CE1 3.87Å; V42-Y44 HydrophobicContact CB-CE2 3.77Å; V42-Y44 HydrophobicContact CG1-CD1 3.53Å; V42-Y44 HydrophobicContact CG1-CD2 4.15Å; V42-Y44 HydrophobicContact CG1-CE1 3.29Å; V42-Y44 HydrophobicContact CG1-CE2 3.98Å; V42-Y44 HydrophobicContact CG1-CG 3.94Å; V42-Y44 VanDerWaalsContact O-CD2 3.3Å; V42-Y44 WeakPolarHBondContact O-CD2 3.18Å; V42-Y44 PolarHBondContact O-N 2.88Å; V42-Q57 HydrophobicContact CG2-CG 4.41Å
43D83.2Confident81.4Confident100 Ų10083.7 Ų83.754%0.53541%0.409SS..  trans-78.894.3167.4173.617.8000109.1K21 S45K21-D43 VanDerWaalsContact CE-OD2 3.23Å; K21-D43 WeakPolarHBondContact CE-OD2 3.44Å; K21-D43 IonicContact NZ-OD2 2.65Å; K21-D43 PolarHBondContact NZ-OD2 2.84Å; D43-S45 PolarHBondContact O-N 3.02Å; D43-S45 PolarHBondContact OD1-N 2.82Å
44Y77.6Confident81.2Confident32 Ų3283.7 Ų83.713%0.12541%0.407CS..  trans-78.3-0.7176.9-58-77.1000113.7I20 A24 L34 V42 F46 Q52 F55I20-Y44 HydrophobicContact CG2-CD1 3.67Å; I20-Y44 HydrophobicContact CG2-CE1 4.24Å; A24-Y44 WeakPolarHBondContact CB-O 3.19Å; L34-Y44 HydrophobicContact CD1-CE1 4.18Å; V42-Y44 HydrophobicContact CB-CD1 4.39Å; V42-Y44 HydrophobicContact CB-CD2 4.27Å; V42-Y44 HydrophobicContact CB-CE1 3.87Å; V42-Y44 HydrophobicContact CB-CE2 3.77Å; V42-Y44 HydrophobicContact CG1-CD1 3.53Å; V42-Y44 HydrophobicContact CG1-CD2 4.15Å; V42-Y44 HydrophobicContact CG1-CE1 3.29Å; V42-Y44 HydrophobicContact CG1-CE2 3.98Å; V42-Y44 HydrophobicContact CG1-CG 3.94Å; V42-Y44 VanDerWaalsContact O-CD2 3.3Å; V42-Y44 WeakPolarHBondContact O-CD2 3.18Å; V42-Y44 PolarHBondContact O-N 2.88Å; Y44-F46 VanDerWaalsContact C-N 3.28Å; Y44-F46 HydrophobicContact CG-CD2 4.36Å; Y44-F46 HydrophobicContact CG-CE2 4.44Å; Y44-F46 VanDerWaalsContact O-CD2 3.24Å; Y44-F46 WeakPolarHBondContact O-CD2 3.15Å; Y44-F46 WeakPolarHBondContact O-CE2 3.14Å; Y44-F46 PolarHBondContact O-N 2.86Å; Y44-Q52 HydrophobicContact CD2-CG 3.97Å; Y44-Q52 HydrophobicContact CG-CG 4.37Å; Y44-F55 HydrophobicContact CD1-CB 4.31Å; Y44-F55 HydrophobicContact CD1-CD1 4.15Å; Y44-F55 AromaticContact CD1-CD2 3.96Å; Y44-F55 HydrophobicContact CD1-CD2 3.96Å; Y44-F55 HydrophobicContact CD1-CE1 4.46Å; Y44-F55 HydrophobicContact CD1-CE2 4.3Å; Y44-F55 AromaticContact CD1-CG 3.88Å; Y44-F55 HydrophobicContact CD1-CG 3.88Å; Y44-F55 HydrophobicContact CE1-CB 3.48Å; Y44-F55 VanDerWaalsContact CE1-CB 3.48Å; Y44-F55 AromaticContact CE1-CD1 3.79Å; Y44-F55 HydrophobicContact CE1-CD1 3.79Å; Y44-F55 AromaticContact CE1-CD2 4Å; Y44-F55 HydrophobicContact CE1-CD2 4Å; Y44-F55 AromaticContact CE1-CG 3.49Å; Y44-F55 HydrophobicContact CE1-CG 3.49Å; Y44-F55 VanDerWaalsContact CE1-CG 3.49Å
45S69.4Low81Confident53 Ų5384.3 Ų84.337%0.37141%0.41SS..  trans52.933.1-177.6600000116.4K21 D43K21-S45 WeakPolarHBondContact CB-OG 3.39Å; K21-S45 WeakPolarHBondContact CG-OG 3.36Å; D43-S45 PolarHBondContact O-N 3.02Å; D43-S45 PolarHBondContact OD1-N 2.82Å
46F63.2Low80.9Confident42 Ų4288 Ų8818%0.18443%0.433CS..  trans-108.5140.8-179.2-64.9-61.6000114.3A24 Y44 N48 Q52 F55A24-F46 HydrophobicContact CB-CD1 4.37Å; A24-F46 HydrophobicContact CB-CD2 4.33Å; A24-F46 HydrophobicContact CB-CE1 3.44Å; A24-F46 VanDerWaalsContact CB-CE1 3.44Å; A24-F46 HydrophobicContact CB-CE2 3.37Å; A24-F46 HydrophobicContact CB-CZ 2.87Å; A24-F46 WeakPolarHBondContact O-CE1 3.1Å; A24-F46 WeakPolarHBondContact O-CZ 3.49Å; Y44-F46 VanDerWaalsContact C-N 3.28Å; Y44-F46 HydrophobicContact CG-CD2 4.36Å; Y44-F46 HydrophobicContact CG-CE2 4.44Å; Y44-F46 VanDerWaalsContact O-CD2 3.24Å; Y44-F46 WeakPolarHBondContact O-CD2 3.15Å; Y44-F46 WeakPolarHBondContact O-CE2 3.14Å; Y44-F46 PolarHBondContact O-N 2.86Å; F46-N48 WeakPolarHBondContact CB-O 3.23Å; F46-Q52 HydrophobicContact CD2-CG 4.03Å; F46-F55 HydrophobicContact CE2-CE2 4.15Å; F46-F55 HydrophobicContact CZ-CE2 4.41Å
47E58Low80.9Confident207 Ų20790.2 Ų90.297%0.96744%0.443SS*.SBendtrans-78.9-29.4150.1-63.6-174.8171.300111.2
48N62.4Low81Confident82 Ų8284.1 Ų84.144%0.43942%0.423SS..  trans-87.5113.7-176.2-168.1-18.4000113F46 D50F46-N48 WeakPolarHBondContact CB-O 3.23Å; N48-D50 VanDerWaalsContact C-N 3.29Å; N48-D50 PolarHBondContact O-N 2.79Å; N48-D50 VanDerWaalsContact OD1-CB 3.29Å; N48-D50 WeakPolarHBondContact OD1-CB 3.29Å; N48-D50 PolarHBondContact OD1-N 2.83Å
49K67.6Low81.2Confident166 Ų16680.8 Ų80.872%0.72242%0.415SS*.G310 helixtrans-64.3-28.7176.7-71-176.7178.1178.90113.5S51 Q52K49-S51 PolarHBondContact O-N 2.69Å; K49-Q52 WeakPolarHBondContact O-CB 3.13Å; K49-Q52 PolarHBondContact O-N 2.82Å
50D68Low81.6Confident116 Ų11673 Ų7362%0.6238%0.382SS*.G310 helixtrans-62.5-36.6-176.4-64.7-20000111.2N48 Q52 S53N48-D50 VanDerWaalsContact C-N 3.29Å; N48-D50 PolarHBondContact O-N 2.79Å; N48-D50 VanDerWaalsContact OD1-CB 3.29Å; N48-D50 WeakPolarHBondContact OD1-CB 3.29Å; N48-D50 PolarHBondContact OD1-N 2.83Å; D50-Q52 PolarHBondContact O-N 2.53Å; D50-S53 WeakPolarHBondContact O-CB 3.48Å; D50-S53 PolarHBondContact O-N 2.87Å; D50-S53 VanDerWaalsContact O-N 3.16Å; D50-S53 PolarHBondContact O-OG 3.48Å
51S72.9Confident82Confident24 Ų2474.7 Ų74.717%0.16839%0.389CS..G310 helixtrans-68.2-23.4179-560000113.4K49 S53 R54 F55K49-S51 PolarHBondContact O-N 2.69Å; S51-S53 VanDerWaalsContact C-N 3.31Å; S51-R54 PolarHBondContact O-N 3.21Å; S51-F55 VanDerWaalsContact O-CD2 3.31Å; S51-F55 WeakPolarHBondContact O-CD2 3.29Å
52Q80.5Confident82.4Confident84 Ų8467.3 Ų67.339%0.39335%0.349SS..G310 helixtrans-69.1-31.3174.9-60.1-177.88.800111.8Y44 F46 K49 D50 R54 F55Y44-Q52 HydrophobicContact CD2-CG 3.97Å; Y44-Q52 HydrophobicContact CG-CG 4.37Å; F46-Q52 HydrophobicContact CD2-CG 4.03Å; K49-Q52 WeakPolarHBondContact O-CB 3.13Å; K49-Q52 PolarHBondContact O-N 2.82Å; D50-Q52 PolarHBondContact O-N 2.53Å; Q52-R54 PolarHBondContact O-N 2.78Å; Q52-R54 VanDerWaalsContact O-N 3.16Å; Q52-F55 PolarHBondContact O-N 3.01Å
53S86.2Confident83Confident100 Ų10071.3 Ų71.370%0.69937%0.369SS*.G310 helixtrans-62.9-21.5180740000113.2D50 S51 F55D50-S53 WeakPolarHBondContact O-CB 3.48Å; D50-S53 PolarHBondContact O-N 2.87Å; D50-S53 VanDerWaalsContact O-N 3.16Å; D50-S53 PolarHBondContact O-OG 3.48Å; S51-S53 VanDerWaalsContact C-N 3.31Å; S53-F55 VanDerWaalsContact C-N 3.28Å; S53-F55 PolarHBondContact O-N 2.86Å
54R92.1Very high83.7Confident37 Ų3771.2 Ų71.214%0.1437%0.366CS..G310 helixtrans-72.6-19.1174.5-59.9-169.5-62.8144.91.3112.9L23 A24 D26 Y29 S30 S31 I32 S51 Q52L23-R54 PolarHBondContact O-NH2 3.44Å; A24-R54 PolarHBondContact O-NH2 2.96Å; D26-R54 PolarHBondContact O-NH1 3.36Å; Y29-R54 PolarHBondContact O-NH1 3.46Å; S30-R54 WeakPolarHBondContact O-CG 3.49Å; S31-R54 CarbonylContact C-O 3.6Å; S31-R54 WeakPolarHBondContact CA-O 3.46Å; I32-R54 HydrophobicContact CD1-CB 4.06Å; I32-R54 PolarHBondContact N-O 3.35Å; S51-R54 PolarHBondContact O-N 3.21Å; Q52-R54 PolarHBondContact O-N 2.78Å; Q52-R54 VanDerWaalsContact O-N 3.16Å
55F94.2Very high84.6Confident14 Ų1469.8 Ų69.86%0.06136%0.36CS..EExtended strand (participates in β ladder)trans-100.5127.8-174.8-69-97.9000111.6I20 L23 A24 I32 L34 Y44 F46 S51 Q52 S53I20-F55 HydrophobicContact CG2-CE1 4.05Å; I20-F55 HydrophobicContact CG2-CZ 4.45Å; L23-F55 HydrophobicContact CB-CE1 4.48Å; L23-F55 HydrophobicContact CB-CZ 4.16Å; A24-F55 HydrophobicContact CB-CE2 4.35Å; A24-F55 HydrophobicContact CB-CZ 4.18Å; I32-F55 HydrophobicContact CB-CD1 3.62Å; I32-F55 HydrophobicContact CB-CE1 3.7Å; I32-F55 HydrophobicContact CB-CG 4.23Å; I32-F55 HydrophobicContact CB-CZ 4.36Å; I32-F55 HydrophobicContact CD1-CE1 4.19Å; I32-F55 HydrophobicContact CD1-CE2 4.13Å; I32-F55 HydrophobicContact CD1-CZ 3.96Å; I32-F55 HydrophobicContact CG1-CD1 4.35Å; I32-F55 HydrophobicContact CG1-CE1 3.96Å; I32-F55 HydrophobicContact CG1-CZ 4.2Å; I32-F55 HydrophobicContact CG2-CD1 3.68Å; I32-F55 HydrophobicContact CG2-CE1 3.64Å; I32-F55 CarbonylContact O-C 3.6Å; I32-F55 WeakPolarHBondContact O-CA 3.31Å; L34-F55 HydrophobicContact CD1-CD1 4.14Å; L34-F55 HydrophobicContact CD2-CD1 4.04Å; L34-F55 HydrophobicContact CD2-CE1 4.46Å; L34-F55 HydrophobicContact CG-CD1 4.16Å; Y44-F55 HydrophobicContact CD1-CB 4.31Å; Y44-F55 HydrophobicContact CD1-CD1 4.15Å; Y44-F55 AromaticContact CD1-CD2 3.96Å; Y44-F55 HydrophobicContact CD1-CD2 3.96Å; Y44-F55 HydrophobicContact CD1-CE1 4.46Å; Y44-F55 HydrophobicContact CD1-CE2 4.3Å; Y44-F55 AromaticContact CD1-CG 3.88Å; Y44-F55 HydrophobicContact CD1-CG 3.88Å; Y44-F55 HydrophobicContact CE1-CB 3.48Å; Y44-F55 VanDerWaalsContact CE1-CB 3.48Å; Y44-F55 AromaticContact CE1-CD1 3.79Å; Y44-F55 HydrophobicContact CE1-CD1 3.79Å; Y44-F55 AromaticContact CE1-CD2 4Å; Y44-F55 HydrophobicContact CE1-CD2 4Å; Y44-F55 AromaticContact CE1-CG 3.49Å; Y44-F55 HydrophobicContact CE1-CG 3.49Å; Y44-F55 VanDerWaalsContact CE1-CG 3.49Å; F46-F55 HydrophobicContact CE2-CE2 4.15Å; F46-F55 HydrophobicContact CZ-CE2 4.41Å; S51-F55 VanDerWaalsContact O-CD2 3.31Å; S51-F55 WeakPolarHBondContact O-CD2 3.29Å; Q52-F55 PolarHBondContact O-N 3.01Å; S53-F55 VanDerWaalsContact C-N 3.28Å; S53-F55 PolarHBondContact O-N 2.86Å
56T94.6Very high85.9Confident77 Ų7771.5 Ų71.547%0.47237%0.365SS..EExtended strand (participates in β ladder)trans-120.2125173.7-60.10000109.7I32 K33 L34 I58I32-T56 PolarHBondContact O-N 3.16Å; K33-T56 CarbonylContact C-O 3.48Å; L34-T56 PolarHBondContact N-O 3.38Å; T56-I58 HydrophobicContact CG2-CG1 4.09Å
57Q95.7Very high87.5Confident52 Ų5274.8 Ų74.824%0.24339%0.385CS..EExtended strand (participates in β ladder)trans-84.5125.9171.1-65.7-170.854.700110L34 T40 V42L34-Q57 HydrophobicContact CB-CG 4.38Å; L34-Q57 HydrophobicContact CD1-CG 4.15Å; T40-Q57 PolarHBondContact O-NE2 3.33Å; T40-Q57 PolarHBondContact O-OE1 3.15Å; V42-Q57 HydrophobicContact CG2-CG 4.41Å
58I96.8Very high89.3Confident37 Ų3768.2 Ų68.219%0.1935%0.351CS..EExtended strand (participates in β ladder)trans-119.2121.1177-55.3177.1000107.6K33 L34 Q36 T56 I60 V71K33-I58 HydrophobicContact CB-CD1 4.03Å; K33-I58 HydrophobicContact CD-CD1 3.81Å; K33-I58 HydrophobicContact CG-CD1 3.88Å; L34-I58 PolarHBondContact O-N 2.74Å; Q36-I58 PolarHBondContact N-O 3.48Å; T56-I58 HydrophobicContact CG2-CG1 4.09Å; I58-I60 HydrophobicContact CG2-CG2 4.02Å; I58-V71 HydrophobicContact CB-CG1 4.3Å; I58-V71 HydrophobicContact CD1-CG1 3.83Å; I58-V71 HydrophobicContact CG2-CB 4.5Å; I58-V71 HydrophobicContact CG2-CG1 3.82Å; I58-V71 HydrophobicContact CG2-CG2 3.82Å
59I96.6Very high90.8Very high77 Ų7769 Ų6940%0.39535%0.353SS..EExtended strand (participates in β ladder)trans-99.5122.3-177.2-50.8-48.2000108.6Q36 K39Q36-I59 HydrophobicContact CB-CD1 3.96Å; Q36-I59 CarbonylContact O-C 3.5Å; Q36-I59 VanDerWaalsContact O-CA 3.29Å; Q36-I59 WeakPolarHBondContact O-CA 3.32Å; K39-I59 HydrophobicContact CB-CD1 4.3Å; K39-I59 HydrophobicContact CB-CG1 4.48Å
60I96.4Very high92.2Very high7 Ų766 Ų664%0.03634%0.341CS..  trans-128.8158.9-178.467.6165.6000110.7I35 Q36 I58 F62 L65 Y68 V71I35-I60 HydrophobicContact CG2-CD1 3.35Å; I35-I60 HydrophobicContact CG2-CG1 3.76Å; I35-I60 HydrophobicContact CG2-CG2 4.35Å; Q36-I60 PolarHBondContact O-N 3.06Å; I58-I60 HydrophobicContact CG2-CG2 4.02Å; I60-F62 HydrophobicContact CD1-CD1 4.41Å; I60-F62 HydrophobicContact CD1-CD2 4.27Å; I60-F62 HydrophobicContact CD1-CE1 4.19Å; I60-F62 HydrophobicContact CD1-CE2 4.04Å; I60-F62 HydrophobicContact CD1-CG 4.46Å; I60-F62 HydrophobicContact CD1-CZ 4Å; I60-F62 HydrophobicContact CG1-CD2 3.98Å; I60-F62 HydrophobicContact CG1-CE2 3.73Å; I60-F62 HydrophobicContact CG1-CZ 4.15Å; I60-L65 HydrophobicContact CD1-CD2 3.69Å; I60-Y68 HydrophobicContact CB-CD1 3.98Å; I60-Y68 HydrophobicContact CB-CD2 3.91Å; I60-Y68 HydrophobicContact CB-CE1 4.13Å; I60-Y68 HydrophobicContact CB-CE2 4.08Å; I60-Y68 HydrophobicContact CB-CG 3.85Å; I60-Y68 HydrophobicContact CG2-CD1 3.55Å; I60-Y68 HydrophobicContact CG2-CD2 4.28Å; I60-Y68 HydrophobicContact CG2-CE1 4.01Å; I60-Y68 HydrophobicContact CG2-CG 3.7Å; I60-V71 HydrophobicContact CG2-CG2 4.15Å
61D96.4Very high93.5Very high63 Ų6361 Ų6134%0.33732%0.315SS..  trans-90.5118.6162.7-170.7-3.3000109.9D63 H64 Y68D61-D63 VanDerWaalsContact C-N 3.26Å; D61-D63 PolarHBondContact O-N 3.02Å; D61-D63 PolarHBondContact OD1-N 3.16Å; D61-H64 HydrophobicContact CB-CB 4.44Å; D61-H64 CarbonylContact O-C 3.57Å; D61-H64 PolarHBondContact O-N 3.37Å; D61-H64 IonicContact OD2-CE1 3.83Å; D61-H64 PolarHBondContact OD2-CE1 2.62Å; D61-H64 IonicContact OD2-CG 2.72Å; D61-H64 IonicContact OD2-ND1 3.34Å; D61-H64 PolarHBondContact OD2-ND1 3.15Å; D61-Y68 HydrophobicContact CB-CE2 4.04Å
62F96Very high94.7Very high17 Ų1759.8 Ų59.88%0.07531%0.307CS..G310 helixtrans-74.2-18.6-179.7-77-99.3000112.6I35 R37 I60 H64 L65 L82 Y101 I105I35-F62 HydrophobicContact CG2-CZ 4.35Å; R37-F62 HydrophobicContact CB-CD2 3.88Å; R37-F62 HydrophobicContact CB-CE2 3.92Å; I60-F62 HydrophobicContact CD1-CD1 4.41Å; I60-F62 HydrophobicContact CD1-CD2 4.27Å; I60-F62 HydrophobicContact CD1-CE1 4.19Å; I60-F62 HydrophobicContact CD1-CE2 4.04Å; I60-F62 HydrophobicContact CD1-CG 4.46Å; I60-F62 HydrophobicContact CD1-CZ 4Å; I60-F62 HydrophobicContact CG1-CD2 3.98Å; I60-F62 HydrophobicContact CG1-CE2 3.73Å; I60-F62 HydrophobicContact CG1-CZ 4.15Å; F62-H64 PolarHBondContact O-N 3.17Å; F62-L65 HydrophobicContact CD1-CD2 4.2Å; F62-L65 WeakPolarHBondContact O-CG 3.22Å; F62-L82 HydrophobicContact CE1-CD1 4.03Å; F62-L82 HydrophobicContact CE1-CD2 4.31Å; F62-Y101 HydrophobicContact CB-CD1 4.29Å; F62-Y101 HydrophobicContact CB-CD2 3.86Å; F62-Y101 HydrophobicContact CB-CE1 4.02Å; F62-Y101 HydrophobicContact CB-CE2 3.55Å; F62-Y101 HydrophobicContact CB-CG 4.23Å; F62-Y101 AromaticContact CD1-CD2 3.99Å; F62-Y101 HydrophobicContact CD1-CD2 3.99Å; F62-Y101 HydrophobicContact CD1-CE2 4.5Å; F62-Y101 HydrophobicContact CD1-CG 4.24Å; F62-Y101 HydrophobicContact CG-CD2 4.23Å; F62-Y101 HydrophobicContact CG-CE2 4.28Å; F62-Y101 WeakPolarHBondContact O-CD1 3.33Å; F62-Y101 WeakPolarHBondContact O-CE1 3.32Å; F62-I105 HydrophobicContact CD1-CD1 4.09Å; F62-I105 HydrophobicContact CE1-CD1 3.72Å
63D96.1Very high95.5Very high110 Ų11060.6 Ų60.659%0.58831%0.31SS*.G310 helixtrans-75.8-15.6174-69.8-39.8000112.1D61 Y101D61-D63 VanDerWaalsContact C-N 3.26Å; D61-D63 PolarHBondContact O-N 3.02Å; D61-D63 PolarHBondContact OD1-N 3.16Å; D63-Y101 PolarHBondContact OD1-OH 3.42Å
64H96.9Very high95.9Very high99 Ų9960.7 Ų60.746%0.45830%0.303SS..G310 helixtrans-126.243-178.9-57.197.5000111.7D61 F62 D66 D67 Y68D61-H64 HydrophobicContact CB-CB 4.44Å; D61-H64 CarbonylContact O-C 3.57Å; D61-H64 PolarHBondContact O-N 3.37Å; D61-H64 IonicContact OD2-CE1 3.83Å; D61-H64 PolarHBondContact OD2-CE1 2.62Å; D61-H64 IonicContact OD2-CG 2.72Å; D61-H64 IonicContact OD2-ND1 3.34Å; D61-H64 PolarHBondContact OD2-ND1 3.15Å; F62-H64 PolarHBondContact O-N 3.17Å; H64-D66 PolarHBondContact O-N 3.14Å; H64-D67 WeakPolarHBondContact O-CB 3.25Å; H64-D67 PolarHBondContact O-N 3.24Å; H64-Y68 VanDerWaalsContact O-CD2 3.31Å; H64-Y68 WeakPolarHBondContact O-CD2 3.29Å
