A0A087Y4M3_POEFO Loading...

Cugbp, Elav-like family member 2

AlphaFold DB , UniProt , Accession A0A087Y4M3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 467 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
1S48.9Very low75.3Confident158 Ų158114.3 Ų114.3100%1.10567%0.671SS**  0131.10-43.30000108G3S1-G3 PolarHBondContact O-N 3.24Å
2P49.3Very low76Confident53 Ų53122.3 Ų122.334%0.34468%0.682SS.*  trans-65.8136.5169.34.215.2000104.6C4 Y467P2-C4 PolarHBondContact O-N 3.37Å; P2-Y467 WeakPolarHBondContact CD-O 3.4Å; P2-Y467 WeakPolarHBondContact CD-OXT 3.46Å; P2-Y467 HydrophobicContact CG-CD1 4.46Å; P2-Y467 WeakPolarHBondContact CG-O 3.32Å; P2-Y467 WeakPolarHBondContact CG-OXT 3.41Å
3G67.9Low77Confident77 Ų77123.9 Ų123.979%0.79468%0.677SS**SBendtrans-68.340.3-175.600000114.7S1S1-G3 PolarHBondContact O-N 3.24Å
4C74.6Confident77.9Confident95 Ų95117.4 Ų117.464%0.64265%0.648SS**  trans-123.6132.7-175.6-59.80000110.1P2P2-C4 PolarHBondContact O-N 3.37Å
5C77.4Confident78.5Confident111 Ų111111.7 Ų111.775%0.7562%0.622SS**  trans-139.7148.2176.4-178.10000109
6F83.2Confident79.1Confident158 Ų158109.6 Ų109.669%0.69361%0.609SS**  trans-96.8129.5173.1-66-82.3000109.6A40F6-A40 HydrophobicContact CD1-CB 4.27Å
7V81.9Confident79.7Confident92 Ų92109.6 Ų109.656%0.55860%0.603SS**  trans-121.5122.2179.1-175.30000108.6F9V7-F9 HydrophobicContact CB-CE2 4.09Å; V7-F9 HydrophobicContact CG1-CD2 4.13Å; V7-F9 HydrophobicContact CG1-CE1 4.5Å; V7-F9 HydrophobicContact CG1-CE2 3.56Å; V7-F9 HydrophobicContact CG1-CZ 3.76Å
8T83.6Confident80.1Confident140 Ų140104.4 Ų104.486%0.85958%0.577SS**  trans-99.9125.3175.9-53.70000109.1
9F84.2Confident80.5Confident76 Ų76101.1 Ų101.133%0.33356%0.557SS.*  trans-101.9148.5176.6-69.5-92.4000110.7V7 T11 A14 A15 A18 M37V7-F9 HydrophobicContact CB-CE2 4.09Å; V7-F9 HydrophobicContact CG1-CD2 4.13Å; V7-F9 HydrophobicContact CG1-CE1 4.5Å; V7-F9 HydrophobicContact CG1-CE2 3.56Å; V7-F9 HydrophobicContact CG1-CZ 3.76Å; F9-T11 VanDerWaalsContact C-N 3.27Å; F9-T11 PolarHBondContact O-N 3.41Å; F9-A14 HydrophobicContact CD1-CB 4.24Å; F9-A15 HydrophobicContact CB-CB 3.93Å; F9-A15 HydrophobicContact CD2-CB 3.66Å; F9-A15 HydrophobicContact CE2-CB 4.42Å; F9-A15 HydrophobicContact CG-CB 3.91Å; F9-A18 HydrophobicContact CE1-CB 3.58Å; F9-A18 HydrophobicContact CE2-CB 4.14Å; F9-A18 HydrophobicContact CZ-CB 3.34Å; F9-M37 HydrophobicContact CE2-CE 4.19Å; F9-M37 HydrophobicContact CZ-CE 4.26Å
10Y88.3Confident80.9Confident233 Ų233102.2 Ų102.291%0.91456%0.562SS**SBendtrans-64.8-29.6178.2-174.8-106.6000113
11T89.4Confident81.2Confident64 Ų64100.1 Ų100.139%0.39356%0.558SS.*SBendtrans-131.6149.3175.3690000111.6F9 K13 A14 A15F9-T11 VanDerWaalsContact C-N 3.27Å; F9-T11 PolarHBondContact O-N 3.41Å; T11-K13 VanDerWaalsContact C-N 3.25Å; T11-K13 PolarHBondContact O-N 3.39Å; T11-A14 PolarHBondContact O-N 2.94Å; T11-A14 VanDerWaalsContact OG1-CB 3.27Å; T11-A14 WeakPolarHBondContact OG1-CB 3.46Å; T11-A14 PolarHBondContact OG1-N 3.37Å; T11-A14 VanDerWaalsContact OG1-N 3.16Å; T11-A15 PolarHBondContact O-N 2.87Å; T11-A15 VanDerWaalsContact O-N 3.14Å
12R83.1Confident82.9Confident211 Ų21195.1 Ų95.180%0.79652%0.519SS*.Hα-helixtrans-60.8-36.1173.9-176.4177.2-178.6178.80.8112.1A15 L16R12-A15 WeakPolarHBondContact O-CB 3.31Å; R12-A15 PolarHBondContact O-N 3.43Å; R12-L16 HydrophobicContact CG-CD1 4.32Å; R12-L16 WeakPolarHBondContact O-CG 3.22Å; R12-L16 PolarHBondContact O-N 3.42Å; R12-L16 VanDerWaalsContact O-N 3.1Å
13K88.8Confident84.6Confident143 Ų14396 Ų9662%0.62252%0.518SS*.Hα-helixtrans-61.1-48.6177.3-172.5-175.6170.4179.40110.7T11 A15 L16 E17T11-K13 VanDerWaalsContact C-N 3.25Å; T11-K13 PolarHBondContact O-N 3.39Å; K13-A15 VanDerWaalsContact C-N 3.29Å; K13-A15 PolarHBondContact O-N 3.28Å; K13-L16 PolarHBondContact O-N 3.49Å; K13-L16 VanDerWaalsContact O-N 3.17Å; K13-E17 WeakPolarHBondContact O-CG 3.25Å; K13-E17 PolarHBondContact O-N 2.8Å
14A89.9Confident85.3Confident33 Ų3397.3 Ų97.327%0.27351%0.507SS..Hα-helixtrans-61.8-36.4176.800000112.6F9 T11 A18F9-A14 HydrophobicContact CD1-CB 4.24Å; T11-A14 PolarHBondContact O-N 2.94Å; T11-A14 VanDerWaalsContact OG1-CB 3.27Å; T11-A14 WeakPolarHBondContact OG1-CB 3.46Å; T11-A14 PolarHBondContact OG1-N 3.37Å; T11-A14 VanDerWaalsContact OG1-N 3.16Å; A14-A18 VanDerWaalsContact O-CB 3.27Å; A14-A18 WeakPolarHBondContact O-CB 3.12Å; A14-A18 PolarHBondContact O-N 3.21Å
15A87.1Confident85.6Confident31 Ų3198.4 Ų98.426%0.25651%0.505SS..Hα-helixtrans-63.3-41.9175.400000112.6F9 T11 R12 K13 Q19F9-A15 HydrophobicContact CB-CB 3.93Å; F9-A15 HydrophobicContact CD2-CB 3.66Å; F9-A15 HydrophobicContact CE2-CB 4.42Å; F9-A15 HydrophobicContact CG-CB 3.91Å; T11-A15 PolarHBondContact O-N 2.87Å; T11-A15 VanDerWaalsContact O-N 3.14Å; R12-A15 WeakPolarHBondContact O-CB 3.31Å; R12-A15 PolarHBondContact O-N 3.43Å; K13-A15 VanDerWaalsContact C-N 3.29Å; K13-A15 PolarHBondContact O-N 3.28Å; A15-Q19 WeakPolarHBondContact O-CB 3.39Å; A15-Q19 PolarHBondContact O-N 2.83Å
16L87.4Confident85.6Confident78 Ų7898.7 Ų98.741%0.40849%0.494SS..Hα-helixtrans-71.6-40.2178.5-69.8170.5000112R12 K13 A18 Q19 N20R12-L16 HydrophobicContact CG-CD1 4.32Å; R12-L16 WeakPolarHBondContact O-CG 3.22Å; R12-L16 PolarHBondContact O-N 3.42Å; R12-L16 VanDerWaalsContact O-N 3.1Å; K13-L16 PolarHBondContact O-N 3.49Å; K13-L16 VanDerWaalsContact O-N 3.17Å; L16-A18 VanDerWaalsContact C-N 3.35Å; L16-Q19 PolarHBondContact O-N 3.49Å; L16-N20 WeakPolarHBondContact O-CB 3.39Å; L16-N20 PolarHBondContact O-N 3.48Å
17E89.4Confident85.4Confident110 Ų11094.7 Ų94.751%0.51448%0.482SS..Hα-helixtrans-61.9-43.9173.8-73.3175.4124.500111K13 N20 A21K13-E17 WeakPolarHBondContact O-CG 3.25Å; K13-E17 PolarHBondContact O-N 2.8Å; E17-N20 PolarHBondContact O-N 3.46Å; E17-A21 VanDerWaalsContact O-CB 3.29Å; E17-A21 WeakPolarHBondContact O-CB 3.08Å; E17-A21 PolarHBondContact O-N 3.18Å
18A87.4Confident85.2Confident16 Ų1694.5 Ų94.513%0.13248%0.478CS..Hα-helixtrans-64.6-41.4174.600000112.2F9 A14 L16 A21 L22 M37F9-A18 HydrophobicContact CE1-CB 3.58Å; F9-A18 HydrophobicContact CE2-CB 4.14Å; F9-A18 HydrophobicContact CZ-CB 3.34Å; A14-A18 VanDerWaalsContact O-CB 3.27Å; A14-A18 WeakPolarHBondContact O-CB 3.12Å; A14-A18 PolarHBondContact O-N 3.21Å; L16-A18 VanDerWaalsContact C-N 3.35Å; A18-A21 PolarHBondContact O-N 2.96Å; A18-L22 VanDerWaalsContact O-CB 3.3Å; A18-L22 WeakPolarHBondContact O-CB 3.28Å; A18-L22 WeakPolarHBondContact O-CG 3.09Å; A18-L22 PolarHBondContact O-N 2.83Å; A18-M37 HydrophobicContact CB-CE 4.31Å
19Q88.5Confident84.7Confident41 Ų4195 Ų9519%0.19248%0.481CS..Hα-helixtrans-58.8-50.1174.5-174.5179.413.300110.7A15 L16 A21 L22 H23 M37A15-Q19 WeakPolarHBondContact O-CB 3.39Å; A15-Q19 PolarHBondContact O-N 2.83Å; L16-Q19 PolarHBondContact O-N 3.49Å; Q19-A21 VanDerWaalsContact C-N 3.31Å; Q19-A21 PolarHBondContact O-N 3.12Å; Q19-L22 PolarHBondContact O-N 3.05Å; Q19-H23 HydrophobicContact CG-CB 4.35Å; Q19-H23 WeakPolarHBondContact O-CA 3.41Å; Q19-H23 WeakPolarHBondContact O-CB 3.35Å; Q19-H23 PolarHBondContact O-N 3.49Å; Q19-M37 HydrophobicContact CB-CB 4.45Å; Q19-M37 HydrophobicContact CG-CB 4.03Å; Q19-M37 PolarHBondContact NE2-O 2.93Å; Q19-M37 VanDerWaalsContact NE2-O 3.12Å
20N87.9Confident84.2Confident124 Ų12495.7 Ų95.766%0.66351%0.509SS*.Hα-helixtrans-64.3-33.9179.3-76.5-8.2000113L16 E17 I25L16-N20 WeakPolarHBondContact O-CB 3.39Å; L16-N20 PolarHBondContact O-N 3.48Å; E17-N20 PolarHBondContact O-N 3.46Å; N20-I25 WeakPolarHBondContact O-CD1 3.21Å
21A87.2Confident83.5Confident58 Ų5887.7 Ų87.748%0.47948%0.481SS..Hα-helixtrans-80.9-26-177.400000114E17 A18 Q19E17-A21 VanDerWaalsContact O-CB 3.29Å; E17-A21 WeakPolarHBondContact O-CB 3.08Å; E17-A21 PolarHBondContact O-N 3.18Å; A18-A21 PolarHBondContact O-N 2.96Å; Q19-A21 VanDerWaalsContact C-N 3.31Å; Q19-A21 PolarHBondContact O-N 3.12Å
22L84.4Confident82.7Confident53 Ų5392.9 Ų92.928%0.27750%0.501SS..Hα-helixtrans-117.9-24.3-169.9-60.8174.8000113.4A18 Q19 N24 I25 K26 M37A18-L22 VanDerWaalsContact O-CB 3.3Å; A18-L22 WeakPolarHBondContact O-CB 3.28Å; A18-L22 WeakPolarHBondContact O-CG 3.09Å; A18-L22 PolarHBondContact O-N 2.83Å; Q19-L22 PolarHBondContact O-N 3.05Å; L22-N24 PolarHBondContact O-N 3.16Å; L22-I25 PolarHBondContact O-N 3.18Å; L22-K26 HydrophobicContact CD2-CB 3.83Å; L22-K26 HydrophobicContact CD2-CD 3.51Å; L22-K26 HydrophobicContact CD2-CG 4.3Å; L22-K26 PolarHBondContact O-N 3.07Å; L22-M37 HydrophobicContact CB-SD 3.49Å; L22-M37 WeakPolarHBondContact CB-SD 3.16Å; L22-M37 HydrophobicContact CD1-SD 3.88Å; L22-M37 HydrophobicContact CG-SD 4.26Å
23H85.7Confident82.5Confident71 Ų7189 Ų8933%0.32949%0.491SS..THydrogen-bonded Turntrans-63.5117.5179.3-175.887.8000110.8Q19 I25 I35 M37Q19-H23 HydrophobicContact CG-CB 4.35Å; Q19-H23 WeakPolarHBondContact O-CA 3.41Å; Q19-H23 WeakPolarHBondContact O-CB 3.35Å; Q19-H23 PolarHBondContact O-N 3.49Å; H23-I25 WeakPolarHBondContact O-CG1 3.46Å; H23-I25 PolarHBondContact O-N 3.5Å; H23-I25 VanDerWaalsContact O-N 3.13Å; H23-I35 CarbonylContact C-O 3.54Å; H23-I35 WeakPolarHBondContact CA-O 3.39Å; H23-M37 HydrophobicContact CB-CB 4.24Å; H23-M37 PolarHBondContact CE1-O 3.37Å; H23-M37 PolarHBondContact ND1-N 3.22Å; H23-M37 PolarHBondContact ND1-O 2.86Å
24N82.1Confident82.1Confident106 Ų10683.9 Ų83.957%0.56747%0.472SS*.THydrogen-bonded Turntrans61.315.4178.6-147-15.8000114.6L22 P34 I35L22-N24 PolarHBondContact O-N 3.16Å; N24-P34 WeakPolarHBondContact OD1-CG 3.42Å; N24-I35 PolarHBondContact N-O 3.23Å
25I80.9Confident81.9Confident117 Ų11784 Ų8460%0.647%0.469SS*.THydrogen-bonded Turntrans-117-47.6-175.7-64.9160.5000110.9N20 L22 H23N20-I25 WeakPolarHBondContact O-CD1 3.21Å; L22-I25 PolarHBondContact O-N 3.18Å; H23-I25 WeakPolarHBondContact O-CG1 3.46Å; H23-I25 PolarHBondContact O-N 3.5Å; H23-I25 VanDerWaalsContact O-N 3.13Å
26K76.3Confident81.7Confident117 Ų11789.9 Ų89.951%0.50949%0.491SS..  trans-99.8124.8-175.9-164.9166.3-171175.80110.2L22 I35L22-K26 HydrophobicContact CD2-CB 3.83Å; L22-K26 HydrophobicContact CD2-CD 3.51Å; L22-K26 HydrophobicContact CD2-CG 4.3Å; L22-K26 PolarHBondContact O-N 3.07Å; K26-I35 HydrophobicContact CB-CD1 4.07Å; K26-I35 HydrophobicContact CG-CD1 4.36Å; K26-I35 WeakPolarHBondContact O-CB 3.11Å; K26-I35 WeakPolarHBondContact O-CD1 3.46Å; K26-I35 WeakPolarHBondContact O-CG1 3.48Å; K26-I35 PolarHBondContact O-N 2.92Å
27T79.8Confident81.6Confident74 Ų7487.8 Ų87.845%0.45448%0.479SS..  trans-104.6122.9172.2-55.20000108.1M31 P34T27-M31 HydrophobicContact CG2-CB 4.28Å; T27-M31 WeakPolarHBondContact CG2-O 3.41Å; T27-P34 WeakPolarHBondContact OG1-CA 3.38Å
28L77.3Confident81.1Confident88 Ų8891.1 Ų91.146%0.46149%0.492SS..  trans-71148.2176.8-61173.9000109.9G30 M31 I35L28-G30 PolarHBondContact O-N 3.29Å; L28-M31 HydrophobicContact CB-CE 3.76Å; L28-M31 HydrophobicContact CB-CG 3.94Å; L28-M31 HydrophobicContact CB-SD 3.94Å; L28-M31 HydrophobicContact CD1-CE 3.95Å; L28-M31 HydrophobicContact CD1-SD 3.89Å; L28-M31 HydrophobicContact CG-CE 3.82Å; L28-M31 HydrophobicContact CG-SD 4.24Å; L28-M31 WeakPolarHBondContact O-CB 3.31Å; L28-M31 PolarHBondContact O-N 3.12Å; L28-I35 HydrophobicContact CD1-CD1 4.29Å; L28-I35 HydrophobicContact CD1-CG1 4.4Å; L28-I35 HydrophobicContact CD2-CD1 3.92Å; L28-I35 HydrophobicContact CG-CD1 3.78Å; L28-I35 HydrophobicContact CG-CG1 4.05Å
29T74.1Confident80.8Confident152 Ų15294.9 Ų94.993%0.93352%0.515SS*.THydrogen-bonded Turntrans-58.7120.5177.551.50000110
30G74.1Confident79.9Confident90 Ų9096.1 Ų96.193%0.92853%0.532SS*.THydrogen-bonded Turntrans92.8-0.7-175.200000115.1L28L28-G30 PolarHBondContact O-N 3.29Å
31M71.9Confident78.8Confident64 Ų6495 Ų9532%0.31553%0.526SS..  trans-100.2136.4171.1-58.5-162.9-31.700111.2T27 L28 H33 I35T27-M31 HydrophobicContact CG2-CB 4.28Å; T27-M31 WeakPolarHBondContact CG2-O 3.41Å; L28-M31 HydrophobicContact CB-CE 3.76Å; L28-M31 HydrophobicContact CB-CG 3.94Å; L28-M31 HydrophobicContact CB-SD 3.94Å; L28-M31 HydrophobicContact CD1-CE 3.95Å; L28-M31 HydrophobicContact CD1-SD 3.89Å; L28-M31 HydrophobicContact CG-CE 3.82Å; L28-M31 HydrophobicContact CG-SD 4.24Å; L28-M31 WeakPolarHBondContact O-CB 3.31Å; L28-M31 PolarHBondContact O-N 3.12Å; M31-H33 WeakPolarHBondContact CE-O 3.44Å; M31-I35 HydrophobicContact CE-CG1 3.78Å
32H73.1Confident77.3Confident174 Ų17497.3 Ų97.381%0.80654%0.539SS*.SBendtrans-86.9-8.5177.1-167.1-101.6000113
33H79.6Confident75.8Confident128 Ų128101.8 Ų101.859%0.59356%0.558SS**SBendtrans-124.6142.4-179.7-63.5-65.2000110.9M31M31-H33 WeakPolarHBondContact CE-O 3.44Å
34P80.9Confident74Confident36 Ų36102.8 Ų102.823%0.23456%0.562CS.*  trans-65.7152.717529.8-34.9000110.6N24 T27 Q36N24-P34 WeakPolarHBondContact OD1-CG 3.42Å; T27-P34 WeakPolarHBondContact OG1-CA 3.38Å; P34-Q36 PolarHBondContact O-N 3.46Å
35I84.1Confident72.5Confident37 Ų37102.2 Ų102.219%0.1957%0.566CS.*  trans-60.8127.7-176.3-64.1162.8000109.7H23 N24 K26 L28 M31 M37H23-I35 CarbonylContact C-O 3.54Å; H23-I35 WeakPolarHBondContact CA-O 3.39Å; N24-I35 PolarHBondContact N-O 3.23Å; K26-I35 HydrophobicContact CB-CD1 4.07Å; K26-I35 HydrophobicContact CG-CD1 4.36Å; K26-I35 WeakPolarHBondContact O-CB 3.11Å; K26-I35 WeakPolarHBondContact O-CD1 3.46Å; K26-I35 WeakPolarHBondContact O-CG1 3.48Å; K26-I35 PolarHBondContact O-N 2.92Å; L28-I35 HydrophobicContact CD1-CD1 4.29Å; L28-I35 HydrophobicContact CD1-CG1 4.4Å; L28-I35 HydrophobicContact CD2-CD1 3.92Å; L28-I35 HydrophobicContact CG-CD1 3.78Å; L28-I35 HydrophobicContact CG-CG1 4.05Å; M31-I35 HydrophobicContact CE-CG1 3.78Å; I35-M37 HydrophobicContact CG2-CG 3.75Å
36Q83.3Confident71Confident154 Ų154102.2 Ų102.272%0.7257%0.567SS**  trans-100.2101173.2-63.5-174.511.700110P34P34-Q36 PolarHBondContact O-N 3.46Å
37M84.5Confident69.6Low34 Ų3498.8 Ų98.817%0.16757%0.565CS.*  trans-92.9120.6173.5-62.7-172.678.300111.2F9 A18 Q19 L22 H23 I35F9-M37 HydrophobicContact CE2-CE 4.19Å; F9-M37 HydrophobicContact CZ-CE 4.26Å; A18-M37 HydrophobicContact CB-CE 4.31Å; Q19-M37 HydrophobicContact CB-CB 4.45Å; Q19-M37 HydrophobicContact CG-CB 4.03Å; Q19-M37 PolarHBondContact NE2-O 2.93Å; Q19-M37 VanDerWaalsContact NE2-O 3.12Å; L22-M37 HydrophobicContact CB-SD 3.49Å; L22-M37 WeakPolarHBondContact CB-SD 3.16Å; L22-M37 HydrophobicContact CD1-SD 3.88Å; L22-M37 HydrophobicContact CG-SD 4.26Å; H23-M37 HydrophobicContact CB-CB 4.24Å; H23-M37 PolarHBondContact CE1-O 3.37Å; H23-M37 PolarHBondContact ND1-N 3.22Å; H23-M37 PolarHBondContact ND1-O 2.86Å; I35-M37 HydrophobicContact CG2-CG 3.75Å
38K80.9Confident68.2Low179 Ų17999.7 Ų99.778%0.77856%0.564SS**  trans-118.6149.3167.7-82.1-179.3159.71780108.8A40K38-A40 PolarHBondContact O-N 3.37Å
39P80.6Confident66.9Low95 Ų9599.6 Ų99.662%0.61756%0.557SS**  trans-57126.1168.4-15.530000107.3D41P39-D41 PolarHBondContact O-N 3.13Å; P39-D41 VanDerWaalsContact O-N 3.14Å
40A69.4Low66.1Low67 Ų6794.2 Ų94.255%0.55453%0.525SS*.  trans-61.6120.1171.400000106.7F6 K38 S42F6-A40 HydrophobicContact CD1-CB 4.27Å; K38-A40 PolarHBondContact O-N 3.37Å; A40-S42 PolarHBondContact O-N 2.79Å
41D65.3Low65.6Low101 Ų10193.7 Ų93.754%0.5450%0.498SS..  trans-66.992.2171-159.5-62.9000105.7P39 E43 K44P39-D41 PolarHBondContact O-N 3.13Å; P39-D41 VanDerWaalsContact O-N 3.14Å; D41-E43 PolarHBondContact O-N 3.07Å; D41-K44 WeakPolarHBondContact OD1-CB 3.42Å; D41-K44 WeakPolarHBondContact OD1-CD 3.41Å; D41-K44 WeakPolarHBondContact OD1-CE 3.42Å; D41-K44 WeakPolarHBondContact OD1-CG 3.34Å; D41-K44 IonicContact OD1-NZ 3.65Å; D41-K44 IonicContact OD2-NZ 2.94Å; D41-K44 PolarHBondContact OD2-NZ 3.17Å
42S54.8Low66Low106 Ų10692.7 Ų92.774%0.74149%0.491SS*.  trans-62.1106.1-178.1-167.10000106.6A40 K44A40-S42 PolarHBondContact O-N 2.79Å; S42-K44 VanDerWaalsContact C-N 3.28Å; S42-K44 PolarHBondContact O-N 2.85Å
43E53.5Low66.7Low148 Ų14887.6 Ų87.669%0.69247%0.467SS*.SBendtrans56.232.1156.2-152.3178.798.200116.2D41 S45D41-E43 PolarHBondContact O-N 3.07Å; E43-S45 PolarHBondContact O-N 3.31Å
44K46.5Very low67.2Low91 Ų9181.5 Ų81.540%0.39644%0.439SS..Hα-helixtrans-58.3-32.2160.2-79.6179.5-162.9149.20109.9D41 S42 N46 W49D41-K44 WeakPolarHBondContact OD1-CB 3.42Å; D41-K44 WeakPolarHBondContact OD1-CD 3.41Å; D41-K44 WeakPolarHBondContact OD1-CE 3.42Å; D41-K44 WeakPolarHBondContact OD1-CG 3.34Å; D41-K44 IonicContact OD1-NZ 3.65Å; D41-K44 IonicContact OD2-NZ 2.94Å; D41-K44 PolarHBondContact OD2-NZ 3.17Å; S42-K44 VanDerWaalsContact C-N 3.28Å; S42-K44 PolarHBondContact O-N 2.85Å; K44-N46 PolarHBondContact O-N 3.39Å; K44-W49 HydrophobicContact CB-CZ2 4.39Å; K44-W49 PolarHBondContact O-NE1 3.31Å
45S51.6Low67.7Low94 Ų9482.7 Ų82.766%0.65744%0.44SS*.Hα-helixtrans-66.4-15.7-169.9-157.80000120.1E43E43-S45 PolarHBondContact O-N 3.31Å
46N48.7Very low67.9Low118 Ų11881 Ų8163%0.63143%0.431SS*.Hα-helixtrans-130-12.2-171.6-114.9-2.7000117K44K44-N46 PolarHBondContact O-N 3.39Å
47G47.6Very low68.1Low44 Ų4473.7 Ų73.745%0.45440%0.398SS..Hα-helixtrans-123.1-31.9179.900000115.6P50G47-P50 WeakPolarHBondContact O-CD 3.4Å; G47-P50 WeakPolarHBondContact O-CG 3Å
48E50.4Low68.3Low93 Ų9376.6 Ų76.644%0.43541%0.412SS..THydrogen-bonded Turntrans-98.2-29.5-174.7-75.6-158.7123.700115.7Q51 R52E48-Q51 PolarHBondContact O-N 3.04Å; E48-R52 IonicContact OE1-CZ 3.79Å; E48-R52 IonicContact OE1-NH2 2.81Å; E48-R52 PolarHBondContact OE1-NH2 2.75Å; E48-R52 IonicContact OE2-CZ 3.19Å; E48-R52 IonicContact OE2-NH1 2.82Å; E48-R52 PolarHBondContact OE2-NH1 2.89Å; E48-R52 IonicContact OE2-NH2 2.76Å; E48-R52 PolarHBondContact OE2-NH2 3.31Å
49W51Low68.5Low86 Ų8668.5 Ų68.533%0.32638%0.378SS..G310 helixtrans-57-33.8172.5-60.1102.1000116K44 Q51 R52 K53 E79 T98K44-W49 HydrophobicContact CB-CZ2 4.39Å; K44-W49 PolarHBondContact O-NE1 3.31Å; W49-Q51 PolarHBondContact O-N 3.3Å; W49-Q51 VanDerWaalsContact O-N 3.11Å; W49-R52 PolarHBondContact O-N 3.25Å; W49-R52 VanDerWaalsContact O-N 3.07Å; W49-K53 WeakPolarHBondContact O-CB 3.43Å; W49-K53 PolarHBondContact O-N 2.98Å; W49-E79 WeakPolarHBondContact CH2-OE2 3.23Å; W49-E79 WeakPolarHBondContact CZ3-OE2 3.46Å; W49-T98 HydrophobicContact CE3-CG2 3.51Å; W49-T98 HydrophobicContact CZ3-CG2 3.58Å
50P56Low68.6Low39 Ų3964.8 Ų64.825%0.25335%0.354SS..G310 helixtrans-59-28.8-177.219.2-33.5000113.8G47 T132G47-P50 WeakPolarHBondContact O-CD 3.4Å; G47-P50 WeakPolarHBondContact O-CG 3Å; P50-T132 HydrophobicContact CB-CG2 3.51Å; P50-T132 HydrophobicContact CG-CG2 4.41Å
51Q63.9Low69.2Low79 Ų7968.6 Ų68.637%0.36936%0.358SS..G310 helixtrans-99.42.2-177.5-59.6173.28.900113E48 W49 R102 F129E48-Q51 PolarHBondContact O-N 3.04Å; W49-Q51 PolarHBondContact O-N 3.3Å; W49-Q51 VanDerWaalsContact O-N 3.11Å; Q51-R102 HydrophobicContact CB-CG 4.03Å; Q51-R102 VanDerWaalsContact CD-CZ 3.48Å; Q51-R102 WeakPolarHBondContact O-CG 3.48Å; Q51-F129 VanDerWaalsContact O-CE1 3.24Å; Q51-F129 WeakPolarHBondContact O-CE1 3.49Å
