X5D7C2_HUMAN Loading...

Contactin associated protein-like 2 isoform F

AlphaFold DB , UniProt , Accession X5D7C2, Species HUMAN (Homo sapiens, Human), Gene CNTNAP2, Length 512 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
1M84.3Confident66.9Low46 Ų4636.4 Ų36.423%0.22727%0.274CS..  0168.4065.2-162.7167.800109.4L14 V66 S120 L121M1-L14 HydrophobicContact CE-CD2 3.11Å; M1-L14 HydrophobicContact SD-CD2 3.52Å; M1-L14 VanDerWaalsContact SD-CD2 3.52Å; M1-V66 HydrophobicContact CE-CB 3.65Å; M1-V66 HydrophobicContact CE-CG1 3.65Å; M1-V66 HydrophobicContact CE-CG2 4.37Å; M1-V66 HydrophobicContact CG-CB 4.18Å; M1-V66 PolarHBondContact N-O 3.26Å; M1-V66 PolarHBondContact O-N 3.35Å; M1-S120 WeakPolarHBondContact CA-O 3.43Å; M1-L121 HydrophobicContact CB-CB 4.49Å; M1-L121 HydrophobicContact CB-CD1 3.78Å; M1-L121 HydrophobicContact CG-CD1 4.42Å; M1-L121 HydrophobicContact SD-CD1 3.79Å
2Q78.6Confident66.3Low53 Ų5334.3 Ų34.325%0.24826%0.259CS..EExtended strand (participates in β ladder)trans-121.1139.9164.7-65.9-178.57.800109.8W63 H64 R65 I118 R119Q2-W63 HydrophobicContact CB-CE3 3.85Å; Q2-W63 HydrophobicContact CB-CZ3 4.33Å; Q2-H64 CarbonylContact C-O 3.58Å; Q2-H64 WeakPolarHBondContact CA-O 3.08Å; Q2-R65 HydrophobicContact CG-CB 4.22Å; Q2-R65 HydrophobicContact CG-CG 4.43Å; Q2-I118 WeakPolarHBondContact O-CA 3.48Å; Q2-R119 HydrophobicContact CB-CG 3.9Å; Q2-R119 PolarHBondContact N-O 3.33Å; Q2-R119 PolarHBondContact O-N 3.47Å
3A75.7Confident65.8Low2 Ų232.5 Ų32.52%0.01724%0.244CC..EExtended strand (participates in β ladder)trans-131.6140.2177.500000109.6L14 H64 F114 C117A3-L14 HydrophobicContact CB-CD1 4.21Å; A3-H64 PolarHBondContact N-O 3.18Å; A3-H64 PolarHBondContact O-N 3.37Å; A3-F114 HydrophobicContact CB-CE2 4.5Å; A3-F114 HydrophobicContact CB-CZ 4.06Å; A3-C117 CarbonylContact C-O 3.54Å; A3-C117 VanDerWaalsContact CA-O 3.22Å; A3-C117 WeakPolarHBondContact CA-O 3.16Å
4A74.8Confident65.7Low7 Ų730.4 Ų30.46%0.05823%0.227CC..EExtended strand (participates in β ladder)trans-116.392.6170.600000108.3Q62 W63 G116 C117A4-Q62 VanDerWaalsContact CA-O 3.23Å; A4-Q62 WeakPolarHBondContact CA-O 3.43Å; A4-Q62 WeakPolarHBondContact CB-O 3.45Å; A4-W63 HydrophobicContact CB-CD2 3.93Å; A4-W63 HydrophobicContact CB-CE3 3.84Å; A4-W63 HydrophobicContact CB-CG 4.42Å; A4-W63 HydrophobicContact CB-CZ3 4.13Å; A4-G116 CarbonylContact O-C 3.52Å; A4-G116 WeakPolarHBondContact O-CA 3.05Å; A4-C117 HydrophobicContact CB-CB 4.27Å; A4-C117 PolarHBondContact N-O 3.14Å; A4-C117 PolarHBondContact O-N 2.68Å
5P69.6Low65.7Low8 Ų829.7 Ų29.75%0.05222%0.219CC..EExtended strand (participates in β ladder)trans-71.6141.9-179.3-11.728.6000110.4W26 L58 N59 D61 F114P5-W26 HydrophobicContact CB-CH2 4.37Å; P5-W26 HydrophobicContact CB-CZ2 4.35Å; P5-W26 HydrophobicContact CG-CH2 3.6Å; P5-W26 HydrophobicContact CG-CZ2 3.4Å; P5-W26 VanDerWaalsContact CG-CZ2 3.4Å; P5-L58 WeakPolarHBondContact CD-O 3.44Å; P5-L58 WeakPolarHBondContact CG-O 3.25Å; P5-N59 HydrophobicContact CB-CB 4.29Å; P5-D61 PolarHBondContact O-N 3Å; P5-F114 HydrophobicContact CB-CE2 3.81Å; P5-F114 HydrophobicContact CB-CZ 4.28Å; P5-F114 HydrophobicContact CG-CE2 3.98Å; P5-F114 HydrophobicContact CG-CZ 4.38Å
6R69.3Low65.6Low34 Ų3432.3 Ų32.313%0.12822%0.222CC..PPolyproline II helixtrans-78.7139.7-173.1-160.7171-163.6158.13.9112.9G8 C9 D61 L115 E163 R164 Y165R6-G8 PolarHBondContact O-N 3.31Å; R6-C9 WeakPolarHBondContact O-CB 3.23Å; R6-C9 PolarHBondContact O-N 3.47Å; R6-D61 WeakPolarHBondContact CA-OD1 3.4Å; R6-L115 HydrophobicContact CB-CG 4.45Å; R6-L115 WeakPolarHBondContact CB-O 3.31Å; R6-L115 PolarHBondContact N-O 2.93Å; R6-E163 IonicContact CZ-OE1 3.95Å; R6-E163 IonicContact NH2-OE1 2.73Å; R6-E163 PolarHBondContact NH2-OE1 3.44Å; R6-R164 PolarHBondContact NH1-O 3.23Å; R6-R164 PolarHBondContact NH2-O 2.86Å; R6-Y165 PolarHBondContact NH1-O 2.86Å
7A58.4Low65.4Low52 Ų5231.5 Ų31.543%0.4322%0.215SC..THydrogen-bonded Turntrans-57.3137175.600000112.9C9 N59 D61A7-C9 VanDerWaalsContact C-N 3.25Å; A7-C9 PolarHBondContact O-N 2.98Å; A7-N59 WeakPolarHBondContact CA-O 3.35Å; A7-D61 PolarHBondContact N-OD1 2.82Å
8G54.8Low64.9Low80 Ų8033.7 Ų33.783%0.82523%0.227SC*.THydrogen-bonded Turntrans78.11.1-17800000115.1R6R6-G8 PolarHBondContact O-N 3.31Å
9C56.8Low63.8Low36 Ų3633.4 Ų33.424%0.24323%0.225CC..  trans-88.3140.7171.2-63.50000111.3R6 A7 N59 L115R6-C9 WeakPolarHBondContact O-CB 3.23Å; R6-C9 PolarHBondContact O-N 3.47Å; A7-C9 VanDerWaalsContact C-N 3.25Å; A7-C9 PolarHBondContact O-N 2.98Å; C9-N59 PolarHBondContact O-ND2 3.14Å; C9-L115 VanDerWaalsContact SG-CD2 3.53Å
10G55.3Low62.9Low54 Ų5435.4 Ų35.456%0.55724%0.24SC*.  trans-92.3-153.3177.800000113.2
11A58.3Low61.7Low28 Ų2834.3 Ų34.323%0.23123%0.232CC..  trans-57.9135.8179.700000112.4A28A11-A28 WeakPolarHBondContact CB-O 3.43Å
12A60.2Low59.6Low11 Ų1134.5 Ų34.59%0.09123%0.234CC..  trans-158.6135-172.500000112.9L14 G113 F114A12-L14 PolarHBondContact O-N 3.23Å; A12-G113 WeakPolarHBondContact CB-O 3.01Å; A12-F114 VanDerWaalsContact CB-CA 3.48Å; A12-F114 HydrophobicContact CB-CB 4.32Å
13L59.5Low57.6Low12 Ų1233.3 Ų33.36%0.06323%0.231CC..BIsolated β-bridgetrans-75.5118.6-176.4-177.664.7000111.8W16 R24 G106 G107 A108 Q112 F114L13-W16 HydrophobicContact CD2-CB 3.94Å; L13-W16 HydrophobicContact CD2-CG 4.35Å; L13-W16 HydrophobicContact CG-CB 4.44Å; L13-R24 HydrophobicContact CD1-CG 3.99Å; L13-G106 CarbonylContact O-C 3.58Å; L13-G107 PolarHBondContact O-N 3.4Å; L13-A108 HydrophobicContact CD2-CB 4.15Å; L13-Q112 PolarHBondContact N-O 2.93Å; L13-Q112 VanDerWaalsContact N-O 3.15Å; L13-F114 WeakPolarHBondContact O-CB 3.28Å; L13-F114 PolarHBondContact O-N 2.02Å
14L63.8Low56.1Low3 Ų337.5 Ų37.52%0.01625%0.247CC..  trans-89.4-39.9-179.7-164.289.9000113.9M1 A3 A12 A25 V105 G106 F114 I118M1-L14 HydrophobicContact CE-CD2 3.11Å; M1-L14 HydrophobicContact SD-CD2 3.52Å; M1-L14 VanDerWaalsContact SD-CD2 3.52Å; A3-L14 HydrophobicContact CB-CD1 4.21Å; A12-L14 PolarHBondContact O-N 3.23Å; L14-A25 HydrophobicContact CB-CB 3.93Å; L14-A25 HydrophobicContact CD2-CB 4.25Å; L14-V105 WeakPolarHBondContact O-CA 3.34Å; L14-G106 PolarHBondContact O-N 3.21Å; L14-F114 HydrophobicContact CD1-CB 3.99Å; L14-F114 HydrophobicContact CD1-CD1 3.67Å; L14-F114 HydrophobicContact CD1-CD2 3.32Å; L14-F114 HydrophobicContact CD1-CE1 3.87Å; L14-F114 HydrophobicContact CD1-CE2 3.54Å; L14-F114 HydrophobicContact CD1-CG 3.38Å; L14-F114 HydrophobicContact CD1-CZ 3.81Å; L14-I118 HydrophobicContact CD1-CD1 3.58Å; L14-I118 HydrophobicContact CD1-CG1 3.99Å; L14-I118 HydrophobicContact CG-CD1 4Å
15L66.4Low54.5Low19 Ų1937.5 Ų37.510%0.09925%0.246CC..EExtended strand (participates in β ladder)trans-147.6133.2-175.7-163.884.6000111.5C23 L103 F104 V105 L121L15-C23 HydrophobicContact CB-CB 3.73Å; L15-C23 HydrophobicContact CD2-CB 4.06Å; L15-C23 HydrophobicContact CG-CB 4.38Å; L15-C23 CarbonylContact O-C 3.59Å; L15-C23 VanDerWaalsContact O-C 3.32Å; L15-C23 WeakPolarHBondContact O-CA 3.22Å; L15-C23 WeakPolarHBondContact O-CB 3.21Å; L15-C23 PolarHBondContact O-N 3.08Å; L15-L103 HydrophobicContact CD1-CD1 3.67Å; L15-L103 HydrophobicContact CD1-CD2 4.24Å; L15-L103 HydrophobicContact CD1-CG 4.08Å; L15-L103 HydrophobicContact CD2-CD1 4.01Å; L15-L103 HydrophobicContact CG-CD1 3.74Å; L15-F104 CarbonylContact C-O 3.56Å; L15-F104 WeakPolarHBondContact CA-O 3.48Å; L15-V105 HydrophobicContact CD1-CB 4.39Å; L15-V105 HydrophobicContact CD1-CG1 4.48Å; L15-V105 HydrophobicContact CD1-CG2 3.73Å; L15-L121 HydrophobicContact CD1-CD2 4.19Å
16W64.6Low53.4Low72 Ų7237.9 Ų37.927%0.27325%0.247SC..EExtended strand (participates in β ladder)trans-141.3141.5179.7-175.361.1000112.8L13 V18 F104 A108L13-W16 HydrophobicContact CD2-CB 3.94Å; L13-W16 HydrophobicContact CD2-CG 4.35Å; L13-W16 HydrophobicContact CG-CB 4.44Å; W16-V18 HydrophobicContact CD2-CG2 4.18Å; W16-V18 HydrophobicContact CE3-CG2 3.63Å; W16-V18 HydrophobicContact CH2-CB 4.05Å; W16-V18 HydrophobicContact CH2-CG1 3.81Å; W16-V18 HydrophobicContact CH2-CG2 3.23Å; W16-V18 HydrophobicContact CZ2-CB 4.23Å; W16-V18 HydrophobicContact CZ2-CG1 3.96Å; W16-V18 HydrophobicContact CZ2-CG2 3.75Å; W16-V18 HydrophobicContact CZ3-CB 4.38Å; W16-V18 HydrophobicContact CZ3-CG2 3.15Å; W16-F104 HydrophobicContact CB-CB 4.17Å; W16-F104 HydrophobicContact CD2-CD2 4.39Å; W16-F104 HydrophobicContact CE3-CB 4.28Å; W16-F104 AromaticContact CE3-CD2 3.36Å; W16-F104 HydrophobicContact CE3-CD2 3.36Å; W16-F104 AromaticContact CE3-CE2 3.82Å; W16-F104 HydrophobicContact CE3-CE2 3.82Å; W16-F104 AromaticContact CE3-CG 3.85Å; W16-F104 HydrophobicContact CE3-CG 3.85Å; W16-F104 AromaticContact CZ3-CD2 3.87Å; W16-F104 HydrophobicContact CZ3-CD2 3.87Å; W16-F104 AromaticContact CZ3-CE2 3.82Å; W16-F104 HydrophobicContact CZ3-CE2 3.82Å; W16-F104 HydrophobicContact CZ3-CG 4.47Å; W16-F104 HydrophobicContact CZ3-CZ 4.36Å; W16-F104 PolarHBondContact N-O 3.48Å; W16-F104 PolarHBondContact O-N 3.27Å; W16-A108 HydrophobicContact CB-CB 4.22Å; W16-A108 HydrophobicContact CD2-CB 3.78Å; W16-A108 HydrophobicContact CE3-CB 3.12Å; W16-A108 HydrophobicContact CG-CB 4.26Å; W16-A108 HydrophobicContact CZ3-CB 3.65Å
17I61.8Low51.8Low18 Ų1838.6 Ų38.69%0.09226%0.255CS..EExtended strand (participates in β ladder)trans-133.9123.8176.6-53.2174.6000108.1S19 C21 L99 S101 L103 M123I17-S19 PolarHBondContact O-N 3.42Å; I17-C21 PolarHBondContact N-O 2.97Å; I17-C21 VanDerWaalsContact O-O 3.11Å; I17-L99 HydrophobicContact CB-CD2 4.14Å; I17-L99 HydrophobicContact CD1-CD1 3.86Å; I17-L99 HydrophobicContact CD1-CD2 4.32Å; I17-L99 HydrophobicContact CG2-CB 4.16Å; I17-L99 HydrophobicContact CG2-CD2 3.65Å; I17-L99 HydrophobicContact CG2-CG 4.33Å; I17-S101 VanDerWaalsContact CG2-OG 3.25Å; I17-S101 WeakPolarHBondContact CG2-OG 3.41Å; I17-L103 HydrophobicContact CD1-CD1 3.63Å; I17-L103 HydrophobicContact CG1-CD1 3.41Å; I17-L103 VanDerWaalsContact CG1-CD1 3.41Å; I17-M123 HydrophobicContact CD1-SD 4.42Å
18V55.4Low50.5Low72 Ų7237.1 Ų37.144%0.43624%0.242SC..THydrogen-bonded Turntrans-80.355.6-175.6-155.90000112.2W16 S101 F104W16-V18 HydrophobicContact CD2-CG2 4.18Å; W16-V18 HydrophobicContact CE3-CG2 3.63Å; W16-V18 HydrophobicContact CH2-CB 4.05Å; W16-V18 HydrophobicContact CH2-CG1 3.81Å; W16-V18 HydrophobicContact CH2-CG2 3.23Å; W16-V18 HydrophobicContact CZ2-CB 4.23Å; W16-V18 HydrophobicContact CZ2-CG1 3.96Å; W16-V18 HydrophobicContact CZ2-CG2 3.75Å; W16-V18 HydrophobicContact CZ3-CB 4.38Å; W16-V18 HydrophobicContact CZ3-CG2 3.15Å; V18-S101 VanDerWaalsContact C-CB 3.45Å; V18-S101 WeakPolarHBondContact CA-OG 3.42Å; V18-S101 PolarHBondContact N-OG 3.15Å; V18-S101 WeakPolarHBondContact O-CB 3.48Å; V18-S101 PolarHBondContact O-OG 2.88Å; V18-F104 HydrophobicContact CG2-CD2 4.15Å; V18-F104 HydrophobicContact CG2-CE2 3.59Å
19S45.4Very low49.5Very low27 Ų2737.8 Ų37.819%0.18923%0.232CC..THydrogen-bonded Turntrans-160.999.8151.358.40000105.9I17 C21 E98 L99 Y100 S101I17-S19 PolarHBondContact O-N 3.42Å; S19-C21 PolarHBondContact O-N 3.45Å; S19-E98 PolarHBondContact OG-O 2.94Å; S19-L99 WeakPolarHBondContact O-CD2 3.35Å; S19-L99 VanDerWaalsContact OG-CA 3.32Å; S19-L99 WeakPolarHBondContact OG-CA 3.31Å; S19-Y100 PolarHBondContact OG-N 3.39Å; S19-S101 PolarHBondContact N-OG 3.41Å
20S45.3Very low48.7Very low74 Ų7442.2 Ų42.252%0.51726%0.264SS..THydrogen-bonded Turntrans57.314.5168-34.80000117.5D42S20-D42 WeakPolarHBondContact CB-O 3.38Å; S20-D42 CarbonylContact O-C 3.59Å; S20-D42 WeakPolarHBondContact O-CA 3.29Å; S20-D42 PolarHBondContact O-N 2.9Å
21C38.3Very low48Very low13 Ų1346 Ų469%0.08828%0.276CS..EExtended strand (participates in β ladder)trans-127.6117.7176.5-146.80000111.9I17 S19 F41 L97 L99I17-C21 PolarHBondContact N-O 2.97Å; I17-C21 VanDerWaalsContact O-O 3.11Å; S19-C21 PolarHBondContact O-N 3.45Å; C21-F41 VanDerWaalsContact SG-CB 3.58Å; C21-L97 HydrophobicContact CB-CD1 4.44Å; C21-L97 HydrophobicContact CB-CD2 3.88Å; C21-L97 WeakPolarHBondContact SG-CD2 3.39Å; C21-L99 HydrophobicContact CB-CD2 3.67Å
22L40Very low47.2Very low49 Ų4946.9 Ų46.926%0.25728%0.28SS..EExtended strand (participates in β ladder)trans-116.185.9-174.2-176.970.6000108.9R24 S40L22-R24 HydrophobicContact CD1-CG 4.02Å; L22-R24 HydrophobicContact CD2-CG 3.92Å; L22-R24 HydrophobicContact CG-CB 4.33Å; L22-R24 HydrophobicContact CG-CG 3.76Å; L22-R24 PolarHBondContact O-N 3.36Å; L22-S40 CarbonylContact C-O 3.51Å; L22-S40 WeakPolarHBondContact CA-O 3.35Å; L22-S40 VanDerWaalsContact CB-OG 3.28Å; L22-S40 WeakPolarHBondContact CB-OG 3.5Å; L22-S40 VanDerWaalsContact CD2-OG 3.27Å; L22-S40 WeakPolarHBondContact CD2-OG 3.29Å; L22-S40 VanDerWaalsContact CG-OG 3.29Å; L22-S40 WeakPolarHBondContact CG-OG 3.41Å; L22-S40 PolarHBondContact N-O 3.02Å; L22-S40 CarbonylContact O-C 3.45Å; L22-S40 WeakPolarHBondContact O-CA 3.4Å; L22-S40 WeakPolarHBondContact O-CB 3.4Å; L22-S40 PolarHBondContact O-N 2.91Å; L22-S40 PolarHBondContact O-OG 3.32Å
23C36.4Very low46.9Very low28 Ų2850.2 Ų50.219%0.18930%0.301CS..  trans-72.769167.2-83.20000110.7L15 A25 F39L15-C23 HydrophobicContact CB-CB 3.73Å; L15-C23 HydrophobicContact CD2-CB 4.06Å; L15-C23 HydrophobicContact CG-CB 4.38Å; L15-C23 CarbonylContact O-C 3.59Å; L15-C23 VanDerWaalsContact O-C 3.32Å; L15-C23 WeakPolarHBondContact O-CA 3.22Å; L15-C23 WeakPolarHBondContact O-CB 3.21Å; L15-C23 PolarHBondContact O-N 3.08Å; C23-A25 VanDerWaalsContact C-N 3.26Å; C23-A25 PolarHBondContact O-N 3.32Å; C23-F39 WeakPolarHBondContact SG-CD2 3.36Å; C23-F39 WeakPolarHBondContact SG-CE2 3.35Å
24R42.8Very low47.4Very low91 Ų9150.1 Ų50.134%0.34330%0.302SS..  trans-70.687.5162.7-89.1178.5-162-137.82.8107.6L13 L22 S38L13-R24 HydrophobicContact CD1-CG 3.99Å; L22-R24 HydrophobicContact CD1-CG 4.02Å; L22-R24 HydrophobicContact CD2-CG 3.92Å; L22-R24 HydrophobicContact CG-CB 4.33Å; L22-R24 HydrophobicContact CG-CG 3.76Å; L22-R24 PolarHBondContact O-N 3.36Å; R24-S38 CarbonylContact C-O 3.51Å; R24-S38 VanDerWaalsContact C-O 3.31Å; R24-S38 CarbonylContact O-C 3.56Å; R24-S38 WeakPolarHBondContact O-CA 3.21Å; R24-S38 WeakPolarHBondContact O-CB 3.48Å; R24-S38 PolarHBondContact O-N 2.81Å; R24-S38 PolarHBondContact O-OG 3.43Å
25A41.1Very low48.3Very low6 Ų651 Ų515%0.0531%0.308CS..  trans-74.9133.6151.400000105.7L14 C23 V37 S38L14-A25 HydrophobicContact CB-CB 3.93Å; L14-A25 HydrophobicContact CD2-CB 4.25Å; C23-A25 VanDerWaalsContact C-N 3.26Å; C23-A25 PolarHBondContact O-N 3.32Å; A25-V37 HydrophobicContact CB-CG1 3.8Å; A25-S38 WeakPolarHBondContact CA-O 3.44Å; A25-S38 PolarHBondContact N-O 2.78Å
26W47.2Very low49.2Very low17 Ų1751.5 Ų51.56%0.06431%0.31CS..  trans81.498174.4-41.997.6000117.1P5 A34 E36 V37 L58P5-W26 HydrophobicContact CB-CH2 4.37Å; P5-W26 HydrophobicContact CB-CZ2 4.35Å; P5-W26 HydrophobicContact CG-CH2 3.6Å; P5-W26 HydrophobicContact CG-CZ2 3.4Å; P5-W26 VanDerWaalsContact CG-CZ2 3.4Å; W26-A34 HydrophobicContact CZ3-CB 4.34Å; W26-E36 WeakPolarHBondContact CA-O 3.2Å; W26-E36 VanDerWaalsContact CE3-O 3.22Å; W26-V37 HydrophobicContact CD2-CG2 4.22Å; W26-V37 HydrophobicContact CE3-CG2 4.34Å; W26-V37 HydrophobicContact CH2-CG2 4.1Å; W26-V37 HydrophobicContact CZ2-CG2 3.84Å; W26-V37 HydrophobicContact CZ3-CG2 4.32Å; W26-L58 HydrophobicContact CH2-CB 3.21Å; W26-L58 HydrophobicContact CH2-CD1 3.74Å; W26-L58 HydrophobicContact CH2-CG 4.13Å; W26-L58 HydrophobicContact CZ2-CB 4.39Å; W26-L58 HydrophobicContact CZ3-CB 3.58Å; W26-L58 HydrophobicContact CZ3-CD1 3.9Å; W26-L58 HydrophobicContact CZ3-CG 4.37Å
27T35Very low50.2Low49 Ų4948.1 Ų48.130%0.30130%0.297SS..  trans-130.3122.2162.752.90000110.2
28A32.6Very low51.4Low20 Ų2047.4 Ų47.417%0.16529%0.294CS..  trans-155.2130.6174.400000107A11 S32A11-A28 WeakPolarHBondContact CB-O 3.43Å; A28-S32 WeakPolarHBondContact CA-OG 3.45Å; A28-S32 WeakPolarHBondContact CB-OG 3.47Å
29P32.8Very low52.9Low95 Ų9544.7 Ų44.762%0.61728%0.276SS*.  trans-58.4159.5171.324.1-31.3000110.2T31 S32P29-T31 PolarHBondContact O-N 3.46Å; P29-S32 WeakPolarHBondContact CD-OG 3.2Å; P29-S32 PolarHBondContact O-N 2.87Å
30S40.4Very low54.8Low128 Ų12843.7 Ų43.790%0.89527%0.269SS*.THydrogen-bonded Turntrans-58.88.1-171.858.80000116.5
31T40.2Very low56.5Low135 Ų13540.9 Ų40.983%0.82825%0.247SC*.THydrogen-bonded Turntrans-135.73.8178.249.30000113.8P29P29-T31 PolarHBondContact O-N 3.46Å
32S42.4Very low58.6Low45 Ų4542.4 Ų42.432%0.31526%0.255SS..SBendtrans-100.7146.2176.795.80000112.3A28 P29A28-S32 WeakPolarHBondContact CA-OG 3.45Å; A28-S32 WeakPolarHBondContact CB-OG 3.47Å; P29-S32 WeakPolarHBondContact CD-OG 3.2Å; P29-S32 PolarHBondContact O-N 2.87Å
33P53.1Low60.3Low82 Ų8240.8 Ų40.853%0.53225%0.247SC..  trans-63.6142.4-178.228.2-34.8000110.3T35P33-T35 HydrophobicContact CB-CG2 3.92Å; P33-T35 HydrophobicContact CG-CG2 4.14Å; P33-T35 PolarHBondContact O-N 3.29Å; P33-T35 PolarHBondContact O-OG1 2.85Å
34A69.7Low62.2Low10 Ų1042.2 Ų42.28%0.08327%0.267CS..SBendtrans-72.965.5179.600000111.1W26 L58 N59W26-A34 HydrophobicContact CZ3-CB 4.34Å; A34-L58 PolarHBondContact O-N 3.29Å; A34-N59 HydrophobicContact CB-CB 3.87Å; A34-N59 VanDerWaalsContact CB-CG 3.45Å
35T83.1Confident63.8Low22 Ų2241.9 Ų41.914%0.13527%0.272CS..  trans-108.4-1.8-174.351.40000112.6P33 R53 S54P33-T35 HydrophobicContact CB-CG2 3.92Å; P33-T35 HydrophobicContact CG-CG2 4.14Å; P33-T35 PolarHBondContact O-N 3.29Å; P33-T35 PolarHBondContact O-OG1 2.85Å; T35-R53 CarbonylContact O-C 3.54Å; T35-S54 WeakPolarHBondContact CB-O 3.06Å; T35-S54 WeakPolarHBondContact O-CB 3.23Å; T35-S54 PolarHBondContact O-N 3.02Å
36E85.8Confident65.4Low29 Ų2942.8 Ų42.814%0.13628%0.282CS..EExtended strand (participates in β ladder)trans-119135-170.9-52.9-165.2-168.500112.4W26 V51 V52 R53W26-E36 WeakPolarHBondContact CA-O 3.2Å; W26-E36 VanDerWaalsContact CE3-O 3.22Å; E36-V51 HydrophobicContact CB-CG1 4.19Å; E36-V52 WeakPolarHBondContact CA-O 3.3Å; E36-R53 VanDerWaalsContact CD-NH2 3.33Å; E36-R53 HydrophobicContact CG-CG 4.06Å; E36-R53 IonicContact OE1-CZ 2.69Å; E36-R53 IonicContact OE1-NE 3.76Å; E36-R53 IonicContact OE1-NH1 2.77Å; E36-R53 PolarHBondContact OE1-NH1 2.96Å; E36-R53 IonicContact OE1-NH2 3.46Å; E36-R53 PolarHBondContact OE1-NH2 3.48Å; E36-R53 IonicContact OE2-CZ 3.98Å; E36-R53 IonicContact OE2-NE 2.8Å; E36-R53 IonicContact OE2-NH2 2.72Å; E36-R53 PolarHBondContact OE2-NH2 3.37Å
37V85.8Confident67Low0 Ų047.4 Ų47.40%031%0.314CS..EExtended strand (participates in β ladder)trans-121.5125.1170.5179.50000108.3A25 W26 V51 V52 L58 V66 L77 V79A25-V37 HydrophobicContact CB-CG1 3.8Å; W26-V37 HydrophobicContact CD2-CG2 4.22Å; W26-V37 HydrophobicContact CE3-CG2 4.34Å; W26-V37 HydrophobicContact CH2-CG2 4.1Å; W26-V37 HydrophobicContact CZ2-CG2 3.84Å; W26-V37 HydrophobicContact CZ3-CG2 4.32Å; V37-V51 WeakPolarHBondContact O-CA 3.49Å; V37-V52 PolarHBondContact N-O 3.48Å; V37-V52 PolarHBondContact O-N 2.97Å; V37-L58 HydrophobicContact CG2-CD1 3.77Å; V37-V66 HydrophobicContact CG1-CG1 4.28Å; V37-L77 HydrophobicContact CG1-CD2 4.28Å; V37-L77 VanDerWaalsContact O-CD2 3.28Å; V37-L77 WeakPolarHBondContact O-CD2 3.35Å; V37-V79 HydrophobicContact CB-CG2 3.71Å; V37-V79 HydrophobicContact CG1-CG2 3.95Å; V37-V79 HydrophobicContact CG2-CG1 4.41Å; V37-V79 HydrophobicContact CG2-CG2 3.84Å
38S86.7Confident69.2Low4 Ų446.7 Ų46.73%0.02831%0.309CS..EExtended strand (participates in β ladder)trans-103.1163.817424.60000113.3R24 A25 E49 I50R24-S38 CarbonylContact C-O 3.51Å; R24-S38 VanDerWaalsContact C-O 3.31Å; R24-S38 CarbonylContact O-C 3.56Å; R24-S38 WeakPolarHBondContact O-CA 3.21Å; R24-S38 WeakPolarHBondContact O-CB 3.48Å; R24-S38 PolarHBondContact O-N 2.81Å; R24-S38 PolarHBondContact O-OG 3.43Å; A25-S38 WeakPolarHBondContact CA-O 3.44Å; A25-S38 PolarHBondContact N-O 2.78Å; S38-E49 WeakPolarHBondContact CB-OE1 3Å; S38-E49 PolarHBondContact OG-OE1 3.44Å; S38-I50 CarbonylContact C-O 3.55Å; S38-I50 WeakPolarHBondContact CA-O 3.26Å
39F87.5Confident71.8Confident15 Ų1550.3 Ų50.37%0.06632%0.323CS..EExtended strand (participates in β ladder)trans-141.4117.2167.2169.8-134.5000107.2C23 F41 E49 I50 A68 A75 L77C23-F39 WeakPolarHBondContact SG-CD2 3.36Å; C23-F39 WeakPolarHBondContact SG-CE2 3.35Å; F39-F41 HydrophobicContact CD1-CD1 4.39Å; F39-F41 AromaticContact CE1-CD1 3.86Å; F39-F41 HydrophobicContact CE1-CD1 3.86Å; F39-F41 HydrophobicContact CE1-CE1 4.06Å; F39-F41 HydrophobicContact CE2-CD1 4.38Å; F39-F41 AromaticContact CZ-CD1 3.85Å; F39-F41 HydrophobicContact CZ-CD1 3.85Å; F39-F41 HydrophobicContact CZ-CE1 4.47Å; F39-E49 CarbonylContact O-C 3.51Å; F39-E49 WeakPolarHBondContact O-CA 3.49Å; F39-I50 HydrophobicContact CD1-CD1 4.26Å; F39-I50 PolarHBondContact N-O 3.39Å; F39-I50 PolarHBondContact O-N 3.38Å; F39-A68 HydrophobicContact CD1-CB 4.05Å; F39-A68 HydrophobicContact CD2-CB 4.16Å; F39-A68 HydrophobicContact CE1-CB 4.26Å; F39-A68 HydrophobicContact CE2-CB 4.39Å; F39-A68 HydrophobicContact CG-CB 4Å; F39-A68 HydrophobicContact CZ-CB 4.42Å; F39-A75 HydrophobicContact CE1-CB 4.31Å; F39-L77 HydrophobicContact CB-CB 4.35Å; F39-L77 HydrophobicContact CB-CD1 4.08Å; F39-L77 HydrophobicContact CB-CD2 3.92Å; F39-L77 HydrophobicContact CB-CG 4.34Å
40S84.8Confident74.5Confident6 Ų646.3 Ų46.34%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-124149.6-179.358.20000114.1L22 V48L22-S40 CarbonylContact C-O 3.51Å; L22-S40 WeakPolarHBondContact CA-O 3.35Å; L22-S40 VanDerWaalsContact CB-OG 3.28Å; L22-S40 WeakPolarHBondContact CB-OG 3.5Å; L22-S40 VanDerWaalsContact CD2-OG 3.27Å; L22-S40 WeakPolarHBondContact CD2-OG 3.29Å; L22-S40 VanDerWaalsContact CG-OG 3.29Å; L22-S40 WeakPolarHBondContact CG-OG 3.41Å; L22-S40 PolarHBondContact N-O 3.02Å; L22-S40 CarbonylContact O-C 3.45Å; L22-S40 WeakPolarHBondContact O-CA 3.4Å; L22-S40 WeakPolarHBondContact O-CB 3.4Å; L22-S40 PolarHBondContact O-N 2.91Å; L22-S40 PolarHBondContact O-OG 3.32Å; S40-V48 CarbonylContact C-O 3.59Å; S40-V48 WeakPolarHBondContact CA-O 3.24Å; S40-V48 WeakPolarHBondContact CB-O 3.43Å
41F81.8Confident76.8Confident14 Ų1442.4 Ų42.46%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-158.5155.318061.1-89.3000110.2C21 F39 V43 V48 A75C21-F41 VanDerWaalsContact SG-CB 3.58Å; F39-F41 HydrophobicContact CD1-CD1 4.39Å; F39-F41 AromaticContact CE1-CD1 3.86Å; F39-F41 HydrophobicContact CE1-CD1 3.86Å; F39-F41 HydrophobicContact CE1-CE1 4.06Å; F39-F41 HydrophobicContact CE2-CD1 4.38Å; F39-F41 AromaticContact CZ-CD1 3.85Å; F39-F41 HydrophobicContact CZ-CD1 3.85Å; F39-F41 HydrophobicContact CZ-CE1 4.47Å; F41-V43 HydrophobicContact CD2-CG1 4.09Å; F41-V48 HydrophobicContact CD2-CB 4.38Å; F41-V48 HydrophobicContact CE1-CB 4.18Å; F41-V48 HydrophobicContact CE1-CG1 4.01Å; F41-V48 HydrophobicContact CE2-CB 3.97Å; F41-V48 HydrophobicContact CE2-CG1 4.33Å; F41-V48 HydrophobicContact CE2-CG2 4.2Å; F41-V48 HydrophobicContact CZ-CB 3.86Å; F41-V48 HydrophobicContact CZ-CG1 3.74Å; F41-V48 HydrophobicContact CZ-CG2 4.42Å; F41-V48 PolarHBondContact N-O 2.97Å; F41-V48 PolarHBondContact O-N 3.42Å; F41-A75 HydrophobicContact CE1-CB 3.48Å; F41-A75 VanDerWaalsContact CE1-CB 3.48Å; F41-A75 HydrophobicContact CZ-CB 3.59Å
42D80.7Confident79.2Confident45 Ų4536.2 Ų36.224%0.24123%0.228CC..EExtended strand (participates in β ladder)trans-131.6131.4176.5-171.4-14.7000108.5S20 G44 N45 G46 L97S20-D42 WeakPolarHBondContact CB-O 3.38Å; S20-D42 CarbonylContact O-C 3.59Å; S20-D42 WeakPolarHBondContact O-CA 3.29Å; S20-D42 PolarHBondContact O-N 2.9Å; D42-G44 PolarHBondContact OD1-N 3.29Å; D42-N45 PolarHBondContact OD1-N 3.32Å; D42-G46 WeakPolarHBondContact OD1-CA 3.49Å; D42-G46 PolarHBondContact OD1-N 3.02Å; D42-G46 WeakPolarHBondContact OD2-CA 3.31Å; D42-L97 VanDerWaalsContact O-CD1 3.26Å; D42-L97 WeakPolarHBondContact O-CD1 3.38Å
43V77.3Confident81.5Confident15 Ų1542.2 Ų42.29%0.09124%0.244CC..SBendtrans-115.619.6-179-66.50000111.3F41 H94 L97F41-V43 HydrophobicContact CD2-CG1 4.09Å; V43-H94 VanDerWaalsContact O-CB 3.31Å; V43-H94 WeakPolarHBondContact O-CB 3.34Å; V43-H94 PolarHBondContact O-CD2 3.47Å; V43-L97 HydrophobicContact CG1-CB 4.27Å; V43-L97 HydrophobicContact CG1-CD1 4.12Å
44G74.5Confident83.2Confident59 Ų5939 Ų3961%0.60822%0.224SC*.SBendtrans95.8-3.8-176.600000114.1D42D42-G44 PolarHBondContact OD1-N 3.29Å
45N76.6Confident84Confident84 Ų8444 Ų4445%0.44926%0.255SS..SBendtrans-103.17.5174.7-69.8-0000112.8D42 E92 G93D42-N45 PolarHBondContact OD1-N 3.32Å; N45-E92 PolarHBondContact ND2-O 3.48Å; N45-G93 WeakPolarHBondContact ND2-CA 3.4Å
46G76.6Confident84.1Confident25 Ų2546.7 Ų46.726%0.25827%0.272SS..  trans98.4167.5-17400000113.4D42D42-G46 WeakPolarHBondContact OD1-CA 3.49Å; D42-G46 PolarHBondContact OD1-N 3.02Å; D42-G46 WeakPolarHBondContact OD2-CA 3.31Å
47P79.4Confident84.1Confident114 Ų11448.3 Ų48.374%0.7429%0.285SS*.EExtended strand (participates in β ladder)trans-72135-172.628.7-34.9000112
48V82.4Confident83.9Confident33 Ų3348.4 Ų48.420%0.229%0.286CS..EExtended strand (participates in β ladder)trans-112.9136.3171.7179.80000108.1S40 F41 R87S40-V48 CarbonylContact C-O 3.59Å; S40-V48 WeakPolarHBondContact CA-O 3.24Å; S40-V48 WeakPolarHBondContact CB-O 3.43Å; F41-V48 HydrophobicContact CD2-CB 4.38Å; F41-V48 HydrophobicContact CE1-CB 4.18Å; F41-V48 HydrophobicContact CE1-CG1 4.01Å; F41-V48 HydrophobicContact CE2-CB 3.97Å; F41-V48 HydrophobicContact CE2-CG1 4.33Å; F41-V48 HydrophobicContact CE2-CG2 4.2Å; F41-V48 HydrophobicContact CZ-CB 3.86Å; F41-V48 HydrophobicContact CZ-CG1 3.74Å; F41-V48 HydrophobicContact CZ-CG2 4.42Å; F41-V48 PolarHBondContact N-O 2.97Å; F41-V48 PolarHBondContact O-N 3.42Å; V48-R87 HydrophobicContact CG1-CG 4.03Å
49E85.9Confident83.5Confident97 Ų9749.7 Ų49.745%0.45329%0.292SS..EExtended strand (participates in β ladder)trans-127.9138.6176.3-173.7172.4-148.200110.9S38 F39 V51S38-E49 WeakPolarHBondContact CB-OE1 3Å; S38-E49 PolarHBondContact OG-OE1 3.44Å; F39-E49 CarbonylContact O-C 3.51Å; F39-E49 WeakPolarHBondContact O-CA 3.49Å; E49-V51 HydrophobicContact CG-CG2 4Å
50I89.2Confident83Confident10 Ų1052 Ų525%0.05131%0.305CS..EExtended strand (participates in β ladder)trans-120.7128.3173.2-52.8-180000107.3S38 F39 A75 L77 Q85 R87S38-I50 CarbonylContact C-O 3.55Å; S38-I50 WeakPolarHBondContact CA-O 3.26Å; F39-I50 HydrophobicContact CD1-CD1 4.26Å; F39-I50 PolarHBondContact N-O 3.39Å; F39-I50 PolarHBondContact O-N 3.38Å; I50-A75 HydrophobicContact CD1-CB 3.63Å; I50-L77 HydrophobicContact CB-CB 4.32Å; I50-L77 HydrophobicContact CG2-CB 3.78Å; I50-L77 WeakPolarHBondContact O-CD2 3.35Å; I50-Q85 HydrophobicContact CG2-CB 3.63Å; I50-R87 HydrophobicContact CD1-CB 3.7Å; I50-R87 HydrophobicContact CG1-CB 3.91Å
51V89.7Confident82.5Confident47 Ų4755.2 Ų55.229%0.28532%0.322SS..EExtended strand (participates in β ladder)trans-120.9132.4-177.3-170.70000110.3E36 V37 E49 R53E36-V51 HydrophobicContact CB-CG1 4.19Å; V37-V51 WeakPolarHBondContact O-CA 3.49Å; E49-V51 HydrophobicContact CG-CG2 4Å; V51-R53 HydrophobicContact CG1-CG 4.35Å
52V89.9Confident82.5Confident4 Ų460 Ų602%0.02435%0.345CS..EExtended strand (participates in β ladder)trans-107.5129.6167.31750000108.5E36 V37 L77 V79 L82 Q85E36-V52 WeakPolarHBondContact CA-O 3.3Å; V37-V52 PolarHBondContact N-O 3.48Å; V37-V52 PolarHBondContact O-N 2.97Å; V52-L77 HydrophobicContact CB-CD2 4.36Å; V52-L77 HydrophobicContact CG2-CB 4.13Å; V52-L77 HydrophobicContact CG2-CD2 3.86Å; V52-L77 HydrophobicContact CG2-CG 3.72Å; V52-V79 HydrophobicContact CB-CG2 3.88Å; V52-V79 HydrophobicContact CG1-CB 3.98Å; V52-V79 HydrophobicContact CG1-CG2 3.87Å; V52-V79 HydrophobicContact CG2-CG2 4.3Å; V52-L82 HydrophobicContact CG1-CB 4.19Å; V52-L82 HydrophobicContact CG1-CD1 3.86Å; V52-Q85 HydrophobicContact CG2-CB 4.16Å; V52-Q85 HydrophobicContact CG2-CG 3.71Å
53R90.4Very high82.8Confident171 Ų17161.7 Ų61.765%0.64535%0.347SS*.EExtended strand (participates in β ladder)trans-108.3128.2177-57.8-173.6175.2-123.2-16.6110.3T35 E36 V51T35-R53 CarbonylContact O-C 3.54Å; E36-R53 VanDerWaalsContact CD-NH2 3.33Å; E36-R53 HydrophobicContact CG-CG 4.06Å; E36-R53 IonicContact OE1-CZ 2.69Å; E36-R53 IonicContact OE1-NE 3.76Å; E36-R53 IonicContact OE1-NH1 2.77Å; E36-R53 PolarHBondContact OE1-NH1 2.96Å; E36-R53 IonicContact OE1-NH2 3.46Å; E36-R53 PolarHBondContact OE1-NH2 3.48Å; E36-R53 IonicContact OE2-CZ 3.98Å; E36-R53 IonicContact OE2-NE 2.8Å; E36-R53 IonicContact OE2-NH2 2.72Å; E36-R53 PolarHBondContact OE2-NH2 3.37Å; V51-R53 HydrophobicContact CG1-CG 4.35Å
54S88.6Confident83.3Confident14 Ų1461.6 Ų61.610%0.09835%0.346CS..  trans-93.6143175.8178.90000111T35 T56T35-S54 WeakPolarHBondContact CB-O 3.06Å; T35-S54 WeakPolarHBondContact O-CB 3.23Å; T35-S54 PolarHBondContact O-N 3.02Å; S54-T56 VanDerWaalsContact C-N 3.25Å; S54-T56 VanDerWaalsContact CB-O 3.24Å; S54-T56 WeakPolarHBondContact CB-O 3.21Å; S54-T56 PolarHBondContact O-N 3.04Å; S54-T56 PolarHBondContact OG-N 3.41Å; S54-T56 PolarHBondContact OG-O 2.84Å
55P88.1Confident84.2Confident115 Ų11566 Ų6675%0.74734%0.344SS*.SBendtrans-69.1-23.6172.128.7-34.5000112.9
56T85.3Confident84.9Confident80 Ų8062.2 Ų62.249%0.49132%0.324SS..SBendtrans-114.2150.6177.256.30000110.9S54 L58S54-T56 VanDerWaalsContact C-N 3.25Å; S54-T56 VanDerWaalsContact CB-O 3.24Å; S54-T56 WeakPolarHBondContact CB-O 3.21Å; S54-T56 PolarHBondContact O-N 3.04Å; S54-T56 PolarHBondContact OG-N 3.41Å; S54-T56 PolarHBondContact OG-O 2.84Å; T56-L58 PolarHBondContact O-N 2.86Å
57P84.4Confident85.7Confident62 Ų6263.5 Ų63.540%0.40333%0.327SS..  trans-55.9135.2170.3-20.231.9000109.8N59P57-N59 WeakPolarHBondContact CB-OD1 3.19Å