65L96.4Very high96.1Very high1 Ų159.1 Ų59.11%0.00530%0.298CS..G310 helixtrans-53.4-31.2-175.4-83.2165000114.5I60 F62 D67 Y68 Y101 H104 I105 L108I60-L65 HydrophobicContact CD1-CD2 3.69Å; F62-L65 HydrophobicContact CD1-CD2 4.2Å; F62-L65 WeakPolarHBondContact O-CG 3.22Å; L65-D67 PolarHBondContact O-N 3.45Å; L65-Y68 PolarHBondContact O-N 3.5Å; L65-Y68 VanDerWaalsContact O-N 3.12Å; L65-Y101 HydrophobicContact CD1-CD1 4.2Å; L65-H104 HydrophobicContact CD1-CB 3.8Å; L65-I105 HydrophobicContact CD1-CG1 4Å; L65-I105 HydrophobicContact CD2-CG1 3.91Å; L65-L108 HydrophobicContact CB-CD1 3.89Å; L65-L108 VanDerWaalsContact O-CD1 3.23Å; L65-L108 WeakPolarHBondContact O-CD1 3.4Å
66D96.3Very high96.2Very high90 Ų9060.5 Ų60.548%0.48131%0.306SS..G310 helixtrans-66.9-18.1178.2-68.8-46.5000113.6H64 Y68 Q69 H104H64-D66 PolarHBondContact O-N 3.14Å; D66-Y68 PolarHBondContact O-N 3.24Å; D66-Q69 VanDerWaalsContact O-CG 3.25Å; D66-Q69 WeakPolarHBondContact O-CG 3.4Å; D66-H104 VanDerWaalsContact CG-NE2 3.3Å; D66-H104 IonicContact OD1-CD2 3.31Å; D66-H104 IonicContact OD1-CE1 2.98Å; D66-H104 IonicContact OD1-NE2 2.62Å; D66-H104 PolarHBondContact OD1-NE2 3.29Å; D66-H104 IonicContact OD2-CE1 2.7Å; D66-H104 PolarHBondContact OD2-CE1 2.78Å; D66-H104 VanDerWaalsContact OD2-CE1 3.25Å; D66-H104 IonicContact OD2-NE2 3Å; D66-H104 PolarHBondContact OD2-NE2 3.31Å
67D96.9Very high96.3Very high110 Ų11056.9 Ų56.959%0.58828%0.283SS*.G310 helixtrans-79.8-5.3174.9-64.1-18.8000112.4H64 L65H64-D67 WeakPolarHBondContact O-CB 3.25Å; H64-D67 PolarHBondContact O-N 3.24Å; L65-D67 PolarHBondContact O-N 3.45Å
68Y96Very high96.5Very high69 Ų6954.4 Ų54.427%0.27127%0.272SS..G310 helixtrans-12726.6-171.4-60.5-78.9000113.1I60 D61 H64 L65 D66 E70 V71I60-Y68 HydrophobicContact CB-CD1 3.98Å; I60-Y68 HydrophobicContact CB-CD2 3.91Å; I60-Y68 HydrophobicContact CB-CE1 4.13Å; I60-Y68 HydrophobicContact CB-CE2 4.08Å; I60-Y68 HydrophobicContact CB-CG 3.85Å; I60-Y68 HydrophobicContact CG2-CD1 3.55Å; I60-Y68 HydrophobicContact CG2-CD2 4.28Å; I60-Y68 HydrophobicContact CG2-CE1 4.01Å; I60-Y68 HydrophobicContact CG2-CG 3.7Å; D61-Y68 HydrophobicContact CB-CE2 4.04Å; H64-Y68 VanDerWaalsContact O-CD2 3.31Å; H64-Y68 WeakPolarHBondContact O-CD2 3.29Å; L65-Y68 PolarHBondContact O-N 3.5Å; L65-Y68 VanDerWaalsContact O-N 3.12Å; D66-Y68 PolarHBondContact O-N 3.24Å; Y68-E70 PolarHBondContact O-N 3.44Å; Y68-V71 HydrophobicContact CD1-CG2 4.36Å; Y68-V71 VanDerWaalsContact O-CB 3.25Å; Y68-V71 WeakPolarHBondContact O-CB 3.23Å; Y68-V71 WeakPolarHBondContact O-CG2 3.31Å; Y68-V71 PolarHBondContact O-N 2.92Å; Y68-V71 VanDerWaalsContact O-N 3.09Å
69Q94.8Very high96.6Very high100 Ų10052.6 Ų52.647%0.46726%0.263SS..G310 helixtrans-59.4-36.5-175.4-52.2-171.9-28.900112.2D66 V71 F72 L108D66-Q69 VanDerWaalsContact O-CG 3.25Å; D66-Q69 WeakPolarHBondContact O-CG 3.4Å; Q69-V71 PolarHBondContact O-N 2.87Å; Q69-F72 PolarHBondContact O-N 3.45Å; Q69-L108 HydrophobicContact CB-CD2 4.49Å; Q69-L108 HydrophobicContact CG-CD2 3.78Å
70E96.4Very high96.7Very high101 Ų10149 Ų4947%0.47224%0.244SC..G310 helixtrans-62.4-23.417970.6-71165.700113.3Y68 F72 Q73Y68-E70 PolarHBondContact O-N 3.44Å; E70-F72 PolarHBondContact O-N 2.98Å; E70-Q73 WeakPolarHBondContact O-CB 3.39Å; E70-Q73 PolarHBondContact O-N 3.35Å; E70-Q73 VanDerWaalsContact O-N 3.12Å
71V96.4Very high96.7Very high11 Ų1149.3 Ų49.37%0.06725%0.248CC..G310 helixtrans-59.2-33.6177.6174.70000111.3K33 I35 I58 I60 Y68 Q69K33-V71 WeakPolarHBondContact CD-O 3.34Å; K33-V71 PolarHBondContact NZ-O 3.39Å; I35-V71 HydrophobicContact CD1-CG1 3.58Å; I35-V71 HydrophobicContact CG1-CG1 3.71Å; I35-V71 HydrophobicContact CG2-CG1 4.49Å; I58-V71 HydrophobicContact CB-CG1 4.3Å; I58-V71 HydrophobicContact CD1-CG1 3.83Å; I58-V71 HydrophobicContact CG2-CB 4.5Å; I58-V71 HydrophobicContact CG2-CG1 3.82Å; I58-V71 HydrophobicContact CG2-CG2 3.82Å; I60-V71 HydrophobicContact CG2-CG2 4.15Å; Y68-V71 HydrophobicContact CD1-CG2 4.36Å; Y68-V71 VanDerWaalsContact O-CB 3.25Å; Y68-V71 WeakPolarHBondContact O-CB 3.23Å; Y68-V71 WeakPolarHBondContact O-CG2 3.31Å; Y68-V71 PolarHBondContact O-N 2.92Å; Y68-V71 VanDerWaalsContact O-N 3.09Å; Q69-V71 PolarHBondContact O-N 2.87Å
72F97.3Very high96.7Very high0 Ų047.4 Ų47.40%024%0.238CC..G310 helixtrans-85.6-8.6-178.1-56.8-77000114.3F7 I35 Q69 E70 T75 I105 L108 A112F7-F72 HydrophobicContact CD1-CD1 4.27Å; F7-F72 HydrophobicContact CD2-CD1 4.41Å; F7-F72 HydrophobicContact CD2-CE1 4.35Å; F7-F72 HydrophobicContact CE1-CD1 4.01Å; F7-F72 HydrophobicContact CE2-CD1 4.17Å; F7-F72 HydrophobicContact CE2-CE1 4.05Å; F7-F72 HydrophobicContact CG-CD1 4.45Å; F7-F72 AromaticContact CZ-CD1 3.95Å; F7-F72 HydrophobicContact CZ-CD1 3.95Å; F7-F72 HydrophobicContact CZ-CE1 4.21Å; I35-F72 HydrophobicContact CD1-CD1 3.81Å; I35-F72 HydrophobicContact CD1-CE1 3.44Å; I35-F72 VanDerWaalsContact CD1-CE1 3.44Å; I35-F72 HydrophobicContact CD1-CZ 4.16Å; Q69-F72 PolarHBondContact O-N 3.45Å; E70-F72 PolarHBondContact O-N 2.98Å; F72-T75 PolarHBondContact O-OG1 3.01Å; F72-I105 HydrophobicContact CE1-CG2 3.73Å; F72-I105 HydrophobicContact CZ-CB 4.43Å; F72-I105 HydrophobicContact CZ-CG1 4.15Å; F72-I105 HydrophobicContact CZ-CG2 4.01Å; F72-L108 HydrophobicContact CD2-CB 3.73Å; F72-L108 HydrophobicContact CD2-CD1 4.46Å; F72-L108 HydrophobicContact CE2-CB 3.82Å; F72-L108 HydrophobicContact CE2-CD1 3.91Å; F72-A112 HydrophobicContact CB-CB 3.77Å
73Q96.1Very high96.4Very high101 Ų10149 Ų4947%0.47226%0.259SS..THydrogen-bonded Turntrans-61.8158.8174.3-67.3177.13.200110.7K33 E70 T75 A112K33-Q73 PolarHBondContact NZ-O 2.89Å; E70-Q73 WeakPolarHBondContact O-CB 3.39Å; E70-Q73 PolarHBondContact O-N 3.35Å; E70-Q73 VanDerWaalsContact O-N 3.12Å; Q73-T75 PolarHBondContact O-N 2.92Å; Q73-A112 HydrophobicContact CG-CB 4.17Å
74D94.8Very high96.2Very high101 Ų10145.2 Ų45.254%0.5424%0.24SC..THydrogen-bonded Turntrans57.434177.6-69.3-45.4000114.4R5R5-D74 VanDerWaalsContact CB-O 3.27Å; R5-D74 WeakPolarHBondContact CB-O 3.49Å; R5-D74 WeakPolarHBondContact CD-O 3.15Å; R5-D74 VanDerWaalsContact CZ-C 3.48Å; R5-D74 IonicContact CZ-OD1 3.95Å; R5-D74 PolarHBondContact NE-O 3.29Å; R5-D74 VanDerWaalsContact NH1-CA 3.31Å; R5-D74 VanDerWaalsContact NH1-CG 3.33Å; R5-D74 IonicContact NH1-OD1 3.25Å; R5-D74 PolarHBondContact NH1-OD1 3.12Å
75T96.6Very high95.7Very high5 Ų543.5 Ų43.53%0.03124%0.236CC..  trans-123.4135.8173.963.80000110.4F7 K33 F72 Q73 C114F7-T75 HydrophobicContact CB-CG2 4.19Å; F7-T75 HydrophobicContact CD1-CG2 3.9Å; F7-T75 WeakPolarHBondContact CD1-OG1 3.5Å; K33-T75 HydrophobicContact CD-CG2 3.99Å; F72-T75 PolarHBondContact O-OG1 3.01Å; Q73-T75 PolarHBondContact O-N 2.92Å; T75-C114 WeakPolarHBondContact O-CA 3.35Å
76D96.8Very high95.2Very high43 Ų4347.8 Ų47.823%0.2326%0.258CS..SBendtrans-96.6-33.5179.6-48.8-53.7000110.2L4 R5 K115 E116L4-D76 HydrophobicContact CD2-CB 4.12Å; R5-D76 WeakPolarHBondContact CB-OD2 3.25Å; R5-D76 IonicContact CZ-OD1 3.52Å; R5-D76 PolarHBondContact N-OD2 3.22Å; R5-D76 IonicContact NE-OD1 2.79Å; R5-D76 IonicContact NE-OD2 3.94Å; R5-D76 PolarHBondContact NE-OD2 3.2Å; R5-D76 IonicContact NH2-OD1 3.48Å; R5-D76 PolarHBondContact NH2-OD1 2.95Å; R5-D76 PolarHBondContact O-N 3.15Å; D76-K115 PolarHBondContact O-N 3.06Å; D76-K115 VanDerWaalsContact O-N 3.15Å; D76-E116 PolarHBondContact O-N 3.32Å
77V97.6Very high94.8Very high0 Ų053.4 Ų53.40%028%0.279CS..EExtended strand (participates in β ladder)trans-132.8131.8-176.6-172.50000111.9L4 R5 A6 F7 F79 E116 H118 P206L4-V77 HydrophobicContact CD1-CG2 3.86Å; R5-V77 PolarHBondContact O-N 3.44Å; A6-V77 CarbonylContact C-O 3.52Å; A6-V77 WeakPolarHBondContact CA-O 3.29Å; F7-V77 PolarHBondContact N-O 3.3Å; V77-F79 HydrophobicContact CG1-CD2 4.44Å; V77-F79 HydrophobicContact CG1-CE1 4.08Å; V77-F79 HydrophobicContact CG1-CE2 3.86Å; V77-F79 HydrophobicContact CG1-CZ 3.66Å; V77-E116 WeakPolarHBondContact CA-O 3.35Å; V77-E116 HydrophobicContact CB-CB 4.47Å; V77-E116 HydrophobicContact CG1-CB 4.21Å; V77-E116 HydrophobicContact CG2-CB 4.2Å; V77-H118 VanDerWaalsContact CG1-CD2 3.48Å; V77-H118 WeakPolarHBondContact CG1-CD2 3.25Å; V77-P206 HydrophobicContact CG1-CG 4.09Å; V77-P206 HydrophobicContact CG2-CB 4.34Å; V77-P206 HydrophobicContact CG2-CG 4.32Å
78G98.4Very high94.3Very high0 Ų056.6 Ų56.60%029%0.287CS..EExtended strand (participates in β ladder)trans-109.6124.3173.400000113.2C114 E116 F117 H118G78-C114 PolarHBondContact N-SG 2.86Å; G78-E116 PolarHBondContact N-O 2.8Å; G78-F117 CarbonylContact O-C 3.56Å; G78-F117 WeakPolarHBondContact O-CA 3.3Å; G78-H118 PolarHBondContact O-N 3.38Å
79F98.7Very high94Very high0 Ų054.5 Ų54.50%028%0.283CS..EExtended strand (participates in β ladder)trans-103.4119.9172.7-61.7-73.3000111.1A6 F7 I8 V9 L19 L23 Y29 V77 H118 M202 P206A6-F79 HydrophobicContact CB-CD2 4.21Å; A6-F79 HydrophobicContact CB-CE2 3.93Å; F7-F79 PolarHBondContact O-N 3.42Å; I8-F79 WeakPolarHBondContact CA-O 3.31Å; I8-F79 HydrophobicContact CG1-CB 4.39Å; I8-F79 HydrophobicContact CG1-CD2 4.43Å; I8-F79 HydrophobicContact CG2-CB 4.48Å; V9-F79 PolarHBondContact N-O 3.12Å; L19-F79 HydrophobicContact CD1-CB 4.42Å; L23-F79 HydrophobicContact CD1-CD2 4.36Å; L23-F79 HydrophobicContact CD1-CE2 4.36Å; L23-F79 HydrophobicContact CD2-CE2 4.19Å; Y29-F79 HydrophobicContact CE1-CE2 4.12Å; Y29-F79 HydrophobicContact CE1-CZ 4.27Å; V77-F79 HydrophobicContact CG1-CD2 4.44Å; V77-F79 HydrophobicContact CG1-CE1 4.08Å; V77-F79 HydrophobicContact CG1-CE2 3.86Å; V77-F79 HydrophobicContact CG1-CZ 3.66Å; F79-H118 HydrophobicContact CD1-CB 3.52Å; F79-H118 AromaticContact CD1-CG 3.92Å; F79-H118 HydrophobicContact CE1-CB 3.92Å; F79-H118 AromaticContact CE1-CG 3.78Å; F79-H118 HydrophobicContact CG-CB 4.49Å; F79-M202 HydrophobicContact CB-CE 4.38Å; F79-M202 HydrophobicContact CD1-CB 4.38Å; F79-M202 HydrophobicContact CD1-CE 3.79Å; F79-M202 HydrophobicContact CE1-CB 4.22Å; F79-M202 WeakPolarHBondContact CE1-O 3.14Å; F79-P206 HydrophobicContact CZ-CG 4.32Å
80C98.6Very high94Very high0 Ų051.3 Ų51.30%028%0.277CS..EExtended strand (participates in β ladder)trans-110.9103.8178.8-172.90000111.6V9 F117 H118 L119 V120V9-C80 HydrophobicContact CG2-CB 3.76Å; V9-C80 VanDerWaalsContact CG2-SG 3.55Å; C80-F117 HydrophobicContact CB-CE1 3.9Å; C80-F117 HydrophobicContact CB-CE2 4.35Å; C80-F117 HydrophobicContact CB-CZ 3.59Å; C80-H118 PolarHBondContact N-O 3.29Å; C80-L119 HydrophobicContact CB-CD1 4.1Å; C80-V120 PolarHBondContact O-N 3.29Å
81A97.5Very high93.9Very high15 Ų1552.7 Ų52.712%0.12428%0.281CS..  trans-112.729.8173.400000111.4V9 T15 L19 V120V9-A81 PolarHBondContact O-N 3.26Å; T15-A81 HydrophobicContact CG2-CB 4.22Å; L19-A81 HydrophobicContact CD1-CB 4.18Å; A81-V120 HydrophobicContact CB-CG2 4.15Å
82L96.2Very high93.9Very high23 Ų2359.6 Ų59.612%0.1231%0.313CS..  trans-68.7138.3173.5-71.7175.8000110.6V9 F62 V102 I105V9-L82 HydrophobicContact CB-CD1 4.17Å; V9-L82 HydrophobicContact CB-CD2 4.41Å; V9-L82 HydrophobicContact CB-CG 4.05Å; V9-L82 HydrophobicContact CG2-CD1 4.01Å; V9-L82 HydrophobicContact CG2-CG 3.95Å; F62-L82 HydrophobicContact CE1-CD1 4.03Å; F62-L82 HydrophobicContact CE1-CD2 4.31Å; L82-V102 HydrophobicContact CB-CG2 4.24Å; L82-V102 HydrophobicContact CD1-CG2 4.45Å; L82-I105 HydrophobicContact CD1-CD1 3.44Å; L82-I105 VanDerWaalsContact CD1-CD1 3.44Å
83G90.4Very high93.9Very high50 Ų5065.1 Ų65.152%0.51534%0.337SS..  trans-178.6147.7174.400000111.5D98G83-D98 WeakPolarHBondContact CA-OD2 3.3Å
84T90.8Very high93.9Very high31 Ų3160.4 Ų60.419%0.1932%0.315CS..  trans-124.6179.2167.4-177.70000109.8S89 M94 I97 D98T84-S89 WeakPolarHBondContact CG2-OG 3.46Å; T84-S89 WeakPolarHBondContact OG1-CB 3.49Å; T84-S89 PolarHBondContact OG1-OG 2.9Å; T84-S89 VanDerWaalsContact OG1-OG 3.06Å; T84-M94 HydrophobicContact CG2-CB 3.76Å; T84-M94 HydrophobicContact CG2-CG 3.72Å; T84-M94 VanDerWaalsContact O-CE 3.24Å; T84-M94 WeakPolarHBondContact O-CE 3.44Å; T84-I97 HydrophobicContact CG2-CB 4.14Å; T84-I97 HydrophobicContact CG2-CD1 3.94Å; T84-I97 HydrophobicContact CG2-CG2 4.28Å; T84-D98 WeakPolarHBondContact CG2-OD2 3.09Å; T84-D98 PolarHBondContact N-OD2 3.34Å
85T86.3Confident94Very high63 Ų6359.7 Ų59.739%0.38731%0.305SS..  trans-115.7146.2175.564.60000109.1K87 K88 S89T85-K87 PolarHBondContact O-N 2.91Å; T85-K87 VanDerWaalsContact O-N 3.12Å; T85-K88 PolarHBondContact O-N 2.85Å; T85-K88 WeakPolarHBondContact OG1-CB 3.48Å; T85-K88 VanDerWaalsContact OG1-CG 3.23Å; T85-K88 WeakPolarHBondContact OG1-CG 3.25Å; T85-K88 PolarHBondContact OG1-N 3.08Å; T85-S89 PolarHBondContact O-N 3.43Å; T85-S89 VanDerWaalsContact O-N 3.13Å; T85-S89 PolarHBondContact O-OG 3.06Å; T85-S89 VanDerWaalsContact O-OG 3.11Å
86L87.1Confident94.1Very high90 Ų9062.9 Ų62.947%0.47132%0.321SS..Hα-helixtrans-50.8-40.3175-176.162.2000112.1K88 G90 K91 M94 F132L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 3.31Å; L86-G90 WeakPolarHBondContact O-CA 3.31Å; L86-G90 PolarHBondContact O-N 2.78Å; L86-K91 HydrophobicContact CD1-CB 4.31Å; L86-K91 HydrophobicContact CD1-CG 3.5Å; L86-K91 VanDerWaalsContact CD1-CG 3.5Å; L86-M94 HydrophobicContact CB-SD 4.33Å; L86-F132 HydrophobicContact CD1-CD1 4.44Å
87K86.9Confident94.1Very high208 Ų20861.8 Ų61.890%0.90432%0.315SS*.Hα-helixtrans-61.1-33.9176.9-175.6176.7179.2179.20113.8T85T85-K87 PolarHBondContact O-N 2.91Å; T85-K87 VanDerWaalsContact O-N 3.12Å
88K87.6Confident94Very high177 Ų17761.9 Ų61.977%0.7732%0.315SS*.Hα-helixtrans-89.7-30.6-174.9-73.6178.1-179.5178.60113.6T85 L86T85-K88 PolarHBondContact O-N 2.85Å; T85-K88 WeakPolarHBondContact OG1-CB 3.48Å; T85-K88 VanDerWaalsContact OG1-CG 3.23Å; T85-K88 WeakPolarHBondContact OG1-CG 3.25Å; T85-K88 PolarHBondContact OG1-N 3.08Å; L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 3.31Å
89S89Confident94Very high26 Ų2663.7 Ų63.718%0.18232%0.323CS..Hα-helixtrans-125.2-16.5-169.357.40000114.8T84 T85 K93T84-S89 WeakPolarHBondContact CG2-OG 3.46Å; T84-S89 WeakPolarHBondContact OG1-CB 3.49Å; T84-S89 PolarHBondContact OG1-OG 2.9Å; T84-S89 VanDerWaalsContact OG1-OG 3.06Å; T85-S89 PolarHBondContact O-N 3.43Å; T85-S89 VanDerWaalsContact O-N 3.13Å; T85-S89 PolarHBondContact O-OG 3.06Å; T85-S89 VanDerWaalsContact O-OG 3.11Å; S89-K93 WeakPolarHBondContact O-CB 3.32Å
90G94.1Very high94Very high33 Ų3365.2 Ų65.234%0.3434%0.339SS..Hα-helixtrans71.1174.1-165.700000112.5L86 M94L86-G90 WeakPolarHBondContact O-CA 3.31Å; L86-G90 PolarHBondContact O-N 2.78Å; G90-M94 WeakPolarHBondContact O-CB 3.45Å; G90-M94 PolarHBondContact O-N 2.72Å; G90-M94 VanDerWaalsContact O-N 3.13Å
91K95.3Very high94Very high129 Ų12966.8 Ų66.856%0.56135%0.345SS*.Hα-helixtrans-66.3-47.1-172.6-68.6-173.2179.3178.60113L86 M94 R95 F132L86-K91 HydrophobicContact CD1-CB 4.31Å; L86-K91 HydrophobicContact CD1-CG 3.5Å; L86-K91 VanDerWaalsContact CD1-CG 3.5Å; K91-M94 PolarHBondContact O-N 2.98Å; K91-R95 PolarHBondContact O-N 2.82Å; K91-F132 HydrophobicContact CB-CE1 4.04Å; K91-F132 HydrophobicContact CB-CE2 4.25Å; K91-F132 HydrophobicContact CB-CZ 3.81Å; K91-F132 HydrophobicContact CD-CD2 4.34Å; K91-F132 HydrophobicContact CD-CE2 4.46Å; K91-F132 HydrophobicContact CD-CG 4.43Å; K91-F132 HydrophobicContact CG-CD1 4.14Å; K91-F132 HydrophobicContact CG-CE1 4.01Å; K91-F132 HydrophobicContact CG-CE2 4.41Å; K91-F132 HydrophobicContact CG-CG 4.4Å; K91-F132 HydrophobicContact CG-CZ 4.15Å; K91-F132 WeakPolarHBondContact O-CZ 3.03Å