52R80.9Confident69.9Low43 Ų4372.7 Ų72.716%0.16237%0.371CS..THydrogen-bonded Turntrans-110.1-23.8175.9-68.1177.6-1761494.8112.1E48 W49 T98 F99E48-R52 IonicContact OE1-CZ 3.79Å; E48-R52 IonicContact OE1-NH2 2.81Å; E48-R52 PolarHBondContact OE1-NH2 2.75Å; E48-R52 IonicContact OE2-CZ 3.19Å; E48-R52 IonicContact OE2-NH1 2.82Å; E48-R52 PolarHBondContact OE2-NH1 2.89Å; E48-R52 IonicContact OE2-NH2 2.76Å; E48-R52 PolarHBondContact OE2-NH2 3.31Å; W49-R52 PolarHBondContact O-N 3.25Å; W49-R52 VanDerWaalsContact O-N 3.07Å; R52-T98 HydrophobicContact CB-CG2 4.48Å; R52-F99 WeakPolarHBondContact CB-O 2.93Å; R52-F99 PolarHBondContact O-N 3.19Å
53K88.1Confident71.1Confident68 Ų6868.3 Ų68.330%0.29634%0.34SS..EExtended strand (participates in β ladder)trans-88123.5177.1-167.1170.9-172.8155.60110.6W49 F96 V97 A130W49-K53 WeakPolarHBondContact O-CB 3.43Å; W49-K53 PolarHBondContact O-N 2.98Å; K53-F96 HydrophobicContact CD-CD1 4.5Å; K53-F96 HydrophobicContact CG-CD1 4.43Å; K53-V97 CarbonylContact C-O 3.55Å; K53-V97 WeakPolarHBondContact CA-O 3.48Å; K53-A130 HydrophobicContact CB-CB 4.06Å; K53-A130 HydrophobicContact CD-CB 4.14Å; K53-A130 HydrophobicContact CG-CB 3.72Å; K53-A130 WeakPolarHBondContact O-CB 3.22Å; K53-A130 PolarHBondContact O-N 2.98Å
54L89.4Confident72.7Confident0 Ų065.1 Ų65.10%033%0.328CS..EExtended strand (participates in β ladder)trans-105.7142.2174.4-58.4-172.2000110.2F96 V97 F99 A105 A108 I109 V127 K128 F129L54-F96 WeakPolarHBondContact O-CA 3.29Å; L54-V97 PolarHBondContact N-O 3.41Å; L54-V97 PolarHBondContact O-N 2.78Å; L54-F99 HydrophobicContact CD1-CD2 3.95Å; L54-F99 HydrophobicContact CD1-CE2 3.64Å; L54-F99 HydrophobicContact CG-CD2 4.26Å; L54-F99 HydrophobicContact CG-CE2 4.35Å; L54-A105 HydrophobicContact CD1-CB 4.15Å; L54-A105 WeakPolarHBondContact CD1-O 3.11Å; L54-A105 HydrophobicContact CD2-CB 3.94Å; L54-A105 HydrophobicContact CG-CB 4.04Å; L54-A108 HydrophobicContact CD1-CB 4.01Å; L54-I109 HydrophobicContact CD1-CG1 4Å; L54-I109 HydrophobicContact CD2-CD1 3.56Å; L54-I109 HydrophobicContact CD2-CG1 3.8Å; L54-V127 HydrophobicContact CB-CG1 4.28Å; L54-V127 HydrophobicContact CD1-CG1 3.7Å; L54-K128 CarbonylContact C-O 3.5Å; L54-K128 VanDerWaalsContact CA-O 3.25Å; L54-K128 WeakPolarHBondContact CA-O 3.49Å; L54-F129 HydrophobicContact CD2-CD1 3.63Å; L54-F129 HydrophobicContact CD2-CE1 3.83Å; L54-F129 HydrophobicContact CD2-CG 4.31Å
55F91.1Very high74.6Confident61 Ų6164.2 Ų64.227%0.26833%0.325SS..EExtended strand (participates in β ladder)trans-94.3127.2162.8175.2-98.6000108.8C94 F96 V127 K128 A130F55-C94 HydrophobicContact CE2-CB 3.73Å; F55-C94 HydrophobicContact CZ-CB 3.88Å; F55-F96 HydrophobicContact CB-CD1 4.3Å; F55-F96 HydrophobicContact CB-CE1 4.01Å; F55-F96 HydrophobicContact CD2-CD1 4.2Å; F55-F96 AromaticContact CD2-CE1 3.6Å; F55-F96 HydrophobicContact CD2-CE1 3.6Å; F55-F96 HydrophobicContact CD2-CE2 4.47Å; F55-F96 AromaticContact CD2-CZ 3.76Å; F55-F96 HydrophobicContact CD2-CZ 3.76Å; F55-F96 HydrophobicContact CE2-CZ 4.36Å; F55-F96 HydrophobicContact CG-CE1 4.29Å; F55-V127 WeakPolarHBondContact O-CA 3.06Å; F55-K128 PolarHBondContact N-O 2.97Å; F55-K128 PolarHBondContact O-N 2.58Å; F55-A130 HydrophobicContact CB-CB 4.37Å
56I89.1Confident76.4Confident0 Ų064.9 Ų64.90%032%0.321CS..EExtended strand (participates in β ladder)trans-115.4105.4176.6-53.3167.3000106.6V59 I68 F72 C94 A95 V97 I125 V126 V127I56-V59 HydrophobicContact CB-CG2 4.29Å; I56-V59 HydrophobicContact CG2-CG2 3.39Å; I56-I68 HydrophobicContact CD1-CG2 3.86Å; I56-F72 HydrophobicContact CD1-CD1 4.33Å; I56-F72 HydrophobicContact CD1-CD2 3.98Å; I56-F72 HydrophobicContact CD1-CE1 3.91Å; I56-F72 HydrophobicContact CD1-CE2 3.54Å; I56-F72 HydrophobicContact CD1-CG 4.35Å; I56-F72 HydrophobicContact CD1-CZ 3.49Å; I56-F72 VanDerWaalsContact CD1-CZ 3.49Å; I56-F72 HydrophobicContact CG1-CE1 4.35Å; I56-F72 HydrophobicContact CG1-CE2 4.38Å; I56-F72 HydrophobicContact CG1-CZ 3.93Å; I56-F72 HydrophobicContact CG2-CE2 4.31Å; I56-F72 HydrophobicContact CG2-CZ 4.14Å; I56-C94 CarbonylContact O-C 3.58Å; I56-C94 VanDerWaalsContact O-CA 3.23Å; I56-C94 WeakPolarHBondContact O-CA 3.4Å; I56-A95 HydrophobicContact CB-CB 4.47Å; I56-A95 PolarHBondContact N-O 3.49Å; I56-A95 PolarHBondContact O-N 2.76Å; I56-V97 HydrophobicContact CD1-CB 3.84Å; I56-V97 HydrophobicContact CD1-CG2 3.36Å; I56-I125 HydrophobicContact CG2-CD1 3.53Å; I56-I125 HydrophobicContact CG2-CG1 3.63Å; I56-V126 CarbonylContact C-O 3.46Å; I56-V126 VanDerWaalsContact CA-O 3.3Å; I56-V126 WeakPolarHBondContact CA-O 3.46Å; I56-V127 HydrophobicContact CG1-CG1 4.36Å; I56-V127 HydrophobicContact CG2-CG2 4.4Å
57G87.8Confident78.3Confident2 Ų263 Ų632%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-101.1168.8174.600000111.9V59 G93 V126G57-V59 VanDerWaalsContact C-N 3.27Å; G57-V59 PolarHBondContact O-N 3.24Å; G57-G93 CarbonylContact C-O 3.49Å; G57-V126 PolarHBondContact N-O 2.98Å; G57-V126 PolarHBondContact O-N 3.2Å
58M87.9Confident80.2Confident94 Ų9461.1 Ų61.146%0.46329%0.291SS..SBendtrans60.536.7177.9-54.3-60.8140.200113.1G93 P124 V126M58-G93 PolarHBondContact N-O 3.01Å; M58-P124 WeakPolarHBondContact CB-O 3.36Å; M58-V126 HydrophobicContact CB-CG2 4.37Å; M58-V126 HydrophobicContact CG-CG2 3.88Å
59V85.9Confident82Confident10 Ų1061 Ų616%0.06129%0.286CS..  trans-89.3146.2173.1-167.90000109.3I56 G57 C63 I68 G93 I125I56-V59 HydrophobicContact CB-CG2 4.29Å; I56-V59 HydrophobicContact CG2-CG2 3.39Å; G57-V59 VanDerWaalsContact C-N 3.27Å; G57-V59 PolarHBondContact O-N 3.24Å; V59-C63 HydrophobicContact CG1-CB 3.74Å; V59-I68 HydrophobicContact CG1-CD1 4.09Å; V59-I68 HydrophobicContact CG1-CG1 4.37Å; V59-G93 PolarHBondContact N-O 2.86Å; V59-G93 WeakPolarHBondContact O-CA 3.46Å; V59-I125 HydrophobicContact CG2-CD1 4.12Å; V59-I125 HydrophobicContact CG2-CG1 4.18Å
60S82.8Confident83.8Confident16 Ų1661.6 Ų61.611%0.11230%0.299CS..  trans-60.2141.5177.2-173.70000111.5K62 C63 E119S60-K62 PolarHBondContact O-N 3.49Å; S60-K62 VanDerWaalsContact O-N 3.16Å; S60-C63 WeakPolarHBondContact O-CB 3.41Å; S60-C63 PolarHBondContact O-N 3.31Å; S60-E119 PolarHBondContact OG-O 3.3Å
61K81.8Confident85.2Confident147 Ų14761.7 Ų61.764%0.63930%0.297SS*.THydrogen-bonded Turntrans-66.2-16.4-179.8-59.3-174.1-178.7173.80112.9S91K61-S91 WeakPolarHBondContact CG-O 3.48Å
62K80.1Confident86.3Confident188 Ų18858 Ų5882%0.81728%0.279SS*.THydrogen-bonded Turntrans-83.9-15.8175.4-63.5-175.9-179.91780113.1S60S60-K62 PolarHBondContact O-N 3.49Å; S60-K62 VanDerWaalsContact O-N 3.16Å
63C79.4Confident86.7Confident14 Ų1459.4 Ų59.410%0.09530%0.296CS..  trans-73131180-64.10000110.8V59 S60 I83 M118V59-C63 HydrophobicContact CG1-CB 3.74Å; S60-C63 WeakPolarHBondContact O-CB 3.41Å; S60-C63 PolarHBondContact O-N 3.31Å; C63-I83 WeakPolarHBondContact O-CD1 3.19Å; C63-M118 VanDerWaalsContact SG-CE 3.52Å
64N86.8Confident86.7Confident81 Ų8160.2 Ų60.243%0.43332%0.315SS..  trans-100.1172.8172.2-85.9-34.2000111.3N66 D67 I68 R85N64-N66 PolarHBondContact O-N 3.48Å; N64-D67 PolarHBondContact N-OD2 3.45Å; N64-D67 PolarHBondContact O-N 2.9Å; N64-D67 VanDerWaalsContact O-N 3.12Å; N64-I68 PolarHBondContact O-N 2.87Å; N64-R85 PolarHBondContact OD1-NH2 2.81Å
65E86.1Confident86.5Confident71 Ų7162.6 Ų62.633%0.33233%0.326SS..Hα-helixtrans-60.9-34-177.6-105.6164.567.500112.2I68 R69 C81 R82 I83E65-I68 PolarHBondContact O-N 3.24Å; E65-R69 WeakPolarHBondContact O-CB 3.4Å; E65-R69 PolarHBondContact O-N 3.4Å; E65-C81 VanDerWaalsContact CD-O 3.29Å; E65-C81 HydrophobicContact CG-CB 4.01Å; E65-R82 WeakPolarHBondContact OE2-CA 3.44Å; E65-I83 HydrophobicContact CB-CD1 4.37Å; E65-I83 HydrophobicContact CG-CD1 4.09Å; E65-I83 HydrophobicContact CG-CG1 3.99Å; E65-I83 PolarHBondContact OE2-N 3.45Å
66N89.4Confident86.3Confident109 Ų10960.3 Ų60.358%0.58332%0.319SS*.Hα-helixtrans-62.4-43.9175.6-170.470.3000111.7N64 I68 R69 V70N64-N66 PolarHBondContact O-N 3.48Å; N66-I68 PolarHBondContact O-N 3.43Å; N66-R69 PolarHBondContact O-N 2.88Å; N66-V70 WeakPolarHBondContact O-CG2 3.35Å; N66-V70 PolarHBondContact O-N 3.48Å
67D88.2Confident86.2Confident78 Ų7866.9 Ų66.942%0.41735%0.35SS..Hα-helixtrans-64.3-44.8-179.9-52.1-46.8000110.8N64 R69 V70 M71N64-D67 PolarHBondContact N-OD2 3.45Å; N64-D67 PolarHBondContact O-N 2.9Å; N64-D67 VanDerWaalsContact O-N 3.12Å; D67-R69 VanDerWaalsContact C-N 3.32Å; D67-R69 PolarHBondContact O-N 2.93Å; D67-V70 PolarHBondContact O-N 2.85Å; D67-M71 VanDerWaalsContact O-CB 3.25Å; D67-M71 WeakPolarHBondContact O-CB 3.47Å; D67-M71 PolarHBondContact O-N 3.01Å
68I87.4Confident86.3Confident5 Ų567.6 Ų67.63%0.02635%0.353CS..Hα-helixtrans-63.7-40.8175.9-60.7-177.3000110.3I56 V59 N64 E65 N66 M71 F72 I83 A95 V97I56-I68 HydrophobicContact CD1-CG2 3.86Å; V59-I68 HydrophobicContact CG1-CD1 4.09Å; V59-I68 HydrophobicContact CG1-CG1 4.37Å; N64-I68 PolarHBondContact O-N 2.87Å; E65-I68 PolarHBondContact O-N 3.24Å; N66-I68 PolarHBondContact O-N 3.43Å; I68-M71 PolarHBondContact O-N 3.3Å; I68-F72 HydrophobicContact CG2-CD2 3.84Å; I68-F72 HydrophobicContact CG2-CE2 4.23Å; I68-F72 WeakPolarHBondContact O-CB 3.36Å; I68-F72 WeakPolarHBondContact O-CD2 3.41Å; I68-F72 PolarHBondContact O-N 3.01Å; I68-I83 HydrophobicContact CD1-CD1 3.9Å; I68-I83 HydrophobicContact CD1-CG1 3.79Å; I68-A95 HydrophobicContact CD1-CB 3.41Å; I68-A95 VanDerWaalsContact CD1-CB 3.41Å; I68-V97 HydrophobicContact CG2-CG2 3.68Å
69R89.2Confident86.3Confident90 Ų9068.3 Ų68.334%0.3436%0.356SS..Hα-helixtrans-61.9-47.3177.5-178.4177.2-76.5-93.20.6111.1E65 N66 D67 M71 F72 S73 I78 C81E65-R69 WeakPolarHBondContact O-CB 3.4Å; E65-R69 PolarHBondContact O-N 3.4Å; N66-R69 PolarHBondContact O-N 2.88Å; D67-R69 VanDerWaalsContact C-N 3.32Å; D67-R69 PolarHBondContact O-N 2.93Å; R69-M71 PolarHBondContact O-N 3.28Å; R69-F72 PolarHBondContact O-N 3.33Å; R69-S73 WeakPolarHBondContact O-CA 2.93Å; R69-S73 WeakPolarHBondContact O-CB 3.45Å; R69-S73 PolarHBondContact O-N 2.99Å; R69-I78 HydrophobicContact CB-CD1 4.33Å; R69-I78 HydrophobicContact CG-CD1 4.02Å; R69-I78 PolarHBondContact NH1-O 2.92Å; R69-I78 VanDerWaalsContact O-CD1 3.31Å; R69-I78 WeakPolarHBondContact O-CD1 3.12Å; R69-C81 PolarHBondContact NH2-SG 3.28Å; R69-C81 VanDerWaalsContact NH2-SG 3.39Å
70V89.2Confident86.2Confident98 Ų9871.9 Ų71.959%0.59437%0.371SS*.Hα-helixtrans-61.4-45.9178172.10000110.8N66 D67 F72 S73N66-V70 WeakPolarHBondContact O-CG2 3.35Å; N66-V70 PolarHBondContact O-N 3.48Å; D67-V70 PolarHBondContact O-N 2.85Å; V70-F72 PolarHBondContact O-N 2.77Å; V70-S73 PolarHBondContact O-N 3.03Å
71M85.6Confident86.4Confident42 Ų4271.7 Ų71.721%0.20737%0.37CS..Hα-helixtrans-64.6-37.1-179-173.5170154.500112.8D67 I68 R69 F75 M112 M118 I125D67-M71 VanDerWaalsContact O-CB 3.25Å; D67-M71 WeakPolarHBondContact O-CB 3.47Å; D67-M71 PolarHBondContact O-N 3.01Å; I68-M71 PolarHBondContact O-N 3.3Å; R69-M71 PolarHBondContact O-N 3.28Å; M71-F75 WeakPolarHBondContact O-CE2 3.45Å; M71-M112 HydrophobicContact CE-CE 3.16Å; M71-M112 HydrophobicContact CG-CE 3.6Å; M71-M112 HydrophobicContact SD-CE 4.19Å; M71-M118 HydrophobicContact CE-SD 4.35Å; M71-I125 HydrophobicContact CE-CD1 3.58Å
72F86.8Confident86.7Confident1 Ų172 Ų720%0.00437%0.367CS..Hα-helixtrans-91.8-14.8179.6-80-96.2000114I56 I68 R69 V70 A74 F75 G76 I78 F99 A108 M112 I125 V127I56-F72 HydrophobicContact CD1-CD1 4.33Å; I56-F72 HydrophobicContact CD1-CD2 3.98Å; I56-F72 HydrophobicContact CD1-CE1 3.91Å; I56-F72 HydrophobicContact CD1-CE2 3.54Å; I56-F72 HydrophobicContact CD1-CG 4.35Å; I56-F72 HydrophobicContact CD1-CZ 3.49Å; I56-F72 VanDerWaalsContact CD1-CZ 3.49Å; I56-F72 HydrophobicContact CG1-CE1 4.35Å; I56-F72 HydrophobicContact CG1-CE2 4.38Å; I56-F72 HydrophobicContact CG1-CZ 3.93Å; I56-F72 HydrophobicContact CG2-CE2 4.31Å; I56-F72 HydrophobicContact CG2-CZ 4.14Å; I68-F72 HydrophobicContact CG2-CD2 3.84Å; I68-F72 HydrophobicContact CG2-CE2 4.23Å; I68-F72 WeakPolarHBondContact O-CB 3.36Å; I68-F72 WeakPolarHBondContact O-CD2 3.41Å; I68-F72 PolarHBondContact O-N 3.01Å; R69-F72 PolarHBondContact O-N 3.33Å; V70-F72 PolarHBondContact O-N 2.77Å; F72-A74 PolarHBondContact O-N 2.78Å; F72-F75 PolarHBondContact O-N 2.79Å; F72-G76 PolarHBondContact O-N 2.9Å; F72-I78 HydrophobicContact CB-CD1 3.63Å; F72-F99 HydrophobicContact CB-CZ 4.01Å; F72-F99 HydrophobicContact CD1-CE2 4.24Å; F72-F99 AromaticContact CD1-CZ 3.92Å; F72-F99 HydrophobicContact CD1-CZ 3.92Å; F72-F99 HydrophobicContact CG-CZ 4.44Å; F72-A108 HydrophobicContact CD1-CB 4.1Å; F72-A108 HydrophobicContact CE1-CB 4.3Å; F72-M112 HydrophobicContact CE1-CB 4.04Å; F72-M112 HydrophobicContact CE1-CG 4.07Å; F72-M112 HydrophobicContact CE2-CE 4.29Å; F72-M112 HydrophobicContact CZ-CB 4.09Å; F72-M112 HydrophobicContact CZ-CE 4.33Å; F72-M112 HydrophobicContact CZ-CG 4.28Å; F72-I125 HydrophobicContact CE2-CD1 4.26Å; F72-I125 HydrophobicContact CZ-CD1 4.35Å; F72-V127 HydrophobicContact CE1-CG1 4.16Å; F72-V127 HydrophobicContact CE1-CG2 4.03Å; F72-V127 HydrophobicContact CZ-CG2 3.73Å
73S88.5Confident87.1Confident73 Ų7363.7 Ų63.751%0.5133%0.332SS..Hα-helixtrans-63.8-24.2178.3-175.60000112.6R69 V70 F75R69-S73 WeakPolarHBondContact O-CA 2.93Å; R69-S73 WeakPolarHBondContact O-CB 3.45Å; R69-S73 PolarHBondContact O-N 2.99Å; V70-S73 PolarHBondContact O-N 3.03Å; S73-F75 PolarHBondContact O-N 3.41Å
74A87.5Confident87.5Confident85 Ų8566.4 Ų66.470%0.70235%0.345SS*.THydrogen-bonded Turntrans-66.1-24.5175.200000112.7F72F72-A74 PolarHBondContact O-N 2.78Å
75F85.9Confident87.5Confident49 Ų4968.9 Ų68.922%0.21535%0.348CS..THydrogen-bonded Turntrans-100.6-13.4-175.3-55.2-76.6000113.3M71 F72 S73 A108 A111 M112M71-F75 WeakPolarHBondContact O-CE2 3.45Å; F72-F75 PolarHBondContact O-N 2.79Å; S73-F75 PolarHBondContact O-N 3.41Å; F75-A108 HydrophobicContact CB-CB 3.9Å; F75-A108 HydrophobicContact CG-CB 4.4Å; F75-A111 HydrophobicContact CD1-CB 3.82Å; F75-A111 HydrophobicContact CE1-CB 3.33Å; F75-A111 HydrophobicContact CZ-CB 4.06Å; F75-M112 HydrophobicContact CD2-CG 3.84Å; F75-M112 HydrophobicContact CD2-SD 4.32Å; F75-M112 HydrophobicContact CE1-CG 4.39Å; F75-M112 HydrophobicContact CE2-CE 4.3Å; F75-M112 HydrophobicContact CE2-CG 3.34Å; F75-M112 HydrophobicContact CE2-SD 3.28Å; F75-M112 WeakPolarHBondContact CE2-SD 3.48Å; F75-M112 HydrophobicContact CZ-CG 3.66Å; F75-M112 HydrophobicContact CZ-SD 3.4Å; F75-M112 WeakPolarHBondContact CZ-SD 3.43Å
76G86.1Confident87.3Confident13 Ų1366.1 Ų66.113%0.13434%0.339CS..SBendtrans167174.917600000114.2F72F72-G76 PolarHBondContact O-N 2.9Å
77Q88.6Confident86.9Confident138 Ų13866.7 Ų66.765%0.64535%0.348SS*.  trans-76.1126.1176.8-67.6-178.552.300110.5F99 S100 M104Q77-F99 WeakPolarHBondContact O-CA 3.47Å; Q77-F99 WeakPolarHBondContact O-CD1 3.34Å; Q77-S100 WeakPolarHBondContact CB-OG 3.47Å; Q77-S100 PolarHBondContact O-N 3.31Å; Q77-S100 PolarHBondContact O-OG 2.8Å; Q77-M104 PolarHBondContact N-SD 3.12Å
78I89.9Confident86.4Confident17 Ų1769.2 Ų69.29%0.08736%0.362CS..EExtended strand (participates in β ladder)trans-98.9114.3-178.5-60.4167.7000109R69 F72 E80 C81 V97 F99R69-I78 HydrophobicContact CB-CD1 4.33Å; R69-I78 HydrophobicContact CG-CD1 4.02Å; R69-I78 PolarHBondContact NH1-O 2.92Å; R69-I78 VanDerWaalsContact O-CD1 3.31Å; R69-I78 WeakPolarHBondContact O-CD1 3.12Å; F72-I78 HydrophobicContact CB-CD1 3.63Å; I78-E80 WeakPolarHBondContact CG2-O 3.24Å; I78-C81 HydrophobicContact CG2-CB 4.29Å; I78-V97 HydrophobicContact CD1-CG1 4.27Å; I78-V97 HydrophobicContact CG1-CG1 4.05Å; I78-V97 HydrophobicContact CG2-CG1 3.85Å; I78-F99 HydrophobicContact CG1-CD1 4.28Å; I78-F99 HydrophobicContact CG1-CE1 3.88Å; I78-F99 HydrophobicContact CG1-CZ 4.32Å
79E86.9Confident85.7Confident110 Ų11071 Ų7151%0.51438%0.382SS..EExtended strand (participates in β ladder)trans-75.2-48.3172.8-66.8-159.1145.300110.7W49 T98 S100W49-E79 WeakPolarHBondContact CH2-OE2 3.23Å; W49-E79 WeakPolarHBondContact CZ3-OE2 3.46Å; E79-T98 PolarHBondContact N-O 3.13Å; E79-S100 WeakPolarHBondContact CG-OG 3.47Å
80E83.9Confident85.3Confident84 Ų8472.1 Ų72.139%0.39339%0.394SS..EExtended strand (participates in β ladder)trans-135.2136.1-175.7-167.8-175.4-133.800110.2I78 V97 T98I78-E80 WeakPolarHBondContact CG2-O 3.24Å; E80-V97 CarbonylContact O-C 3.53Å; E80-V97 WeakPolarHBondContact O-CA 3.25Å; E80-T98 PolarHBondContact N-O 3.32Å; E80-T98 PolarHBondContact O-N 2.85Å
81C87.8Confident84.9Confident12 Ų1267.9 Ų67.98%0.08137%0.369CS..EExtended strand (participates in β ladder)trans-124.9140.7165.2560000106.6E65 R69 I78 F96 V97E65-C81 VanDerWaalsContact CD-O 3.29Å; E65-C81 HydrophobicContact CG-CB 4.01Å; R69-C81 PolarHBondContact NH2-SG 3.28Å; R69-C81 VanDerWaalsContact NH2-SG 3.39Å; I78-C81 HydrophobicContact CG2-CB 4.29Å; C81-F96 CarbonylContact C-O 3.5Å; C81-F96 WeakPolarHBondContact CA-O 3.3Å; C81-V97 HydrophobicContact CB-CG2 4.23Å
82R87.5Confident84.7Confident153 Ų15373.6 Ų73.658%0.57739%0.388SS*.EExtended strand (participates in β ladder)trans-149122.4175.8177.8172.5-87.8-178.4-4.9110.2E65 A95 F96E65-R82 WeakPolarHBondContact OE2-CA 3.44Å; R82-A95 CarbonylContact O-C 3.51Å; R82-A95 WeakPolarHBondContact O-CA 3.38Å; R82-F96 PolarHBondContact N-O 2.89Å; R82-F96 PolarHBondContact O-N 3.33Å
83I89.4Confident84.6Confident15 Ų1574 Ų748%0.07739%0.392CS..EExtended strand (participates in β ladder)trans-85.1136.8173.4-71.8165.5000110.8C63 E65 I68 R85 A95C63-I83 WeakPolarHBondContact O-CD1 3.19Å; E65-I83 HydrophobicContact CB-CD1 4.37Å; E65-I83 HydrophobicContact CG-CD1 4.09Å; E65-I83 HydrophobicContact CG-CG1 3.99Å; E65-I83 PolarHBondContact OE2-N 3.45Å; I68-I83 HydrophobicContact CD1-CD1 3.9Å; I68-I83 HydrophobicContact CD1-CG1 3.79Å; I83-R85 HydrophobicContact CG2-CG 4.28Å; I83-R85 PolarHBondContact O-N 3.11Å; I83-A95 HydrophobicContact CG1-CB 3.91Å
84L86.4Confident84.6Confident70 Ų7071.7 Ų71.737%0.36638%0.375SS..EExtended strand (participates in β ladder)trans-83.5109.1173.7-140.270.2000109.3R92 C94 F96L84-R92 WeakPolarHBondContact O-CB 3.45Å; L84-R92 PolarHBondContact O-N 2.76Å; L84-C94 HydrophobicContact CB-CB 4.3Å; L84-C94 WeakPolarHBondContact CB-O 3.42Å; L84-C94 PolarHBondContact N-O 2.79Å; L84-F96 HydrophobicContact CD1-CD2 4.17Å; L84-F96 HydrophobicContact CD1-CE2 3.86Å; L84-F96 HydrophobicContact CD2-CE2 4.35Å
85R87.6Confident84.7Confident133 Ų13367.7 Ų67.750%0.50234%0.342SS..EExtended strand (participates in β ladder)trans-96142.9175.3-61.7179.2-174.4-106.5-2.7110.1N64 I83N64-R85 PolarHBondContact OD1-NH2 2.81Å; I83-R85 HydrophobicContact CG2-CG 4.28Å; I83-R85 PolarHBondContact O-N 3.11Å
86G81.8Confident84.9Confident13 Ų1367.6 Ų67.613%0.13434%0.342CS..  trans-72.4171.3174.900000111.5D88 G89 L90G86-D88 PolarHBondContact O-N 2.82Å; G86-G89 PolarHBondContact O-N 2.74Å; G86-L90 PolarHBondContact N-O 2.82Å