58L81.6Confident86.2Confident3 Ų360.5 Ų60.52%0.01631%0.312CS..SBendtrans-99.37.2-179.6-59.8165.1000111.3P5 W26 A34 V37 T56 D60 H64 V79P5-L58 WeakPolarHBondContact CD-O 3.44Å; P5-L58 WeakPolarHBondContact CG-O 3.25Å; W26-L58 HydrophobicContact CH2-CB 3.21Å; W26-L58 HydrophobicContact CH2-CD1 3.74Å; W26-L58 HydrophobicContact CH2-CG 4.13Å; W26-L58 HydrophobicContact CZ2-CB 4.39Å; W26-L58 HydrophobicContact CZ3-CB 3.58Å; W26-L58 HydrophobicContact CZ3-CD1 3.9Å; W26-L58 HydrophobicContact CZ3-CG 4.37Å; A34-L58 PolarHBondContact O-N 3.29Å; V37-L58 HydrophobicContact CG2-CD1 3.77Å; T56-L58 PolarHBondContact O-N 2.86Å; L58-D60 VanDerWaalsContact C-N 3.34Å; L58-H64 VanDerWaalsContact CD2-CE1 3.46Å; L58-H64 WeakPolarHBondContact CD2-CE1 3.43Å; L58-H64 PolarHBondContact O-CD2 3.29Å; L58-H64 VanDerWaalsContact O-CD2 3.26Å; L58-H64 PolarHBondContact O-NE2 2.96Å; L58-H64 VanDerWaalsContact O-NE2 3.16Å; L58-V79 HydrophobicContact CD1-CG1 4.3Å; L58-V79 HydrophobicContact CD2-CG1 4.46Å
59N78.9Confident86.6Confident31 Ų3163.9 Ų63.917%0.16633%0.326CS..  trans-98.954.4170.166.8-23.4000110.4P5 A7 C9 A34 P57P5-N59 HydrophobicContact CB-CB 4.29Å; A7-N59 WeakPolarHBondContact CA-O 3.35Å; C9-N59 PolarHBondContact O-ND2 3.14Å; A34-N59 HydrophobicContact CB-CB 3.87Å; A34-N59 VanDerWaalsContact CB-CG 3.45Å; P57-N59 WeakPolarHBondContact CB-OD1 3.19Å
60D76.9Confident86.6Confident63 Ų6362.6 Ų62.634%0.33732%0.316SS..SBendtrans-107.416-172.463.1-2.4000112.8L58 Q62 H64L58-D60 VanDerWaalsContact C-N 3.34Å; D60-Q62 HydrophobicContact CB-CG 4.46Å; D60-Q62 PolarHBondContact O-N 2.86Å; D60-Q62 VanDerWaalsContact O-N 3.13Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.38Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.38Å; D60-Q62 PolarHBondContact OD1-N 3.39Å; D60-H64 IonicContact OD1-CD2 3.7Å; D60-H64 IonicContact OD1-CE1 2.85Å; D60-H64 IonicContact OD1-NE2 2.83Å; D60-H64 PolarHBondContact OD1-NE2 2.92Å; D60-H64 IonicContact OD2-CE1 3.38Å; D60-H64 IonicContact OD2-NE2 3.22Å
61D74Confident86.4Confident73 Ų7364.8 Ų64.839%0.3933%0.328SS..SBendtrans57.815.8-171.9-60.2-41.4000113.8P5 R6 A7P5-D61 PolarHBondContact O-N 3Å; R6-D61 WeakPolarHBondContact CA-OD1 3.4Å; A7-D61 PolarHBondContact N-OD1 2.82Å
62Q82.8Confident86.1Confident116 Ų11667.3 Ų67.354%0.54234%0.344SS..SBendtrans-99.2158175.8-56.2-55.5-57.800112.5A4 D60 H64A4-Q62 VanDerWaalsContact CA-O 3.23Å; A4-Q62 WeakPolarHBondContact CA-O 3.43Å; A4-Q62 WeakPolarHBondContact CB-O 3.45Å; D60-Q62 HydrophobicContact CB-CG 4.46Å; D60-Q62 PolarHBondContact O-N 2.86Å; D60-Q62 VanDerWaalsContact O-N 3.13Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.38Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.38Å; D60-Q62 PolarHBondContact OD1-N 3.39Å; Q62-H64 PolarHBondContact O-CD2 3.05Å; Q62-H64 PolarHBondContact O-N 3.06Å
63W85.8Confident85.8Confident80 Ų8075.1 Ų75.130%0.30338%0.377SS..  trans-77.7117.5178.2-73.9103.6000111.8Q2 A4 C117 R119 C144Q2-W63 HydrophobicContact CB-CE3 3.85Å; Q2-W63 HydrophobicContact CB-CZ3 4.33Å; A4-W63 HydrophobicContact CB-CD2 3.93Å; A4-W63 HydrophobicContact CB-CE3 3.84Å; A4-W63 HydrophobicContact CB-CG 4.42Å; A4-W63 HydrophobicContact CB-CZ3 4.13Å; W63-C117 HydrophobicContact CH2-CB 3.48Å; W63-C117 VanDerWaalsContact CH2-CB 3.48Å; W63-C117 HydrophobicContact CZ2-CB 4.06Å; W63-C117 HydrophobicContact CZ3-CB 4.07Å; W63-R119 HydrophobicContact CE3-CG 4.01Å; W63-R119 HydrophobicContact CH2-CB 3.85Å; W63-R119 HydrophobicContact CH2-CG 3.62Å; W63-R119 HydrophobicContact CZ2-CG 4.25Å; W63-R119 HydrophobicContact CZ3-CB 4.04Å; W63-R119 HydrophobicContact CZ3-CG 3.5Å; W63-C144 HydrophobicContact CH2-CB 4.3Å; W63-C144 HydrophobicContact CZ2-CB 3.98Å
64H89.3Confident85.8Confident13 Ų1370.2 Ų70.26%0.0636%0.362CS..EExtended strand (participates in β ladder)trans-104.8133.9171.3-61.3-70.7000111.6Q2 A3 L58 D60 Q62 D80Q2-H64 CarbonylContact C-O 3.58Å; Q2-H64 WeakPolarHBondContact CA-O 3.08Å; A3-H64 PolarHBondContact N-O 3.18Å; A3-H64 PolarHBondContact O-N 3.37Å; L58-H64 VanDerWaalsContact CD2-CE1 3.46Å; L58-H64 WeakPolarHBondContact CD2-CE1 3.43Å; L58-H64 PolarHBondContact O-CD2 3.29Å; L58-H64 VanDerWaalsContact O-CD2 3.26Å; L58-H64 PolarHBondContact O-NE2 2.96Å; L58-H64 VanDerWaalsContact O-NE2 3.16Å; D60-H64 IonicContact OD1-CD2 3.7Å; D60-H64 IonicContact OD1-CE1 2.85Å; D60-H64 IonicContact OD1-NE2 2.83Å; D60-H64 PolarHBondContact OD1-NE2 2.92Å; D60-H64 IonicContact OD2-CE1 3.38Å; D60-H64 IonicContact OD2-NE2 3.22Å; Q62-H64 PolarHBondContact O-CD2 3.05Å; Q62-H64 PolarHBondContact O-N 3.06Å; H64-D80 VanDerWaalsContact CA-OD1 3.23Å; H64-D80 WeakPolarHBondContact CA-OD1 2.97Å; H64-D80 IonicContact CE1-OD2 3.69Å; H64-D80 IonicContact CG-OD2 3.52Å; H64-D80 IonicContact ND1-OD1 3.52Å; H64-D80 IonicContact ND1-OD2 3.42Å; H64-D80 PolarHBondContact ND1-OD2 3.24Å
65R91.9Very high85.9Confident150 Ų15069.6 Ų69.657%0.56636%0.358SS*.EExtended strand (participates in β ladder)trans-90.3118.7175.3-177.2179.3176.1177-1.5109.9Q2 V79 D80Q2-R65 HydrophobicContact CG-CB 4.22Å; Q2-R65 HydrophobicContact CG-CG 4.43Å; R65-V79 CarbonylContact O-C 3.53Å; R65-V79 WeakPolarHBondContact O-CA 3.31Å; R65-D80 PolarHBondContact N-OD1 3.03Å; R65-D80 PolarHBondContact O-N 3.5Å
66V92.8Very high86.1Confident6 Ų664.4 Ų64.44%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-111.3125175.5-175.20000109.9M1 V37 L77M1-V66 HydrophobicContact CE-CB 3.65Å; M1-V66 HydrophobicContact CE-CG1 3.65Å; M1-V66 HydrophobicContact CE-CG2 4.37Å; M1-V66 HydrophobicContact CG-CB 4.18Å; M1-V66 PolarHBondContact N-O 3.26Å; M1-V66 PolarHBondContact O-N 3.35Å; V37-V66 HydrophobicContact CG1-CG1 4.28Å; V66-L77 HydrophobicContact CG1-CD1 3.94Å
67T91.9Very high86.4Confident52 Ų5260.7 Ų60.732%0.31930%0.301SS..EExtended strand (participates in β ladder)trans-123.3114.9176.6-49.40000108.6Q78T67-Q78 PolarHBondContact N-O 3.26Å; T67-Q78 PolarHBondContact O-N 3.48Å
68A91.2Very high86.9Confident50 Ų5060.8 Ų60.841%0.41330%0.296SS..EExtended strand (participates in β ladder)trans-115.3130.6172.800000108.2F39 S76 L77F39-A68 HydrophobicContact CD1-CB 4.05Å; F39-A68 HydrophobicContact CD2-CB 4.16Å; F39-A68 HydrophobicContact CE1-CB 4.26Å; F39-A68 HydrophobicContact CE2-CB 4.39Å; F39-A68 HydrophobicContact CG-CB 4Å; F39-A68 HydrophobicContact CZ-CB 4.42Å; A68-S76 WeakPolarHBondContact CA-O 3.49Å; A68-L77 HydrophobicContact CB-CD1 4.11Å
69E89.6Confident87.4Confident105 Ų10560.6 Ų60.649%0.49130%0.295SS..EExtended strand (participates in β ladder)trans-133.1137.7179.2-170.5-176.415400109.6A75 S76E69-A75 CarbonylContact O-C 3.45Å; E69-A75 VanDerWaalsContact O-CA 3.26Å; E69-A75 WeakPolarHBondContact O-CA 3.46Å; E69-S76 PolarHBondContact N-O 3Å; E69-S76 PolarHBondContact O-N 3.44Å
70R87.1Confident88Confident69 Ų6961.6 Ų61.626%0.2630%0.301SS..EExtended strand (participates in β ladder)trans-130.2128168.6179.7-174.8178.7-88.8-6.7108.5A75 T95R70-A75 HydrophobicContact CB-CB 4.25Å; R70-A75 HydrophobicContact CG-CB 4.23Å; R70-T95 PolarHBondContact NH1-O 3.33Å; R70-T95 VanDerWaalsContact NH1-O 3.07Å; R70-T95 PolarHBondContact NH2-O 3.35Å
71N83.8Confident88.8Confident56 Ų5670.1 Ų70.130%0.29933%0.328SS..  trans-124.1-177.5167.764.150.5000109.9K73 Q74N71-K73 PolarHBondContact O-N 3.27Å; N71-K73 WeakPolarHBondContact OD1-CA 3.49Å; N71-K73 WeakPolarHBondContact OD1-CB 3.45Å; N71-K73 PolarHBondContact OD1-N 3.29Å; N71-Q74 PolarHBondContact N-O 3.5Å; N71-Q74 PolarHBondContact OD1-N 3.15Å; N71-Q74 PolarHBondContact OD1-O 2.95Å
72V83.1Confident89.7Confident101 Ų10168.4 Ų68.461%0.61232%0.319SS*.SBendtrans-65.1-19.6-178.6-77.80000114.1A89V72-A89 WeakPolarHBondContact O-CB 3.44Å
73K84.9Confident90.3Very high168 Ų16867.6 Ų67.673%0.7332%0.324SS*.SBendtrans-100.2-33.7-177.4-63-176.1-179.9-179.70112.9N71 A89N71-K73 PolarHBondContact O-N 3.27Å; N71-K73 WeakPolarHBondContact OD1-CA 3.49Å; N71-K73 WeakPolarHBondContact OD1-CB 3.45Å; N71-K73 PolarHBondContact OD1-N 3.29Å; K73-A89 WeakPolarHBondContact O-CB 3.44Å; K73-A89 PolarHBondContact O-N 3.37Å
74Q89.7Confident90.7Very high67 Ų6768 Ų6831%0.31333%0.329SS..EExtended strand (participates in β ladder)trans-159.3160.6-17466.4-173.321.400112.3N71 I86 R87N71-Q74 PolarHBondContact N-O 3.5Å; N71-Q74 PolarHBondContact OD1-N 3.15Å; N71-Q74 PolarHBondContact OD1-O 2.95Å; Q74-I86 HydrophobicContact CB-CG2 3.96Å; Q74-I86 HydrophobicContact CG-CG2 4.17Å; Q74-I86 VanDerWaalsContact OE1-CG2 3.3Å; Q74-R87 CarbonylContact C-O 3.45Å; Q74-R87 VanDerWaalsContact CA-O 3.27Å; Q74-R87 WeakPolarHBondContact CA-O 3.42Å; Q74-R87 WeakPolarHBondContact CB-O 3.14Å
75A90.1Very high90.9Very high2 Ų271.5 Ų71.52%0.01735%0.345CS..EExtended strand (participates in β ladder)trans-113.2150.9163.300000109.8F39 F41 I50 E69 R70 I86 R87F39-A75 HydrophobicContact CE1-CB 4.31Å; F41-A75 HydrophobicContact CE1-CB 3.48Å; F41-A75 VanDerWaalsContact CE1-CB 3.48Å; F41-A75 HydrophobicContact CZ-CB 3.59Å; I50-A75 HydrophobicContact CD1-CB 3.63Å; E69-A75 CarbonylContact O-C 3.45Å; E69-A75 VanDerWaalsContact O-CA 3.26Å; E69-A75 WeakPolarHBondContact O-CA 3.46Å; R70-A75 HydrophobicContact CB-CB 4.25Å; R70-A75 HydrophobicContact CG-CB 4.23Å; A75-I86 CarbonylContact O-C 3.59Å; A75-I86 WeakPolarHBondContact O-CA 3.11Å; A75-R87 PolarHBondContact N-O 3.21Å; A75-R87 PolarHBondContact O-N 3.4Å
76S92.4Very high91Very high6 Ų668.4 Ų68.44%0.04234%0.339CS..EExtended strand (participates in β ladder)trans-146.3149.7179.374.80000112.9A68 E69 Q84 Q85A68-S76 WeakPolarHBondContact CA-O 3.49Å; E69-S76 PolarHBondContact N-O 3Å; E69-S76 PolarHBondContact O-N 3.44Å; S76-Q84 PolarHBondContact OG-NE2 3.15Å; S76-Q85 CarbonylContact C-O 3.54Å; S76-Q85 WeakPolarHBondContact CA-O 3.35Å; S76-Q85 WeakPolarHBondContact CB-O 3.29Å
77L93.3Very high90.8Very high1 Ų175.5 Ų75.51%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-130.5133.5175.9-17962000109.4V37 F39 I50 V52 V66 A68 Q85V37-L77 HydrophobicContact CG1-CD2 4.28Å; V37-L77 VanDerWaalsContact O-CD2 3.28Å; V37-L77 WeakPolarHBondContact O-CD2 3.35Å; F39-L77 HydrophobicContact CB-CB 4.35Å; F39-L77 HydrophobicContact CB-CD1 4.08Å; F39-L77 HydrophobicContact CB-CD2 3.92Å; F39-L77 HydrophobicContact CB-CG 4.34Å; I50-L77 HydrophobicContact CB-CB 4.32Å; I50-L77 HydrophobicContact CG2-CB 3.78Å; I50-L77 WeakPolarHBondContact O-CD2 3.35Å; V52-L77 HydrophobicContact CB-CD2 4.36Å; V52-L77 HydrophobicContact CG2-CB 4.13Å; V52-L77 HydrophobicContact CG2-CD2 3.86Å; V52-L77 HydrophobicContact CG2-CG 3.72Å; V66-L77 HydrophobicContact CG1-CD1 3.94Å; A68-L77 HydrophobicContact CB-CD1 4.11Å; L77-Q85 PolarHBondContact N-O 3.36Å; L77-Q85 PolarHBondContact O-N 2.93Å
78Q93.3Very high90.6Very high64 Ų6481.4 Ų81.430%0.29939%0.386SS..EExtended strand (participates in β ladder)trans-134.7134.5173.1-172.4175.332.700110.1T67 L82 Q84T67-Q78 PolarHBondContact N-O 3.26Å; T67-Q78 PolarHBondContact O-N 3.48Å; Q78-L82 PolarHBondContact NE2-O 3.44Å; Q78-Q84 HydrophobicContact CB-CB 4.41Å; Q78-Q84 HydrophobicContact CB-CG 4.37Å
79V92.6Very high90.1Very high0 Ų080.8 Ų80.80%038%0.381CS..EExtended strand (participates in β ladder)trans-118.3124.7173.5-176.50000107.8V37 V52 L58 R65 R81 L82V37-V79 HydrophobicContact CB-CG2 3.71Å; V37-V79 HydrophobicContact CG1-CG2 3.95Å; V37-V79 HydrophobicContact CG2-CG1 4.41Å; V37-V79 HydrophobicContact CG2-CG2 3.84Å; V52-V79 HydrophobicContact CB-CG2 3.88Å; V52-V79 HydrophobicContact CG1-CB 3.98Å; V52-V79 HydrophobicContact CG1-CG2 3.87Å; V52-V79 HydrophobicContact CG2-CG2 4.3Å; L58-V79 HydrophobicContact CD1-CG1 4.3Å; L58-V79 HydrophobicContact CD2-CG1 4.46Å; R65-V79 CarbonylContact O-C 3.53Å; R65-V79 WeakPolarHBondContact O-CA 3.31Å; V79-R81 PolarHBondContact O-N 3.01Å; V79-L82 HydrophobicContact CB-CD1 4.34Å; V79-L82 WeakPolarHBondContact O-CB 3.45Å; V79-L82 WeakPolarHBondContact O-CG 3.29Å; V79-L82 PolarHBondContact O-N 3.49Å
80D92.8Very high89.5Confident52 Ų5279.4 Ų79.428%0.27838%0.382SS..THydrogen-bonded Turntrans49.3-120.1-175.5-61-37.4000112.9H64 R65H64-D80 VanDerWaalsContact CA-OD1 3.23Å; H64-D80 WeakPolarHBondContact CA-OD1 2.97Å; H64-D80 IonicContact CE1-OD2 3.69Å; H64-D80 IonicContact CG-OD2 3.52Å; H64-D80 IonicContact ND1-OD1 3.52Å; H64-D80 IonicContact ND1-OD2 3.42Å; H64-D80 PolarHBondContact ND1-OD2 3.24Å; R65-D80 PolarHBondContact N-OD1 3.03Å; R65-D80 PolarHBondContact O-N 3.5Å
81R92.1Very high88.6Confident242 Ų24283.5 Ų83.591%0.91341%0.414SS*.THydrogen-bonded Turntrans-108.312.3175.9-58.5-178.2-174.9166.62111.7V79V79-R81 PolarHBondContact O-N 3.01Å
82L93.3Very high87.8Confident37 Ų3788.5 Ų88.519%0.19444%0.436CS..SBendtrans-65.9155.7176-60.7176.3000110.5V52 Q78 V79 Q84V52-L82 HydrophobicContact CG1-CB 4.19Å; V52-L82 HydrophobicContact CG1-CD1 3.86Å; Q78-L82 PolarHBondContact NE2-O 3.44Å; V79-L82 HydrophobicContact CB-CD1 4.34Å; V79-L82 WeakPolarHBondContact O-CB 3.45Å; V79-L82 WeakPolarHBondContact O-CG 3.29Å; V79-L82 PolarHBondContact O-N 3.49Å; L82-Q84 PolarHBondContact O-N 3.31Å
83P94.9Very high86.9Confident99 Ų9986 Ų8664%0.64343%0.43SS*.PPolyproline II helixtrans-54.9127.9178.2-25.934.8000111.9Q85P83-Q85 PolarHBondContact O-N 3.03Å
84Q94.3Very high86Confident89 Ų8984 Ų8442%0.41642%0.423SS..PPolyproline II helixtrans-63.9128177.4-177.1-178.313.400110S76 Q78 L82 I86S76-Q84 PolarHBondContact OG-NE2 3.15Å; Q78-Q84 HydrophobicContact CB-CB 4.41Å; Q78-Q84 HydrophobicContact CB-CG 4.37Å; L82-Q84 PolarHBondContact O-N 3.31Å; Q84-I86 HydrophobicContact CG-CG1 4.08Å
85Q94.8Very high84.9Confident86 Ų8685.1 Ų85.140%0.40244%0.435SS..EExtended strand (participates in β ladder)trans-94.2130175.1-63.5-59.4-40.100109.2I50 V52 S76 L77 P83I50-Q85 HydrophobicContact CG2-CB 3.63Å; V52-Q85 HydrophobicContact CG2-CB 4.16Å; V52-Q85 HydrophobicContact CG2-CG 3.71Å; S76-Q85 CarbonylContact C-O 3.54Å; S76-Q85 WeakPolarHBondContact CA-O 3.35Å; S76-Q85 WeakPolarHBondContact CB-O 3.29Å; L77-Q85 PolarHBondContact N-O 3.36Å; L77-Q85 PolarHBondContact O-N 2.93Å; P83-Q85 PolarHBondContact O-N 3.03Å
86I92.6Very high83.9Confident84 Ų8493.9 Ų93.943%0.43147%0.467SS..EExtended strand (participates in β ladder)trans-125.2132.5-174.1-57.6178000109.8Q74 A75 Q84Q74-I86 HydrophobicContact CB-CG2 3.96Å; Q74-I86 HydrophobicContact CG-CG2 4.17Å; Q74-I86 VanDerWaalsContact OE1-CG2 3.3Å; A75-I86 CarbonylContact O-C 3.59Å; A75-I86 WeakPolarHBondContact O-CA 3.11Å; Q84-I86 HydrophobicContact CG-CG1 4.08Å
87R89.2Confident83Confident156 Ų15695.4 Ų95.459%0.58948%0.475SS*.EExtended strand (participates in β ladder)trans-120.3119.8172.9-17067.6170.3170.5-1.5109.3V48 I50 Q74 A75V48-R87 HydrophobicContact CG1-CG 4.03Å; I50-R87 HydrophobicContact CD1-CB 3.7Å; I50-R87 HydrophobicContact CG1-CB 3.91Å; Q74-R87 CarbonylContact C-O 3.45Å; Q74-R87 VanDerWaalsContact CA-O 3.27Å; Q74-R87 WeakPolarHBondContact CA-O 3.42Å; Q74-R87 WeakPolarHBondContact CB-O 3.14Å; A75-R87 PolarHBondContact N-O 3.21Å; A75-R87 PolarHBondContact O-N 3.4Å
88K87.5Confident81.7Confident175 Ų17599.8 Ų99.876%0.76150%0.495SS*.EExtended strand (participates in β ladder)trans-64.9143.5175.3-67.7-175.5179.2179.30110.4
89A81.3Confident80.6Confident38 Ų38100.1 Ų100.131%0.31450%0.498SS..PPolyproline II helixtrans-66141.9172.800000109.7V72 K73V72-A89 WeakPolarHBondContact O-CB 3.44Å; K73-A89 WeakPolarHBondContact O-CB 3.44Å; K73-A89 PolarHBondContact O-N 3.37Å
90P75.9Confident79.5Confident76 Ų76108.8 Ų108.849%0.49453%0.532SS..PPolyproline II helixtrans-55.4143.1171.3-24.334.3000111.5E92P90-E92 VanDerWaalsContact C-N 3.27Å; P90-E92 WeakPolarHBondContact CB-O 3.29Å; P90-E92 PolarHBondContact O-N 3.2Å
91T69.6Low78.5Confident154 Ų154108.2 Ų108.295%0.94553%0.533SS*.SBendtrans-70.4-24.5176.335.20000112.9
92E66.2Low77.9Confident162 Ų162103.6 Ų103.676%0.75752%0.521SS*.SBendtrans-118.1126.5176.1-62.9-176.2177.300108.6N45 P90N45-E92 PolarHBondContact ND2-O 3.48Å; P90-E92 VanDerWaalsContact C-N 3.27Å; P90-E92 WeakPolarHBondContact CB-O 3.29Å; P90-E92 PolarHBondContact O-N 3.2Å
93G63.6Low77.4Confident47 Ų47104.4 Ų104.449%0.48553%0.526SS..SBendtrans148.7172.4-179.400000116.1N45 T95N45-G93 WeakPolarHBondContact ND2-CA 3.4Å; G93-T95 PolarHBondContact O-N 3.29Å
94H65.9Low76.8Confident128 Ų128102.9 Ų102.959%0.59351%0.509SS*.  trans-70.5127.1170.7-56.4-84.3000110.4V43V43-H94 VanDerWaalsContact O-CB 3.31Å; V43-H94 WeakPolarHBondContact O-CB 3.34Å; V43-H94 PolarHBondContact O-CD2 3.47Å
95T67.8Low76.3Confident90 Ų90100.2 Ų100.255%0.55250%0.499SS*.  trans-83.6-29.3178.754.20000111.5R70 G93R70-T95 PolarHBondContact NH1-O 3.33Å; R70-T95 VanDerWaalsContact NH1-O 3.07Å; R70-T95 PolarHBondContact NH2-O 3.35Å; G93-T95 PolarHBondContact O-N 3.29Å
96R69.4Low75.6Confident185 Ų18596.5 Ų96.570%0.69848%0.483SS*.PPolyproline II helixtrans-92.6130.7-178.2-165175.3177.390.61.4110.7E98R96-E98 HydrophobicContact CG-CG 4.01Å; R96-E98 IonicContact NE-OE1 3.46Å; R96-E98 PolarHBondContact NE-OE1 3.12Å
97L71.9Confident74.8Confident38 Ų3893.6 Ų93.620%0.19947%0.474CS..PPolyproline II helixtrans-98.8118.7168.4177.870.5000107C21 D42 V43 L99C21-L97 HydrophobicContact CB-CD1 4.44Å; C21-L97 HydrophobicContact CB-CD2 3.88Å; C21-L97 WeakPolarHBondContact SG-CD2 3.39Å; D42-L97 VanDerWaalsContact O-CD1 3.26Å; D42-L97 WeakPolarHBondContact O-CD1 3.38Å; V43-L97 HydrophobicContact CG1-CB 4.27Å; V43-L97 HydrophobicContact CG1-CD1 4.12Å; L97-L99 HydrophobicContact CD2-CD1 4.39Å; L97-L99 HydrophobicContact CD2-CD2 4.11Å; L97-L99 HydrophobicContact CD2-CG 4.35Å; L97-L99 HydrophobicContact CG-CD2 4.1Å; L97-L99 HydrophobicContact CG-CG 4.26Å
98E66.8Low74Confident94 Ų9486.8 Ų86.844%0.43945%0.451SS..PPolyproline II helixtrans-103118.2-179.6-58.9-170.5144.400110.1S19 R96 Y100S19-E98 PolarHBondContact OG-O 2.94Å; R96-E98 HydrophobicContact CG-CG 4.01Å; R96-E98 IonicContact NE-OE1 3.46Å; R96-E98 PolarHBondContact NE-OE1 3.12Å; E98-Y100 HydrophobicContact CB-CD2 4.1Å; E98-Y100 HydrophobicContact CB-CE2 3.37Å; E98-Y100 VanDerWaalsContact CD-OH 3.23Å; E98-Y100 HydrophobicContact CG-CE2 4.36Å; E98-Y100 PolarHBondContact OE2-OH 3.32Å
99L70.6Confident72.8Confident70 Ų7082.1 Ų82.137%0.36645%0.453SS..  trans-107.4103.5-177.2-60.4169.8000108.2I17 S19 C21 L97I17-L99 HydrophobicContact CB-CD2 4.14Å; I17-L99 HydrophobicContact CD1-CD1 3.86Å; I17-L99 HydrophobicContact CD1-CD2 4.32Å; I17-L99 HydrophobicContact CG2-CB 4.16Å; I17-L99 HydrophobicContact CG2-CD2 3.65Å; I17-L99 HydrophobicContact CG2-CG 4.33Å; S19-L99 WeakPolarHBondContact O-CD2 3.35Å; S19-L99 VanDerWaalsContact OG-CA 3.32Å; S19-L99 WeakPolarHBondContact OG-CA 3.31Å; C21-L99 HydrophobicContact CB-CD2 3.67Å; L97-L99 HydrophobicContact CD2-CD1 4.39Å; L97-L99 HydrophobicContact CD2-CD2 4.11Å; L97-L99 HydrophobicContact CD2-CG 4.35Å; L97-L99 HydrophobicContact CG-CD2 4.1Å; L97-L99 HydrophobicContact CG-CG 4.26Å
100Y68.6Low71.8Confident182 Ų18284.6 Ų84.671%0.71448%0.483SS*.  trans-105.40.9-177.7-66-69.3000113.7S19 E98S19-Y100 PolarHBondContact OG-N 3.39Å; E98-Y100 HydrophobicContact CB-CD2 4.1Å; E98-Y100 HydrophobicContact CB-CE2 3.37Å; E98-Y100 VanDerWaalsContact CD-OH 3.23Å; E98-Y100 HydrophobicContact CG-CE2 4.36Å; E98-Y100 PolarHBondContact OE2-OH 3.32Å
101S72.9Confident71.4Confident41 Ų4186.4 Ų86.429%0.28748%0.484SS..SBendtrans-116.7172.7-169.157.50000112.9I17 V18 S19I17-S101 VanDerWaalsContact CG2-OG 3.25Å; I17-S101 WeakPolarHBondContact CG2-OG 3.41Å; V18-S101 VanDerWaalsContact C-CB 3.45Å; V18-S101 WeakPolarHBondContact CA-OG 3.42Å; V18-S101 PolarHBondContact N-OG 3.15Å; V18-S101 WeakPolarHBondContact O-CB 3.48Å; V18-S101 PolarHBondContact O-OG 2.88Å; S19-S101 PolarHBondContact N-OG 3.41Å
102Q79.6Confident71.2Confident144 Ų14486.5 Ų86.567%0.67347%0.474SS*.PPolyproline II helixtrans-68.3145.6178.4-61.61792000111.5F104Q102-F104 HydrophobicContact CB-CE2 3.98Å; Q102-F104 HydrophobicContact CB-CZ 4.3Å; Q102-F104 WeakPolarHBondContact O-CD2 3.36Å
103L81.3Confident71.6Confident54 Ų5480.4 Ų80.428%0.28345%0.454SS..EExtended strand (participates in β ladder)trans-83.7124.3169.1-178.274.5000109.7L15 I17 V105 M123 L128L15-L103 HydrophobicContact CD1-CD1 3.67Å; L15-L103 HydrophobicContact CD1-CD2 4.24Å; L15-L103 HydrophobicContact CD1-CG 4.08Å; L15-L103 HydrophobicContact CD2-CD1 4.01Å; L15-L103 HydrophobicContact CG-CD1 3.74Å; I17-L103 HydrophobicContact CD1-CD1 3.63Å; I17-L103 HydrophobicContact CG1-CD1 3.41Å; I17-L103 VanDerWaalsContact CG1-CD1 3.41Å; L103-V105 HydrophobicContact CD2-CG2 3.89Å; L103-V105 HydrophobicContact CG-CG2 4.12Å; L103-M123 HydrophobicContact CB-CE 4.38Å; L103-M123 HydrophobicContact CD1-CE 3.52Å; L103-M123 HydrophobicContact CD2-CE 3.24Å; L103-M123 HydrophobicContact CG-CE 3.86Å; L103-L128 HydrophobicContact CD2-CD1 3.39Å
104F83.1Confident72.4Confident68 Ų6879.2 Ų79.230%0.29844%0.436SS..EExtended strand (participates in β ladder)trans-103134.3170-62.8-93.7000109.2L15 W16 V18 Q102 A108L15-F104 CarbonylContact C-O 3.56Å; L15-F104 WeakPolarHBondContact CA-O 3.48Å; W16-F104 HydrophobicContact CB-CB 4.17Å; W16-F104 HydrophobicContact CD2-CD2 4.39Å; W16-F104 HydrophobicContact CE3-CB 4.28Å; W16-F104 AromaticContact CE3-CD2 3.36Å; W16-F104 HydrophobicContact CE3-CD2 3.36Å; W16-F104 AromaticContact CE3-CE2 3.82Å; W16-F104 HydrophobicContact CE3-CE2 3.82Å; W16-F104 AromaticContact CE3-CG 3.85Å; W16-F104 HydrophobicContact CE3-CG 3.85Å; W16-F104 AromaticContact CZ3-CD2 3.87Å; W16-F104 HydrophobicContact CZ3-CD2 3.87Å; W16-F104 AromaticContact CZ3-CE2 3.82Å; W16-F104 HydrophobicContact CZ3-CE2 3.82Å; W16-F104 HydrophobicContact CZ3-CG 4.47Å; W16-F104 HydrophobicContact CZ3-CZ 4.36Å; W16-F104 PolarHBondContact N-O 3.48Å; W16-F104 PolarHBondContact O-N 3.27Å; V18-F104 HydrophobicContact CG2-CD2 4.15Å; V18-F104 HydrophobicContact CG2-CE2 3.59Å; Q102-F104 HydrophobicContact CB-CE2 3.98Å; Q102-F104 HydrophobicContact CB-CZ 4.3Å; Q102-F104 WeakPolarHBondContact O-CD2 3.36Å; F104-A108 HydrophobicContact CB-CB 3.99Å; F104-A108 HydrophobicContact CD1-CB 4.19Å; F104-A108 HydrophobicContact CG-CB 4Å
105V84.4Confident73Confident32 Ų3275.5 Ų75.519%0.19442%0.42CS..EExtended strand (participates in β ladder)trans-123.7130179.1-175.10000107.1L14 L15 L103 G107 I118 L121 L130L14-V105 WeakPolarHBondContact O-CA 3.34Å; L15-V105 HydrophobicContact CD1-CB 4.39Å; L15-V105 HydrophobicContact CD1-CG1 4.48Å; L15-V105 HydrophobicContact CD1-CG2 3.73Å; L103-V105 HydrophobicContact CD2-CG2 3.89Å; L103-V105 HydrophobicContact CG-CG2 4.12Å; V105-G107 VanDerWaalsContact C-N 3.33Å; V105-G107 PolarHBondContact O-N 3.41Å; V105-I118 HydrophobicContact CG1-CD1 3.72Å; V105-L121 HydrophobicContact CG1-CD2 4.32Å; V105-L121 HydrophobicContact CG2-CD2 3.87Å; V105-L130 HydrophobicContact CG1-CD1 4.48Å; V105-L130 HydrophobicContact CG1-CD2 4.31Å; V105-L130 HydrophobicContact CG2-CD2 4.2Å
106G78.6Confident73.7Confident8 Ų873 Ų738%0.08241%0.412CS..SBendtrans84.2-5.9176.700000115.9L13 L14 G113 F114L13-G106 CarbonylContact O-C 3.58Å; L14-G106 PolarHBondContact O-N 3.21Å; G106-G113 CarbonylContact O-C 3.55Å; G106-G113 VanDerWaalsContact O-C 3.25Å; G106-G113 WeakPolarHBondContact O-CA 3.46Å; G106-F114 PolarHBondContact O-N 2.92Å
107G76.8Confident74.3Confident23 Ų2365.8 Ų65.824%0.23739%0.389CS..  trans154.1160.3175.600000112.4L13 V105L13-G107 PolarHBondContact O-N 3.4Å; V105-G107 VanDerWaalsContact C-N 3.33Å; V105-G107 PolarHBondContact O-N 3.41Å
108A71.9Confident75.1Confident13 Ų1365.7 Ų65.711%0.10739%0.389CS..  trans-155149.7177.100000112.4L13 W16 F104 G110 Q111L13-A108 HydrophobicContact CD2-CB 4.15Å; W16-A108 HydrophobicContact CB-CB 4.22Å; W16-A108 HydrophobicContact CD2-CB 3.78Å; W16-A108 HydrophobicContact CE3-CB 3.12Å; W16-A108 HydrophobicContact CG-CB 4.26Å; W16-A108 HydrophobicContact CZ3-CB 3.65Å; F104-A108 HydrophobicContact CB-CB 3.99Å; F104-A108 HydrophobicContact CD1-CB 4.19Å; F104-A108 HydrophobicContact CG-CB 4Å; A108-G110 PolarHBondContact O-N 3.06Å; A108-Q111 PolarHBondContact O-N 3.16Å
109G62.4Low76.1Confident78 Ų7866.4 Ų66.480%0.80439%0.388SS*.THydrogen-bonded Turntrans5739.6163.600000116.1Q111G109-Q111 PolarHBondContact O-N 2.81Å
110G60.8Low76.9Confident90 Ų9066.4 Ų66.493%0.92839%0.393SS*.THydrogen-bonded Turntrans73.26.9177.500000115.6A108A108-G110 PolarHBondContact O-N 3.06Å
111Q66.4Low77.8Confident114 Ų11458 Ų5853%0.53336%0.361SS..SBendtrans-78.9160.3172.3-58.8-145-20.100111.9A108 G109 G113A108-Q111 PolarHBondContact O-N 3.16Å; G109-Q111 PolarHBondContact O-N 2.81Å; Q111-G113 PolarHBondContact O-N 3.23Å
112Q67.2Low78.6Confident156 Ų15664.3 Ų64.373%0.72938%0.378SS*.  trans-58.3109.5170.8-75.8-179.2-14.700109.7L13L13-Q112 PolarHBondContact N-O 2.93Å; L13-Q112 VanDerWaalsContact N-O 3.15Å
113G74.3Confident78.9Confident33 Ų3360 Ų6034%0.3436%0.359SS..BIsolated β-bridgetrans-81.2156.4178.900000112.2A12 G106 Q111 L115A12-G113 WeakPolarHBondContact CB-O 3.01Å; G106-G113 CarbonylContact O-C 3.55Å; G106-G113 VanDerWaalsContact O-C 3.25Å; G106-G113 WeakPolarHBondContact O-CA 3.46Å; Q111-G113 PolarHBondContact O-N 3.23Å; G113-L115 PolarHBondContact O-N 3.34Å
114F80.7Confident79Confident23 Ų2365 Ų6510%0.10139%0.386CS..  trans-57.5128.5173.2175.6-99.3000111.9A3 P5 A12 L13 L14 G106 G116 I118A3-F114 HydrophobicContact CB-CE2 4.5Å; A3-F114 HydrophobicContact CB-CZ 4.06Å; P5-F114 HydrophobicContact CB-CE2 3.81Å; P5-F114 HydrophobicContact CB-CZ 4.28Å; P5-F114 HydrophobicContact CG-CE2 3.98Å; P5-F114 HydrophobicContact CG-CZ 4.38Å; A12-F114 VanDerWaalsContact CB-CA 3.48Å; A12-F114 HydrophobicContact CB-CB 4.32Å; L13-F114 WeakPolarHBondContact O-CB 3.28Å; L13-F114 PolarHBondContact O-N 2.02Å; L14-F114 HydrophobicContact CD1-CB 3.99Å; L14-F114 HydrophobicContact CD1-CD1 3.67Å; L14-F114 HydrophobicContact CD1-CD2 3.32Å; L14-F114 HydrophobicContact CD1-CE1 3.87Å; L14-F114 HydrophobicContact CD1-CE2 3.54Å; L14-F114 HydrophobicContact CD1-CG 3.38Å; L14-F114 HydrophobicContact CD1-CZ 3.81Å; G106-F114 PolarHBondContact O-N 2.92Å; F114-G116 VanDerWaalsContact CE1-C 3.46Å; F114-I118 HydrophobicContact CD1-CD1 3.87Å; F114-I118 HydrophobicContact CD1-CG1 3.98Å; F114-I118 HydrophobicContact CE1-CD1 4.03Å; F114-I118 HydrophobicContact CE1-CG1 3.6Å; F114-I118 HydrophobicContact CZ-CG1 4.38Å
115L78.6Confident79.1Confident50 Ų5065.1 Ų65.126%0.26241%0.407SS..  trans-111.1116.8170-167.371000111.2R6 C9 G113 Y165R6-L115 HydrophobicContact CB-CG 4.45Å; R6-L115 WeakPolarHBondContact CB-O 3.31Å; R6-L115 PolarHBondContact N-O 2.93Å; C9-L115 VanDerWaalsContact SG-CD2 3.53Å; G113-L115 PolarHBondContact O-N 3.34Å; L115-Y165 HydrophobicContact CD1-CD2 3.21Å; L115-Y165 HydrophobicContact CD1-CE2 3.26Å; L115-Y165 HydrophobicContact CD1-CG 4.34Å; L115-Y165 HydrophobicContact CD2-CD2 3.65Å; L115-Y165 HydrophobicContact CD2-CE2 4.45Å; L115-Y165 HydrophobicContact CD2-CG 4.09Å; L115-Y165 HydrophobicContact CG-CD2 4.06Å; L115-Y165 HydrophobicContact CG-CE2 4.5Å
116G80.7Confident79.3Confident36 Ų3668.1 Ų68.137%0.37143%0.425SS..EExtended strand (participates in β ladder)trans154.8-159.7-178.100000110.8A4 F114A4-G116 CarbonylContact O-C 3.52Å; A4-G116 WeakPolarHBondContact O-CA 3.05Å; F114-G116 VanDerWaalsContact CE1-C 3.46Å
117C83.8Confident79.8Confident34 Ų3471.6 Ų71.623%0.2344%0.444CS..EExtended strand (participates in β ladder)trans-108146.7177-60.70000112.2A3 A4 W63 C144A3-C117 CarbonylContact C-O 3.54Å; A3-C117 VanDerWaalsContact CA-O 3.22Å; A3-C117 WeakPolarHBondContact CA-O 3.16Å; A4-C117 HydrophobicContact CB-CB 4.27Å; A4-C117 PolarHBondContact N-O 3.14Å; A4-C117 PolarHBondContact O-N 2.68Å; W63-C117 HydrophobicContact CH2-CB 3.48Å; W63-C117 VanDerWaalsContact CH2-CB 3.48Å; W63-C117 HydrophobicContact CZ2-CB 4.06Å; W63-C117 HydrophobicContact CZ3-CB 4.07Å; C117-C144 HydrophobicContact CB-CB 3.62Å; C117-C144 WeakPolarHBondContact CB-SG 3.49Å; C117-C144 WeakPolarHBondContact SG-CB 3.35Å; C117-C144 CovalentContact SG-SG 2.01Å; C117-C144 PolarHBondContact SG-SG 3.05Å
118I87.5Confident80.3Confident37 Ų3773.3 Ų73.319%0.1945%0.448CS..EExtended strand (participates in β ladder)trans-127.6134.1172.1-57174.1000108Q2 L14 V105 F114 L130Q2-I118 WeakPolarHBondContact O-CA 3.48Å; L14-I118 HydrophobicContact CD1-CD1 3.58Å; L14-I118 HydrophobicContact CD1-CG1 3.99Å; L14-I118 HydrophobicContact CG-CD1 4Å; V105-I118 HydrophobicContact CG1-CD1 3.72Å; F114-I118 HydrophobicContact CD1-CD1 3.87Å; F114-I118 HydrophobicContact CD1-CG1 3.98Å; F114-I118 HydrophobicContact CE1-CD1 4.03Å; F114-I118 HydrophobicContact CE1-CG1 3.6Å; F114-I118 HydrophobicContact CZ-CG1 4.38Å; I118-L130 HydrophobicContact CB-CD1 4.11Å; I118-L130 HydrophobicContact CG2-CD1 3.65Å
119R87.3Confident81.1Confident109 Ų10977.4 Ų77.441%0.41147%0.468SS..EExtended strand (participates in β ladder)trans-139.7163.5172.874.9-178.5178.1-178.7-3.4112Q2 W63 L121Q2-R119 HydrophobicContact CB-CG 3.9Å; Q2-R119 PolarHBondContact N-O 3.33Å; Q2-R119 PolarHBondContact O-N 3.47Å; W63-R119 HydrophobicContact CE3-CG 4.01Å; W63-R119 HydrophobicContact CH2-CB 3.85Å; W63-R119 HydrophobicContact CH2-CG 3.62Å; W63-R119 HydrophobicContact CZ2-CG 4.25Å; W63-R119 HydrophobicContact CZ3-CB 4.04Å; W63-R119 HydrophobicContact CZ3-CG 3.5Å; R119-L121 PolarHBondContact O-N 3.48Å; R119-L121 VanDerWaalsContact O-N 3.15Å
120S87.7Confident82.3Confident70 Ų7075.9 Ų75.949%0.4944%0.441SS..  trans51.841.4174.7-48.60000112.1M1 R122M1-S120 WeakPolarHBondContact CA-O 3.43Å; S120-R122 PolarHBondContact O-N 3.06Å
121L88.8Confident83.5Confident6 Ų676.8 Ų76.83%0.03142%0.421CS..  trans-69121.3174.6-179.661.2000108.4M1 L15 V105 R119 L128 L130M1-L121 HydrophobicContact CB-CB 4.49Å; M1-L121 HydrophobicContact CB-CD1 3.78Å; M1-L121 HydrophobicContact CG-CD1 4.42Å; M1-L121 HydrophobicContact SD-CD1 3.79Å; L15-L121 HydrophobicContact CD1-CD2 4.19Å; V105-L121 HydrophobicContact CG1-CD2 4.32Å; V105-L121 HydrophobicContact CG2-CD2 3.87Å; R119-L121 PolarHBondContact O-N 3.48Å; R119-L121 VanDerWaalsContact O-N 3.15Å; L121-L128 HydrophobicContact CD2-CD1 3.9Å; L121-L128 HydrophobicContact CG-CD1 4.23Å; L121-L128 PolarHBondContact O-N 2.85Å; L121-L130 HydrophobicContact CB-CD1 3.83Å; L121-L130 HydrophobicContact CB-CG 4.33Å; L121-L130 HydrophobicContact CD2-CD1 4.13Å; L121-L130 HydrophobicContact CD2-CD2 4.03Å; L121-L130 HydrophobicContact CD2-CG 4.41Å
