A0A096MBV7_POEFO Loading...

Insulin-like growth factor binding protein 7

AlphaFold DB , UniProt , Accession A0A096MBV7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 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
1G69.4Low87.6Confident132 Ų13292.5 Ų92.5100%1.36167%0.667SS**  0150.7000000108.6
2C85Confident87.6Confident78 Ų7895.1 Ų95.153%0.52768%0.678SS.*PPolyproline II helixtrans-72.1149.4174.6-66.10000110.9C27C2-C27 HydrophobicContact CB-CB 3.63Å; C2-C27 WeakPolarHBondContact CB-SG 3.45Å; C2-C27 WeakPolarHBondContact SG-CA 3.27Å; C2-C27 WeakPolarHBondContact SG-CB 3.38Å; C2-C27 CovalentContact SG-SG 2.04Å; C2-C27 PolarHBondContact SG-SG 2.92Å
3A87.3Confident87.5Confident84 Ų8493.2 Ų93.269%0.69465%0.654SS**PPolyproline II helixtrans-70.5162.3168.800000110.7C5A3-C5 PolarHBondContact O-N 2.85Å
4P90.8Very high87.4Confident128 Ų12891.7 Ų91.783%0.83164%0.642SS**PPolyproline II helixtrans-53.2137.1169.9-24.434.5000111.2D6P4-D6 PolarHBondContact O-N 3.34Å
5C91.6Very high87Confident73 Ų7393.5 Ų93.549%0.49366%0.664SS.*PPolyproline II helixtrans-67.8122-178.2175.90000110.9A3 C29A3-C5 PolarHBondContact O-N 2.85Å; C5-C29 WeakPolarHBondContact CA-SG 3.35Å; C5-C29 HydrophobicContact CB-CB 3.64Å; C5-C29 WeakPolarHBondContact CB-SG 3.39Å; C5-C29 WeakPolarHBondContact SG-CA 3.41Å; C5-C29 WeakPolarHBondContact SG-CB 3.32Å; C5-C29 CovalentContact SG-SG 2.04Å; C5-C29 PolarHBondContact SG-SG 3.04Å
6D92.8Very high86.6Confident79 Ų7993.1 Ų93.142%0.42267%0.668SS.*  trans-114.3102.3169.3-175.3-6.7000109.7P4 A8 L9P4-D6 PolarHBondContact O-N 3.34Å; D6-A8 PolarHBondContact O-N 3.06Å; D6-A8 WeakPolarHBondContact OD1-CB 3.31Å; D6-A8 PolarHBondContact OD1-N 3.43Å; D6-L9 HydrophobicContact CB-CD1 4.01Å; D6-L9 HydrophobicContact CB-CG 4.17Å; D6-L9 PolarHBondContact O-N 3.13Å
7P87.4Confident86.1Confident96 Ų9688.9 Ų88.962%0.62364%0.642SS**G310 helixtrans-61-23.3-179.5-24.534.9000114.5L9 C10P7-L9 PolarHBondContact O-N 2.8Å; P7-C10 WeakPolarHBondContact O-CB 3.23Å; P7-C10 PolarHBondContact O-N 2.99Å
8A89.4Confident86Confident90 Ų9084.2 Ų84.274%0.74461%0.608SS**G310 helixtrans-71.3-21.4-17900000112.5D6 C10D6-A8 PolarHBondContact O-N 3.06Å; D6-A8 WeakPolarHBondContact OD1-CB 3.31Å; D6-A8 PolarHBondContact OD1-N 3.43Å; A8-C10 VanDerWaalsContact C-N 3.33Å
9L90.1Very high85.4Confident143 Ų14385.2 Ų85.275%0.74961%0.611SS**G310 helixtrans-87.9-1.8177.8-59.8179.2000113D6 P7D6-L9 HydrophobicContact CB-CD1 4.01Å; D6-L9 HydrophobicContact CB-CG 4.17Å; D6-L9 PolarHBondContact O-N 3.13Å; P7-L9 PolarHBondContact O-N 2.8Å
10C90.6Very high84.9Confident35 Ų3582.8 Ų82.824%0.23660%0.595CS.*SBendtrans-76.4135-178.6-65.60000112.1P7 A8 C30P7-C10 WeakPolarHBondContact O-CB 3.23Å; P7-C10 PolarHBondContact O-N 2.99Å; A8-C10 VanDerWaalsContact C-N 3.33Å; C10-C30 WeakPolarHBondContact CA-SG 3.49Å; C10-C30 HydrophobicContact CB-CB 3.67Å; C10-C30 WeakPolarHBondContact CB-SG 3.38Å; C10-C30 WeakPolarHBondContact SG-CA 3.43Å; C10-C30 WeakPolarHBondContact SG-CB 3.35Å; C10-C30 CovalentContact SG-SG 2.04Å; C10-C30 PolarHBondContact SG-SG 2.94Å
11A89.1Confident84.6Confident80 Ų8079.4 Ų79.466%0.66157%0.573SS**PPolyproline II helixtrans-63.7139.9171.600000110.8
12P87.6Confident85.3Confident123 Ų12376.5 Ų76.580%0.79953%0.532SS*.PPolyproline II helixtrans-68.3145.3176.728.3-33.7000111.1
13L86.6Confident85.2Confident70 Ų7075.3 Ų75.337%0.36652%0.52SS..PPolyproline II helixtrans-67.6153.8172.1-69.5179.6000110.8A15 A31L13-A15 PolarHBondContact O-N 2.84Å; L13-A31 HydrophobicContact CD1-CB 4.14Å; L13-A31 HydrophobicContact CD2-CB 4.49Å; L13-A31 VanDerWaalsContact CD2-O 3.32Å; L13-A31 WeakPolarHBondContact CD2-O 3.27Å; L13-A31 HydrophobicContact CG-CB 4.4Å
14P86.3Confident85.1Confident73 Ų7378.2 Ų78.247%0.47451%0.513SS..PPolyproline II helixtrans-53.9139.7176.6-24.633.6000111.9A16 G17 C33P14-A16 PolarHBondContact O-N 3.02Å; P14-A16 VanDerWaalsContact O-N 3.15Å; P14-G17 WeakPolarHBondContact O-CA 3.15Å; P14-G17 PolarHBondContact O-N 2.88Å; P14-C33 VanDerWaalsContact CD-SG 3.57Å
15A81.5Confident84.7Confident118 Ų11873.9 Ų73.998%0.97548%0.483SS*.THydrogen-bonded Turntrans-59.5-2817900000113L13 G17L13-A15 PolarHBondContact O-N 2.84Å; A15-G17 PolarHBondContact O-N 2.8Å
16A79.6Confident84.2Confident88 Ų8875.8 Ų75.873%0.72750%0.497SS*.THydrogen-bonded Turntrans-73.6-7.4173.700000114P14 R93P14-A16 PolarHBondContact O-N 3.02Å; P14-A16 VanDerWaalsContact O-N 3.15Å; A16-R93 PolarHBondContact O-NH1 3.22Å
17G79.6Confident83.9Confident22 Ų2275.1 Ų75.123%0.22750%0.498CS..  trans72.1171.4-173.400000113.6P14 A15 P19P14-G17 WeakPolarHBondContact O-CA 3.15Å; P14-G17 PolarHBondContact O-N 2.88Å; A15-G17 PolarHBondContact O-N 2.8Å; G17-P19 WeakPolarHBondContact O-CD 3.37Å
18C83.2Confident83.8Confident4 Ų472.8 Ų72.83%0.02749%0.492CS..  trans-92.6110.7-176.7-57.20000112.3A20 G21 C33 R93C18-A20 VanDerWaalsContact C-N 3.28Å; C18-A20 PolarHBondContact O-N 3.1Å; C18-G21 WeakPolarHBondContact CB-O 3.23Å; C18-G21 PolarHBondContact O-N 2.69Å; C18-C33 VanDerWaalsContact CA-SG 3.56Å; C18-C33 HydrophobicContact CB-CB 3.62Å; C18-C33 WeakPolarHBondContact CB-SG 3.4Å; C18-C33 WeakPolarHBondContact SG-CA 3.42Å; C18-C33 WeakPolarHBondContact SG-CB 3.43Å; C18-C33 CovalentContact SG-SG 2.04Å; C18-C33 PolarHBondContact SG-SG 3.29Å; C18-R93 VanDerWaalsContact C-NH2 3.32Å; C18-R93 VanDerWaalsContact N-NH2 3.19Å; C18-R93 PolarHBondContact O-NH2 3.36Å
19P74.7Confident83.8Confident102 Ų10269.2 Ų69.266%0.66246%0.461SS*.THydrogen-bonded Turntrans-60.7-32.7-173.4-24.935.6000114.6G17 M89G17-P19 WeakPolarHBondContact O-CD 3.37Å; P19-M89 WeakPolarHBondContact O-CE 3.36Å
20A76Confident83.8Confident37 Ų3763.5 Ų63.531%0.30643%0.433SS..THydrogen-bonded Turntrans-92.98.917700000113.6C18 A34 A36C18-A20 VanDerWaalsContact C-N 3.28Å; C18-A20 PolarHBondContact O-N 3.1Å; A20-A34 HydrophobicContact CB-CB 4.02Å; A20-A34 WeakPolarHBondContact O-CB 3.28Å; A20-A36 HydrophobicContact CB-CB 4.39Å
21G78.8Confident83.7Confident13 Ų1363.5 Ų63.513%0.13444%0.435CS..  trans89.7177-173.400000112.7C18 A34C18-G21 WeakPolarHBondContact CB-O 3.23Å; C18-G21 PolarHBondContact O-N 2.69Å; G21-A34 VanDerWaalsContact O-CB 3.3Å; G21-A34 WeakPolarHBondContact O-CB 2.92Å; G21-A34 PolarHBondContact O-N 3.3Å
22S82.9Confident83.6Confident71 Ų7162.5 Ų62.550%0.49742%0.42SS..EExtended strand (participates in β ladder)trans-113.6146.9174.954.60000110.8V32S22-V32 CarbonylContact C-O 3.59Å; S22-V32 VanDerWaalsContact CA-O 3.23Å; S22-V32 WeakPolarHBondContact CA-O 3.37Å; S22-V32 WeakPolarHBondContact CB-O 3.4Å
23L82.4Confident83.4Confident52 Ų5259.1 Ų59.127%0.27240%0.399SS..EExtended strand (participates in β ladder)trans-126.4169.9178.4-67.8158.2000108.2A31 V32 A34 P44L23-A31 CarbonylContact O-C 3.5Å; L23-A31 WeakPolarHBondContact O-CA 3.44Å; L23-V32 PolarHBondContact N-O 3.02Å; L23-V32 PolarHBondContact O-N 2.78Å; L23-A34 HydrophobicContact CD1-CB 3.28Å; L23-A34 HydrophobicContact CG-CB 3.94Å; L23-P44 WeakPolarHBondContact CB-O 3.28Å; L23-P44 WeakPolarHBondContact CD1-O 3.42Å; L23-P44 WeakPolarHBondContact CD2-O 3.33Å; L23-P44 WeakPolarHBondContact CG-O 3.33Å
24R85.9Confident83Confident145 Ų14556.5 Ų56.555%0.54739%0.388SS..EExtended strand (participates in β ladder)trans-84.7157.3170.3-65.9-68.7179.2173.9-3.1109.8C29 C30 P44R24-C29 PolarHBondContact NH1-O 2.8Å; R24-C30 CarbonylContact C-O 3.55Å; R24-C30 VanDerWaalsContact CA-O 3.25Å; R24-C30 WeakPolarHBondContact CA-O 3.43Å; R24-P44 WeakPolarHBondContact O-CD 3.15Å; R24-P44 WeakPolarHBondContact O-CG 3.22Å
25D82.8Confident82.7Confident38 Ų3854.3 Ų54.320%0.20338%0.376CS..  trans-63.3176.9168.564.727.7000111.8C27 G28 C29 C30 V32D25-C27 PolarHBondContact O-N 2.82Å; D25-C27 VanDerWaalsContact O-N 3.14Å; D25-C27 VanDerWaalsContact OD1-C 3.26Å; D25-C27 WeakPolarHBondContact OD1-CA 3.49Å; D25-C27 WeakPolarHBondContact OD1-CB 3.5Å; D25-C27 PolarHBondContact OD1-N 2.93Å; D25-G28 PolarHBondContact O-N 3.47Å; D25-G28 PolarHBondContact OD1-N 3.5Å; D25-C29 PolarHBondContact OD1-N 2.83Å; D25-C30 PolarHBondContact N-O 3.48Å; D25-C30 VanDerWaalsContact OD2-CB 3.29Å; D25-C30 WeakPolarHBondContact OD2-CB 3.48Å; D25-C30 PolarHBondContact OD2-N 2.91Å; D25-V32 HydrophobicContact CB-CG1 4.45Å
26S81.9Confident82.5Confident112 Ų11250.4 Ų50.478%0.78334%0.343SS*.THydrogen-bonded Turntrans-62.2-18.3179.452.90000114.3
27C86.5Confident82.3Confident65 Ų6550.5 Ų50.544%0.43933%0.329SS..THydrogen-bonded Turntrans-95.7-0.6175.6-69.30000112.8C2 D25 C29C2-C27 HydrophobicContact CB-CB 3.63Å; C2-C27 WeakPolarHBondContact CB-SG 3.45Å; C2-C27 WeakPolarHBondContact SG-CA 3.27Å; C2-C27 WeakPolarHBondContact SG-CB 3.38Å; C2-C27 CovalentContact SG-SG 2.04Å; C2-C27 PolarHBondContact SG-SG 2.92Å; D25-C27 PolarHBondContact O-N 2.82Å; D25-C27 VanDerWaalsContact O-N 3.14Å; D25-C27 VanDerWaalsContact OD1-C 3.26Å; D25-C27 WeakPolarHBondContact OD1-CA 3.49Å; D25-C27 WeakPolarHBondContact OD1-CB 3.5Å; D25-C27 PolarHBondContact OD1-N 2.93Å; C27-C29 VanDerWaalsContact C-N 3.27Å; C27-C29 PolarHBondContact O-N 2.86Å
28G85.2Confident82.2Confident48 Ų4852 Ų5250%0.49534%0.344SS..SBendtrans75.59-178.200000114.6D25D25-G28 PolarHBondContact O-N 3.47Å; D25-G28 PolarHBondContact OD1-N 3.5Å
29C89.4Confident82Confident14 Ų1456.7 Ų56.710%0.09537%0.366CS..  trans-94.1-71.2-169.6-173.50000112.8C5 R24 D25 C27C5-C29 WeakPolarHBondContact CA-SG 3.35Å; C5-C29 HydrophobicContact CB-CB 3.64Å; C5-C29 WeakPolarHBondContact CB-SG 3.39Å; C5-C29 WeakPolarHBondContact SG-CA 3.41Å; C5-C29 WeakPolarHBondContact SG-CB 3.32Å; C5-C29 CovalentContact SG-SG 2.04Å; C5-C29 PolarHBondContact SG-SG 3.04Å; R24-C29 PolarHBondContact NH1-O 2.8Å; D25-C29 PolarHBondContact OD1-N 2.83Å; C27-C29 VanDerWaalsContact C-N 3.27Å; C27-C29 PolarHBondContact O-N 2.86Å
30C89.4Confident82Confident24 Ų2457.7 Ų57.716%0.16237%0.365CS..SBendtrans-83.9147.4-172.4-61.10000112.6C10 R24 D25C10-C30 WeakPolarHBondContact CA-SG 3.49Å; C10-C30 HydrophobicContact CB-CB 3.67Å; C10-C30 WeakPolarHBondContact CB-SG 3.38Å; C10-C30 WeakPolarHBondContact SG-CA 3.43Å; C10-C30 WeakPolarHBondContact SG-CB 3.35Å; C10-C30 CovalentContact SG-SG 2.04Å; C10-C30 PolarHBondContact SG-SG 2.94Å; R24-C30 CarbonylContact C-O 3.55Å; R24-C30 VanDerWaalsContact CA-O 3.25Å; R24-C30 WeakPolarHBondContact CA-O 3.43Å; D25-C30 PolarHBondContact N-O 3.48Å; D25-C30 VanDerWaalsContact OD2-CB 3.29Å; D25-C30 WeakPolarHBondContact OD2-CB 3.48Å; D25-C30 PolarHBondContact OD2-N 2.91Å
31A88Confident81.6Confident34 Ų3456.5 Ų56.528%0.28136%0.355SS..EExtended strand (participates in β ladder)trans-79.4127.8170.800000109.6L13 L23L13-A31 HydrophobicContact CD1-CB 4.14Å; L13-A31 HydrophobicContact CD2-CB 4.49Å; L13-A31 VanDerWaalsContact CD2-O 3.32Å; L13-A31 WeakPolarHBondContact CD2-O 3.27Å; L13-A31 HydrophobicContact CG-CB 4.4Å; L23-A31 CarbonylContact O-C 3.5Å; L23-A31 WeakPolarHBondContact O-CA 3.44Å
32V87.2Confident80.6Confident59 Ų5960 Ų6036%0.35839%0.39SS..EExtended strand (participates in β ladder)trans-127.9151.1178.3-62.80000109.7S22 L23 D25 A34S22-V32 CarbonylContact C-O 3.59Å; S22-V32 VanDerWaalsContact CA-O 3.23Å; S22-V32 WeakPolarHBondContact CA-O 3.37Å; S22-V32 WeakPolarHBondContact CB-O 3.4Å; L23-V32 PolarHBondContact N-O 3.02Å; L23-V32 PolarHBondContact O-N 2.78Å; D25-V32 HydrophobicContact CB-CG1 4.45Å; V32-A34 PolarHBondContact O-N 2.7Å
