A0A087YL67_POEFO Loading...

Probable ATP-dependent RNA helicase DDX56

Nucleolar RNA helicase that plays a role in various biological processes including innate immunity, ribosome biogenesis or nucleolus organization. Plays an essential role in maintaining nucleolar integrity in planarian stem cells. Maintains embryonic stem cells proliferation by conventional regulation of ribosome assembly and interaction with OCT4 and POU5F1 complex. Regulates antiviral innate immunity by inhibiting the virus-triggered signaling nuclear translocation of IRF3. Mechanistically, acts by disrupting the interaction between IRF3 and importin IPO5. May play a role in later stages of the processing of the pre-ribosomal particles leading to mature 60S ribosomal subunits. Has intrinsic ATPase activity.

AlphaFold DB , UniProt , Accession A0A087YL67, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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
1M32.4Very low71.3Confident243 Ų243102.5 Ų102.5100%1.19754%0.538SS*.  0117.10-69.9-163.4-85.600107A3M1-A3 PolarHBondContact O-N 2.88Å
2A38Very low72.8Confident103 Ų10398.9 Ų98.985%0.85154%0.544SS*.PPolyproline II helixtrans-65.3116.6173.900000107E4A2-E4 PolarHBondContact O-N 3.15Å
3A48.4Very low74.4Confident89 Ų8992.2 Ų92.274%0.73651%0.507SS*.PPolyproline II helixtrans-56.9126.9176.800000108.6M1 R5M1-A3 PolarHBondContact O-N 2.88Å; A3-R5 PolarHBondContact O-N 2.8Å
4E58.1Low75.8Confident189 Ų18987.8 Ų87.888%0.88348%0.482SS*.PPolyproline II helixtrans-54.2123.7174-82175.5148.500108.8A2 L6A2-E4 PolarHBondContact O-N 3.15Å; E4-L6 PolarHBondContact O-N 2.9Å
5R72Confident76.9Confident144 Ų14490.7 Ų90.754%0.54350%0.497SS..PPolyproline II helixtrans-73.3120.5178-76.4-173.1175.8172.8-1.3108.8A3 Q7A3-R5 PolarHBondContact O-N 2.8Å; R5-Q7 PolarHBondContact O-N 2.89Å; R5-Q7 PolarHBondContact O-NE2 2.74Å; R5-Q7 VanDerWaalsContact O-NE2 3.15Å
6L85.2Confident78Confident58 Ų5889.8 Ų89.830%0.30448%0.484SS..PPolyproline II helixtrans-58.6124.8177.5-16483.4000110.2E4 E10 M11 P29 E34 P38E4-L6 PolarHBondContact O-N 2.9Å; L6-E10 WeakPolarHBondContact CA-OE2 3.46Å; L6-E10 HydrophobicContact CD1-CB 4.03Å; L6-E10 HydrophobicContact CG-CB 4.25Å; L6-M11 HydrophobicContact CD2-CE 3.98Å; L6-M11 HydrophobicContact CD2-CG 3.59Å; L6-M11 HydrophobicContact CG-CE 4.41Å; L6-M11 HydrophobicContact CG-CG 4.28Å; L6-P29 WeakPolarHBondContact O-CG 3.47Å; L6-E34 HydrophobicContact CB-CG 3.91Å; L6-P38 HydrophobicContact CD2-CG 3.69Å
7Q90.9Very high78.9Confident37 Ų3784.5 Ų84.517%0.17346%0.455CS..PPolyproline II helixtrans-89.2158.8178.6-61.4-57.4-38.100112R5 H9 E10R5-Q7 PolarHBondContact O-N 2.89Å; R5-Q7 PolarHBondContact O-NE2 2.74Å; R5-Q7 VanDerWaalsContact O-NE2 3.15Å; Q7-H9 VanDerWaalsContact C-N 3.27Å; Q7-H9 VanDerWaalsContact CB-NE2 3.32Å; Q7-H9 WeakPolarHBondContact CB-NE2 3.46Å; Q7-H9 PolarHBondContact O-N 2.94Å; Q7-E10 HydrophobicContact CB-CG 4.16Å; Q7-E10 PolarHBondContact N-OE2 2.92Å; Q7-E10 WeakPolarHBondContact O-CB 3.36Å; Q7-E10 PolarHBondContact O-N 2.72Å
8F90.3Very high79.7Confident11 Ų1182.1 Ų82.15%0.04844%0.442CS..G310 helixtrans-55.4-39.7179.9-75.7-70000113.4E10 M11 L13 L18 V21 W26 P29 I37 I62F8-E10 PolarHBondContact O-N 2.86Å; F8-M11 HydrophobicContact CD1-CE 4.49Å; F8-M11 HydrophobicContact CD1-SD 4.08Å; F8-M11 WeakPolarHBondContact O-CB 3.45Å; F8-M11 PolarHBondContact O-N 2.61Å; F8-L13 HydrophobicContact CD1-CD1 4.15Å; F8-L18 HydrophobicContact CB-CD2 3.94Å; F8-V21 HydrophobicContact CD1-CG1 4.39Å; F8-V21 HydrophobicContact CD2-CG1 3.56Å; F8-V21 HydrophobicContact CE1-CG1 4.48Å; F8-V21 HydrophobicContact CE2-CG1 3.66Å; F8-V21 HydrophobicContact CG-CG1 3.94Å; F8-V21 HydrophobicContact CZ-CG1 4.12Å; F8-W26 HydrophobicContact CE2-CB 4.19Å; F8-W26 HydrophobicContact CZ-CE3 4.15Å; F8-P29 HydrophobicContact CD1-CB 4.39Å; F8-P29 HydrophobicContact CD2-CB 4.24Å; F8-P29 HydrophobicContact CD2-CG 4.44Å; F8-P29 HydrophobicContact CE1-CB 3.95Å; F8-P29 VanDerWaalsContact CE2-CA 3.49Å; F8-P29 HydrophobicContact CE2-CB 3.79Å; F8-P29 HydrophobicContact CE2-CG 4.41Å; F8-P29 HydrophobicContact CZ-CB 3.64Å; F8-I37 HydrophobicContact CE1-CD1 4.01Å; F8-I62 HydrophobicContact CD1-CD1 4.41Å; F8-I62 HydrophobicContact CE1-CD1 3.73Å
9H88.6Confident80.4Confident128 Ų12884.3 Ų84.359%0.59345%0.447SS*.G310 helixtrans-68.5-18.9179.461.476.8000113.2Q7 L18Q7-H9 VanDerWaalsContact C-N 3.27Å; Q7-H9 VanDerWaalsContact CB-NE2 3.32Å; Q7-H9 WeakPolarHBondContact CB-NE2 3.46Å; Q7-H9 PolarHBondContact O-N 2.94Å; H9-L18 HydrophobicContact CB-CD1 4.46Å
10E89.3Confident81.1Confident109 Ų10980.1 Ų80.151%0.50943%0.425SS..G310 helixtrans-87.1-11.1178.5-53.3177.1146.900112L6 Q7 F8 G12L6-E10 WeakPolarHBondContact CA-OE2 3.46Å; L6-E10 HydrophobicContact CD1-CB 4.03Å; L6-E10 HydrophobicContact CG-CB 4.25Å; Q7-E10 HydrophobicContact CB-CG 4.16Å; Q7-E10 PolarHBondContact N-OE2 2.92Å; Q7-E10 WeakPolarHBondContact O-CB 3.36Å; Q7-E10 PolarHBondContact O-N 2.72Å; F8-E10 PolarHBondContact O-N 2.86Å; E10-G12 VanDerWaalsContact C-N 3.28Å; E10-G12 PolarHBondContact O-N 3.16Å
11M91.1Very high81.6Confident17 Ų1776.5 Ų76.58%0.08441%0.406CS..G310 helixtrans-82.70.5-178.6-62.7174.3-171.500113.6L6 F8 L13 P29 I37L6-M11 HydrophobicContact CD2-CE 3.98Å; L6-M11 HydrophobicContact CD2-CG 3.59Å; L6-M11 HydrophobicContact CG-CE 4.41Å; L6-M11 HydrophobicContact CG-CG 4.28Å; F8-M11 HydrophobicContact CD1-CE 4.49Å; F8-M11 HydrophobicContact CD1-SD 4.08Å; F8-M11 WeakPolarHBondContact O-CB 3.45Å; F8-M11 PolarHBondContact O-N 2.61Å; M11-L13 HydrophobicContact CB-CD1 4.35Å; M11-L13 HydrophobicContact CB-CD2 4.41Å; M11-L13 HydrophobicContact CB-CG 3.99Å; M11-P29 HydrophobicContact CE-CB 3.97Å; M11-P29 HydrophobicContact CE-CG 3.78Å; M11-I37 HydrophobicContact SD-CB 4.05Å; M11-I37 HydrophobicContact SD-CD1 4.1Å; M11-I37 HydrophobicContact SD-CG2 3.83Å
12G89.1Confident84.4Confident59 Ų5968.2 Ų68.261%0.60838%0.377SS*.THydrogen-bonded Turntrans67.734.7179.700000114.1E10 Q66E10-G12 VanDerWaalsContact C-N 3.28Å; E10-G12 PolarHBondContact O-N 3.16Å; G12-Q66 PolarHBondContact O-NE2 3.46Å
13L93.2Very high87Confident12 Ų1269.2 Ų69.26%0.06337%0.368CS..  trans-79.6153.8178.9-57176.7000111.6F8 M11 L18 I37 L41 I62 Q66F8-L13 HydrophobicContact CD1-CD1 4.15Å; M11-L13 HydrophobicContact CB-CD1 4.35Å; M11-L13 HydrophobicContact CB-CD2 4.41Å; M11-L13 HydrophobicContact CB-CG 3.99Å; L13-L18 HydrophobicContact CB-CD2 4.01Å; L13-L18 HydrophobicContact CB-CG 4.09Å; L13-L18 HydrophobicContact CD1-CD2 4.09Å; L13-I37 HydrophobicContact CD2-CG2 4.36Å; L13-L41 HydrophobicContact CD2-CD1 3.98Å; L13-I62 HydrophobicContact CD1-CG2 3.77Å; L13-I62 HydrophobicContact CD2-CG2 3.62Å; L13-I62 HydrophobicContact CG-CG2 4.35Å; L13-Q66 HydrophobicContact CD2-CG 4.45Å
14D94Very high89Confident30 Ų3067.2 Ų67.216%0.1634%0.344CS..  trans-60.2139.9172.9-173.1-70.5000111.2R16 L17 L18 L69D14-R16 PolarHBondContact O-N 2.93Å; D14-R16 VanDerWaalsContact O-N 3.1Å; D14-R16 VanDerWaalsContact OD1-CB 3.26Å; D14-R16 WeakPolarHBondContact OD1-CB 3.47Å; D14-R16 WeakPolarHBondContact OD1-CG 3.35Å; D14-R16 IonicContact OD1-CZ 3.7Å; D14-R16 PolarHBondContact OD1-N 3.47Å; D14-R16 IonicContact OD1-NE 2.88Å; D14-R16 PolarHBondContact OD1-NE 2.91Å; D14-R16 IonicContact OD1-NH2 2.91Å; D14-R16 IonicContact OD2-CZ 3.61Å; D14-R16 IonicContact OD2-NE 3.56Å; D14-R16 IonicContact OD2-NH2 2.72Å; D14-R16 PolarHBondContact OD2-NH2 2.96Å; D14-L17 WeakPolarHBondContact O-CA 3.07Å; D14-L17 WeakPolarHBondContact O-CB 3.17Å; D14-L17 PolarHBondContact O-N 3.3Å; D14-L18 PolarHBondContact O-N 3.47Å; D14-L69 HydrophobicContact CB-CD1 4.03Å
15D93Very high90.4Very high132 Ų13261.1 Ų61.171%0.70633%0.332SS*.Hα-helixtrans-55.5-32.1-178.1-68.8-25.5000113L18 K19D15-L18 PolarHBondContact O-N 3.28Å; D15-K19 WeakPolarHBondContact O-CB 3.18Å; D15-K19 PolarHBondContact O-N 3.35Å
16R94.2Very high91.2Very high75 Ų7557.4 Ų57.428%0.28332%0.318SS..Hα-helixtrans-68.3-37.1177.6-64.1169.6-70.3-178.2-5.5111.6D14 A20 F105 C106 D109D14-R16 PolarHBondContact O-N 2.93Å; D14-R16 VanDerWaalsContact O-N 3.1Å; D14-R16 VanDerWaalsContact OD1-CB 3.26Å; D14-R16 WeakPolarHBondContact OD1-CB 3.47Å; D14-R16 WeakPolarHBondContact OD1-CG 3.35Å; D14-R16 IonicContact OD1-CZ 3.7Å; D14-R16 PolarHBondContact OD1-N 3.47Å; D14-R16 IonicContact OD1-NE 2.88Å; D14-R16 PolarHBondContact OD1-NE 2.91Å; D14-R16 IonicContact OD1-NH2 2.91Å; D14-R16 IonicContact OD2-CZ 3.61Å; D14-R16 IonicContact OD2-NE 3.56Å; D14-R16 IonicContact OD2-NH2 2.72Å; D14-R16 PolarHBondContact OD2-NH2 2.96Å; R16-A20 PolarHBondContact O-N 3.44Å; R16-A20 VanDerWaalsContact O-N 3.11Å; R16-F105 HydrophobicContact CB-CB 4.03Å; R16-F105 WeakPolarHBondContact CD-O 3.47Å; R16-C106 HydrophobicContact CB-CB 4.35Å; R16-D109 IonicContact CZ-OD2 3.97Å; R16-D109 IonicContact NH1-OD2 2.63Å; R16-D109 PolarHBondContact NH1-OD2 3.36Å
17L93.2Very high91Very high0 Ų059.8 Ų59.80%034%0.339CS..Hα-helixtrans-68.9-44.5174-82.9175.5000110.9D14 K19 A20 V21 I65 Q66 L69D14-L17 WeakPolarHBondContact O-CA 3.07Å; D14-L17 WeakPolarHBondContact O-CB 3.17Å; D14-L17 PolarHBondContact O-N 3.3Å; L17-K19 VanDerWaalsContact C-N 3.26Å; L17-K19 PolarHBondContact O-N 3.34Å; L17-A20 WeakPolarHBondContact O-CB 3.35Å; L17-A20 PolarHBondContact O-N 3.26Å; L17-A20 VanDerWaalsContact O-N 3.11Å; L17-V21 WeakPolarHBondContact O-CG2 3.47Å; L17-V21 PolarHBondContact O-N 2.92Å; L17-I65 HydrophobicContact CD1-CB 4.23Å; L17-I65 HydrophobicContact CD1-CG2 3.98Å; L17-I65 HydrophobicContact CD2-CB 4.07Å; L17-I65 HydrophobicContact CD2-CD1 4.17Å; L17-I65 HydrophobicContact CD2-CG2 3.63Å; L17-I65 HydrophobicContact CG-CG2 4.05Å; L17-Q66 HydrophobicContact CD1-CB 4.07Å; L17-L69 HydrophobicContact CD1-CD1 4.31Å; L17-L69 HydrophobicContact CG-CD1 4.31Å
18L93.3Very high90.8Very high41 Ų4162.7 Ų62.722%0.21535%0.353CS..Hα-helixtrans-59.3-40176.5-68176.1000111.7F8 H9 L13 D14 D15 V21 A22F8-L18 HydrophobicContact CB-CD2 3.94Å; H9-L18 HydrophobicContact CB-CD1 4.46Å; L13-L18 HydrophobicContact CB-CD2 4.01Å; L13-L18 HydrophobicContact CB-CG 4.09Å; L13-L18 HydrophobicContact CD1-CD2 4.09Å; D14-L18 PolarHBondContact O-N 3.47Å; D15-L18 PolarHBondContact O-N 3.28Å; L18-V21 PolarHBondContact O-N 3.11Å; L18-A22 WeakPolarHBondContact O-CB 3.43Å; L18-A22 PolarHBondContact O-N 3.4Å
19K93.3Very high90.8Very high124 Ų12462.5 Ų62.554%0.53935%0.352SS..Hα-helixtrans-64.5-39.7174.8-166.6175-178.91760112.6D15 L17 A22 D23 F105D15-K19 WeakPolarHBondContact O-CB 3.18Å; D15-K19 PolarHBondContact O-N 3.35Å; L17-K19 VanDerWaalsContact C-N 3.26Å; L17-K19 PolarHBondContact O-N 3.34Å; K19-A22 PolarHBondContact O-N 3.34Å; K19-D23 PolarHBondContact O-N 3.18Å; K19-F105 HydrophobicContact CB-CD2 4.01Å; K19-F105 HydrophobicContact CB-CE2 4.23Å; K19-F105 HydrophobicContact CB-CG 4.37Å; K19-F105 HydrophobicContact CD-CD1 3.8Å; K19-F105 HydrophobicContact CD-CD2 4.27Å; K19-F105 HydrophobicContact CD-CE1 3.75Å; K19-F105 HydrophobicContact CD-CE2 4.23Å; K19-F105 HydrophobicContact CD-CG 4.07Å; K19-F105 HydrophobicContact CD-CZ 3.97Å; K19-F105 HydrophobicContact CG-CD1 4.35Å; K19-F105 HydrophobicContact CG-CD2 3.95Å; K19-F105 HydrophobicContact CG-CE1 4.16Å; K19-F105 HydrophobicContact CG-CE2 3.75Å; K19-F105 HydrophobicContact CG-CG 4.26Å; K19-F105 HydrophobicContact CG-CZ 3.86Å
20A93.8Very high90.8Very high0 Ų058.8 Ų58.80%034%0.339CS..Hα-helixtrans-64-43.6175.100000111.9R16 L17 A22 D23 L24 L102 F105R16-A20 PolarHBondContact O-N 3.44Å; R16-A20 VanDerWaalsContact O-N 3.11Å; L17-A20 WeakPolarHBondContact O-CB 3.35Å; L17-A20 PolarHBondContact O-N 3.26Å; L17-A20 VanDerWaalsContact O-N 3.11Å; A20-A22 VanDerWaalsContact C-N 3.32Å; A20-A22 PolarHBondContact O-N 3.2Å; A20-D23 PolarHBondContact O-N 2.94Å; A20-L24 WeakPolarHBondContact O-CG 3.01Å; A20-L24 PolarHBondContact O-N 2.92Å; A20-L102 VanDerWaalsContact CB-O 3.23Å; A20-L102 WeakPolarHBondContact CB-O 3.39Å; A20-F105 HydrophobicContact CB-CD2 3.93Å; A20-F105 HydrophobicContact CB-CE2 4.43Å
21V92.9Very high90.7Very high5 Ų557.5 Ų57.53%0.0334%0.335CS..Hα-helixtrans-60.7-41.8176.21700000111.1F8 L17 L18 L24 G25 W26 I62 L102F8-V21 HydrophobicContact CD1-CG1 4.39Å; F8-V21 HydrophobicContact CD2-CG1 3.56Å; F8-V21 HydrophobicContact CE1-CG1 4.48Å; F8-V21 HydrophobicContact CE2-CG1 3.66Å; F8-V21 HydrophobicContact CG-CG1 3.94Å; F8-V21 HydrophobicContact CZ-CG1 4.12Å; L17-V21 WeakPolarHBondContact O-CG2 3.47Å; L17-V21 PolarHBondContact O-N 2.92Å; L18-V21 PolarHBondContact O-N 3.11Å; V21-L24 PolarHBondContact O-N 3.43Å; V21-G25 PolarHBondContact O-N 2.84Å; V21-W26 HydrophobicContact CG1-CB 3.84Å; V21-W26 HydrophobicContact CG1-CE3 4.16Å; V21-W26 HydrophobicContact CG2-CE3 4.33Å; V21-W26 PolarHBondContact O-N 3.11Å; V21-I62 HydrophobicContact CG2-CD1 4.44Å; V21-L102 HydrophobicContact CG2-CD2 4.21Å
22A91.4Very high90.6Very high70 Ų7056.9 Ų56.958%0.57933%0.332SS*.Hα-helixtrans-65.6-40.917600000112.8L18 K19 A20 L24 G25L18-A22 WeakPolarHBondContact O-CB 3.43Å; L18-A22 PolarHBondContact O-N 3.4Å; K19-A22 PolarHBondContact O-N 3.34Å; A20-A22 VanDerWaalsContact C-N 3.32Å; A20-A22 PolarHBondContact O-N 3.2Å; A22-L24 VanDerWaalsContact C-N 3.29Å; A22-L24 PolarHBondContact O-N 3Å; A22-G25 WeakPolarHBondContact O-CA 3.47Å; A22-G25 PolarHBondContact O-N 3.35Å
23D92.4Very high90.7Very high124 Ų12454.3 Ų54.366%0.66330%0.304SS*.Hα-helixtrans-67.3-30.4177.8-162.453.9000112.4K19 A20 G25 F105K19-D23 PolarHBondContact O-N 3.18Å; A20-D23 PolarHBondContact O-N 2.94Å; D23-G25 PolarHBondContact O-N 3.1Å; D23-F105 HydrophobicContact CB-CE2 4.13Å
24L89.1Confident90.7Very high47 Ų4754.6 Ų54.625%0.24631%0.305CS..THydrogen-bonded Turntrans-73.2-4.7170.8-70.5170.1000113.5A20 V21 A22 W26 Q101 L102A20-L24 WeakPolarHBondContact O-CG 3.01Å; A20-L24 PolarHBondContact O-N 2.92Å; V21-L24 PolarHBondContact O-N 3.43Å; A22-L24 VanDerWaalsContact C-N 3.29Å; A22-L24 PolarHBondContact O-N 3Å; L24-W26 VanDerWaalsContact C-N 3.34Å; L24-W26 HydrophobicContact CB-CD2 4.23Å; L24-W26 HydrophobicContact CB-CG 4.28Å; L24-W26 HydrophobicContact CB-CZ2 4.49Å; L24-W26 HydrophobicContact CD1-CH2 3.98Å; L24-W26 HydrophobicContact CD1-CZ2 3.92Å; L24-W26 HydrophobicContact CD1-CZ3 4.36Å; L24-Q101 HydrophobicContact CD1-CB 4.2Å; L24-Q101 HydrophobicContact CD2-CB 3.82Å; L24-Q101 HydrophobicContact CD2-CG 4.17Å; L24-Q101 HydrophobicContact CG-CB 4.48Å; L24-L102 HydrophobicContact CD1-CD2 3.86Å; L24-L102 HydrophobicContact CD1-CG 4.39Å
25G88.1Confident90.5Very high60 Ų6057.5 Ų57.562%0.61932%0.316SS*.THydrogen-bonded Turntrans75.218.317900000114.2V21 A22 D23 S27V21-G25 PolarHBondContact O-N 2.84Å; A22-G25 WeakPolarHBondContact O-CA 3.47Å; A22-G25 PolarHBondContact O-N 3.35Å; D23-G25 PolarHBondContact O-N 3.1Å; G25-S27 PolarHBondContact O-N 3.26Å; G25-S27 VanDerWaalsContact O-N 3.14Å
26W88.6Confident90.6Very high67 Ų6751.2 Ų51.225%0.25428%0.283SS..  trans-83.692.4-178.5-63.3-4.1000110.7F8 V21 L24 Q28 A58 M98 L102F8-W26 HydrophobicContact CE2-CB 4.19Å; F8-W26 HydrophobicContact CZ-CE3 4.15Å; V21-W26 HydrophobicContact CG1-CB 3.84Å; V21-W26 HydrophobicContact CG1-CE3 4.16Å; V21-W26 HydrophobicContact CG2-CE3 4.33Å; V21-W26 PolarHBondContact O-N 3.11Å; L24-W26 VanDerWaalsContact C-N 3.34Å; L24-W26 HydrophobicContact CB-CD2 4.23Å; L24-W26 HydrophobicContact CB-CG 4.28Å; L24-W26 HydrophobicContact CB-CZ2 4.49Å; L24-W26 HydrophobicContact CD1-CH2 3.98Å; L24-W26 HydrophobicContact CD1-CZ2 3.92Å; L24-W26 HydrophobicContact CD1-CZ3 4.36Å; W26-Q28 VanDerWaalsContact C-N 3.35Å; W26-A58 HydrophobicContact CH2-CB 3.58Å; W26-A58 HydrophobicContact CZ3-CB 3.6Å; W26-M98 HydrophobicContact CH2-CE 4.3Å; W26-M98 HydrophobicContact CH2-SD 3.65Å; W26-M98 HydrophobicContact CZ2-CE 4.05Å; W26-M98 HydrophobicContact CZ2-SD 3.87Å; W26-L102 HydrophobicContact CH2-CD2 4.16Å; W26-L102 HydrophobicContact CZ3-CD2 3.92Å
27S81.9Confident90.6Very high107 Ų10747.7 Ų47.775%0.74827%0.27SS*.  trans-69.9-30.4-179.858.80000113.6G25G25-S27 PolarHBondContact O-N 3.26Å; G25-S27 VanDerWaalsContact O-N 3.14Å
28Q86.4Confident90.7Very high99 Ų9949.3 Ų49.346%0.46328%0.281SS..SBendtrans-142.5146.6-179.4-65-169-5.900110.8W26W26-Q28 VanDerWaalsContact C-N 3.35Å
29P90.2Very high90.7Very high6 Ų648.9 Ų48.94%0.03928%0.278CS..  trans-68.5144.9173.726.1-30000111.1L6 F8 M11 Q33 E34L6-P29 WeakPolarHBondContact O-CG 3.47Å; F8-P29 HydrophobicContact CD1-CB 4.39Å; F8-P29 HydrophobicContact CD2-CB 4.24Å; F8-P29 HydrophobicContact CD2-CG 4.44Å; F8-P29 HydrophobicContact CE1-CB 3.95Å; F8-P29 VanDerWaalsContact CE2-CA 3.49Å; F8-P29 HydrophobicContact CE2-CB 3.79Å; F8-P29 HydrophobicContact CE2-CG 4.41Å; F8-P29 HydrophobicContact CZ-CB 3.64Å; M11-P29 HydrophobicContact CE-CB 3.97Å; M11-P29 HydrophobicContact CE-CG 3.78Å; P29-Q33 HydrophobicContact CB-CB 3.95Å; P29-E34 HydrophobicContact CB-CB 4.47Å; P29-E34 HydrophobicContact CG-CB 4.41Å
30T88.1Confident90.8Very high51 Ų5143 Ų4331%0.31325%0.253SS..  trans-68.9160.5169.571.80000110.4I32 Q33 E34 S54T30-I32 PolarHBondContact O-N 3.42Å; T30-I32 VanDerWaalsContact O-N 3.1Å; T30-I32 VanDerWaalsContact OG1-CG2 3.27Å; T30-I32 WeakPolarHBondContact OG1-CG2 3.23Å; T30-Q33 WeakPolarHBondContact O-CA 3.37Å; T30-Q33 WeakPolarHBondContact O-CB 3.31Å; T30-Q33 PolarHBondContact O-N 3.12Å; T30-Q33 VanDerWaalsContact OG1-CG 3.3Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.43Å; T30-Q33 PolarHBondContact OG1-N 3.11Å; T30-E34 PolarHBondContact O-N 2.93Å; T30-S54 VanDerWaalsContact CB-O 3.29Å; T30-S54 WeakPolarHBondContact CB-O 3.5Å; T30-S54 WeakPolarHBondContact CG2-O 3.41Å; T30-S54 PolarHBondContact OG1-O 3.12Å
31L86.6Confident90.9Very high82 Ų8245.3 Ų45.343%0.42927%0.265SS..Hα-helixtrans-54.1-36.3-178.9-171.273.5000112.9K35 L217L31-K35 WeakPolarHBondContact O-CG 3.39Å; L31-K35 PolarHBondContact O-N 2.78Å; L31-L217 HydrophobicContact CD2-CB 4.26Å; L31-L217 HydrophobicContact CD2-CD2 3.98Å; L31-L217 HydrophobicContact CG-CD1 4.5Å; L31-L217 HydrophobicContact CG-CD2 4.02Å
32I89.3Confident90.9Very high3 Ų350.9 Ų50.92%0.01529%0.29CS..Hα-helixtrans-71.3-39.5176.2-177.659.2000112.3T30 A36 A48 A50 S54 A59 M193 L215 L217T30-I32 PolarHBondContact O-N 3.42Å; T30-I32 VanDerWaalsContact O-N 3.1Å; T30-I32 VanDerWaalsContact OG1-CG2 3.27Å; T30-I32 WeakPolarHBondContact OG1-CG2 3.23Å; I32-A36 HydrophobicContact CD1-CB 4.02Å; I32-A36 HydrophobicContact CG1-CB 4.49Å; I32-A36 WeakPolarHBondContact O-CB 3.27Å; I32-A36 PolarHBondContact O-N 2.92Å; I32-A48 HydrophobicContact CD1-CB 3.66Å; I32-A50 HydrophobicContact CB-CB 4.41Å; I32-A50 HydrophobicContact CG1-CB 4.32Å; I32-S54 WeakPolarHBondContact CG2-O 3.35Å; I32-A59 HydrophobicContact CG1-CB 4.05Å; I32-M193 HydrophobicContact CD1-CE 4.43Å; I32-M193 HydrophobicContact CG1-CE 4.25Å; I32-L215 HydrophobicContact CD1-CD1 4.32Å; I32-L217 HydrophobicContact CB-CD1 3.43Å; I32-L217 VanDerWaalsContact CB-CD1 3.43Å; I32-L217 HydrophobicContact CD1-CD1 3.38Å; I32-L217 HydrophobicContact CD1-CG 4.49Å; I32-L217 HydrophobicContact CG1-CD1 3.94Å
33Q92.6Very high91Very high6 Ų649 Ų493%0.02828%0.278CS..Hα-helixtrans-65.8-46.5176.6-67.5161.93.600110.7P29 T30 K35 A36 I37 G55 A58 A59P29-Q33 HydrophobicContact CB-CB 3.95Å; T30-Q33 WeakPolarHBondContact O-CA 3.37Å; T30-Q33 WeakPolarHBondContact O-CB 3.31Å; T30-Q33 PolarHBondContact O-N 3.12Å; T30-Q33 VanDerWaalsContact OG1-CG 3.3Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.43Å; T30-Q33 PolarHBondContact OG1-N 3.11Å; Q33-K35 VanDerWaalsContact C-N 3.31Å; Q33-K35 PolarHBondContact O-N 3.38Å; Q33-A36 PolarHBondContact O-N 3.43Å; Q33-I37 HydrophobicContact CB-CD1 3.73Å; Q33-I37 HydrophobicContact CB-CG1 4.45Å; Q33-I37 HydrophobicContact CG-CD1 4.33Å; Q33-I37 VanDerWaalsContact O-CB 3.27Å; Q33-I37 WeakPolarHBondContact O-CB 3.38Å; Q33-I37 WeakPolarHBondContact O-CD1 2.87Å; Q33-I37 WeakPolarHBondContact O-CG1 3.43Å; Q33-I37 PolarHBondContact O-N 2.96Å; Q33-G55 PolarHBondContact NE2-O 2.71Å; Q33-A58 HydrophobicContact CG-CB 4.42Å; Q33-A59 HydrophobicContact CG-CB 4.06Å
34E91.7Very high91.1Very high18 Ų1847.2 Ų47.28%0.08426%0.264CS..Hα-helixtrans-55.6-43.6179.1-170-153.5128.700112.2L6 P29 T30 P38L6-E34 HydrophobicContact CB-CG 3.91Å; P29-E34 HydrophobicContact CB-CB 4.47Å; P29-E34 HydrophobicContact CG-CB 4.41Å; T30-E34 PolarHBondContact O-N 2.93Å; E34-P38 WeakPolarHBondContact O-CD 3.46Å; E34-P38 WeakPolarHBondContact O-CG 3.33Å
35K91.2Very high91.4Very high90 Ų9045.6 Ų45.639%0.39126%0.255SS..Hα-helixtrans-85.3-39.5-178.7-62-53.2-175.2-150.20113.3L31 Q33 L39 L215 L217L31-K35 WeakPolarHBondContact O-CG 3.39Å; L31-K35 PolarHBondContact O-N 2.78Å; Q33-K35 VanDerWaalsContact C-N 3.31Å; Q33-K35 PolarHBondContact O-N 3.38Å; K35-L39 VanDerWaalsContact O-CD1 3.31Å; K35-L39 WeakPolarHBondContact O-CD1 3.35Å; K35-L39 WeakPolarHBondContact O-CG 3.26Å; K35-L215 HydrophobicContact CB-CD1 4.34Å; K35-L215 HydrophobicContact CB-CD2 4.38Å; K35-L217 HydrophobicContact CG-CD2 4.17Å
36A93.6Very high91.7Very high1 Ų142.8 Ų42.81%0.00823%0.226CC..Hα-helixtrans-79.5-39.7-173.200000112.9I32 Q33 L39 A40 L46 A59 L215I32-A36 HydrophobicContact CD1-CB 4.02Å; I32-A36 HydrophobicContact CG1-CB 4.49Å; I32-A36 WeakPolarHBondContact O-CB 3.27Å; I32-A36 PolarHBondContact O-N 2.92Å; Q33-A36 PolarHBondContact O-N 3.43Å; A36-L39 PolarHBondContact O-N 3.19Å; A36-A40 VanDerWaalsContact O-CB 3.27Å; A36-A40 WeakPolarHBondContact O-CB 3.34Å; A36-A40 PolarHBondContact O-N 3.24Å; A36-L46 HydrophobicContact CB-CD1 3.98Å; A36-L46 WeakPolarHBondContact O-CD1 3.3Å; A36-A59 HydrophobicContact CB-CB 4.16Å; A36-L215 HydrophobicContact CB-CD1 3.78Å
37I95.6Very high92Very high0 Ų039.8 Ų39.80%022%0.215CC..Hα-helixtrans-60.8-50.6-173.3-65.3168.6000111.4F8 M11 L13 Q33 L39 A40 L41 I62F8-I37 HydrophobicContact CE1-CD1 4.01Å; M11-I37 HydrophobicContact SD-CB 4.05Å; M11-I37 HydrophobicContact SD-CD1 4.1Å; M11-I37 HydrophobicContact SD-CG2 3.83Å; L13-I37 HydrophobicContact CD2-CG2 4.36Å; Q33-I37 HydrophobicContact CB-CD1 3.73Å; Q33-I37 HydrophobicContact CB-CG1 4.45Å; Q33-I37 HydrophobicContact CG-CD1 4.33Å; Q33-I37 VanDerWaalsContact O-CB 3.27Å; Q33-I37 WeakPolarHBondContact O-CB 3.38Å; Q33-I37 WeakPolarHBondContact O-CD1 2.87Å; Q33-I37 WeakPolarHBondContact O-CG1 3.43Å; Q33-I37 PolarHBondContact O-N 2.96Å; I37-L39 PolarHBondContact O-N 3.43Å; I37-A40 WeakPolarHBondContact O-CB 3.32Å; I37-A40 PolarHBondContact O-N 3.37Å; I37-L41 HydrophobicContact CG2-CD1 3.97Å; I37-L41 HydrophobicContact CG2-CG 4.34Å; I37-L41 WeakPolarHBondContact O-CG 3.33Å; I37-L41 PolarHBondContact O-N 3.45Å; I37-I62 HydrophobicContact CD1-CB 4.27Å; I37-I62 HydrophobicContact CD1-CD1 3.77Å; I37-I62 HydrophobicContact CD1-CG2 4.29Å; I37-I62 HydrophobicContact CG2-CG2 4.19Å