122R88.8Confident84.4Confident172 Ų17276.7 Ų76.765%0.64942%0.421SS*.EExtended strand (participates in β ladder)trans-125133.3176.8-64.4-174178.5178.92.1108.7S120 V126 T127S120-R122 PolarHBondContact O-N 3.06Å; R122-V126 CarbonylContact C-O 3.55Å; R122-V126 VanDerWaalsContact CA-O 3.22Å; R122-V126 WeakPolarHBondContact CA-O 3.34Å; R122-T127 HydrophobicContact CG-CG2 4.47Å; R122-T127 PolarHBondContact NE-OG1 3.38Å
123M86.4Confident85.4Confident55 Ų5577 Ų7727%0.27142%0.415SS..EExtended strand (participates in β ladder)trans-127.2124.1174.5-164.2-171.5-32.500108.8I17 L103 G125 V126 L128I17-M123 HydrophobicContact CD1-SD 4.42Å; L103-M123 HydrophobicContact CB-CE 4.38Å; L103-M123 HydrophobicContact CD1-CE 3.52Å; L103-M123 HydrophobicContact CD2-CE 3.24Å; L103-M123 HydrophobicContact CG-CE 3.86Å; M123-G125 PolarHBondContact O-N 2.83Å; M123-G125 VanDerWaalsContact O-N 3.12Å; M123-V126 PolarHBondContact N-O 2.9Å; M123-V126 WeakPolarHBondContact O-CB 3.29Å; M123-V126 PolarHBondContact O-N 3.38Å; M123-L128 HydrophobicContact CE-CD1 3.89Å
124N83.7Confident85.8Confident158 Ų15875.9 Ų75.985%0.84540%0.403SS*.THydrogen-bonded Turntrans4939.7-178.7-61.3-20.6000113.6V126N124-V126 VanDerWaalsContact C-N 3.26Å; N124-V126 PolarHBondContact O-N 3.4Å
125G84.5Confident86Confident71 Ų7180.6 Ų80.673%0.73242%0.423SS*.THydrogen-bonded Turntrans83-14.3-178.500000115.4M123M123-G125 PolarHBondContact O-N 2.83Å; M123-G125 VanDerWaalsContact O-N 3.12Å
126V89.2Confident86.3Confident95 Ų9583.2 Ų83.258%0.57644%0.441SS*.EExtended strand (participates in β ladder)trans-85.4129.6177.2-176.70000109.9R122 M123 N124R122-V126 CarbonylContact C-O 3.55Å; R122-V126 VanDerWaalsContact CA-O 3.22Å; R122-V126 WeakPolarHBondContact CA-O 3.34Å; M123-V126 PolarHBondContact N-O 2.9Å; M123-V126 WeakPolarHBondContact O-CB 3.29Å; M123-V126 PolarHBondContact O-N 3.38Å; N124-V126 VanDerWaalsContact C-N 3.26Å; N124-V126 PolarHBondContact O-N 3.4Å
127T87.6Confident86.4Confident81 Ų8183.4 Ų83.450%0.49744%0.435SS..EExtended strand (participates in β ladder)trans-84.6128.3173.5-56.70000109.1R122R122-T127 HydrophobicContact CG-CG2 4.47Å; R122-T127 PolarHBondContact NE-OG1 3.38Å
128L88.6Confident86.2Confident58 Ų5887.4 Ų87.430%0.30446%0.463SS..PPolyproline II helixtrans-94.9129.3177.3-61.3179.4000109.8L103 L121 M123 L130L103-L128 HydrophobicContact CD2-CD1 3.39Å; L121-L128 HydrophobicContact CD2-CD1 3.9Å; L121-L128 HydrophobicContact CG-CD1 4.23Å; L121-L128 PolarHBondContact O-N 2.85Å; M123-L128 HydrophobicContact CE-CD1 3.89Å; L128-L130 PolarHBondContact O-N 3.07Å; L128-L130 VanDerWaalsContact O-N 3.17Å
129D87.6Confident85.6Confident100 Ų10088.8 Ų88.854%0.53549%0.487SS..  trans-80.394.5175-166.5-23000110.2E131 E132D129-E131 VanDerWaalsContact C-N 3.3Å; D129-E131 WeakPolarHBondContact OD1-CB 3.27Å; D129-E131 PolarHBondContact OD1-N 2.84Å; D129-E132 PolarHBondContact OD1-N 2.91Å; D129-E132 VanDerWaalsContact OD1-N 3.1Å
130L87.6Confident85.3Confident46 Ų4688.7 Ų88.724%0.24149%0.49CS..Hα-helixtrans-76.3-20.4176-64.1-178.7000112.4V105 I118 L121 L128 A134V105-L130 HydrophobicContact CG1-CD1 4.48Å; V105-L130 HydrophobicContact CG1-CD2 4.31Å; V105-L130 HydrophobicContact CG2-CD2 4.2Å; I118-L130 HydrophobicContact CB-CD1 4.11Å; I118-L130 HydrophobicContact CG2-CD1 3.65Å; L121-L130 HydrophobicContact CB-CD1 3.83Å; L121-L130 HydrophobicContact CB-CG 4.33Å; L121-L130 HydrophobicContact CD2-CD1 4.13Å; L121-L130 HydrophobicContact CD2-CD2 4.03Å; L121-L130 HydrophobicContact CD2-CG 4.41Å; L128-L130 PolarHBondContact O-N 3.07Å; L128-L130 VanDerWaalsContact O-N 3.17Å; L130-A134 VanDerWaalsContact O-CB 3.28Å; L130-A134 WeakPolarHBondContact O-CB 3.18Å; L130-A134 PolarHBondContact O-N 2.94Å
131E85.7Confident84.9Confident109 Ų10992.1 Ų92.151%0.50950%0.501SS..Hα-helixtrans-74.3-49.6-174.1-170.5-178.6162.200110.8D129 R133 A134 K135D129-E131 VanDerWaalsContact C-N 3.3Å; D129-E131 WeakPolarHBondContact OD1-CB 3.27Å; D129-E131 PolarHBondContact OD1-N 2.84Å; E131-R133 PolarHBondContact O-N 2.71Å; E131-A134 PolarHBondContact O-N 3.31Å; E131-K135 WeakPolarHBondContact O-CG 3.35Å; E131-K135 PolarHBondContact O-N 3.04Å
132E86.7Confident84.5Confident112 Ų11294.4 Ų94.452%0.52352%0.518SS..Hα-helixtrans-56.2-41.7172-81-73114.900111.2D129 K135D129-E132 PolarHBondContact OD1-N 2.91Å; D129-E132 VanDerWaalsContact OD1-N 3.1Å; E132-K135 PolarHBondContact O-N 3.47Å; E132-K135 IonicContact OE1-NZ 2.74Å; E132-K135 PolarHBondContact OE1-NZ 3.3Å
133R86.9Confident83.9Confident162 Ų16288.9 Ų88.961%0.61152%0.515SS*.Hα-helixtrans-69-35.7179.4-170.356.7174.9151.30.7112.7E131 K135 V136 T137E131-R133 PolarHBondContact O-N 2.71Å; R133-K135 VanDerWaalsContact C-N 3.34Å; R133-V136 WeakPolarHBondContact O-CG2 3.45Å; R133-V136 PolarHBondContact O-N 3.34Å; R133-T137 WeakPolarHBondContact O-CB 3.35Å; R133-T137 PolarHBondContact O-N 3.14Å; R133-T137 PolarHBondContact O-OG1 2.98Å
134A84.4Confident83.4Confident10 Ų1089.2 Ų89.28%0.08352%0.521CS..Hα-helixtrans-63.8-37.9177.500000112.1L130 E131 V136 T137 F140L130-A134 VanDerWaalsContact O-CB 3.28Å; L130-A134 WeakPolarHBondContact O-CB 3.18Å; L130-A134 PolarHBondContact O-N 2.94Å; E131-A134 PolarHBondContact O-N 3.31Å; A134-V136 PolarHBondContact O-N 3.01Å; A134-T137 PolarHBondContact O-N 3.46Å; A134-F140 HydrophobicContact CB-CB 3.81Å
135K83.9Confident82.8Confident121 Ų12186.1 Ų86.153%0.52651%0.512SS..Hα-helixtrans-59.5-29.6-179.7-67.1171.9-167.6167.60113.9E131 E132 R133E131-K135 WeakPolarHBondContact O-CG 3.35Å; E131-K135 PolarHBondContact O-N 3.04Å; E132-K135 PolarHBondContact O-N 3.47Å; E132-K135 IonicContact OE1-NZ 2.74Å; E132-K135 PolarHBondContact OE1-NZ 3.3Å; R133-K135 VanDerWaalsContact C-N 3.34Å
136V85.5Confident82.1Confident106 Ų10684 Ų8464%0.64249%0.49SS*.THydrogen-bonded Turntrans-105.1-0-175.9-60.10000113.6R133 A134R133-V136 WeakPolarHBondContact O-CG2 3.45Å; R133-V136 PolarHBondContact O-N 3.34Å; A134-V136 PolarHBondContact O-N 3.01Å
137T82Confident81.4Confident40 Ų4082.2 Ų82.225%0.24548%0.475CS..SBendtrans-115.4119.7-175.7-50.30000109.8R133 A134 G139 F140R133-T137 WeakPolarHBondContact O-CB 3.35Å; R133-T137 PolarHBondContact O-N 3.14Å; R133-T137 PolarHBondContact O-OG1 2.98Å; A134-T137 PolarHBondContact O-N 3.46Å; T137-G139 PolarHBondContact O-N 2.96Å; T137-F140 HydrophobicContact CG2-CD2 3.61Å; T137-F140 HydrophobicContact CG2-CE2 3.89Å; T137-F140 PolarHBondContact O-N 3.26Å
138S79.6Confident81.3Confident117 Ų11779.9 Ų79.982%0.81846%0.462SS*.THydrogen-bonded Turntrans-58.9137.2177.457.20000111.9
139G76.1Confident80.9Confident67 Ų6782.4 Ų82.469%0.69148%0.48SS*.THydrogen-bonded Turntrans88.4-2.3179.600000114.8T137T137-G139 PolarHBondContact O-N 2.96Å
140F79.3Confident80.6Confident107 Ų10781.3 Ų81.347%0.46948%0.48SS..  trans-113146.7172-65.8-94.6000110.2A134 T137A134-F140 HydrophobicContact CB-CB 3.81Å; T137-F140 HydrophobicContact CG2-CD2 3.61Å; T137-F140 HydrophobicContact CG2-CE2 3.89Å; T137-F140 PolarHBondContact O-N 3.26Å
141I79.1Confident80.4Confident141 Ų14184.7 Ų84.772%0.72349%0.49SS*.  trans-126.1135.2177.7-56.4173.9000107.5
142S80.8Confident80.3Confident54 Ų5480.3 Ų80.338%0.37848%0.475SS..SBendtrans-70.8132173.555.40000110.3
143G77.4Confident80.5Confident57 Ų5780.8 Ų80.859%0.58849%0.486SS*.SBendtrans89.9148.6-175.900000112.8
144C74.5Confident80.8Confident61 Ų6176.3 Ų76.341%0.41247%0.474SS..  trans-116.476.2176.8-179.40000108.7W63 C117W63-C144 HydrophobicContact CH2-CB 4.3Å; W63-C144 HydrophobicContact CZ2-CB 3.98Å; C117-C144 HydrophobicContact CB-CB 3.62Å; C117-C144 WeakPolarHBondContact CB-SG 3.49Å; C117-C144 WeakPolarHBondContact SG-CB 3.35Å; C117-C144 CovalentContact SG-SG 2.01Å; C117-C144 PolarHBondContact SG-SG 3.05Å
145S71.5Confident81.3Confident94 Ų9476.4 Ų76.466%0.65747%0.474SS*.  trans-116.4117.3172.5-54.10000106.9
146G70Confident81.8Confident25 Ų2575.4 Ų75.426%0.25847%0.471SS..  trans-62.7147.7174.400000110.4C148 T149 E163G146-C148 PolarHBondContact O-N 3.1Å; G146-T149 PolarHBondContact O-N 3.25Å; G146-T149 VanDerWaalsContact O-N 3.16Å; G146-T149 PolarHBondContact O-OG1 3.44Å; G146-E163 WeakPolarHBondContact CA-OE2 3.26Å
147H75.6Confident82.2Confident58 Ų5873 Ų7327%0.26945%0.454SS..Hα-helixtrans-58.7-31.3174-68.5-78.1000112.3T149 S150 Y151 E163 G167 Y168H147-T149 VanDerWaalsContact C-N 3.28Å; H147-T149 PolarHBondContact O-N 3.25Å; H147-S150 PolarHBondContact O-N 2.88Å; H147-Y151 HydrophobicContact CB-CD2 4.09Å; H147-Y151 AromaticContact ND1-CD2 3.93Å; H147-Y151 AromaticContact ND1-CE2 3.83Å; H147-Y151 WeakPolarHBondContact O-CA 3.36Å; H147-Y151 WeakPolarHBondContact O-CB 3.43Å; H147-Y151 WeakPolarHBondContact O-CD2 3.32Å; H147-Y151 PolarHBondContact O-N 2.78Å; H147-E163 WeakPolarHBondContact CB-OE1 3.49Å; H147-E163 IonicContact CD2-OE1 3.35Å; H147-E163 PolarHBondContact CD2-OE1 2.96Å; H147-E163 IonicContact CG-OE1 3.45Å; H147-E163 PolarHBondContact N-OE1 3.5Å; H147-E163 PolarHBondContact N-OE2 3.21Å; H147-G167 VanDerWaalsContact CD2-C 3.47Å; H147-G167 WeakPolarHBondContact CD2-CA 3.41Å; H147-G167 PolarHBondContact CD2-N 2.85Å; H147-G167 PolarHBondContact CD2-O 2.74Å; H147-G167 WeakPolarHBondContact NE2-CA 3.39Å; H147-G167 PolarHBondContact NE2-N 3.38Å; H147-Y168 HydrophobicContact CB-CD1 4Å; H147-Y168 HydrophobicContact CB-CG 4.34Å
148C83.6Confident82.6Confident32 Ų3274.4 Ų74.422%0.21648%0.477CS..Hα-helixtrans-67.9-22.7178.4-73.60000114.2G146 G152 C161 E163G146-C148 PolarHBondContact O-N 3.1Å; C148-G152 WeakPolarHBondContact O-CA 3.47Å; C148-G152 PolarHBondContact O-N 3.38Å; C148-C161 WeakPolarHBondContact CA-SG 3.41Å; C148-C161 HydrophobicContact CB-CB 3.75Å; C148-C161 WeakPolarHBondContact CB-SG 3.26Å; C148-C161 WeakPolarHBondContact SG-CB 3.3Å; C148-C161 CovalentContact SG-SG 2.04Å; C148-C161 PolarHBondContact SG-SG 3.08Å; C148-E163 WeakPolarHBondContact CB-OE2 3.41Å; C148-E163 PolarHBondContact N-OE2 3.27Å
149T81.8Confident83.3Confident112 Ų11269.4 Ų69.469%0.68744%0.444SS*.Hα-helixtrans-75.1-32174.960.70000112G146 H147G146-T149 PolarHBondContact O-N 3.25Å; G146-T149 VanDerWaalsContact O-N 3.16Å; G146-T149 PolarHBondContact O-OG1 3.44Å; H147-T149 VanDerWaalsContact C-N 3.28Å; H147-T149 PolarHBondContact O-N 3.25Å
150S80Confident84.1Confident77 Ų7773 Ų7354%0.53844%0.441SS..Hα-helixtrans-94.8-36.2-180-57.60000113.8H147H147-S150 PolarHBondContact O-N 2.88Å
151Y84.1Confident84.7Confident116 Ų11669.3 Ų69.346%0.45543%0.428SS..Hα-helixtrans-116.81.1-172.3-53.6-71.2000113.1H147 T153 N154 Y168H147-Y151 HydrophobicContact CB-CD2 4.09Å; H147-Y151 AromaticContact ND1-CD2 3.93Å; H147-Y151 AromaticContact ND1-CE2 3.83Å; H147-Y151 WeakPolarHBondContact O-CA 3.36Å; H147-Y151 WeakPolarHBondContact O-CB 3.43Å; H147-Y151 WeakPolarHBondContact O-CD2 3.32Å; H147-Y151 PolarHBondContact O-N 2.78Å; Y151-T153 PolarHBondContact O-N 2.9Å; Y151-N154 WeakPolarHBondContact O-CB 3.44Å; Y151-N154 PolarHBondContact O-N 2.85Å; Y151-Y168 HydrophobicContact CD2-CD1 4.39Å; Y151-Y168 HydrophobicContact CD2-CE1 4.31Å; Y151-Y168 HydrophobicContact CG-CD1 4.36Å; Y151-Y168 AromaticContact CG-CE1 3.9Å; Y151-Y168 HydrophobicContact CG-CE1 3.9Å
152G84.5Confident85Confident17 Ų1765 Ų6518%0.17541%0.406CS..G310 helixtrans-60.9-27.1-179.700000113.7C148 N154 C155C148-G152 WeakPolarHBondContact O-CA 3.47Å; C148-G152 PolarHBondContact O-N 3.38Å; G152-N154 PolarHBondContact O-N 3.49Å; G152-C155 WeakPolarHBondContact O-CB 3.47Å; G152-C155 PolarHBondContact O-N 2.98Å
153T90.2Very high84.8Confident123 Ų12364.8 Ų64.876%0.75540%0.399SS*.G310 helixtrans-65.2-14.7173.353.10000113.6Y151Y151-T153 PolarHBondContact O-N 2.9Å
154N93.3Very high84.4Confident67 Ų6768.5 Ų68.536%0.35840%0.395SS..G310 helixtrans-76.9-13.3174.5-60.9-1.2000111.8Y151 G152 E156 Y168 F181Y151-N154 WeakPolarHBondContact O-CB 3.44Å; Y151-N154 PolarHBondContact O-N 2.85Å; G152-N154 PolarHBondContact O-N 3.49Å; N154-E156 PolarHBondContact O-N 2.85Å; N154-Y168 HydrophobicContact CB-CE2 4.21Å; N154-Y168 VanDerWaalsContact CB-OH 3.26Å; N154-Y168 WeakPolarHBondContact CB-OH 3.42Å; N154-Y168 PolarHBondContact ND2-OH 2.96Å; N154-F181 HydrophobicContact CB-CD1 4.39Å; N154-F181 WeakPolarHBondContact O-CB 3.29Å
155C94.8Very high83.8Confident13 Ų1371.6 Ų71.69%0.08840%0.399CS..SBendtrans-78.1102.4168.5-60.10000108.9G152 G159 C170G152-C155 WeakPolarHBondContact O-CB 3.47Å; G152-C155 PolarHBondContact O-N 2.98Å; C155-G159 WeakPolarHBondContact CB-O 3.32Å; C155-C170 WeakPolarHBondContact CA-SG 3.4Å; C155-C170 HydrophobicContact CB-CB 3.74Å; C155-C170 WeakPolarHBondContact CB-SG 3.47Å; C155-C170 VanDerWaalsContact SG-CA 3.53Å; C155-C170 WeakPolarHBondContact SG-CB 3.28Å; C155-C170 CovalentContact SG-SG 2.03Å; C155-C170 PolarHBondContact SG-SG 2.9Å
156E93.9Very high83.5Confident99 Ų9974.3 Ų74.346%0.46340%0.401SS..  trans-79.4171.2-176.5-62.8-175.9-165.200111.8N154 G158 G159 F181 C182N154-E156 PolarHBondContact O-N 2.85Å; E156-G158 PolarHBondContact O-N 2.73Å; E156-G159 PolarHBondContact O-N 3.45Å; E156-F181 PolarHBondContact N-O 2.84Å; E156-C182 WeakPolarHBondContact O-CB 3.49Å
157N93.8Very high83.7Confident55 Ų5573.9 Ų73.929%0.29440%0.397SS..THydrogen-bonded Turntrans5333.8167.3-57.9-51.8000115.9G159 T175 Y177 C182N157-G159 VanDerWaalsContact C-N 3.33Å; N157-T175 WeakPolarHBondContact O-CG2 3.39Å; N157-Y177 HydrophobicContact CB-CD1 4.2Å; N157-Y177 HydrophobicContact CB-CD2 3.37Å; N157-Y177 HydrophobicContact CB-CE1 4.21Å; N157-Y177 HydrophobicContact CB-CE2 3.44Å; N157-Y177 VanDerWaalsContact CB-CE2 3.44Å; N157-Y177 HydrophobicContact CB-CG 3.79Å; N157-Y177 WeakPolarHBondContact ND2-CD1 3.23Å; N157-C182 PolarHBondContact ND2-O 3.42Å
158G91.8Very high84.1Confident70 Ų7073.6 Ų73.672%0.72239%0.394SS*.THydrogen-bonded Turntrans78.913.1179.600000114.4E156E156-G158 PolarHBondContact O-N 2.73Å
159G93.9Very high84.4Confident13 Ų1373.8 Ų73.813%0.13440%0.395CS..PPolyproline II helixtrans-61.5138.8172.600000112.1C155 E156 N157 D171C155-G159 WeakPolarHBondContact CB-O 3.32Å; E156-G159 PolarHBondContact O-N 3.45Å; N157-G159 VanDerWaalsContact C-N 3.33Å; G159-D171 WeakPolarHBondContact CA-O 3.4Å
160K93.3Very high85Confident143 Ų14369.3 Ų69.362%0.62237%0.368SS*.EExtended strand (participates in β ladder)trans-88.3122.2179.2-176.9-179.5179.5-177.50109.9L162 D171K160-L162 HydrophobicContact CD-CD2 4.28Å; K160-L162 HydrophobicContact CG-CD2 4.29Å; K160-L162 PolarHBondContact O-N 2.89Å; K160-D171 HydrophobicContact CB-CB 4.29Å; K160-D171 PolarHBondContact N-O 2.93Å; K160-D171 PolarHBondContact O-N 2.86Å
161C90.3Very high85.6Confident29 Ų2967.9 Ų67.920%0.19636%0.355CS..EExtended strand (participates in β ladder)trans-68.3128.3173.2-170.90000111C148C148-C161 WeakPolarHBondContact CA-SG 3.41Å; C148-C161 HydrophobicContact CB-CB 3.75Å; C148-C161 WeakPolarHBondContact CB-SG 3.26Å; C148-C161 WeakPolarHBondContact SG-CB 3.3Å; C148-C161 CovalentContact SG-SG 2.04Å; C148-C161 PolarHBondContact SG-SG 3.08Å
162L85.4Confident86.2Confident49 Ų4962.9 Ų62.926%0.25734%0.337SS..EExtended strand (participates in β ladder)trans-114.2124.5174.6-57-174.7000109.8K160 Y168 S169 D171K160-L162 HydrophobicContact CD-CD2 4.28Å; K160-L162 HydrophobicContact CG-CD2 4.29Å; K160-L162 PolarHBondContact O-N 2.89Å; L162-Y168 CarbonylContact O-C 3.31Å; L162-Y168 WeakPolarHBondContact O-CA 3.5Å; L162-S169 WeakPolarHBondContact CA-O 3.46Å; L162-S169 WeakPolarHBondContact CB-O 3.15Å; L162-S169 PolarHBondContact N-O 3.28Å; L162-S169 PolarHBondContact O-N 2.68Å; L162-D171 HydrophobicContact CD1-CB 3.75Å; L162-D171 HydrophobicContact CD2-CB 4.38Å; L162-D171 HydrophobicContact CG-CB 3.89Å
163E76.8Confident86.5Confident50 Ų5066.1 Ų66.123%0.23436%0.356CS..EExtended strand (participates in β ladder)trans-70.7127.8-179.9-155.841.4-101.400109.6R6 G146 H147 C148R6-E163 IonicContact CZ-OE1 3.95Å; R6-E163 IonicContact NH2-OE1 2.73Å; R6-E163 PolarHBondContact NH2-OE1 3.44Å; G146-E163 WeakPolarHBondContact CA-OE2 3.26Å; H147-E163 WeakPolarHBondContact CB-OE1 3.49Å; H147-E163 IonicContact CD2-OE1 3.35Å; H147-E163 PolarHBondContact CD2-OE1 2.96Å; H147-E163 IonicContact CG-OE1 3.45Å; H147-E163 PolarHBondContact N-OE1 3.5Å; H147-E163 PolarHBondContact N-OE2 3.21Å; C148-E163 WeakPolarHBondContact CB-OE2 3.41Å; C148-E163 PolarHBondContact N-OE2 3.27Å
164R69.7Low86.4Confident135 Ų13565.2 Ų65.251%0.50935%0.347SS..  trans-126.7150.1-178.7-62.9-63.5-170.7176.80.9112.8R6 H166 G167 S169R6-R164 PolarHBondContact NH1-O 3.23Å; R6-R164 PolarHBondContact NH2-O 2.86Å; R164-H166 CarbonylContact O-C 3.16Å; R164-H166 PolarHBondContact O-N 3.21Å; R164-G167 CarbonylContact C-O 3.38Å; R164-G167 PolarHBondContact N-O 2.96Å; R164-G167 CarbonylContact O-C 3.31Å; R164-G167 PolarHBondContact O-N 3.44Å; R164-S169 PolarHBondContact NE-OG 2.9Å
165Y61.7Low86.5Confident126 Ų12662.2 Ų62.249%0.49433%0.331SS..SBendtrans-38-52.4-175.9173.6-136000113.6R6 L115R6-Y165 PolarHBondContact NH1-O 2.86Å; L115-Y165 HydrophobicContact CD1-CD2 3.21Å; L115-Y165 HydrophobicContact CD1-CE2 3.26Å; L115-Y165 HydrophobicContact CD1-CG 4.34Å; L115-Y165 HydrophobicContact CD2-CD2 3.65Å; L115-Y165 HydrophobicContact CD2-CE2 4.45Å; L115-Y165 HydrophobicContact CD2-CG 4.09Å; L115-Y165 HydrophobicContact CG-CD2 4.06Å; L115-Y165 HydrophobicContact CG-CE2 4.5Å
166H65.1Low86.5Confident152 Ų15261.7 Ų61.770%0.70433%0.328SS*.SBendtrans-112.991.9169.8-66.1-63.9000110.2R164R164-H166 CarbonylContact O-C 3.16Å; R164-H166 PolarHBondContact O-N 3.21Å
167G74.2Confident86.6Confident16 Ų1657.8 Ų57.817%0.16531%0.309CS..SBendtrans99.2-144.1175.100000114.7H147 R164H147-G167 VanDerWaalsContact CD2-C 3.47Å; H147-G167 WeakPolarHBondContact CD2-CA 3.41Å; H147-G167 PolarHBondContact CD2-N 2.85Å; H147-G167 PolarHBondContact CD2-O 2.74Å; H147-G167 WeakPolarHBondContact NE2-CA 3.39Å; H147-G167 PolarHBondContact NE2-N 3.38Å; R164-G167 CarbonylContact C-O 3.38Å; R164-G167 PolarHBondContact N-O 2.96Å; R164-G167 CarbonylContact O-C 3.31Å; R164-G167 PolarHBondContact O-N 3.44Å
168Y84.3Confident86.6Confident52 Ų5256.6 Ų56.620%0.20430%0.302CS..EExtended strand (participates in β ladder)trans-142.5164.4-178.968.8-76.5000109.9H147 Y151 N154 L162 F181H147-Y168 HydrophobicContact CB-CD1 4Å; H147-Y168 HydrophobicContact CB-CG 4.34Å; Y151-Y168 HydrophobicContact CD2-CD1 4.39Å; Y151-Y168 HydrophobicContact CD2-CE1 4.31Å; Y151-Y168 HydrophobicContact CG-CD1 4.36Å; Y151-Y168 AromaticContact CG-CE1 3.9Å; Y151-Y168 HydrophobicContact CG-CE1 3.9Å; N154-Y168 HydrophobicContact CB-CE2 4.21Å; N154-Y168 VanDerWaalsContact CB-OH 3.26Å; N154-Y168 WeakPolarHBondContact CB-OH 3.42Å; N154-Y168 PolarHBondContact ND2-OH 2.96Å; L162-Y168 CarbonylContact O-C 3.31Å; L162-Y168 WeakPolarHBondContact O-CA 3.5Å; Y168-F181 HydrophobicContact CE2-CD1 4.22Å; Y168-F181 AromaticContact CE2-CE1 3.9Å; Y168-F181 HydrophobicContact CE2-CE1 3.9Å; Y168-F181 AromaticContact CZ-CE1 3.78Å; Y168-F181 WeakPolarHBondContact OH-CE1 3.42Å
169S89.6Confident86.6Confident35 Ų3555.1 Ų55.125%0.24529%0.287CS..EExtended strand (participates in β ladder)trans-136.2151.8170.559.70000109.4L162 R164L162-S169 WeakPolarHBondContact CA-O 3.46Å; L162-S169 WeakPolarHBondContact CB-O 3.15Å; L162-S169 PolarHBondContact N-O 3.28Å; L162-S169 PolarHBondContact O-N 2.68Å; R164-S169 PolarHBondContact NE-OG 2.9Å
170C94.1Very high86.5Confident18 Ų1859.3 Ų59.312%0.12231%0.31CS..EExtended strand (participates in β ladder)trans-96.7127.3174.3-56.40000110.5C155 T180 C182C155-C170 WeakPolarHBondContact CA-SG 3.4Å; C155-C170 HydrophobicContact CB-CB 3.74Å; C155-C170 WeakPolarHBondContact CB-SG 3.47Å; C155-C170 VanDerWaalsContact SG-CA 3.53Å; C155-C170 WeakPolarHBondContact SG-CB 3.28Å; C155-C170 CovalentContact SG-SG 2.03Å; C155-C170 PolarHBondContact SG-SG 2.9Å; C170-T180 WeakPolarHBondContact CB-O 3.41Å; C170-C182 VanDerWaalsContact CB-SG 3.59Å
171D93.8Very high86.6Confident48 Ų4856.3 Ų56.326%0.25730%0.297SS..EExtended strand (participates in β ladder)trans-84.6109167.7178.515.6000109.7G159 K160 L162 S173G159-D171 WeakPolarHBondContact CA-O 3.4Å; K160-D171 HydrophobicContact CB-CB 4.29Å; K160-D171 PolarHBondContact N-O 2.93Å; K160-D171 PolarHBondContact O-N 2.86Å; L162-D171 HydrophobicContact CD1-CB 3.75Å; L162-D171 HydrophobicContact CD2-CB 4.38Å; L162-D171 HydrophobicContact CG-CB 3.89Å; D171-S173 WeakPolarHBondContact OD1-CB 3.48Å; D171-S173 PolarHBondContact OD1-N 2.83Å; D171-S173 PolarHBondContact OD1-OG 3.45Å
172C95Very high86.9Confident11 Ų1154.9 Ų54.97%0.07429%0.288CS..  trans-99.27.5178.7-41.50000112.2N174 T175 Y177 G179 C182 K372C172-N174 PolarHBondContact O-N 2.74Å; C172-T175 PolarHBondContact O-N 2.78Å; C172-T175 PolarHBondContact O-OG1 2.96Å; C172-T175 VanDerWaalsContact O-OG1 3.09Å; C172-Y177 VanDerWaalsContact CB-O 3.25Å; C172-Y177 WeakPolarHBondContact CB-O 3.46Å; C172-G179 PolarHBondContact SG-O 2.92Å; C172-C182 WeakPolarHBondContact CA-SG 3.23Å; C172-C182 HydrophobicContact CB-CB 3.86Å; C172-C182 WeakPolarHBondContact CB-SG 3.32Å; C172-C182 WeakPolarHBondContact SG-CA 3.38Å; C172-C182 WeakPolarHBondContact SG-CB 3.46Å; C172-C182 PolarHBondContact SG-N 3.18Å; C172-C182 CovalentContact SG-SG 2.04Å; C172-C182 PolarHBondContact SG-SG 3.35Å; C172-K372 PolarHBondContact O-NZ 3.43Å
173S91.1Very high87.2Confident84 Ų8456.5 Ų56.559%0.58730%0.297SS*.THydrogen-bonded Turntrans-59.8-34-169.8-54.50000113.2D171D171-S173 WeakPolarHBondContact OD1-CB 3.48Å; D171-S173 PolarHBondContact OD1-N 2.83Å; D171-S173 PolarHBondContact OD1-OG 3.45Å
174N89.6Confident88Confident104 Ų10459.4 Ų59.456%0.55631%0.309SS*.THydrogen-bonded Turntrans-99.723.9179.5-61.2-36.1000113.2C172C172-N174 PolarHBondContact O-N 2.74Å
175T94.3Very high89.1Confident4 Ų453.7 Ų53.73%0.02529%0.288CS..SBendtrans-124.6160.8177.380.30000110.4N157 C172 Y177 K372N157-T175 WeakPolarHBondContact O-CG2 3.39Å; C172-T175 PolarHBondContact O-N 2.78Å; C172-T175 PolarHBondContact O-OG1 2.96Å; C172-T175 VanDerWaalsContact O-OG1 3.09Å; T175-Y177 PolarHBondContact O-N 2.93Å; T175-Y177 PolarHBondContact OG1-N 2.78Å; T175-Y177 PolarHBondContact OG1-O 3.32Å; T175-K372 WeakPolarHBondContact O-CD 3.13Å
176A95.1Very high90.7Very high3 Ų347.8 Ų47.83%0.02527%0.265CS..SBendtrans-79.820.2172.900000114V186 Q364 A369A176-V186 WeakPolarHBondContact O-CB 3.03Å; A176-V186 PolarHBondContact O-N 3.39Å; A176-Q364 HydrophobicContact CB-CB 4.1Å; A176-A369 HydrophobicContact CB-CB 4Å
177Y94.9Very high92.1Very high17 Ų1740.5 Ų40.57%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-130.8151.4-172.3-54.2-98.2000111N157 C172 T175 C182 K184 D185 R362 K372N157-Y177 HydrophobicContact CB-CD1 4.2Å; N157-Y177 HydrophobicContact CB-CD2 3.37Å; N157-Y177 HydrophobicContact CB-CE1 4.21Å; N157-Y177 HydrophobicContact CB-CE2 3.44Å; N157-Y177 VanDerWaalsContact CB-CE2 3.44Å; N157-Y177 HydrophobicContact CB-CG 3.79Å; N157-Y177 WeakPolarHBondContact ND2-CD1 3.23Å; C172-Y177 VanDerWaalsContact CB-O 3.25Å; C172-Y177 WeakPolarHBondContact CB-O 3.46Å; T175-Y177 PolarHBondContact O-N 2.93Å; T175-Y177 PolarHBondContact OG1-N 2.78Å; T175-Y177 PolarHBondContact OG1-O 3.32Å; Y177-C182 VanDerWaalsContact CB-O 3.27Å; Y177-C182 WeakPolarHBondContact CB-O 3.31Å; Y177-K184 CarbonylContact C-O 3.58Å; Y177-K184 VanDerWaalsContact CA-O 3.26Å; Y177-K184 WeakPolarHBondContact CA-O 3.33Å; Y177-D185 VanDerWaalsContact CD1-OD1 3.28Å; Y177-D185 WeakPolarHBondContact CD1-OD1 3.18Å; Y177-D185 WeakPolarHBondContact CE1-OD1 3.1Å; Y177-R362 HydrophobicContact CD1-CG 4.5Å; Y177-R362 HydrophobicContact CE1-CB 4.46Å; Y177-R362 HydrophobicContact CE1-CG 3.67Å; Y177-R362 WeakPolarHBondContact OH-CD 3.25Å; Y177-K372 PolarHBondContact O-NZ 2.87Å
178D93.8Very high93.2Very high29 Ų2939.8 Ų39.816%0.15522%0.224CC..EExtended strand (participates in β ladder)trans-116.8-170171.2-80.3-24000110.2C182 N183 K184 V186 K372 R376D178-C182 CarbonylContact O-C 3.6Å; D178-C182 VanDerWaalsContact O-C 3.31Å; D178-C182 VanDerWaalsContact O-CA 3.25Å; D178-C182 WeakPolarHBondContact O-CA 3.46Å; D178-N183 PolarHBondContact O-N 2.96Å; D178-K184 HydrophobicContact CB-CB 4.34Å; D178-K184 PolarHBondContact N-O 3Å; D178-K184 WeakPolarHBondContact O-CB 3.34Å; D178-K184 PolarHBondContact O-N 2.84Å; D178-V186 HydrophobicContact CB-CG2 4.2Å; D178-K372 WeakPolarHBondContact OD1-CE 3.46Å; D178-K372 IonicContact OD1-NZ 3.9Å; D178-K372 PolarHBondContact OD1-NZ 3.39Å; D178-R376 IonicContact OD2-CZ 2.81Å; D178-R376 IonicContact OD2-NE 2.82Å; D178-R376 PolarHBondContact OD2-NE 3.5Å; D178-R376 IonicContact OD2-NH2 3.36Å; D178-R376 PolarHBondContact OD2-NH2 3.25Å
179G92.4Very high93.7Very high39 Ų3941.5 Ų41.540%0.40223%0.233SC..SBendtrans95166.1-179.500000112.2C172 F181 C182C172-G179 PolarHBondContact SG-O 2.92Å; G179-F181 PolarHBondContact O-N 3.41Å; G179-C182 PolarHBondContact O-N 3.49Å
180T93.1Very high94Very high101 Ų10139.9 Ų39.962%0.6222%0.221SC*.THydrogen-bonded Turntrans-62.2-26.1-176.9510000113C170C170-T180 WeakPolarHBondContact CB-O 3.41Å
181F94.9Very high94Very high80 Ų8044.4 Ų44.435%0.35124%0.24SC..THydrogen-bonded Turntrans-121.416.1-176.7-59.4-56.1000112.9N154 E156 Y168 G179 N183N154-F181 HydrophobicContact CB-CD1 4.39Å; N154-F181 WeakPolarHBondContact O-CB 3.29Å; E156-F181 PolarHBondContact N-O 2.84Å; Y168-F181 HydrophobicContact CE2-CD1 4.22Å; Y168-F181 AromaticContact CE2-CE1 3.9Å; Y168-F181 HydrophobicContact CE2-CE1 3.9Å; Y168-F181 AromaticContact CZ-CE1 3.78Å; Y168-F181 WeakPolarHBondContact OH-CE1 3.42Å; G179-F181 PolarHBondContact O-N 3.41Å; F181-N183 VanDerWaalsContact C-N 3.29Å; F181-N183 PolarHBondContact O-N 3.09Å
182C95.4Very high93.9Very high0 Ų047.7 Ų47.70%025%0.254CS..SBendtrans58.138.8-176-460000113.5E156 N157 C170 C172 Y177 D178 G179E156-C182 WeakPolarHBondContact O-CB 3.49Å; N157-C182 PolarHBondContact ND2-O 3.42Å; C170-C182 VanDerWaalsContact CB-SG 3.59Å; C172-C182 WeakPolarHBondContact CA-SG 3.23Å; C172-C182 HydrophobicContact CB-CB 3.86Å; C172-C182 WeakPolarHBondContact CB-SG 3.32Å; C172-C182 WeakPolarHBondContact SG-CA 3.38Å; C172-C182 WeakPolarHBondContact SG-CB 3.46Å; C172-C182 PolarHBondContact SG-N 3.18Å; C172-C182 CovalentContact SG-SG 2.04Å; C172-C182 PolarHBondContact SG-SG 3.35Å; Y177-C182 VanDerWaalsContact CB-O 3.27Å; Y177-C182 WeakPolarHBondContact CB-O 3.31Å; D178-C182 CarbonylContact O-C 3.6Å; D178-C182 VanDerWaalsContact O-C 3.31Å; D178-C182 VanDerWaalsContact O-CA 3.25Å; D178-C182 WeakPolarHBondContact O-CA 3.46Å; G179-C182 PolarHBondContact O-N 3.49Å
183N92.8Very high93.8Very high82 Ų8248.6 Ų48.644%0.43927%0.265SS..  trans-114.32-173.967.4-22.7000113.9D178 F181D178-N183 PolarHBondContact O-N 2.96Å; F181-N183 VanDerWaalsContact C-N 3.29Å; F181-N183 PolarHBondContact O-N 3.09Å
184K92.8Very high94Very high112 Ų11245.7 Ų45.749%0.48724%0.243SC..EExtended strand (participates in β ladder)trans-99.3120174.4-177.1-175.2172.8-166.40109.1Y177 D178 E392Y177-K184 CarbonylContact C-O 3.58Å; Y177-K184 VanDerWaalsContact CA-O 3.26Å; Y177-K184 WeakPolarHBondContact CA-O 3.33Å; D178-K184 HydrophobicContact CB-CB 4.34Å; D178-K184 PolarHBondContact N-O 3Å; D178-K184 WeakPolarHBondContact O-CB 3.34Å; D178-K184 PolarHBondContact O-N 2.84Å; K184-E392 IonicContact NZ-OE1 3.99Å
185D93.1Very high94.3Very high15 Ų1543 Ų438%0.0823%0.225CC..EExtended strand (participates in β ladder)trans-65.3138.8177.9-60.8-24.5000111.7Y177 R362 A397Y177-D185 VanDerWaalsContact CD1-OD1 3.28Å; Y177-D185 WeakPolarHBondContact CD1-OD1 3.18Å; Y177-D185 WeakPolarHBondContact CE1-OD1 3.1Å; D185-R362 HydrophobicContact CB-CG 4.13Å; D185-R362 IonicContact OD1-CZ 3.1Å; D185-R362 IonicContact OD1-NE 3.59Å; D185-R362 PolarHBondContact OD1-NE 3.37Å; D185-R362 IonicContact OD1-NH2 2.71Å; D185-R362 PolarHBondContact OD1-NH2 3.49Å; D185-R362 IonicContact OD2-CZ 2.72Å; D185-R362 IonicContact OD2-NE 3.33Å; D185-R362 PolarHBondContact OD2-NE 3.19Å; D185-R362 IonicContact OD2-NH2 3.3Å; D185-R362 PolarHBondContact OD2-NH2 3.31Å; D185-A397 WeakPolarHBondContact OD2-CB 3.43Å
186V95.1Very high94.4Very high1 Ų142.8 Ų42.81%0.00622%0.223CC..PPolyproline II helixtrans-95120.3164.8-176.40000108A176 D178 S361 R362 K372 L375A176-V186 WeakPolarHBondContact O-CB 3.03Å; A176-V186 PolarHBondContact O-N 3.39Å; D178-V186 HydrophobicContact CB-CG2 4.2Å; V186-S361 WeakPolarHBondContact O-CA 3.21Å; V186-R362 PolarHBondContact O-N 2.92Å; V186-K372 HydrophobicContact CB-CB 4.47Å; V186-K372 HydrophobicContact CG1-CB 4.13Å; V186-K372 HydrophobicContact CG2-CB 4.49Å; V186-K372 HydrophobicContact CG2-CD 4.36Å; V186-K372 HydrophobicContact CG2-CG 4.31Å; V186-L375 HydrophobicContact CG1-CD1 3.74Å
187G95.4Very high94.5Very high0 Ų045 Ų450%023%0.231CC..EExtended strand (participates in β ladder)trans-144.5164.7-179.700000112.4L360 E392 S393G187-L360 CarbonylContact C-O 3.59Å; G187-L360 WeakPolarHBondContact CA-O 3.07Å; G187-E392 WeakPolarHBondContact O-CA 3.35Å; G187-S393 CarbonylContact C-O 3.56Å; G187-S393 VanDerWaalsContact CA-O 3.29Å; G187-S393 WeakPolarHBondContact CA-O 3.42Å; G187-S393 PolarHBondContact O-N 3.35Å
188A95.7Very high94.5Very high0 Ų045.2 Ų45.20%023%0.232CC..EExtended strand (participates in β ladder)trans-147.1150.1178.400000111.4F190 C359 L360 L371 L375 L390 V391A188-F190 HydrophobicContact CB-CE2 4.26Å; A188-C359 PolarHBondContact O-SG 3.28Å; A188-L360 PolarHBondContact N-O 3Å; A188-L360 PolarHBondContact O-N 2.81Å; A188-L371 HydrophobicContact CB-CD2 4.16Å; A188-L375 HydrophobicContact CB-CD1 4.43Å; A188-L390 HydrophobicContact CB-CD1 3.47Å; A188-L390 VanDerWaalsContact CB-CD1 3.47Å; A188-L390 HydrophobicContact CB-CD2 4.16Å; A188-L390 HydrophobicContact CB-CG 3.69Å; A188-V391 VanDerWaalsContact CA-O 3.29Å; A188-V391 WeakPolarHBondContact CA-O 3.32Å
189F95Very high94.5Very high89 Ų8944.9 Ų44.939%0.3923%0.23SC..EExtended strand (participates in β ladder)trans-89.1139.7172.3-172-99.9000110.6E191 G358 C359 V391F189-E191 HydrophobicContact CD1-CG 4.12Å; F189-E191 HydrophobicContact CE1-CG 3.8Å; F189-G358 WeakPolarHBondContact CD2-O 3.47Å; F189-C359 HydrophobicContact CD2-CB 4.46Å; F189-V391 PolarHBondContact N-O 3.32Å
