A0A077Z103_TRITR Loading...

ATP bind 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z103, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 188 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
1M82.6Confident90.9Very high187 Ų18786.1 Ų86.192%0.92148%0.483SS*.  01390-72.3-177.2-93.900108.4A11 L21M1-A11 PolarHBondContact O-N 3.41Å; M1-L21 HydrophobicContact CB-CD1 3.93Å; M1-L21 HydrophobicContact CE-CD1 4.2Å; M1-L21 HydrophobicContact CG-CD1 4.25Å; M1-L21 HydrophobicContact SD-CD1 3.37Å; M1-L21 WeakPolarHBondContact SD-CD1 3.47Å
2Q90.7Very high90.9Very high127 Ų12783.8 Ų83.859%0.59348%0.483SS*.BIsolated β-bridgetrans-81.4162.3177.4-73.9177.6-30.500110.7D4 A7Q2-D4 PolarHBondContact O-N 2.76Å; Q2-A7 VanDerWaalsContact CD-O 3.25Å; Q2-A7 PolarHBondContact NE2-O 3.24Å; Q2-A7 PolarHBondContact OE1-O 2.81Å
3C92.7Very high90.6Very high2 Ų279.5 Ų79.51%0.01446%0.459CS..  trans-65.6124.2172.61780000111K5 C6 A7 E9 L21 C23 C26C3-K5 PolarHBondContact O-N 3.3Å; C3-K5 VanDerWaalsContact O-N 3.11Å; C3-K5 PolarHBondContact SG-N 3.48Å; C3-K5 VanDerWaalsContact SG-N 3.44Å; C3-C6 WeakPolarHBondContact CB-SG 3.19Å; C3-A7 VanDerWaalsContact O-CA 3.27Å; C3-A7 WeakPolarHBondContact O-CA 3.43Å; C3-A7 PolarHBondContact O-N 3.11Å; C3-E9 VanDerWaalsContact CB-O 3.32Å; C3-E9 WeakPolarHBondContact CB-O 3.39Å; C3-E9 PolarHBondContact N-O 2.96Å; C3-L21 CarbonylContact C-O 3.55Å; C3-L21 WeakPolarHBondContact CA-O 3.27Å; C3-C23 HydrophobicContact CB-CB 3.84Å; C3-C23 PolarHBondContact SG-N 3.09Å; C3-C26 VanDerWaalsContact SG-SG 3.66Å
4D92.4Very high90.4Very high105 Ų10586.1 Ų86.156%0.56147%0.473SS*.THydrogen-bonded Turntrans-60.8-20.9177.6-66.3-9.9000112.9Q2 A20 L21Q2-D4 PolarHBondContact O-N 2.76Å; D4-A20 HydrophobicContact CB-CB 4.48Å; D4-A20 VanDerWaalsContact OD2-CA 3.25Å; D4-A20 WeakPolarHBondContact OD2-CA 3.37Å; D4-L21 WeakPolarHBondContact CB-O 3.33Å; D4-L21 PolarHBondContact N-O 3.13Å; D4-L21 PolarHBondContact OD2-N 3.47Å
5K91.5Very high89.9Confident114 Ų11482.7 Ų82.750%0.49645%0.45SS..THydrogen-bonded Turntrans-92.9-44.4-178.3-175.7170.5-179.91730113.9C3 L22 C26C3-K5 PolarHBondContact O-N 3.3Å; C3-K5 VanDerWaalsContact O-N 3.11Å; C3-K5 PolarHBondContact SG-N 3.48Å; C3-K5 VanDerWaalsContact SG-N 3.44Å; K5-L22 HydrophobicContact CB-CD2 3.68Å; K5-C26 HydrophobicContact CB-CB 4.12Å; K5-C26 HydrophobicContact CD-CB 4.02Å; K5-C26 HydrophobicContact CG-CB 4.43Å
6C94.1Very high89.1Confident47 Ų4782.1 Ų82.132%0.31845%0.451SS..THydrogen-bonded Turntrans-109.7-15.3-175.567.30000114.6C3 S8 C23C3-C6 WeakPolarHBondContact CB-SG 3.19Å; C6-S8 PolarHBondContact O-N 2.85Å; C6-S8 PolarHBondContact SG-OG 3.06Å; C6-C23 VanDerWaalsContact SG-SG 3.68Å
7A92Very high88.2Confident57 Ų5785.2 Ų85.247%0.47146%0.455SS..SBendtrans53.7-0.6-173.500000116.4Q2 C3Q2-A7 VanDerWaalsContact CD-O 3.25Å; Q2-A7 PolarHBondContact NE2-O 3.24Å; Q2-A7 PolarHBondContact OE1-O 2.81Å; C3-A7 VanDerWaalsContact O-CA 3.27Å; C3-A7 WeakPolarHBondContact O-CA 3.43Å; C3-A7 PolarHBondContact O-N 3.11Å
8S92.2Very high87.7Confident94 Ų9485.2 Ų85.266%0.65748%0.479SS*.SBendtrans-96.7-35.5-173.459.80000113.7C6C6-S8 PolarHBondContact O-N 2.85Å; C6-S8 PolarHBondContact SG-OG 3.06Å
9E91.2Very high87.6Confident85 Ų8581.8 Ų81.840%0.39747%0.465SS..SBendtrans-107.9150-177.3-66.7-171.2128.300111.3C3 A11 C23 S25C3-E9 VanDerWaalsContact CB-O 3.32Å; C3-E9 WeakPolarHBondContact CB-O 3.39Å; C3-E9 PolarHBondContact N-O 2.96Å; E9-A11 PolarHBondContact O-N 3.25Å; E9-C23 HydrophobicContact CB-CB 3.5Å; E9-C23 PolarHBondContact OE2-SG 2.97Å; E9-S25 PolarHBondContact OE2-OG 3.5Å
10P90.9Very high87.6Confident100 Ų10079.3 Ų79.365%0.64946%0.455SS*.BIsolated β-bridgetrans-61.6138172.326.4-33.5000110.5A12 C23P10-A12 PolarHBondContact O-N 3Å; P10-C23 WeakPolarHBondContact O-CB 3.35Å
11A90.1Very high87.8Confident29 Ų2977.3 Ų77.324%0.2444%0.442CS..  trans-64.8135.3173.600000110.3M1 E9 L21M1-A11 PolarHBondContact O-N 3.41Å; E9-A11 PolarHBondContact O-N 3.25Å; A11-L21 HydrophobicContact CB-CB 3.65Å
12A90Very high88.2Confident58 Ų5868.9 Ų68.948%0.47940%0.401SS..  trans-114.5-26.8-179.500000112.3P10 L22 K24P10-A12 PolarHBondContact O-N 3Å; A12-L22 PolarHBondContact N-O 3.02Å; A12-K24 HydrophobicContact CB-CG 3.73Å
13V87.8Confident88.4Confident29 Ų2962.9 Ų62.918%0.17637%0.373CS..EExtended strand (participates in β ladder)trans-138.4138.8-174.9-176.10000109.6L22 F27 A181V13-L22 PolarHBondContact N-O 2.97Å; V13-L22 PolarHBondContact O-N 2.87Å; V13-F27 HydrophobicContact CB-CD2 4.14Å; V13-F27 HydrophobicContact CB-CG 4.31Å; V13-F27 HydrophobicContact CG1-CD2 3.86Å; V13-F27 HydrophobicContact CG1-CE2 3.85Å; V13-F27 HydrophobicContact CG1-CG 4.4Å; V13-F27 HydrophobicContact CG1-CZ 4.4Å; V13-F27 HydrophobicContact CG2-CG 4.48Å; V13-A181 HydrophobicContact CG2-CB 3.88Å
14R86.9Confident88.2Confident172 Ų17267.6 Ų67.665%0.64939%0.393SS*.EExtended strand (participates in β ladder)trans-94.4124.1168.7-169.4176.1-172.6-171.3-1.9109.2P16 G19 A20 L21R14-P16 WeakPolarHBondContact O-CD 3.39Å; R14-G19 VanDerWaalsContact CG-O 3.32Å; R14-G19 WeakPolarHBondContact CG-O 3.46Å; R14-G19 PolarHBondContact NE-O 2.86Å; R14-G19 VanDerWaalsContact NE-O 3.11Å; R14-A20 CarbonylContact C-O 3.5Å; R14-A20 WeakPolarHBondContact CA-O 3.32Å; R14-L21 HydrophobicContact CB-CD2 3.87Å; R14-L21 HydrophobicContact CG-CD2 3.9Å
15R83.1Confident88.2Confident34 Ų3465.2 Ų65.213%0.12839%0.385CS..  trans-65.8128.8174.2-89-163161.9-138.1-15.8110.2R17 G19 A20 L22 F27 A30 D34R15-R17 VanDerWaalsContact C-N 3.31Å; R15-R17 WeakPolarHBondContact CB-O 3.37Å; R15-R17 PolarHBondContact O-N 3.33Å; R15-G19 WeakPolarHBondContact O-CA 3.33Å; R15-G19 PolarHBondContact O-N 3.27Å; R15-A20 PolarHBondContact N-O 2.95Å; R15-L22 HydrophobicContact CG-CD1 3.79Å; R15-L22 HydrophobicContact CG-CG 4.45Å; R15-F27 HydrophobicContact CG-CD2 4.43Å; R15-A30 PolarHBondContact NH2-O 3.26Å; R15-A30 VanDerWaalsContact NH2-O 3.15Å; R15-D34 IonicContact CZ-OD2 3.41Å; R15-D34 IonicContact NH1-OD1 2.66Å; R15-D34 IonicContact NH1-OD2 3.96Å; R15-D34 PolarHBondContact NH1-OD2 3.46Å; R15-D34 IonicContact NH2-OD2 2.69Å; R15-D34 PolarHBondContact NH2-OD2 3.49Å
16P78Confident88.2Confident73 Ų7360.4 Ų60.447%0.47437%0.366SS..THydrogen-bonded Turntrans-67.3-33.8174.6-33.147.1000112.7R14 G18 Q175R14-P16 WeakPolarHBondContact O-CD 3.39Å; P16-G18 PolarHBondContact O-N 3.4Å; P16-Q175 WeakPolarHBondContact CB-O 3.2Å; P16-Q175 WeakPolarHBondContact CG-O 3.23Å
17R73.6Confident88Confident135 Ų13558.2 Ų58.251%0.50935%0.351SS..THydrogen-bonded Turntrans-79.6111168.3-63.6-164.5-71.3-178.9-0.2109.7R15 G19 D34 Y172R15-R17 VanDerWaalsContact C-N 3.31Å; R15-R17 WeakPolarHBondContact CB-O 3.37Å; R15-R17 PolarHBondContact O-N 3.33Å; R17-G19 VanDerWaalsContact C-N 3.31Å; R17-G19 PolarHBondContact O-N 2.77Å; R17-D34 IonicContact NH2-OD1 3.91Å; R17-D34 IonicContact NH2-OD2 3.9Å; R17-D34 PolarHBondContact NH2-OD2 3.05Å; R17-Y172 VanDerWaalsContact NH2-CZ 3.29Å; R17-Y172 PolarHBondContact NH2-OH 2.72Å
18G78.6Confident87.9Confident86 Ų8655.9 Ų55.989%0.88733%0.331SS*.THydrogen-bonded Turntrans83.4-10.4173.800000116.2P16 A20P16-G18 PolarHBondContact O-N 3.4Å; G18-A20 VanDerWaalsContact C-N 3.29Å; G18-A20 PolarHBondContact O-N 3.48Å
19G85.7Confident87.9Confident21 Ų2153.8 Ų53.822%0.21631%0.312CS..  trans77.36.1171.300000116.1R14 R15 R17R14-G19 VanDerWaalsContact CG-O 3.32Å; R14-G19 WeakPolarHBondContact CG-O 3.46Å; R14-G19 PolarHBondContact NE-O 2.86Å; R14-G19 VanDerWaalsContact NE-O 3.11Å; R15-G19 WeakPolarHBondContact O-CA 3.33Å; R15-G19 PolarHBondContact O-N 3.27Å; R17-G19 VanDerWaalsContact C-N 3.31Å; R17-G19 PolarHBondContact O-N 2.77Å
20A88.7Confident87.8Confident31 Ų3150.2 Ų50.226%0.25630%0.297SS..  trans-64137.2-178.100000112.5D4 R14 R15 G18D4-A20 HydrophobicContact CB-CB 4.48Å; D4-A20 VanDerWaalsContact OD2-CA 3.25Å; D4-A20 WeakPolarHBondContact OD2-CA 3.37Å; R14-A20 CarbonylContact C-O 3.5Å; R14-A20 WeakPolarHBondContact CA-O 3.32Å; R15-A20 PolarHBondContact N-O 2.95Å; G18-A20 VanDerWaalsContact C-N 3.29Å; G18-A20 PolarHBondContact O-N 3.48Å
21L91.2Very high87.7Confident38 Ų3845.5 Ų45.520%0.19927%0.267CS..EExtended strand (participates in β ladder)trans-89112176.9-65.8175.7000109.6M1 C3 D4 A11 R14M1-L21 HydrophobicContact CB-CD1 3.93Å; M1-L21 HydrophobicContact CE-CD1 4.2Å; M1-L21 HydrophobicContact CG-CD1 4.25Å; M1-L21 HydrophobicContact SD-CD1 3.37Å; M1-L21 WeakPolarHBondContact SD-CD1 3.47Å; C3-L21 CarbonylContact C-O 3.55Å; C3-L21 WeakPolarHBondContact CA-O 3.27Å; D4-L21 WeakPolarHBondContact CB-O 3.33Å; D4-L21 PolarHBondContact N-O 3.13Å; D4-L21 PolarHBondContact OD2-N 3.47Å; A11-L21 HydrophobicContact CB-CB 3.65Å; R14-L21 HydrophobicContact CB-CD2 3.87Å; R14-L21 HydrophobicContact CG-CD2 3.9Å
22L91.8Very high87.8Confident9 Ų944.5 Ų44.55%0.04726%0.257CS..EExtended strand (participates in β ladder)trans-115.3142.2-176.4-60.9-176.1000111.4K5 A12 V13 R15 C26 F27 A30K5-L22 HydrophobicContact CB-CD2 3.68Å; A12-L22 PolarHBondContact N-O 3.02Å; V13-L22 PolarHBondContact N-O 2.97Å; V13-L22 PolarHBondContact O-N 2.87Å; R15-L22 HydrophobicContact CG-CD1 3.79Å; R15-L22 HydrophobicContact CG-CG 4.45Å; L22-C26 HydrophobicContact CB-CB 4.28Å; L22-C26 HydrophobicContact CD2-CB 4.28Å; L22-F27 HydrophobicContact CB-CB 4.03Å; L22-F27 HydrophobicContact CD1-CB 4.38Å; L22-A30 HydrophobicContact CD1-CB 4.45Å
23C93.1Very high87.8Confident1 Ų144.7 Ų44.71%0.00725%0.25CC..  trans-67.8167.9162.766.40000110.5C3 C6 E9 P10 S25 C26 F27C3-C23 HydrophobicContact CB-CB 3.84Å; C3-C23 PolarHBondContact SG-N 3.09Å; C6-C23 VanDerWaalsContact SG-SG 3.68Å; E9-C23 HydrophobicContact CB-CB 3.5Å; E9-C23 PolarHBondContact OE2-SG 2.97Å; P10-C23 WeakPolarHBondContact O-CB 3.35Å; C23-S25 VanDerWaalsContact C-N 3.33Å; C23-S25 PolarHBondContact O-N 2.9Å; C23-S25 PolarHBondContact SG-OG 3.26Å; C23-C26 PolarHBondContact O-N 2.83Å; C23-C26 VanDerWaalsContact SG-CB 3.55Å; C23-C26 PolarHBondContact SG-N 3.34Å; C23-F27 WeakPolarHBondContact O-CB 3.3Å; C23-F27 PolarHBondContact O-N 2.73Å
24K90Very high87.9Confident102 Ų10245.1 Ų45.144%0.44325%0.251SS..Hα-helixtrans-57.4-43.6-176.7-63.4-176.6-178.2178.20112.6A12 S28A12-K24 HydrophobicContact CB-CG 3.73Å; K24-S28 WeakPolarHBondContact O-CB 3.38Å; K24-S28 PolarHBondContact O-N 2.97Å; K24-S28 PolarHBondContact O-OG 2.76Å
25S91.5Very high88Confident54 Ų5437.3 Ų37.338%0.37822%0.222SC..Hα-helixtrans-66.4-48.2-178.861.70000111.9E9 C23 F27 S28 N29E9-S25 PolarHBondContact OE2-OG 3.5Å; C23-S25 VanDerWaalsContact C-N 3.33Å; C23-S25 PolarHBondContact O-N 2.9Å; C23-S25 PolarHBondContact SG-OG 3.26Å; S25-F27 PolarHBondContact O-N 3.46Å; S25-S28 PolarHBondContact O-N 3.39Å; S25-N29 PolarHBondContact O-N 2.65Å
26C92Very high88.4Confident14 Ų1437.4 Ų37.410%0.09522%0.224CC..Hα-helixtrans-64.6-39.8177.5-75.10000112.4C3 K5 L22 C23 A30C3-C26 VanDerWaalsContact SG-SG 3.66Å; K5-C26 HydrophobicContact CB-CB 4.12Å; K5-C26 HydrophobicContact CD-CB 4.02Å; K5-C26 HydrophobicContact CG-CB 4.43Å; L22-C26 HydrophobicContact CB-CB 4.28Å; L22-C26 HydrophobicContact CD2-CB 4.28Å; C23-C26 PolarHBondContact O-N 2.83Å; C23-C26 VanDerWaalsContact SG-CB 3.55Å; C23-C26 PolarHBondContact SG-N 3.34Å; C26-A30 WeakPolarHBondContact O-CB 3.45Å; C26-A30 PolarHBondContact O-N 3.44Å
27F90.4Very high89.1Confident1 Ų138.3 Ų38.30%0.00422%0.222CC..Hα-helixtrans-61.8-51174.6176.1-96.6000111V13 R15 L22 C23 S25 N29 A30 F31 A181 V182V13-F27 HydrophobicContact CB-CD2 4.14Å; V13-F27 HydrophobicContact CB-CG 4.31Å; V13-F27 HydrophobicContact CG1-CD2 3.86Å; V13-F27 HydrophobicContact CG1-CE2 3.85Å; V13-F27 HydrophobicContact CG1-CG 4.4Å; V13-F27 HydrophobicContact CG1-CZ 4.4Å; V13-F27 HydrophobicContact CG2-CG 4.48Å; R15-F27 HydrophobicContact CG-CD2 4.43Å; L22-F27 HydrophobicContact CB-CB 4.03Å; L22-F27 HydrophobicContact CD1-CB 4.38Å; C23-F27 WeakPolarHBondContact O-CB 3.3Å; C23-F27 PolarHBondContact O-N 2.73Å; S25-F27 PolarHBondContact O-N 3.46Å; F27-N29 PolarHBondContact O-N 3.39Å; F27-A30 PolarHBondContact O-N 2.73Å; F27-F31 HydrophobicContact CE1-CB 4.41Å; F27-F31 HydrophobicContact CZ-CD2 4.4Å; F27-F31 WeakPolarHBondContact O-CB 3.2Å; F27-F31 PolarHBondContact O-N 3.11Å; F27-A181 HydrophobicContact CD1-CB 4.05Å; F27-A181 HydrophobicContact CE1-CB 3.79Å; F27-V182 HydrophobicContact CE1-CG2 4.16Å
28S89.5Confident89.7Confident7 Ų734.3 Ų34.35%0.04921%0.213CC..Hα-helixtrans-60.9-46.8-177.8-55.70000111.7K24 S25 A30 F31 E32K24-S28 WeakPolarHBondContact O-CB 3.38Å; K24-S28 PolarHBondContact O-N 2.97Å; K24-S28 PolarHBondContact O-OG 2.76Å; S25-S28 PolarHBondContact O-N 3.39Å; S28-A30 PolarHBondContact O-N 2.88Å; S28-F31 PolarHBondContact O-N 2.98Å; S28-E32 WeakPolarHBondContact O-CB 3.43Å; S28-E32 WeakPolarHBondContact O-CG 3.22Å; S28-E32 PolarHBondContact O-N 2.82Å
29N91.5Very high90.2Very high50 Ų5030.5 Ų30.527%0.26717%0.172SC..Hα-helixtrans-63.7-42.7176.9179.449.4000112S25 F27 F31 L33 R74S25-N29 PolarHBondContact O-N 2.65Å; F27-N29 PolarHBondContact O-N 3.39Å; N29-F31 VanDerWaalsContact C-N 3.31Å; N29-F31 PolarHBondContact O-N 2.86Å; N29-L33 WeakPolarHBondContact O-CB 3.15Å; N29-L33 VanDerWaalsContact O-CG 3.23Å; N29-L33 WeakPolarHBondContact O-CG 3.23Å; N29-L33 PolarHBondContact O-N 3.48Å; N29-R74 PolarHBondContact OD1-NH1 3.4Å; N29-R74 PolarHBondContact OD1-NH2 3.37Å
30A89.5Confident90.4Very high11 Ų1132.9 Ų32.99%0.09118%0.182CC..Hα-helixtrans-66.9-36.2177.900000111.5R15 L22 C26 F27 S28 L33 D34R15-A30 PolarHBondContact NH2-O 3.26Å; R15-A30 VanDerWaalsContact NH2-O 3.15Å; L22-A30 HydrophobicContact CD1-CB 4.45Å; C26-A30 WeakPolarHBondContact O-CB 3.45Å; C26-A30 PolarHBondContact O-N 3.44Å; F27-A30 PolarHBondContact O-N 2.73Å; S28-A30 PolarHBondContact O-N 2.88Å; A30-L33 PolarHBondContact O-N 3.01Å; A30-D34 PolarHBondContact O-N 3.47Å; A30-D34 VanDerWaalsContact O-OD2 3.09Å
