A0A087XKM7_POEFO Loading...

E2F transcription factor 5

AlphaFold DB , UniProt , Accession A0A087XKM7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 152 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M41.4Very low45.8Very low253 Ų253165.2 Ų165.2100%1.24683%0.834SS**  087.80-128.3177.7-169.200105.5
2E37.5Very low46.4Very low197 Ų197162.1 Ų162.192%0.92183%0.83SS**  trans-114.2128.7-170.7-137.7159.1152.800108.5E4E2-E4 PolarHBondContact O-N 2.76Å
3L42.8Very low47.4Very low161 Ų161154.8 Ų154.884%0.84380%0.802SS**  trans-79.2112.2-163.6-152.384000109.7R5L3-R5 PolarHBondContact O-N 3.27Å
4E41.1Very low48.3Very low188 Ų188147.9 Ų147.988%0.87977%0.774SS**  trans-65.9112.6171.9-73.4-175.615500110.1E2 T6E2-E4 PolarHBondContact O-N 2.76Å; E4-T6 PolarHBondContact O-N 3.1Å
5R46.1Very low49.3Very low225 Ų225152.7 Ų152.785%0.84978%0.778SS**  trans-79.2109.7168-68.9-172.8-164.8931.3108.6L3 V7L3-R5 PolarHBondContact O-N 3.27Å; R5-V7 PolarHBondContact O-N 2.84Å; R5-V7 VanDerWaalsContact O-N 3.12Å
6T45.2Very low50.5Low126 Ų126151.6 Ų151.677%0.77377%0.768SS**  trans-63.1108166.5450000109.7E4 T8E4-T6 PolarHBondContact O-N 3.1Å; T6-T8 PolarHBondContact O-N 2.96Å
7V49.1Very low51.6Low130 Ų130150.1 Ų150.179%0.78876%0.757SS**  trans-70.298.4171177.30000107.7R5 V9R5-V7 PolarHBondContact O-N 2.84Å; R5-V7 VanDerWaalsContact O-N 3.12Å; V7-V9 PolarHBondContact O-N 3.41Å
8T47.3Very low52.9Low98 Ų98150.3 Ų150.360%0.60175%0.753SS**  trans-70.8105.4168.147.10000108.7T6 R10T6-T8 PolarHBondContact O-N 2.96Å; T8-R10 VanDerWaalsContact C-N 3.32Å; T8-R10 PolarHBondContact O-N 3.24Å
9V51.1Low54.7Low139 Ų139144.2 Ų144.284%0.84273%0.725SS**  trans-64.393.9168178.70000107.6V7 S11V7-V9 PolarHBondContact O-N 3.41Å; V9-S11 PolarHBondContact O-N 3.27Å; V9-S11 VanDerWaalsContact O-N 3.15Å
10R47.7Very low56.3Low208 Ų208140.8 Ų140.879%0.78571%0.709SS**  trans-72.4103.9174.4-81.6-176.6-123.9-177.90.2109.7T8 T12T8-R10 VanDerWaalsContact C-N 3.32Å; T8-R10 PolarHBondContact O-N 3.24Å; R10-T12 PolarHBondContact O-N 3.24Å; R10-T12 VanDerWaalsContact O-N 3.08Å
11S54.9Low57.8Low92 Ų92136.2 Ų136.264%0.64370%0.698SS**  trans-6.390.7154.948.50000116.7V9 S13V9-S11 PolarHBondContact O-N 3.27Å; V9-S11 VanDerWaalsContact O-N 3.15Å; S11-S13 VanDerWaalsContact C-N 3.31Å
12T52.1Low60Low128 Ų128126.6 Ų126.679%0.78565%0.651SS**SBendtrans-81.5-9.3167.351.80000113.1R10R10-T12 PolarHBondContact O-N 3.24Å; R10-T12 VanDerWaalsContact O-N 3.08Å
13S59.3Low62.5Low68 Ų68117.9 Ų117.948%0.47661%0.611SS.*Hα-helixtrans-64.5-39.2-177.756.40000113.9S11 R15 H16 E17S11-S13 VanDerWaalsContact C-N 3.31Å; S13-R15 VanDerWaalsContact C-N 3.28Å; S13-R15 PolarHBondContact O-N 2.98Å; S13-R15 VanDerWaalsContact O-N 3.17Å; S13-H16 PolarHBondContact O-N 3.38Å; S13-E17 PolarHBondContact O-N 3.44Å
14S60.7Low64.8Low57 Ų57112.3 Ų112.340%0.39958%0.583SS.*Hα-helixtrans-61.8-28.1-173.6172.30000114.7
15R62.9Low67.1Low221 Ų221110.1 Ų110.183%0.83458%0.575SS**Hα-helixtrans-78.8-36179.8-168.2179.1-178.6-153.90.7112S13 K18S13-R15 VanDerWaalsContact C-N 3.28Å; S13-R15 PolarHBondContact O-N 2.98Å; S13-R15 VanDerWaalsContact O-N 3.17Å; R15-K18 PolarHBondContact O-N 3.01Å
16H69.1Low69.2Low135 Ų135104.4 Ų104.463%0.62556%0.556SS**Hα-helixtrans-72-36.6-175.9-165.476.1000112S13 K18 S19S13-H16 PolarHBondContact O-N 3.38Å; H16-K18 PolarHBondContact O-N 3.46Å; H16-K18 VanDerWaalsContact O-N 3.13Å; H16-S19 VanDerWaalsContact O-CB 3.26Å; H16-S19 WeakPolarHBondContact O-CB 3.28Å; H16-S19 PolarHBondContact O-N 3.16Å; H16-S19 PolarHBondContact O-OG 2.86Å
17E69.4Low71.3Confident125 Ų12598.4 Ų98.458%0.58452%0.519SS*.THydrogen-bonded Turntrans-60.4-21.7176.4-69.4172.7-169.700113.9S13S13-E17 PolarHBondContact O-N 3.44Å
18K75.4Confident73.2Confident155 Ų15593.9 Ų93.967%0.67449%0.492SS*.THydrogen-bonded Turntrans-107.98.9179.2-60.2176.7-172.9167.30112.9R15 H16R15-K18 PolarHBondContact O-N 3.01Å; H16-K18 PolarHBondContact O-N 3.46Å; H16-K18 VanDerWaalsContact O-N 3.13Å
19S85.4Confident75.2Confident33 Ų3391.9 Ų91.923%0.23148%0.482CS..  trans-68.2145.9-178.868.70000111.2H16 G21 L22 L23H16-S19 VanDerWaalsContact O-CB 3.26Å; H16-S19 WeakPolarHBondContact O-CB 3.28Å; H16-S19 PolarHBondContact O-N 3.16Å; H16-S19 PolarHBondContact O-OG 2.86Å; S19-G21 PolarHBondContact O-N 2.96Å; S19-L22 PolarHBondContact O-N 3.13Å; S19-L22 WeakPolarHBondContact OG-CB 3.38Å; S19-L22 PolarHBondContact OG-N 3.47Å; S19-L23 WeakPolarHBondContact O-CG 3.38Å; S19-L23 PolarHBondContact O-N 3.07Å
20L87.3Confident77Confident76 Ų7687.1 Ų87.140%0.39845%0.451SS..Hα-helixtrans-59.7-38.6175.3-171.967.9000110.8L22 L23 T24 R55 D58 I59L20-L22 PolarHBondContact O-N 3.11Å; L20-L23 WeakPolarHBondContact O-CB 3.25Å; L20-L23 PolarHBondContact O-N 2.92Å; L20-T24 PolarHBondContact O-N 3.06Å; L20-T24 PolarHBondContact O-OG1 2.88Å; L20-R55 HydrophobicContact CD1-CB 4.35Å; L20-D58 HydrophobicContact CD1-CB 3.97Å; L20-D58 HydrophobicContact CD2-CB 4.28Å; L20-I59 HydrophobicContact CD1-CD1 4.32Å; L20-I59 HydrophobicContact CD1-CG1 3.91Å
21G88.5Confident78.9Confident46 Ų4677.3 Ų77.347%0.47441%0.414SS..Hα-helixtrans-58.3-44.5178.300000113.5S19 T24 M25S19-G21 PolarHBondContact O-N 2.96Å; G21-T24 PolarHBondContact O-N 3.05Å; G21-M25 PolarHBondContact O-N 3.09Å
22L88.1Confident80.3Confident50 Ų5078.1 Ų78.126%0.26241%0.408SS..Hα-helixtrans-66.2-39.7177-173.967.1000111.9S19 L20 T24 M25 K26S19-L22 PolarHBondContact O-N 3.13Å; S19-L22 WeakPolarHBondContact OG-CB 3.38Å; S19-L22 PolarHBondContact OG-N 3.47Å; L20-L22 PolarHBondContact O-N 3.11Å; L22-T24 VanDerWaalsContact C-N 3.35Å; L22-M25 PolarHBondContact O-N 2.81Å; L22-K26 PolarHBondContact O-N 2.88Å; L22-K26 VanDerWaalsContact O-N 3.1Å
23L89.4Confident81.9Confident15 Ų1579.3 Ų79.38%0.07941%0.405CS..Hα-helixtrans-64-41.4175.1-65.4176.4000111.3S19 L20 K26 F27 L48 V50 R55 I59S19-L23 WeakPolarHBondContact O-CG 3.38Å; S19-L23 PolarHBondContact O-N 3.07Å; L20-L23 WeakPolarHBondContact O-CB 3.25Å; L20-L23 PolarHBondContact O-N 2.92Å; L23-K26 PolarHBondContact O-N 3.12Å; L23-F27 VanDerWaalsContact O-CB 3.24Å; L23-F27 WeakPolarHBondContact O-CB 3.42Å; L23-F27 PolarHBondContact O-N 3.47Å; L23-L48 HydrophobicContact CB-CD2 4.31Å; L23-L48 HydrophobicContact CD2-CD2 3.98Å; L23-L48 VanDerWaalsContact O-CD2 3.26Å; L23-L48 WeakPolarHBondContact O-CD2 3.37Å; L23-V50 HydrophobicContact CD1-CG1 4.49Å; L23-V50 HydrophobicContact CD2-CG2 3.98Å; L23-R55 HydrophobicContact CD1-CB 3.77Å; L23-R55 HydrophobicContact CD1-CG 3.82Å; L23-I59 HydrophobicContact CB-CD1 3.97Å
24T90.7Very high83Confident44 Ų4476.8 Ų76.827%0.2739%0.388SS..Hα-helixtrans-61.8-45.8176.1-55.20000111L20 G21 L22 K26 F27 V28 I59L20-T24 PolarHBondContact O-N 3.06Å; L20-T24 PolarHBondContact O-OG1 2.88Å; G21-T24 PolarHBondContact O-N 3.05Å; L22-T24 VanDerWaalsContact C-N 3.35Å; T24-K26 PolarHBondContact O-N 3.01Å; T24-F27 PolarHBondContact O-N 3.22Å; T24-V28 HydrophobicContact CG2-CG2 4.36Å; T24-V28 VanDerWaalsContact O-CG2 3.32Å; T24-V28 WeakPolarHBondContact O-CG2 3.31Å; T24-V28 PolarHBondContact O-N 3.35Å; T24-I59 HydrophobicContact CG2-CG2 4.42Å
25M90.2Very high83.7Confident141 Ų14182.4 Ų82.470%0.69541%0.405SS*.Hα-helixtrans-59.9-48.7178.3-74.7-160.516500112G21 L22 F27 V28 S29G21-M25 PolarHBondContact O-N 3.09Å; L22-M25 PolarHBondContact O-N 2.81Å; M25-F27 VanDerWaalsContact C-N 3.32Å; M25-F27 PolarHBondContact O-N 2.96Å; M25-V28 PolarHBondContact O-N 3.42Å; M25-S29 PolarHBondContact O-N 3.06Å; M25-S29 PolarHBondContact O-OG 3.3Å
26K89.3Confident84.2Confident106 Ų10677.2 Ų77.246%0.46139%0.394SS..Hα-helixtrans-61.1-40.1175.8-72.3-178.7178.3-173.80112.5L22 L23 T24 S29 L30 L48L22-K26 PolarHBondContact O-N 2.88Å; L22-K26 VanDerWaalsContact O-N 3.1Å; L23-K26 PolarHBondContact O-N 3.12Å; T24-K26 PolarHBondContact O-N 3.01Å; K26-S29 PolarHBondContact O-N 3.46Å; K26-L30 WeakPolarHBondContact O-CG 3.47Å; K26-L30 PolarHBondContact O-N 3.28Å; K26-L48 HydrophobicContact CB-CD2 3.5Å; K26-L48 HydrophobicContact CD-CD2 4.42Å
27F89.6Confident84.8Confident0 Ų070.8 Ų70.80%037%0.365CS..Hα-helixtrans-63.1-43.5177.9-173.3-82.7000111.3L23 T24 M25 L30 L31 L39 L41 A44 L48 I56 I59 T60 L63 I77L23-F27 VanDerWaalsContact O-CB 3.24Å; L23-F27 WeakPolarHBondContact O-CB 3.42Å; L23-F27 PolarHBondContact O-N 3.47Å; T24-F27 PolarHBondContact O-N 3.22Å; M25-F27 VanDerWaalsContact C-N 3.32Å; M25-F27 PolarHBondContact O-N 2.96Å; F27-L30 PolarHBondContact O-N 2.78Å; F27-L31 HydrophobicContact CE1-CD2 4.19Å; F27-L31 WeakPolarHBondContact O-CB 3.36Å; F27-L31 PolarHBondContact O-N 2.98Å; F27-L39 HydrophobicContact CE1-CD2 4.24Å; F27-L39 HydrophobicContact CE2-CD2 4.23Å; F27-L39 HydrophobicContact CZ-CD2 3.97Å; F27-L41 HydrophobicContact CE2-CD2 4.19Å; F27-L41 HydrophobicContact CZ-CD2 4.05Å; F27-A44 HydrophobicContact CD2-CB 4.43Å; F27-A44 HydrophobicContact CE2-CB 4.17Å; F27-L48 HydrophobicContact CB-CD1 4.02Å; F27-L48 HydrophobicContact CB-CD2 4.41Å; F27-L48 HydrophobicContact CD2-CD1 3.57Å; F27-L48 HydrophobicContact CG-CD1 4.28Å; F27-I56 HydrophobicContact CD2-CD1 4.12Å; F27-I56 HydrophobicContact CE2-CD1 4.19Å; F27-I56 HydrophobicContact CE2-CG2 4.37Å; F27-I59 HydrophobicContact CB-CD1 4.31Å; F27-I59 HydrophobicContact CB-CG2 4.37Å; F27-I59 HydrophobicContact CD1-CG2 3.79Å; F27-I59 HydrophobicContact CD2-CG2 4.48Å; F27-I59 HydrophobicContact CE1-CG2 4.17Å; F27-I59 HydrophobicContact CG-CG2 3.97Å; F27-T60 HydrophobicContact CZ-CG2 4.02Å; F27-L63 HydrophobicContact CD1-CD1 4.2Å; F27-L63 HydrophobicContact CE1-CD1 4.08Å; F27-I77 HydrophobicContact CE1-CD1 3.83Å; F27-I77 HydrophobicContact CZ-CD1 3.52Å