33C84.1Confident79.5Confident53 Ų5359.3 Ų59.336%0.35840%0.395SS..EExtended strand (participates in β ladder)trans-66.8136.6173.9-68.50000110.6P14 C18P14-C33 VanDerWaalsContact CD-SG 3.57Å; C18-C33 VanDerWaalsContact CA-SG 3.56Å; C18-C33 HydrophobicContact CB-CB 3.62Å; C18-C33 WeakPolarHBondContact CB-SG 3.4Å; C18-C33 WeakPolarHBondContact SG-CA 3.42Å; C18-C33 WeakPolarHBondContact SG-CB 3.43Å; C18-C33 CovalentContact SG-SG 2.04Å; C18-C33 PolarHBondContact SG-SG 3.29Å
34A78.8Confident78Confident14 Ų1459.9 Ų59.912%0.11640%0.401CS..PPolyproline II helixtrans-67.2144.5171.500000110.7A20 G21 L23 V32A20-A34 HydrophobicContact CB-CB 4.02Å; A20-A34 WeakPolarHBondContact O-CB 3.28Å; G21-A34 VanDerWaalsContact O-CB 3.3Å; G21-A34 WeakPolarHBondContact O-CB 2.92Å; G21-A34 PolarHBondContact O-N 3.3Å; L23-A34 HydrophobicContact CD1-CB 3.28Å; L23-A34 HydrophobicContact CG-CB 3.94Å; V32-A34 PolarHBondContact O-N 2.7Å
35A79.8Confident76.6Confident27 Ų2755.3 Ų55.322%0.22340%0.4CS..PPolyproline II helixtrans-66.6142.3167.800000110.1E39 L46A35-E39 VanDerWaalsContact CA-OE2 3.31Å; A35-E39 WeakPolarHBondContact CA-OE2 2.99Å; A35-E39 HydrophobicContact CB-CB 4.13Å; A35-L46 WeakPolarHBondContact O-CD1 3.43Å
36A75.5Confident75.5Confident36 Ų3656.9 Ų56.930%0.29841%0.407SS..PPolyproline II helixtrans-78.9164.4174.400000111.9A20 G38 E39 C62A20-A36 HydrophobicContact CB-CB 4.39Å; A36-G38 PolarHBondContact O-N 2.91Å; A36-E39 HydrophobicContact CB-CG 4.06Å; A36-E39 PolarHBondContact N-OE2 2.75Å; A36-E39 WeakPolarHBondContact O-CB 3.39Å; A36-E39 PolarHBondContact O-N 3.12Å; A36-C62 VanDerWaalsContact O-CB 3.3Å; A36-C62 WeakPolarHBondContact O-CB 3.47Å
37E76.8Confident74.9Confident90 Ų9057 Ų5742%0.42140%0.396SS..THydrogen-bonded Turntrans-57.6127.6172.3-176.3170.1-153.600110.4C62 C64E37-C62 WeakPolarHBondContact CA-O 3.5Å; E37-C64 VanDerWaalsContact OE1-CB 3.24Å; E37-C64 WeakPolarHBondContact OE1-CB 2.97Å; E37-C64 PolarHBondContact OE1-N 2.98Å
38G76.4Confident74.3Confident54 Ų5456.7 Ų56.756%0.55739%0.393SS*.THydrogen-bonded Turntrans89.9-10.2-175.100000115.4A36 C62A36-G38 PolarHBondContact O-N 2.91Å; G38-C62 PolarHBondContact N-O 2.88Å
39E79.5Confident73.8Confident103 Ų10357 Ų5748%0.48139%0.386SS..SBendtrans-81.7160.8174.6-65.9-176.216700112.1A35 A36 C41 V61 C62A35-E39 VanDerWaalsContact CA-OE2 3.31Å; A35-E39 WeakPolarHBondContact CA-OE2 2.99Å; A35-E39 HydrophobicContact CB-CB 4.13Å; A36-E39 HydrophobicContact CB-CG 4.06Å; A36-E39 PolarHBondContact N-OE2 2.75Å; A36-E39 WeakPolarHBondContact O-CB 3.39Å; A36-E39 PolarHBondContact O-N 3.12Å; E39-C41 PolarHBondContact O-N 3.47Å; E39-V61 CarbonylContact O-C 3.58Å; E39-V61 VanDerWaalsContact O-CA 3.28Å; E39-V61 WeakPolarHBondContact O-CA 3.33Å; E39-C62 PolarHBondContact O-N 2.98Å
40L74.3Confident72.9Confident122 Ų12264.3 Ų64.364%0.63941%0.411SS*.EExtended strand (participates in β ladder)trans-62124.1177.7-67.6172.9000110.7T59 G60L40-T59 HydrophobicContact CD2-CG2 4Å; L40-G60 WeakPolarHBondContact CA-O 3.48Å
41C69.1Low71.5Confident13 Ų1367.9 Ų67.99%0.08844%0.437CS..EExtended strand (participates in β ladder)trans-95.4137.1178.454.70000112.1E39 C48 G60 V61 C62E39-C41 PolarHBondContact O-N 3.47Å; C41-C48 HydrophobicContact CB-CB 3.68Å; C41-C48 WeakPolarHBondContact CB-SG 3.4Å; C41-C48 WeakPolarHBondContact SG-CA 3.32Å; C41-C48 WeakPolarHBondContact SG-CB 3.18Å; C41-C48 CovalentContact SG-SG 2.01Å; C41-C48 PolarHBondContact SG-SG 2.86Å; C41-G60 PolarHBondContact N-O 3.34Å; C41-G60 WeakPolarHBondContact SG-CA 3.41Å; C41-G60 PolarHBondContact SG-O 2.64Å; C41-V61 VanDerWaalsContact SG-CA 3.59Å; C41-V61 PolarHBondContact SG-N 2.92Å; C41-V61 PolarHBondContact SG-O 2.91Å; C41-V61 VanDerWaalsContact SG-O 3.34Å; C41-C62 HydrophobicContact CB-CB 4.46Å; C41-C62 WeakPolarHBondContact CB-SG 3.41Å
42G57.2Low70.1Confident86 Ų8669.6 Ų69.689%0.88746%0.457SS*.  trans-170.85.4179.200000115.4
43G58.9Low68.6Low57 Ų5774.8 Ų74.859%0.58848%0.483SS*.SBendtrans-126.8168.9176.400000111.5
44P51.5Low67.2Low63 Ų6378.1 Ų78.141%0.40950%0.497SS..SBendtrans-76.1129.6-171.830.7-34.4000111.8L23 R24L23-P44 WeakPolarHBondContact CB-O 3.28Å; L23-P44 WeakPolarHBondContact CD1-O 3.42Å; L23-P44 WeakPolarHBondContact CD2-O 3.33Å; L23-P44 WeakPolarHBondContact CG-O 3.33Å; R24-P44 WeakPolarHBondContact O-CD 3.15Å; R24-P44 WeakPolarHBondContact O-CG 3.22Å
45G57.5Low66.1Low50 Ų5087.8 Ų87.852%0.51554%0.537SS..SBendtrans133.36.3163.900000119.2
46L59.4Low64.9Low70 Ų7097.3 Ų97.337%0.36657%0.567SS.*SBendtrans-140.5160.2166.2-76.3172.8000110.1A35 C48 C62A35-L46 WeakPolarHBondContact O-CD1 3.43Å; L46-C48 PolarHBondContact O-N 2.93Å; L46-C62 HydrophobicContact CB-CB 4.39Å; L46-C62 HydrophobicContact CD1-CB 3.82Å; L46-C62 VanDerWaalsContact CD1-SG 3.53Å
47E67.9Low64Low116 Ų11698 Ų9854%0.54257%0.57SS.*EExtended strand (participates in β ladder)trans-77.4114.4175.1-168.9166.6-17500109.2V49 A63E47-V49 PolarHBondContact O-N 3.38Å; E47-A63 PolarHBondContact O-N 2.89Å
48C74.3Confident63Low57 Ų57103.1 Ų103.139%0.38559%0.591SS.*EExtended strand (participates in β ladder)trans-84.399.9-178-169.60000108.6C41 L46C41-C48 HydrophobicContact CB-CB 3.68Å; C41-C48 WeakPolarHBondContact CB-SG 3.4Å; C41-C48 WeakPolarHBondContact SG-CA 3.32Å; C41-C48 WeakPolarHBondContact SG-CB 3.18Å; C41-C48 CovalentContact SG-SG 2.01Å; C41-C48 PolarHBondContact SG-SG 2.86Å; L46-C48 PolarHBondContact O-N 2.93Å
49V75.8Confident62.3Low55 Ų55104.4 Ų104.433%0.33359%0.588SS.*EExtended strand (participates in β ladder)trans-87.3132.7178.3-61.30000109.5E47 G60 V61 A63E47-V49 PolarHBondContact O-N 3.38Å; V49-G60 CarbonylContact O-C 3.53Å; V49-G60 VanDerWaalsContact O-CA 3.3Å; V49-G60 WeakPolarHBondContact O-CA 3.32Å; V49-V61 HydrophobicContact CG2-CG2 3.79Å; V49-V61 WeakPolarHBondContact CG2-O 3.39Å; V49-V61 PolarHBondContact N-O 2.87Å; V49-V61 PolarHBondContact O-N 2.82Å; V49-A63 HydrophobicContact CB-CB 4.3Å; V49-A63 HydrophobicContact CG1-CB 3.78Å; V49-A63 HydrophobicContact CG2-CB 3.5Å
50R70Confident62Low167 Ų16799.7 Ų99.763%0.6357%0.567SS**PPolyproline II helixtrans-92.2126.2172.2-70.8-178.714593.33.5108.1G52 S57R50-G52 PolarHBondContact O-N 2.91Å; R50-S57 PolarHBondContact NE-O 2.82Å
51S59.1Low62.3Low100 Ų10096.2 Ų96.270%0.69955%0.551SS**PPolyproline II helixtrans-66.5121.9165.4-650000108.7
52G60.2Low62.7Low69 Ų6996 Ų9671%0.71155%0.549SS*.THydrogen-bonded Turntrans-63141.3164.700000109R50R50-G52 PolarHBondContact O-N 2.91Å
53D55.1Low63.9Low168 Ų16893.2 Ų93.290%0.89852%0.518SS*.THydrogen-bonded Turncis-132.413.840.2-92.2-43.6000115K55D53-K55 PolarHBondContact O-N 2.03Å
54D54.7Low65Low123 Ų12390.9 Ų90.966%0.65849%0.493SS*.  trans-9994.5-178.4-115.7-35.4000111.6R56 S57D54-R56 PolarHBondContact O-N 2.85Å; D54-S57 PolarHBondContact O-N 2.78Å
55K55.9Low66.4Low218 Ų21896 Ų9695%0.94851%0.508SS*.THydrogen-bonded Turntrans-57.22.5172.6-78.1179.8178.41750114.3D53D53-K55 PolarHBondContact O-N 2.03Å
56R54.9Low67.7Low226 Ų22695.3 Ų95.385%0.85349%0.494SS*.THydrogen-bonded Turntrans-106.5-8.5177-72.1179.3176173.1-0.1114.6D54 K58D54-R56 PolarHBondContact O-N 2.85Å; R56-K58 PolarHBondContact O-N 2.86Å
57S55.4Low68.8Low52 Ų5298.2 Ų98.236%0.36451%0.51SS..  trans-75.8116.7177.6-1740000111.7R50 D54 T59R50-S57 PolarHBondContact NE-O 2.82Å; D54-S57 PolarHBondContact O-N 2.78Å; S57-T59 PolarHBondContact O-N 3.22Å; S57-T59 PolarHBondContact OG-N 2.77Å; S57-T59 PolarHBondContact OG-O 2.82Å; S57-T59 PolarHBondContact OG-OG1 2.54Å
58K56.8Low69.9Low196 Ų19697.3 Ų97.385%0.85250%0.502SS*.  trans-78.4-6.2173-68.6-173.4-178.7179.90112.9R56R56-K58 PolarHBondContact O-N 2.86Å
59T60.7Low71Confident82 Ų8298.8 Ų98.850%0.50350%0.504SS..  trans-107.7123.1-174.418.20000110.4L40 S57L40-T59 HydrophobicContact CD2-CG2 4Å; S57-T59 PolarHBondContact O-N 3.22Å; S57-T59 PolarHBondContact OG-N 2.77Å; S57-T59 PolarHBondContact OG-O 2.82Å; S57-T59 PolarHBondContact OG-OG1 2.54Å
60G72.5Confident71.9Confident3 Ų396.2 Ų96.23%0.03149%0.488CS..EExtended strand (participates in β ladder)trans-106.2176.7168.200000111L40 C41 V49L40-G60 WeakPolarHBondContact CA-O 3.48Å; C41-G60 PolarHBondContact N-O 3.34Å; C41-G60 WeakPolarHBondContact SG-CA 3.41Å; C41-G60 PolarHBondContact SG-O 2.64Å; V49-G60 CarbonylContact O-C 3.53Å; V49-G60 VanDerWaalsContact O-CA 3.3Å; V49-G60 WeakPolarHBondContact O-CA 3.32Å
61V81.1Confident73.2Confident50 Ų5088.3 Ų88.330%0.30346%0.458SS..EExtended strand (participates in β ladder)trans-113.1147.3168-64.60000111.3E39 C41 V49 A63E39-V61 CarbonylContact O-C 3.58Å; E39-V61 VanDerWaalsContact O-CA 3.28Å; E39-V61 WeakPolarHBondContact O-CA 3.33Å; C41-V61 VanDerWaalsContact SG-CA 3.59Å; C41-V61 PolarHBondContact SG-N 2.92Å; C41-V61 PolarHBondContact SG-O 2.91Å; C41-V61 VanDerWaalsContact SG-O 3.34Å; V49-V61 HydrophobicContact CG2-CG2 3.79Å; V49-V61 WeakPolarHBondContact CG2-O 3.39Å; V49-V61 PolarHBondContact N-O 2.87Å; V49-V61 PolarHBondContact O-N 2.82Å; V61-A63 PolarHBondContact O-N 2.83Å
62C78.4Confident75Confident7 Ų783.6 Ų83.65%0.04743%0.425CS..EExtended strand (participates in β ladder)trans-67.8122.7172.2-83.40000110.1A36 E37 G38 E39 C41 L46A36-C62 VanDerWaalsContact O-CB 3.3Å; A36-C62 WeakPolarHBondContact O-CB 3.47Å; E37-C62 WeakPolarHBondContact CA-O 3.5Å; G38-C62 PolarHBondContact N-O 2.88Å; E39-C62 PolarHBondContact O-N 2.98Å; C41-C62 HydrophobicContact CB-CB 4.46Å; C41-C62 WeakPolarHBondContact CB-SG 3.41Å; L46-C62 HydrophobicContact CB-CB 4.39Å; L46-C62 HydrophobicContact CD1-CB 3.82Å; L46-C62 VanDerWaalsContact CD1-SG 3.53Å
63A81.6Confident76.8Confident29 Ų2983.1 Ų83.124%0.2441%0.411CS..EExtended strand (participates in β ladder)trans-116.5148.3171.900000111.8E47 V49 V61 K65E47-A63 PolarHBondContact O-N 2.89Å; V49-A63 HydrophobicContact CB-CB 4.3Å; V49-A63 HydrophobicContact CG1-CB 3.78Å; V49-A63 HydrophobicContact CG2-CB 3.5Å; V61-A63 PolarHBondContact O-N 2.83Å; A63-K65 PolarHBondContact O-N 2.88Å
64C82.1Confident78.7Confident8 Ų878.3 Ų78.35%0.05439%0.385CS..  trans-72.3121.7175-1690000111.3E37 T66 C82E37-C64 VanDerWaalsContact OE1-CB 3.24Å; E37-C64 WeakPolarHBondContact OE1-CB 2.97Å; E37-C64 PolarHBondContact OE1-N 2.98Å; C64-T66 PolarHBondContact O-N 3.35Å; C64-T66 PolarHBondContact SG-N 3.08Å; C64-T66 PolarHBondContact SG-O 3.5Å; C64-T66 VanDerWaalsContact SG-O 3.39Å; C64-C82 WeakPolarHBondContact CA-SG 3.31Å; C64-C82 HydrophobicContact CB-CB 3.8Å; C64-C82 WeakPolarHBondContact CB-SG 3.22Å; C64-C82 WeakPolarHBondContact SG-CB 3.36Å; C64-C82 PolarHBondContact SG-N 2.82Å; C64-C82 CovalentContact SG-SG 2.03Å; C64-C82 PolarHBondContact SG-SG 2.64Å
65K81.5Confident80.5Confident170 Ų17074.8 Ų74.874%0.73938%0.378SS*.SBendtrans-59.5-31.7172.3-173.6172.9-176.81730112.9A63 N67A63-K65 PolarHBondContact O-N 2.88Å; K65-N67 PolarHBondContact O-N 2.78Å
66T83.6Confident82.5Confident36 Ų3667.5 Ų67.522%0.22135%0.352CS..  trans-100.768.4176.9-49.80000109.3C64 Y68 V70 S80 G81C64-T66 PolarHBondContact O-N 3.35Å; C64-T66 PolarHBondContact SG-N 3.08Å; C64-T66 PolarHBondContact SG-O 3.5Å; C64-T66 VanDerWaalsContact SG-O 3.39Å; T66-Y68 HydrophobicContact CG2-CD1 4.07Å; T66-Y68 HydrophobicContact CG2-CD2 4.3Å; T66-Y68 HydrophobicContact CG2-CE1 3.6Å; T66-Y68 HydrophobicContact CG2-CE2 3.83Å; T66-Y68 HydrophobicContact CG2-CG 4.41Å; T66-Y68 VanDerWaalsContact CG2-CZ 3.47Å; T66-Y68 PolarHBondContact O-N 3.3Å; T66-V70 HydrophobicContact CG2-CG1 3.99Å; T66-S80 WeakPolarHBondContact O-CA 3.37Å; T66-S80 WeakPolarHBondContact O-CB 3.3Å; T66-G81 PolarHBondContact O-N 3.41Å
