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Apoptosis regulatory protein Siva

Induces CD27-mediated apoptosis. Inhibits BCL2L1 isoform Bcl-x(L) anti-apoptotic activity. Inhibits activation of NF-kappa-B and promotes T-cell receptor-mediated apoptosis.

AlphaFold DB (A0A2K6P267), UniProt , Accession A0A096NK31, Species PAPAN (Papio anubis, Olive baboon), Gene SIVA1, Length 175 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
1M58.1Low70.7Confident232 Ų232141.9 Ų141.9100%1.14379%0.791SS**  0130.60-68.4-169.9107.100108.8
2P73.8Confident70.5Confident131 Ų131135.6 Ų135.685%0.85177%0.771SS**PPolyproline II helixtrans-66.8134175.8-10.325.3000109.6R4P2-R4 PolarHBondContact O-N 3.48Å
3K79.9Confident70.5Confident210 Ų210133.7 Ų133.791%0.91377%0.767SS**PPolyproline II helixtrans-65.2133.9171.5-76-168.1178.1-178.60108.6G5K3-G5 PolarHBondContact O-N 3.49Å
4R80.8Confident70.7Confident245 Ų245135.1 Ų135.193%0.92577%0.769SS**PPolyproline II helixtrans-61.8135.7175.2-60.8-177.8-167.8-88.21.1108.8P2P2-R4 PolarHBondContact O-N 3.48Å
5G78.1Confident70.9Confident68 Ų68139.1 Ų139.170%0.70178%0.779SS**PPolyproline II helixtrans-60.7148.5175.700000111.6K3 P7K3-G5 PolarHBondContact O-N 3.49Å; G5-P7 WeakPolarHBondContact O-CD 3.39Å
6C70.4Confident71.3Confident86 Ų86138.9 Ų138.958%0.58178%0.775SS**PPolyproline II helixtrans-66.8118.5177.3179.20000109.7F8 A9C6-F8 PolarHBondContact O-N 3.12Å; C6-F8 VanDerWaalsContact O-N 3.12Å; C6-A9 HydrophobicContact CB-CB 4.41Å; C6-A9 PolarHBondContact O-N 3.4Å
7P73Confident72.1Confident112 Ų112143.1 Ų143.173%0.72778%0.783SS**THydrogen-bonded Turntrans-71.2-5.5-176.827.9-33.1000113.9G5G5-P7 WeakPolarHBondContact O-CD 3.39Å
8F70.3Confident72.8Confident150 Ų150141.5 Ų141.566%0.65878%0.778SS**THydrogen-bonded Turntrans-108.32.9-177.2-56.2-72.3000113.7C6 D10C6-F8 PolarHBondContact O-N 3.12Å; C6-F8 VanDerWaalsContact O-N 3.12Å; F8-D10 VanDerWaalsContact C-N 3.33Å; F8-D10 PolarHBondContact O-N 3.37Å
9A61.8Low73.7Confident71 Ų71146.5 Ų146.559%0.58778%0.784SS**THydrogen-bonded Turntrans-64.7-34.1-171.900000113.4C6C6-A9 HydrophobicContact CB-CB 4.41Å; C6-A9 PolarHBondContact O-N 3.4Å
10D63.9Low74.6Confident170 Ų170144 Ų14491%0.90977%0.774SS**THydrogen-bonded Turntrans-107-6.2-169.2-62.8-33.9000114.8F8F8-D10 VanDerWaalsContact C-N 3.33Å; F8-D10 PolarHBondContact O-N 3.37Å
11A67.4Low75.5Confident86 Ų86138.1 Ų138.171%0.71175%0.748SS**THydrogen-bonded Turntrans-135.42.9-17100000115.7P13A11-P13 WeakPolarHBondContact O-CD 3.33Å
12A68.5Low77.2Confident66 Ų66132.9 Ų132.955%0.54572%0.721SS.*  trans-72.1119.5175.700000109.4L14A12-L14 PolarHBondContact O-N 3.26Å
13P70.9Confident78.1Confident111 Ų111134.2 Ų134.272%0.72171%0.708SS**  trans-57.6131.9173.822.4-30.6000108.7A11 Q15A11-P13 WeakPolarHBondContact O-CD 3.33Å; P13-Q15 PolarHBondContact O-N 2.92Å
14L72.7Confident78.8Confident153 Ų153129.3 Ų129.380%0.80169%0.689SS**  trans-53.7109.9175.3-74.4165.3000108.3A12 L16A12-L14 PolarHBondContact O-N 3.26Å; L14-L16 HydrophobicContact CB-CD2 4.3Å; L14-L16 HydrophobicContact CB-CG 4.2Å; L14-L16 PolarHBondContact O-N 2.91Å
15Q74.1Confident79.4Confident195 Ų195120 Ų12091%0.91166%0.659SS**  trans-71.285.8174-71.3-174.8-13.100108.4P13 K17P13-Q15 PolarHBondContact O-N 2.92Å; Q15-K17 PolarHBondContact O-N 3.19Å
16L77.8Confident80.1Confident136 Ų136118.6 Ų118.671%0.71264%0.639SS**  trans-81115.3177.8-63.1175.3000109.1L14 V18L14-L16 HydrophobicContact CB-CD2 4.3Å; L14-L16 HydrophobicContact CB-CG 4.2Å; L14-L16 PolarHBondContact O-N 2.91Å; L16-V18 PolarHBondContact O-N 3.45Å
17K84Confident81.1Confident210 Ų210123 Ų12391%0.91364%0.643SS**  trans-77.3102.1171.5-170.5173.9-176.6175.70109.1Q15Q15-K17 PolarHBondContact O-N 3.19Å
18V85.3Confident82.1Confident115 Ų115119.7 Ų119.770%0.69763%0.629SS**  trans-83.3126.4173.6-177.40000109.3L16 V20L16-V18 PolarHBondContact O-N 3.45Å; V18-V20 HydrophobicContact CG1-CG2 4.3Å
19R89.5Confident83.2Confident236 Ų236119.5 Ų119.589%0.89164%0.64SS**  trans-84.9115.5170.2-178.8-178.7178.2-176.8-0.3108.7
20V91.8Very high84.7Confident96 Ų96117.3 Ų117.358%0.58262%0.62SS**  trans-101.2121.8170.6-173.60000108.1V18 E24 V25V18-V20 HydrophobicContact CG1-CG2 4.3Å; V20-E24 HydrophobicContact CG1-CB 3.93Å; V20-V25 HydrophobicContact CG1-CG2 3.79Å
21G93.5Very high86.2Confident22 Ų22110.9 Ų110.923%0.22759%0.591CS.*  trans-97.3173.1176.900000112.5R23 E24 V25G21-R23 PolarHBondContact O-N 2.63Å; G21-E24 WeakPolarHBondContact CA-OE2 3.19Å; G21-E24 PolarHBondContact N-OE2 2.84Å; G21-E24 PolarHBondContact O-N 2.84Å; G21-E24 VanDerWaalsContact O-OE2 3.07Å; G21-V25 WeakPolarHBondContact O-CG2 3.25Å; G21-V25 PolarHBondContact O-N 3.28Å; G21-V25 VanDerWaalsContact O-N 3.11Å
22Q93.9Very high87.6Confident122 Ų122114.2 Ų114.257%0.5759%0.592SS**Hα-helixtrans-60.3-35.5-179.9-174.758.844.100112.1V25 S26Q22-V25 PolarHBondContact O-N 3.02Å; Q22-S26 PolarHBondContact NE2-OG 3.13Å; Q22-S26 VanDerWaalsContact O-CB 3.26Å; Q22-S26 WeakPolarHBondContact O-CB 3.46Å; Q22-S26 PolarHBondContact O-N 2.94Å; Q22-S26 PolarHBondContact O-OG 3.5Å; Q22-S26 VanDerWaalsContact O-OG 3.1Å
23R92.6Very high89Confident158 Ų158117.3 Ų117.360%0.59659%0.589SS**Hα-helixtrans-63.6-43.1179-178.4-178.7174.2-172.8-2.6111.2G21 S26 R27G21-R23 PolarHBondContact O-N 2.63Å; R23-S26 PolarHBondContact O-N 2.74Å; R23-R27 VanDerWaalsContact NH2-NH1 3.14Å; R23-R27 WeakPolarHBondContact O-CB 3.44Å; R23-R27 WeakPolarHBondContact O-CG 3.33Å; R23-R27 PolarHBondContact O-N 2.8Å
24E94.1Very high90.2Very high107 Ų107115.3 Ų115.350%0.557%0.568SS.*Hα-helixtrans-66.3-40.6178.8-64.872.2-157.200110.6V20 G21 G28V20-E24 HydrophobicContact CG1-CB 3.93Å; G21-E24 WeakPolarHBondContact CA-OE2 3.19Å; G21-E24 PolarHBondContact N-OE2 2.84Å; G21-E24 PolarHBondContact O-N 2.84Å; G21-E24 VanDerWaalsContact O-OE2 3.07Å; E24-G28 WeakPolarHBondContact O-CA 3.34Å; E24-G28 PolarHBondContact O-N 3.05Å
25V93.6Very high91.3Very high50 Ų50111.4 Ų111.430%0.30355%0.553SS.*Hα-helixtrans-65.1-48.4174.5177.20000111.1V20 G21 Q22 R27 G28 C30V20-V25 HydrophobicContact CG1-CG2 3.79Å; G21-V25 WeakPolarHBondContact O-CG2 3.25Å; G21-V25 PolarHBondContact O-N 3.28Å; G21-V25 VanDerWaalsContact O-N 3.11Å; Q22-V25 PolarHBondContact O-N 3.02Å; V25-R27 VanDerWaalsContact C-N 3.28Å; V25-R27 PolarHBondContact O-N 2.96Å; V25-G28 PolarHBondContact O-N 3Å; V25-C30 HydrophobicContact CG1-CB 4.29Å; V25-C30 WeakPolarHBondContact O-CB 3.15Å; V25-C30 PolarHBondContact O-N 2.95Å; V25-C30 VanDerWaalsContact O-N 3.07Å
26S93.2Very high92.4Very high39 Ų39107.9 Ų107.927%0.27354%0.537SS..Hα-helixtrans-66.6-27-178-70.80000113.7Q22 R23 A31 Y34Q22-S26 PolarHBondContact NE2-OG 3.13Å; Q22-S26 VanDerWaalsContact O-CB 3.26Å; Q22-S26 WeakPolarHBondContact O-CB 3.46Å; Q22-S26 PolarHBondContact O-N 2.94Å; Q22-S26 PolarHBondContact O-OG 3.5Å; Q22-S26 VanDerWaalsContact O-OG 3.1Å; R23-S26 PolarHBondContact O-N 2.74Å; S26-A31 VanDerWaalsContact O-CA 3.25Å; S26-A31 WeakPolarHBondContact O-CA 2.96Å; S26-Y34 WeakPolarHBondContact OG-CE2 2.96Å