28V89.4Confident85.6Confident35 Ų3567.8 Ų67.821%0.21235%0.354CS..Hα-helixtrans-65.5-40.2177.1172.10000111.2T24 M25 L30 L31 Q32T24-V28 HydrophobicContact CG2-CG2 4.36Å; T24-V28 VanDerWaalsContact O-CG2 3.32Å; T24-V28 WeakPolarHBondContact O-CG2 3.31Å; T24-V28 PolarHBondContact O-N 3.35Å; M25-V28 PolarHBondContact O-N 3.42Å; V28-L30 PolarHBondContact O-N 2.91Å; V28-L31 WeakPolarHBondContact O-CB 3.23Å; V28-L31 PolarHBondContact O-N 3.19Å; V28-Q32 HydrophobicContact CG1-CG 4.36Å; V28-Q32 WeakPolarHBondContact O-CG 3.45Å; V28-Q32 PolarHBondContact O-N 3.01Å
29S89.3Confident86.3Confident55 Ų5561 Ų6139%0.38533%0.326SS..Hα-helixtrans-59.2-47.1174-600000112M25 K26 L31 Q32 E33M25-S29 PolarHBondContact O-N 3.06Å; M25-S29 PolarHBondContact O-OG 3.3Å; K26-S29 PolarHBondContact O-N 3.46Å; S29-L31 VanDerWaalsContact C-N 3.26Å; S29-L31 PolarHBondContact O-N 2.95Å; S29-Q32 PolarHBondContact O-N 3.14Å; S29-E33 WeakPolarHBondContact O-CG 3.32Å; S29-E33 PolarHBondContact O-N 3.2Å
30L88.9Confident86.5Confident40 Ų4061.8 Ų61.821%0.20933%0.327CS..Hα-helixtrans-60.5-37.6175.8-69.9170.4000112.3K26 F27 V28 A34 L39 A44 L48K26-L30 WeakPolarHBondContact O-CG 3.47Å; K26-L30 PolarHBondContact O-N 3.28Å; F27-L30 PolarHBondContact O-N 2.78Å; V28-L30 PolarHBondContact O-N 2.91Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 2.82Å; L30-L39 HydrophobicContact CB-CD1 4.19Å; L30-L39 HydrophobicContact CB-CD2 4.47Å; L30-A44 HydrophobicContact CD1-CB 4.38Å; L30-L48 HydrophobicContact CD1-CD1 4.33Å; L30-L48 HydrophobicContact CD1-CG 4.25Å
31L87.6Confident86.5Confident1 Ų159.3 Ų59.31%0.00531%0.314CS..Hα-helixtrans-68.5-37.4178.5-168.856.7000112.1F27 V28 S29 A34 L39 I69 I77 W79 Q82F27-L31 HydrophobicContact CE1-CD2 4.19Å; F27-L31 WeakPolarHBondContact O-CB 3.36Å; F27-L31 PolarHBondContact O-N 2.98Å; V28-L31 WeakPolarHBondContact O-CB 3.23Å; V28-L31 PolarHBondContact O-N 3.19Å; S29-L31 VanDerWaalsContact C-N 3.26Å; S29-L31 PolarHBondContact O-N 2.95Å; L31-A34 WeakPolarHBondContact O-CB 3.45Å; L31-A34 PolarHBondContact O-N 3.38Å; L31-L39 HydrophobicContact CB-CD2 4.16Å; L31-L39 HydrophobicContact CD1-CB 3.55Å; L31-L39 HydrophobicContact CD1-CD2 3.9Å; L31-L39 HydrophobicContact CD1-CG 4.33Å; L31-I69 HydrophobicContact CD2-CG2 3.86Å; L31-I77 HydrophobicContact CD1-CD1 4.24Å; L31-W79 HydrophobicContact CD1-CB 3.88Å; L31-W79 HydrophobicContact CD2-CB 4.22Å; L31-W79 HydrophobicContact CD2-CD2 3.82Å; L31-W79 HydrophobicContact CD2-CE3 3.16Å; L31-W79 HydrophobicContact CD2-CG 4.28Å; L31-W79 HydrophobicContact CD2-CZ3 3.64Å; L31-W79 HydrophobicContact CG-CB 3.84Å; L31-W79 HydrophobicContact CG-CD2 4.1Å; L31-W79 HydrophobicContact CG-CE3 3.95Å; L31-W79 HydrophobicContact CG-CG 4.11Å; L31-Q82 PolarHBondContact O-OE1 2.94Å; L31-Q82 VanDerWaalsContact O-OE1 3.11Å
32Q84.6Confident86.4Confident110 Ų11062.3 Ų62.351%0.51431%0.314SS..Hα-helixtrans-71.6-35.8175.6-72.9175.2-1600112.6V28 S29 A34 Q82V28-Q32 HydrophobicContact CG1-CG 4.36Å; V28-Q32 WeakPolarHBondContact O-CG 3.45Å; V28-Q32 PolarHBondContact O-N 3.01Å; S29-Q32 PolarHBondContact O-N 3.14Å; Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-Q82 PolarHBondContact O-NE2 3.38Å
33E83.9Confident86.2Confident152 Ų15265.8 Ų65.871%0.7133%0.331SS*.Hα-helixtrans-74.5-19.5175.8-71.2170.6-165.900112.7S29 K35S29-E33 WeakPolarHBondContact O-CG 3.32Å; S29-E33 PolarHBondContact O-N 3.2Å; E33-K35 PolarHBondContact O-N 3.4Å
34A83.9Confident86.1Confident15 Ų1565.1 Ų65.112%0.12433%0.327CS..SBendtrans-64.9126.4-179.100000111.6L30 L31 Q32 D36 G37 V38 L39L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 2.82Å; L31-A34 WeakPolarHBondContact O-CB 3.45Å; L31-A34 PolarHBondContact O-N 3.38Å; Q32-A34 VanDerWaalsContact C-N 3.28Å; A34-D36 PolarHBondContact O-N 3.45Å; A34-G37 PolarHBondContact O-N 3.18Å; A34-V38 WeakPolarHBondContact CB-O 3.47Å; A34-L39 HydrophobicContact CB-CB 4.36Å; A34-L39 HydrophobicContact CB-CD1 4.18Å
35K74.1Confident85.8Confident176 Ų17663.6 Ų63.677%0.76532%0.319SS*.G310 helixtrans-61.7136.4175.4-163-178.7177.2-1750109.8E33 G37 V38E33-K35 PolarHBondContact O-N 3.4Å; K35-G37 PolarHBondContact O-N 3.44Å; K35-G37 VanDerWaalsContact O-N 3.1Å; K35-V38 PolarHBondContact O-N 3.5Å
36D74.6Confident85.5Confident111 Ų11163 Ų6359%0.59432%0.319SS*.G310 helixtrans60.415.6-178.3-50.5-44.4000114.5A34 V38A34-D36 PolarHBondContact O-N 3.45Å; D36-V38 HydrophobicContact CB-CG2 4.48Å; D36-V38 PolarHBondContact O-N 3.46Å
37G81.2Confident85.2Confident1 Ų161.6 Ų61.61%0.0132%0.322CS..G310 helixtrans66.318.5-177.600000113.5A34 K35 Q78 W79A34-G37 PolarHBondContact O-N 3.18Å; K35-G37 PolarHBondContact O-N 3.44Å; K35-G37 VanDerWaalsContact O-N 3.1Å; G37-Q78 CarbonylContact O-C 3.52Å; G37-Q78 WeakPolarHBondContact O-CA 3.42Å; G37-W79 PolarHBondContact O-N 2.83Å
38V86.6Confident84.6Confident61 Ų6162 Ų6237%0.3732%0.324SS..EExtended strand (participates in β ladder)trans-104.1116.7-178.3-178.90000110.2A34 K35 D36 I76 Q78A34-V38 WeakPolarHBondContact CB-O 3.47Å; K35-V38 PolarHBondContact O-N 3.5Å; D36-V38 HydrophobicContact CB-CG2 4.48Å; D36-V38 PolarHBondContact O-N 3.46Å; V38-I76 HydrophobicContact CG1-CG2 3.31Å; V38-Q78 HydrophobicContact CG2-CG 4.4Å
39L88.9Confident83.6Confident14 Ų1464.4 Ų64.47%0.07335%0.347CS..EExtended strand (participates in β ladder)trans-114.6129.5-177.9-173.471.3000111.7F27 L30 L31 A34 A44 I77F27-L39 HydrophobicContact CE1-CD2 4.24Å; F27-L39 HydrophobicContact CE2-CD2 4.23Å; F27-L39 HydrophobicContact CZ-CD2 3.97Å; L30-L39 HydrophobicContact CB-CD1 4.19Å; L30-L39 HydrophobicContact CB-CD2 4.47Å; L31-L39 HydrophobicContact CB-CD2 4.16Å; L31-L39 HydrophobicContact CD1-CB 3.55Å; L31-L39 HydrophobicContact CD1-CD2 3.9Å; L31-L39 HydrophobicContact CD1-CG 4.33Å; A34-L39 HydrophobicContact CB-CB 4.36Å; A34-L39 HydrophobicContact CB-CD1 4.18Å; L39-A44 HydrophobicContact CD2-CB 3.96Å; L39-A44 HydrophobicContact CG-CB 4.25Å; L39-I77 HydrophobicContact CB-CG1 4.09Å; L39-I77 HydrophobicContact CD2-CD1 4.47Å; L39-I77 PolarHBondContact N-O 2.92Å; L39-I77 PolarHBondContact O-N 3.05Å
40D89.8Confident82.3Confident49 Ų4963.2 Ų63.226%0.26234%0.338SS..EExtended strand (participates in β ladder)trans-81.9119169.5-169-37.3000110.3K42 M43 A44 N75D40-K42 PolarHBondContact O-N 3.36Å; D40-K42 VanDerWaalsContact OD1-CB 3.28Å; D40-K42 WeakPolarHBondContact OD1-CB 3.4Å; D40-K42 PolarHBondContact OD1-N 3.4Å; D40-M43 HydrophobicContact CB-CB 4.36Å; D40-M43 HydrophobicContact CB-CE 4.18Å; D40-M43 HydrophobicContact CB-CG 4.26Å; D40-M43 PolarHBondContact O-N 2.93Å; D40-A44 PolarHBondContact O-N 3.46Å; D40-N75 CarbonylContact C-O 3.58Å; D40-N75 WeakPolarHBondContact CA-O 3.47Å
41L88.5Confident80.9Confident24 Ų2471.6 Ų71.613%0.12637%0.373CS..Hα-helixtrans-62.3-27-179.8-65.1179.1000113.2F27 A45 I56 T60 N75 I77F27-L41 HydrophobicContact CE2-CD2 4.19Å; F27-L41 HydrophobicContact CZ-CD2 4.05Å; L41-A45 VanDerWaalsContact O-CB 3.23Å; L41-A45 WeakPolarHBondContact O-CB 3.48Å; L41-A45 PolarHBondContact O-N 3.01Å; L41-I56 HydrophobicContact CD2-CG2 4.04Å; L41-T60 HydrophobicContact CD2-CG2 3.99Å; L41-N75 PolarHBondContact N-O 3.24Å; L41-I77 HydrophobicContact CD1-CG2 4.07Å; L41-I77 HydrophobicContact CD2-CD1 3.95Å; L41-I77 HydrophobicContact CD2-CG1 3.97Å; L41-I77 HydrophobicContact CD2-CG2 4.02Å; L41-I77 HydrophobicContact CG-CG2 4.18Å
42K85.9Confident79.7Confident109 Ų10977.5 Ų77.547%0.47440%0.4SS..Hα-helixtrans-69.2-50.2174.7-66.1-178.6175.4-178.70110.6D40 A44 A45 D46D40-K42 PolarHBondContact O-N 3.36Å; D40-K42 VanDerWaalsContact OD1-CB 3.28Å; D40-K42 WeakPolarHBondContact OD1-CB 3.4Å; D40-K42 PolarHBondContact OD1-N 3.4Å; K42-A44 VanDerWaalsContact C-N 3.29Å; K42-A44 PolarHBondContact O-N 2.9Å; K42-A45 PolarHBondContact O-N 3.11Å; K42-A45 VanDerWaalsContact O-N 3.16Å; K42-D46 PolarHBondContact O-N 3.11Å
43M84.9Confident79.1Confident123 Ų12378.7 Ų78.761%0.60640%0.404SS*.Hα-helixtrans-63.3-38.7178-66.4-153.1-64.200111.7D40 D46 S47D40-M43 HydrophobicContact CB-CB 4.36Å; D40-M43 HydrophobicContact CB-CE 4.18Å; D40-M43 HydrophobicContact CB-CG 4.26Å; D40-M43 PolarHBondContact O-N 2.93Å; M43-D46 PolarHBondContact O-N 2.82Å; M43-S47 WeakPolarHBondContact O-CB 3.33Å; M43-S47 PolarHBondContact O-N 3.49Å; M43-S47 PolarHBondContact O-OG 3.18Å