67N83.5Confident84.5Confident130 Ų13059 Ų5970%0.69533%0.325SS*.  trans-77.713.1-17767-13.9000114.7K65K65-N67 PolarHBondContact O-N 2.78Å
68Y90.7Very high86.4Confident98 Ų9857.8 Ų57.838%0.38431%0.312SS..SBendtrans-112.9158.3176.358.6-91000110.9T66 V70 R79 S80 K104T66-Y68 HydrophobicContact CG2-CD1 4.07Å; T66-Y68 HydrophobicContact CG2-CD2 4.3Å; T66-Y68 HydrophobicContact CG2-CE1 3.6Å; T66-Y68 HydrophobicContact CG2-CE2 3.83Å; T66-Y68 HydrophobicContact CG2-CG 4.41Å; T66-Y68 VanDerWaalsContact CG2-CZ 3.47Å; T66-Y68 PolarHBondContact O-N 3.3Å; Y68-V70 HydrophobicContact CD2-CG1 4.17Å; Y68-V70 HydrophobicContact CE2-CG1 3.88Å; Y68-R79 CarbonylContact C-O 3.43Å; Y68-S80 WeakPolarHBondContact O-CA 3.42Å; Y68-K104 HydrophobicContact CE2-CB 3.97Å; Y68-K104 HydrophobicContact CE2-CD 3.99Å; Y68-K104 HydrophobicContact CE2-CG 3.82Å; Y68-K104 WeakPolarHBondContact OH-CE 3.15Å
69Q96.4Very high88.2Confident88 Ų8856.8 Ų56.841%0.41130%0.304SS..  trans-61.1144.8179.1-70.6175.890.400112.1T77 Y78 G105Q69-T77 HydrophobicContact CB-CG2 4.24Å; Q69-T77 HydrophobicContact CG-CG2 4.47Å; Q69-Y78 CarbonylContact C-O 3.6Å; Q69-Y78 WeakPolarHBondContact CA-O 3.45Å; Q69-G105 CarbonylContact C-O 3.44Å; Q69-G105 VanDerWaalsContact O-CA 3.23Å; Q69-G105 WeakPolarHBondContact O-CA 3.11Å; Q69-G105 PolarHBondContact O-N 2.92Å
70V96.6Very high89.7Confident1 Ų153.1 Ų53.11%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-135147175.9-64.30000111T66 Y68 Y78 L84 V101 G105T66-V70 HydrophobicContact CG2-CG1 3.99Å; Y68-V70 HydrophobicContact CD2-CG1 4.17Å; Y68-V70 HydrophobicContact CE2-CG1 3.88Å; V70-Y78 PolarHBondContact N-O 3.28Å; V70-Y78 PolarHBondContact O-N 3.06Å; V70-L84 HydrophobicContact CG2-CB 4.03Å; V70-L84 HydrophobicContact CG2-CD1 3.66Å; V70-V101 HydrophobicContact CB-CG1 4.2Å; V70-V101 HydrophobicContact CB-CG2 4.36Å; V70-V101 HydrophobicContact CG1-CG1 4.37Å; V70-V101 HydrophobicContact CG2-CG2 4.36Å; V70-G105 CarbonylContact C-O 3.52Å; V70-G105 WeakPolarHBondContact CA-O 3.35Å; V70-G105 PolarHBondContact N-O 3.37Å
71C97.3Very high90.6Very high1 Ų153.2 Ų53.21%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-89.4126.3171.7-177.20000109.4V101 Q102 N103 G105 C107C71-V101 CarbonylContact O-C 3.44Å; C71-V101 WeakPolarHBondContact O-CA 3.02Å; C71-Q102 PolarHBondContact O-N 3.34Å; C71-N103 WeakPolarHBondContact CB-OD1 3.35Å; C71-N103 PolarHBondContact N-O 3.19Å; C71-G105 PolarHBondContact N-O 3.37Å; C71-C107 WeakPolarHBondContact CA-SG 3.31Å; C71-C107 HydrophobicContact CB-CB 3.98Å; C71-C107 WeakPolarHBondContact CB-SG 3.23Å; C71-C107 WeakPolarHBondContact SG-CA 3.38Å; C71-C107 WeakPolarHBondContact SG-CB 3.02Å; C71-C107 CovalentContact SG-SG 2.04Å; C71-C107 PolarHBondContact SG-SG 3.36Å
72G96.9Very high90.9Very high0 Ų052.5 Ų52.50%028%0.279CS..EExtended strand (participates in β ladder)trans-81.6156.2172.300000112.2D74 G75 T76 S100G72-D74 WeakPolarHBondContact CA-OD1 3.02Å; G72-D74 PolarHBondContact O-N 3.03Å; G72-D74 VanDerWaalsContact O-N 3.11Å; G72-G75 PolarHBondContact O-N 2.79Å; G72-T76 PolarHBondContact N-O 3.18Å; G72-S100 CarbonylContact C-O 3.57Å; G72-S100 VanDerWaalsContact CA-O 3.29Å; G72-S100 WeakPolarHBondContact CA-O 3.49Å
73S96.4Very high91.5Very high59 Ų5953.8 Ų53.841%0.41329%0.287SS..THydrogen-bonded Turntrans-62.3-11.5171.755.50000113.6G75 S100S73-G75 VanDerWaalsContact C-N 3.29Å; S73-S100 PolarHBondContact N-O 3.47Å; S73-S100 PolarHBondContact OG-N 3.45Å; S73-S100 PolarHBondContact OG-OG 2.87Å
74D94.6Very high92.1Very high68 Ų6852.7 Ų52.736%0.36428%0.277SS..THydrogen-bonded Turntrans-85.42.7171.966.7-22.4000113.2G72 T76 Y78 I99G72-D74 WeakPolarHBondContact CA-OD1 3.02Å; G72-D74 PolarHBondContact O-N 3.03Å; G72-D74 VanDerWaalsContact O-N 3.11Å; D74-T76 PolarHBondContact O-N 3.29Å; D74-T76 WeakPolarHBondContact OD1-CB 3.49Å; D74-T76 PolarHBondContact OD1-N 3.48Å; D74-T76 VanDerWaalsContact OD1-N 3.08Å; D74-T76 VanDerWaalsContact OD2-CB 3.29Å; D74-T76 WeakPolarHBondContact OD2-CB 3.34Å; D74-T76 PolarHBondContact OD2-OG1 3Å; D74-Y78 WeakPolarHBondContact OD1-CE2 3.03Å; D74-Y78 PolarHBondContact OD2-OH 3.34Å; D74-I99 HydrophobicContact CB-CG1 4.47Å; D74-I99 HydrophobicContact CB-CG2 4.32Å
75G94.4Very high92.5Very high49 Ų4958.7 Ų58.751%0.50530%0.302SS..SBendtrans75.85.5-176.600000114.1G72 S73 C107G72-G75 PolarHBondContact O-N 2.79Å; S73-G75 VanDerWaalsContact C-N 3.29Å; G75-C107 PolarHBondContact O-SG 3.39Å
76T96.3Very high92.9Very high64 Ų6453 Ų5339%0.39328%0.283SS..PPolyproline II helixtrans-91.9134.4179.8-56.70000110.7G72 D74 Y78 C107G72-T76 PolarHBondContact N-O 3.18Å; D74-T76 PolarHBondContact O-N 3.29Å; D74-T76 WeakPolarHBondContact OD1-CB 3.49Å; D74-T76 PolarHBondContact OD1-N 3.48Å; D74-T76 VanDerWaalsContact OD1-N 3.08Å; D74-T76 VanDerWaalsContact OD2-CB 3.29Å; D74-T76 WeakPolarHBondContact OD2-CB 3.34Å; D74-T76 PolarHBondContact OD2-OG1 3Å; T76-Y78 HydrophobicContact CG2-CD2 4.42Å; T76-Y78 HydrophobicContact CG2-CE1 4.46Å; T76-Y78 HydrophobicContact CG2-CE2 3.97Å; T76-Y78 VanDerWaalsContact O-CD2 3.23Å; T76-Y78 WeakPolarHBondContact O-CD2 2.92Å; T76-Y78 WeakPolarHBondContact O-CE2 3.43Å; T76-C107 PolarHBondContact O-SG 3.02Å; T76-C107 VanDerWaalsContact O-SG 3.41Å
77T96.6Very high93.3Very high47 Ų4752.5 Ų52.529%0.28828%0.283SS..EExtended strand (participates in β ladder)trans-83.6121170.1-59.80000110.3Q69 R106 C107Q69-T77 HydrophobicContact CB-CG2 4.24Å; Q69-T77 HydrophobicContact CG-CG2 4.47Å; T77-R106 HydrophobicContact CG2-CB 4Å; T77-R106 HydrophobicContact CG2-CG 3.98Å; T77-C107 PolarHBondContact OG1-N 3.37Å
78Y95.7Very high93.8Very high27 Ų2747 Ų4711%0.10625%0.254CS..EExtended strand (participates in β ladder)trans-99.8140176.4-65.8-91.1000110.7Q69 V70 D74 T76 S80 V83 L84 A87 I99Q69-Y78 CarbonylContact C-O 3.6Å; Q69-Y78 WeakPolarHBondContact CA-O 3.45Å; V70-Y78 PolarHBondContact N-O 3.28Å; V70-Y78 PolarHBondContact O-N 3.06Å; D74-Y78 WeakPolarHBondContact OD1-CE2 3.03Å; D74-Y78 PolarHBondContact OD2-OH 3.34Å; T76-Y78 HydrophobicContact CG2-CD2 4.42Å; T76-Y78 HydrophobicContact CG2-CE1 4.46Å; T76-Y78 HydrophobicContact CG2-CE2 3.97Å; T76-Y78 VanDerWaalsContact O-CD2 3.23Å; T76-Y78 WeakPolarHBondContact O-CD2 2.92Å; T76-Y78 WeakPolarHBondContact O-CE2 3.43Å; Y78-S80 PolarHBondContact O-N 3.26Å; Y78-V83 HydrophobicContact CD1-CG1 4.07Å; Y78-L84 HydrophobicContact CD1-CB 4.11Å; Y78-L84 HydrophobicContact CD2-CB 3.93Å; Y78-L84 HydrophobicContact CD2-CD1 3.72Å; Y78-L84 HydrophobicContact CD2-CG 3.9Å; Y78-L84 HydrophobicContact CE2-CD1 4.18Å; Y78-L84 HydrophobicContact CE2-CG 4.15Å; Y78-L84 HydrophobicContact CG-CB 3.7Å; Y78-L84 HydrophobicContact CG-CD1 4.32Å; Y78-L84 HydrophobicContact CG-CG 4.21Å; Y78-A87 HydrophobicContact CD1-CB 4.4Å; Y78-A87 HydrophobicContact CE1-CB 3.49Å; Y78-A87 VanDerWaalsContact CE1-CB 3.49Å; Y78-I99 HydrophobicContact CE2-CG2 4.11Å; Y78-I99 WeakPolarHBondContact OH-CD1 3.45Å
79R94.5Very high93.7Very high176 Ų17644.6 Ų44.666%0.66425%0.247SC*.SBendtrans-62.4-26.1-179.367.1-178.4179.6123.87.5114.3Y68 V83Y68-R79 CarbonylContact C-O 3.43Å; R79-V83 HydrophobicContact CG-CB 4.26Å; R79-V83 HydrophobicContact CG-CG1 4.44Å; R79-V83 HydrophobicContact CG-CG2 3.78Å
80S92.6Very high93.4Very high5 Ų543.4 Ų43.44%0.03525%0.253CS..SBendtrans-154159.1178.678.60000110.1T66 Y68 Y78 C82 V83 L84T66-S80 WeakPolarHBondContact O-CA 3.37Å; T66-S80 WeakPolarHBondContact O-CB 3.3Å; Y68-S80 WeakPolarHBondContact O-CA 3.42Å; Y78-S80 PolarHBondContact O-N 3.26Å; S80-C82 PolarHBondContact O-N 2.96Å; S80-C82 PolarHBondContact OG-N 2.01Å; S80-V83 PolarHBondContact O-N 3.34Å; S80-V83 VanDerWaalsContact OG-CG2 3.31Å; S80-V83 WeakPolarHBondContact OG-CG2 3.1Å; S80-V83 PolarHBondContact OG-N 2.61Å; S80-L84 PolarHBondContact O-N 2.8Å
81G90.7Very high93.1Very high5 Ų544 Ų445%0.05226%0.258CS..Hα-helixtrans-64.1-24.2174.900000113.5T66 K85T66-G81 PolarHBondContact O-N 3.41Å; G81-K85 WeakPolarHBondContact O-CG 3.32Å; G81-K85 PolarHBondContact O-N 2.92Å; G81-K85 VanDerWaalsContact O-N 3.08Å
82C88.3Confident92.8Very high34 Ų3449 Ų4923%0.2328%0.281CS..Hα-helixtrans-73.7-36.5177.5-570000111.8C64 S80 L84 K85 S86C64-C82 WeakPolarHBondContact CA-SG 3.31Å; C64-C82 HydrophobicContact CB-CB 3.8Å; C64-C82 WeakPolarHBondContact CB-SG 3.22Å; C64-C82 WeakPolarHBondContact SG-CB 3.36Å; C64-C82 PolarHBondContact SG-N 2.82Å; C64-C82 CovalentContact SG-SG 2.03Å; C64-C82 PolarHBondContact SG-SG 2.64Å; S80-C82 PolarHBondContact O-N 2.96Å; S80-C82 PolarHBondContact OG-N 2.01Å; C82-L84 VanDerWaalsContact C-N 3.35Å; C82-K85 PolarHBondContact O-N 3.47Å; C82-S86 PolarHBondContact O-N 3.33Å; C82-S86 PolarHBondContact O-OG 3.18Å
83V91.3Very high92.3Very high35 Ų3555.1 Ų55.121%0.21230%0.304CS..Hα-helixtrans-69.3-36175.5-179.80000110.9Y78 R79 S80 S86 A87Y78-V83 HydrophobicContact CD1-CG1 4.07Å; R79-V83 HydrophobicContact CG-CB 4.26Å; R79-V83 HydrophobicContact CG-CG1 4.44Å; R79-V83 HydrophobicContact CG-CG2 3.78Å; S80-V83 PolarHBondContact O-N 3.34Å; S80-V83 VanDerWaalsContact OG-CG2 3.31Å; S80-V83 WeakPolarHBondContact OG-CG2 3.1Å; S80-V83 PolarHBondContact OG-N 2.61Å; V83-S86 WeakPolarHBondContact CA-OG 3.22Å; V83-S86 PolarHBondContact O-OG 2.6Å; V83-A87 WeakPolarHBondContact O-CB 2.97Å; V83-A87 PolarHBondContact O-N 2.8Å
84L93.8Very high92Very high6 Ų655.1 Ų55.13%0.03131%0.314CS..Hα-helixtrans-62.3-44.9170.7-176.6155.8000111.2V70 Y78 S80 C82 S86 A87 S88 I99 V101V70-L84 HydrophobicContact CG2-CB 4.03Å; V70-L84 HydrophobicContact CG2-CD1 3.66Å; Y78-L84 HydrophobicContact CD1-CB 4.11Å; Y78-L84 HydrophobicContact CD2-CB 3.93Å; Y78-L84 HydrophobicContact CD2-CD1 3.72Å; Y78-L84 HydrophobicContact CD2-CG 3.9Å; Y78-L84 HydrophobicContact CE2-CD1 4.18Å; Y78-L84 HydrophobicContact CE2-CG 4.15Å; Y78-L84 HydrophobicContact CG-CB 3.7Å; Y78-L84 HydrophobicContact CG-CD1 4.32Å; Y78-L84 HydrophobicContact CG-CG 4.21Å; S80-L84 PolarHBondContact O-N 2.8Å; C82-L84 VanDerWaalsContact C-N 3.35Å; L84-S86 PolarHBondContact O-N 3.31Å; L84-A87 PolarHBondContact O-N 3.5Å; L84-S88 WeakPolarHBondContact O-CB 3.24Å; L84-S88 PolarHBondContact O-N 3.28Å; L84-I99 HydrophobicContact CD1-CG2 4.4Å; L84-I99 HydrophobicContact CD2-CG2 4.36Å; L84-I99 VanDerWaalsContact CD2-O 3.3Å; L84-I99 WeakPolarHBondContact CD2-O 3.5Å; L84-I99 HydrophobicContact CG-CG2 4.11Å; L84-V101 HydrophobicContact CD1-CG2 3.82Å; L84-V101 HydrophobicContact CD2-CG2 4.25Å
85K90.7Very high91.8Very high133 Ų13355.5 Ų55.558%0.57833%0.333SS*.Hα-helixtrans-61.7-42.9178.4-75.7175.6-178-176.30112.5G81 C82 S88 M89G81-K85 WeakPolarHBondContact O-CG 3.32Å; G81-K85 PolarHBondContact O-N 2.92Å; G81-K85 VanDerWaalsContact O-N 3.08Å; C82-K85 PolarHBondContact O-N 3.47Å; K85-S88 PolarHBondContact O-N 3.49Å; K85-M89 WeakPolarHBondContact O-CG 3.21Å; K85-M89 PolarHBondContact O-N 3.37Å
86S89.2Confident91.8Very high50 Ų5062.4 Ų62.435%0.3534%0.344SS..Hα-helixtrans-64.8-41.1176.462.20000111.6C82 V83 L84 M89 A90C82-S86 PolarHBondContact O-N 3.33Å; C82-S86 PolarHBondContact O-OG 3.18Å; V83-S86 WeakPolarHBondContact CA-OG 3.22Å; V83-S86 PolarHBondContact O-OG 2.6Å; L84-S86 PolarHBondContact O-N 3.31Å; S86-M89 PolarHBondContact O-N 3.14Å; S86-A90 PolarHBondContact O-N 3.39Å