190F95.6Very high94.5Very high1 Ų145 Ų450%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-116.6125.8177.7-73.8-104000109.5A188 M194 L196 L335 F356 T357 G358 L360 L371 L390A188-F190 HydrophobicContact CB-CE2 4.26Å; F190-M194 HydrophobicContact CD1-CB 4.2Å; F190-L196 HydrophobicContact CE1-CB 4.2Å; F190-L196 HydrophobicContact CZ-CB 4.33Å; F190-L335 HydrophobicContact CE1-CB 4.07Å; F190-L335 HydrophobicContact CZ-CB 3.87Å; F190-L335 HydrophobicContact CZ-CD1 4.4Å; F190-F356 HydrophobicContact CB-CD1 3.79Å; F190-F356 HydrophobicContact CB-CE1 4.03Å; F190-F356 HydrophobicContact CD2-CD1 4.38Å; F190-F356 HydrophobicContact CD2-CE1 4.21Å; F190-F356 HydrophobicContact CG-CD1 4.11Å; F190-F356 HydrophobicContact CG-CE1 4.33Å; F190-T357 VanDerWaalsContact O-CA 3.31Å; F190-T357 WeakPolarHBondContact O-CA 3.31Å; F190-G358 PolarHBondContact N-O 3.17Å; F190-G358 PolarHBondContact O-N 3.23Å; F190-L360 HydrophobicContact CD2-CB 4.36Å; F190-L360 HydrophobicContact CD2-CD1 4.04Å; F190-L360 HydrophobicContact CD2-CG 4.4Å; F190-L360 HydrophobicContact CE2-CB 4.03Å; F190-L360 HydrophobicContact CE2-CD1 3.8Å; F190-L360 HydrophobicContact CE2-CG 4.33Å; F190-L360 HydrophobicContact CZ-CD1 4.23Å; F190-L371 HydrophobicContact CE2-CD2 3.99Å; F190-L371 HydrophobicContact CZ-CD2 3.94Å; F190-L390 HydrophobicContact CE1-CD1 4.27Å; F190-L390 HydrophobicContact CE2-CD1 4.07Å; F190-L390 HydrophobicContact CZ-CD1 3.88Å
191E94.4Very high94Very high112 Ų11243.6 Ų43.652%0.52321%0.206SC..  trans-89.9167.5169.3-63.2-174.5158.700111.5F189 G193 M194F189-E191 HydrophobicContact CD1-CG 4.12Å; F189-E191 HydrophobicContact CE1-CG 3.8Å; E191-G193 PolarHBondContact O-N 2.94Å; E191-M194 HydrophobicContact CB-CE 3.87Å; E191-M194 HydrophobicContact CB-CG 4.03Å; E191-M194 HydrophobicContact CB-SD 3.8Å; E191-M194 HydrophobicContact CG-CE 3.94Å; E191-M194 HydrophobicContact CG-SD 4.17Å; E191-M194 PolarHBondContact N-SD 3.06Å; E191-M194 WeakPolarHBondContact O-CB 3.41Å; E191-M194 PolarHBondContact O-N 2.73Å; E191-M194 VanDerWaalsContact O-N 3.12Å
192E93.1Very high92.5Very high118 Ų11842.6 Ų42.655%0.55121%0.213SC*.THydrogen-bonded Turntrans-54.6130.3176.2-69.6-177.2-177.400111.2M194 P354 T357E192-M194 VanDerWaalsContact C-N 3.26Å; E192-M194 PolarHBondContact O-N 2.83Å; E192-P354 HydrophobicContact CB-CB 4.27Å; E192-P354 HydrophobicContact CG-CB 4.19Å; E192-P354 HydrophobicContact CG-CG 4.25Å; E192-T357 HydrophobicContact CG-CG2 4.42Å; E192-T357 WeakPolarHBondContact CG-OG1 3.48Å; E192-T357 PolarHBondContact N-OG1 2.89Å
193G92.5Very high90.7Very high29 Ų2946.1 Ų46.130%0.29924%0.235SC..THydrogen-bonded Turntrans80.7-9.6-179.900000116.1E191 P354E191-G193 PolarHBondContact O-N 2.94Å; G193-P354 PolarHBondContact N-O 3.44Å
194M95.3Very high88.8Confident23 Ų2346.5 Ų46.511%0.11325%0.25CC..  trans-67.6147.6173.6-68.9-171.4168.900111.4F190 E191 E192 K337 Q387 E389F190-M194 HydrophobicContact CD1-CB 4.2Å; E191-M194 HydrophobicContact CB-CE 3.87Å; E191-M194 HydrophobicContact CB-CG 4.03Å; E191-M194 HydrophobicContact CB-SD 3.8Å; E191-M194 HydrophobicContact CG-CE 3.94Å; E191-M194 HydrophobicContact CG-SD 4.17Å; E191-M194 PolarHBondContact N-SD 3.06Å; E191-M194 WeakPolarHBondContact O-CB 3.41Å; E191-M194 PolarHBondContact O-N 2.73Å; E191-M194 VanDerWaalsContact O-N 3.12Å; E192-M194 VanDerWaalsContact C-N 3.26Å; E192-M194 PolarHBondContact O-N 2.83Å; M194-K337 PolarHBondContact O-N 3.38Å; M194-Q387 WeakPolarHBondContact CA-O 3.21Å; M194-E389 VanDerWaalsContact CE-O 3.29Å; M194-E389 WeakPolarHBondContact CE-O 3.35Å
195W95.6Very high86.5Confident47 Ų4747.3 Ų47.318%0.17827%0.265CS..EExtended strand (participates in β ladder)trans-149.5150.9171.960.8-92.5000112.7R197 L335 K337 I339 H385 I386 Q387W195-R197 HydrophobicContact CE3-CB 3.83Å; W195-R197 HydrophobicContact CZ3-CB 3.51Å; W195-L335 WeakPolarHBondContact CA-O 3.34Å; W195-K337 HydrophobicContact CB-CB 4.09Å; W195-K337 WeakPolarHBondContact CB-O 3.44Å; W195-I339 HydrophobicContact CD2-CG1 4.06Å; W195-I339 HydrophobicContact CG-CG1 3.89Å; W195-H385 HydrophobicContact CH2-CB 4.04Å; W195-H385 HydrophobicContact CZ3-CB 3.85Å; W195-H385 WeakPolarHBondContact CZ3-O 3.25Å; W195-I386 WeakPolarHBondContact O-CA 3.11Å; W195-Q387 VanDerWaalsContact CD1-CB 3.46Å; W195-Q387 HydrophobicContact CD2-CB 3.95Å; W195-Q387 HydrophobicContact CG-CB 4Å; W195-Q387 HydrophobicContact CZ2-CB 3.85Å; W195-Q387 PolarHBondContact N-O 3.03Å; W195-Q387 PolarHBondContact O-N 3.49Å
196L96.6Very high84Confident0 Ų053.6 Ų53.60%030%0.298CS..EExtended strand (participates in β ladder)trans-124.5130169.4-179.9156.4000108.3F190 F334 L335 P370 L371 A374 V384 H385 I386 L390F190-L196 HydrophobicContact CE1-CB 4.2Å; F190-L196 HydrophobicContact CZ-CB 4.33Å; L196-F334 CarbonylContact O-C 3.48Å; L196-F334 WeakPolarHBondContact O-CA 3.06Å; L196-L335 HydrophobicContact CB-CB 4.37Å; L196-L335 HydrophobicContact CD2-CD1 4.17Å; L196-L335 HydrophobicContact CD2-CG 4.46Å; L196-L335 PolarHBondContact N-O 3.32Å; L196-L335 PolarHBondContact O-N 3.16Å; L196-P370 HydrophobicContact CD2-CB 3.96Å; L196-L371 HydrophobicContact CD1-CD2 4.11Å; L196-A374 HydrophobicContact CD1-CB 3.62Å; L196-V384 HydrophobicContact CD1-CG1 4.11Å; L196-V384 HydrophobicContact CD2-CG1 4.3Å; L196-V384 HydrophobicContact CG-CG1 3.94Å; L196-H385 WeakPolarHBondContact CA-O 3.28Å; L196-I386 HydrophobicContact CD1-CD1 4.47Å; L196-I386 HydrophobicContact CD1-CG1 4.37Å; L196-I386 HydrophobicContact CG-CG1 4.31Å; L196-L390 HydrophobicContact CD1-CD2 3.98Å
197R96.1Very high81.4Confident50 Ų5058.1 Ų58.119%0.18934%0.336CS..EExtended strand (participates in β ladder)trans-117.5126.5173.2-178.7-175.3174.4-175.8-9.1109.1W195 N199 S332 L333 F334 V384 H385W195-R197 HydrophobicContact CE3-CB 3.83Å; W195-R197 HydrophobicContact CZ3-CB 3.51Å; R197-N199 PolarHBondContact NE-OD1 2.72Å; R197-N199 PolarHBondContact NH2-OD1 3.2Å; R197-N199 VanDerWaalsContact NH2-OD1 3.09Å; R197-S332 PolarHBondContact NE-OG 2.85Å; R197-S332 PolarHBondContact NH2-OG 2.97Å; R197-L333 CarbonylContact C-O 3.54Å; R197-L333 WeakPolarHBondContact CA-O 3.32Å; R197-F334 HydrophobicContact CB-CD1 3.97Å; R197-F334 HydrophobicContact CB-CE1 3.9Å; R197-F334 HydrophobicContact CG-CD1 3.98Å; R197-F334 HydrophobicContact CG-CE1 3.54Å; R197-F334 HydrophobicContact CG-CZ 3.86Å; R197-V384 CarbonylContact O-C 3.25Å; R197-V384 WeakPolarHBondContact O-CA 3.27Å; R197-H385 HydrophobicContact CB-CB 4.39Å; R197-H385 PolarHBondContact N-O 3.15Å; R197-H385 PolarHBondContact O-N 3.42Å
198Y95.7Very high79.2Confident21 Ų2168.6 Ų68.68%0.08238%0.375CS..EExtended strand (participates in β ladder)trans-105.5121.3168.2-172.2-77.8000109.1F200 S332 L333 I368 P370 A373 H383 V384Y198-F200 AromaticContact CD1-CD1 3.98Å; Y198-F200 HydrophobicContact CD1-CD1 3.98Å; Y198-F200 HydrophobicContact CD1-CE1 4.24Å; Y198-F200 HydrophobicContact CE1-CD1 4.04Å; Y198-S332 CarbonylContact O-C 3.45Å; Y198-S332 VanDerWaalsContact O-CA 3.23Å; Y198-S332 WeakPolarHBondContact O-CA 3.06Å; Y198-L333 PolarHBondContact N-O 2.97Å; Y198-L333 PolarHBondContact O-N 2.78Å; Y198-I368 HydrophobicContact CD1-CG2 3.88Å; Y198-I368 HydrophobicContact CD2-CG2 4.14Å; Y198-I368 HydrophobicContact CE1-CD1 4.14Å; Y198-I368 HydrophobicContact CE1-CG2 3.49Å; Y198-I368 VanDerWaalsContact CE1-CG2 3.49Å; Y198-I368 HydrophobicContact CE2-CG2 3.77Å; Y198-I368 HydrophobicContact CG-CG2 4.22Å; Y198-I368 VanDerWaalsContact CZ-CG2 3.43Å; Y198-P370 HydrophobicContact CD2-CB 3.93Å; Y198-P370 HydrophobicContact CG-CB 4.16Å; Y198-A373 HydrophobicContact CD2-CB 4.44Å; Y198-A373 HydrophobicContact CE2-CB 4.01Å; Y198-H383 WeakPolarHBondContact CA-O 3.23Å; Y198-H383 HydrophobicContact CD2-CB 4.34Å; Y198-H383 HydrophobicContact CE1-CB 4.13Å; Y198-H383 HydrophobicContact CE2-CB 3.87Å; Y198-V384 HydrophobicContact CD2-CG2 3.82Å; Y198-V384 HydrophobicContact CE2-CG2 4.21Å
199N94.5Very high76.7Confident22 Ų2275.8 Ų75.812%0.11841%0.414CS..EExtended strand (participates in β ladder)trans-87.6128173.1-67.3-24.9000109.7R197 Q201 S332 H383 H385R197-N199 PolarHBondContact NE-OD1 2.72Å; R197-N199 PolarHBondContact NH2-OD1 3.2Å; R197-N199 VanDerWaalsContact NH2-OD1 3.09Å; N199-Q201 WeakPolarHBondContact CB-O 3.25Å; N199-Q201 PolarHBondContact O-N 2.85Å; N199-S332 PolarHBondContact OD1-OG 3.42Å; N199-H383 PolarHBondContact N-O 3Å; N199-H383 WeakPolarHBondContact O-CB 3.36Å; N199-H383 PolarHBondContact O-CD2 3.19Å; N199-H383 VanDerWaalsContact O-CD2 3.31Å; N199-H385 PolarHBondContact ND2-CD2 3.05Å; N199-H385 VanDerWaalsContact ND2-CD2 3.33Å; N199-H385 PolarHBondContact ND2-NE2 3.18Å; N199-H385 VanDerWaalsContact ND2-NE2 3.12Å
200F91.6Very high73.9Confident43 Ų4377.2 Ų77.219%0.18944%0.435CS..SBendtrans-69.1-14.2177.8-63.9-54.3000113.5Y198 I248 P330 K331 L333 F365 I368Y198-F200 AromaticContact CD1-CD1 3.98Å; Y198-F200 HydrophobicContact CD1-CD1 3.98Å; Y198-F200 HydrophobicContact CD1-CE1 4.24Å; Y198-F200 HydrophobicContact CE1-CD1 4.04Å; F200-I248 HydrophobicContact CE2-CG2 3.76Å; F200-I248 HydrophobicContact CZ-CG2 4.07Å; F200-P330 HydrophobicContact CD2-CB 3.79Å; F200-P330 HydrophobicContact CE2-CB 3.71Å; F200-K331 VanDerWaalsContact CD2-C 3.5Å; F200-K331 PolarHBondContact N-O 2.72Å; F200-L333 HydrophobicContact CE1-CB 4.45Å; F200-L333 HydrophobicContact CZ-CB 3.97Å; F200-F365 AromaticContact CE1-CD1 3.62Å; F200-F365 HydrophobicContact CE1-CD1 3.62Å; F200-F365 AromaticContact CE1-CE1 3.96Å; F200-F365 HydrophobicContact CE1-CE1 3.96Å; F200-F365 HydrophobicContact CE2-CE1 4.36Å; F200-F365 AromaticContact CZ-CD1 3.57Å; F200-F365 HydrophobicContact CZ-CD1 3.57Å; F200-F365 AromaticContact CZ-CE1 3.62Å; F200-F365 HydrophobicContact CZ-CE1 3.62Å; F200-F365 HydrophobicContact CZ-CG 4.42Å; F200-I368 HydrophobicContact CD1-CD1 3.5Å; F200-I368 VanDerWaalsContact CD1-CD1 3.5Å; F200-I368 HydrophobicContact CE1-CD1 3.71Å
201Q83.7Confident71.5Confident70 Ų7083 Ų8333%0.32748%0.475SS..SBendtrans-120.3143.4171.8-73.5-179.7-13.800110.8N199 H224N199-Q201 WeakPolarHBondContact CB-O 3.25Å; N199-Q201 PolarHBondContact O-N 2.85Å; Q201-H224 PolarHBondContact NE2-CE1 3Å; Q201-H224 PolarHBondContact NE2-ND1 2.77Å; Q201-H224 VanDerWaalsContact NE2-ND1 3.14Å; Q201-H224 PolarHBondContact OE1-CE1 3.1Å
202A63.3Low69.3Low59 Ų5982.3 Ų82.349%0.48848%0.483SS..  trans-62.6145171.300000109.7A204 H383A202-A204 PolarHBondContact O-N 2.82Å; A202-H383 PolarHBondContact N-CD2 3.25Å; A202-H383 PolarHBondContact N-NE2 2.75Å
203P57.3Low66.7Low74 Ų7487.7 Ų87.748%0.48150%0.498SS..  trans-57.3129.5169-4.312.7000108.6T205P203-T205 PolarHBondContact O-N 2.82Å
204A53.1Low64.6Low90 Ų9092.6 Ų92.674%0.74452%0.522SS*.  trans-55.4109.2173.100000108.4A202 N206A202-A204 PolarHBondContact O-N 2.82Å; A204-N206 PolarHBondContact O-N 2.92Å; A204-N206 VanDerWaalsContact O-N 3.07Å
205T43.3Very low61.9Low130 Ų13098.5 Ų98.580%0.79855%0.554SS**  trans-60.7116.2168.849.70000105.9P203 A207P203-T205 PolarHBondContact O-N 2.82Å; T205-A207 VanDerWaalsContact C-N 3.25Å; T205-A207 PolarHBondContact O-N 2.79Å
206N40.7Very low59.4Low146 Ų146104.1 Ų104.178%0.78159%0.588SS**  trans-56.890.5176.3-73.3-46.5000109.3A204 R208A204-N206 PolarHBondContact O-N 2.92Å; A204-N206 VanDerWaalsContact O-N 3.07Å; N206-R208 PolarHBondContact O-N 2.82Å
207A41.3Very low56.4Low97 Ų97107.7 Ų107.780%0.80262%0.617SS**  trans-73.765.6163.700000107.9T205 D209T205-A207 VanDerWaalsContact C-N 3.25Å; T205-A207 PolarHBondContact O-N 2.79Å; A207-D209 PolarHBondContact O-N 2.9Å
208R48.5Very low53.7Low219 Ų219111.1 Ų111.183%0.82665%0.646SS**  trans-83.383.2157.6-74.4-167.6-179.2179.11.2106.8N206N206-R208 PolarHBondContact O-N 2.82Å
209D42.9Very low50.8Low152 Ų152117.6 Ų117.681%0.81368%0.682SS**  trans166.197.6136.4-89.7-14.6000109A207A207-D209 PolarHBondContact O-N 2.9Å
210S36.7Very low48.3Very low119 Ų119125.1 Ų125.183%0.83272%0.716SS**  trans179.284.5138.3-79.70000108.4S212S210-S212 PolarHBondContact O-N 2.79Å; S210-S212 VanDerWaalsContact O-N 3.07Å
211S46.4Very low46.1Very low121 Ų121130.7 Ų130.785%0.84674%0.743SS**  trans-58.9103.4155.352.80000109
212S46.4Very low44.3Very low99 Ų99133.7 Ų133.769%0.69276%0.761SS**  trans157.3103.9142.751.80000110.5S210S210-S212 PolarHBondContact O-N 2.79Å; S210-S212 VanDerWaalsContact O-N 3.07Å
213R40.1Very low43.7Very low231 Ų231135.9 Ų135.987%0.87277%0.773SS**  174.7114.6122.8-91.1161.5-167-167.43.8107.9D215R213-D215 PolarHBondContact O-N 2.83Å
214V46.8Very low44.2Very low132 Ų132134.7 Ų134.780%0.876%0.761SS**  trans-69.9110.9166.2174.30000106.1
215D39.6Very low45.6Very low147 Ų147134.9 Ų134.979%0.78676%0.755SS**  trans-135.2119157.4-88.6-40.5000107.5R213 A217R213-D215 PolarHBondContact O-N 2.83Å; D215-A217 PolarHBondContact O-N 3.49Å
216N42.2Very low47.9Very low165 Ų165132.3 Ų132.388%0.88274%0.736SS**  trans-66.494.1175.9-75.5-43.5000109.5
217A34.5Very low50.4Low75 Ų75126.8 Ų126.862%0.6271%0.707SS**  trans-111136.2155.300000107.3D215 D219D215-A217 PolarHBondContact O-N 3.49Å; A217-D219 PolarHBondContact O-N 3.11Å; A217-D219 VanDerWaalsContact O-N 3.1Å
218P40.2Very low53Low121 Ų121124 Ų12479%0.78668%0.684SS**  trans-65.3117.3172.128-30.1000107.7Q220P218-Q220 PolarHBondContact O-N 2.95Å
219D33.9Very low55.2Low158 Ų158118.9 Ų118.985%0.84567%0.669SS**  trans-49.499.7175.2-85.8-40.4000111A217 Q221A217-D219 PolarHBondContact O-N 3.11Å; A217-D219 VanDerWaalsContact O-N 3.1Å; D219-Q221 VanDerWaalsContact C-N 3.28Å
220Q41.5Very low57.7Low179 Ų179111.7 Ų111.784%0.83663%0.631SS**  trans-95.939.1164.2-85.2-167.7-12.600110.8P218P218-Q220 PolarHBondContact O-N 2.95Å
221Q46Very low60.6Low160 Ų160108.4 Ų108.475%0.74860%0.602SS**SBendtrans-135.868.9-172.8-152.28823.100110.9D219D219-Q221 VanDerWaalsContact C-N 3.28Å
222N46.2Very low63Low133 Ų133102.6 Ų102.671%0.71156%0.562SS**  trans156.743.7156-80.5-22.3000112.5
223S49.8Very low65.4Low105 Ų105101.6 Ų101.673%0.73454%0.543SS*.PPolyproline II helixtrans-88120.2167.543.70000109.6
224H68.8Low68.1Low49 Ų4990.7 Ų90.723%0.22750%0.502CS..PPolyproline II helixtrans-69.9122.9169.6-57.3-84.3000108Q201 D226 F251Q201-H224 PolarHBondContact NE2-CE1 3Å; Q201-H224 PolarHBondContact NE2-ND1 2.77Å; Q201-H224 VanDerWaalsContact NE2-ND1 3.14Å; Q201-H224 PolarHBondContact OE1-CE1 3.1Å; H224-D226 PolarHBondContact O-N 2.97Å; H224-F251 AromaticContact CE1-CD2 3.44Å; H224-F251 VanDerWaalsContact CE1-CD2 3.44Å; H224-F251 WeakPolarHBondContact CE1-CD2 3.27Å; H224-F251 AromaticContact CE1-CE2 2.95Å; H224-F251 WeakPolarHBondContact CE1-CE2 3.32Å; H224-F251 AromaticContact CE1-CZ 3.55Å; H224-F251 AromaticContact ND1-CD2 3.64Å; H224-F251 AromaticContact ND1-CE2 3.35Å; H224-F251 VanDerWaalsContact ND1-CE2 3.35Å; H224-F251 WeakPolarHBondContact ND1-CE2 3.41Å; H224-F251 AromaticContact NE2-CD2 3.71Å; H224-F251 AromaticContact NE2-CE2 3.63Å
225P82.8Confident70.5Confident94 Ų9484.7 Ų84.761%0.6147%0.465SS*.PPolyproline II helixtrans-71119.9-179.327.3-31.8000109.5P330P225-P330 WeakPolarHBondContact O-CD 3.04Å
226D90.4Very high73.2Confident77 Ų7777.8 Ų77.841%0.41243%0.428SS..PPolyproline II helixtrans-69.2133.7168.5-58.4-34000109H224 L326 N328 S329H224-D226 PolarHBondContact O-N 2.97Å; D226-L326 HydrophobicContact CB-CB 4.41Å; D226-L326 HydrophobicContact CB-CD1 4.31Å; D226-N328 WeakPolarHBondContact OD1-CA 3.14Å; D226-S329 PolarHBondContact OD1-N 2.91Å; D226-S329 PolarHBondContact OD1-OG 2.03Å
227L93.8Very high75.7Confident30 Ų3071 Ų7116%0.15739%0.393CS..BIsolated β-bridgetrans-101.8118.8-173.4-56.1178000110.5E230 R300 L326 F327 P330 F365L227-E230 HydrophobicContact CD1-CB 4.49Å; L227-R300 PolarHBondContact O-NH2 3.31Å; L227-L326 WeakPolarHBondContact O-CA 3.15Å; L227-F327 HydrophobicContact CB-CB 4.27Å; L227-F327 PolarHBondContact N-O 2.91Å; L227-F327 PolarHBondContact O-N 2.76Å; L227-P330 HydrophobicContact CD1-CG 3.73Å; L227-P330 HydrophobicContact CG-CG 4.05Å; L227-F365 HydrophobicContact CD1-CE1 4.12Å; L227-F365 HydrophobicContact CD1-CZ 3.73Å
228A94.4Very high78.6Confident39 Ų3967.6 Ų67.632%0.32237%0.365SS..SBendtrans-85.3-18.616500000112.1R300 E302 L326A228-R300 PolarHBondContact O-NH1 3.36Å; A228-E302 WeakPolarHBondContact O-CA 3.2Å; A228-E302 PolarHBondContact O-N 3.19Å; A228-L326 HydrophobicContact CB-CD2 3.79Å
229Q96Very high81.2Confident111 Ų11166.8 Ų66.852%0.51936%0.358SS..EExtended strand (participates in β ladder)trans-139137.1-179.2177.9175.30.400110R300Q229-R300 VanDerWaalsContact CA-O 3.22Å; Q229-R300 WeakPolarHBondContact CA-O 3.33Å; Q229-R300 VanDerWaalsContact CG-O 3.3Å; Q229-R300 WeakPolarHBondContact CG-O 3.48Å
230E95.6Very high84.1Confident1 Ų164.1 Ų64.11%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-142.1152.5168.370-82.2175.200111.7L227 I232 Y270 T299 R300 F365 N366L227-E230 HydrophobicContact CD1-CB 4.49Å; E230-I232 HydrophobicContact CG-CD1 4.46Å; E230-I232 HydrophobicContact CG-CG1 4.42Å; E230-Y270 WeakPolarHBondContact OE1-CE1 3.29Å; E230-Y270 PolarHBondContact OE1-OH 2.89Å; E230-T299 WeakPolarHBondContact O-CA 3.44Å; E230-R300 HydrophobicContact CG-CB 4.47Å; E230-R300 PolarHBondContact N-O 2.8Å; E230-R300 VanDerWaalsContact N-O 3.14Å; E230-R300 PolarHBondContact O-N 3.41Å; E230-R300 WeakPolarHBondContact OE1-CB 3.3Å; E230-R300 VanDerWaalsContact OE1-CD 3.29Å; E230-R300 WeakPolarHBondContact OE1-CD 3.47Å; E230-R300 IonicContact OE1-CZ 2.93Å; E230-R300 IonicContact OE1-NE 2.98Å; E230-R300 PolarHBondContact OE1-NE 3.06Å; E230-R300 IonicContact OE1-NH2 2.9Å; E230-R300 IonicContact OE2-CZ 2.73Å; E230-R300 IonicContact OE2-NE 3.62Å; E230-R300 PolarHBondContact OE2-NE 2.9Å; E230-R300 IonicContact OE2-NH2 3.13Å; E230-R300 PolarHBondContact OE2-NH2 3.19Å; E230-F365 HydrophobicContact CB-CE2 3.84Å; E230-F365 HydrophobicContact CB-CZ 4.11Å; E230-F365 HydrophobicContact CG-CE2 4.07Å; E230-N366 WeakPolarHBondContact CA-OD1 3.23Å
231E96.6Very high86.6Confident49 Ų4957.7 Ų57.723%0.22932%0.317CS..EExtended strand (participates in β ladder)trans-124.9128.8175.1177164.5-138.900110.1R233 I298 F365 N366E231-R233 VanDerWaalsContact CD-NE 3.29Å; E231-R233 VanDerWaalsContact CD-NH2 3.27Å; E231-R233 HydrophobicContact CG-CG 4.21Å; E231-R233 IonicContact OE1-CZ 2.85Å; E231-R233 IonicContact OE1-NE 3.28Å; E231-R233 PolarHBondContact OE1-NE 3.12Å; E231-R233 IonicContact OE1-NH2 3.04Å; E231-R233 PolarHBondContact OE1-NH2 3.33Å; E231-R233 IonicContact OE2-CZ 3.85Å; E231-R233 IonicContact OE2-NE 2.68Å; E231-R233 IonicContact OE2-NH2 3.18Å; E231-R233 PolarHBondContact OE2-NH2 3.37Å; E231-I298 CarbonylContact C-O 3.5Å; E231-I298 WeakPolarHBondContact CA-O 3.38Å; E231-F365 CarbonylContact O-C 3.6Å; E231-F365 WeakPolarHBondContact O-CA 3.39Å; E231-N366 PolarHBondContact N-OD1 2.75Å; E231-N366 PolarHBondContact O-N 2.82Å
232I97.7Very high88.9Confident0 Ų052.2 Ų52.20%030%0.295CS..EExtended strand (participates in β ladder)trans-128.7120.9-177.2-43.2-167000108.3E230 F234 L246 I248 L256 N297 I298 Q364 F365E230-I232 HydrophobicContact CG-CD1 4.46Å; E230-I232 HydrophobicContact CG-CG1 4.42Å; I232-F234 HydrophobicContact CG2-CD1 4.15Å; I232-F234 HydrophobicContact CG2-CE1 4.46Å; I232-L246 HydrophobicContact CG2-CD1 3.9Å; I232-I248 HydrophobicContact CD1-CD1 4.13Å; I232-L256 HydrophobicContact CD1-CD2 3.16Å; I232-L256 HydrophobicContact CD1-CG 4.22Å; I232-N297 CarbonylContact O-C 3.55Å; I232-N297 WeakPolarHBondContact O-CA 3.4Å; I232-N297 PolarHBondContact O-OD1 3.15Å; I232-I298 HydrophobicContact CB-CB 4.28Å; I232-I298 PolarHBondContact N-O 3.19Å; I232-I298 PolarHBondContact O-N 2.82Å; I232-Q364 WeakPolarHBondContact CA-O 3.46Å; I232-F365 HydrophobicContact CD1-CD2 3.88Å; I232-F365 HydrophobicContact CD1-CE2 4.01Å; I232-F365 HydrophobicContact CG1-CD2 3.8Å; I232-F365 HydrophobicContact CG1-CE2 4.16Å
233R96.9Very high91.2Very high78 Ų7845.9 Ų45.929%0.29426%0.261SS..EExtended strand (participates in β ladder)trans-127.8133.9177-59177.7-177.4175.82.6107.7E231 V296 N297 R362 V363 Q364E231-R233 VanDerWaalsContact CD-NE 3.29Å; E231-R233 VanDerWaalsContact CD-NH2 3.27Å; E231-R233 HydrophobicContact CG-CG 4.21Å; E231-R233 IonicContact OE1-CZ 2.85Å; E231-R233 IonicContact OE1-NE 3.28Å; E231-R233 PolarHBondContact OE1-NE 3.12Å; E231-R233 IonicContact OE1-NH2 3.04Å; E231-R233 PolarHBondContact OE1-NH2 3.33Å; E231-R233 IonicContact OE2-CZ 3.85Å; E231-R233 IonicContact OE2-NE 2.68Å; E231-R233 IonicContact OE2-NH2 3.18Å; E231-R233 PolarHBondContact OE2-NH2 3.37Å; R233-V296 WeakPolarHBondContact CA-O 3.44Å; R233-N297 HydrophobicContact CG-CB 4.35Å; R233-R362 CarbonylContact C-O 3.58Å; R233-V363 CarbonylContact O-C 3.48Å; R233-V363 WeakPolarHBondContact O-CA 3.47Å; R233-Q364 HydrophobicContact CB-CB 4.44Å; R233-Q364 PolarHBondContact N-O 3.38Å; R233-Q364 PolarHBondContact O-N 3.38Å
234F97.1Very high93.4Very high2 Ų240.9 Ų40.91%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-161.1167.1169.265.4-79.6000110I232 F236 L245 L246 V258 V296 L360 S361 V363I232-F234 HydrophobicContact CG2-CD1 4.15Å; I232-F234 HydrophobicContact CG2-CE1 4.46Å; F234-F236 HydrophobicContact CD2-CB 4.48Å; F234-F236 HydrophobicContact CD2-CD1 4.32Å; F234-F236 HydrophobicContact CE2-CB 4.45Å; F234-F236 AromaticContact CE2-CD1 3.78Å; F234-F236 HydrophobicContact CE2-CD1 3.78Å; F234-F236 HydrophobicContact CE2-CG 4.45Å; F234-L245 HydrophobicContact CE2-CB 3.93Å; F234-L245 HydrophobicContact CE2-CD1 3.99Å; F234-L245 HydrophobicContact CZ-CB 4.23Å; F234-L245 HydrophobicContact CZ-CD1 4.27Å; F234-L246 HydrophobicContact CD1-CD1 4.38Å; F234-V258 HydrophobicContact CE1-CB 4.46Å; F234-V258 HydrophobicContact CE1-CG1 4.39Å; F234-V258 HydrophobicContact CE1-CG2 4.33Å; F234-V258 HydrophobicContact CZ-CB 4.12Å; F234-V258 HydrophobicContact CZ-CG1 3.81Å; F234-V258 HydrophobicContact CZ-CG2 4.47Å; F234-V296 HydrophobicContact CD1-CB 4.19Å; F234-V296 HydrophobicContact CE1-CB 3.77Å; F234-V296 HydrophobicContact CE1-CG1 3.85Å; F234-V296 HydrophobicContact CE1-CG2 4.4Å; F234-V296 HydrophobicContact CE2-CB 4.32Å; F234-V296 HydrophobicContact CE2-CG2 4.18Å; F234-V296 HydrophobicContact CZ-CB 3.84Å; F234-V296 HydrophobicContact CZ-CG1 4.09Å; F234-V296 HydrophobicContact CZ-CG2 3.96Å; F234-V296 PolarHBondContact N-O 3.15Å; F234-V296 PolarHBondContact O-N 3.4Å; F234-L360 HydrophobicContact CD2-CD2 4.21Å; F234-S361 CarbonylContact C-O 3.44Å; F234-V363 HydrophobicContact CB-CB 4.28Å; F234-V363 HydrophobicContact CB-CG2 3.83Å
235S96Very high94.8Very high6 Ų638.6 Ų38.64%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-128.5148168.4-59.40000109.5H294 L360 S361S235-H294 CarbonylContact C-O 3.2Å; S235-H294 WeakPolarHBondContact CA-O 3.25Å; S235-H294 VanDerWaalsContact CB-O 3.31Å; S235-H294 WeakPolarHBondContact CB-O 3.29Å; S235-L360 WeakPolarHBondContact O-CA 3.21Å; S235-S361 PolarHBondContact N-O 2.82Å; S235-S361 PolarHBondContact O-N 2.94Å
236F96.1Very high95.4Very high2 Ų234.1 Ų34.11%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-140.2149.3-179.273.7-84000111.3F234 T238 L245 V260 L266 M288 P293 H294 V296 C359 L360F234-F236 HydrophobicContact CD2-CB 4.48Å; F234-F236 HydrophobicContact CD2-CD1 4.32Å; F234-F236 HydrophobicContact CE2-CB 4.45Å; F234-F236 AromaticContact CE2-CD1 3.78Å; F234-F236 HydrophobicContact CE2-CD1 3.78Å; F234-F236 HydrophobicContact CE2-CG 4.45Å; F236-T238 HydrophobicContact CD2-CG2 4.12Å; F236-T238 HydrophobicContact CE2-CG2 4.25Å; F236-L245 HydrophobicContact CB-CD2 4.1Å; F236-L245 HydrophobicContact CD1-CD1 3.75Å; F236-L245 HydrophobicContact CD2-CD1 4.02Å; F236-L245 HydrophobicContact CD2-CD2 3.78Å; F236-L245 HydrophobicContact CE1-CD1 3.71Å; F236-L245 HydrophobicContact CE2-CD1 4Å; F236-L245 HydrophobicContact CE2-CD2 4.35Å; F236-L245 HydrophobicContact CG-CD1 3.9Å; F236-L245 HydrophobicContact CG-CD2 3.9Å; F236-L245 HydrophobicContact CZ-CD1 3.84Å; F236-V260 HydrophobicContact CE2-CG2 4.2Å; F236-V260 HydrophobicContact CZ-CG2 4.48Å; F236-L266 HydrophobicContact CE1-CD1 4.29Å; F236-L266 HydrophobicContact CZ-CD1 4.26Å; F236-M288 HydrophobicContact CE2-CB 4.35Å; F236-M288 HydrophobicContact CZ-CB 4.03Å; F236-P293 WeakPolarHBondContact O-CA 3.35Å; F236-H294 HydrophobicContact CD1-CB 4.19Å; F236-H294 HydrophobicContact CE1-CB 3.74Å; F236-H294 HydrophobicContact CZ-CB 3.93Å; F236-H294 PolarHBondContact N-O 3.18Å; F236-H294 PolarHBondContact O-N 2.77Å; F236-V296 HydrophobicContact CD1-CG2 4.07Å; F236-V296 HydrophobicContact CE1-CG2 3.69Å; F236-C359 CarbonylContact C-O 3.56Å; F236-C359 WeakPolarHBondContact CA-O 3.33Å; F236-L360 HydrophobicContact CB-CD2 3.69Å
237S95.4Very high95.8Very high21 Ų2130.8 Ų30.815%0.14717%0.168CC..EExtended strand (participates in β ladder)trans-132.6131.216472.20000109.5Q292 G358 C359S237-Q292 WeakPolarHBondContact CB-O 3.19Å; S237-G358 CarbonylContact O-C 3.24Å; S237-G358 VanDerWaalsContact O-CA 3.25Å; S237-G358 WeakPolarHBondContact O-CA 3.47Å; S237-C359 PolarHBondContact N-O 2.62Å; S237-C359 PolarHBondContact O-N 3.19Å; S237-C359 WeakPolarHBondContact OG-CB 3.42Å
238T95.1Very high95.9Very high4 Ų429.4 Ų29.43%0.02516%0.161CC..  trans-154.5154.4178.5-172.40000111.2F236 K240 A289 N290 G291 F356 T357F236-T238 HydrophobicContact CD2-CG2 4.12Å; F236-T238 HydrophobicContact CE2-CG2 4.25Å; T238-K240 PolarHBondContact OG1-N 2.97Å; T238-A289 HydrophobicContact CG2-CB 4.19Å; T238-A289 CarbonylContact O-C 3.05Å; T238-A289 WeakPolarHBondContact O-CA 3.4Å; T238-N290 PolarHBondContact O-N 2.83Å; T238-G291 WeakPolarHBondContact O-CA 3.22Å; T238-G291 PolarHBondContact O-N 2.77Å; T238-F356 HydrophobicContact CG2-CE2 4.22Å; T238-T357 WeakPolarHBondContact CB-O 3.41Å; T238-T357 PolarHBondContact OG1-O 2.97Å
239T94.8Very high96Very high105 Ų10527.7 Ų27.764%0.64415%0.146SC*.SBendtrans-112.87169.354.30000111.6
240K94.8Very high95.8Very high102 Ų10223 Ų2344%0.44313%0.126SC..  trans-110.1132.7-176.7-60.1-65.9-168.8167.10110.5T238 C243T238-K240 PolarHBondContact OG1-N 2.97Å; K240-C243 PolarHBondContact O-SG 2.89Å; K240-C243 VanDerWaalsContact O-SG 3.37Å
241A94.4Very high95.6Very high44 Ų4428.1 Ų28.136%0.36415%0.148SC..  trans-144.9144.917100000109.3V260 A289A241-V260 HydrophobicContact CB-CG1 3.97Å; A241-A289 HydrophobicContact CB-CB 3.97Å
242P94.4Very high95.3Very high44 Ų4429 Ų2929%0.28616%0.157SC..SBendcis-75155.8-4.733-36000112.9V260 P262 Y351P242-V260 WeakPolarHBondContact CA-O 3.41Å; P242-V260 WeakPolarHBondContact CB-O 3.38Å; P242-P262 HydrophobicContact CB-CG 4.01Å; P242-P262 HydrophobicContact CG-CG 4.07Å; P242-Y351 HydrophobicContact CB-CD1 3.46Å; P242-Y351 VanDerWaalsContact CB-CD1 3.46Å; P242-Y351 HydrophobicContact CB-CE1 3.98Å; P242-Y351 HydrophobicContact CB-CG 3.83Å; P242-Y351 HydrophobicContact CG-CD1 3.49Å; P242-Y351 VanDerWaalsContact CG-CD1 3.49Å; P242-Y351 HydrophobicContact CG-CE1 4.02Å; P242-Y351 HydrophobicContact CG-CG 4.26Å
243C95.2Very high95Very high0 Ų034.1 Ų34.10%019%0.188CC..EExtended strand (participates in β ladder)trans-157156172.760.50000111.9K240 L259 V260 F356K240-C243 PolarHBondContact O-SG 2.89Å; K240-C243 VanDerWaalsContact O-SG 3.37Å; C243-L259 CarbonylContact O-C 3.51Å; C243-L259 WeakPolarHBondContact O-CA 3.35Å; C243-L259 WeakPolarHBondContact O-CB 3.48Å; C243-V260 PolarHBondContact N-O 3.31Å; C243-V260 VanDerWaalsContact N-O 3.14Å; C243-V260 PolarHBondContact O-N 3.03Å; C243-F356 HydrophobicContact CB-CB 4.35Å; C243-F356 HydrophobicContact CB-CD2 4.46Å
244I95.8Very high94.8Very high1 Ų130.7 Ų30.71%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-95.8122.7174.4-59.9162.8000108.6L259 V338 I348 N352 F356I244-L259 HydrophobicContact CG1-CB 4.47Å; I244-V338 HydrophobicContact CB-CG2 4.49Å; I244-V338 HydrophobicContact CD1-CG2 3.84Å; I244-V338 HydrophobicContact CG2-CG2 4.01Å; I244-I348 HydrophobicContact CD1-CG2 3.66Å; I244-I348 WeakPolarHBondContact CD1-O 3.14Å; I244-N352 HydrophobicContact CD1-CB 3.85Å; I244-F356 VanDerWaalsContact O-CB 3.24Å; I244-F356 WeakPolarHBondContact O-CB 3.47Å
245L96.6Very high94.8Very high1 Ų131.1 Ų31.11%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-85.4-43.3-179.9-60.1173.5000111.2F234 F236 V258 V260 L266 F356F234-L245 HydrophobicContact CE2-CB 3.93Å; F234-L245 HydrophobicContact CE2-CD1 3.99Å; F234-L245 HydrophobicContact CZ-CB 4.23Å; F234-L245 HydrophobicContact CZ-CD1 4.27Å; F236-L245 HydrophobicContact CB-CD2 4.1Å; F236-L245 HydrophobicContact CD1-CD1 3.75Å; F236-L245 HydrophobicContact CD2-CD1 4.02Å; F236-L245 HydrophobicContact CD2-CD2 3.78Å; F236-L245 HydrophobicContact CE1-CD1 3.71Å; F236-L245 HydrophobicContact CE2-CD1 4Å; F236-L245 HydrophobicContact CE2-CD2 4.35Å; F236-L245 HydrophobicContact CG-CD1 3.9Å; F236-L245 HydrophobicContact CG-CD2 3.9Å; F236-L245 HydrophobicContact CZ-CD1 3.84Å; L245-V258 WeakPolarHBondContact CB-O 3.29Å; L245-V258 HydrophobicContact CD1-CG1 4.4Å; L245-V258 PolarHBondContact N-O 3.34Å; L245-V260 HydrophobicContact CD1-CG2 3.85Å; L245-V260 HydrophobicContact CD2-CG2 4.35Å; L245-V260 HydrophobicContact CG-CG2 4.18Å; L245-L266 HydrophobicContact CD1-CD1 3.68Å; L245-F356 HydrophobicContact CD2-CD2 3.46Å; L245-F356 VanDerWaalsContact CD2-CD2 3.46Å; L245-F356 HydrophobicContact CD2-CE2 3.44Å; L245-F356 VanDerWaalsContact CD2-CE2 3.44Å; L245-F356 HydrophobicContact CD2-CG 4.46Å; L245-F356 HydrophobicContact CD2-CZ 4.47Å
246L97.4Very high94.8Very high0 Ų030.9 Ų30.90%018%0.176CC..EExtended strand (participates in β ladder)trans-151.6135.8-176.5-178.9148.9000109.4I232 F234 I248 A257 V258 L333 L335 V363I232-L246 HydrophobicContact CG2-CD1 3.9Å; F234-L246 HydrophobicContact CD1-CD1 4.38Å; L246-I248 HydrophobicContact CD2-CD1 3.97Å; L246-I248 HydrophobicContact CD2-CG1 3.67Å; L246-A257 WeakPolarHBondContact O-CA 3.49Å; L246-V258 PolarHBondContact N-O 2.76Å; L246-V258 PolarHBondContact O-N 2.86Å; L246-L333 HydrophobicContact CD1-CD1 4.34Å; L246-L335 HydrophobicContact CB-CD2 4.31Å; L246-L335 HydrophobicContact CD1-CD2 4.25Å; L246-L335 HydrophobicContact CG-CD2 4.29Å; L246-V363 HydrophobicContact CD1-CG1 4.29Å