44A86.7Confident79.2Confident1 Ų177.2 Ų77.21%0.00839%0.392CS..Hα-helixtrans-62.2-46.5173.600000111.3F27 L30 L39 D40 K42 D46 S47 L48F27-A44 HydrophobicContact CD2-CB 4.43Å; F27-A44 HydrophobicContact CE2-CB 4.17Å; L30-A44 HydrophobicContact CD1-CB 4.38Å; L39-A44 HydrophobicContact CD2-CB 3.96Å; L39-A44 HydrophobicContact CG-CB 4.25Å; D40-A44 PolarHBondContact O-N 3.46Å; K42-A44 VanDerWaalsContact C-N 3.29Å; K42-A44 PolarHBondContact O-N 2.9Å; A44-D46 VanDerWaalsContact C-N 3.31Å; A44-D46 PolarHBondContact O-N 3.19Å; A44-S47 PolarHBondContact O-N 3.07Å; A44-L48 HydrophobicContact CB-CD1 4.33Å; A44-L48 VanDerWaalsContact O-CB 3.31Å; A44-L48 WeakPolarHBondContact O-CB 3.33Å; A44-L48 VanDerWaalsContact O-CD1 3.25Å; A44-L48 WeakPolarHBondContact O-CD1 3.39Å; A44-L48 WeakPolarHBondContact O-CG 3.26Å; A44-L48 PolarHBondContact O-N 3.3Å
45A84.5Confident79.3Confident11 Ų1180.3 Ų80.39%0.09140%0.4CS..Hα-helixtrans-60.2-39.6178.900000112.9L41 K42 A49 I56L41-A45 VanDerWaalsContact O-CB 3.23Å; L41-A45 WeakPolarHBondContact O-CB 3.48Å; L41-A45 PolarHBondContact O-N 3.01Å; K42-A45 PolarHBondContact O-N 3.11Å; K42-A45 VanDerWaalsContact O-N 3.16Å; A45-A49 PolarHBondContact O-N 3.11Å; A45-I56 HydrophobicContact CB-CD1 4.49Å; A45-I56 HydrophobicContact CB-CG1 4.28Å
46D83.7Confident79.9Confident130 Ų13072.4 Ų72.470%0.69537%0.366SS*.Hα-helixtrans-67.1-44.5176.7-64.6-23.1000110.9K42 M43 A44 L48 A49K42-D46 PolarHBondContact O-N 3.11Å; M43-D46 PolarHBondContact O-N 2.82Å; A44-D46 VanDerWaalsContact C-N 3.31Å; A44-D46 PolarHBondContact O-N 3.19Å; D46-L48 PolarHBondContact O-N 2.91Å; D46-A49 PolarHBondContact O-N 3.33Å; D46-A49 VanDerWaalsContact O-N 3.13Å
47S82Confident80.7Confident76 Ų7673 Ų7353%0.53136%0.361SS..Hα-helixtrans-67.3-34.2179-58.30000113.3M43 A44 A49M43-S47 WeakPolarHBondContact O-CB 3.33Å; M43-S47 PolarHBondContact O-N 3.49Å; M43-S47 PolarHBondContact O-OG 3.18Å; A44-S47 PolarHBondContact O-N 3.07Å; S47-A49 PolarHBondContact O-N 3.38Å
48L77.6Confident81.1Confident9 Ų974.4 Ų74.45%0.04737%0.368CS..THydrogen-bonded Turntrans-76.1-2.8176.4-76.6149.7000112.6L23 K26 F27 L30 A44 D46 V50 I56L23-L48 HydrophobicContact CB-CD2 4.31Å; L23-L48 HydrophobicContact CD2-CD2 3.98Å; L23-L48 VanDerWaalsContact O-CD2 3.26Å; L23-L48 WeakPolarHBondContact O-CD2 3.37Å; K26-L48 HydrophobicContact CB-CD2 3.5Å; K26-L48 HydrophobicContact CD-CD2 4.42Å; F27-L48 HydrophobicContact CB-CD1 4.02Å; F27-L48 HydrophobicContact CB-CD2 4.41Å; F27-L48 HydrophobicContact CD2-CD1 3.57Å; F27-L48 HydrophobicContact CG-CD1 4.28Å; L30-L48 HydrophobicContact CD1-CD1 4.33Å; L30-L48 HydrophobicContact CD1-CG 4.25Å; A44-L48 HydrophobicContact CB-CD1 4.33Å; A44-L48 VanDerWaalsContact O-CB 3.31Å; A44-L48 WeakPolarHBondContact O-CB 3.33Å; A44-L48 VanDerWaalsContact O-CD1 3.25Å; A44-L48 WeakPolarHBondContact O-CD1 3.39Å; A44-L48 WeakPolarHBondContact O-CG 3.26Å; A44-L48 PolarHBondContact O-N 3.3Å; D46-L48 PolarHBondContact O-N 2.91Å; L48-V50 HydrophobicContact CB-CG2 3.38Å; L48-V50 WeakPolarHBondContact O-CG2 3.05Å; L48-V50 PolarHBondContact O-N 3Å; L48-I56 HydrophobicContact CD1-CD1 3.68Å
49A67.9Low81.4Confident84 Ų8471.8 Ų71.869%0.69435%0.352SS*.THydrogen-bonded Turntrans48.730.7-179.100000113.2A45 D46 S47 K51A45-A49 PolarHBondContact O-N 3.11Å; D46-A49 PolarHBondContact O-N 3.33Å; D46-A49 VanDerWaalsContact O-N 3.13Å; S47-A49 PolarHBondContact O-N 3.38Å; A49-K51 PolarHBondContact O-N 3.37Å; A49-K51 VanDerWaalsContact O-N 3.14Å
50V63.3Low81.5Confident31 Ų3171.6 Ų71.619%0.18835%0.352CS..  trans-81.2104.3-174.2-157.50000108L23 L48 Q52 R55L23-V50 HydrophobicContact CD1-CG1 4.49Å; L23-V50 HydrophobicContact CD2-CG2 3.98Å; L48-V50 HydrophobicContact CB-CG2 3.38Å; L48-V50 WeakPolarHBondContact O-CG2 3.05Å; L48-V50 PolarHBondContact O-N 3Å; V50-Q52 WeakPolarHBondContact CG1-O 3.37Å; V50-Q52 PolarHBondContact O-N 3.2Å; V50-R55 HydrophobicContact CG1-CB 4.18Å; V50-R55 HydrophobicContact CG1-CG 4.15Å
51K58.6Low81.7Confident215 Ų21573.7 Ų73.794%0.93536%0.363SS*.SBendtrans-56.1-13.9171.1-70.1-173.5176.4-175.40113.4A49A49-K51 PolarHBondContact O-N 3.37Å; A49-K51 VanDerWaalsContact O-N 3.14Å
52Q61.8Low81.9Confident126 Ų12677.1 Ų77.159%0.58939%0.385SS*.  trans-127.5109.1-178.1-72.6167.60.400111.1V50 R54 R55V50-Q52 WeakPolarHBondContact CG1-O 3.37Å; V50-Q52 PolarHBondContact O-N 3.2Å; Q52-R54 PolarHBondContact O-N 3.42Å; Q52-R55 PolarHBondContact O-N 3.43Å
53K73.1Confident82.2Confident135 Ų13572.9 Ų72.959%0.58737%0.367SS*.THydrogen-bonded Turntrans-57.1-7175-68.3-163.1173.3-1710114.8R55 Y57K53-R55 PolarHBondContact O-N 3.29Å; K53-Y57 VanDerWaalsContact O-CD2 3.28Å; K53-Y57 WeakPolarHBondContact O-CD2 3.28Å; K53-Y57 VanDerWaalsContact O-CE2 3.28Å; K53-Y57 WeakPolarHBondContact O-CE2 3.28Å
54R84.9Confident82.5Confident121 Ų12171.7 Ų71.746%0.45736%0.36SS..Hα-helixtrans-63-36.6179.8-177.863.2-169.477.77.4113.5Q52 Y57 D58Q52-R54 PolarHBondContact O-N 3.42Å; R54-Y57 PolarHBondContact O-N 3.48Å; R54-D58 IonicContact CZ-OD1 3.14Å; R54-D58 IonicContact CZ-OD2 3.07Å; R54-D58 IonicContact NH1-OD1 2.74Å; R54-D58 PolarHBondContact NH1-OD1 3.23Å; R54-D58 IonicContact NH1-OD2 3.94Å; R54-D58 PolarHBondContact NH1-OD2 3.13Å; R54-D58 VanDerWaalsContact NH1-OD2 3.07Å; R54-D58 IonicContact NH2-OD1 2.73Å; R54-D58 PolarHBondContact NH2-OD1 3.19Å; R54-D58 IonicContact NH2-OD2 3.46Å; R54-D58 PolarHBondContact O-N 3.49Å
55R86.6Confident82.7Confident80 Ų8075 Ų7530%0.30239%0.394SS..Hα-helixtrans-73.7-27.4-173.3-60-70.380.4114.7-7.4113.6L20 L23 V50 Q52 K53 Y57 D58 I59L20-R55 HydrophobicContact CD1-CB 4.35Å; L23-R55 HydrophobicContact CD1-CB 3.77Å; L23-R55 HydrophobicContact CD1-CG 3.82Å; V50-R55 HydrophobicContact CG1-CB 4.18Å; V50-R55 HydrophobicContact CG1-CG 4.15Å; Q52-R55 PolarHBondContact O-N 3.43Å; K53-R55 PolarHBondContact O-N 3.29Å; R55-Y57 VanDerWaalsContact C-N 3.29Å; R55-Y57 PolarHBondContact O-N 2.86Å; R55-D58 IonicContact CZ-OD2 2.73Å; R55-D58 IonicContact NE-OD2 3.88Å; R55-D58 PolarHBondContact NE-OD2 3.42Å; R55-D58 IonicContact NH2-OD2 3.64Å; R55-D58 PolarHBondContact NH2-OD2 2.89Å; R55-D58 PolarHBondContact O-N 2.81Å; R55-I59 WeakPolarHBondContact O-CG1 3.45Å; R55-I59 PolarHBondContact O-N 2.86Å; R55-I59 VanDerWaalsContact O-N 3.17Å
56I88Confident82.9Confident10 Ų1079.2 Ų79.25%0.05142%0.419CS..Hα-helixtrans-59.7-44.7174.4-60.5-62.8000109.9F27 L41 A45 L48 D58 I59 T60F27-I56 HydrophobicContact CD2-CD1 4.12Å; F27-I56 HydrophobicContact CE2-CD1 4.19Å; F27-I56 HydrophobicContact CE2-CG2 4.37Å; L41-I56 HydrophobicContact CD2-CG2 4.04Å; A45-I56 HydrophobicContact CB-CD1 4.49Å; A45-I56 HydrophobicContact CB-CG1 4.28Å; L48-I56 HydrophobicContact CD1-CD1 3.68Å; I56-D58 VanDerWaalsContact C-N 3.34Å; I56-D58 PolarHBondContact O-N 2.89Å; I56-I59 PolarHBondContact O-N 3.23Å; I56-T60 HydrophobicContact CG2-CG2 4.07Å; I56-T60 WeakPolarHBondContact O-CG2 3.4Å; I56-T60 PolarHBondContact O-N 2.88Å; I56-T60 PolarHBondContact O-OG1 3.45Å
57Y90Very high83.2Confident122 Ų12274.6 Ų74.648%0.47840%0.402SS..Hα-helixtrans-65.7-35178.3-53.2-59.5000113.3K53 R54 R55 I59 T60 N61K53-Y57 VanDerWaalsContact O-CD2 3.28Å; K53-Y57 WeakPolarHBondContact O-CD2 3.28Å; K53-Y57 VanDerWaalsContact O-CE2 3.28Å; K53-Y57 WeakPolarHBondContact O-CE2 3.28Å; R54-Y57 PolarHBondContact O-N 3.48Å; R55-Y57 VanDerWaalsContact C-N 3.29Å; R55-Y57 PolarHBondContact O-N 2.86Å; Y57-I59 VanDerWaalsContact C-N 3.3Å; Y57-I59 PolarHBondContact O-N 3.46Å; Y57-T60 WeakPolarHBondContact CA-OG1 3.34Å; Y57-T60 PolarHBondContact O-OG1 2.91Å; Y57-N61 WeakPolarHBondContact O-CB 3.44Å; Y57-N61 PolarHBondContact O-N 3.32Å; Y57-N61 PolarHBondContact O-ND2 3.1Å; Y57-N61 PolarHBondContact O-OD1 3.32Å
58D90.9Very high83.5Confident32 Ų3274.3 Ų74.317%0.17139%0.394CS..Hα-helixtrans-60.4-44.7174.3-68-44.1000110.8L20 R54 R55 I56 V62L20-D58 HydrophobicContact CD1-CB 3.97Å; L20-D58 HydrophobicContact CD2-CB 4.28Å; R54-D58 IonicContact CZ-OD1 3.14Å; R54-D58 IonicContact CZ-OD2 3.07Å; R54-D58 IonicContact NH1-OD1 2.74Å; R54-D58 PolarHBondContact NH1-OD1 3.23Å; R54-D58 IonicContact NH1-OD2 3.94Å; R54-D58 PolarHBondContact NH1-OD2 3.13Å; R54-D58 VanDerWaalsContact NH1-OD2 3.07Å; R54-D58 IonicContact NH2-OD1 2.73Å; R54-D58 PolarHBondContact NH2-OD1 3.19Å; R54-D58 IonicContact NH2-OD2 3.46Å; R54-D58 PolarHBondContact O-N 3.49Å; R55-D58 IonicContact CZ-OD2 2.73Å; R55-D58 IonicContact NE-OD2 3.88Å; R55-D58 PolarHBondContact NE-OD2 3.42Å; R55-D58 IonicContact NH2-OD2 3.64Å; R55-D58 PolarHBondContact NH2-OD2 2.89Å; R55-D58 PolarHBondContact O-N 2.81Å; I56-D58 VanDerWaalsContact C-N 3.34Å; I56-D58 PolarHBondContact O-N 2.89Å; D58-V62 VanDerWaalsContact O-CG2 3.29Å; D58-V62 WeakPolarHBondContact O-CG2 3.17Å; D58-V62 PolarHBondContact O-N 3.41Å
59I91.6Very high84.1Confident5 Ų574.2 Ų74.23%0.02639%0.393CS..Hα-helixtrans-68.6-50.7179.9-62.8167000110.2L20 L23 T24 F27 R55 I56 Y57 N61 V62 L63L20-I59 HydrophobicContact CD1-CD1 4.32Å; L20-I59 HydrophobicContact CD1-CG1 3.91Å; L23-I59 HydrophobicContact CB-CD1 3.97Å; T24-I59 HydrophobicContact CG2-CG2 4.42Å; F27-I59 HydrophobicContact CB-CD1 4.31Å; F27-I59 HydrophobicContact CB-CG2 4.37Å; F27-I59 HydrophobicContact CD1-CG2 3.79Å; F27-I59 HydrophobicContact CD2-CG2 4.48Å; F27-I59 HydrophobicContact CE1-CG2 4.17Å; F27-I59 HydrophobicContact CG-CG2 3.97Å; R55-I59 WeakPolarHBondContact O-CG1 3.45Å; R55-I59 PolarHBondContact O-N 2.86Å; R55-I59 VanDerWaalsContact O-N 3.17Å; I56-I59 PolarHBondContact O-N 3.23Å; Y57-I59 VanDerWaalsContact C-N 3.3Å; Y57-I59 PolarHBondContact O-N 3.46Å; I59-N61 PolarHBondContact O-N 3.39Å; I59-V62 PolarHBondContact O-N 3.47Å; I59-L63 HydrophobicContact CG2-CD1 3.74Å; I59-L63 HydrophobicContact CG2-CG 4.28Å; I59-L63 WeakPolarHBondContact O-CG 3.43Å; I59-L63 PolarHBondContact O-N 2.79Å