38P94.6Very high92.4Very high35 Ų3534.7 Ų34.723%0.22718%0.18CC..Hα-helixtrans-60.7-43.7179.7-24.335.7000112.7L6 E34 A40 L41 E42L6-P38 HydrophobicContact CD2-CG 3.69Å; E34-P38 WeakPolarHBondContact O-CD 3.46Å; E34-P38 WeakPolarHBondContact O-CG 3.33Å; P38-A40 VanDerWaalsContact C-N 3.32Å; P38-A40 PolarHBondContact O-N 3.46Å; P38-L41 PolarHBondContact O-N 3.38Å; P38-E42 WeakPolarHBondContact O-CG 3.41Å; P38-E42 PolarHBondContact O-N 2.91Å
39L94.2Very high92.4Very high32 Ų3234.2 Ų34.217%0.16817%0.174CC..Hα-helixtrans-65.3-35.9178.7-63.4173.9000112.4K35 A36 I37 G43 K44 L46 V213 L215K35-L39 VanDerWaalsContact O-CD1 3.31Å; K35-L39 WeakPolarHBondContact O-CD1 3.35Å; K35-L39 WeakPolarHBondContact O-CG 3.26Å; A36-L39 PolarHBondContact O-N 3.19Å; I37-L39 PolarHBondContact O-N 3.43Å; L39-G43 PolarHBondContact O-N 2.91Å; L39-K44 HydrophobicContact CD2-CD 4.04Å; L39-K44 PolarHBondContact O-N 2.93Å; L39-L46 HydrophobicContact CB-CD2 3.8Å; L39-L46 HydrophobicContact CD1-CD2 4.31Å; L39-V213 HydrophobicContact CD1-CB 4.46Å; L39-V213 HydrophobicContact CD1-CG1 3.89Å; L39-L215 HydrophobicContact CD1-CD1 4.26Å; L39-L215 HydrophobicContact CD1-CD2 3.86Å; L39-L215 HydrophobicContact CD1-CG 4.43Å
40A95.1Very high91.9Very high0 Ų034.4 Ų34.40%018%0.176CC..Hα-helixtrans-66.3-42.1174.700000111.4A36 I37 P38 E42 G43 L46 P63 Q189 F191A36-A40 VanDerWaalsContact O-CB 3.27Å; A36-A40 WeakPolarHBondContact O-CB 3.34Å; A36-A40 PolarHBondContact O-N 3.24Å; I37-A40 WeakPolarHBondContact O-CB 3.32Å; I37-A40 PolarHBondContact O-N 3.37Å; P38-A40 VanDerWaalsContact C-N 3.32Å; P38-A40 PolarHBondContact O-N 3.46Å; A40-E42 VanDerWaalsContact C-N 3.33Å; A40-E42 PolarHBondContact O-N 3.07Å; A40-G43 WeakPolarHBondContact O-CA 3.37Å; A40-G43 PolarHBondContact O-N 2.72Å; A40-L46 HydrophobicContact CB-CD1 3.91Å; A40-P63 HydrophobicContact CB-CB 3.55Å; A40-P63 HydrophobicContact CB-CG 3.54Å; A40-Q189 PolarHBondContact O-NE2 2.88Å; A40-F191 HydrophobicContact CB-CE1 3.53Å; A40-F191 HydrophobicContact CB-CZ 3.9Å
41L94.3Very high91.1Very high48 Ų4836.6 Ų36.625%0.25118%0.178SC..Hα-helixtrans-64.5-36.8177.4-67.9174.9000112L13 I37 P38 G43 P63 Q66L13-L41 HydrophobicContact CD2-CD1 3.98Å; I37-L41 HydrophobicContact CG2-CD1 3.97Å; I37-L41 HydrophobicContact CG2-CG 4.34Å; I37-L41 WeakPolarHBondContact O-CG 3.33Å; I37-L41 PolarHBondContact O-N 3.45Å; P38-L41 PolarHBondContact O-N 3.38Å; L41-G43 PolarHBondContact O-N 2.95Å; L41-G43 VanDerWaalsContact O-N 3.15Å; L41-P63 HydrophobicContact CD2-CB 3.89Å; L41-P63 HydrophobicContact CG-CB 4.26Å; L41-Q66 HydrophobicContact CD2-CB 3.9Å; L41-Q66 HydrophobicContact CD2-CG 3.66Å
42E94.1Very high90.4Very high123 Ų12335 Ų3558%0.57517%0.172SC*.THydrogen-bonded Turntrans-63.7-12.8171-70.9173.5-169.200113.8P38 A40 K44P38-E42 WeakPolarHBondContact O-CG 3.41Å; P38-E42 PolarHBondContact O-N 2.91Å; A40-E42 VanDerWaalsContact C-N 3.33Å; A40-E42 PolarHBondContact O-N 3.07Å; E42-K44 WeakPolarHBondContact OE2-CE 3.45Å; E42-K44 IonicContact OE2-NZ 3.64Å; E42-K44 PolarHBondContact OE2-NZ 3.39Å
43G92.9Very high89.4Confident30 Ų3037.2 Ų37.231%0.30920%0.195SC..THydrogen-bonded Turntrans86.119.2178.300000115.9L39 A40 L41 Q189L39-G43 PolarHBondContact O-N 2.91Å; A40-G43 WeakPolarHBondContact O-CA 3.37Å; A40-G43 PolarHBondContact O-N 2.72Å; L41-G43 PolarHBondContact O-N 2.95Å; L41-G43 VanDerWaalsContact O-N 3.15Å; G43-Q189 VanDerWaalsContact C-NE2 3.33Å
44K94.4Very high88.5Confident87 Ų8738 Ų3838%0.37820%0.201SC..  trans-79.7141.4174.7-63.9173.6176.7159.40110.7L39 E42 Q189 V213L39-K44 HydrophobicContact CD2-CD 4.04Å; L39-K44 PolarHBondContact O-N 2.93Å; E42-K44 WeakPolarHBondContact OE2-CE 3.45Å; E42-K44 IonicContact OE2-NZ 3.64Å; E42-K44 PolarHBondContact OE2-NZ 3.39Å; K44-Q189 PolarHBondContact O-NE2 3.42Å; K44-V213 HydrophobicContact CB-CG2 4.15Å; K44-V213 HydrophobicContact CD-CG2 3.76Å; K44-V213 HydrophobicContact CG-CG2 4.46Å
45D96.1Very high88.1Confident12 Ų1238.2 Ų38.26%0.06421%0.209CC..  trans-66.8140.5167-79.78.1000110Q189 S190 L209 H210 P212 V213D45-Q189 WeakPolarHBondContact OD1-CA 3.35Å; D45-S190 VanDerWaalsContact CA-O 3.3Å; D45-S190 WeakPolarHBondContact CA-O 3.46Å; D45-S190 PolarHBondContact OD1-N 3.19Å; D45-L209 HydrophobicContact CB-CD2 4.3Å; D45-H210 PolarHBondContact OD2-N 3.16Å; D45-P212 HydrophobicContact CB-CB 4.01Å; D45-P212 CarbonylContact O-C 3.55Å; D45-P212 VanDerWaalsContact O-CA 3.28Å; D45-P212 WeakPolarHBondContact O-CA 3.39Å; D45-V213 PolarHBondContact O-N 3.03Å
46L94.8Very high88.1Confident2 Ų234.3 Ų34.31%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-122.6134.6-176.4-55.4-178.9000111.8A36 L39 A40 S190 F191 L192 V213A36-L46 HydrophobicContact CB-CD1 3.98Å; A36-L46 WeakPolarHBondContact O-CD1 3.3Å; L39-L46 HydrophobicContact CB-CD2 3.8Å; L39-L46 HydrophobicContact CD1-CD2 4.31Å; A40-L46 HydrophobicContact CB-CD1 3.91Å; L46-S190 PolarHBondContact N-O 2.94Å; L46-F191 HydrophobicContact CB-CD1 3.9Å; L46-F191 HydrophobicContact CB-CE1 4.47Å; L46-F191 HydrophobicContact CD1-CD1 3.83Å; L46-F191 HydrophobicContact CD1-CE1 3.77Å; L46-F191 HydrophobicContact CG-CD1 3.91Å; L46-F191 HydrophobicContact CG-CE1 3.98Å; L46-F191 WeakPolarHBondContact O-CA 3.22Å; L46-L192 PolarHBondContact O-N 3.41Å; L46-V213 HydrophobicContact CD2-CB 3.98Å
47L93.8Very high88Confident3 Ų335.9 Ų35.92%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-114.4102.8162177.556.9000108.2L192 F197 V201 K205 L209 V213 T214 L215L47-L192 WeakPolarHBondContact CA-O 3.26Å; L47-L192 HydrophobicContact CD1-CB 3.51Å; L47-L192 HydrophobicContact CD1-CD1 4.28Å; L47-F197 HydrophobicContact CD2-CE2 3.56Å; L47-F197 HydrophobicContact CD2-CZ 4.17Å; L47-F197 HydrophobicContact CG-CE2 4.29Å; L47-V201 HydrophobicContact CD1-CG1 4.02Å; L47-K205 HydrophobicContact CD2-CB 4.09Å; L47-K205 HydrophobicContact CD2-CD 3.61Å; L47-K205 HydrophobicContact CD2-CG 3.86Å; L47-L209 HydrophobicContact CB-CD1 3.75Å; L47-V213 PolarHBondContact N-O 3.33Å; L47-T214 HydrophobicContact CB-CG2 4.39Å; L47-T214 HydrophobicContact CD2-CG2 4.16Å; L47-T214 HydrophobicContact CG-CG2 4.23Å; L47-T214 CarbonylContact O-C 3.54Å; L47-T214 WeakPolarHBondContact O-CA 3.36Å; L47-L215 PolarHBondContact O-N 3.37Å
48A90.9Very high87.9Confident0 Ų036 Ų360%020%0.202CC..EExtended strand (participates in β ladder)trans-107.3121.8-177.500000111.6I32 L192 M193 S194 L215I32-A48 HydrophobicContact CD1-CB 3.66Å; A48-L192 PolarHBondContact N-O 3.31Å; A48-M193 HydrophobicContact CB-CE 3.65Å; A48-M193 HydrophobicContact CB-SD 3.65Å; A48-S194 PolarHBondContact O-N 3.05Å; A48-L215 HydrophobicContact CB-CB 4.36Å
49R86.9Confident87.9Confident90 Ų9034.4 Ų34.434%0.3419%0.192SC..EExtended strand (participates in β ladder)trans-96.9114.4168.3-172.8-175.7177.3-177-4.9109.4S194 A195 L215R49-S194 VanDerWaalsContact CA-O 3.29Å; R49-S194 WeakPolarHBondContact CA-O 3.31Å; R49-A195 WeakPolarHBondContact CG-O 3.44Å; R49-A195 PolarHBondContact NE-O 3.41Å; R49-L215 PolarHBondContact N-O 3.07Å
50A80Confident88Confident10 Ų1032.9 Ų32.98%0.08318%0.184CC..  trans-152.5147.9175.100000111.9I32 S54 K56 S194 A195I32-A50 HydrophobicContact CB-CB 4.41Å; I32-A50 HydrophobicContact CG1-CB 4.32Å; A50-S54 WeakPolarHBondContact CB-OG 3.37Å; A50-K56 HydrophobicContact CB-CD 4.15Å; A50-K56 HydrophobicContact CB-CG 3.97Å; A50-K56 WeakPolarHBondContact O-CD 3.39Å; A50-K56 PolarHBondContact O-NZ 2.73Å; A50-S194 PolarHBondContact N-O 2.72Å; A50-A195 WeakPolarHBondContact O-CA 3.48Å
51R71.3Confident88Confident96 Ų9632.9 Ų32.936%0.36218%0.184SC..  trans-62.4155.4179.769.5178.1-171.1-153.86.3112.3S54 L222 P223R51-S54 VanDerWaalsContact O-CB 3.25Å; R51-S54 WeakPolarHBondContact O-CB 3.49Å; R51-S54 PolarHBondContact O-N 2.65Å; R51-S54 PolarHBondContact O-OG 3.19Å; R51-L222 PolarHBondContact NH1-O 3.32Å; R51-P223 VanDerWaalsContact NH1-CA 3.31Å
52T70.6Confident88.1Confident48 Ų4830.6 Ų30.629%0.29417%0.173SC..THydrogen-bonded Turntrans-59.1141.2169.8-480000110S54 E164T52-S54 VanDerWaalsContact C-N 3.29Å; T52-S54 PolarHBondContact O-N 3.42Å; T52-E164 PolarHBondContact OG1-OE1 3.21Å
53G67.8Low88.2Confident50 Ų5024.8 Ų24.852%0.51515%0.145SC..THydrogen-bonded Turntrans78.72.1-175.100000115.5G55G53-G55 PolarHBondContact O-N 3.39Å
54S74.8Confident88.4Confident22 Ų2223.3 Ų23.315%0.15413%0.13CC..SBendtrans-76.8-1.817459.30000114.6T30 I32 A50 R51 T52 K56T30-S54 VanDerWaalsContact CB-O 3.29Å; T30-S54 WeakPolarHBondContact CB-O 3.5Å; T30-S54 WeakPolarHBondContact CG2-O 3.41Å; T30-S54 PolarHBondContact OG1-O 3.12Å; I32-S54 WeakPolarHBondContact CG2-O 3.35Å; A50-S54 WeakPolarHBondContact CB-OG 3.37Å; R51-S54 VanDerWaalsContact O-CB 3.25Å; R51-S54 WeakPolarHBondContact O-CB 3.49Å; R51-S54 PolarHBondContact O-N 2.65Å; R51-S54 PolarHBondContact O-OG 3.19Å; T52-S54 VanDerWaalsContact C-N 3.29Å; T52-S54 PolarHBondContact O-N 3.42Å; S54-K56 WeakPolarHBondContact OG-CG 3.47Å
55G84.1Confident88.5Confident24 Ų2419.2 Ų19.225%0.24711%0.112CC..SBendtrans88.821.9-176.500000114.9Q33 G53 T57 A58 A59Q33-G55 PolarHBondContact NE2-O 2.71Å; G53-G55 PolarHBondContact O-N 3.39Å; G55-T57 VanDerWaalsContact C-N 3.29Å; G55-T57 PolarHBondContact O-N 2.87Å; G55-A58 PolarHBondContact O-N 3.35Å; G55-A59 PolarHBondContact O-N 3.48Å
56K89.6Confident88.4Confident8 Ų820.2 Ų20.24%0.03512%0.117CC..Hα-helixtrans-49.4-45.7176.7-66.9-176.1-68.1-1640113.2A50 S54 A58 A59 Y60 E164 M193A50-K56 HydrophobicContact CB-CD 4.15Å; A50-K56 HydrophobicContact CB-CG 3.97Å; A50-K56 WeakPolarHBondContact O-CD 3.39Å; A50-K56 PolarHBondContact O-NZ 2.73Å; S54-K56 WeakPolarHBondContact OG-CG 3.47Å; K56-A58 PolarHBondContact O-N 2.89Å; K56-A59 VanDerWaalsContact O-CB 3.31Å; K56-A59 WeakPolarHBondContact O-CB 3.47Å; K56-A59 PolarHBondContact O-N 3.06Å; K56-A59 VanDerWaalsContact O-N 3.07Å; K56-Y60 WeakPolarHBondContact O-CD1 3.36Å; K56-Y60 PolarHBondContact O-N 2.99Å; K56-E164 IonicContact NZ-OE1 2.83Å; K56-E164 PolarHBondContact NZ-OE1 3.46Å; K56-E164 IonicContact NZ-OE2 3.62Å; K56-E164 PolarHBondContact NZ-OE2 2.97Å; K56-M193 HydrophobicContact CB-CE 3.7Å; K56-M193 HydrophobicContact CD-CB 4.47Å; K56-M193 HydrophobicContact CD-CE 4.44Å; K56-M193 HydrophobicContact CG-CE 3.9Å
57T92.6Very high88.4Confident33 Ų3323.3 Ų23.320%0.20213%0.128CC..Hα-helixtrans-57.7-48.3-178.3-50.40000111.8G55 A59 Y60 A61 V95 M98G55-T57 VanDerWaalsContact C-N 3.29Å; G55-T57 PolarHBondContact O-N 2.87Å; T57-A59 VanDerWaalsContact C-N 3.28Å; T57-A59 PolarHBondContact O-N 3.48Å; T57-Y60 VanDerWaalsContact CA-CE1 3.46Å; T57-Y60 HydrophobicContact CG2-CE2 4.4Å; T57-Y60 PolarHBondContact O-N 3.08Å; T57-A61 WeakPolarHBondContact O-CB 3.47Å; T57-A61 PolarHBondContact O-N 3.45Å; T57-V95 HydrophobicContact CG2-CG1 4.47Å; T57-V95 HydrophobicContact CG2-CG2 4.16Å; T57-M98 HydrophobicContact CG2-CB 3.92Å; T57-M98 HydrophobicContact CG2-CG 3.7Å
58A93.1Very high88.4Confident2 Ų223.2 Ų23.22%0.01713%0.128CC..Hα-helixtrans-65.3-32.6177.300000112.6W26 Q33 G55 K56 Y60 A61 I62W26-A58 HydrophobicContact CH2-CB 3.58Å; W26-A58 HydrophobicContact CZ3-CB 3.6Å; Q33-A58 HydrophobicContact CG-CB 4.42Å; G55-A58 PolarHBondContact O-N 3.35Å; K56-A58 PolarHBondContact O-N 2.89Å; A58-Y60 VanDerWaalsContact C-N 3.3Å; A58-Y60 PolarHBondContact O-N 3.14Å; A58-A61 PolarHBondContact O-N 3.3Å; A58-I62 HydrophobicContact CB-CD1 4.36Å; A58-I62 WeakPolarHBondContact O-CB 3.45Å; A58-I62 WeakPolarHBondContact O-CG1 3.37Å; A58-I62 PolarHBondContact O-N 3.45Å
59A94.4Very high88.5Confident2 Ų223.4 Ų23.42%0.01713%0.129CC..Hα-helixtrans-63.4-31.6-178.100000113.4I32 Q33 A36 G55 K56 T57 P63 M193I32-A59 HydrophobicContact CG1-CB 4.05Å; Q33-A59 HydrophobicContact CG-CB 4.06Å; A36-A59 HydrophobicContact CB-CB 4.16Å; G55-A59 PolarHBondContact O-N 3.48Å; K56-A59 VanDerWaalsContact O-CB 3.31Å; K56-A59 WeakPolarHBondContact O-CB 3.47Å; K56-A59 PolarHBondContact O-N 3.06Å; K56-A59 VanDerWaalsContact O-N 3.07Å; T57-A59 VanDerWaalsContact C-N 3.28Å; T57-A59 PolarHBondContact O-N 3.48Å; A59-P63 VanDerWaalsContact O-CD 3.25Å; A59-P63 WeakPolarHBondContact O-CD 3.3Å; A59-P63 VanDerWaalsContact O-CG 3.28Å; A59-P63 WeakPolarHBondContact O-CG 3.4Å; A59-M193 HydrophobicContact CB-CE 4.49Å
60Y95.7Very high88.7Confident1 Ų121.4 Ų21.40%0.00413%0.132CC..Hα-helixtrans-98-29.5170.464.7-106.2000113.2K56 T57 A58 P63 I64 I84 V95 V161 D163 M193K56-Y60 WeakPolarHBondContact O-CD1 3.36Å; K56-Y60 PolarHBondContact O-N 2.99Å; T57-Y60 VanDerWaalsContact CA-CE1 3.46Å; T57-Y60 HydrophobicContact CG2-CE2 4.4Å; T57-Y60 PolarHBondContact O-N 3.08Å; A58-Y60 VanDerWaalsContact C-N 3.3Å; A58-Y60 PolarHBondContact O-N 3.14Å; Y60-P63 VanDerWaalsContact O-CD 3.32Å; Y60-P63 WeakPolarHBondContact O-CD 3.49Å; Y60-P63 VanDerWaalsContact O-CG 3.31Å; Y60-P63 WeakPolarHBondContact O-CG 3.23Å; Y60-I64 HydrophobicContact CD2-CD1 3.94Å; Y60-I64 WeakPolarHBondContact O-CB 3.47Å; Y60-I64 VanDerWaalsContact O-CD1 3.27Å; Y60-I64 WeakPolarHBondContact O-CD1 3.49Å; Y60-I64 WeakPolarHBondContact O-CG1 3.45Å; Y60-I64 PolarHBondContact O-N 3.42Å; Y60-I84 HydrophobicContact CD2-CD1 4.49Å; Y60-I84 HydrophobicContact CE2-CD1 3.96Å; Y60-I84 HydrophobicContact CE2-CG1 4.43Å; Y60-I84 HydrophobicContact CE2-CG2 4.3Å; Y60-V95 HydrophobicContact CE2-CG1 4.47Å; Y60-V95 WeakPolarHBondContact OH-CG2 3.45Å; Y60-V161 HydrophobicContact CD1-CG1 3.95Å; Y60-V161 HydrophobicContact CD2-CG1 3.97Å; Y60-V161 HydrophobicContact CD2-CG2 3.94Å; Y60-V161 HydrophobicContact CE1-CG1 4.02Å; Y60-V161 HydrophobicContact CE2-CG1 4.12Å; Y60-V161 HydrophobicContact CG-CG1 3.9Å; Y60-V161 HydrophobicContact CG-CG2 4.18Å; Y60-D163 HydrophobicContact CE1-CB 4.31Å; Y60-D163 WeakPolarHBondContact CE1-OD2 3.5Å; Y60-D163 PolarHBondContact OH-OD2 2.88Å; Y60-M193 HydrophobicContact CD1-CG 3.69Å; Y60-M193 HydrophobicContact CD1-SD 4.34Å; Y60-M193 HydrophobicContact CE1-CG 4.07Å
61A96.4Very high89.1Confident0 Ų022 Ų220%014%0.135CC..Hα-helixtrans-63.2-46.1-178.900000112.6T57 A58 I64 I65 M99 L102T57-A61 WeakPolarHBondContact O-CB 3.47Å; T57-A61 PolarHBondContact O-N 3.45Å; A58-A61 PolarHBondContact O-N 3.3Å; A61-I64 PolarHBondContact O-N 3.02Å; A61-I65 WeakPolarHBondContact O-CD1 3.41Å; A61-I65 VanDerWaalsContact O-CG1 3.26Å; A61-I65 WeakPolarHBondContact O-CG1 3.43Å; A61-I65 PolarHBondContact O-N 3.46Å; A61-M99 HydrophobicContact CB-CG 4.49Å; A61-M99 HydrophobicContact CB-SD 3.27Å; A61-M99 WeakPolarHBondContact CB-SD 3.26Å; A61-L102 HydrophobicContact CB-CD1 3.59Å
62I96.2Very high89.9Confident0 Ų019.7 Ų19.70%013%0.128CC..Hα-helixtrans-58.3-54-179.8-68.9169.7000111.6F8 L13 V21 I37 A58 I64 I65 Q66 L102F8-I62 HydrophobicContact CD1-CD1 4.41Å; F8-I62 HydrophobicContact CE1-CD1 3.73Å; L13-I62 HydrophobicContact CD1-CG2 3.77Å; L13-I62 HydrophobicContact CD2-CG2 3.62Å; L13-I62 HydrophobicContact CG-CG2 4.35Å; V21-I62 HydrophobicContact CG2-CD1 4.44Å; I37-I62 HydrophobicContact CD1-CB 4.27Å; I37-I62 HydrophobicContact CD1-CD1 3.77Å; I37-I62 HydrophobicContact CD1-CG2 4.29Å; I37-I62 HydrophobicContact CG2-CG2 4.19Å; A58-I62 HydrophobicContact CB-CD1 4.36Å; A58-I62 WeakPolarHBondContact O-CB 3.45Å; A58-I62 WeakPolarHBondContact O-CG1 3.37Å; A58-I62 PolarHBondContact O-N 3.45Å; I62-I64 VanDerWaalsContact C-N 3.3Å; I62-I64 PolarHBondContact O-N 3.28Å; I62-I65 PolarHBondContact O-N 2.98Å; I62-Q66 WeakPolarHBondContact O-CB 3.37Å; I62-Q66 PolarHBondContact O-N 3.04Å; I62-L102 HydrophobicContact CG1-CD1 4.24Å; I62-L102 HydrophobicContact CG1-CD2 4.34Å
63P96.5Very high90.7Very high0 Ų025.1 Ų25.10%015%0.15CC..Hα-helixtrans-65-31.6179.422.8-32.7000113.1A40 L41 A59 Y60 R67A40-P63 HydrophobicContact CB-CB 3.55Å; A40-P63 HydrophobicContact CB-CG 3.54Å; L41-P63 HydrophobicContact CD2-CB 3.89Å; L41-P63 HydrophobicContact CG-CB 4.26Å; A59-P63 VanDerWaalsContact O-CD 3.25Å; A59-P63 WeakPolarHBondContact O-CD 3.3Å; A59-P63 VanDerWaalsContact O-CG 3.28Å; A59-P63 WeakPolarHBondContact O-CG 3.4Å; Y60-P63 VanDerWaalsContact O-CD 3.32Å; Y60-P63 WeakPolarHBondContact O-CD 3.49Å; Y60-P63 VanDerWaalsContact O-CG 3.31Å; Y60-P63 WeakPolarHBondContact O-CG 3.23Å; P63-R67 WeakPolarHBondContact O-CB 3.41Å; P63-R67 PolarHBondContact O-N 2.98Å
64I96.4Very high91.3Very high0 Ų027.3 Ų27.30%016%0.157CC..Hα-helixtrans-62.3-51.7173.4-72.1165.9000110.9Y60 A61 I62 Q66 R67 I68 A82 I84 M99 V134 M159 V161Y60-I64 HydrophobicContact CD2-CD1 3.94Å; Y60-I64 WeakPolarHBondContact O-CB 3.47Å; Y60-I64 VanDerWaalsContact O-CD1 3.27Å; Y60-I64 WeakPolarHBondContact O-CD1 3.49Å; Y60-I64 WeakPolarHBondContact O-CG1 3.45Å; Y60-I64 PolarHBondContact O-N 3.42Å; A61-I64 PolarHBondContact O-N 3.02Å; I62-I64 VanDerWaalsContact C-N 3.3Å; I62-I64 PolarHBondContact O-N 3.28Å; I64-Q66 VanDerWaalsContact C-N 3.33Å; I64-Q66 PolarHBondContact O-N 3.48Å; I64-R67 PolarHBondContact O-N 3.19Å; I64-I68 HydrophobicContact CG2-CD1 3.72Å; I64-I68 VanDerWaalsContact O-CG1 3.3Å; I64-I68 WeakPolarHBondContact O-CG1 3.37Å; I64-I68 PolarHBondContact O-N 3.17Å; I64-A82 HydrophobicContact CG2-CB 3.59Å; I64-I84 HydrophobicContact CD1-CD1 4.4Å; I64-I84 HydrophobicContact CD1-CG1 4.43Å; I64-M99 HydrophobicContact CG2-CE 4.09Å; I64-V134 HydrophobicContact CG2-CG2 4.1Å; I64-M159 HydrophobicContact CB-CE 4.17Å; I64-M159 HydrophobicContact CB-SD 4.24Å; I64-M159 HydrophobicContact CG1-CE 4.16Å; I64-M159 HydrophobicContact CG1-SD 3.69Å; I64-M159 HydrophobicContact CG2-CE 4.01Å; I64-V161 HydrophobicContact CD1-CG2 3.49Å; I64-V161 VanDerWaalsContact CD1-CG2 3.49Å
65I96Very high91.5Very high0 Ų028.9 Ų28.90%017%0.166CC..Hα-helixtrans-63.2-43.8-179.1-62.9160.8000109.9L17 A61 I62 R67 I68 L69 M99 L102 T103 V110L17-I65 HydrophobicContact CD1-CB 4.23Å; L17-I65 HydrophobicContact CD1-CG2 3.98Å; L17-I65 HydrophobicContact CD2-CB 4.07Å; L17-I65 HydrophobicContact CD2-CD1 4.17Å; L17-I65 HydrophobicContact CD2-CG2 3.63Å; L17-I65 HydrophobicContact CG-CG2 4.05Å; A61-I65 WeakPolarHBondContact O-CD1 3.41Å; A61-I65 VanDerWaalsContact O-CG1 3.26Å; A61-I65 WeakPolarHBondContact O-CG1 3.43Å; A61-I65 PolarHBondContact O-N 3.46Å; I62-I65 PolarHBondContact O-N 2.98Å; I65-R67 PolarHBondContact O-N 3.38Å; I65-I68 PolarHBondContact O-N 2.93Å; I65-L69 HydrophobicContact CG2-CD1 4Å; I65-L69 HydrophobicContact CG2-CG 4.23Å; I65-L69 VanDerWaalsContact O-CG 3.32Å; I65-L69 WeakPolarHBondContact O-CG 3.39Å; I65-L69 PolarHBondContact O-N 3.38Å; I65-M99 HydrophobicContact CD1-CE 4.49Å; I65-M99 HydrophobicContact CD1-SD 3.98Å; I65-M99 HydrophobicContact CG1-CE 4.19Å; I65-M99 HydrophobicContact CG1-SD 4.31Å; I65-L102 HydrophobicContact CD1-CB 3.63Å; I65-L102 HydrophobicContact CD1-CD1 4.28Å; I65-T103 HydrophobicContact CD1-CG2 3.68Å; I65-T103 HydrophobicContact CG1-CG2 3.91Å; I65-T103 HydrophobicContact CG2-CG2 4.04Å; I65-V110 HydrophobicContact CG2-CG2 4.2Å
66Q95.4Very high90.9Very high34 Ų3439.9 Ų39.916%0.15920%0.2CC..Hα-helixtrans-57.2-46.7177.6-178.465.217.300111.8G12 L13 L17 L41 I62 I64 L69 A70G12-Q66 PolarHBondContact O-NE2 3.46Å; L13-Q66 HydrophobicContact CD2-CG 4.45Å; L17-Q66 HydrophobicContact CD1-CB 4.07Å; L41-Q66 HydrophobicContact CD2-CB 3.9Å; L41-Q66 HydrophobicContact CD2-CG 3.66Å; I62-Q66 WeakPolarHBondContact O-CB 3.37Å; I62-Q66 PolarHBondContact O-N 3.04Å; I64-Q66 VanDerWaalsContact C-N 3.33Å; I64-Q66 PolarHBondContact O-N 3.48Å; Q66-L69 PolarHBondContact O-N 3.23Å; Q66-A70 WeakPolarHBondContact O-CB 3.11Å; Q66-A70 PolarHBondContact O-N 3.5Å
67R93.9Very high90.5Very high67 Ų6746.1 Ų46.125%0.25323%0.229SC..Hα-helixtrans-63.7-42.5177.6-84.7177167.6-136.5-9.8112.7P63 I64 I65 A70 S71 M159P63-R67 WeakPolarHBondContact O-CB 3.41Å; P63-R67 PolarHBondContact O-N 2.98Å; I64-R67 PolarHBondContact O-N 3.19Å; I65-R67 PolarHBondContact O-N 3.38Å; R67-A70 PolarHBondContact O-N 2.88Å; R67-S71 WeakPolarHBondContact O-CB 3.5Å; R67-S71 PolarHBondContact O-N 2.91Å; R67-M159 HydrophobicContact CB-CE 3.73Å; R67-M159 HydrophobicContact CB-SD 4.17Å; R67-M159 WeakPolarHBondContact CD-SD 3.34Å; R67-M159 HydrophobicContact CG-SD 4.4Å
68I93.6Very high90.3Very high0 Ų047.1 Ų47.10%023%0.231CC..Hα-helixtrans-62-46.4176.6-66.7163.4000110.2I64 I65 A70 S71 K72 R81 A82 V110 D133 V134 M159I64-I68 HydrophobicContact CG2-CD1 3.72Å; I64-I68 VanDerWaalsContact O-CG1 3.3Å; I64-I68 WeakPolarHBondContact O-CG1 3.37Å; I64-I68 PolarHBondContact O-N 3.17Å; I65-I68 PolarHBondContact O-N 2.93Å; I68-A70 VanDerWaalsContact C-N 3.35Å; I68-A70 PolarHBondContact O-N 3.41Å; I68-S71 PolarHBondContact O-N 2.96Å; I68-K72 HydrophobicContact CG2-CD 4.41Å; I68-K72 HydrophobicContact CG2-CG 4.49Å; I68-K72 WeakPolarHBondContact O-CG 3.49Å; I68-K72 PolarHBondContact O-N 3.26Å; I68-R81 HydrophobicContact CG1-CB 4.37Å; I68-A82 HydrophobicContact CD1-CB 4.49Å; I68-V110 HydrophobicContact CB-CG2 4.47Å; I68-V110 HydrophobicContact CD1-CG1 4.34Å; I68-V110 HydrophobicContact CG2-CG1 4.43Å; I68-V110 HydrophobicContact CG2-CG2 3.89Å; I68-D133 HydrophobicContact CD1-CB 4.08Å; I68-D133 HydrophobicContact CG2-CB 4.03Å; I68-V134 HydrophobicContact CD1-CG2 3.52Å; I68-M159 HydrophobicContact CG1-CE 4.36Å
69L93.3Very high90.2Very high5 Ų548.7 Ų48.73%0.02624%0.24CC..Hα-helixtrans-60.3-43.6177.9-70.8177.4000112D14 L17 I65 Q66 K72 C106 D109 V110D14-L69 HydrophobicContact CB-CD1 4.03Å; L17-L69 HydrophobicContact CD1-CD1 4.31Å; L17-L69 HydrophobicContact CG-CD1 4.31Å; I65-L69 HydrophobicContact CG2-CD1 4Å; I65-L69 HydrophobicContact CG2-CG 4.23Å; I65-L69 VanDerWaalsContact O-CG 3.32Å; I65-L69 WeakPolarHBondContact O-CG 3.39Å; I65-L69 PolarHBondContact O-N 3.38Å; Q66-L69 PolarHBondContact O-N 3.23Å; L69-K72 PolarHBondContact O-N 2.9Å; L69-C106 HydrophobicContact CD1-CB 4.43Å; L69-C106 HydrophobicContact CD2-CB 4.01Å; L69-D109 HydrophobicContact CD2-CB 3.8Å; L69-V110 HydrophobicContact CD2-CG2 3.63Å; L69-V110 HydrophobicContact CG-CG2 4.04Å
70A91.8Very high90.2Very high48 Ų4848.9 Ų48.940%0.39724%0.241SC..Hα-helixtrans-63.1-43.6175.700000111.7Q66 R67 I68 K72 Q73Q66-A70 WeakPolarHBondContact O-CB 3.11Å; Q66-A70 PolarHBondContact O-N 3.5Å; R67-A70 PolarHBondContact O-N 2.88Å; I68-A70 VanDerWaalsContact C-N 3.35Å; I68-A70 PolarHBondContact O-N 3.41Å; A70-K72 VanDerWaalsContact C-N 3.33Å; A70-K72 PolarHBondContact O-N 3.32Å; A70-Q73 WeakPolarHBondContact O-CB 3.48Å; A70-Q73 PolarHBondContact O-N 2.96Å