31F89Confident90.4Very high1 Ų136.7 Ų36.70%0.00419%0.194CC..Hα-helixtrans-66.3-47.2176.4177-97.2000111.5F27 S28 N29 L33 D34 V35 V63 L67 L169 Y172 L173 V182F27-F31 HydrophobicContact CE1-CB 4.41Å; F27-F31 HydrophobicContact CZ-CD2 4.4Å; F27-F31 WeakPolarHBondContact O-CB 3.2Å; F27-F31 PolarHBondContact O-N 3.11Å; S28-F31 PolarHBondContact O-N 2.98Å; N29-F31 VanDerWaalsContact C-N 3.31Å; N29-F31 PolarHBondContact O-N 2.86Å; F31-L33 VanDerWaalsContact C-N 3.3Å; F31-L33 PolarHBondContact O-N 3.36Å; F31-D34 PolarHBondContact O-N 2.98Å; F31-V35 HydrophobicContact CE1-CG2 4.29Å; F31-V35 HydrophobicContact CZ-CG2 4.25Å; F31-V35 WeakPolarHBondContact O-CG2 3.5Å; F31-V35 PolarHBondContact O-N 3.48Å; F31-V63 HydrophobicContact CE1-CG1 4.49Å; F31-L67 HydrophobicContact CD1-CD1 4.44Å; F31-L67 HydrophobicContact CD1-CD2 4.11Å; F31-L67 HydrophobicContact CE1-CD1 3.49Å; F31-L67 VanDerWaalsContact CE1-CD1 3.49Å; F31-L67 HydrophobicContact CE1-CD2 3.91Å; F31-L67 HydrophobicContact CE1-CG 4.26Å; F31-L67 HydrophobicContact CZ-CD1 4.1Å; F31-L169 HydrophobicContact CZ-CD1 4.02Å; F31-Y172 AromaticContact CD2-CD1 3.77Å; F31-Y172 HydrophobicContact CD2-CD1 3.77Å; F31-Y172 AromaticContact CD2-CE1 3.3Å; F31-Y172 HydrophobicContact CD2-CE1 3.3Å; F31-Y172 AromaticContact CE2-CD1 3.31Å; F31-Y172 HydrophobicContact CE2-CD1 3.31Å; F31-Y172 AromaticContact CE2-CE1 3.4Å; F31-Y172 HydrophobicContact CE2-CE1 3.4Å; F31-Y172 VanDerWaalsContact CE2-CE1 3.4Å; F31-Y172 HydrophobicContact CG-CE1 4.34Å; F31-Y172 HydrophobicContact CZ-CD1 4.19Å; F31-L173 HydrophobicContact CE1-CD2 4.38Å; F31-L173 HydrophobicContact CE2-CD2 3.83Å; F31-L173 HydrophobicContact CE2-CG 4.45Å; F31-L173 HydrophobicContact CZ-CD2 3.43Å; F31-L173 VanDerWaalsContact CZ-CD2 3.43Å; F31-L173 HydrophobicContact CZ-CG 4.08Å; F31-V182 HydrophobicContact CD1-CG2 3.91Å; F31-V182 HydrophobicContact CE1-CG2 3.91Å; F31-V182 HydrophobicContact CG-CG2 4.48Å
32E91Very high90.3Very high7 Ų741.1 Ų41.13%0.03321%0.214CC..Hα-helixtrans-56.1-43173-78.8171.7-155.200112.6S28 V35 H36 L67 R70 L71 R74S28-E32 WeakPolarHBondContact O-CB 3.43Å; S28-E32 WeakPolarHBondContact O-CG 3.22Å; S28-E32 PolarHBondContact O-N 2.82Å; E32-V35 PolarHBondContact O-N 2.86Å; E32-H36 WeakPolarHBondContact O-CB 3.49Å; E32-H36 PolarHBondContact O-N 3.49Å; E32-L67 HydrophobicContact CG-CD2 3.76Å; E32-R70 VanDerWaalsContact OE1-CD 3.3Å; E32-R70 WeakPolarHBondContact OE1-CD 3.45Å; E32-R70 IonicContact OE1-CZ 3.21Å; E32-R70 IonicContact OE1-NE 3.39Å; E32-R70 PolarHBondContact OE1-NE 2.88Å; E32-R70 IonicContact OE1-NH1 2.65Å; E32-R70 PolarHBondContact OE1-NH1 3.35Å; E32-R70 IonicContact OE2-CZ 3.93Å; E32-R70 IonicContact OE2-NE 3.66Å; E32-L71 HydrophobicContact CB-CD2 4.1Å; E32-R74 IonicContact OE2-NH1 2.97Å; E32-R74 PolarHBondContact OE2-NH1 2.89Å
33L91.8Very high90Very high63 Ų6347 Ų4733%0.3325%0.246SC..Hα-helixtrans-67-39.6178.3-72.5170.7000112.5N29 A30 F31 V35 H36 Q37 F75N29-L33 WeakPolarHBondContact O-CB 3.15Å; N29-L33 VanDerWaalsContact O-CG 3.23Å; N29-L33 WeakPolarHBondContact O-CG 3.23Å; N29-L33 PolarHBondContact O-N 3.48Å; A30-L33 PolarHBondContact O-N 3.01Å; F31-L33 VanDerWaalsContact C-N 3.3Å; F31-L33 PolarHBondContact O-N 3.36Å; L33-V35 VanDerWaalsContact C-N 3.28Å; L33-V35 PolarHBondContact O-N 3.48Å; L33-H36 PolarHBondContact O-N 2.99Å; L33-Q37 WeakPolarHBondContact O-CB 3.01Å; L33-Q37 PolarHBondContact O-N 3.23Å; L33-F75 HydrophobicContact CD2-CZ 3.81Å
34D89.2Confident89.6Confident38 Ų3848.7 Ų48.720%0.20325%0.253CS..Hα-helixtrans-61.9-40.9174.8-64.2-37000110.8R15 R17 A30 F31 Q37 T38 Y172R15-D34 IonicContact CZ-OD2 3.41Å; R15-D34 IonicContact NH1-OD1 2.66Å; R15-D34 IonicContact NH1-OD2 3.96Å; R15-D34 PolarHBondContact NH1-OD2 3.46Å; R15-D34 IonicContact NH2-OD2 2.69Å; R15-D34 PolarHBondContact NH2-OD2 3.49Å; R17-D34 IonicContact NH2-OD1 3.91Å; R17-D34 IonicContact NH2-OD2 3.9Å; R17-D34 PolarHBondContact NH2-OD2 3.05Å; A30-D34 PolarHBondContact O-N 3.47Å; A30-D34 VanDerWaalsContact O-OD2 3.09Å; F31-D34 PolarHBondContact O-N 2.98Å; D34-Q37 PolarHBondContact O-N 2.94Å; D34-T38 PolarHBondContact O-N 3.36Å; D34-T38 PolarHBondContact O-OG1 3.09Å; D34-Y172 HydrophobicContact CB-CE1 3.98Å; D34-Y172 PolarHBondContact OD2-OH 2.78Å
35V89.4Confident89.4Confident8 Ų845.1 Ų45.15%0.04824%0.238CC..Hα-helixtrans-67.4-42.7177.4176.60000111.4F31 E32 L33 Q37 T38 I39 L67 L71 L169 Y172F31-V35 HydrophobicContact CE1-CG2 4.29Å; F31-V35 HydrophobicContact CZ-CG2 4.25Å; F31-V35 WeakPolarHBondContact O-CG2 3.5Å; F31-V35 PolarHBondContact O-N 3.48Å; E32-V35 PolarHBondContact O-N 2.86Å; L33-V35 VanDerWaalsContact C-N 3.28Å; L33-V35 PolarHBondContact O-N 3.48Å; V35-Q37 VanDerWaalsContact C-N 3.33Å; V35-Q37 PolarHBondContact O-N 3.38Å; V35-T38 PolarHBondContact O-N 3.48Å; V35-I39 HydrophobicContact CG1-CD1 3.99Å; V35-I39 VanDerWaalsContact O-CG1 3.31Å; V35-I39 WeakPolarHBondContact O-CG1 3.45Å; V35-I39 PolarHBondContact O-N 3.03Å; V35-L67 HydrophobicContact CG2-CD1 4.32Å; V35-L71 HydrophobicContact CB-CD1 4.08Å; V35-L71 HydrophobicContact CG1-CD1 3.68Å; V35-L169 HydrophobicContact CB-CD1 4.35Å; V35-L169 HydrophobicContact CG1-CD1 4.03Å; V35-L169 HydrophobicContact CG2-CD1 3.32Å; V35-Y172 HydrophobicContact CG2-CD1 4.48Å
36H91.7Very high89.1Confident36 Ų3646.8 Ų46.817%0.16725%0.245CC..Hα-helixtrans-57-47.5172.9170.261.7000111.6E32 L33 T38 I39 V40 L71 F75 Y77E32-H36 WeakPolarHBondContact O-CB 3.49Å; E32-H36 PolarHBondContact O-N 3.49Å; L33-H36 PolarHBondContact O-N 2.99Å; H36-T38 VanDerWaalsContact C-N 3.33Å; H36-T38 PolarHBondContact O-N 2.83Å; H36-I39 WeakPolarHBondContact O-CB 3.41Å; H36-I39 PolarHBondContact O-N 2.85Å; H36-I39 VanDerWaalsContact O-N 3.1Å; H36-V40 VanDerWaalsContact CE1-CG2 3.48Å; H36-V40 WeakPolarHBondContact CE1-CG2 3.45Å; H36-V40 WeakPolarHBondContact O-CG2 3.48Å; H36-V40 PolarHBondContact O-N 3.36Å; H36-L71 HydrophobicContact CB-CD2 4.21Å; H36-F75 HydrophobicContact CB-CD2 4.22Å; H36-F75 HydrophobicContact CB-CE2 3.86Å; H36-F75 HydrophobicContact CB-CZ 4.23Å; H36-F75 AromaticContact CD2-CD1 3.98Å; H36-F75 AromaticContact CD2-CE1 3.66Å; H36-F75 AromaticContact CD2-CZ 3.74Å; H36-F75 AromaticContact CE1-CD1 3.43Å; H36-F75 VanDerWaalsContact CE1-CD1 3.43Å; H36-F75 WeakPolarHBondContact CE1-CD1 3.42Å; H36-F75 AromaticContact CE1-CE1 3.92Å; H36-F75 AromaticContact CE1-CG 3.5Å; H36-F75 VanDerWaalsContact CE1-CG 3.5Å; H36-F75 WeakPolarHBondContact CE1-CG 3.31Å; H36-F75 AromaticContact CG-CD2 3.81Å; H36-F75 AromaticContact CG-CE2 3.7Å; H36-F75 AromaticContact CG-CZ 3.81Å; H36-F75 AromaticContact ND1-CD1 3.81Å; H36-F75 AromaticContact ND1-CD2 3.57Å; H36-F75 AromaticContact ND1-CE2 3.96Å; H36-F75 AromaticContact ND1-CG 3.49Å; H36-F75 WeakPolarHBondContact ND1-CG 3.49Å; H36-F75 AromaticContact NE2-CD1 3.52Å; H36-F75 AromaticContact NE2-CE1 3.58Å; H36-Y77 AromaticContact CE1-CE1 3.88Å; H36-Y77 AromaticContact ND1-CE1 3.6Å; H36-Y77 AromaticContact ND1-CZ 3.57Å; H36-Y77 PolarHBondContact ND1-OH 3.23Å
37Q90.9Very high88.8Confident92 Ų9250.9 Ų50.943%0.4327%0.272SS..Hα-helixtrans-58.6-47.1179.8-172.363.124.300110.9L33 D34 V35 I39 V40 E41L33-Q37 WeakPolarHBondContact O-CB 3.01Å; L33-Q37 PolarHBondContact O-N 3.23Å; D34-Q37 PolarHBondContact O-N 2.94Å; V35-Q37 VanDerWaalsContact C-N 3.33Å; V35-Q37 PolarHBondContact O-N 3.38Å; Q37-I39 VanDerWaalsContact C-N 3.34Å; Q37-I39 PolarHBondContact O-N 3.17Å; Q37-V40 PolarHBondContact O-N 2.82Å; Q37-E41 HydrophobicContact CG-CG 4.23Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.27Å; Q37-E41 VanDerWaalsContact NE2-CD 3.34Å; Q37-E41 PolarHBondContact NE2-OE1 3.31Å; Q37-E41 WeakPolarHBondContact O-CB 3.48Å; Q37-E41 WeakPolarHBondContact O-CG 3.44Å; Q37-E41 PolarHBondContact O-N 2.87Å
38T87.5Confident88.6Confident51 Ų5156.4 Ų56.431%0.31330%0.301SS..Hα-helixtrans-61.9-38.6175.3-59.60000112.7D34 V35 H36 V40 E42 F44D34-T38 PolarHBondContact O-N 3.36Å; D34-T38 PolarHBondContact O-OG1 3.09Å; V35-T38 PolarHBondContact O-N 3.48Å; H36-T38 VanDerWaalsContact C-N 3.33Å; H36-T38 PolarHBondContact O-N 2.83Å; T38-V40 VanDerWaalsContact C-N 3.31Å; T38-V40 PolarHBondContact O-N 3.46Å; T38-E42 HydrophobicContact CG2-CG 4.25Å; T38-E42 WeakPolarHBondContact O-CB 3.2Å; T38-E42 WeakPolarHBondContact O-CG 3.44Å; T38-E42 PolarHBondContact O-N 3.32Å; T38-F44 HydrophobicContact CG2-CE2 4Å
39I88.1Confident88.6Confident6 Ų657.6 Ų57.63%0.03131%0.307CS..Hα-helixtrans-58.9-44.4176-74166.3000111.2V35 H36 Q37 N43 F44 F45 L68 L71 Y77 L165V35-I39 HydrophobicContact CG1-CD1 3.99Å; V35-I39 VanDerWaalsContact O-CG1 3.31Å; V35-I39 WeakPolarHBondContact O-CG1 3.45Å; V35-I39 PolarHBondContact O-N 3.03Å; H36-I39 WeakPolarHBondContact O-CB 3.41Å; H36-I39 PolarHBondContact O-N 2.85Å; H36-I39 VanDerWaalsContact O-N 3.1Å; Q37-I39 VanDerWaalsContact C-N 3.34Å; Q37-I39 PolarHBondContact O-N 3.17Å; I39-N43 PolarHBondContact O-N 2.76Å; I39-F44 HydrophobicContact CG2-CB 4.31Å; I39-F44 PolarHBondContact O-N 3.12Å; I39-F45 HydrophobicContact CD1-CE2 4.26Å; I39-F45 HydrophobicContact CG1-CE2 4.27Å; I39-F45 HydrophobicContact CG2-CD2 3.69Å; I39-F45 HydrophobicContact CG2-CE2 3.94Å; I39-L68 HydrophobicContact CD1-CD2 4.22Å; I39-L71 HydrophobicContact CD1-CD1 3.98Å; I39-Y77 HydrophobicContact CD1-CE2 4Å; I39-Y77 HydrophobicContact CG2-CE1 4.39Å; I39-Y77 HydrophobicContact CG2-CE2 4.06Å; I39-L165 HydrophobicContact CD1-CD1 4.21Å; I39-L165 HydrophobicContact CD1-CD2 4.39Å; I39-L165 HydrophobicContact CG1-CD1 3.56Å
40V90.1Very high88.4Confident70 Ų7055.8 Ų55.842%0.42430%0.298SS..Hα-helixtrans-75.1-47.4-177174.70000111.8H36 Q37 T38 E42 N43H36-V40 VanDerWaalsContact CE1-CG2 3.48Å; H36-V40 WeakPolarHBondContact CE1-CG2 3.45Å; H36-V40 WeakPolarHBondContact O-CG2 3.48Å; H36-V40 PolarHBondContact O-N 3.36Å; Q37-V40 PolarHBondContact O-N 2.82Å; T38-V40 VanDerWaalsContact C-N 3.31Å; T38-V40 PolarHBondContact O-N 3.46Å; V40-E42 VanDerWaalsContact C-N 3.34Å; V40-E42 PolarHBondContact O-N 2.93Å; V40-N43 PolarHBondContact O-N 3.44Å; V40-N43 VanDerWaalsContact O-N 3.17Å
41E90.1Very high88.4Confident111 Ų11155.3 Ų55.352%0.51929%0.294SS..Hα-helixtrans-60.8-42.8-178.2-74.7174.9166.200112.2Q37 N43Q37-E41 HydrophobicContact CG-CG 4.23Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.27Å; Q37-E41 VanDerWaalsContact NE2-CD 3.34Å; Q37-E41 PolarHBondContact NE2-OE1 3.31Å; Q37-E41 WeakPolarHBondContact O-CB 3.48Å; Q37-E41 WeakPolarHBondContact O-CG 3.44Å; Q37-E41 PolarHBondContact O-N 2.87Å; E41-N43 VanDerWaalsContact C-N 3.29Å; E41-N43 PolarHBondContact O-N 3.46Å; E41-N43 PolarHBondContact O-ND2 2.94Å
42E87.8Confident88.4Confident131 Ų13155.2 Ų55.261%0.61229%0.293SS*.THydrogen-bonded Turntrans-87.41.9-178.9-58.8-64147.900112.7T38 V40 F44T38-E42 HydrophobicContact CG2-CG 4.25Å; T38-E42 WeakPolarHBondContact O-CB 3.2Å; T38-E42 WeakPolarHBondContact O-CG 3.44Å; T38-E42 PolarHBondContact O-N 3.32Å; V40-E42 VanDerWaalsContact C-N 3.34Å; V40-E42 PolarHBondContact O-N 2.93Å; E42-F44 VanDerWaalsContact C-N 3.29Å; E42-F44 HydrophobicContact CB-CD2 3.53Å; E42-F44 HydrophobicContact CB-CE2 3.41Å; E42-F44 VanDerWaalsContact CB-CE2 3.41Å; E42-F44 HydrophobicContact CB-CZ 4.33Å; E42-F44 HydrophobicContact CG-CD2 4.38Å; E42-F44 HydrophobicContact CG-CE2 3.82Å; E42-F44 PolarHBondContact O-N 3.07Å
43N86.3Confident88.4Confident133 Ų13355 Ų5571%0.71129%0.292SS*.THydrogen-bonded Turntrans48.347.6-177.9-61.6-80.6000113I39 V40 E41 F45I39-N43 PolarHBondContact O-N 2.76Å; V40-N43 PolarHBondContact O-N 3.44Å; V40-N43 VanDerWaalsContact O-N 3.17Å; E41-N43 VanDerWaalsContact C-N 3.29Å; E41-N43 PolarHBondContact O-N 3.46Å; E41-N43 PolarHBondContact O-ND2 2.94Å; N43-F45 PolarHBondContact O-N 3.25Å; N43-F45 VanDerWaalsContact O-N 3.14Å
44F83.6Confident88.2Confident36 Ų3652.4 Ų52.416%0.15828%0.281CS..  trans-59.9-27.9-173.4-92-82.4000114.4T38 I39 E42 H164 L165T38-F44 HydrophobicContact CG2-CE2 4Å; I39-F44 HydrophobicContact CG2-CB 4.31Å; I39-F44 PolarHBondContact O-N 3.12Å; E42-F44 VanDerWaalsContact C-N 3.29Å; E42-F44 HydrophobicContact CB-CD2 3.53Å; E42-F44 HydrophobicContact CB-CE2 3.41Å; E42-F44 VanDerWaalsContact CB-CE2 3.41Å; E42-F44 HydrophobicContact CB-CZ 4.33Å; E42-F44 HydrophobicContact CG-CD2 4.38Å; E42-F44 HydrophobicContact CG-CE2 3.82Å; E42-F44 PolarHBondContact O-N 3.07Å; F44-H164 HydrophobicContact CD1-CB 4.45Å; F44-H164 HydrophobicContact CE1-CB 3.61Å; F44-H164 HydrophobicContact CZ-CB 4.47Å; F44-L165 HydrophobicContact CD1-CB 4.35Å; F44-L165 HydrophobicContact CD1-CD1 3.92Å; F44-L165 HydrophobicContact CD2-CD1 3.92Å; F44-L165 HydrophobicContact CE1-CB 4.17Å; F44-L165 HydrophobicContact CE1-CD1 3.97Å; F44-L165 HydrophobicContact CE2-CD1 3.96Å; F44-L165 HydrophobicContact CG-CD1 3.88Å; F44-L165 HydrophobicContact CZ-CD1 3.99Å
45F86.5Confident88.2Confident28 Ų2850.9 Ų50.912%0.12327%0.273CS..  trans-138.7148.9-175.3-50.2-62.2000110.8I39 N43 D49 V51 L68 L79 L165I39-F45 HydrophobicContact CD1-CE2 4.26Å; I39-F45 HydrophobicContact CG1-CE2 4.27Å; I39-F45 HydrophobicContact CG2-CD2 3.69Å; I39-F45 HydrophobicContact CG2-CE2 3.94Å; N43-F45 PolarHBondContact O-N 3.25Å; N43-F45 VanDerWaalsContact O-N 3.14Å; F45-D49 WeakPolarHBondContact CA-OD2 3.47Å; F45-V51 HydrophobicContact CD1-CG2 3.6Å; F45-V51 HydrophobicContact CE1-CB 4.37Å; F45-V51 HydrophobicContact CE1-CG1 3.83Å; F45-V51 HydrophobicContact CE1-CG2 3.56Å; F45-V51 HydrophobicContact CZ-CG1 4.31Å; F45-V51 HydrophobicContact CZ-CG2 4.44Å; F45-L68 HydrophobicContact CE2-CD2 3.82Å; F45-L68 HydrophobicContact CZ-CD2 3.89Å; F45-L79 HydrophobicContact CB-CD1 4.44Å; F45-L79 HydrophobicContact CB-CD2 3.55Å; F45-L79 HydrophobicContact CD1-CD1 4.31Å; F45-L79 HydrophobicContact CD1-CD2 4.29Å; F45-L79 HydrophobicContact CD2-CD1 3.64Å; F45-L79 HydrophobicContact CD2-CD2 4.33Å; F45-L79 HydrophobicContact CE2-CD1 3.88Å; F45-L79 HydrophobicContact CG-CD1 3.87Å; F45-L79 HydrophobicContact CG-CD2 3.82Å; F45-L79 HydrophobicContact CZ-CD1 4.32Å; F45-L165 HydrophobicContact CZ-CD2 4.29Å
46V85.2Confident88Confident88 Ų8853.7 Ų53.753%0.53329%0.293SS..  trans-101.7153.6162.2-60.90000110.3N48 D49V46-N48 PolarHBondContact O-N 2.88Å; V46-D49 WeakPolarHBondContact CG2-OD1 3.36Å; V46-D49 WeakPolarHBondContact CG2-OD2 3.29Å; V46-D49 PolarHBondContact N-OD2 2.86Å; V46-D49 VanDerWaalsContact O-CB 3.27Å; V46-D49 WeakPolarHBondContact O-CB 3.04Å; V46-D49 PolarHBondContact O-N 3Å; V46-D49 VanDerWaalsContact O-N 3.12Å
47P86.3Confident87.4Confident101 Ų10153 Ų5366%0.65630%0.296SS*.THydrogen-bonded Turntrans-53.6135.5177.2-27.435.4000112.3D49P47-D49 VanDerWaalsContact C-N 3.3Å
48N86.7Confident87Confident116 Ų11650 Ų5062%0.6229%0.289SS*.THydrogen-bonded Turntrans73.59.8-177.6-48.2-68.6000116.4V46 G78V46-N48 PolarHBondContact O-N 2.88Å; N48-G78 WeakPolarHBondContact CA-O 3.43Å; N48-G78 PolarHBondContact N-O 3.44Å
49D88.3Confident86.7Confident32 Ų3252.8 Ų52.817%0.17130%0.297CS..  trans-55.8146.3171.9-94.1-13.4000112.4F45 V46 P47 V51 L79 R80F45-D49 WeakPolarHBondContact CA-OD2 3.47Å; V46-D49 WeakPolarHBondContact CG2-OD1 3.36Å; V46-D49 WeakPolarHBondContact CG2-OD2 3.29Å; V46-D49 PolarHBondContact N-OD2 2.86Å; V46-D49 VanDerWaalsContact O-CB 3.27Å; V46-D49 WeakPolarHBondContact O-CB 3.04Å; V46-D49 PolarHBondContact O-N 3Å; V46-D49 VanDerWaalsContact O-N 3.12Å; P47-D49 VanDerWaalsContact C-N 3.3Å; D49-V51 HydrophobicContact CB-CG2 4.24Å; D49-L79 HydrophobicContact CB-CD2 3.87Å; D49-L79 WeakPolarHBondContact O-CA 3.33Å; D49-R80 PolarHBondContact O-N 3.1Å