60T91.8Very high85.1Confident11 Ų1172.8 Ų72.87%0.06737%0.372CS..Hα-helixtrans-64.7-41-176.758.80000111.8F27 L41 I56 Y57 V62 L63 E64 I69F27-T60 HydrophobicContact CZ-CG2 4.02Å; L41-T60 HydrophobicContact CD2-CG2 3.99Å; I56-T60 HydrophobicContact CG2-CG2 4.07Å; I56-T60 WeakPolarHBondContact O-CG2 3.4Å; I56-T60 PolarHBondContact O-N 2.88Å; I56-T60 PolarHBondContact O-OG1 3.45Å; Y57-T60 WeakPolarHBondContact CA-OG1 3.34Å; Y57-T60 PolarHBondContact O-OG1 2.91Å; T60-V62 VanDerWaalsContact C-N 3.31Å; T60-V62 PolarHBondContact O-N 3.39Å; T60-L63 PolarHBondContact O-N 2.78Å; T60-E64 WeakPolarHBondContact O-CB 3.37Å; T60-E64 PolarHBondContact O-N 2.83Å; T60-I69 HydrophobicContact CG2-CD1 4.2Å
61N93.4Very high86.4Confident92 Ų9277.6 Ų77.649%0.49239%0.39SS..Hα-helixtrans-64.7-37.2-179.7-68.1-0.4000111.9Y57 I59 G65Y57-N61 WeakPolarHBondContact O-CB 3.44Å; Y57-N61 PolarHBondContact O-N 3.32Å; Y57-N61 PolarHBondContact O-ND2 3.1Å; Y57-N61 PolarHBondContact O-OD1 3.32Å; I59-N61 PolarHBondContact O-N 3.39Å; N61-G65 PolarHBondContact O-N 3.34Å
62V93.4Very high87.8Confident97 Ų9773 Ų7359%0.58837%0.371SS*.Hα-helixtrans-69.8-48.1175.7174.40000110.2D58 I59 T60 E64 G65 V66D58-V62 VanDerWaalsContact O-CG2 3.29Å; D58-V62 WeakPolarHBondContact O-CG2 3.17Å; D58-V62 PolarHBondContact O-N 3.41Å; I59-V62 PolarHBondContact O-N 3.47Å; T60-V62 VanDerWaalsContact C-N 3.31Å; T60-V62 PolarHBondContact O-N 3.39Å; V62-E64 VanDerWaalsContact C-N 3.3Å; V62-E64 PolarHBondContact O-N 2.96Å; V62-G65 PolarHBondContact O-N 3.2Å; V62-V66 HydrophobicContact CG1-CG2 4.49Å; V62-V66 VanDerWaalsContact O-CG2 3.28Å; V62-V66 WeakPolarHBondContact O-CG2 3.34Å; V62-V66 PolarHBondContact O-N 3.38Å
63L91.5Very high89Confident19 Ų1971.8 Ų71.810%0.09937%0.368CS..Hα-helixtrans-64.3-34.9179.6-67.5179000112.6F27 I59 T60 G67 L68 I69F27-L63 HydrophobicContact CD1-CD1 4.2Å; F27-L63 HydrophobicContact CE1-CD1 4.08Å; I59-L63 HydrophobicContact CG2-CD1 3.74Å; I59-L63 HydrophobicContact CG2-CG 4.28Å; I59-L63 WeakPolarHBondContact O-CG 3.43Å; I59-L63 PolarHBondContact O-N 2.79Å; T60-L63 PolarHBondContact O-N 2.78Å; L63-G67 PolarHBondContact O-N 3.2Å; L63-G67 VanDerWaalsContact O-N 3.1Å; L63-L68 HydrophobicContact CD2-CD1 3.95Å; L63-L68 PolarHBondContact O-N 3.17Å; L63-I69 HydrophobicContact CB-CD1 3.7Å; L63-I69 HydrophobicContact CB-CG1 3.68Å; L63-I69 HydrophobicContact CB-CG2 4.25Å; L63-I69 HydrophobicContact CD1-CG2 4.43Å; L63-I69 PolarHBondContact O-N 2.64Å
64E91.3Very high89.6Confident98 Ų9873.5 Ų73.546%0.45838%0.375SS..Hα-helixtrans-70.6-43.1173.8-177.8175.8-175.100110.7T60 V62 V66 G67 I69T60-E64 WeakPolarHBondContact O-CB 3.37Å; T60-E64 PolarHBondContact O-N 2.83Å; V62-E64 VanDerWaalsContact C-N 3.3Å; V62-E64 PolarHBondContact O-N 2.96Å; E64-V66 VanDerWaalsContact C-N 3.28Å; E64-V66 PolarHBondContact O-N 3.47Å; E64-G67 WeakPolarHBondContact O-CA 3.24Å; E64-G67 PolarHBondContact O-N 3.42Å; E64-I69 HydrophobicContact CB-CD1 4.46Å; E64-I69 HydrophobicContact CB-CG1 4.11Å
65G90.4Very high89.7Confident70 Ų7070.1 Ų70.172%0.72237%0.366SS*.Hα-helixtrans-63-32.217600000113.6N61 V62 G67N61-G65 PolarHBondContact O-N 3.34Å; V62-G65 PolarHBondContact O-N 3.2Å; G65-G67 VanDerWaalsContact C-N 3.33Å
66V90.2Very high89.9Confident101 Ų10168.9 Ų68.961%0.61237%0.365SS*.Hα-helixtrans-79.4-18.8171.5-178.80000111.6V62 E64 L68V62-V66 HydrophobicContact CG1-CG2 4.49Å; V62-V66 VanDerWaalsContact O-CG2 3.28Å; V62-V66 WeakPolarHBondContact O-CG2 3.34Å; V62-V66 PolarHBondContact O-N 3.38Å; E64-V66 VanDerWaalsContact C-N 3.28Å; E64-V66 PolarHBondContact O-N 3.47Å; V66-L68 HydrophobicContact CB-CG 4.35Å; V66-L68 HydrophobicContact CG1-CD1 4.1Å; V66-L68 HydrophobicContact CG1-CG 3.89Å
67G88.8Confident90Very high33 Ų3368.6 Ų68.634%0.3436%0.364SS..THydrogen-bonded Turntrans82.320-17900000114.7L63 E64 G65 R80L63-G67 PolarHBondContact O-N 3.2Å; L63-G67 VanDerWaalsContact O-N 3.1Å; E64-G67 WeakPolarHBondContact O-CA 3.24Å; E64-G67 PolarHBondContact O-N 3.42Å; G65-G67 VanDerWaalsContact C-N 3.33Å; G67-R80 WeakPolarHBondContact O-CD 3.25Å
68L88.8Confident90Very high70 Ų7064.8 Ų64.837%0.36635%0.35SS..SBendtrans-81.4-25.8176.5-64.3177.1000112.8L63 V66 W79 R80L63-L68 HydrophobicContact CD2-CD1 3.95Å; L63-L68 PolarHBondContact O-N 3.17Å; V66-L68 HydrophobicContact CB-CG 4.35Å; V66-L68 HydrophobicContact CG1-CD1 4.1Å; V66-L68 HydrophobicContact CG1-CG 3.89Å; L68-W79 HydrophobicContact CB-CE3 4.24Å; L68-W79 HydrophobicContact CB-CH2 4.13Å; L68-W79 HydrophobicContact CB-CZ3 3.72Å; L68-W79 HydrophobicContact CD1-CH2 4.17Å; L68-W79 HydrophobicContact CD1-CZ3 4.4Å; L68-R80 PolarHBondContact O-N 3.5Å
69I89.9Confident90Very high6 Ų664.9 Ų64.93%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-124156.2175.162.8172.8000110.9L31 T60 L63 E64 I77 Q78 W79L31-I69 HydrophobicContact CD2-CG2 3.86Å; T60-I69 HydrophobicContact CG2-CD1 4.2Å; L63-I69 HydrophobicContact CB-CD1 3.7Å; L63-I69 HydrophobicContact CB-CG1 3.68Å; L63-I69 HydrophobicContact CB-CG2 4.25Å; L63-I69 HydrophobicContact CD1-CG2 4.43Å; L63-I69 PolarHBondContact O-N 2.64Å; E64-I69 HydrophobicContact CB-CD1 4.46Å; E64-I69 HydrophobicContact CB-CG1 4.11Å; I69-I77 HydrophobicContact CD1-CD1 3.99Å; I69-I77 HydrophobicContact CG2-CD1 4.31Å; I69-Q78 CarbonylContact C-O 3.55Å; I69-Q78 VanDerWaalsContact CA-O 3.25Å; I69-Q78 WeakPolarHBondContact CA-O 3.41Å; I69-W79 HydrophobicContact CG2-CE3 3.57Å; I69-W79 HydrophobicContact CG2-CZ3 4.11Å
70E89.7Confident89.5Confident55 Ų5571.5 Ų71.526%0.25737%0.373SS..EExtended strand (participates in β ladder)trans-127151.5167.463.4-178.1-159.100111.4I77 Q78 R80E70-I77 CarbonylContact O-C 3.53Å; E70-I77 WeakPolarHBondContact O-CA 3.5Å; E70-Q78 HydrophobicContact CG-CB 3.83Å; E70-Q78 HydrophobicContact CG-CG 4.49Å; E70-Q78 PolarHBondContact N-O 3.41Å; E70-Q78 PolarHBondContact O-N 3.07Å; E70-Q78 PolarHBondContact OE1-OE1 3.28Å; E70-R80 HydrophobicContact CB-CG 4.49Å; E70-R80 HydrophobicContact CG-CG 4.26Å; E70-R80 IonicContact OE2-CZ 3.27Å; E70-R80 VanDerWaalsContact OE2-CZ 3.27Å; E70-R80 IonicContact OE2-NE 2.88Å; E70-R80 PolarHBondContact OE2-NE 3.19Å; E70-R80 IonicContact OE2-NH2 2.79Å; E70-R80 PolarHBondContact OE2-NH2 2.91Å
71K90.1Very high88.4Confident131 Ų13173.1 Ų73.157%0.5739%0.392SS*.EExtended strand (participates in β ladder)trans-89.8112.8178.4-168.9176.5-176.2178.20109.7N73K71-N73 WeakPolarHBondContact CG-O 3.32Å
72K87Confident86.8Confident119 Ų11971 Ų7152%0.51738%0.379SS..EExtended strand (participates in β ladder)trans-77.2-57.5169.5-82-82.3-178.1175.90110.1I76 Q78K72-I76 HydrophobicContact CB-CB 4.32Å; K72-I76 HydrophobicContact CB-CG2 4.02Å; K72-I76 PolarHBondContact N-O 2.73Å; K72-Q78 HydrophobicContact CG-CB 4.15Å
73N88.7Confident84.9Confident101 Ų10173 Ų7354%0.5439%0.387SS..EExtended strand (participates in β ladder)trans-137.4173.5-177.3-6536.9000110.2K71 N75 I76K71-N73 WeakPolarHBondContact CG-O 3.32Å; N73-N75 PolarHBondContact O-N 3.37Å; N73-I76 HydrophobicContact CB-CB 4.17Å; N73-I76 HydrophobicContact CB-CG1 4.48Å; N73-I76 PolarHBondContact N-O 2.74Å; N73-I76 PolarHBondContact O-N 2.73Å; N73-I76 VanDerWaalsContact O-N 3.11Å
74K84.9Confident82.9Confident170 Ų17078.7 Ų78.774%0.73942%0.417SS*.THydrogen-bonded Turntrans-54.2-27.1179.768.8178.5178-174.10115
75N87.6Confident81Confident50 Ų5076.1 Ų76.127%0.26742%0.416SS..THydrogen-bonded Turntrans-118.42.8179.1-56.6-47.3000113.1D40 L41 N73D40-N75 CarbonylContact C-O 3.58Å; D40-N75 WeakPolarHBondContact CA-O 3.47Å; L41-N75 PolarHBondContact N-O 3.24Å; N73-N75 PolarHBondContact O-N 3.37Å
76I89.3Confident79.5Confident54 Ų5477.7 Ų77.728%0.27742%0.416SS..EExtended strand (participates in β ladder)trans-126.8125.4-173.6-59.5-171.9000108.9V38 K72 N73V38-I76 HydrophobicContact CG1-CG2 3.31Å; K72-I76 HydrophobicContact CB-CB 4.32Å; K72-I76 HydrophobicContact CB-CG2 4.02Å; K72-I76 PolarHBondContact N-O 2.73Å; N73-I76 HydrophobicContact CB-CB 4.17Å; N73-I76 HydrophobicContact CB-CG1 4.48Å; N73-I76 PolarHBondContact N-O 2.74Å; N73-I76 PolarHBondContact O-N 2.73Å; N73-I76 VanDerWaalsContact O-N 3.11Å
77I90.9Very high78.2Confident5 Ų575.8 Ų75.83%0.02641%0.406CS..EExtended strand (participates in β ladder)trans-116152.3172.161.4163.2000109.7F27 L31 L39 L41 I69 E70F27-I77 HydrophobicContact CE1-CD1 3.83Å; F27-I77 HydrophobicContact CZ-CD1 3.52Å; L31-I77 HydrophobicContact CD1-CD1 4.24Å; L39-I77 HydrophobicContact CB-CG1 4.09Å; L39-I77 HydrophobicContact CD2-CD1 4.47Å; L39-I77 PolarHBondContact N-O 2.92Å; L39-I77 PolarHBondContact O-N 3.05Å; L41-I77 HydrophobicContact CD1-CG2 4.07Å; L41-I77 HydrophobicContact CD2-CD1 3.95Å; L41-I77 HydrophobicContact CD2-CG1 3.97Å; L41-I77 HydrophobicContact CD2-CG2 4.02Å; L41-I77 HydrophobicContact CG-CG2 4.18Å; I69-I77 HydrophobicContact CD1-CD1 3.99Å; I69-I77 HydrophobicContact CG2-CD1 4.31Å; E70-I77 CarbonylContact O-C 3.53Å; E70-I77 WeakPolarHBondContact O-CA 3.5Å