71S88.7Confident90.2Very high22 Ų2249.5 Ų49.515%0.15424%0.243CC..Hα-helixtrans-68.1-31.9-179.2-155.40000112.8R67 I68 Q73 S74 V75 R81R67-S71 WeakPolarHBondContact O-CB 3.5Å; R67-S71 PolarHBondContact O-N 2.91Å; I68-S71 PolarHBondContact O-N 2.96Å; S71-Q73 PolarHBondContact O-N 2.96Å; S71-S74 PolarHBondContact O-N 2.99Å; S71-S74 VanDerWaalsContact O-N 3.16Å; S71-S74 PolarHBondContact O-OG 3.34Å; S71-S74 VanDerWaalsContact O-OG 3.07Å; S71-V75 PolarHBondContact O-N 2.78Å; S71-R81 PolarHBondContact OG-NH1 3.47Å
72K88.2Confident90.2Very high48 Ų4849.6 Ų49.621%0.20924%0.243CC..THydrogen-bonded Turntrans-70.2-13174.7-74.4-164.6-178.8-161.70114.7I68 L69 A70 S74 D109 D133I68-K72 HydrophobicContact CG2-CD 4.41Å; I68-K72 HydrophobicContact CG2-CG 4.49Å; I68-K72 WeakPolarHBondContact O-CG 3.49Å; I68-K72 PolarHBondContact O-N 3.26Å; L69-K72 PolarHBondContact O-N 2.9Å; A70-K72 VanDerWaalsContact C-N 3.33Å; A70-K72 PolarHBondContact O-N 3.32Å; K72-S74 VanDerWaalsContact C-N 3.26Å; K72-D109 WeakPolarHBondContact CD-O 3.38Å; K72-D109 WeakPolarHBondContact CE-O 3.34Å; K72-D109 PolarHBondContact NZ-O 3.39Å; K72-D133 WeakPolarHBondContact CE-OD1 3.42Å; K72-D133 IonicContact NZ-OD1 2.94Å; K72-D133 PolarHBondContact NZ-OD1 3.42Å; K72-D133 IonicContact NZ-OD2 2.74Å; K72-D133 PolarHBondContact NZ-OD2 3.29Å
73Q86Confident90.3Very high161 Ų16149.6 Ų49.675%0.75224%0.243SC*.THydrogen-bonded Turntrans-69.4-29.1171-61.9179.8-1.200111.6A70 S71A70-Q73 WeakPolarHBondContact O-CB 3.48Å; A70-Q73 PolarHBondContact O-N 2.96Å; S71-Q73 PolarHBondContact O-N 2.96Å
74S81.7Confident90.3Very high96 Ų9649.6 Ų49.667%0.67124%0.243SC*.THydrogen-bonded Turntrans-108.1-35.9-177.656.90000113.3S71 K72S71-S74 PolarHBondContact O-N 2.99Å; S71-S74 VanDerWaalsContact O-N 3.16Å; S71-S74 PolarHBondContact O-OG 3.34Å; S71-S74 VanDerWaalsContact O-OG 3.07Å; K72-S74 VanDerWaalsContact C-N 3.26Å
75V77.3Confident90.3Very high56 Ų5649.6 Ų49.634%0.33924%0.244SC..  trans-104.9124.6-175.3-174.90000110.9S71 E77 R81S71-V75 PolarHBondContact O-N 2.78Å; V75-E77 HydrophobicContact CG1-CB 4.41Å; V75-R81 VanDerWaalsContact CB-NH2 3.27Å
76R71.9Confident90.2Very high254 Ų25449.6 Ų49.696%0.95824%0.244SC*.  trans-90.7-18.8179.5-66.7-175.1179.5177.80.4114.2
77E82.1Confident89.6Confident140 Ų14048.1 Ų48.165%0.65424%0.237SC*.  trans-75.4132.7-178.9-69-175.7170.600111V75V75-E77 HydrophobicContact CG1-CB 4.41Å
78Q87.4Confident88.9Confident53 Ų5345.1 Ų45.125%0.24823%0.226CC..  trans-87.7115.6177.1-177.770.111.600108.1K131 D133Q78-K131 HydrophobicContact CG-CB 4.15Å; Q78-K131 WeakPolarHBondContact CG-O 3.4Å; Q78-K131 PolarHBondContact NE2-O 2.94Å; Q78-K131 WeakPolarHBondContact O-CD 3.46Å; Q78-D133 PolarHBondContact NE2-OD1 3.28Å; Q78-D133 PolarHBondContact NE2-OD2 3.41Å
79D91.7Very high88.4Confident36 Ų3648.4 Ų48.419%0.19324%0.24CC..  trans-148164.7-179.9-80.8-48.4000110.9R81 K131D79-R81 PolarHBondContact O-N 3.48Å; D79-K131 WeakPolarHBondContact OD1-CD 3.19Å; D79-K131 WeakPolarHBondContact OD1-CE 3.26Å; D79-K131 IonicContact OD1-NZ 2.74Å; D79-K131 PolarHBondContact OD1-NZ 2.88Å
80V94.9Very high87.8Confident6 Ų650.7 Ų50.74%0.03625%0.251CS..  trans-77.6112.3178-1730000109.1P132 V135 L151 L153 S156V80-P132 WeakPolarHBondContact CA-O 3.27Å; V80-P132 WeakPolarHBondContact CG2-O 3.16Å; V80-V135 HydrophobicContact CG1-CB 4.21Å; V80-V135 HydrophobicContact CG1-CG2 3.65Å; V80-V135 HydrophobicContact CG2-CG2 4.16Å; V80-L151 HydrophobicContact CB-CD1 4.38Å; V80-L151 HydrophobicContact CG1-CD1 4.45Å; V80-L151 HydrophobicContact CG2-CD1 3.72Å; V80-L153 HydrophobicContact CB-CD2 3.93Å; V80-L153 HydrophobicContact CG1-CD2 3.66Å; V80-S156 CarbonylContact O-C 3.56Å; V80-S156 WeakPolarHBondContact O-CB 3.3Å; V80-S156 PolarHBondContact O-OG 3.39Å
81R94.9Very high87.4Confident14 Ų1449.2 Ų49.25%0.05324%0.236CC..  trans-105.8-25-176.8-65.5179-170.8-110.47.1113.6I68 S71 V75 D79 D133 E158 M159I68-R81 HydrophobicContact CG1-CB 4.37Å; S71-R81 PolarHBondContact OG-NH1 3.47Å; V75-R81 VanDerWaalsContact CB-NH2 3.27Å; D79-R81 PolarHBondContact O-N 3.48Å; R81-D133 PolarHBondContact N-O 2.93Å; R81-E158 IonicContact CZ-OE1 3.63Å; R81-E158 IonicContact NH1-OE1 2.78Å; R81-E158 PolarHBondContact NH1-OE1 2.83Å; R81-E158 PolarHBondContact O-N 3.03Å; R81-M159 PolarHBondContact O-N 3.07Å; R81-M159 VanDerWaalsContact O-N 3.09Å
82A96.9Very high87.4Confident1 Ų148.1 Ų48.11%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-129.3137.5177.900000112.1I64 I68 D133 V134 V135 M159I64-A82 HydrophobicContact CG2-CB 3.59Å; I68-A82 HydrophobicContact CD1-CB 4.49Å; A82-D133 PolarHBondContact N-O 2.95Å; A82-V134 HydrophobicContact CB-CG1 4.27Å; A82-V134 HydrophobicContact CB-CG2 4.17Å; A82-V134 WeakPolarHBondContact O-CA 3.4Å; A82-V135 PolarHBondContact O-N 3.15Å; A82-M159 WeakPolarHBondContact CA-O 3.32Å; A82-M159 HydrophobicContact CB-CB 4.27Å; A82-M159 HydrophobicContact CB-CE 4.39Å
83L97.6Very high87.4Confident0 Ų050 Ų500%024%0.238CC..EExtended strand (participates in β ladder)trans-119.8125174.4176.964.2000109L85 V135 V142 L153 L157 M159 L160 V161 L180L83-L85 HydrophobicContact CD1-CD2 4.17Å; L83-L85 HydrophobicContact CD2-CD2 3.99Å; L83-L85 HydrophobicContact CD2-CG 4.32Å; L83-L85 HydrophobicContact CG-CD2 4.02Å; L83-L85 HydrophobicContact CG-CG 4.28Å; L83-V135 WeakPolarHBondContact CA-O 3.43Å; L83-V135 HydrophobicContact CD1-CB 4.26Å; L83-V135 HydrophobicContact CD1-CG1 4.18Å; L83-V142 HydrophobicContact CD1-CG1 3.98Å; L83-V142 HydrophobicContact CD1-CG2 3.97Å; L83-V142 HydrophobicContact CD2-CG1 4.02Å; L83-L153 HydrophobicContact CD2-CD1 3.77Å; L83-L157 HydrophobicContact CB-CD1 3.68Å; L83-L157 HydrophobicContact CB-CD2 4.35Å; L83-M159 PolarHBondContact N-O 3.07Å; L83-L160 HydrophobicContact CB-CD1 4.07Å; L83-L160 HydrophobicContact CD2-CD1 3.8Å; L83-L160 HydrophobicContact CG-CD1 3.98Å; L83-L160 CarbonylContact O-C 3.57Å; L83-L160 WeakPolarHBondContact O-CA 3.43Å; L83-V161 PolarHBondContact O-N 2.99Å; L83-L180 HydrophobicContact CD2-CD2 4.18Å
84I97.6Very high87.4Confident0 Ų045.9 Ų45.90%022%0.219CC..EExtended strand (participates in β ladder)trans-113.1112175.1-56.8165.1000108.6Y60 I64 V86 V95 M99 V134 V135 V136 G137 V161Y60-I84 HydrophobicContact CD2-CD1 4.49Å; Y60-I84 HydrophobicContact CE2-CD1 3.96Å; Y60-I84 HydrophobicContact CE2-CG1 4.43Å; Y60-I84 HydrophobicContact CE2-CG2 4.3Å; I64-I84 HydrophobicContact CD1-CD1 4.4Å; I64-I84 HydrophobicContact CD1-CG1 4.43Å; I84-V86 HydrophobicContact CG2-CG1 4.22Å; I84-V95 HydrophobicContact CD1-CG1 4Å; I84-V95 HydrophobicContact CG2-CG1 4.16Å; I84-M99 HydrophobicContact CD1-CE 3.97Å; I84-V134 HydrophobicContact CD1-CG1 3.74Å; I84-V134 HydrophobicContact CG1-CG1 4.29Å; I84-V135 PolarHBondContact N-O 3.4Å; I84-V136 HydrophobicContact CB-CG1 4.44Å; I84-V136 HydrophobicContact CB-CG2 4.24Å; I84-V136 HydrophobicContact CD1-CG2 4.13Å; I84-V136 HydrophobicContact CG2-CG1 4.49Å; I84-V136 WeakPolarHBondContact O-CA 3.47Å; I84-G137 PolarHBondContact O-N 2.96Å; I84-V161 HydrophobicContact CB-CB 4.34Å; I84-V161 HydrophobicContact CG1-CB 4.04Å; I84-V161 HydrophobicContact CG1-CG2 4.12Å; I84-V161 HydrophobicContact CG2-CB 4.11Å; I84-V161 HydrophobicContact CG2-CG1 4.21Å
85L96.1Very high88Confident1 Ų141.3 Ų41.31%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-89.8125.4175.2-61.2-177.6000109.8L83 G137 V142 L160 V161 V162 D163 L177 L180L83-L85 HydrophobicContact CD1-CD2 4.17Å; L83-L85 HydrophobicContact CD2-CD2 3.99Å; L83-L85 HydrophobicContact CD2-CG 4.32Å; L83-L85 HydrophobicContact CG-CD2 4.02Å; L83-L85 HydrophobicContact CG-CG 4.28Å; L85-G137 WeakPolarHBondContact CA-O 3.39Å; L85-V142 HydrophobicContact CD2-CB 4.39Å; L85-V142 HydrophobicContact CD2-CG2 3.9Å; L85-L160 HydrophobicContact CD1-CD1 4.04Å; L85-L160 HydrophobicContact CG-CD1 4.12Å; L85-V161 PolarHBondContact N-O 3.42Å; L85-V162 HydrophobicContact CB-CG2 4.23Å; L85-V162 HydrophobicContact CD1-CG2 4.2Å; L85-D163 PolarHBondContact O-N 3.05Å; L85-L177 HydrophobicContact CD1-CD1 3.48Å; L85-L177 VanDerWaalsContact CD1-CD1 3.48Å; L85-L180 HydrophobicContact CD1-CD1 4.31Å; L85-L180 HydrophobicContact CD1-CD2 4.49Å; L85-L180 HydrophobicContact CD2-CD1 4.08Å
86V92.4Very high88.8Confident0 Ų040.3 Ų40.30%018%0.178CC..  trans-123.7145.9177.1-68.70000109.8I84 T88 L91 V95 V136 G137 T138 D163I84-V86 HydrophobicContact CG2-CG1 4.22Å; V86-T88 VanDerWaalsContact C-N 3.26Å; V86-T88 VanDerWaalsContact CG2-O 3.28Å; V86-T88 WeakPolarHBondContact CG2-O 3.45Å; V86-T88 PolarHBondContact O-N 2.93Å; V86-L91 HydrophobicContact CB-CB 4.37Å; V86-L91 HydrophobicContact CB-CD2 4.13Å; V86-L91 HydrophobicContact CB-CG 4.23Å; V86-L91 HydrophobicContact CG1-CD2 4.09Å; V86-L91 HydrophobicContact CG1-CG 3.99Å; V86-V95 HydrophobicContact CG1-CG2 4.14Å; V86-V136 HydrophobicContact CG1-CG1 4.28Å; V86-V136 HydrophobicContact CG2-CG1 4.21Å; V86-G137 PolarHBondContact N-O 3.4Å; V86-T138 WeakPolarHBondContact O-CA 3.31Å; V86-T138 WeakPolarHBondContact O-CG2 3.49Å; V86-D163 HydrophobicContact CG1-CB 4.34Å
87P83.3Confident89.7Confident2 Ų231.8 Ų31.81%0.01316%0.155CC..SBendtrans-67.5-22.8176.425.1-38.3000113.8L91 D163 E164 L167 F171 F173P87-L91 HydrophobicContact CG-CD2 4.07Å; P87-D163 WeakPolarHBondContact CD-O 3.07Å; P87-E164 HydrophobicContact CG-CB 4.06Å; P87-L167 HydrophobicContact CB-CB 3.89Å; P87-L167 HydrophobicContact CG-CB 3.93Å; P87-L167 HydrophobicContact CG-CD1 4.14Å; P87-F171 HydrophobicContact CB-CD2 4.2Å; P87-F171 HydrophobicContact CB-CE1 4.26Å; P87-F171 HydrophobicContact CB-CE2 3.91Å; P87-F171 HydrophobicContact CB-CG 4.44Å; P87-F171 HydrophobicContact CB-CZ 3.91Å; P87-F171 VanDerWaalsContact O-CE1 3.28Å; P87-F171 WeakPolarHBondContact O-CE1 3.33Å; P87-F173 WeakPolarHBondContact O-CE2 3.44Å
88T79.1Confident90.3Very high4 Ų427.3 Ų27.33%0.02514%0.135CC..SBendtrans-138.1159.2-173.560.10000114.4V86 L91 G92 F171 G349V86-T88 VanDerWaalsContact C-N 3.26Å; V86-T88 VanDerWaalsContact CG2-O 3.28Å; V86-T88 WeakPolarHBondContact CG2-O 3.45Å; V86-T88 PolarHBondContact O-N 2.93Å; T88-L91 VanDerWaalsContact OG1-CB 3.25Å; T88-L91 WeakPolarHBondContact OG1-CB 3.32Å; T88-L91 PolarHBondContact OG1-N 2.82Å; T88-G92 PolarHBondContact O-N 3.22Å; T88-F171 HydrophobicContact CG2-CE1 3.42Å; T88-F171 VanDerWaalsContact CG2-CE1 3.42Å; T88-F171 HydrophobicContact CG2-CZ 3.38Å; T88-G349 VanDerWaalsContact CG2-CA 3.47Å; T88-G349 VanDerWaalsContact OG1-CA 3.28Å; T88-G349 WeakPolarHBondContact OG1-CA 3.27Å
89K83.5Confident90.6Very high70 Ų7024.8 Ų24.830%0.30412%0.123SC..Hα-helixtrans-60.2-45.8172.2172.8-171.4171.4-1600111.8G92 Q93 S116K89-G92 WeakPolarHBondContact O-CA 3.28Å; K89-G92 PolarHBondContact O-N 2.87Å; K89-G92 VanDerWaalsContact O-N 3.12Å; K89-Q93 WeakPolarHBondContact O-CG 3.31Å; K89-Q93 PolarHBondContact O-N 2.59Å; K89-S116 WeakPolarHBondContact CA-OG 3.39Å; K89-S116 PolarHBondContact O-OG 3.09Å
90E80.5Confident90.7Very high52 Ų5230.2 Ų30.224%0.24314%0.14CC..Hα-helixtrans-66.9-41.4-173.7-6671.3-151.800110.5G92 Q93 Q94 G349 V350E90-G92 VanDerWaalsContact C-N 3.33Å; E90-Q93 PolarHBondContact O-N 2.82Å; E90-Q94 WeakPolarHBondContact O-CG 3.27Å; E90-Q94 PolarHBondContact O-N 3.29Å; E90-G349 WeakPolarHBondContact CB-O 3.25Å; E90-V350 HydrophobicContact CG-CG2 3.93Å
91L83.5Confident90.7Very high17 Ų1733.8 Ų33.89%0.08916%0.157CC..Hα-helixtrans-64.3-38.7171.3-173.961.2000111.6V86 P87 T88 Q93 Q94 V95 E164V86-L91 HydrophobicContact CB-CB 4.37Å; V86-L91 HydrophobicContact CB-CD2 4.13Å; V86-L91 HydrophobicContact CB-CG 4.23Å; V86-L91 HydrophobicContact CG1-CD2 4.09Å; V86-L91 HydrophobicContact CG1-CG 3.99Å; P87-L91 HydrophobicContact CG-CD2 4.07Å; T88-L91 VanDerWaalsContact OG1-CB 3.25Å; T88-L91 WeakPolarHBondContact OG1-CB 3.32Å; T88-L91 PolarHBondContact OG1-N 2.82Å; L91-Q93 VanDerWaalsContact C-N 3.33Å; L91-Q93 PolarHBondContact O-N 3.08Å; L91-Q94 WeakPolarHBondContact O-CB 3.42Å; L91-Q94 PolarHBondContact O-N 3.3Å; L91-Q94 VanDerWaalsContact O-N 3.17Å; L91-V95 HydrophobicContact CD1-CG2 4.39Å; L91-V95 HydrophobicContact CG-CG2 4.37Å; L91-V95 VanDerWaalsContact O-CG2 3.31Å; L91-V95 WeakPolarHBondContact O-CG2 3.34Å; L91-V95 PolarHBondContact O-N 3.08Å; L91-E164 HydrophobicContact CD2-CB 4.22Å; L91-E164 HydrophobicContact CD2-CG 3.73Å
92G89.1Confident90.7Very high0 Ų033.1 Ų33.10%015%0.154CC..Hα-helixtrans-56.9-44.4174.200000113.1T88 K89 E90 V95 Q96T88-G92 PolarHBondContact O-N 3.22Å; K89-G92 WeakPolarHBondContact O-CA 3.28Å; K89-G92 PolarHBondContact O-N 2.87Å; K89-G92 VanDerWaalsContact O-N 3.12Å; E90-G92 VanDerWaalsContact C-N 3.33Å; G92-V95 PolarHBondContact O-N 2.99Å; G92-Q96 WeakPolarHBondContact O-CB 3.47Å; G92-Q96 PolarHBondContact O-N 3.19Å
93Q87.4Confident90.6Very high87 Ų8733.3 Ų33.341%0.40716%0.155SC..Hα-helixtrans-65.4-39175.3-68.6-176.8-20.300112.7K89 E90 L91 Q96 T97 D114K89-Q93 WeakPolarHBondContact O-CG 3.31Å; K89-Q93 PolarHBondContact O-N 2.59Å; E90-Q93 PolarHBondContact O-N 2.82Å; L91-Q93 VanDerWaalsContact C-N 3.33Å; L91-Q93 PolarHBondContact O-N 3.08Å; Q93-Q96 PolarHBondContact O-N 2.73Å; Q93-T97 WeakPolarHBondContact O-CB 3.32Å; Q93-T97 PolarHBondContact O-N 3.4Å; Q93-T97 PolarHBondContact O-OG1 3.32Å; Q93-D114 WeakPolarHBondContact CG-OD2 3.43Å
94Q86.6Confident90.4Very high74 Ų7435.8 Ų35.835%0.34617%0.172SC..Hα-helixtrans-63-46.9175.1-71.2173.69.800111.3E90 L91 T97 M98E90-Q94 WeakPolarHBondContact O-CG 3.27Å; E90-Q94 PolarHBondContact O-N 3.29Å; L91-Q94 WeakPolarHBondContact O-CB 3.42Å; L91-Q94 PolarHBondContact O-N 3.3Å; L91-Q94 VanDerWaalsContact O-N 3.17Å; Q94-T97 PolarHBondContact O-N 2.75Å; Q94-M98 PolarHBondContact O-N 3.03Å
95V93.3Very high90.2Very high1 Ų139.4 Ų39.41%0.00619%0.188CC..Hα-helixtrans-61.8-45.3176.9172.70000110.7T57 Y60 I84 V86 L91 G92 T97 M98 M99 V136T57-V95 HydrophobicContact CG2-CG1 4.47Å; T57-V95 HydrophobicContact CG2-CG2 4.16Å; Y60-V95 HydrophobicContact CE2-CG1 4.47Å; Y60-V95 WeakPolarHBondContact OH-CG2 3.45Å; I84-V95 HydrophobicContact CD1-CG1 4Å; I84-V95 HydrophobicContact CG2-CG1 4.16Å; V86-V95 HydrophobicContact CG1-CG2 4.14Å; L91-V95 HydrophobicContact CD1-CG2 4.39Å; L91-V95 HydrophobicContact CG-CG2 4.37Å; L91-V95 VanDerWaalsContact O-CG2 3.31Å; L91-V95 WeakPolarHBondContact O-CG2 3.34Å; L91-V95 PolarHBondContact O-N 3.08Å; G92-V95 PolarHBondContact O-N 2.99Å; V95-T97 VanDerWaalsContact C-N 3.32Å; V95-T97 PolarHBondContact O-N 3.45Å; V95-M98 PolarHBondContact O-N 3.27Å; V95-M99 HydrophobicContact CG1-CG 4.25Å; V95-M99 WeakPolarHBondContact O-CB 3.27Å; V95-M99 VanDerWaalsContact O-CG 3.23Å; V95-M99 WeakPolarHBondContact O-CG 3.17Å; V95-M99 PolarHBondContact O-N 3.21Å; V95-V136 HydrophobicContact CB-CG1 4.23Å; V95-V136 HydrophobicContact CG1-CG1 4.15Å; V95-V136 HydrophobicContact CG1-CG2 4Å
96Q94Very high90Very high34 Ų3439.4 Ų39.416%0.15919%0.189CC..Hα-helixtrans-60.2-42.9176.7-172-173.132.600111.8G92 Q93 M99 R100 V112 D114G92-Q96 WeakPolarHBondContact O-CB 3.47Å; G92-Q96 PolarHBondContact O-N 3.19Å; Q93-Q96 PolarHBondContact O-N 2.73Å; Q96-M99 PolarHBondContact O-N 3.34Å; Q96-R100 WeakPolarHBondContact O-CB 3.41Å; Q96-R100 WeakPolarHBondContact O-CG 3.41Å; Q96-R100 PolarHBondContact O-N 2.9Å; Q96-V112 HydrophobicContact CG-CG1 4.21Å; Q96-V112 PolarHBondContact NE2-O 3.08Å; Q96-D114 HydrophobicContact CB-CB 4.07Å; Q96-D114 VanDerWaalsContact CD-CB 3.45Å; Q96-D114 HydrophobicContact CG-CB 4.15Å
97T92.3Very high89.7Confident76 Ų7642.9 Ų42.947%0.46621%0.213SC..Hα-helixtrans-62.2-47.2178.6-58.30000110.8Q93 Q94 V95 M99 R100 Q101Q93-T97 WeakPolarHBondContact O-CB 3.32Å; Q93-T97 PolarHBondContact O-N 3.4Å; Q93-T97 PolarHBondContact O-OG1 3.32Å; Q94-T97 PolarHBondContact O-N 2.75Å; V95-T97 VanDerWaalsContact C-N 3.32Å; V95-T97 PolarHBondContact O-N 3.45Å; T97-M99 PolarHBondContact O-N 3.02Å; T97-R100 PolarHBondContact O-N 3.26Å; T97-Q101 WeakPolarHBondContact O-CG 3.42Å; T97-Q101 PolarHBondContact O-N 2.98Å
98M93.3Very high89.9Confident46 Ų4653.6 Ų53.623%0.22725%0.253CS..Hα-helixtrans-60.8-46.2176.7-178.659.871.500111.8W26 T57 Q94 V95 R100 Q101 L102W26-M98 HydrophobicContact CH2-CE 4.3Å; W26-M98 HydrophobicContact CH2-SD 3.65Å; W26-M98 HydrophobicContact CZ2-CE 4.05Å; W26-M98 HydrophobicContact CZ2-SD 3.87Å; T57-M98 HydrophobicContact CG2-CB 3.92Å; T57-M98 HydrophobicContact CG2-CG 3.7Å; Q94-M98 PolarHBondContact O-N 3.03Å; V95-M98 PolarHBondContact O-N 3.27Å; M98-R100 VanDerWaalsContact C-N 3.3Å; M98-R100 PolarHBondContact O-N 3.41Å; M98-Q101 PolarHBondContact O-N 2.89Å; M98-L102 HydrophobicContact CG-CD1 4.24Å; M98-L102 WeakPolarHBondContact O-CG 3.31Å; M98-L102 PolarHBondContact O-N 3.23Å; M98-L102 HydrophobicContact SD-CD1 4.45Å
99M94.9Very high90.3Very high0 Ų056.3 Ų56.30%027%0.268CS..Hα-helixtrans-61.3-38.4176.9-71.9-71.8-92.700111.8A61 I64 I65 I84 V95 Q96 T97 L102 T103 V112 V134A61-M99 HydrophobicContact CB-CG 4.49Å; A61-M99 HydrophobicContact CB-SD 3.27Å; A61-M99 WeakPolarHBondContact CB-SD 3.26Å; I64-M99 HydrophobicContact CG2-CE 4.09Å; I65-M99 HydrophobicContact CD1-CE 4.49Å; I65-M99 HydrophobicContact CD1-SD 3.98Å; I65-M99 HydrophobicContact CG1-CE 4.19Å; I65-M99 HydrophobicContact CG1-SD 4.31Å; I84-M99 HydrophobicContact CD1-CE 3.97Å; V95-M99 HydrophobicContact CG1-CG 4.25Å; V95-M99 WeakPolarHBondContact O-CB 3.27Å; V95-M99 VanDerWaalsContact O-CG 3.23Å; V95-M99 WeakPolarHBondContact O-CG 3.17Å; V95-M99 PolarHBondContact O-N 3.21Å; Q96-M99 PolarHBondContact O-N 3.34Å; T97-M99 PolarHBondContact O-N 3.02Å; M99-L102 PolarHBondContact O-N 3.29Å; M99-T103 WeakPolarHBondContact O-CB 3.47Å; M99-T103 VanDerWaalsContact O-CG2 3.3Å; M99-T103 WeakPolarHBondContact O-CG2 3.4Å; M99-T103 PolarHBondContact O-N 2.98Å; M99-T103 PolarHBondContact O-OG1 3.21Å; M99-V112 HydrophobicContact CB-CG1 3.99Å; M99-V112 HydrophobicContact CB-CG2 4.07Å; M99-V134 HydrophobicContact CE-CB 4.23Å; M99-V134 HydrophobicContact CE-CG1 3.74Å; M99-V134 HydrophobicContact CE-CG2 3.83Å
100R94.5Very high90.8Very high149 Ų14953.1 Ų53.156%0.56225%0.254SS*.Hα-helixtrans-67.1-37.1175-77.2-179.2178-157.2-0.2113Q96 T97 M98 T103 S104Q96-R100 WeakPolarHBondContact O-CB 3.41Å; Q96-R100 WeakPolarHBondContact O-CG 3.41Å; Q96-R100 PolarHBondContact O-N 2.9Å; T97-R100 PolarHBondContact O-N 3.26Å; M98-R100 VanDerWaalsContact C-N 3.3Å; M98-R100 PolarHBondContact O-N 3.41Å; R100-T103 WeakPolarHBondContact CA-OG1 3.48Å; R100-T103 CarbonylContact O-C 3.3Å; R100-T103 PolarHBondContact O-N 3Å; R100-T103 PolarHBondContact O-OG1 3.41Å; R100-S104 PolarHBondContact O-N 3.42Å; R100-S104 VanDerWaalsContact O-N 3.11Å
101Q94.2Very high91.4Very high82 Ų8256.1 Ų56.138%0.38326%0.263SS..Hα-helixtrans-64.8-45.5174.5-72.6172.8-32.100111.1L24 T97 M98 T103 S104L24-Q101 HydrophobicContact CD1-CB 4.2Å; L24-Q101 HydrophobicContact CD2-CB 3.82Å; L24-Q101 HydrophobicContact CD2-CG 4.17Å; L24-Q101 HydrophobicContact CG-CB 4.48Å; T97-Q101 WeakPolarHBondContact O-CG 3.42Å; T97-Q101 PolarHBondContact O-N 2.98Å; M98-Q101 PolarHBondContact O-N 2.89Å; Q101-T103 VanDerWaalsContact C-N 3.3Å; Q101-T103 PolarHBondContact O-N 2.83Å; Q101-S104 VanDerWaalsContact O-CB 3.27Å; Q101-S104 WeakPolarHBondContact O-CB 3.28Å; Q101-S104 PolarHBondContact O-N 3.14Å; Q101-S104 PolarHBondContact O-OG 2.85Å
102L94.6Very high92Very high0 Ų056 Ų560%026%0.263CS..Hα-helixtrans-66.4-30.8176.5-69.7170.8000113A20 V21 L24 W26 A61 I62 I65 M98 M99A20-L102 VanDerWaalsContact CB-O 3.23Å; A20-L102 WeakPolarHBondContact CB-O 3.39Å; V21-L102 HydrophobicContact CG2-CD2 4.21Å; L24-L102 HydrophobicContact CD1-CD2 3.86Å; L24-L102 HydrophobicContact CD1-CG 4.39Å; W26-L102 HydrophobicContact CH2-CD2 4.16Å; W26-L102 HydrophobicContact CZ3-CD2 3.92Å; A61-L102 HydrophobicContact CB-CD1 3.59Å; I62-L102 HydrophobicContact CG1-CD1 4.24Å; I62-L102 HydrophobicContact CG1-CD2 4.34Å; I65-L102 HydrophobicContact CD1-CB 3.63Å; I65-L102 HydrophobicContact CD1-CD1 4.28Å; M98-L102 HydrophobicContact CG-CD1 4.24Å; M98-L102 WeakPolarHBondContact O-CG 3.31Å; M98-L102 PolarHBondContact O-N 3.23Å; M98-L102 HydrophobicContact SD-CD1 4.45Å; M99-L102 PolarHBondContact O-N 3.29Å
103T95Very high92.2Very high5 Ų556.3 Ų56.33%0.03127%0.265CS..THydrogen-bonded Turntrans-929.5177.455.10000113.8I65 M99 R100 Q101 F105 C106 S107 V110I65-T103 HydrophobicContact CD1-CG2 3.68Å; I65-T103 HydrophobicContact CG1-CG2 3.91Å; I65-T103 HydrophobicContact CG2-CG2 4.04Å; M99-T103 WeakPolarHBondContact O-CB 3.47Å; M99-T103 VanDerWaalsContact O-CG2 3.3Å; M99-T103 WeakPolarHBondContact O-CG2 3.4Å; M99-T103 PolarHBondContact O-N 2.98Å; M99-T103 PolarHBondContact O-OG1 3.21Å; R100-T103 WeakPolarHBondContact CA-OG1 3.48Å; R100-T103 CarbonylContact O-C 3.3Å; R100-T103 PolarHBondContact O-N 3Å; R100-T103 PolarHBondContact O-OG1 3.41Å; Q101-T103 VanDerWaalsContact C-N 3.3Å; Q101-T103 PolarHBondContact O-N 2.83Å; T103-F105 PolarHBondContact O-N 3.41Å; T103-F105 VanDerWaalsContact O-N 3.12Å; T103-C106 VanDerWaalsContact CA-SG 3.58Å; T103-C106 CarbonylContact O-C 3.6Å; T103-C106 VanDerWaalsContact O-C 3.3Å; T103-C106 PolarHBondContact O-N 3.06Å; T103-S107 WeakPolarHBondContact O-CA 3.29Å; T103-S107 WeakPolarHBondContact O-CB 3.43Å; T103-S107 PolarHBondContact O-N 3.35Å; T103-V110 HydrophobicContact CG2-CB 3.87Å; T103-V110 HydrophobicContact CG2-CG1 3.84Å
104S93.6Very high92.6Very high51 Ų5153.2 Ų53.236%0.35725%0.252SS..THydrogen-bonded Turntrans-51.7-39.8-178.152.30000113.4R100 Q101R100-S104 PolarHBondContact O-N 3.42Å; R100-S104 VanDerWaalsContact O-N 3.11Å; Q101-S104 VanDerWaalsContact O-CB 3.27Å; Q101-S104 WeakPolarHBondContact O-CB 3.28Å; Q101-S104 PolarHBondContact O-N 3.14Å; Q101-S104 PolarHBondContact O-OG 2.85Å
105F93.6Very high92.9Very high76 Ų7649.7 Ų49.733%0.33324%0.235SC..THydrogen-bonded Turntrans-94.41178.7-61.3-76.8000114.5R16 K19 A20 D23 T103R16-F105 HydrophobicContact CB-CB 4.03Å; R16-F105 WeakPolarHBondContact CD-O 3.47Å; K19-F105 HydrophobicContact CB-CD2 4.01Å; K19-F105 HydrophobicContact CB-CE2 4.23Å; K19-F105 HydrophobicContact CB-CG 4.37Å; K19-F105 HydrophobicContact CD-CD1 3.8Å; K19-F105 HydrophobicContact CD-CD2 4.27Å; K19-F105 HydrophobicContact CD-CE1 3.75Å; K19-F105 HydrophobicContact CD-CE2 4.23Å; K19-F105 HydrophobicContact CD-CG 4.07Å; K19-F105 HydrophobicContact CD-CZ 3.97Å; K19-F105 HydrophobicContact CG-CD1 4.35Å; K19-F105 HydrophobicContact CG-CD2 3.95Å; K19-F105 HydrophobicContact CG-CE1 4.16Å; K19-F105 HydrophobicContact CG-CE2 3.75Å; K19-F105 HydrophobicContact CG-CG 4.26Å; K19-F105 HydrophobicContact CG-CZ 3.86Å; A20-F105 HydrophobicContact CB-CD2 3.93Å; A20-F105 HydrophobicContact CB-CE2 4.43Å; D23-F105 HydrophobicContact CB-CE2 4.13Å; T103-F105 PolarHBondContact O-N 3.41Å; T103-F105 VanDerWaalsContact O-N 3.12Å