87P80.4Confident85.2Confident122 Ų12267 Ų6779%0.79234%0.335SS*.THydrogen-bonded Turntrans-58-25.9173.324.2-32.3000112.5G89P87-G89 PolarHBondContact O-N 2.98Å
88D77.8Confident85.1Confident131 Ų13160.4 Ų60.470%0.70131%0.305SS*.THydrogen-bonded Turntrans-81.77.7177.8-41.1-54.5000113.2G86 L90G86-D88 PolarHBondContact O-N 2.82Å; D88-L90 HydrophobicContact CB-CD1 4.27Å; D88-L90 PolarHBondContact O-N 2.98Å
89G73.7Confident85.1Confident43 Ų4359.6 Ų59.644%0.44330%0.301SS..SBendtrans73.9-13-176.800000115.1G86 P87G86-G89 PolarHBondContact O-N 2.74Å; P87-G89 PolarHBondContact O-N 2.98Å
90L79.5Confident85.2Confident113 Ų11356.1 Ų56.159%0.59229%0.288SS*.SBendtrans-69.2136.7176-68.4163.7000111.4G86 D88 R92G86-L90 PolarHBondContact N-O 2.82Å; D88-L90 HydrophobicContact CB-CD1 4.27Å; D88-L90 PolarHBondContact O-N 2.98Å; L90-R92 PolarHBondContact O-N 3.47Å
91S81.9Confident85.3Confident9 Ų954.7 Ų54.76%0.06329%0.285CS..EExtended strand (participates in β ladder)trans-59.4128.3173.3-70.40000110.5K61 G93K61-S91 WeakPolarHBondContact CG-O 3.48Å; S91-G93 PolarHBondContact O-N 2.78Å; S91-G93 VanDerWaalsContact O-N 3.11Å
92R81.2Confident85.1Confident162 Ų16259.6 Ų59.661%0.61130%0.302SS*.EExtended strand (participates in β ladder)trans-73.53.6177.2-65.3-165.366.7102.42113.4L84 L90 C94L84-R92 WeakPolarHBondContact O-CB 3.45Å; L84-R92 PolarHBondContact O-N 2.76Å; L90-R92 PolarHBondContact O-N 3.47Å; R92-C94 PolarHBondContact O-N 2.89Å
93G84.2Confident85.2Confident8 Ų855.5 Ų55.58%0.08230%0.301CS..EExtended strand (participates in β ladder)trans6825.2-172.100000112.9G57 M58 V59 S91G57-G93 CarbonylContact C-O 3.49Å; M58-G93 PolarHBondContact N-O 3.01Å; V59-G93 PolarHBondContact N-O 2.86Å; V59-G93 WeakPolarHBondContact O-CA 3.46Å; S91-G93 PolarHBondContact O-N 2.78Å; S91-G93 VanDerWaalsContact O-N 3.11Å
94C88.2Confident85.2Confident25 Ų2557.2 Ų57.217%0.16931%0.31CS..EExtended strand (participates in β ladder)trans-131.6142.9177.6-56.10000109.9F55 I56 L84 R92F55-C94 HydrophobicContact CE2-CB 3.73Å; F55-C94 HydrophobicContact CZ-CB 3.88Å; I56-C94 CarbonylContact O-C 3.58Å; I56-C94 VanDerWaalsContact O-CA 3.23Å; I56-C94 WeakPolarHBondContact O-CA 3.4Å; L84-C94 HydrophobicContact CB-CB 4.3Å; L84-C94 WeakPolarHBondContact CB-O 3.42Å; L84-C94 PolarHBondContact N-O 2.79Å; R92-C94 PolarHBondContact O-N 2.89Å
95A90.1Very high85.3Confident1 Ų153.9 Ų53.91%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-138.9157.1176.600000110.9I56 I68 R82 I83I56-A95 HydrophobicContact CB-CB 4.47Å; I56-A95 PolarHBondContact N-O 3.49Å; I56-A95 PolarHBondContact O-N 2.76Å; I68-A95 HydrophobicContact CD1-CB 3.41Å; I68-A95 VanDerWaalsContact CD1-CB 3.41Å; R82-A95 CarbonylContact O-C 3.51Å; R82-A95 WeakPolarHBondContact O-CA 3.38Å; I83-A95 HydrophobicContact CG1-CB 3.91Å
96F90.9Very high85.3Confident47 Ų4751.2 Ų51.221%0.20629%0.285CS..EExtended strand (participates in β ladder)trans-111.7133.1168.3-71.1-74.4000108.9K53 L54 F55 C81 R82 L84 A130K53-F96 HydrophobicContact CD-CD1 4.5Å; K53-F96 HydrophobicContact CG-CD1 4.43Å; L54-F96 WeakPolarHBondContact O-CA 3.29Å; F55-F96 HydrophobicContact CB-CD1 4.3Å; F55-F96 HydrophobicContact CB-CE1 4.01Å; F55-F96 HydrophobicContact CD2-CD1 4.2Å; F55-F96 AromaticContact CD2-CE1 3.6Å; F55-F96 HydrophobicContact CD2-CE1 3.6Å; F55-F96 HydrophobicContact CD2-CE2 4.47Å; F55-F96 AromaticContact CD2-CZ 3.76Å; F55-F96 HydrophobicContact CD2-CZ 3.76Å; F55-F96 HydrophobicContact CE2-CZ 4.36Å; F55-F96 HydrophobicContact CG-CE1 4.29Å; C81-F96 CarbonylContact C-O 3.5Å; C81-F96 WeakPolarHBondContact CA-O 3.3Å; R82-F96 PolarHBondContact N-O 2.89Å; R82-F96 PolarHBondContact O-N 3.33Å; L84-F96 HydrophobicContact CD1-CD2 4.17Å; L84-F96 HydrophobicContact CD1-CE2 3.86Å; L84-F96 HydrophobicContact CD2-CE2 4.35Å; F96-A130 HydrophobicContact CD1-CB 3.97Å; F96-A130 HydrophobicContact CE1-CB 3.87Å
97V90.5Very high85.7Confident0 Ų054.6 Ų54.60%030%0.3CS..EExtended strand (participates in β ladder)trans-129.1131.2176.1172.20000108.5K53 L54 I56 I68 I78 E80 C81 F99K53-V97 CarbonylContact C-O 3.55Å; K53-V97 WeakPolarHBondContact CA-O 3.48Å; L54-V97 PolarHBondContact N-O 3.41Å; L54-V97 PolarHBondContact O-N 2.78Å; I56-V97 HydrophobicContact CD1-CB 3.84Å; I56-V97 HydrophobicContact CD1-CG2 3.36Å; I68-V97 HydrophobicContact CG2-CG2 3.68Å; I78-V97 HydrophobicContact CD1-CG1 4.27Å; I78-V97 HydrophobicContact CG1-CG1 4.05Å; I78-V97 HydrophobicContact CG2-CG1 3.85Å; E80-V97 CarbonylContact O-C 3.53Å; E80-V97 WeakPolarHBondContact O-CA 3.25Å; C81-V97 HydrophobicContact CB-CG2 4.23Å; V97-F99 HydrophobicContact CG1-CD2 4.15Å; V97-F99 HydrophobicContact CG1-CE2 3.77Å; V97-F99 HydrophobicContact CG1-CZ 4.2Å
98T88.4Confident86.2Confident1 Ų148.8 Ų48.81%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-113.3117.4-179.6-52.30000108.5W49 R52 E79 E80W49-T98 HydrophobicContact CE3-CG2 3.51Å; W49-T98 HydrophobicContact CZ3-CG2 3.58Å; R52-T98 HydrophobicContact CB-CG2 4.48Å; E79-T98 PolarHBondContact N-O 3.13Å; E80-T98 PolarHBondContact N-O 3.32Å; E80-T98 PolarHBondContact O-N 2.85Å
99F89.9Confident86.8Confident0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-88.8152.9176.7-77.3-84.6000111.7R52 L54 F72 Q77 I78 V97 T101 M104 A105 A108R52-F99 WeakPolarHBondContact CB-O 2.93Å; R52-F99 PolarHBondContact O-N 3.19Å; L54-F99 HydrophobicContact CD1-CD2 3.95Å; L54-F99 HydrophobicContact CD1-CE2 3.64Å; L54-F99 HydrophobicContact CG-CD2 4.26Å; L54-F99 HydrophobicContact CG-CE2 4.35Å; F72-F99 HydrophobicContact CB-CZ 4.01Å; F72-F99 HydrophobicContact CD1-CE2 4.24Å; F72-F99 AromaticContact CD1-CZ 3.92Å; F72-F99 HydrophobicContact CD1-CZ 3.92Å; F72-F99 HydrophobicContact CG-CZ 4.44Å; Q77-F99 WeakPolarHBondContact O-CA 3.47Å; Q77-F99 WeakPolarHBondContact O-CD1 3.34Å; I78-F99 HydrophobicContact CG1-CD1 4.28Å; I78-F99 HydrophobicContact CG1-CE1 3.88Å; I78-F99 HydrophobicContact CG1-CZ 4.32Å; V97-F99 HydrophobicContact CG1-CD2 4.15Å; V97-F99 HydrophobicContact CG1-CE2 3.77Å; V97-F99 HydrophobicContact CG1-CZ 4.2Å; F99-T101 PolarHBondContact O-N 2.95Å; F99-M104 HydrophobicContact CB-CB 4.29Å; F99-M104 HydrophobicContact CD1-CB 3.9Å; F99-M104 HydrophobicContact CG-CB 4.26Å; F99-A105 HydrophobicContact CB-CB 4.2Å; F99-A105 HydrophobicContact CD2-CB 3.95Å; F99-A105 HydrophobicContact CG-CB 4.33Å; F99-A108 HydrophobicContact CE2-CB 3.83Å; F99-A108 HydrophobicContact CZ-CB 3.75Å
100S88.4Confident87.5Confident36 Ų3650.3 Ų50.325%0.25225%0.252SS..SBendtrans-63.2-29.4174.5-50.50000112.6Q77 E79Q77-S100 WeakPolarHBondContact CB-OG 3.47Å; Q77-S100 PolarHBondContact O-N 3.31Å; Q77-S100 PolarHBondContact O-OG 2.8Å; E79-S100 WeakPolarHBondContact CG-OG 3.47Å
101T85Confident87.9Confident54 Ų5447 Ų4733%0.33124%0.24SC..SBendtrans-132.5149.8-179.8720000112.5F99 A103 M104 A105F99-T101 PolarHBondContact O-N 2.95Å; T101-A103 VanDerWaalsContact C-N 3.33Å; T101-A103 PolarHBondContact O-N 3.39Å; T101-M104 HydrophobicContact CG2-CE 4.19Å; T101-M104 HydrophobicContact CG2-SD 4.23Å; T101-M104 PolarHBondContact O-N 3.48Å; T101-M104 WeakPolarHBondContact OG1-CB 3.45Å; T101-M104 WeakPolarHBondContact OG1-CG 3.12Å; T101-M104 PolarHBondContact OG1-N 3Å; T101-M104 PolarHBondContact OG1-SD 3.07Å; T101-A105 PolarHBondContact O-N 2.94Å
102R84.6Confident88Confident115 Ų11546.7 Ų46.743%0.43424%0.238SC..Hα-helixtrans-63.8-37.5175.7175.8178.9-174-168.32.8112.1Q51 A105 Q106Q51-R102 HydrophobicContact CB-CG 4.03Å; Q51-R102 VanDerWaalsContact CD-CZ 3.48Å; Q51-R102 WeakPolarHBondContact O-CG 3.48Å; R102-A105 WeakPolarHBondContact O-CB 3.34Å; R102-A105 PolarHBondContact O-N 3.31Å; R102-Q106 HydrophobicContact CG-CG 4.49Å; R102-Q106 WeakPolarHBondContact O-CG 3.46Å; R102-Q106 PolarHBondContact O-N 3.34Å
103A88.2Confident88.2Confident67 Ų6741.7 Ų41.755%0.55422%0.222SC*.Hα-helixtrans-63-42.3-179.900000111.6T101 A105 Q106 N107T101-A103 VanDerWaalsContact C-N 3.33Å; T101-A103 PolarHBondContact O-N 3.39Å; A103-A105 VanDerWaalsContact C-N 3.34Å; A103-A105 PolarHBondContact O-N 2.89Å; A103-Q106 PolarHBondContact O-N 3.38Å; A103-N107 PolarHBondContact O-N 2.89Å
104M89.5Confident88.2Confident52 Ų5247.3 Ų47.326%0.25625%0.246SC..Hα-helixtrans-60.9-43.6172.9-71165.7-169.800111.4Q77 F99 T101 Q106 N107 A108Q77-M104 PolarHBondContact N-SD 3.12Å; F99-M104 HydrophobicContact CB-CB 4.29Å; F99-M104 HydrophobicContact CD1-CB 3.9Å; F99-M104 HydrophobicContact CG-CB 4.26Å; T101-M104 HydrophobicContact CG2-CE 4.19Å; T101-M104 HydrophobicContact CG2-SD 4.23Å; T101-M104 PolarHBondContact O-N 3.48Å; T101-M104 WeakPolarHBondContact OG1-CB 3.45Å; T101-M104 WeakPolarHBondContact OG1-CG 3.12Å; T101-M104 PolarHBondContact OG1-N 3Å; T101-M104 PolarHBondContact OG1-SD 3.07Å; M104-Q106 VanDerWaalsContact C-N 3.34Å; M104-Q106 PolarHBondContact O-N 2.88Å; M104-N107 PolarHBondContact O-N 3.48Å; M104-A108 WeakPolarHBondContact O-CB 3.42Å; M104-A108 PolarHBondContact O-N 2.77Å
105A88.6Confident87.7Confident0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-61.1-41.6176.500000112.2L54 F99 T101 R102 A103 A108 I109 F129L54-A105 HydrophobicContact CD1-CB 4.15Å; L54-A105 WeakPolarHBondContact CD1-O 3.11Å; L54-A105 HydrophobicContact CD2-CB 3.94Å; L54-A105 HydrophobicContact CG-CB 4.04Å; F99-A105 HydrophobicContact CB-CB 4.2Å; F99-A105 HydrophobicContact CD2-CB 3.95Å; F99-A105 HydrophobicContact CG-CB 4.33Å; T101-A105 PolarHBondContact O-N 2.94Å; R102-A105 WeakPolarHBondContact O-CB 3.34Å; R102-A105 PolarHBondContact O-N 3.31Å; A103-A105 VanDerWaalsContact C-N 3.34Å; A103-A105 PolarHBondContact O-N 2.89Å; A105-A108 PolarHBondContact O-N 3.1Å; A105-I109 WeakPolarHBondContact O-CG1 3.36Å; A105-I109 PolarHBondContact O-N 3.17Å; A105-F129 HydrophobicContact CB-CE1 4.31Å
106Q89Confident86.7Confident76 Ų7653.2 Ų53.236%0.35528%0.278SS..Hα-helixtrans-64.5-42174.6-75.3-179.8-44.400112.6R102 A103 M104 A108 I109 K110 F129R102-Q106 HydrophobicContact CG-CG 4.49Å; R102-Q106 WeakPolarHBondContact O-CG 3.46Å; R102-Q106 PolarHBondContact O-N 3.34Å; A103-Q106 PolarHBondContact O-N 3.38Å; M104-Q106 VanDerWaalsContact C-N 3.34Å; M104-Q106 PolarHBondContact O-N 2.88Å; Q106-A108 VanDerWaalsContact C-N 3.35Å; Q106-I109 PolarHBondContact O-N 2.81Å; Q106-K110 WeakPolarHBondContact O-CG 3.44Å; Q106-K110 PolarHBondContact O-N 3.19Å; Q106-F129 HydrophobicContact CG-CE2 4.48Å; Q106-F129 HydrophobicContact CG-CZ 3.7Å
107N90.1Very high85.8Confident85 Ų8555.2 Ų55.246%0.45529%0.294SS..Hα-helixtrans-64.3-42.7177.5-166.538.7000111.2A103 M104 I109 K110 A111A103-N107 PolarHBondContact O-N 2.89Å; M104-N107 PolarHBondContact O-N 3.48Å; N107-I109 PolarHBondContact O-N 3.35Å; N107-K110 PolarHBondContact O-N 3.3Å; N107-A111 WeakPolarHBondContact O-CB 3.41Å; N107-A111 PolarHBondContact O-N 3.14Å
108A90.3Very high84.7Confident0 Ų057.5 Ų57.50%031%0.305CS..Hα-helixtrans-60-42.8174.300000111.9L54 F72 F75 F99 M104 A105 Q106 M112L54-A108 HydrophobicContact CD1-CB 4.01Å; F72-A108 HydrophobicContact CD1-CB 4.1Å; F72-A108 HydrophobicContact CE1-CB 4.3Å; F75-A108 HydrophobicContact CB-CB 3.9Å; F75-A108 HydrophobicContact CG-CB 4.4Å; F99-A108 HydrophobicContact CE2-CB 3.83Å; F99-A108 HydrophobicContact CZ-CB 3.75Å; M104-A108 WeakPolarHBondContact O-CB 3.42Å; M104-A108 PolarHBondContact O-N 2.77Å; A105-A108 PolarHBondContact O-N 3.1Å; Q106-A108 VanDerWaalsContact C-N 3.35Å; A108-M112 WeakPolarHBondContact O-CA 3.33Å; A108-M112 WeakPolarHBondContact O-CB 3.4Å; A108-M112 PolarHBondContact O-N 3.32Å
109I90.6Very high83.3Confident31 Ų3166.3 Ų66.316%0.15935%0.346CS..Hα-helixtrans-60.4-50.5173.5-65.4162.5000110.3L54 A105 Q106 N107 A111 H113 V127 F129L54-I109 HydrophobicContact CD1-CG1 4Å; L54-I109 HydrophobicContact CD2-CD1 3.56Å; L54-I109 HydrophobicContact CD2-CG1 3.8Å; A105-I109 WeakPolarHBondContact O-CG1 3.36Å; A105-I109 PolarHBondContact O-N 3.17Å; Q106-I109 PolarHBondContact O-N 2.81Å; N107-I109 PolarHBondContact O-N 3.35Å; I109-A111 VanDerWaalsContact C-N 3.33Å; I109-A111 PolarHBondContact O-N 3.18Å; I109-H113 HydrophobicContact CG2-CB 4.25Å; I109-H113 WeakPolarHBondContact O-CB 3.46Å; I109-H113 PolarHBondContact O-N 3.11Å; I109-V127 HydrophobicContact CG1-CG1 3.86Å; I109-F129 HydrophobicContact CD1-CD1 4.16Å; I109-F129 HydrophobicContact CD1-CD2 3.7Å; I109-F129 HydrophobicContact CD1-CE1 3.88Å; I109-F129 HydrophobicContact CD1-CE2 3.42Å; I109-F129 VanDerWaalsContact CD1-CE2 3.42Å; I109-F129 HydrophobicContact CD1-CG 4.06Å; I109-F129 HydrophobicContact CD1-CZ 3.52Å
110K88.4Confident82Confident175 Ų17570.5 Ų70.576%0.76139%0.389SS*.Hα-helixtrans-61.4-40.3-175.9-73.4177.9-179.3-175.80113.1Q106 N107Q106-K110 WeakPolarHBondContact O-CG 3.44Å; Q106-K110 PolarHBondContact O-N 3.19Å; N107-K110 PolarHBondContact O-N 3.3Å
111A87.3Confident80.7Confident42 Ų4270.4 Ų70.435%0.34739%0.388SS..Hα-helixtrans-85.2-36.1-176.800000112.9F75 N107 I109 S115F75-A111 HydrophobicContact CD1-CB 3.82Å; F75-A111 HydrophobicContact CE1-CB 3.33Å; F75-A111 HydrophobicContact CZ-CB 4.06Å; N107-A111 WeakPolarHBondContact O-CB 3.41Å; N107-A111 PolarHBondContact O-N 3.14Å; I109-A111 VanDerWaalsContact C-N 3.33Å; I109-A111 PolarHBondContact O-N 3.18Å; A111-S115 WeakPolarHBondContact O-CB 3.08Å; A111-S115 PolarHBondContact O-OG 2.81Å
112M85.2Confident79.9Confident4 Ų474.2 Ų74.22%0.0242%0.417CS..Hα-helixtrans-98.9-24.4-171.8-64.2-65.3-7300114.1M71 F72 F75 A108 Q114 S115 I125 V127M71-M112 HydrophobicContact CE-CE 3.16Å; M71-M112 HydrophobicContact CG-CE 3.6Å; M71-M112 HydrophobicContact SD-CE 4.19Å; F72-M112 HydrophobicContact CE1-CB 4.04Å; F72-M112 HydrophobicContact CE1-CG 4.07Å; F72-M112 HydrophobicContact CE2-CE 4.29Å; F72-M112 HydrophobicContact CZ-CB 4.09Å; F72-M112 HydrophobicContact CZ-CE 4.33Å; F72-M112 HydrophobicContact CZ-CG 4.28Å; F75-M112 HydrophobicContact CD2-CG 3.84Å; F75-M112 HydrophobicContact CD2-SD 4.32Å; F75-M112 HydrophobicContact CE1-CG 4.39Å; F75-M112 HydrophobicContact CE2-CE 4.3Å; F75-M112 HydrophobicContact CE2-CG 3.34Å; F75-M112 HydrophobicContact CE2-SD 3.28Å; F75-M112 WeakPolarHBondContact CE2-SD 3.48Å; F75-M112 HydrophobicContact CZ-CG 3.66Å; F75-M112 HydrophobicContact CZ-SD 3.4Å; F75-M112 WeakPolarHBondContact CZ-SD 3.43Å; A108-M112 WeakPolarHBondContact O-CA 3.33Å; A108-M112 WeakPolarHBondContact O-CB 3.4Å; A108-M112 PolarHBondContact O-N 3.32Å; M112-Q114 PolarHBondContact O-N 3.45Å; M112-Q114 VanDerWaalsContact O-N 3.17Å; M112-S115 VanDerWaalsContact C-OG 3.27Å; M112-S115 WeakPolarHBondContact CA-OG 3.08Å; M112-S115 WeakPolarHBondContact O-CB 3.44Å; M112-S115 PolarHBondContact O-N 3.4Å; M112-S115 VanDerWaalsContact O-N 3.13Å; M112-S115 PolarHBondContact O-OG 2.89Å; M112-I125 WeakPolarHBondContact O-CG2 3.36Å; M112-V127 HydrophobicContact CB-CG2 3.9Å
113H85.9Confident79.6Confident56 Ų5671.3 Ų71.326%0.25942%0.415SS..THydrogen-bonded Turntrans-60.8120.9179.7-17282.7000110.7I109 S115 V127I109-H113 HydrophobicContact CG2-CB 4.25Å; I109-H113 WeakPolarHBondContact O-CB 3.46Å; I109-H113 PolarHBondContact O-N 3.11Å; H113-S115 PolarHBondContact O-N 3.36Å; H113-V127 HydrophobicContact CB-CB 4.43Å; H113-V127 PolarHBondContact ND1-N 3.23Å; H113-V127 PolarHBondContact ND1-O 3.07Å
114Q82.4Confident79.4Confident127 Ų12770 Ų7059%0.59340%0.401SS*.THydrogen-bonded Turntrans59.911.6-178.1-61.2173.4-24.100115.3M112 P124 I125M112-Q114 PolarHBondContact O-N 3.45Å; M112-Q114 VanDerWaalsContact O-N 3.17Å; Q114-P124 HydrophobicContact CB-CB 4.46Å; Q114-P124 HydrophobicContact CB-CG 4.22Å; Q114-P124 HydrophobicContact CG-CG 4.21Å; Q114-I125 WeakPolarHBondContact CA-O 3.27Å; Q114-I125 PolarHBondContact N-O 2.78Å
115S79.1Confident79.4Confident60 Ų6067.7 Ų67.742%0.4239%0.389SS..THydrogen-bonded Turntrans-81.2-33-174.668.10000114.1A111 M112 H113A111-S115 WeakPolarHBondContact O-CB 3.08Å; A111-S115 PolarHBondContact O-OG 2.81Å; M112-S115 VanDerWaalsContact C-OG 3.27Å; M112-S115 WeakPolarHBondContact CA-OG 3.08Å; M112-S115 WeakPolarHBondContact O-CB 3.44Å; M112-S115 PolarHBondContact O-N 3.4Å; M112-S115 VanDerWaalsContact O-N 3.13Å; M112-S115 PolarHBondContact O-OG 2.89Å; H113-S115 PolarHBondContact O-N 3.36Å
116Q67.6Low79.4Confident90 Ų9069.6 Ų69.642%0.42140%0.4SS..  trans-130.7126.4-174.2-67.3-169.811.800110.5I125Q116-I125 HydrophobicContact CB-CG2 4.43Å; Q116-I125 WeakPolarHBondContact O-CB 3.27Å; Q116-I125 WeakPolarHBondContact O-CG2 3.16Å; Q116-I125 PolarHBondContact O-N 2.92Å
117T72.8Confident79.5Confident89 Ų8966 Ų6655%0.54638%0.383SS..  trans-97.9111.6167.2-53.80000107.6C121 P124T117-C121 VanDerWaalsContact CG2-O 3.31Å; T117-C121 WeakPolarHBondContact CG2-O 3.3Å; T117-P124 WeakPolarHBondContact OG1-CB 3.49Å
118M67Low79.4Confident48 Ų4867.9 Ų67.924%0.23639%0.388CS..  trans-73149.6179.5-64.5-64.3-73.200111C63 M71 G120 C121C63-M118 VanDerWaalsContact SG-CE 3.52Å; M71-M118 HydrophobicContact CE-SD 4.35Å; M118-G120 PolarHBondContact O-N 3.16Å; M118-C121 PolarHBondContact O-N 3.38Å; M118-C121 VanDerWaalsContact O-N 3.12Å
119E60.7Low79.4Confident185 Ų18571.4 Ų71.486%0.86440%0.403SS*.THydrogen-bonded Turntrans-56.8124.1176.8-69.5-170.1164.300111.5S60S60-E119 PolarHBondContact OG-O 3.3Å
120G62.2Low79.1Confident88 Ų8870.3 Ų70.391%0.90740%0.399SS*.THydrogen-bonded Turntrans92.14.5-179.100000115.7M118M118-G120 PolarHBondContact O-N 3.16Å
121C61.4Low78.6Confident34 Ų3468 Ų6823%0.2340%0.395CS..  trans-110.6130.6174.2-66.40000111.1T117 M118 S123T117-C121 VanDerWaalsContact CG2-O 3.31Å; T117-C121 WeakPolarHBondContact CG2-O 3.3Å; M118-C121 PolarHBondContact O-N 3.38Å; M118-C121 VanDerWaalsContact O-N 3.12Å; C121-S123 PolarHBondContact O-N 3.14Å
122S67.4Low77.9Confident134 Ų13467.9 Ų67.994%0.93739%0.39SS*.SBendtrans-74.1-7.6177.1-540000114
123S78.3Confident76.9Confident55 Ų5576.3 Ų76.339%0.38543%0.429SS..SBendtrans-134146.5-174.9-58.40000110.4C121C121-S123 PolarHBondContact O-N 3.14Å
124P84.6Confident75.9Confident40 Ų4080 Ų8026%0.2645%0.445SS..  trans-69.5160.1176.732.4-37.5000111.3M58 Q114 T117 V126M58-P124 WeakPolarHBondContact CB-O 3.36Å; Q114-P124 HydrophobicContact CB-CB 4.46Å; Q114-P124 HydrophobicContact CB-CG 4.22Å; Q114-P124 HydrophobicContact CG-CG 4.21Å; T117-P124 WeakPolarHBondContact OG1-CB 3.49Å; P124-V126 PolarHBondContact O-N 2.94Å
125I88.2Confident75.4Confident2 Ų277.7 Ų77.71%0.0144%0.436CS..  trans-58.8135.4-178.5-162.6170.9000111.4I56 V59 M71 F72 M112 Q114 Q116I56-I125 HydrophobicContact CG2-CD1 3.53Å; I56-I125 HydrophobicContact CG2-CG1 3.63Å; V59-I125 HydrophobicContact CG2-CD1 4.12Å; V59-I125 HydrophobicContact CG2-CG1 4.18Å; M71-I125 HydrophobicContact CE-CD1 3.58Å; F72-I125 HydrophobicContact CE2-CD1 4.26Å; F72-I125 HydrophobicContact CZ-CD1 4.35Å; M112-I125 WeakPolarHBondContact O-CG2 3.36Å; Q114-I125 WeakPolarHBondContact CA-O 3.27Å; Q114-I125 PolarHBondContact N-O 2.78Å; Q116-I125 HydrophobicContact CB-CG2 4.43Å; Q116-I125 WeakPolarHBondContact O-CB 3.27Å; Q116-I125 WeakPolarHBondContact O-CG2 3.16Å; Q116-I125 PolarHBondContact O-N 2.92Å