247Y97.3Very high94.8Very high7 Ų730.8 Ų30.83%0.02718%0.176CC..EExtended strand (participates in β ladder)trans-136.2129.8174.5176.9-104.9000110.1F255 L256 A257 L333 F334 V338 E340 I348Y247-F255 HydrophobicContact CE2-CB 3.79Å; Y247-F255 AromaticContact CE2-CD2 3.82Å; Y247-F255 HydrophobicContact CE2-CD2 3.82Å; Y247-F255 AromaticContact CE2-CG 3.95Å; Y247-F255 HydrophobicContact CE2-CG 3.95Å; Y247-L256 CarbonylContact C-O 3.59Å; Y247-L256 WeakPolarHBondContact CA-O 3.4Å; Y247-A257 HydrophobicContact CD2-CB 3.94Å; Y247-L333 CarbonylContact O-C 3.15Å; Y247-L333 WeakPolarHBondContact O-CA 3.21Å; Y247-F334 AromaticContact CD1-CD2 3.74Å; Y247-F334 HydrophobicContact CD1-CD2 3.74Å; Y247-F334 HydrophobicContact CD1-CE2 4.34Å; Y247-F334 HydrophobicContact CD1-CG 4.42Å; Y247-F334 HydrophobicContact CE1-CD2 4.39Å; Y247-F334 PolarHBondContact N-O 2.92Å; Y247-F334 PolarHBondContact O-N 2.76Å; Y247-V338 HydrophobicContact CD1-CB 4.47Å; Y247-V338 HydrophobicContact CD1-CG1 3.4Å; Y247-V338 VanDerWaalsContact CD1-CG1 3.4Å; Y247-V338 HydrophobicContact CD1-CG2 4.2Å; Y247-V338 HydrophobicContact CE1-CG1 3.8Å; Y247-V338 HydrophobicContact CG-CG1 4.08Å; Y247-V338 HydrophobicContact CG-CG2 4.11Å; Y247-E340 HydrophobicContact CE1-CB 4.4Å; Y247-I348 HydrophobicContact CD2-CG2 4.18Å; Y247-I348 HydrophobicContact CE2-CG1 4.43Å; Y247-I348 HydrophobicContact CE2-CG2 4.23Å
248I96.7Very high94.9Very high0 Ų029.8 Ų29.80%017%0.169CC..EExtended strand (participates in β ladder)trans-117.8120175.8-50.4-177.7000108.2F200 I232 L246 F255 L256 F327 S332 L333 F365F200-I248 HydrophobicContact CE2-CG2 3.76Å; F200-I248 HydrophobicContact CZ-CG2 4.07Å; I232-I248 HydrophobicContact CD1-CD1 4.13Å; L246-I248 HydrophobicContact CD2-CD1 3.97Å; L246-I248 HydrophobicContact CD2-CG1 3.67Å; I248-F255 VanDerWaalsContact O-CA 3.29Å; I248-F255 WeakPolarHBondContact O-CA 3.36Å; I248-F255 WeakPolarHBondContact O-CB 3.35Å; I248-L256 HydrophobicContact CB-CB 4.44Å; I248-L256 PolarHBondContact N-O 3.47Å; I248-L256 PolarHBondContact O-N 2.94Å; I248-F327 HydrophobicContact CB-CE1 4.31Å; I248-F327 HydrophobicContact CB-CZ 4.27Å; I248-F327 HydrophobicContact CG2-CE1 3.84Å; I248-F327 HydrophobicContact CG2-CZ 3.83Å; I248-S332 CarbonylContact C-O 3.59Å; I248-S332 WeakPolarHBondContact CA-O 3.33Å; I248-L333 HydrophobicContact CD1-CD1 4.24Å; I248-L333 HydrophobicContact CG1-CB 4.38Å; I248-L333 HydrophobicContact CG1-CD1 4.33Å; I248-L333 HydrophobicContact CG1-CG 4.18Å; I248-F365 HydrophobicContact CD1-CD2 3.25Å; I248-F365 HydrophobicContact CD1-CE2 3.28Å; I248-F365 HydrophobicContact CD1-CG 3.92Å; I248-F365 HydrophobicContact CD1-CZ 3.94Å
249S95.2Very high95Very high3 Ų329.6 Ų29.62%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-94.7162.1176.164.60000111.8K331 S332 E340S249-K331 PolarHBondContact O-N 2.85Å; S249-S332 PolarHBondContact N-O 3.14Å; S249-S332 PolarHBondContact O-N 2.79Å; S249-S332 PolarHBondContact OG-N 2.89Å; S249-S332 PolarHBondContact OG-O 2.65Å; S249-E340 WeakPolarHBondContact CB-OE2 3.21Å; S249-E340 PolarHBondContact OG-OE2 3.16Å
250S93.6Very high95Very high12 Ų1224.6 Ų24.68%0.08414%0.137CC..EExtended strand (participates in β ladder)trans-118.1166.5170.7176.60000111.5T252 D254 N328 S329S250-T252 PolarHBondContact OG-N 2.78Å; S250-T252 PolarHBondContact OG-OG1 2.55Å; S250-D254 WeakPolarHBondContact CB-O 3.35Å; S250-D254 PolarHBondContact N-O 2.81Å; S250-N328 WeakPolarHBondContact CB-O 3.35Å; S250-N328 PolarHBondContact OG-O 3.19Å; S250-S329 WeakPolarHBondContact CA-O 3.31Å; S250-S329 PolarHBondContact OG-O 3.09Å
251F90.9Very high95Very high110 Ų11021.6 Ų21.648%0.48212%0.124SC..SBendtrans-72.5-17160.9-68.8-79000112.9H224 S329 K331H224-F251 AromaticContact CE1-CD2 3.44Å; H224-F251 VanDerWaalsContact CE1-CD2 3.44Å; H224-F251 WeakPolarHBondContact CE1-CD2 3.27Å; H224-F251 AromaticContact CE1-CE2 2.95Å; H224-F251 WeakPolarHBondContact CE1-CE2 3.32Å; H224-F251 AromaticContact CE1-CZ 3.55Å; H224-F251 AromaticContact ND1-CD2 3.64Å; H224-F251 AromaticContact ND1-CE2 3.35Å; H224-F251 VanDerWaalsContact ND1-CE2 3.35Å; H224-F251 WeakPolarHBondContact ND1-CE2 3.41Å; H224-F251 AromaticContact NE2-CD2 3.71Å; H224-F251 AromaticContact NE2-CE2 3.63Å; F251-S329 WeakPolarHBondContact CD2-O 3.44Å; F251-S329 PolarHBondContact N-O 3.19Å; F251-K331 HydrophobicContact CD1-CB 4.48Å; F251-K331 HydrophobicContact CD1-CD 3.96Å; F251-K331 HydrophobicContact CD1-CG 4.21Å; F251-K331 HydrophobicContact CD2-CB 3.69Å; F251-K331 HydrophobicContact CD2-CG 4.14Å; F251-K331 HydrophobicContact CE1-CB 4.43Å; F251-K331 HydrophobicContact CE1-CD 3.84Å; F251-K331 HydrophobicContact CE1-CG 3.83Å; F251-K331 HydrophobicContact CE2-CB 3.58Å; F251-K331 HydrophobicContact CE2-CD 4.47Å; F251-K331 HydrophobicContact CE2-CG 3.7Å; F251-K331 HydrophobicContact CG-CB 4.15Å; F251-K331 HydrophobicContact CG-CD 4.37Å; F251-K331 HydrophobicContact CG-CG 4.38Å; F251-K331 HydrophobicContact CZ-CB 4.01Å; F251-K331 HydrophobicContact CZ-CD 4.13Å; F251-K331 HydrophobicContact CZ-CG 3.57Å
252T90.3Very high95Very high67 Ų6723.3 Ų23.341%0.41113%0.131SC..SBendtrans-89.5-15616972.70000110.2S250 D254 N328S250-T252 PolarHBondContact OG-N 2.78Å; S250-T252 PolarHBondContact OG-OG1 2.55Å; T252-D254 VanDerWaalsContact C-N 3.34Å; T252-D254 WeakPolarHBondContact OG1-CB 3.36Å; T252-D254 VanDerWaalsContact OG1-CG 3.23Å; T252-D254 PolarHBondContact OG1-N 2.69Å; T252-D254 VanDerWaalsContact OG1-N 3.13Å; T252-D254 PolarHBondContact OG1-OD1 3.36Å; T252-D254 PolarHBondContact OG1-OD2 2.8Å; T252-N328 HydrophobicContact CG2-CB 3.89Å
253T90.2Very high94.9Very high107 Ų10726.2 Ų26.266%0.65615%0.148SC*.SBendtrans-89.5-2.6171.550.10000113.5N271T253-N271 PolarHBondContact O-ND2 3.15Å; T253-N271 VanDerWaalsContact O-ND2 3.11Å
254D94.3Very high94.8Very high7 Ų726.2 Ų26.24%0.03715%0.149CC..  trans-71.8143.2-174-59.1-2.5000110.5S250 T252 N271 F327 N328S250-D254 WeakPolarHBondContact CB-O 3.35Å; S250-D254 PolarHBondContact N-O 2.81Å; T252-D254 VanDerWaalsContact C-N 3.34Å; T252-D254 WeakPolarHBondContact OG1-CB 3.36Å; T252-D254 VanDerWaalsContact OG1-CG 3.23Å; T252-D254 PolarHBondContact OG1-N 2.69Å; T252-D254 VanDerWaalsContact OG1-N 3.13Å; T252-D254 PolarHBondContact OG1-OD1 3.36Å; T252-D254 PolarHBondContact OG1-OD2 2.8Å; D254-N271 CarbonylContact C-O 3.55Å; D254-N271 WeakPolarHBondContact CA-O 3.17Å; D254-N271 VanDerWaalsContact CB-O 3.31Å; D254-N271 WeakPolarHBondContact CB-O 3.36Å; D254-F327 HydrophobicContact CB-CD2 3.54Å; D254-F327 HydrophobicContact CB-CE2 3.59Å; D254-N328 VanDerWaalsContact OD2-CB 3.3Å; D254-N328 WeakPolarHBondContact OD2-CB 3.11Å; D254-N328 PolarHBondContact OD2-N 2.72Å; D254-N328 PolarHBondContact OD2-ND2 2.69Å
255F95.4Very high94.7Very high11 Ų1127 Ų275%0.04815%0.154CC..EExtended strand (participates in β ladder)trans-155161.3173.770.8-95.9000111.9Y247 I248 A257 R269 N271 P278 D345 I348Y247-F255 HydrophobicContact CE2-CB 3.79Å; Y247-F255 AromaticContact CE2-CD2 3.82Å; Y247-F255 HydrophobicContact CE2-CD2 3.82Å; Y247-F255 AromaticContact CE2-CG 3.95Å; Y247-F255 HydrophobicContact CE2-CG 3.95Å; I248-F255 VanDerWaalsContact O-CA 3.29Å; I248-F255 WeakPolarHBondContact O-CA 3.36Å; I248-F255 WeakPolarHBondContact O-CB 3.35Å; F255-A257 HydrophobicContact CD2-CB 4.39Å; F255-A257 HydrophobicContact CE2-CB 4.46Å; F255-R269 HydrophobicContact CE2-CB 4.42Å; F255-N271 HydrophobicContact CD1-CB 3.57Å; F255-N271 HydrophobicContact CE1-CB 3.4Å; F255-N271 VanDerWaalsContact CE1-CB 3.4Å; F255-N271 HydrophobicContact CE2-CB 4.4Å; F255-N271 HydrophobicContact CG-CB 4.15Å; F255-N271 HydrophobicContact CZ-CB 3.86Å; F255-N271 PolarHBondContact N-O 3.38Å; F255-N271 PolarHBondContact O-N 2.77Å; F255-P278 HydrophobicContact CE1-CG 4.09Å; F255-P278 HydrophobicContact CZ-CB 3.99Å; F255-P278 HydrophobicContact CZ-CG 3.58Å; F255-D345 HydrophobicContact CE1-CB 3.87Å; F255-D345 HydrophobicContact CZ-CB 3.69Å; F255-I348 HydrophobicContact CE2-CG1 4.43Å
256L96.3Very high94.7Very high0 Ų027 Ų270%015%0.154CC..EExtended strand (participates in β ladder)trans-130.4131.7169.9172.554.6000109.1I232 Y247 I248 I268 R269 Y270 F327I232-L256 HydrophobicContact CD1-CD2 3.16Å; I232-L256 HydrophobicContact CD1-CG 4.22Å; Y247-L256 CarbonylContact C-O 3.59Å; Y247-L256 WeakPolarHBondContact CA-O 3.4Å; I248-L256 HydrophobicContact CB-CB 4.44Å; I248-L256 PolarHBondContact N-O 3.47Å; I248-L256 PolarHBondContact O-N 2.94Å; L256-I268 HydrophobicContact CD1-CG2 3.98Å; L256-R269 WeakPolarHBondContact CA-O 3.46Å; L256-R269 VanDerWaalsContact CD1-O 3.29Å; L256-R269 WeakPolarHBondContact CD1-O 3.5Å; L256-Y270 HydrophobicContact CB-CE1 4.37Å; L256-Y270 HydrophobicContact CD1-CD1 3.88Å; L256-Y270 HydrophobicContact CD1-CD2 3.63Å; L256-Y270 HydrophobicContact CD1-CE1 3.63Å; L256-Y270 HydrophobicContact CD1-CE2 3.37Å; L256-Y270 HydrophobicContact CD1-CG 3.89Å; L256-Y270 HydrophobicContact CD2-CE1 3.69Å; L256-Y270 HydrophobicContact CD2-CE2 4.42Å; L256-Y270 WeakPolarHBondContact CD2-OH 3.04Å; L256-Y270 HydrophobicContact CG-CE1 4.11Å; L256-F327 HydrophobicContact CB-CE1 4.46Å
257A97.1Very high94.7Very high0 Ų027.3 Ų27.30%016%0.155CC..EExtended strand (participates in β ladder)trans-131.914317700000111.3L246 Y247 F255 I268 R269 I348L246-A257 WeakPolarHBondContact O-CA 3.49Å; Y247-A257 HydrophobicContact CD2-CB 3.94Å; F255-A257 HydrophobicContact CD2-CB 4.39Å; F255-A257 HydrophobicContact CE2-CB 4.46Å; A257-I268 CarbonylContact O-C 3.45Å; A257-I268 WeakPolarHBondContact O-CA 3.49Å; A257-R269 HydrophobicContact CB-CB 4.37Å; A257-R269 PolarHBondContact N-O 3.15Å; A257-R269 PolarHBondContact O-N 3.26Å; A257-I348 HydrophobicContact CB-CD1 3.44Å; A257-I348 VanDerWaalsContact CB-CD1 3.44Å; A257-I348 HydrophobicContact CB-CG1 4.43Å
258V97.6Very high94.6Very high0 Ų027 Ų270%015%0.154CC..EExtended strand (participates in β ladder)trans-122.7125166.8-168.40000108.1F234 L245 L246 L266 Q267 I268 I298F234-V258 HydrophobicContact CE1-CB 4.46Å; F234-V258 HydrophobicContact CE1-CG1 4.39Å; F234-V258 HydrophobicContact CE1-CG2 4.33Å; F234-V258 HydrophobicContact CZ-CB 4.12Å; F234-V258 HydrophobicContact CZ-CG1 3.81Å; F234-V258 HydrophobicContact CZ-CG2 4.47Å; L245-V258 WeakPolarHBondContact CB-O 3.29Å; L245-V258 HydrophobicContact CD1-CG1 4.4Å; L245-V258 PolarHBondContact N-O 3.34Å; L246-V258 PolarHBondContact N-O 2.76Å; L246-V258 PolarHBondContact O-N 2.86Å; V258-L266 HydrophobicContact CG1-CD1 3.78Å; V258-L266 HydrophobicContact CG1-CG 4.32Å; V258-Q267 WeakPolarHBondContact CA-O 3.09Å; V258-I268 HydrophobicContact CG1-CG1 4.17Å; V258-I268 HydrophobicContact CG2-CG1 4.39Å; V258-I268 HydrophobicContact CG2-CG2 4.47Å; V258-I298 HydrophobicContact CG2-CD1 3.74Å
259L96.1Very high94.6Very high0 Ų027.3 Ų27.30%016%0.155CC..EExtended strand (participates in β ladder)trans-143.2159.2-173.266.987.6000111.9C243 I244 K261 Q267 I348 Y351C243-L259 CarbonylContact O-C 3.51Å; C243-L259 WeakPolarHBondContact O-CA 3.35Å; C243-L259 WeakPolarHBondContact O-CB 3.48Å; I244-L259 HydrophobicContact CG1-CB 4.47Å; L259-K261 HydrophobicContact CD1-CG 3.85Å; L259-Q267 HydrophobicContact CD1-CB 3.95Å; L259-Q267 HydrophobicContact CG-CB 4.24Å; L259-Q267 PolarHBondContact N-O 3.22Å; L259-Q267 PolarHBondContact O-N 3.37Å; L259-I348 HydrophobicContact CD2-CD1 3.78Å; L259-Y351 HydrophobicContact CD1-CD2 3.94Å; L259-Y351 HydrophobicContact CD1-CE2 4.15Å; L259-Y351 HydrophobicContact CD2-CD2 4.09Å
260V95.8Very high94.7Very high0 Ų027.3 Ų27.30%016%0.155CC..EExtended strand (participates in β ladder)trans-101.6122.9169.6-175.20000108F236 A241 P242 C243 L245 L266 A289F236-V260 HydrophobicContact CE2-CG2 4.2Å; F236-V260 HydrophobicContact CZ-CG2 4.48Å; A241-V260 HydrophobicContact CB-CG1 3.97Å; P242-V260 WeakPolarHBondContact CA-O 3.41Å; P242-V260 WeakPolarHBondContact CB-O 3.38Å; C243-V260 PolarHBondContact N-O 3.31Å; C243-V260 VanDerWaalsContact N-O 3.14Å; C243-V260 PolarHBondContact O-N 3.03Å; L245-V260 HydrophobicContact CD1-CG2 3.85Å; L245-V260 HydrophobicContact CD2-CG2 4.35Å; L245-V260 HydrophobicContact CG-CG2 4.18Å; V260-L266 HydrophobicContact CG2-CD1 4.5Å; V260-A289 HydrophobicContact CG1-CB 4.41Å
261K94.5Very high94.8Very high40 Ų4028 Ų2817%0.17416%0.157CC..  trans-70.2164.9177.6-69.7-164.9-61-169.10111.2L259 T263 G264 S265 Q267 D282L259-K261 HydrophobicContact CD1-CG 3.85Å; K261-T263 WeakPolarHBondContact CB-OG1 3.44Å; K261-T263 PolarHBondContact O-N 3.31Å; K261-G264 WeakPolarHBondContact O-CA 3.5Å; K261-G264 PolarHBondContact O-N 3.45Å; K261-S265 WeakPolarHBondContact CE-OG 3.49Å; K261-S265 PolarHBondContact N-O 2.9Å; K261-Q267 HydrophobicContact CD-CB 4.22Å; K261-Q267 HydrophobicContact CG-CB 4.01Å; K261-D282 WeakPolarHBondContact CE-OD1 3.3Å; K261-D282 IonicContact NZ-OD1 3.57Å; K261-D282 PolarHBondContact NZ-OD1 3.42Å; K261-D282 IonicContact NZ-OD2 3.9Å; K261-D282 PolarHBondContact NZ-OD2 3.18Å
262P93.7Very high95Very high80 Ų8022.8 Ų22.852%0.51914%0.135SC..THydrogen-bonded Turntrans-56.6-25.1174.5-2534.4000114P242 G264 Y351P242-P262 HydrophobicContact CB-CG 4.01Å; P242-P262 HydrophobicContact CG-CG 4.07Å; P262-G264 PolarHBondContact O-N 3.04Å; P262-Y351 HydrophobicContact CG-CE1 3.94Å
263T92.9Very high95Very high104 Ų10420.1 Ų20.164%0.63812%0.121SC*.THydrogen-bonded Turntrans-72-11.6174.251.20000113.6K261 S265K261-T263 WeakPolarHBondContact CB-OG1 3.44Å; K261-T263 PolarHBondContact O-N 3.31Å; T263-S265 VanDerWaalsContact C-N 3.33Å; T263-S265 PolarHBondContact OG1-OG 2.04Å
264G93.3Very high94.9Very high1 Ų117.6 Ų17.61%0.0112%0.116CC..SBendtrans85.6-1.3-173.900000114.6K261 P262 N287 M288K261-G264 WeakPolarHBondContact O-CA 3.5Å; K261-G264 PolarHBondContact O-N 3.45Å; P262-G264 PolarHBondContact O-N 3.04Å; G264-N287 VanDerWaalsContact CA-OD1 3.23Å; G264-N287 WeakPolarHBondContact CA-OD1 3.38Å; G264-M288 WeakPolarHBondContact O-CB 3.33Å; G264-M288 PolarHBondContact O-N 2.91Å
265S94.4Very high94.7Very high16 Ų1619 Ų1911%0.11212%0.124CC..  trans-81.6147.1176.852.50000112.1K261 T263K261-S265 WeakPolarHBondContact CE-OG 3.49Å; K261-S265 PolarHBondContact N-O 2.9Å; T263-S265 VanDerWaalsContact C-N 3.33Å; T263-S265 PolarHBondContact OG1-OG 2.04Å
266L96.1Very high94.3Very high1 Ų130.7 Ų30.71%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-78134.7178.1-171.272.8000109.8F236 L245 V258 V260 V283 M288 V296 L309F236-L266 HydrophobicContact CE1-CD1 4.29Å; F236-L266 HydrophobicContact CZ-CD1 4.26Å; L245-L266 HydrophobicContact CD1-CD1 3.68Å; V258-L266 HydrophobicContact CG1-CD1 3.78Å; V258-L266 HydrophobicContact CG1-CG 4.32Å; V260-L266 HydrophobicContact CG2-CD1 4.5Å; L266-V283 HydrophobicContact CB-CB 4.24Å; L266-V283 HydrophobicContact CB-CG2 4.38Å; L266-V283 HydrophobicContact CD2-CG2 4.43Å; L266-V283 WeakPolarHBondContact O-CB 3.31Å; L266-V283 PolarHBondContact O-N 3.46Å; L266-M288 HydrophobicContact CB-CG 4.36Å; L266-V296 HydrophobicContact CD2-CG1 4.37Å; L266-V296 HydrophobicContact CD2-CG2 4.01Å; L266-L309 HydrophobicContact CD2-CD1 4.04Å
267Q96.3Very high94Very high7 Ų738 Ų383%0.03320%0.202CC..EExtended strand (participates in β ladder)trans-128.5133.6175.1-175.5-177.765.600110.1V258 L259 K261 R269 I281 D282V258-Q267 WeakPolarHBondContact CA-O 3.09Å; L259-Q267 HydrophobicContact CD1-CB 3.95Å; L259-Q267 HydrophobicContact CG-CB 4.24Å; L259-Q267 PolarHBondContact N-O 3.22Å; L259-Q267 PolarHBondContact O-N 3.37Å; K261-Q267 HydrophobicContact CD-CB 4.22Å; K261-Q267 HydrophobicContact CG-CB 4.01Å; Q267-R269 HydrophobicContact CG-CG 3.92Å; Q267-I281 WeakPolarHBondContact CA-O 3.49Å; Q267-D282 VanDerWaalsContact CG-OD1 3.29Å; Q267-D282 WeakPolarHBondContact CG-OD1 3.41Å; Q267-D282 PolarHBondContact NE2-OD1 2.9Å
268I97.1Very high93.9Very high0 Ų039 Ų390%021%0.209CC..EExtended strand (participates in β ladder)trans-111132.9173-56.1159.9000107.5L256 A257 V258 Y270 N280 I281 I298 L307L256-I268 HydrophobicContact CD1-CG2 3.98Å; A257-I268 CarbonylContact O-C 3.45Å; A257-I268 WeakPolarHBondContact O-CA 3.49Å; V258-I268 HydrophobicContact CG1-CG1 4.17Å; V258-I268 HydrophobicContact CG2-CG1 4.39Å; V258-I268 HydrophobicContact CG2-CG2 4.47Å; I268-Y270 HydrophobicContact CG2-CD2 3.97Å; I268-Y270 HydrophobicContact CG2-CE2 3.77Å; I268-N280 CarbonylContact O-C 3.57Å; I268-N280 WeakPolarHBondContact O-CA 3.35Å; I268-I281 HydrophobicContact CB-CB 4.26Å; I268-I281 PolarHBondContact N-O 2.92Å; I268-I281 PolarHBondContact O-N 2.83Å; I268-I298 HydrophobicContact CD1-CD1 3.63Å; I268-I298 HydrophobicContact CD1-CG1 3.88Å; I268-I298 HydrophobicContact CG1-CD1 3.91Å; I268-I298 HydrophobicContact CG2-CD1 4.23Å; I268-L307 HydrophobicContact CD1-CD1 3.77Å; I268-L307 HydrophobicContact CD1-CD2 3.82Å; I268-L307 HydrophobicContact CD1-CG 4.27Å
269R96.4Very high93.8Very high8 Ų842 Ų423%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-127.8125.5-176-53.5-174.972.2-152.32.2110.3F255 L256 A257 Q267 Y279 N280 D345 E347F255-R269 HydrophobicContact CE2-CB 4.42Å; L256-R269 WeakPolarHBondContact CA-O 3.46Å; L256-R269 VanDerWaalsContact CD1-O 3.29Å; L256-R269 WeakPolarHBondContact CD1-O 3.5Å; A257-R269 HydrophobicContact CB-CB 4.37Å; A257-R269 PolarHBondContact N-O 3.15Å; A257-R269 PolarHBondContact O-N 3.26Å; Q267-R269 HydrophobicContact CG-CG 3.92Å; R269-Y279 WeakPolarHBondContact CA-O 3.26Å; R269-N280 VanDerWaalsContact CG-OD1 3.32Å; R269-N280 WeakPolarHBondContact CG-OD1 3.21Å; R269-N280 PolarHBondContact NE-OD1 3.41Å; R269-D345 IonicContact CZ-OD1 3.85Å; R269-D345 IonicContact NH1-OD1 3.88Å; R269-D345 PolarHBondContact NH1-OD1 3.33Å; R269-D345 IonicContact NH2-OD1 3.05Å; R269-D345 PolarHBondContact NH2-OD1 2.61Å; R269-D345 IonicContact NH2-OD2 3.74Å; R269-E347 IonicContact CZ-OE2 3.38Å; R269-E347 IonicContact NE-OE2 3.99Å; R269-E347 PolarHBondContact NE-OE2 2.9Å; R269-E347 VanDerWaalsContact NH1-CB 3.27Å; R269-E347 IonicContact NH1-OE2 3.81Å; R269-E347 PolarHBondContact NH1-OE2 2.76Å; R269-E347 IonicContact NH2-OE2 2.61Å; R269-E347 PolarHBondContact NH2-OE2 2.73Å
270Y96.4Very high93.8Very high3 Ų344.8 Ų44.81%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-115.8128.9177.3-87.6-86.4000110.3E230 L256 I268 L272 P278 Y279 I305 L319E230-Y270 WeakPolarHBondContact OE1-CE1 3.29Å; E230-Y270 PolarHBondContact OE1-OH 2.89Å; L256-Y270 HydrophobicContact CB-CE1 4.37Å; L256-Y270 HydrophobicContact CD1-CD1 3.88Å; L256-Y270 HydrophobicContact CD1-CD2 3.63Å; L256-Y270 HydrophobicContact CD1-CE1 3.63Å; L256-Y270 HydrophobicContact CD1-CE2 3.37Å; L256-Y270 HydrophobicContact CD1-CG 3.89Å; L256-Y270 HydrophobicContact CD2-CE1 3.69Å; L256-Y270 HydrophobicContact CD2-CE2 4.42Å; L256-Y270 WeakPolarHBondContact CD2-OH 3.04Å; L256-Y270 HydrophobicContact CG-CE1 4.11Å; I268-Y270 HydrophobicContact CG2-CD2 3.97Å; I268-Y270 HydrophobicContact CG2-CE2 3.77Å; Y270-L272 HydrophobicContact CD1-CD1 4.42Å; Y270-L272 HydrophobicContact CD1-CD2 3.99Å; Y270-L272 HydrophobicContact CD1-CG 4.21Å; Y270-P278 CarbonylContact O-C 3.54Å; Y270-P278 WeakPolarHBondContact O-CA 3.02Å; Y270-Y279 PolarHBondContact N-O 3.17Å; Y270-Y279 PolarHBondContact O-N 3.09Å; Y270-I305 HydrophobicContact CD2-CD1 3.6Å; Y270-I305 HydrophobicContact CE2-CD1 3.61Å; Y270-I305 HydrophobicContact CE2-CG1 4.22Å; Y270-I305 HydrophobicContact CE2-CG2 4.46Å; Y270-I305 HydrophobicContact CG-CD1 4.27Å; Y270-L319 HydrophobicContact CG-CD2 4.49Å
271N95.5Very high93.8Very high25 Ų2544.9 Ų44.913%0.13424%0.236CC..EExtended strand (participates in β ladder)trans-125.1106.5163.8-176.418.8000107.8T253 D254 F255 P278T253-N271 PolarHBondContact O-ND2 3.15Å; T253-N271 VanDerWaalsContact O-ND2 3.11Å; D254-N271 CarbonylContact C-O 3.55Å; D254-N271 WeakPolarHBondContact CA-O 3.17Å; D254-N271 VanDerWaalsContact CB-O 3.31Å; D254-N271 WeakPolarHBondContact CB-O 3.36Å; F255-N271 HydrophobicContact CD1-CB 3.57Å; F255-N271 HydrophobicContact CE1-CB 3.4Å; F255-N271 VanDerWaalsContact CE1-CB 3.4Å; F255-N271 HydrophobicContact CE2-CB 4.4Å; F255-N271 HydrophobicContact CG-CB 4.15Å; F255-N271 HydrophobicContact CZ-CB 3.86Å; F255-N271 PolarHBondContact N-O 3.38Å; F255-N271 PolarHBondContact O-N 2.77Å; N271-P278 HydrophobicContact CB-CB 4.22Å; N271-P278 HydrophobicContact CB-CG 4.32Å
272L95.1Very high93.8Very high1 Ų146.8 Ų46.81%0.00525%0.248CC..  trans-110.41-179.5-58.5-171.7000112.8Y270 L319 D324 F327Y270-L272 HydrophobicContact CD1-CD1 4.42Å; Y270-L272 HydrophobicContact CD1-CD2 3.99Å; Y270-L272 HydrophobicContact CD1-CG 4.21Å; L272-L319 HydrophobicContact CD1-CD1 3.51Å; L272-L319 HydrophobicContact CG-CD1 4.44Å; L272-D324 WeakPolarHBondContact O-CB 3.41Å; L272-F327 HydrophobicContact CD2-CB 3.75Å; L272-F327 HydrophobicContact CD2-CD2 4.1Å; L272-F327 HydrophobicContact CD2-CG 4.02Å
273G90.6Very high93.7Very high12 Ų1243.2 Ų43.212%0.12423%0.225CC..SBendtrans95.6168.7-168.300000113.5T275 S323 D324G273-T275 PolarHBondContact O-N 2.81Å; G273-T275 VanDerWaalsContact O-N 3.16Å; G273-S323 WeakPolarHBondContact O-CA 3.33Å; G273-D324 VanDerWaalsContact C-OD2 3.25Å; G273-D324 WeakPolarHBondContact CA-OD2 3.45Å; G273-D324 PolarHBondContact O-N 3.06Å; G273-D324 VanDerWaalsContact O-N 3.08Å
274G88.6Confident93.1Very high53 Ų5345.7 Ų45.755%0.54623%0.234SC..SBendtrans81-26.5-179.500000116.1S322 D324G274-S322 CarbonylContact C-O 3.6Å; G274-S322 VanDerWaalsContact C-O 3.24Å; G274-S322 WeakPolarHBondContact CA-O 3.48Å; G274-D324 PolarHBondContact N-OD2 2.87Å
275T89.4Confident92.3Very high36 Ų3648.9 Ų48.922%0.22125%0.249CC..SBendtrans-102.3155.617458.60000112.6G273 E277 P320 S322G273-T275 PolarHBondContact O-N 2.81Å; G273-T275 VanDerWaalsContact O-N 3.16Å; T275-E277 WeakPolarHBondContact CB-O 3.21Å; T275-E277 PolarHBondContact OG1-O 3.11Å; T275-P320 HydrophobicContact CG2-CB 4.38Å; T275-P320 HydrophobicContact CG2-CG 4.48Å; T275-S322 WeakPolarHBondContact CG2-OG 3.29Å
276R87.3Confident91.8Very high257 Ų25758.1 Ų58.197%0.9728%0.281SS*.SBendtrans-74.6-34.2174.1-71.7-176177.4179.9-0.6112.7
277E90.9Very high91.6Very high153 Ų15361.9 Ų61.972%0.71530%0.302SS*.SBendtrans-122.1151.5-178.8-65.9-177171.500109.9T275T275-E277 WeakPolarHBondContact CB-O 3.21Å; T275-E277 PolarHBondContact OG1-O 3.11Å
278P93.7Very high91.5Very high21 Ų2161.9 Ų61.914%0.13630%0.301CS..  trans-60.7145.4173.1-21.132.9000111.9F255 Y270 N271F255-P278 HydrophobicContact CE1-CG 4.09Å; F255-P278 HydrophobicContact CZ-CB 3.99Å; F255-P278 HydrophobicContact CZ-CG 3.58Å; Y270-P278 CarbonylContact O-C 3.54Å; Y270-P278 WeakPolarHBondContact O-CA 3.02Å; N271-P278 HydrophobicContact CB-CB 4.22Å; N271-P278 HydrophobicContact CB-CG 4.32Å
279Y95.7Very high91.4Very high63 Ų6362.4 Ų62.425%0.24731%0.306CS..EExtended strand (participates in β ladder)trans-80.4123.4171.6-178.9-108.7000110.4R269 Y270 I281 H318 L319 P320R269-Y279 WeakPolarHBondContact CA-O 3.26Å; Y270-Y279 PolarHBondContact N-O 3.17Å; Y270-Y279 PolarHBondContact O-N 3.09Å; Y279-I281 HydrophobicContact CD1-CG1 4.07Å; Y279-I281 HydrophobicContact CE1-CD1 4.01Å; Y279-I281 HydrophobicContact CE1-CG1 3.51Å; Y279-H318 PolarHBondContact OH-O 2.79Å; Y279-L319 HydrophobicContact CD1-CD2 3.53Å; Y279-L319 HydrophobicContact CE1-CD2 4.23Å; Y279-L319 HydrophobicContact CG-CD2 4.03Å; Y279-P320 HydrophobicContact CD2-CG 3.71Å; Y279-P320 HydrophobicContact CE2-CG 4.26Å; Y279-P320 HydrophobicContact CG-CG 4.3Å
280N95.8Very high91.2Very high59 Ų5965.1 Ų65.132%0.31632%0.321SS..EExtended strand (participates in β ladder)trans-107.6129.7-177.7-59-27.1000110.5I268 R269I268-N280 CarbonylContact O-C 3.57Å; I268-N280 WeakPolarHBondContact O-CA 3.35Å; R269-N280 VanDerWaalsContact CG-OD1 3.32Å; R269-N280 WeakPolarHBondContact CG-OD1 3.21Å; R269-N280 PolarHBondContact NE-OD1 3.41Å
281I96.2Very high91Very high3 Ų366.7 Ų66.72%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-106.4106.1168.8-58.3168.5000106.9Q267 I268 Y279 V283 I305 Y317Q267-I281 WeakPolarHBondContact CA-O 3.49Å; I268-I281 HydrophobicContact CB-CB 4.26Å; I268-I281 PolarHBondContact N-O 2.92Å; I268-I281 PolarHBondContact O-N 2.83Å; Y279-I281 HydrophobicContact CD1-CG1 4.07Å; Y279-I281 HydrophobicContact CE1-CD1 4.01Å; Y279-I281 HydrophobicContact CE1-CG1 3.51Å; I281-V283 HydrophobicContact CG2-CG2 4.5Å; I281-I305 HydrophobicContact CD1-CB 4.4Å; I281-I305 HydrophobicContact CD1-CD1 3.86Å; I281-I305 HydrophobicContact CD1-CG2 4.09Å; I281-Y317 HydrophobicContact CD1-CD2 4.09Å; I281-Y317 HydrophobicContact CD1-CG 3.87Å; I281-Y317 HydrophobicContact CG1-CD1 4.32Å; I281-Y317 HydrophobicContact CG1-CG 4.16Å; I281-Y317 HydrophobicContact CG2-CD1 3.78Å; I281-Y317 HydrophobicContact CG2-CD2 3.89Å; I281-Y317 HydrophobicContact CG2-CE1 3.6Å; I281-Y317 HydrophobicContact CG2-CE2 3.72Å; I281-Y317 HydrophobicContact CG2-CG 3.92Å
282D94.2Very high90.8Very high79 Ų7970.5 Ų70.542%0.42236%0.355SS..EExtended strand (participates in β ladder)trans-89.8115.1173.6-73.3-45.7000109.6K261 Q267 D284K261-D282 WeakPolarHBondContact CE-OD1 3.3Å; K261-D282 IonicContact NZ-OD1 3.57Å; K261-D282 PolarHBondContact NZ-OD1 3.42Å; K261-D282 IonicContact NZ-OD2 3.9Å; K261-D282 PolarHBondContact NZ-OD2 3.18Å; Q267-D282 VanDerWaalsContact CG-OD1 3.29Å; Q267-D282 WeakPolarHBondContact CG-OD1 3.41Å; Q267-D282 PolarHBondContact NE2-OD1 2.9Å; D282-D284 PolarHBondContact O-N 3.03Å
283V92.1Very high90.7Very high5 Ų573.3 Ų73.33%0.0337%0.373CS..EExtended strand (participates in β ladder)trans-86.9107.7179.2-171.80000108.3L266 I281 H285 L307 L309L266-V283 HydrophobicContact CB-CB 4.24Å; L266-V283 HydrophobicContact CB-CG2 4.38Å; L266-V283 HydrophobicContact CD2-CG2 4.43Å; L266-V283 WeakPolarHBondContact O-CB 3.31Å; L266-V283 PolarHBondContact O-N 3.46Å; I281-V283 HydrophobicContact CG2-CG2 4.5Å; V283-H285 VanDerWaalsContact C-N 3.27Å; V283-H285 HydrophobicContact CG1-CB 4.4Å; V283-H285 PolarHBondContact O-N 3.26Å; V283-L307 HydrophobicContact CG1-CD2 4.45Å; V283-L307 HydrophobicContact CG2-CD2 3.44Å; V283-L307 VanDerWaalsContact CG2-CD2 3.44Å; V283-L309 HydrophobicContact CG1-CD2 3.78Å
284D79.8Confident90.8Very high157 Ų15773.4 Ų73.484%0.8437%0.37SS*.  trans-79.677.8179.7-163.814.3000110.4D282D282-D284 PolarHBondContact O-N 3.03Å
285H77.8Confident91.1Very high67 Ų6773 Ų7331%0.3136%0.359SS..  trans-122.6170.7173.3-77.823.3000109.6V283 M288 L309 Y312V283-H285 VanDerWaalsContact C-N 3.27Å; V283-H285 HydrophobicContact CG1-CB 4.4Å; V283-H285 PolarHBondContact O-N 3.26Å; H285-M288 HydrophobicContact CB-SD 4.19Å; H285-L309 HydrophobicContact CB-CD2 4.45Å; H285-L309 WeakPolarHBondContact CD2-CD2 3.07Å; H285-Y312 AromaticContact CD2-CD2 3.99Å; H285-Y312 AromaticContact CD2-CE2 3.91Å; H285-Y312 AromaticContact NE2-CD2 3.73Å; H285-Y312 AromaticContact NE2-CG 3.89Å
286R84Confident91.5Very high210 Ų21071.2 Ų71.279%0.79235%0.348SS*.SBendtrans-56.6162.7173.4-66.4-176.8179-146.1-0.3110.7M288R286-M288 WeakPolarHBondContact O-CG 3.43Å; R286-M288 PolarHBondContact O-N 2.81Å
287N91.8Very high92Very high81 Ų8160.9 Ų60.943%0.43331%0.312SS..  trans-50.7117.3176.4-179.53.4000111.3G264 A289 N290G264-N287 VanDerWaalsContact CA-OD1 3.23Å; G264-N287 WeakPolarHBondContact CA-OD1 3.38Å; N287-A289 WeakPolarHBondContact OD1-CA 3.19Å; N287-A289 WeakPolarHBondContact OD1-CB 3.3Å; N287-A289 PolarHBondContact OD1-N 2.78Å; N287-N290 PolarHBondContact O-ND2 2.81Å
288M93.4Very high92.3Very high6 Ų653.6 Ų53.63%0.0328%0.278CS..SBendtrans-86.7-13.4-178.5-51.7-61.6-80.900112.2F236 G264 L266 H285 R286 N290 H294 L309F236-M288 HydrophobicContact CE2-CB 4.35Å; F236-M288 HydrophobicContact CZ-CB 4.03Å; G264-M288 WeakPolarHBondContact O-CB 3.33Å; G264-M288 PolarHBondContact O-N 2.91Å; L266-M288 HydrophobicContact CB-CG 4.36Å; H285-M288 HydrophobicContact CB-SD 4.19Å; R286-M288 WeakPolarHBondContact O-CG 3.43Å; R286-M288 PolarHBondContact O-N 2.81Å; M288-N290 PolarHBondContact O-N 2.89Å; M288-N290 VanDerWaalsContact O-N 3.14Å; M288-H294 HydrophobicContact CE-CB 4.15Å; M288-H294 PolarHBondContact O-CD2 3.46Å; M288-L309 HydrophobicContact CE-CD1 3.59Å; M288-L309 HydrophobicContact CE-CD2 3.49Å; M288-L309 VanDerWaalsContact CE-CD2 3.49Å; M288-L309 HydrophobicContact CE-CG 3.84Å; M288-L309 HydrophobicContact SD-CD2 4.43Å
289A94.1Very high92.5Very high11 Ų1154.1 Ų54.19%0.09128%0.281CS..  trans-85.950.1171.200000111.2T238 A241 V260 N287T238-A289 HydrophobicContact CG2-CB 4.19Å; T238-A289 CarbonylContact O-C 3.05Å; T238-A289 WeakPolarHBondContact O-CA 3.4Å; A241-A289 HydrophobicContact CB-CB 3.97Å; V260-A289 HydrophobicContact CG1-CB 4.41Å; N287-A289 WeakPolarHBondContact OD1-CA 3.19Å; N287-A289 WeakPolarHBondContact OD1-CB 3.3Å; N287-A289 PolarHBondContact OD1-N 2.78Å
290N93.1Very high92.6Very high66 Ų6651.1 Ų51.135%0.35327%0.269SS..SBendtrans-102.64.2-175.261.833.8000113.6T238 N287 M288 Q292 H294T238-N290 PolarHBondContact O-N 2.83Å; N287-N290 PolarHBondContact O-ND2 2.81Å; M288-N290 PolarHBondContact O-N 2.89Å; M288-N290 VanDerWaalsContact O-N 3.14Å; N290-Q292 VanDerWaalsContact C-N 3.28Å; N290-Q292 PolarHBondContact O-N 2.86Å; N290-Q292 WeakPolarHBondContact OD1-CA 3.32Å; N290-Q292 WeakPolarHBondContact OD1-CB 3.41Å; N290-Q292 WeakPolarHBondContact OD1-CG 3.36Å; N290-Q292 PolarHBondContact OD1-N 2.84Å; N290-H294 PolarHBondContact ND2-NE2 2.9Å; N290-H294 PolarHBondContact OD1-NE2 2.77Å
291G92Very high92.7Very high35 Ų3552.5 Ų52.536%0.36127%0.274SS..SBendtrans80.3-5.7-17800000115.6T238T238-G291 WeakPolarHBondContact O-CA 3.22Å; T238-G291 PolarHBondContact O-N 2.77Å
292Q91.4Very high92.6Very high105 Ų10557.2 Ų57.249%0.49130%0.295SS..SBendtrans-85.7153.9176.4-56.9-174.611.300111.2S237 N290 H294S237-Q292 WeakPolarHBondContact CB-O 3.19Å; N290-Q292 VanDerWaalsContact C-N 3.28Å; N290-Q292 PolarHBondContact O-N 2.86Å; N290-Q292 WeakPolarHBondContact OD1-CA 3.32Å; N290-Q292 WeakPolarHBondContact OD1-CB 3.41Å; N290-Q292 WeakPolarHBondContact OD1-CG 3.36Å; N290-Q292 PolarHBondContact OD1-N 2.84Å; Q292-H294 PolarHBondContact O-CD2 2.85Å; Q292-H294 PolarHBondContact O-N 3.37Å