78Q89.8Confident77.3Confident41 Ų4177.5 Ų77.519%0.19241%0.413CS..EExtended strand (participates in β ladder)trans-118.8132.1175.4-178.71705.300109.7G37 V38 I69 E70 K72G37-Q78 CarbonylContact O-C 3.52Å; G37-Q78 WeakPolarHBondContact O-CA 3.42Å; V38-Q78 HydrophobicContact CG2-CG 4.4Å; I69-Q78 CarbonylContact C-O 3.55Å; I69-Q78 VanDerWaalsContact CA-O 3.25Å; I69-Q78 WeakPolarHBondContact CA-O 3.41Å; E70-Q78 HydrophobicContact CG-CB 3.83Å; E70-Q78 HydrophobicContact CG-CG 4.49Å; E70-Q78 PolarHBondContact N-O 3.41Å; E70-Q78 PolarHBondContact O-N 3.07Å; E70-Q78 PolarHBondContact OE1-OE1 3.28Å; K72-Q78 HydrophobicContact CG-CB 4.15Å
79W90.2Very high76.7Confident35 Ų3582.4 Ų82.413%0.13343%0.434CS..EExtended strand (participates in β ladder)trans-79.3117173.4-177.7-117.5000109.6L31 G37 L68 I69 G81 Q82L31-W79 HydrophobicContact CD1-CB 3.88Å; L31-W79 HydrophobicContact CD2-CB 4.22Å; L31-W79 HydrophobicContact CD2-CD2 3.82Å; L31-W79 HydrophobicContact CD2-CE3 3.16Å; L31-W79 HydrophobicContact CD2-CG 4.28Å; L31-W79 HydrophobicContact CD2-CZ3 3.64Å; L31-W79 HydrophobicContact CG-CB 3.84Å; L31-W79 HydrophobicContact CG-CD2 4.1Å; L31-W79 HydrophobicContact CG-CE3 3.95Å; L31-W79 HydrophobicContact CG-CG 4.11Å; G37-W79 PolarHBondContact O-N 2.83Å; L68-W79 HydrophobicContact CB-CE3 4.24Å; L68-W79 HydrophobicContact CB-CH2 4.13Å; L68-W79 HydrophobicContact CB-CZ3 3.72Å; L68-W79 HydrophobicContact CD1-CH2 4.17Å; L68-W79 HydrophobicContact CD1-CZ3 4.4Å; I69-W79 HydrophobicContact CG2-CE3 3.57Å; I69-W79 HydrophobicContact CG2-CZ3 4.11Å; W79-G81 VanDerWaalsContact CD1-C 3.41Å; W79-G81 VanDerWaalsContact NE1-C 3.32Å; W79-G81 PolarHBondContact O-N 2.99Å; W79-Q82 VanDerWaalsContact CD1-OE1 3.3Å
80R82.3Confident76.2Confident144 Ų14489.4 Ų89.454%0.54347%0.466SS..THydrogen-bonded Turntrans-71.1-23.9178-71-173.8163.4-169.10.2112.4G67 L68 E70 Q82G67-R80 WeakPolarHBondContact O-CD 3.25Å; L68-R80 PolarHBondContact O-N 3.5Å; E70-R80 HydrophobicContact CB-CG 4.49Å; E70-R80 HydrophobicContact CG-CG 4.26Å; E70-R80 IonicContact OE2-CZ 3.27Å; E70-R80 VanDerWaalsContact OE2-CZ 3.27Å; E70-R80 IonicContact OE2-NE 2.88Å; E70-R80 PolarHBondContact OE2-NE 3.19Å; E70-R80 IonicContact OE2-NH2 2.79Å; E70-R80 PolarHBondContact OE2-NH2 2.91Å; R80-Q82 VanDerWaalsContact C-N 3.34Å; R80-Q82 PolarHBondContact O-N 2.9Å
81G68.9Low75.8Confident44 Ų4491.1 Ų91.145%0.45448%0.475SS..THydrogen-bonded Turntrans-79-7.9-179.200000115.3W79W79-G81 VanDerWaalsContact CD1-C 3.41Å; W79-G81 VanDerWaalsContact NE1-C 3.32Å; W79-G81 PolarHBondContact O-N 2.99Å
82Q59.3Low75.5Confident47 Ų4788.4 Ų88.422%0.2247%0.467CS..  trans-108.859.7171.9-85165.3-65.600110.1L31 Q32 W79 R80 N84L31-Q82 PolarHBondContact O-OE1 2.94Å; L31-Q82 VanDerWaalsContact O-OE1 3.11Å; Q32-Q82 PolarHBondContact O-NE2 3.38Å; W79-Q82 VanDerWaalsContact CD1-OE1 3.3Å; R80-Q82 VanDerWaalsContact C-N 3.34Å; R80-Q82 PolarHBondContact O-N 2.9Å; Q82-N84 PolarHBondContact O-N 3.43Å; Q82-N84 VanDerWaalsContact O-N 3.11Å
83N52.7Low75.6Confident141 Ų14187.7 Ų87.775%0.75447%0.465SS*.THydrogen-bonded Turntrans-76.240.7142.3-91.1-7.1000110.8
84N50.6Low75.8Confident138 Ų13888.3 Ų88.374%0.73847%0.465SS*.THydrogen-bonded Turntrans-105.66.1168.9-65.68.6000111Q82 S86Q82-N84 PolarHBondContact O-N 3.43Å; Q82-N84 VanDerWaalsContact O-N 3.11Å; N84-S86 PolarHBondContact O-N 3.08Å; N84-S86 VanDerWaalsContact O-N 3.11Å
85G51.6Low76.1Confident43 Ų4383 Ų8344%0.44344%0.444SS..SBendtrans-59.7113.3150.300000105.3
86S58.5Low76.4Confident103 Ų10388.8 Ų88.872%0.7246%0.462SS*.  trans-29124.4179.151.80000110.3N84 S88N84-S86 PolarHBondContact O-N 3.08Å; N84-S86 VanDerWaalsContact O-N 3.11Å; S86-S88 PolarHBondContact O-N 3.15Å; S86-S88 VanDerWaalsContact O-N 3.12Å
87P62.5Low76.7Confident62 Ų6290.3 Ų90.340%0.40347%0.474SS..  trans-50.3130.8179.8-18.326.7000107.5M91 L92P87-M91 HydrophobicContact CB-CB 4.25Å; P87-M91 HydrophobicContact CB-CG 4.19Å; P87-L92 HydrophobicContact CB-CD2 3.67Å; P87-L92 HydrophobicContact CB-CG 3.88Å; P87-L92 HydrophobicContact CG-CD2 3.83Å; P87-L92 HydrophobicContact CG-CG 4.49Å
88S70.5Confident76.9Confident68 Ų6895.2 Ų95.248%0.47650%0.499SS..  trans-51.3150.3-178.560.90000109.2S86 E90 M91 L92S86-S88 PolarHBondContact O-N 3.15Å; S86-S88 VanDerWaalsContact O-N 3.12Å; S88-E90 PolarHBondContact O-N 3.33Å; S88-E90 VanDerWaalsContact O-N 3.09Å; S88-M91 WeakPolarHBondContact O-CA 3.43Å; S88-M91 WeakPolarHBondContact O-CB 3.11Å; S88-M91 PolarHBondContact O-N 3.42Å; S88-M91 WeakPolarHBondContact OG-CB 3.16Å; S88-M91 PolarHBondContact OG-N 2.82Å; S88-L92 PolarHBondContact O-N 2.9Å
89Q75.8Confident77.2Confident174 Ų174100 Ų10081%0.81352%0.52SS*.Hα-helixtrans-53-35.9179.3-78.8-174.8-67.400111.8L92 E93Q89-L92 PolarHBondContact O-N 2.98Å; Q89-E93 WeakPolarHBondContact O-CB 3.29Å; Q89-E93 PolarHBondContact O-N 3.29Å
90E78.8Confident77.5Confident152 Ų152101.2 Ų101.271%0.7154%0.538SS*.Hα-helixtrans-62.8-44.5173.1-65.5179.4171.300112.7S88 E93 Q94S88-E90 PolarHBondContact O-N 3.33Å; S88-E90 VanDerWaalsContact O-N 3.09Å; E90-E93 PolarHBondContact O-N 3.04Å; E90-Q94 WeakPolarHBondContact O-CG 3.4Å; E90-Q94 PolarHBondContact O-N 2.91Å
91M81.7Confident78.2Confident91 Ų9198.8 Ų98.845%0.44853%0.532SS..Hα-helixtrans-66-39176.9-172.167.5178.500111.6P87 S88 E93 Q94 I95P87-M91 HydrophobicContact CB-CB 4.25Å; P87-M91 HydrophobicContact CB-CG 4.19Å; S88-M91 WeakPolarHBondContact O-CA 3.43Å; S88-M91 WeakPolarHBondContact O-CB 3.11Å; S88-M91 PolarHBondContact O-N 3.42Å; S88-M91 WeakPolarHBondContact OG-CB 3.16Å; S88-M91 PolarHBondContact OG-N 2.82Å; M91-E93 VanDerWaalsContact C-N 3.33Å; M91-Q94 PolarHBondContact O-N 2.92Å; M91-I95 HydrophobicContact CE-CD1 4.46Å; M91-I95 HydrophobicContact CG-CD1 4.13Å; M91-I95 WeakPolarHBondContact O-CB 3.38Å; M91-I95 WeakPolarHBondContact O-CD1 3.37Å; M91-I95 WeakPolarHBondContact O-CG1 3.25Å; M91-I95 PolarHBondContact O-N 2.93Å
92L84.3Confident79.5Confident75 Ų75101 Ų10139%0.39353%0.533SS..Hα-helixtrans-63-40.9174.4-69.8175.7000111.6P87 S88 Q89 I95 R96P87-L92 HydrophobicContact CB-CD2 3.67Å; P87-L92 HydrophobicContact CB-CG 3.88Å; P87-L92 HydrophobicContact CG-CD2 3.83Å; P87-L92 HydrophobicContact CG-CG 4.49Å; S88-L92 PolarHBondContact O-N 2.9Å; Q89-L92 PolarHBondContact O-N 2.98Å; L92-I95 PolarHBondContact O-N 3.1Å; L92-R96 WeakPolarHBondContact O-CG 3.26Å; L92-R96 PolarHBondContact O-N 3.36Å
93E89.9Confident81.3Confident103 Ų103101 Ų10148%0.48154%0.541SS..Hα-helixtrans-67.9-43.9178-169.457.5-155.900111.4Q89 E90 M91 I95 R96 V97Q89-E93 WeakPolarHBondContact O-CB 3.29Å; Q89-E93 PolarHBondContact O-N 3.29Å; E90-E93 PolarHBondContact O-N 3.04Å; M91-E93 VanDerWaalsContact C-N 3.33Å; E93-I95 VanDerWaalsContact C-N 3.3Å; E93-I95 PolarHBondContact O-N 3.43Å; E93-R96 WeakPolarHBondContact O-CB 3.42Å; E93-R96 PolarHBondContact O-N 3.19Å; E93-V97 WeakPolarHBondContact O-CG2 3.34Å; E93-V97 PolarHBondContact O-N 3.17Å
94Q92.2Very high83.5Confident114 Ų11499.4 Ų99.453%0.53353%0.529SS..Hα-helixtrans-58.2-42.4173.1-74177.8-5.100111.9E90 M91 R96 V97 L98E90-Q94 WeakPolarHBondContact O-CG 3.4Å; E90-Q94 PolarHBondContact O-N 2.91Å; M91-Q94 PolarHBondContact O-N 2.92Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 3.37Å; Q94-V97 PolarHBondContact O-N 3.23Å; Q94-L98 WeakPolarHBondContact O-CB 3.43Å; Q94-L98 VanDerWaalsContact O-CG 3.26Å; Q94-L98 WeakPolarHBondContact O-CG 3.28Å; Q94-L98 PolarHBondContact O-N 3.37Å
95I90.3Very high85.7Confident60 Ų6096.6 Ų96.631%0.30851%0.513SS..Hα-helixtrans-61.5-40.2175.2-71.2164000111M91 L92 E93 K99M91-I95 HydrophobicContact CE-CD1 4.46Å; M91-I95 HydrophobicContact CG-CD1 4.13Å; M91-I95 WeakPolarHBondContact O-CB 3.38Å; M91-I95 WeakPolarHBondContact O-CD1 3.37Å; M91-I95 WeakPolarHBondContact O-CG1 3.25Å; M91-I95 PolarHBondContact O-N 2.93Å; L92-I95 PolarHBondContact O-N 3.1Å; E93-I95 VanDerWaalsContact C-N 3.3Å; E93-I95 PolarHBondContact O-N 3.43Å; I95-K99 HydrophobicContact CG2-CD 4.12Å; I95-K99 HydrophobicContact CG2-CG 4.5Å; I95-K99 WeakPolarHBondContact O-CB 3.26Å; I95-K99 VanDerWaalsContact O-CG 3.25Å; I95-K99 WeakPolarHBondContact O-CG 3.35Å; I95-K99 PolarHBondContact O-N 3.29Å
96R94.1Very high87.9Confident170 Ų170100.3 Ų100.364%0.64252%0.519SS*.Hα-helixtrans-64.3-48.3177.2-74.1175.3-175.5-150.41.5111.6L92 E93 Q94 L98 K99 A100L92-R96 WeakPolarHBondContact O-CG 3.26Å; L92-R96 PolarHBondContact O-N 3.36Å; E93-R96 WeakPolarHBondContact O-CB 3.42Å; E93-R96 PolarHBondContact O-N 3.19Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 3.37Å; R96-L98 PolarHBondContact O-N 3.34Å; R96-K99 PolarHBondContact O-N 3.12Å; R96-A100 PolarHBondContact O-N 2.91Å
97V95.4Very high89.8Confident87 Ų87100.4 Ų100.453%0.52752%0.515SS..Hα-helixtrans-60.4-47.3178.8172.90000110.7E93 Q94 K99 A100 H101E93-V97 WeakPolarHBondContact O-CG2 3.34Å; E93-V97 PolarHBondContact O-N 3.17Å; Q94-V97 PolarHBondContact O-N 3.23Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.3Å; V97-A100 PolarHBondContact O-N 2.87Å; V97-H101 PolarHBondContact O-N 2.99Å