50V88.5Confident86.5Confident13 Ų1354.8 Ų54.88%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-97.3117170.1-179.70000108R80 L82 A158V50-R80 WeakPolarHBondContact CA-O 3.4Å; V50-R80 HydrophobicContact CG2-CB 4.19Å; V50-L82 HydrophobicContact CG1-CD1 3.27Å; V50-L82 HydrophobicContact CG1-CG 4.27Å; V50-A158 HydrophobicContact CB-CB 4.2Å; V50-A158 HydrophobicContact CG1-CB 3.67Å
51V89.2Confident86.3Confident0 Ų052 Ų520%029%0.291CS..EExtended strand (participates in β ladder)trans-117113.6-173.9-176.60000109.6F45 D49 I53 L68 L79 R80 L81 L82F45-V51 HydrophobicContact CD1-CG2 3.6Å; F45-V51 HydrophobicContact CE1-CB 4.37Å; F45-V51 HydrophobicContact CE1-CG1 3.83Å; F45-V51 HydrophobicContact CE1-CG2 3.56Å; F45-V51 HydrophobicContact CZ-CG1 4.31Å; F45-V51 HydrophobicContact CZ-CG2 4.44Å; D49-V51 HydrophobicContact CB-CG2 4.24Å; V51-I53 HydrophobicContact CG1-CG1 4.5Å; V51-L68 HydrophobicContact CG1-CD1 4.49Å; V51-L79 HydrophobicContact CG2-CB 4.35Å; V51-L79 HydrophobicContact CG2-CD1 4.22Å; V51-L79 HydrophobicContact CG2-CD2 4.19Å; V51-L79 HydrophobicContact CG2-CG 4.47Å; V51-R80 PolarHBondContact N-O 3.41Å; V51-L81 HydrophobicContact CB-CD2 3.97Å; V51-L81 HydrophobicContact CG1-CD2 4.47Å; V51-L81 WeakPolarHBondContact O-CA 3.07Å; V51-L82 PolarHBondContact O-N 2.87Å
52A89.1Confident86.2Confident0 Ų047.4 Ų47.40%027%0.272CS..EExtended strand (participates in β ladder)trans-88.7128.4172.100000110.7V84 C153 A158 F161A52-V84 HydrophobicContact CB-CG2 3.93Å; A52-C153 VanDerWaalsContact CB-SG 3.59Å; A52-A158 HydrophobicContact CB-CB 4.29Å; A52-F161 HydrophobicContact CB-CD2 4.29Å; A52-F161 VanDerWaalsContact O-CD2 3.25Å; A52-F161 WeakPolarHBondContact O-CD2 3.37Å; A52-F161 WeakPolarHBondContact O-CE2 3.3Å
53I89.4Confident86.3Confident1 Ų141.1 Ų41.11%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-107117.8-179.2-56.3171.5000108.2V51 V55 V64 L65 L68 L81 L82 V84V51-I53 HydrophobicContact CG1-CG1 4.5Å; I53-V55 HydrophobicContact CG2-CG1 4.19Å; I53-V55 PolarHBondContact O-N 3.12Å; I53-V64 HydrophobicContact CG2-CG1 4.14Å; I53-L65 HydrophobicContact CB-CD1 4.42Å; I53-L65 HydrophobicContact CD1-CD1 3.6Å; I53-L65 HydrophobicContact CG2-CB 4.39Å; I53-L65 HydrophobicContact CG2-CD1 4.33Å; I53-L68 HydrophobicContact CD1-CB 4.05Å; I53-L68 HydrophobicContact CD1-CD1 3.7Å; I53-L68 HydrophobicContact CG1-CD1 3.89Å; I53-L81 HydrophobicContact CD1-CB 4.5Å; I53-L81 HydrophobicContact CD1-CD2 4.41Å; I53-L82 PolarHBondContact N-O 2.72Å; I53-V84 PolarHBondContact O-N 2.87Å
54G88.8Confident86.5Confident10 Ų1035 Ų3510%0.10321%0.21CC..EExtended strand (participates in β ladder)trans-70.6115.2174.600000110.8S61 V84G54-S61 WeakPolarHBondContact O-CB 3.26Å; G54-V84 CarbonylContact C-O 3.56Å; G54-V84 WeakPolarHBondContact CA-O 3.48Å
55V88.7Confident86.9Confident5 Ų533.2 Ų33.23%0.0320%0.203CC..  trans-114.5128.3-179.6-65.10000110.6I53 L65 M83 V84 A85 V101 L112I53-V55 HydrophobicContact CG2-CG1 4.19Å; I53-V55 PolarHBondContact O-N 3.12Å; V55-L65 HydrophobicContact CG1-CD2 4.33Å; V55-M83 HydrophobicContact CB-CE 4.42Å; V55-M83 HydrophobicContact CG1-CE 4.1Å; V55-M83 HydrophobicContact CG1-CG 4.42Å; V55-M83 HydrophobicContact CG2-CB 4.13Å; V55-M83 HydrophobicContact CG2-CE 3.9Å; V55-V84 PolarHBondContact N-O 3.14Å; V55-A85 HydrophobicContact CG2-CB 4.03Å; V55-A85 WeakPolarHBondContact O-CA 3.42Å; V55-V101 HydrophobicContact CB-CG2 4.33Å; V55-V101 HydrophobicContact CG2-CG1 3.74Å; V55-V101 HydrophobicContact CG2-CG2 4.07Å; V55-L112 HydrophobicContact CG2-CD1 4.25Å
56S84.6Confident87.2Confident68 Ų6832.9 Ų32.948%0.47620%0.201SC..  trans-112.3-2.7-178.162.20000113.6G58 S61S56-G58 PolarHBondContact O-N 3.48Å; S56-G58 PolarHBondContact OG-N 3.01Å; S56-S61 PolarHBondContact N-OG 3.08Å; S56-S61 PolarHBondContact OG-OG 3.32Å
57G79.4Confident87.5Confident21 Ų2128.9 Ų28.922%0.21618%0.177CC..SBendtrans80.8-6.4-165.900000113.3
58G82.2Confident87.8Confident28 Ų2824.2 Ų24.229%0.28915%0.146SC..SBendtrans-80.1153.9175.400000113.3S56 D60 S61 A62S56-G58 PolarHBondContact O-N 3.48Å; S56-G58 PolarHBondContact OG-N 3.01Å; G58-D60 VanDerWaalsContact C-N 3.3Å; G58-D60 PolarHBondContact O-N 3.42Å; G58-S61 PolarHBondContact O-N 3.01Å; G58-S61 PolarHBondContact O-OG 3.34Å; G58-A62 PolarHBondContact O-N 2.86Å; G58-A62 VanDerWaalsContact O-N 3.11Å
59K82.1Confident88.2Confident110 Ų11020.3 Ų20.348%0.47813%0.126SC..Hα-helixtrans-54-39.3179.460.2178.1-173.1-650114.4A62 V63 T179 V183K59-A62 VanDerWaalsContact O-CB 3.3Å; K59-A62 WeakPolarHBondContact O-CB 3.21Å; K59-A62 PolarHBondContact O-N 3.5Å; K59-V63 WeakPolarHBondContact O-CG2 3.47Å; K59-V63 PolarHBondContact O-N 2.79Å; K59-T179 HydrophobicContact CD-CG2 4.12Å; K59-T179 HydrophobicContact CG-CG2 4.11Å; K59-V183 HydrophobicContact CB-CG2 3.62Å; K59-V183 HydrophobicContact CD-CG2 4.47Å
60D83.1Confident88.5Confident48 Ų4823 Ų2326%0.25713%0.133SC..Hα-helixtrans-65.6-46.4-175.8-56.5-72000111G58 A62 V63 V64 L170 T179G58-D60 VanDerWaalsContact C-N 3.3Å; G58-D60 PolarHBondContact O-N 3.42Å; D60-A62 VanDerWaalsContact C-N 3.3Å; D60-A62 PolarHBondContact O-N 2.98Å; D60-V63 PolarHBondContact O-N 3.46Å; D60-V64 WeakPolarHBondContact O-CG2 3.24Å; D60-V64 PolarHBondContact O-N 2.88Å; D60-L170 HydrophobicContact CB-CD2 3.86Å; D60-T179 WeakPolarHBondContact OD1-CG2 3.43Å
61S86.4Confident88.7Confident12 Ų1222.3 Ų22.38%0.08413%0.129CC..Hα-helixtrans-65.4-33.3174.365.10000112.8G54 S56 G58 V63 V64 L65G54-S61 WeakPolarHBondContact O-CB 3.26Å; S56-S61 PolarHBondContact N-OG 3.08Å; S56-S61 PolarHBondContact OG-OG 3.32Å; G58-S61 PolarHBondContact O-N 3.01Å; G58-S61 PolarHBondContact O-OG 3.34Å; S61-V63 VanDerWaalsContact C-N 3.35Å; S61-V64 PolarHBondContact O-N 2.81Å; S61-L65 WeakPolarHBondContact O-CB 3.45Å; S61-L65 PolarHBondContact O-N 2.73Å
62A88.5Confident89Confident14 Ų1423.1 Ų23.112%0.11613%0.134CC..Hα-helixtrans-62.7-42.5175.100000111.8G58 K59 D60 L65 H66G58-A62 PolarHBondContact O-N 2.86Å; G58-A62 VanDerWaalsContact O-N 3.11Å; K59-A62 VanDerWaalsContact O-CB 3.3Å; K59-A62 WeakPolarHBondContact O-CB 3.21Å; K59-A62 PolarHBondContact O-N 3.5Å; D60-A62 VanDerWaalsContact C-N 3.3Å; D60-A62 PolarHBondContact O-N 2.98Å; A62-L65 PolarHBondContact O-N 2.79Å; A62-H66 WeakPolarHBondContact O-CB 3.39Å; A62-H66 PolarHBondContact O-N 3.25Å
63V89.5Confident89.3Confident0 Ų028.4 Ų28.40%016%0.162CC..Hα-helixtrans-65.5-45.9176.6170.80000110.6F31 K59 D60 S61 L65 H66 L67 L169 L173 T179 V182 V183 I186F31-V63 HydrophobicContact CE1-CG1 4.49Å; K59-V63 WeakPolarHBondContact O-CG2 3.47Å; K59-V63 PolarHBondContact O-N 2.79Å; D60-V63 PolarHBondContact O-N 3.46Å; S61-V63 VanDerWaalsContact C-N 3.35Å; V63-L65 VanDerWaalsContact C-N 3.33Å; V63-L65 PolarHBondContact O-N 2.8Å; V63-H66 PolarHBondContact O-N 2.92Å; V63-L67 HydrophobicContact CG1-CD1 3.71Å; V63-L67 HydrophobicContact CG1-CG 4.13Å; V63-L67 WeakPolarHBondContact O-CB 3.48Å; V63-L67 VanDerWaalsContact O-CG 3.24Å; V63-L67 WeakPolarHBondContact O-CG 3.41Å; V63-L67 PolarHBondContact O-N 3.39Å; V63-L169 HydrophobicContact CG1-CD2 4.41Å; V63-L173 HydrophobicContact CG1-CD1 4.33Å; V63-L173 HydrophobicContact CG1-CD2 4.31Å; V63-T179 HydrophobicContact CG2-CG2 4.25Å; V63-V182 HydrophobicContact CB-CG1 4.42Å; V63-V182 HydrophobicContact CG1-CB 4.4Å; V63-V182 HydrophobicContact CG1-CG1 3.81Å; V63-V182 HydrophobicContact CG2-CB 4.18Å; V63-V182 HydrophobicContact CG2-CG1 3.87Å; V63-V183 HydrophobicContact CG2-CG2 3.88Å; V63-I186 HydrophobicContact CG2-CD1 3.96Å
64V90.2Very high89.6Confident3 Ų333.9 Ų33.92%0.01818%0.183CC..Hα-helixtrans-57-48.6176.4175.70000110.8I53 D60 S61 H66 L67 L68 I166 L169I53-V64 HydrophobicContact CG2-CG1 4.14Å; D60-V64 WeakPolarHBondContact O-CG2 3.24Å; D60-V64 PolarHBondContact O-N 2.88Å; S61-V64 PolarHBondContact O-N 2.81Å; V64-H66 PolarHBondContact O-N 3.47Å; V64-L67 PolarHBondContact O-N 3.48Å; V64-L68 HydrophobicContact CG1-CD1 4.01Å; V64-L68 HydrophobicContact CG1-CG 4.49Å; V64-L68 WeakPolarHBondContact O-CB 3.46Å; V64-L68 PolarHBondContact O-N 2.89Å; V64-I166 HydrophobicContact CG1-CG1 4.16Å; V64-I166 HydrophobicContact CG2-CG1 4.14Å; V64-L169 HydrophobicContact CB-CD2 4.23Å; V64-L169 HydrophobicContact CG2-CD2 3.38Å
65L91.7Very high89.9Confident0 Ų036.5 Ų36.50%019%0.191CC..Hα-helixtrans-56.7-50177.9-178.163.8000111.5I53 V55 S61 A62 V63 L68 D69 M83 Q104 Y108 L110I53-L65 HydrophobicContact CB-CD1 4.42Å; I53-L65 HydrophobicContact CD1-CD1 3.6Å; I53-L65 HydrophobicContact CG2-CB 4.39Å; I53-L65 HydrophobicContact CG2-CD1 4.33Å; V55-L65 HydrophobicContact CG1-CD2 4.33Å; S61-L65 WeakPolarHBondContact O-CB 3.45Å; S61-L65 PolarHBondContact O-N 2.73Å; A62-L65 PolarHBondContact O-N 2.79Å; V63-L65 VanDerWaalsContact C-N 3.33Å; V63-L65 PolarHBondContact O-N 2.8Å; L65-L68 PolarHBondContact O-N 3.42Å; L65-D69 WeakPolarHBondContact O-CB 3.24Å; L65-D69 PolarHBondContact O-N 3.24Å; L65-M83 HydrophobicContact CD1-CG 4.02Å; L65-M83 HydrophobicContact CD1-SD 4.41Å; L65-M83 HydrophobicContact CD2-CE 3.94Å; L65-M83 HydrophobicContact CD2-CG 4.49Å; L65-M83 HydrophobicContact CD2-SD 4.04Å; L65-Q104 HydrophobicContact CD2-CB 3.81Å; L65-Q104 HydrophobicContact CD2-CG 4.26Å; L65-Y108 HydrophobicContact CD2-CD2 3.52Å; L65-Y108 HydrophobicContact CD2-CE2 3.74Å; L65-Y108 HydrophobicContact CD2-CG 4.45Å; L65-Y108 HydrophobicContact CG-CD2 3.83Å; L65-Y108 HydrophobicContact CG-CE2 3.95Å; L65-Y108 HydrophobicContact CG-CG 4.41Å; L65-L110 HydrophobicContact CD1-CD1 3.69Å
66H92.4Very high90.2Very high21 Ų2142.9 Ų42.910%0.09723%0.225CC..Hα-helixtrans-60.1-48.2179.3-177.769.5000112.5A62 V63 V64 R70 Y108 I186A62-H66 WeakPolarHBondContact O-CB 3.39Å; A62-H66 PolarHBondContact O-N 3.25Å; V63-H66 PolarHBondContact O-N 2.92Å; V64-H66 PolarHBondContact O-N 3.47Å; H66-R70 VanDerWaalsContact O-CB 3.22Å; H66-R70 WeakPolarHBondContact O-CB 3.27Å; H66-R70 PolarHBondContact O-N 2.89Å; H66-Y108 WeakPolarHBondContact CA-OH 3.28Å; H66-Y108 WeakPolarHBondContact CB-OH 3.38Å; H66-Y108 AromaticContact ND1-CE1 3.92Å; H66-Y108 AromaticContact ND1-CZ 3.79Å; H66-Y108 PolarHBondContact ND1-OH 3.27Å; H66-I186 HydrophobicContact CB-CD1 3.6Å; H66-I186 HydrophobicContact CB-CG1 4.15Å
67L92.6Very high90.6Very high4 Ų441 Ų412%0.02121%0.208CC..Hα-helixtrans-65-45.1-178.7-68.9171.3000111.2F31 E32 V35 V63 V64 R70 L71 L169F31-L67 HydrophobicContact CD1-CD1 4.44Å; F31-L67 HydrophobicContact CD1-CD2 4.11Å; F31-L67 HydrophobicContact CE1-CD1 3.49Å; F31-L67 VanDerWaalsContact CE1-CD1 3.49Å; F31-L67 HydrophobicContact CE1-CD2 3.91Å; F31-L67 HydrophobicContact CE1-CG 4.26Å; F31-L67 HydrophobicContact CZ-CD1 4.1Å; E32-L67 HydrophobicContact CG-CD2 3.76Å; V35-L67 HydrophobicContact CG2-CD1 4.32Å; V63-L67 HydrophobicContact CG1-CD1 3.71Å; V63-L67 HydrophobicContact CG1-CG 4.13Å; V63-L67 WeakPolarHBondContact O-CB 3.48Å; V63-L67 VanDerWaalsContact O-CG 3.24Å; V63-L67 WeakPolarHBondContact O-CG 3.41Å; V63-L67 PolarHBondContact O-N 3.39Å; V64-L67 PolarHBondContact O-N 3.48Å; L67-R70 PolarHBondContact O-N 3.15Å; L67-L71 WeakPolarHBondContact O-CB 3.21Å; L67-L71 WeakPolarHBondContact O-CG 3.25Å; L67-L71 PolarHBondContact O-N 2.94Å; L67-L169 HydrophobicContact CD1-CD1 3.81Å; L67-L169 HydrophobicContact CD1-CD2 3.71Å; L67-L169 HydrophobicContact CD1-CG 4.39Å
68L92.1Very high91.2Very high2 Ų241.4 Ų41.41%0.0121%0.211CC..Hα-helixtrans-63.7-44.5-179.4-82.6-180000111.6I39 F45 V51 I53 V64 L65 N72 L81 L165I39-L68 HydrophobicContact CD1-CD2 4.22Å; F45-L68 HydrophobicContact CE2-CD2 3.82Å; F45-L68 HydrophobicContact CZ-CD2 3.89Å; V51-L68 HydrophobicContact CG1-CD1 4.49Å; I53-L68 HydrophobicContact CD1-CB 4.05Å; I53-L68 HydrophobicContact CD1-CD1 3.7Å; I53-L68 HydrophobicContact CG1-CD1 3.89Å; V64-L68 HydrophobicContact CG1-CD1 4.01Å; V64-L68 HydrophobicContact CG1-CG 4.49Å; V64-L68 WeakPolarHBondContact O-CB 3.46Å; V64-L68 PolarHBondContact O-N 2.89Å; L65-L68 PolarHBondContact O-N 3.42Å; L68-N72 WeakPolarHBondContact O-CB 3.46Å; L68-N72 PolarHBondContact O-N 3.06Å; L68-L81 HydrophobicContact CB-CD1 4.3Å; L68-L165 HydrophobicContact CD1-CD2 3.84Å; L68-L165 HydrophobicContact CD2-CD2 3.48Å; L68-L165 VanDerWaalsContact CD2-CD2 3.48Å; L68-L165 HydrophobicContact CG-CD2 3.75Å
69D94.6Very high91.7Very high35 Ų3540.5 Ų40.519%0.18720%0.2CC..Hα-helixtrans-59.5-49.7174.5-178.472.7000111.6L65 L71 N72 N73 L81 Y108L65-D69 WeakPolarHBondContact O-CB 3.24Å; L65-D69 PolarHBondContact O-N 3.24Å; D69-L71 PolarHBondContact O-N 2.66Å; D69-N72 PolarHBondContact O-N 2.55Å; D69-N73 PolarHBondContact O-N 3.42Å; D69-N73 VanDerWaalsContact O-N 3.09Å; D69-N73 PolarHBondContact O-ND2 3.17Å; D69-L81 HydrophobicContact CB-CD1 4.09Å; D69-Y108 HydrophobicContact CB-CD1 3.89Å; D69-Y108 HydrophobicContact CB-CE1 4.17Å
70R94.7Very high92.1Very high87 Ų8742.9 Ų42.933%0.32821%0.206SC..Hα-helixtrans-64.4-44.9-178.3-167.3175.7-168.5170.410.6112.7E32 H66 L67 N73 R74E32-R70 VanDerWaalsContact OE1-CD 3.3Å; E32-R70 WeakPolarHBondContact OE1-CD 3.45Å; E32-R70 IonicContact OE1-CZ 3.21Å; E32-R70 IonicContact OE1-NE 3.39Å; E32-R70 PolarHBondContact OE1-NE 2.88Å; E32-R70 IonicContact OE1-NH1 2.65Å; E32-R70 PolarHBondContact OE1-NH1 3.35Å; E32-R70 IonicContact OE2-CZ 3.93Å; E32-R70 IonicContact OE2-NE 3.66Å; H66-R70 VanDerWaalsContact O-CB 3.22Å; H66-R70 WeakPolarHBondContact O-CB 3.27Å; H66-R70 PolarHBondContact O-N 2.89Å; L67-R70 PolarHBondContact O-N 3.15Å; R70-N73 PolarHBondContact O-N 3.02Å; R70-R74 WeakPolarHBondContact O-CB 3.12Å; R70-R74 PolarHBondContact O-N 2.93Å
71L94.4Very high92.6Very high0 Ų041 Ų410%020%0.196CC..Hα-helixtrans-71.8-38-179.7-65.9177.6000111.6E32 V35 H36 I39 L67 D69 N73 R74 F75 Y77E32-L71 HydrophobicContact CB-CD2 4.1Å; V35-L71 HydrophobicContact CB-CD1 4.08Å; V35-L71 HydrophobicContact CG1-CD1 3.68Å; H36-L71 HydrophobicContact CB-CD2 4.21Å; I39-L71 HydrophobicContact CD1-CD1 3.98Å; L67-L71 WeakPolarHBondContact O-CB 3.21Å; L67-L71 WeakPolarHBondContact O-CG 3.25Å; L67-L71 PolarHBondContact O-N 2.94Å; D69-L71 PolarHBondContact O-N 2.66Å; L71-N73 VanDerWaalsContact C-N 3.28Å; L71-N73 PolarHBondContact O-N 3.44Å; L71-R74 PolarHBondContact O-N 3.07Å; L71-F75 HydrophobicContact CB-CD2 4.3Å; L71-F75 HydrophobicContact CD2-CD2 3.73Å; L71-F75 HydrophobicContact CD2-CE2 3.48Å; L71-F75 VanDerWaalsContact CD2-CE2 3.48Å; L71-F75 WeakPolarHBondContact O-CB 3.19Å; L71-F75 PolarHBondContact O-N 2.89Å; L71-Y77 HydrophobicContact CB-CE2 3.78Å