27R91.7Very high93.4Very high179 Ų179106.2 Ų106.268%0.67553%0.525SS*.Hα-helixtrans-99.2-13176.8-67.4-177.1176.4-154.5-4.9114.1R23 V25 A31R23-R27 VanDerWaalsContact NH2-NH1 3.14Å; R23-R27 WeakPolarHBondContact O-CB 3.44Å; R23-R27 WeakPolarHBondContact O-CG 3.33Å; R23-R27 PolarHBondContact O-N 2.8Å; V25-R27 VanDerWaalsContact C-N 3.28Å; V25-R27 PolarHBondContact O-N 2.96Å; R27-A31 WeakPolarHBondContact O-CB 3.29Å
28G93.8Very high94Very high42 Ų42100.7 Ų100.743%0.43351%0.509SS..THydrogen-bonded Turntrans-101-113.117700000110.9E24 V25 C30 A31E24-G28 WeakPolarHBondContact O-CA 3.34Å; E24-G28 PolarHBondContact O-N 3.05Å; V25-G28 PolarHBondContact O-N 3Å; G28-C30 PolarHBondContact O-N 2.88Å; G28-C30 VanDerWaalsContact O-N 3.09Å; G28-A31 WeakPolarHBondContact O-CB 3.32Å; G28-A31 PolarHBondContact O-N 2.77Å
29V92.4Very high94.6Very high146 Ų146101.2 Ų101.289%0.88550%0.502SS*.THydrogen-bonded Turntrans-56.6-31.2-171.4-175.40000113.4
30C94Very high95Very high24 Ų2494.2 Ų94.216%0.16248%0.479CS..THydrogen-bonded Turntrans-98.26179.3-620000114.4V25 G28 E32 Y34V25-C30 HydrophobicContact CG1-CB 4.29Å; V25-C30 WeakPolarHBondContact O-CB 3.15Å; V25-C30 PolarHBondContact O-N 2.95Å; V25-C30 VanDerWaalsContact O-N 3.07Å; G28-C30 PolarHBondContact O-N 2.88Å; G28-C30 VanDerWaalsContact O-N 3.09Å; C30-E32 PolarHBondContact O-N 2.84Å; C30-Y34 HydrophobicContact CB-CD2 3.63Å; C30-Y34 HydrophobicContact CB-CE2 3.35Å; C30-Y34 HydrophobicContact CB-CG 4.49Å; C30-Y34 VanDerWaalsContact O-CD2 3.25Å; C30-Y34 WeakPolarHBondContact O-CD2 3.44Å; C30-Y34 PolarHBondContact O-N 3.39Å
31A95.8Very high95.3Very high36 Ų3696.6 Ų96.630%0.29848%0.482SS..Hα-helixtrans-59-48.5-174.200000112.7S26 R27 G28 Y34 S35S26-A31 VanDerWaalsContact O-CA 3.25Å; S26-A31 WeakPolarHBondContact O-CA 2.96Å; R27-A31 WeakPolarHBondContact O-CB 3.29Å; G28-A31 WeakPolarHBondContact O-CB 3.32Å; G28-A31 PolarHBondContact O-N 2.77Å; A31-Y34 PolarHBondContact O-N 2.8Å; A31-S35 VanDerWaalsContact O-CB 3.29Å; A31-S35 WeakPolarHBondContact O-CB 3.27Å; A31-S35 PolarHBondContact O-N 3.37Å; A31-S35 PolarHBondContact O-OG 2.76Å
32E97.3Very high95.5Very high156 Ų15698.9 Ų98.973%0.72949%0.492SS*.Hα-helixtrans-61.8-52.1-177.3-173.1174.2-171.900111C30 Y34 S35 Q36C30-E32 PolarHBondContact O-N 2.84Å; E32-Y34 PolarHBondContact O-N 2.87Å; E32-S35 PolarHBondContact O-N 3.13Å; E32-S35 PolarHBondContact O-OG 2.84Å; E32-Q36 PolarHBondContact O-N 3.06Å
33R97.1Very high95.7Very high130 Ų13097.3 Ų97.349%0.49148%0.483SS..Hα-helixtrans-55.3-49.9177.5-171.9-17568.3-170-3.8112.1S35 Q36 E37R33-S35 VanDerWaalsContact C-N 3.34Å; R33-S35 PolarHBondContact O-N 3.46Å; R33-Q36 PolarHBondContact O-N 3.21Å; R33-E37 WeakPolarHBondContact CG-OE1 3.12Å; R33-E37 IonicContact NE-OE1 3.85Å; R33-E37 WeakPolarHBondContact O-CG 3.41Å; R33-E37 PolarHBondContact O-N 3.37Å
34Y96.6Very high96Very high69 Ų6998.4 Ų98.427%0.27149%0.487SS..Hα-helixtrans-67.4-35.1-179.4-68.9-38.4000112.7S26 C30 A31 E32 Q36 E37 V38S26-Y34 WeakPolarHBondContact OG-CE2 2.96Å; C30-Y34 HydrophobicContact CB-CD2 3.63Å; C30-Y34 HydrophobicContact CB-CE2 3.35Å; C30-Y34 HydrophobicContact CB-CG 4.49Å; C30-Y34 VanDerWaalsContact O-CD2 3.25Å; C30-Y34 WeakPolarHBondContact O-CD2 3.44Å; C30-Y34 PolarHBondContact O-N 3.39Å; A31-Y34 PolarHBondContact O-N 2.8Å; E32-Y34 PolarHBondContact O-N 2.87Å; Y34-Q36 VanDerWaalsContact C-N 3.3Å; Y34-Q36 PolarHBondContact O-N 3.49Å; Y34-E37 PolarHBondContact O-N 2.77Å; Y34-V38 WeakPolarHBondContact O-CB 3.47Å; Y34-V38 VanDerWaalsContact O-CG2 3.25Å; Y34-V38 WeakPolarHBondContact O-CG2 3.26Å; Y34-V38 PolarHBondContact O-N 3.14Å
35S95.3Very high96.2Very high71 Ų7198.3 Ų98.350%0.49749%0.489SS..Hα-helixtrans-63.2-40.5175.674.50000111.5A31 E32 R33 V38 F39A31-S35 VanDerWaalsContact O-CB 3.29Å; A31-S35 WeakPolarHBondContact O-CB 3.27Å; A31-S35 PolarHBondContact O-N 3.37Å; A31-S35 PolarHBondContact O-OG 2.76Å; E32-S35 PolarHBondContact O-N 3.13Å; E32-S35 PolarHBondContact O-OG 2.84Å; R33-S35 VanDerWaalsContact C-N 3.34Å; R33-S35 PolarHBondContact O-N 3.46Å; S35-V38 PolarHBondContact O-N 2.9Å; S35-F39 WeakPolarHBondContact O-CB 3.46Å; S35-F39 PolarHBondContact O-N 3.29Å
36Q97.8Very high96.4Very high121 Ų121101.7 Ų101.757%0.56551%0.505SS*.Hα-helixtrans-67.1-44.6177.1-167.9175.313.200111.6E32 R33 Y34 V38 F39 E40E32-Q36 PolarHBondContact O-N 3.06Å; R33-Q36 PolarHBondContact O-N 3.21Å; Y34-Q36 VanDerWaalsContact C-N 3.3Å; Y34-Q36 PolarHBondContact O-N 3.49Å; Q36-V38 VanDerWaalsContact C-N 3.34Å; Q36-V38 PolarHBondContact O-N 3.09Å; Q36-F39 PolarHBondContact O-N 3.1Å; Q36-E40 WeakPolarHBondContact O-CG 3.46Å; Q36-E40 PolarHBondContact O-N 3.32Å
37E97.5Very high96.6Very high102 Ų102106.3 Ų106.348%0.47752%0.521SS..Hα-helixtrans-59.6-44176-73.7172.2-160.700112R33 Y34 K41R33-E37 WeakPolarHBondContact CG-OE1 3.12Å; R33-E37 IonicContact NE-OE1 3.85Å; R33-E37 WeakPolarHBondContact O-CG 3.41Å; R33-E37 PolarHBondContact O-N 3.37Å; Y34-E37 PolarHBondContact O-N 2.77Å; E37-K41 VanDerWaalsContact O-CB 3.29Å; E37-K41 WeakPolarHBondContact O-CB 3.49Å; E37-K41 PolarHBondContact O-N 3.43Å
38V97.1Very high96.8Very high93 Ų93101.8 Ų101.856%0.56451%0.509SS*.Hα-helixtrans-64.5-43.5177169.80000110.8Y34 S35 Q36 K41 T42Y34-V38 WeakPolarHBondContact O-CB 3.47Å; Y34-V38 VanDerWaalsContact O-CG2 3.25Å; Y34-V38 WeakPolarHBondContact O-CG2 3.26Å; Y34-V38 PolarHBondContact O-N 3.14Å; S35-V38 PolarHBondContact O-N 2.9Å; Q36-V38 VanDerWaalsContact C-N 3.34Å; Q36-V38 PolarHBondContact O-N 3.09Å; V38-K41 PolarHBondContact O-N 3.1Å; V38-T42 VanDerWaalsContact O-CB 3.32Å; V38-T42 WeakPolarHBondContact O-CB 3.49Å; V38-T42 PolarHBondContact O-N 3.32Å; V38-T42 PolarHBondContact O-OG1 2.86Å
39F97.9Very high96.9Very high127 Ų127102 Ų10256%0.55751%0.511SS*.Hα-helixtrans-60.7-52178.1178.4-96.6000111.5S35 Q36 K41 T42 K43S35-F39 WeakPolarHBondContact O-CB 3.46Å; S35-F39 PolarHBondContact O-N 3.29Å; Q36-F39 PolarHBondContact O-N 3.1Å; F39-K41 VanDerWaalsContact C-N 3.34Å; F39-K41 PolarHBondContact O-N 2.83Å; F39-T42 PolarHBondContact O-N 3.43Å; F39-K43 HydrophobicContact CE1-CD 4.23Å; F39-K43 VanDerWaalsContact O-CB 3.31Å; F39-K43 WeakPolarHBondContact O-CB 3.38Å; F39-K43 PolarHBondContact O-N 2.97Å
40E98.6Very high97Very high89 Ų8997.5 Ų97.542%0.41649%0.49SS..Hα-helixtrans-63.1-39.8-179.5-72.2-57.2145.100112.2Q36 K43 R44Q36-E40 WeakPolarHBondContact O-CG 3.46Å; Q36-E40 PolarHBondContact O-N 3.32Å; E40-K43 IonicContact OE2-NZ 3.99Å; E40-R44 WeakPolarHBondContact O-CB 3.37Å; E40-R44 PolarHBondContact O-N 3.37Å
41K98.3Very high96.9Very high146 Ų146101.5 Ų101.564%0.63551%0.506SS*.Hα-helixtrans-63-45.7174.8-175.4176.3-179177.70111.7E37 V38 F39 R44 L45E37-K41 VanDerWaalsContact O-CB 3.29Å; E37-K41 WeakPolarHBondContact O-CB 3.49Å; E37-K41 PolarHBondContact O-N 3.43Å; V38-K41 PolarHBondContact O-N 3.1Å; F39-K41 VanDerWaalsContact C-N 3.34Å; F39-K41 PolarHBondContact O-N 2.83Å; K41-R44 PolarHBondContact O-N 3.11Å; K41-L45 HydrophobicContact CG-CD1 4.29Å; K41-L45 WeakPolarHBondContact O-CG 3.49Å; K41-L45 PolarHBondContact O-N 3.22Å