126V88.6Confident75.1Confident40 Ų4081.2 Ų81.224%0.24244%0.444CS..EExtended strand (participates in β ladder)trans-110.7105.7-177.51790000109.1I56 G57 M58 P124 K128I56-V126 CarbonylContact C-O 3.46Å; I56-V126 VanDerWaalsContact CA-O 3.3Å; I56-V126 WeakPolarHBondContact CA-O 3.46Å; G57-V126 PolarHBondContact N-O 2.98Å; G57-V126 PolarHBondContact O-N 3.2Å; M58-V126 HydrophobicContact CB-CG2 4.37Å; M58-V126 HydrophobicContact CG-CG2 3.88Å; P124-V126 PolarHBondContact O-N 2.94Å; V126-K128 HydrophobicContact CG1-CD 4.5Å; V126-K128 HydrophobicContact CG1-CG 4.42Å
127V90.6Very high75.5Confident0 Ų083.6 Ų83.60%046%0.455CS..EExtended strand (participates in β ladder)trans-104.1121.5175.5-1680000109.8L54 F55 I56 F72 I109 M112 H113L54-V127 HydrophobicContact CB-CG1 4.28Å; L54-V127 HydrophobicContact CD1-CG1 3.7Å; F55-V127 WeakPolarHBondContact O-CA 3.06Å; I56-V127 HydrophobicContact CG1-CG1 4.36Å; I56-V127 HydrophobicContact CG2-CG2 4.4Å; F72-V127 HydrophobicContact CE1-CG1 4.16Å; F72-V127 HydrophobicContact CE1-CG2 4.03Å; F72-V127 HydrophobicContact CZ-CG2 3.73Å; I109-V127 HydrophobicContact CG1-CG1 3.86Å; M112-V127 HydrophobicContact CB-CG2 3.9Å; H113-V127 HydrophobicContact CB-CB 4.43Å; H113-V127 PolarHBondContact ND1-N 3.23Å; H113-V127 PolarHBondContact ND1-O 3.07Å
128K89.3Confident75.8Confident125 Ų12585.2 Ų85.254%0.54346%0.457SS..EExtended strand (participates in β ladder)trans-140.2164.5176.5-76.8-174167.1179.20110.1L54 F55 V126 A130L54-K128 CarbonylContact C-O 3.5Å; L54-K128 VanDerWaalsContact CA-O 3.25Å; L54-K128 WeakPolarHBondContact CA-O 3.49Å; F55-K128 PolarHBondContact N-O 2.97Å; F55-K128 PolarHBondContact O-N 2.58Å; V126-K128 HydrophobicContact CG1-CD 4.5Å; V126-K128 HydrophobicContact CG1-CG 4.42Å; K128-A130 PolarHBondContact O-N 3.1Å
129F89.3Confident76.4Confident74 Ų7491 Ų9133%0.32548%0.476SS..EExtended strand (participates in β ladder)trans-59.3139.7165.8-70.9-69000109.9Q51 L54 A105 Q106 I109 D131Q51-F129 VanDerWaalsContact O-CE1 3.24Å; Q51-F129 WeakPolarHBondContact O-CE1 3.49Å; L54-F129 HydrophobicContact CD2-CD1 3.63Å; L54-F129 HydrophobicContact CD2-CE1 3.83Å; L54-F129 HydrophobicContact CD2-CG 4.31Å; A105-F129 HydrophobicContact CB-CE1 4.31Å; Q106-F129 HydrophobicContact CG-CE2 4.48Å; Q106-F129 HydrophobicContact CG-CZ 3.7Å; I109-F129 HydrophobicContact CD1-CD1 4.16Å; I109-F129 HydrophobicContact CD1-CD2 3.7Å; I109-F129 HydrophobicContact CD1-CE1 3.88Å; I109-F129 HydrophobicContact CD1-CE2 3.42Å; I109-F129 VanDerWaalsContact CD1-CE2 3.42Å; I109-F129 HydrophobicContact CD1-CG 4.06Å; I109-F129 HydrophobicContact CD1-CZ 3.52Å; F129-D131 PolarHBondContact O-N 3.21Å
130A84.8Confident77.5Confident9 Ų990.5 Ų90.57%0.07447%0.466CS..PPolyproline II helixtrans-71.6125177.800000109.4K53 F55 F96 K128 T132K53-A130 HydrophobicContact CB-CB 4.06Å; K53-A130 HydrophobicContact CD-CB 4.14Å; K53-A130 HydrophobicContact CG-CB 3.72Å; K53-A130 WeakPolarHBondContact O-CB 3.22Å; K53-A130 PolarHBondContact O-N 2.98Å; F55-A130 HydrophobicContact CB-CB 4.37Å; F96-A130 HydrophobicContact CD1-CB 3.97Å; F96-A130 HydrophobicContact CE1-CB 3.87Å; K128-A130 PolarHBondContact O-N 3.1Å; A130-T132 PolarHBondContact O-N 3.21Å
131D77.4Confident78.5Confident126 Ų12691.4 Ų91.467%0.67445%0.449SS*.PPolyproline II helixtrans-58.7131.7171.1-75-33.7000109.4F129F129-D131 PolarHBondContact O-N 3.21Å
132T73.7Confident79.4Confident40 Ų4096.5 Ų96.525%0.24547%0.47CS..PPolyproline II helixtrans-70.4156172.874.40000109.7P50 A130 K134 D135 K136P50-T132 HydrophobicContact CB-CG2 3.51Å; P50-T132 HydrophobicContact CG-CG2 4.41Å; A130-T132 PolarHBondContact O-N 3.21Å; T132-K134 PolarHBondContact O-N 3.25Å; T132-K134 PolarHBondContact OG1-N 3.36Å; T132-D135 WeakPolarHBondContact CB-OD2 3.35Å; T132-D135 PolarHBondContact O-N 3.2Å; T132-D135 PolarHBondContact OG1-N 2.68Å; T132-D135 PolarHBondContact OG1-OD2 3.21Å; T132-K136 PolarHBondContact O-N 2.92Å; T132-K136 VanDerWaalsContact O-N 3.1Å
133Q64.8Low80.1Confident180 Ų18095.6 Ų95.684%0.84145%0.451SS*.Hα-helixtrans-56.2-35.1170.2-86.6-163.928.700111.8K136 E137Q133-K136 PolarHBondContact O-N 3.49Å; Q133-E137 PolarHBondContact O-N 3.37Å
134K63.7Low80.4Confident134 Ų13498.7 Ų98.758%0.58346%0.459SS*.Hα-helixtrans-64.5-44.8177-69.2-176.8177.8178.80111.9T132 K136 E137 Q138T132-K134 PolarHBondContact O-N 3.25Å; T132-K134 PolarHBondContact OG1-N 3.36Å; K134-K136 VanDerWaalsContact C-N 3.32Å; K134-K136 PolarHBondContact O-N 3.42Å; K134-E137 PolarHBondContact O-N 2.84Å; K134-Q138 WeakPolarHBondContact O-CB 2.74Å; K134-Q138 PolarHBondContact O-N 3.06Å
135D71.6Confident80.1Confident78 Ų78101.9 Ų101.942%0.41747%0.474SS..Hα-helixtrans-60.6-42175.9-76.7-77.9000111.7T132 E137 Q138 R139T132-D135 WeakPolarHBondContact CB-OD2 3.35Å; T132-D135 PolarHBondContact O-N 3.2Å; T132-D135 PolarHBondContact OG1-N 2.68Å; T132-D135 PolarHBondContact OG1-OD2 3.21Å; D135-E137 VanDerWaalsContact C-N 3.31Å; D135-E137 PolarHBondContact O-N 2.82Å; D135-Q138 PolarHBondContact O-N 3.39Å; D135-R139 WeakPolarHBondContact O-CB 3.21Å; D135-R139 PolarHBondContact O-N 3.43Å
136K72.9Confident79.6Confident135 Ų135104 Ų10459%0.58749%0.492SS*.Hα-helixtrans-64.2-37.5178-167.4175.5-178.5179.60112T132 Q133 K134 R140T132-K136 PolarHBondContact O-N 2.92Å; T132-K136 VanDerWaalsContact O-N 3.1Å; Q133-K136 PolarHBondContact O-N 3.49Å; K134-K136 VanDerWaalsContact C-N 3.32Å; K134-K136 PolarHBondContact O-N 3.42Å; K136-R140 WeakPolarHBondContact O-CG 3.43Å; K136-R140 PolarHBondContact O-N 3.42Å; K136-R140 VanDerWaalsContact O-N 3.12Å
137E76.9Confident79Confident139 Ų139108.2 Ų108.265%0.6551%0.509SS*.Hα-helixtrans-72.4-44.2176.4-171.7167.5-149.700111.9Q133 K134 D135 R139 R140 L141Q133-E137 PolarHBondContact O-N 3.37Å; K134-E137 PolarHBondContact O-N 2.84Å; D135-E137 VanDerWaalsContact C-N 3.31Å; D135-E137 PolarHBondContact O-N 2.82Å; E137-R139 VanDerWaalsContact C-N 3.32Å; E137-R139 PolarHBondContact O-N 3.12Å; E137-R140 WeakPolarHBondContact O-CB 3.14Å; E137-R140 PolarHBondContact O-N 2.97Å; E137-R140 VanDerWaalsContact O-N 3.16Å; E137-L141 PolarHBondContact O-N 3.26Å
138Q79.2Confident78.1Confident124 Ų124114 Ų11458%0.57954%0.536SS*.Hα-helixtrans-62.7-39.7175.9-170.5170.54.700111.7K134 D135 L141 Q142K134-Q138 WeakPolarHBondContact O-CB 2.74Å; K134-Q138 PolarHBondContact O-N 3.06Å; D135-Q138 PolarHBondContact O-N 3.39Å; Q138-L141 PolarHBondContact O-N 3.16Å; Q138-Q142 VanDerWaalsContact O-CB 3.31Å; Q138-Q142 WeakPolarHBondContact O-CB 3.45Å; Q138-Q142 PolarHBondContact O-N 3.42Å
139R79.6Confident77Confident170 Ų170114.2 Ų114.264%0.64254%0.54SS*.Hα-helixtrans-67.7-35175-166170.8-175-152.8-1112.4D135 E137 Q143D135-R139 WeakPolarHBondContact O-CB 3.21Å; D135-R139 PolarHBondContact O-N 3.43Å; E137-R139 VanDerWaalsContact C-N 3.32Å; E137-R139 PolarHBondContact O-N 3.12Å; R139-Q143 WeakPolarHBondContact O-CB 3.39Å; R139-Q143 PolarHBondContact O-N 3.29Å
140R82.2Confident75.8Confident174 Ų174117.1 Ų117.166%0.65756%0.555SS**Hα-helixtrans-65.2-46.4170.9-85.2-179.1165.2-175.4-5.9111.6K136 E137 Q142 Q143 Q144K136-R140 WeakPolarHBondContact O-CG 3.43Å; K136-R140 PolarHBondContact O-N 3.42Å; K136-R140 VanDerWaalsContact O-N 3.12Å; E137-R140 WeakPolarHBondContact O-CB 3.14Å; E137-R140 PolarHBondContact O-N 2.97Å; E137-R140 VanDerWaalsContact O-N 3.16Å; R140-Q142 VanDerWaalsContact C-N 3.32Å; R140-Q142 PolarHBondContact O-N 3.33Å; R140-Q143 PolarHBondContact O-N 2.96Å; R140-Q144 WeakPolarHBondContact O-CB 3.31Å; R140-Q144 PolarHBondContact O-N 2.85Å
141L84.4Confident74.7Confident106 Ų106123.4 Ų123.456%0.55558%0.582SS**Hα-helixtrans-63.2-41.5178.7-172.564.1000111E137 Q138 Q144 L145E137-L141 PolarHBondContact O-N 3.26Å; Q138-L141 PolarHBondContact O-N 3.16Å; L141-Q144 WeakPolarHBondContact O-CB 3.47Å; L141-Q144 PolarHBondContact O-N 2.88Å; L141-L145 PolarHBondContact O-N 3.35Å
142Q81.1Confident73.6Confident142 Ų142122.9 Ų122.966%0.66458%0.579SS**Hα-helixtrans-68.5-35.7177.1-170.1150.368.900112.6Q138 R140 Q144 L145 A146Q138-Q142 VanDerWaalsContact O-CB 3.31Å; Q138-Q142 WeakPolarHBondContact O-CB 3.45Å; Q138-Q142 PolarHBondContact O-N 3.42Å; R140-Q142 VanDerWaalsContact C-N 3.32Å; R140-Q142 PolarHBondContact O-N 3.33Å; Q142-Q144 VanDerWaalsContact C-N 3.33Å; Q142-L145 PolarHBondContact O-N 3.47Å; Q142-A146 VanDerWaalsContact O-CB 3.25Å; Q142-A146 WeakPolarHBondContact O-CB 3.43Å; Q142-A146 PolarHBondContact O-N 2.83Å
143Q81.8Confident72.9Confident115 Ų115126.6 Ų126.654%0.53760%0.598SS.*Hα-helixtrans-64.8-37.3169.7-88.6-179.5-20.900112.3R139 R140 A146 Q147R139-Q143 WeakPolarHBondContact O-CB 3.39Å; R139-Q143 PolarHBondContact O-N 3.29Å; R140-Q143 PolarHBondContact O-N 2.96Å; Q143-A146 PolarHBondContact O-N 3.47Å; Q143-Q147 WeakPolarHBondContact O-CG 3.25Å; Q143-Q147 PolarHBondContact O-N 2.91Å
144Q83.3Confident72.3Confident119 Ų119121.8 Ų121.856%0.55658%0.584SS**Hα-helixtrans-68.8-40.9177.6-157.1170.827.900111.4R140 L141 Q142 Q147 Q148R140-Q144 WeakPolarHBondContact O-CB 3.31Å; R140-Q144 PolarHBondContact O-N 2.85Å; L141-Q144 WeakPolarHBondContact O-CB 3.47Å; L141-Q144 PolarHBondContact O-N 2.88Å; Q142-Q144 VanDerWaalsContact C-N 3.33Å; Q144-Q147 PolarHBondContact O-N 3.47Å; Q144-Q148 PolarHBondContact O-N 3.3Å
145L79.1Confident71.6Confident108 Ų108118.9 Ų118.957%0.56559%0.585SS**Hα-helixtrans-66.2-39.4174-136.279.4000111.9L141 Q142 Q148 M149L141-L145 PolarHBondContact O-N 3.35Å; Q142-L145 PolarHBondContact O-N 3.47Å; L145-Q148 PolarHBondContact O-N 2.91Å; L145-M149 WeakPolarHBondContact O-CB 3.45Å; L145-M149 PolarHBondContact O-N 2.98Å
146A77.1Confident70.6Confident47 Ų47120.1 Ų120.139%0.38860%0.595SS.*Hα-helixtrans-66.6-38.8176.400000112.3Q142 Q143 Q148 M149 Q150Q142-A146 VanDerWaalsContact O-CB 3.25Å; Q142-A146 WeakPolarHBondContact O-CB 3.43Å; Q142-A146 PolarHBondContact O-N 2.83Å; Q143-A146 PolarHBondContact O-N 3.47Å; A146-Q148 VanDerWaalsContact C-N 3.34Å; A146-M149 PolarHBondContact O-N 3.49Å; A146-Q150 PolarHBondContact O-N 2.93Å
147Q77.2Confident69.4Low128 Ų128119.3 Ų119.360%0.59860%0.602SS**Hα-helixtrans-65.8-37.6172.7-79.3179.57.300112Q143 Q144 M149 Q150 Q151Q143-Q147 WeakPolarHBondContact O-CG 3.25Å; Q143-Q147 PolarHBondContact O-N 2.91Å; Q144-Q147 PolarHBondContact O-N 3.47Å; Q147-M149 VanDerWaalsContact C-N 3.35Å; Q147-Q150 PolarHBondContact O-N 2.86Å; Q147-Q151 PolarHBondContact O-N 3.2Å
148Q71.4Confident67.8Low121 Ų121124.7 Ų124.757%0.56562%0.616SS**Hα-helixtrans-65.4-38.5173.7-171.8171.345.800111.8Q144 L145 A146 Q151 L152Q144-Q148 PolarHBondContact O-N 3.3Å; L145-Q148 PolarHBondContact O-N 2.91Å; A146-Q148 VanDerWaalsContact C-N 3.34Å; Q148-Q151 PolarHBondContact O-N 2.94Å; Q148-L152 PolarHBondContact O-N 3.48Å
149M65.5Low66.2Low129 Ų129122 Ų12264%0.63562%0.622SS**Hα-helixtrans-74.5-28.4178-160.4146.273.700112.9L145 A146 Q147 L152 N153L145-M149 WeakPolarHBondContact O-CB 3.45Å; L145-M149 PolarHBondContact O-N 2.98Å; A146-M149 PolarHBondContact O-N 3.49Å; Q147-M149 VanDerWaalsContact C-N 3.35Å; M149-L152 PolarHBondContact O-N 2.89Å; M149-N153 PolarHBondContact O-N 2.9Å
150Q64Low64.1Low136 Ų136119 Ų11964%0.63663%0.626SS**Hα-helixtrans-69.5-33.2168.6-83.4175.8-4000112.6A146 Q147 N153 S154A146-Q150 PolarHBondContact O-N 2.93Å; Q147-Q150 PolarHBondContact O-N 2.86Å; Q150-N153 PolarHBondContact O-N 2.83Å; Q150-S154 PolarHBondContact O-N 3.01Å; Q150-S154 PolarHBondContact O-OG 3.43Å
151Q61.2Low61.9Low140 Ų140119.2 Ų119.265%0.65464%0.64SS**Hα-helixtrans-68.5-38.4171.6-80.3-178.68.700112.4Q147 Q148 N153 S154 A155Q147-Q151 PolarHBondContact O-N 3.2Å; Q148-Q151 PolarHBondContact O-N 2.94Å; Q151-N153 VanDerWaalsContact C-N 3.35Å; Q151-S154 WeakPolarHBondContact CA-OG 3.47Å; Q151-S154 PolarHBondContact O-N 3.33Å; Q151-S154 PolarHBondContact O-OG 3.15Å; Q151-A155 PolarHBondContact O-N 3.44Å
152L55.6Low59.8Low116 Ų116120.1 Ų120.161%0.60765%0.65SS**Hα-helixtrans-66-35.2172.8-83.4156000112.6Q148 M149 A155 T156Q148-L152 PolarHBondContact O-N 3.48Å; M149-L152 PolarHBondContact O-N 2.89Å; L152-A155 PolarHBondContact O-N 3.3Å; L152-T156 PolarHBondContact O-OG1 3.31Å
153N57.8Low58Low118 Ų118117.1 Ų117.163%0.63166%0.657SS**Hα-helixtrans-71.5-27.6171.4-88.9-20000113.4M149 Q150 Q151 A155M149-N153 PolarHBondContact O-N 2.9Å; Q150-N153 PolarHBondContact O-N 2.83Å; Q151-N153 VanDerWaalsContact C-N 3.35Å; N153-A155 VanDerWaalsContact C-N 3.34Å
154S52.9Low55.9Low79 Ų79119.9 Ų119.955%0.55268%0.675SS**Hα-helixtrans-76.1-21.2171.467.60000113.6Q150 Q151 T156Q150-S154 PolarHBondContact O-N 3.01Å; Q150-S154 PolarHBondContact O-OG 3.43Å; Q151-S154 WeakPolarHBondContact CA-OG 3.47Å; Q151-S154 PolarHBondContact O-N 3.33Å; Q151-S154 PolarHBondContact O-OG 3.15Å; S154-T156 VanDerWaalsContact C-N 3.25Å; S154-T156 PolarHBondContact O-N 3.5Å
155A48.7Very low53.9Low73 Ų73117.8 Ų117.860%0.60369%0.685SS**G310 helixtrans-75.8-11.9173.900000113.2Q151 L152 N153Q151-A155 PolarHBondContact O-N 3.44Å; L152-A155 PolarHBondContact O-N 3.3Å; N153-A155 VanDerWaalsContact C-N 3.34Å
156T51Low52.2Low103 Ų103116 Ų11663%0.63269%0.693SS**G310 helixtrans-87.6-6.6177.2-42.50000113.1L152 S154 W158L152-T156 PolarHBondContact O-OG1 3.31Å; S154-T156 VanDerWaalsContact C-N 3.25Å; S154-T156 PolarHBondContact O-N 3.5Å; T156-W158 VanDerWaalsContact C-N 3.31Å; T156-W158 PolarHBondContact O-N 3.35Å
157T46.9Very low50.2Low118 Ų118121.5 Ų121.572%0.72472%0.715SS**G310 helixtrans-82.3-2.9176.8-62.30000113.7G159T157-G159 PolarHBondContact O-N 2.83Å
158W43.7Very low48.5Very low253 Ų253120.3 Ų120.396%0.95872%0.717SS**G310 helixtrans-9735.3174.6-117.791.8000114.6T156T156-W158 VanDerWaalsContact C-N 3.31Å; T156-W158 PolarHBondContact O-N 3.35Å
159G45.5Very low47.2Very low68 Ų68121 Ų12170%0.70173%0.732SS**SBendtrans-15351.8177.500000113.6T157T157-G159 PolarHBondContact O-N 2.83Å
160S35.3Very low45.6Very low105 Ų105123.3 Ų123.373%0.73474%0.741SS**  trans-15074.7165.2-172.80000111.7
161L36.7Very low44.2Very low179 Ų179127.1 Ų127.194%0.93775%0.751SS**  trans-119.461.9157.1-95.8163.6000108.6
162T40.8Very low42.8Very low126 Ų126128.4 Ų128.477%0.77376%0.761SS**  trans-146.4112.9148.844.40000108L164T162-L164 PolarHBondContact O-N 3.27Å
163G43.5Very low41.7Very low79 Ų79127 Ų12781%0.81477%0.767SS**  trans-67115.3167.500000109.5
164L37.2Very low40.6Very low172 Ų172127.4 Ų127.490%0.90177%0.773SS**  trans-160.5113146.8-109.6147.3000106.5T162T162-L164 PolarHBondContact O-N 3.27Å
165G40.9Very low39.6Very low76 Ų76135.6 Ų135.678%0.78479%0.792SS**  trans-69.5157.6-175.100000112.9
166G44.3Very low38.7Very low70 Ų70138.3 Ų138.372%0.72280%0.801SS**  trans88.1132.5149.900000116.4
167L34.5Very low37.6Very low162 Ų162137.8 Ų137.885%0.84881%0.807SS**  trans10697.5152.6-51.8175.2000116.5
168T40.9Very low36.6Very low104 Ų104137 Ų13764%0.63881%0.812SS**  trans47.2132.8133.161.70000120.3Q170T168-Q170 PolarHBondContact O-N 3.02Å
169P44.5Very low35.9Very low136 Ų136129.9 Ų129.988%0.88381%0.807SS**  trans-81.1119.1163.932.7-26.7000109.6
170Q30.7Very low35.1Very low176 Ų176132.2 Ų132.282%0.82281%0.813SS**  trans-112.3137165.1-99.1-72.225.800109.9T168T168-Q170 PolarHBondContact O-N 3.02Å
171Y35.7Very low35.5Very low217 Ų217133.1 Ų133.185%0.85182%0.816SS**  trans-76.7152.5-168.4-140.7-98.8000112.1A173Y171-A173 PolarHBondContact O-N 2.62Å
172L32.3Very low35.1Very low167 Ų167129.5 Ų129.587%0.87481%0.812SS**  trans-50.2116.9-180-170.867.3000113.9
173A32.3Very low34.5Very low87 Ų87128.7 Ų128.772%0.71981%0.812SS**  trans-115.4115.2169.500000111.6Y171Y171-A173 PolarHBondContact O-N 2.62Å
174V33.2Very low33.7Very low126 Ų126132 Ų13276%0.76481%0.809SS**  trans21.2120.7143.4-176.10000118V176V174-V176 HydrophobicContact CG1-CG2 4.38Å
175R32.8Very low33.2Very low251 Ų251131 Ų13195%0.94780%0.803SS**  trans-135.2116.4145.7-73.2-165.1150.5-107.7-5.5111.5
176V30.2Very low32.5Very low130 Ų130133.3 Ų133.379%0.78880%0.802SS**  trans-92.8136.8167166.70000108.8V174V174-V176 HydrophobicContact CG1-CG2 4.38Å
177A28.3Very low31.8Very low92 Ų92134.8 Ų134.876%0.7680%0.802SS**  trans163.7102.1143.300000108.1
178A26Very low31.5Very low101 Ų101132.6 Ų132.684%0.83580%0.8SS**  81104.175.600000114.3
179A28.7Very low31Very low104 Ų104132.8 Ų132.886%0.8681%0.806SS**  trans175.3125134.800000111.3
180S27.4Very low30.3Very low117 Ų117131.7 Ų131.782%0.81880%0.801SS**  trans-95.4-170.3175-27.40000110.6
181P44.6Very low30.1Very low123 Ų123129.7 Ų129.780%0.79980%0.801SS**  cis-135.3156.7-20.134.9-17.2000113.9
182A28.2Very low29.9Very low104 Ų104129 Ų12986%0.8680%0.802SS**  trans-173.6138.9142.400000112.8
183S27.4Very low29.8Very low109 Ų109126.8 Ų126.876%0.76280%0.796SS**  trans-58.9146.3-174.3-39.10000117.1
184I26.8Very low29.6Very low149 Ų149130.8 Ų130.876%0.76480%0.799SS**  159113.5114.9-79.6170.9000111.2
185I28Very low29.8Very low149 Ų149131.1 Ų131.176%0.76479%0.792SS**  trans36.3119.8136.2-46.2174.7000118.4
186T25.5Very low29.7Very low125 Ų125126.6 Ų126.677%0.76779%0.787SS**  177.4126.4119.6-73.80000112.3
187S30Very low30Very low102 Ų102126.8 Ų126.871%0.71378%0.782SS**  trans2.4129.416358.10000121.6
188S28.1Very low30.3Very low115 Ų115130 Ų13080%0.80478%0.779SS**  -177.5132.912020.80000113.4
189S29.7Very low30.7Very low109 Ų109134.1 Ų134.176%0.76277%0.773SS**  trans28140.4138.1-46.50000122.9
190S30.2Very low31.1Very low113 Ų113136.6 Ų136.679%0.7977%0.771SS**  trans74.996.4139.648.80000120.1
191V27.1Very low31.6Very low134 Ų134139.4 Ų139.481%0.81278%0.776SS**  trans-153.3119.9141.3-178.70000107.7
192F30.4Very low31.6Very low202 Ų202140.5 Ų140.589%0.88677%0.771SS**  trans-162.9123.8141.4-110.1-79.6000111
193V30.3Very low32.2Very low121 Ų121143.8 Ų143.873%0.73377%0.768SS**  trans69.393.3160-147.50000119.8
194Q29.4Very low32.5Very low170 Ų170143.4 Ų143.479%0.79477%0.771SS**  trans-94.8127.8149.8-168.1167.111.100109.1
195H36.1Very low32.8Very low133 Ų133141 Ų14162%0.61677%0.774SS**  trans71.891148.4-84.5-119.2000121.5I197H195-I197 VanDerWaalsContact C-N 3.34Å; H195-I197 WeakPolarHBondContact CE1-CD1 3.37Å; H195-I197 VanDerWaalsContact ND1-CD1 3.34Å; H195-I197 WeakPolarHBondContact ND1-CD1 3.18Å; H195-I197 VanDerWaalsContact ND1-CG1 3.34Å; H195-I197 WeakPolarHBondContact ND1-CG1 3.49Å; H195-I197 PolarHBondContact O-N 2.94Å
196D31.3Very low33.2Very low156 Ų156138.9 Ų138.983%0.83477%0.773SS**  -65.590.1127.2-85.3-76.5000110.3
197I36.4Very low33.6Very low135 Ų135138.5 Ų138.569%0.69278%0.775SS**  trans-121.278.9145.7-68.4-173.5000106.1H195H195-I197 VanDerWaalsContact C-N 3.34Å; H195-I197 WeakPolarHBondContact CE1-CD1 3.37Å; H195-I197 VanDerWaalsContact ND1-CD1 3.34Å; H195-I197 WeakPolarHBondContact ND1-CD1 3.18Å; H195-I197 VanDerWaalsContact ND1-CG1 3.34Å; H195-I197 WeakPolarHBondContact ND1-CG1 3.49Å; H195-I197 PolarHBondContact O-N 2.94Å