72N94.6Very high92.8Very high17 Ų1741.3 Ų41.39%0.09120%0.196CC..Hα-helixtrans-57.2-45173.7-17540.9000110.8L68 D69 N76 Y77 G78 L79 L81L68-N72 WeakPolarHBondContact O-CB 3.46Å; L68-N72 PolarHBondContact O-N 3.06Å; D69-N72 PolarHBondContact O-N 2.55Å; N72-N76 WeakPolarHBondContact O-CA 3.34Å; N72-N76 PolarHBondContact O-N 3.37Å; N72-Y77 HydrophobicContact CB-CD2 4.28Å; N72-Y77 PolarHBondContact O-N 3.48Å; N72-Y77 WeakPolarHBondContact OD1-CB 3.45Å; N72-G78 PolarHBondContact OD1-N 3.03Å; N72-L79 PolarHBondContact ND2-O 3.34Å; N72-L79 WeakPolarHBondContact OD1-CB 3.41Å; N72-L79 PolarHBondContact OD1-N 3.42Å; N72-L81 HydrophobicContact CB-CD1 4.4Å
73N95.1Very high93Very high111 Ų11140.6 Ų40.659%0.59419%0.191SC*.Hα-helixtrans-70.4-44.6176.4-70-36000112.6D69 R70 L71D69-N73 PolarHBondContact O-N 3.42Å; D69-N73 VanDerWaalsContact O-N 3.09Å; D69-N73 PolarHBondContact O-ND2 3.17Å; R70-N73 PolarHBondContact O-N 3.02Å; L71-N73 VanDerWaalsContact C-N 3.28Å; L71-N73 PolarHBondContact O-N 3.44Å
74R95.8Very high93Very high116 Ų11640.6 Ų40.644%0.43819%0.191SC..Hα-helixtrans-70.3-38.9-175-179176177.6178.5-1113.5N29 E32 R70 L71N29-R74 PolarHBondContact OD1-NH1 3.4Å; N29-R74 PolarHBondContact OD1-NH2 3.37Å; E32-R74 IonicContact OE2-NH1 2.97Å; E32-R74 PolarHBondContact OE2-NH1 2.89Å; R70-R74 WeakPolarHBondContact O-CB 3.12Å; R70-R74 PolarHBondContact O-N 2.93Å; L71-R74 PolarHBondContact O-N 3.07Å
75F95.3Very high93Very high65 Ų6540.5 Ų40.529%0.28519%0.19SC..Hα-helixtrans-108.44.4-176.1-64.9-76.6000113.2L33 H36 L71 Y77L33-F75 HydrophobicContact CD2-CZ 3.81Å; H36-F75 HydrophobicContact CB-CD2 4.22Å; H36-F75 HydrophobicContact CB-CE2 3.86Å; H36-F75 HydrophobicContact CB-CZ 4.23Å; H36-F75 AromaticContact CD2-CD1 3.98Å; H36-F75 AromaticContact CD2-CE1 3.66Å; H36-F75 AromaticContact CD2-CZ 3.74Å; H36-F75 AromaticContact CE1-CD1 3.43Å; H36-F75 VanDerWaalsContact CE1-CD1 3.43Å; H36-F75 WeakPolarHBondContact CE1-CD1 3.42Å; H36-F75 AromaticContact CE1-CE1 3.92Å; H36-F75 AromaticContact CE1-CG 3.5Å; H36-F75 VanDerWaalsContact CE1-CG 3.5Å; H36-F75 WeakPolarHBondContact CE1-CG 3.31Å; H36-F75 AromaticContact CG-CD2 3.81Å; H36-F75 AromaticContact CG-CE2 3.7Å; H36-F75 AromaticContact CG-CZ 3.81Å; H36-F75 AromaticContact ND1-CD1 3.81Å; H36-F75 AromaticContact ND1-CD2 3.57Å; H36-F75 AromaticContact ND1-CE2 3.96Å; H36-F75 AromaticContact ND1-CG 3.49Å; H36-F75 WeakPolarHBondContact ND1-CG 3.49Å; H36-F75 AromaticContact NE2-CD1 3.52Å; H36-F75 AromaticContact NE2-CE1 3.58Å; L71-F75 HydrophobicContact CB-CD2 4.3Å; L71-F75 HydrophobicContact CD2-CD2 3.73Å; L71-F75 HydrophobicContact CD2-CE2 3.48Å; L71-F75 VanDerWaalsContact CD2-CE2 3.48Å; L71-F75 WeakPolarHBondContact O-CB 3.19Å; L71-F75 PolarHBondContact O-N 2.89Å; F75-Y77 HydrophobicContact CB-CD1 3.95Å; F75-Y77 HydrophobicContact CB-CE1 3.55Å; F75-Y77 HydrophobicContact CG-CE1 4.39Å; F75-Y77 PolarHBondContact O-N 3.32Å
76N94.2Very high92.8Very high138 Ų13840.9 Ų40.974%0.73819%0.192SC*.THydrogen-bonded Turntrans51.950.3177.1-167.739.3000113.3N72 G78N72-N76 WeakPolarHBondContact O-CA 3.34Å; N72-N76 PolarHBondContact O-N 3.37Å; N76-G78 PolarHBondContact O-N 3.04Å
77Y92.9Very high92.7Very high30 Ų3042 Ų4212%0.11820%0.199CC..  trans-64.6-22.9176.6-58.4-30.7000112.4H36 I39 L71 N72 F75 L79H36-Y77 AromaticContact CE1-CE1 3.88Å; H36-Y77 AromaticContact ND1-CE1 3.6Å; H36-Y77 AromaticContact ND1-CZ 3.57Å; H36-Y77 PolarHBondContact ND1-OH 3.23Å; I39-Y77 HydrophobicContact CD1-CE2 4Å; I39-Y77 HydrophobicContact CG2-CE1 4.39Å; I39-Y77 HydrophobicContact CG2-CE2 4.06Å; L71-Y77 HydrophobicContact CB-CE2 3.78Å; N72-Y77 HydrophobicContact CB-CD2 4.28Å; N72-Y77 PolarHBondContact O-N 3.48Å; N72-Y77 WeakPolarHBondContact OD1-CB 3.45Å; F75-Y77 HydrophobicContact CB-CD1 3.95Å; F75-Y77 HydrophobicContact CB-CE1 3.55Å; F75-Y77 HydrophobicContact CG-CE1 4.39Å; F75-Y77 PolarHBondContact O-N 3.32Å; Y77-L79 VanDerWaalsContact C-N 3.33Å; Y77-L79 HydrophobicContact CD2-CD1 3.83Å; Y77-L79 HydrophobicContact CD2-CG 4.43Å; Y77-L79 HydrophobicContact CG-CD1 4.4Å
78G93.1Very high92.4Very high28 Ų2842.4 Ų42.429%0.28920%0.2SC..  trans73.821.7-179.300000113.6N48 N72 N76N48-G78 WeakPolarHBondContact CA-O 3.43Å; N48-G78 PolarHBondContact N-O 3.44Å; N72-G78 PolarHBondContact OD1-N 3.03Å; N76-G78 PolarHBondContact O-N 3.04Å
79L92Very high92.1Very high10 Ų1043.6 Ų43.65%0.05221%0.213CC..  trans-74.5143.1-177.6-50.2174.7000111.2F45 D49 V51 N72 Y77 L81F45-L79 HydrophobicContact CB-CD1 4.44Å; F45-L79 HydrophobicContact CB-CD2 3.55Å; F45-L79 HydrophobicContact CD1-CD1 4.31Å; F45-L79 HydrophobicContact CD1-CD2 4.29Å; F45-L79 HydrophobicContact CD2-CD1 3.64Å; F45-L79 HydrophobicContact CD2-CD2 4.33Å; F45-L79 HydrophobicContact CE2-CD1 3.88Å; F45-L79 HydrophobicContact CG-CD1 3.87Å; F45-L79 HydrophobicContact CG-CD2 3.82Å; F45-L79 HydrophobicContact CZ-CD1 4.32Å; D49-L79 HydrophobicContact CB-CD2 3.87Å; D49-L79 WeakPolarHBondContact O-CA 3.33Å; V51-L79 HydrophobicContact CG2-CB 4.35Å; V51-L79 HydrophobicContact CG2-CD1 4.22Å; V51-L79 HydrophobicContact CG2-CD2 4.19Å; V51-L79 HydrophobicContact CG2-CG 4.47Å; N72-L79 PolarHBondContact ND2-O 3.34Å; N72-L79 WeakPolarHBondContact OD1-CB 3.41Å; N72-L79 PolarHBondContact OD1-N 3.42Å; Y77-L79 VanDerWaalsContact C-N 3.33Å; Y77-L79 HydrophobicContact CD2-CD1 3.83Å; Y77-L79 HydrophobicContact CD2-CG 4.43Å; Y77-L79 HydrophobicContact CG-CD1 4.4Å; L79-L81 HydrophobicContact CB-CD2 3.78Å; L79-L81 HydrophobicContact CB-CG 4.45Å; L79-L81 HydrophobicContact CD1-CD2 4.2Å
80R92Very high91.5Very high159 Ų15944.7 Ų44.760%0.622%0.219SC*.EExtended strand (participates in β ladder)trans-94.3100.5165.5-69.2-176.1-73.2158.7-5.7108.8D49 V50 V51D49-R80 PolarHBondContact O-N 3.1Å; V50-R80 WeakPolarHBondContact CA-O 3.4Å; V50-R80 HydrophobicContact CG2-CB 4.19Å; V51-R80 PolarHBondContact N-O 3.41Å
81L92.4Very high90.8Very high10 Ų1051.4 Ų51.45%0.05224%0.244CC..EExtended strand (participates in β ladder)trans-83.9141.2-177.5-54.9-176.6000111.6V51 I53 L68 D69 N72 L79 L110V51-L81 HydrophobicContact CB-CD2 3.97Å; V51-L81 HydrophobicContact CG1-CD2 4.47Å; V51-L81 WeakPolarHBondContact O-CA 3.07Å; I53-L81 HydrophobicContact CD1-CB 4.5Å; I53-L81 HydrophobicContact CD1-CD2 4.41Å; L68-L81 HydrophobicContact CB-CD1 4.3Å; D69-L81 HydrophobicContact CB-CD1 4.09Å; N72-L81 HydrophobicContact CB-CD1 4.4Å; L79-L81 HydrophobicContact CB-CD2 3.78Å; L79-L81 HydrophobicContact CB-CG 4.45Å; L79-L81 HydrophobicContact CD1-CD2 4.2Å; L81-L110 HydrophobicContact CB-CD1 3.88Å; L81-L110 HydrophobicContact CB-CD2 3.93Å
82L91.6Very high89.8Confident17 Ų1754.9 Ų54.99%0.08928%0.28CS..EExtended strand (participates in β ladder)trans-140.6154.4179.6-56162.2000109.4V50 V51 I53 P111 F156V50-L82 HydrophobicContact CG1-CD1 3.27Å; V50-L82 HydrophobicContact CG1-CG 4.27Å; V51-L82 PolarHBondContact O-N 2.87Å; I53-L82 PolarHBondContact N-O 2.72Å; L82-P111 HydrophobicContact CD2-CB 3.61Å; L82-P111 HydrophobicContact CD2-CG 3.54Å; L82-F156 HydrophobicContact CB-CD2 4.44Å; L82-F156 HydrophobicContact CB-CE2 4.39Å; L82-F156 HydrophobicContact CD1-CB 3.43Å; L82-F156 VanDerWaalsContact CD1-CB 3.43Å; L82-F156 HydrophobicContact CD1-CD1 3.92Å; L82-F156 HydrophobicContact CD1-CD2 3.95Å; L82-F156 HydrophobicContact CD1-CG 3.55Å; L82-F156 HydrophobicContact CD2-CD1 4.12Å; L82-F156 HydrophobicContact CD2-CE1 4.17Å; L82-F156 HydrophobicContact CG-CG 4.5Å
83M91.9Very high88.5Confident0 Ų061.2 Ų61.20%030%0.304CS..EExtended strand (participates in β ladder)trans-109.1135.8177.5-65.1168.864.800110.7V55 L65 V101 Q104 Q105 L110 P111 L112 K113V55-M83 HydrophobicContact CB-CE 4.42Å; V55-M83 HydrophobicContact CG1-CE 4.1Å; V55-M83 HydrophobicContact CG1-CG 4.42Å; V55-M83 HydrophobicContact CG2-CB 4.13Å; V55-M83 HydrophobicContact CG2-CE 3.9Å; L65-M83 HydrophobicContact CD1-CG 4.02Å; L65-M83 HydrophobicContact CD1-SD 4.41Å; L65-M83 HydrophobicContact CD2-CE 3.94Å; L65-M83 HydrophobicContact CD2-CG 4.49Å; L65-M83 HydrophobicContact CD2-SD 4.04Å; M83-V101 HydrophobicContact CE-CG1 4.14Å; M83-Q104 HydrophobicContact CE-CB 3.78Å; M83-Q105 HydrophobicContact CE-CB 4.11Å; M83-Q105 HydrophobicContact SD-CB 4.09Å; M83-Q105 HydrophobicContact SD-CG 4.48Å; M83-L110 HydrophobicContact CG-CB 4.16Å; M83-L110 HydrophobicContact CG-CD1 4.33Å; M83-L110 HydrophobicContact SD-CB 4.04Å; M83-P111 PolarHBondContact N-O 3.34Å; M83-L112 HydrophobicContact CB-CB 4.36Å; M83-L112 HydrophobicContact CB-CD1 3.6Å; M83-L112 HydrophobicContact CE-CD1 4.39Å; M83-L112 CarbonylContact O-C 3.46Å; M83-L112 WeakPolarHBondContact O-CA 3.12Å; M83-K113 PolarHBondContact O-N 3.48Å
84V90Very high87Confident0 Ų057.1 Ų57.10%028%0.28CS..EExtended strand (participates in β ladder)trans-125.1121.9172.7179.70000109.2A52 I53 G54 V55 I86 K113 L149 F156A52-V84 HydrophobicContact CB-CG2 3.93Å; I53-V84 PolarHBondContact O-N 2.87Å; G54-V84 CarbonylContact C-O 3.56Å; G54-V84 WeakPolarHBondContact CA-O 3.48Å; V55-V84 PolarHBondContact N-O 3.14Å; V84-I86 HydrophobicContact CG1-CD1 3.89Å; V84-K113 CarbonylContact C-O 3.59Å; V84-K113 WeakPolarHBondContact CA-O 3.37Å; V84-L149 HydrophobicContact CB-CD2 4.31Å; V84-L149 HydrophobicContact CG1-CD2 3.93Å; V84-F156 HydrophobicContact CG2-CD2 4.39Å; V84-F156 HydrophobicContact CG2-CE2 4.14Å
85A89.6Confident85.6Confident0 Ų057.7 Ų57.70%029%0.291CS..EExtended strand (participates in β ladder)trans-115.6142.7173.500000110.5V55 V101 L112 K113 I114 L115V55-A85 HydrophobicContact CG2-CB 4.03Å; V55-A85 WeakPolarHBondContact O-CA 3.42Å; A85-V101 HydrophobicContact CB-CG1 4.14Å; A85-L112 HydrophobicContact CB-CD1 4.25Å; A85-K113 PolarHBondContact N-O 3.41Å; A85-I114 HydrophobicContact CB-CG1 4.29Å; A85-I114 VanDerWaalsContact O-CA 3.32Å; A85-I114 WeakPolarHBondContact O-CA 3.42Å; A85-L115 PolarHBondContact O-N 3.28Å
86I87.9Confident84.4Confident8 Ų860.4 Ų60.44%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-114.1114.7-175.2-57.8-49.2000110.3V84 E88 R94 L115 Y117 R145 A148 L149V84-I86 HydrophobicContact CG1-CD1 3.89Å; I86-E88 PolarHBondContact O-N 3.25Å; I86-R94 VanDerWaalsContact C-CZ 3.46Å; I86-R94 PolarHBondContact O-NH1 3.47Å; I86-R94 PolarHBondContact O-NH2 3.33Å; I86-L115 CarbonylContact C-O 3.05Å; I86-L115 WeakPolarHBondContact CA-O 3.45Å; I86-L115 HydrophobicContact CD1-CB 4.08Å; I86-L115 HydrophobicContact CD1-CD1 4.36Å; I86-Y117 HydrophobicContact CG2-CD1 3.75Å; I86-Y117 HydrophobicContact CG2-CE1 3.25Å; I86-R145 HydrophobicContact CG1-CG 4.49Å; I86-A148 HydrophobicContact CD1-CB 3.62Å; I86-A148 HydrophobicContact CG1-CB 4.01Å; I86-A148 HydrophobicContact CG2-CB 3.81Å; I86-L149 HydrophobicContact CD1-CD2 4.04Å; I86-L149 HydrophobicContact CD1-CG 4.25Å; I86-L149 HydrophobicContact CG1-CD2 3.76Å; I86-L149 HydrophobicContact CG1-CG 3.86Å
87D89.6Confident83.6Confident45 Ų4554.6 Ų54.624%0.24128%0.279CS..EExtended strand (participates in β ladder)trans-80.998172.8-169.8-2.4000112.5G89 R94 I114 L115 S116 Y117D87-G89 PolarHBondContact O-N 3.42Å; D87-G89 WeakPolarHBondContact OD1-CA 3.04Å; D87-G89 PolarHBondContact OD1-N 3.17Å; D87-R94 VanDerWaalsContact N-NH2 3.14Å; D87-R94 WeakPolarHBondContact OD1-CD 3.44Å; D87-R94 IonicContact OD1-CZ 2.69Å; D87-R94 IonicContact OD1-NE 3.73Å; D87-R94 PolarHBondContact OD1-NE 2.84Å; D87-R94 IonicContact OD2-NE 2.89Å; D87-I114 HydrophobicContact CB-CG2 4.32Å; D87-L115 PolarHBondContact N-O 3.17Å; D87-S116 CarbonylContact O-C 3.58Å; D87-S116 VanDerWaalsContact O-CA 3.23Å; D87-S116 WeakPolarHBondContact O-CA 3.4Å; D87-Y117 PolarHBondContact O-N 2.69Å
88E86.8Confident83.1Confident12 Ų1254.6 Ų54.66%0.05628%0.281CS..  trans-68.9-18176.8-62.597.716300113.4I86 I90 R94 Y117 M125 R145I86-E88 PolarHBondContact O-N 3.25Å; E88-I90 HydrophobicContact CB-CD1 4.1Å; E88-I90 HydrophobicContact CB-CG1 4.04Å; E88-R94 IonicContact OE2-CZ 3.68Å; E88-R94 IonicContact OE2-NH1 3.64Å; E88-R94 PolarHBondContact OE2-NH1 3.17Å; E88-Y117 HydrophobicContact CB-CD2 3.97Å; E88-Y117 HydrophobicContact CB-CE2 3.71Å; E88-Y117 HydrophobicContact CG-CD2 4.16Å; E88-Y117 HydrophobicContact CG-CE1 4.31Å; E88-Y117 HydrophobicContact CG-CE2 3.45Å; E88-Y117 VanDerWaalsContact CG-CE2 3.45Å; E88-M125 HydrophobicContact CB-CB 4.31Å; E88-M125 HydrophobicContact CB-CG 3.7Å; E88-M125 HydrophobicContact CG-CG 4.34Å; E88-M125 WeakPolarHBondContact O-CB 3.35Å; E88-M125 PolarHBondContact O-N 3.31Å; E88-R145 IonicContact OE1-CZ 3.25Å; E88-R145 VanDerWaalsContact OE1-CZ 3.25Å; E88-R145 IonicContact OE1-NE 3.01Å; E88-R145 PolarHBondContact OE1-NE 2.87Å; E88-R145 IonicContact OE1-NH2 2.67Å; E88-R145 PolarHBondContact OE1-NH2 3.48Å
89G86.3Confident82.9Confident27 Ų2758 Ų5828%0.27829%0.29SS..  trans70.440.8-175.700000113.5D87 D126D87-G89 PolarHBondContact O-N 3.42Å; D87-G89 WeakPolarHBondContact OD1-CA 3.04Å; D87-G89 PolarHBondContact OD1-N 3.17Å; G89-D126 VanDerWaalsContact O-CG 3.31Å
90I82.5Confident82.7Confident59 Ų5959.6 Ų59.630%0.30330%0.301SS..  trans-94.1114.6173.6-58172.1000108.8E88 G92 Y93 M125 D126E88-I90 HydrophobicContact CB-CD1 4.1Å; E88-I90 HydrophobicContact CB-CG1 4.04Å; I90-G92 PolarHBondContact O-N 3.33Å; I90-Y93 PolarHBondContact O-N 3.39Å; I90-M125 HydrophobicContact CD1-CB 4.21Å; I90-M125 HydrophobicContact CD1-CG 4.44Å; I90-M125 HydrophobicContact CG1-CB 3.65Å; I90-M125 HydrophobicContact CG1-CG 4.3Å; I90-D126 WeakPolarHBondContact CA-OD1 3.5Å
91R78.1Confident82.6Confident227 Ų22752.1 Ų52.186%0.85727%0.273SS*.THydrogen-bonded Turntrans-59.4132.7-179.4-75.3170.3-174.8-160.42.3112Y93 D126R91-Y93 VanDerWaalsContact C-N 3.26Å; R91-Y93 PolarHBondContact O-N 3.14Å; R91-D126 WeakPolarHBondContact CB-OD2 3Å; R91-D126 WeakPolarHBondContact CG-OD2 3.26Å; R91-D126 PolarHBondContact N-OD2 3.1Å
92G73.8Confident82.6Confident73 Ų7357 Ų5775%0.75329%0.292SS*.THydrogen-bonded Turntrans77.7-6.2173.800000116.2I90I90-G92 PolarHBondContact O-N 3.33Å
93Y67.4Low82.6Confident151 Ų15162 Ų6259%0.59231%0.313SS*.THydrogen-bonded Turntrans-93.6-23.9177.7-175.5-107.7000113I90 R91 S97I90-Y93 PolarHBondContact O-N 3.39Å; R91-Y93 VanDerWaalsContact C-N 3.26Å; R91-Y93 PolarHBondContact O-N 3.14Å; Y93-S97 PolarHBondContact O-OG 3.42Å
94R63.9Low82.6Confident24 Ų2463.1 Ų63.19%0.09132%0.318CS..Hα-helixtrans-94.4-21.7-161.9-162.9165.6-170.393.12.1115.9I86 D87 E88 D96 S97 L98I86-R94 VanDerWaalsContact C-CZ 3.46Å; I86-R94 PolarHBondContact O-NH1 3.47Å; I86-R94 PolarHBondContact O-NH2 3.33Å; D87-R94 VanDerWaalsContact N-NH2 3.14Å; D87-R94 WeakPolarHBondContact OD1-CD 3.44Å; D87-R94 IonicContact OD1-CZ 2.69Å; D87-R94 IonicContact OD1-NE 3.73Å; D87-R94 PolarHBondContact OD1-NE 2.84Å; D87-R94 IonicContact OD2-NE 2.89Å; E88-R94 IonicContact OE2-CZ 3.68Å; E88-R94 IonicContact OE2-NH1 3.64Å; E88-R94 PolarHBondContact OE2-NH1 3.17Å; R94-D96 PolarHBondContact O-N 3.11Å; R94-S97 WeakPolarHBondContact CA-OG 3.23Å; R94-S97 PolarHBondContact O-N 2.93Å; R94-S97 PolarHBondContact O-OG 3.2Å; R94-L98 HydrophobicContact CG-CD1 3.69Å; R94-L98 HydrophobicContact CG-CG 3.64Å; R94-L98 WeakPolarHBondContact O-CB 3.3Å; R94-L98 PolarHBondContact O-N 3.11Å