42T98.3Very high96.6Very high70 Ų70102 Ų10243%0.42951%0.51SS..Hα-helixtrans-63.6-46.6-180-560000110.4V38 F39 R44 L45 L46V38-T42 VanDerWaalsContact O-CB 3.32Å; V38-T42 WeakPolarHBondContact O-CB 3.49Å; V38-T42 PolarHBondContact O-N 3.32Å; V38-T42 PolarHBondContact O-OG1 2.86Å; F39-T42 PolarHBondContact O-N 3.43Å; T42-R44 PolarHBondContact O-N 2.79Å; T42-L45 PolarHBondContact O-N 2.99Å; T42-L46 HydrophobicContact CG2-CD1 4.21Å; T42-L46 WeakPolarHBondContact O-CG 3.45Å; T42-L46 PolarHBondContact O-N 3.14Å
43K98Very high96Very high88 Ų88102.4 Ų102.438%0.38351%0.506SS..Hα-helixtrans-54.2-50.5174.3179.6-177.4171.4-170.80111.4F39 E40 L45 L46 F47F39-K43 HydrophobicContact CE1-CD 4.23Å; F39-K43 VanDerWaalsContact O-CB 3.31Å; F39-K43 WeakPolarHBondContact O-CB 3.38Å; F39-K43 PolarHBondContact O-N 2.97Å; E40-K43 IonicContact OE2-NZ 3.99Å; K43-L45 PolarHBondContact O-N 3.18Å; K43-L46 PolarHBondContact O-N 3.02Å; K43-F47 HydrophobicContact CD-CE2 4.37Å; K43-F47 HydrophobicContact CG-CD2 3.8Å; K43-F47 HydrophobicContact CG-CE2 3.6Å; K43-F47 WeakPolarHBondContact O-CD2 3.35Å; K43-F47 PolarHBondContact O-N 2.99Å
44R98.2Very high95.3Very high181 Ų181101.3 Ų101.368%0.68351%0.51SS*.Hα-helixtrans-59.4-44.5178.1-174.5177.4179.3-177.6-0112.2E40 K41 T42 L46 F47 L48E40-R44 WeakPolarHBondContact O-CB 3.37Å; E40-R44 PolarHBondContact O-N 3.37Å; K41-R44 PolarHBondContact O-N 3.11Å; T42-R44 PolarHBondContact O-N 2.79Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.44Å; R44-F47 PolarHBondContact O-N 3.4Å; R44-L48 HydrophobicContact CG-CD1 3.96Å; R44-L48 HydrophobicContact CG-CG 4.35Å; R44-L48 WeakPolarHBondContact O-CB 3.05Å; R44-L48 VanDerWaalsContact O-CG 3.3Å; R44-L48 WeakPolarHBondContact O-CG 3.15Å; R44-L48 PolarHBondContact O-N 3.46Å
45L98.3Very high94.2Very high106 Ų106102.5 Ų102.556%0.55552%0.521SS*.Hα-helixtrans-62.2-40.9178-73.7171.8000112.2K41 T42 K43 L48 G49K41-L45 HydrophobicContact CG-CD1 4.29Å; K41-L45 WeakPolarHBondContact O-CG 3.49Å; K41-L45 PolarHBondContact O-N 3.22Å; T42-L45 PolarHBondContact O-N 2.99Å; K43-L45 PolarHBondContact O-N 3.18Å; L45-L48 PolarHBondContact O-N 3.46Å; L45-G49 PolarHBondContact O-N 3.2Å
46L97.8Very high92.8Very high121 Ų121105.9 Ų105.963%0.63453%0.528SS*.Hα-helixtrans-63.4-45.4177.1-69.9171.7000111.7T42 K43 R44 G49 A50T42-L46 HydrophobicContact CG2-CD1 4.21Å; T42-L46 WeakPolarHBondContact O-CG 3.45Å; T42-L46 PolarHBondContact O-N 3.14Å; K43-L46 PolarHBondContact O-N 3.02Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.44Å; L46-G49 PolarHBondContact O-N 3.38Å; L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 2.93Å
47F97.2Very high90.9Very high136 Ų136104 Ų10460%0.59653%0.525SS*.Hα-helixtrans-65.9-42.5177.4-79.1-67.2000112.6K43 R44 G49 A50 Q51K43-F47 HydrophobicContact CD-CE2 4.37Å; K43-F47 HydrophobicContact CG-CD2 3.8Å; K43-F47 HydrophobicContact CG-CE2 3.6Å; K43-F47 WeakPolarHBondContact O-CD2 3.35Å; K43-F47 PolarHBondContact O-N 2.99Å; R44-F47 PolarHBondContact O-N 3.4Å; F47-G49 VanDerWaalsContact C-N 3.33Å; F47-G49 PolarHBondContact O-N 3.19Å; F47-A50 PolarHBondContact O-N 3.42Å; F47-Q51 WeakPolarHBondContact O-CB 3.27Å; F47-Q51 PolarHBondContact O-N 2.9Å
48L96.6Very high88.6Confident84 Ų84110.1 Ų110.144%0.4454%0.544SS..Hα-helixtrans-61.8-41.5175.8-73173.1000111.8R44 L45 Q51 A52R44-L48 HydrophobicContact CG-CD1 3.96Å; R44-L48 HydrophobicContact CG-CG 4.35Å; R44-L48 WeakPolarHBondContact O-CB 3.05Å; R44-L48 VanDerWaalsContact O-CG 3.3Å; R44-L48 WeakPolarHBondContact O-CG 3.15Å; R44-L48 PolarHBondContact O-N 3.46Å; L45-L48 PolarHBondContact O-N 3.46Å; L48-Q51 PolarHBondContact O-N 2.98Å; L48-A52 WeakPolarHBondContact O-CB 3.25Å; L48-A52 PolarHBondContact O-N 3.42Å
49G94.7Very high86.3Confident45 Ų45112.8 Ų112.846%0.46456%0.555SS.*Hα-helixtrans-64.6-41.5176.200000112.7L45 L46 F47 Y53L45-G49 PolarHBondContact O-N 3.2Å; L46-G49 PolarHBondContact O-N 3.38Å; F47-G49 VanDerWaalsContact C-N 3.33Å; F47-G49 PolarHBondContact O-N 3.19Å; G49-Y53 PolarHBondContact O-N 3.31Å; G49-Y53 VanDerWaalsContact O-N 3.13Å
50A94.1Very high84Confident53 Ų53114.7 Ų114.744%0.43857%0.566SS.*Hα-helixtrans-64.6-41.1175.700000112.1L46 F47 Y53 L54L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 2.93Å; F47-A50 PolarHBondContact O-N 3.42Å; A50-Y53 PolarHBondContact O-N 3.32Å; A50-L54 WeakPolarHBondContact O-CG 3.5Å; A50-L54 PolarHBondContact O-N 3.18Å; A50-L54 VanDerWaalsContact O-N 3.14Å
51Q92.1Very high81.7Confident108 Ų108113.5 Ų113.551%0.50558%0.577SS.*Hα-helixtrans-64.6-48.7176.2-178.3175.2300111.6F47 L48 Y53 L54 D55F47-Q51 WeakPolarHBondContact O-CB 3.27Å; F47-Q51 PolarHBondContact O-N 2.9Å; L48-Q51 PolarHBondContact O-N 2.98Å; Q51-Y53 PolarHBondContact O-N 3.07Å; Q51-L54 PolarHBondContact O-N 3.37Å; Q51-D55 WeakPolarHBondContact CG-OD2 3.39Å; Q51-D55 PolarHBondContact O-N 2.87Å
52A90.3Very high79.5Confident47 Ų47113 Ų11339%0.38859%0.59SS.*Hα-helixtrans-56.3-38.7177.900000111.9L48 H56L48-A52 WeakPolarHBondContact O-CB 3.25Å; L48-A52 PolarHBondContact O-N 3.42Å; A52-H56 PolarHBondContact O-CD2 3.35Å; A52-H56 PolarHBondContact O-N 2.97Å
53Y84.6Confident76.5Confident163 Ų163113.9 Ų113.964%0.63961%0.605SS**Hα-helixtrans-63.2-44.1173.9176.7-95.5000113G49 A50 Q51 H56 V57G49-Y53 PolarHBondContact O-N 3.31Å; G49-Y53 VanDerWaalsContact O-N 3.13Å; A50-Y53 PolarHBondContact O-N 3.32Å; Q51-Y53 PolarHBondContact O-N 3.07Å; Y53-H56 PolarHBondContact O-N 3.02Å; Y53-V57 HydrophobicContact CE1-CG2 4.23Å; Y53-V57 WeakPolarHBondContact O-CG2 3.35Å; Y53-V57 PolarHBondContact O-N 2.83Å
54L81.8Confident74.2Confident108 Ų108116.4 Ų116.457%0.56563%0.627SS**Hα-helixtrans-68.8-38.3178.6-70.8174.7000112.6A50 Q51 H56 V57 W58A50-L54 WeakPolarHBondContact O-CG 3.5Å; A50-L54 PolarHBondContact O-N 3.18Å; A50-L54 VanDerWaalsContact O-N 3.14Å; Q51-L54 PolarHBondContact O-N 3.37Å; L54-H56 VanDerWaalsContact C-N 3.27Å; L54-H56 PolarHBondContact O-N 3.12Å; L54-V57 PolarHBondContact O-N 3.07Å; L54-W58 PolarHBondContact O-N 3.02Å
55D73.8Confident71.8Confident94 Ų94112.5 Ų112.550%0.50362%0.624SS.*Hα-helixtrans-62.6-36.9178.1-68.3-17.3000110.8Q51 V57 W58 D59Q51-D55 WeakPolarHBondContact CG-OD2 3.39Å; Q51-D55 PolarHBondContact O-N 2.87Å; D55-V57 VanDerWaalsContact C-N 3.33Å; D55-V57 PolarHBondContact O-N 3.34Å; D55-W58 PolarHBondContact O-N 3.44Å; D55-D59 PolarHBondContact O-N 3.45Å
56H65.6Low69.1Low141 Ų141115.4 Ų115.465%0.65363%0.634SS**Hα-helixtrans-65.8-31.6172.1-75.2-57.1000113.8A52 Y53 L54A52-H56 PolarHBondContact O-CD2 3.35Å; A52-H56 PolarHBondContact O-N 2.97Å; Y53-H56 PolarHBondContact O-N 3.02Å; L54-H56 VanDerWaalsContact C-N 3.27Å; L54-H56 PolarHBondContact O-N 3.12Å
57V57.8Low66.6Low83 Ų83116.7 Ų116.750%0.50364%0.64SS.*Hα-helixtrans-77.9-28.2179.5171.60000112Y53 L54 D55Y53-V57 HydrophobicContact CE1-CG2 4.23Å; Y53-V57 WeakPolarHBondContact O-CG2 3.35Å; Y53-V57 PolarHBondContact O-N 2.83Å; L54-V57 PolarHBondContact O-N 3.07Å; D55-V57 VanDerWaalsContact C-N 3.33Å; D55-V57 PolarHBondContact O-N 3.34Å
58W48.9Very low64.1Low230 Ų230115.7 Ų115.787%0.87165%0.648SS**Hα-helixtrans-92-18.5-177.3-158.6-83.5000114.2L54 D55 E60L54-W58 PolarHBondContact O-N 3.02Å; D55-W58 PolarHBondContact O-N 3.44Å; W58-E60 VanDerWaalsContact C-N 3.31Å
59D49.7Very low61.5Low149 Ų149120.7 Ų120.780%0.79767%0.669SS**Hα-helixtrans-76.5-18.9172.4-155.440.6000112.4D55 G61D55-D59 PolarHBondContact O-N 3.45Å; D59-G61 VanDerWaalsContact C-N 3.28Å; D59-G61 PolarHBondContact O-N 3.03Å