198F34.4Very low34.2Very low160 Ų160137.5 Ų137.570%0.70278%0.78SS**  trans-152.181.9164.5-168.9-92000108.2
199W34Very low34.3Very low187 Ų187140 Ų14071%0.70879%0.785SS**SBendtrans-173.255.9155.9-116.6112.9000117.8
200L38.3Very low34.7Very low155 Ų155143.1 Ų143.181%0.81279%0.792SS**SBendtrans-166.857.9148.4-141.670.2000115.4
201L37.8Very low35.1Very low177 Ų177141.4 Ų141.493%0.92779%0.792SS**SBendtrans-143.345.8155.1-162.564.2000111.5
202Q43.3Very low35.7Very low146 Ų146140.1 Ų140.168%0.68280%0.796SS**  trans-131.262.2166.7-175.410780.100108.6
203Q42.5Very low35.8Very low173 Ų173140.6 Ų140.681%0.80880%0.798SS**SBendtrans-160.965.5160.8-144.1162.288.900112.3
204A32.9Very low36.1Very low100 Ų100140.8 Ų140.883%0.82681%0.805SS**SBendtrans-15822.2161.900000113.9
205A32.6Very low36.4Very low100 Ų100136.1 Ų136.183%0.82680%0.802SS**  trans-113.359.8171.900000110
206S36.6Very low36.5Very low104 Ų104137.7 Ų137.773%0.72781%0.813SS**SBendtrans-162.567.6168.837.90000111.1
207S34.4Very low36.6Very low117 Ų117137.9 Ų137.982%0.81881%0.809SS**  trans179.7109.1148.943.20000108.5
208G41.6Very low36.4Very low80 Ų80139.5 Ų139.583%0.82581%0.813SS**  trans-62.8140.9169.600000110.7
209N31.3Very low36.3Very low169 Ų169140.7 Ų140.790%0.90482%0.824SS**  trans-158.7123.3141.8-141.514.2000109.8
210L37.6Very low36.2Very low174 Ų174136.6 Ų136.691%0.91183%0.829SS**  trans-83.2136.6173.1-75.8151000108.7
211G39.1Very low36.2Very low76 Ų76132.6 Ų132.678%0.78483%0.826SS**  trans141.9137.716000000114.8
212A38.7Very low36.2Very low108 Ų108133.5 Ų133.589%0.89383%0.828SS**  trans87.460.1169.100000117.5
213F33.6Very low35.8Very low211 Ų211132.1 Ų132.193%0.92583%0.834SS**  trans-113.481.8149.2-168.8-97.7000109
214S37.1Very low35.8Very low126 Ų126129 Ų12988%0.88184%0.838SS**  trans-154103.3167.7-81.90000107.6
215G34.3Very low36.5Very low71 Ų71132.2 Ų132.273%0.73284%0.84SS**  trans162.8105.2176.200000113.1
216I39.4Very low37.2Very low166 Ų166135.9 Ų135.985%0.85184%0.841SS**  trans87.570.9157.4-43.6-173.6000115.3
217Q32.7Very low37.8Very low161 Ų161138.9 Ų138.975%0.75285%0.847SS**  trans-54.9153.2134.9178.3175.1-3800111.3
218Q33.2Very low38.2Very low168 Ų168141.2 Ų141.279%0.78585%0.845SS**  trans85.5102.9168.5-80.5156.1-37.400117.9
219M31.8Very low38.5Very low186 Ų186144.4 Ų144.492%0.91684%0.844SS**  -169.7127.586.7-162.7164.6-163.400112.4
220A32.1Very low39.4Very low100 Ų100144 Ų14483%0.82684%0.841SS**  trans64.696154.300000121.2
221G37.3Very low39.7Very low72 Ų72140 Ų14074%0.74283%0.833SS**  110.285.4122.500000117.8
222M38.1Very low40Very low196 Ų196141.5 Ų141.597%0.96683%0.827SS**  trans-175.2147.7140.5-101.8156.471.100111.8
223S36.2Very low40.1Very low117 Ų117143.8 Ų143.882%0.81882%0.823SS**  trans-65.1141.7-156.8-42.80000117L225S223-L225 PolarHBondContact O-N 3.03Å
224A41.4Very low40.4Very low108 Ų108138.6 Ų138.689%0.89382%0.819SS**THydrogen-bonded Turntrans-85.435.5-171.300000116.3
225L48.1Very low40.6Very low167 Ų167137.3 Ų137.387%0.87482%0.816SS**THydrogen-bonded Turntrans-120.36.6-175.5-96.9167.4000116.6S223S223-L225 PolarHBondContact O-N 3.03Å
226Q47.5Very low40.6Very low177 Ų177138.6 Ų138.683%0.82782%0.82SS**SBendtrans-113.2-2.8178.9-154.2121.7-31.500114.6
227L48.9Very low40.4Very low166 Ų166135.9 Ų135.987%0.86982%0.822SS**SBendtrans-100.86.6-173.6-134.3118000115.5
228Q43Very low40.7Very low166 Ų166133 Ų13378%0.77683%0.825SS**SBendtrans-91.6-11.7176.1-166.259.629.500113.5
229N47.6Very low40.8Very low148 Ų148129.7 Ų129.779%0.79183%0.827SS**SBendtrans-108.114.5-167.7-134.9-3.1000115.8
230L49.4Very low41Very low160 Ų160125.5 Ų125.584%0.83882%0.822SS**SBendtrans-118.1-4.5-179-117.8152.8000114.4
231A44Very low41Very low90 Ų90130 Ų13074%0.74483%0.826SS**SBendtrans-92.3-11.7177.400000114.1
232T44.7Very low40.7Very low107 Ų107133.9 Ų133.966%0.65683%0.83SS**SBendtrans-104.80.7-166-24.60000115
233L41.9Very low40.2Very low157 Ų157129.9 Ų129.982%0.82282%0.821SS**SBendtrans-101.9-5.5-179.3-155.868.6000114.2
234A40.1Very low39.7Very low102 Ų102129.1 Ų129.184%0.84382%0.822SS**THydrogen-bonded Turntrans-90.75.9-174.200000115.1
235A39.8Very low38.9Very low98 Ų98129.4 Ų129.481%0.8182%0.817SS**THydrogen-bonded Turntrans-116.56-172.100000115.9
236A35.5Very low38.3Very low99 Ų99126.8 Ų126.882%0.81881%0.81SS**SBendtrans-117.621-167.400000116.6
237A34.6Very low37.2Very low108 Ų108123 Ų12389%0.89380%0.804SS**SBendtrans-125.428.5179.500000114.1
238A39Very low36.1Very low100 Ų100121.7 Ų121.783%0.82680%0.802SS**SBendtrans-132.448.6-179.400000112.5
239A36Very low35.2Very low100 Ų100118.6 Ų118.683%0.82681%0.805SS**  trans-164.367.117100000112.8
240A35.5Very low34.3Very low98 Ų98119 Ų11981%0.8181%0.808SS**  trans-160.357.5165.600000113.3
241Q32.8Very low33.7Very low195 Ų195116.6 Ų116.691%0.91180%0.801SS**  trans-146.985.6161-73.2-165.80.800110.7
242N30.3Very low32.9Very low153 Ų153119.8 Ų119.882%0.81881%0.805SS**  trans-163.5107.6145.9-134.1-18.5000105.5
243S27Very low32.1Very low112 Ų112120 Ų12078%0.78381%0.811SS**  -179.2153.491.1-62.20000110.5
244A26.9Very low31.5Very low101 Ų101117.5 Ų117.584%0.83581%0.807SS**  trans107.6104155.400000118.8
245S24.3Very low30.9Very low113 Ų113118 Ų11879%0.7980%0.804SS**  trans-61.6172.1151.4-38.50000111.3
246P35.6Very low30.4Very low112 Ų112118.2 Ų118.273%0.72781%0.806SS**  cis-153-178.236.442.9-19.4000119
247S25Very low30Very low99 Ų99118.3 Ų118.369%0.69281%0.806SS**  trans84.1116.2145.5-54.40000123.8
248T24.1Very low29.7Very low137 Ų137118.4 Ų118.484%0.8480%0.801SS**  trans65.9105.3134.660.80000121.2
249A25.4Very low29.1Very low101 Ų101122.4 Ų122.484%0.83581%0.807SS**  157.2131.2111.900000112.4
250N27.8Very low28.8Very low158 Ų158121.2 Ų121.285%0.84581%0.805SS**  trans-52.6166.9166-86.9-5000112.9
251P38.1Very low28.4Very low108 Ų108121 Ų12170%0.70180%0.803SS**  cis-147.8161.533.434.5-10.6000119.9
252L26.1Very low28.1Very low157 Ų157120.2 Ų120.282%0.82280%0.804SS**  trans58.6114.9138.7-65.5162.3000119.5
253S28.9Very low28Very low113 Ų113117.8 Ų117.879%0.7981%0.805SS**  -163.8125.2109.5-74.40000111
254S28.1Very low28.2Very low103 Ų103117.9 Ų117.972%0.7281%0.806SS**  trans-7.7142.3150.6490000116.4
255S27.8Very low29.2Very low112 Ų112118.7 Ų118.778%0.78380%0.803SS**  cis179.7157.724.4300000108.8
256A28.6Very low29.2Very low103 Ų103119.3 Ų119.385%0.85180%0.802SS**  trans76.781.8155.400000118.3
257A28.7Very low28.7Very low101 Ų101119.3 Ų119.384%0.83580%0.799SS**  trans-155.2113137.400000109.6
258S28.2Very low28.7Very low111 Ų111120.4 Ų120.478%0.77680%0.802SS**  trans-164127.6143.754.50000109
259L25.1Very low28.8Very low183 Ų183119 Ų11996%0.95880%0.798SS**  -178.6130.7126.2-95.1156.9000110.6
260G29.5Very low29Very low75 Ų75121.6 Ų121.677%0.77380%0.798SS**  trans118.4123.6162.700000112.8
261A28.3Very low29.1Very low93 Ų93118.4 Ų118.477%0.76979%0.788SS**  cis-170.5136.6-1.700000106.4
262L25.9Very low28.7Very low179 Ų179118.9 Ų118.994%0.93779%0.794SS**  trans-148.8137.1157.6-79180000111
263A28.9Very low29.8Very low102 Ų102117 Ų11784%0.84379%0.791SS**  trans83.8114.8153.500000120.6
264S31.6Very low29.8Very low115 Ų115116 Ų11680%0.80479%0.79SS**  trans-57174.1154-57.50000112.5
265P46.4Very low29.8Very low118 Ų118120.1 Ų120.177%0.76680%0.795SS**  cis-144.1-177.22238-14.9000117.2
266V25.4Very low29.8Very low126 Ų126119.4 Ų119.476%0.76479%0.79SS**  trans129.6125.2138.6103.10000117.4
267T25.3Very low29.8Very low111 Ų111122.8 Ų122.868%0.68179%0.793SS**  trans66.2127.6150.4530000125
268T24.2Very low31Very low123 Ų123123.5 Ų123.576%0.75579%0.789SS**  trans87.3113.7131.550.10000122.2
269S26.4Very low31Very low107 Ų107122.6 Ų122.675%0.74879%0.788SS**  117.6134.3122.271.30000118.6
270N29.1Very low31.3Very low155 Ų155119.2 Ų119.283%0.82979%0.786SS**  trans71.9140.6163.3-71.70.2000118.9
271S29.4Very low31.4Very low92 Ų92118.9 Ų118.964%0.64378%0.783SS**  cis179.8113.7-20.944.40000105.4
272S30.8Very low31.5Very low117 Ų117121 Ų12182%0.81879%0.786SS**  trans42.7164.9138.6-62.80000122.9
273P48.6Very low31.8Very low117 Ų117119 Ų11976%0.7678%0.782SS**  cis-143.8-179.1-29.135.3-15.1000116
274A29.2Very low31.9Very low93 Ų93118.6 Ų118.677%0.76978%0.779SS**  trans84.8142.3147.800000117.8
275K27.9Very low32.1Very low190 Ų190118.2 Ų118.283%0.82678%0.776SS**  cis-168.7150.921.4-156.8168.4179.5171.60112
276S27.9Very low31.5Very low97 Ų97118.3 Ų118.368%0.67878%0.779SS**  trans60.6109.8152.954.90000120
277L29.5Very low31.7Very low174 Ų174120 Ų12091%0.91178%0.784SS**  64143.973-94103.8000117.7
278P53.4Low32Very low116 Ų116119.3 Ų119.375%0.75379%0.79SS**  trans-125.6175.9-151.739.5-20.4000115.3
279A28.8Very low32.2Very low92 Ų92117 Ų11776%0.7679%0.791SS**  trans-162.7115.3156.500000107.9
280A30.9Very low32.4Very low111 Ų111116.5 Ų116.592%0.91779%0.793SS**  62.9127.17600000112.7
281G31.8Very low32.7Very low69 Ų69117.3 Ų117.371%0.71179%0.794SS**  cis173.1173.41.500000109.2
282T29.9Very low32.9Very low136 Ų136118.6 Ų118.683%0.83479%0.794SS**  trans-177.2115.6142.843.60000111
283T31.5Very low32.9Very low139 Ų139117 Ų11785%0.85378%0.782SS**  trans32142.9133.258.70000120.6
284A31.4Very low32.2Very low93 Ų93118.3 Ų118.377%0.76978%0.782SS**  cis-159.3138.221.300000110
285S35.5Very low32.4Very low107 Ų107120.1 Ų120.175%0.74878%0.784SS**  59.5112.6105.6-161.80000118.6
286S33.9Very low32.5Very low120 Ų120115.9 Ų115.984%0.83978%0.778SS**  -163.7128.9109.7-2.40000112.5
287N30.8Very low32.5Very low160 Ų160119.5 Ų119.586%0.85679%0.789SS**  trans-15.2156.5152.7-72.8-1.3000117.8
288A30.5Very low32.5Very low97 Ų97114.1 Ų114.180%0.80278%0.775SS**  cis-166.9154.70.700000104.7
289G29.2Very low31.4Very low76 Ų76115.2 Ų115.278%0.78478%0.78SS**  cis110.210522.300000110.2
290A31.2Very low31.3Very low96 Ų96118.1 Ų118.179%0.79378%0.782SS**  trans155.1118.2138.300000110.9
291M33.7Very low31.3Very low172 Ų172121.7 Ų121.785%0.84778%0.78SS**  69142.869.3-91-171.7-163.400113.2
292N34.5Very low31.3Very low119 Ų119122 Ų12264%0.63678%0.782SS**  cis-169.8152.88.6-133.9-27.4000110
293S31.5Very low31.4Very low83 Ų83123.8 Ų123.858%0.5879%0.786SS**  52.2125.9126-71.30000125.4
294L33.9Very low31.4Very low144 Ų144122 Ų12275%0.75479%0.785SS**  68137118.3-65.8166000122.8
295T32.4Very low31.4Very low131 Ų131121.3 Ų121.380%0.80479%0.787SS**  trans67.1155.4145.354.50000117.6
296S30.3Very low31.2Very low101 Ų101120.8 Ų120.871%0.70679%0.789SS**  cis-170.2160.6-22.764.10000105.4
297L27.7Very low30.9Very low174 Ų174121.1 Ų121.191%0.91179%0.786SS**  trans64.9118.4149.2-13270.1000121.6
298G30.4Very low31.1Very low60 Ų60120.3 Ų120.362%0.61979%0.787SS**  91.7114.7121.700000120.6
299T29.9Very low31.1Very low139 Ų139119 Ų11985%0.85378%0.783SS**  trans75138.113560.60000122.4
300L27.4Very low31.3Very low153 Ų153122.8 Ų122.880%0.80178%0.784SS**  trans84.893148.8-117.3101.6000120.5
301Q29.6Very low31.5Very low187 Ų187125.3 Ų125.387%0.87479%0.785SS**  47.6115.4109.2-153.1168-4300119.3
302G32.8Very low31.5Very low74 Ų74124.8 Ų124.876%0.76379%0.785SS**  trans139.598.6141.500000119.7
303L31.7Very low31.6Very low175 Ų175126 Ų12692%0.91679%0.79SS**  97119.9125.9-152.466.2000122.4
304A31.5Very low31.7Very low100 Ų100129.4 Ų129.483%0.82680%0.802SS**  trans68132153.200000118.8
305G30.3Very low31.5Very low79 Ų79126.8 Ų126.881%0.81480%0.801SS**  cis-179.1163.50.800000105
306A33.2Very low31.4Very low96 Ų96128.5 Ų128.579%0.79380%0.804SS**  cis-160.316512.100000109.7
307T27.5Very low31.4Very low127 Ų127128.5 Ų128.578%0.77981%0.81SS**  trans94.399.9150.6-570000120.5
308V33.6Very low31.5Very low144 Ų144124.1 Ų124.187%0.87381%0.807SS**  trans73.9114.2133.3-176.60000120.2
309G31.4Very low31.6Very low69 Ų69130 Ų13071%0.71182%0.821SS**  trans161.988159.400000115.6
310L32.3Very low31.6Very low155 Ų155127.6 Ų127.681%0.81282%0.815SS**  trans13.9137.1136.9-59.2168.6000117.6
311N36.8Very low32Very low150 Ų150124.5 Ų124.580%0.80281%0.812SS**  cis-165.3147.118-105.1-45.4000109.2
312N33.2Very low32.2Very low160 Ų160123.6 Ų123.686%0.85681%0.812SS**  trans-94.3155.7-170.6-169.126.7000113.5
313I36Very low32.2Very low146 Ų146128 Ų12875%0.74982%0.818SS**  trans-98.2129.4173.8-69.1169.5000109.4
314N33.1Very low32.4Very low153 Ų153123.2 Ų123.282%0.81881%0.811SS**  trans52.6117.5146.3-156.228.7000120.6
315A30Very low32.6Very low90 Ų90121.3 Ų121.374%0.74480%0.801SS**  trans179.4124.6132.400000113.2
316L29.9Very low32.9Very low167 Ų167126.4 Ų126.487%0.87481%0.808SS**  78.1132.8125.6-155.571.1000122.1
317A30.7Very low32.8Very low100 Ų100125.6 Ų125.683%0.82681%0.809SS**  trans80133.6153.900000119.9
318G30.4Very low33.2Very low82 Ų82123.1 Ų123.185%0.84581%0.809SS**  trans149.798.8154.500000117.3
319M33.3Very low33.1Very low185 Ų185121.7 Ų121.791%0.91181%0.812SS**  trans-50148.9167.6-164.681.2-178.100116.5
320A28.7Very low33.1Very low87 Ų87122.3 Ų122.372%0.71982%0.818SS**  trans55.9127.214600000123.1
321A36.5Very low33.4Very low89 Ų89123.2 Ų123.274%0.73682%0.823SS**  172.5111.2128.400000108
322L32.9Very low33Very low168 Ų168122.9 Ų122.988%0.8883%0.827SS**  66.6110.285.7-71.6174.1000115.1
323N32.8Very low32.9Very low167 Ų167123 Ų12389%0.89383%0.828SS**  89.6132.9126.5-158.319.1000120.1
324G36.3Very low32.7Very low74 Ų74118.7 Ų118.776%0.76382%0.819SS**  trans114.2108.8160.200000113.5
325G35Very low32.5Very low60 Ų60118.2 Ų118.262%0.61982%0.822SS**  cis147135.47.500000109.8
326L36.3Very low32.5Very low186 Ų186118.9 Ų118.997%0.97483%0.827SS**  trans55.9140.3153.5-6997.4000119.3
327G32.6Very low32.6Very low78 Ų78113.9 Ų113.980%0.80482%0.816SS**  cis145.1156.813.600000109.4
328G35.4Very low32.7Very low76 Ų76115.7 Ų115.778%0.78482%0.817SS**  trans116.793.7166.400000113.8
329A32Very low33Very low113 Ų113120.6 Ų120.693%0.93482%0.82SS**  76.81287000000114.1
330G30.8Very low33.1Very low82 Ų82118.7 Ų118.785%0.84581%0.814SS**  trans15482.6160.600000115.9
331L37.9Very low33.7Very low174 Ų174119.4 Ų119.491%0.91182%0.82SS**  trans-92.9136.6161.3-68.5166.1000109.4
332T29.9Very low33.8Very low144 Ų144122.8 Ų122.888%0.88382%0.824SS**  trans-161.7159.7155.967.30000107.3
333N31Very low34.6Very low163 Ų163120 Ų12087%0.87281%0.814SS**  cis-167.4152.5-36.7-179.540.1000104
334G31.7Very low35.5Very low54 Ų54120.8 Ų120.856%0.55781%0.813SS**  trans-90.5175.8-164.100000119.3
335T29.2Very low35.6Very low144 Ų144121.5 Ų121.588%0.88381%0.812SS**  trans105.1117.8136.6-44.40000120.7
336A28.4Very low35.6Very low103 Ų103129.2 Ų129.285%0.85182%0.824SS**  trans83131.9141.600000124
337G33.3Very low36Very low63 Ų63126.4 Ų126.465%0.64982%0.819SS**  trans161.372.2167.200000110.9
338T32.7Very low36.1Very low137 Ų137125.4 Ų125.484%0.8481%0.809SS**  73111105.454.30000117
339M36.3Very low36.4Very low185 Ų185128.5 Ų128.591%0.91181%0.806SS**  trans45.6113149.3-69.7-146.2178.600120.5
340D35.9Very low36.5Very low146 Ų146130.7 Ų130.778%0.78180%0.797SS**  171.757.9115.2-135.5-59.3000111.8
341A41.6Very low36.7Very low102 Ų102134 Ų13484%0.84379%0.791SS**SBendtrans-12415.8177.200000112.9
342L37.4Very low36.5Very low159 Ų159135.7 Ų135.783%0.83279%0.786SS**SBendtrans-108.64.2-167.9-137.7131.5000114.5
343T51.2Low36.3Very low109 Ų109132.5 Ų132.567%0.66978%0.775SS**SBendtrans-104-16.8-172.4-63.10000115.3
344Q49.9Very low36.2Very low184 Ų184129.7 Ų129.786%0.8677%0.774SS**SBendtrans-129.15.1-163.8-78.3-90.6-48.500117
345A38.5Very low36.2Very low90 Ų90131.8 Ų131.874%0.74479%0.786SS**SBendtrans-116.2-0.1174.100000113.8S347A345-S347 PolarHBondContact O-N 3.25Å
346Y35.9Very low36.3Very low222 Ų222130 Ų13087%0.87179%0.786SS**THydrogen-bonded Turntrans-80.666.3172.1-139.3-92.6000110.3
347S43.8Very low36.5Very low126 Ų126133 Ų13388%0.88179%0.787SS**THydrogen-bonded Turntrans-145.212.6160.3-63.50000111.3A345A345-S347 PolarHBondContact O-N 3.25Å
348G36.3Very low36.9Very low57 Ų57135 Ų13559%0.58879%0.788SS**  trans-82.5113.8170.700000110.9
349I39.9Very low37Very low142 Ų142135 Ų13573%0.72879%0.789SS**  trans95103.6136.3-60.4169.5000116.1
350Q34.5Very low37Very low159 Ų159134.7 Ų134.774%0.74379%0.79SS**  trans85125.2147.7-63.416923.200117.6
351Q35.1Very low37Very low151 Ų151137.4 Ų137.471%0.70679%0.79SS**  174.1138.691.9-92.2-162.2-2.500113.4
352Y33.5Very low37Very low209 Ų209138 Ų13882%0.8279%0.788SS**  trans63.6151.7152.2-82.5-107.4000118.7
353A26.4Very low36.9Very low77 Ų77139.5 Ų139.564%0.63679%0.791SS**  cis179.1148.9-24.600000104.2
354A28.2Very low36Very low104 Ų104139.9 Ų139.986%0.8680%0.798SS**  trans71.2109.5160.800000119.8
355A32.8Very low35.4Very low98 Ų98138.3 Ų138.381%0.8180%0.795SS**  -170.1114.5109.900000112.2
356A30.8Very low35.5Very low106 Ų106141.9 Ų141.988%0.87680%0.801SS**  trans59.7126.7142.800000123.2
357L31.7Very low35.7Very low167 Ų167140.6 Ų140.687%0.87480%0.802SS**  trans-51.7175.9164.8-75.3167.7000115.6
358P42.5Very low35.6Very low104 Ų104143.7 Ų143.768%0.67580%0.803SS**  cis-131.6144.6-13.631.4-12.5000113.8
359T34Very low35.8Very low139 Ų139150.5 Ų150.585%0.85382%0.82SS**  trans-152.985.9153.2-41.80000111.1Y361T359-Y361 PolarHBondContact O-N 2.8Å
360L36.4Very low35.4Very low178 Ų178147.4 Ų147.493%0.93282%0.822SS**  trans-92.840.6-174.5-132.9171.1000112.7
361Y37.7Very low35.2Very low203 Ų203144 Ų14480%0.79682%0.822SS**SBendtrans-136.75-174.9-156.9-101.9000117.6T359T359-Y361 PolarHBondContact O-N 2.8Å
362S41.2Very low34.9Very low114 Ų114141.6 Ų141.680%0.79783%0.827SS**  trans-137.970.3-177.9-169.80000113.2
363Q33.8Very low35Very low190 Ų190134.9 Ų134.989%0.88882%0.822SS**  trans-156.359.2162.5-151.9178.497.900112.7
364S33.1Very low35.6Very low117 Ų117135.9 Ų135.982%0.81882%0.824SS**SBendtrans-143.416.9168.4-55.30000115.6
365L37.8Very low36.9Very low152 Ų152134.7 Ų134.780%0.79680%0.801SS**SBendtrans-132.144.9-177.7-71.4173.8000115.3
366L39.8Very low38.2Very low165 Ų165137.6 Ų137.686%0.86480%0.795SS**SBendtrans-134.830.9172.1-69.2172.8000115.3
367Q39.6Very low39.8Very low194 Ų194137.2 Ų137.291%0.90778%0.775SS**SBendtrans-134.934169.7-144.287.151.800115.1
368Q43Very low41.5Very low192 Ų192130 Ų13090%0.89774%0.741SS**  trans-144.857.9168.8-14817046.600113.2
369Q39.9Very low43Very low200 Ų200128.2 Ų128.294%0.93573%0.73SS**  trans-105.192.2163-143.397.823.100108.5
370G31.7Very low44.7Very low76 Ų76128.5 Ų128.578%0.78472%0.721SS**  trans174.934.8-178.800000116.8
371A29.6Very low46.6Very low89 Ų89121.4 Ų121.474%0.73669%0.691SS**  trans-161.1116.3159.200000110.5G373A371-G373 PolarHBondContact O-N 3.31Å
372A29.1Very low48.8Very low99 Ų99111.7 Ų111.782%0.81865%0.653SS**  trans-50131165.600000110.1S374A372-S374 PolarHBondContact O-N 3.34Å
373G36.8Very low51Low69 Ų69106.9 Ų106.971%0.71162%0.618SS**  trans-4399.4-168.100000115.2A371 Q375A371-G373 PolarHBondContact O-N 3.31Å; G373-Q375 PolarHBondContact O-N 3.07Å
374S39Very low53.7Low97 Ų9797.9 Ų97.968%0.67858%0.576SS**  trans-74.9103.8155.9-68.40000106.2A372 K376A372-S374 PolarHBondContact O-N 3.34Å; S374-K376 PolarHBondContact O-N 3.07Å