95D66.1Low82.8Confident128 Ų12866.1 Ų66.168%0.68433%0.332SS*.Hα-helixtrans-61.2-46.3-176.3-61.8-27.9000111.1E99D95-E99 PolarHBondContact O-N 3.35Å
96D70.7Confident83.1Confident123 Ų12374.6 Ų74.666%0.65837%0.369SS*.Hα-helixtrans-71-36.5178.8-63.4-15.4000113.1R94 S100R94-D96 PolarHBondContact O-N 3.11Å; D96-S100 PolarHBondContact O-N 3.27Å; D96-S100 PolarHBondContact O-OG 3.06Å
97S76.3Confident83.4Confident16 Ų1680.4 Ų80.411%0.11239%0.39CS..Hα-helixtrans-74.4-37.2-177.153.80000112.3Y93 R94 S100 V101Y93-S97 PolarHBondContact O-OG 3.42Å; R94-S97 WeakPolarHBondContact CA-OG 3.23Å; R94-S97 PolarHBondContact O-N 2.93Å; R94-S97 PolarHBondContact O-OG 3.2Å; S97-S100 WeakPolarHBondContact O-CB 3.39Å; S97-S100 PolarHBondContact O-N 2.96Å; S97-V101 WeakPolarHBondContact O-CG2 3.32Å; S97-V101 PolarHBondContact O-N 3.38Å; S97-V101 VanDerWaalsContact O-N 3.14Å
98L83.7Confident83.6Confident30 Ų3079.5 Ų79.516%0.15738%0.384CS..Hα-helixtrans-68.1-38.1173.3-78.6177.3000112.2R94 S100 V101 Y102 I114R94-L98 HydrophobicContact CG-CD1 3.69Å; R94-L98 HydrophobicContact CG-CG 3.64Å; R94-L98 WeakPolarHBondContact O-CB 3.3Å; R94-L98 PolarHBondContact O-N 3.11Å; L98-S100 PolarHBondContact O-N 3.39Å; L98-V101 PolarHBondContact O-N 3.05Å; L98-V101 VanDerWaalsContact O-N 3.1Å; L98-Y102 HydrophobicContact CB-CD2 4.34Å; L98-Y102 HydrophobicContact CB-CE2 4.07Å; L98-Y102 WeakPolarHBondContact O-CD2 3.34Å; L98-Y102 PolarHBondContact O-N 2.71Å; L98-I114 HydrophobicContact CD2-CD1 3.89Å
99E87.5Confident84Confident100 Ų10084.3 Ų84.347%0.46742%0.417SS..Hα-helixtrans-56.8-43.1175-164-161.8166.700110.9D95 V101 Y102 K103D95-E99 PolarHBondContact O-N 3.35Å; E99-V101 PolarHBondContact O-N 3.37Å; E99-Y102 PolarHBondContact O-N 3.39Å; E99-K103 WeakPolarHBondContact O-CG 3.36Å; E99-K103 PolarHBondContact O-N 3.47Å; E99-K103 WeakPolarHBondContact OE1-CE 3.32Å; E99-K103 IonicContact OE1-NZ 3.2Å; E99-K103 PolarHBondContact OE1-NZ 2.87Å; E99-K103 IonicContact OE2-NZ 3.42Å
100S87.9Confident84.3Confident43 Ų4384 Ų8430%0.30141%0.41SS..Hα-helixtrans-62.7-40.5176-61.30000112.5D96 S97 L98 K103 Q104D96-S100 PolarHBondContact O-N 3.27Å; D96-S100 PolarHBondContact O-OG 3.06Å; S97-S100 WeakPolarHBondContact O-CB 3.39Å; S97-S100 PolarHBondContact O-N 2.96Å; L98-S100 PolarHBondContact O-N 3.39Å; S100-K103 PolarHBondContact O-N 2.88Å; S100-Q104 WeakPolarHBondContact O-CG 3.37Å; S100-Q104 PolarHBondContact O-N 3.33Å
101V90.5Very high84.8Confident1 Ų184.3 Ų84.31%0.00642%0.415CS..Hα-helixtrans-64.7-43.1175171.60000111.5V55 M83 A85 S97 L98 E99 Q104 Q105 L112V55-V101 HydrophobicContact CB-CG2 4.33Å; V55-V101 HydrophobicContact CG2-CG1 3.74Å; V55-V101 HydrophobicContact CG2-CG2 4.07Å; M83-V101 HydrophobicContact CE-CG1 4.14Å; A85-V101 HydrophobicContact CB-CG1 4.14Å; S97-V101 WeakPolarHBondContact O-CG2 3.32Å; S97-V101 PolarHBondContact O-N 3.38Å; S97-V101 VanDerWaalsContact O-N 3.14Å; L98-V101 PolarHBondContact O-N 3.05Å; L98-V101 VanDerWaalsContact O-N 3.1Å; E99-V101 PolarHBondContact O-N 3.37Å; V101-Q104 WeakPolarHBondContact O-CB 3.46Å; V101-Q104 PolarHBondContact O-N 2.99Å; V101-Q105 PolarHBondContact O-N 3.4Å; V101-L112 HydrophobicContact CG1-CD1 3.7Å; V101-L112 HydrophobicContact CG1-CD2 3.77Å; V101-L112 HydrophobicContact CG1-CG 4.42Å
102Y92.1Very high85.5Confident113 Ų11375 Ų7544%0.44338%0.382SS..Hα-helixtrans-66-38.2177.2-71.3-59.1000112.3L98 E99 Q104 Q105 K106 L112 I114L98-Y102 HydrophobicContact CB-CD2 4.34Å; L98-Y102 HydrophobicContact CB-CE2 4.07Å; L98-Y102 WeakPolarHBondContact O-CD2 3.34Å; L98-Y102 PolarHBondContact O-N 2.71Å; E99-Y102 PolarHBondContact O-N 3.39Å; Y102-Q104 VanDerWaalsContact C-N 3.32Å; Y102-Q104 PolarHBondContact O-N 3.32Å; Y102-Q105 PolarHBondContact O-N 3.04Å; Y102-K106 WeakPolarHBondContact O-CB 3.34Å; Y102-K106 PolarHBondContact O-N 3.34Å; Y102-L112 HydrophobicContact CD1-CD2 3.97Å; Y102-L112 HydrophobicContact CE1-CD2 3.88Å; Y102-I114 HydrophobicContact CE1-CD1 4.12Å; Y102-I114 VanDerWaalsContact OH-CD1 3.23Å; Y102-I114 WeakPolarHBondContact OH-CD1 3.36Å
103K92.6Very high86.3Confident121 Ų12175.3 Ų75.353%0.52636%0.363SS..Hα-helixtrans-59-44.1172.3-75.7171.9-177.7163.80111.3E99 S100 K106 R107E99-K103 WeakPolarHBondContact O-CG 3.36Å; E99-K103 PolarHBondContact O-N 3.47Å; E99-K103 WeakPolarHBondContact OE1-CE 3.32Å; E99-K103 IonicContact OE1-NZ 3.2Å; E99-K103 PolarHBondContact OE1-NZ 2.87Å; E99-K103 IonicContact OE2-NZ 3.42Å; S100-K103 PolarHBondContact O-N 2.88Å; K103-K106 PolarHBondContact O-N 2.87Å; K103-R107 WeakPolarHBondContact O-CB 3.4Å; K103-R107 PolarHBondContact O-N 3.04Å
104Q92.1Very high87.4Confident24 Ų2470.7 Ų70.711%0.11235%0.348CS..Hα-helixtrans-64.3-45.8175.6-72.6171.5-800112.1L65 M83 S100 V101 Y102 K106 R107 Y108L65-Q104 HydrophobicContact CD2-CB 3.81Å; L65-Q104 HydrophobicContact CD2-CG 4.26Å; M83-Q104 HydrophobicContact CE-CB 3.78Å; S100-Q104 WeakPolarHBondContact O-CG 3.37Å; S100-Q104 PolarHBondContact O-N 3.33Å; V101-Q104 WeakPolarHBondContact O-CB 3.46Å; V101-Q104 PolarHBondContact O-N 2.99Å; Y102-Q104 VanDerWaalsContact C-N 3.32Å; Y102-Q104 PolarHBondContact O-N 3.32Å; Q104-K106 VanDerWaalsContact C-N 3.28Å; Q104-K106 PolarHBondContact O-N 2.78Å; Q104-R107 PolarHBondContact O-N 3.37Å; Q104-R107 VanDerWaalsContact O-N 3.09Å; Q104-Y108 VanDerWaalsContact O-CD2 3.26Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.07Å; Q104-Y108 PolarHBondContact O-N 2.93Å
105Q94.5Very high88.6Confident64 Ų6470 Ų7030%0.29935%0.346SS..Hα-helixtrans-55.7-46.7177.3-174.6-156.75.900110.8M83 V101 Y102 C109 L110 L112M83-Q105 HydrophobicContact CE-CB 4.11Å; M83-Q105 HydrophobicContact SD-CB 4.09Å; M83-Q105 HydrophobicContact SD-CG 4.48Å; V101-Q105 PolarHBondContact O-N 3.4Å; Y102-Q105 PolarHBondContact O-N 3.04Å; Q105-C109 WeakPolarHBondContact O-CA 3.25Å; Q105-C109 PolarHBondContact O-N 3.35Å; Q105-L110 VanDerWaalsContact CG-O 3.24Å; Q105-L110 WeakPolarHBondContact CG-O 3.16Å; Q105-L112 HydrophobicContact CB-CD2 4.4Å; Q105-L112 HydrophobicContact CG-CB 3.86Å; Q105-L112 HydrophobicContact CG-CD2 4.43Å
106K94.6Very high89.8Confident178 Ų17864.8 Ų64.877%0.77432%0.319SS*.Hα-helixtrans-65.5-37.7177.8-172.6177.8179.8-179.20112.3Y102 K103 Q104Y102-K106 WeakPolarHBondContact O-CB 3.34Å; Y102-K106 PolarHBondContact O-N 3.34Å; K103-K106 PolarHBondContact O-N 2.87Å; Q104-K106 VanDerWaalsContact C-N 3.28Å; Q104-K106 PolarHBondContact O-N 2.78Å
107R94.1Very high90.8Very high129 Ų12958.9 Ų58.949%0.48729%0.288SS..Hα-helixtrans-67-43.5-179.8-178.9176.7-177.7163.22.8112.7K103 Q104 I186K103-R107 WeakPolarHBondContact O-CB 3.4Å; K103-R107 PolarHBondContact O-N 3.04Å; Q104-R107 PolarHBondContact O-N 3.37Å; Q104-R107 VanDerWaalsContact O-N 3.09Å; R107-I186 VanDerWaalsContact CZ-O 3.24Å; R107-I186 VanDerWaalsContact NH1-CG2 3.34Å; R107-I186 PolarHBondContact NH1-O 3.16Å; R107-I186 PolarHBondContact NH2-O 3.15Å
108Y94.4Very high91.5Very high26 Ų2662.7 Ų62.710%0.10230%0.302CS..Hα-helixtrans-97.8-5.6-175.8-63-75.1000113.5L65 H66 D69 Q104 L110L65-Y108 HydrophobicContact CD2-CD2 3.52Å; L65-Y108 HydrophobicContact CD2-CE2 3.74Å; L65-Y108 HydrophobicContact CD2-CG 4.45Å; L65-Y108 HydrophobicContact CG-CD2 3.83Å; L65-Y108 HydrophobicContact CG-CE2 3.95Å; L65-Y108 HydrophobicContact CG-CG 4.41Å; H66-Y108 WeakPolarHBondContact CA-OH 3.28Å; H66-Y108 WeakPolarHBondContact CB-OH 3.38Å; H66-Y108 AromaticContact ND1-CE1 3.92Å; H66-Y108 AromaticContact ND1-CZ 3.79Å; H66-Y108 PolarHBondContact ND1-OH 3.27Å; D69-Y108 HydrophobicContact CB-CD1 3.89Å; D69-Y108 HydrophobicContact CB-CE1 4.17Å; Q104-Y108 VanDerWaalsContact O-CD2 3.26Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.07Å; Q104-Y108 PolarHBondContact O-N 2.93Å; Y108-L110 PolarHBondContact O-N 3.18Å
109C94.9Very high91.8Very high113 Ų11367.7 Ų67.776%0.76433%0.329SS*.THydrogen-bonded Turntrans54.335.7-178.5-62.70000113.6Q105Q105-C109 WeakPolarHBondContact O-CA 3.25Å; Q105-C109 PolarHBondContact O-N 3.35Å
110L93Very high92Very high22 Ų2264.2 Ų64.212%0.11531%0.314CS..  trans-96.8146.5-178.2-60.5177.9000111.7L65 L81 M83 Q105 Y108 L112L65-L110 HydrophobicContact CD1-CD1 3.69Å; L81-L110 HydrophobicContact CB-CD1 3.88Å; L81-L110 HydrophobicContact CB-CD2 3.93Å; M83-L110 HydrophobicContact CG-CB 4.16Å; M83-L110 HydrophobicContact CG-CD1 4.33Å; M83-L110 HydrophobicContact SD-CB 4.04Å; Q105-L110 VanDerWaalsContact CG-O 3.24Å; Q105-L110 WeakPolarHBondContact CG-O 3.16Å; Y108-L110 PolarHBondContact O-N 3.18Å; L110-L112 PolarHBondContact O-N 3.28Å
111P92.8Very high92Very high64 Ų6464.1 Ų64.142%0.41631%0.308SS..  trans-59.9135.9170.7-22.733.4000111.3L82 M83 F156L82-P111 HydrophobicContact CD2-CB 3.61Å; L82-P111 HydrophobicContact CD2-CG 3.54Å; M83-P111 PolarHBondContact N-O 3.34Å; P111-F156 HydrophobicContact CB-CE1 4.25Å; P111-F156 HydrophobicContact CB-CZ 4.47Å
112L92.5Very high92.1Very high33 Ų3365.9 Ų65.917%0.17333%0.326CS..EExtended strand (participates in β ladder)trans-117.5130179174.767.5000110V55 M83 A85 V101 Y102 Q105 L110 I114V55-L112 HydrophobicContact CG2-CD1 4.25Å; M83-L112 HydrophobicContact CB-CB 4.36Å; M83-L112 HydrophobicContact CB-CD1 3.6Å; M83-L112 HydrophobicContact CE-CD1 4.39Å; M83-L112 CarbonylContact O-C 3.46Å; M83-L112 WeakPolarHBondContact O-CA 3.12Å; A85-L112 HydrophobicContact CB-CD1 4.25Å; V101-L112 HydrophobicContact CG1-CD1 3.7Å; V101-L112 HydrophobicContact CG1-CD2 3.77Å; V101-L112 HydrophobicContact CG1-CG 4.42Å; Y102-L112 HydrophobicContact CD1-CD2 3.97Å; Y102-L112 HydrophobicContact CE1-CD2 3.88Å; Q105-L112 HydrophobicContact CB-CD2 4.4Å; Q105-L112 HydrophobicContact CG-CB 3.86Å; Q105-L112 HydrophobicContact CG-CD2 4.43Å; L110-L112 PolarHBondContact O-N 3.28Å; L112-I114 HydrophobicContact CD1-CG1 4.48Å; L112-I114 HydrophobicContact CD2-CD1 4.15Å; L112-I114 HydrophobicContact CD2-CG1 4.08Å; L112-I114 HydrophobicContact CG-CG1 4.09Å
113K90.4Very high91.9Very high78 Ų7864.8 Ų64.834%0.33932%0.321SS..EExtended strand (participates in β ladder)trans-112.1126.2164.3-173.670.2172.8-1790109.7M83 V84 A85 L115 F156M83-K113 PolarHBondContact O-N 3.48Å; V84-K113 CarbonylContact C-O 3.59Å; V84-K113 WeakPolarHBondContact CA-O 3.37Å; A85-K113 PolarHBondContact N-O 3.41Å; K113-L115 HydrophobicContact CD-CD2 4.41Å; K113-L115 HydrophobicContact CG-CD2 3.94Å; K113-L115 HydrophobicContact CG-CG 4.11Å; K113-F156 HydrophobicContact CB-CD2 4.37Å; K113-F156 HydrophobicContact CB-CE2 3.29Å; K113-F156 HydrophobicContact CB-CZ 3.47Å; K113-F156 VanDerWaalsContact CB-CZ 3.47Å; K113-F156 HydrophobicContact CG-CE2 4.28Å
114I90.3Very high91.8Very high54 Ų5459.8 Ų59.828%0.27730%0.302SS..EExtended strand (participates in β ladder)trans-101.6129.6168.1-52.4179.3000107.4A85 D87 L98 Y102 L112A85-I114 HydrophobicContact CB-CG1 4.29Å; A85-I114 VanDerWaalsContact O-CA 3.32Å; A85-I114 WeakPolarHBondContact O-CA 3.42Å; D87-I114 HydrophobicContact CB-CG2 4.32Å; L98-I114 HydrophobicContact CD2-CD1 3.89Å; Y102-I114 HydrophobicContact CE1-CD1 4.12Å; Y102-I114 VanDerWaalsContact OH-CD1 3.23Å; Y102-I114 WeakPolarHBondContact OH-CD1 3.36Å; L112-I114 HydrophobicContact CD1-CG1 4.48Å; L112-I114 HydrophobicContact CD2-CD1 4.15Å; L112-I114 HydrophobicContact CD2-CG1 4.08Å; L112-I114 HydrophobicContact CG-CG1 4.09Å
115L90Very high91.7Very high11 Ų1159 Ų596%0.05830%0.298CS..EExtended strand (participates in β ladder)trans-120.1137.6174-63.2177.7000109.1A85 I86 D87 K113 L120 A148 G152 F155A85-L115 PolarHBondContact O-N 3.28Å; I86-L115 CarbonylContact C-O 3.05Å; I86-L115 WeakPolarHBondContact CA-O 3.45Å; I86-L115 HydrophobicContact CD1-CB 4.08Å; I86-L115 HydrophobicContact CD1-CD1 4.36Å; D87-L115 PolarHBondContact N-O 3.17Å; K113-L115 HydrophobicContact CD-CD2 4.41Å; K113-L115 HydrophobicContact CG-CD2 3.94Å; K113-L115 HydrophobicContact CG-CG 4.11Å; L115-L120 HydrophobicContact CB-CD1 3.91Å; L115-L120 HydrophobicContact CB-CG 4.38Å; L115-L120 HydrophobicContact CD1-CD1 4.21Å; L115-L120 HydrophobicContact CD1-CD2 4.42Å; L115-A148 WeakPolarHBondContact CD1-O 3.37Å; L115-G152 VanDerWaalsContact CD1-CA 3.41Å; L115-F155 HydrophobicContact CD1-CD2 4.13Å; L115-F155 HydrophobicContact CD1-CE2 4.22Å; L115-F155 HydrophobicContact CD2-CD2 3.91Å; L115-F155 HydrophobicContact CD2-CE2 3.72Å; L115-F155 HydrophobicContact CD2-CZ 4.46Å
116S91.5Very high91.4Very high17 Ų1758.4 Ų58.412%0.11930%0.297CS..EExtended strand (participates in β ladder)trans-102.3149.6175.580.60000112.1D87 K118 D119 L120D87-S116 CarbonylContact O-C 3.58Å; D87-S116 VanDerWaalsContact O-CA 3.23Å; D87-S116 WeakPolarHBondContact O-CA 3.4Å; S116-K118 PolarHBondContact O-N 3.41Å; S116-K118 PolarHBondContact OG-N 3.18Å; S116-D119 PolarHBondContact O-N 3.27Å; S116-D119 WeakPolarHBondContact OG-CB 3.12Å; S116-D119 PolarHBondContact OG-N 3.3Å; S116-D119 PolarHBondContact OG-OD2 3.26Å; S116-L120 WeakPolarHBondContact O-CB 3.45Å; S116-L120 VanDerWaalsContact O-CG 3.27Å; S116-L120 WeakPolarHBondContact O-CG 3.46Å; S116-L120 PolarHBondContact O-N 2.94Å
117Y91.1Very high91.2Very high0 Ų052.8 Ų52.80%027%0.273CS..Hα-helixtrans-61-32.8169.6-72-7.5000111.5I86 D87 E88 D119 L120 F121 G122 W123 M125 C141 F144 R145 A148I86-Y117 HydrophobicContact CG2-CD1 3.75Å; I86-Y117 HydrophobicContact CG2-CE1 3.25Å; D87-Y117 PolarHBondContact O-N 2.69Å; E88-Y117 HydrophobicContact CB-CD2 3.97Å; E88-Y117 HydrophobicContact CB-CE2 3.71Å; E88-Y117 HydrophobicContact CG-CD2 4.16Å; E88-Y117 HydrophobicContact CG-CE1 4.31Å; E88-Y117 HydrophobicContact CG-CE2 3.45Å; E88-Y117 VanDerWaalsContact CG-CE2 3.45Å; Y117-D119 VanDerWaalsContact C-N 3.33Å; Y117-D119 PolarHBondContact O-N 3.34Å; Y117-L120 PolarHBondContact O-N 3.31Å; Y117-F121 AromaticContact CD1-CD2 3.97Å; Y117-F121 HydrophobicContact CD1-CD2 3.97Å; Y117-F121 AromaticContact CD1-CE2 3.72Å; Y117-F121 HydrophobicContact CD1-CE2 3.72Å; Y117-F121 HydrophobicContact CE1-CE2 4.13Å; Y117-F121 HydrophobicContact CG-CD2 4.15Å; Y117-F121 HydrophobicContact CG-CE2 4.35Å; Y117-F121 WeakPolarHBondContact O-CA 3.39Å; Y117-F121 WeakPolarHBondContact O-CB 3.09Å; Y117-F121 PolarHBondContact O-N 3.26Å; Y117-G122 PolarHBondContact O-N 3.45Å; Y117-W123 CarbonylContact C-O 3.59Å; Y117-W123 WeakPolarHBondContact CB-O 3.15Å; Y117-W123 VanDerWaalsContact O-O 3.11Å; Y117-M125 HydrophobicContact CD2-CG 3.61Å; Y117-M125 HydrophobicContact CD2-SD 3.92Å; Y117-M125 HydrophobicContact CE2-CG 3.42Å; Y117-M125 VanDerWaalsContact CE2-CG 3.42Å; Y117-M125 HydrophobicContact CE2-SD 3.58Å; Y117-M125 VanDerWaalsContact CE2-SD 3.58Å; Y117-C141 PolarHBondContact OH-O 2.72Å; Y117-F144 HydrophobicContact CD1-CB 4.26Å; Y117-F144 HydrophobicContact CD2-CB 4.31Å; Y117-F144 HydrophobicContact CD2-CD2 4.1Å; Y117-F144 HydrophobicContact CE1-CB 3.71Å; Y117-F144 HydrophobicContact CE2-CB 3.83Å; Y117-F144 HydrophobicContact CE2-CD2 4.22Å; Y117-R145 VanDerWaalsContact OH-CA 3.27Å; Y117-R145 WeakPolarHBondContact OH-CA 3.29Å; Y117-R145 VanDerWaalsContact OH-CB 3.28Å; Y117-R145 WeakPolarHBondContact OH-CB 3.16Å; Y117-R145 PolarHBondContact OH-N 3.11Å; Y117-A148 HydrophobicContact CD1-CB 4.42Å; Y117-A148 HydrophobicContact CE1-CB 4.07Å