60E49.4Very low59.4Low167 Ų167122.8 Ų122.878%0.7868%0.676SS**  trans-9049.6174-75.9-177.4151.300112.7W58 C62W58-E60 VanDerWaalsContact C-N 3.31Å; E60-C62 PolarHBondContact O-N 2.95Å
61G50.6Low56.9Low64 Ų64125.9 Ų125.966%0.6669%0.692SS**SBendtrans-76.498161.300000110.9D59D59-G61 VanDerWaalsContact C-N 3.28Å; D59-G61 PolarHBondContact O-N 3.03Å
62C51.2Low54.3Low134 Ų134129.9 Ų129.991%0.90571%0.708SS**SBendtrans62.770.7167-65.40000117.3E60E60-C62 PolarHBondContact O-N 2.95Å
63A36.3Very low51.9Low90 Ų90132.9 Ų132.974%0.74472%0.723SS**  trans-147.3107.5149.500000110.6V65A63-V65 PolarHBondContact O-N 3.09Å
64V50.2Low49.8Very low140 Ų140127.5 Ų127.585%0.84872%0.717SS**  trans-58.6128.8157.4163.60000107.2
65V46.4Very low48Very low100 Ų100129.1 Ų129.161%0.60673%0.734SS**  trans71138.9170.3-112.90000118.1A63A63-V65 PolarHBondContact O-N 3.09Å
66H42.7Very low46.4Very low167 Ų167130.1 Ų130.177%0.77374%0.744SS**  cis-148.4125.418.9-87.3-88.4000111.3
67L43.8Very low45.4Very low147 Ų147126.2 Ų126.277%0.7774%0.742SS**  trans-70.7150.4153.8-142.273.8000108.3E69L67-E69 PolarHBondContact O-N 2.77Å
68P45.4Very low45.1Very low115 Ų115126.2 Ų126.275%0.74775%0.75SS**  trans-58.6134.6170.8-10.225.8000107.7S70P68-S70 PolarHBondContact O-N 3.04Å
69E43Very low45.1Very low190 Ų190121.4 Ų121.489%0.88875%0.749SS**  trans-4899.5-175-83.3179.2114.400111.7L67L67-E69 PolarHBondContact O-N 2.77Å
70S50.6Low45.5Very low89 Ų89123.8 Ų123.862%0.62275%0.747SS**  trans-68.6138.2157.2-173.90000107P68 K72P68-S70 PolarHBondContact O-N 3.04Å; S70-K72 PolarHBondContact O-N 2.97Å
71P41.5Very low45.9Very low118 Ų118117.2 Ų117.277%0.76672%0.721SS**  trans-54.8129.5-178.73.9-3.8000109.4
72K37.7Very low46.3Very low191 Ų191116.7 Ų116.783%0.8371%0.71SS**  trans-33.1129.6-176.5-83.4170.4174.6160.50112.2S70 G74S70-K72 PolarHBondContact O-N 2.97Å; K72-G74 PolarHBondContact O-N 2.97Å
73P39.2Very low46.7Very low111 Ų111118.5 Ų118.572%0.72170%0.698SS**  trans-63.4112.81649.21.7000106.8T76P73-T76 VanDerWaalsContact CB-OG1 3.31Å; P73-T76 WeakPolarHBondContact CB-OG1 3.32Å
74G40.3Very low48Very low49 Ų49115.9 Ų115.951%0.50568%0.68SS.*  trans-55.3170.4149.300000109.1K72 T76K72-G74 PolarHBondContact O-N 2.97Å; G74-T76 VanDerWaalsContact C-N 3.35Å; G74-T76 WeakPolarHBondContact O-CA 3.47Å; G74-T76 PolarHBondContact O-N 2.87Å; G74-T76 PolarHBondContact O-OG1 2.8Å
75P43.3Very low49.2Very low142 Ų142114.3 Ų114.392%0.92266%0.663SS**SBendtrans-57.796.2-173.124-30.8000110.3G77P75-G77 PolarHBondContact O-N 3.04Å
76T40.7Very low50.6Low116 Ų116114 Ų11471%0.71266%0.656SS**  trans-80.796.8-166.6-58.90000108.1P73 G74P73-T76 VanDerWaalsContact CB-OG1 3.31Å; P73-T76 WeakPolarHBondContact CB-OG1 3.32Å; G74-T76 VanDerWaalsContact C-N 3.35Å; G74-T76 WeakPolarHBondContact O-CA 3.47Å; G74-T76 PolarHBondContact O-N 2.87Å; G74-T76 PolarHBondContact O-OG1 2.8Å
77G45.8Very low52.5Low59 Ų59110.2 Ų110.261%0.60864%0.641SS**  trans-55.9154.3161.600000111P75P75-G77 PolarHBondContact O-N 3.04Å
78A50.5Low54.4Low82 Ų82109.7 Ų109.768%0.67864%0.638SS**SBendtrans-40.2148.4179.500000113.2R80A78-R80 PolarHBondContact O-N 3.46Å
79P48.9Very low56.2Low130 Ų130104.6 Ų104.684%0.84461%0.607SS**  trans-48.5114.2178.416.8-28.3000109.5A81P79-A81 PolarHBondContact O-N 3.17Å
80R57Low57.8Low199 Ų199102.4 Ų102.475%0.75161%0.609SS**  trans-65.6109-177.4-75.3-178.6173.2-176-2.4107.4A78 A82A78-R80 PolarHBondContact O-N 3.46Å; R80-A82 PolarHBondContact O-N 2.87Å
81A58.8Low59.3Low28 Ų28103.1 Ų103.123%0.23161%0.605CS.*PPolyproline II helixtrans-50.6126.5167.700000108.2P79 Q85 L87 S97P79-A81 PolarHBondContact O-N 3.17Å; A81-Q85 HydrophobicContact CB-CB 4.32Å; A81-L87 HydrophobicContact CB-CD2 4.13Å; A81-L87 HydrophobicContact CB-CG 4.44Å; A81-S97 VanDerWaalsContact CB-CB 3.47Å; A81-S97 WeakPolarHBondContact CB-OG 3.37Å
82A58.9Low61Low54 Ų54100.1 Ų100.145%0.44660%0.596SS.*PPolyproline II helixtrans-61.9144.7172.100000108.5R80 G84 Q85R80-A82 PolarHBondContact O-N 2.87Å; A82-G84 PolarHBondContact O-N 3.42Å; A82-Q85 HydrophobicContact CB-CG 4.1Å; A82-Q85 VanDerWaalsContact O-CB 3.26Å; A82-Q85 WeakPolarHBondContact O-CB 3.25Å; A82-Q85 WeakPolarHBondContact O-CG 3.45Å; A82-Q85 PolarHBondContact O-N 2.97Å
83R60.3Low63.1Low171 Ų17199.8 Ų99.865%0.64559%0.59SS**THydrogen-bonded Turntrans-48.3128179.4-79-173.2178.3-166.83.4111.1E131R83-E131 WeakPolarHBondContact CA-OE2 3.23Å; R83-E131 HydrophobicContact CB-CB 4.16Å
84G63.6Low64.9Low35 Ų3599.7 Ų99.736%0.36158%0.583SS.*THydrogen-bonded Turntrans84.70.7-17800000115.7A82 E131A82-G84 PolarHBondContact O-N 3.42Å; G84-E131 VanDerWaalsContact N-CD 3.33Å; G84-E131 PolarHBondContact N-OE2 3.41Å
85Q74.3Confident66.5Low107 Ų107101.4 Ų101.450%0.558%0.58SS.*PPolyproline II helixtrans-77.1136.6169.3-70.7-178.4-27.100110.9A81 A82 S97A81-Q85 HydrophobicContact CB-CB 4.32Å; A82-Q85 HydrophobicContact CB-CG 4.1Å; A82-Q85 VanDerWaalsContact O-CB 3.26Å; A82-Q85 WeakPolarHBondContact O-CB 3.25Å; A82-Q85 WeakPolarHBondContact O-CG 3.45Å; A82-Q85 PolarHBondContact O-N 2.97Å; Q85-S97 PolarHBondContact O-OG 2.83Å
86M76.9Confident67.7Low93 Ų9399.2 Ų99.246%0.45855%0.553SS.*EExtended strand (participates in β ladder)trans-91.9137.9171.9-57.9-176.983.800109.3L94M86-L94 HydrophobicContact CB-CB 4.21Å; M86-L94 HydrophobicContact CB-CD2 4.29Å; M86-L94 HydrophobicContact CE-CB 3.44Å; M86-L94 VanDerWaalsContact CE-CB 3.44Å; M86-L94 HydrophobicContact CE-CD1 4.19Å; M86-L94 HydrophobicContact CE-CG 4.45Å; M86-L94 HydrophobicContact SD-CB 4.16Å; M86-L94 HydrophobicContact SD-CD1 3.99Å
87L81.1Confident68.8Low88 Ų8894.3 Ų94.346%0.46152%0.523SS..EExtended strand (participates in β ladder)trans-97.3142.9175.7-64.8173000109.3A81 G89 L94 I95A81-L87 HydrophobicContact CB-CD2 4.13Å; A81-L87 HydrophobicContact CB-CG 4.44Å; L87-G89 PolarHBondContact O-N 3.48Å; L87-L94 CarbonylContact O-C 3.49Å; L87-L94 WeakPolarHBondContact O-CA 3.19Å; L87-I95 PolarHBondContact N-O 3.05Å; L87-I95 PolarHBondContact O-N 3.37Å
88I83.8Confident69.3Low136 Ų13699.5 Ų99.570%0.69754%0.536SS*.EExtended strand (participates in β ladder)trans-81.2117170.9-58.7173000107.3L94I88-L94 HydrophobicContact CG1-CD2 3.83Å
89G84.3Confident69.5Low9 Ų998.2 Ų98.29%0.09353%0.531CS..PPolyproline II helixtrans-69.5162.2174.800000112.3L87 D91 G92 R93L87-G89 PolarHBondContact O-N 3.48Å; G89-D91 PolarHBondContact O-N 2.98Å; G89-D91 VanDerWaalsContact O-N 3.11Å; G89-G92 WeakPolarHBondContact O-CA 3.2Å; G89-G92 PolarHBondContact O-N 3.29Å; G89-R93 WeakPolarHBondContact CA-O 3.3Å; G89-R93 PolarHBondContact N-O 3.42Å
90P76.9Confident69.2Low143 Ų143100.1 Ų100.193%0.92953%0.529SS*.THydrogen-bonded Turntrans-62.7-17.5178.326.4-34.1000113.4
91D81.4Confident68.6Low104 Ų10494.8 Ų94.856%0.55653%0.527SS*.THydrogen-bonded Turntrans-90.75.8173.465.3-21.4000113.4G89 R93G89-D91 PolarHBondContact O-N 2.98Å; G89-D91 VanDerWaalsContact O-N 3.11Å; D91-R93 PolarHBondContact O-N 2.68Å; D91-R93 WeakPolarHBondContact OD1-CB 3.25Å; D91-R93 PolarHBondContact OD1-N 2.98Å; D91-R93 VanDerWaalsContact OD1-N 3.15Å; D91-R93 WeakPolarHBondContact OD2-CD 3.41Å; D91-R93 VanDerWaalsContact OD2-CG 3.23Å; D91-R93 WeakPolarHBondContact OD2-CG 3.29Å; D91-R93 IonicContact OD2-NE 3.66Å