87A92.3Very high91.6Very high27 Ų2767.6 Ų67.622%0.22336%0.364CS..Hα-helixtrans-61.6-42.117300000112.3Y78 V83 L84 M89 A90 A91 I99Y78-A87 HydrophobicContact CD1-CB 4.4Å; Y78-A87 HydrophobicContact CE1-CB 3.49Å; Y78-A87 VanDerWaalsContact CE1-CB 3.49Å; V83-A87 WeakPolarHBondContact O-CB 2.97Å; V83-A87 PolarHBondContact O-N 2.8Å; L84-A87 PolarHBondContact O-N 3.5Å; A87-M89 PolarHBondContact O-N 2.93Å; A87-A90 PolarHBondContact O-N 3.03Å; A87-A91 WeakPolarHBondContact O-CB 3Å; A87-A91 PolarHBondContact O-N 3.46Å; A87-I99 HydrophobicContact CB-CD1 4.25Å
88S93.7Very high91.5Very high13 Ų1369 Ų699%0.09137%0.373CS..Hα-helixtrans-62.4-41.1175.4-1770000112.5L84 K85 A91 Q92 I99L84-S88 WeakPolarHBondContact O-CB 3.24Å; L84-S88 PolarHBondContact O-N 3.28Å; K85-S88 PolarHBondContact O-N 3.49Å; S88-A91 PolarHBondContact O-N 3.44Å; S88-Q92 WeakPolarHBondContact O-CG 3.33Å; S88-Q92 PolarHBondContact O-N 3.26Å; S88-I99 WeakPolarHBondContact CB-O 3.28Å; S88-I99 PolarHBondContact OG-N 2.96Å; S88-I99 PolarHBondContact OG-O 2.84Å
89M89.6Confident91.6Very high48 Ų4868.8 Ų68.824%0.23637%0.374CS..Hα-helixtrans-67.6-39.1177.1-74.3-174.3-70.600111.7P19 K85 S86 A87 Q92 R93P19-M89 WeakPolarHBondContact O-CE 3.36Å; K85-M89 WeakPolarHBondContact O-CG 3.21Å; K85-M89 PolarHBondContact O-N 3.37Å; S86-M89 PolarHBondContact O-N 3.14Å; A87-M89 PolarHBondContact O-N 2.93Å; M89-Q92 PolarHBondContact O-N 3.29Å; M89-R93 WeakPolarHBondContact O-CG 3.4Å; M89-R93 PolarHBondContact O-N 3.34Å
90A89.1Confident91.6Very high63 Ų6363.7 Ų63.752%0.52137%0.366SS..Hα-helixtrans-63.8-41.6174.500000111.5S86 A87 R93 G94S86-A90 PolarHBondContact O-N 3.39Å; A87-A90 PolarHBondContact O-N 3.03Å; A90-R93 PolarHBondContact O-N 3.3Å; A90-G94 PolarHBondContact O-N 3.39Å
91A91.4Very high91.8Very high14 Ų1467.1 Ų67.112%0.11639%0.386CS..Hα-helixtrans-58.5-48.7174.500000111.5A87 S88 R93 G94 G95 R96 I99A87-A91 WeakPolarHBondContact O-CB 3Å; A87-A91 PolarHBondContact O-N 3.46Å; S88-A91 PolarHBondContact O-N 3.44Å; A91-R93 PolarHBondContact O-N 3.18Å; A91-G94 CarbonylContact O-C 3.58Å; A91-G94 WeakPolarHBondContact O-CA 3.43Å; A91-G94 PolarHBondContact O-N 3.48Å; A91-G94 VanDerWaalsContact O-N 3.11Å; A91-G95 PolarHBondContact O-N 2.87Å; A91-R96 CarbonylContact C-O 3.58Å; A91-R96 HydrophobicContact CB-CB 4.08Å; A91-R96 WeakPolarHBondContact O-CB 3.46Å; A91-R96 PolarHBondContact O-N 3.42Å; A91-I99 HydrophobicContact CB-CD1 4.34Å; A91-I99 HydrophobicContact CB-CG1 4.46Å
92Q90.2Very high92.1Very high106 Ų10673.2 Ų73.250%0.49541%0.413SS..Hα-helixtrans-59.4-43.5177.2-74.3174.9400112.9S88 M89 G94 G95 P98S88-Q92 WeakPolarHBondContact O-CG 3.33Å; S88-Q92 PolarHBondContact O-N 3.26Å; M89-Q92 PolarHBondContact O-N 3.29Å; Q92-G94 PolarHBondContact O-N 2.03Å; Q92-G95 PolarHBondContact O-N 2.04Å; Q92-P98 HydrophobicContact CG-CB 4.27Å; Q92-P98 HydrophobicContact CG-CG 3.91Å
93R87.8Confident92.4Very high129 Ų12974.5 Ų74.549%0.48742%0.418SS..Hα-helixtrans-63.2-32.5176.4-73.2-179.8-171.51739.5112.8A16 C18 M89 A90 A91 G95A16-R93 PolarHBondContact O-NH1 3.22Å; C18-R93 VanDerWaalsContact C-NH2 3.32Å; C18-R93 VanDerWaalsContact N-NH2 3.19Å; C18-R93 PolarHBondContact O-NH2 3.36Å; M89-R93 WeakPolarHBondContact O-CG 3.4Å; M89-R93 PolarHBondContact O-N 3.34Å; A90-R93 PolarHBondContact O-N 3.3Å; A91-R93 PolarHBondContact O-N 3.18Å; R93-G95 VanDerWaalsContact C-N 3.26Å; R93-G95 PolarHBondContact O-N 2.72Å
94G89.1Confident92.5Very high59 Ų5980.4 Ų80.461%0.60844%0.44SS*.THydrogen-bonded Turntrans-83.68.4174.500000114.5A90 A91 Q92 R96A90-G94 PolarHBondContact O-N 3.39Å; A91-G94 CarbonylContact O-C 3.58Å; A91-G94 WeakPolarHBondContact O-CA 3.43Å; A91-G94 PolarHBondContact O-N 3.48Å; A91-G94 VanDerWaalsContact O-N 3.11Å; Q92-G94 PolarHBondContact O-N 2.03Å; G94-R96 VanDerWaalsContact C-N 3.3Å; G94-R96 PolarHBondContact O-N 3.41Å
95G91.7Very high92.6Very high75 Ų7581.4 Ų81.477%0.77345%0.453SS*.THydrogen-bonded Turntrans7218.3-179.700000114.9A91 Q92 R93A91-G95 PolarHBondContact O-N 2.87Å; Q92-G95 PolarHBondContact O-N 2.04Å; R93-G95 VanDerWaalsContact C-N 3.26Å; R93-G95 PolarHBondContact O-N 2.72Å
96R93.3Very high92.8Very high195 Ų19583.4 Ų83.474%0.73646%0.457SS*.PPolyproline II helixtrans-96.4161.6175.2-60.6179.8-178170.5-0.1110.9A91 G94A91-R96 CarbonylContact C-O 3.58Å; A91-R96 HydrophobicContact CB-CB 4.08Å; A91-R96 WeakPolarHBondContact O-CB 3.46Å; A91-R96 PolarHBondContact O-N 3.42Å; G94-R96 VanDerWaalsContact C-N 3.3Å; G94-R96 PolarHBondContact O-N 3.41Å
97E93.2Very high93.1Very high173 Ų17381.9 Ų81.981%0.80845%0.445SS*.PPolyproline II helixtrans-62.7145.4178.4-67.2-165.8155.400112.6
98P94.2Very high93.1Very high75 Ų7585.6 Ų85.649%0.48748%0.476SS..PPolyproline II helixtrans-61140.4174.7-20.932.3000112.7Q92Q92-P98 HydrophobicContact CG-CB 4.27Å; Q92-P98 HydrophobicContact CG-CG 3.91Å
99I96.6Very high92.9Very high23 Ų2390.1 Ų90.112%0.11851%0.508CS..PPolyproline II helixtrans-93.6122.1177-52.9169.8000107.8D74 Y78 L84 A87 S88 A91D74-I99 HydrophobicContact CB-CG1 4.47Å; D74-I99 HydrophobicContact CB-CG2 4.32Å; Y78-I99 HydrophobicContact CE2-CG2 4.11Å; Y78-I99 WeakPolarHBondContact OH-CD1 3.45Å; L84-I99 HydrophobicContact CD1-CG2 4.4Å; L84-I99 HydrophobicContact CD2-CG2 4.36Å; L84-I99 VanDerWaalsContact CD2-O 3.3Å; L84-I99 WeakPolarHBondContact CD2-O 3.5Å; L84-I99 HydrophobicContact CG-CG2 4.11Å; A87-I99 HydrophobicContact CB-CD1 4.25Å; S88-I99 WeakPolarHBondContact CB-O 3.28Å; S88-I99 PolarHBondContact OG-N 2.96Å; S88-I99 PolarHBondContact OG-O 2.84Å; A91-I99 HydrophobicContact CB-CD1 4.34Å; A91-I99 HydrophobicContact CB-CG1 4.46Å
100S95.6Very high92.9Very high70 Ų7091.8 Ų91.849%0.4953%0.529SS..  trans-111160.5179.165.70000110.9G72 S73 Q102G72-S100 CarbonylContact C-O 3.57Å; G72-S100 VanDerWaalsContact CA-O 3.29Å; G72-S100 WeakPolarHBondContact CA-O 3.49Å; S73-S100 PolarHBondContact N-O 3.47Å; S73-S100 PolarHBondContact OG-N 3.45Å; S73-S100 PolarHBondContact OG-OG 2.87Å; S100-Q102 PolarHBondContact O-N 3.23Å
101V96Very high92.6Very high76 Ų7695.3 Ų95.346%0.46155%0.547SS..EExtended strand (participates in β ladder)trans-74.1115.6174.1176.30000108.4V70 C71 L84V70-V101 HydrophobicContact CB-CG1 4.2Å; V70-V101 HydrophobicContact CB-CG2 4.36Å; V70-V101 HydrophobicContact CG1-CG1 4.37Å; V70-V101 HydrophobicContact CG2-CG2 4.36Å; C71-V101 CarbonylContact O-C 3.44Å; C71-V101 WeakPolarHBondContact O-CA 3.02Å; L84-V101 HydrophobicContact CD1-CG2 3.82Å; L84-V101 HydrophobicContact CD2-CG2 4.25Å
102Q96.4Very high92.4Very high133 Ų13399.3 Ų99.362%0.62157%0.574SS**EExtended strand (participates in β ladder)trans-80.1-46.7173.1-172.1174.928.400111.4C71 S100C71-Q102 PolarHBondContact O-N 3.34Å; S100-Q102 PolarHBondContact O-N 3.23Å
103N94.8Very high92.1Very high61 Ų61100.7 Ų100.733%0.32658%0.583SS.*EExtended strand (participates in β ladder)trans-149.8159.9174.564.2-91.1000112.3C71 R106C71-N103 WeakPolarHBondContact CB-OD1 3.35Å; C71-N103 PolarHBondContact N-O 3.19Å; N103-R106 PolarHBondContact ND2-O 3.31Å
104K94.8Very high92.2Very high159 Ų159100.7 Ų100.769%0.69160%0.597SS**EExtended strand (participates in β ladder)trans-71.4142.5167.4-60.6-173.5179.5177.40109.3Y68Y68-K104 HydrophobicContact CE2-CB 3.97Å; Y68-K104 HydrophobicContact CE2-CD 3.99Å; Y68-K104 HydrophobicContact CE2-CG 3.82Å; Y68-K104 WeakPolarHBondContact OH-CE 3.15Å
105G94.6Very high91.4Very high28 Ų28103.6 Ų103.629%0.28960%0.603SS.*SBendtrans90-163.3-177.700000113.2Q69 V70 C71Q69-G105 CarbonylContact C-O 3.44Å; Q69-G105 VanDerWaalsContact O-CA 3.23Å; Q69-G105 WeakPolarHBondContact O-CA 3.11Å; Q69-G105 PolarHBondContact O-N 2.92Å; V70-G105 CarbonylContact C-O 3.52Å; V70-G105 WeakPolarHBondContact CA-O 3.35Å; V70-G105 PolarHBondContact N-O 3.37Å; C71-G105 PolarHBondContact N-O 3.37Å
106R94.9Very high90.9Very high175 Ų175104.2 Ų104.266%0.6659%0.594SS**SBendtrans-73.5159.1179.1-50.7-174.772.3174.40.5110.5T77 N103T77-R106 HydrophobicContact CG2-CB 4Å; T77-R106 HydrophobicContact CG2-CG 3.98Å; N103-R106 PolarHBondContact ND2-O 3.31Å
107C95.7Very high89.9Confident17 Ų17101 Ų10112%0.11560%0.598CS.*PPolyproline II helixtrans-66.3155.2166.3-63.20000110.5C71 G75 T76 T77 S109C71-C107 WeakPolarHBondContact CA-SG 3.31Å; C71-C107 HydrophobicContact CB-CB 3.98Å; C71-C107 WeakPolarHBondContact CB-SG 3.23Å; C71-C107 WeakPolarHBondContact SG-CA 3.38Å; C71-C107 WeakPolarHBondContact SG-CB 3.02Å; C71-C107 CovalentContact SG-SG 2.04Å; C71-C107 PolarHBondContact SG-SG 3.36Å; G75-C107 PolarHBondContact O-SG 3.39Å; T76-C107 PolarHBondContact O-SG 3.02Å; T76-C107 VanDerWaalsContact O-SG 3.41Å; T77-C107 PolarHBondContact OG1-N 3.37Å; C107-S109 PolarHBondContact O-N 3.17Å
108A92.9Very high88.8Confident106 Ų10695.6 Ų95.688%0.87659%0.589SS**PPolyproline II helixtrans-58.7135.3173.600000110.3
109S89.1Confident87.5Confident107 Ų107100.6 Ų100.675%0.74861%0.606SS**  trans-138154.6177.164.40000110.1C107C107-S109 PolarHBondContact O-N 3.17Å
110A90Very high85.9Confident83 Ų83103.8 Ų103.869%0.68663%0.626SS**  trans-59.1150.7169.700000110.7S112A110-S112 PolarHBondContact O-N 2.89Å
111P81.7Confident84.8Confident137 Ų137108.6 Ų108.689%0.8964%0.639SS**  trans-62.5135.9174.726.4-33.4000110.1
112S88.4Confident83.9Confident98 Ų98108.6 Ų108.669%0.68564%0.636SS**  trans-114.2133170.860.30000109.8A110 V114A110-S112 PolarHBondContact O-N 2.89Å; S112-V114 PolarHBondContact O-N 3.16Å
113I84.3Confident83.4Confident136 Ų136104.6 Ų104.670%0.69762%0.62SS**  trans-76104.5171.7-62.2174.2000106.8T115 P116I113-T115 WeakPolarHBondContact CG2-O 3.39Å; I113-P116 VanDerWaalsContact CG2-CA 3.49Å; I113-P116 HydrophobicContact CG2-CB 4.06Å
114V88.6Confident83.2Confident128 Ų128107.8 Ų107.878%0.77663%0.632SS**SBendtrans-74.7-34.1177.2179.90000110.8S112S112-V114 PolarHBondContact O-N 3.16Å
115T73.4Confident83.2Confident120 Ų120101.4 Ų101.474%0.73661%0.605SS**SBendtrans-134.9108.5177-51.30000108.2I113I113-T115 WeakPolarHBondContact CG2-O 3.39Å
116P79.8Confident83.3Confident88 Ų88103.4 Ų103.457%0.57161%0.614SS**PPolyproline II helixtrans-69.1160.8176.430-34.2000110.7I113 G118I113-P116 VanDerWaalsContact CG2-CA 3.49Å; I113-P116 HydrophobicContact CG2-CB 4.06Å; P116-G118 PolarHBondContact O-N 3.38Å
117P73.5Confident83.3Confident127 Ų12796 Ų9683%0.82559%0.589SS**PPolyproline II helixtrans-52.7126.3169.1-23.633.5000110.5
118G69.9Low83.3Confident60 Ų60100.6 Ų100.662%0.61961%0.609SS**PPolyproline II helixtrans-78.1168.8174.100000112.1P116 V120P116-G118 PolarHBondContact O-N 3.38Å; G118-V120 PolarHBondContact O-N 2.93Å
119Q66.5Low83.5Confident181 Ų18196.3 Ų96.385%0.84657%0.573SS**PPolyproline II helixtrans-71.4123.6163.8-70.4-176.2-34.300108.6
120V63.9Low83.8Confident90 Ų9096.1 Ų96.155%0.54557%0.567SS.*  trans-117.1126.9179.6-1720000108.4G118 N122 S179G118-V120 PolarHBondContact O-N 2.93Å; V120-N122 HydrophobicContact CG1-CB 4.05Å; V120-S179 WeakPolarHBondContact CG1-OG 3.04Å
121F72.1Confident84Confident171 Ų17193 Ų9375%0.7554%0.544SS*.  trans-104.687.5169.8-57.9-84000107.3
122N76.7Confident84.6Confident76 Ų7691.1 Ų91.141%0.40653%0.529SS..  trans-102.2142.1-179.861.2-56.9000110.8V120 L177 I178V120-N122 HydrophobicContact CG1-CB 4.05Å; N122-L177 HydrophobicContact CB-CD1 3.79Å; N122-L177 VanDerWaalsContact ND2-CD1 3.31Å; N122-L177 WeakPolarHBondContact ND2-CD1 3.37Å; N122-I178 WeakPolarHBondContact CA-O 3.04Å