92E96.6Very high94Very high157 Ų15766 Ų6673%0.73434%0.339SS*.Hα-helixtrans-62.4-56.1-174.9-178.5-178.8-175.800111.6M94 R95 I96E92-M94 PolarHBondContact O-N 3.46Å; E92-R95 WeakPolarHBondContact O-CA 3.4Å; E92-R95 WeakPolarHBondContact O-CB 3.41Å; E92-R95 PolarHBondContact O-N 3.12Å; E92-I96 HydrophobicContact CG-CD1 4.48Å; E92-I96 PolarHBondContact O-N 3.14Å
93K96Very high94.2Very high115 Ų11565.8 Ų65.850%0.534%0.338SS..Hα-helixtrans-64.5-30.3177.7-175170.2-170.7159.10112.6S89 I96 I97S89-K93 WeakPolarHBondContact O-CB 3.32Å; K93-I96 PolarHBondContact O-N 2.78Å; K93-I97 HydrophobicContact CG-CD1 3.87Å; K93-I97 VanDerWaalsContact O-CG1 3.3Å; K93-I97 WeakPolarHBondContact O-CG1 3.39Å; K93-I97 PolarHBondContact O-N 2.84Å
94M96.8Very high94.5Very high3 Ų366 Ų662%0.01533%0.325CS..Hα-helixtrans-64.7-41.7170.9-175.8163.8-169.300111.9T84 L86 G90 K91 E92 I97 D98 F132 Y133 L136T84-M94 HydrophobicContact CG2-CB 3.76Å; T84-M94 HydrophobicContact CG2-CG 3.72Å; T84-M94 VanDerWaalsContact O-CE 3.24Å; T84-M94 WeakPolarHBondContact O-CE 3.44Å; L86-M94 HydrophobicContact CB-SD 4.33Å; G90-M94 WeakPolarHBondContact O-CB 3.45Å; G90-M94 PolarHBondContact O-N 2.72Å; G90-M94 VanDerWaalsContact O-N 3.13Å; K91-M94 PolarHBondContact O-N 2.98Å; E92-M94 PolarHBondContact O-N 3.46Å; M94-I97 PolarHBondContact O-N 2.9Å; M94-D98 WeakPolarHBondContact O-CB 3.32Å; M94-D98 PolarHBondContact O-N 3.42Å; M94-F132 HydrophobicContact CB-CE1 4.31Å; M94-F132 HydrophobicContact CG-CE1 4.24Å; M94-F132 HydrophobicContact SD-CE1 4.09Å; M94-Y133 HydrophobicContact CE-CD2 3.54Å; M94-Y133 HydrophobicContact CE-CE2 4.06Å; M94-L136 HydrophobicContact CG-CD2 3.79Å
95R97.6Very high94.9Very high86 Ų8664.5 Ų64.533%0.32532%0.316SS..Hα-helixtrans-62.9-42.1174.5-179.9172.8-69.4-71.33.8112K91 E92 I97 H99 G100 L136 E139K91-R95 PolarHBondContact O-N 2.82Å; E92-R95 WeakPolarHBondContact O-CA 3.4Å; E92-R95 WeakPolarHBondContact O-CB 3.41Å; E92-R95 PolarHBondContact O-N 3.12Å; R95-I97 VanDerWaalsContact C-N 3.33Å; R95-I97 PolarHBondContact O-N 2.71Å; R95-H99 VanDerWaalsContact O-CB 3.31Å; R95-H99 WeakPolarHBondContact O-CB 3.5Å; R95-H99 PolarHBondContact O-N 3.06Å; R95-H99 VanDerWaalsContact O-N 3.14Å; R95-G100 PolarHBondContact O-N 3.04Å; R95-L136 HydrophobicContact CB-CD1 4.23Å; R95-L136 HydrophobicContact CG-CD1 4.06Å; R95-L136 VanDerWaalsContact NH1-CD1 3.33Å; R95-E139 IonicContact CZ-OE2 3.6Å; R95-E139 IonicContact NH1-OE2 3.88Å; R95-E139 PolarHBondContact NH1-OE2 2.9Å; R95-E139 IonicContact NH2-OE1 2.71Å; R95-E139 IonicContact NH2-OE2 3.42Å; R95-E139 PolarHBondContact NH2-OE2 3.17Å
96I97.5Very high95.5Very high71 Ų7161.5 Ų61.536%0.36430%0.298SS..Iπ-helixtrans-58.3-46.4175-65.2169.6000110.7E92 K93 G100 Y101E92-I96 HydrophobicContact CG-CD1 4.48Å; E92-I96 PolarHBondContact O-N 3.14Å; K93-I96 PolarHBondContact O-N 2.78Å; I96-G100 CarbonylContact O-C 3.59Å; I96-G100 VanDerWaalsContact O-CA 3.25Å; I96-G100 WeakPolarHBondContact O-CA 3.09Å; I96-G100 PolarHBondContact O-N 2.98Å; I96-G100 VanDerWaalsContact O-N 3.12Å; I96-Y101 HydrophobicContact CG2-CD1 4.13Å; I96-Y101 HydrophobicContact CG2-CE1 3.54Å; I96-Y101 HydrophobicContact CG2-CE2 4.28Å; I96-Y101 PolarHBondContact O-N 3.2Å
97I96.6Very high96Very high21 Ų2162 Ų6211%0.10830%0.296CS..Iπ-helixtrans-77.4-52.9-174.8-66.3166.9000113T84 K93 M94 R95 H99 Y101T84-I97 HydrophobicContact CG2-CB 4.14Å; T84-I97 HydrophobicContact CG2-CD1 3.94Å; T84-I97 HydrophobicContact CG2-CG2 4.28Å; K93-I97 HydrophobicContact CG-CD1 3.87Å; K93-I97 VanDerWaalsContact O-CG1 3.3Å; K93-I97 WeakPolarHBondContact O-CG1 3.39Å; K93-I97 PolarHBondContact O-N 2.84Å; M94-I97 PolarHBondContact O-N 2.9Å; R95-I97 VanDerWaalsContact C-N 3.33Å; R95-I97 PolarHBondContact O-N 2.71Å; I97-H99 VanDerWaalsContact C-N 3.34Å; I97-Y101 HydrophobicContact CB-CD2 4.28Å; I97-Y101 HydrophobicContact CB-CE2 4.48Å; I97-Y101 HydrophobicContact CG1-CD2 4.01Å; I97-Y101 HydrophobicContact CG1-CE2 3.72Å; I97-Y101 HydrophobicContact CG2-CD2 4.5Å
98D97Very high96.5Very high2 Ų252.6 Ų52.61%0.01126%0.256CS..Iπ-helixtrans-81.5-12.8-171.2-78.1-116.6000113.3G83 T84 M94 L136 K137 T140G83-D98 WeakPolarHBondContact CA-OD2 3.3Å; T84-D98 WeakPolarHBondContact CG2-OD2 3.09Å; T84-D98 PolarHBondContact N-OD2 3.34Å; M94-D98 WeakPolarHBondContact O-CB 3.32Å; M94-D98 PolarHBondContact O-N 3.42Å; D98-L136 HydrophobicContact CB-CD2 3.81Å; D98-L136 HydrophobicContact CB-CG 4.37Å; D98-K137 VanDerWaalsContact OD1-CE 3.22Å; D98-K137 WeakPolarHBondContact OD1-CE 3.23Å; D98-K137 IonicContact OD1-NZ 3.3Å; D98-K137 PolarHBondContact OD1-NZ 2.79Å; D98-T140 PolarHBondContact O-OG1 3.33Å
99H98.4Very high97.1Very high37 Ų3744.1 Ų44.117%0.17122%0.219CC..Iπ-helixtrans-124.9-63.2177177.9-92.9000111.1R95 I97 Y101 V102 I103 L136 T140 D143R95-H99 VanDerWaalsContact O-CB 3.31Å; R95-H99 WeakPolarHBondContact O-CB 3.5Å; R95-H99 PolarHBondContact O-N 3.06Å; R95-H99 VanDerWaalsContact O-N 3.14Å; I97-H99 VanDerWaalsContact C-N 3.34Å; H99-Y101 PolarHBondContact O-N 3.24Å; H99-V102 PolarHBondContact O-N 3.24Å; H99-I103 VanDerWaalsContact O-CG1 3.32Å; H99-I103 WeakPolarHBondContact O-CG1 3.25Å; H99-I103 PolarHBondContact O-N 3.42Å; H99-L136 HydrophobicContact CB-CD1 3.74Å; H99-T140 WeakPolarHBondContact CA-OG1 3.24Å; H99-T140 WeakPolarHBondContact CB-OG1 3.46Å; H99-T140 PolarHBondContact CD2-OG1 2.98Å; H99-D143 IonicContact CD2-OD2 3.69Å; H99-D143 IonicContact CE1-OD2 3.31Å; H99-D143 PolarHBondContact CE1-OD2 3.34Å; H99-D143 IonicContact NE2-OD2 2.81Å; H99-D143 PolarHBondContact NE2-OD2 2.75Å
100G98.1Very high97.5Very high32 Ų3244.3 Ų44.333%0.3322%0.22SC..Iπ-helixtrans-52.7-61.5-174.600000113.9R95 I96 V102 I103 H104R95-G100 PolarHBondContact O-N 3.04Å; I96-G100 CarbonylContact O-C 3.59Å; I96-G100 VanDerWaalsContact O-CA 3.25Å; I96-G100 WeakPolarHBondContact O-CA 3.09Å; I96-G100 PolarHBondContact O-N 2.98Å; I96-G100 VanDerWaalsContact O-N 3.12Å; G100-V102 VanDerWaalsContact C-N 3.3Å; G100-V102 PolarHBondContact O-N 3Å; G100-I103 PolarHBondContact O-N 3.16Å; G100-H104 WeakPolarHBondContact O-CB 3.13Å; G100-H104 PolarHBondContact O-N 2.98Å
101Y98.1Very high97.6Very high33 Ų3347 Ų4713%0.12924%0.24CC..Iπ-helixtrans-60.9-39.3178.8-62.9-18.7000112.1F62 D63 L65 I96 I97 H99 H104 I105F62-Y101 HydrophobicContact CB-CD1 4.29Å; F62-Y101 HydrophobicContact CB-CD2 3.86Å; F62-Y101 HydrophobicContact CB-CE1 4.02Å; F62-Y101 HydrophobicContact CB-CE2 3.55Å; F62-Y101 HydrophobicContact CB-CG 4.23Å; F62-Y101 AromaticContact CD1-CD2 3.99Å; F62-Y101 HydrophobicContact CD1-CD2 3.99Å; F62-Y101 HydrophobicContact CD1-CE2 4.5Å; F62-Y101 HydrophobicContact CD1-CG 4.24Å; F62-Y101 HydrophobicContact CG-CD2 4.23Å; F62-Y101 HydrophobicContact CG-CE2 4.28Å; F62-Y101 WeakPolarHBondContact O-CD1 3.33Å; F62-Y101 WeakPolarHBondContact O-CE1 3.32Å; D63-Y101 PolarHBondContact OD1-OH 3.42Å; L65-Y101 HydrophobicContact CD1-CD1 4.2Å; I96-Y101 HydrophobicContact CG2-CD1 4.13Å; I96-Y101 HydrophobicContact CG2-CE1 3.54Å; I96-Y101 HydrophobicContact CG2-CE2 4.28Å; I96-Y101 PolarHBondContact O-N 3.2Å; I97-Y101 HydrophobicContact CB-CD2 4.28Å; I97-Y101 HydrophobicContact CB-CE2 4.48Å; I97-Y101 HydrophobicContact CG1-CD2 4.01Å; I97-Y101 HydrophobicContact CG1-CE2 3.72Å; I97-Y101 HydrophobicContact CG2-CD2 4.5Å; H99-Y101 PolarHBondContact O-N 3.24Å; Y101-H104 PolarHBondContact O-N 3.34Å; Y101-I105 VanDerWaalsContact O-CB 3.29Å; Y101-I105 WeakPolarHBondContact O-CB 3.38Å; Y101-I105 VanDerWaalsContact O-CD1 3.23Å; Y101-I105 WeakPolarHBondContact O-CD1 3.38Å; Y101-I105 WeakPolarHBondContact O-CG1 3.34Å; Y101-I105 PolarHBondContact O-N 3.09Å
102V98.5Very high97.7Very high0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-61.2-48.3179.91760000111.1L82 H99 G100 A106 L119 T140 L144L82-V102 HydrophobicContact CB-CG2 4.24Å; L82-V102 HydrophobicContact CD1-CG2 4.45Å; H99-V102 PolarHBondContact O-N 3.24Å; G100-V102 VanDerWaalsContact C-N 3.3Å; G100-V102 PolarHBondContact O-N 3Å; V102-A106 WeakPolarHBondContact O-CB 3.48Å; V102-A106 PolarHBondContact O-N 2.91Å; V102-L119 HydrophobicContact CG1-CD1 3.78Å; V102-T140 HydrophobicContact CB-CG2 4.12Å; V102-T140 HydrophobicContact CG1-CG2 3.73Å; V102-L144 HydrophobicContact CG1-CD1 4.13Å
103I98.6Very high97.7Very high17 Ų1736.2 Ų36.29%0.08720%0.204CC..Hα-helixtrans-63.5-42.5177.7-63.2-57000110.9H99 G100 A106 K107 T140 D143 L144 L147H99-I103 VanDerWaalsContact O-CG1 3.32Å; H99-I103 WeakPolarHBondContact O-CG1 3.25Å; H99-I103 PolarHBondContact O-N 3.42Å; G100-I103 PolarHBondContact O-N 3.16Å; I103-A106 PolarHBondContact O-N 3.24Å; I103-K107 HydrophobicContact CG2-CD 4.37Å; I103-K107 WeakPolarHBondContact O-CG 3.47Å; I103-K107 PolarHBondContact O-N 3.39Å; I103-T140 HydrophobicContact CD1-CG2 4.39Å; I103-D143 HydrophobicContact CD1-CB 3.81Å; I103-L144 HydrophobicContact CD1-CD2 3.69Å; I103-L144 HydrophobicContact CD1-CG 3.63Å; I103-L147 HydrophobicContact CD1-CD1 4.42Å; I103-L147 HydrophobicContact CG2-CD1 3.79Å
104H98.2Very high97.8Very high54 Ų5430.8 Ų30.825%0.2518%0.18CC..Hα-helixtrans-66.6-45.8-178.9-161.5169000111.7L65 D66 G100 Y101 A106 K107 L108L65-H104 HydrophobicContact CD1-CB 3.8Å; D66-H104 VanDerWaalsContact CG-NE2 3.3Å; D66-H104 IonicContact OD1-CD2 3.31Å; D66-H104 IonicContact OD1-CE1 2.98Å; D66-H104 IonicContact OD1-NE2 2.62Å; D66-H104 PolarHBondContact OD1-NE2 3.29Å; D66-H104 IonicContact OD2-CE1 2.7Å; D66-H104 PolarHBondContact OD2-CE1 2.78Å; D66-H104 VanDerWaalsContact OD2-CE1 3.25Å; D66-H104 IonicContact OD2-NE2 3Å; D66-H104 PolarHBondContact OD2-NE2 3.31Å; G100-H104 WeakPolarHBondContact O-CB 3.13Å; G100-H104 PolarHBondContact O-N 2.98Å; Y101-H104 PolarHBondContact O-N 3.34Å; H104-A106 VanDerWaalsContact C-N 3.3Å; H104-A106 PolarHBondContact O-N 2.8Å; H104-K107 WeakPolarHBondContact O-CB 3.49Å; H104-K107 PolarHBondContact O-N 3.04Å; H104-K107 VanDerWaalsContact O-N 3.16Å; H104-L108 WeakPolarHBondContact O-CG 3.38Å; H104-L108 PolarHBondContact O-N 3.27Å
105I98.5Very high97.7Very high0 Ų035.6 Ų35.60%020%0.201CC..Hα-helixtrans-59.4-41.4174.3-70.1159.8000111.2F7 V9 F62 L65 F72 L82 Y101 K107 L108 S109 F117F7-I105 HydrophobicContact CE2-CG2 4.12Å; F7-I105 HydrophobicContact CZ-CG2 4.41Å; V9-I105 HydrophobicContact CB-CD1 4.38Å; V9-I105 HydrophobicContact CG1-CD1 4.13Å; V9-I105 HydrophobicContact CG1-CG2 4.33Å; V9-I105 HydrophobicContact CG2-CD1 4.25Å; V9-I105 HydrophobicContact CG2-CG2 4.37Å; F62-I105 HydrophobicContact CD1-CD1 4.09Å; F62-I105 HydrophobicContact CE1-CD1 3.72Å; L65-I105 HydrophobicContact CD1-CG1 4Å; L65-I105 HydrophobicContact CD2-CG1 3.91Å; F72-I105 HydrophobicContact CE1-CG2 3.73Å; F72-I105 HydrophobicContact CZ-CB 4.43Å; F72-I105 HydrophobicContact CZ-CG1 4.15Å; F72-I105 HydrophobicContact CZ-CG2 4.01Å; L82-I105 HydrophobicContact CD1-CD1 3.44Å; L82-I105 VanDerWaalsContact CD1-CD1 3.44Å; Y101-I105 VanDerWaalsContact O-CB 3.29Å; Y101-I105 WeakPolarHBondContact O-CB 3.38Å; Y101-I105 VanDerWaalsContact O-CD1 3.23Å; Y101-I105 WeakPolarHBondContact O-CD1 3.38Å; Y101-I105 WeakPolarHBondContact O-CG1 3.34Å; Y101-I105 PolarHBondContact O-N 3.09Å; I105-K107 VanDerWaalsContact C-N 3.34Å; I105-K107 PolarHBondContact O-N 3.44Å; I105-L108 PolarHBondContact O-N 3.13Å; I105-S109 VanDerWaalsContact O-CB 3.31Å; I105-S109 WeakPolarHBondContact O-CB 3.12Å; I105-S109 PolarHBondContact O-N 3.3Å; I105-S109 PolarHBondContact O-OG 3.4Å; I105-F117 HydrophobicContact CG2-CE2 4.08Å; I105-F117 HydrophobicContact CG2-CZ 4.31Å
106A98.5Very high97.7Very high0 Ų031.7 Ų31.70%019%0.186CC..Hα-helixtrans-61.5-43.1176.800000111.8V102 I103 H104 S109 S110 F117 L144 L149 F150V102-A106 WeakPolarHBondContact O-CB 3.48Å; V102-A106 PolarHBondContact O-N 2.91Å; I103-A106 PolarHBondContact O-N 3.24Å; H104-A106 VanDerWaalsContact C-N 3.3Å; H104-A106 PolarHBondContact O-N 2.8Å; A106-S109 PolarHBondContact O-OG 3.28Å; A106-S110 VanDerWaalsContact O-CB 3.29Å; A106-S110 WeakPolarHBondContact O-CB 3.39Å; A106-S110 PolarHBondContact O-N 2.95Å; A106-F117 HydrophobicContact CB-CE1 4.15Å; A106-F117 HydrophobicContact CB-CE2 4.38Å; A106-F117 HydrophobicContact CB-CZ 4.06Å; A106-L144 HydrophobicContact CB-CD2 3.37Å; A106-L149 HydrophobicContact CB-CD1 4.14Å; A106-F150 HydrophobicContact CB-CE2 3.96Å; A106-F150 HydrophobicContact CB-CZ 3.93Å; A106-F150 VanDerWaalsContact O-CZ 3.32Å; A106-F150 WeakPolarHBondContact O-CZ 3.47Å
107K98.4Very high97.7Very high100 Ų10028.3 Ų28.344%0.43517%0.169SC..Hα-helixtrans-62.7-49.7175.4-71.3174.6178.3-179.50112.2I103 H104 I105 S110 A111 L149I103-K107 HydrophobicContact CG2-CD 4.37Å; I103-K107 WeakPolarHBondContact O-CG 3.47Å; I103-K107 PolarHBondContact O-N 3.39Å; H104-K107 WeakPolarHBondContact O-CB 3.49Å; H104-K107 PolarHBondContact O-N 3.04Å; H104-K107 VanDerWaalsContact O-N 3.16Å; I105-K107 VanDerWaalsContact C-N 3.34Å; I105-K107 PolarHBondContact O-N 3.44Å; K107-S110 PolarHBondContact O-N 3.4Å; K107-A111 WeakPolarHBondContact O-CB 3.4Å; K107-A111 PolarHBondContact O-N 3.38Å; K107-L149 HydrophobicContact CB-CD1 4.48Å; K107-L149 HydrophobicContact CG-CD1 3.86Å
108L98.1Very high97.8Very high11 Ų1127.3 Ų27.36%0.05816%0.164CC..Hα-helixtrans-63.5-44.2-179-66.9-177.2000112L65 Q69 F72 H104 I105 A111 A112L65-L108 HydrophobicContact CB-CD1 3.89Å; L65-L108 VanDerWaalsContact O-CD1 3.23Å; L65-L108 WeakPolarHBondContact O-CD1 3.4Å; Q69-L108 HydrophobicContact CB-CD2 4.49Å; Q69-L108 HydrophobicContact CG-CD2 3.78Å; F72-L108 HydrophobicContact CD2-CB 3.73Å; F72-L108 HydrophobicContact CD2-CD1 4.46Å; F72-L108 HydrophobicContact CE2-CB 3.82Å; F72-L108 HydrophobicContact CE2-CD1 3.91Å; H104-L108 WeakPolarHBondContact O-CG 3.38Å; H104-L108 PolarHBondContact O-N 3.27Å; I105-L108 PolarHBondContact O-N 3.13Å; L108-A111 PolarHBondContact O-N 3.49Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 2.85Å
109S98.2Very high97.9Very high0 Ų027.3 Ų27.30%016%0.164CC..Hα-helixtrans-66.7-4117957.40000113.1I105 A106 A112 G113 C114I105-S109 VanDerWaalsContact O-CB 3.31Å; I105-S109 WeakPolarHBondContact O-CB 3.12Å; I105-S109 PolarHBondContact O-N 3.3Å; I105-S109 PolarHBondContact O-OG 3.4Å; A106-S109 PolarHBondContact O-OG 3.28Å; S109-A112 PolarHBondContact O-N 3.44Å; S109-G113 PolarHBondContact O-N 3.38Å; S109-C114 WeakPolarHBondContact O-CB 3.09Å; S109-C114 PolarHBondContact O-N 2.79Å
110S98.1Very high97.8Very high30 Ų3026.2 Ų26.221%0.2116%0.16CC..Hα-helixtrans-61.3-46.4172.6173.10000111.8A106 K107 A112 G113 L149A106-S110 VanDerWaalsContact O-CB 3.29Å; A106-S110 WeakPolarHBondContact O-CB 3.39Å; A106-S110 PolarHBondContact O-N 2.95Å; K107-S110 PolarHBondContact O-N 3.4Å; S110-A112 VanDerWaalsContact C-N 3.25Å; S110-A112 PolarHBondContact O-N 2.88Å; S110-G113 PolarHBondContact O-N 3.25Å; S110-L149 PolarHBondContact OG-O 3.48Å
111A97.4Very high97.8Very high90 Ų9024.9 Ų24.974%0.74415%0.146SC*.Hα-helixtrans-61-34.2176.600000112.6K107 L108 G113K107-A111 WeakPolarHBondContact O-CB 3.4Å; K107-A111 PolarHBondContact O-N 3.38Å; L108-A111 PolarHBondContact O-N 3.49Å; A111-G113 PolarHBondContact O-N 3.39Å