118K90.8Very high90.9Very high96 Ų9647.2 Ų47.242%0.41725%0.254SS..Hα-helixtrans-60.6-45176.9-166.667.4-179.7173.20111.2S116 G122 W123 E127S116-K118 PolarHBondContact O-N 3.41Å; S116-K118 PolarHBondContact OG-N 3.18Å; K118-G122 PolarHBondContact NZ-O 2.92Å; K118-G122 WeakPolarHBondContact O-CA 3.21Å; K118-G122 PolarHBondContact O-N 3.25Å; K118-W123 PolarHBondContact N-O 3.45Å; K118-E127 IonicContact NZ-OE1 2.72Å; K118-E127 PolarHBondContact NZ-OE1 3.35Å; K118-E127 IonicContact NZ-OE2 2.93Å; K118-E127 PolarHBondContact NZ-OE2 3.39Å
119D90.7Very high90.7Very high134 Ų13447.8 Ų47.872%0.71726%0.26SS*.Hα-helixtrans-73.2-37.5179.3-58.8-36000112.2S116 Y117S116-D119 PolarHBondContact O-N 3.27Å; S116-D119 WeakPolarHBondContact OG-CB 3.12Å; S116-D119 PolarHBondContact OG-N 3.3Å; S116-D119 PolarHBondContact OG-OD2 3.26Å; Y117-D119 VanDerWaalsContact C-N 3.33Å; Y117-D119 PolarHBondContact O-N 3.34Å
120L90.1Very high90.4Very high27 Ų2746.9 Ų46.914%0.14126%0.255CS..Hα-helixtrans-80.9-34.5-174.9-69175.3000114L115 S116 Y117 A148 R151L115-L120 HydrophobicContact CB-CD1 3.91Å; L115-L120 HydrophobicContact CB-CG 4.38Å; L115-L120 HydrophobicContact CD1-CD1 4.21Å; L115-L120 HydrophobicContact CD1-CD2 4.42Å; S116-L120 WeakPolarHBondContact O-CB 3.45Å; S116-L120 VanDerWaalsContact O-CG 3.27Å; S116-L120 WeakPolarHBondContact O-CG 3.46Å; S116-L120 PolarHBondContact O-N 2.94Å; Y117-L120 PolarHBondContact O-N 3.31Å; L120-A148 HydrophobicContact CD1-CB 3.35Å; L120-R151 HydrophobicContact CD2-CB 4.39Å; L120-R151 PolarHBondContact O-NH1 2.84Å
121F89.2Confident90.1Very high42 Ų4254.2 Ų54.218%0.18428%0.281CS..Hα-helixtrans-129.2-7.7-168.7-50.1-62.3000113.2Y117 W123 F144 Q147 A148Y117-F121 AromaticContact CD1-CD2 3.97Å; Y117-F121 HydrophobicContact CD1-CD2 3.97Å; Y117-F121 AromaticContact CD1-CE2 3.72Å; Y117-F121 HydrophobicContact CD1-CE2 3.72Å; Y117-F121 HydrophobicContact CE1-CE2 4.13Å; Y117-F121 HydrophobicContact CG-CD2 4.15Å; Y117-F121 HydrophobicContact CG-CE2 4.35Å; Y117-F121 WeakPolarHBondContact O-CA 3.39Å; Y117-F121 WeakPolarHBondContact O-CB 3.09Å; Y117-F121 PolarHBondContact O-N 3.26Å; F121-W123 PolarHBondContact O-N 3.47Å; F121-F144 HydrophobicContact CD2-CB 4.26Å; F121-F144 HydrophobicContact CD2-CD2 4.14Å; F121-F144 HydrophobicContact CD2-CG 4.1Å; F121-F144 HydrophobicContact CE2-CB 3.79Å; F121-F144 HydrophobicContact CE2-CG 4.06Å; F121-F144 HydrophobicContact CZ-CB 4.37Å; F121-Q147 HydrophobicContact CE1-CB 4.23Å; F121-Q147 HydrophobicContact CZ-CB 3.89Å; F121-A148 HydrophobicContact CE2-CB 4.25Å; F121-A148 HydrophobicContact CZ-CB 4.35Å
122G91.6Very high89.7Confident37 Ų3754.2 Ų54.238%0.38128%0.277SS..SBendtrans80.6-2.2-175.700000114.5Y117 K118Y117-G122 PolarHBondContact O-N 3.45Å; K118-G122 PolarHBondContact NZ-O 2.92Å; K118-G122 WeakPolarHBondContact O-CA 3.21Å; K118-G122 PolarHBondContact O-N 3.25Å
123W88.7Confident89.2Confident90 Ų9054.2 Ų54.234%0.34129%0.285SS..  trans-131.3135.6-174.5-60.396000110.8Y117 K118 F121 E127 V128 R131Y117-W123 CarbonylContact C-O 3.59Å; Y117-W123 WeakPolarHBondContact CB-O 3.15Å; Y117-W123 VanDerWaalsContact O-O 3.11Å; K118-W123 PolarHBondContact N-O 3.45Å; F121-W123 PolarHBondContact O-N 3.47Å; W123-E127 WeakPolarHBondContact CA-OE2 3.25Å; W123-E127 HydrophobicContact CE3-CB 3.74Å; W123-E127 HydrophobicContact CZ3-CB 4.27Å; W123-V128 HydrophobicContact CB-CG2 4Å; W123-R131 VanDerWaalsContact CZ2-NH1 3.29Å; W123-R131 VanDerWaalsContact CZ3-NE 3.32Å
124S91Very high88.6Confident17 Ų1756.3 Ų56.312%0.11930%0.3CS..  trans-83.8162.4161.358.10000110.9D126 E127 V128S124-D126 VanDerWaalsContact C-N 3.28Å; S124-D126 PolarHBondContact O-N 2.96Å; S124-E127 PolarHBondContact N-OE2 2.7Å; S124-E127 PolarHBondContact O-N 2.84Å; S124-E127 VanDerWaalsContact OG-CD 3.31Å; S124-E127 WeakPolarHBondContact OG-CG 3.44Å; S124-E127 PolarHBondContact OG-N 3.19Å; S124-E127 PolarHBondContact OG-OE2 3.44Å; S124-V128 WeakPolarHBondContact O-CG2 3.32Å; S124-V128 PolarHBondContact O-N 3.17Å
125M88.5Confident87.8Confident6 Ų666 Ų663%0.0333%0.333CS..Hα-helixtrans-61.6-36.5173.8-81-52-5800112.4E88 I90 Y117 E127 V128 V129 S137 C141 F144E88-M125 HydrophobicContact CB-CB 4.31Å; E88-M125 HydrophobicContact CB-CG 3.7Å; E88-M125 HydrophobicContact CG-CG 4.34Å; E88-M125 WeakPolarHBondContact O-CB 3.35Å; E88-M125 PolarHBondContact O-N 3.31Å; I90-M125 HydrophobicContact CD1-CB 4.21Å; I90-M125 HydrophobicContact CD1-CG 4.44Å; I90-M125 HydrophobicContact CG1-CB 3.65Å; I90-M125 HydrophobicContact CG1-CG 4.3Å; Y117-M125 HydrophobicContact CD2-CG 3.61Å; Y117-M125 HydrophobicContact CD2-SD 3.92Å; Y117-M125 HydrophobicContact CE2-CG 3.42Å; Y117-M125 VanDerWaalsContact CE2-CG 3.42Å; Y117-M125 HydrophobicContact CE2-SD 3.58Å; Y117-M125 VanDerWaalsContact CE2-SD 3.58Å; M125-E127 VanDerWaalsContact C-N 3.3Å; M125-E127 PolarHBondContact O-N 2.78Å; M125-V128 HydrophobicContact CE-CG1 4.42Å; M125-V128 PolarHBondContact O-N 3.47Å; M125-V129 HydrophobicContact CE-CG2 4.43Å; M125-V129 WeakPolarHBondContact O-CB 3.34Å; M125-V129 VanDerWaalsContact O-CG2 3.23Å; M125-V129 WeakPolarHBondContact O-CG2 3.12Å; M125-V129 PolarHBondContact O-N 2.98Å; M125-S137 WeakPolarHBondContact CE-O 3.16Å; M125-C141 HydrophobicContact CE-CB 3.72Å; M125-C141 HydrophobicContact SD-CB 3.85Å; M125-F144 HydrophobicContact SD-CD2 4.5Å
126D88.6Confident87.2Confident53 Ų5367.2 Ų67.228%0.28334%0.342SS..Hα-helixtrans-61.5-40.7175.3-75.1-4.4000111G89 I90 R91 S124 S130G89-D126 VanDerWaalsContact O-CG 3.31Å; I90-D126 WeakPolarHBondContact CA-OD1 3.5Å; R91-D126 WeakPolarHBondContact CB-OD2 3Å; R91-D126 WeakPolarHBondContact CG-OD2 3.26Å; R91-D126 PolarHBondContact N-OD2 3.1Å; S124-D126 VanDerWaalsContact C-N 3.28Å; S124-D126 PolarHBondContact O-N 2.96Å; D126-S130 WeakPolarHBondContact O-CB 3.33Å; D126-S130 PolarHBondContact O-N 3.46Å
127E90.6Very high86.6Confident59 Ų5967.3 Ų67.328%0.27634%0.343SS..Hα-helixtrans-68.8-39.4175-67.2165.5132.100112K118 W123 S124 M125 S130 R131K118-E127 IonicContact NZ-OE1 2.72Å; K118-E127 PolarHBondContact NZ-OE1 3.35Å; K118-E127 IonicContact NZ-OE2 2.93Å; K118-E127 PolarHBondContact NZ-OE2 3.39Å; W123-E127 WeakPolarHBondContact CA-OE2 3.25Å; W123-E127 HydrophobicContact CE3-CB 3.74Å; W123-E127 HydrophobicContact CZ3-CB 4.27Å; S124-E127 PolarHBondContact N-OE2 2.7Å; S124-E127 PolarHBondContact O-N 2.84Å; S124-E127 VanDerWaalsContact OG-CD 3.31Å; S124-E127 WeakPolarHBondContact OG-CG 3.44Å; S124-E127 PolarHBondContact OG-N 3.19Å; S124-E127 PolarHBondContact OG-OE2 3.44Å; M125-E127 VanDerWaalsContact C-N 3.3Å; M125-E127 PolarHBondContact O-N 2.78Å; E127-S130 PolarHBondContact O-N 2.97Å; E127-S130 PolarHBondContact O-OG 3.29Å; E127-R131 PolarHBondContact O-N 2.96Å
128V88.4Confident86Confident13 Ų1372.4 Ų72.48%0.07938%0.377CS..Hα-helixtrans-59.3-51.5174.3171.60000110.1W123 S124 M125 S130 R131 I132 Y140 F144W123-V128 HydrophobicContact CB-CG2 4Å; S124-V128 WeakPolarHBondContact O-CG2 3.32Å; S124-V128 PolarHBondContact O-N 3.17Å; M125-V128 HydrophobicContact CE-CG1 4.42Å; M125-V128 PolarHBondContact O-N 3.47Å; V128-S130 VanDerWaalsContact C-N 3.3Å; V128-S130 PolarHBondContact O-N 3.15Å; V128-R131 PolarHBondContact O-N 3.44Å; V128-I132 HydrophobicContact CG1-CD1 3.45Å; V128-I132 VanDerWaalsContact CG1-CD1 3.45Å; V128-I132 HydrophobicContact CG1-CG1 4.16Å; V128-I132 WeakPolarHBondContact O-CG1 3.4Å; V128-I132 PolarHBondContact O-N 3.2Å; V128-Y140 HydrophobicContact CG1-CG 4.48Å; V128-F144 HydrophobicContact CG2-CE2 3.87Å
129V88.9Confident85.5Confident37 Ų3772.6 Ų72.622%0.22439%0.387CS..Hα-helixtrans-58-42178.7167.30000111.3M125 R131 G133 N134M125-V129 HydrophobicContact CE-CG2 4.43Å; M125-V129 WeakPolarHBondContact O-CB 3.34Å; M125-V129 VanDerWaalsContact O-CG2 3.23Å; M125-V129 WeakPolarHBondContact O-CG2 3.12Å; M125-V129 PolarHBondContact O-N 2.98Å; V129-R131 PolarHBondContact O-N 3.04Å; V129-G133 VanDerWaalsContact O-CA 3.25Å; V129-G133 WeakPolarHBondContact O-CA 3.15Å; V129-G133 PolarHBondContact O-N 2.95Å; V129-N134 WeakPolarHBondContact CG1-OD1 3.49Å
130S89Confident85.2Confident95 Ų9571.2 Ų71.266%0.66437%0.372SS*.Hα-helixtrans-60.9-24.5177.3760000113.8D126 E127 V128D126-S130 WeakPolarHBondContact O-CB 3.33Å; D126-S130 PolarHBondContact O-N 3.46Å; E127-S130 PolarHBondContact O-N 2.97Å; E127-S130 PolarHBondContact O-OG 3.29Å; V128-S130 VanDerWaalsContact C-N 3.3Å; V128-S130 PolarHBondContact O-N 3.15Å
131R87.2Confident84.9Confident175 Ų17570.5 Ų70.566%0.6637%0.369SS*.Hα-helixtrans-95-41.5-178.2-73.7-177.2167.9-148.5-7.9113.8W123 E127 V128 V129W123-R131 VanDerWaalsContact CZ2-NH1 3.29Å; W123-R131 VanDerWaalsContact CZ3-NE 3.32Å; E127-R131 PolarHBondContact O-N 2.96Å; V128-R131 PolarHBondContact O-N 3.44Å; V129-R131 PolarHBondContact O-N 3.04Å
132I84.8Confident84.5Confident65 Ų6570.2 Ų70.233%0.33338%0.378SS..Hα-helixtrans-104.1-11.2-172.774.1-176.5000113.3V128 S136 Y140V128-I132 HydrophobicContact CG1-CD1 3.45Å; V128-I132 VanDerWaalsContact CG1-CD1 3.45Å; V128-I132 HydrophobicContact CG1-CG1 4.16Å; V128-I132 WeakPolarHBondContact O-CG1 3.4Å; V128-I132 PolarHBondContact O-N 3.2Å; I132-S136 WeakPolarHBondContact CD1-OG 3.37Å; I132-Y140 HydrophobicContact CD1-CD2 3.18Å; I132-Y140 HydrophobicContact CD1-CE2 3.41Å; I132-Y140 VanDerWaalsContact CD1-CE2 3.41Å; I132-Y140 HydrophobicContact CD1-CG 3.91Å
133G81.1Confident84.2Confident33 Ų3371.8 Ų71.834%0.3438%0.38SS..  trans75.7175.9-171.200000113.7V129 R135V129-G133 VanDerWaalsContact O-CA 3.25Å; V129-G133 WeakPolarHBondContact O-CA 3.15Å; V129-G133 PolarHBondContact O-N 2.95Å; G133-R135 PolarHBondContact O-N 2.87Å
134N78.3Confident84.1Confident122 Ų12269.3 Ų69.365%0.65237%0.372SS*.G310 helixtrans-73.5-20.8-173.1-77.6-9.1000115V129 S136 S137V129-N134 WeakPolarHBondContact CG1-OD1 3.49Å; N134-S136 PolarHBondContact O-N 3.5Å; N134-S136 VanDerWaalsContact O-N 3.17Å; N134-S137 PolarHBondContact O-N 3.41Å; N134-S137 PolarHBondContact O-OG 3.33Å; N134-S137 VanDerWaalsContact O-OG 3.13Å
135R74Confident83.8Confident258 Ų25873.3 Ų73.397%0.97438%0.384SS*.G310 helixtrans-65.2-25-167.6-72-172.6179.9-179.21.2114G133G133-R135 PolarHBondContact O-N 2.87Å
136S76.3Confident83.6Confident35 Ų3579.6 Ų79.625%0.24541%0.408CS..G310 helixtrans-118.70.3-17752.20000113.7I132 N134 C138 T139 Y140I132-S136 WeakPolarHBondContact CD1-OG 3.37Å; N134-S136 PolarHBondContact O-N 3.5Å; N134-S136 VanDerWaalsContact O-N 3.17Å; S136-C138 VanDerWaalsContact C-N 3.33Å; S136-C138 PolarHBondContact O-N 3.01Å; S136-T139 WeakPolarHBondContact O-CB 3.09Å; S136-T139 PolarHBondContact O-N 3.46Å; S136-Y140 VanDerWaalsContact O-CD2 3.26Å; S136-Y140 WeakPolarHBondContact O-CD2 3.43Å; S136-Y140 PolarHBondContact O-N 2.85Å
137S78.5Confident83.5Confident19 Ų1980.6 Ų80.613%0.13341%0.41CS..Hα-helixtrans-58.2-39.8-171.862.90000113.5M125 N134 T139 Y140 C141M125-S137 WeakPolarHBondContact CE-O 3.16Å; N134-S137 PolarHBondContact O-N 3.41Å; N134-S137 PolarHBondContact O-OG 3.33Å; N134-S137 VanDerWaalsContact O-OG 3.13Å; S137-T139 VanDerWaalsContact C-N 3.33Å; S137-T139 PolarHBondContact O-N 2.97Å; S137-Y140 PolarHBondContact O-N 3.34Å; S137-C141 VanDerWaalsContact O-CB 3.29Å; S137-C141 WeakPolarHBondContact O-CB 3.49Å; S137-C141 PolarHBondContact O-N 3.49Å
138C78.5Confident83.3Confident108 Ų10877.8 Ų77.873%0.7340%0.397SS*.Hα-helixtrans-63.7-35.9176.5-66.70000113S136 C141 G142S136-C138 VanDerWaalsContact C-N 3.33Å; S136-C138 PolarHBondContact O-N 3.01Å; C138-C141 PolarHBondContact O-N 3.04Å; C138-G142 PolarHBondContact O-N 3.47Å
139T82.3Confident83.1Confident100 Ų10078 Ų7861%0.61340%0.398SS*.Hα-helixtrans-66.1-48.2178-53.60000110.4S136 S137 G142 V143S136-T139 WeakPolarHBondContact O-CB 3.09Å; S136-T139 PolarHBondContact O-N 3.46Å; S137-T139 VanDerWaalsContact C-N 3.33Å; S137-T139 PolarHBondContact O-N 2.97Å; T139-G142 PolarHBondContact O-N 3.33Å; T139-V143 WeakPolarHBondContact O-CG2 2.9Å; T139-V143 PolarHBondContact O-N 3.23Å; T139-V143 VanDerWaalsContact O-N 3.16Å
140Y83.3Confident82.8Confident104 Ų10480.7 Ų80.741%0.40841%0.408SS..Hα-helixtrans-64.2-42.7176.3-73.2-85.2000111.7V128 I132 S136 S137 G142 V143 F144V128-Y140 HydrophobicContact CG1-CG 4.48Å; I132-Y140 HydrophobicContact CD1-CD2 3.18Å; I132-Y140 HydrophobicContact CD1-CE2 3.41Å; I132-Y140 VanDerWaalsContact CD1-CE2 3.41Å; I132-Y140 HydrophobicContact CD1-CG 3.91Å; S136-Y140 VanDerWaalsContact O-CD2 3.26Å; S136-Y140 WeakPolarHBondContact O-CD2 3.43Å; S136-Y140 PolarHBondContact O-N 2.85Å; S137-Y140 PolarHBondContact O-N 3.34Å; Y140-G142 VanDerWaalsContact C-N 3.3Å; Y140-G142 PolarHBondContact O-N 2.81Å; Y140-V143 PolarHBondContact O-N 3.18Å; Y140-F144 WeakPolarHBondContact O-CB 3.28Å; Y140-F144 WeakPolarHBondContact O-CG 3.17Å; Y140-F144 PolarHBondContact O-N 3.06Å
141C83.3Confident82.5Confident13 Ų1380.5 Ų80.59%0.08839%0.393CS..Hα-helixtrans-58.1-43176.1-172.40000111.6Y117 M125 S137 C138 R145Y117-C141 PolarHBondContact OH-O 2.72Å; M125-C141 HydrophobicContact CE-CB 3.72Å; M125-C141 HydrophobicContact SD-CB 3.85Å; S137-C141 VanDerWaalsContact O-CB 3.29Å; S137-C141 WeakPolarHBondContact O-CB 3.49Å; S137-C141 PolarHBondContact O-N 3.49Å; C138-C141 PolarHBondContact O-N 3.04Å; C141-R145 WeakPolarHBondContact O-CB 3.43Å; C141-R145 PolarHBondContact O-N 3.37Å
142G82.1Confident82.3Confident35 Ų3572.1 Ų72.136%0.36136%0.361SS..Hα-helixtrans-63.2-42.5178.100000113C138 T139 Y140 R146C138-G142 PolarHBondContact O-N 3.47Å; T139-G142 PolarHBondContact O-N 3.33Å; Y140-G142 VanDerWaalsContact C-N 3.3Å; Y140-G142 PolarHBondContact O-N 2.81Å; G142-R146 PolarHBondContact O-N 3.29Å; G142-R146 VanDerWaalsContact O-N 3.16Å
143V84.5Confident82Confident71 Ų7169.3 Ų69.343%0.4335%0.347SS..Hα-helixtrans-65.5-48.9177.1175.50000110.9T139 Y140 R145 R146 Q147T139-V143 WeakPolarHBondContact O-CG2 2.9Å; T139-V143 PolarHBondContact O-N 3.23Å; T139-V143 VanDerWaalsContact O-N 3.16Å; Y140-V143 PolarHBondContact O-N 3.18Å; V143-R145 PolarHBondContact O-N 3.35Å; V143-R146 PolarHBondContact O-N 3.47Å; V143-Q147 PolarHBondContact O-N 3.41Å; V143-Q147 VanDerWaalsContact O-N 3.16Å