106C91Very high92.6Very high2 Ų250 Ų501%0.01424%0.237CC..THydrogen-bonded Turntrans-13625.7176.265.40000113.4R16 L69 T103 R108 D109 V110R16-C106 HydrophobicContact CB-CB 4.35Å; L69-C106 HydrophobicContact CD1-CB 4.43Å; L69-C106 HydrophobicContact CD2-CB 4.01Å; T103-C106 VanDerWaalsContact CA-SG 3.58Å; T103-C106 CarbonylContact O-C 3.6Å; T103-C106 VanDerWaalsContact O-C 3.3Å; T103-C106 PolarHBondContact O-N 3.06Å; C106-R108 PolarHBondContact O-N 3.47Å; C106-R108 VanDerWaalsContact O-N 3.15Å; C106-D109 CarbonylContact O-C 3.56Å; C106-D109 WeakPolarHBondContact O-CA 3.46Å; C106-D109 PolarHBondContact O-N 3.36Å; C106-V110 PolarHBondContact O-N 2.91Å
107S87.3Confident92Very high73 Ų7349 Ų4951%0.5124%0.236SC..THydrogen-bonded Turntrans-64.7-21.1-174.457.60000114.4T103 D109T103-S107 WeakPolarHBondContact O-CA 3.29Å; T103-S107 WeakPolarHBondContact O-CB 3.43Å; T103-S107 PolarHBondContact O-N 3.35Å; S107-D109 VanDerWaalsContact C-N 3.34Å
108R85.9Confident91Very high227 Ų22752 Ų5286%0.85724%0.243SC*.THydrogen-bonded Turntrans-73-31.2171.9-65.8-177179.8176.60.1112.1C106C106-R108 PolarHBondContact O-N 3.47Å; C106-R108 VanDerWaalsContact O-N 3.15Å
109D88.7Confident90.3Very high61 Ų6152 Ų5233%0.32625%0.25SS..THydrogen-bonded Turntrans-97-26.2-174.6-55.3-58.8000112.1R16 L69 K72 C106 S107R16-D109 IonicContact CZ-OD2 3.97Å; R16-D109 IonicContact NH1-OD2 2.63Å; R16-D109 PolarHBondContact NH1-OD2 3.36Å; L69-D109 HydrophobicContact CD2-CB 3.8Å; K72-D109 WeakPolarHBondContact CD-O 3.38Å; K72-D109 WeakPolarHBondContact CE-O 3.34Å; K72-D109 PolarHBondContact NZ-O 3.39Å; C106-D109 CarbonylContact O-C 3.56Å; C106-D109 WeakPolarHBondContact O-CA 3.46Å; C106-D109 PolarHBondContact O-N 3.36Å; S107-D109 VanDerWaalsContact C-N 3.34Å
110V93.1Very high89.6Confident3 Ų357.3 Ų57.32%0.01828%0.279CS..  trans-127.8114-178.8-1750000110.2I65 I68 L69 T103 C106 V112 D133 V134I65-V110 HydrophobicContact CG2-CG2 4.2Å; I68-V110 HydrophobicContact CB-CG2 4.47Å; I68-V110 HydrophobicContact CD1-CG1 4.34Å; I68-V110 HydrophobicContact CG2-CG1 4.43Å; I68-V110 HydrophobicContact CG2-CG2 3.89Å; L69-V110 HydrophobicContact CD2-CG2 3.63Å; L69-V110 HydrophobicContact CG-CG2 4.04Å; T103-V110 HydrophobicContact CG2-CB 3.87Å; T103-V110 HydrophobicContact CG2-CG1 3.84Å; C106-V110 PolarHBondContact O-N 2.91Å; V110-V112 HydrophobicContact CG1-CG2 4.45Å; V110-D133 HydrophobicContact CG1-CB 4.41Å; V110-V134 HydrophobicContact CG1-CG2 4.43Å
111R93.8Very high89Confident114 Ų11452.3 Ų52.343%0.4326%0.264SS..  trans-103.1132.8179.6-61.1-176.5-172.2-168.34.7111P132 D133 V134R111-P132 HydrophobicContact CB-CB 4.24Å; R111-D133 PolarHBondContact N-OD2 3.32Å; R111-D133 PolarHBondContact O-N 3.2Å; R111-V134 PolarHBondContact O-N 3.15Å
112V95.3Very high88.5Confident15 Ų1552.3 Ų52.39%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-125.1121.4-176.9-172.40000110.5Q96 M99 V110 V134 V136Q96-V112 HydrophobicContact CG-CG1 4.21Å; Q96-V112 PolarHBondContact NE2-O 3.08Å; M99-V112 HydrophobicContact CB-CG1 3.99Å; M99-V112 HydrophobicContact CB-CG2 4.07Å; V110-V112 HydrophobicContact CG1-CG2 4.45Å; V112-V134 WeakPolarHBondContact CA-O 3.37Å; V112-V134 HydrophobicContact CB-CB 4.46Å; V112-V134 HydrophobicContact CG1-CB 4.17Å; V112-V134 HydrophobicContact CG1-CG1 4.31Å; V112-V134 HydrophobicContact CG2-CB 4.15Å; V112-V134 HydrophobicContact CG2-CG2 4.32Å; V112-V136 HydrophobicContact CG1-CG2 4.26Å
113A94.9Very high88.2Confident6 Ų656 Ų565%0.0530%0.296CS..EExtended strand (participates in β ladder)trans-115.4138.1177.400000111.6I127 P132 V134 V135 V136A113-I127 HydrophobicContact CB-CG2 3.73Å; A113-P132 HydrophobicContact CB-CB 3.8Å; A113-P132 HydrophobicContact CB-CG 3.58Å; A113-V134 PolarHBondContact N-O 3.11Å; A113-V135 WeakPolarHBondContact O-CA 3.19Å; A113-V136 PolarHBondContact O-N 2.91Å
114D94.5Very high87.8Confident23 Ų2356.2 Ų56.212%0.12330%0.297CS..EExtended strand (participates in β ladder)trans-106.7123.4171.3174.831.2000109.7Q93 Q96 S116 V136Q93-D114 WeakPolarHBondContact CG-OD2 3.43Å; Q96-D114 HydrophobicContact CB-CB 4.07Å; Q96-D114 VanDerWaalsContact CD-CB 3.45Å; Q96-D114 HydrophobicContact CG-CB 4.15Å; D114-S116 WeakPolarHBondContact OD1-CB 3.32Å; D114-S116 PolarHBondContact OD1-N 3.24Å; D114-S116 PolarHBondContact OD1-OG 3.39Å; D114-S116 PolarHBondContact OD2-OG 3.36Å; D114-S116 VanDerWaalsContact OD2-OG 3.07Å; D114-V136 WeakPolarHBondContact CA-O 3.31Å
115I94.1Very high87.6Confident0 Ų059.8 Ų59.80%030%0.302CS..  trans-114.58.5175.463.2167.7000112.7G117 Q124 L128 V135 V136 V142I115-G117 PolarHBondContact O-N 3.45Å; I115-Q124 HydrophobicContact CG2-CB 4.47Å; I115-Q124 PolarHBondContact O-NE2 2.87Å; I115-L128 HydrophobicContact CG2-CD1 4.44Å; I115-L128 HydrophobicContact CG2-CD2 4.06Å; I115-L128 HydrophobicContact CG2-CG 4.35Å; I115-V135 HydrophobicContact CD1-CG1 3.79Å; I115-V135 HydrophobicContact CG1-CG1 3.9Å; I115-V136 WeakPolarHBondContact CG1-O 3.32Å; I115-V136 PolarHBondContact N-O 3.19Å; I115-V142 HydrophobicContact CD1-CG2 3.98Å
116S86.8Confident87.6Confident7 Ų759.7 Ų59.75%0.04931%0.309CS..  trans-67.5-15.2179.270.40000113.8K89 D114K89-S116 WeakPolarHBondContact CA-OG 3.39Å; K89-S116 PolarHBondContact O-OG 3.09Å; D114-S116 WeakPolarHBondContact OD1-CB 3.32Å; D114-S116 PolarHBondContact OD1-N 3.24Å; D114-S116 PolarHBondContact OD1-OG 3.39Å; D114-S116 PolarHBondContact OD2-OG 3.36Å; D114-S116 VanDerWaalsContact OD2-OG 3.07Å
117G80.6Confident87.6Confident13 Ų1363.4 Ų63.413%0.13433%0.328CS..SBendtrans-61.9163.8-18000000115.7I115 A119I115-G117 PolarHBondContact O-N 3.45Å; G117-A119 PolarHBondContact O-N 2.87Å
118K71.9Confident87.8Confident140 Ų14060.2 Ų60.261%0.60931%0.305SS*.SBendtrans-75.3-2.6175.9-71.5-170.6178.3-176.10114.3R141K118-R141 VanDerWaalsContact C-NH2 3.3Å; K118-R141 PolarHBondContact O-NH2 3.4Å; K118-R141 VanDerWaalsContact O-NH2 3.08Å
119A77.9Confident88Confident46 Ų4655.3 Ų55.338%0.3829%0.294SS..SBendtrans-58.7151.2-176.400000111.3G117 T123 Q124 R141G117-A119 PolarHBondContact O-N 2.87Å; A119-T123 WeakPolarHBondContact CB-OG1 3.37Å; A119-Q124 HydrophobicContact CB-CG 4.28Å; A119-R141 PolarHBondContact O-NH1 3.17Å; A119-R141 PolarHBondContact O-NH2 3.04Å
120D80.6Confident88.1Confident111 Ų11158.3 Ų58.359%0.59431%0.306SS*.  trans-65.4145.8179.5-67.6-37.7000110.6S122 T123 Q124D120-S122 PolarHBondContact O-N 2.99Å; D120-S122 VanDerWaalsContact O-N 3.08Å; D120-T123 HydrophobicContact CB-CG2 4.27Å; D120-T123 PolarHBondContact N-OG1 2.95Å; D120-T123 PolarHBondContact O-N 3.4Å; D120-T123 PolarHBondContact O-OG1 3.12Å; D120-Q124 PolarHBondContact O-N 3.05Å
121V82.4Confident88Confident43 Ų4362.7 Ų62.726%0.26133%0.325SS..Hα-helixtrans-53-34.5178.9174.50000111.2T123 Q124 R125 A144 H145 A148 N150V121-T123 PolarHBondContact O-N 3.35Å; V121-Q124 PolarHBondContact O-N 3.28Å; V121-R125 PolarHBondContact O-N 2.84Å; V121-R125 VanDerWaalsContact O-N 3.12Å; V121-A144 HydrophobicContact CG2-CB 4.45Å; V121-H145 PolarHBondContact O-CE1 3.32Å; V121-A148 HydrophobicContact CG1-CB 4.32Å; V121-N150 VanDerWaalsContact CG1-ND2 3.31Å; V121-N150 WeakPolarHBondContact CG1-ND2 3.41Å
122S83.6Confident88Confident82 Ų8257.6 Ų57.657%0.57331%0.306SS*.Hα-helixtrans-63.3-35.9175.954.10000113.4D120 P126D120-S122 PolarHBondContact O-N 2.99Å; D120-S122 VanDerWaalsContact O-N 3.08Å; S122-P126 WeakPolarHBondContact O-CD 3.45Å
123T87.3Confident88.1Confident78 Ų7856.9 Ų56.948%0.47930%0.302SS..Hα-helixtrans-76.5-27.4179.865.60000112.6A119 D120 V121 P126A119-T123 WeakPolarHBondContact CB-OG1 3.37Å; D120-T123 HydrophobicContact CB-CG2 4.27Å; D120-T123 PolarHBondContact N-OG1 2.95Å; D120-T123 PolarHBondContact O-N 3.4Å; D120-T123 PolarHBondContact O-OG1 3.12Å; V121-T123 PolarHBondContact O-N 3.35Å; T123-P126 WeakPolarHBondContact O-CD 3.43Å
124Q87.9Confident88.1Confident9 Ų956.6 Ų56.64%0.04230%0.3CS..Hα-helixtrans-86.4-17.2177.9-70.6174-32.800112.5I115 A119 D120 V121 I127 L128 H145I115-Q124 HydrophobicContact CG2-CB 4.47Å; I115-Q124 PolarHBondContact O-NE2 2.87Å; A119-Q124 HydrophobicContact CB-CG 4.28Å; D120-Q124 PolarHBondContact O-N 3.05Å; V121-Q124 PolarHBondContact O-N 3.28Å; Q124-I127 WeakPolarHBondContact O-CB 3.03Å; Q124-I127 PolarHBondContact O-N 2.97Å; Q124-L128 PolarHBondContact O-N 2.86Å; Q124-H145 PolarHBondContact OE1-NE2 2.99Å
125R89.4Confident88.3Confident127 Ų12755.5 Ų55.548%0.47929%0.294SS..Hα-helixtrans-55.2-46.9179.1176.9179.4179173.33.4113.7V121 I127 L128 M129 N150V121-R125 PolarHBondContact O-N 2.84Å; V121-R125 VanDerWaalsContact O-N 3.12Å; R125-I127 VanDerWaalsContact C-N 3.28Å; R125-I127 PolarHBondContact O-N 3.43Å; R125-L128 PolarHBondContact O-N 2.88Å; R125-M129 HydrophobicContact CG-CE 4.48Å; R125-M129 HydrophobicContact CG-CG 4.34Å; R125-M129 HydrophobicContact CG-SD 4.06Å; R125-M129 WeakPolarHBondContact O-CG 3.43Å; R125-M129 PolarHBondContact O-N 3.35Å; R125-N150 VanDerWaalsContact CD-OD1 3.31Å; R125-N150 WeakPolarHBondContact CD-OD1 3.36Å; R125-N150 WeakPolarHBondContact CG-OD1 3.24Å
126P92Very high88.4Confident73 Ų7355.5 Ų55.547%0.47429%0.294SS..Hα-helixtrans-59.7-38.1177.9-2434.7000112.9S122 T123 L128 M129 E130S122-P126 WeakPolarHBondContact O-CD 3.45Å; T123-P126 WeakPolarHBondContact O-CD 3.43Å; P126-L128 VanDerWaalsContact C-N 3.33Å; P126-L128 PolarHBondContact O-N 3.02Å; P126-M129 WeakPolarHBondContact O-CB 3.45Å; P126-M129 PolarHBondContact O-N 2.98Å; P126-E130 PolarHBondContact O-N 3.25Å
127I90.8Very high88.8Confident80 Ų8055.2 Ų55.241%0.4129%0.291SS..Hα-helixtrans-63.6-41.2178.9-56.9172.1000110.4A113 Q124 R125 E130A113-I127 HydrophobicContact CB-CG2 3.73Å; Q124-I127 WeakPolarHBondContact O-CB 3.03Å; Q124-I127 PolarHBondContact O-N 2.97Å; R125-I127 VanDerWaalsContact C-N 3.28Å; R125-I127 PolarHBondContact O-N 3.43Å; I127-E130 PolarHBondContact O-N 3.09Å
128L92.1Very high89.4Confident7 Ų755.2 Ų55.24%0.03729%0.289CS..Hα-helixtrans-76-27.4178.2-64.9175.3000113I115 Q124 R125 P126 E130 K131 P132 V135 H145 N150 L151I115-L128 HydrophobicContact CG2-CD1 4.44Å; I115-L128 HydrophobicContact CG2-CD2 4.06Å; I115-L128 HydrophobicContact CG2-CG 4.35Å; Q124-L128 PolarHBondContact O-N 2.86Å; R125-L128 PolarHBondContact O-N 2.88Å; P126-L128 VanDerWaalsContact C-N 3.33Å; P126-L128 PolarHBondContact O-N 3.02Å; L128-E130 PolarHBondContact O-N 3.48Å; L128-K131 WeakPolarHBondContact O-CA 3.3Å; L128-K131 PolarHBondContact O-N 3.02Å; L128-P132 HydrophobicContact CD2-CG 4.45Å; L128-V135 HydrophobicContact CD2-CG2 4.03Å; L128-H145 HydrophobicContact CD1-CB 4.07Å; L128-H145 WeakPolarHBondContact CD1-ND1 3.49Å; L128-N150 HydrophobicContact CD1-CB 4.34Å; L128-L151 HydrophobicContact CD1-CB 4.44Å; L128-L151 HydrophobicContact CD2-CD1 4.45Å
129M90.2Very high90.4Very high123 Ų12348.6 Ų48.661%0.60626%0.26SS*.Hα-helixtrans-63.8-26.6173-78.6176.2141.700112.7R125 P126 K131R125-M129 HydrophobicContact CG-CE 4.48Å; R125-M129 HydrophobicContact CG-CG 4.34Å; R125-M129 HydrophobicContact CG-SD 4.06Å; R125-M129 WeakPolarHBondContact O-CG 3.43Å; R125-M129 PolarHBondContact O-N 3.35Å; P126-M129 WeakPolarHBondContact O-CB 3.45Å; P126-M129 PolarHBondContact O-N 2.98Å; M129-K131 PolarHBondContact O-N 3.38Å
130E90Very high91Very high125 Ų12548.4 Ų48.458%0.58426%0.256SS*.THydrogen-bonded Turntrans-72.4-5.7171.5-65.1-174.3-173.800113.7P126 I127 L128P126-E130 PolarHBondContact O-N 3.25Å; I127-E130 PolarHBondContact O-N 3.09Å; L128-E130 PolarHBondContact O-N 3.48Å
131K92Very high91.5Very high95 Ų9546 Ų4641%0.41324%0.239SC..  trans51.767179.5-61.4-174.8171.1-163.80112.6Q78 D79 L128 M129Q78-K131 HydrophobicContact CG-CB 4.15Å; Q78-K131 WeakPolarHBondContact CG-O 3.4Å; Q78-K131 PolarHBondContact NE2-O 2.94Å; Q78-K131 WeakPolarHBondContact O-CD 3.46Å; D79-K131 WeakPolarHBondContact OD1-CD 3.19Å; D79-K131 WeakPolarHBondContact OD1-CE 3.26Å; D79-K131 IonicContact OD1-NZ 2.74Å; D79-K131 PolarHBondContact OD1-NZ 2.88Å; L128-K131 WeakPolarHBondContact O-CA 3.3Å; L128-K131 PolarHBondContact O-N 3.02Å; M129-K131 PolarHBondContact O-N 3.38Å
132P94.4Very high92.1Very high7 Ų744 Ų445%0.04523%0.226CC..  trans-60.4146.4175.428.3-36000110.8V80 R111 A113 L128 V134 V135V80-P132 WeakPolarHBondContact CA-O 3.27Å; V80-P132 WeakPolarHBondContact CG2-O 3.16Å; R111-P132 HydrophobicContact CB-CB 4.24Å; A113-P132 HydrophobicContact CB-CB 3.8Å; A113-P132 HydrophobicContact CB-CG 3.58Å; L128-P132 HydrophobicContact CD2-CG 4.45Å; P132-V134 VanDerWaalsContact C-N 3.28Å; P132-V134 PolarHBondContact O-N 3.24Å; P132-V135 HydrophobicContact CG-CG2 3.8Å
133D95.6Very high92.6Very high0 Ų040.7 Ų40.70%020%0.202CC..SBendtrans-67.2-33.7-179.5-60.2-81.7000112.5I68 K72 Q78 R81 A82 V110 R111I68-D133 HydrophobicContact CD1-CB 4.08Å; I68-D133 HydrophobicContact CG2-CB 4.03Å; K72-D133 WeakPolarHBondContact CE-OD1 3.42Å; K72-D133 IonicContact NZ-OD1 2.94Å; K72-D133 PolarHBondContact NZ-OD1 3.42Å; K72-D133 IonicContact NZ-OD2 2.74Å; K72-D133 PolarHBondContact NZ-OD2 3.29Å; Q78-D133 PolarHBondContact NE2-OD1 3.28Å; Q78-D133 PolarHBondContact NE2-OD2 3.41Å; R81-D133 PolarHBondContact N-O 2.93Å; A82-D133 PolarHBondContact N-O 2.95Å; V110-D133 HydrophobicContact CG1-CB 4.41Å; R111-D133 PolarHBondContact N-OD2 3.32Å; R111-D133 PolarHBondContact O-N 3.2Å
134V97Very high92.8Very high0 Ų038.7 Ų38.70%019%0.193CC..EExtended strand (participates in β ladder)trans-124127.9179.2-172.50000110I64 I68 A82 I84 M99 V110 R111 V112 A113 P132 V136I64-V134 HydrophobicContact CG2-CG2 4.1Å; I68-V134 HydrophobicContact CD1-CG2 3.52Å; A82-V134 HydrophobicContact CB-CG1 4.27Å; A82-V134 HydrophobicContact CB-CG2 4.17Å; A82-V134 WeakPolarHBondContact O-CA 3.4Å; I84-V134 HydrophobicContact CD1-CG1 3.74Å; I84-V134 HydrophobicContact CG1-CG1 4.29Å; M99-V134 HydrophobicContact CE-CB 4.23Å; M99-V134 HydrophobicContact CE-CG1 3.74Å; M99-V134 HydrophobicContact CE-CG2 3.83Å; V110-V134 HydrophobicContact CG1-CG2 4.43Å; R111-V134 PolarHBondContact O-N 3.15Å; V112-V134 WeakPolarHBondContact CA-O 3.37Å; V112-V134 HydrophobicContact CB-CB 4.46Å; V112-V134 HydrophobicContact CG1-CB 4.17Å; V112-V134 HydrophobicContact CG1-CG1 4.31Å; V112-V134 HydrophobicContact CG2-CB 4.15Å; V112-V134 HydrophobicContact CG2-CG2 4.32Å; A113-V134 PolarHBondContact N-O 3.11Å; P132-V134 VanDerWaalsContact C-N 3.28Å; P132-V134 PolarHBondContact O-N 3.24Å; V134-V136 HydrophobicContact CG1-CG2 4.49Å
135V97.2Very high93.1Very high0 Ų038.2 Ų38.20%019%0.191CC..EExtended strand (participates in β ladder)trans-111.4127.3171175.70000109.3V80 A82 L83 I84 A113 I115 L128 P132 L151V80-V135 HydrophobicContact CG1-CB 4.21Å; V80-V135 HydrophobicContact CG1-CG2 3.65Å; V80-V135 HydrophobicContact CG2-CG2 4.16Å; A82-V135 PolarHBondContact O-N 3.15Å; L83-V135 WeakPolarHBondContact CA-O 3.43Å; L83-V135 HydrophobicContact CD1-CB 4.26Å; L83-V135 HydrophobicContact CD1-CG1 4.18Å; I84-V135 PolarHBondContact N-O 3.4Å; A113-V135 WeakPolarHBondContact O-CA 3.19Å; I115-V135 HydrophobicContact CD1-CG1 3.79Å; I115-V135 HydrophobicContact CG1-CG1 3.9Å; L128-V135 HydrophobicContact CD2-CG2 4.03Å; P132-V135 HydrophobicContact CG-CG2 3.8Å; V135-L151 HydrophobicContact CG2-CD1 4.45Å
136V97.3Very high93.3Very high0 Ų032.7 Ų32.70%017%0.171CC..EExtended strand (participates in β ladder)trans-107.4132.5172.3-173.20000108.3I84 V86 V95 V112 A113 D114 I115 V134I84-V136 HydrophobicContact CB-CG1 4.44Å; I84-V136 HydrophobicContact CB-CG2 4.24Å; I84-V136 HydrophobicContact CD1-CG2 4.13Å; I84-V136 HydrophobicContact CG2-CG1 4.49Å; I84-V136 WeakPolarHBondContact O-CA 3.47Å; V86-V136 HydrophobicContact CG1-CG1 4.28Å; V86-V136 HydrophobicContact CG2-CG1 4.21Å; V95-V136 HydrophobicContact CB-CG1 4.23Å; V95-V136 HydrophobicContact CG1-CG1 4.15Å; V95-V136 HydrophobicContact CG1-CG2 4Å; V112-V136 HydrophobicContact CG1-CG2 4.26Å; A113-V136 PolarHBondContact O-N 2.91Å; D114-V136 WeakPolarHBondContact CA-O 3.31Å; I115-V136 WeakPolarHBondContact CG1-O 3.32Å; I115-V136 PolarHBondContact N-O 3.19Å; V134-V136 HydrophobicContact CG1-CG2 4.49Å
137G95.1Very high93.4Very high0 Ų034.1 Ų34.10%018%0.175CC..EExtended strand (participates in β ladder)trans-168.6165.2-178.400000114.4I84 L85 V86I84-G137 PolarHBondContact O-N 2.96Å; L85-G137 WeakPolarHBondContact CA-O 3.39Å; V86-G137 PolarHBondContact N-O 3.4Å
138T91.7Very high93.4Very high14 Ų1432.7 Ų32.79%0.08618%0.175CC..  trans-79.9149.2168.561.40000110.4V86 S140 R141 V142V86-T138 WeakPolarHBondContact O-CA 3.31Å; V86-T138 WeakPolarHBondContact O-CG2 3.49Å; T138-S140 VanDerWaalsContact C-N 3.32Å; T138-S140 PolarHBondContact O-N 3.37Å; T138-R141 PolarHBondContact O-N 3.23Å; T138-R141 WeakPolarHBondContact OG1-CB 3.27Å; T138-R141 VanDerWaalsContact OG1-CG 3.32Å; T138-R141 WeakPolarHBondContact OG1-CG 3.2Å; T138-V142 WeakPolarHBondContact O-CG2 3.18Å; T138-V142 PolarHBondContact O-N 3.41Å
139P93.4Very high93.4Very high0 Ų040.8 Ų40.80%021%0.213CC..Hα-helixtrans-51.4-46.8-177.5-29.835.9000113.6R141 V142 L143 V168 F173 D176P139-R141 VanDerWaalsContact C-N 3.33Å; P139-R141 PolarHBondContact O-N 3.37Å; P139-V142 PolarHBondContact O-N 2.75Å; P139-L143 VanDerWaalsContact O-CB 3.31Å; P139-L143 WeakPolarHBondContact O-CB 3.49Å; P139-L143 PolarHBondContact O-N 3.41Å; P139-V168 HydrophobicContact CG-CG1 4.42Å; P139-F173 HydrophobicContact CB-CB 3.95Å; P139-F173 HydrophobicContact CB-CD1 4.33Å; P139-F173 HydrophobicContact CB-CG 4.1Å; P139-F173 HydrophobicContact CG-CB 3.89Å; P139-F173 HydrophobicContact CG-CD1 4.5Å; P139-F173 HydrophobicContact CG-CD2 4.02Å; P139-F173 HydrophobicContact CG-CG 3.9Å; P139-D176 HydrophobicContact CB-CB 4.32Å
140S90.4Very high93.4Very high42 Ų4236.4 Ų36.429%0.29419%0.192SC..Hα-helixtrans-62.8-37.7179.1-42.40000113T138 A144 F173 D176T138-S140 VanDerWaalsContact C-N 3.32Å; T138-S140 PolarHBondContact O-N 3.37Å; S140-A144 WeakPolarHBondContact O-CB 3.34Å; S140-A144 PolarHBondContact O-N 3.15Å; S140-F173 WeakPolarHBondContact OG-CD1 3.44Å; S140-F173 WeakPolarHBondContact OG-CE1 3.47Å; S140-D176 VanDerWaalsContact CB-OD2 3.32Å; S140-D176 WeakPolarHBondContact CB-OD2 3.48Å; S140-D176 PolarHBondContact OG-OD2 2.83Å
141R91.6Very high93.5Very high62 Ų6231 Ų3123%0.23417%0.167CC..Hα-helixtrans-72.4-43.8-179.7-76.9-66.4-171.8157-0.3111.7K118 A119 T138 P139 L143 A144 H145K118-R141 VanDerWaalsContact C-NH2 3.3Å; K118-R141 PolarHBondContact O-NH2 3.4Å; K118-R141 VanDerWaalsContact O-NH2 3.08Å; A119-R141 PolarHBondContact O-NH1 3.17Å; A119-R141 PolarHBondContact O-NH2 3.04Å; T138-R141 PolarHBondContact O-N 3.23Å; T138-R141 WeakPolarHBondContact OG1-CB 3.27Å; T138-R141 VanDerWaalsContact OG1-CG 3.32Å; T138-R141 WeakPolarHBondContact OG1-CG 3.2Å; P139-R141 VanDerWaalsContact C-N 3.33Å; P139-R141 PolarHBondContact O-N 3.37Å; R141-L143 VanDerWaalsContact C-N 3.31Å; R141-L143 PolarHBondContact O-N 2.94Å; R141-A144 PolarHBondContact O-N 3.23Å; R141-H145 PolarHBondContact O-CD2 3.3Å; R141-H145 PolarHBondContact O-N 3.47Å; R141-H145 VanDerWaalsContact O-N 3.09Å
142V94.8Very high93.5Very high0 Ų029.3 Ų29.30%017%0.17CC..Hα-helixtrans-60.1-46.4175178.90000109.7L83 L85 I115 T138 P139 A144 H145 L146 L151 L180L83-V142 HydrophobicContact CD1-CG1 3.98Å; L83-V142 HydrophobicContact CD1-CG2 3.97Å; L83-V142 HydrophobicContact CD2-CG1 4.02Å; L85-V142 HydrophobicContact CD2-CB 4.39Å; L85-V142 HydrophobicContact CD2-CG2 3.9Å; I115-V142 HydrophobicContact CD1-CG2 3.98Å; T138-V142 WeakPolarHBondContact O-CG2 3.18Å; T138-V142 PolarHBondContact O-N 3.41Å; P139-V142 PolarHBondContact O-N 2.75Å; V142-A144 VanDerWaalsContact C-N 3.34Å; V142-A144 PolarHBondContact O-N 3.24Å; V142-H145 PolarHBondContact O-N 2.81Å; V142-H145 VanDerWaalsContact O-N 3.15Å; V142-L146 HydrophobicContact CG1-CD1 4.03Å; V142-L146 HydrophobicContact CG1-CG 4.44Å; V142-L146 WeakPolarHBondContact O-CG 3.48Å; V142-L146 PolarHBondContact O-N 2.91Å; V142-L151 HydrophobicContact CG1-CD2 4.04Å; V142-L180 HydrophobicContact CB-CD1 3.8Å; V142-L180 HydrophobicContact CG1-CD1 3.61Å; V142-L180 HydrophobicContact CG1-CG 4.43Å
143L94.3Very high93.4Very high13 Ų1329 Ų297%0.06817%0.168CC..Hα-helixtrans-59.5-41.8176.3-178.162.2000112.4P139 R141 H145 L146 N147 D176 N179 L180P139-L143 VanDerWaalsContact O-CB 3.31Å; P139-L143 WeakPolarHBondContact O-CB 3.49Å; P139-L143 PolarHBondContact O-N 3.41Å; R141-L143 VanDerWaalsContact C-N 3.31Å; R141-L143 PolarHBondContact O-N 2.94Å; L143-H145 VanDerWaalsContact C-N 3.31Å; L143-H145 PolarHBondContact O-N 2.84Å; L143-L146 PolarHBondContact O-N 2.99Å; L143-N147 WeakPolarHBondContact O-CB 3.41Å; L143-N147 VanDerWaalsContact O-CG 3.3Å; L143-N147 PolarHBondContact O-N 3.31Å; L143-N147 PolarHBondContact O-ND2 3.01Å; L143-D176 HydrophobicContact CD2-CB 4.02Å; L143-N179 HydrophobicContact CD1-CB 4Å; L143-N179 HydrophobicContact CD2-CB 3.85Å; L143-L180 HydrophobicContact CD1-CB 4.47Å
144A92.5Very high93.1Very high35 Ų3534.9 Ų34.929%0.28920%0.195SC..Hα-helixtrans-60.3-40.4175.800000112.3V121 S140 R141 V142 A148V121-A144 HydrophobicContact CG2-CB 4.45Å; S140-A144 WeakPolarHBondContact O-CB 3.34Å; S140-A144 PolarHBondContact O-N 3.15Å; R141-A144 PolarHBondContact O-N 3.23Å; V142-A144 VanDerWaalsContact C-N 3.34Å; V142-A144 PolarHBondContact O-N 3.24Å; A144-A148 VanDerWaalsContact O-CB 3.26Å; A144-A148 WeakPolarHBondContact O-CB 3.5Å; A144-A148 PolarHBondContact O-N 3.35Å
145H94.1Very high92.7Very high0 Ų039.2 Ų39.20%023%0.226CC..Hα-helixtrans-70.3-35.4176-82.9-77.2000113.5V121 Q124 L128 R141 V142 L143 Q149 N150 L151V121-H145 PolarHBondContact O-CE1 3.32Å; Q124-H145 PolarHBondContact OE1-NE2 2.99Å; L128-H145 HydrophobicContact CD1-CB 4.07Å; L128-H145 WeakPolarHBondContact CD1-ND1 3.49Å; R141-H145 PolarHBondContact O-CD2 3.3Å; R141-H145 PolarHBondContact O-N 3.47Å; R141-H145 VanDerWaalsContact O-N 3.09Å; V142-H145 PolarHBondContact O-N 2.81Å; V142-H145 VanDerWaalsContact O-N 3.15Å; L143-H145 VanDerWaalsContact C-N 3.31Å; L143-H145 PolarHBondContact O-N 2.84Å; H145-Q149 PolarHBondContact O-N 3.39Å; H145-N150 HydrophobicContact CB-CB 4.37Å; H145-N150 WeakPolarHBondContact ND1-CB 3.33Å; H145-N150 PolarHBondContact O-N 3.42Å; H145-L151 HydrophobicContact CB-CB 4.1Å; H145-L151 PolarHBondContact O-N 2.96Å
146L93.4Very high92.4Very high10 Ų1040 Ų405%0.05223%0.231CC..Hα-helixtrans-64.3-47.9173.4-70.6167.8000111V142 L143 A148 Q149 L151 L153 L180 H183V142-L146 HydrophobicContact CG1-CD1 4.03Å; V142-L146 HydrophobicContact CG1-CG 4.44Å; V142-L146 WeakPolarHBondContact O-CG 3.48Å; V142-L146 PolarHBondContact O-N 2.91Å; L143-L146 PolarHBondContact O-N 2.99Å; L146-A148 VanDerWaalsContact C-N 3.32Å; L146-A148 PolarHBondContact O-N 3.47Å; L146-Q149 PolarHBondContact O-N 3.36Å; L146-L151 HydrophobicContact CD2-CB 4.23Å; L146-L151 HydrophobicContact CD2-CD2 4.23Å; L146-L151 HydrophobicContact CD2-CG 4.07Å; L146-L151 WeakPolarHBondContact CD2-O 3.31Å; L146-L151 HydrophobicContact CG-CD2 4.41Å; L146-L153 HydrophobicContact CD1-CD1 4.42Å; L146-L153 HydrophobicContact CD2-CD1 4.01Å; L146-L153 HydrophobicContact CD2-CG 3.98Å; L146-L180 HydrophobicContact CD1-CD1 4.48Å; L146-L180 HydrophobicContact CD1-CG 3.93Å; L146-H183 HydrophobicContact CD1-CB 3.98Å; L146-H183 HydrophobicContact CD2-CB 4.19Å