112A97.1Very high97.7Very high30 Ų3024 Ų2425%0.24815%0.145CC..THydrogen-bonded Turntrans-77.4-0.1174.900000114.2F72 Q73 L108 S109 S110F72-A112 HydrophobicContact CB-CB 3.77Å; Q73-A112 HydrophobicContact CG-CB 4.17Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 2.85Å; S109-A112 PolarHBondContact O-N 3.44Å; S110-A112 VanDerWaalsContact C-N 3.25Å; S110-A112 PolarHBondContact O-N 2.88Å
113G96.6Very high97.4Very high29 Ų2927.2 Ų27.230%0.29916%0.158SC..THydrogen-bonded Turntrans99.91.3173.300000115.8S109 S110 A111 K115S109-G113 PolarHBondContact O-N 3.38Å; S110-G113 PolarHBondContact O-N 3.25Å; A111-G113 PolarHBondContact O-N 3.39Å; G113-K115 VanDerWaalsContact O-CD 3.27Å; G113-K115 WeakPolarHBondContact O-CD 3.39Å; G113-K115 WeakPolarHBondContact O-CE 3.25Å; G113-K115 PolarHBondContact O-N 2.94Å; G113-K115 PolarHBondContact O-NZ 3.35Å
114C97.1Very high97.1Very high1 Ų129.3 Ų29.31%0.00718%0.178CC..  trans-57.3130.4175.6-170.50000110.5T75 G78 S109 E116T75-C114 WeakPolarHBondContact O-CA 3.35Å; G78-C114 PolarHBondContact N-SG 2.86Å; S109-C114 WeakPolarHBondContact O-CB 3.09Å; S109-C114 PolarHBondContact O-N 2.79Å; C114-E116 PolarHBondContact SG-O 3.01Å
115K94.9Very high97Very high104 Ų10427 Ų2745%0.45217%0.169SC..  trans-98.4-26.3-171.8-57.7-55.5179-162.20113D76 G113 P151 K152 C153D76-K115 PolarHBondContact O-N 3.06Å; D76-K115 VanDerWaalsContact O-N 3.15Å; G113-K115 VanDerWaalsContact O-CD 3.27Å; G113-K115 WeakPolarHBondContact O-CD 3.39Å; G113-K115 WeakPolarHBondContact O-CE 3.25Å; G113-K115 PolarHBondContact O-N 2.94Å; G113-K115 PolarHBondContact O-NZ 3.35Å; K115-P151 HydrophobicContact CD-CG 4.04Å; K115-K152 HydrophobicContact CB-CB 3.99Å; K115-K152 WeakPolarHBondContact O-CB 3.36Å; K115-K152 PolarHBondContact O-N 2.98Å; K115-C153 PolarHBondContact O-N 2.87Å
116E96.7Very high96.9Very high3 Ų330.6 Ų30.61%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-126.3139.4-179.1-56.4-175.5-128.600111.6D76 V77 G78 C114 H118 K152 C153D76-E116 PolarHBondContact O-N 3.32Å; V77-E116 WeakPolarHBondContact CA-O 3.35Å; V77-E116 HydrophobicContact CB-CB 4.47Å; V77-E116 HydrophobicContact CG1-CB 4.21Å; V77-E116 HydrophobicContact CG2-CB 4.2Å; G78-E116 PolarHBondContact N-O 2.8Å; C114-E116 PolarHBondContact SG-O 3.01Å; E116-H118 IonicContact OE2-NE2 3.89Å; E116-K152 HydrophobicContact CG-CB 3.99Å; E116-K152 HydrophobicContact CG-CD 3.75Å; E116-K152 HydrophobicContact CG-CG 3.91Å; E116-K152 VanDerWaalsContact OE1-CD 3.25Å; E116-K152 WeakPolarHBondContact OE1-CD 3.49Å; E116-K152 WeakPolarHBondContact OE1-CE 3.4Å; E116-K152 IonicContact OE1-NZ 2.74Å; E116-K152 PolarHBondContact OE1-NZ 3.05Å; E116-C153 CarbonylContact C-O 3.48Å; E116-C153 VanDerWaalsContact CA-O 3.22Å; E116-C153 WeakPolarHBondContact CA-O 3.39Å; E116-C153 HydrophobicContact CB-CB 4.09Å; E116-C153 HydrophobicContact CG-CB 3.76Å
117F98.4Very high96.8Very high0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-135.8131176.1-165.8-98000111.2F7 G78 C80 I105 A106 L119 L144 F150 C153 L154 A155F7-F117 HydrophobicContact CE2-CE2 4.27Å; F7-F117 HydrophobicContact CZ-CD2 4.13Å; F7-F117 AromaticContact CZ-CE2 3.91Å; F7-F117 HydrophobicContact CZ-CE2 3.91Å; G78-F117 CarbonylContact O-C 3.56Å; G78-F117 WeakPolarHBondContact O-CA 3.3Å; C80-F117 HydrophobicContact CB-CE1 3.9Å; C80-F117 HydrophobicContact CB-CE2 4.35Å; C80-F117 HydrophobicContact CB-CZ 3.59Å; I105-F117 HydrophobicContact CG2-CE2 4.08Å; I105-F117 HydrophobicContact CG2-CZ 4.31Å; A106-F117 HydrophobicContact CB-CE1 4.15Å; A106-F117 HydrophobicContact CB-CE2 4.38Å; A106-F117 HydrophobicContact CB-CZ 4.06Å; F117-L119 HydrophobicContact CE1-CB 4.49Å; F117-L144 HydrophobicContact CE1-CD1 4.43Å; F117-F150 HydrophobicContact CB-CD1 3.73Å; F117-F150 HydrophobicContact CB-CD2 3.42Å; F117-F150 VanDerWaalsContact CB-CD2 3.42Å; F117-F150 HydrophobicContact CB-CE1 3.55Å; F117-F150 HydrophobicContact CB-CE2 3.21Å; F117-F150 HydrophobicContact CB-CG 3.66Å; F117-F150 HydrophobicContact CB-CZ 3.28Å; F117-F150 AromaticContact CD1-CE2 3.91Å; F117-F150 HydrophobicContact CD1-CE2 3.91Å; F117-F150 HydrophobicContact CD1-CZ 4.2Å; F117-F150 HydrophobicContact CD2-CE1 4.08Å; F117-F150 HydrophobicContact CD2-CE2 4.11Å; F117-F150 AromaticContact CD2-CZ 3.55Å; F117-F150 HydrophobicContact CD2-CZ 3.55Å; F117-F150 HydrophobicContact CE2-CZ 4.39Å; F117-F150 HydrophobicContact CG-CD2 4.21Å; F117-F150 HydrophobicContact CG-CE1 4.08Å; F117-F150 AromaticContact CG-CE2 3.5Å; F117-F150 HydrophobicContact CG-CE2 3.5Å; F117-F150 AromaticContact CG-CZ 3.43Å; F117-F150 HydrophobicContact CG-CZ 3.43Å; F117-F150 VanDerWaalsContact CG-CZ 3.43Å; F117-C153 PolarHBondContact N-O 2.69Å; F117-L154 HydrophobicContact CB-CD1 4.32Å; F117-L154 HydrophobicContact CD1-CD1 4.03Å; F117-L154 CarbonylContact O-C 3.55Å; F117-L154 WeakPolarHBondContact O-CA 3.48Å; F117-A155 PolarHBondContact O-N 2.9Å
118H98.4Very high96.7Very high0 Ų036.5 Ų36.50%022%0.223CC..EExtended strand (participates in β ladder)trans-122.5104.4-168.3-70.3-106.4000109.1V77 G78 F79 C80 E116 A155 Y157 M202V77-H118 VanDerWaalsContact CG1-CD2 3.48Å; V77-H118 WeakPolarHBondContact CG1-CD2 3.25Å; G78-H118 PolarHBondContact O-N 3.38Å; F79-H118 HydrophobicContact CD1-CB 3.52Å; F79-H118 AromaticContact CD1-CG 3.92Å; F79-H118 HydrophobicContact CE1-CB 3.92Å; F79-H118 AromaticContact CE1-CG 3.78Å; F79-H118 HydrophobicContact CG-CB 4.49Å; C80-H118 PolarHBondContact N-O 3.29Å; E116-H118 IonicContact OE2-NE2 3.89Å; H118-A155 CarbonylContact C-O 3.46Å; H118-A155 VanDerWaalsContact CA-O 3.31Å; H118-A155 WeakPolarHBondContact CA-O 3.45Å; H118-A155 WeakPolarHBondContact ND1-CB 3.34Å; H118-Y157 HydrophobicContact CB-CE2 3.85Å; H118-Y157 AromaticContact ND1-CE2 3.64Å; H118-Y157 AromaticContact ND1-CZ 3.66Å; H118-Y157 PolarHBondContact ND1-OH 3.37Å; H118-M202 HydrophobicContact CB-CE 4.4Å
119L98.6Very high96.5Very high3 Ų337 Ų372%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-99.3127-178175.866000111.7C80 V102 F117 S121 T140 L144 A155 Y157C80-L119 HydrophobicContact CB-CD1 4.1Å; V102-L119 HydrophobicContact CG1-CD1 3.78Å; F117-L119 HydrophobicContact CE1-CB 4.49Å; L119-S121 PolarHBondContact O-N 3.29Å; L119-T140 HydrophobicContact CD2-CG2 4.11Å; L119-L144 HydrophobicContact CB-CD1 4.41Å; L119-L144 HydrophobicContact CD2-CD1 3.51Å; L119-L144 HydrophobicContact CG-CD1 4.44Å; L119-A155 PolarHBondContact N-O 3.28Å; L119-Y157 WeakPolarHBondContact O-CD2 3.44Å; L119-Y157 PolarHBondContact O-N 2.89Å
120V98.2Very high96.4Very high14 Ų1444.3 Ų44.39%0.08527%0.265CS..EExtended strand (participates in β ladder)trans-79.7109.3164.2-174.90000109.7T15 C80 A81 P159 L198 M202T15-V120 HydrophobicContact CG2-CG2 4.04Å; C80-V120 PolarHBondContact O-N 3.29Å; A81-V120 HydrophobicContact CB-CG2 4.15Å; V120-P159 HydrophobicContact CG1-CG 4.41Å; V120-L198 HydrophobicContact CG1-CD2 4.1Å; V120-M202 HydrophobicContact CG2-CE 3.57Å; V120-M202 HydrophobicContact CG2-SD 3.53Å; V120-M202 VanDerWaalsContact CG2-SD 3.53Å
121S97.6Very high96.3Very high4 Ų449.2 Ų49.23%0.02828%0.283CS..  trans-104.4-137.4173.1-170.30000110.4L119 E141 Y157L119-S121 PolarHBondContact O-N 3.29Å; S121-E141 WeakPolarHBondContact CB-OE1 3.22Å; S121-E141 PolarHBondContact OG-OE1 3.06Å; S121-Y157 CarbonylContact C-O 3.41Å; S121-Y157 VanDerWaalsContact CA-O 3.3Å; S121-Y157 WeakPolarHBondContact CA-O 3.29Å; S121-Y157 WeakPolarHBondContact CB-O 3.42Å; S121-Y157 PolarHBondContact N-O 2.88Å
122S94.6Very high96.2Very high15 Ų1546.5 Ų46.511%0.10525%0.254CS..  trans-151.7146.5-177.8-175.60000111.1A124 A125 Y133 R158S122-A124 PolarHBondContact O-N 3.11Å; S122-A125 VanDerWaalsContact O-CB 3.26Å; S122-A125 WeakPolarHBondContact O-CB 3.34Å; S122-A125 PolarHBondContact O-N 3.29Å; S122-A125 VanDerWaalsContact O-N 3.08Å; S122-Y133 WeakPolarHBondContact CB-OH 3.43Å; S122-Y133 WeakPolarHBondContact OG-CE1 3.04Å; S122-Y133 PolarHBondContact OG-OH 3.46Å; S122-R158 WeakPolarHBondContact O-CG 3.24Å
123K93.2Very high96Very high67 Ų6749.9 Ų49.929%0.29126%0.261SS..THydrogen-bonded Turntrans-50.7136.6164.3179.8166.4-178.8155.50110A125 P159 A160 L190K123-A125 PolarHBondContact O-N 3.34Å; K123-P159 WeakPolarHBondContact CB-O 3.35Å; K123-P159 PolarHBondContact N-O 3.38Å; K123-A160 HydrophobicContact CD-CB 3.84Å; K123-L190 PolarHBondContact NZ-O 3.48Å
124A93.1Very high96Very high61 Ų6150 Ų5050%0.50426%0.255SS..THydrogen-bonded Turntrans62.220.4-177.700000115.4S122 N126 L134S122-A124 PolarHBondContact O-N 3.11Å; A124-N126 PolarHBondContact O-N 3.13Å; A124-L134 HydrophobicContact CB-CD1 4.36Å
125A95.7Very high96Very high6 Ų652.8 Ų52.85%0.0527%0.268CS..  trans-53.7124.8166.900000109.8S122 K123 K137 E141S122-A125 VanDerWaalsContact O-CB 3.26Å; S122-A125 WeakPolarHBondContact O-CB 3.34Å; S122-A125 PolarHBondContact O-N 3.29Å; S122-A125 VanDerWaalsContact O-N 3.08Å; K123-A125 PolarHBondContact O-N 3.34Å; A125-K137 HydrophobicContact CB-CB 3.77Å; A125-E141 VanDerWaalsContact CB-OE1 3.27Å; A125-E141 WeakPolarHBondContact CB-OE1 3.41Å
126N96Very high96.1Very high75 Ų7547.9 Ų47.940%0.40125%0.246SC..  trans-158.1119-175.6178-3.5000109.3A124 T128 S129 L134 Q135A124-N126 PolarHBondContact O-N 3.13Å; N126-T128 PolarHBondContact ND2-OG1 3.11Å; N126-T128 PolarHBondContact O-N 2.93Å; N126-T128 VanDerWaalsContact O-N 3.07Å; N126-T128 PolarHBondContact OD1-N 3.31Å; N126-T128 PolarHBondContact OD1-OG1 2.87Å; N126-S129 WeakPolarHBondContact O-CB 3.31Å; N126-S129 PolarHBondContact O-N 3.47Å; N126-L134 CarbonylContact C-O 3.37Å; N126-L134 PolarHBondContact N-O 3.01Å; N126-L134 CarbonylContact O-C 3.59Å; N126-Q135 VanDerWaalsContact O-CA 3.26Å; N126-Q135 WeakPolarHBondContact O-CA 2.96Å
127K96.3Very high96.2Very high112 Ų11248.2 Ų48.249%0.48725%0.248SC..THydrogen-bonded Turntrans-60.5-16.9-179.166.9-179175.3-1740114.8Q135 E139 S142K127-Q135 WeakPolarHBondContact O-CG 3.42Å; K127-E139 HydrophobicContact CB-CG 3.98Å; K127-S142 PolarHBondContact NZ-OG 2.82Å; K127-S142 VanDerWaalsContact NZ-OG 3.12Å
128T96.3Very high96.2Very high111 Ų11148.4 Ų48.468%0.68125%0.25SC*.THydrogen-bonded Turntrans-100.36.9176.1660000113.5N126N126-T128 PolarHBondContact ND2-OG1 3.11Å; N126-T128 PolarHBondContact O-N 2.93Å; N126-T128 VanDerWaalsContact O-N 3.07Å; N126-T128 PolarHBondContact OD1-N 3.31Å; N126-T128 PolarHBondContact OD1-OG1 2.87Å
129S95.1Very high96.1Very high22 Ų2250.3 Ų50.315%0.15426%0.259CS..  trans-65.4141.1179.3-173.70000112.1N126 F131 Q135N126-S129 WeakPolarHBondContact O-CB 3.31Å; N126-S129 PolarHBondContact O-N 3.47Å; S129-F131 PolarHBondContact O-N 2.98Å; S129-F131 PolarHBondContact OG-N 2.96Å; S129-Q135 WeakPolarHBondContact O-CB 3.26Å
130I95.9Very high96.1Very high154 Ų15450.2 Ų50.279%0.7926%0.258SS*.SBendtrans-71.2-17.9170.663.6171.7000112.5
131F94.3Very high96.1Very high133 Ų13349.8 Ų49.858%0.58326%0.255SS*.SBendtrans-88.7110.1178.4-61.7-70.9000109.6S129 Y133 L134 Q135S129-F131 PolarHBondContact O-N 2.98Å; S129-F131 PolarHBondContact OG-N 2.96Å; F131-Y133 PolarHBondContact O-N 3.24Å; F131-L134 HydrophobicContact CB-CB 4.41Å; F131-L134 HydrophobicContact CB-CD1 4.26Å; F131-L134 HydrophobicContact CB-CG 4.33Å; F131-L134 HydrophobicContact CD2-CD1 4.23Å; F131-L134 PolarHBondContact O-N 2.93Å; F131-Q135 PolarHBondContact O-N 2.73Å
132F95.6Very high96.1Very high33 Ų3350.9 Ų50.915%0.14526%0.263CS..Hα-helixtrans-45.2-41.2-176.2175.1-102.1000114.5L86 K91 M94 L136L86-F132 HydrophobicContact CD1-CD1 4.44Å; K91-F132 HydrophobicContact CB-CE1 4.04Å; K91-F132 HydrophobicContact CB-CE2 4.25Å; K91-F132 HydrophobicContact CB-CZ 3.81Å; K91-F132 HydrophobicContact CD-CD2 4.34Å; K91-F132 HydrophobicContact CD-CE2 4.46Å; K91-F132 HydrophobicContact CD-CG 4.43Å; K91-F132 HydrophobicContact CG-CD1 4.14Å; K91-F132 HydrophobicContact CG-CE1 4.01Å; K91-F132 HydrophobicContact CG-CE2 4.41Å; K91-F132 HydrophobicContact CG-CG 4.4Å; K91-F132 HydrophobicContact CG-CZ 4.15Å; K91-F132 WeakPolarHBondContact O-CZ 3.03Å; M94-F132 HydrophobicContact CB-CE1 4.31Å; M94-F132 HydrophobicContact CG-CE1 4.24Å; M94-F132 HydrophobicContact SD-CE1 4.09Å; F132-L136 HydrophobicContact CE1-CD2 4.14Å; F132-L136 HydrophobicContact CZ-CD2 4.05Å; F132-L136 VanDerWaalsContact O-CB 3.23Å; F132-L136 WeakPolarHBondContact O-CB 3.31Å; F132-L136 PolarHBondContact O-N 3.37Å
133Y94.1Very high96.3Very high101 Ų10153.3 Ų53.340%0.39628%0.275SS..Hα-helixtrans-61.4-49.6177.7171.1-109.7000112.7M94 S122 F131 Q135 L136 K137M94-Y133 HydrophobicContact CE-CD2 3.54Å; M94-Y133 HydrophobicContact CE-CE2 4.06Å; S122-Y133 WeakPolarHBondContact CB-OH 3.43Å; S122-Y133 WeakPolarHBondContact OG-CE1 3.04Å; S122-Y133 PolarHBondContact OG-OH 3.46Å; F131-Y133 PolarHBondContact O-N 3.24Å; Y133-Q135 VanDerWaalsContact C-N 3.35Å; Y133-L136 PolarHBondContact O-N 2.9Å; Y133-K137 HydrophobicContact CD2-CG 4.41Å; Y133-K137 HydrophobicContact CE2-CG 4.01Å; Y133-K137 WeakPolarHBondContact O-CG 3.46Å; Y133-K137 PolarHBondContact O-N 3.46Å
134L96.2Very high96.5Very high32 Ų3250.2 Ų50.217%0.16826%0.261CS..Hα-helixtrans-70.8-35.6-179.7-62.1-179.8000111.3A124 N126 F131 G138A124-L134 HydrophobicContact CB-CD1 4.36Å; N126-L134 CarbonylContact C-O 3.37Å; N126-L134 PolarHBondContact N-O 3.01Å; N126-L134 CarbonylContact O-C 3.59Å; F131-L134 HydrophobicContact CB-CB 4.41Å; F131-L134 HydrophobicContact CB-CD1 4.26Å; F131-L134 HydrophobicContact CB-CG 4.33Å; F131-L134 HydrophobicContact CD2-CD1 4.23Å; F131-L134 PolarHBondContact O-N 2.93Å; L134-G138 PolarHBondContact O-N 2.9Å
135Q97.4Very high96.7Very high58 Ų5848.6 Ų48.627%0.27124%0.244SC..Hα-helixtrans-57-55.7172-166.4-168.1-9.700110.5N126 K127 S129 F131 Y133 K137 G138 E139N126-Q135 VanDerWaalsContact O-CA 3.26Å; N126-Q135 WeakPolarHBondContact O-CA 2.96Å; K127-Q135 WeakPolarHBondContact O-CG 3.42Å; S129-Q135 WeakPolarHBondContact O-CB 3.26Å; F131-Q135 PolarHBondContact O-N 2.73Å; Y133-Q135 VanDerWaalsContact C-N 3.35Å; Q135-K137 PolarHBondContact O-N 3.29Å; Q135-G138 PolarHBondContact O-N 2.82Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.49Å; Q135-E139 PolarHBondContact NE2-OE1 3.17Å; Q135-E139 WeakPolarHBondContact O-CG 3.04Å; Q135-E139 PolarHBondContact O-N 2.95Å
136L97.7Very high96.8Very high1 Ų152.7 Ų52.71%0.00527%0.272CS..Hα-helixtrans-60.9-44.4-177.9-176.863.9000112M94 R95 D98 H99 F132 Y133 G138 E139 T140M94-L136 HydrophobicContact CG-CD2 3.79Å; R95-L136 HydrophobicContact CB-CD1 4.23Å; R95-L136 HydrophobicContact CG-CD1 4.06Å; R95-L136 VanDerWaalsContact NH1-CD1 3.33Å; D98-L136 HydrophobicContact CB-CD2 3.81Å; D98-L136 HydrophobicContact CB-CG 4.37Å; H99-L136 HydrophobicContact CB-CD1 3.74Å; F132-L136 HydrophobicContact CE1-CD2 4.14Å; F132-L136 HydrophobicContact CZ-CD2 4.05Å; F132-L136 VanDerWaalsContact O-CB 3.23Å; F132-L136 WeakPolarHBondContact O-CB 3.31Å; F132-L136 PolarHBondContact O-N 3.37Å; Y133-L136 PolarHBondContact O-N 2.9Å; L136-G138 VanDerWaalsContact C-N 3.35Å; L136-G138 PolarHBondContact O-N 2.81Å; L136-E139 PolarHBondContact O-N 2.8Å; L136-T140 PolarHBondContact O-N 2.93Å; L136-T140 PolarHBondContact O-OG1 2.92Å; L136-T140 VanDerWaalsContact O-OG1 3.06Å