92G76.4Confident67.7Low56 Ų5697 Ų9758%0.57754%0.541SS*.SBendtrans76.22.6-176.700000114.4G89G89-G92 WeakPolarHBondContact O-CA 3.2Å; G89-G92 PolarHBondContact O-N 3.29Å
93R82Confident66.9Low184 Ų184103.7 Ų103.769%0.69456%0.563SS**  trans-84.2146.9177.9-64.9-170.5175.3-138.7-4111.1G89 D91 I95G89-R93 WeakPolarHBondContact CA-O 3.3Å; G89-R93 PolarHBondContact N-O 3.42Å; D91-R93 PolarHBondContact O-N 2.68Å; D91-R93 WeakPolarHBondContact OD1-CB 3.25Å; D91-R93 PolarHBondContact OD1-N 2.98Å; D91-R93 VanDerWaalsContact OD1-N 3.15Å; D91-R93 WeakPolarHBondContact OD2-CD 3.41Å; D91-R93 VanDerWaalsContact OD2-CG 3.23Å; D91-R93 WeakPolarHBondContact OD2-CG 3.29Å; D91-R93 IonicContact OD2-NE 3.66Å; R93-I95 PolarHBondContact O-N 3.35Å
94L77.6Confident65.7Low108 Ų10899.2 Ų99.257%0.56556%0.562SS**EExtended strand (participates in β ladder)trans-77.3112.7174-64.7175.5000110.1M86 L87 I88M86-L94 HydrophobicContact CB-CB 4.21Å; M86-L94 HydrophobicContact CB-CD2 4.29Å; M86-L94 HydrophobicContact CE-CB 3.44Å; M86-L94 VanDerWaalsContact CE-CB 3.44Å; M86-L94 HydrophobicContact CE-CD1 4.19Å; M86-L94 HydrophobicContact CE-CG 4.45Å; M86-L94 HydrophobicContact SD-CB 4.16Å; M86-L94 HydrophobicContact SD-CD1 3.99Å; L87-L94 CarbonylContact O-C 3.49Å; L87-L94 WeakPolarHBondContact O-CA 3.19Å; I88-L94 HydrophobicContact CG1-CD2 3.83Å
95I73.1Confident64.4Low86 Ų86104.4 Ų104.444%0.44158%0.582SS.*EExtended strand (participates in β ladder)trans-99.5137.4177.4-49.5178000108.3L87 R93 S97L87-I95 PolarHBondContact N-O 3.05Å; L87-I95 PolarHBondContact O-N 3.37Å; R93-I95 PolarHBondContact O-N 3.35Å; I95-S97 PolarHBondContact O-N 2.9Å
96R68.8Low63.1Low96 Ų96105.1 Ų105.136%0.36260%0.596SS.*EExtended strand (participates in β ladder)trans-68.6132.2172.7-71.6-179.9-178.9-83.1-13.3109.3L98 S128 Q129R96-L98 PolarHBondContact O-N 3.22Å; R96-S128 PolarHBondContact NH1-O 3.45Å; R96-Q129 PolarHBondContact NH1-O 2.85Å
97S64.1Low61.6Low12 Ų12106.2 Ų106.28%0.08461%0.613CS.*  trans-63.9108.516772.80000107.6A81 Q85 I95 G99A81-S97 VanDerWaalsContact CB-CB 3.47Å; A81-S97 WeakPolarHBondContact CB-OG 3.37Å; Q85-S97 PolarHBondContact O-OG 2.83Å; I95-S97 PolarHBondContact O-N 2.9Å; S97-G99 PolarHBondContact O-N 2.91Å
98L56.4Low59.9Low168 Ų168104.8 Ų104.888%0.8862%0.619SS**  trans-7193.4170.2-151.883.7000104.6R96 Q100R96-L98 PolarHBondContact O-N 3.22Å; L98-Q100 PolarHBondContact O-N 2.98Å
99G53.9Low58.3Low55 Ų55105.4 Ų105.457%0.56762%0.622SS**  trans-48.5110.8-178.900000108.5S97 A101S97-G99 PolarHBondContact O-N 2.91Å; G99-A101 PolarHBondContact O-N 2.87Å
100Q44.4Very low56.9Low171 Ų171110.6 Ų110.680%0.79965%0.652SS**  trans-55.8111.7174.2-80.4-178.7-29.300106.2L98 S102L98-Q100 PolarHBondContact O-N 2.98Å; Q100-S102 PolarHBondContact O-N 3.35Å
101A43.4Very low56.3Low87 Ų87106.7 Ų106.772%0.71963%0.628SS**  trans-60.996.3158.200000104.9G99 E103G99-A101 PolarHBondContact O-N 2.87Å; A101-E103 PolarHBondContact O-N 3.46Å
102S39.4Very low56Low74 Ų74105.9 Ų105.952%0.51762%0.623SS.*  trans-63112.316265.70000105.2Q100 A104Q100-S102 PolarHBondContact O-N 3.35Å; S102-A104 PolarHBondContact O-N 2.7Å
103E42.2Very low56.5Low194 Ų194105.5 Ų105.591%0.90761%0.614SS**  trans-52.387.7155.7-71.1-72.6128.800107.1A101A101-E103 PolarHBondContact O-N 3.46Å
104A36.6Very low56.7Low77 Ų7796.8 Ų96.864%0.63658%0.581SS**  trans-125.196.717000000105.5S102S102-A104 PolarHBondContact O-N 2.7Å
105D35.2Very low57.1Low144 Ų14494.4 Ų94.477%0.7757%0.574SS**  trans42.2124.6152.3-130.46.8000119S107D105-S107 VanDerWaalsContact C-N 3.31Å; D105-S107 PolarHBondContact O-N 2.82Å
106P46.6Very low57.8Low123 Ų12392.3 Ų92.380%0.79957%0.567SS**THydrogen-bonded Turntrans-81.519.8-165.834.6-36000116.3
107S45.4Very low58.7Low116 Ų11690.1 Ų90.181%0.81157%0.566SS**THydrogen-bonded Turntrans-115.115.9-164.8-71.20000117.3D105D105-S107 VanDerWaalsContact C-N 3.31Å; D105-S107 PolarHBondContact O-N 2.82Å
108G45.7Very low59.8Low58 Ų5895.1 Ų95.160%0.59860%0.595SS**  trans-136.493.6171.800000111.5V110G108-V110 PolarHBondContact O-N 2.93Å
109I51.5Low61.2Low149 Ų14994.7 Ų94.776%0.76458%0.582SS**  trans-68.681.2165.9-56.2174.3000106.8S111I109-S111 PolarHBondContact O-N 3.25Å
110V55Low62.4Low118 Ų11895.5 Ų95.572%0.71558%0.584SS**  trans-68.3103.6164.7-178.50000104.9G108 I112G108-V110 PolarHBondContact O-N 2.93Å; V110-I112 PolarHBondContact O-N 2.92Å
111S62.8Low63.8Low60 Ų6088.1 Ų88.142%0.4255%0.55SS..  trans-56.8109174.8152.50000108.7I109 A120I109-S111 PolarHBondContact O-N 3.25Å; S111-A120 WeakPolarHBondContact OG-CB 3.44Å
112I76.1Confident64.9Low88 Ų8890.7 Ų90.745%0.45155%0.551SS.*EExtended strand (participates in β ladder)trans-85130.3174.1-62.1170.8000107.5V110 V121 A133V110-I112 PolarHBondContact O-N 2.92Å; I112-V121 WeakPolarHBondContact O-CB 3.34Å; I112-V121 PolarHBondContact O-N 2.88Å; I112-A133 HydrophobicContact CB-CB 4.49Å; I112-A133 HydrophobicContact CG2-CB 3.62Å
113A85.7Confident66Low47 Ų4789.7 Ų89.739%0.38855%0.553SS.*EExtended strand (participates in β ladder)trans-69.8140.8175.800000111.3S115A113-S115 PolarHBondContact O-N 3.5Å
114C87.8Confident67.2Low1 Ų190.4 Ų90.41%0.00755%0.553CS.*PPolyproline II helixtrans-61.3127174-179.60000108.8S116 C117 V118 R119 V121 C135 C138C114-S116 PolarHBondContact O-N 3.44Å; C114-S116 PolarHBondContact SG-N 3.47Å; C114-C117 WeakPolarHBondContact CB-SG 3.26Å; C114-C117 PolarHBondContact SG-SG 2.91Å; C114-V118 WeakPolarHBondContact O-CA 3.5Å; C114-V118 PolarHBondContact O-N 3.3Å; C114-R119 WeakPolarHBondContact CB-O 3.25Å; C114-R119 PolarHBondContact N-O 3.04Å; C114-V121 HydrophobicContact CB-CG2 3.46Å; C114-V121 VanDerWaalsContact CB-CG2 3.46Å; C114-C135 HydrophobicContact CB-CB 4.21Å; C114-C135 PolarHBondContact SG-N 3.35Å; C114-C135 VanDerWaalsContact SG-N 3.37Å; C114-C138 VanDerWaalsContact SG-SG 3.65Å
115S86.3Confident69.3Low59 Ų5988.3 Ų88.341%0.41354%0.535SS..THydrogen-bonded Turntrans-71.3-13-179.5-61.90000114.1A113 R132 A133A113-S115 PolarHBondContact O-N 3.5Å; S115-R132 WeakPolarHBondContact OG-CB 3.42Å; S115-A133 PolarHBondContact N-O 2.88Å; S115-A133 PolarHBondContact OG-O 3.11Å
116S85.9Confident71.9Confident42 Ų4284.3 Ų84.329%0.29452%0.516SS..THydrogen-bonded Turntrans-96.1-42.3175.8-68.90000113.1C114 T151C114-S116 PolarHBondContact O-N 3.44Å; C114-S116 PolarHBondContact SG-N 3.47Å; S116-T151 PolarHBondContact OG-OG1 3Å; S116-T151 VanDerWaalsContact OG-OG1 3.13Å
117C88.6Confident74Confident50 Ų5078.4 Ų78.434%0.33848%0.478SS..THydrogen-bonded Turntrans-117.50.8-174.270.70000114.6C114 R119 C138C114-C117 WeakPolarHBondContact CB-SG 3.26Å; C114-C117 PolarHBondContact SG-SG 2.91Å; C117-R119 PolarHBondContact O-N 2.79Å; C117-C138 VanDerWaalsContact SG-SG 3.69Å
118V87.4Confident76.1Confident117 Ų11775.1 Ų75.171%0.70946%0.455SS*.  trans61.9-1.3176.4-163.20000114.6C114C114-V118 WeakPolarHBondContact O-CA 3.5Å; C114-V118 PolarHBondContact O-N 3.3Å
119R85.1Confident78Confident158 Ų15873.8 Ų73.860%0.59643%0.433SS*.  trans-67.8140.7174.1-63.6178.263.5172.60.3110.4C114 C117 V121C114-R119 WeakPolarHBondContact CB-O 3.25Å; C114-R119 PolarHBondContact N-O 3.04Å; C117-R119 PolarHBondContact O-N 2.79Å; R119-V121 VanDerWaalsContact O-CG2 3.27Å; R119-V121 WeakPolarHBondContact O-CG2 3.45Å; R119-V121 PolarHBondContact O-N 2.86Å