375Q54.5Low56.4Low80 Ų8094.5 Ų94.537%0.37455%0.547SS..  trans-59.592.7170.8-67.9178.3-117.900107.7G373 E377 K412 F427G373-Q375 PolarHBondContact O-N 3.07Å; Q375-E377 VanDerWaalsContact C-N 3.3Å; Q375-E377 HydrophobicContact CB-CG 4.4Å; Q375-E377 PolarHBondContact O-N 3.43Å; Q375-K412 HydrophobicContact CG-CD 4.49Å; Q375-F427 HydrophobicContact CG-CE2 4.22Å; Q375-F427 HydrophobicContact CG-CZ 3.66Å
376K59.8Low58.9Low158 Ų15887.3 Ų87.369%0.68751%0.509SS*.  trans-75.793.8171.1-165.1177.6179.5-175.60105.5S374 V409 S410S374-K376 PolarHBondContact O-N 3.07Å; K376-V409 HydrophobicContact CB-CG1 4.09Å; K376-V409 HydrophobicContact CD-CG1 4.11Å; K376-V409 HydrophobicContact CG-CG1 3.97Å; K376-V409 WeakPolarHBondContact O-CG1 3.3Å; K376-S410 WeakPolarHBondContact O-CB 3.46Å
377E65.7Low61.1Low98 Ų9883.7 Ų83.746%0.45849%0.485SS..  trans-76.2125.2175-58.6-169.7164.700107.1Q375 K458Q375-E377 VanDerWaalsContact C-N 3.3Å; Q375-E377 HydrophobicContact CB-CG 4.4Å; Q375-E377 PolarHBondContact O-N 3.43Å; E377-K458 IonicContact OE1-NZ 2.81Å; E377-K458 PolarHBondContact OE1-NZ 3.21Å; E377-K458 IonicContact OE2-NZ 2.62Å; E377-K458 PolarHBondContact OE2-NZ 2.91Å
378G66.1Low63.3Low16 Ų1678.8 Ų78.817%0.16546%0.462CS..  trans-69.4-179.1172.600000111.2N383 S429G378-N383 PolarHBondContact O-ND2 3.48Å; G378-N383 VanDerWaalsContact O-ND2 3.15Å; G378-S429 VanDerWaalsContact CA-OG 3.31Å; G378-S429 WeakPolarHBondContact CA-OG 3.4Å; G378-S429 PolarHBondContact N-OG 2.99Å
379P73.9Confident65.3Low66 Ų6669.7 Ų69.743%0.42942%0.419SS..SBendtrans-53.6151.9-175.820.7-31000112.8G381 A382 N383 D431P379-G381 PolarHBondContact O-N 3.42Å; P379-A382 HydrophobicContact CG-CB 3.97Å; P379-A382 WeakPolarHBondContact O-CB 3.24Å; P379-A382 PolarHBondContact O-N 2.98Å; P379-N383 PolarHBondContact O-ND2 3.28Å; P379-D431 VanDerWaalsContact CG-O 3.26Å; P379-D431 WeakPolarHBondContact CG-O 2.99Å
380E70.9Confident67.3Low146 Ų14661.3 Ų61.368%0.68238%0.382SS*.THydrogen-bonded Turntrans-57.3132.2175.6-62.1-165.4120.800109.6S460E380-S460 WeakPolarHBondContact OE1-CB 3.28Å
381G76.1Confident69.5Low28 Ų2862.8 Ų62.829%0.28937%0.368SS..THydrogen-bonded Turntrans90.4-5.6-17200000115.7P379 P433 L457P379-G381 PolarHBondContact O-N 3.42Å; G381-P433 WeakPolarHBondContact O-CB 3.39Å; G381-L457 WeakPolarHBondContact O-CD1 3.41Å
382A83.1Confident72Confident0 Ų067 Ų670%037%0.373CS..  trans-104.10.3172.800000113.9P379 Y430 A436P379-A382 HydrophobicContact CG-CB 3.97Å; P379-A382 WeakPolarHBondContact O-CB 3.24Å; P379-A382 PolarHBondContact O-N 2.98Å; A382-Y430 WeakPolarHBondContact CB-O 3.39Å; A382-Y430 PolarHBondContact O-N 3.46Å; A382-A436 HydrophobicContact CB-CB 4.5Å
383N88.8Confident74.4Confident13 Ų1364 Ų647%0.0734%0.342CS..EExtended strand (participates in β ladder)trans-94.1126.5-178.8-69.5-83.6000110.9G378 P379 S429 L457 K458G378-N383 PolarHBondContact O-ND2 3.48Å; G378-N383 VanDerWaalsContact O-ND2 3.15Å; P379-N383 PolarHBondContact O-ND2 3.28Å; N383-S429 VanDerWaalsContact OD1-CB 3.25Å; N383-S429 WeakPolarHBondContact OD1-CB 3.46Å; N383-S429 PolarHBondContact OD1-OG 3.45Å; N383-L457 VanDerWaalsContact O-CD1 3.27Å; N383-L457 WeakPolarHBondContact O-CD1 3.4Å; N383-K458 HydrophobicContact CB-CB 3.73Å; N383-K458 HydrophobicContact CB-CD 3.75Å; N383-K458 HydrophobicContact CB-CG 4.38Å; N383-K458 VanDerWaalsContact O-CB 3.31Å; N383-K458 WeakPolarHBondContact O-CB 3.49Å; N383-K458 PolarHBondContact O-N 2.91Å
384L89.2Confident76.6Confident0 Ų061.5 Ų61.50%032%0.316CS..EExtended strand (participates in β ladder)trans-110.5146.4178.9-56.3-170.4000111.6F402 F427 V428 Y430 A436 A439 I440 V455 Q456 L457L384-F402 HydrophobicContact CD1-CD1 4.46Å; L384-F402 HydrophobicContact CD1-CE1 4.23Å; L384-F427 VanDerWaalsContact O-CA 3.23Å; L384-F427 WeakPolarHBondContact O-CA 3.34Å; L384-F427 WeakPolarHBondContact O-CB 3.42Å; L384-V428 WeakPolarHBondContact CA-O 3.34Å; L384-V428 HydrophobicContact CB-CB 4.47Å; L384-V428 WeakPolarHBondContact CB-O 3.34Å; L384-V428 PolarHBondContact N-O 2.96Å; L384-V428 PolarHBondContact O-N 2.72Å; L384-Y430 HydrophobicContact CD1-CD2 4.04Å; L384-Y430 HydrophobicContact CD1-CE2 3.56Å; L384-Y430 HydrophobicContact CG-CD2 4.24Å; L384-Y430 HydrophobicContact CG-CE2 4.23Å; L384-A436 HydrophobicContact CD1-CB 4.49Å; L384-A436 HydrophobicContact CD2-CB 3.85Å; L384-A436 HydrophobicContact CG-CB 4.16Å; L384-A439 HydrophobicContact CD1-CB 3.83Å; L384-I440 HydrophobicContact CD1-CG1 4.19Å; L384-I440 HydrophobicContact CD2-CD1 3.47Å; L384-I440 VanDerWaalsContact CD2-CD1 3.47Å; L384-I440 HydrophobicContact CD2-CG1 3.57Å; L384-V455 HydrophobicContact CB-CG1 4.21Å; L384-V455 HydrophobicContact CD1-CG1 3.74Å; L384-V455 HydrophobicContact CG-CG1 4.44Å; L384-Q456 CarbonylContact C-O 3.58Å; L384-Q456 WeakPolarHBondContact CA-O 3.38Å; L384-L457 HydrophobicContact CD2-CD1 4.05Å
385F90.1Very high78.8Confident47 Ų4760.8 Ų60.821%0.20630%0.304CS..EExtended strand (participates in β ladder)trans-116.3126.6172.3-159.8-76.6000109.1Y387 F425 Q456F385-Y387 HydrophobicContact CD1-CD1 4.23Å; F385-Y387 AromaticContact CD1-CD2 3.59Å; F385-Y387 HydrophobicContact CD1-CD2 3.59Å; F385-Y387 AromaticContact CD1-CE1 3.82Å; F385-Y387 HydrophobicContact CD1-CE1 3.82Å; F385-Y387 AromaticContact CD1-CE2 3.1Å; F385-Y387 HydrophobicContact CD1-CE2 3.1Å; F385-Y387 HydrophobicContact CD1-CG 4.12Å; F385-Y387 AromaticContact CD1-CZ 3.21Å; F385-Y387 WeakPolarHBondContact CD1-OH 3.17Å; F385-Y387 AromaticContact CE1-CD1 3.71Å; F385-Y387 HydrophobicContact CE1-CD1 3.71Å; F385-Y387 AromaticContact CE1-CD2 3.95Å; F385-Y387 HydrophobicContact CE1-CD2 3.95Å; F385-Y387 AromaticContact CE1-CE1 3.22Å; F385-Y387 HydrophobicContact CE1-CE1 3.22Å; F385-Y387 AromaticContact CE1-CE2 3.51Å; F385-Y387 HydrophobicContact CE1-CE2 3.51Å; F385-Y387 HydrophobicContact CE1-CG 4.03Å; F385-Y387 AromaticContact CE1-CZ 3.08Å; F385-Y387 WeakPolarHBondContact CE1-OH 3.22Å; F385-Y387 HydrophobicContact CG-CE2 4.14Å; F385-Y387 HydrophobicContact CZ-CE1 4.14Å; F385-F425 HydrophobicContact CE1-CB 4.05Å; F385-F425 HydrophobicContact CE1-CD2 4.27Å; F385-F425 HydrophobicContact CE1-CG 4.44Å; F385-F425 HydrophobicContact CZ-CB 4.34Å; F385-F425 AromaticContact CZ-CD2 3.69Å; F385-F425 HydrophobicContact CZ-CD2 3.69Å; F385-F425 HydrophobicContact CZ-CE2 4.34Å; F385-F425 HydrophobicContact CZ-CG 4.25Å; F385-Q456 PolarHBondContact N-O 3Å; F385-Q456 PolarHBondContact O-N 3.42Å
386I89.7Confident80.3Confident0 Ų062.3 Ų62.30%031%0.311CS..EExtended strand (participates in β ladder)trans-120123.6-171.8-57148000108.3L389 L398 F402 F425 G426 V428 K454 V455I386-L389 HydrophobicContact CG2-CD1 4.32Å; I386-L389 HydrophobicContact CG2-CD2 3.56Å; I386-L389 HydrophobicContact CG2-CG 3.85Å; I386-L398 HydrophobicContact CD1-CD1 3.89Å; I386-L398 HydrophobicContact CD1-CD2 4.17Å; I386-L398 HydrophobicContact CD1-CG 4.27Å; I386-F402 HydrophobicContact CD1-CD1 4.4Å; I386-F402 HydrophobicContact CD1-CD2 4.29Å; I386-F402 HydrophobicContact CD1-CE1 3.72Å; I386-F402 HydrophobicContact CD1-CE2 3.55Å; I386-F402 HydrophobicContact CD1-CZ 3.24Å; I386-F402 HydrophobicContact CG1-CE1 4.17Å; I386-F402 HydrophobicContact CG1-CE2 4.34Å; I386-F402 HydrophobicContact CG1-CZ 3.66Å; I386-F402 HydrophobicContact CG2-CZ 4.38Å; I386-F425 CarbonylContact O-C 3.59Å; I386-F425 WeakPolarHBondContact O-CA 3.38Å; I386-F425 WeakPolarHBondContact O-CB 3.49Å; I386-G426 PolarHBondContact N-O 2.91Å; I386-G426 PolarHBondContact O-N 3.19Å; I386-V428 HydrophobicContact CD1-CB 3.87Å; I386-V428 HydrophobicContact CD1-CG2 3.34Å; I386-K454 CarbonylContact C-O 3.51Å; I386-K454 WeakPolarHBondContact CA-O 3.43Å; I386-V455 HydrophobicContact CG1-CG1 4.08Å; I386-V455 HydrophobicContact CG1-CG2 4.22Å; I386-V455 HydrophobicContact CG2-CG2 4.33Å
387Y87.1Confident81.6Confident90 Ų9058.3 Ų58.335%0.35330%0.297SS..EExtended strand (participates in β ladder)trans-109.9159.7176.2-60-94.4000111.1F385 L389 C424 F425 K454F385-Y387 HydrophobicContact CD1-CD1 4.23Å; F385-Y387 AromaticContact CD1-CD2 3.59Å; F385-Y387 HydrophobicContact CD1-CD2 3.59Å; F385-Y387 AromaticContact CD1-CE1 3.82Å; F385-Y387 HydrophobicContact CD1-CE1 3.82Å; F385-Y387 AromaticContact CD1-CE2 3.1Å; F385-Y387 HydrophobicContact CD1-CE2 3.1Å; F385-Y387 HydrophobicContact CD1-CG 4.12Å; F385-Y387 AromaticContact CD1-CZ 3.21Å; F385-Y387 WeakPolarHBondContact CD1-OH 3.17Å; F385-Y387 AromaticContact CE1-CD1 3.71Å; F385-Y387 HydrophobicContact CE1-CD1 3.71Å; F385-Y387 AromaticContact CE1-CD2 3.95Å; F385-Y387 HydrophobicContact CE1-CD2 3.95Å; F385-Y387 AromaticContact CE1-CE1 3.22Å; F385-Y387 HydrophobicContact CE1-CE1 3.22Å; F385-Y387 AromaticContact CE1-CE2 3.51Å; F385-Y387 HydrophobicContact CE1-CE2 3.51Å; F385-Y387 HydrophobicContact CE1-CG 4.03Å; F385-Y387 AromaticContact CE1-CZ 3.08Å; F385-Y387 WeakPolarHBondContact CE1-OH 3.22Å; F385-Y387 HydrophobicContact CG-CE2 4.14Å; F385-Y387 HydrophobicContact CZ-CE1 4.14Å; Y387-L389 VanDerWaalsContact C-N 3.29Å; Y387-L389 PolarHBondContact O-N 3.4Å; Y387-C424 CarbonylContact C-O 3.49Å; Y387-F425 HydrophobicContact CD1-CB 4.43Å; Y387-K454 HydrophobicContact CD2-CD 4.36Å; Y387-K454 HydrophobicContact CD2-CG 4.46Å; Y387-K454 PolarHBondContact N-O 3.08Å; Y387-K454 PolarHBondContact O-N 3.26Å
388H84.4Confident82.6Confident91 Ų9153.7 Ų53.742%0.42128%0.276SS..SBendtrans63.231.2178.3-50155.5000114.2C424 K451 R452 L453H388-C424 WeakPolarHBondContact CA-O 3.41Å; H388-C424 PolarHBondContact N-O 3.47Å; H388-K451 HydrophobicContact CB-CB 4.37Å; H388-R452 WeakPolarHBondContact CB-O 3.2Å; H388-R452 PolarHBondContact ND1-O 2.92Å; H388-R452 VanDerWaalsContact ND1-O 3.08Å; H388-L453 WeakPolarHBondContact O-CD2 3.35Å
389L86.1Confident83.6Confident0 Ų055.4 Ų55.40%028%0.281CS..  trans-58.6143.5168.7-67.6174.3000110.1I386 Y387 F393 L398 V413 C424 L453I386-L389 HydrophobicContact CG2-CD1 4.32Å; I386-L389 HydrophobicContact CG2-CD2 3.56Å; I386-L389 HydrophobicContact CG2-CG 3.85Å; Y387-L389 VanDerWaalsContact C-N 3.29Å; Y387-L389 PolarHBondContact O-N 3.4Å; L389-F393 HydrophobicContact CB-CB 4.41Å; L389-F393 HydrophobicContact CD2-CD1 4.29Å; L389-L398 HydrophobicContact CD1-CD1 3.84Å; L389-L398 HydrophobicContact CD1-CD2 4.31Å; L389-L398 HydrophobicContact CD2-CD1 3.61Å; L389-L398 HydrophobicContact CG-CD1 4.41Å; L389-V413 HydrophobicContact CD1-CG1 4.47Å; L389-V413 HydrophobicContact CD1-CG2 3.94Å; L389-C424 PolarHBondContact N-O 3.18Å; L389-C424 WeakPolarHBondContact O-CA 3.33Å; L389-C424 WeakPolarHBondContact O-CB 3.44Å; L389-C424 PolarHBondContact O-SG 3.28Å; L389-C424 VanDerWaalsContact O-SG 3.4Å; L389-L453 HydrophobicContact CD2-CD2 3.78Å
390P81.3Confident84.2Confident25 Ų2558.6 Ų58.616%0.16229%0.29CS..  trans-54.5152.4168.2-24.433.9000111.3E392 F393 I448P390-E392 PolarHBondContact O-N 3.48Å; P390-F393 HydrophobicContact CB-CB 4.44Å; P390-F393 HydrophobicContact CB-CD2 3.76Å; P390-F393 HydrophobicContact CB-CG 4.38Å; P390-F393 HydrophobicContact CG-CD2 3.57Å; P390-F393 HydrophobicContact CG-CE2 3.96Å; P390-F393 HydrophobicContact CG-CG 4.16Å; P390-F393 WeakPolarHBondContact O-CB 3.31Å; P390-F393 PolarHBondContact O-N 3.25Å; P390-I448 HydrophobicContact CG-CB 4.32Å; P390-I448 HydrophobicContact CG-CD1 3.94Å; P390-I448 HydrophobicContact CG-CG1 3.81Å; P390-I448 HydrophobicContact CG-CG2 3.65Å
391Q78.6Confident84.8Confident106 Ų10653.4 Ų53.450%0.49527%0.266SS..THydrogen-bonded Turntrans-64.8-27.1177.5-170.7179.8-62.300112.2F393 L421 S422Q391-F393 VanDerWaalsContact C-N 3.31Å; Q391-L421 HydrophobicContact CG-CB 4.07Å; Q391-L421 HydrophobicContact CG-CD2 4.21Å; Q391-L421 HydrophobicContact CG-CG 3.89Å; Q391-S422 WeakPolarHBondContact O-CB 3.26Å; Q391-S422 PolarHBondContact O-OG 2.96Å
392E81.6Confident85.2Confident178 Ų17852.1 Ų52.183%0.83225%0.253SS*.THydrogen-bonded Turntrans-81-10.1179.8-51.6-174.711900112.9P390 G394P390-E392 PolarHBondContact O-N 3.48Å; E392-G394 PolarHBondContact O-N 2.83Å
393F79.5Confident85.3Confident37 Ų3757.2 Ų57.216%0.16228%0.278CS..  trans-77.9118.4-179.1-100.3-119.9000111L389 P390 Q391 D397 M401 S422 I448L389-F393 HydrophobicContact CB-CB 4.41Å; L389-F393 HydrophobicContact CD2-CD1 4.29Å; P390-F393 HydrophobicContact CB-CB 4.44Å; P390-F393 HydrophobicContact CB-CD2 3.76Å; P390-F393 HydrophobicContact CB-CG 4.38Å; P390-F393 HydrophobicContact CG-CD2 3.57Å; P390-F393 HydrophobicContact CG-CE2 3.96Å; P390-F393 HydrophobicContact CG-CG 4.16Å; P390-F393 WeakPolarHBondContact O-CB 3.31Å; P390-F393 PolarHBondContact O-N 3.25Å; Q391-F393 VanDerWaalsContact C-N 3.31Å; F393-D397 HydrophobicContact CD1-CB 3.94Å; F393-D397 HydrophobicContact CE1-CB 4.07Å; F393-D397 HydrophobicContact CG-CB 4.25Å; F393-D397 HydrophobicContact CZ-CB 4.49Å; F393-M401 HydrophobicContact CD1-CE 4.41Å; F393-M401 HydrophobicContact CE1-CE 3.69Å; F393-M401 HydrophobicContact CE1-SD 3.69Å; F393-M401 HydrophobicContact CZ-CE 4.46Å; F393-M401 HydrophobicContact CZ-SD 3.96Å; F393-S422 PolarHBondContact O-OG 3.15Å; F393-I448 HydrophobicContact CD2-CD1 4.31Å; F393-I448 HydrophobicContact CE1-CD1 4.04Å; F393-I448 HydrophobicContact CE2-CD1 3.38Å; F393-I448 HydrophobicContact CE2-CG1 4.41Å; F393-I448 HydrophobicContact CZ-CD1 3.21Å
394G83.7Confident85.2Confident16 Ų1661.4 Ų61.417%0.16531%0.306CS..  trans-90.7179.6169.100000113.2E392 Q396 D397 L398 V413E392-G394 PolarHBondContact O-N 2.83Å; G394-Q396 VanDerWaalsContact C-N 3.34Å; G394-D397 PolarHBondContact N-OD2 2.96Å; G394-L398 WeakPolarHBondContact O-CB 3.33Å; G394-L398 PolarHBondContact O-N 2.86Å; G394-V413 VanDerWaalsContact C-CG2 3.48Å; G394-V413 WeakPolarHBondContact O-CG2 3.37Å
395D85.6Confident85Confident81 Ų8164.6 Ų64.643%0.43332%0.32SS..Hα-helixtrans-60.3-39.2170.649.7-41.5000113L398 L399D395-L398 PolarHBondContact O-N 2.79Å; D395-L399 PolarHBondContact O-N 2.77Å
396Q85.1Confident84.7Confident112 Ų11263.1 Ų63.152%0.52332%0.318SS..Hα-helixtrans-67.3-44.1177.1-66.3-63.794.400112.4G394 L398 L399 Q400G394-Q396 VanDerWaalsContact C-N 3.34Å; Q396-L398 VanDerWaalsContact C-N 3.29Å; Q396-L398 PolarHBondContact O-N 3.44Å; Q396-L399 PolarHBondContact O-N 2.72Å; Q396-Q400 PolarHBondContact O-N 2.88Å
397D86.8Confident84.5Confident75 Ų7568 Ų6840%0.40134%0.344SS..Hα-helixtrans-64.3-39176.9-53.5-54.4000111F393 G394 L399 Q400 M401F393-D397 HydrophobicContact CD1-CB 3.94Å; F393-D397 HydrophobicContact CE1-CB 4.07Å; F393-D397 HydrophobicContact CG-CB 4.25Å; F393-D397 HydrophobicContact CZ-CB 4.49Å; G394-D397 PolarHBondContact N-OD2 2.96Å; D397-L399 VanDerWaalsContact C-N 3.34Å; D397-Q400 PolarHBondContact O-N 3Å; D397-M401 WeakPolarHBondContact O-CB 3.42Å; D397-M401 PolarHBondContact O-N 2.91Å
398L87.2Confident84.5Confident0 Ų064.5 Ų64.50%033%0.332CS..Hα-helixtrans-63.3-41.9176-163.867.8000111.4I386 L389 G394 D395 Q396 F402 A411 V413 V428I386-L398 HydrophobicContact CD1-CD1 3.89Å; I386-L398 HydrophobicContact CD1-CD2 4.17Å; I386-L398 HydrophobicContact CD1-CG 4.27Å; L389-L398 HydrophobicContact CD1-CD1 3.84Å; L389-L398 HydrophobicContact CD1-CD2 4.31Å; L389-L398 HydrophobicContact CD2-CD1 3.61Å; L389-L398 HydrophobicContact CG-CD1 4.41Å; G394-L398 WeakPolarHBondContact O-CB 3.33Å; G394-L398 PolarHBondContact O-N 2.86Å; D395-L398 PolarHBondContact O-N 2.79Å; Q396-L398 VanDerWaalsContact C-N 3.29Å; Q396-L398 PolarHBondContact O-N 3.44Å; L398-F402 HydrophobicContact CD1-CD2 3.98Å; L398-F402 HydrophobicContact CD1-CE2 3.66Å; L398-F402 HydrophobicContact CG-CD2 4.28Å; L398-F402 HydrophobicContact CG-CE2 4.39Å; L398-F402 WeakPolarHBondContact O-CB 3.11Å; L398-F402 WeakPolarHBondContact O-CD2 3.33Å; L398-F402 PolarHBondContact O-N 2.96Å; L398-A411 HydrophobicContact CB-CB 4.46Å; L398-A411 HydrophobicContact CD2-CB 4.37Å; L398-V413 HydrophobicContact CB-CG2 4.09Å; L398-V413 HydrophobicContact CD2-CG2 3.78Å; L398-V413 HydrophobicContact CG-CG2 4.45Å; L398-V428 HydrophobicContact CD1-CG2 4.41Å; L398-V428 HydrophobicContact CD2-CG2 3.58Å; L398-V428 HydrophobicContact CG-CG2 3.62Å
399L86.7Confident84.6Confident52 Ų5262.4 Ų62.427%0.27233%0.325SS..Hα-helixtrans-62.4-51.7176.3-170.7141.7000110.4D395 Q396 D397 M401 F402 M403 V408 A411D395-L399 PolarHBondContact O-N 2.77Å; Q396-L399 PolarHBondContact O-N 2.72Å; D397-L399 VanDerWaalsContact C-N 3.34Å; L399-M401 VanDerWaalsContact C-N 3.3Å; L399-M401 PolarHBondContact O-N 3.24Å; L399-F402 PolarHBondContact O-N 3.33Å; L399-F402 VanDerWaalsContact O-N 3.08Å; L399-M403 HydrophobicContact CD2-CG 3.79Å; L399-M403 HydrophobicContact CD2-SD 3.49Å; L399-M403 WeakPolarHBondContact CD2-SD 3.27Å; L399-M403 HydrophobicContact CG-CG 4.46Å; L399-M403 VanDerWaalsContact O-CG 3.28Å; L399-M403 WeakPolarHBondContact O-CG 3.19Å; L399-M403 PolarHBondContact O-N 2.74Å; L399-V408 HydrophobicContact CD1-CG1 4.27Å; L399-V408 HydrophobicContact CG-CB 4.38Å; L399-V408 HydrophobicContact CG-CG1 4.26Å; L399-A411 HydrophobicContact CB-CB 3.98Å; L399-A411 HydrophobicContact CD1-CB 4.43Å
400Q86.1Confident84.4Confident134 Ų13463.5 Ų63.563%0.62633%0.333SS*.Hα-helixtrans-62.5-35.1-176.7-166.7161.7-4300113Q396 D397Q396-Q400 PolarHBondContact O-N 2.88Å; D397-Q400 PolarHBondContact O-N 3Å
401M84.5Confident84.7Confident37 Ų3763.1 Ų63.118%0.18233%0.332CS..Hα-helixtrans-71.2-30176.8-162.917561.500112.8F393 D397 L399 P404 F405 M443 I448 L453F393-M401 HydrophobicContact CD1-CE 4.41Å; F393-M401 HydrophobicContact CE1-CE 3.69Å; F393-M401 HydrophobicContact CE1-SD 3.69Å; F393-M401 HydrophobicContact CZ-CE 4.46Å; F393-M401 HydrophobicContact CZ-SD 3.96Å; D397-M401 WeakPolarHBondContact O-CB 3.42Å; D397-M401 PolarHBondContact O-N 2.91Å; L399-M401 VanDerWaalsContact C-N 3.3Å; L399-M401 PolarHBondContact O-N 3.24Å; M401-P404 WeakPolarHBondContact O-CD 3.43Å; M401-F405 WeakPolarHBondContact O-CE2 3.23Å; M401-M443 HydrophobicContact CB-CE 4.29Å; M401-M443 HydrophobicContact CE-CE 3.37Å; M401-M443 HydrophobicContact CG-CE 3.46Å; M401-M443 VanDerWaalsContact CG-CE 3.46Å; M401-M443 HydrophobicContact SD-CE 3.78Å; M401-I448 HydrophobicContact SD-CD1 4.18Å; M401-L453 HydrophobicContact CE-CD1 3.43Å; M401-L453 VanDerWaalsContact CE-CD1 3.43Å; M401-L453 HydrophobicContact SD-CD1 4.27Å