137K97.5Very high96.8Very high11 Ų1152.1 Ų52.15%0.04827%0.269CS..Hα-helixtrans-60.7-43.9175.7-71.8-64.8180-169.70111.8D98 A125 Y133 Q135 T140 E141D98-K137 VanDerWaalsContact OD1-CE 3.22Å; D98-K137 WeakPolarHBondContact OD1-CE 3.23Å; D98-K137 IonicContact OD1-NZ 3.3Å; D98-K137 PolarHBondContact OD1-NZ 2.79Å; A125-K137 HydrophobicContact CB-CB 3.77Å; Y133-K137 HydrophobicContact CD2-CG 4.41Å; Y133-K137 HydrophobicContact CE2-CG 4.01Å; Y133-K137 WeakPolarHBondContact O-CG 3.46Å; Y133-K137 PolarHBondContact O-N 3.46Å; Q135-K137 PolarHBondContact O-N 3.29Å; K137-T140 PolarHBondContact O-N 3Å; K137-E141 VanDerWaalsContact O-CG 3.31Å; K137-E141 WeakPolarHBondContact O-CG 3.43Å; K137-E141 PolarHBondContact O-N 3.47Å
138G97.8Very high96.8Very high4 Ų451 Ų514%0.04127%0.268CS..Hα-helixtrans-68-33.8176.700000113.9L134 Q135 L136 S142L134-G138 PolarHBondContact O-N 2.9Å; Q135-G138 PolarHBondContact O-N 2.82Å; L136-G138 VanDerWaalsContact C-N 3.35Å; L136-G138 PolarHBondContact O-N 2.81Å; G138-S142 WeakPolarHBondContact O-CB 3.45Å; G138-S142 PolarHBondContact O-N 2.99Å
139E97.9Very high96.8Very high39 Ų3947.5 Ų47.518%0.18225%0.245CC..Hα-helixtrans-62.1-49.3171.2-74.3170.7-176.800110.4R95 K127 Q135 L136 E141 S142 D143R95-E139 IonicContact CZ-OE2 3.6Å; R95-E139 IonicContact NH1-OE2 3.88Å; R95-E139 PolarHBondContact NH1-OE2 2.9Å; R95-E139 IonicContact NH2-OE1 2.71Å; R95-E139 IonicContact NH2-OE2 3.42Å; R95-E139 PolarHBondContact NH2-OE2 3.17Å; K127-E139 HydrophobicContact CB-CG 3.98Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.49Å; Q135-E139 PolarHBondContact NE2-OE1 3.17Å; Q135-E139 WeakPolarHBondContact O-CG 3.04Å; Q135-E139 PolarHBondContact O-N 2.95Å; L136-E139 PolarHBondContact O-N 2.8Å; E139-E141 PolarHBondContact O-N 3.3Å; E139-S142 PolarHBondContact O-N 3.41Å; E139-D143 PolarHBondContact O-N 2.87Å
140T98.5Very high96.9Very high2 Ų246.6 Ų46.61%0.01224%0.239CC..Hα-helixtrans-58.9-44.5177-550000112.2D98 H99 V102 I103 L119 L136 K137 L144D98-T140 PolarHBondContact O-OG1 3.33Å; H99-T140 WeakPolarHBondContact CA-OG1 3.24Å; H99-T140 WeakPolarHBondContact CB-OG1 3.46Å; H99-T140 PolarHBondContact CD2-OG1 2.98Å; V102-T140 HydrophobicContact CB-CG2 4.12Å; V102-T140 HydrophobicContact CG1-CG2 3.73Å; I103-T140 HydrophobicContact CD1-CG2 4.39Å; L119-T140 HydrophobicContact CD2-CG2 4.11Å; L136-T140 PolarHBondContact O-N 2.93Å; L136-T140 PolarHBondContact O-OG1 2.92Å; L136-T140 VanDerWaalsContact O-OG1 3.06Å; K137-T140 PolarHBondContact O-N 3Å; T140-L144 HydrophobicContact CG2-CD1 4.29Å; T140-L144 WeakPolarHBondContact O-CB 3.42Å; T140-L144 WeakPolarHBondContact O-CG 3.17Å; T140-L144 PolarHBondContact O-N 2.7Å
141E98.1Very high96.6Very high5 Ų543.8 Ų43.82%0.02323%0.23CC..Hα-helixtrans-60.2-50175.3-70.5177.2-17600111.6S121 A125 K137 E139 D143 L144 I145 I156 R158S121-E141 WeakPolarHBondContact CB-OE1 3.22Å; S121-E141 PolarHBondContact OG-OE1 3.06Å; A125-E141 VanDerWaalsContact CB-OE1 3.27Å; A125-E141 WeakPolarHBondContact CB-OE1 3.41Å; K137-E141 VanDerWaalsContact O-CG 3.31Å; K137-E141 WeakPolarHBondContact O-CG 3.43Å; K137-E141 PolarHBondContact O-N 3.47Å; E139-E141 PolarHBondContact O-N 3.3Å; E141-D143 VanDerWaalsContact C-N 3.3Å; E141-D143 PolarHBondContact O-N 3.2Å; E141-L144 PolarHBondContact O-N 2.85Å; E141-I145 WeakPolarHBondContact O-CB 3.45Å; E141-I145 WeakPolarHBondContact O-CD1 3.24Å; E141-I145 WeakPolarHBondContact O-CG1 3.47Å; E141-I145 PolarHBondContact O-N 2.93Å; E141-I156 HydrophobicContact CB-CD1 4.16Å; E141-I156 HydrophobicContact CG-CD1 4.12Å; E141-I156 HydrophobicContact CG-CG2 3.73Å; E141-I156 WeakPolarHBondContact OE1-CG2 3.42Å; E141-R158 IonicContact OE1-NE 3.29Å; E141-R158 PolarHBondContact OE1-NE 3.45Å; E141-R158 VanDerWaalsContact OE1-NE 3.14Å; E141-R158 IonicContact OE2-CZ 3.35Å; E141-R158 VanDerWaalsContact OE2-CZ 3.3Å; E141-R158 IonicContact OE2-NE 3.4Å; E141-R158 PolarHBondContact OE2-NE 2.91Å; E141-R158 VanDerWaalsContact OE2-NE 3.14Å; E141-R158 IonicContact OE2-NH2 2.77Å; E141-R158 PolarHBondContact OE2-NH2 2.94Å
142S97.5Very high96.6Very high26 Ų2642.6 Ų42.618%0.18223%0.225CC..Hα-helixtrans-58.6-41.5-178.7-172.80000112.1K127 G138 E139 S146K127-S142 PolarHBondContact NZ-OG 2.82Å; K127-S142 VanDerWaalsContact NZ-OG 3.12Å; G138-S142 WeakPolarHBondContact O-CB 3.45Å; G138-S142 PolarHBondContact O-N 2.99Å; E139-S142 PolarHBondContact O-N 3.41Å; S142-S146 VanDerWaalsContact O-CB 3.32Å; S142-S146 WeakPolarHBondContact O-CB 3.34Å; S142-S146 PolarHBondContact O-N 3.05Å; S142-S146 PolarHBondContact O-OG 3.36Å
143D98.1Very high96.5Very high66 Ų6641 Ų4135%0.35322%0.218SC..Hα-helixtrans-72-43.6-179.2-72.1-6000111.6H99 I103 E139 E141 I145 S146 L147H99-D143 IonicContact CD2-OD2 3.69Å; H99-D143 IonicContact CE1-OD2 3.31Å; H99-D143 PolarHBondContact CE1-OD2 3.34Å; H99-D143 IonicContact NE2-OD2 2.81Å; H99-D143 PolarHBondContact NE2-OD2 2.75Å; I103-D143 HydrophobicContact CD1-CB 3.81Å; E139-D143 PolarHBondContact O-N 2.87Å; E141-D143 VanDerWaalsContact C-N 3.3Å; E141-D143 PolarHBondContact O-N 3.2Å; D143-I145 VanDerWaalsContact C-N 3.32Å; D143-I145 PolarHBondContact O-N 3.34Å; D143-S146 PolarHBondContact O-N 2.67Å; D143-L147 VanDerWaalsContact O-CG 3.23Å; D143-L147 WeakPolarHBondContact O-CG 3.23Å; D143-L147 PolarHBondContact O-N 2.83Å
144L97.9Very high96.6Very high2 Ų236.4 Ų36.41%0.0120%0.2CC..Hα-helixtrans-59.2-43.4174.3-77.2176000112.3V102 I103 A106 F117 L119 T140 E141 S146 L147 N148 L154V102-L144 HydrophobicContact CG1-CD1 4.13Å; I103-L144 HydrophobicContact CD1-CD2 3.69Å; I103-L144 HydrophobicContact CD1-CG 3.63Å; A106-L144 HydrophobicContact CB-CD2 3.37Å; F117-L144 HydrophobicContact CE1-CD1 4.43Å; L119-L144 HydrophobicContact CB-CD1 4.41Å; L119-L144 HydrophobicContact CD2-CD1 3.51Å; L119-L144 HydrophobicContact CG-CD1 4.44Å; T140-L144 HydrophobicContact CG2-CD1 4.29Å; T140-L144 WeakPolarHBondContact O-CB 3.42Å; T140-L144 WeakPolarHBondContact O-CG 3.17Å; T140-L144 PolarHBondContact O-N 2.7Å; E141-L144 PolarHBondContact O-N 2.85Å; L144-S146 VanDerWaalsContact C-N 3.33Å; L144-L147 PolarHBondContact O-N 3.12Å; L144-N148 PolarHBondContact O-N 3.44Å; L144-L154 HydrophobicContact CB-CD2 3.95Å; L144-L154 HydrophobicContact CD1-CD1 4.5Å
145I97.2Very high96.7Very high27 Ų2734.9 Ų34.914%0.13819%0.192CC..Hα-helixtrans-62.4-44.6178.1-68.7167.2000110E141 D143 L147 N148 L154 I156 L223 P224 V227 I229E141-I145 WeakPolarHBondContact O-CB 3.45Å; E141-I145 WeakPolarHBondContact O-CD1 3.24Å; E141-I145 WeakPolarHBondContact O-CG1 3.47Å; E141-I145 PolarHBondContact O-N 2.93Å; D143-I145 VanDerWaalsContact C-N 3.32Å; D143-I145 PolarHBondContact O-N 3.34Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 3.23Å; I145-N148 PolarHBondContact O-N 3.18Å; I145-L154 HydrophobicContact CG1-CD2 4.08Å; I145-I156 HydrophobicContact CD1-CD1 3.91Å; I145-I156 HydrophobicContact CG1-CD1 3.95Å; I145-L223 HydrophobicContact CD1-CD2 4.03Å; I145-L223 HydrophobicContact CG2-CD2 4.13Å; I145-P224 HydrophobicContact CG2-CG 4.32Å; I145-V227 HydrophobicContact CD1-CG1 4.17Å; I145-V227 HydrophobicContact CG1-CG1 3.87Å; I145-V227 HydrophobicContact CG2-CG2 4.46Å; I145-I229 HydrophobicContact CD1-CD1 4.38Å
146S96.6Very high96.7Very high93 Ų9332.1 Ų32.165%0.6518%0.179SC*.Hα-helixtrans-68.7-30.8-177.3-61.70000112.9S142 D143 L144 N148S142-S146 VanDerWaalsContact O-CB 3.32Å; S142-S146 WeakPolarHBondContact O-CB 3.34Å; S142-S146 PolarHBondContact O-N 3.05Å; S142-S146 PolarHBondContact O-OG 3.36Å; D143-S146 PolarHBondContact O-N 2.67Å; L144-S146 VanDerWaalsContact C-N 3.33Å; S146-N148 VanDerWaalsContact C-N 3.3Å; S146-N148 PolarHBondContact O-N 3.28Å
147L97.1Very high96.7Very high63 Ų6332.1 Ų32.133%0.3318%0.179SC..Hα-helixtrans-71.4-23.1175.8-68.9165.6000113.2I103 D143 L144 I145 L149I103-L147 HydrophobicContact CD1-CD1 4.42Å; I103-L147 HydrophobicContact CG2-CD1 3.79Å; D143-L147 VanDerWaalsContact O-CG 3.23Å; D143-L147 WeakPolarHBondContact O-CG 3.23Å; D143-L147 PolarHBondContact O-N 2.83Å; L144-L147 PolarHBondContact O-N 3.12Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 3.23Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L147-L149 HydrophobicContact CB-CD1 3.93Å; L147-L149 HydrophobicContact CB-CD2 4.17Å; L147-L149 HydrophobicContact CB-CG 3.67Å; L147-L149 HydrophobicContact CD1-CD1 4.15Å; L147-L149 PolarHBondContact O-N 2.97Å
148N95.9Very high96.6Very high88 Ų8833.7 Ų33.747%0.47119%0.185SC..THydrogen-bonded Turntrans47.348.5175.9-167.932.2000114.6L144 I145 S146 N226L144-N148 PolarHBondContact O-N 3.44Å; I145-N148 PolarHBondContact O-N 3.18Å; S146-N148 VanDerWaalsContact C-N 3.3Å; S146-N148 PolarHBondContact O-N 3.28Å; N148-N226 PolarHBondContact OD1-ND2 2.94Å; N148-N226 PolarHBondContact OD1-OD1 3.31Å
149L97.1Very high96.5Very high38 Ų3833.7 Ų33.720%0.19918%0.184CC..  trans-83.4-23.1-167.5-64.8173.5000115.2A106 K107 S110 L147 P151A106-L149 HydrophobicContact CB-CD1 4.14Å; K107-L149 HydrophobicContact CB-CD1 4.48Å; K107-L149 HydrophobicContact CG-CD1 3.86Å; S110-L149 PolarHBondContact OG-O 3.48Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L147-L149 HydrophobicContact CB-CD1 3.93Å; L147-L149 HydrophobicContact CB-CD2 4.17Å; L147-L149 HydrophobicContact CB-CG 3.67Å; L147-L149 HydrophobicContact CD1-CD1 4.15Å; L147-L149 PolarHBondContact O-N 2.97Å; L149-P151 WeakPolarHBondContact O-CD 3.42Å
150F96.6Very high96.2Very high3 Ų332.4 Ų32.41%0.01318%0.18CC..  trans-112.498.2-166.9-61.7-70.8000110.9A106 F117 K152 C153 L154 N226A106-F150 HydrophobicContact CB-CE2 3.96Å; A106-F150 HydrophobicContact CB-CZ 3.93Å; A106-F150 VanDerWaalsContact O-CZ 3.32Å; A106-F150 WeakPolarHBondContact O-CZ 3.47Å; F117-F150 HydrophobicContact CB-CD1 3.73Å; F117-F150 HydrophobicContact CB-CD2 3.42Å; F117-F150 VanDerWaalsContact CB-CD2 3.42Å; F117-F150 HydrophobicContact CB-CE1 3.55Å; F117-F150 HydrophobicContact CB-CE2 3.21Å; F117-F150 HydrophobicContact CB-CG 3.66Å; F117-F150 HydrophobicContact CB-CZ 3.28Å; F117-F150 AromaticContact CD1-CE2 3.91Å; F117-F150 HydrophobicContact CD1-CE2 3.91Å; F117-F150 HydrophobicContact CD1-CZ 4.2Å; F117-F150 HydrophobicContact CD2-CE1 4.08Å; F117-F150 HydrophobicContact CD2-CE2 4.11Å; F117-F150 AromaticContact CD2-CZ 3.55Å; F117-F150 HydrophobicContact CD2-CZ 3.55Å; F117-F150 HydrophobicContact CE2-CZ 4.39Å; F117-F150 HydrophobicContact CG-CD2 4.21Å; F117-F150 HydrophobicContact CG-CE1 4.08Å; F117-F150 AromaticContact CG-CE2 3.5Å; F117-F150 HydrophobicContact CG-CE2 3.5Å; F117-F150 AromaticContact CG-CZ 3.43Å; F117-F150 HydrophobicContact CG-CZ 3.43Å; F117-F150 VanDerWaalsContact CG-CZ 3.43Å; F150-K152 PolarHBondContact O-N 2.72Å; F150-K152 VanDerWaalsContact O-N 3.14Å; F150-C153 VanDerWaalsContact CB-O 3.29Å; F150-C153 WeakPolarHBondContact CB-O 3.32Å; F150-L154 HydrophobicContact CD2-CB 4.39Å; F150-L154 HydrophobicContact CD2-CD1 4.19Å; F150-N226 PolarHBondContact O-ND2 2.62Å
151P90.4Very high95.7Very high95 Ų9537.1 Ų37.162%0.61721%0.209SC*.SBendtrans-65.6-21.9-169.725.7-35.7000113.8K115 L149K115-P151 HydrophobicContact CD-CG 4.04Å; L149-P151 WeakPolarHBondContact O-CD 3.42Å
152K92.7Very high95.2Very high107 Ų10739.5 Ų39.547%0.46522%0.222SC..SBendtrans-93.6-52.5177.5-174.3176.2174.1-161.60111.6K115 E116 F150K115-K152 HydrophobicContact CB-CB 3.99Å; K115-K152 WeakPolarHBondContact O-CB 3.36Å; K115-K152 PolarHBondContact O-N 2.98Å; E116-K152 HydrophobicContact CG-CB 3.99Å; E116-K152 HydrophobicContact CG-CD 3.75Å; E116-K152 HydrophobicContact CG-CG 3.91Å; E116-K152 VanDerWaalsContact OE1-CD 3.25Å; E116-K152 WeakPolarHBondContact OE1-CD 3.49Å; E116-K152 WeakPolarHBondContact OE1-CE 3.4Å; E116-K152 IonicContact OE1-NZ 2.74Å; E116-K152 PolarHBondContact OE1-NZ 3.05Å; F150-K152 PolarHBondContact O-N 2.72Å; F150-K152 VanDerWaalsContact O-N 3.14Å
153C94.1Very high94.6Very high1 Ų140.9 Ų40.91%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-158.6128.4-175.7-173.70000112.8K115 E116 F117 F150 N226K115-C153 PolarHBondContact O-N 2.87Å; E116-C153 CarbonylContact C-O 3.48Å; E116-C153 VanDerWaalsContact CA-O 3.22Å; E116-C153 WeakPolarHBondContact CA-O 3.39Å; E116-C153 HydrophobicContact CB-CB 4.09Å; E116-C153 HydrophobicContact CG-CB 3.76Å; F117-C153 PolarHBondContact N-O 2.69Å; F150-C153 VanDerWaalsContact CB-O 3.29Å; F150-C153 WeakPolarHBondContact CB-O 3.32Å; C153-N226 CarbonylContact C-O 3.4Å; C153-N226 WeakPolarHBondContact CA-O 3.46Å
154L97.2Very high93.6Very high4 Ų439.4 Ų39.42%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-108.1108.2153.7173.362.4000107.6F117 L144 I145 F150 I156 N226 V227 Y228F117-L154 HydrophobicContact CB-CD1 4.32Å; F117-L154 HydrophobicContact CD1-CD1 4.03Å; F117-L154 CarbonylContact O-C 3.55Å; F117-L154 WeakPolarHBondContact O-CA 3.48Å; L144-L154 HydrophobicContact CB-CD2 3.95Å; L144-L154 HydrophobicContact CD1-CD1 4.5Å; I145-L154 HydrophobicContact CG1-CD2 4.08Å; F150-L154 HydrophobicContact CD2-CB 4.39Å; F150-L154 HydrophobicContact CD2-CD1 4.19Å; L154-I156 HydrophobicContact CD1-CG1 4.47Å; L154-I156 HydrophobicContact CD2-CD1 4.32Å; L154-I156 HydrophobicContact CG-CD1 4.39Å; L154-I156 HydrophobicContact CG-CG1 4.31Å; L154-N226 PolarHBondContact N-O 3.24Å; L154-V227 HydrophobicContact CB-CG2 4.27Å; L154-V227 HydrophobicContact CD2-CG2 4.25Å; L154-V227 WeakPolarHBondContact O-CA 3.23Å; L154-Y228 PolarHBondContact O-N 3.13Å
155A96.6Very high91.7Very high0 Ų045.1 Ų45.10%026%0.261CS..EExtended strand (participates in β ladder)trans-101.8123.4177.300000110.5F117 H118 L119 Y157 Y228 F230F117-A155 PolarHBondContact O-N 2.9Å; H118-A155 CarbonylContact C-O 3.46Å; H118-A155 VanDerWaalsContact CA-O 3.31Å; H118-A155 WeakPolarHBondContact CA-O 3.45Å; H118-A155 WeakPolarHBondContact ND1-CB 3.34Å; L119-A155 PolarHBondContact N-O 3.28Å; A155-Y157 HydrophobicContact CB-CE2 3.8Å; A155-Y228 CarbonylContact C-O 3.56Å; A155-Y228 WeakPolarHBondContact CA-O 3.2Å; A155-F230 HydrophobicContact CB-CD2 4.3Å; A155-F230 HydrophobicContact CB-CE2 3.81Å
156I97.7Very high89.6Confident0 Ų049.5 Ų49.50%028%0.276CS..EExtended strand (participates in β ladder)trans-115.1120.2178.6-64.9168000108.1E141 I145 L154 R158 Y228 I229 F230E141-I156 HydrophobicContact CB-CD1 4.16Å; E141-I156 HydrophobicContact CG-CD1 4.12Å; E141-I156 HydrophobicContact CG-CG2 3.73Å; E141-I156 WeakPolarHBondContact OE1-CG2 3.42Å; I145-I156 HydrophobicContact CD1-CD1 3.91Å; I145-I156 HydrophobicContact CG1-CD1 3.95Å; L154-I156 HydrophobicContact CD1-CG1 4.47Å; L154-I156 HydrophobicContact CD2-CD1 4.32Å; L154-I156 HydrophobicContact CG-CD1 4.39Å; L154-I156 HydrophobicContact CG-CG1 4.31Å; I156-R158 HydrophobicContact CG2-CG 4.43Å; I156-Y228 PolarHBondContact N-O 3.1Å; I156-I229 HydrophobicContact CB-CG1 4.35Å; I156-I229 HydrophobicContact CD1-CG1 4.46Å; I156-I229 CarbonylContact O-C 3.57Å; I156-I229 WeakPolarHBondContact O-CA 3.28Å; I156-F230 PolarHBondContact O-N 3.31Å