120A79.9Confident79.8Confident73 Ų7367.6 Ų67.660%0.60340%0.403SS*.EExtended strand (participates in β ladder)trans-47133.6166.800000110.6S111S111-A120 WeakPolarHBondContact OG-CB 3.44Å
121V72.9Confident81.3Confident15 Ų1563.3 Ų63.39%0.09138%0.375CS..EExtended strand (participates in β ladder)trans-122.8121-179.9-168.30000109.7I112 C114 R119 G123 C135I112-V121 WeakPolarHBondContact O-CB 3.34Å; I112-V121 PolarHBondContact O-N 2.88Å; C114-V121 HydrophobicContact CB-CG2 3.46Å; C114-V121 VanDerWaalsContact CB-CG2 3.46Å; R119-V121 VanDerWaalsContact O-CG2 3.27Å; R119-V121 WeakPolarHBondContact O-CG2 3.45Å; R119-V121 PolarHBondContact O-N 2.86Å; V121-G123 PolarHBondContact O-N 3Å; V121-C135 HydrophobicContact CB-CB 4.47Å; V121-C135 HydrophobicContact CG1-CB 3.96Å; V121-C135 HydrophobicContact CG2-CB 3.69Å
122D66.6Low82.4Confident141 Ų14166.6 Ų66.675%0.75438%0.378SS*.  trans-86.687.4161.2-60.8-44.4000107.5
123G63.4Low83Confident53 Ų5362.8 Ų62.855%0.54636%0.36SS..SBendtrans163156.8177.100000119.2V121V121-G123 PolarHBondContact O-N 3Å
124K65.8Low83.2Confident210 Ų21060.7 Ų60.791%0.91334%0.342SS*.  trans-90.711.8-167.3-87.2176.2178-89.40115.9V126K124-V126 PolarHBondContact O-N 3.22Å
125A82.7Confident83.2Confident32 Ų3261.6 Ų61.626%0.26435%0.348SS..  trans-79.5123.6-178.200000110.7A133 L134 V139A125-A133 WeakPolarHBondContact O-CA 3.48Å; A125-L134 PolarHBondContact O-N 3.15Å; A125-V139 HydrophobicContact CB-CG2 3.49Å; A125-V139 VanDerWaalsContact CB-CG2 3.49Å
126V89.4Confident83.2Confident60 Ų6062.2 Ų62.236%0.36436%0.364SS..BIsolated β-bridgetrans-126.1134.7-177.2179.40000108.6K124 S128 E131 R132K124-V126 PolarHBondContact O-N 3.22Å; V126-S128 PolarHBondContact O-N 2.98Å; V126-E131 VanDerWaalsContact CG1-CA 3.42Å; V126-E131 HydrophobicContact CG1-CB 4.21Å; V126-E131 VanDerWaalsContact CG1-O 3.3Å; V126-E131 WeakPolarHBondContact CG1-O 3.5Å; V126-R132 WeakPolarHBondContact CA-O 3.32Å
127C90.6Very high83.2Confident0 Ų070.5 Ų70.50%039%0.389CS..  trans-62.5126.1174-1790000110.5Q129 C130 E131 R132 L134 C150C127-Q129 PolarHBondContact O-N 2.96Å; C127-Q129 VanDerWaalsContact O-N 3.12Å; C127-Q129 PolarHBondContact SG-N 3.42Å; C127-Q129 VanDerWaalsContact SG-N 3.45Å; C127-C130 VanDerWaalsContact SG-SG 3.65Å; C127-E131 WeakPolarHBondContact O-CA 3.16Å; C127-E131 PolarHBondContact O-N 2.93Å; C127-R132 PolarHBondContact N-O 3.35Å; C127-L134 HydrophobicContact CB-CD1 4.17Å; C127-C150 HydrophobicContact CB-CB 4.06Å; C127-C150 PolarHBondContact SG-N 2.93Å
128S88.8Confident83.2Confident46 Ų4668.8 Ų68.832%0.32238%0.378SS..THydrogen-bonded Turntrans-61-21.6177.662.90000113.4R96 V126 S147 V148R96-S128 PolarHBondContact NH1-O 3.45Å; V126-S128 PolarHBondContact O-N 2.98Å; S128-S147 PolarHBondContact OG-OG 2.76Å; S128-V148 PolarHBondContact N-O 3.04Å; S128-V148 PolarHBondContact OG-O 3.13Å
129Q86.7Confident83.3Confident30 Ų3065.2 Ų65.214%0.1436%0.356CS..THydrogen-bonded Turntrans-95.3-49.4-174.4-65.5-68.9-3.800113.3R96 C127 C153 C167 S169R96-Q129 PolarHBondContact NH1-O 2.85Å; C127-Q129 PolarHBondContact O-N 2.96Å; C127-Q129 VanDerWaalsContact O-N 3.12Å; C127-Q129 PolarHBondContact SG-N 3.42Å; C127-Q129 VanDerWaalsContact SG-N 3.45Å; Q129-C153 HydrophobicContact CB-CB 3.65Å; Q129-C153 HydrophobicContact CG-CB 4.01Å; Q129-C167 HydrophobicContact CG-CB 4.49Å; Q129-S169 PolarHBondContact NE2-OG 3.21Å
130C87.7Confident83.7Confident19 Ų1961.8 Ų61.813%0.12834%0.343CS..THydrogen-bonded Turntrans-113.42.5-175.666.80000114.4C127 R132 C150 C153C127-C130 VanDerWaalsContact SG-SG 3.65Å; C130-R132 HydrophobicContact CB-CG 4.47Å; C130-R132 PolarHBondContact O-N 2.75Å; C130-C150 VanDerWaalsContact SG-SG 3.66Å; C130-C153 VanDerWaalsContact SG-SG 3.63Å
131E87.7Confident84.3Confident29 Ų2962.4 Ų62.414%0.13634%0.34CS..  trans59.116.7174.6-63.1166.7-15100115.4R83 G84 V126 C127R83-E131 WeakPolarHBondContact CA-OE2 3.23Å; R83-E131 HydrophobicContact CB-CB 4.16Å; G84-E131 VanDerWaalsContact N-CD 3.33Å; G84-E131 PolarHBondContact N-OE2 3.41Å; V126-E131 VanDerWaalsContact CG1-CA 3.42Å; V126-E131 HydrophobicContact CG1-CB 4.21Å; V126-E131 VanDerWaalsContact CG1-O 3.3Å; V126-E131 WeakPolarHBondContact CG1-O 3.5Å; C127-E131 WeakPolarHBondContact O-CA 3.16Å; C127-E131 PolarHBondContact O-N 2.93Å
132R86.4Confident85.3Confident128 Ų12861.8 Ų61.848%0.48334%0.336SS..  trans-81141.3177.1-73.3-168.8-172.7100.5-1.6111.4S115 V126 C127 C130S115-R132 WeakPolarHBondContact OG-CB 3.42Å; V126-R132 WeakPolarHBondContact CA-O 3.32Å; C127-R132 PolarHBondContact N-O 3.35Å; C130-R132 HydrophobicContact CB-CG 4.47Å; C130-R132 PolarHBondContact O-N 2.75Å
133A88.1Confident86.5Confident9 Ų963 Ų637%0.07433%0.33CS..BIsolated β-bridgetrans-73140178.500000111.5I112 S115 A125I112-A133 HydrophobicContact CB-CB 4.49Å; I112-A133 HydrophobicContact CG2-CB 3.62Å; S115-A133 PolarHBondContact N-O 2.88Å; S115-A133 PolarHBondContact OG-O 3.11Å; A125-A133 WeakPolarHBondContact O-CA 3.48Å
134L88.9Confident87.7Confident2 Ų263 Ų631%0.0133%0.329CS..  trans-131.8143.1-176.5-59.5172.2000111A125 C127 C138 V139 V148 C150A125-L134 PolarHBondContact O-N 3.15Å; C127-L134 HydrophobicContact CB-CD1 4.17Å; L134-C138 HydrophobicContact CB-CB 4.45Å; L134-C138 HydrophobicContact CD2-CB 4.24Å; L134-V139 HydrophobicContact CB-CG2 3.84Å; L134-V139 HydrophobicContact CD1-CG2 4.31Å; L134-V148 HydrophobicContact CD1-CG1 4.16Å; L134-C150 HydrophobicContact CD1-CB 3.69Å; L134-C150 HydrophobicContact CD2-CB 3.61Å; L134-C150 HydrophobicContact CG-CB 4.21Å
135C89.3Confident89Confident20 Ų2056.4 Ų56.414%0.13531%0.309CS..  trans-77.6160.216574.20000110.7C114 V121 R137 C138 V139C114-C135 HydrophobicContact CB-CB 4.21Å; C114-C135 PolarHBondContact SG-N 3.35Å; C114-C135 VanDerWaalsContact SG-N 3.37Å; V121-C135 HydrophobicContact CB-CB 4.47Å; V121-C135 HydrophobicContact CG1-CB 3.96Å; V121-C135 HydrophobicContact CG2-CB 3.69Å; C135-R137 PolarHBondContact O-N 2.92Å; C135-C138 PolarHBondContact O-N 2.93Å; C135-V139 WeakPolarHBondContact O-CG2 3.37Å; C135-V139 PolarHBondContact O-N 3.48Å; C135-V139 VanDerWaalsContact O-N 3.14Å
136G85.2Confident89.4Confident73 Ų7357.1 Ų57.175%0.75332%0.32SS*.THydrogen-bonded Turntrans-55.8-24.6-179.200000114.8
137R86.9Confident89.5Confident215 Ų21555.7 Ų55.781%0.81131%0.312SS*.THydrogen-bonded Turntrans-79.1-21.2174.9-62.9-174.8-177.1-169.5-0.7114C135C135-R137 PolarHBondContact O-N 2.92Å
138C88.8Confident89.6Confident15 Ų1557.8 Ų57.810%0.10133%0.325CS..THydrogen-bonded Turntrans-102.5-5.6-178.6-65.20000112.8C114 C117 L134 C135C114-C138 VanDerWaalsContact SG-SG 3.65Å; C117-C138 VanDerWaalsContact SG-SG 3.69Å; L134-C138 HydrophobicContact CB-CB 4.45Å; L134-C138 HydrophobicContact CD2-CB 4.24Å; C135-C138 PolarHBondContact O-N 2.93Å
139V89.5Confident89.8Confident41 Ų4155.6 Ų55.625%0.24831%0.31CS..  trans-72.3129.2170.7169.20000108.9A125 L134 C135 V148A125-V139 HydrophobicContact CB-CG2 3.49Å; A125-V139 VanDerWaalsContact CB-CG2 3.49Å; L134-V139 HydrophobicContact CB-CG2 3.84Å; L134-V139 HydrophobicContact CD1-CG2 4.31Å; C135-V139 WeakPolarHBondContact O-CG2 3.37Å; C135-V139 PolarHBondContact O-N 3.48Å; C135-V139 VanDerWaalsContact O-N 3.14Å; V139-V148 HydrophobicContact CG1-CG1 3.9Å; V139-V148 HydrophobicContact CG1-CG2 4.15Å; V139-V148 HydrophobicContact CG2-CG1 4.29Å