147N92.9Very high92.3Very high103 Ų10340.3 Ų40.355%0.55123%0.233SC*.Hα-helixtrans-63.3-37.6177.9-72.2-21.8000112.4L143 Q149L143-N147 WeakPolarHBondContact O-CB 3.41Å; L143-N147 VanDerWaalsContact O-CG 3.3Å; L143-N147 PolarHBondContact O-N 3.31Å; L143-N147 PolarHBondContact O-ND2 3.01Å; N147-Q149 PolarHBondContact O-N 3.22Å
148A91.6Very high92.2Very high50 Ų5043.1 Ų43.141%0.41325%0.246SC..THydrogen-bonded Turntrans-78.32.6175.300000113.8V121 A144 L146 N150V121-A148 HydrophobicContact CG1-CB 4.32Å; A144-A148 VanDerWaalsContact O-CB 3.26Å; A144-A148 WeakPolarHBondContact O-CB 3.5Å; A144-A148 PolarHBondContact O-N 3.35Å; L146-A148 VanDerWaalsContact C-N 3.32Å; L146-A148 PolarHBondContact O-N 3.47Å; A148-N150 WeakPolarHBondContact CB-ND2 3.25Å; A148-N150 PolarHBondContact O-N 3.03Å; A148-N150 VanDerWaalsContact O-N 3.14Å
149Q90.9Very high92.5Very high178 Ų17842.4 Ų42.483%0.83224%0.242SC*.THydrogen-bonded Turntrans56.225.6-177.5-57-178.5-15.700114.1H145 L146 N147 L151H145-Q149 PolarHBondContact O-N 3.39Å; L146-Q149 PolarHBondContact O-N 3.36Å; N147-Q149 PolarHBondContact O-N 3.22Å; Q149-L151 VanDerWaalsContact C-N 3.34Å
150N91.2Very high92.7Very high30 Ų3042.4 Ų42.416%0.1624%0.242CC..SBendtrans-83.9-15.5174-68.1-39.6000112.1V121 R125 L128 H145 A148V121-N150 VanDerWaalsContact CG1-ND2 3.31Å; V121-N150 WeakPolarHBondContact CG1-ND2 3.41Å; R125-N150 VanDerWaalsContact CD-OD1 3.31Å; R125-N150 WeakPolarHBondContact CD-OD1 3.36Å; R125-N150 WeakPolarHBondContact CG-OD1 3.24Å; L128-N150 HydrophobicContact CD1-CB 4.34Å; H145-N150 HydrophobicContact CB-CB 4.37Å; H145-N150 WeakPolarHBondContact ND1-CB 3.33Å; H145-N150 PolarHBondContact O-N 3.42Å; A148-N150 WeakPolarHBondContact CB-ND2 3.25Å; A148-N150 PolarHBondContact O-N 3.03Å; A148-N150 VanDerWaalsContact O-N 3.14Å
151L92.3Very high93Very high12 Ų1240.4 Ų40.46%0.06323%0.228CC..  trans-135.5138179.8-178.562.1000108.7V80 L128 V135 V142 H145 L146 Q149 L153V80-L151 HydrophobicContact CB-CD1 4.38Å; V80-L151 HydrophobicContact CG1-CD1 4.45Å; V80-L151 HydrophobicContact CG2-CD1 3.72Å; L128-L151 HydrophobicContact CD1-CB 4.44Å; L128-L151 HydrophobicContact CD2-CD1 4.45Å; V135-L151 HydrophobicContact CG2-CD1 4.45Å; V142-L151 HydrophobicContact CG1-CD2 4.04Å; H145-L151 HydrophobicContact CB-CB 4.1Å; H145-L151 PolarHBondContact O-N 2.96Å; L146-L151 HydrophobicContact CD2-CB 4.23Å; L146-L151 HydrophobicContact CD2-CD2 4.23Å; L146-L151 HydrophobicContact CD2-CG 4.07Å; L146-L151 WeakPolarHBondContact CD2-O 3.31Å; L146-L151 HydrophobicContact CG-CD2 4.41Å; Q149-L151 VanDerWaalsContact C-N 3.34Å; L151-L153 HydrophobicContact CD1-CD2 3.89Å; L151-L153 HydrophobicContact CD1-CG 4.45Å; L151-L153 HydrophobicContact CD2-CD1 4.11Å; L151-L153 HydrophobicContact CD2-CD2 4.21Å; L151-L153 HydrophobicContact CD2-CG 4.18Å; L151-L153 HydrophobicContact CG-CD1 4.48Å; L151-L153 HydrophobicContact CG-CD2 3.99Å; L151-L153 HydrophobicContact CG-CG 4.02Å
152A91.3Very high93.2Very high59 Ų5937.5 Ų37.549%0.48822%0.217SC..  trans-129.5125.4173.900000108.8
153L92.6Very high93Very high1 Ų137.6 Ų37.61%0.00522%0.217CC..  trans-119.8-22.4-175.5-62179.5000113.5V80 L83 L146 L151 S155 S156 L157 L184 P185V80-L153 HydrophobicContact CB-CD2 3.93Å; V80-L153 HydrophobicContact CG1-CD2 3.66Å; L83-L153 HydrophobicContact CD2-CD1 3.77Å; L146-L153 HydrophobicContact CD1-CD1 4.42Å; L146-L153 HydrophobicContact CD2-CD1 4.01Å; L146-L153 HydrophobicContact CD2-CG 3.98Å; L151-L153 HydrophobicContact CD1-CD2 3.89Å; L151-L153 HydrophobicContact CD1-CG 4.45Å; L151-L153 HydrophobicContact CD2-CD1 4.11Å; L151-L153 HydrophobicContact CD2-CD2 4.21Å; L151-L153 HydrophobicContact CD2-CG 4.18Å; L151-L153 HydrophobicContact CG-CD1 4.48Å; L151-L153 HydrophobicContact CG-CD2 3.99Å; L151-L153 HydrophobicContact CG-CG 4.02Å; L153-S155 PolarHBondContact O-N 2.81Å; L153-S156 PolarHBondContact O-N 3.41Å; L153-L157 HydrophobicContact CB-CB 4.16Å; L153-L157 HydrophobicContact CD2-CD1 4.16Å; L153-L157 VanDerWaalsContact O-CB 3.31Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 PolarHBondContact O-N 2.87Å; L153-L157 VanDerWaalsContact O-N 3.08Å; L153-L184 HydrophobicContact CB-CD2 3.99Å; L153-L184 HydrophobicContact CD1-CD2 3.72Å; L153-P185 WeakPolarHBondContact O-CD 3.28Å
154H90.5Very high92.7Very high123 Ų12338 Ų3857%0.56922%0.219SC*.THydrogen-bonded Turntrans-53.8-27.7-171.872.3-73.1000115.8H183 P185H154-H183 WeakPolarHBondContact CA-O 3.13Å; H154-H183 PolarHBondContact N-O 3.22Å; H154-P185 WeakPolarHBondContact O-CB 3.43Å
155S87.6Confident92.3Very high91 Ų9136.3 Ų36.364%0.63621%0.205SC*.THydrogen-bonded Turntrans-109.1-20.7-175.456.50000114.1L153L153-S155 PolarHBondContact O-N 2.81Å
156S90.5Very high91.6Very high17 Ų1736.7 Ų36.712%0.11921%0.207CC..THydrogen-bonded Turntrans-119.4-18.5-167.364.80000114.5V80 L153 E158V80-S156 CarbonylContact O-C 3.56Å; V80-S156 WeakPolarHBondContact O-CB 3.3Å; V80-S156 PolarHBondContact O-OG 3.39Å; L153-S156 PolarHBondContact O-N 3.41Å; S156-E158 PolarHBondContact O-N 3.3Å
157L94.7Very high90.7Very high6 Ų636.7 Ų36.73%0.03121%0.207CC..  trans-72.6123-174.9-169.879.2000110.9L83 L153 L184 P185L83-L157 HydrophobicContact CB-CD1 3.68Å; L83-L157 HydrophobicContact CB-CD2 4.35Å; L153-L157 HydrophobicContact CB-CB 4.16Å; L153-L157 HydrophobicContact CD2-CD1 4.16Å; L153-L157 VanDerWaalsContact O-CB 3.31Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 PolarHBondContact O-N 2.87Å; L153-L157 VanDerWaalsContact O-N 3.08Å; L157-L184 HydrophobicContact CD2-CD1 4.17Å; L157-L184 HydrophobicContact CD2-CD2 3.65Å; L157-L184 HydrophobicContact CD2-CG 4.38Å; L157-P185 HydrophobicContact CB-CG 3.98Å; L157-P185 WeakPolarHBondContact O-CG 3.12Å
158E94.9Very high89.9Confident59 Ų5931.8 Ų31.828%0.27618%0.181SC..  trans-105.4-28.9178.5-64.7172.7-162.100111.7R81 S156 Y188 Q189R81-E158 IonicContact CZ-OE1 3.63Å; R81-E158 IonicContact NH1-OE1 2.78Å; R81-E158 PolarHBondContact NH1-OE1 2.83Å; R81-E158 PolarHBondContact O-N 3.03Å; S156-E158 PolarHBondContact O-N 3.3Å; E158-Y188 WeakPolarHBondContact O-CA 3.42Å; E158-Q189 PolarHBondContact O-N 3.41Å
159M96.6Very high89Confident0 Ų030.8 Ų30.80%017%0.167CC..EExtended strand (participates in β ladder)trans-137.5134.6-172.8-67.8175-75.200113I64 R67 I68 R81 A82 L83 Q189 F191I64-M159 HydrophobicContact CB-CE 4.17Å; I64-M159 HydrophobicContact CB-SD 4.24Å; I64-M159 HydrophobicContact CG1-CE 4.16Å; I64-M159 HydrophobicContact CG1-SD 3.69Å; I64-M159 HydrophobicContact CG2-CE 4.01Å; R67-M159 HydrophobicContact CB-CE 3.73Å; R67-M159 HydrophobicContact CB-SD 4.17Å; R67-M159 WeakPolarHBondContact CD-SD 3.34Å; R67-M159 HydrophobicContact CG-SD 4.4Å; I68-M159 HydrophobicContact CG1-CE 4.36Å; R81-M159 PolarHBondContact O-N 3.07Å; R81-M159 VanDerWaalsContact O-N 3.09Å; A82-M159 WeakPolarHBondContact CA-O 3.32Å; A82-M159 HydrophobicContact CB-CB 4.27Å; A82-M159 HydrophobicContact CB-CE 4.39Å; L83-M159 PolarHBondContact N-O 3.07Å; M159-Q189 CarbonylContact C-O 3.49Å; M159-Q189 VanDerWaalsContact CA-O 3.29Å; M159-Q189 WeakPolarHBondContact CA-O 3.47Å; M159-Q189 HydrophobicContact CG-CB 4.33Å; M159-F191 HydrophobicContact CB-CE2 4.49Å; M159-F191 HydrophobicContact CG-CE2 4.39Å; M159-F191 HydrophobicContact SD-CE2 4.45Å
160L97.3Very high87.8Confident0 Ų024.5 Ų24.50%014%0.143CC..EExtended strand (participates in β ladder)trans-119.4131.1172.5-179.966000110L83 L85 L181 L184 Y188 Q189 S190 F191 L208L83-L160 HydrophobicContact CB-CD1 4.07Å; L83-L160 HydrophobicContact CD2-CD1 3.8Å; L83-L160 HydrophobicContact CG-CD1 3.98Å; L83-L160 CarbonylContact O-C 3.57Å; L83-L160 WeakPolarHBondContact O-CA 3.43Å; L85-L160 HydrophobicContact CD1-CD1 4.04Å; L85-L160 HydrophobicContact CG-CD1 4.12Å; L160-L181 HydrophobicContact CD2-CD2 4.34Å; L160-L184 HydrophobicContact CD1-CD1 4.47Å; L160-L184 HydrophobicContact CD2-CD1 3.89Å; L160-Y188 HydrophobicContact CB-CD2 3.76Å; L160-Y188 HydrophobicContact CB-CE2 3.79Å; L160-Y188 HydrophobicContact CD2-CE2 3.75Å; L160-Y188 HydrophobicContact CG-CE2 4.43Å; L160-Q189 PolarHBondContact N-O 3.19Å; L160-S190 CarbonylContact O-C 3.54Å; L160-S190 VanDerWaalsContact O-CA 3.3Å; L160-S190 WeakPolarHBondContact O-CA 3.49Å; L160-F191 PolarHBondContact O-N 3.09Å; L160-L208 HydrophobicContact CD2-CD2 4.04Å
161V97Very high86.5Confident0 Ų023.8 Ų23.80%014%0.139CC..EExtended strand (participates in β ladder)trans-119.3139170.9-177.80000109Y60 I64 L83 I84 L85 F191Y60-V161 HydrophobicContact CD1-CG1 3.95Å; Y60-V161 HydrophobicContact CD2-CG1 3.97Å; Y60-V161 HydrophobicContact CD2-CG2 3.94Å; Y60-V161 HydrophobicContact CE1-CG1 4.02Å; Y60-V161 HydrophobicContact CE2-CG1 4.12Å; Y60-V161 HydrophobicContact CG-CG1 3.9Å; Y60-V161 HydrophobicContact CG-CG2 4.18Å; I64-V161 HydrophobicContact CD1-CG2 3.49Å; I64-V161 VanDerWaalsContact CD1-CG2 3.49Å; L83-V161 PolarHBondContact O-N 2.99Å; I84-V161 HydrophobicContact CB-CB 4.34Å; I84-V161 HydrophobicContact CG1-CB 4.04Å; I84-V161 HydrophobicContact CG1-CG2 4.12Å; I84-V161 HydrophobicContact CG2-CB 4.11Å; I84-V161 HydrophobicContact CG2-CG1 4.21Å; L85-V161 PolarHBondContact N-O 3.42Å; V161-F191 CarbonylContact C-O 3.55Å; V161-F191 WeakPolarHBondContact CA-O 3.26Å; V161-F191 HydrophobicContact CB-CB 4.42Å; V161-F191 HydrophobicContact CG1-CB 4.27Å; V161-F191 HydrophobicContact CG2-CB 4.08Å; V161-F191 HydrophobicContact CG2-CD2 3.73Å; V161-F191 HydrophobicContact CG2-CG 4.27Å
162V95.3Very high85.5Confident0 Ų024.7 Ų24.70%015%0.151CC..EExtended strand (participates in β ladder)trans-120.6109.1165.1-178.60000107.8L85 A165 V168 F191 L192 M193 L208L85-V162 HydrophobicContact CB-CG2 4.23Å; L85-V162 HydrophobicContact CD1-CG2 4.2Å; V162-A165 HydrophobicContact CG1-CB 4.03Å; V162-V168 HydrophobicContact CG1-CG2 3.69Å; V162-F191 PolarHBondContact N-O 3.25Å; V162-L192 HydrophobicContact CB-CD2 3.62Å; V162-L192 HydrophobicContact CG1-CD2 3.92Å; V162-L192 HydrophobicContact CG2-CD2 4.24Å; V162-M193 PolarHBondContact O-N 3.21Å; V162-L208 HydrophobicContact CG2-CD1 3.63Å
163D92.3Very high85Confident2 Ų223 Ų231%0.01113%0.133CC..SBendtrans-96.3144.4179.8-156.3-1.1000111.1Y60 L85 V86 P87 A165Y60-D163 HydrophobicContact CE1-CB 4.31Å; Y60-D163 WeakPolarHBondContact CE1-OD2 3.5Å; Y60-D163 PolarHBondContact OH-OD2 2.88Å; L85-D163 PolarHBondContact O-N 3.05Å; V86-D163 HydrophobicContact CG1-CB 4.34Å; P87-D163 WeakPolarHBondContact CD-O 3.07Å; D163-A165 PolarHBondContact O-N 2.87Å
164E86.9Confident84.6Confident21 Ų2127.1 Ų27.110%0.09815%0.152CC..SBendtrans46.156.4-168.5-56.4-67-168.100112.2T52 K56 P87 L91 D166 L167 M193T52-E164 PolarHBondContact OG1-OE1 3.21Å; K56-E164 IonicContact NZ-OE1 2.83Å; K56-E164 PolarHBondContact NZ-OE1 3.46Å; K56-E164 IonicContact NZ-OE2 3.62Å; K56-E164 PolarHBondContact NZ-OE2 2.97Å; P87-E164 HydrophobicContact CG-CB 4.06Å; L91-E164 HydrophobicContact CD2-CB 4.22Å; L91-E164 HydrophobicContact CD2-CG 3.73Å; E164-D166 VanDerWaalsContact C-N 3.27Å; E164-D166 PolarHBondContact O-N 3.48Å; E164-L167 HydrophobicContact CB-CB 4.49Å; E164-L167 HydrophobicContact CB-CD1 3.88Å; E164-L167 HydrophobicContact CB-CG 4.03Å; E164-L167 VanDerWaalsContact O-CB 3.27Å; E164-L167 WeakPolarHBondContact O-CB 3.35Å; E164-L167 PolarHBondContact O-N 2.86Å; E164-M193 WeakPolarHBondContact CA-O 3.28Å; E164-M193 PolarHBondContact N-O 3Å
165A85Confident84.4Confident0 Ų024.4 Ų24.40%015%0.147CC..Hα-helixtrans-60.5-30.5-172.700000114.3V162 D163 L167 V168 L192 M193 V201 L204V162-A165 HydrophobicContact CG1-CB 4.03Å; D163-A165 PolarHBondContact O-N 2.87Å; A165-L167 PolarHBondContact O-N 2.9Å; A165-V168 PolarHBondContact O-N 3.24Å; A165-V168 VanDerWaalsContact O-N 3.14Å; A165-L192 HydrophobicContact CB-CD2 3.56Å; A165-M193 PolarHBondContact N-O 3.37Å; A165-V201 HydrophobicContact CB-CG2 4.28Å; A165-L204 HydrophobicContact CB-CD1 3.99Å; A165-L204 VanDerWaalsContact O-CD1 3.27Å; A165-L204 WeakPolarHBondContact O-CD1 3.38Å
166D78.3Confident84.5Confident8 Ų821.9 Ų21.94%0.04313%0.126CC..Hα-helixtrans-60.5-21.9173.556.6-17.8000113.2E164 S170 S194 T196 V201E164-D166 VanDerWaalsContact C-N 3.27Å; E164-D166 PolarHBondContact O-N 3.48Å; D166-S170 PolarHBondContact O-OG 2.86Å; D166-S170 VanDerWaalsContact O-OG 3.13Å; D166-S194 WeakPolarHBondContact CB-OG 3.37Å; D166-T196 WeakPolarHBondContact CB-OG1 3.23Å; D166-T196 PolarHBondContact OD2-OG1 2.96Å; D166-V201 HydrophobicContact CB-CG2 3.82Å
167L74.9Confident84.5Confident10 Ų1021.1 Ų21.15%0.05212%0.12CC..Hα-helixtrans-88.1-27.9177.7-53.3-168.3000112.5P87 E164 A165 F169 S170 F171 R348P87-L167 HydrophobicContact CB-CB 3.89Å; P87-L167 HydrophobicContact CG-CB 3.93Å; P87-L167 HydrophobicContact CG-CD1 4.14Å; E164-L167 HydrophobicContact CB-CB 4.49Å; E164-L167 HydrophobicContact CB-CD1 3.88Å; E164-L167 HydrophobicContact CB-CG 4.03Å; E164-L167 VanDerWaalsContact O-CB 3.27Å; E164-L167 WeakPolarHBondContact O-CB 3.35Å; E164-L167 PolarHBondContact O-N 2.86Å; A165-L167 PolarHBondContact O-N 2.9Å; L167-F169 VanDerWaalsContact C-N 3.33Å; L167-F169 PolarHBondContact O-N 2.65Å; L167-S170 WeakPolarHBondContact O-CA 3.09Å; L167-S170 WeakPolarHBondContact O-CB 3.16Å; L167-S170 PolarHBondContact O-N 2.81Å; L167-F171 HydrophobicContact CB-CD2 4.07Å; L167-F171 HydrophobicContact CB-CE2 3.76Å; L167-F171 HydrophobicContact CD1-CE2 4.42Å; L167-F171 WeakPolarHBondContact O-CD2 3.31Å; L167-F171 PolarHBondContact O-N 3.01Å; L167-R348 HydrophobicContact CD1-CB 3.66Å; L167-R348 HydrophobicContact CD2-CB 4.16Å; L167-R348 HydrophobicContact CD2-CG 4.39Å; L167-R348 VanDerWaalsContact CD2-NH1 3.34Å
168V76.4Confident84.3Confident1 Ų125.4 Ų25.41%0.00614%0.139CC..Hα-helixtrans-57.5-44.4-170.8176.50000112.3P139 V162 A165 F173 L204P139-V168 HydrophobicContact CG-CG1 4.42Å; V162-V168 HydrophobicContact CG1-CG2 3.69Å; A165-V168 PolarHBondContact O-N 3.24Å; A165-V168 VanDerWaalsContact O-N 3.14Å; V168-F173 HydrophobicContact CG1-CB 3.93Å; V168-F173 HydrophobicContact CG1-CD2 4.39Å; V168-F173 WeakPolarHBondContact O-CB 3.23Å; V168-F173 PolarHBondContact O-N 2.92Å; V168-L204 HydrophobicContact CB-CD1 4.32Å
169F73.5Confident84.2Confident28 Ų2826.8 Ų26.812%0.12315%0.148CC..Hα-helixtrans-76.9-33176.7-74.97.2000112.8L167 F171 G172 E174 L177 D200 A203 L204L167-F169 VanDerWaalsContact C-N 3.33Å; L167-F169 PolarHBondContact O-N 2.65Å; F169-F171 PolarHBondContact O-N 3.43Å; F169-F171 VanDerWaalsContact O-N 3.13Å; F169-G172 PolarHBondContact O-N 3.2Å; F169-E174 HydrophobicContact CD1-CB 4.04Å; F169-E174 HydrophobicContact CD1-CG 4.29Å; F169-E174 HydrophobicContact CE1-CB 4.03Å; F169-E174 HydrophobicContact CE1-CG 3.88Å; F169-E174 HydrophobicContact CE2-CG 4.32Å; F169-E174 HydrophobicContact CZ-CG 3.91Å; F169-L177 HydrophobicContact CE1-CD2 4.27Å; F169-D200 HydrophobicContact CB-CB 3.97Å; F169-D200 HydrophobicContact CD2-CB 3.65Å; F169-D200 HydrophobicContact CG-CB 4.15Å; F169-A203 HydrophobicContact CE2-CB 3.9Å; F169-L204 HydrophobicContact CD1-CD1 4.31Å; F169-L204 HydrophobicContact CD1-CD2 4.13Å; F169-L204 HydrophobicContact CD1-CG 4.22Å; F169-L204 HydrophobicContact CE1-CD1 4.22Å; F169-L204 HydrophobicContact CE1-CD2 3.3Å; F169-L204 HydrophobicContact CE1-CG 3.67Å; F169-L204 HydrophobicContact CE2-CD2 4.48Å; F169-L204 HydrophobicContact CE2-CG 4.1Å; F169-L204 HydrophobicContact CZ-CD1 4.5Å; F169-L204 HydrophobicContact CZ-CD2 3.51Å; F169-L204 HydrophobicContact CZ-CG 3.59Å
170S65.5Low84.1Confident46 Ų4626.8 Ų26.832%0.32215%0.148SC..Hα-helixtrans-58.7-25.5173.8-62.50000112.7D166 L167D166-S170 PolarHBondContact O-OG 2.86Å; D166-S170 VanDerWaalsContact O-OG 3.13Å; L167-S170 WeakPolarHBondContact O-CA 3.09Å; L167-S170 WeakPolarHBondContact O-CB 3.16Å; L167-S170 PolarHBondContact O-N 2.81Å
171F63.8Low83.8Confident16 Ų1628.3 Ų28.37%0.0716%0.156CC..THydrogen-bonded Turntrans-90.1-2.3176-80.7-116.7000114.1P87 T88 L167 F169 F173 G345 V346P87-F171 HydrophobicContact CB-CD2 4.2Å; P87-F171 HydrophobicContact CB-CE1 4.26Å; P87-F171 HydrophobicContact CB-CE2 3.91Å; P87-F171 HydrophobicContact CB-CG 4.44Å; P87-F171 HydrophobicContact CB-CZ 3.91Å; P87-F171 VanDerWaalsContact O-CE1 3.28Å; P87-F171 WeakPolarHBondContact O-CE1 3.33Å; T88-F171 HydrophobicContact CG2-CE1 3.42Å; T88-F171 VanDerWaalsContact CG2-CE1 3.42Å; T88-F171 HydrophobicContact CG2-CZ 3.38Å; L167-F171 HydrophobicContact CB-CD2 4.07Å; L167-F171 HydrophobicContact CB-CE2 3.76Å; L167-F171 HydrophobicContact CD1-CE2 4.42Å; L167-F171 WeakPolarHBondContact O-CD2 3.31Å; L167-F171 PolarHBondContact O-N 3.01Å; F169-F171 PolarHBondContact O-N 3.43Å; F169-F171 VanDerWaalsContact O-N 3.13Å; F171-F173 HydrophobicContact CB-CD2 3.52Å; F171-F173 HydrophobicContact CB-CE2 3.4Å; F171-F173 HydrophobicContact CB-CG 4.27Å; F171-F173 HydrophobicContact CB-CZ 4.07Å; F171-F173 AromaticContact CD1-CE2 3.72Å; F171-F173 HydrophobicContact CD1-CE2 3.72Å; F171-F173 HydrophobicContact CD1-CZ 4.09Å; F171-F173 HydrophobicContact CG-CD2 4.34Å; F171-F173 AromaticContact CG-CE2 3.85Å; F171-F173 HydrophobicContact CG-CE2 3.85Å; F171-G345 WeakPolarHBondContact CE2-O 3.36Å; F171-G345 WeakPolarHBondContact CZ-O 3.33Å; F171-V346 HydrophobicContact CD1-CB 4.22Å; F171-V346 HydrophobicContact CD1-CG2 3.59Å; F171-V346 HydrophobicContact CE1-CB 3.67Å; F171-V346 HydrophobicContact CE1-CG1 3.87Å; F171-V346 HydrophobicContact CE1-CG2 3.57Å; F171-V346 HydrophobicContact CZ-CB 4.29Å
172G70.8Confident83.6Confident31 Ų3133.4 Ų33.432%0.3219%0.191SC..THydrogen-bonded Turntrans76.318.2-178.900000114.8F169 E174F169-G172 PolarHBondContact O-N 3.2Å; G172-E174 PolarHBondContact O-N 3.45Å
173F81.4Confident83.5Confident24 Ų2436.7 Ų36.711%0.10521%0.206CC..THydrogen-bonded Turntrans-776.7178.5-62.9-49.1000114.4P87 P139 S140 V168 F171 S175 D176 L177P87-F173 WeakPolarHBondContact O-CE2 3.44Å; P139-F173 HydrophobicContact CB-CB 3.95Å; P139-F173 HydrophobicContact CB-CD1 4.33Å; P139-F173 HydrophobicContact CB-CG 4.1Å; P139-F173 HydrophobicContact CG-CB 3.89Å; P139-F173 HydrophobicContact CG-CD1 4.5Å; P139-F173 HydrophobicContact CG-CD2 4.02Å; P139-F173 HydrophobicContact CG-CG 3.9Å; S140-F173 WeakPolarHBondContact OG-CD1 3.44Å; S140-F173 WeakPolarHBondContact OG-CE1 3.47Å; V168-F173 HydrophobicContact CG1-CB 3.93Å; V168-F173 HydrophobicContact CG1-CD2 4.39Å; V168-F173 WeakPolarHBondContact O-CB 3.23Å; V168-F173 PolarHBondContact O-N 2.92Å; F171-F173 HydrophobicContact CB-CD2 3.52Å; F171-F173 HydrophobicContact CB-CE2 3.4Å; F171-F173 HydrophobicContact CB-CG 4.27Å; F171-F173 HydrophobicContact CB-CZ 4.07Å; F171-F173 AromaticContact CD1-CE2 3.72Å; F171-F173 HydrophobicContact CD1-CE2 3.72Å; F171-F173 HydrophobicContact CD1-CZ 4.09Å; F171-F173 HydrophobicContact CG-CD2 4.34Å; F171-F173 AromaticContact CG-CE2 3.85Å; F171-F173 HydrophobicContact CG-CE2 3.85Å; F173-S175 PolarHBondContact O-N 3.47Å; F173-D176 PolarHBondContact O-N 3.08Å; F173-L177 WeakPolarHBondContact O-CB 3.49Å; F173-L177 PolarHBondContact O-N 2.77Å
174E83.1Confident83.5Confident86 Ų8637.5 Ų37.540%0.40221%0.21SC..Hα-helixtrans-57.2-48.2-175.9-171-166157.500112.6F169 G172 K178F169-E174 HydrophobicContact CD1-CB 4.04Å; F169-E174 HydrophobicContact CD1-CG 4.29Å; F169-E174 HydrophobicContact CE1-CB 4.03Å; F169-E174 HydrophobicContact CE1-CG 3.88Å; F169-E174 HydrophobicContact CE2-CG 4.32Å; F169-E174 HydrophobicContact CZ-CG 3.91Å; G172-E174 PolarHBondContact O-N 3.45Å; E174-K178 HydrophobicContact CG-CD 4.47Å; E174-K178 WeakPolarHBondContact O-CG 3.32Å; E174-K178 PolarHBondContact O-N 3.19Å; E174-K178 VanDerWaalsContact O-N 3.07Å; E174-K178 IonicContact OE1-NZ 3.28Å; E174-K178 PolarHBondContact OE1-NZ 3.36Å
175S86.1Confident83.8Confident67 Ų6737.6 Ų37.647%0.46921%0.213SC..Hα-helixtrans-65.7-40.7178.353.90000112F173 L177 K178 N179F173-S175 PolarHBondContact O-N 3.47Å; S175-L177 VanDerWaalsContact C-N 3.34Å; S175-K178 PolarHBondContact O-N 2.86Å; S175-N179 VanDerWaalsContact O-CG 3.26Å; S175-N179 PolarHBondContact O-N 3.49Å; S175-N179 PolarHBondContact O-ND2 2.89Å; S175-N179 VanDerWaalsContact O-ND2 3.16Å
176D90Very high84Confident37 Ų3747.3 Ų47.320%0.19826%0.255CS..Hα-helixtrans-67.6-40.1-177.8-64-18000110.7P139 S140 L143 F173 N179 L180P139-D176 HydrophobicContact CB-CB 4.32Å; S140-D176 VanDerWaalsContact CB-OD2 3.32Å; S140-D176 WeakPolarHBondContact CB-OD2 3.48Å; S140-D176 PolarHBondContact OG-OD2 2.83Å; L143-D176 HydrophobicContact CD2-CB 4.02Å; F173-D176 PolarHBondContact O-N 3.08Å; D176-N179 PolarHBondContact O-N 3.24Å; D176-L180 VanDerWaalsContact O-CB 3.23Å; D176-L180 WeakPolarHBondContact O-CB 3.34Å; D176-L180 PolarHBondContact O-N 2.95Å
177L90.8Very high84.6Confident1 Ų154.2 Ų54.21%0.00529%0.29CS..Hα-helixtrans-64.2-48.7175.5-173.568.5000110.9L85 F169 F173 S175 N179 L180 L181 L204 L207 L208L85-L177 HydrophobicContact CD1-CD1 3.48Å; L85-L177 VanDerWaalsContact CD1-CD1 3.48Å; F169-L177 HydrophobicContact CE1-CD2 4.27Å; F173-L177 WeakPolarHBondContact O-CB 3.49Å; F173-L177 PolarHBondContact O-N 2.77Å; S175-L177 VanDerWaalsContact C-N 3.34Å; L177-N179 VanDerWaalsContact C-N 3.28Å; L177-N179 PolarHBondContact O-N 2.84Å; L177-L180 WeakPolarHBondContact O-CB 3.48Å; L177-L180 PolarHBondContact O-N 2.85Å; L177-L180 VanDerWaalsContact O-N 3.09Å; L177-L181 VanDerWaalsContact O-CG 3.32Å; L177-L181 WeakPolarHBondContact O-CG 3.32Å; L177-L181 PolarHBondContact O-N 2.86Å; L177-L204 HydrophobicContact CD2-CD2 3.24Å; L177-L207 HydrophobicContact CD2-CD2 4.2Å; L177-L208 HydrophobicContact CD2-CD1 4.27Å
178K90.8Very high85.6Confident97 Ų9755.3 Ų55.342%0.42229%0.294SS..Hα-helixtrans-55.8-43.1177.2-76.5172.8174.8170.90112E174 S175 L207E174-K178 HydrophobicContact CG-CD 4.47Å; E174-K178 WeakPolarHBondContact O-CG 3.32Å; E174-K178 PolarHBondContact O-N 3.19Å; E174-K178 VanDerWaalsContact O-N 3.07Å; E174-K178 IonicContact OE1-NZ 3.28Å; E174-K178 PolarHBondContact OE1-NZ 3.36Å; S175-K178 PolarHBondContact O-N 2.86Å; K178-L207 HydrophobicContact CG-CD2 4.18Å