293P92.4Very high92.7Very high61 Ų6156.4 Ų56.440%0.39629%0.288SS..  trans-73125.7174.329-33.1000110.9F236F236-P293 WeakPolarHBondContact O-CA 3.35Å
294H93.7Very high93Very high14 Ų1457.9 Ų57.97%0.06530%0.297CS..EExtended strand (participates in β ladder)trans-114.1139.6173.4-68-70.9000110.5S235 F236 M288 N290 Q292 D310S235-H294 CarbonylContact C-O 3.2Å; S235-H294 WeakPolarHBondContact CA-O 3.25Å; S235-H294 VanDerWaalsContact CB-O 3.31Å; S235-H294 WeakPolarHBondContact CB-O 3.29Å; F236-H294 HydrophobicContact CD1-CB 4.19Å; F236-H294 HydrophobicContact CE1-CB 3.74Å; F236-H294 HydrophobicContact CZ-CB 3.93Å; F236-H294 PolarHBondContact N-O 3.18Å; F236-H294 PolarHBondContact O-N 2.77Å; M288-H294 HydrophobicContact CE-CB 4.15Å; M288-H294 PolarHBondContact O-CD2 3.46Å; N290-H294 PolarHBondContact ND2-NE2 2.9Å; N290-H294 PolarHBondContact OD1-NE2 2.77Å; Q292-H294 PolarHBondContact O-CD2 2.85Å; Q292-H294 PolarHBondContact O-N 3.37Å; H294-D310 WeakPolarHBondContact CA-OD1 3.48Å; H294-D310 IonicContact CE1-OD2 3.04Å; H294-D310 IonicContact CG-OD1 2.85Å; H294-D310 IonicContact CG-OD2 2.77Å; H294-D310 IonicContact ND1-OD1 3.71Å; H294-D310 IonicContact ND1-OD2 3.83Å; H294-D310 PolarHBondContact ND1-OD2 2.96Å
295S94.8Very high93.8Very high43 Ų4350.4 Ų50.430%0.30126%0.257SS..EExtended strand (participates in β ladder)trans-107.6128178.1-177.90000110.7D310S295-D310 PolarHBondContact N-OD1 2.52Å; S295-D310 PolarHBondContact O-N 2.97Å
296V96.7Very high94.8Very high0 Ų051.4 Ų51.40%026%0.261CS..EExtended strand (participates in β ladder)trans-119.2124.2180-174.90000108.8R233 F234 F236 L266 I298 L307 L309R233-V296 WeakPolarHBondContact CA-O 3.44Å; F234-V296 HydrophobicContact CD1-CB 4.19Å; F234-V296 HydrophobicContact CE1-CB 3.77Å; F234-V296 HydrophobicContact CE1-CG1 3.85Å; F234-V296 HydrophobicContact CE1-CG2 4.4Å; F234-V296 HydrophobicContact CE2-CB 4.32Å; F234-V296 HydrophobicContact CE2-CG2 4.18Å; F234-V296 HydrophobicContact CZ-CB 3.84Å; F234-V296 HydrophobicContact CZ-CG1 4.09Å; F234-V296 HydrophobicContact CZ-CG2 3.96Å; F234-V296 PolarHBondContact N-O 3.15Å; F234-V296 PolarHBondContact O-N 3.4Å; F236-V296 HydrophobicContact CD1-CG2 4.07Å; F236-V296 HydrophobicContact CE1-CG2 3.69Å; L266-V296 HydrophobicContact CD2-CG1 4.37Å; L266-V296 HydrophobicContact CD2-CG2 4.01Å; V296-I298 HydrophobicContact CG1-CD1 3.88Å; V296-I298 HydrophobicContact CG1-CG1 3.93Å; V296-L307 HydrophobicContact CG1-CD1 4.07Å; V296-L309 HydrophobicContact CG2-CD1 3.86Å
297N97.7Very high95.4Very high40 Ų4041.7 Ų41.721%0.21423%0.225CC..EExtended strand (participates in β ladder)trans-123.4120169.7-176.7-1.9000109.4I232 R233 L307 K308I232-N297 CarbonylContact O-C 3.55Å; I232-N297 WeakPolarHBondContact O-CA 3.4Å; I232-N297 PolarHBondContact O-OD1 3.15Å; R233-N297 HydrophobicContact CG-CB 4.35Å; N297-L307 WeakPolarHBondContact O-CA 2.95Å; N297-K308 HydrophobicContact CB-CB 4.3Å; N297-K308 PolarHBondContact N-O 3.05Å; N297-K308 PolarHBondContact O-N 3.01Å
298I98.3Very high95.7Very high0 Ų042.6 Ų42.60%023%0.225CC..EExtended strand (participates in β ladder)trans-119.4125.1178.6-59.2159.2000107.3E231 I232 V258 I268 V296 I305 F306 L307E231-I298 CarbonylContact C-O 3.5Å; E231-I298 WeakPolarHBondContact CA-O 3.38Å; I232-I298 HydrophobicContact CB-CB 4.28Å; I232-I298 PolarHBondContact N-O 3.19Å; I232-I298 PolarHBondContact O-N 2.82Å; V258-I298 HydrophobicContact CG2-CD1 3.74Å; I268-I298 HydrophobicContact CD1-CD1 3.63Å; I268-I298 HydrophobicContact CD1-CG1 3.88Å; I268-I298 HydrophobicContact CG1-CD1 3.91Å; I268-I298 HydrophobicContact CG2-CD1 4.23Å; V296-I298 HydrophobicContact CG1-CD1 3.88Å; V296-I298 HydrophobicContact CG1-CG1 3.93Å; I298-I305 HydrophobicContact CG2-CG2 3.95Å; I298-F306 CarbonylContact C-O 3.32Å; I298-F306 WeakPolarHBondContact CA-O 3.35Å; I298-L307 HydrophobicContact CG1-CD1 3.82Å
299T98Very high95.7Very high31 Ų3142.6 Ų42.619%0.1923%0.225CC..EExtended strand (participates in β ladder)trans-125.8118.3172.4-49.10000108.5E230 F306E230-T299 WeakPolarHBondContact O-CA 3.44Å; T299-F306 PolarHBondContact N-O 3.48Å; T299-F306 PolarHBondContact O-N 3.4Å
300R97.3Very high95.7Very high0 Ų043.8 Ų43.80%023%0.23CC..EExtended strand (participates in β ladder)trans-102.9134.3172.5-173.4-175.567.791.20.9109.5L227 A228 Q229 E230 E302 T304 I305 T325L227-R300 PolarHBondContact O-NH2 3.31Å; A228-R300 PolarHBondContact O-NH1 3.36Å; Q229-R300 VanDerWaalsContact CA-O 3.22Å; Q229-R300 WeakPolarHBondContact CA-O 3.33Å; Q229-R300 VanDerWaalsContact CG-O 3.3Å; Q229-R300 WeakPolarHBondContact CG-O 3.48Å; E230-R300 HydrophobicContact CG-CB 4.47Å; E230-R300 PolarHBondContact N-O 2.8Å; E230-R300 VanDerWaalsContact N-O 3.14Å; E230-R300 PolarHBondContact O-N 3.41Å; E230-R300 WeakPolarHBondContact OE1-CB 3.3Å; E230-R300 VanDerWaalsContact OE1-CD 3.29Å; E230-R300 WeakPolarHBondContact OE1-CD 3.47Å; E230-R300 IonicContact OE1-CZ 2.93Å; E230-R300 IonicContact OE1-NE 2.98Å; E230-R300 PolarHBondContact OE1-NE 3.06Å; E230-R300 IonicContact OE1-NH2 2.9Å; E230-R300 IonicContact OE2-CZ 2.73Å; E230-R300 IonicContact OE2-NE 3.62Å; E230-R300 PolarHBondContact OE2-NE 2.9Å; E230-R300 IonicContact OE2-NH2 3.13Å; E230-R300 PolarHBondContact OE2-NH2 3.19Å; R300-E302 WeakPolarHBondContact CD-O 3.27Å; R300-E302 WeakPolarHBondContact CG-O 3.48Å; R300-E302 PolarHBondContact NH1-O 2.62Å; R300-T304 CarbonylContact C-O 2.95Å; R300-T304 WeakPolarHBondContact CA-O 3.41Å; R300-I305 HydrophobicContact CB-CG1 4.14Å; R300-I305 HydrophobicContact CG-CG1 3.76Å; R300-T325 PolarHBondContact NH1-O 3.49Å
301H97.3Very high95.5Very high89 Ų8948.4 Ų48.441%0.41225%0.249SC..EExtended strand (participates in β ladder)trans-125.5108.7165.4-176.3-78.8000108K303 T304H301-K303 PolarHBondContact O-N 3.49Å; H301-K303 VanDerWaalsContact O-N 3.11Å; H301-T304 PolarHBondContact N-O 2.9Å; H301-T304 PolarHBondContact O-N 3.39Å
302E95.4Very high95.5Very high101 Ų10152.9 Ų52.947%0.47226%0.256SS..THydrogen-bonded Turntrans51.5-113.1-173.9-57.7177.616900111.4A228 R300A228-E302 WeakPolarHBondContact O-CA 3.2Å; A228-E302 PolarHBondContact O-N 3.19Å; R300-E302 WeakPolarHBondContact CD-O 3.27Å; R300-E302 WeakPolarHBondContact CG-O 3.48Å; R300-E302 PolarHBondContact NH1-O 2.62Å
303K95.6Very high95.6Very high62 Ų6253 Ų5327%0.2727%0.266SS..THydrogen-bonded Turntrans-87.6-9.4179.5-60.3-164.7176-165.20113.8H301 H318 L319 S321 S323 T325H301-K303 PolarHBondContact O-N 3.49Å; H301-K303 VanDerWaalsContact O-N 3.11Å; K303-H318 CarbonylContact O-C 2.82Å; K303-H318 WeakPolarHBondContact O-CA 3.18Å; K303-L319 HydrophobicContact CB-CB 4.13Å; K303-L319 HydrophobicContact CG-CB 4.46Å; K303-L319 PolarHBondContact O-N 2.79Å; K303-S321 PolarHBondContact NZ-O 3.07Å; K303-S323 VanDerWaalsContact CE-O 3.23Å; K303-S323 WeakPolarHBondContact CE-O 3.23Å; K303-S323 PolarHBondContact NZ-O 3.13Å; K303-T325 HydrophobicContact CD-CG2 4.29Å; K303-T325 VanDerWaalsContact CE-CG2 3.42Å; K303-T325 HydrophobicContact CG-CG2 3.87Å
304T97.5Very high95.7Very high37 Ų3753.5 Ų53.523%0.22727%0.27CS..EExtended strand (participates in β ladder)trans-97127.1-176-55.60000110.2R300 H301 F306R300-T304 CarbonylContact C-O 2.95Å; R300-T304 WeakPolarHBondContact CA-O 3.41Å; H301-T304 PolarHBondContact N-O 2.9Å; H301-T304 PolarHBondContact O-N 3.39Å; T304-F306 HydrophobicContact CG2-CD2 4.25Å; T304-F306 HydrophobicContact CG2-CE1 4.18Å; T304-F306 HydrophobicContact CG2-CE2 3.6Å; T304-F306 HydrophobicContact CG2-CZ 3.56Å
305I98.1Very high95.8Very high0 Ų056.1 Ų56.10%029%0.287CS..EExtended strand (participates in β ladder)trans-114.8123.7177.8-61.7162.6000108.1Y270 I281 I298 R300 S316 Y317 L319Y270-I305 HydrophobicContact CD2-CD1 3.6Å; Y270-I305 HydrophobicContact CE2-CD1 3.61Å; Y270-I305 HydrophobicContact CE2-CG1 4.22Å; Y270-I305 HydrophobicContact CE2-CG2 4.46Å; Y270-I305 HydrophobicContact CG-CD1 4.27Å; I281-I305 HydrophobicContact CD1-CB 4.4Å; I281-I305 HydrophobicContact CD1-CD1 3.86Å; I281-I305 HydrophobicContact CD1-CG2 4.09Å; I298-I305 HydrophobicContact CG2-CG2 3.95Å; R300-I305 HydrophobicContact CB-CG1 4.14Å; R300-I305 HydrophobicContact CG-CG1 3.76Å; I305-S316 CarbonylContact O-C 3.57Å; I305-S316 VanDerWaalsContact O-CA 3.31Å; I305-S316 WeakPolarHBondContact O-CA 3.48Å; I305-Y317 PolarHBondContact N-O 2.97Å; I305-Y317 PolarHBondContact O-N 2.93Å; I305-L319 HydrophobicContact CD1-CD2 3.74Å; I305-L319 HydrophobicContact CD1-CG 3.96Å
306F98.1Very high96Very high88 Ų8857.2 Ų57.239%0.38630%0.295SS..EExtended strand (participates in β ladder)trans-101.7123.5171.7-61.1-82.1000109.1I298 T299 T304I298-F306 CarbonylContact C-O 3.32Å; I298-F306 WeakPolarHBondContact CA-O 3.35Å; T299-F306 PolarHBondContact N-O 3.48Å; T299-F306 PolarHBondContact O-N 3.4Å; T304-F306 HydrophobicContact CG2-CD2 4.25Å; T304-F306 HydrophobicContact CG2-CE1 4.18Å; T304-F306 HydrophobicContact CG2-CE2 3.6Å; T304-F306 HydrophobicContact CG2-CZ 3.56Å
307L97.3Very high96Very high6 Ų660 Ų603%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-115.1123.6176.1170.763.7000109.4I268 V283 V296 N297 I298 S314 V315 Y317I268-L307 HydrophobicContact CD1-CD1 3.77Å; I268-L307 HydrophobicContact CD1-CD2 3.82Å; I268-L307 HydrophobicContact CD1-CG 4.27Å; V283-L307 HydrophobicContact CG1-CD2 4.45Å; V283-L307 HydrophobicContact CG2-CD2 3.44Å; V283-L307 VanDerWaalsContact CG2-CD2 3.44Å; V296-L307 HydrophobicContact CG1-CD1 4.07Å; N297-L307 WeakPolarHBondContact O-CA 2.95Å; I298-L307 HydrophobicContact CG1-CD1 3.82Å; L307-S314 CarbonylContact O-C 3.6Å; L307-S314 WeakPolarHBondContact O-CA 3.01Å; L307-V315 PolarHBondContact N-O 2.76Å; L307-V315 PolarHBondContact O-N 2.88Å; L307-Y317 HydrophobicContact CB-CD2 4.42Å; L307-Y317 HydrophobicContact CB-CE2 4.11Å; L307-Y317 HydrophobicContact CD2-CE2 4.15Å
308K96.8Very high95.9Very high100 Ų10063.6 Ų63.644%0.43532%0.321SS..EExtended strand (participates in β ladder)trans-115.3116.4165.9-175.2-176.2179.8-1780109.1N297N297-K308 HydrophobicContact CB-CB 4.3Å; N297-K308 PolarHBondContact N-O 3.05Å; N297-K308 PolarHBondContact O-N 3.01Å
309L95Very high95.8Very high6 Ų664 Ų643%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-105.9125.8176.2-176.459.4000109.2L266 V283 H285 M288 V296 H311 Y312L266-L309 HydrophobicContact CD2-CD1 4.04Å; V283-L309 HydrophobicContact CG1-CD2 3.78Å; H285-L309 HydrophobicContact CB-CD2 4.45Å; H285-L309 WeakPolarHBondContact CD2-CD2 3.07Å; M288-L309 HydrophobicContact CE-CD1 3.59Å; M288-L309 HydrophobicContact CE-CD2 3.49Å; M288-L309 VanDerWaalsContact CE-CD2 3.49Å; M288-L309 HydrophobicContact CE-CG 3.84Å; M288-L309 HydrophobicContact SD-CD2 4.43Å; V296-L309 HydrophobicContact CG2-CD1 3.86Å; L309-H311 PolarHBondContact O-N 2.95Å; L309-Y312 VanDerWaalsContact O-CB 3.27Å; L309-Y312 WeakPolarHBondContact O-CB 3.34Å; L309-Y312 WeakPolarHBondContact O-CD2 3.49Å; L309-Y312 PolarHBondContact O-N 3.24Å
310D93.1Very high95.7Very high35 Ų3564.5 Ų64.519%0.18733%0.327CS..THydrogen-bonded Turntrans48.2-126.8-176.7-60.3-33.1000112.5H294 S295 Y312H294-D310 WeakPolarHBondContact CA-OD1 3.48Å; H294-D310 IonicContact CE1-OD2 3.04Å; H294-D310 IonicContact CG-OD1 2.85Å; H294-D310 IonicContact CG-OD2 2.77Å; H294-D310 IonicContact ND1-OD1 3.71Å; H294-D310 IonicContact ND1-OD2 3.83Å; H294-D310 PolarHBondContact ND1-OD2 2.96Å; S295-D310 PolarHBondContact N-OD1 2.52Å; S295-D310 PolarHBondContact O-N 2.97Å; D310-Y312 HydrophobicContact CB-CD2 4.22Å
311H89.5Confident95.5Very high163 Ų16370.2 Ų70.276%0.75537%0.367SS*.THydrogen-bonded Turntrans-96.86176.3-60.787.4000112.4L309L309-H311 PolarHBondContact O-N 2.95Å
312Y90.9Very high95.3Very high130 Ų13069.4 Ų69.451%0.5137%0.372SS..SBendtrans-68.1152.9176.8-65.4-80.1000110.7H285 L309 D310H285-Y312 AromaticContact CD2-CD2 3.99Å; H285-Y312 AromaticContact CD2-CE2 3.91Å; H285-Y312 AromaticContact NE2-CD2 3.73Å; H285-Y312 AromaticContact NE2-CG 3.89Å; L309-Y312 VanDerWaalsContact O-CB 3.27Å; L309-Y312 WeakPolarHBondContact O-CB 3.34Å; L309-Y312 WeakPolarHBondContact O-CD2 3.49Å; L309-Y312 PolarHBondContact O-N 3.24Å; D310-Y312 HydrophobicContact CB-CD2 4.22Å
313P93.2Very high95.3Very high107 Ų10764.9 Ų64.970%0.69535%0.351SS*.PPolyproline II helixtrans-55.6149.1172.7-2434.4000111.8V315P313-V315 PolarHBondContact O-N 2.86Å
314S95.5Very high95.2Very high71 Ų7165.5 Ų65.550%0.49736%0.357SS..PPolyproline II helixtrans-66.1133.4174.5-1710000110.3L307L307-S314 CarbonylContact O-C 3.6Å; L307-S314 WeakPolarHBondContact O-CA 3.01Å
315V96.4Very high95.1Very high69 Ų6966.4 Ų66.442%0.41836%0.363SS..EExtended strand (participates in β ladder)trans-113.3135.3178.4-176.30000109.1L307 P313 Y317L307-V315 PolarHBondContact N-O 2.76Å; L307-V315 PolarHBondContact O-N 2.88Å; P313-V315 PolarHBondContact O-N 2.86Å; V315-Y317 HydrophobicContact CB-CE2 4.02Å; V315-Y317 HydrophobicContact CG1-CD2 4.4Å; V315-Y317 HydrophobicContact CG1-CE1 4.49Å; V315-Y317 HydrophobicContact CG1-CE2 3.69Å
316S97.4Very high95Very high67 Ų6769.5 Ų69.547%0.46938%0.379SS..EExtended strand (participates in β ladder)trans-99132.3177.962.50000112I305I305-S316 CarbonylContact O-C 3.57Å; I305-S316 VanDerWaalsContact O-CA 3.31Å; I305-S316 WeakPolarHBondContact O-CA 3.48Å
317Y97.2Very high94.9Very high59 Ų5965.3 Ų65.323%0.23136%0.36CS..EExtended strand (participates in β ladder)trans-118.7156.5171.5-60.3-88.7000109.5I281 I305 L307 V315I281-Y317 HydrophobicContact CD1-CD2 4.09Å; I281-Y317 HydrophobicContact CD1-CG 3.87Å; I281-Y317 HydrophobicContact CG1-CD1 4.32Å; I281-Y317 HydrophobicContact CG1-CG 4.16Å; I281-Y317 HydrophobicContact CG2-CD1 3.78Å; I281-Y317 HydrophobicContact CG2-CD2 3.89Å; I281-Y317 HydrophobicContact CG2-CE1 3.6Å; I281-Y317 HydrophobicContact CG2-CE2 3.72Å; I281-Y317 HydrophobicContact CG2-CG 3.92Å; I305-Y317 PolarHBondContact N-O 2.97Å; I305-Y317 PolarHBondContact O-N 2.93Å; L307-Y317 HydrophobicContact CB-CD2 4.42Å; L307-Y317 HydrophobicContact CB-CE2 4.11Å; L307-Y317 HydrophobicContact CD2-CE2 4.15Å; V315-Y317 HydrophobicContact CB-CE2 4.02Å; V315-Y317 HydrophobicContact CG1-CD2 4.4Å; V315-Y317 HydrophobicContact CG1-CE1 4.49Å; V315-Y317 HydrophobicContact CG1-CE2 3.69Å
318H96.7Very high94.7Very high114 Ų11466.8 Ų66.853%0.52837%0.369SS..EExtended strand (participates in β ladder)trans-127.7129-178.3-68.717000109.8Y279 K303Y279-H318 PolarHBondContact OH-O 2.79Å; K303-H318 CarbonylContact O-C 2.82Å; K303-H318 WeakPolarHBondContact O-CA 3.18Å
319L96Very high94.5Very high10 Ų1063.2 Ų63.25%0.05236%0.356CS..  trans-62.8148.2173.5-68.7178.6000110.4Y270 L272 Y279 K303 I305Y270-L319 HydrophobicContact CG-CD2 4.49Å; L272-L319 HydrophobicContact CD1-CD1 3.51Å; L272-L319 HydrophobicContact CG-CD1 4.44Å; Y279-L319 HydrophobicContact CD1-CD2 3.53Å; Y279-L319 HydrophobicContact CE1-CD2 4.23Å; Y279-L319 HydrophobicContact CG-CD2 4.03Å; K303-L319 HydrophobicContact CB-CB 4.13Å; K303-L319 HydrophobicContact CG-CB 4.46Å; K303-L319 PolarHBondContact O-N 2.79Å; I305-L319 HydrophobicContact CD1-CD2 3.74Å; I305-L319 HydrophobicContact CD1-CG 3.96Å
320P95.4Very high94.4Very high41 Ų4163.5 Ų63.527%0.26636%0.358SS..  trans-54.8149.5177-25.133.9000112.7T275 Y279 S322 S323T275-P320 HydrophobicContact CG2-CB 4.38Å; T275-P320 HydrophobicContact CG2-CG 4.48Å; Y279-P320 HydrophobicContact CD2-CG 3.71Å; Y279-P320 HydrophobicContact CE2-CG 4.26Å; Y279-P320 HydrophobicContact CG-CG 4.3Å; P320-S322 PolarHBondContact O-N 3.19Å; P320-S322 VanDerWaalsContact O-N 3.13Å; P320-S323 VanDerWaalsContact O-CB 3.25Å; P320-S323 WeakPolarHBondContact O-CB 3.49Å; P320-S323 PolarHBondContact O-N 2.9Å
321S92.8Very high94.4Very high119 Ų11963.4 Ų63.483%0.83236%0.356SS*.THydrogen-bonded Turntrans-58.6-30.2179.4-540000113.3K303K303-S321 PolarHBondContact NZ-O 3.07Å
322S93.9Very high94.7Very high73 Ų7355.6 Ų55.651%0.5132%0.32SS..THydrogen-bonded Turntrans-80.5-10.6176590000114.3G274 T275 P320G274-S322 CarbonylContact C-O 3.6Å; G274-S322 VanDerWaalsContact C-O 3.24Å; G274-S322 WeakPolarHBondContact CA-O 3.48Å; T275-S322 WeakPolarHBondContact CG2-OG 3.29Å; P320-S322 PolarHBondContact O-N 3.19Å; P320-S322 VanDerWaalsContact O-N 3.13Å
323S94.5Very high95Very high5 Ų549.5 Ų49.54%0.03530%0.296CS..SBendtrans-72.1143.8174.2-176.20000109.9G273 K303 P320G273-S323 WeakPolarHBondContact O-CA 3.33Å; K303-S323 VanDerWaalsContact CE-O 3.23Å; K303-S323 WeakPolarHBondContact CE-O 3.23Å; K303-S323 PolarHBondContact NZ-O 3.13Å; P320-S323 VanDerWaalsContact O-CB 3.25Å; P320-S323 WeakPolarHBondContact O-CB 3.49Å; P320-S323 PolarHBondContact O-N 2.9Å
324D94.9Very high95.2Very high76 Ų7644.4 Ų44.441%0.40626%0.263SS..  trans-67.7164.6168.9-65.3-27.2000110.8L272 G273 G274L272-D324 WeakPolarHBondContact O-CB 3.41Å; G273-D324 VanDerWaalsContact C-OD2 3.25Å; G273-D324 WeakPolarHBondContact CA-OD2 3.45Å; G273-D324 PolarHBondContact O-N 3.06Å; G273-D324 VanDerWaalsContact O-N 3.08Å; G274-D324 PolarHBondContact N-OD2 2.87Å
325T93.9Very high95.2Very high56 Ų5641 Ų4134%0.34424%0.24SC..SBendtrans-101.5-17.3-176.853.30000113.6R300 K303R300-T325 PolarHBondContact NH1-O 3.49Å; K303-T325 HydrophobicContact CD-CG2 4.29Å; K303-T325 VanDerWaalsContact CE-CG2 3.42Å; K303-T325 HydrophobicContact CG-CG2 3.87Å
326L95.9Very high95.2Very high64 Ų6437.8 Ų37.834%0.33522%0.22SC..  trans-103.5136.5-175.9-61.4-179.9000109.8D226 L227 A228 N328D226-L326 HydrophobicContact CB-CB 4.41Å; D226-L326 HydrophobicContact CB-CD1 4.31Å; L227-L326 WeakPolarHBondContact O-CA 3.15Å; A228-L326 HydrophobicContact CB-CD2 3.79Å; L326-N328 PolarHBondContact O-N 3.41Å; L326-N328 PolarHBondContact O-ND2 3.13Å
327F95.9Very high95Very high0 Ų037.6 Ų37.60%021%0.211CC..BIsolated β-bridgetrans-88.4100.4162.4-176.7-167.4000107.4L227 I248 D254 L256 L272 P330L227-F327 HydrophobicContact CB-CB 4.27Å; L227-F327 PolarHBondContact N-O 2.91Å; L227-F327 PolarHBondContact O-N 2.76Å; I248-F327 HydrophobicContact CB-CE1 4.31Å; I248-F327 HydrophobicContact CB-CZ 4.27Å; I248-F327 HydrophobicContact CG2-CE1 3.84Å; I248-F327 HydrophobicContact CG2-CZ 3.83Å; D254-F327 HydrophobicContact CB-CD2 3.54Å; D254-F327 HydrophobicContact CB-CE2 3.59Å; L256-F327 HydrophobicContact CB-CE1 4.46Å; L272-F327 HydrophobicContact CD2-CB 3.75Å; L272-F327 HydrophobicContact CD2-CD2 4.1Å; L272-F327 HydrophobicContact CD2-CG 4.02Å; F327-P330 HydrophobicContact CD1-CG 4.03Å; F327-P330 HydrophobicContact CE1-CB 4.36Å; F327-P330 HydrophobicContact CE1-CG 4.11Å; F327-P330 HydrophobicContact CG-CG 4.25Å; F327-P330 HydrophobicContact CZ-CB 4.43Å; F327-P330 HydrophobicContact CZ-CG 4.39Å
328N93.6Very high94.9Very high38 Ų3835 Ų3520%0.20320%0.201CC..  trans-77.2135.2-168.5-56.5-73.9000110D226 S250 T252 D254 L326D226-N328 WeakPolarHBondContact OD1-CA 3.14Å; S250-N328 WeakPolarHBondContact CB-O 3.35Å; S250-N328 PolarHBondContact OG-O 3.19Å; T252-N328 HydrophobicContact CG2-CB 3.89Å; D254-N328 VanDerWaalsContact OD2-CB 3.3Å; D254-N328 WeakPolarHBondContact OD2-CB 3.11Å; D254-N328 PolarHBondContact OD2-N 2.72Å; D254-N328 PolarHBondContact OD2-ND2 2.69Å; L326-N328 PolarHBondContact O-N 3.41Å; L326-N328 PolarHBondContact O-ND2 3.13Å
329S92.6Very high94.6Very high25 Ų2532.9 Ų32.918%0.17519%0.193CC..SBendtrans4159.9168.6-58.70000117.2D226 S250 F251 K331D226-S329 PolarHBondContact OD1-N 2.91Å; D226-S329 PolarHBondContact OD1-OG 2.03Å; S250-S329 WeakPolarHBondContact CA-O 3.31Å; S250-S329 PolarHBondContact OG-O 3.09Å; F251-S329 WeakPolarHBondContact CD2-O 3.44Å; F251-S329 PolarHBondContact N-O 3.19Å; S329-K331 PolarHBondContact O-N 2.88Å
330P93.7Very high94.1Very high11 Ų1133.5 Ų33.57%0.07120%0.196CC..EExtended strand (participates in β ladder)trans-54.3135.3176.6-23.633.6000112.3F200 P225 L227 F327F200-P330 HydrophobicContact CD2-CB 3.79Å; F200-P330 HydrophobicContact CE2-CB 3.71Å; P225-P330 WeakPolarHBondContact O-CD 3.04Å; L227-P330 HydrophobicContact CD1-CG 3.73Å; L227-P330 HydrophobicContact CG-CG 4.05Å; F327-P330 HydrophobicContact CD1-CG 4.03Å; F327-P330 HydrophobicContact CE1-CB 4.36Å; F327-P330 HydrophobicContact CE1-CG 4.11Å; F327-P330 HydrophobicContact CG-CG 4.25Å; F327-P330 HydrophobicContact CZ-CB 4.43Å; F327-P330 HydrophobicContact CZ-CG 4.39Å
331K93.2Very high93.1Very high33 Ų3336.5 Ų36.514%0.14321%0.213CC..EExtended strand (participates in β ladder)trans-107.4-56.4-171.7174.6-177.9178.7-164.50112.8F200 S249 F251 S329 E340 T341F200-K331 VanDerWaalsContact CD2-C 3.5Å; F200-K331 PolarHBondContact N-O 2.72Å; S249-K331 PolarHBondContact O-N 2.85Å; F251-K331 HydrophobicContact CD1-CB 4.48Å; F251-K331 HydrophobicContact CD1-CD 3.96Å; F251-K331 HydrophobicContact CD1-CG 4.21Å; F251-K331 HydrophobicContact CD2-CB 3.69Å; F251-K331 HydrophobicContact CD2-CG 4.14Å; F251-K331 HydrophobicContact CE1-CB 4.43Å; F251-K331 HydrophobicContact CE1-CD 3.84Å; F251-K331 HydrophobicContact CE1-CG 3.83Å; F251-K331 HydrophobicContact CE2-CB 3.58Å; F251-K331 HydrophobicContact CE2-CD 4.47Å; F251-K331 HydrophobicContact CE2-CG 3.7Å; F251-K331 HydrophobicContact CG-CB 4.15Å; F251-K331 HydrophobicContact CG-CD 4.37Å; F251-K331 HydrophobicContact CG-CG 4.38Å; F251-K331 HydrophobicContact CZ-CB 4.01Å; F251-K331 HydrophobicContact CZ-CD 4.13Å; F251-K331 HydrophobicContact CZ-CG 3.57Å; S329-K331 PolarHBondContact O-N 2.88Å; K331-E340 IonicContact NZ-OE1 3.75Å; K331-E340 PolarHBondContact NZ-OE1 3.08Å; K331-E340 IonicContact NZ-OE2 4Å; K331-T341 PolarHBondContact NZ-OG1 3.07Å
332S94.9Very high92.2Very high0 Ų033.7 Ų33.70%020%0.203CC..EExtended strand (participates in β ladder)trans-151.8148-172.9-640000111.9R197 Y198 N199 I248 S249R197-S332 PolarHBondContact NE-OG 2.85Å; R197-S332 PolarHBondContact NH2-OG 2.97Å; Y198-S332 CarbonylContact O-C 3.45Å; Y198-S332 VanDerWaalsContact O-CA 3.23Å; Y198-S332 WeakPolarHBondContact O-CA 3.06Å; N199-S332 PolarHBondContact OD1-OG 3.42Å; I248-S332 CarbonylContact C-O 3.59Å; I248-S332 WeakPolarHBondContact CA-O 3.33Å; S249-S332 PolarHBondContact N-O 3.14Å; S249-S332 PolarHBondContact O-N 2.79Å; S249-S332 PolarHBondContact OG-N 2.89Å; S249-S332 PolarHBondContact OG-O 2.65Å
333L96.8Very high91.4Very high1 Ų140.2 Ų40.21%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-108.2130.9171.8-179.4160.1000109.2R197 Y198 F200 L246 Y247 I248 L335 F365 P370R197-L333 CarbonylContact C-O 3.54Å; R197-L333 WeakPolarHBondContact CA-O 3.32Å; Y198-L333 PolarHBondContact N-O 2.97Å; Y198-L333 PolarHBondContact O-N 2.78Å; F200-L333 HydrophobicContact CE1-CB 4.45Å; F200-L333 HydrophobicContact CZ-CB 3.97Å; L246-L333 HydrophobicContact CD1-CD1 4.34Å; Y247-L333 CarbonylContact O-C 3.15Å; Y247-L333 WeakPolarHBondContact O-CA 3.21Å; I248-L333 HydrophobicContact CD1-CD1 4.24Å; I248-L333 HydrophobicContact CG1-CB 4.38Å; I248-L333 HydrophobicContact CG1-CD1 4.33Å; I248-L333 HydrophobicContact CG1-CG 4.18Å; L333-L335 HydrophobicContact CD2-CD1 4.41Å; L333-L335 HydrophobicContact CD2-CD2 3.77Å; L333-L335 HydrophobicContact CD2-CG 3.77Å; L333-F365 HydrophobicContact CD1-CB 3.66Å; L333-F365 HydrophobicContact CD1-CG 4.25Å; L333-P370 HydrophobicContact CD1-CG 4.37Å; L333-P370 HydrophobicContact CD2-CB 4.29Å; L333-P370 HydrophobicContact CD2-CG 3.88Å
334F97.2Very high91Very high0 Ų041.9 Ų41.90%023%0.23CC..EExtended strand (participates in β ladder)trans-117137.1-179.7-61.9-96.1000111.2L196 R197 Y247 V338 I339 E340L196-F334 CarbonylContact O-C 3.48Å; L196-F334 WeakPolarHBondContact O-CA 3.06Å; R197-F334 HydrophobicContact CB-CD1 3.97Å; R197-F334 HydrophobicContact CB-CE1 3.9Å; R197-F334 HydrophobicContact CG-CD1 3.98Å; R197-F334 HydrophobicContact CG-CE1 3.54Å; R197-F334 HydrophobicContact CG-CZ 3.86Å; Y247-F334 AromaticContact CD1-CD2 3.74Å; Y247-F334 HydrophobicContact CD1-CD2 3.74Å; Y247-F334 HydrophobicContact CD1-CE2 4.34Å; Y247-F334 HydrophobicContact CD1-CG 4.42Å; Y247-F334 HydrophobicContact CE1-CD2 4.39Å; Y247-F334 PolarHBondContact N-O 2.92Å; Y247-F334 PolarHBondContact O-N 2.76Å; F334-V338 HydrophobicContact CB-CG2 4.27Å; F334-V338 HydrophobicContact CD2-CG1 4.47Å; F334-V338 HydrophobicContact CG-CG1 4.29Å; F334-I339 VanDerWaalsContact CE1-O 3.3Å; F334-I339 WeakPolarHBondContact CE1-O 3.44Å; F334-E340 HydrophobicContact CE2-CB 4.23Å; F334-E340 WeakPolarHBondContact CE2-OE2 3.19Å; F334-E340 HydrophobicContact CZ-CB 4.03Å; F334-E340 WeakPolarHBondContact CZ-OE2 3.43Å
335L97.3Very high90.6Very high1 Ų140.1 Ų40.11%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-125146.3170.7-53.5176.4000109F190 W195 L196 L246 L333 L360 V363 P370 L371F190-L335 HydrophobicContact CE1-CB 4.07Å; F190-L335 HydrophobicContact CZ-CB 3.87Å; F190-L335 HydrophobicContact CZ-CD1 4.4Å; W195-L335 WeakPolarHBondContact CA-O 3.34Å; L196-L335 HydrophobicContact CB-CB 4.37Å; L196-L335 HydrophobicContact CD2-CD1 4.17Å; L196-L335 HydrophobicContact CD2-CG 4.46Å; L196-L335 PolarHBondContact N-O 3.32Å; L196-L335 PolarHBondContact O-N 3.16Å; L246-L335 HydrophobicContact CB-CD2 4.31Å; L246-L335 HydrophobicContact CD1-CD2 4.25Å; L246-L335 HydrophobicContact CG-CD2 4.29Å; L333-L335 HydrophobicContact CD2-CD1 4.41Å; L333-L335 HydrophobicContact CD2-CD2 3.77Å; L333-L335 HydrophobicContact CD2-CG 3.77Å; L335-L360 HydrophobicContact CB-CD1 3.96Å; L335-L360 HydrophobicContact CD2-CD1 4.26Å; L335-L360 HydrophobicContact CG-CD1 4.48Å; L335-V363 HydrophobicContact CD1-CB 4.37Å; L335-V363 HydrophobicContact CD1-CG1 4.02Å; L335-V363 HydrophobicContact CD1-CG2 4.14Å; L335-V363 HydrophobicContact CD2-CG1 3.98Å; L335-V363 HydrophobicContact CD2-CG2 4.49Å; L335-P370 HydrophobicContact CD1-CG 4.27Å; L335-L371 HydrophobicContact CD1-CD2 3.73Å; L335-L371 HydrophobicContact CD1-CG 3.89Å
336G94.5Very high90.4Very high1 Ų145.6 Ų45.61%0.0124%0.242CC..EExtended strand (participates in β ladder)trans82.5-125.4-175.100000111.2
337K93.8Very high89.9Confident63 Ų6345.4 Ų45.427%0.27424%0.24SC..SBendtrans-82.2137.1172.5-172.6174.9-178.9178.90111.4M194 W195 I339M194-K337 PolarHBondContact O-N 3.38Å; W195-K337 HydrophobicContact CB-CB 4.09Å; W195-K337 WeakPolarHBondContact CB-O 3.44Å; K337-I339 HydrophobicContact CD-CD1 3.95Å; K337-I339 HydrophobicContact CG-CD1 3.92Å
338V94.6Very high89.7Confident3 Ų345.4 Ų45.42%0.01824%0.24CC..  trans-86.8116.8177.4-1780000109.9I244 Y247 F334 E340 I344 N352I244-V338 HydrophobicContact CB-CG2 4.49Å; I244-V338 HydrophobicContact CD1-CG2 3.84Å; I244-V338 HydrophobicContact CG2-CG2 4.01Å; Y247-V338 HydrophobicContact CD1-CB 4.47Å; Y247-V338 HydrophobicContact CD1-CG1 3.4Å; Y247-V338 VanDerWaalsContact CD1-CG1 3.4Å; Y247-V338 HydrophobicContact CD1-CG2 4.2Å; Y247-V338 HydrophobicContact CE1-CG1 3.8Å; Y247-V338 HydrophobicContact CG-CG1 4.08Å; Y247-V338 HydrophobicContact CG-CG2 4.11Å; F334-V338 HydrophobicContact CB-CG2 4.27Å; F334-V338 HydrophobicContact CD2-CG1 4.47Å; F334-V338 HydrophobicContact CG-CG1 4.29Å; V338-E340 HydrophobicContact CG1-CB 4.28Å; V338-I344 HydrophobicContact CG1-CD1 4.49Å; V338-N352 WeakPolarHBondContact CB-OD1 3.48Å; V338-N352 PolarHBondContact N-OD1 3.1Å; V338-N352 PolarHBondContact O-ND2 2.72Å
339I90.6Very high89.6Confident70 Ų7049.5 Ų49.536%0.35926%0.257SS..  trans-118.969.5175.7-49.1-66.7000108.9W195 F334 K337W195-I339 HydrophobicContact CD2-CG1 4.06Å; W195-I339 HydrophobicContact CG-CG1 3.89Å; F334-I339 VanDerWaalsContact CE1-O 3.3Å; F334-I339 WeakPolarHBondContact CE1-O 3.44Å; K337-I339 HydrophobicContact CD-CD1 3.95Å; K337-I339 HydrophobicContact CG-CD1 3.92Å
340E86.9Confident89.6Confident24 Ų2454.9 Ų54.911%0.11228%0.277CS..  trans-91.3140.2176.8-177.256.2-10000111Y247 S249 K331 F334 V338 G342 I344Y247-E340 HydrophobicContact CE1-CB 4.4Å; S249-E340 WeakPolarHBondContact CB-OE2 3.21Å; S249-E340 PolarHBondContact OG-OE2 3.16Å; K331-E340 IonicContact NZ-OE1 3.75Å; K331-E340 PolarHBondContact NZ-OE1 3.08Å; K331-E340 IonicContact NZ-OE2 4Å; F334-E340 HydrophobicContact CE2-CB 4.23Å; F334-E340 WeakPolarHBondContact CE2-OE2 3.19Å; F334-E340 HydrophobicContact CZ-CB 4.03Å; F334-E340 WeakPolarHBondContact CZ-OE2 3.43Å; V338-E340 HydrophobicContact CG1-CB 4.28Å; E340-G342 PolarHBondContact O-N 3.35Å; E340-I344 HydrophobicContact CB-CD1 3.96Å; E340-I344 HydrophobicContact CB-CG1 4.15Å
341T73.1Confident89.5Confident104 Ų10455 Ų5564%0.63828%0.277SS*.SBendtrans-89.795.9173.856.40000108.5K331K331-T341 PolarHBondContact NZ-OG1 3.07Å
342G74.6Confident89.5Confident59 Ų5954.1 Ų54.161%0.60827%0.273SS*.SBendtrans157.4-164179.100000114.4E340 I344E340-G342 PolarHBondContact O-N 3.35Å; G342-I344 PolarHBondContact O-N 3.19Å
343K77.4Confident89.2Confident210 Ų21059.1 Ų59.191%0.91330%0.304SS*.  trans-75.6112.9171.8-69.7-175.1-179.7179.60108.9
344I85.2Confident88.7Confident41 Ų4161.8 Ų61.821%0.2132%0.321CS..  trans-98.7139.8171.4-59175.7000107.7V338 E340 G342 I348 H349V338-I344 HydrophobicContact CG1-CD1 4.49Å; E340-I344 HydrophobicContact CB-CD1 3.96Å; E340-I344 HydrophobicContact CB-CG1 4.15Å; G342-I344 PolarHBondContact O-N 3.19Å; I344-I348 HydrophobicContact CG2-CB 3.77Å; I344-I348 HydrophobicContact CG2-CG2 3.6Å; I344-H349 HydrophobicContact CG2-CB 4.47Å
345D87.5Confident88.4Confident39 Ų3961.9 Ų61.921%0.20932%0.323CS..  trans-55.5142.5173.6174.6-88.4000111.5F255 R269 E347 I348 H349F255-D345 HydrophobicContact CE1-CB 3.87Å; F255-D345 HydrophobicContact CZ-CB 3.69Å; R269-D345 IonicContact CZ-OD1 3.85Å; R269-D345 IonicContact NH1-OD1 3.88Å; R269-D345 PolarHBondContact NH1-OD1 3.33Å; R269-D345 IonicContact NH2-OD1 3.05Å; R269-D345 PolarHBondContact NH2-OD1 2.61Å; R269-D345 IonicContact NH2-OD2 3.74Å; D345-E347 VanDerWaalsContact C-N 3.32Å; D345-E347 PolarHBondContact O-N 2.93Å; D345-E347 WeakPolarHBondContact OD1-CB 2.86Å; D345-E347 PolarHBondContact OD1-N 2.82Å; D345-I348 HydrophobicContact CB-CB 4.31Å; D345-I348 HydrophobicContact CB-CG1 3.91Å; D345-I348 WeakPolarHBondContact O-CB 3.03Å; D345-I348 PolarHBondContact O-N 3.19Å; D345-I348 VanDerWaalsContact O-N 3.16Å; D345-I348 PolarHBondContact OD1-N 2.9Å; D345-H349 PolarHBondContact O-N 3.13Å