98L95.5Very high91.4Very high107 Ų107102.4 Ų102.456%0.5652%0.519SS*.Hα-helixtrans-61.8-41.2178.4-73.5168.6000111.9Q94 R96 H101 I102Q94-L98 WeakPolarHBondContact O-CB 3.43Å; Q94-L98 VanDerWaalsContact O-CG 3.26Å; Q94-L98 WeakPolarHBondContact O-CG 3.28Å; Q94-L98 PolarHBondContact O-N 3.37Å; R96-L98 PolarHBondContact O-N 3.34Å; L98-H101 PolarHBondContact O-N 3.19Å; L98-I102 WeakPolarHBondContact O-CG1 3.33Å; L98-I102 PolarHBondContact O-N 3.12Å
99K96.3Very high92.7Very high141 Ų141105.2 Ų105.261%0.61353%0.525SS*.Hα-helixtrans-63.6-40.7175.3-78-179.7177.7-171.20112.5I95 R96 V97 H101 I102 A103I95-K99 HydrophobicContact CG2-CD 4.12Å; I95-K99 HydrophobicContact CG2-CG 4.5Å; I95-K99 WeakPolarHBondContact O-CB 3.26Å; I95-K99 VanDerWaalsContact O-CG 3.25Å; I95-K99 WeakPolarHBondContact O-CG 3.35Å; I95-K99 PolarHBondContact O-N 3.29Å; R96-K99 PolarHBondContact O-N 3.12Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.3Å; K99-H101 VanDerWaalsContact C-N 3.32Å; K99-I102 PolarHBondContact O-N 3.42Å; K99-A103 PolarHBondContact O-N 3.4Å; K99-A103 VanDerWaalsContact O-N 3.12Å
100A96.3Very high93.8Very high62 Ų62103.4 Ų103.451%0.51251%0.514SS..Hα-helixtrans-63.4-41.6175.600000111.1R96 V97 A103 E104R96-A100 PolarHBondContact O-N 2.91Å; V97-A100 PolarHBondContact O-N 2.87Å; A100-A103 PolarHBondContact O-N 3.18Å; A100-E104 PolarHBondContact O-N 3.43Å
101H96.6Very high94.7Very high93 Ų93101.1 Ų101.143%0.43150%0.504SS..Hα-helixtrans-66.5-37.9177.8-166.954.4000112.6V97 L98 K99 E104 L105V97-H101 PolarHBondContact O-N 2.99Å; L98-H101 PolarHBondContact O-N 3.19Å; K99-H101 VanDerWaalsContact C-N 3.32Å; H101-E104 IonicContact ND1-OE2 3.14Å; H101-E104 PolarHBondContact ND1-OE2 3.21Å; H101-E104 PolarHBondContact O-N 3.46Å; H101-L105 WeakPolarHBondContact O-CB 3.29Å; H101-L105 VanDerWaalsContact O-CG 3.29Å; H101-L105 WeakPolarHBondContact O-CG 3.44Å; H101-L105 PolarHBondContact O-N 3.02Å
102I97.6Very high95.4Very high91 Ų91102.1 Ų102.147%0.46751%0.51SS..Hα-helixtrans-59.6-48.2172.6-70.1165.8000110.4L98 K99 E104 L105 E106L98-I102 WeakPolarHBondContact O-CG1 3.33Å; L98-I102 PolarHBondContact O-N 3.12Å; K99-I102 PolarHBondContact O-N 3.42Å; I102-E104 VanDerWaalsContact C-N 3.3Å; I102-E104 PolarHBondContact O-N 2.93Å; I102-L105 PolarHBondContact O-N 3.22Å; I102-E106 HydrophobicContact CG2-CG 4.34Å; I102-E106 WeakPolarHBondContact O-CG 3.47Å; I102-E106 PolarHBondContact O-N 3.19Å
103A97.1Very high96.1Very high47 Ų47103 Ų10339%0.38852%0.515SS..Hα-helixtrans-62.9-36.8179.700000112.5K99 A100 V107K99-A103 PolarHBondContact O-N 3.4Å; K99-A103 VanDerWaalsContact O-N 3.12Å; A100-A103 PolarHBondContact O-N 3.18Å; A103-V107 WeakPolarHBondContact O-CG2 3.34Å; A103-V107 PolarHBondContact O-N 2.84Å
104E97.6Very high96.4Very high107 Ų107102.4 Ų102.450%0.552%0.515SS..Hα-helixtrans-64.1-46.4173.8-178.8178.9-153.600111.7A100 H101 I102 E106 V107 Q108A100-E104 PolarHBondContact O-N 3.43Å; H101-E104 IonicContact ND1-OE2 3.14Å; H101-E104 PolarHBondContact ND1-OE2 3.21Å; H101-E104 PolarHBondContact O-N 3.46Å; I102-E104 VanDerWaalsContact C-N 3.3Å; I102-E104 PolarHBondContact O-N 2.93Å; E104-E106 VanDerWaalsContact C-N 3.34Å; E104-E106 PolarHBondContact O-N 2.93Å; E104-V107 PolarHBondContact O-N 3.04Å; E104-Q108 PolarHBondContact O-N 3.47Å
105L97.7Very high96.7Very high79 Ų79101.5 Ų101.541%0.41451%0.511SS..Hα-helixtrans-62.8-39.7177.6-72172.1000111.9H101 I102 V107 Q108 E109H101-L105 WeakPolarHBondContact O-CB 3.29Å; H101-L105 VanDerWaalsContact O-CG 3.29Å; H101-L105 WeakPolarHBondContact O-CG 3.44Å; H101-L105 PolarHBondContact O-N 3.02Å; I102-L105 PolarHBondContact O-N 3.22Å; L105-V107 VanDerWaalsContact C-N 3.29Å; L105-V107 PolarHBondContact O-N 3.2Å; L105-Q108 PolarHBondContact O-N 3.39Å; L105-E109 WeakPolarHBondContact O-CB 3.39Å; L105-E109 PolarHBondContact O-N 3.4Å
106E97.8Very high97Very high120 Ų120104.4 Ų104.456%0.56152%0.521SS*.Hα-helixtrans-61-37.4175.5-74.5173.6170.400112I102 E104 K110I102-E106 HydrophobicContact CG2-CG 4.34Å; I102-E106 WeakPolarHBondContact O-CG 3.47Å; I102-E106 PolarHBondContact O-N 3.19Å; E104-E106 VanDerWaalsContact C-N 3.34Å; E104-E106 PolarHBondContact O-N 2.93Å; E106-K110 WeakPolarHBondContact O-CB 3.29Å; E106-K110 PolarHBondContact O-N 2.89Å; E106-K110 VanDerWaalsContact O-N 3.14Å
107V97.6Very high97.1Very high105 Ų10598.9 Ų98.964%0.63651%0.512SS*.Hα-helixtrans-68.9-41.7175172.60000111.2A103 E104 L105 K110 E111A103-V107 WeakPolarHBondContact O-CG2 3.34Å; A103-V107 PolarHBondContact O-N 2.84Å; E104-V107 PolarHBondContact O-N 3.04Å; L105-V107 VanDerWaalsContact C-N 3.29Å; L105-V107 PolarHBondContact O-N 3.2Å; V107-K110 PolarHBondContact O-N 2.93Å; V107-E111 PolarHBondContact O-N 3.05Å
108Q97.4Very high97.1Very high105 Ų105103 Ų10349%0.49152%0.518SS..Hα-helixtrans-65.1-41.7177.2-72.2-176-22.800112.4E104 L105 K110 E111 L112E104-Q108 PolarHBondContact O-N 3.47Å; L105-Q108 PolarHBondContact O-N 3.39Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 2.96Å; Q108-E111 PolarHBondContact O-N 3.36Å; Q108-L112 WeakPolarHBondContact O-CG 3.5Å; Q108-L112 PolarHBondContact O-N 3.33Å
109E97.6Very high97.1Very high126 Ų126101.2 Ų101.259%0.58951%0.512SS*.Hα-helixtrans-59.2-45.7175.6-175.6175.2-163.500110.6L105 E111 L112 D113L105-E109 WeakPolarHBondContact O-CB 3.39Å; L105-E109 PolarHBondContact O-N 3.4Å; E109-E111 PolarHBondContact O-N 3.22Å; E109-L112 PolarHBondContact O-N 3.48Å; E109-D113 PolarHBondContact O-N 3.14Å
110K97.8Very high96.9Very high137 Ų13798.8 Ų98.860%0.59650%0.503SS*.Hα-helixtrans-61-44.3177.1-172.4-175.4175.4-171.80112.9E106 V107 Q108 L112 D113 D114E106-K110 WeakPolarHBondContact O-CB 3.29Å; E106-K110 PolarHBondContact O-N 2.89Å; E106-K110 VanDerWaalsContact O-N 3.14Å; V107-K110 PolarHBondContact O-N 2.93Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 2.96Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 2.94Å; K110-D113 PolarHBondContact O-N 2.99Å; K110-D114 PolarHBondContact O-N 3.41Å
111E97.9Very high96.8Very high104 Ų10499.8 Ų99.849%0.48650%0.497SS..Hα-helixtrans-61.3-41.4177.1177.563.8-150.100111.3V107 Q108 E109 D114 Q115V107-E111 PolarHBondContact O-N 3.05Å; Q108-E111 PolarHBondContact O-N 3.36Å; E109-E111 PolarHBondContact O-N 3.22Å; E111-D114 PolarHBondContact O-N 3.02Å; E111-Q115 VanDerWaalsContact O-CG 3.29Å; E111-Q115 WeakPolarHBondContact O-CG 3.37Å; E111-Q115 PolarHBondContact O-N 3.45Å; E111-Q115 PolarHBondContact OE1-NE2 3.45Å
112L97.6Very high96.5Very high112 Ų11298.1 Ų98.159%0.58649%0.491SS*.Hα-helixtrans-64.8-39.8176.2-72.1171.4000112Q108 E109 K110 Q115 K116Q108-L112 WeakPolarHBondContact O-CG 3.5Å; Q108-L112 PolarHBondContact O-N 3.33Å; E109-L112 PolarHBondContact O-N 3.48Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 2.94Å; L112-Q115 PolarHBondContact O-N 2.92Å; L112-K116 WeakPolarHBondContact O-CB 3.44Å; L112-K116 PolarHBondContact O-N 3.34Å
113D97.6Very high96.1Very high92 Ų9298.3 Ų98.349%0.49249%0.492SS..Hα-helixtrans-64.1-41.4175-81.7-22.6000112.1E109 K110 K116 A117E109-D113 PolarHBondContact O-N 3.14Å; K110-D113 PolarHBondContact O-N 2.99Å; D113-K116 PolarHBondContact O-N 3.43Å; D113-A117 WeakPolarHBondContact O-CB 3.42Å; D113-A117 PolarHBondContact O-N 2.96Å
114D97Very high95.5Very high91 Ų91101 Ų10149%0.48750%0.495SS..Hα-helixtrans-63.8-43.8176.2-74.1-22.5000111.1K110 E111 A117 W118K110-D114 PolarHBondContact O-N 3.41Å; E111-D114 PolarHBondContact O-N 3.02Å; D114-A117 PolarHBondContact O-N 2.91Å; D114-W118 WeakPolarHBondContact O-CB 3.33Å; D114-W118 PolarHBondContact O-N 2.94Å
115Q97.1Very high94.7Very high95 Ų95101.9 Ų101.944%0.44450%0.499SS..Hα-helixtrans-63-42.8175.5-73176.24.500112.1E111 L112 W118 V119E111-Q115 VanDerWaalsContact O-CG 3.29Å; E111-Q115 WeakPolarHBondContact O-CG 3.37Å; E111-Q115 PolarHBondContact O-N 3.45Å; E111-Q115 PolarHBondContact OE1-NE2 3.45Å; L112-Q115 PolarHBondContact O-N 2.92Å; Q115-W118 PolarHBondContact O-N 3.36Å; Q115-V119 WeakPolarHBondContact O-CG2 3.42Å; Q115-V119 PolarHBondContact O-N 3.26Å
116K96.9Very high93.8Very high121 Ų121103.2 Ų103.253%0.52651%0.506SS..Hα-helixtrans-61.4-48.8176.8178.4-178.1167.7-171.10110.9L112 D113 W118 V119 E120L112-K116 WeakPolarHBondContact O-CB 3.44Å; L112-K116 PolarHBondContact O-N 3.34Å; D113-K116 PolarHBondContact O-N 3.43Å; K116-W118 VanDerWaalsContact C-N 3.28Å; K116-W118 PolarHBondContact O-N 3.01Å; K116-V119 PolarHBondContact O-N 3.46Å; K116-E120 WeakPolarHBondContact CE-OE1 3.32Å; K116-E120 HydrophobicContact CG-CG 4.48Å; K116-E120 WeakPolarHBondContact O-CB 3.01Å; K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 3.34Å
117A96.2Very high92.7Very high55 Ų55100.9 Ų100.946%0.45550%0.5SS..Hα-helixtrans-59.4-41177.700000111.6D113 D114 E120 E121D113-A117 WeakPolarHBondContact O-CB 3.42Å; D113-A117 PolarHBondContact O-N 2.96Å; D114-A117 PolarHBondContact O-N 2.91Å; A117-E120 PolarHBondContact O-N 3.46Å; A117-E121 WeakPolarHBondContact O-CB 3.17Å; A117-E121 PolarHBondContact O-N 2.78Å