179N92.9Very high86.5Confident87 Ų8755.7 Ų55.747%0.46530%0.296SS..Hα-helixtrans-68.9-39.2176.6-68.3-28.6000112.3L143 S175 D176 L177 L181 C182 H183L143-N179 HydrophobicContact CD1-CB 4Å; L143-N179 HydrophobicContact CD2-CB 3.85Å; S175-N179 VanDerWaalsContact O-CG 3.26Å; S175-N179 PolarHBondContact O-N 3.49Å; S175-N179 PolarHBondContact O-ND2 2.89Å; S175-N179 VanDerWaalsContact O-ND2 3.16Å; D176-N179 PolarHBondContact O-N 3.24Å; L177-N179 VanDerWaalsContact C-N 3.28Å; L177-N179 PolarHBondContact O-N 2.84Å; N179-L181 VanDerWaalsContact C-N 3.3Å; N179-L181 PolarHBondContact O-N 3.36Å; N179-C182 WeakPolarHBondContact O-CB 3.37Å; N179-C182 PolarHBondContact O-N 3.14Å; N179-H183 PolarHBondContact O-CD2 3.19Å
180L93.4Very high87.6Confident0 Ų054.4 Ų54.40%029%0.29CS..Hα-helixtrans-60.5-40.6177.2-177.8157.5000111.4L83 L85 V142 L143 L146 D176 L177 C182 H183 L184L83-L180 HydrophobicContact CD2-CD2 4.18Å; L85-L180 HydrophobicContact CD1-CD1 4.31Å; L85-L180 HydrophobicContact CD1-CD2 4.49Å; L85-L180 HydrophobicContact CD2-CD1 4.08Å; V142-L180 HydrophobicContact CB-CD1 3.8Å; V142-L180 HydrophobicContact CG1-CD1 3.61Å; V142-L180 HydrophobicContact CG1-CG 4.43Å; L143-L180 HydrophobicContact CD1-CB 4.47Å; L146-L180 HydrophobicContact CD1-CD1 4.48Å; L146-L180 HydrophobicContact CD1-CG 3.93Å; D176-L180 VanDerWaalsContact O-CB 3.23Å; D176-L180 WeakPolarHBondContact O-CB 3.34Å; D176-L180 PolarHBondContact O-N 2.95Å; L177-L180 WeakPolarHBondContact O-CB 3.48Å; L177-L180 PolarHBondContact O-N 2.85Å; L177-L180 VanDerWaalsContact O-N 3.09Å; L180-C182 PolarHBondContact O-N 3.44Å; L180-H183 WeakPolarHBondContact O-CB 3.4Å; L180-H183 PolarHBondContact O-N 3.23Å; L180-L184 HydrophobicContact CD2-CD1 3.93Å; L180-L184 HydrophobicContact CD2-CD2 3.99Å; L180-L184 HydrophobicContact CD2-CG 4Å
181L91.8Very high89.1Confident32 Ų3252.2 Ų52.217%0.16828%0.275CS..Hα-helixtrans-60-27.7179.1-65.9176.1000113.4L160 L177 N179 H183 L184 L207 L208L160-L181 HydrophobicContact CD2-CD2 4.34Å; L177-L181 VanDerWaalsContact O-CG 3.32Å; L177-L181 WeakPolarHBondContact O-CG 3.32Å; L177-L181 PolarHBondContact O-N 2.86Å; N179-L181 VanDerWaalsContact C-N 3.3Å; N179-L181 PolarHBondContact O-N 3.36Å; L181-H183 PolarHBondContact O-N 3.26Å; L181-L184 HydrophobicContact CD2-CD1 3.66Å; L181-L184 HydrophobicContact CD2-CG 4.45Å; L181-L184 PolarHBondContact O-N 2.98Å; L181-L207 HydrophobicContact CD1-CD1 3.93Å; L181-L207 HydrophobicContact CD1-CD2 3.79Å; L181-L207 HydrophobicContact CD1-CG 3.57Å; L181-L208 HydrophobicContact CD1-CD2 3.67Å; L181-L208 HydrophobicContact CD2-CD2 3.42Å; L181-L208 VanDerWaalsContact CD2-CD2 3.42Å; L181-L208 HydrophobicContact CG-CD2 4.08Å
182C92Very high90.5Very high107 Ų10751.5 Ų51.572%0.72327%0.271SS*.THydrogen-bonded Turntrans-65.2-17.9174.9-59.40000113.5N179 L180N179-C182 WeakPolarHBondContact O-CB 3.37Å; N179-C182 PolarHBondContact O-N 3.14Å; L180-C182 PolarHBondContact O-N 3.44Å
183H93.1Very high91.5Very high70 Ų7050.1 Ų50.132%0.32426%0.257SS..THydrogen-bonded Turntrans-98.2-2.3178.4-64-83.1000113.7L146 H154 N179 L180 L181L146-H183 HydrophobicContact CD1-CB 3.98Å; L146-H183 HydrophobicContact CD2-CB 4.19Å; H154-H183 WeakPolarHBondContact CA-O 3.13Å; H154-H183 PolarHBondContact N-O 3.22Å; N179-H183 PolarHBondContact O-CD2 3.19Å; L180-H183 WeakPolarHBondContact O-CB 3.4Å; L180-H183 PolarHBondContact O-N 3.23Å; L181-H183 PolarHBondContact O-N 3.26Å
184L93.7Very high91.8Very high18 Ų1849 Ų499%0.09425%0.252CS..SBendtrans-90155-178.6-59.9-164.3000111.8L153 L157 L160 L180 L181 Y188L153-L184 HydrophobicContact CB-CD2 3.99Å; L153-L184 HydrophobicContact CD1-CD2 3.72Å; L157-L184 HydrophobicContact CD2-CD1 4.17Å; L157-L184 HydrophobicContact CD2-CD2 3.65Å; L157-L184 HydrophobicContact CD2-CG 4.38Å; L160-L184 HydrophobicContact CD1-CD1 4.47Å; L160-L184 HydrophobicContact CD2-CD1 3.89Å; L180-L184 HydrophobicContact CD2-CD1 3.93Å; L180-L184 HydrophobicContact CD2-CD2 3.99Å; L180-L184 HydrophobicContact CD2-CG 4Å; L181-L184 HydrophobicContact CD2-CD1 3.66Å; L181-L184 HydrophobicContact CD2-CG 4.45Å; L181-L184 PolarHBondContact O-N 2.98Å; L184-Y188 HydrophobicContact CB-CE1 4.34Å; L184-Y188 HydrophobicContact CD1-CE1 4.43Å
185P93.4Very high91.6Very high24 Ų2446.1 Ų46.116%0.15624%0.243CC..  trans-63.5162.6171.721.7-27.1000111.6L153 H154 L157 I187 Y188L153-P185 WeakPolarHBondContact O-CD 3.28Å; H154-P185 WeakPolarHBondContact O-CB 3.43Å; L157-P185 HydrophobicContact CB-CG 3.98Å; L157-P185 WeakPolarHBondContact O-CG 3.12Å; P185-I187 VanDerWaalsContact C-N 3.31Å; P185-Y188 HydrophobicContact CG-CD1 4.44Å; P185-Y188 VanDerWaalsContact O-CD1 3.23Å; P185-Y188 WeakPolarHBondContact O-CD1 3.45Å; P185-Y188 WeakPolarHBondContact O-CE1 3.4Å
186K88.3Confident91Very high203 Ų20344.1 Ų44.188%0.88323%0.228SC*.SBendtrans-71.8-25.3176.3-67.1-175179.5-179.70113.7
187I91.6Very high90.4Very high153 Ų15345.8 Ų45.879%0.78523%0.233SC*.SBendtrans-124.9112.8-175.1-55.8174.2000107P185P185-I187 VanDerWaalsContact C-N 3.31Å
188Y94.3Very high89.7Confident34 Ų3448 Ų4813%0.13325%0.245CC..  trans-152.9157.8171.359-88.2000108.2E158 L160 L184 P185E158-Y188 WeakPolarHBondContact O-CA 3.42Å; L160-Y188 HydrophobicContact CB-CD2 3.76Å; L160-Y188 HydrophobicContact CB-CE2 3.79Å; L160-Y188 HydrophobicContact CD2-CE2 3.75Å; L160-Y188 HydrophobicContact CG-CE2 4.43Å; L184-Y188 HydrophobicContact CB-CE1 4.34Å; L184-Y188 HydrophobicContact CD1-CE1 4.43Å; P185-Y188 HydrophobicContact CG-CD1 4.44Å; P185-Y188 VanDerWaalsContact O-CD1 3.23Å; P185-Y188 WeakPolarHBondContact O-CD1 3.45Å; P185-Y188 WeakPolarHBondContact O-CE1 3.4Å
189Q96.4Very high89.1Confident9 Ų951.8 Ų51.84%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-87.8139.3170.4-177.1-175.521.300109.6A40 G43 K44 D45 E158 M159 L160 F191A40-Q189 PolarHBondContact O-NE2 2.88Å; G43-Q189 VanDerWaalsContact C-NE2 3.33Å; K44-Q189 PolarHBondContact O-NE2 3.42Å; D45-Q189 WeakPolarHBondContact OD1-CA 3.35Å; E158-Q189 PolarHBondContact O-N 3.41Å; M159-Q189 CarbonylContact C-O 3.49Å; M159-Q189 VanDerWaalsContact CA-O 3.29Å; M159-Q189 WeakPolarHBondContact CA-O 3.47Å; M159-Q189 HydrophobicContact CG-CB 4.33Å; L160-Q189 PolarHBondContact N-O 3.19Å; Q189-F191 HydrophobicContact CG-CE1 4.46Å; Q189-F191 HydrophobicContact CG-CE2 4.03Å; Q189-F191 HydrophobicContact CG-CZ 3.86Å; Q189-F191 VanDerWaalsContact NE2-CZ 3.33Å
190S96.3Very high88.4Confident0 Ų050.4 Ų50.40%026%0.257CS..EExtended strand (participates in β ladder)trans-126.3140-174-165.90000112.9D45 L46 L160 L208 L209D45-S190 VanDerWaalsContact CA-O 3.3Å; D45-S190 WeakPolarHBondContact CA-O 3.46Å; D45-S190 PolarHBondContact OD1-N 3.19Å; L46-S190 PolarHBondContact N-O 2.94Å; L160-S190 CarbonylContact O-C 3.54Å; L160-S190 VanDerWaalsContact O-CA 3.3Å; L160-S190 WeakPolarHBondContact O-CA 3.49Å; S190-L208 WeakPolarHBondContact CB-O 3.45Å; S190-L208 PolarHBondContact OG-O 2.96Å; S190-L209 VanDerWaalsContact CB-CD2 3.42Å; S190-L209 WeakPolarHBondContact O-CD2 3.42Å; S190-L209 VanDerWaalsContact OG-CD2 3.31Å; S190-L209 WeakPolarHBondContact OG-CD2 3.38Å
191F96.4Very high88Confident1 Ų150.4 Ų50.40%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-125.5121.8-179.9-55.1-84.5000110.3A40 L46 M159 L160 V161 V162 Q189A40-F191 HydrophobicContact CB-CE1 3.53Å; A40-F191 HydrophobicContact CB-CZ 3.9Å; L46-F191 HydrophobicContact CB-CD1 3.9Å; L46-F191 HydrophobicContact CB-CE1 4.47Å; L46-F191 HydrophobicContact CD1-CD1 3.83Å; L46-F191 HydrophobicContact CD1-CE1 3.77Å; L46-F191 HydrophobicContact CG-CD1 3.91Å; L46-F191 HydrophobicContact CG-CE1 3.98Å; L46-F191 WeakPolarHBondContact O-CA 3.22Å; M159-F191 HydrophobicContact CB-CE2 4.49Å; M159-F191 HydrophobicContact CG-CE2 4.39Å; M159-F191 HydrophobicContact SD-CE2 4.45Å; L160-F191 PolarHBondContact O-N 3.09Å; V161-F191 CarbonylContact C-O 3.55Å; V161-F191 WeakPolarHBondContact CA-O 3.26Å; V161-F191 HydrophobicContact CB-CB 4.42Å; V161-F191 HydrophobicContact CG1-CB 4.27Å; V161-F191 HydrophobicContact CG2-CB 4.08Å; V161-F191 HydrophobicContact CG2-CD2 3.73Å; V161-F191 HydrophobicContact CG2-CG 4.27Å; V162-F191 PolarHBondContact N-O 3.25Å; Q189-F191 HydrophobicContact CG-CE1 4.46Å; Q189-F191 HydrophobicContact CG-CE2 4.03Å; Q189-F191 HydrophobicContact CG-CZ 3.86Å; Q189-F191 VanDerWaalsContact NE2-CZ 3.33Å
192L94.5Very high87.7Confident0 Ų051.7 Ų51.70%026%0.262CS..EExtended strand (participates in β ladder)trans-108115.9168.7-82.4168.8000109.9L46 L47 A48 V162 A165 L204 K205 L208 L209L46-L192 PolarHBondContact O-N 3.41Å; L47-L192 WeakPolarHBondContact CA-O 3.26Å; L47-L192 HydrophobicContact CD1-CB 3.51Å; L47-L192 HydrophobicContact CD1-CD1 4.28Å; A48-L192 PolarHBondContact N-O 3.31Å; V162-L192 HydrophobicContact CB-CD2 3.62Å; V162-L192 HydrophobicContact CG1-CD2 3.92Å; V162-L192 HydrophobicContact CG2-CD2 4.24Å; A165-L192 HydrophobicContact CB-CD2 3.56Å; L192-L204 HydrophobicContact CD1-CB 4.12Å; L192-L204 HydrophobicContact CD2-CB 4.19Å; L192-K205 HydrophobicContact CD1-CB 4.24Å; L192-L208 HydrophobicContact CD1-CD1 4.47Å; L192-L208 HydrophobicContact CD2-CD1 3.98Å; L192-L208 HydrophobicContact CG-CD1 4.4Å; L192-L209 HydrophobicContact CB-CD1 4.16Å; L192-L209 HydrophobicContact CD1-CD1 3.68Å; L192-L209 HydrophobicContact CD1-CD2 4.22Å; L192-L209 HydrophobicContact CD1-CG 3.69Å; L192-L209 HydrophobicContact CG-CD1 4.19Å; L192-L209 HydrophobicContact CG-CD2 4.24Å; L192-L209 HydrophobicContact CG-CG 4.24Å
193M92.1Very high87.4Confident3 Ų348.8 Ų48.82%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-109.4126175.8-51.4-60.5-67.800109.2I32 A48 K56 A59 Y60 V162 E164 A165I32-M193 HydrophobicContact CD1-CE 4.43Å; I32-M193 HydrophobicContact CG1-CE 4.25Å; A48-M193 HydrophobicContact CB-CE 3.65Å; A48-M193 HydrophobicContact CB-SD 3.65Å; K56-M193 HydrophobicContact CB-CE 3.7Å; K56-M193 HydrophobicContact CD-CB 4.47Å; K56-M193 HydrophobicContact CD-CE 4.44Å; K56-M193 HydrophobicContact CG-CE 3.9Å; A59-M193 HydrophobicContact CB-CE 4.49Å; Y60-M193 HydrophobicContact CD1-CG 3.69Å; Y60-M193 HydrophobicContact CD1-SD 4.34Å; Y60-M193 HydrophobicContact CE1-CG 4.07Å; V162-M193 PolarHBondContact O-N 3.21Å; E164-M193 WeakPolarHBondContact CA-O 3.28Å; E164-M193 PolarHBondContact N-O 3Å; A165-M193 PolarHBondContact N-O 3.37Å
194S86.4Confident87.2Confident1 Ų145.4 Ų45.41%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-146.1149.3-179.7-175.60000112A48 R49 A50 D166 T196A48-S194 PolarHBondContact O-N 3.05Å; R49-S194 VanDerWaalsContact CA-O 3.29Å; R49-S194 WeakPolarHBondContact CA-O 3.31Å; A50-S194 PolarHBondContact N-O 2.72Å; D166-S194 WeakPolarHBondContact CB-OG 3.37Å; S194-T196 WeakPolarHBondContact CB-O 3.43Å; S194-T196 PolarHBondContact OG-N 3.26Å; S194-T196 PolarHBondContact OG-O 3.06Å
195A79.7Confident87.1Confident25 Ų2547 Ų4721%0.20724%0.236CC..SBendtrans-75-35.8168.300000112R49 A50R49-A195 WeakPolarHBondContact CG-O 3.44Å; R49-A195 PolarHBondContact NE-O 3.41Å; A50-A195 WeakPolarHBondContact O-CA 3.48Å
196T73.4Confident87Confident25 Ų2552.7 Ų52.715%0.15326%0.261CS..  trans-119.4163.6-172.866.40000112.1D166 S194D166-T196 WeakPolarHBondContact CB-OG1 3.23Å; D166-T196 PolarHBondContact OD2-OG1 2.96Å; S194-T196 WeakPolarHBondContact CB-O 3.43Å; S194-T196 PolarHBondContact OG-N 3.26Å; S194-T196 PolarHBondContact OG-O 3.06Å
197F77.8Confident87Confident71 Ų7146 Ų4631%0.31123%0.234SC..  trans-120.984.6174.2-156.3-85.8000107.9L47 V201L47-F197 HydrophobicContact CD2-CE2 3.56Å; L47-F197 HydrophobicContact CD2-CZ 4.17Å; L47-F197 HydrophobicContact CG-CE2 4.29Å; F197-V201 HydrophobicContact CD2-CG1 4.4Å
198N76.3Confident86.9Confident49 Ų4938.7 Ų38.726%0.26220%0.197SC..  trans-102.1173.6176.563.5-4.6000110.5D200 V201 Q202N198-D200 PolarHBondContact ND2-OD2 3.23Å; N198-D200 PolarHBondContact O-N 3.5Å; N198-V201 PolarHBondContact O-N 3.44Å; N198-V201 VanDerWaalsContact OD1-CB 3.31Å; N198-V201 WeakPolarHBondContact OD1-CB 3.45Å; N198-V201 WeakPolarHBondContact OD1-CG2 3.29Å; N198-V201 PolarHBondContact OD1-N 3.04Å; N198-Q202 PolarHBondContact O-N 3.31Å; N198-Q202 VanDerWaalsContact O-N 3.09Å
199E77.4Confident86.8Confident175 Ų17537.6 Ų37.682%0.81819%0.193SC*.Hα-helixtrans-57.7-34.2176.7-64.8179.7175.900112Q202 A203E199-Q202 WeakPolarHBondContact O-CB 3.49Å; E199-Q202 PolarHBondContact O-N 3.27Å; E199-A203 PolarHBondContact O-N 3.32Å
200D77.8Confident86.5Confident59 Ų5943 Ų4332%0.31622%0.218SC..Hα-helixtrans-63.3-45.4176.9-62.1-30.1000112.3F169 N198 Q202 A203 L204F169-D200 HydrophobicContact CB-CB 3.97Å; F169-D200 HydrophobicContact CD2-CB 3.65Å; F169-D200 HydrophobicContact CG-CB 4.15Å; N198-D200 PolarHBondContact ND2-OD2 3.23Å; N198-D200 PolarHBondContact O-N 3.5Å; D200-Q202 VanDerWaalsContact C-N 3.28Å; D200-Q202 PolarHBondContact O-N 2.55Å; D200-A203 PolarHBondContact O-N 2.86Å; D200-L204 WeakPolarHBondContact O-CG 3.25Å; D200-L204 PolarHBondContact O-N 3.45Å
201V84.5Confident86.1Confident0 Ų050.7 Ų50.70%026%0.259CS..Hα-helixtrans-65.2-35.3175.8169.40000110.8L47 A165 D166 F197 N198 L204 K205L47-V201 HydrophobicContact CD1-CG1 4.02Å; A165-V201 HydrophobicContact CB-CG2 4.28Å; D166-V201 HydrophobicContact CB-CG2 3.82Å; F197-V201 HydrophobicContact CD2-CG1 4.4Å; N198-V201 PolarHBondContact O-N 3.44Å; N198-V201 VanDerWaalsContact OD1-CB 3.31Å; N198-V201 WeakPolarHBondContact OD1-CB 3.45Å; N198-V201 WeakPolarHBondContact OD1-CG2 3.29Å; N198-V201 PolarHBondContact OD1-N 3.04Å; V201-L204 PolarHBondContact O-N 3.03Å; V201-K205 WeakPolarHBondContact O-CB 3.27Å; V201-K205 PolarHBondContact O-N 3.26Å
202Q85.9Confident86Confident59 Ų5951.9 Ų51.928%0.27627%0.267SS..Hα-helixtrans-66.2-42174.7-177.165.122.500111.5N198 E199 D200 K205 E206N198-Q202 PolarHBondContact O-N 3.31Å; N198-Q202 VanDerWaalsContact O-N 3.09Å; E199-Q202 WeakPolarHBondContact O-CB 3.49Å; E199-Q202 PolarHBondContact O-N 3.27Å; D200-Q202 VanDerWaalsContact C-N 3.28Å; D200-Q202 PolarHBondContact O-N 2.55Å; Q202-K205 WeakPolarHBondContact O-CB 3.49Å; Q202-K205 PolarHBondContact O-N 3.49Å; Q202-E206 PolarHBondContact NE2-OE1 3.38Å; Q202-E206 PolarHBondContact O-N 3.25Å; Q202-E206 VanDerWaalsContact O-N 3.11Å
203A87.2Confident86Confident45 Ų4554.1 Ų54.137%0.37228%0.281SS..Hα-helixtrans-64.1-39.8173.600000112.1F169 E199 D200 E206 L207F169-A203 HydrophobicContact CE2-CB 3.9Å; E199-A203 PolarHBondContact O-N 3.32Å; D200-A203 PolarHBondContact O-N 2.86Å; A203-E206 PolarHBondContact O-N 3.11Å; A203-L207 WeakPolarHBondContact O-CB 3.09Å; A203-L207 PolarHBondContact O-N 3.25Å
204L88.1Confident85.9Confident0 Ų056.4 Ų56.40%030%0.295CS..Hα-helixtrans-63.4-40.6173.1-78.8172.4000112.5A165 V168 F169 L177 L192 D200 V201 E206 L207 L208A165-L204 HydrophobicContact CB-CD1 3.99Å; A165-L204 VanDerWaalsContact O-CD1 3.27Å; A165-L204 WeakPolarHBondContact O-CD1 3.38Å; V168-L204 HydrophobicContact CB-CD1 4.32Å; F169-L204 HydrophobicContact CD1-CD1 4.31Å; F169-L204 HydrophobicContact CD1-CD2 4.13Å; F169-L204 HydrophobicContact CD1-CG 4.22Å; F169-L204 HydrophobicContact CE1-CD1 4.22Å; F169-L204 HydrophobicContact CE1-CD2 3.3Å; F169-L204 HydrophobicContact CE1-CG 3.67Å; F169-L204 HydrophobicContact CE2-CD2 4.48Å; F169-L204 HydrophobicContact CE2-CG 4.1Å; F169-L204 HydrophobicContact CZ-CD1 4.5Å; F169-L204 HydrophobicContact CZ-CD2 3.51Å; F169-L204 HydrophobicContact CZ-CG 3.59Å; L177-L204 HydrophobicContact CD2-CD2 3.24Å; L192-L204 HydrophobicContact CD1-CB 4.12Å; L192-L204 HydrophobicContact CD2-CB 4.19Å; D200-L204 WeakPolarHBondContact O-CG 3.25Å; D200-L204 PolarHBondContact O-N 3.45Å; V201-L204 PolarHBondContact O-N 3.03Å; L204-E206 VanDerWaalsContact C-N 3.33Å; L204-E206 PolarHBondContact O-N 3.48Å; L204-L207 PolarHBondContact O-N 3.42Å; L204-L208 HydrophobicContact CD2-CD1 3.99Å; L204-L208 WeakPolarHBondContact O-CB 3.02Å; L204-L208 WeakPolarHBondContact O-CG 3.31Å; L204-L208 PolarHBondContact O-N 3.17Å
205K91.1Very high86Confident50 Ų5057.3 Ų57.322%0.21730%0.299CS..Hα-helixtrans-57-48.3175.2174.4-164.7-1781790110.9L47 L192 V201 Q202 L207 L209 P212L47-K205 HydrophobicContact CD2-CB 4.09Å; L47-K205 HydrophobicContact CD2-CD 3.61Å; L47-K205 HydrophobicContact CD2-CG 3.86Å; L192-K205 HydrophobicContact CD1-CB 4.24Å; V201-K205 WeakPolarHBondContact O-CB 3.27Å; V201-K205 PolarHBondContact O-N 3.26Å; Q202-K205 WeakPolarHBondContact O-CB 3.49Å; Q202-K205 PolarHBondContact O-N 3.49Å; K205-L207 VanDerWaalsContact C-N 3.28Å; K205-L207 PolarHBondContact O-N 2.94Å; K205-L209 HydrophobicContact CG-CD1 4.26Å; K205-L209 WeakPolarHBondContact O-CB 3.37Å; K205-L209 PolarHBondContact O-N 3.19Å; K205-P212 HydrophobicContact CG-CG 4.3Å
206E90.8Very high86.2Confident145 Ų14562.3 Ų62.368%0.67832%0.317SS*.Hα-helixtrans-68.3-28.9-179.6-70.5171.5-162.800112.5Q202 A203 L204Q202-E206 PolarHBondContact NE2-OE1 3.38Å; Q202-E206 PolarHBondContact O-N 3.25Å; Q202-E206 VanDerWaalsContact O-N 3.11Å; A203-E206 PolarHBondContact O-N 3.11Å; L204-E206 VanDerWaalsContact C-N 3.33Å; L204-E206 PolarHBondContact O-N 3.48Å
207L89.2Confident86.1Confident62 Ų6263.2 Ų63.233%0.32532%0.32SS..Hα-helixtrans-80.2-36.9179.2-174.766.5000113.6L177 K178 L181 A203 L204 K205L177-L207 HydrophobicContact CD2-CD2 4.2Å; K178-L207 HydrophobicContact CG-CD2 4.18Å; L181-L207 HydrophobicContact CD1-CD1 3.93Å; L181-L207 HydrophobicContact CD1-CD2 3.79Å; L181-L207 HydrophobicContact CD1-CG 3.57Å; A203-L207 WeakPolarHBondContact O-CB 3.09Å; A203-L207 PolarHBondContact O-N 3.25Å; L204-L207 PolarHBondContact O-N 3.42Å; K205-L207 VanDerWaalsContact C-N 3.28Å; K205-L207 PolarHBondContact O-N 2.94Å
208L90.4Very high85Confident0 Ų068.9 Ų68.90%035%0.348CS..Hα-helixtrans-113-25.4-165.4-64.5175.8000115.7L160 V162 L177 L181 S190 L192 L204L160-L208 HydrophobicContact CD2-CD2 4.04Å; V162-L208 HydrophobicContact CG2-CD1 3.63Å; L177-L208 HydrophobicContact CD2-CD1 4.27Å; L181-L208 HydrophobicContact CD1-CD2 3.67Å; L181-L208 HydrophobicContact CD2-CD2 3.42Å; L181-L208 VanDerWaalsContact CD2-CD2 3.42Å; L181-L208 HydrophobicContact CG-CD2 4.08Å; S190-L208 WeakPolarHBondContact CB-O 3.45Å; S190-L208 PolarHBondContact OG-O 2.96Å; L192-L208 HydrophobicContact CD1-CD1 4.47Å; L192-L208 HydrophobicContact CD2-CD1 3.98Å; L192-L208 HydrophobicContact CG-CD1 4.4Å; L204-L208 HydrophobicContact CD2-CD1 3.99Å; L204-L208 WeakPolarHBondContact O-CB 3.02Å; L204-L208 WeakPolarHBondContact O-CG 3.31Å; L204-L208 PolarHBondContact O-N 3.17Å
209L90.8Very high83.9Confident11 Ų1168.6 Ų68.66%0.05836%0.356CS..  trans-109143-170.3-57.7-172.7000111.9D45 L47 S190 L192 K205 P212D45-L209 HydrophobicContact CB-CD2 4.3Å; L47-L209 HydrophobicContact CB-CD1 3.75Å; S190-L209 VanDerWaalsContact CB-CD2 3.42Å; S190-L209 WeakPolarHBondContact O-CD2 3.42Å; S190-L209 VanDerWaalsContact OG-CD2 3.31Å; S190-L209 WeakPolarHBondContact OG-CD2 3.38Å; L192-L209 HydrophobicContact CB-CD1 4.16Å; L192-L209 HydrophobicContact CD1-CD1 3.68Å; L192-L209 HydrophobicContact CD1-CD2 4.22Å; L192-L209 HydrophobicContact CD1-CG 3.69Å; L192-L209 HydrophobicContact CG-CD1 4.19Å; L192-L209 HydrophobicContact CG-CD2 4.24Å; L192-L209 HydrophobicContact CG-CG 4.24Å; K205-L209 HydrophobicContact CG-CD1 4.26Å; K205-L209 WeakPolarHBondContact O-CB 3.37Å; K205-L209 PolarHBondContact O-N 3.19Å; L209-P212 HydrophobicContact CB-CB 3.84Å; L209-P212 HydrophobicContact CB-CG 3.71Å; L209-P212 HydrophobicContact CD1-CB 3.5Å; L209-P212 HydrophobicContact CD1-CG 3.76Å; L209-P212 HydrophobicContact CG-CB 4.25Å; L209-P212 HydrophobicContact CG-CG 4.39Å
210H89.4Confident82.9Confident123 Ų12363.3 Ų63.357%0.56934%0.338SS*.SBendtrans-115.8111.6175.4-63.5-58.4000110.6D45D45-H210 PolarHBondContact OD2-N 3.16Å
211N89.9Confident81.9Confident161 Ų16165.2 Ų65.286%0.86135%0.345SS*.SBendtrans47.956.1-176.5-166.823.5000114
212P93.3Very high80.8Confident26 Ų2665.5 Ų65.517%0.16935%0.347CS..  trans-76.9145.6-170.930.7-36.1000113.8D45 K205 L209 T214D45-P212 HydrophobicContact CB-CB 4.01Å; D45-P212 CarbonylContact O-C 3.55Å; D45-P212 VanDerWaalsContact O-CA 3.28Å; D45-P212 WeakPolarHBondContact O-CA 3.39Å; K205-P212 HydrophobicContact CG-CG 4.3Å; L209-P212 HydrophobicContact CB-CB 3.84Å; L209-P212 HydrophobicContact CB-CG 3.71Å; L209-P212 HydrophobicContact CD1-CB 3.5Å; L209-P212 HydrophobicContact CD1-CG 3.76Å; L209-P212 HydrophobicContact CG-CB 4.25Å; L209-P212 HydrophobicContact CG-CG 4.39Å; P212-T214 PolarHBondContact O-N 2.87Å
213V93.9Very high79.7Confident47 Ų4763.2 Ų63.229%0.28534%0.337SS..EExtended strand (participates in β ladder)trans-75.5117.9163.8-175.50000108.7L39 K44 D45 L46 L47 L215L39-V213 HydrophobicContact CD1-CB 4.46Å; L39-V213 HydrophobicContact CD1-CG1 3.89Å; K44-V213 HydrophobicContact CB-CG2 4.15Å; K44-V213 HydrophobicContact CD-CG2 3.76Å; K44-V213 HydrophobicContact CG-CG2 4.46Å; D45-V213 PolarHBondContact O-N 3.03Å; L46-V213 HydrophobicContact CD2-CB 3.98Å; L47-V213 PolarHBondContact N-O 3.33Å; V213-L215 HydrophobicContact CG1-CD2 4.08Å; V213-L215 HydrophobicContact CG1-CG 4.44Å
214T91.2Very high78.7Confident50 Ų5065.4 Ų65.431%0.30734%0.343SS..EExtended strand (participates in β ladder)trans-91.1107.2177.3-53.50000109.9L47 P212 K216L47-T214 HydrophobicContact CB-CG2 4.39Å; L47-T214 HydrophobicContact CD2-CG2 4.16Å; L47-T214 HydrophobicContact CG-CG2 4.23Å; L47-T214 CarbonylContact O-C 3.54Å; L47-T214 WeakPolarHBondContact O-CA 3.36Å; P212-T214 PolarHBondContact O-N 2.87Å; T214-K216 HydrophobicContact CG2-CG 4.02Å; T214-K216 PolarHBondContact O-N 3.36Å
215L88.3Confident77.8Confident20 Ų2067.7 Ų67.711%0.10536%0.357CS..EExtended strand (participates in β ladder)trans-89.598.6175-62.6177.5000109.4I32 K35 A36 L39 L47 A48 R49 V213 L217I32-L215 HydrophobicContact CD1-CD1 4.32Å; K35-L215 HydrophobicContact CB-CD1 4.34Å; K35-L215 HydrophobicContact CB-CD2 4.38Å; A36-L215 HydrophobicContact CB-CD1 3.78Å; L39-L215 HydrophobicContact CD1-CD1 4.26Å; L39-L215 HydrophobicContact CD1-CD2 3.86Å; L39-L215 HydrophobicContact CD1-CG 4.43Å; L47-L215 PolarHBondContact O-N 3.37Å; A48-L215 HydrophobicContact CB-CB 4.36Å; R49-L215 PolarHBondContact N-O 3.07Å; V213-L215 HydrophobicContact CG1-CD2 4.08Å; V213-L215 HydrophobicContact CG1-CG 4.44Å; L215-L217 PolarHBondContact O-N 2.91Å
216K83.1Confident76.8Confident131 Ų13170.3 Ų70.357%0.5738%0.381SS*.EExtended strand (participates in β ladder)trans-94.384.6169.8-62.8-175.4-177.2179.30108.5T214 Q218T214-K216 HydrophobicContact CG2-CG 4.02Å; T214-K216 PolarHBondContact O-N 3.36Å; K216-Q218 PolarHBondContact O-N 3.26Å
217L72.5Confident76.3Confident44 Ų4465 Ų6523%0.2336%0.357CS..  trans-76.495.9177.8-64.1173.1000108.5L31 I32 K35 L215 G219L31-L217 HydrophobicContact CD2-CB 4.26Å; L31-L217 HydrophobicContact CD2-CD2 3.98Å; L31-L217 HydrophobicContact CG-CD1 4.5Å; L31-L217 HydrophobicContact CG-CD2 4.02Å; I32-L217 HydrophobicContact CB-CD1 3.43Å; I32-L217 VanDerWaalsContact CB-CD1 3.43Å; I32-L217 HydrophobicContact CD1-CD1 3.38Å; I32-L217 HydrophobicContact CD1-CG 4.49Å; I32-L217 HydrophobicContact CG1-CD1 3.94Å; K35-L217 HydrophobicContact CG-CD2 4.17Å; L215-L217 PolarHBondContact O-N 2.91Å; L217-G219 PolarHBondContact O-N 3.12Å