157Y97.5Very high87Confident0 Ų050 Ų500%028%0.275CS..EExtended strand (participates in β ladder)trans-100.4124.8-179.7-58.2-92.2000109.6H118 L119 S121 A155 P159 L198 M202 A205 F230 I235 L238H118-Y157 HydrophobicContact CB-CE2 3.85Å; H118-Y157 AromaticContact ND1-CE2 3.64Å; H118-Y157 AromaticContact ND1-CZ 3.66Å; H118-Y157 PolarHBondContact ND1-OH 3.37Å; L119-Y157 WeakPolarHBondContact O-CD2 3.44Å; L119-Y157 PolarHBondContact O-N 2.89Å; S121-Y157 CarbonylContact C-O 3.41Å; S121-Y157 VanDerWaalsContact CA-O 3.3Å; S121-Y157 WeakPolarHBondContact CA-O 3.29Å; S121-Y157 WeakPolarHBondContact CB-O 3.42Å; S121-Y157 PolarHBondContact N-O 2.88Å; A155-Y157 HydrophobicContact CB-CE2 3.8Å; Y157-P159 WeakPolarHBondContact O-CD 3.44Å; Y157-L198 HydrophobicContact CD1-CD1 4.33Å; Y157-L198 HydrophobicContact CG-CD1 4.31Å; Y157-M202 HydrophobicContact CD1-CG 4.07Å; Y157-M202 HydrophobicContact CD2-CE 4.46Å; Y157-M202 HydrophobicContact CD2-CG 3.97Å; Y157-M202 HydrophobicContact CD2-SD 4.45Å; Y157-M202 HydrophobicContact CE1-CG 3.87Å; Y157-M202 HydrophobicContact CE2-CE 4.44Å; Y157-M202 HydrophobicContact CE2-CG 3.81Å; Y157-M202 HydrophobicContact CG-CG 4.11Å; Y157-A205 WeakPolarHBondContact OH-CB 3.43Å; Y157-F230 HydrophobicContact CD1-CB 4.06Å; Y157-F230 AromaticContact CD1-CD2 3.92Å; Y157-F230 HydrophobicContact CD1-CD2 3.92Å; Y157-F230 HydrophobicContact CD1-CG 4.36Å; Y157-F230 HydrophobicContact CE1-CB 4.45Å; Y157-F230 AromaticContact CE1-CD2 3.59Å; Y157-F230 HydrophobicContact CE1-CD2 3.59Å; Y157-F230 HydrophobicContact CE1-CE2 4.21Å; Y157-F230 HydrophobicContact CE1-CG 4.28Å; Y157-F230 AromaticContact CZ-CD2 3.96Å; Y157-I235 HydrophobicContact CD1-CG1 4.29Å; Y157-L238 HydrophobicContact CE1-CD1 4.18Å
158R96.5Very high84.4Confident45 Ų4554.9 Ų54.917%0.1730%0.296CS..  trans-110.469.8177.4-71.1-179.8170.8172.1-0.2110.8S122 E141 I156 I229 F230 E231 N232S122-R158 WeakPolarHBondContact O-CG 3.24Å; E141-R158 IonicContact OE1-NE 3.29Å; E141-R158 PolarHBondContact OE1-NE 3.45Å; E141-R158 VanDerWaalsContact OE1-NE 3.14Å; E141-R158 IonicContact OE2-CZ 3.35Å; E141-R158 VanDerWaalsContact OE2-CZ 3.3Å; E141-R158 IonicContact OE2-NE 3.4Å; E141-R158 PolarHBondContact OE2-NE 2.91Å; E141-R158 VanDerWaalsContact OE2-NE 3.14Å; E141-R158 IonicContact OE2-NH2 2.77Å; E141-R158 PolarHBondContact OE2-NH2 2.94Å; I156-R158 HydrophobicContact CG2-CG 4.43Å; R158-I229 HydrophobicContact CG-CG2 4.25Å; R158-F230 PolarHBondContact N-O 2.94Å; R158-E231 WeakPolarHBondContact CD-OE1 3.32Å; R158-E231 IonicContact CZ-OE1 3.72Å; R158-E231 IonicContact NE-OE1 3.75Å; R158-E231 IonicContact NH1-OE1 2.79Å; R158-E231 PolarHBondContact NH1-OE1 3.32Å; R158-N232 PolarHBondContact O-N 3.43Å
159P94.6Very high82Confident4 Ų451.9 Ų51.93%0.02628%0.282CS..  trans-65.9149.9178.331.2-36.9000110.8V120 K123 Y157 L162 T193 L198 N232 I235V120-P159 HydrophobicContact CG1-CG 4.41Å; K123-P159 WeakPolarHBondContact CB-O 3.35Å; K123-P159 PolarHBondContact N-O 3.38Å; Y157-P159 WeakPolarHBondContact O-CD 3.44Å; P159-L162 HydrophobicContact CB-CD2 3.99Å; P159-L162 HydrophobicContact CG-CD2 4.3Å; P159-T193 HydrophobicContact CB-CG2 4.08Å; P159-L198 HydrophobicContact CB-CD2 4.3Å; P159-L198 HydrophobicContact CG-CD2 4.12Å; P159-N232 WeakPolarHBondContact CA-OD1 3.46Å; P159-I235 HydrophobicContact CB-CD1 3.88Å
160A92.1Very high79.4Confident11 Ų1157.4 Ų57.49%0.09130%0.3CS..  trans-70.6-163.2163.100000110.4K123 L162 L191 T193 N232K123-A160 HydrophobicContact CD-CB 3.84Å; A160-L162 PolarHBondContact O-N 3.25Å; A160-L162 VanDerWaalsContact O-N 3.12Å; A160-L191 VanDerWaalsContact CB-C 3.48Å; A160-L191 WeakPolarHBondContact CB-O 3.19Å; A160-T193 PolarHBondContact N-OG1 3.13Å; A160-N232 HydrophobicContact CB-CB 4.38Å; A160-N232 WeakPolarHBondContact CB-ND2 3.27Å; A160-N232 PolarHBondContact N-OD1 3.48Å
161T88Confident77.1Confident102 Ų10264.2 Ų64.263%0.62634%0.336SS*.EExtended strand (participates in β ladder)trans-60121.1-178.4-54.80000110.6L163 L191 T192 T193T161-L163 PolarHBondContact O-N 3.19Å; T161-L191 PolarHBondContact N-O 3.45Å; T161-T192 CarbonylContact O-C 3.58Å; T161-T192 VanDerWaalsContact O-CA 3.23Å; T161-T192 WeakPolarHBondContact O-CA 3.44Å; T161-T193 PolarHBondContact O-N 2.98Å
162L88.1Confident75.1Confident55 Ų5564.2 Ų64.229%0.28834%0.335SS..EExtended strand (participates in β ladder)trans-69.6124.6-178.5-67.3174.9000111.3T15 P159 A160 T193 I195 L198T15-L162 WeakPolarHBondContact OG1-CD1 3.25Å; P159-L162 HydrophobicContact CB-CD2 3.99Å; P159-L162 HydrophobicContact CG-CD2 4.3Å; A160-L162 PolarHBondContact O-N 3.25Å; A160-L162 VanDerWaalsContact O-N 3.12Å; L162-T193 VanDerWaalsContact CA-O 3.31Å; L162-T193 WeakPolarHBondContact CA-O 3.39Å; L162-I195 HydrophobicContact CD1-CD1 4.47Å; L162-L198 HydrophobicContact CD1-CD2 4.47Å; L162-L198 HydrophobicContact CD2-CB 4.45Å; L162-L198 HydrophobicContact CD2-CD2 3.67Å
163L83.8Confident73.1Confident55 Ų5561.4 Ų61.429%0.28832%0.323SS..EExtended strand (participates in β ladder)trans-90.5111.3169.7-63.9174.8000108.8T161 T192 T193 I195T161-L163 PolarHBondContact O-N 3.19Å; L163-T192 HydrophobicContact CD1-CG2 3.88Å; L163-T192 HydrophobicContact CD2-CG2 3.93Å; L163-T192 HydrophobicContact CG-CG2 3.88Å; L163-T193 PolarHBondContact N-O 2.94Å; L163-I195 PolarHBondContact O-N 3.01Å; L163-I195 VanDerWaalsContact O-N 3.13Å
164C77.3Confident71.1Confident34 Ų3469.5 Ų69.523%0.2335%0.353CS..  trans-102.3136175.7-55.10000108.6R166C164-R166 PolarHBondContact O-N 3.12Å
165S59.4Low69.4Low122 Ų12272.2 Ų72.285%0.85338%0.376SS*.  trans-71.228.8-178.151.10000115.3
166R53.1Low67.5Low119 Ų11978.8 Ų78.845%0.44941%0.405SS..  trans-76.6136.6179.5-75.4-172.9176.5-152.2-8.8111.6E14 C164 E168 S169E14-R166 VanDerWaalsContact CD-CZ 3.49Å; E14-R166 VanDerWaalsContact CD-NE 3.27Å; E14-R166 IonicContact OE1-CZ 2.73Å; E14-R166 IonicContact OE1-NE 3.4Å; E14-R166 IonicContact OE1-NH2 2.69Å; E14-R166 PolarHBondContact OE1-NH2 2.92Å; E14-R166 IonicContact OE2-CZ 2.89Å; E14-R166 IonicContact OE2-NE 3.34Å; E14-R166 PolarHBondContact OE2-NE 3.43Å; E14-R166 IonicContact OE2-NH2 3.95Å; E14-R166 PolarHBondContact OE2-NH2 2.99Å; C164-R166 PolarHBondContact O-N 3.12Å; R166-E168 PolarHBondContact O-N 3.28Å; R166-S169 PolarHBondContact O-N 3Å; R166-S169 PolarHBondContact O-OG 3.28Å
167V42.1Very low65.5Low105 Ų10583.6 Ų83.664%0.63643%0.428SS*.THydrogen-bonded Turntrans-51.3-28.8177179.50000113.3S169 R170V167-S169 VanDerWaalsContact C-N 3.3Å; V167-S169 PolarHBondContact O-N 3.31Å; V167-R170 PolarHBondContact O-N 3.26Å
168E41.8Very low63.7Low165 Ų16589.5 Ų89.577%0.77146%0.458SS*.THydrogen-bonded Turntrans-68.1-21.8177.4-74.8179.5158.400114.5R166 R170R166-E168 PolarHBondContact O-N 3.28Å; E168-R170 VanDerWaalsContact C-N 3.32Å
169S44.5Very low62.2Low25 Ų2593.6 Ų93.618%0.17548%0.483CS..Hα-helixtrans-76.4-18.3176.569.20000112.4R166 V167 L171 T172 E173R166-S169 PolarHBondContact O-N 3Å; R166-S169 PolarHBondContact O-OG 3.28Å; V167-S169 VanDerWaalsContact C-N 3.3Å; V167-S169 PolarHBondContact O-N 3.31Å; S169-L171 VanDerWaalsContact C-N 3.27Å; S169-L171 PolarHBondContact O-N 2.86Å; S169-L171 VanDerWaalsContact O-N 3.1Å; S169-T172 PolarHBondContact O-N 3.16Å; S169-T172 PolarHBondContact O-OG1 3.2Å; S169-E173 WeakPolarHBondContact CB-OE2 3.31Å; S169-E173 WeakPolarHBondContact O-CA 3.02Å; S169-E173 WeakPolarHBondContact O-CB 3.46Å; S169-E173 PolarHBondContact O-N 2.63Å; S169-E173 PolarHBondContact OG-OE2 3Å
170R44Very low60.7Low153 Ų15395.9 Ų95.958%0.57749%0.494SS*.Hα-helixtrans-62.6-28.1-169-68-179.8-180175.80.2114.8V167 E168 R174V167-R170 PolarHBondContact O-N 3.26Å; E168-R170 VanDerWaalsContact C-N 3.32Å; R170-R174 WeakPolarHBondContact O-CB 3.41Å; R170-R174 WeakPolarHBondContact O-CD 3.3Å; R170-R174 WeakPolarHBondContact O-CG 3.36Å; R170-R174 PolarHBondContact O-N 2.8Å
171L47.6Very low58.9Low147 Ų147102 Ų10277%0.7752%0.519SS*.Hα-helixtrans-84-44.8178.9-76.4166.5000112.1S169 R174 A175S169-L171 VanDerWaalsContact C-N 3.27Å; S169-L171 PolarHBondContact O-N 2.86Å; S169-L171 VanDerWaalsContact O-N 3.1Å; L171-R174 PolarHBondContact O-N 3.47Å; L171-A175 PolarHBondContact O-N 2.83Å
172T49.4Very low57.5Low95 Ų95101.2 Ų101.258%0.58352%0.516SS*.Hα-helixtrans-76.4-36.7178.446.70000111.9S169 A175 F176S169-T172 PolarHBondContact O-N 3.16Å; S169-T172 PolarHBondContact O-OG1 3.2Å; T172-A175 PolarHBondContact O-N 3.17Å; T172-F176 WeakPolarHBondContact O-CB 3.26Å; T172-F176 PolarHBondContact O-N 3Å
173E50.6Low56.1Low48 Ų48104.9 Ų104.922%0.22453%0.529CS..Hα-helixtrans-59.2-42.9168.5-89.7-176.1115.900111S169 A175 F176 Q177S169-E173 WeakPolarHBondContact CB-OE2 3.31Å; S169-E173 WeakPolarHBondContact O-CA 3.02Å; S169-E173 WeakPolarHBondContact O-CB 3.46Å; S169-E173 PolarHBondContact O-N 2.63Å; S169-E173 PolarHBondContact OG-OE2 3Å; E173-A175 VanDerWaalsContact C-N 3.32Å; E173-A175 PolarHBondContact O-N 2.91Å; E173-F176 PolarHBondContact O-N 3.42Å; E173-Q177 WeakPolarHBondContact O-CA 3.04Å; E173-Q177 WeakPolarHBondContact O-CB 3.46Å; E173-Q177 WeakPolarHBondContact O-CG 3.49Å; E173-Q177 PolarHBondContact O-N 3.05Å; E173-Q177 PolarHBondContact OE1-NE2 2.5Å
174R51.8Low54.6Low171 Ų171104.3 Ų104.365%0.64553%0.532SS*.Hα-helixtrans-62.2-42.3179.1-85.5177177.8173.3-0.5111.6R170 L171 I178R170-R174 WeakPolarHBondContact O-CB 3.41Å; R170-R174 WeakPolarHBondContact O-CD 3.3Å; R170-R174 WeakPolarHBondContact O-CG 3.36Å; R170-R174 PolarHBondContact O-N 2.8Å; L171-R174 PolarHBondContact O-N 3.47Å; R174-I178 WeakPolarHBondContact O-CB 3.23Å; R174-I178 WeakPolarHBondContact O-CD1 3.47Å; R174-I178 WeakPolarHBondContact O-CG1 3.36Å; R174-I178 PolarHBondContact O-N 2.88Å
175A60.6Low53.6Low61 Ų61112.2 Ų112.250%0.50456%0.559SS.*Hα-helixtrans-66.1-46.5176.600000112.1L171 T172 E173 I178 L179L171-A175 PolarHBondContact O-N 2.83Å; T172-A175 PolarHBondContact O-N 3.17Å; E173-A175 VanDerWaalsContact C-N 3.32Å; E173-A175 PolarHBondContact O-N 2.91Å; A175-I178 PolarHBondContact O-N 3.01Å; A175-L179 WeakPolarHBondContact O-CB 3.26Å; A175-L179 PolarHBondContact O-N 2.8Å
176F56.9Low53.5Low138 Ų138113 Ų11361%0.60555%0.553SS**Hα-helixtrans-66.7-39.5177.5-112.4-106.1000112.5T172 E173 L179 L180T172-F176 WeakPolarHBondContact O-CB 3.26Å; T172-F176 PolarHBondContact O-N 3Å; E173-F176 PolarHBondContact O-N 3.42Å; F176-L179 PolarHBondContact O-N 3.14Å; F176-L180 HydrophobicContact CD1-CD1 3.41Å; F176-L180 VanDerWaalsContact CD1-CD1 3.41Å; F176-L180 HydrophobicContact CD1-CG 4.25Å; F176-L180 HydrophobicContact CE1-CD1 3.76Å; F176-L180 HydrophobicContact CG-CD1 4.44Å; F176-L180 WeakPolarHBondContact O-CB 3.27Å; F176-L180 WeakPolarHBondContact O-CG 3.36Å; F176-L180 PolarHBondContact O-N 3.14Å
177Q55.3Low54Low100 Ų100108.7 Ų108.747%0.46754%0.543SS..Hα-helixtrans-68.2-35.9176.4-73.8176.58.800111.4E173 K181E173-Q177 WeakPolarHBondContact O-CA 3.04Å; E173-Q177 WeakPolarHBondContact O-CB 3.46Å; E173-Q177 WeakPolarHBondContact O-CG 3.49Å; E173-Q177 PolarHBondContact O-N 3.05Å; E173-Q177 PolarHBondContact OE1-NE2 2.5Å; Q177-K181 VanDerWaalsContact O-CA 3.25Å; Q177-K181 WeakPolarHBondContact O-CA 3.35Å; Q177-K181 WeakPolarHBondContact O-CB 3.17Å; Q177-K181 WeakPolarHBondContact O-CG 3.43Å; Q177-K181 PolarHBondContact O-N 2.65Å
178I60.1Low54.7Low124 Ų124107.4 Ų107.464%0.63654%0.537SS*.Hα-helixtrans-67.5-46.2173.6-70.8164.2000110.3R174 A175R174-I178 WeakPolarHBondContact O-CB 3.23Å; R174-I178 WeakPolarHBondContact O-CD1 3.47Å; R174-I178 WeakPolarHBondContact O-CG1 3.36Å; R174-I178 PolarHBondContact O-N 2.88Å; A175-I178 PolarHBondContact O-N 3.01Å
179L64.5Low55.7Low132 Ų132102.2 Ų102.269%0.69152%0.516SS*.Hα-helixtrans-68.8-40.5-177.6-17367.7000112.5A175 F176A175-L179 WeakPolarHBondContact O-CB 3.26Å; A175-L179 PolarHBondContact O-N 2.8Å; F176-L179 PolarHBondContact O-N 3.14Å
180L62.8Low56.8Low51 Ų51104.8 Ų104.827%0.26753%0.528SS..Hα-helixtrans-96.4-1-176.7-60.2179000113.4F176 P182 F183 A184 L191F176-L180 HydrophobicContact CD1-CD1 3.41Å; F176-L180 VanDerWaalsContact CD1-CD1 3.41Å; F176-L180 HydrophobicContact CD1-CG 4.25Å; F176-L180 HydrophobicContact CE1-CD1 3.76Å; F176-L180 HydrophobicContact CG-CD1 4.44Å; F176-L180 WeakPolarHBondContact O-CB 3.27Å; F176-L180 WeakPolarHBondContact O-CG 3.36Å; F176-L180 PolarHBondContact O-N 3.14Å; L180-P182 VanDerWaalsContact C-N 3.3Å; L180-P182 VanDerWaalsContact O-N 3.13Å; L180-F183 CarbonylContact O-C 3.53Å; L180-F183 WeakPolarHBondContact O-CA 3.46Å; L180-F183 PolarHBondContact O-N 3.07Å; L180-A184 WeakPolarHBondContact O-CB 3.4Å; L180-A184 PolarHBondContact O-N 2.96Å; L180-L191 HydrophobicContact CD1-CD1 4.06Å
181K55.4Low58.4Low140 Ų140100.8 Ų100.861%0.60952%0.517SS*.Hα-helixtrans-45.2-45.4-178.2-124.7173.2-177-172.50114Q177 Y185Q177-K181 VanDerWaalsContact O-CA 3.25Å; Q177-K181 WeakPolarHBondContact O-CA 3.35Å; Q177-K181 WeakPolarHBondContact O-CB 3.17Å; Q177-K181 WeakPolarHBondContact O-CG 3.43Å; Q177-K181 PolarHBondContact O-N 2.65Å; K181-Y185 WeakPolarHBondContact O-CB 3.31Å; K181-Y185 PolarHBondContact O-N 3.01Å
182P59.1Low60.2Low86 Ų8695.7 Ų95.756%0.55849%0.492SS*.Hα-helixtrans-64.5-40.3177.2-19.231.7000112.6L180 L186L180-P182 VanDerWaalsContact C-N 3.3Å; L180-P182 VanDerWaalsContact O-N 3.13Å; P182-L186 WeakPolarHBondContact O-CG 3.1Å; P182-L186 PolarHBondContact O-N 2.95Å
183F58.6Low62.1Low131 Ų13191.2 Ų91.258%0.57547%0.465SS*.Hα-helixtrans-77-36.7-178.8-115-91.3000112.9L180 Y185 L186 A187L180-F183 CarbonylContact O-C 3.53Å; L180-F183 WeakPolarHBondContact O-CA 3.46Å; L180-F183 PolarHBondContact O-N 3.07Å; F183-Y185 VanDerWaalsContact C-N 3.3Å; F183-L186 PolarHBondContact O-N 3.32Å; F183-A187 PolarHBondContact O-N 2.89Å
184A52.7Low64.1Low43 Ų4390.7 Ų90.736%0.35547%0.465SS..Hα-helixtrans-68.6-30.1174.800000111.6L180 P188L180-A184 WeakPolarHBondContact O-CB 3.4Å; L180-A184 PolarHBondContact O-N 2.96Å; A184-P188 WeakPolarHBondContact O-CA 3.42Å; A184-P188 VanDerWaalsContact O-CB 3.24Å; A184-P188 WeakPolarHBondContact O-CB 3.37Å; A184-P188 VanDerWaalsContact O-CD 3.28Å; A184-P188 WeakPolarHBondContact O-CD 3.35Å; A184-P188 VanDerWaalsContact O-N 3.14Å
185Y56Low66.1Low200 Ų20083.3 Ų83.378%0.78444%0.439SS*.Hα-helixtrans-69.4-40.2171.3-175.1-98.8000112K181 F183K181-Y185 WeakPolarHBondContact O-CB 3.31Å; K181-Y185 PolarHBondContact O-N 3.01Å; F183-Y185 VanDerWaalsContact C-N 3.3Å
186L56Low67.6Low139 Ų13984.1 Ų84.173%0.72844%0.435SS*.Hα-helixtrans-78.4-30.5-178-70.4168.4000113.6P182 F183P182-L186 WeakPolarHBondContact O-CG 3.1Å; P182-L186 PolarHBondContact O-N 2.95Å; F183-L186 PolarHBondContact O-N 3.32Å
187A63.2Low69.3Low29 Ų2979.3 Ų79.324%0.2442%0.415CS..  trans-146.764.5-178.100000112F183 T189 L190F183-A187 PolarHBondContact O-N 2.89Å; A187-T189 PolarHBondContact O-N 2.77Å; A187-T189 VanDerWaalsContact O-N 3.12Å; A187-L190 HydrophobicContact CB-CB 3.77Å; A187-L190 HydrophobicContact CB-CD2 4.23Å; A187-L190 WeakPolarHBondContact O-CB 3.39Å; A187-L190 PolarHBondContact O-N 3.32Å
188P57.1Low71.3Confident78 Ų7874.6 Ų74.651%0.50639%0.393SS..Hα-helixtrans-59.5-28.8-173.420.7-31.3000113.4A184A184-P188 WeakPolarHBondContact O-CA 3.42Å; A184-P188 VanDerWaalsContact O-CB 3.24Å; A184-P188 WeakPolarHBondContact O-CB 3.37Å; A184-P188 VanDerWaalsContact O-CD 3.28Å; A184-P188 WeakPolarHBondContact O-CD 3.35Å; A184-P188 VanDerWaalsContact O-N 3.14Å