402F85Confident85.1Confident0 Ų061.9 Ų61.90%033%0.325CS..Hα-helixtrans-97.3-14.1-176-81.5-100.2000113.8L384 I386 L398 L399 P404 F405 V408 V428 Y430 A439 M443 V455L384-F402 HydrophobicContact CD1-CD1 4.46Å; L384-F402 HydrophobicContact CD1-CE1 4.23Å; I386-F402 HydrophobicContact CD1-CD1 4.4Å; I386-F402 HydrophobicContact CD1-CD2 4.29Å; I386-F402 HydrophobicContact CD1-CE1 3.72Å; I386-F402 HydrophobicContact CD1-CE2 3.55Å; I386-F402 HydrophobicContact CD1-CZ 3.24Å; I386-F402 HydrophobicContact CG1-CE1 4.17Å; I386-F402 HydrophobicContact CG1-CE2 4.34Å; I386-F402 HydrophobicContact CG1-CZ 3.66Å; I386-F402 HydrophobicContact CG2-CZ 4.38Å; L398-F402 HydrophobicContact CD1-CD2 3.98Å; L398-F402 HydrophobicContact CD1-CE2 3.66Å; L398-F402 HydrophobicContact CG-CD2 4.28Å; L398-F402 HydrophobicContact CG-CE2 4.39Å; L398-F402 WeakPolarHBondContact O-CB 3.11Å; L398-F402 WeakPolarHBondContact O-CD2 3.33Å; L398-F402 PolarHBondContact O-N 2.96Å; L399-F402 PolarHBondContact O-N 3.33Å; L399-F402 VanDerWaalsContact O-N 3.08Å; F402-P404 VanDerWaalsContact C-CD 3.45Å; F402-F405 PolarHBondContact O-N 2.69Å; F402-V408 HydrophobicContact CB-CG2 3.96Å; F402-V428 HydrophobicContact CB-CG1 4.04Å; F402-V428 HydrophobicContact CB-CG2 4.45Å; F402-V428 HydrophobicContact CD1-CB 4.41Å; F402-V428 HydrophobicContact CD1-CG1 4.11Å; F402-V428 HydrophobicContact CD1-CG2 4.33Å; F402-V428 HydrophobicContact CD2-CG2 4.2Å; F402-V428 HydrophobicContact CG-CG1 4.17Å; F402-V428 HydrophobicContact CG-CG2 4.08Å; F402-Y430 VanDerWaalsContact CB-OH 3.28Å; F402-Y430 WeakPolarHBondContact CB-OH 3.32Å; F402-Y430 HydrophobicContact CD1-CE2 4.23Å; F402-Y430 VanDerWaalsContact CD1-OH 3.27Å; F402-Y430 WeakPolarHBondContact CD1-OH 3.45Å; F402-Y430 PolarHBondContact O-OH 3.06Å; F402-A439 HydrophobicContact CD1-CB 4.27Å; F402-A439 HydrophobicContact CE1-CB 4.5Å; F402-M443 HydrophobicContact CD1-CE 4.25Å; F402-M443 HydrophobicContact CD1-SD 3.39Å; F402-M443 WeakPolarHBondContact CD1-SD 3.26Å; F402-M443 HydrophobicContact CD2-CE 3.61Å; F402-M443 HydrophobicContact CD2-SD 3.83Å; F402-M443 HydrophobicContact CE1-CB 4.41Å; F402-M443 HydrophobicContact CE1-CE 3.94Å; F402-M443 HydrophobicContact CE1-CG 4.46Å; F402-M443 HydrophobicContact CE1-SD 3.26Å; F402-M443 WeakPolarHBondContact CE1-SD 3.23Å; F402-M443 HydrophobicContact CE2-CE 3.27Å; F402-M443 HydrophobicContact CE2-SD 3.74Å; F402-M443 HydrophobicContact CG-CE 4.1Å; F402-M443 HydrophobicContact CG-SD 3.68Å; F402-M443 HydrophobicContact CZ-CB 4.38Å; F402-M443 HydrophobicContact CZ-CE 3.42Å; F402-M443 VanDerWaalsContact CZ-CE 3.42Å; F402-M443 HydrophobicContact CZ-SD 3.44Å; F402-M443 WeakPolarHBondContact CZ-SD 3.42Å; F402-V455 HydrophobicContact CE1-CG1 4.17Å; F402-V455 HydrophobicContact CE1-CG2 4.36Å; F402-V455 HydrophobicContact CZ-CG2 4.04Å
403M84.4Confident85.4Confident108 Ų10854 Ų5453%0.53229%0.289SS..G310 helixtrans-53.6-41.7173.4-82.9-17882.200116.3L399 F405 G406L399-M403 HydrophobicContact CD2-CG 3.79Å; L399-M403 HydrophobicContact CD2-SD 3.49Å; L399-M403 WeakPolarHBondContact CD2-SD 3.27Å; L399-M403 HydrophobicContact CG-CG 4.46Å; L399-M403 VanDerWaalsContact O-CG 3.28Å; L399-M403 WeakPolarHBondContact O-CG 3.19Å; L399-M403 PolarHBondContact O-N 2.74Å; M403-F405 PolarHBondContact O-N 2.92Å; M403-G406 CarbonylContact C-O 3.57Å; M403-G406 CarbonylContact O-C 3.57Å; M403-G406 PolarHBondContact O-N 3.38Å
404P87.2Confident85.7Confident100 Ų10055.7 Ų55.765%0.64930%0.296SS*.G310 helixtrans-68.2-19.9-176.624.8-33.7000113.4M401 F402M401-P404 WeakPolarHBondContact O-CD 3.43Å; F402-P404 VanDerWaalsContact C-CD 3.45Å
405F84.4Confident85.7Confident68 Ų6858.8 Ų58.830%0.29831%0.308SS..G310 helixtrans-89.7-10.6179.8-51.9-73.8000112.9M401 F402 M403 S435 A439 A442 M443M401-F405 WeakPolarHBondContact O-CE2 3.23Å; F402-F405 PolarHBondContact O-N 2.69Å; M403-F405 PolarHBondContact O-N 2.92Å; F405-S435 WeakPolarHBondContact O-CB 3.36Å; F405-A439 HydrophobicContact CB-CB 3.74Å; F405-A439 HydrophobicContact CG-CB 4.22Å; F405-A442 HydrophobicContact CD1-CB 3.89Å; F405-A442 HydrophobicContact CE1-CB 3.37Å; F405-A442 HydrophobicContact CZ-CB 4.02Å; F405-M443 HydrophobicContact CD2-CG 3.95Å; F405-M443 HydrophobicContact CD2-SD 3.42Å; F405-M443 WeakPolarHBondContact CD2-SD 3.39Å; F405-M443 HydrophobicContact CE1-CG 4.48Å; F405-M443 HydrophobicContact CE2-CE 4.18Å; F405-M443 HydrophobicContact CE2-CG 3.46Å; F405-M443 VanDerWaalsContact CE2-CG 3.46Å; F405-M443 HydrophobicContact CE2-SD 3.23Å; F405-M443 WeakPolarHBondContact CE2-SD 3.39Å; F405-M443 HydrophobicContact CG-SD 4.45Å; F405-M443 HydrophobicContact CZ-CG 3.76Å; F405-M443 HydrophobicContact CZ-SD 4.15Å
406G82.9Confident85.6Confident16 Ų1657.2 Ų57.217%0.16530%0.3CS..SBendtrans160.2177.8175.400000113.5M403 V408 Y430M403-G406 CarbonylContact C-O 3.57Å; M403-G406 CarbonylContact O-C 3.57Å; M403-G406 PolarHBondContact O-N 3.38Å; G406-V408 PolarHBondContact O-N 3.01Å; G406-Y430 WeakPolarHBondContact O-CE1 3.37Å
407N86.4Confident85.1Confident101 Ų10161.1 Ų61.154%0.5432%0.315SS..  trans-78.7111.9-178.8179.947.2000110.9V409 Y430 D431N407-V409 PolarHBondContact O-N 2.78Å; N407-Y430 WeakPolarHBondContact O-CA 3.49Å; N407-Y430 WeakPolarHBondContact O-CD1 3.38Å; N407-D431 WeakPolarHBondContact CB-OD2 3.44Å; N407-D431 PolarHBondContact ND2-OD2 3.3Å; N407-D431 PolarHBondContact O-N 3.44Å
408V87.5Confident84.6Confident17 Ų1766 Ų6610%0.10334%0.336CS..EExtended strand (participates in β ladder)trans-82.5116-178.2178.20000109.6L399 F402 G406 A411 V428 S429 Y430L399-V408 HydrophobicContact CD1-CG1 4.27Å; L399-V408 HydrophobicContact CG-CB 4.38Å; L399-V408 HydrophobicContact CG-CG1 4.26Å; F402-V408 HydrophobicContact CB-CG2 3.96Å; G406-V408 PolarHBondContact O-N 3.01Å; V408-A411 HydrophobicContact CG1-CB 4.11Å; V408-V428 HydrophobicContact CG1-CG1 3.86Å; V408-V428 HydrophobicContact CG2-CG1 4.05Å; V408-S429 CarbonylContact C-O 3.55Å; V408-Y430 HydrophobicContact CG2-CD1 4.18Å; V408-Y430 HydrophobicContact CG2-CE1 3.65Å
409V86.5Confident84.2Confident48 Ų4869.6 Ų69.629%0.29136%0.357SS..EExtended strand (participates in β ladder)trans-78.2-36.8177.7-1790000111.2K376 N407 S429 D431K376-V409 HydrophobicContact CB-CG1 4.09Å; K376-V409 HydrophobicContact CD-CG1 4.11Å; K376-V409 HydrophobicContact CG-CG1 3.97Å; K376-V409 WeakPolarHBondContact O-CG1 3.3Å; N407-V409 PolarHBondContact O-N 2.78Å; V409-S429 PolarHBondContact N-O 3.24Å; V409-D431 HydrophobicContact CG2-CB 3.62Å; V409-D431 VanDerWaalsContact CG2-N 3.34Å
410S81.2Confident83.6Confident22 Ų2273.5 Ų73.515%0.15438%0.379CS..EExtended strand (participates in β ladder)trans-158.5131.2178-173.10000110.9K376 V428 S429K376-S410 WeakPolarHBondContact O-CB 3.46Å; S410-V428 CarbonylContact O-C 3.55Å; S410-V428 WeakPolarHBondContact O-CA 3.41Å; S410-S429 PolarHBondContact N-O 3.15Å; S410-S429 PolarHBondContact O-N 2.86Å
411A87.8Confident82.9Confident18 Ų1870.6 Ų70.615%0.14937%0.367CS..EExtended strand (participates in β ladder)trans-121.6140.4169.600000109.1L398 L399 V408 F427 V428L398-A411 HydrophobicContact CB-CB 4.46Å; L398-A411 HydrophobicContact CD2-CB 4.37Å; L399-A411 HydrophobicContact CB-CB 3.98Å; L399-A411 HydrophobicContact CD1-CB 4.43Å; V408-A411 HydrophobicContact CG1-CB 4.11Å; A411-F427 WeakPolarHBondContact CA-O 3.3Å; A411-V428 HydrophobicContact CB-CG2 4.09Å
412K86.9Confident82.6Confident79 Ų7969.4 Ų69.434%0.34336%0.362SS..EExtended strand (participates in β ladder)trans-151.7130173-169.5176.6179.9178.40110.6Q375 G426 F427Q375-K412 HydrophobicContact CG-CD 4.49Å; K412-G426 CarbonylContact O-C 3.54Å; K412-G426 WeakPolarHBondContact O-CA 3.49Å; K412-F427 HydrophobicContact CB-CD1 4.08Å; K412-F427 HydrophobicContact CB-CD2 4.3Å; K412-F427 HydrophobicContact CB-CE1 3.38Å; K412-F427 HydrophobicContact CB-CE2 3.59Å; K412-F427 HydrophobicContact CB-CZ 3.06Å; K412-F427 HydrophobicContact CD-CE1 3.57Å; K412-F427 HydrophobicContact CD-CZ 3.39Å; K412-F427 HydrophobicContact CG-CE1 3.9Å; K412-F427 HydrophobicContact CG-CZ 3.81Å; K412-F427 PolarHBondContact N-O 3.37Å; K412-F427 PolarHBondContact O-N 3.02Å
413V88.4Confident82.2Confident12 Ų1274.2 Ų74.27%0.07338%0.383CS..EExtended strand (participates in β ladder)trans-94.5138.5169.1179.20000109L389 G394 L398 I415L389-V413 HydrophobicContact CD1-CG1 4.47Å; L389-V413 HydrophobicContact CD1-CG2 3.94Å; G394-V413 VanDerWaalsContact C-CG2 3.48Å; G394-V413 WeakPolarHBondContact O-CG2 3.37Å; L398-V413 HydrophobicContact CB-CG2 4.09Å; L398-V413 HydrophobicContact CD2-CG2 3.78Å; L398-V413 HydrophobicContact CG-CG2 4.45Å; V413-I415 HydrophobicContact CG1-CG1 4.43Å
414F85Confident82.1Confident73 Ų7370.4 Ų70.432%0.3237%0.367SS..EExtended strand (participates in β ladder)trans-88.9122.7172.2-75.5-89.9000109.8K423 F425 F427F414-K423 HydrophobicContact CB-CB 4.47Å; F414-K423 HydrophobicContact CB-CD 4.34Å; F414-K423 VanDerWaalsContact O-CB 3.3Å; F414-K423 WeakPolarHBondContact O-CB 3.36Å; F414-K423 PolarHBondContact O-N 2.83Å; F414-F425 HydrophobicContact CB-CD2 4.02Å; F414-F425 HydrophobicContact CB-CE1 4.49Å; F414-F425 HydrophobicContact CB-CE2 3.49Å; F414-F425 VanDerWaalsContact CB-CE2 3.49Å; F414-F425 HydrophobicContact CB-CZ 3.74Å; F414-F425 HydrophobicContact CD1-CE2 4.35Å; F414-F425 AromaticContact CD2-CD2 3.67Å; F414-F425 HydrophobicContact CD2-CD2 3.67Å; F414-F425 AromaticContact CD2-CE2 3.3Å; F414-F425 HydrophobicContact CD2-CE2 3.3Å; F414-F425 HydrophobicContact CD2-CZ 4.31Å; F414-F425 HydrophobicContact CE2-CD2 4.47Å; F414-F425 HydrophobicContact CE2-CE2 4.02Å; F414-F425 HydrophobicContact CG-CD2 4.15Å; F414-F425 AromaticContact CG-CE2 3.46Å; F414-F425 HydrophobicContact CG-CE2 3.46Å; F414-F425 VanDerWaalsContact CG-CE2 3.46Å; F414-F425 HydrophobicContact CG-CZ 4.05Å; F414-F425 PolarHBondContact N-O 3.31Å; F414-F427 HydrophobicContact CD2-CD1 4.47Å; F414-F427 AromaticContact CE2-CD1 3.62Å; F414-F427 HydrophobicContact CE2-CD1 3.62Å; F414-F427 AromaticContact CE2-CE1 3.71Å; F414-F427 HydrophobicContact CE2-CE1 3.71Å; F414-F427 HydrophobicContact CZ-CD1 4.27Å; F414-F427 AromaticContact CZ-CE1 3.96Å; F414-F427 HydrophobicContact CZ-CE1 3.96Å
415I84.6Confident82.1Confident81 Ų8168.4 Ų68.442%0.41535%0.348SS..EExtended strand (participates in β ladder)trans-108.2141.1177.6-55.8178.4000108.5V413 K417 N420 L421V413-I415 HydrophobicContact CG1-CG1 4.43Å; I415-K417 PolarHBondContact O-N 3.01Å; I415-N420 VanDerWaalsContact CG2-C 3.45Å; I415-N420 WeakPolarHBondContact CG2-O 3.31Å; I415-L421 WeakPolarHBondContact CG2-O 3.34Å
416D82.6Confident82.3Confident49 Ų4965.1 Ų65.126%0.26233%0.334SS..  trans-74.7122.7173.2-172.511.6000110.2Q418 T419 N420 L421 K423D416-Q418 PolarHBondContact O-N 3.45Å; D416-Q418 PolarHBondContact OD1-N 3.47Å; D416-T419 PolarHBondContact O-N 3.46Å; D416-T419 PolarHBondContact OD2-OG1 3.33Å; D416-N420 VanDerWaalsContact O-CA 3.24Å; D416-N420 WeakPolarHBondContact O-CA 3.25Å; D416-N420 PolarHBondContact O-N 3.32Å; D416-L421 PolarHBondContact N-O 2.83Å; D416-K423 HydrophobicContact CB-CG 4.03Å
417K75.8Confident82.7Confident193 Ų19364.8 Ų64.884%0.83933%0.328SS*.THydrogen-bonded Turntrans-69.9-22.3-173.2-168.4177.7176.6-1730112.6I415I415-K417 PolarHBondContact O-N 3.01Å
418Q75.8Confident82.8Confident179 Ų17960 Ų6084%0.83630%0.302SS*.THydrogen-bonded Turntrans-83.4-32.6-178.4-69.3-174.974.900112.7D416D416-Q418 PolarHBondContact O-N 3.45Å; D416-Q418 PolarHBondContact OD1-N 3.47Å
419T78.1Confident82.9Confident74 Ų7459.3 Ų59.345%0.45430%0.298SS..THydrogen-bonded Turntrans-112.2-11.7-173.858.60000112.4D416 L421D416-T419 PolarHBondContact O-N 3.46Å; D416-T419 PolarHBondContact OD2-OG1 3.33Å; T419-L421 WeakPolarHBondContact O-CD1 3.34Å; T419-L421 PolarHBondContact O-N 3.47Å; T419-L421 VanDerWaalsContact O-N 3.15Å; T419-L421 PolarHBondContact OG1-N 3.08Å
420N73.7Confident83Confident134 Ų13457 Ų5772%0.71728%0.284SS*.  trans55.915.2-168.1-78.4-79.8000114I415 D416I415-N420 VanDerWaalsContact CG2-C 3.45Å; I415-N420 WeakPolarHBondContact CG2-O 3.31Å; D416-N420 VanDerWaalsContact O-CA 3.24Å; D416-N420 WeakPolarHBondContact O-CA 3.25Å; D416-N420 PolarHBondContact O-N 3.32Å
421L73Confident83.3Confident74 Ų7459.4 Ų59.439%0.38730%0.295SS..  trans-88.1136.6175.9-86.469.4000109.9Q391 I415 D416 T419 K423Q391-L421 HydrophobicContact CG-CB 4.07Å; Q391-L421 HydrophobicContact CG-CD2 4.21Å; Q391-L421 HydrophobicContact CG-CG 3.89Å; I415-L421 WeakPolarHBondContact CG2-O 3.34Å; D416-L421 PolarHBondContact N-O 2.83Å; T419-L421 WeakPolarHBondContact O-CD1 3.34Å; T419-L421 PolarHBondContact O-N 3.47Å; T419-L421 VanDerWaalsContact O-N 3.15Å; T419-L421 PolarHBondContact OG1-N 3.08Å; L421-K423 PolarHBondContact O-N 3.49Å
422S77Confident83.2Confident11 Ų1161.8 Ų61.88%0.07731%0.305CS..EExtended strand (participates in β ladder)trans-57.7131.7173.1-72.30000110.2Q391 F393 C424Q391-S422 WeakPolarHBondContact O-CB 3.26Å; Q391-S422 PolarHBondContact O-OG 2.96Å; F393-S422 PolarHBondContact O-OG 3.15Å; S422-C424 PolarHBondContact O-N 3.03Å; S422-C424 PolarHBondContact O-SG 3.18Å
423K76.8Confident83.2Confident102 Ų10260.4 Ų60.444%0.44331%0.305SS..EExtended strand (participates in β ladder)trans-67.27.8174.6-59.1-169.3175.6-168.60112.8F414 D416 L421 F425F414-K423 HydrophobicContact CB-CB 4.47Å; F414-K423 HydrophobicContact CB-CD 4.34Å; F414-K423 VanDerWaalsContact O-CB 3.3Å; F414-K423 WeakPolarHBondContact O-CB 3.36Å; F414-K423 PolarHBondContact O-N 2.83Å; D416-K423 HydrophobicContact CB-CG 4.03Å; L421-K423 PolarHBondContact O-N 3.49Å; K423-F425 HydrophobicContact CB-CD1 3.58Å; K423-F425 HydrophobicContact CB-CE1 3.26Å; K423-F425 HydrophobicContact CB-CZ 4.02Å; K423-F425 HydrophobicContact CD-CE1 3.74Å; K423-F425 HydrophobicContact CD-CZ 3.84Å; K423-F425 HydrophobicContact CG-CE1 4.12Å; K423-F425 WeakPolarHBondContact O-CD1 3.41Å; K423-F425 PolarHBondContact O-N 3.38Å
424C82.3Confident83.2Confident28 Ų2864.4 Ų64.419%0.18933%0.329CS..EExtended strand (participates in β ladder)trans61.223.4-179.2-56.40000113.2Y387 H388 L389 S422Y387-C424 CarbonylContact C-O 3.49Å; H388-C424 WeakPolarHBondContact CA-O 3.41Å; H388-C424 PolarHBondContact N-O 3.47Å; L389-C424 PolarHBondContact N-O 3.18Å; L389-C424 WeakPolarHBondContact O-CA 3.33Å; L389-C424 WeakPolarHBondContact O-CB 3.44Å; L389-C424 PolarHBondContact O-SG 3.28Å; L389-C424 VanDerWaalsContact O-SG 3.4Å; S422-C424 PolarHBondContact O-N 3.03Å; S422-C424 PolarHBondContact O-SG 3.18Å
425F87.8Confident83.4Confident57 Ų5762 Ų6225%0.2532%0.321CS..EExtended strand (participates in β ladder)trans-143.2153.1173.869.6-97.5000112.3F385 I386 Y387 F414 K423F385-F425 HydrophobicContact CE1-CB 4.05Å; F385-F425 HydrophobicContact CE1-CD2 4.27Å; F385-F425 HydrophobicContact CE1-CG 4.44Å; F385-F425 HydrophobicContact CZ-CB 4.34Å; F385-F425 AromaticContact CZ-CD2 3.69Å; F385-F425 HydrophobicContact CZ-CD2 3.69Å; F385-F425 HydrophobicContact CZ-CE2 4.34Å; F385-F425 HydrophobicContact CZ-CG 4.25Å; I386-F425 CarbonylContact O-C 3.59Å; I386-F425 WeakPolarHBondContact O-CA 3.38Å; I386-F425 WeakPolarHBondContact O-CB 3.49Å; Y387-F425 HydrophobicContact CD1-CB 4.43Å; F414-F425 HydrophobicContact CB-CD2 4.02Å; F414-F425 HydrophobicContact CB-CE1 4.49Å; F414-F425 HydrophobicContact CB-CE2 3.49Å; F414-F425 VanDerWaalsContact CB-CE2 3.49Å; F414-F425 HydrophobicContact CB-CZ 3.74Å; F414-F425 HydrophobicContact CD1-CE2 4.35Å; F414-F425 AromaticContact CD2-CD2 3.67Å; F414-F425 HydrophobicContact CD2-CD2 3.67Å; F414-F425 AromaticContact CD2-CE2 3.3Å; F414-F425 HydrophobicContact CD2-CE2 3.3Å; F414-F425 HydrophobicContact CD2-CZ 4.31Å; F414-F425 HydrophobicContact CE2-CD2 4.47Å; F414-F425 HydrophobicContact CE2-CE2 4.02Å; F414-F425 HydrophobicContact CG-CD2 4.15Å; F414-F425 AromaticContact CG-CE2 3.46Å; F414-F425 HydrophobicContact CG-CE2 3.46Å; F414-F425 VanDerWaalsContact CG-CE2 3.46Å; F414-F425 HydrophobicContact CG-CZ 4.05Å; F414-F425 PolarHBondContact N-O 3.31Å; K423-F425 HydrophobicContact CB-CD1 3.58Å; K423-F425 HydrophobicContact CB-CE1 3.26Å; K423-F425 HydrophobicContact CB-CZ 4.02Å; K423-F425 HydrophobicContact CD-CE1 3.74Å; K423-F425 HydrophobicContact CD-CZ 3.84Å; K423-F425 HydrophobicContact CG-CE1 4.12Å; K423-F425 WeakPolarHBondContact O-CD1 3.41Å; K423-F425 PolarHBondContact O-N 3.38Å
426G88.9Confident83.5Confident0 Ų058.2 Ų58.20%030%0.301CS..EExtended strand (participates in β ladder)trans-156173.5-179.200000112.1I386 K412I386-G426 PolarHBondContact N-O 2.91Å; I386-G426 PolarHBondContact O-N 3.19Å; K412-G426 CarbonylContact O-C 3.54Å; K412-G426 WeakPolarHBondContact O-CA 3.49Å
427F90.5Very high83.8Confident9 Ų961.3 Ų61.34%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-122.1149.1169.462.2-95.5000110.7Q375 L384 A411 K412 F414Q375-F427 HydrophobicContact CG-CE2 4.22Å; Q375-F427 HydrophobicContact CG-CZ 3.66Å; L384-F427 VanDerWaalsContact O-CA 3.23Å; L384-F427 WeakPolarHBondContact O-CA 3.34Å; L384-F427 WeakPolarHBondContact O-CB 3.42Å; A411-F427 WeakPolarHBondContact CA-O 3.3Å; K412-F427 HydrophobicContact CB-CD1 4.08Å; K412-F427 HydrophobicContact CB-CD2 4.3Å; K412-F427 HydrophobicContact CB-CE1 3.38Å; K412-F427 HydrophobicContact CB-CE2 3.59Å; K412-F427 HydrophobicContact CB-CZ 3.06Å; K412-F427 HydrophobicContact CD-CE1 3.57Å; K412-F427 HydrophobicContact CD-CZ 3.39Å; K412-F427 HydrophobicContact CG-CE1 3.9Å; K412-F427 HydrophobicContact CG-CZ 3.81Å; K412-F427 PolarHBondContact N-O 3.37Å; K412-F427 PolarHBondContact O-N 3.02Å; F414-F427 HydrophobicContact CD2-CD1 4.47Å; F414-F427 AromaticContact CE2-CD1 3.62Å; F414-F427 HydrophobicContact CE2-CD1 3.62Å; F414-F427 AromaticContact CE2-CE1 3.71Å; F414-F427 HydrophobicContact CE2-CE1 3.71Å; F414-F427 HydrophobicContact CZ-CD1 4.27Å; F414-F427 AromaticContact CZ-CE1 3.96Å; F414-F427 HydrophobicContact CZ-CE1 3.96Å
428V89.8Confident84.5Confident1 Ų154.1 Ų54.11%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-131.6125.5172.8170.80000107.1L384 I386 L398 F402 V408 S410 A411 Y430L384-V428 WeakPolarHBondContact CA-O 3.34Å; L384-V428 HydrophobicContact CB-CB 4.47Å; L384-V428 WeakPolarHBondContact CB-O 3.34Å; L384-V428 PolarHBondContact N-O 2.96Å; L384-V428 PolarHBondContact O-N 2.72Å; I386-V428 HydrophobicContact CD1-CB 3.87Å; I386-V428 HydrophobicContact CD1-CG2 3.34Å; L398-V428 HydrophobicContact CD1-CG2 4.41Å; L398-V428 HydrophobicContact CD2-CG2 3.58Å; L398-V428 HydrophobicContact CG-CG2 3.62Å; F402-V428 HydrophobicContact CB-CG1 4.04Å; F402-V428 HydrophobicContact CB-CG2 4.45Å; F402-V428 HydrophobicContact CD1-CB 4.41Å; F402-V428 HydrophobicContact CD1-CG1 4.11Å; F402-V428 HydrophobicContact CD1-CG2 4.33Å; F402-V428 HydrophobicContact CD2-CG2 4.2Å; F402-V428 HydrophobicContact CG-CG1 4.17Å; F402-V428 HydrophobicContact CG-CG2 4.08Å; V408-V428 HydrophobicContact CG1-CG1 3.86Å; V408-V428 HydrophobicContact CG2-CG1 4.05Å; S410-V428 CarbonylContact O-C 3.55Å; S410-V428 WeakPolarHBondContact O-CA 3.41Å; A411-V428 HydrophobicContact CB-CG2 4.09Å; V428-Y430 HydrophobicContact CG1-CD2 4.17Å; V428-Y430 HydrophobicContact CG1-CE2 3.75Å
429S88.3Confident85.1Confident1 Ų145.6 Ų45.61%0.00725%0.251CS..EExtended strand (participates in β ladder)trans-106.3129.9171.4-172.50000109.6G378 N383 V408 V409 S410G378-S429 VanDerWaalsContact CA-OG 3.31Å; G378-S429 WeakPolarHBondContact CA-OG 3.4Å; G378-S429 PolarHBondContact N-OG 2.99Å; N383-S429 VanDerWaalsContact OD1-CB 3.25Å; N383-S429 WeakPolarHBondContact OD1-CB 3.46Å; N383-S429 PolarHBondContact OD1-OG 3.45Å; V408-S429 CarbonylContact C-O 3.55Å; V409-S429 PolarHBondContact N-O 3.24Å; S410-S429 PolarHBondContact N-O 3.15Å; S410-S429 PolarHBondContact O-N 2.86Å