218Q53.4Low76.2Confident190 Ų19062.1 Ų62.189%0.88834%0.341SS*.  trans-71.466.4168.1-66179.8-9.300109K216K216-Q218 PolarHBondContact O-N 3.26Å
219G53.9Low76.1Confident42 Ų4266.2 Ų66.243%0.43336%0.361SS..  trans-68.8157.2150.400000108.1L217 Q221L217-G219 PolarHBondContact O-N 3.12Å; G219-Q221 PolarHBondContact O-N 3.27Å; G219-Q221 VanDerWaalsContact O-N 3.11Å
220S55.6Low76.1Confident64 Ų6466.2 Ų66.245%0.44836%0.36SS..  trans-48.3127158.449.80000107.1L222S220-L222 CarbonylContact C-O 3.5Å; S220-L222 WeakPolarHBondContact CB-O 3.3Å; S220-L222 PolarHBondContact O-N 3.01Å; S220-L222 PolarHBondContact OG-O 3.08Å
221Q57.9Low76.3Confident99 Ų9962.9 Ų62.946%0.46334%0.343SS..SBendtrans-57.5-23.1-176.4-58.6-168.417.700110.8G219 I371G219-Q221 PolarHBondContact O-N 3.27Å; G219-Q221 VanDerWaalsContact O-N 3.11Å; Q221-I371 HydrophobicContact CB-CD1 3.98Å; Q221-I371 HydrophobicContact CB-CG2 3.75Å; Q221-I371 HydrophobicContact CG-CD1 4.34Å
222L61.8Low76.5Confident6 Ų655.7 Ų55.73%0.03131%0.305CS..SBendtrans-100.5151.1172.1-59.3-175000113R51 S220 L228 Y370 I371 V374 L405R51-L222 PolarHBondContact NH1-O 3.32Å; S220-L222 CarbonylContact C-O 3.5Å; S220-L222 WeakPolarHBondContact CB-O 3.3Å; S220-L222 PolarHBondContact O-N 3.01Å; S220-L222 PolarHBondContact OG-O 3.08Å; L222-L228 HydrophobicContact CB-CD2 4.28Å; L222-L228 HydrophobicContact CD1-CD2 4.41Å; L222-L228 HydrophobicContact CD2-CD2 4.28Å; L222-Y370 HydrophobicContact CD1-CE1 4.18Å; L222-I371 HydrophobicContact CD2-CB 4.33Å; L222-I371 HydrophobicContact CD2-CG1 4.32Å; L222-I371 HydrophobicContact CD2-CG2 3.92Å; L222-I371 HydrophobicContact CG-CG1 4.44Å; L222-V374 HydrophobicContact CD1-CG2 3.89Å; L222-V374 HydrophobicContact CD2-CG2 3.29Å; L222-V374 HydrophobicContact CG-CG2 4.25Å; L222-L405 HydrophobicContact CD1-CD1 3.96Å; L222-L405 HydrophobicContact CD1-CD2 3.51Å; L222-L405 HydrophobicContact CD1-CG 4.41Å; L222-L405 HydrophobicContact CG-CD2 4.09Å
223P61.5Low76.5Confident11 Ų1154.9 Ų54.97%0.07130%0.299CS..PPolyproline II helixtrans-53.7158.8167.9-22.933.5000111.8R51 Q227 L228 A378R51-P223 VanDerWaalsContact NH1-CA 3.31Å; P223-Q227 HydrophobicContact CB-CB 3.96Å; P223-Q227 HydrophobicContact CB-CG 4.23Å; P223-L228 HydrophobicContact CB-CB 4.03Å; P223-L228 HydrophobicContact CG-CB 4.24Å; P223-A378 HydrophobicContact CB-CB 4.41Å; P223-A378 HydrophobicContact CG-CB 3.93Å; P223-A378 WeakPolarHBondContact CG-O 3.26Å
224D66.4Low76.5Confident91 Ų9160 Ų6049%0.48732%0.318SS..PPolyproline II helixtrans-57.9153.8174.7-73.9-45.9000110.8S226 Q227 L228 K409D224-S226 PolarHBondContact O-N 3.03Å; D224-Q227 PolarHBondContact O-N 3.39Å; D224-L228 PolarHBondContact O-N 3.13Å; D224-K409 IonicContact OD1-NZ 3.1Å
225T69Low76.5Confident49 Ų4958.1 Ų58.130%0.30131%0.306SS..THydrogen-bonded Turntrans-58-20.6-178.6-41.20000113.2
226S71.3Confident76.6Confident104 Ų10461.2 Ų61.273%0.72732%0.32SS*.THydrogen-bonded Turntrans-69.6-33.4172.553.80000112.9D224D224-S226 PolarHBondContact O-N 3.03Å
227Q79.9Confident76.9Confident35 Ų3559.1 Ų59.116%0.16431%0.312CS..THydrogen-bonded Turntrans-94.5-40.1-179.1-167.6-176.5-5.500111.8P223 D224 A378 A380 N382 P383 G384P223-Q227 HydrophobicContact CB-CB 3.96Å; P223-Q227 HydrophobicContact CB-CG 4.23Å; D224-Q227 PolarHBondContact O-N 3.39Å; Q227-A378 HydrophobicContact CG-CB 4.12Å; Q227-A378 PolarHBondContact NE2-O 3.2Å; Q227-A378 VanDerWaalsContact NE2-O 3.12Å; Q227-A380 PolarHBondContact NE2-O 3.26Å; Q227-N382 WeakPolarHBondContact CG-O 3.45Å; Q227-N382 PolarHBondContact NE2-O 2.77Å; Q227-N382 VanDerWaalsContact NE2-O 3.13Å; Q227-P383 CarbonylContact O-C 3.48Å; Q227-P383 VanDerWaalsContact O-CA 3.26Å; Q227-P383 WeakPolarHBondContact O-CA 3.44Å; Q227-G384 PolarHBondContact O-N 2.72Å
228L86.1Confident77.8Confident0 Ų061 Ų610%032%0.32CS..EExtended strand (participates in β ladder)trans-115.6107.8177.818060.8000110.7L222 P223 D224 Q230 V374 T377 A378 G384 A386L222-L228 HydrophobicContact CB-CD2 4.28Å; L222-L228 HydrophobicContact CD1-CD2 4.41Å; L222-L228 HydrophobicContact CD2-CD2 4.28Å; P223-L228 HydrophobicContact CB-CB 4.03Å; P223-L228 HydrophobicContact CG-CB 4.24Å; D224-L228 PolarHBondContact O-N 3.13Å; L228-Q230 HydrophobicContact CD2-CG 4.09Å; L228-Q230 HydrophobicContact CG-CG 3.81Å; L228-V374 HydrophobicContact CD2-CB 4.23Å; L228-V374 HydrophobicContact CD2-CG2 4.04Å; L228-T377 HydrophobicContact CD1-CG2 3.6Å; L228-A378 HydrophobicContact CB-CB 3.82Å; L228-A378 HydrophobicContact CD1-CB 3.94Å; L228-A378 HydrophobicContact CG-CB 4.38Å; L228-G384 WeakPolarHBondContact CA-O 3.45Å; L228-A386 HydrophobicContact CD1-CB 4.27Å
229Q89.1Confident79.6Confident87 Ų8753.5 Ų53.541%0.40729%0.286SS..EExtended strand (participates in β ladder)trans-86.7128.9171-62.6-169.6-900110Y231 G384 T385 A386Q229-Y231 HydrophobicContact CB-CD2 4.49Å; Q229-Y231 HydrophobicContact CB-CE2 3.7Å; Q229-Y231 PolarHBondContact OE1-OH 2.71Å; Q229-G384 PolarHBondContact N-O 3.27Å; Q229-T385 CarbonylContact O-C 3.3Å; Q229-T385 WeakPolarHBondContact O-CA 3.4Å; Q229-A386 PolarHBondContact O-N 3.2Å
230Q91.1Very high81.5Confident10 Ų1051.6 Ų51.65%0.04727%0.266CS..EExtended strand (participates in β ladder)trans-122.3125.3-177.2-53179.368.500109.9L228 Y370 A386 A413 L414 K415L228-Q230 HydrophobicContact CD2-CG 4.09Å; L228-Q230 HydrophobicContact CG-CG 3.81Å; Q230-Y370 VanDerWaalsContact OE1-CE1 3.29Å; Q230-Y370 PolarHBondContact OE1-OH 3.46Å; Q230-A386 CarbonylContact C-O 3.47Å; Q230-A386 WeakPolarHBondContact CA-O 3.36Å; Q230-A386 HydrophobicContact CG-CB 4.25Å; Q230-A413 WeakPolarHBondContact CB-O 3.49Å; Q230-L414 HydrophobicContact CB-CD2 4.49Å; Q230-K415 PolarHBondContact O-N 2.95Å
231Y92.8Very high83.4Confident54 Ų5448.7 Ų48.721%0.21225%0.245CC..EExtended strand (participates in β ladder)trans-124.1144.9-175.1-64.6-71.9000111.8Q229 T385 A386 L387 S388 K415 Y417Q229-Y231 HydrophobicContact CB-CD2 4.49Å; Q229-Y231 HydrophobicContact CB-CE2 3.7Å; Q229-Y231 PolarHBondContact OE1-OH 2.71Å; Y231-T385 HydrophobicContact CD2-CG2 3.71Å; Y231-T385 HydrophobicContact CE2-CG2 3.83Å; Y231-A386 PolarHBondContact N-O 3.12Å; Y231-L387 CarbonylContact O-C 3.58Å; Y231-L387 WeakPolarHBondContact O-CA 3.24Å; Y231-S388 PolarHBondContact O-N 3.13Å; Y231-K415 CarbonylContact C-O 3.54Å; Y231-K415 WeakPolarHBondContact CA-O 3.47Å; Y231-K415 HydrophobicContact CD1-CB 4.06Å; Y231-K415 HydrophobicContact CE1-CB 4.23Å; Y231-Y417 AromaticContact CD1-CD2 3.9Å; Y231-Y417 HydrophobicContact CD1-CD2 3.9Å; Y231-Y417 HydrophobicContact CE1-CD2 4.26Å; Y231-Y417 HydrophobicContact CG-CD2 4.27Å
232T93.7Very high85.1Confident10 Ų1044 Ų446%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-121.9138.317559.60000111.5S388 I390 L398 L414 K415 Y417T232-S388 CarbonylContact C-O 3.59Å; T232-S388 WeakPolarHBondContact CA-O 3.47Å; T232-I390 HydrophobicContact CG2-CD1 3.69Å; T232-L398 HydrophobicContact CG2-CD1 4.29Å; T232-L414 HydrophobicContact CG2-CB 4.08Å; T232-L414 HydrophobicContact CG2-CD2 3.42Å; T232-L414 VanDerWaalsContact CG2-CD2 3.42Å; T232-L414 HydrophobicContact CG2-CG 4.37Å; T232-K415 PolarHBondContact N-O 3.31Å; T232-Y417 PolarHBondContact O-N 3.06Å
233I93.9Very high86.6Confident8 Ų843.7 Ų43.74%0.04122%0.222CC..EExtended strand (participates in β ladder)trans-126.2116.8172.2-59.2176.1000108.2C235 L243 L387 S388 F389 I390 Y417 F419I233-C235 HydrophobicContact CG2-CB 4.36Å; I233-C235 PolarHBondContact O-N 3.1Å; I233-C235 PolarHBondContact O-SG 3.09Å; I233-L243 HydrophobicContact CD1-CD2 4.42Å; I233-L243 HydrophobicContact CG2-CD1 3.76Å; I233-L387 HydrophobicContact CD1-CD1 3.78Å; I233-L387 HydrophobicContact CD1-CD2 4.34Å; I233-L387 HydrophobicContact CG1-CD1 3.92Å; I233-S388 PolarHBondContact N-O 2.82Å; I233-F389 HydrophobicContact CB-CD1 4.24Å; I233-F389 HydrophobicContact CD1-CE1 4.28Å; I233-F389 WeakPolarHBondContact O-CA 3.34Å; I233-I390 PolarHBondContact O-N 2.94Å; I233-Y417 HydrophobicContact CD1-CD1 3.89Å; I233-Y417 HydrophobicContact CG1-CD1 4.19Å; I233-F419 HydrophobicContact CD1-CB 4.17Å; I233-F419 HydrophobicContact CD1-CD2 4.44Å
234K93.1Very high88.1Confident156 Ų15643.2 Ų43.268%0.67822%0.218SC*.EExtended strand (participates in β ladder)trans-74.6118.4172.3-64.8-179-178.7179.10108.6I390K234-I390 CarbonylContact C-O 3.57Å; K234-I390 WeakPolarHBondContact CA-O 3.17Å
235C92.1Very high89.4Confident10 Ų1038.9 Ų38.97%0.06820%0.195CC..  trans-157.5147.1-176.9540000112I233 D239 L243 I390 S391I233-C235 HydrophobicContact CG2-CB 4.36Å; I233-C235 PolarHBondContact O-N 3.1Å; I233-C235 PolarHBondContact O-SG 3.09Å; C235-D239 HydrophobicContact CB-CB 3.93Å; C235-L243 HydrophobicContact CB-CD1 3.89Å; C235-I390 PolarHBondContact N-O 2.85Å; C235-S391 WeakPolarHBondContact O-CA 3.33Å
236E90.9Very high90.4Very high85 Ų8536.5 Ų36.540%0.39718%0.181SC..  trans-81.6169.6174.9-73.1-58.4113.600111.8E238 D239 K240 H392E236-E238 PolarHBondContact O-N 2.89Å; E236-D239 CarbonylContact O-C 3.57Å; E236-D239 WeakPolarHBondContact O-CA 3.48Å; E236-D239 WeakPolarHBondContact O-CB 3.48Å; E236-D239 PolarHBondContact O-N 3.05Å; E236-K240 PolarHBondContact O-N 3.35Å; E236-H392 IonicContact OE1-CD2 3.54Å; E236-H392 PolarHBondContact OE1-CD2 3.42Å; E236-H392 IonicContact OE1-CG 3.64Å; E236-H392 PolarHBondContact OE1-N 2.97Å; E236-H392 IonicContact OE1-NE2 3.14Å
237E89.5Confident91.4Very high86 Ų8632.1 Ų32.140%0.40215%0.149SC..Hα-helixtrans-53.8-46.2-172.9-178.470.3172.800114.1D239 K240 F241 R266E237-D239 VanDerWaalsContact C-N 3.26Å; E237-D239 PolarHBondContact O-N 2.93Å; E237-K240 PolarHBondContact O-N 2.77Å; E237-F241 WeakPolarHBondContact O-CD2 3.47Å; E237-R266 IonicContact OE1-CZ 3.54Å; E237-R266 IonicContact OE1-NH1 3.62Å; E237-R266 PolarHBondContact OE1-NH1 2.75Å; E237-R266 IonicContact OE1-NH2 2.93Å; E237-R266 PolarHBondContact OE1-NH2 3.27Å; E237-R266 IonicContact OE2-CZ 2.89Å; E237-R266 IonicContact OE2-NH1 2.85Å; E237-R266 IonicContact OE2-NH2 2.71Å; E237-R266 PolarHBondContact OE2-NH2 3.13Å
238E90Very high91.9Very high83 Ų8331.3 Ų31.339%0.38815%0.146SC..Hα-helixtrans-63.2-36.3176.6-70.4-162.2171.900111.9E236 F241 L242 R428 R432 M435E236-E238 PolarHBondContact O-N 2.89Å; E238-F241 PolarHBondContact O-N 3.49Å; E238-L242 PolarHBondContact O-N 2.86Å; E238-L242 VanDerWaalsContact O-N 3.16Å; E238-R428 IonicContact OE2-NH1 2.8Å; E238-R432 IonicContact OE2-CZ 2.69Å; E238-R432 IonicContact OE2-NE 3.82Å; E238-R432 PolarHBondContact OE2-NE 3.04Å; E238-R432 IonicContact OE2-NH2 2.73Å; E238-R432 PolarHBondContact OE2-NH2 3.05Å; E238-M435 HydrophobicContact CG-CE 4.31Å
239D92.1Very high92Very high34 Ų3433.6 Ų33.618%0.18216%0.155CC..Hα-helixtrans-75.5-31.9-176.4-62.5-22.7000111C235 E236 E237 F241 L242 L243 R428C235-D239 HydrophobicContact CB-CB 3.93Å; E236-D239 CarbonylContact O-C 3.57Å; E236-D239 WeakPolarHBondContact O-CA 3.48Å; E236-D239 WeakPolarHBondContact O-CB 3.48Å; E236-D239 PolarHBondContact O-N 3.05Å; E237-D239 VanDerWaalsContact C-N 3.26Å; E237-D239 PolarHBondContact O-N 2.93Å; D239-F241 VanDerWaalsContact C-N 3.33Å; D239-F241 PolarHBondContact O-N 3.27Å; D239-L242 PolarHBondContact O-N 2.77Å; D239-L243 VanDerWaalsContact O-CB 3.28Å; D239-L243 WeakPolarHBondContact O-CB 3.28Å; D239-L243 WeakPolarHBondContact O-CG 3.3Å; D239-L243 PolarHBondContact O-N 2.95Å; D239-R428 IonicContact OD1-CZ 2.7Å; D239-R428 IonicContact OD1-NH1 2.79Å; D239-R428 PolarHBondContact OD1-NH1 3.33Å; D239-R428 IonicContact OD1-NH2 2.7Å; D239-R428 PolarHBondContact OD1-NH2 3.25Å
240K93.9Very high91.9Very high2 Ų229.4 Ų29.41%0.00914%0.136CC..Hα-helixtrans-54.2-48.3170-69.2-174.8174-1620111.2E236 E237 L243 I244 F361 D362 F389 E394E236-K240 PolarHBondContact O-N 3.35Å; E237-K240 PolarHBondContact O-N 2.77Å; K240-L243 PolarHBondContact O-N 2.63Å; K240-I244 WeakPolarHBondContact O-CG2 3.3Å; K240-I244 PolarHBondContact O-N 2.6Å; K240-F361 HydrophobicContact CB-CD2 4.48Å; K240-F361 HydrophobicContact CB-CE2 3.8Å; K240-F361 HydrophobicContact CB-CZ 3.87Å; K240-F361 WeakPolarHBondContact CD-O 3.35Å; K240-F361 PolarHBondContact NZ-O 3.45Å; K240-F361 VanDerWaalsContact NZ-O 3.17Å; K240-F361 WeakPolarHBondContact O-CE2 3.48Å; K240-D362 IonicContact NZ-OD1 3.98Å; K240-F389 HydrophobicContact CB-CD2 3.95Å; K240-F389 HydrophobicContact CB-CE2 4.48Å; K240-F389 HydrophobicContact CD-CB 4.14Å; K240-F389 HydrophobicContact CG-CB 3.97Å; K240-F389 HydrophobicContact CG-CD2 3.92Å; K240-F389 HydrophobicContact CG-CG 4.26Å; K240-E394 IonicContact NZ-OE1 3.19Å; K240-E394 PolarHBondContact NZ-OE1 3.22Å; K240-E394 IonicContact NZ-OE2 3.51Å; K240-E394 PolarHBondContact NZ-OE2 3.42Å
241F94.6Very high91.6Very high2 Ų234.3 Ų34.31%0.00916%0.159CC..Hα-helixtrans-66.1-38.5177.3-78.4-83000112.7E237 E238 D239 I244 Y245 R269 L270 F273 F361 M435E237-F241 WeakPolarHBondContact O-CD2 3.47Å; E238-F241 PolarHBondContact O-N 3.49Å; D239-F241 VanDerWaalsContact C-N 3.33Å; D239-F241 PolarHBondContact O-N 3.27Å; F241-I244 WeakPolarHBondContact O-CG2 3.44Å; F241-Y245 VanDerWaalsContact O-CB 3.22Å; F241-Y245 WeakPolarHBondContact O-CB 3.27Å; F241-Y245 PolarHBondContact O-N 2.66Å; F241-Y245 VanDerWaalsContact O-N 3.15Å; F241-R269 HydrophobicContact CZ-CG 4.49Å; F241-L270 HydrophobicContact CD1-CD1 4.2Å; F241-L270 HydrophobicContact CE1-CD1 3.98Å; F241-F273 HydrophobicContact CB-CE1 4.2Å; F241-F273 HydrophobicContact CB-CE2 4.4Å; F241-F273 HydrophobicContact CB-CZ 3.94Å; F241-F273 HydrophobicContact CD1-CB 4.47Å; F241-F273 AromaticContact CD1-CD1 3.72Å; F241-F273 HydrophobicContact CD1-CD1 3.72Å; F241-F273 HydrophobicContact CD1-CD2 4.14Å; F241-F273 AromaticContact CD1-CE1 3.85Å; F241-F273 HydrophobicContact CD1-CE1 3.85Å; F241-F273 HydrophobicContact CD1-CE2 4.26Å; F241-F273 AromaticContact CD1-CG 3.85Å; F241-F273 HydrophobicContact CD1-CG 3.85Å; F241-F273 HydrophobicContact CD1-CZ 4.12Å; F241-F273 HydrophobicContact CE1-CB 4.41Å; F241-F273 HydrophobicContact CE1-CD1 4.36Å; F241-F273 HydrophobicContact CE1-CG 4.27Å; F241-F361 HydrophobicContact CD1-CZ 4.06Å; F241-F361 AromaticContact CD2-CZ 3.97Å; F241-F361 HydrophobicContact CD2-CZ 3.97Å; F241-F361 HydrophobicContact CE1-CE1 4.48Å; F241-F361 AromaticContact CE1-CZ 3.98Å; F241-F361 HydrophobicContact CE1-CZ 3.98Å; F241-F361 HydrophobicContact CE2-CE1 4.2Å; F241-F361 AromaticContact CE2-CZ 3.86Å; F241-F361 HydrophobicContact CE2-CZ 3.86Å; F241-F361 HydrophobicContact CG-CZ 4.05Å; F241-F361 HydrophobicContact CZ-CE1 4.07Å; F241-F361 AromaticContact CZ-CZ 3.86Å; F241-F361 HydrophobicContact CZ-CZ 3.86Å; F241-M435 HydrophobicContact CB-SD 4.03Å; F241-M435 HydrophobicContact CD2-SD 4Å; F241-M435 HydrophobicContact CG-CG 4.49Å; F241-M435 HydrophobicContact CG-SD 4.01Å
242L93.6Very high91.3Very high1 Ų135 Ų351%0.00517%0.166CC..Hα-helixtrans-65.8-44.7177.1-179.461000111.7E238 D239 T246 I424 F427 R428 C431E238-L242 PolarHBondContact O-N 2.86Å; E238-L242 VanDerWaalsContact O-N 3.16Å; D239-L242 PolarHBondContact O-N 2.77Å; L242-T246 HydrophobicContact CD1-CG2 4.26Å; L242-T246 WeakPolarHBondContact O-CB 3.47Å; L242-T246 VanDerWaalsContact O-CG2 3.26Å; L242-T246 WeakPolarHBondContact O-CG2 3.31Å; L242-T246 PolarHBondContact O-N 3.47Å; L242-T246 PolarHBondContact O-OG1 2.96Å; L242-I424 HydrophobicContact CD2-CD1 4.13Å; L242-I424 HydrophobicContact CD2-CG1 4.37Å; L242-I424 HydrophobicContact CG-CD1 3.96Å; L242-F427 HydrophobicContact CD1-CB 3.7Å; L242-R428 HydrophobicContact CD2-CB 4.29Å; L242-C431 HydrophobicContact CD1-CB 4.01Å
243L93.8Very high91Very high0 Ų036 Ų360%017%0.172CC..Hα-helixtrans-61.9-53177.3-85168000111.4I233 C235 D239 K240 Y245 T246 L247 F389 F419 M421 I424I233-L243 HydrophobicContact CD1-CD2 4.42Å; I233-L243 HydrophobicContact CG2-CD1 3.76Å; C235-L243 HydrophobicContact CB-CD1 3.89Å; D239-L243 VanDerWaalsContact O-CB 3.28Å; D239-L243 WeakPolarHBondContact O-CB 3.28Å; D239-L243 WeakPolarHBondContact O-CG 3.3Å; D239-L243 PolarHBondContact O-N 2.95Å; K240-L243 PolarHBondContact O-N 2.63Å; L243-Y245 VanDerWaalsContact C-N 3.28Å; L243-Y245 PolarHBondContact O-N 2.66Å; L243-T246 PolarHBondContact O-N 3.06Å; L243-T246 PolarHBondContact O-OG1 3Å; L243-L247 HydrophobicContact CB-CD1 4.5Å; L243-L247 VanDerWaalsContact O-CB 3.26Å; L243-L247 WeakPolarHBondContact O-CB 3.48Å; L243-L247 WeakPolarHBondContact O-CG 3.5Å; L243-L247 PolarHBondContact O-N 2.87Å; L243-F389 HydrophobicContact CB-CE1 4.13Å; L243-F389 HydrophobicContact CB-CE2 4.18Å; L243-F389 HydrophobicContact CB-CZ 3.65Å; L243-F389 HydrophobicContact CD1-CD1 4.36Å; L243-F389 HydrophobicContact CD1-CE1 4.06Å; L243-F389 HydrophobicContact CD1-CZ 4.35Å; L243-F419 HydrophobicContact CD2-CB 4.36Å; L243-F419 HydrophobicContact CD2-CD1 3.94Å; L243-F419 HydrophobicContact CD2-CD2 3.91Å; L243-F419 HydrophobicContact CD2-CE1 4.21Å; L243-F419 HydrophobicContact CD2-CE2 4.2Å; L243-F419 HydrophobicContact CD2-CG 3.78Å; L243-F419 HydrophobicContact CD2-CZ 4.33Å; L243-M421 HydrophobicContact CD1-CE 4.04Å; L243-M421 HydrophobicContact CD2-CE 3.33Å; L243-M421 HydrophobicContact CG-CE 3.79Å; L243-I424 HydrophobicContact CD2-CD1 4.28Å
244I94Very high90.5Very high0 Ų042.2 Ų42.20%020%0.201CC..Hα-helixtrans-63.1-39-177.9-166.956.6000111.9K240 F241 L248 L259 L270 F273 I359 F361 F389K240-I244 WeakPolarHBondContact O-CG2 3.3Å; K240-I244 PolarHBondContact O-N 2.6Å; F241-I244 WeakPolarHBondContact O-CG2 3.44Å; I244-L248 HydrophobicContact CD1-CD1 3.76Å; I244-L248 HydrophobicContact CD1-CD2 4.48Å; I244-L248 HydrophobicContact CD1-CG 3.91Å; I244-L248 HydrophobicContact CG1-CD1 3.77Å; I244-L248 HydrophobicContact CG1-CG 4.31Å; I244-L248 WeakPolarHBondContact O-CB 3.43Å; I244-L248 VanDerWaalsContact O-CG 3.25Å; I244-L248 WeakPolarHBondContact O-CG 2.94Å; I244-L248 PolarHBondContact O-N 2.95Å; I244-L248 VanDerWaalsContact O-N 3.13Å; I244-L259 HydrophobicContact CD1-CD1 4.21Å; I244-L259 HydrophobicContact CD1-CD2 3.47Å; I244-L259 VanDerWaalsContact CD1-CD2 3.47Å; I244-L259 HydrophobicContact CD1-CG 4.41Å; I244-L259 HydrophobicContact CG1-CD1 4.38Å; I244-L259 HydrophobicContact CG1-CD2 4.04Å; I244-L270 HydrophobicContact CG2-CD1 3.99Å; I244-F273 HydrophobicContact CG2-CE1 4.47Å; I244-I359 HydrophobicContact CD1-CD1 3.84Å; I244-I359 HydrophobicContact CD1-CG2 4.31Å; I244-F361 HydrophobicContact CB-CD2 4.32Å; I244-F361 HydrophobicContact CB-CE2 4.16Å; I244-F361 HydrophobicContact CG2-CD2 4.33Å; I244-F361 HydrophobicContact CG2-CE2 3.74Å; I244-F389 HydrophobicContact CB-CE2 4.2Å
245Y92.3Very high90.2Very high0 Ų036.9 Ų36.90%019%0.19CC..Hα-helixtrans-59.2-50174.9163.2-131.8000111.3F241 L243 K249 F277 I279 F427 R430F241-Y245 VanDerWaalsContact O-CB 3.22Å; F241-Y245 WeakPolarHBondContact O-CB 3.27Å; F241-Y245 PolarHBondContact O-N 2.66Å; F241-Y245 VanDerWaalsContact O-N 3.15Å; L243-Y245 VanDerWaalsContact C-N 3.28Å; L243-Y245 PolarHBondContact O-N 2.66Å; Y245-K249 HydrophobicContact CD2-CB 4Å; Y245-K249 HydrophobicContact CE2-CB 3.78Å; Y245-K249 HydrophobicContact CE2-CG 3.86Å; Y245-K249 WeakPolarHBondContact O-CB 2.86Å; Y245-K249 PolarHBondContact O-N 2.86Å; Y245-F277 HydrophobicContact CD1-CZ 4.31Å; Y245-F277 HydrophobicContact CD2-CB 4.14Å; Y245-F277 AromaticContact CD2-CD1 3.89Å; Y245-F277 HydrophobicContact CD2-CD1 3.89Å; Y245-F277 AromaticContact CD2-CD2 3.62Å; Y245-F277 HydrophobicContact CD2-CD2 3.62Å; Y245-F277 HydrophobicContact CD2-CE1 4.15Å; Y245-F277 AromaticContact CD2-CE2 3.93Å; Y245-F277 HydrophobicContact CD2-CE2 3.93Å; Y245-F277 AromaticContact CD2-CG 3.6Å; Y245-F277 HydrophobicContact CD2-CG 3.6Å; Y245-F277 HydrophobicContact CD2-CZ 4.17Å; Y245-F277 HydrophobicContact CE1-CD1 4.45Å; Y245-F277 AromaticContact CE1-CE1 4Å; Y245-F277 HydrophobicContact CE1-CE1 4Å; Y245-F277 HydrophobicContact CE1-CZ 4.19Å; Y245-F277 HydrophobicContact CE2-CB 3.89Å; Y245-F277 AromaticContact CE2-CD1 3.26Å; Y245-F277 HydrophobicContact CE2-CD1 3.26Å; Y245-F277 AromaticContact CE2-CD2 3.9Å; Y245-F277 HydrophobicContact CE2-CD2 3.9Å; Y245-F277 AromaticContact CE2-CE1 3.64Å; Y245-F277 HydrophobicContact CE2-CE1 3.64Å; Y245-F277 HydrophobicContact CE2-CE2 4.24Å; Y245-F277 AromaticContact CE2-CG 3.39Å; Y245-F277 HydrophobicContact CE2-CG 3.39Å; Y245-F277 HydrophobicContact CE2-CZ 4.11Å; Y245-F277 HydrophobicContact CG-CD2 4.26Å; Y245-F277 HydrophobicContact CG-CE2 4.13Å; Y245-F277 HydrophobicContact CG-CZ 4.29Å; Y245-F277 AromaticContact CZ-CD1 3.6Å; Y245-F277 AromaticContact CZ-CE1 3.55Å; Y245-I279 HydrophobicContact CD2-CD1 4.5Å; Y245-F427 HydrophobicContact CD1-CB 4.38Å; Y245-F427 HydrophobicContact CE1-CB 3.89Å; Y245-F427 AromaticContact CE1-CD1 3.52Å; Y245-F427 HydrophobicContact CE1-CD1 3.52Å; Y245-F427 HydrophobicContact CE1-CE1 4.46Å; Y245-F427 HydrophobicContact CE1-CG 4.09Å; Y245-F427 AromaticContact CZ-CD1 3.82Å; Y245-R430 VanDerWaalsContact OH-CZ 3.31Å; Y245-R430 PolarHBondContact OH-NH1 3.46Å; Y245-R430 VanDerWaalsContact OH-NH1 3.14Å
246T90.7Very high90.2Very high0 Ų037.9 Ų37.90%019%0.193CC..Hα-helixtrans-71.6-43.3-175.851.90000112L242 L243 L248 K249 L250 I424 F427L242-T246 HydrophobicContact CD1-CG2 4.26Å; L242-T246 WeakPolarHBondContact O-CB 3.47Å; L242-T246 VanDerWaalsContact O-CG2 3.26Å; L242-T246 WeakPolarHBondContact O-CG2 3.31Å; L242-T246 PolarHBondContact O-N 3.47Å; L242-T246 PolarHBondContact O-OG1 2.96Å; L243-T246 PolarHBondContact O-N 3.06Å; L243-T246 PolarHBondContact O-OG1 3Å; T246-L248 VanDerWaalsContact C-N 3.35Å; T246-L248 PolarHBondContact O-N 3.31Å; T246-K249 PolarHBondContact O-N 2.82Å; T246-L250 WeakPolarHBondContact O-CB 2.98Å; T246-L250 WeakPolarHBondContact O-CG 3.46Å; T246-L250 PolarHBondContact O-N 3.05Å; T246-I424 HydrophobicContact CG2-CB 4.02Å; T246-I424 HydrophobicContact CG2-CD1 4.37Å; T246-I424 HydrophobicContact CG2-CG2 3.99Å; T246-F427 HydrophobicContact CG2-CB 4Å; T246-F427 HydrophobicContact CG2-CD1 4.41Å; T246-F427 HydrophobicContact CG2-CD2 4.04Å; T246-F427 HydrophobicContact CG2-CG 3.91Å
247L91.6Very high90.2Very high11 Ų1134 Ų346%0.05818%0.175CC..Hα-helixtrans-56.1-46.8176.3-74169.8000112.3L243 Q251 L252 V253 L387 F389 F419L243-L247 HydrophobicContact CB-CD1 4.5Å; L243-L247 VanDerWaalsContact O-CB 3.26Å; L243-L247 WeakPolarHBondContact O-CB 3.48Å; L243-L247 WeakPolarHBondContact O-CG 3.5Å; L243-L247 PolarHBondContact O-N 2.87Å; L247-Q251 PolarHBondContact O-N 3.43Å; L247-L252 HydrophobicContact CD2-CB 4.1Å; L247-L252 HydrophobicContact CD2-CD1 4.05Å; L247-L252 PolarHBondContact O-N 3.29Å; L247-V253 HydrophobicContact CB-CG2 4.07Å; L247-V253 HydrophobicContact CD2-CG2 4.38Å; L247-V253 PolarHBondContact O-N 3.02Å; L247-L387 HydrophobicContact CD1-CD2 3.61Å; L247-F389 HydrophobicContact CD1-CE1 4.27Å; L247-F389 HydrophobicContact CD1-CZ 3.98Å; L247-F419 HydrophobicContact CD2-CD2 4.42Å; L247-F419 HydrophobicContact CD2-CE2 3.76Å; L247-F419 HydrophobicContact CG-CE2 4.42Å