123V86.6Confident85Confident48 Ų4889.5 Ų89.529%0.29152%0.517SS..EExtended strand (participates in β ladder)trans-103.2141.1165.5175.80000107.8I178 L181 I206V123-I178 PolarHBondContact N-O 2.81Å; V123-I178 PolarHBondContact O-N 3.26Å; V123-L181 HydrophobicContact CB-CD1 4.49Å; V123-L181 HydrophobicContact CG2-CD1 4.37Å; V123-L181 HydrophobicContact CG2-CD2 3.78Å; V123-L181 HydrophobicContact CG2-CG 4.48Å; V123-I206 HydrophobicContact CG1-CD1 4.07Å; V123-I206 HydrophobicContact CG1-CG1 4.24Å; V123-I206 HydrophobicContact CG1-CG2 4.32Å
124F90.8Very high85.5Confident129 Ų12986.2 Ų86.257%0.56650%0.503SS*.EExtended strand (participates in β ladder)trans-129.6143172.569.4-87.5000111.6V176F124-V176 CarbonylContact C-O 3.6Å; F124-V176 WeakPolarHBondContact CA-O 3.23Å
125L94.7Very high85.9Confident25 Ų2580.6 Ų80.613%0.13147%0.469CS..EExtended strand (participates in β ladder)trans-105.4141.5164-62.2174.5000108.1W139 W175 V176 Y189 I206L125-W139 HydrophobicContact CB-CH2 3.9Å; L125-W139 HydrophobicContact CB-CZ3 4.1Å; L125-W139 HydrophobicContact CD1-CZ3 4.32Å; L125-W175 CarbonylContact O-C 3.54Å; L125-W175 WeakPolarHBondContact O-CA 3.47Å; L125-V176 HydrophobicContact CB-CB 4.32Å; L125-V176 PolarHBondContact N-O 3.42Å; L125-V176 PolarHBondContact O-N 2.79Å; L125-Y189 VanDerWaalsContact CD1-CB 3.43Å; L125-Y189 HydrophobicContact CD1-CD1 4.3Å; L125-Y189 HydrophobicContact CD1-CD2 3.77Å; L125-Y189 HydrophobicContact CD1-CG 3.57Å; L125-I206 HydrophobicContact CD1-CD1 3.98Å; L125-I206 HydrophobicContact CD1-CG1 4.07Å; L125-I206 HydrophobicContact CD2-CG1 4.09Å; L125-I206 HydrophobicContact CG-CD1 4.1Å; L125-I206 HydrophobicContact CG-CG1 4.16Å
126S95.4Very high87.1Confident69 Ų6979.6 Ų79.648%0.48346%0.463SS..EExtended strand (participates in β ladder)trans-125.2137.4176.9-1730000109.2G174 W175S126-G174 WeakPolarHBondContact CA-O 3.46Å; S126-W175 PolarHBondContact OG-NE1 3.11Å
127C95.6Very high87.9Confident19 Ų1976.1 Ų76.113%0.12844%0.439CS..EExtended strand (participates in β ladder)trans-135.6134.5175177.50000109W139 T173 G174 C191C127-W139 HydrophobicContact CB-CH2 3.52Å; C127-W139 HydrophobicContact CB-CZ2 3.28Å; C127-T173 CarbonylContact O-C 3.55Å; C127-T173 WeakPolarHBondContact O-CA 3.04Å; C127-G174 PolarHBondContact N-O 3.33Å; C127-G174 PolarHBondContact O-N 3.49Å; C127-C191 HydrophobicContact CB-CB 3.46Å; C127-C191 VanDerWaalsContact CB-CB 3.46Å; C127-C191 WeakPolarHBondContact CB-SG 3.39Å; C127-C191 WeakPolarHBondContact SG-CB 3.47Å; C127-C191 CovalentContact SG-SG 2.03Å; C127-C191 PolarHBondContact SG-SG 3.29Å
128E95.7Very high89Confident115 Ų11572.5 Ų72.554%0.53742%0.415SS..EExtended strand (participates in β ladder)trans-123.7135.7178.9-169.1-175.9135.100109.2Q171 V172 T173E128-Q171 HydrophobicContact CG-CG 4.06Å; E128-Q171 VanDerWaalsContact OE1-CD 3.27Å; E128-Q171 PolarHBondContact OE1-NE2 3.47Å; E128-V172 WeakPolarHBondContact CA-O 3.32Å; E128-T173 HydrophobicContact CB-CG2 4.47Å
129A95.9Very high90.3Very high15 Ų1570.1 Ų70.112%0.12439%0.387CS..EExtended strand (participates in β ladder)trans-135.2145.3176.700000111P135 L137 Q171 V172 A193A129-P135 HydrophobicContact CB-CG 3.86Å; A129-L137 HydrophobicContact CB-CD2 3.77Å; A129-Q171 WeakPolarHBondContact O-CA 3.35Å; A129-V172 HydrophobicContact CB-CG1 4.03Å; A129-V172 PolarHBondContact N-O 3.08Å; A129-V172 WeakPolarHBondContact O-CG1 3.35Å; A129-V172 PolarHBondContact O-N 3.35Å; A129-A193 HydrophobicContact CB-CB 3.6Å
130V96Very high91.7Very high103 Ų10363.8 Ų63.862%0.62436%0.357SS*.EExtended strand (participates in β ladder)trans-120.6144.7173.4-67.80000109.1H170 Q171V130-H170 WeakPolarHBondContact CA-O 3.3Å; V130-Q171 HydrophobicContact CG1-CB 4Å; V130-Q171 HydrophobicContact CG1-CG 3.76Å
131G94.5Very high93.1Very high19 Ų1960.5 Ų60.520%0.19634%0.335CS..  trans176.7150.5176.500000112.3P133 T134 H170G131-P133 CarbonylContact C-O 3.18Å; G131-P133 CarbonylContact O-C 3.57Å; G131-T134 WeakPolarHBondContact O-CA 3.36Å; G131-T134 PolarHBondContact O-N 3.3Å; G131-H170 PolarHBondContact N-O 3.26Å; G131-H170 WeakPolarHBondContact O-CB 3.29Å
132V95.3Very high94Very high96 Ų9654.6 Ų54.658%0.58231%0.313SS*.SBendtrans-115.7114.7179.1-171.80000109.3H170 R197V132-H170 HydrophobicContact CG2-CB 3.98Å; V132-R197 WeakPolarHBondContact O-CG 3.15Å
133P95.8Very high94.4Very high65 Ų6554.1 Ų54.142%0.42231%0.31SS..SBendcis-65.7159.9-3.5-18.933.2000113.6G131 N195 S196G131-P133 CarbonylContact C-O 3.18Å; G131-P133 CarbonylContact O-C 3.57Å; P133-N195 WeakPolarHBondContact O-CB 3.09Å; P133-N195 PolarHBondContact O-ND2 2.78Å; P133-S196 WeakPolarHBondContact CD-OG 3.3Å
134T95.6Very high93.6Very high66 Ų6655.8 Ų55.841%0.40534%0.338SS..PPolyproline II helixtrans-49.4124.8-179.1-47.50000110.2G131 H170 V172G131-T134 WeakPolarHBondContact O-CA 3.36Å; G131-T134 PolarHBondContact O-N 3.3Å; T134-H170 WeakPolarHBondContact OG1-CA 3.25Å; T134-H170 PolarHBondContact OG1-ND1 3.34Å; T134-V172 HydrophobicContact CG2-CB 4.25Å
135P97.2Very high92.2Very high10 Ų1052.2 Ų52.27%0.06534%0.337CS..PPolyproline II helixtrans-72.7157.2-175.728.8-31.9000111.8A129 V172 A193 A194 N195A129-P135 HydrophobicContact CB-CG 3.86Å; P135-V172 HydrophobicContact CG-CG1 3.81Å; P135-V172 WeakPolarHBondContact O-CG1 3.29Å; P135-A193 HydrophobicContact CB-CB 4.31Å; P135-A194 CarbonylContact C-O 2.94Å; P135-A194 VanDerWaalsContact CA-O 3.31Å; P135-A194 WeakPolarHBondContact CA-O 3.29Å; P135-N195 HydrophobicContact CB-CB 4.27Å
136V96.6Very high90.4Very high100 Ų10063.4 Ų63.461%0.60638%0.377SS*.EExtended strand (participates in β ladder)trans-92.1132.1168.7178.90000108A193 A194V136-A193 WeakPolarHBondContact O-CA 3.39Å; V136-A194 PolarHBondContact N-O 2.93Å; V136-A194 PolarHBondContact O-N 3.47Å
137L97.1Very high88.7Confident15 Ų1570 Ų708%0.07940%0.397CS..EExtended strand (participates in β ladder)trans-92.5134.9173.5-65.5-175.9000110.9A129 T163 V172 G174 H192 A193A129-L137 HydrophobicContact CB-CD2 3.77Å; L137-T163 HydrophobicContact CB-CG2 4.46Å; L137-T163 HydrophobicContact CD1-CG2 4.46Å; L137-V172 HydrophobicContact CD1-CB 4.44Å; L137-V172 HydrophobicContact CD1-CG1 3.95Å; L137-V172 HydrophobicContact CD1-CG2 3.91Å; L137-V172 HydrophobicContact CD2-CG1 4.01Å; L137-V172 HydrophobicContact CG-CB 4.43Å; L137-V172 HydrophobicContact CG-CG1 3.64Å; L137-V172 HydrophobicContact CG-CG2 3.96Å; L137-G174 VanDerWaalsContact CD1-N 3.28Å; L137-H192 CarbonylContact C-O 3.59Å; L137-H192 WeakPolarHBondContact CA-O 3.42Å; L137-A193 HydrophobicContact CD2-CB 3.58Å
138T97Very high87.9Confident50 Ų5078.2 Ų78.231%0.30743%0.425SS..EExtended strand (participates in β ladder)trans-127.6133.7172.6-55.90000108.8L151 H192T138-L151 HydrophobicContact CG2-CD2 3.93Å; T138-H192 PolarHBondContact N-O 2.96Å; T138-H192 PolarHBondContact O-N 3.49Å
139W97.4Very high87.4Confident10 Ų1075.5 Ų75.54%0.03842%0.423CS..EExtended strand (participates in β ladder)trans-107.1141178.2-75.594.5000111.2L125 C127 L152 V161 V176 E190 C191L125-W139 HydrophobicContact CB-CH2 3.9Å; L125-W139 HydrophobicContact CB-CZ3 4.1Å; L125-W139 HydrophobicContact CD1-CZ3 4.32Å; C127-W139 HydrophobicContact CB-CH2 3.52Å; C127-W139 HydrophobicContact CB-CZ2 3.28Å; W139-L152 HydrophobicContact CB-CB 3.92Å; W139-L152 HydrophobicContact CB-CD1 4Å; W139-L152 HydrophobicContact CB-CG 4.41Å; W139-L152 PolarHBondContact O-N 2.91Å; W139-V161 HydrophobicContact CB-CG2 4.47Å; W139-V161 HydrophobicContact CG-CG1 4.29Å; W139-V176 HydrophobicContact CB-CG2 4.07Å; W139-V176 HydrophobicContact CD2-CG2 3.34Å; W139-V176 HydrophobicContact CE3-CG2 3.54Å; W139-V176 HydrophobicContact CG-CG2 3.61Å; W139-V176 HydrophobicContact CH2-CG2 4.35Å; W139-V176 HydrophobicContact CZ2-CG2 4.21Å; W139-V176 HydrophobicContact CZ3-CG2 4.05Å; W139-E190 WeakPolarHBondContact CA-O 3.3Å; W139-C191 HydrophobicContact CD2-CB 4.23Å; W139-C191 HydrophobicContact CE3-CB 3.97Å; W139-C191 HydrophobicContact CH2-CB 3.88Å; W139-C191 HydrophobicContact CZ2-CB 4.12Å; W139-C191 HydrophobicContact CZ3-CB 3.78Å
140K95.3Very high87.2Confident48 Ų4877.6 Ų77.621%0.20943%0.43CS..EExtended strand (participates in β ladder)trans-137.8143.4177.8-48.6-175.9-173.2149.10110.8A149 E150 L151 Y189 E190K140-A149 HydrophobicContact CB-CB 4.14Å; K140-A149 HydrophobicContact CD-CB 4.17Å; K140-E150 CarbonylContact C-O 3.56Å; K140-E150 WeakPolarHBondContact CA-O 3.3Å; K140-L151 HydrophobicContact CD-CD2 3.97Å; K140-L151 HydrophobicContact CG-CD2 3.79Å; K140-Y189 CarbonylContact O-C 3.58Å; K140-Y189 WeakPolarHBondContact O-CA 3.03Å; K140-E190 PolarHBondContact N-O 3.06Å; K140-E190 IonicContact NZ-OE1 2.8Å; K140-E190 PolarHBondContact O-N 3.21Å
141K93.9Very high87.2Confident21 Ų2177.9 Ų77.99%0.09143%0.428CS..EExtended strand (participates in β ladder)trans-90.1126.4165-170177.5-178.2-1720109.2L143 A149 E150 L152 E184 Y189K141-L143 HydrophobicContact CD-CD2 4.49Å; K141-L143 PolarHBondContact O-N 3.45Å; K141-A149 CarbonylContact O-C 3.59Å; K141-A149 VanDerWaalsContact O-CA 3.27Å; K141-A149 WeakPolarHBondContact O-CA 3.45Å; K141-E150 PolarHBondContact N-O 3.31Å; K141-E150 PolarHBondContact O-N 3.17Å; K141-L152 HydrophobicContact CB-CD2 4.31Å; K141-E184 PolarHBondContact NZ-O 2.04Å; K141-Y189 HydrophobicContact CB-CD1 4.1Å; K141-Y189 HydrophobicContact CB-CE1 3.96Å; K141-Y189 HydrophobicContact CD-CE1 3.94Å; K141-Y189 HydrophobicContact CG-CD1 4.14Å; K141-Y189 HydrophobicContact CG-CE1 3.75Å
142V91.6Very high87.2Confident48 Ų4878 Ų7829%0.29142%0.423SS..EExtended strand (participates in β ladder)trans-80.5118.6178.7-174.90000108.2S188 E190V142-S188 WeakPolarHBondContact CB-O 3.31Å; V142-S188 PolarHBondContact N-O 3.27Å; V142-E190 HydrophobicContact CG2-CB 4.15Å
143L85.4Confident87.2Confident65 Ų6576.1 Ų76.134%0.3441%0.413SS..PPolyproline II helixtrans-96.8154.2175.9-56.2177000109K141 G145 R148 E150K141-L143 HydrophobicContact CD-CD2 4.49Å; K141-L143 PolarHBondContact O-N 3.45Å; L143-G145 PolarHBondContact O-N 3.08Å; L143-G145 VanDerWaalsContact O-N 3.12Å; L143-R148 HydrophobicContact CB-CB 4.03Å; L143-R148 WeakPolarHBondContact CB-O 3.2Å; L143-R148 PolarHBondContact N-O 3.41Å; L143-E150 HydrophobicContact CD1-CB 4.22Å
144G69.4Low87Confident84 Ų8475.3 Ų75.387%0.86642%0.417SS*.SBendtrans-47.6118.3-175.200000113.8
145G61Low86.7Confident53 Ų5379.5 Ų79.555%0.54644%0.437SS..SBendtrans100.2128.2-176.600000113.3L143 K147 R148L143-G145 PolarHBondContact O-N 3.08Å; L143-G145 VanDerWaalsContact O-N 3.12Å; G145-K147 PolarHBondContact O-N 2.81Å; G145-R148 PolarHBondContact O-N 2.92Å; G145-R148 VanDerWaalsContact O-N 3.1Å
146R56.9Low86.4Confident261 Ų26181.3 Ų81.399%0.98544%0.443SS*.THydrogen-bonded Turntrans-53.53-170.5-74.2-179.9176.5157.9-1.2117.9
147K59.8Low86.2Confident208 Ų20884.3 Ų84.390%0.90446%0.455SS*.THydrogen-bonded Turntrans-126.31.1-178.9-66.2-169.9178.5-176.10114.8G145G145-K147 PolarHBondContact O-N 2.81Å
148R78Confident85.9Confident190 Ų19084.7 Ų84.772%0.71746%0.457SS*.  trans-110.6113.6174.1-80.6-175.3151.5-179.1-7.3109.6L143 G145L143-R148 HydrophobicContact CB-CB 4.03Å; L143-R148 WeakPolarHBondContact CB-O 3.2Å; L143-R148 PolarHBondContact N-O 3.41Å; G145-R148 PolarHBondContact O-N 2.92Å; G145-R148 VanDerWaalsContact O-N 3.1Å