189T64.2Low73Confident55 Ų5568.7 Ų68.734%0.33736%0.362SS..Hα-helixtrans-88.41.6179.360.40000113.1A187 N232 F236A187-T189 PolarHBondContact O-N 2.77Å; A187-T189 VanDerWaalsContact O-N 3.12Å; T189-N232 PolarHBondContact O-ND2 3.12Å; T189-F236 HydrophobicContact CG2-CD1 3.95Å; T189-F236 HydrophobicContact CG2-CD2 3.59Å; T189-F236 HydrophobicContact CG2-CE1 4Å; T189-F236 HydrophobicContact CG2-CE2 3.67Å; T189-F236 HydrophobicContact CG2-CG 3.76Å; T189-F236 HydrophobicContact CG2-CZ 3.87Å
190L67.9Low74.4Confident80 Ų8067.1 Ų67.142%0.41935%0.35SS..Hα-helixtrans-86.4-38.5-175.4-169.570.2000112.5K123 A187K123-L190 PolarHBondContact NZ-O 3.48Å; A187-L190 HydrophobicContact CB-CB 3.77Å; A187-L190 HydrophobicContact CB-CD2 4.23Å; A187-L190 WeakPolarHBondContact O-CB 3.39Å; A187-L190 PolarHBondContact O-N 3.32Å
191L77Confident76Confident68 Ų6864.7 Ų64.736%0.35634%0.337SS..Hα-helixtrans-103-25.5-166.6-62.5177.3000113.6A160 T161 L180A160-L191 VanDerWaalsContact CB-C 3.48Å; A160-L191 WeakPolarHBondContact CB-O 3.19Å; T161-L191 PolarHBondContact N-O 3.45Å; L180-L191 HydrophobicContact CD1-CD1 4.06Å
192T85.5Confident77.9Confident41 Ų4158 Ų5825%0.25231%0.308SS..EExtended strand (participates in β ladder)trans-139.4156.6-170.553.80000112.4T161 L163 N232T161-T192 CarbonylContact O-C 3.58Å; T161-T192 VanDerWaalsContact O-CA 3.23Å; T161-T192 WeakPolarHBondContact O-CA 3.44Å; L163-T192 HydrophobicContact CD1-CG2 3.88Å; L163-T192 HydrophobicContact CD2-CG2 3.93Å; L163-T192 HydrophobicContact CG-CG2 3.88Å; T192-N232 PolarHBondContact O-ND2 3.37Å
193T89.9Confident79.7Confident0 Ų054 Ų540%028%0.283CS..EExtended strand (participates in β ladder)trans-135.5111.6174.2-390000107.5P159 A160 T161 L162 L163 I195 L198 N232 I235 F236P159-T193 HydrophobicContact CB-CG2 4.08Å; A160-T193 PolarHBondContact N-OG1 3.13Å; T161-T193 PolarHBondContact O-N 2.98Å; L162-T193 VanDerWaalsContact CA-O 3.31Å; L162-T193 WeakPolarHBondContact CA-O 3.39Å; L163-T193 PolarHBondContact N-O 2.94Å; T193-I195 PolarHBondContact O-N 2.68Å; T193-L198 HydrophobicContact CG2-CB 4.24Å; T193-N232 VanDerWaalsContact OG1-CG 3.31Å; T193-N232 PolarHBondContact OG1-ND2 3.08Å; T193-N232 PolarHBondContact OG1-OD1 3.09Å; T193-I235 HydrophobicContact CG2-CG2 4.02Å; T193-F236 HydrophobicContact CG2-CE2 4.49Å
194P91.9Very high81.4Confident37 Ų3748.2 Ų48.224%0.2426%0.258CS..EExtended strand (participates in β ladder)trans-57134.3170-22.633.7000110D196 I197 L198P194-D196 WeakPolarHBondContact CB-OD1 3.47Å; P194-D196 PolarHBondContact O-N 3.05Å; P194-I197 HydrophobicContact CB-CB 4.18Å; P194-I197 HydrophobicContact CB-CG1 3.79Å; P194-I197 HydrophobicContact CG-CG1 4.03Å; P194-I197 WeakPolarHBondContact O-CB 3.42Å; P194-I197 PolarHBondContact O-N 3.12Å; P194-I197 VanDerWaalsContact O-N 3.09Å; P194-L198 PolarHBondContact O-N 3.48Å; P194-L198 VanDerWaalsContact O-N 3.08Å
195I92.9Very high83.3Confident16 Ų1646.2 Ų46.28%0.08224%0.241CC..Hα-helixtrans-67.3-29-171.5-160.9164.5000113.1E14 T15 A18 L162 L163 T193 L198 A199E14-I195 HydrophobicContact CB-CD1 3.53Å; E14-I195 WeakPolarHBondContact O-CD1 3.43Å; T15-I195 VanDerWaalsContact N-CD1 3.32Å; A18-I195 HydrophobicContact CB-CG1 3.94Å; A18-I195 HydrophobicContact CB-CG2 4.16Å; L162-I195 HydrophobicContact CD1-CD1 4.47Å; L163-I195 PolarHBondContact O-N 3.01Å; L163-I195 VanDerWaalsContact O-N 3.13Å; T193-I195 PolarHBondContact O-N 2.68Å; I195-L198 PolarHBondContact O-N 3.26Å; I195-A199 WeakPolarHBondContact O-CB 3.35Å; I195-A199 PolarHBondContact O-N 3.35Å
196D92.5Very high85.1Confident78 Ų7837 Ų3742%0.41721%0.205SC..Hα-helixtrans-68.6-35.6172.863.4-52.4000112P194 A199 K200P194-D196 WeakPolarHBondContact CB-OD1 3.47Å; P194-D196 PolarHBondContact O-N 3.05Å; D196-A199 PolarHBondContact O-N 3Å; D196-K200 WeakPolarHBondContact O-CB 3.23Å; D196-K200 VanDerWaalsContact O-CG 3.29Å; D196-K200 WeakPolarHBondContact O-CG 3.38Å; D196-K200 PolarHBondContact O-N 3.24Å
197I93.8Very high86.8Confident38 Ų3832.2 Ų32.220%0.19518%0.179CC..Hα-helixtrans-66.4-45.7172.9-63.9-64.8000110.3P194 A199 K200 A201 I235 F236 A239P194-I197 HydrophobicContact CB-CB 4.18Å; P194-I197 HydrophobicContact CB-CG1 3.79Å; P194-I197 HydrophobicContact CG-CG1 4.03Å; P194-I197 WeakPolarHBondContact O-CB 3.42Å; P194-I197 PolarHBondContact O-N 3.12Å; P194-I197 VanDerWaalsContact O-N 3.09Å; I197-A199 VanDerWaalsContact C-N 3.34Å; I197-A199 PolarHBondContact O-N 3.47Å; I197-K200 PolarHBondContact O-N 2.89Å; I197-A201 WeakPolarHBondContact O-CB 3.38Å; I197-A201 PolarHBondContact O-N 3.28Å; I197-I235 HydrophobicContact CG2-CG2 4.38Å; I197-F236 HydrophobicContact CG2-CD1 3.83Å; I197-F236 HydrophobicContact CG2-CE1 4.06Å; I197-F236 HydrophobicContact CG2-CG 4.2Å; I197-A239 HydrophobicContact CD1-CB 4.47Å; I197-A239 HydrophobicContact CG2-CB 3.73Å; I197-A239 WeakPolarHBondContact O-CB 3.39Å
198L95.9Very high87.9Confident0 Ų030.9 Ų30.90%017%0.168CC..Hα-helixtrans-58.2-47.2173.4173.261.8000111.3T15 V120 Y157 P159 L162 T193 P194 I195 K200 A201 M202 I235T15-L198 HydrophobicContact CG2-CD2 3.74Å; T15-L198 HydrophobicContact CG2-CG 4.41Å; V120-L198 HydrophobicContact CG1-CD2 4.1Å; Y157-L198 HydrophobicContact CD1-CD1 4.33Å; Y157-L198 HydrophobicContact CG-CD1 4.31Å; P159-L198 HydrophobicContact CB-CD2 4.3Å; P159-L198 HydrophobicContact CG-CD2 4.12Å; L162-L198 HydrophobicContact CD1-CD2 4.47Å; L162-L198 HydrophobicContact CD2-CB 4.45Å; L162-L198 HydrophobicContact CD2-CD2 3.67Å; T193-L198 HydrophobicContact CG2-CB 4.24Å; P194-L198 PolarHBondContact O-N 3.48Å; P194-L198 VanDerWaalsContact O-N 3.08Å; I195-L198 PolarHBondContact O-N 3.26Å; L198-K200 PolarHBondContact O-N 3.46Å; L198-A201 WeakPolarHBondContact O-CB 3.12Å; L198-A201 PolarHBondContact O-N 3.48Å; L198-M202 HydrophobicContact CD1-CG 4.05Å; L198-M202 HydrophobicContact CD1-SD 3.93Å; L198-M202 HydrophobicContact CG-SD 4Å; L198-M202 VanDerWaalsContact O-CG 3.32Å; L198-M202 WeakPolarHBondContact O-CG 3.37Å; L198-M202 PolarHBondContact O-N 3.36Å; L198-I235 HydrophobicContact CB-CG2 4.36Å; L198-I235 HydrophobicContact CD1-CD1 4.15Å; L198-I235 HydrophobicContact CD1-CG2 4.1Å
199A95.8Very high88.6Confident0 Ų030.2 Ų30.20%017%0.165CC..Hα-helixtrans-59.7-47.4179.300000111.9A18 L19 A22 I195 D196 I197 A201 M202 T203A18-A199 VanDerWaalsContact C-CB 3.47Å; A18-A199 HydrophobicContact CB-CB 3.78Å; A18-A199 WeakPolarHBondContact O-CB 3.38Å; L19-A199 HydrophobicContact CD2-CB 4.21Å; L19-A199 HydrophobicContact CG-CB 4.36Å; A22-A199 HydrophobicContact CB-CB 3.95Å; I195-A199 WeakPolarHBondContact O-CB 3.35Å; I195-A199 PolarHBondContact O-N 3.35Å; D196-A199 PolarHBondContact O-N 3Å; I197-A199 VanDerWaalsContact C-N 3.34Å; I197-A199 PolarHBondContact O-N 3.47Å; A199-A201 PolarHBondContact O-N 2.78Å; A199-M202 PolarHBondContact O-N 3.47Å; A199-T203 WeakPolarHBondContact O-CG2 3.37Å; A199-T203 PolarHBondContact O-N 3.07Å; A199-T203 PolarHBondContact O-OG1 2.87Å
200K94.8Very high88.6Confident99 Ų9930.9 Ų30.943%0.4316%0.163SC..Hα-helixtrans-59.6-43.5175.8-76.1172.4179173.60112.5D196 I197 L198 M202 T203 N204 A239D196-K200 WeakPolarHBondContact O-CB 3.23Å; D196-K200 VanDerWaalsContact O-CG 3.29Å; D196-K200 WeakPolarHBondContact O-CG 3.38Å; D196-K200 PolarHBondContact O-N 3.24Å; I197-K200 PolarHBondContact O-N 2.89Å; L198-K200 PolarHBondContact O-N 3.46Å; K200-M202 VanDerWaalsContact C-N 3.31Å; K200-M202 PolarHBondContact O-N 3.41Å; K200-T203 WeakPolarHBondContact CA-OG1 3.19Å; K200-T203 PolarHBondContact O-N 3.43Å; K200-T203 PolarHBondContact O-OG1 3.18Å; K200-N204 VanDerWaalsContact O-CB 3.31Å; K200-N204 WeakPolarHBondContact O-CB 3.21Å; K200-N204 PolarHBondContact O-N 3.3Å; K200-A239 HydrophobicContact CB-CB 3.99Å
201A95.2Very high88.3Confident0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-58.8-45.117700000111.6I197 L198 A199 N204 A205 I235 L238 A239I197-A201 WeakPolarHBondContact O-CB 3.38Å; I197-A201 PolarHBondContact O-N 3.28Å; L198-A201 WeakPolarHBondContact O-CB 3.12Å; L198-A201 PolarHBondContact O-N 3.48Å; A199-A201 PolarHBondContact O-N 2.78Å; A201-N204 PolarHBondContact O-N 3.4Å; A201-A205 WeakPolarHBondContact O-CB 3.4Å; A201-A205 PolarHBondContact O-N 3.08Å; A201-I235 HydrophobicContact CB-CB 4.42Å; A201-I235 HydrophobicContact CB-CG2 3.67Å; A201-I235 VanDerWaalsContact CB-O 3.27Å; A201-I235 WeakPolarHBondContact CB-O 3.07Å; A201-L238 HydrophobicContact CB-CB 3.82Å; A201-A239 HydrophobicContact CB-CB 4.13Å
202M96.7Very high87.2Confident0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-65-42178.2-69.7177.668.900112.1L19 F79 H118 V120 Y157 L198 A199 K200 P206L19-M202 HydrophobicContact CD1-CE 3.75Å; L19-M202 HydrophobicContact CD1-SD 4.08Å; L19-M202 HydrophobicContact CD2-CB 3.67Å; L19-M202 HydrophobicContact CD2-CE 4.02Å; L19-M202 HydrophobicContact CD2-CG 4.36Å; L19-M202 HydrophobicContact CD2-SD 3.86Å; L19-M202 HydrophobicContact CG-CE 4.48Å; L19-M202 HydrophobicContact CG-SD 4.34Å; F79-M202 HydrophobicContact CB-CE 4.38Å; F79-M202 HydrophobicContact CD1-CB 4.38Å; F79-M202 HydrophobicContact CD1-CE 3.79Å; F79-M202 HydrophobicContact CE1-CB 4.22Å; F79-M202 WeakPolarHBondContact CE1-O 3.14Å; H118-M202 HydrophobicContact CB-CE 4.4Å; V120-M202 HydrophobicContact CG2-CE 3.57Å; V120-M202 HydrophobicContact CG2-SD 3.53Å; V120-M202 VanDerWaalsContact CG2-SD 3.53Å; Y157-M202 HydrophobicContact CD1-CG 4.07Å; Y157-M202 HydrophobicContact CD2-CE 4.46Å; Y157-M202 HydrophobicContact CD2-CG 3.97Å; Y157-M202 HydrophobicContact CD2-SD 4.45Å; Y157-M202 HydrophobicContact CE1-CG 3.87Å; Y157-M202 HydrophobicContact CE2-CE 4.44Å; Y157-M202 HydrophobicContact CE2-CG 3.81Å; Y157-M202 HydrophobicContact CG-CG 4.11Å; L198-M202 HydrophobicContact CD1-CG 4.05Å; L198-M202 HydrophobicContact CD1-SD 3.93Å; L198-M202 HydrophobicContact CG-SD 4Å; L198-M202 VanDerWaalsContact O-CG 3.32Å; L198-M202 WeakPolarHBondContact O-CG 3.37Å; L198-M202 PolarHBondContact O-N 3.36Å; A199-M202 PolarHBondContact O-N 3.47Å; K200-M202 VanDerWaalsContact C-N 3.31Å; K200-M202 PolarHBondContact O-N 3.41Å; M202-P206 VanDerWaalsContact O-CD 3.25Å; M202-P206 WeakPolarHBondContact O-CD 3.24Å
203T95.4Very high85.5Confident3 Ų333.9 Ų33.92%0.01818%0.175CC..Hα-helixtrans-72.2-28.6179.256.80000113.4L19 A22 L23 Y29 A199 K200L19-T203 HydrophobicContact CD2-CG2 4.39Å; A22-T203 HydrophobicContact CB-CG2 3.69Å; L23-T203 HydrophobicContact CD2-CG2 3.61Å; L23-T203 HydrophobicContact CG-CG2 3.62Å; Y29-T203 PolarHBondContact OH-O 2.98Å; A199-T203 WeakPolarHBondContact O-CG2 3.37Å; A199-T203 PolarHBondContact O-N 3.07Å; A199-T203 PolarHBondContact O-OG1 2.87Å; K200-T203 WeakPolarHBondContact CA-OG1 3.19Å; K200-T203 PolarHBondContact O-N 3.43Å; K200-T203 PolarHBondContact O-OG1 3.18Å
204N94.7Very high83.4Confident9 Ų938 Ų385%0.04820%0.197CC..Hα-helixtrans-79.5-34176.6-78.6-9.1000112.9R28 K200 A201 F207 S208 L238 E241R28-N204 PolarHBondContact NH2-OD1 2.94Å; K200-N204 VanDerWaalsContact O-CB 3.31Å; K200-N204 WeakPolarHBondContact O-CB 3.21Å; K200-N204 PolarHBondContact O-N 3.3Å; A201-N204 PolarHBondContact O-N 3.4Å; N204-F207 PolarHBondContact O-N 3.19Å; N204-S208 PolarHBondContact O-N 2.92Å; N204-L238 WeakPolarHBondContact CB-O 3.13Å; N204-L238 PolarHBondContact ND2-O 3.38Å; N204-E241 PolarHBondContact ND2-O 3.33Å
205A93.9Very high81Confident0 Ų044.5 Ų44.50%023%0.229CC..G310 helixtrans-51-47.3-171.500000114Y157 A201 F207 S208 L211 L238Y157-A205 WeakPolarHBondContact OH-CB 3.43Å; A201-A205 WeakPolarHBondContact O-CB 3.4Å; A201-A205 PolarHBondContact O-N 3.08Å; A205-F207 PolarHBondContact O-N 3.4Å; A205-S208 VanDerWaalsContact O-CB 3.26Å; A205-S208 WeakPolarHBondContact O-CB 3.37Å; A205-S208 PolarHBondContact O-N 3.23Å; A205-L211 HydrophobicContact CB-CD1 4.42Å; A205-L211 WeakPolarHBondContact O-CD1 3.03Å; A205-L238 HydrophobicContact CB-CD1 4.4Å; A205-L238 HydrophobicContact CB-CD2 4.5Å
206P93.2Very high78.4Confident6 Ų648.7 Ų48.74%0.03926%0.259CS..G310 helixtrans-56-19.8179-28.837.7000115.5L4 Y29 V77 F79 M202L4-P206 HydrophobicContact CD1-CB 3.85Å; Y29-P206 WeakPolarHBondContact OH-CG 3.34Å; V77-P206 HydrophobicContact CG1-CG 4.09Å; V77-P206 HydrophobicContact CG2-CB 4.34Å; V77-P206 HydrophobicContact CG2-CG 4.32Å; F79-P206 HydrophobicContact CZ-CG 4.32Å; M202-P206 VanDerWaalsContact O-CD 3.25Å; M202-P206 WeakPolarHBondContact O-CD 3.24Å
207F92.1Very high76.3Confident39 Ų3946.8 Ų46.817%0.17125%0.25CS..G310 helixtrans-102.6-14.1179.5-54.7-78.2000113.4L4 R28 Y29 N204 A205 S209L4-F207 HydrophobicContact CD1-CE1 3.71Å; L4-F207 HydrophobicContact CD1-CE2 4.16Å; L4-F207 HydrophobicContact CD1-CZ 3.43Å; L4-F207 VanDerWaalsContact CD1-CZ 3.43Å; L4-F207 HydrophobicContact CG-CE1 4.09Å; L4-F207 HydrophobicContact CG-CZ 3.93Å; R28-F207 HydrophobicContact CB-CE1 3.73Å; R28-F207 HydrophobicContact CB-CE2 3.82Å; R28-F207 HydrophobicContact CB-CZ 3.3Å; R28-F207 HydrophobicContact CG-CE1 4.36Å; R28-F207 HydrophobicContact CG-CZ 4.23Å; R28-F207 VanDerWaalsContact CZ-CD2 3.41Å; Y29-F207 HydrophobicContact CD2-CE2 4.47Å; Y29-F207 HydrophobicContact CE1-CE2 4.48Å; Y29-F207 AromaticContact CE2-CE2 3.66Å; Y29-F207 HydrophobicContact CE2-CE2 3.66Å; Y29-F207 HydrophobicContact CE2-CZ 4.25Å; Y29-F207 AromaticContact CZ-CE2 3.67Å; N204-F207 PolarHBondContact O-N 3.19Å; A205-F207 PolarHBondContact O-N 3.4Å; F207-S209 PolarHBondContact O-N 3.01Å
208S86Confident73.9Confident2 Ų249.2 Ų49.21%0.01426%0.261CS..  trans-57.7133.3-175.5-175.80000111.6N204 A205 K210 L211 E241N204-S208 PolarHBondContact O-N 2.92Å; A205-S208 VanDerWaalsContact O-CB 3.26Å; A205-S208 WeakPolarHBondContact O-CB 3.37Å; A205-S208 PolarHBondContact O-N 3.23Å; S208-K210 PolarHBondContact O-N 2.79Å; S208-K210 PolarHBondContact OG-N 2.98Å; S208-L211 PolarHBondContact O-N 2.93Å; S208-E241 WeakPolarHBondContact CA-OE2 3.13Å; S208-E241 WeakPolarHBondContact CB-OE2 3.08Å; S208-E241 VanDerWaalsContact OG-CD 3.29Å; S208-E241 PolarHBondContact OG-OE1 3.41Å; S208-E241 PolarHBondContact OG-OE2 3.34Å
209S71.2Confident71.7Confident63 Ų6357.3 Ų57.344%0.44130%0.299SS..Hα-helixtrans-63-25.1171.658.40000111.8F207 L211 K212 T213F207-S209 PolarHBondContact O-N 3.01Å; S209-L211 VanDerWaalsContact C-N 3.26Å; S209-L211 PolarHBondContact O-N 2.9Å; S209-K212 CarbonylContact O-C 3.58Å; S209-K212 WeakPolarHBondContact O-CA 3.4Å; S209-K212 PolarHBondContact O-N 2.8Å; S209-T213 PolarHBondContact O-N 2.62Å; S209-T213 PolarHBondContact O-OG1 3.38Å
210K63.5Low69.8Low69 Ų6962.4 Ų62.430%0.332%0.322SS..Hα-helixtrans-64.9-27.3175.3-70.2-177.2177.2177.70113.4S208S208-K210 PolarHBondContact O-N 2.79Å; S208-K210 PolarHBondContact OG-N 2.98Å
211L62.6Low68Low25 Ų2567.7 Ų67.713%0.13135%0.345CS..Hα-helixtrans-78.2-23.4169.8-67.9-170.9000112.3A205 S208 S209 Y228 F230A205-L211 HydrophobicContact CB-CD1 4.42Å; A205-L211 WeakPolarHBondContact O-CD1 3.03Å; S208-L211 PolarHBondContact O-N 2.93Å; S209-L211 VanDerWaalsContact C-N 3.26Å; S209-L211 PolarHBondContact O-N 2.9Å; L211-Y228 HydrophobicContact CD2-CD1 3.66Å; L211-Y228 HydrophobicContact CD2-CD2 3.51Å; L211-Y228 HydrophobicContact CD2-CE1 3.79Å; L211-Y228 HydrophobicContact CD2-CE2 3.65Å; L211-Y228 HydrophobicContact CD2-CG 3.52Å; L211-Y228 PolarHBondContact O-OH 2.95Å; L211-F230 HydrophobicContact CD2-CZ 3.85Å