140R91.4Very high90Very high87 Ų8754.3 Ų54.333%0.32830%0.304SS..EExtended strand (participates in β ladder)trans-119.1151165.6-57.6179.5176.4-107.22.2108.8V148 A149 V156 V165R140-V148 CarbonylContact O-C 3.52Å; R140-V148 WeakPolarHBondContact O-CA 3.31Å; R140-A149 WeakPolarHBondContact CB-O 3.41Å; R140-A149 PolarHBondContact N-O 3.43Å; R140-A149 PolarHBondContact O-N 3.46Å; R140-V156 VanDerWaalsContact NH1-CG2 3.34Å; R140-V165 HydrophobicContact CB-CB 4.47Å; R140-V165 HydrophobicContact CB-CG1 3.89Å; R140-V165 HydrophobicContact CB-CG2 4.36Å
141T93.3Very high90Very high86 Ų8656.4 Ų56.453%0.52832%0.316SS..EExtended strand (participates in β ladder)trans-109.3126.3177.4-55.10000108.8W143 G146T141-W143 PolarHBondContact O-N 3.21Å; T141-G146 WeakPolarHBondContact CG2-O 3.29Å
142C93.1Very high90Very high1 Ų161.5 Ų61.51%0.00734%0.344CS..  trans-63.7127.6173-178.90000109.8G144 G146 S147 V165 C167C142-G144 PolarHBondContact SG-N 2.97Å; C142-G146 WeakPolarHBondContact O-CA 3.37Å; C142-G146 PolarHBondContact O-N 3.05Å; C142-S147 WeakPolarHBondContact CB-O 3.34Å; C142-S147 PolarHBondContact N-O 3.38Å; C142-V165 CarbonylContact C-O 3.49Å; C142-V165 WeakPolarHBondContact CA-O 3.43Å; C142-C167 HydrophobicContact CB-CB 4.05Å; C142-C167 PolarHBondContact SG-N 3.48Å
143W92.1Very high90.2Very high168 Ų16856.2 Ų56.264%0.63633%0.326SS*.THydrogen-bonded Turntrans-62.6-41.9175.5-177.1-95.9000111.9T141 K164 V165 L166T141-W143 PolarHBondContact O-N 3.21Å; W143-K164 HydrophobicContact CG-CD 4.49Å; W143-V165 PolarHBondContact N-O 3.34Å; W143-L166 HydrophobicContact CB-CD2 4.24Å
144G89.8Confident90.3Very high52 Ų5256.3 Ų56.354%0.53633%0.328SS..THydrogen-bonded Turntrans-73.7-38.9-176.100000114.9C142C142-G144 PolarHBondContact SG-N 2.97Å
145C92.1Very high90.3Very high71 Ų7161.1 Ų61.148%0.4835%0.353SS..THydrogen-bonded Turntrans-124.91.7-173.369.20000115.1S147 C167C145-S147 PolarHBondContact O-N 3.25Å; C145-S147 PolarHBondContact SG-OG 2.94Å; C145-C167 VanDerWaalsContact SG-SG 3.67Å
146G91.4Very high90.3Very high48 Ų4862.5 Ų62.550%0.49536%0.361SS..  trans67.2-0.2-179.700000115.1T141 C142T141-G146 WeakPolarHBondContact CG2-O 3.29Å; C142-G146 WeakPolarHBondContact O-CA 3.37Å; C142-G146 PolarHBondContact O-N 3.05Å
147S92.3Very high90.3Very high30 Ų3060.9 Ų60.921%0.2134%0.335CS..  trans-73.5148.4-176.576.70000112.6S128 C142 C145 A149S128-S147 PolarHBondContact OG-OG 2.76Å; C142-S147 WeakPolarHBondContact CB-O 3.34Å; C142-S147 PolarHBondContact N-O 3.38Å; C145-S147 PolarHBondContact O-N 3.25Å; C145-S147 PolarHBondContact SG-OG 2.94Å; S147-A149 PolarHBondContact O-N 3.4Å
148V92.3Very high90Very high43 Ų4354.9 Ų54.926%0.26133%0.325SS..EExtended strand (participates in β ladder)trans-72.3122.1176.5170.60000110.6S128 L134 V139 R140S128-V148 PolarHBondContact N-O 3.04Å; S128-V148 PolarHBondContact OG-O 3.13Å; L134-V148 HydrophobicContact CD1-CG1 4.16Å; V139-V148 HydrophobicContact CG1-CG1 3.9Å; V139-V148 HydrophobicContact CG1-CG2 4.15Å; V139-V148 HydrophobicContact CG2-CG1 4.29Å; R140-V148 CarbonylContact O-C 3.52Å; R140-V148 WeakPolarHBondContact O-CA 3.31Å
149A92.9Very high89.4Confident0 Ų058.4 Ų58.40%035%0.35CS..EExtended strand (participates in β ladder)trans-116142.4174.500000110.8R140 S147R140-A149 WeakPolarHBondContact CB-O 3.41Å; R140-A149 PolarHBondContact N-O 3.43Å; R140-A149 PolarHBondContact O-N 3.46Å; S147-A149 PolarHBondContact O-N 3.4Å
150C91.1Very high88.4Confident4 Ų460.1 Ų60.13%0.02736%0.358CS..  trans-78.1170.2165.671.50000110.2C127 C130 L134 L152 C153 G154C127-C150 HydrophobicContact CB-CB 4.06Å; C127-C150 PolarHBondContact SG-N 2.93Å; C130-C150 VanDerWaalsContact SG-SG 3.66Å; L134-C150 HydrophobicContact CD1-CB 3.69Å; L134-C150 HydrophobicContact CD2-CB 3.61Å; L134-C150 HydrophobicContact CG-CB 4.21Å; C150-L152 PolarHBondContact O-N 3.41Å; C150-L152 VanDerWaalsContact O-N 3.1Å; C150-L152 PolarHBondContact SG-N 3.01Å; C150-L152 VanDerWaalsContact SG-N 3.43Å; C150-C153 PolarHBondContact O-N 2.91Å; C150-C153 VanDerWaalsContact O-N 3.09Å; C150-C153 PolarHBondContact SG-N 2.67Å; C150-G154 PolarHBondContact O-N 3.31Å
151T87.4Confident87.3Confident62 Ų6265.4 Ų65.438%0.3839%0.389SS..THydrogen-bonded Turntrans-57.1-23.7175.251.60000114.5S116S116-T151 PolarHBondContact OG-OG1 3Å; S116-T151 VanDerWaalsContact OG-OG1 3.13Å
152L88Confident86.4Confident136 Ų13667 Ų6771%0.71239%0.386SS*.THydrogen-bonded Turntrans-90.1-24.7178.7-61175000113.1C150C150-L152 PolarHBondContact O-N 3.41Å; C150-L152 VanDerWaalsContact O-N 3.1Å; C150-L152 PolarHBondContact SG-N 3.01Å; C150-L152 VanDerWaalsContact SG-N 3.43Å
153C90.9Very high85.9Confident17 Ų1774.3 Ų74.312%0.11542%0.42CS..THydrogen-bonded Turntrans-104.8-3.5-177.7-63.30000112.9Q129 C130 C150 C167 T168Q129-C153 HydrophobicContact CB-CB 3.65Å; Q129-C153 HydrophobicContact CG-CB 4.01Å; C130-C153 VanDerWaalsContact SG-SG 3.63Å; C150-C153 PolarHBondContact O-N 2.91Å; C150-C153 VanDerWaalsContact O-N 3.09Å; C150-C153 PolarHBondContact SG-N 2.67Å; C153-C167 WeakPolarHBondContact O-CA 3.49Å; C153-T168 PolarHBondContact O-N 2.89Å; C153-T168 VanDerWaalsContact O-N 3.14Å
154G89.8Confident85.7Confident12 Ų1267.7 Ų67.712%0.12440%0.395CS..EExtended strand (participates in β ladder)trans-108.9126.5173.300000110.2C150 L166C150-G154 PolarHBondContact O-N 3.31Å; G154-L166 CarbonylContact C-O 3.54Å; G154-L166 VanDerWaalsContact CA-O 3.29Å; G154-L166 WeakPolarHBondContact CA-O 3.49Å
155L89.5Confident85.8Confident102 Ų10266.3 Ų66.353%0.53438%0.377SS..EExtended strand (participates in β ladder)trans-88.9131.3168.9-174.166.1000108.5V165 L166 A171L155-V165 CarbonylContact O-C 3.55Å; L155-V165 WeakPolarHBondContact O-CA 3.44Å; L155-L166 PolarHBondContact N-O 2.96Å; L155-L166 PolarHBondContact O-N 3.45Å; L155-A171 HydrophobicContact CD2-CB 4.02Å
156V89Confident85.9Confident49 Ų4963.1 Ų63.130%0.29736%0.355SS..EExtended strand (participates in β ladder)trans-89.2118.3170.3-175.70000107.1R140 E163 K164 V165R140-V156 VanDerWaalsContact NH1-CG2 3.34Å; V156-E163 HydrophobicContact CG1-CB 4.26Å; V156-K164 CarbonylContact C-O 3.53Å; V156-K164 WeakPolarHBondContact CA-O 3.45Å; V156-V165 HydrophobicContact CG2-CG2 4.38Å
157D85.2Confident85.9Confident40 Ų4060.9 Ų60.921%0.21433%0.332CS..EExtended strand (participates in β ladder)trans-92.2123.9168.7-176.519.6000109.5S159 K164 L166D157-S159 VanDerWaalsContact CG-OG 3.24Å; D157-S159 WeakPolarHBondContact OD1-CB 3.19Å; D157-S159 PolarHBondContact OD1-N 3.22Å; D157-S159 PolarHBondContact OD1-OG 3.47Å; D157-S159 VanDerWaalsContact OD1-OG 3.05Å; D157-S159 PolarHBondContact OD2-OG 3.22Å; D157-K164 HydrophobicContact CB-CB 4.49Å; D157-K164 PolarHBondContact N-O 3.14Å; D157-K164 PolarHBondContact O-N 3.35Å; D157-L166 HydrophobicContact CB-CD1 4.47Å
158C80.3Confident85.6Confident88 Ų8862.7 Ų62.760%0.59534%0.342SS*.  trans-110.613.6179.3-56.20000112D160C158-D160 VanDerWaalsContact C-N 3.3Å; C158-D160 PolarHBondContact O-N 3.43Å