149A86.3Confident85.8Confident58 Ų5882.9 Ų82.948%0.47945%0.445SS..EExtended strand (participates in β ladder)trans-135.4142.1173.100000108.5K140 K141K140-A149 HydrophobicContact CB-CB 4.14Å; K140-A149 HydrophobicContact CD-CB 4.17Å; K141-A149 CarbonylContact O-C 3.59Å; K141-A149 VanDerWaalsContact O-CA 3.27Å; K141-A149 WeakPolarHBondContact O-CA 3.45Å
150E92.2Very high85.7Confident60 Ų6084.3 Ų84.328%0.2846%0.46SS..EExtended strand (participates in β ladder)trans-107.3129.4178.8-162.3-168.9135.800109.5K140 K141 L143 R156K140-E150 CarbonylContact C-O 3.56Å; K140-E150 WeakPolarHBondContact CA-O 3.3Å; K141-E150 PolarHBondContact N-O 3.31Å; K141-E150 PolarHBondContact O-N 3.17Å; L143-E150 HydrophobicContact CD1-CB 4.22Å; E150-R156 IonicContact OE1-CZ 2.7Å; E150-R156 IonicContact OE1-NH1 2.75Å; E150-R156 PolarHBondContact OE1-NH1 2.87Å; E150-R156 IonicContact OE1-NH2 3.74Å; E150-R156 PolarHBondContact OE1-NH2 2.83Å; E150-R156 IonicContact OE2-CZ 3.88Å; E150-R156 IonicContact OE2-NH1 3.7Å; E150-R156 IonicContact OE2-NH2 3.82Å; E150-R156 PolarHBondContact OE2-NH2 2.83Å
151L94.3Very high85.8Confident109 Ų10984.1 Ų84.157%0.57146%0.462SS*.EExtended strand (participates in β ladder)trans-68.9134.6177.8-65.6178.9000110.1T138 K140 G154T138-L151 HydrophobicContact CG2-CD2 3.93Å; K140-L151 HydrophobicContact CD-CD2 3.97Å; K140-L151 HydrophobicContact CG-CD2 3.79Å; L151-G154 PolarHBondContact O-N 2.82Å
152L95.5Very high85.8Confident21 Ų2188.5 Ų88.511%0.1148%0.483CS..SBendtrans-92.9149.6175.4-66-179.1000111.5W139 K141 L159 V161 V176 Y189W139-L152 HydrophobicContact CB-CB 3.92Å; W139-L152 HydrophobicContact CB-CD1 4Å; W139-L152 HydrophobicContact CB-CG 4.41Å; W139-L152 PolarHBondContact O-N 2.91Å; K141-L152 HydrophobicContact CB-CD2 4.31Å; L152-L159 HydrophobicContact CB-CD2 4.45Å; L152-L159 HydrophobicContact CD1-CD1 4.39Å; L152-L159 HydrophobicContact CD2-CD1 3.98Å; L152-L159 HydrophobicContact CD2-CD2 4.26Å; L152-V161 HydrophobicContact CB-CG2 3.76Å; L152-V176 HydrophobicContact CD1-CG1 4.16Å; L152-V176 HydrophobicContact CD1-CG2 4.06Å; L152-Y189 HydrophobicContact CD1-CD1 3.68Å; L152-Y189 HydrophobicContact CD1-CE1 3.99Å
153P95.3Very high86Confident56 Ų5689.5 Ų89.536%0.36449%0.489SS..SBendcis-79.1-21.24.330.8-34.6000115.1R156 L159 V161P153-R156 PolarHBondContact O-NH1 2.82Å; P153-L159 HydrophobicContact CB-CD2 3.58Å; P153-V161 HydrophobicContact CB-CG2 4.22Å
154G90.7Very high86.5Confident49 Ų4994.8 Ų94.851%0.50551%0.505SS..THydrogen-bonded Turntrans75.2-143.3-17300000111.9L151L151-G154 PolarHBondContact O-N 2.82Å
155D89.9Confident87.5Confident154 Ų15493.9 Ų93.982%0.82450%0.495SS*.THydrogen-bonded Turntrans-99.711.9176.861.5-20.5000113.6
156R90.9Very high88.4Confident48 Ų4892.2 Ų92.218%0.18148%0.478CS..  trans-68.5133.5179.3-63.8178178.176.811111.6E150 P153 L159E150-R156 IonicContact OE1-CZ 2.7Å; E150-R156 IonicContact OE1-NH1 2.75Å; E150-R156 PolarHBondContact OE1-NH1 2.87Å; E150-R156 IonicContact OE1-NH2 3.74Å; E150-R156 PolarHBondContact OE1-NH2 2.83Å; E150-R156 IonicContact OE2-CZ 3.88Å; E150-R156 IonicContact OE2-NH1 3.7Å; E150-R156 IonicContact OE2-NH2 3.82Å; E150-R156 PolarHBondContact OE2-NH2 2.83Å; P153-R156 PolarHBondContact O-NH1 2.82Å; R156-L159 HydrophobicContact CB-CB 3.99Å
157D91.6Very high89.3Confident163 Ų16385.9 Ų85.987%0.87247%0.471SS*.SBendtrans-87.5-25.1178.963.6-9000113.3
158N91.9Very high90.5Very high22 Ų2282.7 Ų82.712%0.11846%0.459CS..SBendtrans-96.13.9-177.270.9-26.9000114.1I178 S179 P180 E185N158-I178 CarbonylContact O-C 3.57Å; N158-I178 WeakPolarHBondContact O-CA 3.38Å; N158-S179 WeakPolarHBondContact CA-O 3.04Å; N158-S179 WeakPolarHBondContact CB-O 3.43Å; N158-S179 PolarHBondContact O-N 3.3Å; N158-P180 PolarHBondContact ND2-O 3.27Å; N158-P180 VanDerWaalsContact ND2-O 3.08Å; N158-E185 PolarHBondContact ND2-OE1 3.47Å; N158-E185 PolarHBondContact ND2-OE2 3.45Å
159L94.2Very high91Very high12 Ų1282.7 Ų82.76%0.06347%0.465CS..EExtended strand (participates in β ladder)trans-127.7135.1-175.4-173.8155.6000111.8L152 P153 R156 V161 V176 L177 I178L152-L159 HydrophobicContact CB-CD2 4.45Å; L152-L159 HydrophobicContact CD1-CD1 4.39Å; L152-L159 HydrophobicContact CD2-CD1 3.98Å; L152-L159 HydrophobicContact CD2-CD2 4.26Å; P153-L159 HydrophobicContact CB-CD2 3.58Å; R156-L159 HydrophobicContact CB-CB 3.99Å; L159-V161 HydrophobicContact CD2-CG2 3.95Å; L159-V176 HydrophobicContact CD1-CG1 3.76Å; L159-V176 HydrophobicContact CD2-CG1 4.04Å; L159-V176 HydrophobicContact CG-CG1 3.86Å; L159-L177 CarbonylContact C-O 3.57Å; L159-L177 VanDerWaalsContact CA-O 3.32Å; L159-L177 WeakPolarHBondContact CA-O 3.39Å; L159-I178 HydrophobicContact CD1-CD1 4.03Å; L159-I178 HydrophobicContact CD1-CG1 3.91Å; L159-I178 HydrophobicContact CG-CG1 4.09Å
160A95.4Very high91.3Very high41 Ų4183.8 Ų83.834%0.33946%0.459SS..EExtended strand (participates in β ladder)trans-129.7135.7173.400000111.5L177A160-L177 PolarHBondContact N-O 3Å; A160-L177 PolarHBondContact O-N 2.99Å
161V96.8Very high91.4Very high43 Ų4381.7 Ų81.726%0.26145%0.45SS..EExtended strand (participates in β ladder)trans-103.3128.3169.6-178.80000109.3W139 L152 P153 L159 W175 V176W139-V161 HydrophobicContact CB-CG2 4.47Å; W139-V161 HydrophobicContact CG-CG1 4.29Å; L152-V161 HydrophobicContact CB-CG2 3.76Å; P153-V161 HydrophobicContact CB-CG2 4.22Å; L159-V161 HydrophobicContact CD2-CG2 3.95Å; V161-W175 WeakPolarHBondContact CA-O 3.39Å; V161-V176 HydrophobicContact CG2-CG2 4.15Å
162Q95.9Very high91.5Very high113 Ų11377 Ų7753%0.52843%0.425SS..EExtended strand (participates in β ladder)trans-122.6145.7174-67.4-17257.200109.9G174 W175Q162-G174 CarbonylContact O-C 3.55Å; Q162-G174 VanDerWaalsContact O-CA 3.28Å; Q162-G174 WeakPolarHBondContact O-CA 3.31Å; Q162-W175 HydrophobicContact CB-CE3 4.47Å; Q162-W175 PolarHBondContact N-O 3.34Å; Q162-W175 PolarHBondContact O-N 3.28Å
163T95.5Very high91.5Very high69 Ų6976.6 Ų76.642%0.42342%0.424SS..EExtended strand (participates in β ladder)trans-137.5135.9176.9-540000108.8L137 V172 T173L137-T163 HydrophobicContact CB-CG2 4.46Å; L137-T163 HydrophobicContact CD1-CG2 4.46Å; T163-V172 HydrophobicContact CG2-CG2 3.39Å; T163-T173 CarbonylContact C-O 3.48Å; T163-T173 WeakPolarHBondContact CA-O 3Å
164R94.6Very high91.5Very high177 Ų17773.9 Ų73.967%0.66841%0.407SS*.EExtended strand (participates in β ladder)trans-136.2156.2175.8-58.4-170.595.6170.35.7109.5V172 T173 W175R164-V172 WeakPolarHBondContact O-CG2 3.44Å; R164-T173 PolarHBondContact N-O 3.24Å; R164-T173 PolarHBondContact O-N 3.23Å; R164-T173 VanDerWaalsContact O-O 3.13Å; R164-W175 HydrophobicContact CB-CH2 4.23Å; R164-W175 HydrophobicContact CB-CZ3 3.9Å; R164-W175 HydrophobicContact CG-CH2 4.49Å; R164-W175 HydrophobicContact CG-CZ3 3.88Å
165G91.6Very high91.8Very high64 Ų6475.6 Ų75.666%0.6640%0.398SS*.EExtended strand (participates in β ladder)trans-61145.6165.100000110
166G78.6Confident92.1Very high19 Ų1968.3 Ų68.320%0.19636%0.359CS..  trans-74.8170.1174.200000112.5E168 Q171G166-E168 PolarHBondContact O-N 3.44Å; G166-Q171 PolarHBondContact N-O 3.18Å
167P75.6Confident92.3Very high128 Ų12868.9 Ų68.983%0.83137%0.365SS*.SBendtrans-59.9-28.617423.8-35000113.6
168E85.1Confident92.3Very high141 Ų14161.2 Ų61.266%0.65932%0.324SS*.SBendtrans-98.2159.2179.3-61.2-167.8176.400113.3G166 Q171G166-E168 PolarHBondContact O-N 3.44Å; E168-Q171 HydrophobicContact CB-CB 4.47Å; E168-Q171 WeakPolarHBondContact O-CB 3.42Å; E168-Q171 PolarHBondContact O-N 3.04Å
169K89.2Confident92.3Very high190 Ų19062.4 Ų62.483%0.82633%0.334SS*.THydrogen-bonded Turntrans-62.2142.1174.3-71-172.1-178179.40109.5Q171K169-Q171 PolarHBondContact O-N 3.29Å
170H92.4Very high92.1Very high80 Ų8065.8 Ų65.837%0.3736%0.357SS..THydrogen-bonded Turntrans66.922.2176.9-60.9-55.3000115.5V130 G131 V132 T134V130-H170 WeakPolarHBondContact CA-O 3.3Å; G131-H170 PolarHBondContact N-O 3.26Å; G131-H170 WeakPolarHBondContact O-CB 3.29Å; V132-H170 HydrophobicContact CG2-CB 3.98Å; T134-H170 WeakPolarHBondContact OG1-CA 3.25Å; T134-H170 PolarHBondContact OG1-ND1 3.34Å
171Q95.3Very high91.7Very high16 Ų1666 Ų668%0.07535%0.352CS..EExtended strand (participates in β ladder)trans-112147.8177.8-167.7174.555.400111.1E128 A129 V130 G166 E168 K169E128-Q171 HydrophobicContact CG-CG 4.06Å; E128-Q171 VanDerWaalsContact OE1-CD 3.27Å; E128-Q171 PolarHBondContact OE1-NE2 3.47Å; A129-Q171 WeakPolarHBondContact O-CA 3.35Å; V130-Q171 HydrophobicContact CG1-CB 4Å; V130-Q171 HydrophobicContact CG1-CG 3.76Å; G166-Q171 PolarHBondContact N-O 3.18Å; E168-Q171 HydrophobicContact CB-CB 4.47Å; E168-Q171 WeakPolarHBondContact O-CB 3.42Å; E168-Q171 PolarHBondContact O-N 3.04Å; K169-Q171 PolarHBondContact O-N 3.29Å
172V95.5Very high91.4Very high10 Ų1066.4 Ų66.46%0.06136%0.355CS..EExtended strand (participates in β ladder)trans-140.2139.8175.461.70000109.1E128 A129 T134 P135 L137 T163 R164E128-V172 WeakPolarHBondContact CA-O 3.32Å; A129-V172 HydrophobicContact CB-CG1 4.03Å; A129-V172 PolarHBondContact N-O 3.08Å; A129-V172 WeakPolarHBondContact O-CG1 3.35Å; A129-V172 PolarHBondContact O-N 3.35Å; T134-V172 HydrophobicContact CG2-CB 4.25Å; P135-V172 HydrophobicContact CG-CG1 3.81Å; P135-V172 WeakPolarHBondContact O-CG1 3.29Å; L137-V172 HydrophobicContact CD1-CB 4.44Å; L137-V172 HydrophobicContact CD1-CG1 3.95Å; L137-V172 HydrophobicContact CD1-CG2 3.91Å; L137-V172 HydrophobicContact CD2-CG1 4.01Å; L137-V172 HydrophobicContact CG-CB 4.43Å; L137-V172 HydrophobicContact CG-CG1 3.64Å; L137-V172 HydrophobicContact CG-CG2 3.96Å; T163-V172 HydrophobicContact CG2-CG2 3.39Å; R164-V172 WeakPolarHBondContact O-CG2 3.44Å
173T95.8Very high91.1Very high13 Ų1366.9 Ų66.98%0.0836%0.357CS..EExtended strand (participates in β ladder)trans-125134.3175.3-45.50000109C127 E128 T163 R164 W175C127-T173 CarbonylContact O-C 3.55Å; C127-T173 WeakPolarHBondContact O-CA 3.04Å; E128-T173 HydrophobicContact CB-CG2 4.47Å; T163-T173 CarbonylContact C-O 3.48Å; T163-T173 WeakPolarHBondContact CA-O 3Å; R164-T173 PolarHBondContact N-O 3.24Å; R164-T173 PolarHBondContact O-N 3.23Å; R164-T173 VanDerWaalsContact O-O 3.13Å; T173-W175 HydrophobicContact CG2-CD2 4.34Å; T173-W175 HydrophobicContact CG2-CH2 3.56Å; T173-W175 HydrophobicContact CG2-CZ2 3.26Å; T173-W175 HydrophobicContact CG2-CZ3 4.19Å; T173-W175 VanDerWaalsContact O-CZ3 3.27Å; T173-W175 WeakPolarHBondContact O-CZ3 3.33Å
174G95.6Very high90.8Very high0 Ų070.7 Ų70.70%037%0.37CS..EExtended strand (participates in β ladder)trans-123.7145178.700000110.9S126 C127 L137 Q162S126-G174 WeakPolarHBondContact CA-O 3.46Å; C127-G174 PolarHBondContact N-O 3.33Å; C127-G174 PolarHBondContact O-N 3.49Å; L137-G174 VanDerWaalsContact CD1-N 3.28Å; Q162-G174 CarbonylContact O-C 3.55Å; Q162-G174 VanDerWaalsContact O-CA 3.28Å; Q162-G174 WeakPolarHBondContact O-CA 3.31Å
175W96.3Very high90.6Very high85 Ų8562.5 Ų62.532%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-128.4140177.3-58.6-91000110.8L125 S126 V161 Q162 R164 T173L125-W175 CarbonylContact O-C 3.54Å; L125-W175 WeakPolarHBondContact O-CA 3.47Å; S126-W175 PolarHBondContact OG-NE1 3.11Å; V161-W175 WeakPolarHBondContact CA-O 3.39Å; Q162-W175 HydrophobicContact CB-CE3 4.47Å; Q162-W175 PolarHBondContact N-O 3.34Å; Q162-W175 PolarHBondContact O-N 3.28Å; R164-W175 HydrophobicContact CB-CH2 4.23Å; R164-W175 HydrophobicContact CB-CZ3 3.9Å; R164-W175 HydrophobicContact CG-CH2 4.49Å; R164-W175 HydrophobicContact CG-CZ3 3.88Å; T173-W175 HydrophobicContact CG2-CD2 4.34Å; T173-W175 HydrophobicContact CG2-CH2 3.56Å; T173-W175 HydrophobicContact CG2-CZ2 3.26Å; T173-W175 HydrophobicContact CG2-CZ3 4.19Å; T173-W175 VanDerWaalsContact O-CZ3 3.27Å; T173-W175 WeakPolarHBondContact O-CZ3 3.33Å