212K53.5Low67.3Low143 Ų14372.2 Ų72.262%0.62238%0.377SS*.Hα-helixtrans-89.9-17.5-179.2-64.8177.1-179.9167.60113.5S209S209-K212 CarbonylContact O-C 3.58Å; S209-K212 WeakPolarHBondContact O-CA 3.4Å; S209-K212 PolarHBondContact O-N 2.8Å
213T49Very low66.8Low85 Ų8573.5 Ų73.552%0.52138%0.384SS..SBendtrans-10995.5-179.7-22.60000107.5S209 L215S209-T213 PolarHBondContact O-N 2.62Å; S209-T213 PolarHBondContact O-OG1 3.38Å; T213-L215 PolarHBondContact O-N 2.95Å
214D45.8Very low66.5Low86 Ų8675.3 Ų75.346%0.4640%0.395SS..THydrogen-bonded Turntrans-37.7123154.2-108.6-13000106.7K225D214-K225 IonicContact OD2-NZ 3.81Å
215L42.4Very low66.2Low174 Ų17481.8 Ų81.891%0.91142%0.423SS*.THydrogen-bonded Turntrans139.3-0.7148.9-66.2157.4000119.8T213T213-L215 PolarHBondContact O-N 2.95Å
216S38.5Very low66Low104 Ų10482.9 Ų82.973%0.72743%0.429SS*.SBendtrans-137.34-17558.60000120.4
217V47.7Very low66.1Low37 Ų3782.8 Ų82.822%0.22443%0.428CS..  trans-114.99.7173.4-168.20000113.2Q219V217-Q219 VanDerWaalsContact C-N 3.35Å; V217-Q219 PolarHBondContact O-N 2.93Å
218Q44.8Very low66.1Low90 Ų9082.3 Ų82.342%0.42143%0.426SS..  trans-81.185169.8-69.4-153.4-22.100110.2E220 L223 P224Q218-E220 PolarHBondContact O-N 3.23Å; Q218-L223 PolarHBondContact NE2-O 2.92Å; Q218-P224 PolarHBondContact NE2-O 3.25Å
219Q48.9Very low66.5Low170 Ų17083.4 Ų83.479%0.79443%0.431SS*.SBendtrans-65.6-13.8163.9-74.8-175.4-5.900111.8V217V217-Q219 VanDerWaalsContact C-N 3.35Å; V217-Q219 PolarHBondContact O-N 2.93Å
220E55.3Low67.6Low106 Ų10680.5 Ų80.550%0.49541%0.411SS..SBendtrans-127.3112.4172.8-75-178.8170.900110.7Q218 S222 L223Q218-E220 PolarHBondContact O-N 3.23Å; E220-S222 PolarHBondContact O-N 2.52Å; E220-L223 HydrophobicContact CB-CD1 4.36Å; E220-L223 HydrophobicContact CB-CG 4.24Å; E220-L223 PolarHBondContact O-N 3.38Å
221K58.3Low69.1Low210 Ų21079.6 Ų79.691%0.91341%0.407SS*.THydrogen-bonded Turntrans-57.9-4.9174.2-73.1-177.4177178.80114.3
222S80.2Confident70.4Confident96 Ų9678.6 Ų78.667%0.67140%0.402SS*.THydrogen-bonded Turntrans-94.8-9.2-176.748.10000114.7E220E220-S222 PolarHBondContact O-N 2.52Å
223L85.7Confident72.1Confident27 Ų2774.9 Ų74.914%0.14139%0.394CS..SBendtrans-82.2142.9-177.4-67.5175.6000112I145 Q218 E220 V227 I229I145-L223 HydrophobicContact CD1-CD2 4.03Å; I145-L223 HydrophobicContact CG2-CD2 4.13Å; Q218-L223 PolarHBondContact NE2-O 2.92Å; E220-L223 HydrophobicContact CB-CD1 4.36Å; E220-L223 HydrophobicContact CB-CG 4.24Å; E220-L223 PolarHBondContact O-N 3.38Å; L223-V227 HydrophobicContact CB-CB 4.49Å; L223-V227 HydrophobicContact CD1-CG1 4.38Å; L223-V227 HydrophobicContact CD2-CG1 4.28Å; L223-I229 HydrophobicContact CD1-CD1 3.84Å; L223-I229 HydrophobicContact CD1-CG1 4.16Å
224P89Confident74.1Confident40 Ų4072.1 Ų72.126%0.2638%0.376SS..  trans-54.1148.6168.5-22.732.7000111.6I145 Q218 N226 V227I145-P224 HydrophobicContact CG2-CG 4.32Å; Q218-P224 PolarHBondContact NE2-O 3.25Å; P224-N226 VanDerWaalsContact CB-OD1 3.23Å; P224-N226 WeakPolarHBondContact CB-OD1 3.43Å; P224-N226 PolarHBondContact O-N 3.07Å; P224-N226 VanDerWaalsContact O-N 3.16Å; P224-V227 HydrophobicContact CB-CG2 3.9Å; P224-V227 HydrophobicContact CG-CG2 4Å; P224-V227 WeakPolarHBondContact O-CB 3.37Å; P224-V227 PolarHBondContact O-N 2.64Å
225K88.3Confident76.3Confident145 Ų14568 Ų6863%0.6335%0.354SS*.THydrogen-bonded Turntrans-60.5-29.1-173.7-67.5-171.1173.6-165.80114.3D214 V227D214-K225 IonicContact OD2-NZ 3.81Å; K225-V227 VanDerWaalsContact C-N 3.3Å
226N91.1Very high78.6Confident23 Ų2362.2 Ų62.212%0.12332%0.322CS..THydrogen-bonded Turntrans-85.53.6179.257.5-41.8000113.3N148 F150 C153 L154 P224N148-N226 PolarHBondContact OD1-ND2 2.94Å; N148-N226 PolarHBondContact OD1-OD1 3.31Å; F150-N226 PolarHBondContact O-ND2 2.62Å; C153-N226 CarbonylContact C-O 3.4Å; C153-N226 WeakPolarHBondContact CA-O 3.46Å; L154-N226 PolarHBondContact N-O 3.24Å; P224-N226 VanDerWaalsContact CB-OD1 3.23Å; P224-N226 WeakPolarHBondContact CB-OD1 3.43Å; P224-N226 PolarHBondContact O-N 3.07Å; P224-N226 VanDerWaalsContact O-N 3.16Å
227V93.5Very high81.1Confident4 Ų461.3 Ų61.32%0.02431%0.309CS..EExtended strand (participates in β ladder)trans-106.3128.6-178.4175.60000110.3I145 L154 L223 P224 K225I145-V227 HydrophobicContact CD1-CG1 4.17Å; I145-V227 HydrophobicContact CG1-CG1 3.87Å; I145-V227 HydrophobicContact CG2-CG2 4.46Å; L154-V227 HydrophobicContact CB-CG2 4.27Å; L154-V227 HydrophobicContact CD2-CG2 4.25Å; L154-V227 WeakPolarHBondContact O-CA 3.23Å; L223-V227 HydrophobicContact CB-CB 4.49Å; L223-V227 HydrophobicContact CD1-CG1 4.38Å; L223-V227 HydrophobicContact CD2-CG1 4.28Å; P224-V227 HydrophobicContact CB-CG2 3.9Å; P224-V227 HydrophobicContact CG-CG2 4Å; P224-V227 WeakPolarHBondContact O-CB 3.37Å; P224-V227 PolarHBondContact O-N 2.64Å; K225-V227 VanDerWaalsContact C-N 3.3Å
228Y93.2Very high83.2Confident29 Ų2959.7 Ų59.711%0.11430%0.298CS..EExtended strand (participates in β ladder)trans-128.4125179.7-56.6-93.9000109.7L154 A155 I156 L211 F230L154-Y228 PolarHBondContact O-N 3.13Å; A155-Y228 CarbonylContact C-O 3.56Å; A155-Y228 WeakPolarHBondContact CA-O 3.2Å; I156-Y228 PolarHBondContact N-O 3.1Å; L211-Y228 HydrophobicContact CD2-CD1 3.66Å; L211-Y228 HydrophobicContact CD2-CD2 3.51Å; L211-Y228 HydrophobicContact CD2-CE1 3.79Å; L211-Y228 HydrophobicContact CD2-CE2 3.65Å; L211-Y228 HydrophobicContact CD2-CG 3.52Å; L211-Y228 PolarHBondContact O-OH 2.95Å; Y228-F230 HydrophobicContact CG-CZ 4.37Å
229I94.6Very high85.4Confident25 Ų2556.1 Ų56.113%0.12829%0.285CS..EExtended strand (participates in β ladder)trans-108.5115.6172.4-58-179.5000107.2I145 I156 R158 L223I145-I229 HydrophobicContact CD1-CD1 4.38Å; I156-I229 HydrophobicContact CB-CG1 4.35Å; I156-I229 HydrophobicContact CD1-CG1 4.46Å; I156-I229 CarbonylContact O-C 3.57Å; I156-I229 WeakPolarHBondContact O-CA 3.28Å; R158-I229 HydrophobicContact CG-CG2 4.25Å; L223-I229 HydrophobicContact CD1-CD1 3.84Å; L223-I229 HydrophobicContact CD1-CG1 4.16Å
230F93.8Very high87.3Confident3 Ų352 Ų521%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-97.7105.6178-61.7-63.4000109.3A155 I156 Y157 R158 L211 Y228 D234 I235 L238A155-F230 HydrophobicContact CB-CD2 4.3Å; A155-F230 HydrophobicContact CB-CE2 3.81Å; I156-F230 PolarHBondContact O-N 3.31Å; Y157-F230 HydrophobicContact CD1-CB 4.06Å; Y157-F230 AromaticContact CD1-CD2 3.92Å; Y157-F230 HydrophobicContact CD1-CD2 3.92Å; Y157-F230 HydrophobicContact CD1-CG 4.36Å; Y157-F230 HydrophobicContact CE1-CB 4.45Å; Y157-F230 AromaticContact CE1-CD2 3.59Å; Y157-F230 HydrophobicContact CE1-CD2 3.59Å; Y157-F230 HydrophobicContact CE1-CE2 4.21Å; Y157-F230 HydrophobicContact CE1-CG 4.28Å; Y157-F230 AromaticContact CZ-CD2 3.96Å; R158-F230 PolarHBondContact N-O 2.94Å; L211-F230 HydrophobicContact CD2-CZ 3.85Å; Y228-F230 HydrophobicContact CG-CZ 4.37Å; F230-D234 HydrophobicContact CB-CB 4.01Å; F230-D234 HydrophobicContact CD1-CB 3.91Å; F230-D234 HydrophobicContact CG-CB 4.45Å; F230-I235 HydrophobicContact CB-CG1 4.41Å; F230-L238 HydrophobicContact CB-CD1 4.43Å; F230-L238 HydrophobicContact CD1-CD1 3.59Å; F230-L238 HydrophobicContact CD2-CD1 3.97Å; F230-L238 HydrophobicContact CE1-CD1 3.7Å; F230-L238 HydrophobicContact CE1-CG 4.46Å; F230-L238 HydrophobicContact CE2-CD1 4.06Å; F230-L238 HydrophobicContact CG-CD1 3.72Å; F230-L238 HydrophobicContact CZ-CD1 3.92Å
231E93.9Very high88.6Confident49 Ų4949.1 Ų49.123%0.22926%0.261CS..  trans-71.6169.8172.6-69-62.2158.600110.2R158 S233 D234 I235R158-E231 WeakPolarHBondContact CD-OE1 3.32Å; R158-E231 IonicContact CZ-OE1 3.72Å; R158-E231 IonicContact NE-OE1 3.75Å; R158-E231 IonicContact NH1-OE1 2.79Å; R158-E231 PolarHBondContact NH1-OE1 3.32Å; E231-S233 PolarHBondContact O-N 2.69Å; E231-D234 PolarHBondContact N-OD2 3.38Å; E231-D234 WeakPolarHBondContact O-CB 3.4Å; E231-D234 PolarHBondContact O-N 3.41Å; E231-I235 PolarHBondContact O-N 3.3Å
232N91Very high88.8Confident5 Ų545.3 Ų45.33%0.02725%0.25CS..Hα-helixtrans-56.3-36.4-170-159.846.3000113.9R158 P159 A160 T189 T192 T193 I235 F236R158-N232 PolarHBondContact O-N 3.43Å; P159-N232 WeakPolarHBondContact CA-OD1 3.46Å; A160-N232 HydrophobicContact CB-CB 4.38Å; A160-N232 WeakPolarHBondContact CB-ND2 3.27Å; A160-N232 PolarHBondContact N-OD1 3.48Å; T189-N232 PolarHBondContact O-ND2 3.12Å; T192-N232 PolarHBondContact O-ND2 3.37Å; T193-N232 VanDerWaalsContact OG1-CG 3.31Å; T193-N232 PolarHBondContact OG1-ND2 3.08Å; T193-N232 PolarHBondContact OG1-OD1 3.09Å; N232-I235 WeakPolarHBondContact O-CB 3.4Å; N232-I235 PolarHBondContact O-N 3.35Å; N232-F236 WeakPolarHBondContact O-CD2 3.05Å
233S88.8Confident88Confident64 Ų6445.3 Ų45.345%0.44824%0.238SC..Hα-helixtrans-64.6-38175.445.80000113.1E231 I235 F236 L237E231-S233 PolarHBondContact O-N 2.69Å; S233-I235 VanDerWaalsContact C-N 3.27Å; S233-I235 PolarHBondContact O-N 3.35Å; S233-F236 PolarHBondContact O-N 2.93Å; S233-L237 PolarHBondContact O-N 2.68Å
234D91.1Very high86.1Confident28 Ų2850.9 Ų50.915%0.1527%0.268CS..Hα-helixtrans-66.7-32.9-179.9-55.6-52.9000111.3F230 E231 F236 L237 L238F230-D234 HydrophobicContact CB-CB 4.01Å; F230-D234 HydrophobicContact CD1-CB 3.91Å; F230-D234 HydrophobicContact CG-CB 4.45Å; E231-D234 PolarHBondContact N-OD2 3.38Å; E231-D234 WeakPolarHBondContact O-CB 3.4Å; E231-D234 PolarHBondContact O-N 3.41Å; D234-F236 VanDerWaalsContact C-N 3.34Å; D234-F236 PolarHBondContact O-N 3.5Å; D234-L237 PolarHBondContact O-N 2.73Å; D234-L238 WeakPolarHBondContact O-CB 3.25Å; D234-L238 WeakPolarHBondContact O-CG 3.44Å; D234-L238 PolarHBondContact O-N 2.95Å
235I92.6Very high83.9Confident0 Ų057.5 Ų57.50%030%0.3CS..Hα-helixtrans-59.9-44.4176-61.2172.8000110.6Y157 P159 T193 I197 L198 A201 F230 E231 N232 S233 L237 A239Y157-I235 HydrophobicContact CD1-CG1 4.29Å; P159-I235 HydrophobicContact CB-CD1 3.88Å; T193-I235 HydrophobicContact CG2-CG2 4.02Å; I197-I235 HydrophobicContact CG2-CG2 4.38Å; L198-I235 HydrophobicContact CB-CG2 4.36Å; L198-I235 HydrophobicContact CD1-CD1 4.15Å; L198-I235 HydrophobicContact CD1-CG2 4.1Å; A201-I235 HydrophobicContact CB-CB 4.42Å; A201-I235 HydrophobicContact CB-CG2 3.67Å; A201-I235 VanDerWaalsContact CB-O 3.27Å; A201-I235 WeakPolarHBondContact CB-O 3.07Å; F230-I235 HydrophobicContact CB-CG1 4.41Å; E231-I235 PolarHBondContact O-N 3.3Å; N232-I235 WeakPolarHBondContact O-CB 3.4Å; N232-I235 PolarHBondContact O-N 3.35Å; S233-I235 VanDerWaalsContact C-N 3.27Å; S233-I235 PolarHBondContact O-N 3.35Å; I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 3.34Å; I235-A239 WeakPolarHBondContact O-CB 3.41Å; I235-A239 PolarHBondContact O-N 3.41Å
236F90.9Very high83.7Confident52 Ų5253.2 Ų53.223%0.22828%0.283CS..Hα-helixtrans-64.3-39.7176.2-74.2-91.7000111.9T189 T193 I197 N232 S233 D234 A239 S240T189-F236 HydrophobicContact CG2-CD1 3.95Å; T189-F236 HydrophobicContact CG2-CD2 3.59Å; T189-F236 HydrophobicContact CG2-CE1 4Å; T189-F236 HydrophobicContact CG2-CE2 3.67Å; T189-F236 HydrophobicContact CG2-CG 3.76Å; T189-F236 HydrophobicContact CG2-CZ 3.87Å; T193-F236 HydrophobicContact CG2-CE2 4.49Å; I197-F236 HydrophobicContact CG2-CD1 3.83Å; I197-F236 HydrophobicContact CG2-CE1 4.06Å; I197-F236 HydrophobicContact CG2-CG 4.2Å; N232-F236 WeakPolarHBondContact O-CD2 3.05Å; S233-F236 PolarHBondContact O-N 2.93Å; D234-F236 VanDerWaalsContact C-N 3.34Å; D234-F236 PolarHBondContact O-N 3.5Å; F236-A239 PolarHBondContact O-N 3.43Å; F236-S240 PolarHBondContact O-N 2.74Å
237L90Very high83.3Confident85 Ų8554.7 Ų54.745%0.44529%0.292SS..Hα-helixtrans-64-50.3177.8-66.7174.4000111.2S233 D234 I235 A239 S240 E241S233-L237 PolarHBondContact O-N 2.68Å; D234-L237 PolarHBondContact O-N 2.73Å; I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 3.34Å; L237-A239 VanDerWaalsContact C-N 3.3Å; L237-A239 PolarHBondContact O-N 3.05Å; L237-S240 PolarHBondContact O-N 2.9Å; L237-S240 PolarHBondContact O-OG 3.31Å; L237-E241 PolarHBondContact O-N 3.01Å
238L91.4Very high82.7Confident2 Ų257.6 Ų57.61%0.0131%0.306CS..Hα-helixtrans-59.2-39.6177.8-76.7172.3000112.5Y157 A201 N204 A205 F230 D234 S240 E241Y157-L238 HydrophobicContact CE1-CD1 4.18Å; A201-L238 HydrophobicContact CB-CB 3.82Å; N204-L238 WeakPolarHBondContact CB-O 3.13Å; N204-L238 PolarHBondContact ND2-O 3.38Å; A205-L238 HydrophobicContact CB-CD1 4.4Å; A205-L238 HydrophobicContact CB-CD2 4.5Å; F230-L238 HydrophobicContact CB-CD1 4.43Å; F230-L238 HydrophobicContact CD1-CD1 3.59Å; F230-L238 HydrophobicContact CD2-CD1 3.97Å; F230-L238 HydrophobicContact CE1-CD1 3.7Å; F230-L238 HydrophobicContact CE1-CG 4.46Å; F230-L238 HydrophobicContact CE2-CD1 4.06Å; F230-L238 HydrophobicContact CG-CD1 3.72Å; F230-L238 HydrophobicContact CZ-CD1 3.92Å; D234-L238 WeakPolarHBondContact O-CB 3.25Å; D234-L238 WeakPolarHBondContact O-CG 3.44Å; D234-L238 PolarHBondContact O-N 2.95Å; L238-S240 PolarHBondContact O-N 2.9Å; L238-E241 PolarHBondContact O-N 2.81Å
239A91.7Very high82.1Confident16 Ų1659.2 Ų59.213%0.13232%0.318CS..Hα-helixtrans-64.8-25.8177.500000113I197 K200 A201 I235 F236 L237I197-A239 HydrophobicContact CD1-CB 4.47Å; I197-A239 HydrophobicContact CG2-CB 3.73Å; I197-A239 WeakPolarHBondContact O-CB 3.39Å; K200-A239 HydrophobicContact CB-CB 3.99Å; A201-A239 HydrophobicContact CB-CB 4.13Å; I235-A239 WeakPolarHBondContact O-CB 3.41Å; I235-A239 PolarHBondContact O-N 3.41Å; F236-A239 PolarHBondContact O-N 3.43Å; L237-A239 VanDerWaalsContact C-N 3.3Å; L237-A239 PolarHBondContact O-N 3.05Å
240S88.1Confident81.3Confident82 Ų8261.4 Ų61.457%0.57333%0.33SS*.Hα-helixtrans-88.1-8.9179.171.90000114.4F236 L237 L238 N242F236-S240 PolarHBondContact O-N 2.74Å; L237-S240 PolarHBondContact O-N 2.9Å; L237-S240 PolarHBondContact O-OG 3.31Å; L238-S240 PolarHBondContact O-N 2.9Å; S240-N242 PolarHBondContact O-N 2.92Å
241E84Confident80.5Confident47 Ų4765.3 Ų65.322%0.2235%0.351CS..SBendtrans-64.8121.7176.8-67.5-177.4-176.500109.9N204 S208 L237 L238N204-E241 PolarHBondContact ND2-O 3.33Å; S208-E241 WeakPolarHBondContact CA-OE2 3.13Å; S208-E241 WeakPolarHBondContact CB-OE2 3.08Å; S208-E241 VanDerWaalsContact OG-CD 3.29Å; S208-E241 PolarHBondContact OG-OE1 3.41Å; S208-E241 PolarHBondContact OG-OE2 3.34Å; L237-E241 PolarHBondContact O-N 3.01Å; L238-E241 PolarHBondContact O-N 2.81Å
242N62Low79.5Confident129 Ų12966.4 Ų66.469%0.6936%0.359SS*.  trans-60.8145.9-176.9-78.7-25.8000111.4S240 D244S240-N242 PolarHBondContact O-N 2.92Å; N242-D244 PolarHBondContact O-N 3.3Å
243K62.2Low78.6Confident97 Ų9771.2 Ų71.242%0.42239%0.385SS..SBendtrans-70.5-4.2176.8-69.7-176.1173.9-179.70113.5D25 I245D25-K243 PolarHBondContact O-NZ 3.03Å; K243-I245 VanDerWaalsContact C-N 3.32Å; K243-I245 PolarHBondContact O-N 2.87Å; K243-I245 VanDerWaalsContact O-N 3.11Å
244D47Very low77.8Confident143 Ų14371.8 Ų71.877%0.76538%0.38SS*.  trans-87.441.8-165.9-56.3-43.8000115N242N242-D244 PolarHBondContact O-N 3.3Å
245I42.5Very low76.6Confident180 Ų18075.7 Ų75.792%0.92340%0.401SS*.  trans-114.10165.7-51.2177.6000109.8K243K243-I245 VanDerWaalsContact C-N 3.32Å; K243-I245 PolarHBondContact O-N 2.87Å; K243-I245 VanDerWaalsContact O-N 3.11Å

Retrieved 245 of 245 residues in 53.8 ms (Link to these results)

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