118W96Very high91.2Very high173 Ų173101.3 Ų101.366%0.65550%0.495SS*.Hα-helixtrans-61.9-47.9176.4-177.584.9000112.3D114 Q115 K116 E121 N122D114-W118 WeakPolarHBondContact O-CB 3.33Å; D114-W118 PolarHBondContact O-N 2.94Å; Q115-W118 PolarHBondContact O-N 3.36Å; K116-W118 VanDerWaalsContact C-N 3.28Å; K116-W118 PolarHBondContact O-N 3.01Å; W118-E121 PolarHBondContact O-N 3.33Å; W118-N122 WeakPolarHBondContact CH2-ND2 3.45Å; W118-N122 WeakPolarHBondContact CZ2-ND2 3.47Å; W118-N122 PolarHBondContact NE1-ND2 3.45Å; W118-N122 PolarHBondContact O-N 3.38Å; W118-N122 PolarHBondContact O-ND2 3.27Å
119V94.6Very high89.7Confident69 Ų6999.5 Ų99.542%0.41849%0.488SS..Hα-helixtrans-63.6-44.2178.3173.40000111Q115 K116 E121 N122 I123Q115-V119 WeakPolarHBondContact O-CG2 3.42Å; Q115-V119 PolarHBondContact O-N 3.26Å; K116-V119 PolarHBondContact O-N 3.46Å; V119-E121 VanDerWaalsContact C-N 3.26Å; V119-E121 PolarHBondContact O-N 3.02Å; V119-N122 PolarHBondContact O-N 3.18Å; V119-I123 HydrophobicContact CG1-CD1 3.78Å; V119-I123 HydrophobicContact CG1-CG1 4.32Å; V119-I123 WeakPolarHBondContact O-CG1 3.33Å; V119-I123 PolarHBondContact O-N 2.93Å
120E93.7Very high88Confident91 Ų9197.9 Ų97.943%0.42549%0.489SS..Hα-helixtrans-58.3-40.2177.8-75.2179.3179.700111.7K116 A117 K124K116-E120 WeakPolarHBondContact CE-OE1 3.32Å; K116-E120 HydrophobicContact CG-CG 4.48Å; K116-E120 WeakPolarHBondContact O-CB 3.01Å; K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 3.34Å; A117-E120 PolarHBondContact O-N 3.46Å; E120-K124 WeakPolarHBondContact O-CG 3.35Å; E120-K124 PolarHBondContact O-N 3.43Å; E120-K124 VanDerWaalsContact O-N 3.09Å
121E92.8Very high86.3Confident83 Ų8396.9 Ų96.939%0.38849%0.49SS..Hα-helixtrans-70.8-41.8178.1-163.559-161.200112.4A117 W118 V119 I123 K124 H125A117-E121 WeakPolarHBondContact O-CB 3.17Å; A117-E121 PolarHBondContact O-N 2.78Å; W118-E121 PolarHBondContact O-N 3.33Å; V119-E121 VanDerWaalsContact C-N 3.26Å; V119-E121 PolarHBondContact O-N 3.02Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 3.16Å; E121-K124 WeakPolarHBondContact O-CB 3.47Å; E121-K124 PolarHBondContact O-N 3.41Å; E121-K124 VanDerWaalsContact O-N 3.16Å; E121-K124 IonicContact OE2-NZ 3.46Å; E121-K124 PolarHBondContact OE2-NZ 2.94Å; E121-K124 VanDerWaalsContact OE2-NZ 3.14Å; E121-H125 PolarHBondContact O-CD2 2.87Å; E121-H125 PolarHBondContact O-N 3.27Å; E121-H125 IonicContact OE1-CD2 2.64Å; E121-H125 IonicContact OE1-NE2 3.09Å; E121-H125 PolarHBondContact OE1-NE2 2.83Å
122N90.9Very high84.4Confident58 Ų5896.5 Ų96.531%0.3149%0.49SS..Hα-helixtrans-60.5-42.2174.1-76.6-67.3000112.2W118 V119 K124 H125 L126W118-N122 WeakPolarHBondContact CH2-ND2 3.45Å; W118-N122 WeakPolarHBondContact CZ2-ND2 3.47Å; W118-N122 PolarHBondContact NE1-ND2 3.45Å; W118-N122 PolarHBondContact O-N 3.38Å; W118-N122 PolarHBondContact O-ND2 3.27Å; V119-N122 PolarHBondContact O-N 3.18Å; N122-K124 VanDerWaalsContact C-N 3.32Å; N122-K124 PolarHBondContact O-N 3.27Å; N122-H125 PolarHBondContact O-N 3.14Å; N122-L126 WeakPolarHBondContact O-CB 3.29Å; N122-L126 VanDerWaalsContact O-CG 3.32Å; N122-L126 WeakPolarHBondContact O-CG 3.33Å; N122-L126 PolarHBondContact O-N 2.91Å
123I88.7Confident82.4Confident95 Ų9598.9 Ų98.949%0.48749%0.492SS..Hα-helixtrans-60.6-43.6175.5-69.6169.6000110.3V119 E121 L126 T127V119-I123 HydrophobicContact CG1-CD1 3.78Å; V119-I123 HydrophobicContact CG1-CG1 4.32Å; V119-I123 WeakPolarHBondContact O-CG1 3.33Å; V119-I123 PolarHBondContact O-N 2.93Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 3.16Å; I123-L126 PolarHBondContact O-N 3.09Å; I123-T127 HydrophobicContact CG2-CG2 4.23Å; I123-T127 WeakPolarHBondContact O-CB 3.25Å; I123-T127 VanDerWaalsContact O-CG2 3.25Å; I123-T127 WeakPolarHBondContact O-CG2 3.38Å; I123-T127 PolarHBondContact O-N 2.77Å; I123-T127 PolarHBondContact O-OG1 2.91Å
124K85.9Confident80.6Confident104 Ų10497.9 Ų97.945%0.45250%0.496SS..Hα-helixtrans-60.9-46175.8-71.8174.2-157.8156.50111.7E120 E121 N122 T127 H128E120-K124 WeakPolarHBondContact O-CG 3.35Å; E120-K124 PolarHBondContact O-N 3.43Å; E120-K124 VanDerWaalsContact O-N 3.09Å; E121-K124 WeakPolarHBondContact O-CB 3.47Å; E121-K124 PolarHBondContact O-N 3.41Å; E121-K124 VanDerWaalsContact O-N 3.16Å; E121-K124 IonicContact OE2-NZ 3.46Å; E121-K124 PolarHBondContact OE2-NZ 2.94Å; E121-K124 VanDerWaalsContact OE2-NZ 3.14Å; N122-K124 VanDerWaalsContact C-N 3.32Å; N122-K124 PolarHBondContact O-N 3.27Å; K124-T127 WeakPolarHBondContact CA-OG1 3.46Å; K124-T127 PolarHBondContact O-N 3.46Å; K124-T127 PolarHBondContact O-OG1 2.91Å; K124-H128 WeakPolarHBondContact O-CB 3.36Å; K124-H128 PolarHBondContact O-N 3.47Å; K124-H128 VanDerWaalsContact O-N 3.08Å; K124-H128 PolarHBondContact O-ND1 3.28Å
125H80.8Confident78.8Confident124 Ų124100.7 Ų100.757%0.57450%0.501SS*.Hα-helixtrans-60.1-47.4177.6-79.3-66.7000112E121 N122 T127 H128 D129E121-H125 PolarHBondContact O-CD2 2.87Å; E121-H125 PolarHBondContact O-N 3.27Å; E121-H125 IonicContact OE1-CD2 2.64Å; E121-H125 IonicContact OE1-NE2 3.09Å; E121-H125 PolarHBondContact OE1-NE2 2.83Å; N122-H125 PolarHBondContact O-N 3.14Å; H125-T127 VanDerWaalsContact C-N 3.33Å; H125-T127 PolarHBondContact O-N 3.38Å; H125-H128 PolarHBondContact O-N 3.46Å; H125-D129 PolarHBondContact O-N 3.09Å
126L78.4Confident77Confident107 Ų10799.5 Ų99.556%0.5650%0.501SS*.Hα-helixtrans-64.1-35177.8-68.8170.7000112.7N122 I123 H128 I132N122-L126 WeakPolarHBondContact O-CB 3.29Å; N122-L126 VanDerWaalsContact O-CG 3.32Å; N122-L126 WeakPolarHBondContact O-CG 3.33Å; N122-L126 PolarHBondContact O-N 2.91Å; I123-L126 PolarHBondContact O-N 3.09Å; L126-H128 VanDerWaalsContact C-N 3.34Å; L126-I132 VanDerWaalsContact O-CD1 3.25Å; L126-I132 WeakPolarHBondContact O-CD1 3.46Å
127T73.6Confident75.2Confident72 Ų7298.3 Ų98.344%0.44251%0.508SS..Hα-helixtrans-79.8-13.9179.252.20000114.3I123 K124 H125 R133I123-T127 HydrophobicContact CG2-CG2 4.23Å; I123-T127 WeakPolarHBondContact O-CB 3.25Å; I123-T127 VanDerWaalsContact O-CG2 3.25Å; I123-T127 WeakPolarHBondContact O-CG2 3.38Å; I123-T127 PolarHBondContact O-N 2.77Å; I123-T127 PolarHBondContact O-OG1 2.91Å; K124-T127 WeakPolarHBondContact CA-OG1 3.46Å; K124-T127 PolarHBondContact O-N 3.46Å; K124-T127 PolarHBondContact O-OG1 2.91Å; H125-T127 VanDerWaalsContact C-N 3.33Å; H125-T127 PolarHBondContact O-N 3.38Å; T127-R133 PolarHBondContact O-NE 3.03Å; T127-R133 VanDerWaalsContact O-NE 3.12Å
128H66.2Low73.5Confident114 Ų11498.2 Ų98.253%0.52851%0.507SS..THydrogen-bonded Turntrans-96.3-2.9175.1-75.377.7000113.4K124 H125 L126 P130K124-H128 WeakPolarHBondContact O-CB 3.36Å; K124-H128 PolarHBondContact O-N 3.47Å; K124-H128 VanDerWaalsContact O-N 3.08Å; K124-H128 PolarHBondContact O-ND1 3.28Å; H125-H128 PolarHBondContact O-N 3.46Å; L126-H128 VanDerWaalsContact C-N 3.34Å; H128-P130 WeakPolarHBondContact O-CD 3.29Å
129D67.3Low71.7Confident66 Ų6695 Ų9535%0.35350%0.502SS..  trans-61.8118.1173.4-161.4-34.9000109.9H125 D131 I132 R133H125-D129 PolarHBondContact O-N 3.09Å; D129-D131 PolarHBondContact O-N 3.08Å; D129-D131 PolarHBondContact OD1-N 3.41Å; D129-D131 VanDerWaalsContact OD1-N 3.11Å; D129-I132 HydrophobicContact CB-CB 4.43Å; D129-I132 HydrophobicContact CB-CD1 4.1Å; D129-I132 HydrophobicContact CB-CG1 4.26Å; D129-I132 PolarHBondContact O-N 3.31Å; D129-I132 VanDerWaalsContact O-N 3.12Å; D129-R133 PolarHBondContact O-N 3.38Å
130P60.8Low70.1Confident93 Ų9395 Ų9560%0.60451%0.505SS*.Hα-helixtrans-60.4-25.4-179.224.6-33.9000112.6H128 R133 A134H128-P130 WeakPolarHBondContact O-CD 3.29Å; P130-R133 PolarHBondContact O-N 2.77Å; P130-A134 VanDerWaalsContact O-CB 3.27Å; P130-A134 WeakPolarHBondContact O-CB 3.33Å; P130-A134 PolarHBondContact O-N 2.98Å
131D63.1Low68.5Low115 Ų11598.4 Ų98.462%0.61552%0.518SS*.Hα-helixtrans-70.5-32.5177.5-76.6-18.1000111.9D129 Y135D129-D131 PolarHBondContact O-N 3.08Å; D129-D131 PolarHBondContact OD1-N 3.41Å; D129-D131 VanDerWaalsContact OD1-N 3.11Å; D131-Y135 WeakPolarHBondContact O-CD2 3.19Å; D131-Y135 WeakPolarHBondContact O-CE2 3.21Å
132I58.1Low67.1Low97 Ų97101.6 Ų101.650%0.49753%0.531SS..Hα-helixtrans-76.6-33.3176.3-66.3172.9000110.9L126 D129L126-I132 VanDerWaalsContact O-CD1 3.25Å; L126-I132 WeakPolarHBondContact O-CD1 3.46Å; D129-I132 HydrophobicContact CB-CB 4.43Å; D129-I132 HydrophobicContact CB-CD1 4.1Å; D129-I132 HydrophobicContact CB-CG1 4.26Å; D129-I132 PolarHBondContact O-N 3.31Å; D129-I132 VanDerWaalsContact O-N 3.12Å
133R55.2Low65.9Low162 Ų162106 Ų10661%0.61155%0.548SS*.Hα-helixtrans-76.6-20.3175.9-71177.5163.5-168.5-5.3113.8T127 D129 P130 Y135T127-R133 PolarHBondContact O-NE 3.03Å; T127-R133 VanDerWaalsContact O-NE 3.12Å; D129-R133 PolarHBondContact O-N 3.38Å; P130-R133 PolarHBondContact O-N 2.77Å; R133-Y135 VanDerWaalsContact C-N 3.28Å; R133-Y135 PolarHBondContact O-N 3.12Å
134A59.2Low64.8Low70 Ų70106 Ų10658%0.57955%0.552SS**THydrogen-bonded Turntrans-78.2-7.6-179.500000114P130 P136P130-A134 VanDerWaalsContact O-CB 3.27Å; P130-A134 WeakPolarHBondContact O-CB 3.33Å; P130-A134 PolarHBondContact O-N 2.98Å; A134-P136 WeakPolarHBondContact O-CD 3.25Å
135Y58.4Low63.9Low151 Ų151108 Ų10859%0.59256%0.561SS**SBendtrans-85.9101.2168-63.4-77.4000109.1D131 R133 S137D131-Y135 WeakPolarHBondContact O-CD2 3.19Å; D131-Y135 WeakPolarHBondContact O-CE2 3.21Å; R133-Y135 VanDerWaalsContact C-N 3.28Å; R133-Y135 PolarHBondContact O-N 3.12Å; Y135-S137 PolarHBondContact O-N 3.42Å; Y135-S137 VanDerWaalsContact O-N 3.16Å