144F86.2Confident82Confident37 Ų3774.6 Ų74.616%0.16236%0.363CS..Hα-helixtrans-64.1-40.6179.6-72.41000111.6Y117 F121 M125 V128 Y140 R146 Q147 A148Y117-F144 HydrophobicContact CD1-CB 4.26Å; Y117-F144 HydrophobicContact CD2-CB 4.31Å; Y117-F144 HydrophobicContact CD2-CD2 4.1Å; Y117-F144 HydrophobicContact CE1-CB 3.71Å; Y117-F144 HydrophobicContact CE2-CB 3.83Å; Y117-F144 HydrophobicContact CE2-CD2 4.22Å; F121-F144 HydrophobicContact CD2-CB 4.26Å; F121-F144 HydrophobicContact CD2-CD2 4.14Å; F121-F144 HydrophobicContact CD2-CG 4.1Å; F121-F144 HydrophobicContact CE2-CB 3.79Å; F121-F144 HydrophobicContact CE2-CG 4.06Å; F121-F144 HydrophobicContact CZ-CB 4.37Å; M125-F144 HydrophobicContact SD-CD2 4.5Å; V128-F144 HydrophobicContact CG2-CE2 3.87Å; Y140-F144 WeakPolarHBondContact O-CB 3.28Å; Y140-F144 WeakPolarHBondContact O-CG 3.17Å; Y140-F144 PolarHBondContact O-N 3.06Å; F144-R146 VanDerWaalsContact C-N 3.35Å; F144-R146 PolarHBondContact O-N 3.17Å; F144-Q147 PolarHBondContact O-N 3.44Å; F144-A148 WeakPolarHBondContact O-CB 3.49Å; F144-A148 PolarHBondContact O-N 2.84Å
145R86.2Confident82Confident101 Ų10174.7 Ų74.738%0.38136%0.358SS..Hα-helixtrans-61.6-44178.5-166.8176.7-72.8153.8-3.4111.2I86 E88 Y117 C141 V143 A148 L149I86-R145 HydrophobicContact CG1-CG 4.49Å; E88-R145 IonicContact OE1-CZ 3.25Å; E88-R145 VanDerWaalsContact OE1-CZ 3.25Å; E88-R145 IonicContact OE1-NE 3.01Å; E88-R145 PolarHBondContact OE1-NE 2.87Å; E88-R145 IonicContact OE1-NH2 2.67Å; E88-R145 PolarHBondContact OE1-NH2 3.48Å; Y117-R145 VanDerWaalsContact OH-CA 3.27Å; Y117-R145 WeakPolarHBondContact OH-CA 3.29Å; Y117-R145 VanDerWaalsContact OH-CB 3.28Å; Y117-R145 WeakPolarHBondContact OH-CB 3.16Å; Y117-R145 PolarHBondContact OH-N 3.11Å; C141-R145 WeakPolarHBondContact O-CB 3.43Å; C141-R145 PolarHBondContact O-N 3.37Å; V143-R145 PolarHBondContact O-N 3.35Å; R145-A148 PolarHBondContact O-N 3.36Å; R145-L149 HydrophobicContact CG-CD1 4.03Å; R145-L149 WeakPolarHBondContact O-CB 3.44Å; R145-L149 WeakPolarHBondContact O-CD1 3.42Å; R145-L149 VanDerWaalsContact O-CG 3.26Å; R145-L149 WeakPolarHBondContact O-CG 3.44Å; R145-L149 PolarHBondContact O-N 2.69Å
146R84Confident81.9Confident139 Ų13965.6 Ų65.653%0.52533%0.326SS..Hα-helixtrans-61.8-50178.6-173.1176.8-62.2160.31.8111.5G142 V143 F144 A148 L149 E150G142-R146 PolarHBondContact O-N 3.29Å; G142-R146 VanDerWaalsContact O-N 3.16Å; V143-R146 PolarHBondContact O-N 3.47Å; F144-R146 VanDerWaalsContact C-N 3.35Å; F144-R146 PolarHBondContact O-N 3.17Å; R146-A148 VanDerWaalsContact C-N 3.31Å; R146-A148 PolarHBondContact O-N 2.8Å; R146-L149 PolarHBondContact O-N 2.68Å; R146-E150 WeakPolarHBondContact O-CG 2.92Å; R146-E150 PolarHBondContact O-N 3.4Å
147Q85.3Confident81.4Confident73 Ų7366.8 Ų66.834%0.34134%0.343SS..Hα-helixtrans-63.1-38.2177.6-68.8-17731.800112.3F121 V143 F144 E150 R151F121-Q147 HydrophobicContact CE1-CB 4.23Å; F121-Q147 HydrophobicContact CZ-CB 3.89Å; V143-Q147 PolarHBondContact O-N 3.41Å; V143-Q147 VanDerWaalsContact O-N 3.16Å; F144-Q147 PolarHBondContact O-N 3.44Å; Q147-E150 PolarHBondContact O-N 2.95Å; Q147-R151 WeakPolarHBondContact O-CB 3.23Å; Q147-R151 WeakPolarHBondContact O-CG 3.25Å; Q147-R151 PolarHBondContact O-N 3.47Å
148A86.7Confident80.6Confident0 Ų066.5 Ų66.50%034%0.342CS..Hα-helixtrans-65.1-40.9178.400000111.8I86 L115 Y117 L120 F121 F144 R145 R146 R151 G152I86-A148 HydrophobicContact CD1-CB 3.62Å; I86-A148 HydrophobicContact CG1-CB 4.01Å; I86-A148 HydrophobicContact CG2-CB 3.81Å; L115-A148 WeakPolarHBondContact CD1-O 3.37Å; Y117-A148 HydrophobicContact CD1-CB 4.42Å; Y117-A148 HydrophobicContact CE1-CB 4.07Å; L120-A148 HydrophobicContact CD1-CB 3.35Å; F121-A148 HydrophobicContact CE2-CB 4.25Å; F121-A148 HydrophobicContact CZ-CB 4.35Å; F144-A148 WeakPolarHBondContact O-CB 3.49Å; F144-A148 PolarHBondContact O-N 2.84Å; R145-A148 PolarHBondContact O-N 3.36Å; R146-A148 VanDerWaalsContact C-N 3.31Å; R146-A148 PolarHBondContact O-N 2.8Å; A148-R151 PolarHBondContact O-N 2.71Å; A148-G152 PolarHBondContact O-N 3Å
149L85.2Confident79.5Confident19 Ų1964.9 Ų64.910%0.09934%0.344CS..Hα-helixtrans-66.7-44.3175.3-71.7164.1000112V84 I86 R145 R146 R151 G152 C153 F161V84-L149 HydrophobicContact CB-CD2 4.31Å; V84-L149 HydrophobicContact CG1-CD2 3.93Å; I86-L149 HydrophobicContact CD1-CD2 4.04Å; I86-L149 HydrophobicContact CD1-CG 4.25Å; I86-L149 HydrophobicContact CG1-CD2 3.76Å; I86-L149 HydrophobicContact CG1-CG 3.86Å; R145-L149 HydrophobicContact CG-CD1 4.03Å; R145-L149 WeakPolarHBondContact O-CB 3.44Å; R145-L149 WeakPolarHBondContact O-CD1 3.42Å; R145-L149 VanDerWaalsContact O-CG 3.26Å; R145-L149 WeakPolarHBondContact O-CG 3.44Å; R145-L149 PolarHBondContact O-N 2.69Å; R146-L149 PolarHBondContact O-N 2.68Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 2.67Å; L149-G152 WeakPolarHBondContact O-CA 3.4Å; L149-G152 PolarHBondContact O-N 2.96Å; L149-C153 PolarHBondContact O-N 3.01Å; L149-C153 PolarHBondContact O-SG 2.64Å; L149-C153 VanDerWaalsContact O-SG 3.33Å; L149-F161 HydrophobicContact CB-CD1 4.28Å; L149-F161 HydrophobicContact CB-CE1 3.43Å; L149-F161 VanDerWaalsContact CB-CE1 3.43Å; L149-F161 HydrophobicContact CB-CE2 4.25Å; L149-F161 HydrophobicContact CB-CZ 3.51Å; L149-F161 HydrophobicContact CD1-CE1 3.87Å; L149-F161 HydrophobicContact CD1-CZ 3.72Å; L149-F161 HydrophobicContact CD2-CE2 4.28Å; L149-F161 HydrophobicContact CD2-CZ 3.76Å; L149-F161 HydrophobicContact CG-CE1 4.11Å; L149-F161 HydrophobicContact CG-CZ 3.84Å
150E82Confident78.4Confident92 Ų9262.3 Ų62.343%0.4333%0.328SS..Hα-helixtrans-57.3-45174.9-74.2168-172.900111.7R146 Q147 G152 C153 Q154R146-E150 WeakPolarHBondContact O-CG 2.92Å; R146-E150 PolarHBondContact O-N 3.4Å; Q147-E150 PolarHBondContact O-N 2.95Å; E150-G152 VanDerWaalsContact C-N 3.33Å; E150-G152 PolarHBondContact O-N 3.3Å; E150-C153 WeakPolarHBondContact O-CB 3.27Å; E150-C153 PolarHBondContact O-N 3.36Å; E150-Q154 PolarHBondContact O-N 3.41Å
151R83.7Confident77.2Confident91 Ų9158.7 Ų58.734%0.34332%0.315SS..Hα-helixtrans-64.7-37.4173.5-70.9-179.7-177-177.54112L120 Q147 A148 L149 C153 Q154 F155L120-R151 HydrophobicContact CD2-CB 4.39Å; L120-R151 PolarHBondContact O-NH1 2.84Å; Q147-R151 WeakPolarHBondContact O-CB 3.23Å; Q147-R151 WeakPolarHBondContact O-CG 3.25Å; Q147-R151 PolarHBondContact O-N 3.47Å; A148-R151 PolarHBondContact O-N 2.71Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 2.67Å; R151-C153 VanDerWaalsContact C-N 3.28Å; R151-C153 PolarHBondContact O-N 3.28Å; R151-Q154 WeakPolarHBondContact O-CB 3.15Å; R151-Q154 PolarHBondContact O-N 3.36Å; R151-Q154 VanDerWaalsContact O-N 3.11Å; R151-F155 WeakPolarHBondContact O-CD2 3.48Å; R151-F155 PolarHBondContact O-N 3Å
152G82.1Confident76Confident0 Ų058.2 Ų58.20%031%0.311CS..Hα-helixtrans-55.5-40.4173.200000113.4L115 A148 L149 E150 F155L115-G152 VanDerWaalsContact CD1-CA 3.41Å; A148-G152 PolarHBondContact O-N 3Å; L149-G152 WeakPolarHBondContact O-CA 3.4Å; L149-G152 PolarHBondContact O-N 2.96Å; E150-G152 VanDerWaalsContact C-N 3.33Å; E150-G152 PolarHBondContact O-N 3.3Å; G152-F155 PolarHBondContact O-N 3.49Å
153C79.3Confident74.5Confident6 Ų658.1 Ų58.14%0.04130%0.303CS..Hα-helixtrans-63.5-43174.4-61.60000112.1A52 L149 E150 R151 F155 F156 G157 A158 F161A52-C153 VanDerWaalsContact CB-SG 3.59Å; L149-C153 PolarHBondContact O-N 3.01Å; L149-C153 PolarHBondContact O-SG 2.64Å; L149-C153 VanDerWaalsContact O-SG 3.33Å; E150-C153 WeakPolarHBondContact O-CB 3.27Å; E150-C153 PolarHBondContact O-N 3.36Å; R151-C153 VanDerWaalsContact C-N 3.28Å; R151-C153 PolarHBondContact O-N 3.28Å; C153-F155 VanDerWaalsContact C-N 3.3Å; C153-F155 PolarHBondContact O-N 2.82Å; C153-F156 PolarHBondContact O-N 2.97Å; C153-F156 VanDerWaalsContact O-N 3.15Å; C153-G157 PolarHBondContact O-N 3.27Å; C153-A158 HydrophobicContact CB-CB 4.03Å; C153-A158 WeakPolarHBondContact O-CB 3.26Å; C153-A158 PolarHBondContact O-N 2.94Å; C153-F161 WeakPolarHBondContact SG-CB 3.42Å; C153-F161 WeakPolarHBondContact SG-CD2 3.47Å; C153-F161 WeakPolarHBondContact SG-CG 3.34Å
154Q80.1Confident72.7Confident143 Ų14361.4 Ų61.467%0.66831%0.313SS*.Hα-helixtrans-61.4-37.1-179.9-65.5173.9-7.600112.2E150 R151 F156 G157E150-Q154 PolarHBondContact O-N 3.41Å; R151-Q154 WeakPolarHBondContact O-CB 3.15Å; R151-Q154 PolarHBondContact O-N 3.36Å; R151-Q154 VanDerWaalsContact O-N 3.11Å; Q154-F156 PolarHBondContact O-N 3.44Å; Q154-F156 VanDerWaalsContact O-N 3.16Å; Q154-G157 PolarHBondContact O-N 3.47Å
155F77.6Confident71Confident124 Ų12459.9 Ų59.954%0.54431%0.307SS..Hα-helixtrans-60.1-25.4177.8-81.6-71.6000114.1L115 R151 G152 C153L115-F155 HydrophobicContact CD1-CD2 4.13Å; L115-F155 HydrophobicContact CD1-CE2 4.22Å; L115-F155 HydrophobicContact CD2-CD2 3.91Å; L115-F155 HydrophobicContact CD2-CE2 3.72Å; L115-F155 HydrophobicContact CD2-CZ 4.46Å; R151-F155 WeakPolarHBondContact O-CD2 3.48Å; R151-F155 PolarHBondContact O-N 3Å; G152-F155 PolarHBondContact O-N 3.49Å; C153-F155 VanDerWaalsContact C-N 3.3Å; C153-F155 PolarHBondContact O-N 2.82Å
156F72.2Confident69.6Low67 Ų6756.5 Ų56.529%0.29430%0.296SS..THydrogen-bonded Turntrans-100.71.3178-72-69.2000113.7L82 V84 P111 K113 C153 Q154 A158L82-F156 HydrophobicContact CB-CD2 4.44Å; L82-F156 HydrophobicContact CB-CE2 4.39Å; L82-F156 HydrophobicContact CD1-CB 3.43Å; L82-F156 VanDerWaalsContact CD1-CB 3.43Å; L82-F156 HydrophobicContact CD1-CD1 3.92Å; L82-F156 HydrophobicContact CD1-CD2 3.95Å; L82-F156 HydrophobicContact CD1-CG 3.55Å; L82-F156 HydrophobicContact CD2-CD1 4.12Å; L82-F156 HydrophobicContact CD2-CE1 4.17Å; L82-F156 HydrophobicContact CG-CG 4.5Å; V84-F156 HydrophobicContact CG2-CD2 4.39Å; V84-F156 HydrophobicContact CG2-CE2 4.14Å; P111-F156 HydrophobicContact CB-CE1 4.25Å; P111-F156 HydrophobicContact CB-CZ 4.47Å; K113-F156 HydrophobicContact CB-CD2 4.37Å; K113-F156 HydrophobicContact CB-CE2 3.29Å; K113-F156 HydrophobicContact CB-CZ 3.47Å; K113-F156 VanDerWaalsContact CB-CZ 3.47Å; K113-F156 HydrophobicContact CG-CE2 4.28Å; C153-F156 PolarHBondContact O-N 2.97Å; C153-F156 VanDerWaalsContact O-N 3.15Å; Q154-F156 PolarHBondContact O-N 3.44Å; Q154-F156 VanDerWaalsContact O-N 3.16Å; F156-A158 PolarHBondContact O-N 3.42Å
157G67.2Low68Low60 Ų6055.3 Ų55.362%0.61930%0.295SS*.THydrogen-bonded Turntrans62.826.3-16800000112.5C153 Q154 G159C153-G157 PolarHBondContact O-N 3.27Å; Q154-G157 PolarHBondContact O-N 3.47Å; G157-G159 PolarHBondContact O-N 2.75Å
158A60.2Low66.2Low13 Ų1354.3 Ų54.311%0.10730%0.296CS..  trans-72.6118178.400000109.9V50 A52 C153 F156 T160V50-A158 HydrophobicContact CB-CB 4.2Å; V50-A158 HydrophobicContact CG1-CB 3.67Å; A52-A158 HydrophobicContact CB-CB 4.29Å; C153-A158 HydrophobicContact CB-CB 4.03Å; C153-A158 WeakPolarHBondContact O-CB 3.26Å; C153-A158 PolarHBondContact O-N 2.94Å; F156-A158 PolarHBondContact O-N 3.42Å; A158-T160 VanDerWaalsContact C-N 3.28Å
159G56.5Low64.8Low75 Ų7554.7 Ų54.777%0.77330%0.298SS*.SBendtrans-72.4-22.617800000113.4G157G157-G159 PolarHBondContact O-N 2.75Å
160T58.7Low63.4Low45 Ų4556 Ų5628%0.27630%0.304SS..EExtended strand (participates in β ladder)trans-132.2120.4-173.8-55.50000110.3A158A158-T160 VanDerWaalsContact C-N 3.28Å
161F59.1Low62.1Low28 Ų2856.2 Ų56.212%0.12331%0.308CS..EExtended strand (participates in β ladder)trans-87.2124.9162.8-168.6-141.6000109.6A52 L149 C153 N163A52-F161 HydrophobicContact CB-CD2 4.29Å; A52-F161 VanDerWaalsContact O-CD2 3.25Å; A52-F161 WeakPolarHBondContact O-CD2 3.37Å; A52-F161 WeakPolarHBondContact O-CE2 3.3Å; L149-F161 HydrophobicContact CB-CD1 4.28Å; L149-F161 HydrophobicContact CB-CE1 3.43Å; L149-F161 VanDerWaalsContact CB-CE1 3.43Å; L149-F161 HydrophobicContact CB-CE2 4.25Å; L149-F161 HydrophobicContact CB-CZ 3.51Å; L149-F161 HydrophobicContact CD1-CE1 3.87Å; L149-F161 HydrophobicContact CD1-CZ 3.72Å; L149-F161 HydrophobicContact CD2-CE2 4.28Å; L149-F161 HydrophobicContact CD2-CZ 3.76Å; L149-F161 HydrophobicContact CG-CE1 4.11Å; L149-F161 HydrophobicContact CG-CZ 3.84Å; C153-F161 WeakPolarHBondContact SG-CB 3.42Å; C153-F161 WeakPolarHBondContact SG-CD2 3.47Å; C153-F161 WeakPolarHBondContact SG-CG 3.34Å; F161-N163 HydrophobicContact CD1-CB 3.56Å; F161-N163 WeakPolarHBondContact CD1-ND2 3.4Å; F161-N163 HydrophobicContact CE1-CB 3.78Å; F161-N163 WeakPolarHBondContact CE1-ND2 3.4Å; F161-N163 WeakPolarHBondContact CE1-OD1 3.23Å; F161-N163 HydrophobicContact CG-CB 4.36Å; F161-N163 WeakPolarHBondContact CZ-OD1 3.34Å; F161-N163 PolarHBondContact O-N 3.42Å
162S58.1Low60.6Low3 Ų353 Ų532%0.02130%0.296CS..THydrogen-bonded Turntrans-76.431.1-178.5-148.10000113.8H164 L165 I166S162-H164 PolarHBondContact O-N 3.46Å; S162-L165 PolarHBondContact O-N 2.93Å; S162-L165 WeakPolarHBondContact OG-CB 3.49Å; S162-I166 WeakPolarHBondContact O-CG1 3.42Å; S162-I166 PolarHBondContact O-N 3.34Å
163N49.2Very low59.4Low33 Ų3353.1 Ų53.118%0.17630%0.296CS..Hα-helixtrans-58.2-38.8174.7-111.9-3.5000111.5F161 L165 I166 F167F161-N163 HydrophobicContact CD1-CB 3.56Å; F161-N163 WeakPolarHBondContact CD1-ND2 3.4Å; F161-N163 HydrophobicContact CE1-CB 3.78Å; F161-N163 WeakPolarHBondContact CE1-ND2 3.4Å; F161-N163 WeakPolarHBondContact CE1-OD1 3.23Å; F161-N163 HydrophobicContact CG-CB 4.36Å; F161-N163 WeakPolarHBondContact CZ-OD1 3.34Å; F161-N163 PolarHBondContact O-N 3.42Å; N163-L165 VanDerWaalsContact C-N 3.31Å; N163-L165 PolarHBondContact O-N 2.82Å; N163-I166 WeakPolarHBondContact O-CB 3.48Å; N163-I166 PolarHBondContact O-N 3.38Å; N163-F167 VanDerWaalsContact O-CD2 3.28Å; N163-F167 WeakPolarHBondContact O-CD2 3.18Å; N163-F167 PolarHBondContact O-N 3.03Å
164H47Very low58.5Low140 Ų14059.8 Ų59.865%0.64833%0.326SS*.Hα-helixtrans-64.2-38178.8-70.5-74.5000111.8F44 S162 F167 S168F44-H164 HydrophobicContact CD1-CB 4.45Å; F44-H164 HydrophobicContact CE1-CB 3.61Å; F44-H164 HydrophobicContact CZ-CB 4.47Å; S162-H164 PolarHBondContact O-N 3.46Å; H164-F167 PolarHBondContact O-N 3.02Å; H164-S168 PolarHBondContact O-N 2.94Å; H164-S168 PolarHBondContact O-OG 3.48Å
165L50Low57.3Low6 Ų658.4 Ų58.43%0.03132%0.32CS..Hα-helixtrans-69-37.9175.6-15883000111.2I39 F44 F45 L68 S162 N163 F167 S168 L169I39-L165 HydrophobicContact CD1-CD1 4.21Å; I39-L165 HydrophobicContact CD1-CD2 4.39Å; I39-L165 HydrophobicContact CG1-CD1 3.56Å; F44-L165 HydrophobicContact CD1-CB 4.35Å; F44-L165 HydrophobicContact CD1-CD1 3.92Å; F44-L165 HydrophobicContact CD2-CD1 3.92Å; F44-L165 HydrophobicContact CE1-CB 4.17Å; F44-L165 HydrophobicContact CE1-CD1 3.97Å; F44-L165 HydrophobicContact CE2-CD1 3.96Å; F44-L165 HydrophobicContact CG-CD1 3.88Å; F44-L165 HydrophobicContact CZ-CD1 3.99Å; F45-L165 HydrophobicContact CZ-CD2 4.29Å; L68-L165 HydrophobicContact CD1-CD2 3.84Å; L68-L165 HydrophobicContact CD2-CD2 3.48Å; L68-L165 VanDerWaalsContact CD2-CD2 3.48Å; L68-L165 HydrophobicContact CG-CD2 3.75Å; S162-L165 PolarHBondContact O-N 2.93Å; S162-L165 WeakPolarHBondContact OG-CB 3.49Å; N163-L165 VanDerWaalsContact C-N 3.31Å; N163-L165 PolarHBondContact O-N 2.82Å; L165-F167 VanDerWaalsContact C-N 3.34Å; L165-F167 PolarHBondContact O-N 3.32Å; L165-S168 PolarHBondContact O-N 3.36Å; L165-L169 WeakPolarHBondContact O-CB 3.09Å; L165-L169 PolarHBondContact O-N 2.86Å