176V96.4Very high90.6Very high1 Ų163.1 Ų63.11%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-107116.5163.5-179.40000106.8F124 L125 W139 L152 L159 V161 I178F124-V176 CarbonylContact C-O 3.6Å; F124-V176 WeakPolarHBondContact CA-O 3.23Å; L125-V176 HydrophobicContact CB-CB 4.32Å; L125-V176 PolarHBondContact N-O 3.42Å; L125-V176 PolarHBondContact O-N 2.79Å; W139-V176 HydrophobicContact CB-CG2 4.07Å; W139-V176 HydrophobicContact CD2-CG2 3.34Å; W139-V176 HydrophobicContact CE3-CG2 3.54Å; W139-V176 HydrophobicContact CG-CG2 3.61Å; W139-V176 HydrophobicContact CH2-CG2 4.35Å; W139-V176 HydrophobicContact CZ2-CG2 4.21Å; W139-V176 HydrophobicContact CZ3-CG2 4.05Å; L152-V176 HydrophobicContact CD1-CG1 4.16Å; L152-V176 HydrophobicContact CD1-CG2 4.06Å; L159-V176 HydrophobicContact CD1-CG1 3.76Å; L159-V176 HydrophobicContact CD2-CG1 4.04Å; L159-V176 HydrophobicContact CG-CG1 3.86Å; V161-V176 HydrophobicContact CG2-CG2 4.15Å; V176-I178 HydrophobicContact CG1-CD1 4.35Å; V176-I178 HydrophobicContact CG1-CG1 4.1Å
177L94.8Very high91.2Very high60 Ų6063.3 Ų63.331%0.31433%0.327SS..EExtended strand (participates in β ladder)trans-104131176.6177.768.7000109.1N122 L159 A160N122-L177 HydrophobicContact CB-CD1 3.79Å; N122-L177 VanDerWaalsContact ND2-CD1 3.31Å; N122-L177 WeakPolarHBondContact ND2-CD1 3.37Å; L159-L177 CarbonylContact C-O 3.57Å; L159-L177 VanDerWaalsContact CA-O 3.32Å; L159-L177 WeakPolarHBondContact CA-O 3.39Å; A160-L177 PolarHBondContact N-O 3Å; A160-L177 PolarHBondContact O-N 2.99Å
178I93.1Very high92Very high1 Ų159.7 Ų59.71%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-126.1125.5-179.8-55.9-177.9000109.5N122 V123 N158 L159 V176 L181 E185 I206N122-I178 WeakPolarHBondContact CA-O 3.04Å; V123-I178 PolarHBondContact N-O 2.81Å; V123-I178 PolarHBondContact O-N 3.26Å; N158-I178 CarbonylContact O-C 3.57Å; N158-I178 WeakPolarHBondContact O-CA 3.38Å; L159-I178 HydrophobicContact CD1-CD1 4.03Å; L159-I178 HydrophobicContact CD1-CG1 3.91Å; L159-I178 HydrophobicContact CG-CG1 4.09Å; V176-I178 HydrophobicContact CG1-CD1 4.35Å; V176-I178 HydrophobicContact CG1-CG1 4.1Å; I178-L181 HydrophobicContact CG2-CD1 4.1Å; I178-E185 HydrophobicContact CD1-CB 4.03Å; I178-E185 HydrophobicContact CD1-CG 4Å; I178-E185 HydrophobicContact CG2-CB 4.16Å; I178-E185 HydrophobicContact CG2-CG 3.66Å; I178-I206 HydrophobicContact CD1-CD1 3.37Å
179S90.8Very high92.5Very high47 Ų4753 Ų5333%0.32927%0.274SS..SBendtrans-161.7125.3173.3-163.90000112.3V120 N158V120-S179 WeakPolarHBondContact CG1-OG 3.04Å; N158-S179 WeakPolarHBondContact CA-O 3.04Å; N158-S179 WeakPolarHBondContact CB-O 3.43Å; N158-S179 PolarHBondContact O-N 3.3Å
180P90.1Very high92.8Very high84 Ų8446 Ų4655%0.54524%0.244SC..SBendcis-71.5154.7-6.331.2-35.4000112.3N158N158-P180 PolarHBondContact ND2-O 3.27Å; N158-P180 VanDerWaalsContact ND2-O 3.08Å
181L87.5Confident93Very high44 Ų4442.5 Ų42.523%0.2323%0.228CC..  trans-80.3124.3170.4-177.374.5000109.7V123 I178 E185 I206 L208V123-L181 HydrophobicContact CB-CD1 4.49Å; V123-L181 HydrophobicContact CG2-CD1 4.37Å; V123-L181 HydrophobicContact CG2-CD2 3.78Å; V123-L181 HydrophobicContact CG2-CG 4.48Å; I178-L181 HydrophobicContact CG2-CD1 4.1Å; L181-E185 HydrophobicContact CD1-CB 3.8Å; L181-I206 HydrophobicContact CD1-CG2 3.71Å; L181-L208 HydrophobicContact CD2-CD1 3.58Å; L181-L208 HydrophobicContact CG-CD1 3.86Å
182T89.7Confident93.1Very high52 Ų5243 Ų4332%0.31923%0.23SC..  trans-120.8177.7177.279.50000111.4E184 E185T182-E184 PolarHBondContact O-N 2.95Å; T182-E184 WeakPolarHBondContact OG1-CB 3.03Å; T182-E184 PolarHBondContact OG1-N 2.86Å; T182-E185 WeakPolarHBondContact CA-OE2 3.33Å; T182-E185 VanDerWaalsContact CB-OE2 3.31Å; T182-E185 WeakPolarHBondContact CB-OE2 3.39Å; T182-E185 PolarHBondContact N-OE2 2.73Å; T182-E185 PolarHBondContact O-N 3.24Å; T182-E185 PolarHBondContact OG1-OE2 2.96Å
183E89.1Confident93.2Very high123 Ų12343 Ų4358%0.57523%0.232SC*.G310 helixtrans-60.2-29.1173.2-67.6-178.9-164.200112E185 E186 L208 R210E183-E185 VanDerWaalsContact C-N 3.27Å; E183-E185 PolarHBondContact O-N 2.04Å; E183-E186 PolarHBondContact O-N 3.32Å; E183-L208 HydrophobicContact CB-CD2 4.27Å; E183-L208 HydrophobicContact CG-CD2 3.54Å; E183-R210 IonicContact OE1-CZ 3.3Å; E183-R210 VanDerWaalsContact OE1-CZ 3.3Å; E183-R210 IonicContact OE1-NH1 3.78Å; E183-R210 IonicContact OE1-NH2 2.6Å; E183-R210 PolarHBondContact OE1-NH2 3.11Å; E183-R210 IonicContact OE2-NH2 3.67Å
184E89.5Confident93.3Very high150 Ų15043.9 Ų43.970%0.70124%0.24SC*.G310 helixtrans-64.5-34.7-179.5-61.9-172.8-171.200111K141 T182 E186K141-E184 PolarHBondContact NZ-O 2.04Å; T182-E184 PolarHBondContact O-N 2.95Å; T182-E184 WeakPolarHBondContact OG1-CB 3.03Å; T182-E184 PolarHBondContact OG1-N 2.86Å; E184-E186 PolarHBondContact O-N 3.26Å
185E91.4Very high93.4Very high4 Ų445.9 Ų45.92%0.01925%0.251CS..G310 helixtrans-81.9-8-178.7-69.879.1-146.600114.8N158 I178 L181 T182 E183 G187 Y189N158-E185 PolarHBondContact ND2-OE1 3.47Å; N158-E185 PolarHBondContact ND2-OE2 3.45Å; I178-E185 HydrophobicContact CD1-CB 4.03Å; I178-E185 HydrophobicContact CD1-CG 4Å; I178-E185 HydrophobicContact CG2-CB 4.16Å; I178-E185 HydrophobicContact CG2-CG 3.66Å; L181-E185 HydrophobicContact CD1-CB 3.8Å; T182-E185 WeakPolarHBondContact CA-OE2 3.33Å; T182-E185 VanDerWaalsContact CB-OE2 3.31Å; T182-E185 WeakPolarHBondContact CB-OE2 3.39Å; T182-E185 PolarHBondContact N-OE2 2.73Å; T182-E185 PolarHBondContact O-N 3.24Å; T182-E185 PolarHBondContact OG1-OE2 2.96Å; E183-E185 VanDerWaalsContact C-N 3.27Å; E183-E185 PolarHBondContact O-N 2.04Å; E185-G187 PolarHBondContact O-N 3.41Å; E185-Y189 WeakPolarHBondContact CA-OH 3.45Å; E185-Y189 WeakPolarHBondContact O-CE2 3.37Å; E185-Y189 PolarHBondContact O-OH 3.39Å
186E90.6Very high93.5Very high77 Ų7746.5 Ų46.536%0.3627%0.268SS..  trans-61.1134.7171.4-178.2165.1-153.700110.2E183 E184 I206 H207 L208 K218E183-E186 PolarHBondContact O-N 3.32Å; E184-E186 PolarHBondContact O-N 3.26Å; E186-I206 WeakPolarHBondContact CG-O 3.48Å; E186-H207 IonicContact OE1-ND1 3.91Å; E186-L208 HydrophobicContact CB-CB 4.44Å; E186-K218 IonicContact OE1-NZ 3.59Å
187G90.9Very high93.6Very high24 Ų2456.3 Ų56.325%0.24731%0.305CS..EExtended strand (participates in β ladder)trans145.6-170.6178.600000114.5E185 Y189 A205 I206E185-G187 PolarHBondContact O-N 3.41Å; G187-Y189 WeakPolarHBondContact O-CD2 3.5Å; G187-A205 CarbonylContact O-C 3.56Å; G187-A205 WeakPolarHBondContact O-CA 3.23Å; G187-I206 PolarHBondContact N-O 2.81Å; G187-I206 PolarHBondContact O-N 3.48Å
188S93Very high93.7Very high52 Ų5255.3 Ų55.336%0.36431%0.31SS..EExtended strand (participates in β ladder)trans-98.2140.9-179.9-630000111.5V142 G204V142-S188 WeakPolarHBondContact CB-O 3.31Å; V142-S188 PolarHBondContact N-O 3.27Å; S188-G204 CarbonylContact C-O 3.01Å; S188-G204 WeakPolarHBondContact CA-O 3.32Å
189Y94.8Very high93.9Very high0 Ų062.3 Ų62.30%034%0.342CS..EExtended strand (participates in β ladder)trans-128.4129.9-177.3-67-96000108.8L125 K140 K141 L152 E185 G187 I203 G204 I206L125-Y189 VanDerWaalsContact CD1-CB 3.43Å; L125-Y189 HydrophobicContact CD1-CD1 4.3Å; L125-Y189 HydrophobicContact CD1-CD2 3.77Å; L125-Y189 HydrophobicContact CD1-CG 3.57Å; K140-Y189 CarbonylContact O-C 3.58Å; K140-Y189 WeakPolarHBondContact O-CA 3.03Å; K141-Y189 HydrophobicContact CB-CD1 4.1Å; K141-Y189 HydrophobicContact CB-CE1 3.96Å; K141-Y189 HydrophobicContact CD-CE1 3.94Å; K141-Y189 HydrophobicContact CG-CD1 4.14Å; K141-Y189 HydrophobicContact CG-CE1 3.75Å; L152-Y189 HydrophobicContact CD1-CD1 3.68Å; L152-Y189 HydrophobicContact CD1-CE1 3.99Å; E185-Y189 WeakPolarHBondContact CA-OH 3.45Å; E185-Y189 WeakPolarHBondContact O-CE2 3.37Å; E185-Y189 PolarHBondContact O-OH 3.39Å; G187-Y189 WeakPolarHBondContact O-CD2 3.5Å; Y189-I203 CarbonylContact O-C 3.45Å; Y189-I203 VanDerWaalsContact O-CA 3.28Å; Y189-I203 WeakPolarHBondContact O-CA 3.42Å; Y189-G204 PolarHBondContact N-O 3.47Å; Y189-G204 PolarHBondContact O-N 3.23Å; Y189-I206 HydrophobicContact CD2-CD1 4.04Å; Y189-I206 HydrophobicContact CD2-CG1 3.99Å; Y189-I206 HydrophobicContact CE2-CB 4.02Å; Y189-I206 HydrophobicContact CE2-CD1 3.6Å; Y189-I206 HydrophobicContact CE2-CG1 3.8Å
190E95.5Very high94.1Very high44 Ų4463.2 Ų63.221%0.20635%0.353CS..EExtended strand (participates in β ladder)trans-103.3128.3178.5-175.2-179.399.800109.9W139 K140 V142 S201 A202 I203W139-E190 WeakPolarHBondContact CA-O 3.3Å; K140-E190 PolarHBondContact N-O 3.06Å; K140-E190 IonicContact NZ-OE1 2.8Å; K140-E190 PolarHBondContact O-N 3.21Å; V142-E190 HydrophobicContact CG2-CB 4.15Å; E190-S201 PolarHBondContact OE1-OG 3.01Å; E190-A202 WeakPolarHBondContact CA-O 3.46Å; E190-I203 HydrophobicContact CB-CG1 4.26Å; E190-I203 HydrophobicContact CG-CG1 4.32Å
191C97.2Very high94.4Very high5 Ų562.4 Ų62.43%0.03435%0.349CS..EExtended strand (participates in β ladder)trans-95122.2161.3174.70000108.5C127 W139 S201 A202C127-C191 HydrophobicContact CB-CB 3.46Å; C127-C191 VanDerWaalsContact CB-CB 3.46Å; C127-C191 WeakPolarHBondContact CB-SG 3.39Å; C127-C191 WeakPolarHBondContact SG-CB 3.47Å; C127-C191 CovalentContact SG-SG 2.03Å; C127-C191 PolarHBondContact SG-SG 3.29Å; W139-C191 HydrophobicContact CD2-CB 4.23Å; W139-C191 HydrophobicContact CE3-CB 3.97Å; W139-C191 HydrophobicContact CH2-CB 3.88Å; W139-C191 HydrophobicContact CZ2-CB 4.12Å; W139-C191 HydrophobicContact CZ3-CB 3.78Å; C191-S201 CarbonylContact O-C 3.52Å; C191-S201 VanDerWaalsContact O-CA 3.23Å; C191-S201 WeakPolarHBondContact O-CA 3.42Å; C191-A202 PolarHBondContact N-O 3.19Å; C191-A202 PolarHBondContact O-N 2.04Å
192H97.3Very high94.7Very high26 Ų2663.1 Ų63.112%0.1236%0.361CS..EExtended strand (participates in β ladder)trans-112.9126.3175.6172.8-101.6000109.4L137 T138 E199 S201L137-H192 CarbonylContact C-O 3.59Å; L137-H192 WeakPolarHBondContact CA-O 3.42Å; T138-H192 PolarHBondContact N-O 2.96Å; T138-H192 PolarHBondContact O-N 3.49Å; H192-E199 IonicContact CD2-OE2 2.94Å; H192-E199 IonicContact CE1-OE2 3.18Å; H192-E199 IonicContact NE2-OE2 3.97Å; H192-E199 PolarHBondContact NE2-OE2 2.99Å; H192-S201 PolarHBondContact CD2-OG 2.86Å; H192-S201 VanDerWaalsContact CD2-OG 3.29Å
193A98Very high94.9Very high11 Ų1165.9 Ų65.99%0.09137%0.373CS..EExtended strand (participates in β ladder)trans-113.9127.6178.200000109.4A129 P135 V136 L137 E199 A200A129-A193 HydrophobicContact CB-CB 3.6Å; P135-A193 HydrophobicContact CB-CB 4.31Å; V136-A193 WeakPolarHBondContact O-CA 3.39Å; L137-A193 HydrophobicContact CD2-CB 3.58Å; A193-E199 CarbonylContact O-C 3.56Å; A193-E199 VanDerWaalsContact O-CA 3.23Å; A193-E199 WeakPolarHBondContact O-CA 3.39Å; A193-A200 PolarHBondContact N-O 3Å; A193-A200 PolarHBondContact O-N 3.24Å
194A98.1Very high95.1Very high31 Ų3161.3 Ų61.326%0.25636%0.359SS..EExtended strand (participates in β ladder)trans-139.4142.7-179.200000113.2P135 V136 E199P135-A194 CarbonylContact C-O 2.94Å; P135-A194 VanDerWaalsContact CA-O 3.31Å; P135-A194 WeakPolarHBondContact CA-O 3.29Å; V136-A194 PolarHBondContact N-O 2.93Å; V136-A194 PolarHBondContact O-N 3.47Å; A194-E199 HydrophobicContact CB-CB 4.22Å