430Y89.4Confident85.6Confident0 Ų043.7 Ų43.70%024%0.238CC..EExtended strand (participates in β ladder)trans-92.3166.4167.7-72.6-82.3000111.3A382 L384 F402 G406 N407 V408 V428 A436 A439A382-Y430 WeakPolarHBondContact CB-O 3.39Å; A382-Y430 PolarHBondContact O-N 3.46Å; L384-Y430 HydrophobicContact CD1-CD2 4.04Å; L384-Y430 HydrophobicContact CD1-CE2 3.56Å; L384-Y430 HydrophobicContact CG-CD2 4.24Å; L384-Y430 HydrophobicContact CG-CE2 4.23Å; F402-Y430 VanDerWaalsContact CB-OH 3.28Å; F402-Y430 WeakPolarHBondContact CB-OH 3.32Å; F402-Y430 HydrophobicContact CD1-CE2 4.23Å; F402-Y430 VanDerWaalsContact CD1-OH 3.27Å; F402-Y430 WeakPolarHBondContact CD1-OH 3.45Å; F402-Y430 PolarHBondContact O-OH 3.06Å; G406-Y430 WeakPolarHBondContact O-CE1 3.37Å; N407-Y430 WeakPolarHBondContact O-CA 3.49Å; N407-Y430 WeakPolarHBondContact O-CD1 3.38Å; V408-Y430 HydrophobicContact CG2-CD1 4.18Å; V408-Y430 HydrophobicContact CG2-CE1 3.65Å; V428-Y430 HydrophobicContact CG1-CD2 4.17Å; V428-Y430 HydrophobicContact CG1-CE2 3.75Å; Y430-A436 HydrophobicContact CD2-CB 3.82Å; Y430-A436 HydrophobicContact CG-CB 4.37Å; Y430-A439 HydrophobicContact CE2-CB 3.74Å; Y430-A439 WeakPolarHBondContact OH-CB 3.49Å
431D87.3Confident86.4Confident73 Ų7345.1 Ų45.139%0.3924%0.24SC..SBendtrans-81.6-21.5169.162.7-11.9000112.3P379 N407 V409P379-D431 VanDerWaalsContact CG-O 3.26Å; P379-D431 WeakPolarHBondContact CG-O 2.99Å; N407-D431 WeakPolarHBondContact CB-OD2 3.44Å; N407-D431 PolarHBondContact ND2-OD2 3.3Å; N407-D431 PolarHBondContact O-N 3.44Å; V409-D431 HydrophobicContact CG2-CB 3.62Å; V409-D431 VanDerWaalsContact CG2-N 3.34Å
432N85.6Confident87Confident67 Ų6744.2 Ų44.236%0.35824%0.244SC..  trans-127.7130.7-176.9-167.9-28000111.9V434 S435 A436N432-V434 PolarHBondContact O-N 3.33Å; N432-V434 WeakPolarHBondContact OD1-CB 3.32Å; N432-V434 WeakPolarHBondContact OD1-CG2 3.16Å; N432-V434 PolarHBondContact OD1-N 2.93Å; N432-S435 PolarHBondContact O-N 3.18Å; N432-A436 PolarHBondContact O-N 3.42Å
433P85.8Confident87.3Confident51 Ų5143.9 Ų43.933%0.33124%0.241SC..Hα-helixtrans-62.6-27.8174.726.4-36.6000113.5G381 A436 Q437G381-P433 WeakPolarHBondContact O-CB 3.39Å; P433-A436 PolarHBondContact O-N 2.74Å; P433-Q437 WeakPolarHBondContact O-CG 3.39Å; P433-Q437 PolarHBondContact O-N 3.49Å
434V89.2Confident87.8Confident95 Ų9542.9 Ų42.958%0.57624%0.24SC*.Hα-helixtrans-66-45.1176.9-179.50000110.5N432 A436 Q437 A438N432-V434 PolarHBondContact O-N 3.33Å; N432-V434 WeakPolarHBondContact OD1-CB 3.32Å; N432-V434 WeakPolarHBondContact OD1-CG2 3.16Å; N432-V434 PolarHBondContact OD1-N 2.93Å; V434-A436 VanDerWaalsContact C-N 3.31Å; V434-A436 PolarHBondContact O-N 3.27Å; V434-Q437 PolarHBondContact O-N 2.81Å; V434-A438 PolarHBondContact O-N 2.81Å
435S88.9Confident87.9Confident24 Ų2442.6 Ų42.617%0.16824%0.242CC..Hα-helixtrans-61.6-40.3174.6-64.10000112F405 N432 Q437 A438 A439F405-S435 WeakPolarHBondContact O-CB 3.36Å; N432-S435 PolarHBondContact O-N 3.18Å; S435-Q437 VanDerWaalsContact C-N 3.33Å; S435-Q437 PolarHBondContact O-N 2.89Å; S435-A438 PolarHBondContact O-N 3.02Å; S435-A439 WeakPolarHBondContact O-CB 2.86Å; S435-A439 PolarHBondContact O-N 3.17Å
436A87.9Confident87.8Confident0 Ų044.9 Ų44.90%025%0.252CS..Hα-helixtrans-61.7-40.3175.600000112.2A382 L384 Y430 N432 P433 V434 I440A382-A436 HydrophobicContact CB-CB 4.5Å; L384-A436 HydrophobicContact CD1-CB 4.49Å; L384-A436 HydrophobicContact CD2-CB 3.85Å; L384-A436 HydrophobicContact CG-CB 4.16Å; Y430-A436 HydrophobicContact CD2-CB 3.82Å; Y430-A436 HydrophobicContact CG-CB 4.37Å; N432-A436 PolarHBondContact O-N 3.42Å; P433-A436 PolarHBondContact O-N 2.74Å; V434-A436 VanDerWaalsContact C-N 3.31Å; V434-A436 PolarHBondContact O-N 3.27Å; A436-I440 VanDerWaalsContact O-CG1 3.3Å; A436-I440 WeakPolarHBondContact O-CG1 3.42Å; A436-I440 PolarHBondContact O-N 2.96Å
437Q88.6Confident87.4Confident114 Ų11450.8 Ų50.853%0.53328%0.28SS..Hα-helixtrans-67.7-42.5175.6-71.8178.3-1.200112.7P433 V434 S435 A439 I440 Q441P433-Q437 WeakPolarHBondContact O-CG 3.39Å; P433-Q437 PolarHBondContact O-N 3.49Å; V434-Q437 PolarHBondContact O-N 2.81Å; S435-Q437 VanDerWaalsContact C-N 3.33Å; S435-Q437 PolarHBondContact O-N 2.89Å; Q437-A439 VanDerWaalsContact C-N 3.32Å; Q437-A439 PolarHBondContact O-N 3.17Å; Q437-I440 PolarHBondContact O-N 3.27Å; Q437-Q441 WeakPolarHBondContact O-CG 3.17Å; Q437-Q441 PolarHBondContact O-N 2.88Å
438A88.9Confident86.8Confident42 Ų4251.7 Ų51.735%0.34729%0.285SS..Hα-helixtrans-60.8-42.7175.600000111.5V434 S435 I440 Q441 A442V434-A438 PolarHBondContact O-N 2.81Å; S435-A438 PolarHBondContact O-N 3.02Å; A438-I440 PolarHBondContact O-N 3.21Å; A438-Q441 PolarHBondContact O-N 3.22Å; A438-A442 WeakPolarHBondContact O-CB 3.49Å; A438-A442 PolarHBondContact O-N 3.5Å
439A88.5Confident86.2Confident0 Ų054.9 Ų54.90%032%0.317CS..Hα-helixtrans-62.4-41.3174.600000112.1L384 F402 F405 Y430 S435 Q437 Q441 M443L384-A439 HydrophobicContact CD1-CB 3.83Å; F402-A439 HydrophobicContact CD1-CB 4.27Å; F402-A439 HydrophobicContact CE1-CB 4.5Å; F405-A439 HydrophobicContact CB-CB 3.74Å; F405-A439 HydrophobicContact CG-CB 4.22Å; Y430-A439 HydrophobicContact CE2-CB 3.74Å; Y430-A439 WeakPolarHBondContact OH-CB 3.49Å; S435-A439 WeakPolarHBondContact O-CB 2.86Å; S435-A439 PolarHBondContact O-N 3.17Å; Q437-A439 VanDerWaalsContact C-N 3.32Å; Q437-A439 PolarHBondContact O-N 3.17Å; A439-Q441 PolarHBondContact O-N 3.42Å; A439-M443 WeakPolarHBondContact O-CA 3.42Å; A439-M443 WeakPolarHBondContact O-CB 3.26Å; A439-M443 WeakPolarHBondContact O-CG 3.44Å; A439-M443 PolarHBondContact O-N 3.47Å
440I90.1Very high85.7Confident35 Ų3564.1 Ų64.118%0.17936%0.363CS..Hα-helixtrans-59.4-48.2172.8-68.1161.1000110.1L384 A436 Q437 A438 A442 N444 V455 L457L384-I440 HydrophobicContact CD1-CG1 4.19Å; L384-I440 HydrophobicContact CD2-CD1 3.47Å; L384-I440 VanDerWaalsContact CD2-CD1 3.47Å; L384-I440 HydrophobicContact CD2-CG1 3.57Å; A436-I440 VanDerWaalsContact O-CG1 3.3Å; A436-I440 WeakPolarHBondContact O-CG1 3.42Å; A436-I440 PolarHBondContact O-N 2.96Å; Q437-I440 PolarHBondContact O-N 3.27Å; A438-I440 PolarHBondContact O-N 3.21Å; I440-A442 PolarHBondContact O-N 3.5Å; I440-N444 HydrophobicContact CG2-CB 4.15Å; I440-N444 WeakPolarHBondContact O-CA 3.34Å; I440-N444 WeakPolarHBondContact O-CB 3.27Å; I440-N444 PolarHBondContact O-N 3.01Å; I440-V455 HydrophobicContact CG1-CG1 3.9Å; I440-L457 HydrophobicContact CD1-CB 4.25Å
441Q88.8Confident85.1Confident164 Ų16469 Ų6977%0.76638%0.384SS*.Hα-helixtrans-64.3-39.4-176.3-70.8178.8300113Q437 A438 A439Q437-Q441 WeakPolarHBondContact O-CG 3.17Å; Q437-Q441 PolarHBondContact O-N 2.88Å; A438-Q441 PolarHBondContact O-N 3.22Å; A439-Q441 PolarHBondContact O-N 3.42Å
442A85.9Confident85Confident55 Ų5572.4 Ų72.446%0.45539%0.391SS..Hα-helixtrans-82.9-35.2-177.900000113.5F405 A438 I440F405-A442 HydrophobicContact CD1-CB 3.89Å; F405-A442 HydrophobicContact CE1-CB 3.37Å; F405-A442 HydrophobicContact CZ-CB 4.02Å; A438-A442 WeakPolarHBondContact O-CB 3.49Å; A438-A442 PolarHBondContact O-N 3.5Å; I440-A442 PolarHBondContact O-N 3.5Å
443M84.1Confident85.2Confident4 Ų469.2 Ų69.22%0.0238%0.375CS..Hα-helixtrans-104.9-19.3-171.3-56.6-171.57300114.1M401 F402 F405 A439 G445 F446 V455M401-M443 HydrophobicContact CB-CE 4.29Å; M401-M443 HydrophobicContact CE-CE 3.37Å; M401-M443 HydrophobicContact CG-CE 3.46Å; M401-M443 VanDerWaalsContact CG-CE 3.46Å; M401-M443 HydrophobicContact SD-CE 3.78Å; F402-M443 HydrophobicContact CD1-CE 4.25Å; F402-M443 HydrophobicContact CD1-SD 3.39Å; F402-M443 WeakPolarHBondContact CD1-SD 3.26Å; F402-M443 HydrophobicContact CD2-CE 3.61Å; F402-M443 HydrophobicContact CD2-SD 3.83Å; F402-M443 HydrophobicContact CE1-CB 4.41Å; F402-M443 HydrophobicContact CE1-CE 3.94Å; F402-M443 HydrophobicContact CE1-CG 4.46Å; F402-M443 HydrophobicContact CE1-SD 3.26Å; F402-M443 WeakPolarHBondContact CE1-SD 3.23Å; F402-M443 HydrophobicContact CE2-CE 3.27Å; F402-M443 HydrophobicContact CE2-SD 3.74Å; F402-M443 HydrophobicContact CG-CE 4.1Å; F402-M443 HydrophobicContact CG-SD 3.68Å; F402-M443 HydrophobicContact CZ-CB 4.38Å; F402-M443 HydrophobicContact CZ-CE 3.42Å; F402-M443 VanDerWaalsContact CZ-CE 3.42Å; F402-M443 HydrophobicContact CZ-SD 3.44Å; F402-M443 WeakPolarHBondContact CZ-SD 3.42Å; F405-M443 HydrophobicContact CD2-CG 3.95Å; F405-M443 HydrophobicContact CD2-SD 3.42Å; F405-M443 WeakPolarHBondContact CD2-SD 3.39Å; F405-M443 HydrophobicContact CE1-CG 4.48Å; F405-M443 HydrophobicContact CE2-CE 4.18Å; F405-M443 HydrophobicContact CE2-CG 3.46Å; F405-M443 VanDerWaalsContact CE2-CG 3.46Å; F405-M443 HydrophobicContact CE2-SD 3.23Å; F405-M443 WeakPolarHBondContact CE2-SD 3.39Å; F405-M443 HydrophobicContact CG-SD 4.45Å; F405-M443 HydrophobicContact CZ-CG 3.76Å; F405-M443 HydrophobicContact CZ-SD 4.15Å; A439-M443 WeakPolarHBondContact O-CA 3.42Å; A439-M443 WeakPolarHBondContact O-CB 3.26Å; A439-M443 WeakPolarHBondContact O-CG 3.44Å; A439-M443 PolarHBondContact O-N 3.47Å; M443-G445 PolarHBondContact O-N 2.86Å; M443-F446 VanDerWaalsContact O-CB 3.26Å; M443-F446 WeakPolarHBondContact O-CB 3.44Å; M443-F446 PolarHBondContact O-N 3.33Å; M443-V455 HydrophobicContact CB-CG2 3.89Å
444N87.7Confident85.3Confident80 Ų8071 Ų7143%0.42838%0.377SS..THydrogen-bonded Turntrans-68.2117172.5-175.337.8000109I440 K454 V455I440-N444 HydrophobicContact CG2-CB 4.15Å; I440-N444 WeakPolarHBondContact O-CA 3.34Å; I440-N444 WeakPolarHBondContact O-CB 3.27Å; I440-N444 PolarHBondContact O-N 3.01Å; N444-K454 WeakPolarHBondContact OD1-CA 3.35Å; N444-V455 HydrophobicContact CB-CB 4.11Å; N444-V455 PolarHBondContact OD1-N 3.3Å; N444-V455 VanDerWaalsContact OD1-N 3.15Å; N444-V455 PolarHBondContact OD1-O 2.97Å
445G84.4Confident85.3Confident22 Ų2266.6 Ų66.623%0.22735%0.35CS..THydrogen-bonded Turntrans92.34.3-173.900000113.9M443 Q447 R452 L453M443-G445 PolarHBondContact O-N 2.86Å; G445-Q447 PolarHBondContact O-N 2.98Å; G445-R452 VanDerWaalsContact CA-CG 3.47Å; G445-R452 VanDerWaalsContact O-CD 3.32Å; G445-R452 WeakPolarHBondContact O-CD 3.39Å; G445-R452 WeakPolarHBondContact O-CG 3.46Å; G445-R452 PolarHBondContact O-NH1 3.18Å; G445-L453 WeakPolarHBondContact CA-O 3.28Å; G445-L453 PolarHBondContact N-O 3.35Å
446F84.2Confident85.2Confident105 Ų10569.4 Ų69.446%0.46136%0.361SS..  trans-66.3128.5176.8-171.3-100.5000110.8M443 I448 R452 L453M443-F446 VanDerWaalsContact O-CB 3.26Å; M443-F446 WeakPolarHBondContact O-CB 3.44Å; M443-F446 PolarHBondContact O-N 3.33Å; F446-I448 HydrophobicContact CD1-CB 4.35Å; F446-I448 HydrophobicContact CE1-CB 4.45Å; F446-R452 WeakPolarHBondContact O-CA 3.44Å; F446-L453 HydrophobicContact CB-CB 4.43Å; F446-L453 HydrophobicContact CB-CD1 4.33Å; F446-L453 HydrophobicContact CD1-CD1 4.11Å; F446-L453 PolarHBondContact O-N 2.68Å
447Q82.1Confident85.2Confident125 Ų12573.4 Ų73.458%0.58438%0.382SS*.EExtended strand (participates in β ladder)trans-87.4119.7-179.2-175.3170.62.500109.6G445G445-Q447 PolarHBondContact O-N 2.98Å
448I78.1Confident84.8Confident28 Ų2870.9 Ų70.914%0.14437%0.369CS..EExtended strand (participates in β ladder)trans-128.4114.4178.1-166.3162.2000109.4P390 F393 M401 F446 M450 K451 L453P390-I448 HydrophobicContact CG-CB 4.32Å; P390-I448 HydrophobicContact CG-CD1 3.94Å; P390-I448 HydrophobicContact CG-CG1 3.81Å; P390-I448 HydrophobicContact CG-CG2 3.65Å; F393-I448 HydrophobicContact CD2-CD1 4.31Å; F393-I448 HydrophobicContact CE1-CD1 4.04Å; F393-I448 HydrophobicContact CE2-CD1 3.38Å; F393-I448 HydrophobicContact CE2-CG1 4.41Å; F393-I448 HydrophobicContact CZ-CD1 3.21Å; M401-I448 HydrophobicContact SD-CD1 4.18Å; F446-I448 HydrophobicContact CD1-CB 4.35Å; F446-I448 HydrophobicContact CE1-CB 4.45Å; I448-M450 PolarHBondContact O-N 3.21Å; I448-K451 PolarHBondContact N-O 3.45Å; I448-K451 PolarHBondContact O-N 3.43Å; I448-L453 HydrophobicContact CG2-CD1 4.1Å; I448-L453 HydrophobicContact CG2-CD2 3.52Å; I448-L453 HydrophobicContact CG2-CG 3.6Å
449G76.6Confident84Confident67 Ų6777.6 Ų77.669%0.69139%0.385SS*.THydrogen-bonded Turntrans57.3-122.6-168.700000112.1
450M77Confident82.7Confident195 Ų19579.8 Ų79.896%0.96140%0.401SS*.THydrogen-bonded Turntrans-94.22.7-178.9-65176.8-9200113.9I448I448-M450 PolarHBondContact O-N 3.21Å
451K77.9Confident81.1Confident103 Ų10387.2 Ų87.245%0.44843%0.432SS..EExtended strand (participates in β ladder)trans-126.2152.1-172.8-80.4175.8153.7174.70111.2H388 I448H388-K451 HydrophobicContact CB-CB 4.37Å; I448-K451 PolarHBondContact N-O 3.45Å; I448-K451 PolarHBondContact O-N 3.43Å
452R85.3Confident79.3Confident144 Ų14486.2 Ų86.254%0.54343%0.431SS..EExtended strand (participates in β ladder)trans-105.1121.3175.8-168.8179-64.3-94.32.3109.6H388 G445 F446H388-R452 WeakPolarHBondContact CB-O 3.2Å; H388-R452 PolarHBondContact ND1-O 2.92Å; H388-R452 VanDerWaalsContact ND1-O 3.08Å; G445-R452 VanDerWaalsContact CA-CG 3.47Å; G445-R452 VanDerWaalsContact O-CD 3.32Å; G445-R452 WeakPolarHBondContact O-CD 3.39Å; G445-R452 WeakPolarHBondContact O-CG 3.46Å; G445-R452 PolarHBondContact O-NH1 3.18Å; F446-R452 WeakPolarHBondContact O-CA 3.44Å
453L89Confident77.6Confident1 Ų188.4 Ų88.41%0.00544%0.436CS..  trans-61.6137.9176-63.2-174000109.9H388 L389 M401 G445 F446 I448H388-L453 WeakPolarHBondContact O-CD2 3.35Å; L389-L453 HydrophobicContact CD2-CD2 3.78Å; M401-L453 HydrophobicContact CE-CD1 3.43Å; M401-L453 VanDerWaalsContact CE-CD1 3.43Å; M401-L453 HydrophobicContact SD-CD1 4.27Å; G445-L453 WeakPolarHBondContact CA-O 3.28Å; G445-L453 PolarHBondContact N-O 3.35Å; F446-L453 HydrophobicContact CB-CB 4.43Å; F446-L453 HydrophobicContact CB-CD1 4.33Å; F446-L453 HydrophobicContact CD1-CD1 4.11Å; F446-L453 PolarHBondContact O-N 2.68Å; I448-L453 HydrophobicContact CG2-CD1 4.1Å; I448-L453 HydrophobicContact CG2-CD2 3.52Å; I448-L453 HydrophobicContact CG2-CG 3.6Å
454K87.4Confident75.8Confident89 Ų8992 Ų9239%0.38746%0.461SS..EExtended strand (participates in β ladder)trans-121.4110.8173.9178.4-175.9-174.7-176.50108.2I386 Y387 N444 Q456I386-K454 CarbonylContact C-O 3.51Å; I386-K454 WeakPolarHBondContact CA-O 3.43Å; Y387-K454 HydrophobicContact CD2-CD 4.36Å; Y387-K454 HydrophobicContact CD2-CG 4.46Å; Y387-K454 PolarHBondContact N-O 3.08Å; Y387-K454 PolarHBondContact O-N 3.26Å; N444-K454 WeakPolarHBondContact OD1-CA 3.35Å; K454-Q456 HydrophobicContact CG-CG 4.29Å
455V90.3Very high73.4Confident2 Ų296.3 Ų96.31%0.01248%0.476CS..EExtended strand (participates in β ladder)trans-105.7123.5-177.7-170.60000107.8L384 I386 F402 I440 M443 N444L384-V455 HydrophobicContact CB-CG1 4.21Å; L384-V455 HydrophobicContact CD1-CG1 3.74Å; L384-V455 HydrophobicContact CG-CG1 4.44Å; I386-V455 HydrophobicContact CG1-CG1 4.08Å; I386-V455 HydrophobicContact CG1-CG2 4.22Å; I386-V455 HydrophobicContact CG2-CG2 4.33Å; F402-V455 HydrophobicContact CE1-CG1 4.17Å; F402-V455 HydrophobicContact CE1-CG2 4.36Å; F402-V455 HydrophobicContact CZ-CG2 4.04Å; I440-V455 HydrophobicContact CG1-CG1 3.9Å; M443-V455 HydrophobicContact CB-CG2 3.89Å; N444-V455 HydrophobicContact CB-CB 4.11Å; N444-V455 PolarHBondContact OD1-N 3.3Å; N444-V455 VanDerWaalsContact OD1-N 3.15Å; N444-V455 PolarHBondContact OD1-O 2.97Å
456Q86.7Confident71.7Confident83 Ų83101 Ų10139%0.38850%0.503SS..EExtended strand (participates in β ladder)trans-130.4154.8179.8-66.2-164.6-27.300110.3L384 F385 K454 K458L384-Q456 CarbonylContact C-O 3.58Å; L384-Q456 WeakPolarHBondContact CA-O 3.38Å; F385-Q456 PolarHBondContact N-O 3Å; F385-Q456 PolarHBondContact O-N 3.42Å; K454-Q456 HydrophobicContact CG-CG 4.29Å; Q456-K458 PolarHBondContact O-N 3.28Å
457L87.9Confident69.7Low84 Ų84105.8 Ų105.844%0.4452%0.519SS..EExtended strand (participates in β ladder)trans-68.5130.6169.3-167.772.7000109.5G381 N383 L384 I440 R459G381-L457 WeakPolarHBondContact O-CD1 3.41Å; N383-L457 VanDerWaalsContact O-CD1 3.27Å; N383-L457 WeakPolarHBondContact O-CD1 3.4Å; L384-L457 HydrophobicContact CD2-CD1 4.05Å; I440-L457 HydrophobicContact CD1-CB 4.25Å; L457-R459 PolarHBondContact O-N 2.7Å
458K80.9Confident69Low61 Ų61104.8 Ų104.827%0.26552%0.516SS..PPolyproline II helixtrans-65.2120.3173.4-175.5-168.8178.2-167.80107.9E377 N383 Q456 S460E377-K458 IonicContact OE1-NZ 2.81Å; E377-K458 PolarHBondContact OE1-NZ 3.21Å; E377-K458 IonicContact OE2-NZ 2.62Å; E377-K458 PolarHBondContact OE2-NZ 2.91Å; N383-K458 HydrophobicContact CB-CB 3.73Å; N383-K458 HydrophobicContact CB-CD 3.75Å; N383-K458 HydrophobicContact CB-CG 4.38Å; N383-K458 VanDerWaalsContact O-CB 3.31Å; N383-K458 WeakPolarHBondContact O-CB 3.49Å; N383-K458 PolarHBondContact O-N 2.91Å; Q456-K458 PolarHBondContact O-N 3.28Å; K458-S460 PolarHBondContact O-N 3.41Å
459R71.5Confident68.6Low182 Ų182108.8 Ų108.869%0.68754%0.535SS*.PPolyproline II helixtrans-60.4130.1173.7-66.6-170.1-172.5-171.21.3109.3L457L457-R459 PolarHBondContact O-N 2.7Å
460S61.4Low68.1Low46 Ų46111.2 Ų111.232%0.32253%0.527SS..PPolyproline II helixtrans-60.9148.9173.756.90000108.9E380 K458 N462 D463E380-S460 WeakPolarHBondContact OE1-CB 3.28Å; K458-S460 PolarHBondContact O-N 3.41Å; S460-N462 PolarHBondContact O-N 2.99Å; S460-D463 PolarHBondContact O-N 3.22Å
461K56.5Low67.6Low191 Ų191106.2 Ų106.283%0.8350%0.501SS*.THydrogen-bonded Turntrans-63.5-11.7-176.7-164.1152.1-178.1173.10113.1
462N49.9Very low66.9Low143 Ų143106.4 Ų106.477%0.76550%0.504SS*.THydrogen-bonded Turntrans-78-18.6171.6-84.4-11000114.4S460S460-N462 PolarHBondContact O-N 2.99Å
463D50.5Low65.7Low102 Ų102103.9 Ų103.955%0.54550%0.502SS..THydrogen-bonded Turntrans-97.3-13.7-178-151.8-104.2000112.8S460 K465S460-D463 PolarHBondContact O-N 3.22Å; D463-K465 PolarHBondContact O-N 3Å
464S45.9Very low64.1Low78 Ų78111.3 Ų111.355%0.54554%0.537SS..  trans-82.411.3-177.3-58.20000114.8P466S464-P466 WeakPolarHBondContact O-CD 3.5Å
465K37.6Very low62.3Low171 Ų171113 Ų11374%0.74355%0.549SS*.  trans-92.799.8164.6-77.6170.9178.9177.10106.7D463 Y467D463-K465 PolarHBondContact O-N 3Å; K465-Y467 PolarHBondContact O-N 3.35Å
466P49.4Very low59.9Low122 Ų122122.3 Ų122.379%0.79259%0.594SS**  trans-57115.5156.527.2-29.7000104.2S464S464-P466 WeakPolarHBondContact O-CD 3.5Å
467Y41.1Very low57.5Low204 Ų204125.8 Ų125.880%0.861%0.612SS**  trans-43.60176.8-122.7-98.3000107.8P2 K465P2-Y467 WeakPolarHBondContact CD-O 3.4Å; P2-Y467 WeakPolarHBondContact CD-OXT 3.46Å; P2-Y467 HydrophobicContact CG-CD1 4.46Å; P2-Y467 WeakPolarHBondContact CG-O 3.32Å; P2-Y467 WeakPolarHBondContact CG-OXT 3.41Å; K465-Y467 PolarHBondContact O-N 3.35Å

Retrieved 467 of 467 residues in 641.5 ms (Link to these results)

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