166I57.6Low56.1Low30 Ų3052.7 Ų52.715%0.15430%0.295CS..Hα-helixtrans-60-44.2173.7-65.1167.3000110.3V64 S162 N163 L170V64-I166 HydrophobicContact CG1-CG1 4.16Å; V64-I166 HydrophobicContact CG2-CG1 4.14Å; S162-I166 WeakPolarHBondContact O-CG1 3.42Å; S162-I166 PolarHBondContact O-N 3.34Å; N163-I166 WeakPolarHBondContact O-CB 3.48Å; N163-I166 PolarHBondContact O-N 3.38Å; I166-L170 HydrophobicContact CG2-CD1 3.61Å; I166-L170 HydrophobicContact CG2-CG 4.08Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 3.39Å
167F49.2Very low55.4Low113 Ų11355.8 Ų55.850%0.49632%0.315SS..Hα-helixtrans-65-49178.3-86.4-74.5000112.6N163 H164 L165 L169 L170 I171N163-F167 VanDerWaalsContact O-CD2 3.28Å; N163-F167 WeakPolarHBondContact O-CD2 3.18Å; N163-F167 PolarHBondContact O-N 3.03Å; H164-F167 PolarHBondContact O-N 3.02Å; L165-F167 VanDerWaalsContact C-N 3.34Å; L165-F167 PolarHBondContact O-N 3.32Å; F167-L169 VanDerWaalsContact C-N 3.34Å; F167-L169 PolarHBondContact O-N 2.8Å; F167-L170 PolarHBondContact O-N 3.16Å; F167-I171 VanDerWaalsContact O-CG1 3.29Å; F167-I171 WeakPolarHBondContact O-CG1 3.12Å; F167-I171 PolarHBondContact O-N 3.36Å
168S48.5Very low54.8Low52 Ų5252.9 Ų52.936%0.36429%0.285SS..Hα-helixtrans-64.2-39.8178.3-63.50000111.9H164 L165 I171 Y172H164-S168 PolarHBondContact O-N 2.94Å; H164-S168 PolarHBondContact O-OG 3.48Å; L165-S168 PolarHBondContact O-N 3.36Å; S168-I171 PolarHBondContact O-N 3.16Å; S168-Y172 WeakPolarHBondContact O-CB 3.27Å; S168-Y172 PolarHBondContact O-N 2.87Å
169L57.4Low54.6Low8 Ų853 Ų534%0.04229%0.285CS..Hα-helixtrans-70.7-38177-16579.4000111.8F31 V35 V63 V64 L67 L165 F167 Y172 L173F31-L169 HydrophobicContact CZ-CD1 4.02Å; V35-L169 HydrophobicContact CB-CD1 4.35Å; V35-L169 HydrophobicContact CG1-CD1 4.03Å; V35-L169 HydrophobicContact CG2-CD1 3.32Å; V63-L169 HydrophobicContact CG1-CD2 4.41Å; V64-L169 HydrophobicContact CB-CD2 4.23Å; V64-L169 HydrophobicContact CG2-CD2 3.38Å; L67-L169 HydrophobicContact CD1-CD1 3.81Å; L67-L169 HydrophobicContact CD1-CD2 3.71Å; L67-L169 HydrophobicContact CD1-CG 4.39Å; L165-L169 WeakPolarHBondContact O-CB 3.09Å; L165-L169 PolarHBondContact O-N 2.86Å; F167-L169 VanDerWaalsContact C-N 3.34Å; F167-L169 PolarHBondContact O-N 2.8Å; L169-Y172 CarbonylContact O-C 3.46Å; L169-Y172 PolarHBondContact O-N 2.74Å; L169-L173 HydrophobicContact CD2-CD1 3.85Å; L169-L173 HydrophobicContact CG-CD1 3.81Å; L169-L173 HydrophobicContact CG-CG 4.1Å; L169-L173 WeakPolarHBondContact O-CB 3.44Å; L169-L173 WeakPolarHBondContact O-CG 3.28Å; L169-L173 PolarHBondContact O-N 3.3Å
170L56.2Low54.6Low46 Ų4653.6 Ų53.624%0.24127%0.274CS..Hα-helixtrans-63.3-43.3174.3-80.2171.4000111D60 I166 F167 Y172 L173 H174D60-L170 HydrophobicContact CB-CD2 3.86Å; I166-L170 HydrophobicContact CG2-CD1 3.61Å; I166-L170 HydrophobicContact CG2-CG 4.08Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 3.39Å; F167-L170 PolarHBondContact O-N 3.16Å; L170-Y172 VanDerWaalsContact C-N 3.28Å; L170-Y172 PolarHBondContact O-N 2.93Å; L170-L173 PolarHBondContact O-N 2.89Å; L170-H174 VanDerWaalsContact O-CB 3.25Å; L170-H174 WeakPolarHBondContact O-CB 3.18Å; L170-H174 PolarHBondContact O-CD2 3.44Å; L170-H174 PolarHBondContact O-N 2.83Å
171I53.6Low54.4Low98 Ų9852.5 Ų52.550%0.50327%0.269SS..Hα-helixtrans-58.1-46.1172.9-68.5167.3000109.4F167 S168 Q175F167-I171 VanDerWaalsContact O-CG1 3.29Å; F167-I171 WeakPolarHBondContact O-CG1 3.12Å; F167-I171 PolarHBondContact O-N 3.36Å; S168-I171 PolarHBondContact O-N 3.16Å; I171-Q175 WeakPolarHBondContact O-CB 3.46Å; I171-Q175 VanDerWaalsContact O-CG 3.25Å; I171-Q175 WeakPolarHBondContact O-CG 3.36Å; I171-Q175 PolarHBondContact O-N 3.24Å
172Y52.8Low54.4Low24 Ų2451.4 Ų51.49%0.09427%0.265CS..Hα-helixtrans-67-41.6179.8-167-122.4000113.5R17 F31 D34 V35 S168 L169 L170 Q175 T176R17-Y172 VanDerWaalsContact NH2-CZ 3.29Å; R17-Y172 PolarHBondContact NH2-OH 2.72Å; F31-Y172 AromaticContact CD2-CD1 3.77Å; F31-Y172 HydrophobicContact CD2-CD1 3.77Å; F31-Y172 AromaticContact CD2-CE1 3.3Å; F31-Y172 HydrophobicContact CD2-CE1 3.3Å; F31-Y172 AromaticContact CE2-CD1 3.31Å; F31-Y172 HydrophobicContact CE2-CD1 3.31Å; F31-Y172 AromaticContact CE2-CE1 3.4Å; F31-Y172 HydrophobicContact CE2-CE1 3.4Å; F31-Y172 VanDerWaalsContact CE2-CE1 3.4Å; F31-Y172 HydrophobicContact CG-CE1 4.34Å; F31-Y172 HydrophobicContact CZ-CD1 4.19Å; D34-Y172 HydrophobicContact CB-CE1 3.98Å; D34-Y172 PolarHBondContact OD2-OH 2.78Å; V35-Y172 HydrophobicContact CG2-CD1 4.48Å; S168-Y172 WeakPolarHBondContact O-CB 3.27Å; S168-Y172 PolarHBondContact O-N 2.87Å; L169-Y172 CarbonylContact O-C 3.46Å; L169-Y172 PolarHBondContact O-N 2.74Å; L170-Y172 VanDerWaalsContact C-N 3.28Å; L170-Y172 PolarHBondContact O-N 2.93Å; Y172-Q175 PolarHBondContact O-N 2.93Å; Y172-T176 HydrophobicContact CD1-CG2 4.49Å; Y172-T176 HydrophobicContact CD2-CG2 4.14Å; Y172-T176 HydrophobicContact CE1-CG2 4.11Å; Y172-T176 HydrophobicContact CE2-CG2 3.62Å; Y172-T176 HydrophobicContact CG-CG2 4.5Å; Y172-T176 WeakPolarHBondContact O-CB 3.34Å; Y172-T176 VanDerWaalsContact O-CG2 3.28Å; Y172-T176 WeakPolarHBondContact O-CG2 3.34Å; Y172-T176 PolarHBondContact O-N 3.25Å; Y172-T176 PolarHBondContact O-OG1 2.88Å
173L57.5Low54.4Low1 Ų152.1 Ų52.11%0.00527%0.268CS..Hα-helixtrans-65.3-44.1177.6-76.5167.8000111F31 V63 L169 L170 Q175 T176 N177 G178 T179F31-L173 HydrophobicContact CE1-CD2 4.38Å; F31-L173 HydrophobicContact CE2-CD2 3.83Å; F31-L173 HydrophobicContact CE2-CG 4.45Å; F31-L173 HydrophobicContact CZ-CD2 3.43Å; F31-L173 VanDerWaalsContact CZ-CD2 3.43Å; F31-L173 HydrophobicContact CZ-CG 4.08Å; V63-L173 HydrophobicContact CG1-CD1 4.33Å; V63-L173 HydrophobicContact CG1-CD2 4.31Å; L169-L173 HydrophobicContact CD2-CD1 3.85Å; L169-L173 HydrophobicContact CG-CD1 3.81Å; L169-L173 HydrophobicContact CG-CG 4.1Å; L169-L173 WeakPolarHBondContact O-CB 3.44Å; L169-L173 WeakPolarHBondContact O-CG 3.28Å; L169-L173 PolarHBondContact O-N 3.3Å; L170-L173 PolarHBondContact O-N 2.89Å; L173-Q175 VanDerWaalsContact C-N 3.31Å; L173-Q175 PolarHBondContact O-N 3.44Å; L173-T176 PolarHBondContact O-N 3.19Å; L173-T176 PolarHBondContact O-OG1 3.24Å; L173-N177 PolarHBondContact O-N 3.42Å; L173-N177 VanDerWaalsContact O-N 3.17Å; L173-G178 PolarHBondContact O-N 2.86Å; L173-T179 HydrophobicContact CD1-CG2 4.37Å; L173-T179 HydrophobicContact CD2-CG2 4.36Å
174H59.1Low54.5Low146 Ų14654 Ų5468%0.67628%0.279SS*.Hα-helixtrans-62.1-39.3173.6-84.2-60.2000111.9L170 T176L170-H174 VanDerWaalsContact O-CB 3.25Å; L170-H174 WeakPolarHBondContact O-CB 3.18Å; L170-H174 PolarHBondContact O-CD2 3.44Å; L170-H174 PolarHBondContact O-N 2.83Å; H174-T176 VanDerWaalsContact C-N 3.31Å; H174-T176 PolarHBondContact O-N 3.42Å
175Q54.9Low54.8Low114 Ų11450.5 Ų50.553%0.53326%0.262SS..Hα-helixtrans-71.7-22.3176.4-75.3178.9100113.6P16 I171 Y172 L173P16-Q175 WeakPolarHBondContact CB-O 3.2Å; P16-Q175 WeakPolarHBondContact CG-O 3.23Å; I171-Q175 WeakPolarHBondContact O-CB 3.46Å; I171-Q175 VanDerWaalsContact O-CG 3.25Å; I171-Q175 WeakPolarHBondContact O-CG 3.36Å; I171-Q175 PolarHBondContact O-N 3.24Å; Y172-Q175 PolarHBondContact O-N 2.93Å; L173-Q175 VanDerWaalsContact C-N 3.31Å; L173-Q175 PolarHBondContact O-N 3.44Å
176T54Low55Low4 Ų450.8 Ų50.83%0.02526%0.263CS..Hα-helixtrans-106.4-5.2-171.253.20000115.4Y172 L173 H174 G178Y172-T176 HydrophobicContact CD1-CG2 4.49Å; Y172-T176 HydrophobicContact CD2-CG2 4.14Å; Y172-T176 HydrophobicContact CE1-CG2 4.11Å; Y172-T176 HydrophobicContact CE2-CG2 3.62Å; Y172-T176 HydrophobicContact CG-CG2 4.5Å; Y172-T176 WeakPolarHBondContact O-CB 3.34Å; Y172-T176 VanDerWaalsContact O-CG2 3.28Å; Y172-T176 WeakPolarHBondContact O-CG2 3.34Å; Y172-T176 PolarHBondContact O-N 3.25Å; Y172-T176 PolarHBondContact O-OG1 2.88Å; L173-T176 PolarHBondContact O-N 3.19Å; L173-T176 PolarHBondContact O-OG1 3.24Å; H174-T176 VanDerWaalsContact C-N 3.31Å; H174-T176 PolarHBondContact O-N 3.42Å; T176-G178 PolarHBondContact O-N 3.4Å; T176-G178 PolarHBondContact OG1-N 3.23Å
177N56.5Low54.6Low132 Ų13256.5 Ų56.571%0.70629%0.289SS*.THydrogen-bonded Turntrans48.523.7-160.9-71.7-30.9000112.1L173 T179L173-N177 PolarHBondContact O-N 3.42Å; L173-N177 VanDerWaalsContact O-N 3.17Å; N177-T179 VanDerWaalsContact C-N 3.31Å; N177-T179 PolarHBondContact O-N 3.5Å
178G54.6Low54.3Low0 Ų059.2 Ų59.20%030%0.303CS..Hα-helixtrans-73.3-24.5-164.200000112.9L173 T176 T180 A181 V182L173-G178 PolarHBondContact O-N 2.86Å; T176-G178 PolarHBondContact O-N 3.4Å; T176-G178 PolarHBondContact OG1-N 3.23Å; G178-T180 PolarHBondContact O-N 3.16Å; G178-A181 PolarHBondContact O-N 3.42Å; G178-A181 VanDerWaalsContact O-N 3.17Å; G178-V182 WeakPolarHBondContact O-CB 3.29Å; G178-V182 VanDerWaalsContact O-CG2 3.27Å; G178-V182 WeakPolarHBondContact O-CG2 3.45Å; G178-V182 PolarHBondContact O-N 3.02Å
179T55.8Low54.6Low15 Ų1559.6 Ų59.69%0.09230%0.3CS..Hα-helixtrans-58.4-47.5-173.9-12.10000111.8K59 D60 V63 L173 N177 A181 V182 V183K59-T179 HydrophobicContact CD-CG2 4.12Å; K59-T179 HydrophobicContact CG-CG2 4.11Å; D60-T179 WeakPolarHBondContact OD1-CG2 3.43Å; V63-T179 HydrophobicContact CG2-CG2 4.25Å; L173-T179 HydrophobicContact CD1-CG2 4.37Å; L173-T179 HydrophobicContact CD2-CG2 4.36Å; N177-T179 VanDerWaalsContact C-N 3.31Å; N177-T179 PolarHBondContact O-N 3.5Å; T179-A181 PolarHBondContact O-N 3.01Å; T179-V182 PolarHBondContact O-N 3.33Å; T179-V183 VanDerWaalsContact O-CB 3.26Å; T179-V183 WeakPolarHBondContact O-CB 3.04Å; T179-V183 WeakPolarHBondContact O-CG2 3.37Å; T179-V183 PolarHBondContact O-N 3.17Å
180T57.1Low54.4Low88 Ų8862.3 Ų62.354%0.5431%0.314SS..Hα-helixtrans-66.3-39.5-179.5-49.60000111.8G178 N184G178-T180 PolarHBondContact O-N 3.16Å; T180-N184 VanDerWaalsContact O-CB 3.29Å; T180-N184 WeakPolarHBondContact O-CB 3.25Å; T180-N184 PolarHBondContact O-N 2.66Å; T180-N184 PolarHBondContact O-ND2 3.37Å
181A55.2Low54.3Low21 Ų2163.2 Ų63.217%0.17432%0.318CS..Hα-helixtrans-67-41.2179.100000111.9V13 F27 G178 T179 F185V13-A181 HydrophobicContact CG2-CB 3.88Å; F27-A181 HydrophobicContact CD1-CB 4.05Å; F27-A181 HydrophobicContact CE1-CB 3.79Å; G178-A181 PolarHBondContact O-N 3.42Å; G178-A181 VanDerWaalsContact O-N 3.17Å; T179-A181 PolarHBondContact O-N 3.01Å; A181-F185 PolarHBondContact O-N 2.96Å
182V58.6Low54.4Low6 Ų661.2 Ų61.24%0.03631%0.307CS..Hα-helixtrans-73.5-41.6179.1-179.50000110.8F27 F31 V63 G178 T179 N184 F185 I186F27-V182 HydrophobicContact CE1-CG2 4.16Å; F31-V182 HydrophobicContact CD1-CG2 3.91Å; F31-V182 HydrophobicContact CE1-CG2 3.91Å; F31-V182 HydrophobicContact CG-CG2 4.48Å; V63-V182 HydrophobicContact CB-CG1 4.42Å; V63-V182 HydrophobicContact CG1-CB 4.4Å; V63-V182 HydrophobicContact CG1-CG1 3.81Å; V63-V182 HydrophobicContact CG2-CB 4.18Å; V63-V182 HydrophobicContact CG2-CG1 3.87Å; G178-V182 WeakPolarHBondContact O-CB 3.29Å; G178-V182 VanDerWaalsContact O-CG2 3.27Å; G178-V182 WeakPolarHBondContact O-CG2 3.45Å; G178-V182 PolarHBondContact O-N 3.02Å; T179-V182 PolarHBondContact O-N 3.33Å; V182-N184 PolarHBondContact O-N 3.37Å; V182-F185 CarbonylContact O-C 3.55Å; V182-F185 WeakPolarHBondContact O-CB 3.43Å; V182-F185 PolarHBondContact O-N 3.01Å; V182-F185 VanDerWaalsContact O-N 3.08Å; V182-I186 HydrophobicContact CG1-CD1 3.74Å; V182-I186 HydrophobicContact CG1-CG1 4.23Å; V182-I186 VanDerWaalsContact O-CG1 3.3Å; V182-I186 WeakPolarHBondContact O-CG1 3.26Å; V182-I186 PolarHBondContact O-N 2.88Å
183V57.6Low54.5Low17 Ų1763.5 Ų63.510%0.10332%0.321CS..Hα-helixtrans-60.2-47.3175.6171.80000111K59 V63 T179 F185 I186 E187K59-V183 HydrophobicContact CB-CG2 3.62Å; K59-V183 HydrophobicContact CD-CG2 4.47Å; V63-V183 HydrophobicContact CG2-CG2 3.88Å; T179-V183 VanDerWaalsContact O-CB 3.26Å; T179-V183 WeakPolarHBondContact O-CB 3.04Å; T179-V183 WeakPolarHBondContact O-CG2 3.37Å; T179-V183 PolarHBondContact O-N 3.17Å; V183-F185 PolarHBondContact O-N 3.39Å; V183-F185 VanDerWaalsContact O-N 3.12Å; V183-I186 PolarHBondContact O-N 3.13Å; V183-E187 HydrophobicContact CG1-CG 4.17Å; V183-E187 WeakPolarHBondContact O-CG 3.4Å; V183-E187 PolarHBondContact O-N 3.43Å
184N51.8Low54.3Low73 Ų7367.7 Ų67.739%0.3934%0.342SS..Hα-helixtrans-60.8-24.2177-74.6-17.5000112.9T180 V182 Q188T180-N184 VanDerWaalsContact O-CB 3.29Å; T180-N184 WeakPolarHBondContact O-CB 3.25Å; T180-N184 PolarHBondContact O-N 2.66Å; T180-N184 PolarHBondContact O-ND2 3.37Å; V182-N184 PolarHBondContact O-N 3.37Å; N184-Q188 WeakPolarHBondContact O-CG 3.38Å; N184-Q188 PolarHBondContact O-NE2 3.17Å
185F53.6Low53.9Low67 Ų6762.1 Ų62.129%0.29432%0.318SS..Hα-helixtrans-83.8-36.3173.6-175.2-91.3000111.9A181 V182 V183A181-F185 PolarHBondContact O-N 2.96Å; V182-F185 CarbonylContact O-C 3.55Å; V182-F185 WeakPolarHBondContact O-CB 3.43Å; V182-F185 PolarHBondContact O-N 3.01Å; V182-F185 VanDerWaalsContact O-N 3.08Å; V183-F185 PolarHBondContact O-N 3.39Å; V183-F185 VanDerWaalsContact O-N 3.12Å
186I54.5Low53.9Low12 Ų1258.1 Ų58.16%0.06230%0.301CS..Hα-helixtrans-67.8-35.4176.2-68.8168.5000111.2V63 H66 R107 V182 V183 Q188V63-I186 HydrophobicContact CG2-CD1 3.96Å; H66-I186 HydrophobicContact CB-CD1 3.6Å; H66-I186 HydrophobicContact CB-CG1 4.15Å; R107-I186 VanDerWaalsContact CZ-O 3.24Å; R107-I186 VanDerWaalsContact NH1-CG2 3.34Å; R107-I186 PolarHBondContact NH1-O 3.16Å; R107-I186 PolarHBondContact NH2-O 3.15Å; V182-I186 HydrophobicContact CG1-CD1 3.74Å; V182-I186 HydrophobicContact CG1-CG1 4.23Å; V182-I186 VanDerWaalsContact O-CG1 3.3Å; V182-I186 WeakPolarHBondContact O-CG1 3.26Å; V182-I186 PolarHBondContact O-N 2.88Å; V183-I186 PolarHBondContact O-N 3.13Å; I186-Q188 VanDerWaalsContact C-N 3.34Å
187E48.3Very low53.9Low149 Ų14962.6 Ų62.670%0.69632%0.324SS*.THydrogen-bonded Turntrans-81.8-6.6-177.5-69.2-177.1167.500114.6V183V183-E187 HydrophobicContact CG1-CG 4.17Å; V183-E187 WeakPolarHBondContact O-CG 3.4Å; V183-E187 PolarHBondContact O-N 3.43Å
188Q42.7Very low53.6Low171 Ų17156.3 Ų56.380%0.79929%0.29SS*.  trans-89.40170.3-72.8168.641.100111N184 I186N184-Q188 WeakPolarHBondContact O-CG 3.38Å; N184-Q188 PolarHBondContact O-NE2 3.17Å; I186-Q188 VanDerWaalsContact C-N 3.34Å

Retrieved 188 of 188 residues in 265.6 ms (Link to these results)

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