195N97.6Very high95.2Very high43 Ų4356.6 Ų56.623%0.2335%0.346CS..EExtended strand (participates in β ladder)trans-140.5-175.216868.913.5000110.4P133 P135 R197 G198P133-N195 WeakPolarHBondContact O-CB 3.09Å; P133-N195 PolarHBondContact O-ND2 2.78Å; P135-N195 HydrophobicContact CB-CB 4.27Å; N195-R197 PolarHBondContact O-N 3.37Å; N195-R197 WeakPolarHBondContact OD1-CA 3.04Å; N195-R197 WeakPolarHBondContact OD1-CB 3.36Å; N195-R197 PolarHBondContact OD1-N 3.04Å; N195-G198 PolarHBondContact N-O 3.31Å; N195-G198 PolarHBondContact O-N 2.97Å; N195-G198 PolarHBondContact OD1-N 3.18Å; N195-G198 VanDerWaalsContact OD1-N 3.13Å; N195-G198 PolarHBondContact OD1-O 3.08Å
196S97.8Very high95.1Very high98 Ų9856.7 Ų56.769%0.68535%0.346SS*.THydrogen-bonded Turntrans-66.8-4.3179.763.30000114.9P133P133-S196 WeakPolarHBondContact CD-OG 3.3Å
197R98.1Very high95Very high206 Ų20658.2 Ų58.278%0.77735%0.353SS*.THydrogen-bonded Turntrans-105.5-20.3-179.7-57.5-51.6-54.1-176.81113.1V132 N195V132-R197 WeakPolarHBondContact O-CG 3.15Å; N195-R197 PolarHBondContact O-N 3.37Å; N195-R197 WeakPolarHBondContact OD1-CA 3.04Å; N195-R197 WeakPolarHBondContact OD1-CB 3.36Å; N195-R197 PolarHBondContact OD1-N 3.04Å
198G96.9Very high94.7Very high40 Ų4058.7 Ų58.741%0.41235%0.35SS..EExtended strand (participates in β ladder)trans162.3-166.7179.300000113.1N195N195-G198 PolarHBondContact N-O 3.31Å; N195-G198 PolarHBondContact O-N 2.97Å; N195-G198 PolarHBondContact OD1-N 3.18Å; N195-G198 VanDerWaalsContact OD1-N 3.13Å; N195-G198 PolarHBondContact OD1-O 3.08Å
199E97.6Very high94.2Very high148 Ų14859.4 Ų59.469%0.69235%0.352SS*.EExtended strand (participates in β ladder)trans-140.5154.6-177.160-178.717700112.1H192 A193 A194H192-E199 IonicContact CD2-OE2 2.94Å; H192-E199 IonicContact CE1-OE2 3.18Å; H192-E199 IonicContact NE2-OE2 3.97Å; H192-E199 PolarHBondContact NE2-OE2 2.99Å; A193-E199 CarbonylContact O-C 3.56Å; A193-E199 VanDerWaalsContact O-CA 3.23Å; A193-E199 WeakPolarHBondContact O-CA 3.39Å; A194-E199 HydrophobicContact CB-CB 4.22Å
200A95.9Very high93.5Very high66 Ų6668 Ų6855%0.54538%0.384SS..EExtended strand (participates in β ladder)trans-144.8145.5173.900000110.1A193A193-A200 PolarHBondContact N-O 3Å; A193-A200 PolarHBondContact O-N 3.24Å
201S95.7Very high92.6Very high66 Ų6668.4 Ų68.446%0.46239%0.392SS..EExtended strand (participates in β ladder)trans-130.1146.8175.8-70.80000111.9E190 C191 H192E190-S201 PolarHBondContact OE1-OG 3.01Å; C191-S201 CarbonylContact O-C 3.52Å; C191-S201 VanDerWaalsContact O-CA 3.23Å; C191-S201 WeakPolarHBondContact O-CA 3.42Å; H192-S201 PolarHBondContact CD2-OG 2.86Å; H192-S201 VanDerWaalsContact CD2-OG 3.29Å
202A95.1Very high91.4Very high60 Ų6073.1 Ų73.150%0.49642%0.42SS..EExtended strand (participates in β ladder)trans-136.2145.6171.100000110.5E190 C191E190-A202 WeakPolarHBondContact CA-O 3.46Å; C191-A202 PolarHBondContact N-O 3.19Å; C191-A202 PolarHBondContact O-N 2.04Å
203I93.4Very high90.2Very high109 Ų10977.3 Ų77.356%0.55944%0.444SS*.EExtended strand (participates in β ladder)trans-112.3132.2-178.2-61.8174.9000110Y189 E190Y189-I203 CarbonylContact O-C 3.45Å; Y189-I203 VanDerWaalsContact O-CA 3.28Å; Y189-I203 WeakPolarHBondContact O-CA 3.42Å; E190-I203 HydrophobicContact CB-CG1 4.26Å; E190-I203 HydrophobicContact CG-CG1 4.32Å
204G92.4Very high88.8Confident28 Ų2880.3 Ų80.329%0.28946%0.458SS..EExtended strand (participates in β ladder)trans-116157.8165.800000110.9S188 Y189S188-G204 CarbonylContact C-O 3.01Å; S188-G204 WeakPolarHBondContact CA-O 3.32Å; Y189-G204 PolarHBondContact N-O 3.47Å; Y189-G204 PolarHBondContact O-N 3.23Å
205A91.3Very high87.3Confident50 Ų5082.9 Ų82.941%0.41347%0.466SS..EExtended strand (participates in β ladder)trans-122.2140.5177.900000111.1G187G187-A205 CarbonylContact O-C 3.56Å; G187-A205 WeakPolarHBondContact O-CA 3.23Å
206I90.7Very high85.6Confident6 Ų686.4 Ų86.43%0.03148%0.484CS..EExtended strand (participates in β ladder)trans-104.5130.3169.5-62-178.2000107.2V123 L125 I178 L181 E186 G187 Y189V123-I206 HydrophobicContact CG1-CD1 4.07Å; V123-I206 HydrophobicContact CG1-CG1 4.24Å; V123-I206 HydrophobicContact CG1-CG2 4.32Å; L125-I206 HydrophobicContact CD1-CD1 3.98Å; L125-I206 HydrophobicContact CD1-CG1 4.07Å; L125-I206 HydrophobicContact CD2-CG1 4.09Å; L125-I206 HydrophobicContact CG-CD1 4.1Å; L125-I206 HydrophobicContact CG-CG1 4.16Å; I178-I206 HydrophobicContact CD1-CD1 3.37Å; L181-I206 HydrophobicContact CD1-CG2 3.71Å; E186-I206 WeakPolarHBondContact CG-O 3.48Å; G187-I206 PolarHBondContact N-O 2.81Å; G187-I206 PolarHBondContact O-N 3.48Å; Y189-I206 HydrophobicContact CD2-CD1 4.04Å; Y189-I206 HydrophobicContact CD2-CG1 3.99Å; Y189-I206 HydrophobicContact CE2-CB 4.02Å; Y189-I206 HydrophobicContact CE2-CD1 3.6Å; Y189-I206 HydrophobicContact CE2-CG1 3.8Å
207H87.6Confident83.7Confident109 Ų10989.2 Ų89.251%0.50548%0.484SS..  trans-117.8124175.4-65-59.1000109.1E186 V209E186-H207 IonicContact OE1-ND1 3.91Å; H207-V209 PolarHBondContact O-N 3.31Å
208L85.4Confident81.7Confident35 Ų3584.5 Ų84.518%0.18347%0.47CS..  trans-77.6123.9172.7-175.569.5000108.7L181 E183 E186L181-L208 HydrophobicContact CD2-CD1 3.58Å; L181-L208 HydrophobicContact CG-CD1 3.86Å; E183-L208 HydrophobicContact CB-CD2 4.27Å; E183-L208 HydrophobicContact CG-CD2 3.54Å; E186-L208 HydrophobicContact CB-CB 4.44Å
209V82.8Confident79.9Confident66 Ų6686.8 Ų86.840%0.448%0.475SS..  trans-111.5123178.8174.90000107.7H207 S211 D214 I215H207-V209 PolarHBondContact O-N 3.31Å; V209-S211 WeakPolarHBondContact CG1-O 3.45Å; V209-D214 HydrophobicContact CG1-CB 4.29Å; V209-I215 HydrophobicContact CB-CG1 4.33Å; V209-I215 HydrophobicContact CG1-CD1 3.91Å; V209-I215 HydrophobicContact CG1-CG1 3.47Å; V209-I215 VanDerWaalsContact CG1-CG1 3.47Å; V209-I215 HydrophobicContact CG2-CG1 3.93Å
210R79.1Confident77.6Confident182 Ų18281.8 Ų81.869%0.68746%0.464SS*.SBendtrans-96.2-27.5-178.8-60-176.2-169.9-175.44.4112.3E183 D214E183-R210 IonicContact OE1-CZ 3.3Å; E183-R210 VanDerWaalsContact OE1-CZ 3.3Å; E183-R210 IonicContact OE1-NH1 3.78Å; E183-R210 IonicContact OE1-NH2 2.6Å; E183-R210 PolarHBondContact OE1-NH2 3.11Å; E183-R210 IonicContact OE2-NH2 3.67Å; R210-D214 PolarHBondContact N-OD2 3.41Å
211S76.2Confident75.5Confident51 Ų5185.4 Ų85.436%0.35747%0.467SS..SBendtrans-138.2154.9171.4-178.40000111.2V209 D213 D214V209-S211 WeakPolarHBondContact CG1-O 3.45Å; S211-D213 PolarHBondContact O-N 3.03Å; S211-D213 PolarHBondContact OG-N 2.04Å; S211-D213 PolarHBondContact OG-OD2 2.7Å; S211-D214 PolarHBondContact N-OD2 2.9Å; S211-D214 VanDerWaalsContact N-OD2 3.11Å; S211-D214 WeakPolarHBondContact O-CB 3.49Å; S211-D214 PolarHBondContact O-N 3.02Å; S211-D214 VanDerWaalsContact O-N 3.08Å
212V71.9Confident73.3Confident105 Ų10589.9 Ų89.964%0.63648%0.481SS*.Hα-helixtrans-57.9-29.4175.1-170.80000111.6D214 I215V212-D214 VanDerWaalsContact C-N 3.27Å; V212-D214 PolarHBondContact O-N 2.61Å; V212-I215 WeakPolarHBondContact O-CB 3.4Å; V212-I215 PolarHBondContact O-N 3.26Å
213D73.8Confident70.9Confident114 Ų11491.5 Ų91.561%0.6149%0.489SS*.Hα-helixtrans-64.2-30.1178.4-56.2-49.8000113S211 I215 I216 F217S211-D213 PolarHBondContact O-N 3.03Å; S211-D213 PolarHBondContact OG-N 2.04Å; S211-D213 PolarHBondContact OG-OD2 2.7Å; D213-I215 PolarHBondContact O-N 3.36Å; D213-I216 PolarHBondContact O-N 3.05Å; D213-F217 PolarHBondContact O-N 2.87Å
214D66.8Low68.5Low73 Ų7390.2 Ų90.239%0.3949%0.489SS..Hα-helixtrans-67.9-27.3-180-61-33.6000111.9V209 R210 S211 V212 K218V209-D214 HydrophobicContact CG1-CB 4.29Å; R210-D214 PolarHBondContact N-OD2 3.41Å; S211-D214 PolarHBondContact N-OD2 2.9Å; S211-D214 VanDerWaalsContact N-OD2 3.11Å; S211-D214 WeakPolarHBondContact O-CB 3.49Å; S211-D214 PolarHBondContact O-N 3.02Å; S211-D214 VanDerWaalsContact O-N 3.08Å; V212-D214 VanDerWaalsContact C-N 3.27Å; V212-D214 PolarHBondContact O-N 2.61Å; D214-K218 PolarHBondContact O-N 3.22Å
215I67Low66.2Low85 Ų8595.5 Ų95.544%0.43651%0.511SS..Hα-helixtrans-68.9-44.9178.3-54179.4000110V209 V212 D213 F217 T219V209-I215 HydrophobicContact CB-CG1 4.33Å; V209-I215 HydrophobicContact CG1-CD1 3.91Å; V209-I215 HydrophobicContact CG1-CG1 3.47Å; V209-I215 VanDerWaalsContact CG1-CG1 3.47Å; V209-I215 HydrophobicContact CG2-CG1 3.93Å; V212-I215 WeakPolarHBondContact O-CB 3.4Å; V212-I215 PolarHBondContact O-N 3.26Å; D213-I215 PolarHBondContact O-N 3.36Å; I215-F217 PolarHBondContact O-N 3.42Å; I215-T219 PolarHBondContact O-N 3.49Å; I215-T219 VanDerWaalsContact O-N 3.17Å; I215-T219 PolarHBondContact O-OG1 3.43Å
216I61.6Low63.8Low117 Ų117100.1 Ų100.160%0.653%0.527SS*.Hα-helixtrans-65.1-43-176.7-59175.5000110D213 T219 G220D213-I216 PolarHBondContact O-N 3.05Å; I216-T219 PolarHBondContact O-N 3.03Å; I216-G220 PolarHBondContact O-N 3.06Å
217F57.8Low61.3Low157 Ų157111.1 Ų111.169%0.68958%0.583SS**Hα-helixtrans-65.7-41.5-178.5-161.4-91.1000113D213 I215 K221D213-F217 PolarHBondContact O-N 2.87Å; I215-F217 PolarHBondContact O-N 3.42Å; F217-K221 PolarHBondContact O-N 3.36Å
218K57.9Low60Low108 Ų108111.2 Ų111.247%0.4759%0.587SS.*Hα-helixtrans-68.1-35.7177.1-74.7-170.2177.6179.40112.4E186 D214E186-K218 IonicContact OE1-NZ 3.59Å; D214-K218 PolarHBondContact O-N 3.22Å
219T58.7Low58.6Low87 Ų87115.2 Ų115.253%0.53461%0.609SS.*Hα-helixtrans-72.2-37.9179.7-44.70000111.7I215 I216 K221 Q222I215-T219 PolarHBondContact O-N 3.49Å; I215-T219 VanDerWaalsContact O-N 3.17Å; I215-T219 PolarHBondContact O-OG1 3.43Å; I216-T219 PolarHBondContact O-N 3.03Å; T219-K221 VanDerWaalsContact C-N 3.32Å; T219-K221 PolarHBondContact O-N 3.42Å; T219-Q222 PolarHBondContact O-N 3.11Å
220G48Very low57.3Low44 Ų44117.9 Ų117.945%0.45462%0.62SS.*Hα-helixtrans-65.8-29.4176.200000114.5I216 S224I216-G220 PolarHBondContact O-N 3.06Å; G220-S224 PolarHBondContact O-OG 3.35Å
221K51.8Low56Low141 Ų141114.2 Ų114.261%0.61362%0.616SS**Hα-helixtrans-76.4-31178.3-151.5171.9-174.7177.80113.1F217 T219 S223 S224F217-K221 PolarHBondContact O-N 3.36Å; T219-K221 VanDerWaalsContact C-N 3.32Å; T219-K221 PolarHBondContact O-N 3.42Å; K221-S223 VanDerWaalsContact C-N 3.3Å; K221-S223 PolarHBondContact O-N 3.47Å; K221-S224 PolarHBondContact O-N 3.15Å; K221-S224 PolarHBondContact O-OG 2.82Å
222Q49.5Very low54.7Low160 Ų160118.1 Ų118.175%0.74863%0.633SS**Hα-helixtrans-70-25.1172.8-81-173.7-8.700113.4T219T219-Q222 PolarHBondContact O-N 3.11Å
223S44.5Very low53.6Low95 Ų95119 Ų11966%0.66463%0.632SS**THydrogen-bonded Turntrans-82.4-14178.1-172.50000113.9K221K221-S223 VanDerWaalsContact C-N 3.3Å; K221-S223 PolarHBondContact O-N 3.47Å
224S44.3Very low52.1Low81 Ų81119.4 Ų119.457%0.56663%0.634SS**SBendtrans-95.9-2.7-174.120.50000114.5G220 K221G220-S224 PolarHBondContact O-OG 3.35Å; K221-S224 PolarHBondContact O-N 3.15Å; K221-S224 PolarHBondContact O-OG 2.82Å
225D43.9Very low51Low139 Ų139122.9 Ų122.974%0.74365%0.653SS**SBendtrans-101.917.1178.1-69.7-31.9000113.4
226I40.8Very low49.7Very low147 Ų147126.1 Ų126.175%0.75467%0.671SS**  trans-124.373.5170.5-53.8169.7000109.1
227I37.2Very low48.6Very low237 Ų237126.9 Ų126.9100%1.21568%0.677SS**  trans-145.80150.3-56-174.4000107.8

Retrieved 227 of 227 residues in 196.8 ms (Link to these results)