136P59.5Low63.2Low70 Ų70108.5 Ų108.546%0.45556%0.559SS.*  trans-55.6129.6167.324.5-33000106.9A134 A138 L139A134-P136 WeakPolarHBondContact O-CD 3.25Å; P136-A138 CarbonylContact O-C 3.55Å; P136-A138 PolarHBondContact O-N 2.94Å; P136-L139 HydrophobicContact CG-CB 4.16Å; P136-L139 HydrophobicContact CG-CD1 3.57Å; P136-L139 HydrophobicContact CG-CG 3.78Å; P136-L139 PolarHBondContact O-N 3.07Å
137S60.8Low62.8Low95 Ų95106.6 Ų106.666%0.66455%0.551SS**Hα-helixtrans-44.6-32.9-175.6490000113Y135 C140 F141Y135-S137 PolarHBondContact O-N 3.42Å; Y135-S137 VanDerWaalsContact O-N 3.16Å; S137-C140 PolarHBondContact O-N 2.92Å; S137-F141 VanDerWaalsContact O-CD2 3.29Å; S137-F141 WeakPolarHBondContact O-CD2 3.49Å; S137-F141 PolarHBondContact O-N 3.35Å
138A58.9Low62.6Low54 Ų54110.9 Ų110.945%0.44656%0.564SS.*Hα-helixtrans-57.2-46.5172.300000114.6P136 C140 F141 F142P136-A138 CarbonylContact O-C 3.55Å; P136-A138 PolarHBondContact O-N 2.94Å; A138-C140 PolarHBondContact O-N 3.45Å; A138-F141 PolarHBondContact O-N 3.26Å; A138-F142 VanDerWaalsContact O-CD2 3.24Å; A138-F142 WeakPolarHBondContact O-CD2 3.36Å; A138-F142 PolarHBondContact O-N 2.77Å
139L59.1Low62.9Low105 Ų105109 Ų10955%0.5556%0.561SS.*Hα-helixtrans-70-31.8-177.3-72.3178.8000112.7P136 F142 F143P136-L139 HydrophobicContact CG-CB 4.16Å; P136-L139 HydrophobicContact CG-CD1 3.57Å; P136-L139 HydrophobicContact CG-CG 3.78Å; P136-L139 PolarHBondContact O-N 3.07Å; L139-F142 PolarHBondContact O-N 3.41Å; L139-F143 WeakPolarHBondContact O-CB 3.45Å; L139-F143 PolarHBondContact O-N 2.88Å
140C60.8Low62.7Low70 Ų70113.3 Ų113.347%0.47357%0.573SS.*Hα-helixtrans-68.3-41.3175.1-154.70000111S137 A138 F143 V144S137-C140 PolarHBondContact O-N 2.92Å; A138-C140 PolarHBondContact O-N 3.45Å; C140-F143 PolarHBondContact O-N 2.95Å; C140-V144 WeakPolarHBondContact O-CG2 3.45Å; C140-V144 PolarHBondContact O-N 3.41Å; C140-V144 VanDerWaalsContact O-N 3.07Å
141F60.8Low62.5Low161 Ų161115.5 Ų115.571%0.70658%0.58SS**Hα-helixtrans-62.6-44.2171.3-87.7-77.6000112.1S137 A138 F143 F145S137-F141 VanDerWaalsContact O-CD2 3.29Å; S137-F141 WeakPolarHBondContact O-CD2 3.49Å; S137-F141 PolarHBondContact O-N 3.35Å; A138-F141 PolarHBondContact O-N 3.26Å; F141-F143 PolarHBondContact O-N 3.11Å; F141-F145 WeakPolarHBondContact O-CB 3.26Å; F141-F145 PolarHBondContact O-N 3.26Å
142F63.5Low62Low151 Ų151118.1 Ų118.166%0.66261%0.605SS**Hα-helixtrans-63.6-38.1177.4-90.3-77.8000112.7A138 L139 Y146A138-F142 VanDerWaalsContact O-CD2 3.24Å; A138-F142 WeakPolarHBondContact O-CD2 3.36Å; A138-F142 PolarHBondContact O-N 2.77Å; L139-F142 PolarHBondContact O-N 3.41Å; F142-Y146 WeakPolarHBondContact O-CA 3.17Å; F142-Y146 WeakPolarHBondContact O-CB 3.4Å; F142-Y146 PolarHBondContact O-N 3.12Å
143F63.8Low62.2Low150 Ų150119.2 Ų119.266%0.65861%0.611SS**Hα-helixtrans-70.1-44.3179.1-161.9-96.4000112L139 C140 F141 Y146 V147L139-F143 WeakPolarHBondContact O-CB 3.45Å; L139-F143 PolarHBondContact O-N 2.88Å; C140-F143 PolarHBondContact O-N 2.95Å; F141-F143 PolarHBondContact O-N 3.11Å; F143-Y146 PolarHBondContact O-N 3.2Å; F143-V147 HydrophobicContact CD1-CG2 4.2Å; F143-V147 HydrophobicContact CE1-CG2 4.01Å; F143-V147 HydrophobicContact CZ-CG2 4.42Å; F143-V147 WeakPolarHBondContact O-CB 3.08Å; F143-V147 VanDerWaalsContact O-CG2 3.29Å; F143-V147 WeakPolarHBondContact O-CG2 3.13Å; F143-V147 PolarHBondContact O-N 2.98Å
144V66.3Low62.6Low94 Ų94116.9 Ų116.957%0.5761%0.611SS**Hα-helixtrans-65.1-41.3176.1176.90000110.8C140 F148C140-V144 WeakPolarHBondContact O-CG2 3.45Å; C140-V144 PolarHBondContact O-N 3.41Å; C140-V144 VanDerWaalsContact O-N 3.07Å; V144-F148 VanDerWaalsContact O-CB 3.29Å; V144-F148 WeakPolarHBondContact O-CB 3.27Å; V144-F148 PolarHBondContact O-N 3.16Å
145F66.3Low62.7Low147 Ų147119.6 Ų119.665%0.64561%0.613SS**Hα-helixtrans-70-39.5177.1-149.2-94.8000112F141 F148 V149F141-F145 WeakPolarHBondContact O-CB 3.26Å; F141-F145 PolarHBondContact O-N 3.26Å; F145-F148 PolarHBondContact O-N 3.47Å; F145-V149 HydrophobicContact CD1-CG2 3.6Å; F145-V149 HydrophobicContact CE1-CG2 3.59Å; F145-V149 HydrophobicContact CG-CG2 4.35Å; F145-V149 HydrophobicContact CZ-CG2 4.34Å; F145-V149 WeakPolarHBondContact O-CB 3.04Å; F145-V149 WeakPolarHBondContact O-CG2 3.48Å; F145-V149 PolarHBondContact O-N 3.5Å
146Y68.1Low63Low135 Ų135117.7 Ų117.753%0.52961%0.614SS.*Hα-helixtrans-65.2-44.8177-172-93.1000111.3F142 F143 F148 V149 Y150F142-Y146 WeakPolarHBondContact O-CA 3.17Å; F142-Y146 WeakPolarHBondContact O-CB 3.4Å; F142-Y146 PolarHBondContact O-N 3.12Å; F143-Y146 PolarHBondContact O-N 3.2Å; Y146-F148 VanDerWaalsContact C-N 3.35Å; Y146-F148 PolarHBondContact O-N 3.47Å; Y146-V149 PolarHBondContact O-N 3.4Å; Y146-Y150 HydrophobicContact CD1-CD2 4.34Å; Y146-Y150 AromaticContact CD2-CD2 3.41Å; Y146-Y150 HydrophobicContact CD2-CD2 3.41Å; Y146-Y150 VanDerWaalsContact CD2-CD2 3.41Å; Y146-Y150 AromaticContact CD2-CE2 3.45Å; Y146-Y150 HydrophobicContact CD2-CE2 3.45Å; Y146-Y150 VanDerWaalsContact CD2-CE2 3.45Å; Y146-Y150 HydrophobicContact CD2-CG 4.3Å; Y146-Y150 HydrophobicContact CE1-CD2 4.37Å; Y146-Y150 HydrophobicContact CE1-CG 4.38Å; Y146-Y150 HydrophobicContact CE2-CD1 4.4Å; Y146-Y150 AromaticContact CE2-CD2 3.44Å; Y146-Y150 HydrophobicContact CE2-CD2 3.44Å; Y146-Y150 VanDerWaalsContact CE2-CD2 3.44Å; Y146-Y150 HydrophobicContact CE2-CE1 4.32Å; Y146-Y150 AromaticContact CE2-CE2 3.34Å; Y146-Y150 HydrophobicContact CE2-CE2 3.34Å; Y146-Y150 AromaticContact CE2-CG 3.99Å; Y146-Y150 HydrophobicContact CE2-CG 3.99Å; Y146-Y150 AromaticContact CE2-CZ 3.81Å; Y146-Y150 AromaticContact CG-CD2 3.88Å; Y146-Y150 HydrophobicContact CG-CD2 3.88Å; Y146-Y150 HydrophobicContact CG-CE2 4.36Å; Y146-Y150 AromaticContact CZ-CD2 3.94Å; Y146-Y150 VanDerWaalsContact O-CB 3.26Å; Y146-Y150 WeakPolarHBondContact O-CB 3.29Å; Y146-Y150 WeakPolarHBondContact O-CD2 3.24Å; Y146-Y150 PolarHBondContact O-N 2.77Å
147V69.6Low63.2Low66 Ų66120.7 Ų120.740%0.462%0.624SS.*Hα-helixtrans-63.7-41.1175.6173.40000111F143 N151F143-V147 HydrophobicContact CD1-CG2 4.2Å; F143-V147 HydrophobicContact CE1-CG2 4.01Å; F143-V147 HydrophobicContact CZ-CG2 4.42Å; F143-V147 WeakPolarHBondContact O-CB 3.08Å; F143-V147 VanDerWaalsContact O-CG2 3.29Å; F143-V147 WeakPolarHBondContact O-CG2 3.13Å; F143-V147 PolarHBondContact O-N 2.98Å; V147-N151 WeakPolarHBondContact O-CB 3.01Å; V147-N151 PolarHBondContact O-N 2.86Å; V147-N151 VanDerWaalsContact O-N 3.09Å
148F69.5Low63.4Low162 Ų162122.4 Ų122.471%0.71162%0.621SS**Hα-helixtrans-73.2-31.5-179.8-153.1-91.7000113.7V144 F145 Y146V144-F148 VanDerWaalsContact O-CB 3.29Å; V144-F148 WeakPolarHBondContact O-CB 3.27Å; V144-F148 PolarHBondContact O-N 3.16Å; F145-F148 PolarHBondContact O-N 3.47Å; Y146-F148 VanDerWaalsContact C-N 3.35Å; Y146-F148 PolarHBondContact O-N 3.47Å
149V72.4Confident63.7Low76 Ų76127.3 Ų127.346%0.46163%0.633SS.*Hα-helixtrans-86.4-30.4179.8172.40000112.5F145 Y146F145-V149 HydrophobicContact CD1-CG2 3.6Å; F145-V149 HydrophobicContact CE1-CG2 3.59Å; F145-V149 HydrophobicContact CG-CG2 4.35Å; F145-V149 HydrophobicContact CZ-CG2 4.34Å; F145-V149 WeakPolarHBondContact O-CB 3.04Å; F145-V149 WeakPolarHBondContact O-CG2 3.48Å; F145-V149 PolarHBondContact O-N 3.5Å; Y146-V149 PolarHBondContact O-N 3.4Å
150Y61.8Low64.1Low156 Ų156129 Ų12961%0.61264%0.64SS**Hα-helixtrans-103-7.6-176.4-75.2-94.7000114.9Y146Y146-Y150 HydrophobicContact CD1-CD2 4.34Å; Y146-Y150 AromaticContact CD2-CD2 3.41Å; Y146-Y150 HydrophobicContact CD2-CD2 3.41Å; Y146-Y150 VanDerWaalsContact CD2-CD2 3.41Å; Y146-Y150 AromaticContact CD2-CE2 3.45Å; Y146-Y150 HydrophobicContact CD2-CE2 3.45Å; Y146-Y150 VanDerWaalsContact CD2-CE2 3.45Å; Y146-Y150 HydrophobicContact CD2-CG 4.3Å; Y146-Y150 HydrophobicContact CE1-CD2 4.37Å; Y146-Y150 HydrophobicContact CE1-CG 4.38Å; Y146-Y150 HydrophobicContact CE2-CD1 4.4Å; Y146-Y150 AromaticContact CE2-CD2 3.44Å; Y146-Y150 HydrophobicContact CE2-CD2 3.44Å; Y146-Y150 VanDerWaalsContact CE2-CD2 3.44Å; Y146-Y150 HydrophobicContact CE2-CE1 4.32Å; Y146-Y150 AromaticContact CE2-CE2 3.34Å; Y146-Y150 HydrophobicContact CE2-CE2 3.34Å; Y146-Y150 AromaticContact CE2-CG 3.99Å; Y146-Y150 HydrophobicContact CE2-CG 3.99Å; Y146-Y150 AromaticContact CE2-CZ 3.81Å; Y146-Y150 AromaticContact CG-CD2 3.88Å; Y146-Y150 HydrophobicContact CG-CD2 3.88Å; Y146-Y150 HydrophobicContact CG-CE2 4.36Å; Y146-Y150 AromaticContact CZ-CD2 3.94Å; Y146-Y150 VanDerWaalsContact O-CB 3.26Å; Y146-Y150 WeakPolarHBondContact O-CB 3.29Å; Y146-Y150 WeakPolarHBondContact O-CD2 3.24Å; Y146-Y150 PolarHBondContact O-N 2.77Å
151N57.3Low64.3Low139 Ų139133.9 Ų133.974%0.74365%0.654SS**  trans-108.816.8170.1-79.8-97.7000113.5V147V147-N151 WeakPolarHBondContact O-CB 3.01Å; V147-N151 PolarHBondContact O-N 2.86Å; V147-N151 VanDerWaalsContact O-N 3.09Å
152C52.4Low64.6Low170 Ų170131.5 Ų131.5100%1.14965%0.649SS**  trans-1140167.9-126.50000109.7

Retrieved 152 of 152 residues in 265.7 ms (Link to these results)