346Q88.6Confident88.3Confident170 Ų17061.9 Ų61.979%0.79432%0.323SS*.Hα-helixtrans-62.2-37.1-171.4-172.7178.13.500113H349 K350Q346-H349 PolarHBondContact O-N 3.07Å; Q346-K350 WeakPolarHBondContact O-CB 3.35Å; Q346-K350 PolarHBondContact O-N 2.9Å
347E86.6Confident88.3Confident61 Ų6162.9 Ų62.929%0.28533%0.329SS..Hα-helixtrans-73.5-36.2177.3-80.6-160.8132.200111.7R269 D345 H349 K350 Y351R269-E347 IonicContact CZ-OE2 3.38Å; R269-E347 IonicContact NE-OE2 3.99Å; R269-E347 PolarHBondContact NE-OE2 2.9Å; R269-E347 VanDerWaalsContact NH1-CB 3.27Å; R269-E347 IonicContact NH1-OE2 3.81Å; R269-E347 PolarHBondContact NH1-OE2 2.76Å; R269-E347 IonicContact NH2-OE2 2.61Å; R269-E347 PolarHBondContact NH2-OE2 2.73Å; D345-E347 VanDerWaalsContact C-N 3.32Å; D345-E347 PolarHBondContact O-N 2.93Å; D345-E347 WeakPolarHBondContact OD1-CB 2.86Å; D345-E347 PolarHBondContact OD1-N 2.82Å; E347-H349 VanDerWaalsContact C-N 3.35Å; E347-K350 WeakPolarHBondContact O-CB 3.28Å; E347-K350 PolarHBondContact O-N 3.25Å; E347-Y351 HydrophobicContact CB-CE2 4.45Å; E347-Y351 WeakPolarHBondContact O-CD2 3.49Å; E347-Y351 PolarHBondContact O-N 3.28Å
348I91.2Very high88.4Confident0 Ų060.2 Ų60.20%032%0.319CS..Hα-helixtrans-60.8-48.9172-58-55.4000109I244 Y247 F255 A257 L259 I344 D345 K350 Y351 N352I244-I348 HydrophobicContact CD1-CG2 3.66Å; I244-I348 WeakPolarHBondContact CD1-O 3.14Å; Y247-I348 HydrophobicContact CD2-CG2 4.18Å; Y247-I348 HydrophobicContact CE2-CG1 4.43Å; Y247-I348 HydrophobicContact CE2-CG2 4.23Å; F255-I348 HydrophobicContact CE2-CG1 4.43Å; A257-I348 HydrophobicContact CB-CD1 3.44Å; A257-I348 VanDerWaalsContact CB-CD1 3.44Å; A257-I348 HydrophobicContact CB-CG1 4.43Å; L259-I348 HydrophobicContact CD2-CD1 3.78Å; I344-I348 HydrophobicContact CG2-CB 3.77Å; I344-I348 HydrophobicContact CG2-CG2 3.6Å; D345-I348 HydrophobicContact CB-CB 4.31Å; D345-I348 HydrophobicContact CB-CG1 3.91Å; D345-I348 WeakPolarHBondContact O-CB 3.03Å; D345-I348 PolarHBondContact O-N 3.19Å; D345-I348 VanDerWaalsContact O-N 3.16Å; D345-I348 PolarHBondContact OD1-N 2.9Å; I348-K350 VanDerWaalsContact C-N 3.27Å; I348-K350 PolarHBondContact O-N 2.92Å; I348-Y351 PolarHBondContact O-N 2.8Å; I348-N352 VanDerWaalsContact O-CB 3.29Å; I348-N352 WeakPolarHBondContact O-CB 3.42Å; I348-N352 PolarHBondContact O-N 3.14Å; I348-N352 VanDerWaalsContact O-N 3.08Å
349H91.6Very high88.4Confident123 Ų12360.3 Ų60.357%0.56932%0.32SS*.Hα-helixtrans-57.4-39.7175.9-174.1-83.4000112.5I344 D345 Q346 E347 N352I344-H349 HydrophobicContact CG2-CB 4.47Å; D345-H349 PolarHBondContact O-N 3.13Å; Q346-H349 PolarHBondContact O-N 3.07Å; E347-H349 VanDerWaalsContact C-N 3.35Å; H349-N352 PolarHBondContact O-N 3.07Å
350K91.6Very high88.7Confident138 Ų13857 Ų5760%0.630%0.302SS*.Hα-helixtrans-62.9-40.3178.4-175.7-176.3177.3-172.50113.1Q346 E347 I348Q346-K350 WeakPolarHBondContact O-CB 3.35Å; Q346-K350 PolarHBondContact O-N 2.9Å; E347-K350 WeakPolarHBondContact O-CB 3.28Å; E347-K350 PolarHBondContact O-N 3.25Å; I348-K350 VanDerWaalsContact C-N 3.27Å; I348-K350 PolarHBondContact O-N 2.92Å
351Y92.6Very high89.2Confident15 Ų1556 Ų566%0.05930%0.298CS..Hα-helixtrans-94.23.8-177.7-55.6-36000113.9P242 L259 P262 E347 I348 T353P242-Y351 HydrophobicContact CB-CD1 3.46Å; P242-Y351 VanDerWaalsContact CB-CD1 3.46Å; P242-Y351 HydrophobicContact CB-CE1 3.98Å; P242-Y351 HydrophobicContact CB-CG 3.83Å; P242-Y351 HydrophobicContact CG-CD1 3.49Å; P242-Y351 VanDerWaalsContact CG-CD1 3.49Å; P242-Y351 HydrophobicContact CG-CE1 4.02Å; P242-Y351 HydrophobicContact CG-CG 4.26Å; L259-Y351 HydrophobicContact CD1-CD2 3.94Å; L259-Y351 HydrophobicContact CD1-CE2 4.15Å; L259-Y351 HydrophobicContact CD2-CD2 4.09Å; P262-Y351 HydrophobicContact CG-CE1 3.94Å; E347-Y351 HydrophobicContact CB-CE2 4.45Å; E347-Y351 WeakPolarHBondContact O-CD2 3.49Å; E347-Y351 PolarHBondContact O-N 3.28Å; I348-Y351 PolarHBondContact O-N 2.8Å; Y351-T353 VanDerWaalsContact C-N 3.35Å
352N92Very high90.2Very high13 Ų1354 Ų547%0.0728%0.279CS..  trans-82.4-7-178.4-166.133000114.6I244 V338 I348 H349 P354 G355I244-N352 HydrophobicContact CD1-CB 3.85Å; V338-N352 WeakPolarHBondContact CB-OD1 3.48Å; V338-N352 PolarHBondContact N-OD1 3.1Å; V338-N352 PolarHBondContact O-ND2 2.72Å; I348-N352 VanDerWaalsContact O-CB 3.29Å; I348-N352 WeakPolarHBondContact O-CB 3.42Å; I348-N352 PolarHBondContact O-N 3.14Å; I348-N352 VanDerWaalsContact O-N 3.08Å; H349-N352 PolarHBondContact O-N 3.07Å; N352-P354 CarbonylContact O-C 3.49Å; N352-G355 WeakPolarHBondContact O-CA 2.98Å; N352-G355 PolarHBondContact O-N 3.46Å; N352-G355 VanDerWaalsContact O-N 3.16Å
353T89.6Confident91.3Very high105 Ų10551.3 Ų51.364%0.64425%0.251SS*.SBendtrans-121.4121.7-179.2-55.10000109.6Y351Y351-T353 VanDerWaalsContact C-N 3.35Å
354P87.3Confident92.2Very high57 Ų5741.9 Ų41.937%0.3721%0.21SC..SBendcis-79.7-5.27.532.8-36000115.4E192 G193 N352E192-P354 HydrophobicContact CB-CB 4.27Å; E192-P354 HydrophobicContact CG-CB 4.19Å; E192-P354 HydrophobicContact CG-CG 4.25Å; G193-P354 PolarHBondContact N-O 3.44Å; N352-P354 CarbonylContact O-C 3.49Å
355G89.7Confident92.7Very high3 Ų340.1 Ų40.13%0.03120%0.201CC..  trans107.9-170.9-171.600000110.7N352N352-G355 WeakPolarHBondContact O-CA 2.98Å; N352-G355 PolarHBondContact O-N 3.46Å; N352-G355 VanDerWaalsContact O-N 3.16Å
356F95.4Very high93Very high1 Ų140.4 Ų40.40%0.00420%0.202CC..  trans-79.8136.3173.7168.4-93.6000112.1F190 T238 C243 I244 L245 G358 L360F190-F356 HydrophobicContact CB-CD1 3.79Å; F190-F356 HydrophobicContact CB-CE1 4.03Å; F190-F356 HydrophobicContact CD2-CD1 4.38Å; F190-F356 HydrophobicContact CD2-CE1 4.21Å; F190-F356 HydrophobicContact CG-CD1 4.11Å; F190-F356 HydrophobicContact CG-CE1 4.33Å; T238-F356 HydrophobicContact CG2-CE2 4.22Å; C243-F356 HydrophobicContact CB-CB 4.35Å; C243-F356 HydrophobicContact CB-CD2 4.46Å; I244-F356 VanDerWaalsContact O-CB 3.24Å; I244-F356 WeakPolarHBondContact O-CB 3.47Å; L245-F356 HydrophobicContact CD2-CD2 3.46Å; L245-F356 VanDerWaalsContact CD2-CD2 3.46Å; L245-F356 HydrophobicContact CD2-CE2 3.44Å; L245-F356 VanDerWaalsContact CD2-CE2 3.44Å; L245-F356 HydrophobicContact CD2-CG 4.46Å; L245-F356 HydrophobicContact CD2-CZ 4.47Å; F356-G358 VanDerWaalsContact CE1-C 3.46Å; F356-G358 WeakPolarHBondContact CE1-O 3.33Å; F356-L360 HydrophobicContact CD1-CD1 3.93Å; F356-L360 HydrophobicContact CD1-CG 4.14Å; F356-L360 HydrophobicContact CE1-CD1 3.83Å; F356-L360 HydrophobicContact CE1-CD2 4.26Å; F356-L360 HydrophobicContact CE1-CG 3.53Å; F356-L360 HydrophobicContact CZ-CD1 4.5Å; F356-L360 HydrophobicContact CZ-CD2 4.12Å; F356-L360 HydrophobicContact CZ-CG 3.84Å
357T95.1Very high93.1Very high22 Ų2238.6 Ų38.614%0.13519%0.194CC..  trans-129.8127.8171.6-56.20000108.5F190 E192 T238F190-T357 VanDerWaalsContact O-CA 3.31Å; F190-T357 WeakPolarHBondContact O-CA 3.31Å; E192-T357 HydrophobicContact CG-CG2 4.42Å; E192-T357 WeakPolarHBondContact CG-OG1 3.48Å; E192-T357 PolarHBondContact N-OG1 2.89Å; T238-T357 WeakPolarHBondContact CB-O 3.41Å; T238-T357 PolarHBondContact OG1-O 2.97Å
358G95.1Very high93.4Very high7 Ų737.8 Ų37.87%0.07219%0.191CC..EExtended strand (participates in β ladder)trans142.4-162-171.100000111.4F189 F190 S237 F356F189-G358 WeakPolarHBondContact CD2-O 3.47Å; F190-G358 PolarHBondContact N-O 3.17Å; F190-G358 PolarHBondContact O-N 3.23Å; S237-G358 CarbonylContact O-C 3.24Å; S237-G358 VanDerWaalsContact O-CA 3.25Å; S237-G358 WeakPolarHBondContact O-CA 3.47Å; F356-G358 VanDerWaalsContact CE1-C 3.46Å; F356-G358 WeakPolarHBondContact CE1-O 3.33Å
359C95.4Very high93.6Very high4 Ų438.3 Ų38.33%0.02720%0.195CC..EExtended strand (participates in β ladder)trans-110.9134.1-178.3-1480000110.9A188 F189 F236 S237 S393 C395A188-C359 PolarHBondContact O-SG 3.28Å; F189-C359 HydrophobicContact CD2-CB 4.46Å; F236-C359 CarbonylContact C-O 3.56Å; F236-C359 WeakPolarHBondContact CA-O 3.33Å; S237-C359 PolarHBondContact N-O 2.62Å; S237-C359 PolarHBondContact O-N 3.19Å; S237-C359 WeakPolarHBondContact OG-CB 3.42Å; C359-S393 PolarHBondContact SG-OG 2.9Å; C359-S393 VanDerWaalsContact SG-OG 3.41Å; C359-C395 HydrophobicContact CB-CB 3.59Å; C359-C395 WeakPolarHBondContact CB-SG 3.5Å; C359-C395 WeakPolarHBondContact SG-CA 3.4Å; C359-C395 WeakPolarHBondContact SG-CB 3.39Å; C359-C395 CovalentContact SG-SG 2.02Å; C359-C395 PolarHBondContact SG-SG 2.9Å
360L97.1Very high93.8Very high0 Ų032.4 Ų32.40%017%0.168CC..EExtended strand (participates in β ladder)trans-115.6133.3169.7-72.2167.3000108.9G187 A188 F190 F234 S235 F236 L335 F356 V363 L371 C395G187-L360 CarbonylContact C-O 3.59Å; G187-L360 WeakPolarHBondContact CA-O 3.07Å; A188-L360 PolarHBondContact N-O 3Å; A188-L360 PolarHBondContact O-N 2.81Å; F190-L360 HydrophobicContact CD2-CB 4.36Å; F190-L360 HydrophobicContact CD2-CD1 4.04Å; F190-L360 HydrophobicContact CD2-CG 4.4Å; F190-L360 HydrophobicContact CE2-CB 4.03Å; F190-L360 HydrophobicContact CE2-CD1 3.8Å; F190-L360 HydrophobicContact CE2-CG 4.33Å; F190-L360 HydrophobicContact CZ-CD1 4.23Å; F234-L360 HydrophobicContact CD2-CD2 4.21Å; S235-L360 WeakPolarHBondContact O-CA 3.21Å; F236-L360 HydrophobicContact CB-CD2 3.69Å; L335-L360 HydrophobicContact CB-CD1 3.96Å; L335-L360 HydrophobicContact CD2-CD1 4.26Å; L335-L360 HydrophobicContact CG-CD1 4.48Å; F356-L360 HydrophobicContact CD1-CD1 3.93Å; F356-L360 HydrophobicContact CD1-CG 4.14Å; F356-L360 HydrophobicContact CE1-CD1 3.83Å; F356-L360 HydrophobicContact CE1-CD2 4.26Å; F356-L360 HydrophobicContact CE1-CG 3.53Å; F356-L360 HydrophobicContact CZ-CD1 4.5Å; F356-L360 HydrophobicContact CZ-CD2 4.12Å; F356-L360 HydrophobicContact CZ-CG 3.84Å; L360-V363 HydrophobicContact CB-CG2 4.13Å; L360-L371 HydrophobicContact CB-CD1 4.11Å; L360-L371 VanDerWaalsContact O-CD1 3.26Å; L360-L371 WeakPolarHBondContact O-CD1 3.01Å; L360-C395 PolarHBondContact O-SG 3.07Å
361S96.2Very high94Very high3 Ų326 Ų262%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-138.7166.1174.663.60000111.6V186 F234 S235 V363V186-S361 WeakPolarHBondContact O-CA 3.21Å; F234-S361 CarbonylContact C-O 3.44Å; S235-S361 PolarHBondContact N-O 2.82Å; S235-S361 PolarHBondContact O-N 2.94Å; S361-V363 PolarHBondContact O-N 3.42Å
362R95.2Very high94.1Very high63 Ų6326.1 Ų26.124%0.23814%0.141CC..EExtended strand (participates in β ladder)trans55.722.8176.5-54.4174.2176.5163.95.1114Y177 D185 V186 R233 Q364Y177-R362 HydrophobicContact CD1-CG 4.5Å; Y177-R362 HydrophobicContact CE1-CB 4.46Å; Y177-R362 HydrophobicContact CE1-CG 3.67Å; Y177-R362 WeakPolarHBondContact OH-CD 3.25Å; D185-R362 HydrophobicContact CB-CG 4.13Å; D185-R362 IonicContact OD1-CZ 3.1Å; D185-R362 IonicContact OD1-NE 3.59Å; D185-R362 PolarHBondContact OD1-NE 3.37Å; D185-R362 IonicContact OD1-NH2 2.71Å; D185-R362 PolarHBondContact OD1-NH2 3.49Å; D185-R362 IonicContact OD2-CZ 2.72Å; D185-R362 IonicContact OD2-NE 3.33Å; D185-R362 PolarHBondContact OD2-NE 3.19Å; D185-R362 IonicContact OD2-NH2 3.3Å; D185-R362 PolarHBondContact OD2-NH2 3.31Å; V186-R362 PolarHBondContact O-N 2.92Å; R233-R362 CarbonylContact C-O 3.58Å; R362-Q364 PolarHBondContact O-N 3.19Å; R362-Q364 VanDerWaalsContact O-N 3.15Å
363V97.1Very high94.2Very high2 Ų225.8 Ų25.81%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-67.4117.1-176.6-177.60000108.7R233 F234 L246 L335 L360 S361 A369 P370 L371R233-V363 CarbonylContact O-C 3.48Å; R233-V363 WeakPolarHBondContact O-CA 3.47Å; F234-V363 HydrophobicContact CB-CB 4.28Å; F234-V363 HydrophobicContact CB-CG2 3.83Å; L246-V363 HydrophobicContact CD1-CG1 4.29Å; L335-V363 HydrophobicContact CD1-CB 4.37Å; L335-V363 HydrophobicContact CD1-CG1 4.02Å; L335-V363 HydrophobicContact CD1-CG2 4.14Å; L335-V363 HydrophobicContact CD2-CG1 3.98Å; L335-V363 HydrophobicContact CD2-CG2 4.49Å; L360-V363 HydrophobicContact CB-CG2 4.13Å; S361-V363 PolarHBondContact O-N 3.42Å; V363-A369 WeakPolarHBondContact O-CA 3.18Å; V363-P370 HydrophobicContact CB-CG 4.26Å; V363-P370 HydrophobicContact CG1-CG 3.61Å; V363-P370 WeakPolarHBondContact O-CD 3.33Å; V363-L371 HydrophobicContact CB-CD1 3.96Å; V363-L371 HydrophobicContact CB-CG 4.13Å; V363-L371 HydrophobicContact CG2-CD1 3.45Å; V363-L371 VanDerWaalsContact CG2-CD1 3.45Å; V363-L371 HydrophobicContact CG2-CG 4.02Å
364Q96.3Very high94.4Very high12 Ų1222.1 Ų22.16%0.05612%0.12CC..EExtended strand (participates in β ladder)trans-142.6127.9-178.7-175.4163.5-5.100109.8A176 I232 R233 R362 N366 I368A176-Q364 HydrophobicContact CB-CB 4.1Å; I232-Q364 WeakPolarHBondContact CA-O 3.46Å; R233-Q364 HydrophobicContact CB-CB 4.44Å; R233-Q364 PolarHBondContact N-O 3.38Å; R233-Q364 PolarHBondContact O-N 3.38Å; R362-Q364 PolarHBondContact O-N 3.19Å; R362-Q364 VanDerWaalsContact O-N 3.15Å; Q364-N366 WeakPolarHBondContact CG-O 3.22Å; Q364-N366 PolarHBondContact NE2-O 2.04Å; Q364-I368 CarbonylContact C-O 3.58Å; Q364-I368 VanDerWaalsContact CA-O 3.3Å; Q364-I368 WeakPolarHBondContact CA-O 3.04Å
365F96.2Very high94.8Very high4 Ų421.1 Ų21.12%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-119110.4170.3177.8-102.5000107.9F200 L227 E230 E231 I232 I248 L333 Q367 I368F200-F365 AromaticContact CE1-CD1 3.62Å; F200-F365 HydrophobicContact CE1-CD1 3.62Å; F200-F365 AromaticContact CE1-CE1 3.96Å; F200-F365 HydrophobicContact CE1-CE1 3.96Å; F200-F365 HydrophobicContact CE2-CE1 4.36Å; F200-F365 AromaticContact CZ-CD1 3.57Å; F200-F365 HydrophobicContact CZ-CD1 3.57Å; F200-F365 AromaticContact CZ-CE1 3.62Å; F200-F365 HydrophobicContact CZ-CE1 3.62Å; F200-F365 HydrophobicContact CZ-CG 4.42Å; L227-F365 HydrophobicContact CD1-CE1 4.12Å; L227-F365 HydrophobicContact CD1-CZ 3.73Å; E230-F365 HydrophobicContact CB-CE2 3.84Å; E230-F365 HydrophobicContact CB-CZ 4.11Å; E230-F365 HydrophobicContact CG-CE2 4.07Å; E231-F365 CarbonylContact O-C 3.6Å; E231-F365 WeakPolarHBondContact O-CA 3.39Å; I232-F365 HydrophobicContact CD1-CD2 3.88Å; I232-F365 HydrophobicContact CD1-CE2 4.01Å; I232-F365 HydrophobicContact CG1-CD2 3.8Å; I232-F365 HydrophobicContact CG1-CE2 4.16Å; I248-F365 HydrophobicContact CD1-CD2 3.25Å; I248-F365 HydrophobicContact CD1-CE2 3.28Å; I248-F365 HydrophobicContact CD1-CG 3.92Å; I248-F365 HydrophobicContact CD1-CZ 3.94Å; L333-F365 HydrophobicContact CD1-CB 3.66Å; L333-F365 HydrophobicContact CD1-CG 4.25Å; F365-Q367 PolarHBondContact O-N 3.27Å; F365-Q367 VanDerWaalsContact O-N 3.13Å; F365-I368 PolarHBondContact N-O 3.34Å; F365-I368 WeakPolarHBondContact O-CB 3.29Å; F365-I368 PolarHBondContact O-N 3.24Å
366N93.9Very high94.9Very high46 Ų4623.9 Ų23.925%0.24612%0.121CC..THydrogen-bonded Turntrans51.7-115.9-167.8-58.7-28.2000110.3E230 E231 Q364E230-N366 WeakPolarHBondContact CA-OD1 3.23Å; E231-N366 PolarHBondContact N-OD1 2.75Å; E231-N366 PolarHBondContact O-N 2.82Å; Q364-N366 WeakPolarHBondContact CG-O 3.22Å; Q364-N366 PolarHBondContact NE2-O 2.04Å
367Q90.6Very high94.3Very high132 Ų13233.5 Ų33.562%0.61717%0.166SC*.THydrogen-bonded Turntrans-97.18.6178.7-56.9-62.575.300113.5F365F365-Q367 PolarHBondContact O-N 3.27Å; F365-Q367 VanDerWaalsContact O-N 3.13Å
368I93Very high93.7Very high43 Ų4335.9 Ų35.922%0.22118%0.181CC..BIsolated β-bridgetrans-103.9122.5-173.6-59.1173.4000109.4Y198 F200 Q364 F365 P370Y198-I368 HydrophobicContact CD1-CG2 3.88Å; Y198-I368 HydrophobicContact CD2-CG2 4.14Å; Y198-I368 HydrophobicContact CE1-CD1 4.14Å; Y198-I368 HydrophobicContact CE1-CG2 3.49Å; Y198-I368 VanDerWaalsContact CE1-CG2 3.49Å; Y198-I368 HydrophobicContact CE2-CG2 3.77Å; Y198-I368 HydrophobicContact CG-CG2 4.22Å; Y198-I368 VanDerWaalsContact CZ-CG2 3.43Å; F200-I368 HydrophobicContact CD1-CD1 3.5Å; F200-I368 VanDerWaalsContact CD1-CD1 3.5Å; F200-I368 HydrophobicContact CE1-CD1 3.71Å; Q364-I368 CarbonylContact C-O 3.58Å; Q364-I368 VanDerWaalsContact CA-O 3.3Å; Q364-I368 WeakPolarHBondContact CA-O 3.04Å; F365-I368 PolarHBondContact N-O 3.34Å; F365-I368 WeakPolarHBondContact O-CB 3.29Å; F365-I368 PolarHBondContact O-N 3.24Å; I368-P370 VanDerWaalsContact O-CD 3.31Å; I368-P370 WeakPolarHBondContact O-CD 3.5Å
369A95.6Very high93.1Very high11 Ų1143 Ų439%0.09122%0.217CC..  trans-111.486.8176.700000110.6A176 V363 L371 K372 A373A176-A369 HydrophobicContact CB-CB 4Å; V363-A369 WeakPolarHBondContact O-CA 3.18Å; A369-L371 PolarHBondContact O-N 3.03Å; A369-K372 HydrophobicContact CB-CB 3.89Å; A369-K372 PolarHBondContact O-N 3.16Å; A369-K372 VanDerWaalsContact O-N 3.15Å; A369-A373 PolarHBondContact O-N 3.11Å
370P95.4Very high92.5Very high0 Ų044.3 Ų44.30%023%0.228CC..Hα-helixtrans-62.5-39.3-170.523.6-35.7000113.9L196 Y198 L333 L335 V363 I368 K372 A373 A374L196-P370 HydrophobicContact CD2-CB 3.96Å; Y198-P370 HydrophobicContact CD2-CB 3.93Å; Y198-P370 HydrophobicContact CG-CB 4.16Å; L333-P370 HydrophobicContact CD1-CG 4.37Å; L333-P370 HydrophobicContact CD2-CB 4.29Å; L333-P370 HydrophobicContact CD2-CG 3.88Å; L335-P370 HydrophobicContact CD1-CG 4.27Å; V363-P370 HydrophobicContact CB-CG 4.26Å; V363-P370 HydrophobicContact CG1-CG 3.61Å; V363-P370 WeakPolarHBondContact O-CD 3.33Å; I368-P370 VanDerWaalsContact O-CD 3.31Å; I368-P370 WeakPolarHBondContact O-CD 3.5Å; P370-K372 VanDerWaalsContact C-N 3.32Å; P370-K372 PolarHBondContact O-N 2.73Å; P370-A373 PolarHBondContact O-N 2.81Å; P370-A374 WeakPolarHBondContact O-CB 3.47Å; P370-A374 PolarHBondContact O-N 2.85Å
371L95.4Very high92Very high2 Ų246 Ų461%0.0124%0.24CC..Hα-helixtrans-64.3-39.1176.1-69.7179.4000111.8A188 F190 L196 L335 L360 V363 A369 A374 L375A188-L371 HydrophobicContact CB-CD2 4.16Å; F190-L371 HydrophobicContact CE2-CD2 3.99Å; F190-L371 HydrophobicContact CZ-CD2 3.94Å; L196-L371 HydrophobicContact CD1-CD2 4.11Å; L335-L371 HydrophobicContact CD1-CD2 3.73Å; L335-L371 HydrophobicContact CD1-CG 3.89Å; L360-L371 HydrophobicContact CB-CD1 4.11Å; L360-L371 VanDerWaalsContact O-CD1 3.26Å; L360-L371 WeakPolarHBondContact O-CD1 3.01Å; V363-L371 HydrophobicContact CB-CD1 3.96Å; V363-L371 HydrophobicContact CB-CG 4.13Å; V363-L371 HydrophobicContact CG2-CD1 3.45Å; V363-L371 VanDerWaalsContact CG2-CD1 3.45Å; V363-L371 HydrophobicContact CG2-CG 4.02Å; A369-L371 PolarHBondContact O-N 3.03Å; L371-A374 WeakPolarHBondContact O-CB 3.35Å; L371-A374 PolarHBondContact O-N 3.26Å; L371-L375 WeakPolarHBondContact O-CB 3.45Å; L371-L375 WeakPolarHBondContact O-CG 3.49Å; L371-L375 PolarHBondContact O-N 2.71Å
372K95.1Very high91.7Very high19 Ų1948.9 Ų48.98%0.08326%0.264CS..Hα-helixtrans-68.3-42.3176.8-171.1175.1-175.6164.10111.7C172 T175 Y177 D178 V186 A369 P370 A374 L375 R376C172-K372 PolarHBondContact O-NZ 3.43Å; T175-K372 WeakPolarHBondContact O-CD 3.13Å; Y177-K372 PolarHBondContact O-NZ 2.87Å; D178-K372 WeakPolarHBondContact OD1-CE 3.46Å; D178-K372 IonicContact OD1-NZ 3.9Å; D178-K372 PolarHBondContact OD1-NZ 3.39Å; V186-K372 HydrophobicContact CB-CB 4.47Å; V186-K372 HydrophobicContact CG1-CB 4.13Å; V186-K372 HydrophobicContact CG2-CB 4.49Å; V186-K372 HydrophobicContact CG2-CD 4.36Å; V186-K372 HydrophobicContact CG2-CG 4.31Å; A369-K372 HydrophobicContact CB-CB 3.89Å; A369-K372 PolarHBondContact O-N 3.16Å; A369-K372 VanDerWaalsContact O-N 3.15Å; P370-K372 VanDerWaalsContact C-N 3.32Å; P370-K372 PolarHBondContact O-N 2.73Å; K372-A374 PolarHBondContact O-N 2.79Å; K372-L375 PolarHBondContact O-N 3.38Å; K372-R376 HydrophobicContact CG-CG 3.82Å; K372-R376 VanDerWaalsContact O-CB 3.29Å; K372-R376 WeakPolarHBondContact O-CB 3.24Å; K372-R376 WeakPolarHBondContact O-CG 3.43Å; K372-R376 PolarHBondContact O-N 3.23Å
373A94.2Very high91.5Very high6 Ų647.7 Ų47.75%0.0526%0.261CS..Hα-helixtrans-60.6-32174.900000112.7Y198 A369 P370 A380 S381 V384Y198-A373 HydrophobicContact CD2-CB 4.44Å; Y198-A373 HydrophobicContact CE2-CB 4.01Å; A369-A373 PolarHBondContact O-N 3.11Å; P370-A373 PolarHBondContact O-N 2.81Å; A373-A380 HydrophobicContact CB-CB 3.69Å; A373-S381 WeakPolarHBondContact O-CA 3.34Å; A373-S381 WeakPolarHBondContact O-CB 3.46Å; A373-S381 PolarHBondContact O-OG 3.24Å; A373-V384 HydrophobicContact CB-CG2 3.75Å
374A94.3Very high91.4Very high27 Ų2748.6 Ų48.622%0.22327%0.266CS..Hα-helixtrans-72.9-44.917500000112.9L196 P370 L371 K372 V384 I386 L390L196-A374 HydrophobicContact CD1-CB 3.62Å; P370-A374 WeakPolarHBondContact O-CB 3.47Å; P370-A374 PolarHBondContact O-N 2.85Å; L371-A374 WeakPolarHBondContact O-CB 3.35Å; L371-A374 PolarHBondContact O-N 3.26Å; K372-A374 PolarHBondContact O-N 2.79Å; A374-V384 HydrophobicContact CB-CG1 3.87Å; A374-I386 HydrophobicContact CB-CD1 3.83Å; A374-L390 HydrophobicContact CB-CD2 3.7Å
375L93.7Very high91.3Very high37 Ų3751.7 Ų51.719%0.19428%0.281CS..Hα-helixtrans-88.6-12.5-172.5-66.9171.3000114.2V186 A188 L371 K372 L390 E392V186-L375 HydrophobicContact CG1-CD1 3.74Å; A188-L375 HydrophobicContact CB-CD1 4.43Å; L371-L375 WeakPolarHBondContact O-CB 3.45Å; L371-L375 WeakPolarHBondContact O-CG 3.49Å; L371-L375 PolarHBondContact O-N 2.71Å; K372-L375 PolarHBondContact O-N 3.38Å; L375-L390 HydrophobicContact CD2-CD2 3.91Å; L375-L390 HydrophobicContact CD2-CG 4.2Å; L375-L390 HydrophobicContact CG-CD2 4.06Å; L375-E392 HydrophobicContact CD1-CB 4.14Å; L375-E392 HydrophobicContact CD1-CG 4.21Å; L375-E392 HydrophobicContact CD2-CB 4.22Å
376R92.4Very high91.3Very high60 Ų6054.8 Ų54.823%0.22630%0.297CS..SBendtrans-122.2126.1-180-53-62.3175.7-112.72.2109.3D178 K372 T378 S381 E392D178-R376 IonicContact OD2-CZ 2.81Å; D178-R376 IonicContact OD2-NE 2.82Å; D178-R376 PolarHBondContact OD2-NE 3.5Å; D178-R376 IonicContact OD2-NH2 3.36Å; D178-R376 PolarHBondContact OD2-NH2 3.25Å; K372-R376 HydrophobicContact CG-CG 3.82Å; K372-R376 VanDerWaalsContact O-CB 3.29Å; K372-R376 WeakPolarHBondContact O-CB 3.24Å; K372-R376 WeakPolarHBondContact O-CG 3.43Å; K372-R376 PolarHBondContact O-N 3.23Å; R376-T378 HydrophobicContact CB-CG2 4.21Å; R376-T378 PolarHBondContact O-N 2.81Å; R376-T378 PolarHBondContact O-OG1 3.39Å; R376-S381 PolarHBondContact O-OG 3.43Å; R376-E392 IonicContact CZ-OE1 2.92Å; R376-E392 IonicContact CZ-OE2 3.86Å; R376-E392 IonicContact NH1-OE1 2.74Å; R376-E392 IonicContact NH1-OE2 2.65Å; R376-E392 PolarHBondContact NH1-OE2 2.92Å; R376-E392 VanDerWaalsContact NH2-CD 3.27Å; R376-E392 IonicContact NH2-OE1 3.72Å; R376-E392 PolarHBondContact NH2-OE1 2.01Å; R376-E392 IonicContact NH2-OE2 3.16Å; R376-E392 PolarHBondContact NH2-OE2 3.13Å; R376-E392 VanDerWaalsContact NH2-OE2 3.1Å
377Q83.6Confident91.3Very high204 Ų20458.1 Ų58.195%0.95331%0.311SS*.  trans-72.196.3-178.6-148.916320.400109.9
378T82.1Confident91.4Very high72 Ų7254 Ų5444%0.44230%0.304SS..SBendtrans-137.6171.9-175.460.40000110.1R376 A380 S381R376-T378 HydrophobicContact CB-CG2 4.21Å; R376-T378 PolarHBondContact O-N 2.81Å; R376-T378 PolarHBondContact O-OG1 3.39Å; T378-A380 PolarHBondContact O-N 3.34Å; T378-A380 VanDerWaalsContact O-N 3.15Å; T378-A380 PolarHBondContact OG1-N 2.79Å; T378-S381 PolarHBondContact N-OG 2.85Å; T378-S381 VanDerWaalsContact O-CB 3.25Å; T378-S381 WeakPolarHBondContact O-CB 3.19Å; T378-S381 PolarHBondContact O-N 3.49Å; T378-S381 PolarHBondContact O-OG 2.69Å; T378-S381 VanDerWaalsContact O-OG 3.1Å
379N81.5Confident91.3Very high157 Ų15759.4 Ų59.484%0.8433%0.328SS*.G310 helixtrans-58.8-26.5173.8-67.5-15.3000112.5S381N379-S381 VanDerWaalsContact C-N 3.25Å; N379-S381 PolarHBondContact O-N 3Å
380A83.8Confident91Very high31 Ų3160.3 Ų60.326%0.25633%0.331SS..G310 helixtrans-68.6-22.917600000112.7A373 T378 A382 H383A373-A380 HydrophobicContact CB-CB 3.69Å; T378-A380 PolarHBondContact O-N 3.34Å; T378-A380 VanDerWaalsContact O-N 3.15Å; T378-A380 PolarHBondContact OG1-N 2.79Å; A380-A382 PolarHBondContact O-N 3.25Å; A380-H383 WeakPolarHBondContact O-CB 3.25Å; A380-H383 PolarHBondContact O-N 3.27Å; A380-H383 PolarHBondContact O-ND1 2.79Å
381S86.6Confident90.7Very high36 Ų3664.2 Ų64.225%0.25236%0.355SS..G310 helixtrans-61.8-26.1179.7-51.80000113A373 R376 T378 N379 H383 V384A373-S381 WeakPolarHBondContact O-CA 3.34Å; A373-S381 WeakPolarHBondContact O-CB 3.46Å; A373-S381 PolarHBondContact O-OG 3.24Å; R376-S381 PolarHBondContact O-OG 3.43Å; T378-S381 PolarHBondContact N-OG 2.85Å; T378-S381 VanDerWaalsContact O-CB 3.25Å; T378-S381 WeakPolarHBondContact O-CB 3.19Å; T378-S381 PolarHBondContact O-N 3.49Å; T378-S381 PolarHBondContact O-OG 2.69Å; T378-S381 VanDerWaalsContact O-OG 3.1Å; N379-S381 VanDerWaalsContact C-N 3.25Å; N379-S381 PolarHBondContact O-N 3Å; S381-H383 PolarHBondContact O-N 3.45Å; S381-V384 PolarHBondContact O-N 3.18Å; S381-V384 VanDerWaalsContact O-N 3.15Å
382A89.8Confident90.6Very high63 Ų6367.6 Ų67.652%0.52137%0.371SS..G310 helixtrans-64.9-16.5175.100000113.9A380A380-A382 PolarHBondContact O-N 3.25Å
383H91.9Very high90.3Very high38 Ų3868.4 Ų68.418%0.17638%0.379CS..G310 helixtrans-92.3-8179.1-60.578.1000112.6Y198 N199 A202 A380 S381Y198-H383 WeakPolarHBondContact CA-O 3.23Å; Y198-H383 HydrophobicContact CD2-CB 4.34Å; Y198-H383 HydrophobicContact CE1-CB 4.13Å; Y198-H383 HydrophobicContact CE2-CB 3.87Å; N199-H383 PolarHBondContact N-O 3Å; N199-H383 WeakPolarHBondContact O-CB 3.36Å; N199-H383 PolarHBondContact O-CD2 3.19Å; N199-H383 VanDerWaalsContact O-CD2 3.31Å; A202-H383 PolarHBondContact N-CD2 3.25Å; A202-H383 PolarHBondContact N-NE2 2.75Å; A380-H383 WeakPolarHBondContact O-CB 3.25Å; A380-H383 PolarHBondContact O-N 3.27Å; A380-H383 PolarHBondContact O-ND1 2.79Å; S381-H383 PolarHBondContact O-N 3.45Å
384V94.6Very high89.8Confident20 Ų2073.3 Ų73.312%0.12141%0.405CS..EExtended strand (participates in β ladder)trans-101131.6-172.5-172.20000110.3L196 R197 Y198 A373 A374 S381 I386L196-V384 HydrophobicContact CD1-CG1 4.11Å; L196-V384 HydrophobicContact CD2-CG1 4.3Å; L196-V384 HydrophobicContact CG-CG1 3.94Å; R197-V384 CarbonylContact O-C 3.25Å; R197-V384 WeakPolarHBondContact O-CA 3.27Å; Y198-V384 HydrophobicContact CD2-CG2 3.82Å; Y198-V384 HydrophobicContact CE2-CG2 4.21Å; A373-V384 HydrophobicContact CB-CG2 3.75Å; A374-V384 HydrophobicContact CB-CG1 3.87Å; S381-V384 PolarHBondContact O-N 3.18Å; S381-V384 VanDerWaalsContact O-N 3.15Å; V384-I386 HydrophobicContact CG1-CD1 3.99Å; V384-I386 HydrophobicContact CG1-CG1 3.72Å
385H94.8Very high89.3Confident77 Ų7772.6 Ų72.636%0.35640%0.397SS..EExtended strand (participates in β ladder)trans-121.8134.7169.4-58.6-85.2000109W195 L196 R197 N199W195-H385 HydrophobicContact CH2-CB 4.04Å; W195-H385 HydrophobicContact CZ3-CB 3.85Å; W195-H385 WeakPolarHBondContact CZ3-O 3.25Å; L196-H385 WeakPolarHBondContact CA-O 3.28Å; R197-H385 HydrophobicContact CB-CB 4.39Å; R197-H385 PolarHBondContact N-O 3.15Å; R197-H385 PolarHBondContact O-N 3.42Å; N199-H385 PolarHBondContact ND2-CD2 3.05Å; N199-H385 VanDerWaalsContact ND2-CD2 3.33Å; N199-H385 PolarHBondContact ND2-NE2 3.18Å; N199-H385 VanDerWaalsContact ND2-NE2 3.12Å
386I94.7Very high88.1Confident69 Ų6973.3 Ų73.335%0.35441%0.414SS..EExtended strand (participates in β ladder)trans-132.4140.4-173.5-51.6174.6000108.7W195 L196 A374 V384 L390W195-I386 WeakPolarHBondContact O-CA 3.11Å; L196-I386 HydrophobicContact CD1-CD1 4.47Å; L196-I386 HydrophobicContact CD1-CG1 4.37Å; L196-I386 HydrophobicContact CG-CG1 4.31Å; A374-I386 HydrophobicContact CB-CD1 3.83Å; V384-I386 HydrophobicContact CG1-CD1 3.99Å; V384-I386 HydrophobicContact CG1-CG1 3.72Å; I386-L390 HydrophobicContact CD1-CB 4.46Å; I386-L390 HydrophobicContact CD1-CD2 4.25Å; I386-L390 HydrophobicContact CG2-CB 4.34Å
387Q95.3Very high86.6Confident117 Ų11771.7 Ų71.755%0.54741%0.413SS..EExtended strand (participates in β ladder)trans-119127.6164.8179.871.430.500109.3M194 W195M194-Q387 WeakPolarHBondContact CA-O 3.21Å; W195-Q387 VanDerWaalsContact CD1-CB 3.46Å; W195-Q387 HydrophobicContact CD2-CB 3.95Å; W195-Q387 HydrophobicContact CG-CB 4Å; W195-Q387 HydrophobicContact CZ2-CB 3.85Å; W195-Q387 PolarHBondContact N-O 3.03Å; W195-Q387 PolarHBondContact O-N 3.49Å
388G91.4Very high85.3Confident46 Ų4666.6 Ų66.647%0.47440%0.401SS..SBendtrans95175.5-169.700000111.9
389E90.6Very high83.9Confident155 Ų15568.3 Ų68.372%0.72441%0.413SS*.  trans-93.9113.3177-173174.617600110M194 V391M194-E389 VanDerWaalsContact CE-O 3.29Å; M194-E389 WeakPolarHBondContact CE-O 3.35Å; E389-V391 HydrophobicContact CG-CG2 4.34Å; E389-V391 PolarHBondContact O-N 2.93Å
390L90.3Very high82.2Confident30 Ų3067.5 Ų67.516%0.15741%0.408CS..  trans-85.4111.2179.4-168.175.1000110.1A188 F190 L196 A374 L375 I386A188-L390 HydrophobicContact CB-CD1 3.47Å; A188-L390 VanDerWaalsContact CB-CD1 3.47Å; A188-L390 HydrophobicContact CB-CD2 4.16Å; A188-L390 HydrophobicContact CB-CG 3.69Å; F190-L390 HydrophobicContact CE1-CD1 4.27Å; F190-L390 HydrophobicContact CE2-CD1 4.07Å; F190-L390 HydrophobicContact CZ-CD1 3.88Å; L196-L390 HydrophobicContact CD1-CD2 3.98Å; A374-L390 HydrophobicContact CB-CD2 3.7Å; L375-L390 HydrophobicContact CD2-CD2 3.91Å; L375-L390 HydrophobicContact CD2-CG 4.2Å; L375-L390 HydrophobicContact CG-CD2 4.06Å; I386-L390 HydrophobicContact CD1-CB 4.46Å; I386-L390 HydrophobicContact CD1-CD2 4.25Å; I386-L390 HydrophobicContact CG2-CB 4.34Å
391V89.6Confident80.3Confident83 Ų8372 Ų7250%0.50343%0.432SS..EExtended strand (participates in β ladder)trans-101127.6179.7-176.90000110.3A188 F189 E389 S393A188-V391 VanDerWaalsContact CA-O 3.29Å; A188-V391 WeakPolarHBondContact CA-O 3.32Å; F189-V391 PolarHBondContact N-O 3.32Å; E389-V391 HydrophobicContact CG-CG2 4.34Å; E389-V391 PolarHBondContact O-N 2.93Å; V391-S393 PolarHBondContact O-N 2.72Å