159S75.2Confident85.4Confident89 Ų8963.3 Ų63.362%0.62235%0.348SS*.SBendtrans-68.4-28.7-177.769.30000113.3D157D157-S159 VanDerWaalsContact CG-OG 3.24Å; D157-S159 WeakPolarHBondContact OD1-CB 3.19Å; D157-S159 PolarHBondContact OD1-N 3.22Å; D157-S159 PolarHBondContact OD1-OG 3.47Å; D157-S159 VanDerWaalsContact OD1-OG 3.05Å; D157-S159 PolarHBondContact OD2-OG 3.22Å
160D69.7Low85.2Confident77 Ų7764.4 Ų64.441%0.41236%0.355SS..SBendtrans-98.8168.9-179.6-87.8-31.4000113C158 Y162 K164C158-D160 VanDerWaalsContact C-N 3.3Å; C158-D160 PolarHBondContact O-N 3.43Å; D160-Y162 HydrophobicContact CB-CD1 4.32Å; D160-Y162 HydrophobicContact CB-CE1 4.19Å; D160-Y162 PolarHBondContact O-N 2.87Å; D160-K164 WeakPolarHBondContact OD2-CE 3.42Å; D160-K164 IonicContact OD2-NZ 2.63Å; D160-K164 PolarHBondContact OD2-NZ 3.19Å
161M68.7Low85Confident198 Ų19865.4 Ų65.498%0.97536%0.363SS*.SBendtrans-57.8-7.2173.6-72.3-74.8152.400114.5
162Y73.6Confident84.9Confident120 Ų12069.3 Ų69.347%0.47138%0.379SS..SBendtrans-139.2135.6-179.849.5-77.3000110.6D160 K164D160-Y162 HydrophobicContact CB-CD1 4.32Å; D160-Y162 HydrophobicContact CB-CE1 4.19Å; D160-Y162 PolarHBondContact O-N 2.87Å; Y162-K164 HydrophobicContact CD2-CD 4.43Å; Y162-K164 HydrophobicContact CD2-CG 3.88Å; Y162-K164 HydrophobicContact CE2-CD 4.02Å; Y162-K164 HydrophobicContact CE2-CG 3.93Å; Y162-K164 PolarHBondContact O-N 3Å; Y162-K164 VanDerWaalsContact OH-CE 3.25Å; Y162-K164 WeakPolarHBondContact OH-CE 3.3Å; Y162-K164 PolarHBondContact OH-NZ 2.76Å; Y162-K164 VanDerWaalsContact OH-NZ 3.13Å
163E82.4Confident84.4Confident154 Ų15471.1 Ų71.172%0.7238%0.382SS*.  trans-64.8119.3176.9-65.8-178-178.800110.2V156V156-E163 HydrophobicContact CG1-CB 4.26Å
164K89Confident83.3Confident29 Ų2975.2 Ų75.213%0.12640%0.399CS..EExtended strand (participates in β ladder)trans-106.4147.5174-68172.8-179.1169.20109.8W143 V156 D157 D160 Y162W143-K164 HydrophobicContact CG-CD 4.49Å; V156-K164 CarbonylContact C-O 3.53Å; V156-K164 WeakPolarHBondContact CA-O 3.45Å; D157-K164 HydrophobicContact CB-CB 4.49Å; D157-K164 PolarHBondContact N-O 3.14Å; D157-K164 PolarHBondContact O-N 3.35Å; D160-K164 WeakPolarHBondContact OD2-CE 3.42Å; D160-K164 IonicContact OD2-NZ 2.63Å; D160-K164 PolarHBondContact OD2-NZ 3.19Å; Y162-K164 HydrophobicContact CD2-CD 4.43Å; Y162-K164 HydrophobicContact CD2-CG 3.88Å; Y162-K164 HydrophobicContact CE2-CD 4.02Å; Y162-K164 HydrophobicContact CE2-CG 3.93Å; Y162-K164 PolarHBondContact O-N 3Å; Y162-K164 VanDerWaalsContact OH-CE 3.25Å; Y162-K164 WeakPolarHBondContact OH-CE 3.3Å; Y162-K164 PolarHBondContact OH-NZ 2.76Å; Y162-K164 VanDerWaalsContact OH-NZ 3.13Å
165V91.6Very high81.6Confident23 Ų2383.6 Ų83.614%0.13945%0.448CS..EExtended strand (participates in β ladder)trans-111.3130.5171.5-178.30000109.3R140 C142 W143 L155 V156R140-V165 HydrophobicContact CB-CB 4.47Å; R140-V165 HydrophobicContact CB-CG1 3.89Å; R140-V165 HydrophobicContact CB-CG2 4.36Å; C142-V165 CarbonylContact C-O 3.49Å; C142-V165 WeakPolarHBondContact CA-O 3.43Å; W143-V165 PolarHBondContact N-O 3.34Å; L155-V165 CarbonylContact O-C 3.55Å; L155-V165 WeakPolarHBondContact O-CA 3.44Å; V156-V165 HydrophobicContact CG2-CG2 4.38Å
166L92.8Very high81.2Confident4 Ų482.7 Ų82.72%0.02144%0.444CS..EExtended strand (participates in β ladder)trans-118.3137.3174.7-60.8166.1000109.3W143 G154 L155 D157 C170 A171 E174W143-L166 HydrophobicContact CB-CD2 4.24Å; G154-L166 CarbonylContact C-O 3.54Å; G154-L166 VanDerWaalsContact CA-O 3.29Å; G154-L166 WeakPolarHBondContact CA-O 3.49Å; L155-L166 PolarHBondContact N-O 2.96Å; L155-L166 PolarHBondContact O-N 3.45Å; D157-L166 HydrophobicContact CB-CD1 4.47Å; L166-C170 HydrophobicContact CB-CB 4.48Å; L166-C170 HydrophobicContact CD2-CB 4.31Å; L166-A171 HydrophobicContact CB-CB 4.09Å; L166-A171 HydrophobicContact CD1-CB 4.46Å; L166-E174 HydrophobicContact CD1-CG 4.46Å; L166-E174 WeakPolarHBondContact CD1-OE2 3.5Å; L166-E174 WeakPolarHBondContact CD2-OE1 3.5Å
167C92.3Very high80.8Confident2 Ų284.5 Ų84.51%0.01445%0.452CS..EExtended strand (participates in β ladder)trans-69.5157.6167.474.20000109.6Q129 C142 C145 C153 S169 C170 A171Q129-C167 HydrophobicContact CG-CB 4.49Å; C142-C167 HydrophobicContact CB-CB 4.05Å; C142-C167 PolarHBondContact SG-N 3.48Å; C145-C167 VanDerWaalsContact SG-SG 3.67Å; C153-C167 WeakPolarHBondContact O-CA 3.49Å; C167-S169 PolarHBondContact O-N 3.4Å; C167-C170 PolarHBondContact O-N 3.06Å; C167-C170 PolarHBondContact SG-N 3.04Å; C167-C170 VanDerWaalsContact SG-N 3.44Å; C167-C170 VanDerWaalsContact SG-SG 3.64Å; C167-A171 PolarHBondContact O-N 3.46Å
168T86.9Confident80.6Confident68 Ų6886.9 Ų86.942%0.41747%0.465SS..Hα-helixtrans-49.6-34177.9480000113.5C153 M172C153-T168 PolarHBondContact O-N 2.89Å; C153-T168 VanDerWaalsContact O-N 3.14Å; T168-M172 VanDerWaalsContact O-CG 3.25Å; T168-M172 WeakPolarHBondContact O-CG 3.44Å
169S86.3Confident80.6Confident56 Ų5686.9 Ų86.939%0.39246%0.457SS..Hα-helixtrans-71.2-45.9176.6-530000112.9Q129 C167 M172 F173Q129-S169 PolarHBondContact NE2-OG 3.21Å; C167-S169 PolarHBondContact O-N 3.4Å; S169-M172 PolarHBondContact O-N 3.22Å; S169-F173 WeakPolarHBondContact O-CD2 3.49Å; S169-F173 VanDerWaalsContact O-CE2 3.27Å; S169-F173 WeakPolarHBondContact O-CE2 3.31Å
170C89.3Confident80.9Confident23 Ų2386.8 Ų86.816%0.15545%0.447CS..Hα-helixtrans-69.9-35.6179.6-69.10000112.2L166 C167 M172 F173L166-C170 HydrophobicContact CB-CB 4.48Å; L166-C170 HydrophobicContact CD2-CB 4.31Å; C167-C170 PolarHBondContact O-N 3.06Å; C167-C170 PolarHBondContact SG-N 3.04Å; C167-C170 VanDerWaalsContact SG-N 3.44Å; C167-C170 VanDerWaalsContact SG-SG 3.64Å; C170-M172 PolarHBondContact O-N 3.21Å; C170-F173 PolarHBondContact O-N 3.26Å
171A87.7Confident81.7Confident24 Ų2487.4 Ų87.420%0.19845%0.449CS..Hα-helixtrans-60.5-27.317700000112.9L155 L166 C167 F173L155-A171 HydrophobicContact CD2-CB 4.02Å; L166-A171 HydrophobicContact CB-CB 4.09Å; L166-A171 HydrophobicContact CD1-CB 4.46Å; C167-A171 PolarHBondContact O-N 3.46Å; A171-F173 PolarHBondContact O-N 3.43Å
172M84.4Confident82.6Confident144 Ų14479.5 Ų79.571%0.70941%0.412SS*.THydrogen-bonded Turntrans-72.8-13.8177.5-66.3-67.1-64.500113.7T168 S169 C170T168-M172 VanDerWaalsContact O-CG 3.25Å; T168-M172 WeakPolarHBondContact O-CG 3.44Å; S169-M172 PolarHBondContact O-N 3.22Å; C170-M172 PolarHBondContact O-N 3.21Å
173F78Confident83.3Confident175 Ų17576.4 Ų76.477%0.76841%0.407SS*.THydrogen-bonded Turntrans-106.5-0.8-177.8-62.1-75.8000113.6S169 C170 A171S169-F173 WeakPolarHBondContact O-CD2 3.49Å; S169-F173 VanDerWaalsContact O-CE2 3.27Å; S169-F173 WeakPolarHBondContact O-CE2 3.31Å; C170-F173 PolarHBondContact O-N 3.26Å; A171-F173 PolarHBondContact O-N 3.43Å
174E68.1Low83.4Confident103 Ų10369.9 Ų69.948%0.48138%0.381SS..  trans-99.323.3178.6-73-167.9-177.500113.3L166L166-E174 HydrophobicContact CD1-CG 4.46Å; L166-E174 WeakPolarHBondContact CD1-OE2 3.5Å; L166-E174 WeakPolarHBondContact CD2-OE1 3.5Å
175T54.2Low82.9Confident188 Ų18873.6 Ų73.6100%1.15340%0.404SS*.  trans-73.80172.855.50000113.1

Retrieved 175 of 175 residues in 392.9 ms (Link to these results)