392E92.3Very high78.3Confident73 Ų7376.4 Ų76.434%0.34145%0.452SS..EExtended strand (participates in β ladder)trans-61.1131.9175.4-176.7173.7170.600110.6K184 G187 L375 R376K184-E392 IonicContact NZ-OE1 3.99Å; G187-E392 WeakPolarHBondContact O-CA 3.35Å; L375-E392 HydrophobicContact CD1-CB 4.14Å; L375-E392 HydrophobicContact CD1-CG 4.21Å; L375-E392 HydrophobicContact CD2-CB 4.22Å; R376-E392 IonicContact CZ-OE1 2.92Å; R376-E392 IonicContact CZ-OE2 3.86Å; R376-E392 IonicContact NH1-OE1 2.74Å; R376-E392 IonicContact NH1-OE2 2.65Å; R376-E392 PolarHBondContact NH1-OE2 2.92Å; R376-E392 VanDerWaalsContact NH2-CD 3.27Å; R376-E392 IonicContact NH2-OE1 3.72Å; R376-E392 PolarHBondContact NH2-OE1 2.01Å; R376-E392 IonicContact NH2-OE2 3.16Å; R376-E392 PolarHBondContact NH2-OE2 3.13Å; R376-E392 VanDerWaalsContact NH2-OE2 3.1Å
393S89.2Confident75.8Confident36 Ų3678.6 Ų78.625%0.25246%0.464SS..  trans-140144.8179.7179.80000110.4G187 C359 V391 C395G187-S393 CarbonylContact C-O 3.56Å; G187-S393 VanDerWaalsContact CA-O 3.29Å; G187-S393 WeakPolarHBondContact CA-O 3.42Å; G187-S393 PolarHBondContact O-N 3.35Å; C359-S393 PolarHBondContact SG-OG 2.9Å; C359-S393 VanDerWaalsContact SG-OG 3.41Å; V391-S393 PolarHBondContact O-N 2.72Å; S393-C395 PolarHBondContact O-N 3.19Å; S393-C395 PolarHBondContact OG-N 2.95Å
394N83.1Confident73.5Confident109 Ų10982.9 Ų82.958%0.58350%0.495SS*.  trans-77.5-3.3173.668.5-1.4000112.7G396 A397N394-G396 PolarHBondContact O-N 2.91Å; N394-G396 PolarHBondContact OD1-N 2.78Å; N394-A397 WeakPolarHBondContact O-CB 3.19Å; N394-A397 PolarHBondContact O-N 2.82Å
395C83.6Confident70.9Confident11 Ų1190.1 Ų90.17%0.07453%0.529CS..THydrogen-bonded Turntrans48.626.3-179.5-59.60000115.1C359 L360 S393 A397C359-C395 HydrophobicContact CB-CB 3.59Å; C359-C395 WeakPolarHBondContact CB-SG 3.5Å; C359-C395 WeakPolarHBondContact SG-CA 3.4Å; C359-C395 WeakPolarHBondContact SG-CB 3.39Å; C359-C395 CovalentContact SG-SG 2.02Å; C359-C395 PolarHBondContact SG-SG 2.9Å; L360-C395 PolarHBondContact O-SG 3.07Å; S393-C395 PolarHBondContact O-N 3.19Å; S393-C395 PolarHBondContact OG-N 2.95Å; C395-A397 PolarHBondContact O-N 3.1Å
396G68.8Low68.4Low53 Ų5391.8 Ų91.855%0.54655%0.55SS..THydrogen-bonded Turntrans6914.2-175.500000114.9N394 S398N394-G396 PolarHBondContact O-N 2.91Å; N394-G396 PolarHBondContact OD1-N 2.78Å; G396-S398 VanDerWaalsContact C-N 3.33Å; G396-S398 PolarHBondContact O-N 3.26Å
397A61.3Low66Low25 Ų2593.8 Ų93.821%0.20757%0.57CS.*  trans-85.865.7-177.600000112.5D185 N394 C395D185-A397 WeakPolarHBondContact OD2-CB 3.43Å; N394-A397 WeakPolarHBondContact O-CB 3.19Å; N394-A397 PolarHBondContact O-N 2.82Å; C395-A397 PolarHBondContact O-N 3.1Å
398S55.2Low63.3Low98 Ų9892.7 Ų92.769%0.68558%0.581SS**SBendtrans146.4146.4147.1-72.30000113.8G396G396-S398 VanDerWaalsContact C-N 3.33Å; G396-S398 PolarHBondContact O-N 3.26Å
399P54Low61Low108 Ų10897.1 Ų97.170%0.70160%0.599SS**  cis-86.4151.9-11.832.9-26.2000111.2T401P399-T401 PolarHBondContact O-N 3.38Å
400L46.3Very low58.5Low139 Ų13995.5 Ų95.573%0.72860%0.595SS**  trans-57.1106.6172.3-69.5156.5000109.8L402L400-L402 VanDerWaalsContact C-N 3.25Å; L400-L402 PolarHBondContact O-N 2.9Å
401T43Very low55.9Low126 Ų12699.5 Ų99.577%0.77362%0.623SS**  trans-85.213.4178.552.70000113.8P399P399-T401 PolarHBondContact O-N 3.38Å
402L45.5Very low53.5Low128 Ų128105.1 Ų105.167%0.6764%0.635SS**SBendtrans-131.1121.4-175.9-67.3167.9000110.7L400L400-L402 VanDerWaalsContact C-N 3.25Å; L400-L402 PolarHBondContact O-N 2.9Å
403S35.3Very low50.7Low110 Ų110110.6 Ų110.677%0.76966%0.661SS**PPolyproline II helixtrans-55.3145172.3-51.80000110.4M405S403-M405 PolarHBondContact O-N 3.33Å
404P44.8Very low47.9Very low127 Ų127114.9 Ų114.983%0.82568%0.68SS**PPolyproline II helixtrans-56.4117.1174.222.7-31.1000108.7S406P404-S406 PolarHBondContact O-N 2.85Å
405M40.7Very low45.5Very low172 Ų172117.1 Ų117.185%0.84769%0.692SS**PPolyproline II helixtrans-62.6123178.4-161.5170.9-78.200107.6S403 S407S403-M405 PolarHBondContact O-N 3.33Å; M405-S407 PolarHBondContact O-N 3.39Å
406S41.2Very low43.1Very low112 Ų112124.3 Ų124.378%0.78372%0.724SS**PPolyproline II helixtrans-54.6128.3-179.1-480000109.5P404 A408P404-S406 PolarHBondContact O-N 2.85Å; S406-A408 PolarHBondContact O-N 3.44Å; S406-A408 VanDerWaalsContact O-N 3.15Å
407S43.8Very low41.5Very low112 Ų112128.7 Ų128.778%0.78373%0.734SS**PPolyproline II helixtrans-54.1121.4171.650.40000108.6M405 T409M405-S407 PolarHBondContact O-N 3.39Å; S407-T409 PolarHBondContact O-N 2.81Å
408A40.1Very low40Very low94 Ų94133.6 Ų133.678%0.77776%0.757SS**PPolyproline II helixtrans-54.1122.9176.100000109.5S406 D410S406-A408 PolarHBondContact O-N 3.44Å; S406-A408 VanDerWaalsContact O-N 3.15Å; A408-D410 PolarHBondContact O-N 3.16Å
409T42.2Very low38.8Very low138 Ų138134 Ų13485%0.84776%0.759SS**PPolyproline II helixtrans-61.9123.5168.55.10000108.5S407S407-T409 PolarHBondContact O-N 2.81Å
410D38.7Very low37.7Very low122 Ų122133.9 Ų133.965%0.65277%0.768SS**PPolyproline II helixtrans-58.4127.8172.6-176.1-1.9000110.3A408 W412A408-D410 PolarHBondContact O-N 3.16Å; D410-W412 PolarHBondContact O-N 3.05Å; D410-W412 PolarHBondContact OD1-N 3.26Å
411P35.1Very low36.9Very low113 Ų113133 Ų13373%0.73477%0.774SS**THydrogen-bonded Turntrans-73.55.7-178.2-15.530.5000116.3
412W38.6Very low36.3Very low202 Ų202132.1 Ų132.177%0.76578%0.779SS**THydrogen-bonded Turntrans-116.225.9-166.2-68.3106.4000117.6D410D410-W412 PolarHBondContact O-N 3.05Å; D410-W412 PolarHBondContact OD1-N 3.26Å
413H34.1Very low35.5Very low188 Ų188133.9 Ų133.987%0.8779%0.789SS**  trans-102.4100.1164.6-107.6-41.1000112.1D415H413-D415 PolarHBondContact O-N 2.9Å
414L31.1Very low35.2Very low126 Ų126138 Ų13866%0.6679%0.794SS**  trans-61.6122.9170.5-104.992.1000111.1
415D33.2Very low34.9Very low156 Ų156137.8 Ų137.883%0.83479%0.792SS**  trans-66.3122.7157.6-84.7-38.8000110.1H413H413-D415 PolarHBondContact O-N 2.9Å
416H33.2Very low34.3Very low161 Ų161139.5 Ų139.575%0.74579%0.79SS**  trans-142.1127.2154.5-88.1-59.3000111.3
417L33.4Very low33.9Very low146 Ų146139.2 Ų139.276%0.76478%0.78SS**  trans-35.8156.7168.2-69.782.5000113.9
418D30.2Very low33.5Very low127 Ų127139.3 Ų139.368%0.67978%0.778SS**  cis-17214723.6-126.5-31.6000109.7
419S31.1Very low33Very low106 Ų106138.4 Ų138.474%0.74178%0.778SS**  trans43.2112.4136.2-54.40000122.6
420A29.3Very low32.5Very low107 Ų107141.7 Ų141.788%0.88478%0.784SS**  -178.8138.412700000113.3
421S30.8Very low32.3Very low121 Ų121139.7 Ų139.785%0.84679%0.792SS**  trans-64.3147.9179.251.20000116.4
422A30.6Very low32.1Very low106 Ų106143.7 Ų143.788%0.87680%0.801SS**  trans-157.3143.914600000112.3
423D28.1Very low32Very low166 Ų166138.2 Ų138.289%0.88880%0.799SS**  trans-64.7158.3-167.7-88.1-49.1000118.1
424F30.1Very low32.2Very low197 Ų197136.5 Ų136.586%0.86480%0.795SS**  trans-70.4158.5169.1-74.8-81.8000112.9
425P38.2Very low32.5Very low121 Ų121142.2 Ų142.279%0.78681%0.807SS**  -156.6154.871.438.1-15000120.3
426Y26.5Very low32.8Very low208 Ų208141.7 Ų141.782%0.81681%0.805SS**  trans48.9130.3140.3-143.4-125.5000119.4
427N33.4Very low33.1Very low107 Ų107137.3 Ų137.357%0.57280%0.803SS**  cis-176-175.940.9-144.97.9000110.1
428P36.4Very low33.8Very low113 Ų113136.9 Ų136.973%0.73481%0.806SS**  -123.7169-124.535.7-12.3000115.1
429G28.4Very low34.9Very low76 Ų76136.1 Ų136.178%0.78480%0.802SS**  trans114.571.6141.100000118.1
430Q33Very low36.4Very low206 Ų206141.2 Ų141.296%0.96381%0.805SS**SBendtrans-158.1131133.3-139.3169.7-1.600111.7
431G33.3Very low37.8Very low80 Ų80140.9 Ų140.983%0.82579%0.788SS**  trans95.572156.700000116.7
432Q31.6Very low39.5Very low197 Ų197138.1 Ų138.192%0.92177%0.769SS**  trans-102.3111.1161.3-159.3147.35.800110.4
433A36Very low41.3Very low88 Ų88136.6 Ų136.673%0.72776%0.757SS**  trans-58.7143.717200000111.5R435A433-R435 PolarHBondContact O-N 2.82Å
434I38.3Very low43.5Very low152 Ų152133.7 Ų133.778%0.77974%0.74SS**  trans-60.396-178.4-59.9164.6000109.7N436I434-N436 VanDerWaalsContact CG2-OD1 3.23Å; I434-N436 WeakPolarHBondContact CG2-OD1 3.28Å
435R36.8Very low45.7Very low246 Ų246129.4 Ų129.493%0.92873%0.725SS**  trans-89.4100.7157.6-129.6-176.7-172.7-166.42.9106.3A433 G437A433-R435 PolarHBondContact O-N 2.82Å; R435-G437 PolarHBondContact O-N 3.4Å
436N39.3Very low47.7Very low145 Ų145125.6 Ų125.678%0.77571%0.708SS**  trans-56.9105.6177.1-81.9-22.1000110I434 V438I434-N436 VanDerWaalsContact CG2-OD1 3.23Å; I434-N436 WeakPolarHBondContact CG2-OD1 3.28Å; N436-V438 PolarHBondContact O-N 2.79Å
437G40.3Very low50.5Low69 Ų69117.4 Ų117.471%0.71169%0.686SS**  trans-65.8121.4169.400000109.4R435 N439R435-G437 PolarHBondContact O-N 3.4Å; G437-N439 PolarHBondContact O-N 3.34Å; G437-N439 VanDerWaalsContact O-N 3.11Å
438V47.7Very low53.1Low137 Ų137116.4 Ų116.483%0.8368%0.684SS**  trans-62.7114.7165.3-1390000106.5N436 R440N436-V438 PolarHBondContact O-N 2.79Å; V438-R440 PolarHBondContact O-N 3.17Å
439N54.7Low55.7Low111 Ų111115.5 Ų115.559%0.59467%0.672SS**  trans-59.7119.5-170.1-139-16.8000109.3G437 N441 S442G437-N439 PolarHBondContact O-N 3.34Å; G437-N439 VanDerWaalsContact O-N 3.11Å; N439-N441 PolarHBondContact O-N 3.1Å; N439-S442 WeakPolarHBondContact O-CB 3.44Å; N439-S442 PolarHBondContact O-N 2.97Å; N439-S442 PolarHBondContact O-OG 2.86Å
440R60.6Low58.6Low213 Ų213114.6 Ų114.680%0.80466%0.657SS**Hα-helixtrans-56.4-20.9179.8-174.9143.458.3-171.6-0.5112.7V438 I444V438-R440 PolarHBondContact O-N 3.17Å; R440-I444 WeakPolarHBondContact O-CG1 3.21Å
441N59.7Low61.5Low100 Ų100109.2 Ų109.254%0.53564%0.638SS.*Hα-helixtrans-74.3-24174.8-60-11.3000113.1N439 I445N439-N441 PolarHBondContact O-N 3.1Å; N441-I445 VanDerWaalsContact O-CD1 3.31Å; N441-I445 WeakPolarHBondContact O-CD1 3.21Å; N441-I445 WeakPolarHBondContact O-CG1 3.37Å; N441-I445 PolarHBondContact O-N 3.46Å; N441-I445 VanDerWaalsContact O-N 3.09Å
442S65.6Low64.4Low63 Ų63109 Ų10944%0.44162%0.62SS.*Hα-helixtrans-74.5-34.5178.372.20000112.9N439 I444 I445 G446N439-S442 WeakPolarHBondContact O-CB 3.44Å; N439-S442 PolarHBondContact O-N 2.97Å; N439-S442 PolarHBondContact O-OG 2.86Å; S442-I444 VanDerWaalsContact C-N 3.33Å; S442-I445 PolarHBondContact O-N 2.88Å; S442-G446 PolarHBondContact O-N 3.43Å
443A69.9Low67.4Low74 Ų74104 Ų10461%0.61260%0.599SS**Hα-helixtrans-67.3-36.1174.800000111.6G447A443-G447 PolarHBondContact O-N 2.76Å
444I73.1Confident70.2Confident105 Ų105106.5 Ų106.554%0.53859%0.594SS.*Hα-helixtrans-68.9-44.4175.9-60.8169.6000110.2R440 S442 G446 G447 V448R440-I444 WeakPolarHBondContact O-CG1 3.21Å; S442-I444 VanDerWaalsContact C-N 3.33Å; I444-G446 PolarHBondContact O-N 3.44Å; I444-G447 PolarHBondContact O-N 2.97Å; I444-V448 WeakPolarHBondContact O-CG2 3.45Å; I444-V448 PolarHBondContact O-N 2.77Å
445I77.6Confident72.8Confident107 Ų107102.7 Ų102.755%0.54958%0.578SS.*Hα-helixtrans-62.9-43.5177.3-67.1162.7000111N441 S442 G447 V448 I449N441-I445 VanDerWaalsContact O-CD1 3.31Å; N441-I445 WeakPolarHBondContact O-CD1 3.21Å; N441-I445 WeakPolarHBondContact O-CG1 3.37Å; N441-I445 PolarHBondContact O-N 3.46Å; N441-I445 VanDerWaalsContact O-N 3.09Å; S442-I445 PolarHBondContact O-N 2.88Å; I445-G447 PolarHBondContact O-N 3.46Å; I445-V448 PolarHBondContact O-N 2.97Å; I445-I449 HydrophobicContact CG2-CD1 3.96Å; I445-I449 VanDerWaalsContact O-CG1 3.31Å; I445-I449 WeakPolarHBondContact O-CG1 3.4Å; I445-I449 PolarHBondContact O-N 2.75Å; I445-I449 VanDerWaalsContact O-N 3.14Å
446G79.3Confident75.6Confident41 Ų4195.5 Ų95.542%0.42356%0.557SS.*Hα-helixtrans-62.8-40174.800000113S442 I444 I449 A450S442-G446 PolarHBondContact O-N 3.43Å; I444-G446 PolarHBondContact O-N 3.44Å; G446-I449 PolarHBondContact O-N 3.25Å; G446-A450 WeakPolarHBondContact O-CB 3.49Å; G446-A450 PolarHBondContact O-N 3.47Å
447G84.8Confident78.2Confident35 Ų3593.4 Ų93.436%0.36155%0.545SS..Hα-helixtrans-63.6-43.7176.200000113.1A443 I444 I445 A450 V451A443-G447 PolarHBondContact O-N 2.76Å; I444-G447 PolarHBondContact O-N 2.97Å; I445-G447 PolarHBondContact O-N 3.46Å; G447-A450 PolarHBondContact O-N 2.77Å; G447-V451 WeakPolarHBondContact O-CG2 3.22Å; G447-V451 PolarHBondContact O-N 3.37Å
448V89Confident80.7Confident87 Ų8792.4 Ų92.453%0.52753%0.526SS..Hα-helixtrans-63.9-43.4178.1174.70000111I444 I445 A450 V451 V452I444-V448 WeakPolarHBondContact O-CG2 3.45Å; I444-V448 PolarHBondContact O-N 2.77Å; I445-V448 PolarHBondContact O-N 2.97Å; V448-A450 VanDerWaalsContact C-N 3.35Å; V448-A450 PolarHBondContact O-N 2.85Å; V448-V451 PolarHBondContact O-N 2.86Å; V448-V452 WeakPolarHBondContact O-CG2 3.45Å; V448-V452 PolarHBondContact O-N 2.94Å
449I90.2Very high82.8Confident93 Ų9389.7 Ų89.748%0.47751%0.51SS..Hα-helixtrans-62.5-43.4177.6-66.2167.1000110.7I445 G446 V451 V452 I453I445-I449 HydrophobicContact CG2-CD1 3.96Å; I445-I449 VanDerWaalsContact O-CG1 3.31Å; I445-I449 WeakPolarHBondContact O-CG1 3.4Å; I445-I449 PolarHBondContact O-N 2.75Å; I445-I449 VanDerWaalsContact O-N 3.14Å; G446-I449 PolarHBondContact O-N 3.25Å; I449-V451 VanDerWaalsContact C-N 3.34Å; I449-V451 PolarHBondContact O-N 2.89Å; I449-V452 PolarHBondContact O-N 2.95Å; I449-I453 HydrophobicContact CG2-CD1 3.83Å; I449-I453 HydrophobicContact CG2-CG1 4.49Å; I449-I453 WeakPolarHBondContact O-CG1 3.45Å; I449-I453 PolarHBondContact O-N 2.73Å
450A90.6Very high84.6Confident58 Ų5888.9 Ų88.948%0.47951%0.505SS..Hα-helixtrans-61.7-41.2177.900000112.4G446 G447 V448 I453 F454G446-A450 WeakPolarHBondContact O-CB 3.49Å; G446-A450 PolarHBondContact O-N 3.47Å; G447-A450 PolarHBondContact O-N 2.77Å; V448-A450 VanDerWaalsContact C-N 3.35Å; V448-A450 PolarHBondContact O-N 2.85Å; A450-I453 PolarHBondContact O-N 2.98Å; A450-F454 WeakPolarHBondContact O-CB 3.41Å; A450-F454 PolarHBondContact O-N 2.98Å
451V93.4Very high86.1Confident93 Ų9382.5 Ų82.556%0.56449%0.49SS*.Hα-helixtrans-65.1-43.4177.1172.40000111.3G447 V448 I449 I453 F454 T455G447-V451 WeakPolarHBondContact O-CG2 3.22Å; G447-V451 PolarHBondContact O-N 3.37Å; V448-V451 PolarHBondContact O-N 2.86Å; I449-V451 VanDerWaalsContact C-N 3.34Å; I449-V451 PolarHBondContact O-N 2.89Å; V451-I453 PolarHBondContact O-N 3.15Å; V451-F454 PolarHBondContact O-N 2.74Å; V451-T455 HydrophobicContact CG1-CG2 4.42Å; V451-T455 WeakPolarHBondContact O-CG2 3.44Å; V451-T455 PolarHBondContact O-N 2.52Å; V451-T455 PolarHBondContact O-OG1 2.88Å
452V94.8Very high87.5Confident74 Ų7485.2 Ų85.245%0.44850%0.497SS..Hα-helixtrans-63.7-42.2178.9173.40000111.7V448 I449 F454 T455 I456V448-V452 WeakPolarHBondContact O-CG2 3.45Å; V448-V452 PolarHBondContact O-N 2.94Å; I449-V452 PolarHBondContact O-N 2.95Å; V452-F454 VanDerWaalsContact C-N 3.32Å; V452-F454 PolarHBondContact O-N 2.73Å; V452-T455 PolarHBondContact O-N 2.75Å; V452-T455 PolarHBondContact O-OG1 3.2Å; V452-I456 HydrophobicContact CG1-CD1 4Å; V452-I456 VanDerWaalsContact O-CG1 3.3Å; V452-I456 WeakPolarHBondContact O-CG1 3.04Å; V452-I456 PolarHBondContact O-N 3.29Å; V452-I456 VanDerWaalsContact O-N 3.15Å
453I94.7Very high88.4Confident94 Ų9487.3 Ų87.348%0.48250%0.503SS..Hα-helixtrans-63.9-42.4176.4-67.2169.7000110.3I449 A450 V451 T455 I456 L457I449-I453 HydrophobicContact CG2-CD1 3.83Å; I449-I453 HydrophobicContact CG2-CG1 4.49Å; I449-I453 WeakPolarHBondContact O-CG1 3.45Å; I449-I453 PolarHBondContact O-N 2.73Å; A450-I453 PolarHBondContact O-N 2.98Å; V451-I453 PolarHBondContact O-N 3.15Å; I453-T455 PolarHBondContact O-N 3.32Å; I453-I456 PolarHBondContact O-N 2.93Å; I453-L457 HydrophobicContact CG2-CD1 4.1Å; I453-L457 WeakPolarHBondContact O-CG 3.26Å; I453-L457 PolarHBondContact O-N 2.92Å
454F94.6Very high89.1Confident140 Ų14087.4 Ų87.461%0.61449%0.492SS*.Hα-helixtrans-63.8-41.9179.4-172.2-99.7000112.3A450 V451 V452 I456 L457 C458A450-F454 WeakPolarHBondContact O-CB 3.41Å; A450-F454 PolarHBondContact O-N 2.98Å; V451-F454 PolarHBondContact O-N 2.74Å; V452-F454 VanDerWaalsContact C-N 3.32Å; V452-F454 PolarHBondContact O-N 2.73Å; F454-I456 PolarHBondContact O-N 3.26Å; F454-L457 PolarHBondContact O-N 2.98Å; F454-C458 PolarHBondContact O-N 2.96Å; F454-C458 PolarHBondContact O-SG 2.85Å
455T92.9Very high89.5Confident72 Ų7291.2 Ų91.244%0.44250%0.5SS..Hα-helixtrans-65.7-38.1177.457.70000112.3V451 V452 I453 C458 T459V451-T455 HydrophobicContact CG1-CG2 4.42Å; V451-T455 WeakPolarHBondContact O-CG2 3.44Å; V451-T455 PolarHBondContact O-N 2.52Å; V451-T455 PolarHBondContact O-OG1 2.88Å; V452-T455 PolarHBondContact O-N 2.75Å; V452-T455 PolarHBondContact O-OG1 3.2Å; I453-T455 PolarHBondContact O-N 3.32Å; T455-C458 PolarHBondContact O-N 2.78Å; T455-T459 VanDerWaalsContact O-CG2 3.29Å; T455-T459 WeakPolarHBondContact O-CG2 3.05Å; T455-T459 PolarHBondContact O-N 2.88Å; T455-T459 PolarHBondContact O-OG1 3.23Å
456I94.8Very high89.6Confident95 Ų9593.2 Ų93.249%0.48750%0.502SS..Hα-helixtrans-63.7-43174.9-67.2167.4000111V452 I453 F454 T459 L460V452-I456 HydrophobicContact CG1-CD1 4Å; V452-I456 VanDerWaalsContact O-CG1 3.3Å; V452-I456 WeakPolarHBondContact O-CG1 3.04Å; V452-I456 PolarHBondContact O-N 3.29Å; V452-I456 VanDerWaalsContact O-N 3.15Å; I453-I456 PolarHBondContact O-N 2.93Å; F454-I456 PolarHBondContact O-N 3.26Å; I456-T459 PolarHBondContact O-N 2.91Å; I456-T459 PolarHBondContact O-OG1 2.88Å; I456-L460 WeakPolarHBondContact O-CB 3.42Å; I456-L460 PolarHBondContact O-N 2.79Å
457L94.6Very high89.2Confident101 Ų10196.1 Ų96.153%0.52951%0.506SS..Hα-helixtrans-65.5-40.9177.5-71.1173.9000111.6I453 F454 L460 V461I453-L457 HydrophobicContact CG2-CD1 4.1Å; I453-L457 WeakPolarHBondContact O-CG 3.26Å; I453-L457 PolarHBondContact O-N 2.92Å; F454-L457 PolarHBondContact O-N 2.98Å; L457-L460 PolarHBondContact O-N 2.87Å; L457-V461 WeakPolarHBondContact O-CG2 3.44Å; L457-V461 PolarHBondContact O-N 3.12Å
458C93.3Very high88.4Confident47 Ų47101.9 Ų101.932%0.31852%0.521SS..Hα-helixtrans-61.8-46.2175.4-760000112.1F454 T455 L460 V461 F462F454-C458 PolarHBondContact O-N 2.96Å; F454-C458 PolarHBondContact O-SG 2.85Å; T455-C458 PolarHBondContact O-N 2.78Å; C458-L460 VanDerWaalsContact C-N 3.31Å; C458-L460 PolarHBondContact O-N 2.9Å; C458-V461 PolarHBondContact O-N 3.39Å; C458-F462 VanDerWaalsContact O-CD2 3.31Å; C458-F462 WeakPolarHBondContact O-CD2 3.27Å; C458-F462 PolarHBondContact O-N 3.49Å
459T91.4Very high87.2Confident81 Ų81108.2 Ų108.250%0.49754%0.535SS..Hα-helixtrans-64.5-37.3179.258.40000111.4T455 I456 F462 L463T455-T459 VanDerWaalsContact O-CG2 3.29Å; T455-T459 WeakPolarHBondContact O-CG2 3.05Å; T455-T459 PolarHBondContact O-N 2.88Å; T455-T459 PolarHBondContact O-OG1 3.23Å; I456-T459 PolarHBondContact O-N 2.91Å; I456-T459 PolarHBondContact O-OG1 2.88Å; T459-F462 PolarHBondContact O-N 2.94Å; T459-L463 WeakPolarHBondContact O-CB 3.43Å; T459-L463 WeakPolarHBondContact O-CG 3.4Å; T459-L463 PolarHBondContact O-N 2.79Å
460L92.3Very high85.9Confident93 Ų93110.2 Ų110.249%0.48754%0.542SS..Hα-helixtrans-63.7-43.4175.9-155.9115.8000111.7I456 L457 C458 F462 L463 I464I456-L460 WeakPolarHBondContact O-CB 3.42Å; I456-L460 PolarHBondContact O-N 2.79Å; L457-L460 PolarHBondContact O-N 2.87Å; C458-L460 VanDerWaalsContact C-N 3.31Å; C458-L460 PolarHBondContact O-N 2.9Å; L460-F462 VanDerWaalsContact C-N 3.34Å; L460-F462 PolarHBondContact O-N 3.33Å; L460-L463 PolarHBondContact O-N 2.78Å; L460-I464 HydrophobicContact CD2-CD1 3.71Å; L460-I464 HydrophobicContact CG-CD1 4.35Å; L460-I464 WeakPolarHBondContact O-CB 3.11Å; L460-I464 WeakPolarHBondContact O-CG1 3.26Å; L460-I464 PolarHBondContact O-N 2.73Å
461V92.1Very high84Confident80 Ų80112.8 Ų112.849%0.48554%0.543SS..Hα-helixtrans-63.6-40.2175.1171.70000111.4L457 C458 I464 R465L457-V461 WeakPolarHBondContact O-CG2 3.44Å; L457-V461 PolarHBondContact O-N 3.12Å; C458-V461 PolarHBondContact O-N 3.39Å; V461-I464 PolarHBondContact O-N 2.84Å; V461-R465 WeakPolarHBondContact O-CB 3.31Å; V461-R465 PolarHBondContact O-N 2.92Å
462F89.1Confident82.3Confident157 Ų157111.1 Ų111.169%0.68954%0.544SS*.Hα-helixtrans-64.8-41.9174.5-90.6-76.6000112.3C458 T459 L460 R465 Y466C458-F462 VanDerWaalsContact O-CD2 3.31Å; C458-F462 WeakPolarHBondContact O-CD2 3.27Å; C458-F462 PolarHBondContact O-N 3.49Å; T459-F462 PolarHBondContact O-N 2.94Å; L460-F462 VanDerWaalsContact C-N 3.34Å; L460-F462 PolarHBondContact O-N 3.33Å; F462-R465 PolarHBondContact O-N 2.87Å; F462-Y466 WeakPolarHBondContact O-CB 3.13Å; F462-Y466 PolarHBondContact O-N 2.9Å
463L84.2Confident80.1Confident106 Ų106114.3 Ų114.356%0.55556%0.564SS**Hα-helixtrans-64.9-40.8175.8-76.1172.9000112T459 L460 Y466 M467T459-L463 WeakPolarHBondContact O-CB 3.43Å; T459-L463 WeakPolarHBondContact O-CG 3.4Å; T459-L463 PolarHBondContact O-N 2.79Å; L460-L463 PolarHBondContact O-N 2.78Å; L463-Y466 PolarHBondContact O-N 3.39Å; L463-M467 VanDerWaalsContact O-CB 3.28Å; L463-M467 WeakPolarHBondContact O-CB 3.46Å; L463-M467 VanDerWaalsContact O-CG 3.23Å; L463-M467 WeakPolarHBondContact O-CG 3.45Å; L463-M467 PolarHBondContact O-N 3.28Å
464I84.7Confident77.8Confident76 Ų76118 Ų11839%0.3957%0.573SS.*Hα-helixtrans-62.3-47.6174.8-71.5168.6000110L460 V461 Y466 M467 F468L460-I464 HydrophobicContact CD2-CD1 3.71Å; L460-I464 HydrophobicContact CG-CD1 4.35Å; L460-I464 WeakPolarHBondContact O-CB 3.11Å; L460-I464 WeakPolarHBondContact O-CG1 3.26Å; L460-I464 PolarHBondContact O-N 2.73Å; V461-I464 PolarHBondContact O-N 2.84Å; I464-Y466 VanDerWaalsContact C-N 3.33Å; I464-Y466 PolarHBondContact O-N 2.9Å; I464-M467 PolarHBondContact O-N 2.98Å; I464-F468 HydrophobicContact CG2-CD2 3.55Å; I464-F468 HydrophobicContact CG2-CE2 3.36Å; I464-F468 WeakPolarHBondContact O-CD2 3.39Å; I464-F468 PolarHBondContact O-N 3.45Å
465R81.3Confident75.4Confident186 Ų186119.3 Ų119.370%0.70258%0.581SS**Hα-helixtrans-64.4-37.2175.8-81.8-166165.6158.4-1.2112.6V461 F462 F468 R469V461-R465 WeakPolarHBondContact O-CB 3.31Å; V461-R465 PolarHBondContact O-N 2.92Å; F462-R465 PolarHBondContact O-N 2.87Å; R465-F468 PolarHBondContact O-N 3.05Å; R465-R469 WeakPolarHBondContact O-CB 3.45Å; R465-R469 PolarHBondContact O-N 2.92Å
466Y79.3Confident73.1Confident148 Ų148120.9 Ų120.958%0.5859%0.59SS**Hα-helixtrans-65-46.3176.2-179.4-96.6000111.4F462 L463 I464 F468 R469 H470F462-Y466 WeakPolarHBondContact O-CB 3.13Å; F462-Y466 PolarHBondContact O-N 2.9Å; L463-Y466 PolarHBondContact O-N 3.39Å; I464-Y466 VanDerWaalsContact C-N 3.33Å; I464-Y466 PolarHBondContact O-N 2.9Å; Y466-F468 VanDerWaalsContact C-N 3.32Å; Y466-F468 PolarHBondContact O-N 3.33Å; Y466-R469 PolarHBondContact O-N 2.81Å; Y466-R469 VanDerWaalsContact O-N 3.15Å; Y466-H470 AromaticContact CE2-CD2 3.67Å; Y466-H470 AromaticContact CZ-CD2 3.94Å; Y466-H470 PolarHBondContact O-N 2.81Å
467M70.5Confident70.7Confident103 Ų103123.4 Ų123.451%0.50761%0.605SS.*Hα-helixtrans-57.4-43.3173.2-79.9-103.1-5900112L463 I464 K471L463-M467 VanDerWaalsContact O-CB 3.28Å; L463-M467 WeakPolarHBondContact O-CB 3.46Å; L463-M467 VanDerWaalsContact O-CG 3.23Å; L463-M467 WeakPolarHBondContact O-CG 3.45Å; L463-M467 PolarHBondContact O-N 3.28Å; I464-M467 PolarHBondContact O-N 2.98Å; M467-K471 WeakPolarHBondContact O-CB 3.5Å; M467-K471 PolarHBondContact O-N 2.92Å; M467-K471 VanDerWaalsContact O-N 3.08Å
468F69.4Low68.5Low155 Ų155126.2 Ų126.268%0.6862%0.615SS**Hα-helixtrans-73.4-26.5177.2-74.3-55.3000113.5I464 R465 Y466I464-F468 HydrophobicContact CG2-CD2 3.55Å; I464-F468 HydrophobicContact CG2-CE2 3.36Å; I464-F468 WeakPolarHBondContact O-CD2 3.39Å; I464-F468 PolarHBondContact O-N 3.45Å; R465-F468 PolarHBondContact O-N 3.05Å; Y466-F468 VanDerWaalsContact C-N 3.32Å; Y466-F468 PolarHBondContact O-N 3.33Å
469R63.8Low66.1Low221 Ų221128.3 Ų128.383%0.83464%0.636SS**Hα-helixtrans-78-28175.7-129.5-179.5161.6107.4-0.6113R465 Y466R465-R469 WeakPolarHBondContact O-CB 3.45Å; R465-R469 PolarHBondContact O-N 2.92Å; Y466-R469 PolarHBondContact O-N 2.81Å; Y466-R469 VanDerWaalsContact O-N 3.15Å
470H61.7Low64.2Low134 Ų134134.1 Ų134.162%0.6265%0.654SS**Hα-helixtrans-108.42.9-176.9-86.8-73.2000115.7Y466 G472Y466-H470 AromaticContact CE2-CD2 3.67Å; Y466-H470 AromaticContact CZ-CD2 3.94Å; Y466-H470 PolarHBondContact O-N 2.81Å; H470-G472 PolarHBondContact O-N 3.46Å
471K51.8Low62.4Low113 Ų113132.6 Ų132.649%0.49166%0.661SS.*  trans-97.663.4165-77.8-175.3171.5-178.40111.9M467M467-K471 WeakPolarHBondContact O-CB 3.5Å; M467-K471 PolarHBondContact O-N 2.92Å; M467-K471 VanDerWaalsContact O-N 3.08Å
472G57.6Low60.3Low57 Ų57132.8 Ų132.859%0.58867%0.671SS**  trans-74.8141.2137.800000107.6H470H470-G472 PolarHBondContact O-N 3.46Å
473T48.3Very low58.5Low142 Ų142133.1 Ų133.187%0.87168%0.675SS**  trans76.487.7-176.574.80000116
474Y47.3Very low57Low171 Ų171133.6 Ų133.667%0.67169%0.687SS**  trans-75.5125.5152.1-70.7-90000108.1
475H42.5Very low55.3Low168 Ų168132.6 Ų132.678%0.77869%0.69SS**  trans-85.2105.1159.3-159.374.3000106N477H475-N477 PolarHBondContact O-N 3.07Å
476T45.1Very low54Low104 Ų104133.6 Ų133.664%0.63870%0.703SS**  trans-73.7108.9170.942.20000107.5E478T476-E478 PolarHBondContact O-N 3.25Å
477N44.9Very low53Low148 Ų148130 Ų13079%0.79170%0.699SS**  trans-7581.4159.2-76.4-32.3000106.8H475 A479H475-N477 PolarHBondContact O-N 3.07Å; N477-A479 PolarHBondContact O-N 2.86Å
478E48.2Very low52.2Low161 Ų161128.9 Ų128.975%0.75271%0.706SS**  trans-60.9129.3162.9-75.7-175162.900108.2T476 K480T476-E478 PolarHBondContact O-N 3.25Å; E478-K480 PolarHBondContact O-N 2.75Å
479A42.2Very low51.6Low90 Ų90127.8 Ų127.874%0.74471%0.707SS**  trans-64.9104.7169.900000107.9N477 G481N477-A479 PolarHBondContact O-N 2.86Å; A479-G481 PolarHBondContact O-N 3.24Å
480K51.8Low51.2Low203 Ų203119.7 Ų119.788%0.88369%0.688SS**THydrogen-bonded Turntrans-55.7116.9172.9-126.4174.6-177.5174.70108.9E478E478-K480 PolarHBondContact O-N 2.75Å
481G55.1Low50.9Low61 Ų61116.1 Ų116.163%0.62968%0.681SS**THydrogen-bonded Turntrans132.90.7171.900000117A479A479-G481 PolarHBondContact O-N 3.24Å
482A48.7Very low51Low85 Ų85116.8 Ų116.870%0.70269%0.689SS**  trans-100.315.4178.800000114.3
483E50.1Low50.8Low164 Ų164121.8 Ų121.877%0.76670%0.699SS**SBendtrans-102.211.9-17652.3-159.6148.500114.2
484S53.4Low50.8Low116 Ų116122.1 Ų122.181%0.81170%0.695SS**SBendtrans-137.325.9175.348.80000115.1
485A49.1Very low50.9Low54 Ų54120.8 Ų120.845%0.44670%0.7SS.*  trans-115117.1171.500000110.3S487A485-S487 VanDerWaalsContact C-N 3.27Å; A485-S487 PolarHBondContact O-N 2.91Å
486E53.9Low51Low208 Ų208119 Ų11997%0.97270%0.696SS**SBendtrans-80.1-1.6-171.1-151.1174.3-178.200113.8
487S58.5Low51.3Low73 Ų73120 Ų12051%0.5171%0.705SS.*SBendtrans-157.5157.6171.376.70000113.5A485 D489 A490A485-S487 VanDerWaalsContact C-N 3.27Å; A485-S487 PolarHBondContact O-N 2.91Å; S487-D489 VanDerWaalsContact C-N 3.26Å; S487-D489 PolarHBondContact O-N 3.49Å; S487-A490 PolarHBondContact O-N 2.78Å
488A53.1Low51.5Low78 Ų78120 Ų12065%0.64571%0.705SS**G310 helixtrans-64.3-24.5-173.200000114.3A490A488-A490 VanDerWaalsContact C-N 3.33Å; A488-A490 PolarHBondContact O-N 3.43Å
489D56.3Low51.3Low132 Ų132121.6 Ų121.671%0.70671%0.709SS**G310 helixtrans-77.7-18.2-176.7-63-33.9000112.8S487S487-D489 VanDerWaalsContact C-N 3.26Å; S487-D489 PolarHBondContact O-N 3.49Å
490A55.2Low51.2Low52 Ų52123.9 Ų123.943%0.4371%0.714SS.*G310 helixtrans-84.8-18.7177.500000113.9S487 A488 I492S487-A490 PolarHBondContact O-N 2.78Å; A488-A490 VanDerWaalsContact C-N 3.33Å; A488-A490 PolarHBondContact O-N 3.43Å; A490-I492 VanDerWaalsContact C-N 3.35Å
491A55.7Low50.7Low58 Ų58122.8 Ų122.848%0.47971%0.712SS.*THydrogen-bonded Turntrans-79.3-18.1179.900000113.3
492I54.8Low49.8Very low128 Ų128125.8 Ų125.866%0.65672%0.718SS**THydrogen-bonded Turntrans-86.4-29.4-175.2-59.9176.6000111.6A490 N494A490-I492 VanDerWaalsContact C-N 3.35Å; I492-N494 VanDerWaalsContact C-N 3.32Å; I492-N494 PolarHBondContact O-N 2.85Å
493M52.4Low49.3Very low162 Ų162129.1 Ų129.180%0.79872%0.723SS**THydrogen-bonded Turntrans-72.6-17.2-180-83.3-178.258.400115
494N49Very low48.5Very low149 Ų149127.6 Ų127.680%0.79772%0.72SS**THydrogen-bonded Turntrans-88.92.5-177.3-90.2-7.6000114.7I492I492-N494 VanDerWaalsContact C-N 3.32Å; I492-N494 PolarHBondContact O-N 2.85Å
495N50.2Low47.8Very low143 Ų143129.7 Ų129.777%0.76572%0.717SS**SBendtrans-121.48.4-174.2-95-33.3000114.9
496D44.5Very low47.2Very low131 Ų131132.4 Ų132.470%0.70173%0.733SS**  trans-94.9114.1178-146.2-21000110.6N498D496-N498 PolarHBondContact O-N 2.87Å
497P51.2Low46.4Very low125 Ų125131.6 Ų131.681%0.81273%0.726SS**  trans-81.87.6-171.3121.5000114.2F499P497-F499 PolarHBondContact O-N 2.9Å
498N48Very low45.3Very low148 Ų148136.6 Ų136.679%0.79174%0.738SS**  trans-100.840.7-167.8-146.621.7000114.8D496D496-N498 PolarHBondContact O-N 2.87Å
499F43.8Very low44.6Very low193 Ų193141.6 Ų141.685%0.84675%0.748SS**  trans-15172.4172.1-152.6-90.3000112.7P497P497-F499 PolarHBondContact O-N 2.9Å
500T39.7Very low43.7Very low138 Ų138146.2 Ų146.285%0.84776%0.756SS**  trans-170.5101.4142.739.90000109.2
501E41.3Very low42.8Very low180 Ų180151 Ų15184%0.84177%0.773SS**  trans-62.5145.1157.6-71.6-171.4139.900110.1
502T36.5Very low41.9Very low124 Ų124159.2 Ų159.276%0.76181%0.807SS**  153.4147.6124.647.60000112.4
503I39.1Very low41.3Very low155 Ų155160.8 Ų160.880%0.79582%0.815SS**  trans85.590.8164.9-41.7179000114.7
504D33.6Very low40.7Very low132 Ų132160.7 Ų160.771%0.70682%0.816SS**  93.6137.977-159.724.6000114.2
505E37.8Very low40.2Very low161 Ų161161.4 Ų161.475%0.75282%0.817SS**  trans53.4112.4161.6-87.2-178.6170.800122.5
506S36.8Very low39.7Very low111 Ų111162.5 Ų162.578%0.77682%0.82SS**  144.8111.9102.765.30000115.6
507K36.7Very low39.4Very low190 Ų190164.4 Ų164.483%0.82683%0.827SS**  37.9115125.6-138.4-179.8-169.2170.80118.8
508K35.2Very low38.6Very low179 Ų179167.1 Ų167.178%0.77883%0.828SS**  169.1124.9104.9-92.8175.3-178173.50112.5
509E39.8Very low37.9Very low182 Ų182168.4 Ų168.485%0.8583%0.831SS**  trans-62.7142.8153-50.6174.9-171.700110.4
510W36.8Very low37.4Very low229 Ų229166.5 Ų166.587%0.86783%0.83SS**  -169.1150.7121.238.9-99.1000112.9
511L35.4Very low37.2Very low152 Ų152168.9 Ų168.980%0.79683%0.828SS**  trans-59.8155.7-178.1-69.7121.2000115.5
512I37.9Very low36.9Very low232 Ų232167.9 Ų167.9100%1.1983%0.827SS**  -134.1096.2-72.1173.3000107.9

Retrieved 512 of 512 residues in 113.5 ms (Link to these results)

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