248L91.1Very high90.4Very high18 Ų1829.9 Ų29.99%0.09416%0.156CC..Hα-helixtrans-76.9-45.1-179.2-64.6175.7000112I244 T246 Q251 V253 L259 L274 I279 I307I244-L248 HydrophobicContact CD1-CD1 3.76Å; I244-L248 HydrophobicContact CD1-CD2 4.48Å; I244-L248 HydrophobicContact CD1-CG 3.91Å; I244-L248 HydrophobicContact CG1-CD1 3.77Å; I244-L248 HydrophobicContact CG1-CG 4.31Å; I244-L248 WeakPolarHBondContact O-CB 3.43Å; I244-L248 VanDerWaalsContact O-CG 3.25Å; I244-L248 WeakPolarHBondContact O-CG 2.94Å; I244-L248 PolarHBondContact O-N 2.95Å; I244-L248 VanDerWaalsContact O-N 3.13Å; T246-L248 VanDerWaalsContact C-N 3.35Å; T246-L248 PolarHBondContact O-N 3.31Å; L248-Q251 PolarHBondContact O-N 3.47Å; L248-Q251 VanDerWaalsContact O-N 3.16Å; L248-V253 HydrophobicContact CD2-CB 4.49Å; L248-L259 HydrophobicContact CD1-CD1 4.41Å; L248-L274 HydrophobicContact CD1-CD1 4.1Å; L248-L274 HydrophobicContact CD1-CD2 3.96Å; L248-I279 HydrophobicContact CB-CD1 4.06Å; L248-I279 HydrophobicContact CD1-CG2 4.3Å; L248-I307 HydrophobicContact CD1-CD1 3.95Å; L248-I307 HydrophobicContact CD2-CD1 3.86Å; L248-I307 HydrophobicContact CG-CD1 4.42Å
249K87.8Confident90.5Very high48 Ų4825.9 Ų25.921%0.20914%0.137CC..Hα-helixtrans-72.9-32-174.3-164.469179.9-178.40112.8Y245 T246 F277 I279 K491 I493Y245-K249 HydrophobicContact CD2-CB 4Å; Y245-K249 HydrophobicContact CE2-CB 3.78Å; Y245-K249 HydrophobicContact CE2-CG 3.86Å; Y245-K249 WeakPolarHBondContact O-CB 2.86Å; Y245-K249 PolarHBondContact O-N 2.86Å; T246-K249 PolarHBondContact O-N 2.82Å; K249-F277 PolarHBondContact NZ-O 3.41Å; K249-I279 HydrophobicContact CB-CD1 4.13Å; K249-I279 HydrophobicContact CD-CD1 4.1Å; K249-I279 HydrophobicContact CD-CG1 4.09Å; K249-K491 WeakPolarHBondContact CE-O 3.29Å; K249-K491 PolarHBondContact NZ-O 3.39Å; K249-I493 HydrophobicContact CB-CD1 4.12Å; K249-I493 HydrophobicContact CD-CD1 4.38Å; K249-I493 HydrophobicContact CG-CD1 3.25Å; K249-I493 HydrophobicContact CG-CG1 3.88Å
250L86.8Confident90.6Very high0 Ų025 Ų250%013%0.132CC..THydrogen-bonded Turntrans-85.24174-56.1173.5000112.4T246 L252 F427 I493 L502 V506T246-L250 WeakPolarHBondContact O-CB 2.98Å; T246-L250 WeakPolarHBondContact O-CG 3.46Å; T246-L250 PolarHBondContact O-N 3.05Å; L250-L252 HydrophobicContact CB-CD1 4.41Å; L250-L252 HydrophobicContact CB-CG 4.04Å; L250-L252 PolarHBondContact O-N 2.84Å; L250-F427 HydrophobicContact CD2-CZ 4.09Å; L250-I493 HydrophobicContact CD2-CD1 3.95Å; L250-L502 HydrophobicContact CD1-CD1 3.91Å; L250-V506 HydrophobicContact CB-CG2 4.01Å; L250-V506 HydrophobicContact CD2-CG1 4.37Å; L250-V506 HydrophobicContact CD2-CG2 3.81Å
251Q85.2Confident90.6Very high113 Ų11325 Ų2553%0.52813%0.132SC..THydrogen-bonded Turntrans5534.3179.3-58.3-175.7-31.400113.4L247 L248 V253L247-Q251 PolarHBondContact O-N 3.43Å; L248-Q251 PolarHBondContact O-N 3.47Å; L248-Q251 VanDerWaalsContact O-N 3.16Å; Q251-V253 VanDerWaalsContact C-N 3.27Å
252L86.3Confident90.3Very high69 Ų6927.4 Ų27.436%0.36115%0.152SC..  trans-72.6-28.6174.1-61.9178.5000111.1L247 L250 F419 L502L247-L252 HydrophobicContact CD2-CB 4.1Å; L247-L252 HydrophobicContact CD2-CD1 4.05Å; L247-L252 PolarHBondContact O-N 3.29Å; L250-L252 HydrophobicContact CB-CD1 4.41Å; L250-L252 HydrophobicContact CB-CG 4.04Å; L250-L252 PolarHBondContact O-N 2.84Å; L252-F419 HydrophobicContact CD1-CE2 4.22Å; L252-F419 HydrophobicContact CD1-CZ 4.33Å; L252-L502 HydrophobicContact CD1-CD1 4.34Å; L252-L502 HydrophobicContact CD2-CD1 4.03Å; L252-L502 HydrophobicContact CD2-CD2 3.78Å
253V86.7Confident90.1Very high29 Ų2929.4 Ų29.418%0.17617%0.169CC..SBendtrans-101.6118.9171.3-179.50000107.7L247 L248 Q251 T257 N357 I359L247-V253 HydrophobicContact CB-CG2 4.07Å; L247-V253 HydrophobicContact CD2-CG2 4.38Å; L247-V253 PolarHBondContact O-N 3.02Å; L248-V253 HydrophobicContact CD2-CB 4.49Å; Q251-V253 VanDerWaalsContact C-N 3.27Å; V253-T257 HydrophobicContact CG1-CG2 4.33Å; V253-T257 WeakPolarHBondContact CG1-OG1 3.38Å; V253-N357 HydrophobicContact CG1-CB 3.8Å; V253-N357 VanDerWaalsContact CG1-CG 3.46Å; V253-N357 WeakPolarHBondContact CG1-ND2 3.33Å; V253-I359 HydrophobicContact CG1-CD1 4.39Å; V253-I359 HydrophobicContact CG2-CD1 4.31Å
254Q84.5Confident89.9Confident140 Ų14030.4 Ų30.465%0.65418%0.175SC*.  trans-114.6143.4-177.5-63.6-171.9-5.900111.3N357Q254-N357 PolarHBondContact O-ND2 3.49Å
255G87.4Confident89.7Confident44 Ų4434.4 Ų34.445%0.45420%0.196SC..SBendtrans86.7-174-179.300000113.5T257G255-T257 PolarHBondContact O-N 2.95Å; G255-T257 PolarHBondContact O-OG1 2.96Å; G255-T257 VanDerWaalsContact O-OG1 3.09Å
256K90.4Very high89.7Confident31 Ų3136 Ų3614%0.13520%0.202CC..EExtended strand (participates in β ladder)trans-68.5128.9-173-65.8-171.2-174-172.80110.9F300 N301 D306 S356 N357K256-F300 HydrophobicContact CB-CE1 4.31Å; K256-F300 HydrophobicContact CB-CE2 4.04Å; K256-F300 HydrophobicContact CB-CZ 3.62Å; K256-F300 HydrophobicContact CD-CD1 4.43Å; K256-F300 HydrophobicContact CD-CE1 3.98Å; K256-F300 HydrophobicContact CD-CE2 4.45Å; K256-F300 HydrophobicContact CD-CZ 4.03Å; K256-F300 WeakPolarHBondContact CE-O 3.45Å; K256-F300 HydrophobicContact CG-CE2 4.45Å; K256-F300 HydrophobicContact CG-CZ 4.25Å; K256-F300 PolarHBondContact NZ-O 3.06Å; K256-N301 PolarHBondContact NZ-O 3.2Å; K256-D306 CarbonylContact C-O 3.4Å; K256-D306 WeakPolarHBondContact CA-O 3.35Å; K256-S356 PolarHBondContact O-N 2.75Å; K256-N357 PolarHBondContact O-N 3.25Å
257T92.5Very high89.8Confident2 Ų236 Ų361%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-127.1128.1-169.2-59.10000111.3V253 G255 L259 D306 I307 I308 N357 I359V253-T257 HydrophobicContact CG1-CG2 4.33Å; V253-T257 WeakPolarHBondContact CG1-OG1 3.38Å; G255-T257 PolarHBondContact O-N 2.95Å; G255-T257 PolarHBondContact O-OG1 2.96Å; G255-T257 VanDerWaalsContact O-OG1 3.09Å; T257-L259 HydrophobicContact CG2-CG 4.5Å; T257-D306 PolarHBondContact N-O 3.1Å; T257-I307 WeakPolarHBondContact O-CA 3.42Å; T257-I308 PolarHBondContact O-N 3.23Å; T257-I308 VanDerWaalsContact O-N 3.1Å; T257-N357 CarbonylContact C-O 3.58Å; T257-N357 WeakPolarHBondContact CA-O 3.46Å; T257-N357 HydrophobicContact CG2-CB 4.1Å; T257-N357 PolarHBondContact OG1-ND2 2.8Å; T257-I359 HydrophobicContact CG2-CD1 3.72Å; T257-I359 HydrophobicContact CG2-CG1 4.01Å
258L92.2Very high89.9Confident0 Ų035.5 Ų35.50%020%0.2CC..EExtended strand (participates in β ladder)trans-103.5122.8171.2-71.1176.6000110F260 F300 I308 F352 V355 N357 V358 I359 R376L258-F260 HydrophobicContact CB-CE2 4.19Å; L258-F300 HydrophobicContact CD2-CZ 4.2Å; L258-F300 HydrophobicContact CG-CZ 4.48Å; L258-I308 HydrophobicContact CD2-CB 3.67Å; L258-I308 HydrophobicContact CD2-CD1 4.38Å; L258-I308 HydrophobicContact CD2-CG2 3.92Å; L258-F352 HydrophobicContact CD1-CB 4.29Å; L258-F352 HydrophobicContact CD1-CD1 4.19Å; L258-F352 HydrophobicContact CD1-CD2 3.91Å; L258-F352 HydrophobicContact CD1-CE1 4.5Å; L258-F352 HydrophobicContact CD1-CE2 4.23Å; L258-F352 HydrophobicContact CD1-CG 3.88Å; L258-F352 HydrophobicContact CD2-CD1 3.77Å; L258-F352 HydrophobicContact CD2-CE1 3.67Å; L258-F352 HydrophobicContact CD2-CG 4.32Å; L258-F352 HydrophobicContact CD2-CZ 4.13Å; L258-V355 HydrophobicContact CB-CG1 4.35Å; L258-V355 HydrophobicContact CD1-CB 4.44Å; L258-V355 HydrophobicContact CD1-CG1 3.91Å; L258-V355 HydrophobicContact CD1-CG2 3.73Å; L258-V355 HydrophobicContact CG-CG1 3.9Å; L258-V355 HydrophobicContact CG-CG2 4.11Å; L258-N357 PolarHBondContact N-O 3.41Å; L258-V358 HydrophobicContact CB-CG2 4.45Å; L258-V358 CarbonylContact O-C 3.52Å; L258-V358 WeakPolarHBondContact O-CA 3.28Å; L258-I359 PolarHBondContact O-N 3.03Å; L258-R376 HydrophobicContact CD1-CB 3.55Å; L258-R376 HydrophobicContact CD1-CG 4.07Å
259L93.9Very high90Very high0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-104.7117.7177.7-81161.1000110.1I244 L248 T257 L274 I307 I308 I309 A310 I359I244-L259 HydrophobicContact CD1-CD1 4.21Å; I244-L259 HydrophobicContact CD1-CD2 3.47Å; I244-L259 VanDerWaalsContact CD1-CD2 3.47Å; I244-L259 HydrophobicContact CD1-CG 4.41Å; I244-L259 HydrophobicContact CG1-CD1 4.38Å; I244-L259 HydrophobicContact CG1-CD2 4.04Å; L248-L259 HydrophobicContact CD1-CD1 4.41Å; T257-L259 HydrophobicContact CG2-CG 4.5Å; L259-L274 HydrophobicContact CD1-CD1 4.41Å; L259-I307 HydrophobicContact CD1-CG2 3.58Å; L259-I307 HydrophobicContact CG-CG2 4.49Å; L259-I308 PolarHBondContact N-O 3.31Å; L259-I309 HydrophobicContact CB-CB 4.47Å; L259-I309 HydrophobicContact CB-CG1 4.12Å; L259-I309 HydrophobicContact CD1-CG1 4.09Å; L259-I309 CarbonylContact O-C 3.54Å; L259-I309 VanDerWaalsContact O-CA 3.3Å; L259-I309 WeakPolarHBondContact O-CA 3.42Å; L259-A310 PolarHBondContact O-N 3.15Å; L259-I359 CarbonylContact C-O 3.54Å; L259-I359 WeakPolarHBondContact CA-O 3.5Å; L259-I359 HydrophobicContact CD2-CB 3.47Å; L259-I359 VanDerWaalsContact CD2-CB 3.47Å; L259-I359 HydrophobicContact CD2-CD1 4.12Å; L259-I359 HydrophobicContact CD2-CG1 4.33Å; L259-I359 HydrophobicContact CD2-CG2 3.52Å; L259-I359 HydrophobicContact CG-CB 4.33Å
260F93.4Very high90.3Very high16 Ų1635.8 Ų35.87%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-98.5132.2176.9-73.1-83.2000112.4L258 A310 V358 I359 F361 D362 R373 R376L258-F260 HydrophobicContact CB-CE2 4.19Å; F260-A310 WeakPolarHBondContact CA-O 3.36Å; F260-A310 HydrophobicContact CD1-CB 4.01Å; F260-A310 HydrophobicContact CE1-CB 3.88Å; F260-V358 HydrophobicContact CD2-CG1 3.9Å; F260-V358 HydrophobicContact CE2-CG1 3.93Å; F260-I359 PolarHBondContact N-O 3.13Å; F260-F361 VanDerWaalsContact O-CB 3.31Å; F260-F361 WeakPolarHBondContact O-CB 3.48Å; F260-F361 PolarHBondContact O-N 3.22Å; F260-D362 PolarHBondContact O-N 3.27Å; F260-R373 HydrophobicContact CB-CG 4.48Å; F260-R373 HydrophobicContact CD1-CG 3.83Å; F260-R373 HydrophobicContact CD2-CB 3.88Å; F260-R373 HydrophobicContact CD2-CG 3.82Å; F260-R373 HydrophobicContact CE1-CG 3.92Å; F260-R373 HydrophobicContact CE2-CB 3.77Å; F260-R373 HydrophobicContact CE2-CG 3.91Å; F260-R373 HydrophobicContact CG-CB 4.35Å; F260-R373 HydrophobicContact CG-CG 3.78Å; F260-R373 HydrophobicContact CZ-CB 4.18Å; F260-R373 HydrophobicContact CZ-CG 3.97Å; F260-R376 HydrophobicContact CZ-CG 4.21Å
261V92.8Very high90.6Very high0 Ų037.6 Ų37.60%021%0.206CC..EExtended strand (participates in β ladder)trans-126.8154.4176.1-62.10000111R266 L270 I309 A310 T311 F361 D362V261-R266 HydrophobicContact CB-CG 4.44Å; V261-L270 HydrophobicContact CG1-CD2 3.96Å; V261-I309 HydrophobicContact CG1-CG2 4.04Å; V261-I309 HydrophobicContact CG2-CG2 4.01Å; V261-A310 WeakPolarHBondContact CG2-O 3.44Å; V261-A310 PolarHBondContact N-O 2.79Å; V261-T311 HydrophobicContact CG2-CG2 3.79Å; V261-T311 WeakPolarHBondContact O-CA 3.08Å; V261-F361 HydrophobicContact CG1-CB 4Å; V261-F361 HydrophobicContact CG1-CD1 3.88Å; V261-F361 HydrophobicContact CG1-CG 4.27Å; V261-D362 VanDerWaalsContact CA-OD2 3.28Å; V261-D362 WeakPolarHBondContact CA-OD2 3.27Å; V261-D362 WeakPolarHBondContact CB-OD2 3.41Å
262A89Confident91Very high53 Ų5332.8 Ų32.844%0.43818%0.184SC..SBendtrans-77.4-20.8-174.200000114.2D362A262-D362 HydrophobicContact CB-CB 3.8Å; A262-D362 PolarHBondContact N-OD2 3.04Å
263A89.4Confident91.4Very high44 Ų4429.5 Ų29.536%0.36417%0.167SC..  trans-143.6149.9-172.900000113.6R266 S267 T311A263-R266 HydrophobicContact CB-CB 4.2Å; A263-R266 WeakPolarHBondContact O-CB 3.5Å; A263-R266 PolarHBondContact O-N 3.12Å; A263-R266 VanDerWaalsContact O-N 3.16Å; A263-S267 PolarHBondContact O-N 3.11Å; A263-T311 VanDerWaalsContact C-CG2 3.44Å; A263-T311 WeakPolarHBondContact O-CG2 3.31Å
264V88.9Confident91.7Very high20 Ų2028.1 Ų28.112%0.12116%0.159CC..Hα-helixtrans-60.3-50.4-179.7-179.20000111.4R266 S267 Y268 N285 T311V264-R266 PolarHBondContact O-N 3.43Å; V264-R266 VanDerWaalsContact O-N 3.13Å; V264-S267 WeakPolarHBondContact O-CB 3.49Å; V264-S267 PolarHBondContact O-N 3.14Å; V264-S267 PolarHBondContact O-OG 2.91Å; V264-Y268 HydrophobicContact CG1-CD2 4Å; V264-Y268 HydrophobicContact CG1-CE2 3.67Å; V264-Y268 VanDerWaalsContact O-CD2 3.32Å; V264-Y268 WeakPolarHBondContact O-CD2 3.45Å; V264-Y268 PolarHBondContact O-N 3.07Å; V264-N285 HydrophobicContact CG1-CB 4.19Å; V264-N285 HydrophobicContact CG2-CB 4.2Å; V264-T311 HydrophobicContact CG2-CG2 4.18Å
265D91.4Very high92Very high84 Ų8424.4 Ų24.445%0.44914%0.141SC..Hα-helixtrans-59-32179-69.1-11.9000112.2R269 V443 R447D265-R269 WeakPolarHBondContact O-CB 3.33Å; D265-R269 PolarHBondContact O-N 2.76Å; D265-V443 HydrophobicContact CB-CG1 4.15Å; D265-V443 VanDerWaalsContact O-CG1 3.27Å; D265-V443 WeakPolarHBondContact O-CG1 3.32Å; D265-R447 IonicContact OD1-CZ 3.59Å; D265-R447 IonicContact OD1-NH1 3.03Å; D265-R447 PolarHBondContact OD1-NH1 2.98Å
266R91.9Very high92Very high33 Ų3322.5 Ų22.513%0.12512%0.12CC..Hα-helixtrans-71.7-34.6177-169.2172.7171.180.7-16.3112.2E237 V261 A263 V264 R269 L270 D362E237-R266 IonicContact OE1-CZ 3.54Å; E237-R266 IonicContact OE1-NH1 3.62Å; E237-R266 PolarHBondContact OE1-NH1 2.75Å; E237-R266 IonicContact OE1-NH2 2.93Å; E237-R266 PolarHBondContact OE1-NH2 3.27Å; E237-R266 IonicContact OE2-CZ 2.89Å; E237-R266 IonicContact OE2-NH1 2.85Å; E237-R266 IonicContact OE2-NH2 2.71Å; E237-R266 PolarHBondContact OE2-NH2 3.13Å; V261-R266 HydrophobicContact CB-CG 4.44Å; A263-R266 HydrophobicContact CB-CB 4.2Å; A263-R266 WeakPolarHBondContact O-CB 3.5Å; A263-R266 PolarHBondContact O-N 3.12Å; A263-R266 VanDerWaalsContact O-N 3.16Å; V264-R266 PolarHBondContact O-N 3.43Å; V264-R266 VanDerWaalsContact O-N 3.13Å; R266-R269 PolarHBondContact O-N 3Å; R266-L270 WeakPolarHBondContact O-CB 2.73Å; R266-L270 PolarHBondContact O-N 3.43Å; R266-D362 WeakPolarHBondContact CD-OD2 3.36Å; R266-D362 IonicContact CZ-OD1 3.21Å; R266-D362 IonicContact CZ-OD2 3.14Å; R266-D362 IonicContact NE-OD1 2.8Å; R266-D362 PolarHBondContact NE-OD1 3.33Å; R266-D362 IonicContact NE-OD2 3.35Å; R266-D362 PolarHBondContact NE-OD2 3.46Å; R266-D362 IonicContact NH2-OD1 3.68Å; R266-D362 PolarHBondContact NH2-OD1 3.23Å
267S92.3Very high92Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-60.3-45.4173.474.30000111.8A263 V264 L270 K271 V283A263-S267 PolarHBondContact O-N 3.11Å; V264-S267 WeakPolarHBondContact O-CB 3.49Å; V264-S267 PolarHBondContact O-N 3.14Å; V264-S267 PolarHBondContact O-OG 2.91Å; S267-L270 PolarHBondContact O-N 3.31Å; S267-K271 WeakPolarHBondContact O-CB 3.44Å; S267-K271 PolarHBondContact O-N 3.2Å; S267-V283 VanDerWaalsContact OG-CG1 3.28Å; S267-V283 WeakPolarHBondContact OG-CG1 3.17Å
268Y92.9Very high91.8Very high1 Ų123.3 Ų23.30%0.00413%0.133CC..Hα-helixtrans-67.9-40.2175.7-74.6-80.3000112.1V264 L270 K271 L272 V283 N285 A446 R447 E450V264-Y268 HydrophobicContact CG1-CD2 4Å; V264-Y268 HydrophobicContact CG1-CE2 3.67Å; V264-Y268 VanDerWaalsContact O-CD2 3.32Å; V264-Y268 WeakPolarHBondContact O-CD2 3.45Å; V264-Y268 PolarHBondContact O-N 3.07Å; Y268-L270 VanDerWaalsContact C-N 3.32Å; Y268-L270 PolarHBondContact O-N 3.09Å; Y268-K271 PolarHBondContact O-N 2.56Å; Y268-L272 WeakPolarHBondContact O-CB 3.1Å; Y268-L272 VanDerWaalsContact O-CG 3.3Å; Y268-L272 WeakPolarHBondContact O-CG 2.79Å; Y268-L272 PolarHBondContact O-N 3.21Å; Y268-V283 HydrophobicContact CE2-CG1 4.29Å; Y268-N285 WeakPolarHBondContact CE2-ND2 3.05Å; Y268-N285 PolarHBondContact OH-ND2 3.4Å; Y268-A446 HydrophobicContact CD1-CB 4.37Å; Y268-R447 HydrophobicContact CD1-CB 4.33Å; Y268-R447 HydrophobicContact CD2-CB 3.94Å; Y268-R447 HydrophobicContact CD2-CG 4.16Å; Y268-R447 HydrophobicContact CE1-CB 4.18Å; Y268-R447 HydrophobicContact CE2-CB 3.8Å; Y268-R447 HydrophobicContact CE2-CG 3.66Å; Y268-R447 HydrophobicContact CG-CB 4.21Å; Y268-E450 HydrophobicContact CE1-CB 4.39Å; Y268-E450 VanDerWaalsContact CE1-OE2 3.25Å; Y268-E450 WeakPolarHBondContact CE1-OE2 3.16Å
269R94.3Very high91.6Very high72 Ų7224 Ų2427%0.27214%0.137SC..Hα-helixtrans-58-45.2173.9-175.1-177.9174.298-2.1111.4F241 D265 R266 F273 V438 V443F241-R269 HydrophobicContact CZ-CG 4.49Å; D265-R269 WeakPolarHBondContact O-CB 3.33Å; D265-R269 PolarHBondContact O-N 2.76Å; R266-R269 PolarHBondContact O-N 3Å; R269-F273 VanDerWaalsContact O-CB 3.28Å; R269-F273 WeakPolarHBondContact O-CB 3.43Å; R269-F273 PolarHBondContact O-N 3.25Å; R269-V438 HydrophobicContact CB-CG1 4.42Å; R269-V438 HydrophobicContact CG-CG1 3.83Å; R269-V443 HydrophobicContact CB-CG2 3.82Å; R269-V443 HydrophobicContact CG-CG2 4.29Å
270L94.5Very high91.2Very high0 Ų028 Ų280%016%0.162CC..Hα-helixtrans-67.4-42.9178.3-177.459.3000111.6F241 I244 V261 R266 S267 Y268 F273 L274 I309 F361F241-L270 HydrophobicContact CD1-CD1 4.2Å; F241-L270 HydrophobicContact CE1-CD1 3.98Å; I244-L270 HydrophobicContact CG2-CD1 3.99Å; V261-L270 HydrophobicContact CG1-CD2 3.96Å; R266-L270 WeakPolarHBondContact O-CB 2.73Å; R266-L270 PolarHBondContact O-N 3.43Å; S267-L270 PolarHBondContact O-N 3.31Å; Y268-L270 VanDerWaalsContact C-N 3.32Å; Y268-L270 PolarHBondContact O-N 3.09Å; L270-F273 HydrophobicContact CD1-CD1 4.3Å; L270-F273 WeakPolarHBondContact O-CB 3.34Å; L270-F273 PolarHBondContact O-N 3.28Å; L270-L274 HydrophobicContact CD1-CD1 4.36Å; L270-L274 HydrophobicContact CD1-CG 4.21Å; L270-L274 HydrophobicContact CG-CD1 4.26Å; L270-L274 WeakPolarHBondContact O-CG 3.4Å; L270-L274 PolarHBondContact O-N 2.85Å; L270-I309 HydrophobicContact CB-CD1 4.15Å; L270-I309 HydrophobicContact CD2-CD1 4.14Å; L270-I309 HydrophobicContact CD2-CG1 4.29Å; L270-I309 HydrophobicContact CD2-CG2 4.17Å; L270-I309 HydrophobicContact CG-CD1 3.89Å; L270-F361 HydrophobicContact CD1-CE2 4.2Å; L270-F361 HydrophobicContact CD1-CZ 4.2Å; L270-F361 HydrophobicContact CD2-CD1 4.32Å; L270-F361 HydrophobicContact CD2-CD2 4.27Å; L270-F361 HydrophobicContact CD2-CG 4.15Å
271K93.4Very high91.1Very high39 Ų3927.5 Ų27.517%0.1716%0.162CC..Hα-helixtrans-54.9-55.9173.3174178.3170.1-175.10111.6S267 Y268 F273 L274 E275 V283 I309 E450S267-K271 WeakPolarHBondContact O-CB 3.44Å; S267-K271 PolarHBondContact O-N 3.2Å; Y268-K271 PolarHBondContact O-N 2.56Å; K271-F273 PolarHBondContact O-N 3.48Å; K271-L274 PolarHBondContact O-N 3.23Å; K271-L274 VanDerWaalsContact O-N 3.15Å; K271-E275 VanDerWaalsContact CE-OE1 3.28Å; K271-E275 WeakPolarHBondContact CE-OE1 3.41Å; K271-E275 WeakPolarHBondContact O-CG 3.34Å; K271-E275 PolarHBondContact O-N 3.4Å; K271-V283 HydrophobicContact CB-CG2 3.75Å; K271-V283 HydrophobicContact CD-CB 4.35Å; K271-V283 HydrophobicContact CD-CG2 3.56Å; K271-V283 HydrophobicContact CG-CG2 4.22Å; K271-I309 HydrophobicContact CB-CD1 3.97Å; K271-E450 IonicContact NZ-OE2 3.21Å; K271-E450 PolarHBondContact NZ-OE2 2.96Å; K271-E450 VanDerWaalsContact NZ-OE2 3.12Å
272L92.3Very high90.9Very high11 Ų1128.2 Ų28.26%0.05817%0.166CC..Hα-helixtrans-60.4-34.6-180-68.9177.4000112.2Y268 Q276 V438 A442 V443 A446 A484Y268-L272 WeakPolarHBondContact O-CB 3.1Å; Y268-L272 VanDerWaalsContact O-CG 3.3Å; Y268-L272 WeakPolarHBondContact O-CG 2.79Å; Y268-L272 PolarHBondContact O-N 3.21Å; L272-Q276 WeakPolarHBondContact O-CG 3.41Å; L272-Q276 PolarHBondContact O-N 3.49Å; L272-V438 HydrophobicContact CB-CG1 3.83Å; L272-V438 HydrophobicContact CB-CG2 3.95Å; L272-V438 HydrophobicContact CD1-CG1 4.11Å; L272-A442 HydrophobicContact CD1-CB 4.41Å; L272-V443 HydrophobicContact CD1-CG2 4.09Å; L272-A446 HydrophobicContact CD1-CB 3.99Å; L272-A446 HydrophobicContact CD2-CB 4.14Å; L272-A446 HydrophobicContact CG-CB 4.36Å; L272-A484 HydrophobicContact CD1-CB 4.33Å; L272-A484 HydrophobicContact CD2-CB 3.9Å
273F94.1Very high91Very high1 Ų125.7 Ų25.70%0.00415%0.146CC..Hα-helixtrans-67.2-46.3175.5171.1-95.7000112F241 I244 R269 L270 K271 E275 Q276 F277 A434 M435 V438F241-F273 HydrophobicContact CB-CE1 4.2Å; F241-F273 HydrophobicContact CB-CE2 4.4Å; F241-F273 HydrophobicContact CB-CZ 3.94Å; F241-F273 HydrophobicContact CD1-CB 4.47Å; F241-F273 AromaticContact CD1-CD1 3.72Å; F241-F273 HydrophobicContact CD1-CD1 3.72Å; F241-F273 HydrophobicContact CD1-CD2 4.14Å; F241-F273 AromaticContact CD1-CE1 3.85Å; F241-F273 HydrophobicContact CD1-CE1 3.85Å; F241-F273 HydrophobicContact CD1-CE2 4.26Å; F241-F273 AromaticContact CD1-CG 3.85Å; F241-F273 HydrophobicContact CD1-CG 3.85Å; F241-F273 HydrophobicContact CD1-CZ 4.12Å; F241-F273 HydrophobicContact CE1-CB 4.41Å; F241-F273 HydrophobicContact CE1-CD1 4.36Å; F241-F273 HydrophobicContact CE1-CG 4.27Å; I244-F273 HydrophobicContact CG2-CE1 4.47Å; R269-F273 VanDerWaalsContact O-CB 3.28Å; R269-F273 WeakPolarHBondContact O-CB 3.43Å; R269-F273 PolarHBondContact O-N 3.25Å; L270-F273 HydrophobicContact CD1-CD1 4.3Å; L270-F273 WeakPolarHBondContact O-CB 3.34Å; L270-F273 PolarHBondContact O-N 3.28Å; K271-F273 PolarHBondContact O-N 3.48Å; F273-E275 VanDerWaalsContact C-N 3.32Å; F273-E275 PolarHBondContact O-N 3.31Å; F273-Q276 WeakPolarHBondContact O-CB 3.36Å; F273-Q276 PolarHBondContact O-N 2.88Å; F273-F277 HydrophobicContact CD1-CE2 4.39Å; F273-F277 HydrophobicContact CD2-CE2 4.19Å; F273-F277 HydrophobicContact CE1-CD2 4.45Å; F273-F277 AromaticContact CE1-CE2 3.95Å; F273-F277 HydrophobicContact CE1-CE2 3.95Å; F273-F277 AromaticContact CE2-CE2 3.72Å; F273-F277 HydrophobicContact CE2-CE2 3.72Å; F273-F277 HydrophobicContact CE2-CZ 4.32Å; F273-F277 HydrophobicContact CZ-CD2 4.5Å; F273-F277 AromaticContact CZ-CE2 3.59Å; F273-F277 HydrophobicContact CZ-CE2 3.59Å; F273-F277 HydrophobicContact CZ-CZ 4.32Å; F273-F277 VanDerWaalsContact O-CD2 3.28Å; F273-F277 WeakPolarHBondContact O-CD2 3.15Å; F273-A434 HydrophobicContact CD2-CB 3.79Å; F273-A434 HydrophobicContact CE2-CB 3.73Å; F273-M435 HydrophobicContact CD2-CG 3.93Å; F273-M435 HydrophobicContact CE2-CG 3.74Å; F273-V438 HydrophobicContact CB-CG2 4.23Å
274L92.9Very high90.9Very high0 Ų024.5 Ų24.50%013%0.133CC..Hα-helixtrans-65.7-35.1177.6-69.5179.4000112.2L248 L259 L270 K271 Q276 F277 A278 I279 A281 I309L248-L274 HydrophobicContact CD1-CD1 4.1Å; L248-L274 HydrophobicContact CD1-CD2 3.96Å; L259-L274 HydrophobicContact CD1-CD1 4.41Å; L270-L274 HydrophobicContact CD1-CD1 4.36Å; L270-L274 HydrophobicContact CD1-CG 4.21Å; L270-L274 HydrophobicContact CG-CD1 4.26Å; L270-L274 WeakPolarHBondContact O-CG 3.4Å; L270-L274 PolarHBondContact O-N 2.85Å; K271-L274 PolarHBondContact O-N 3.23Å; K271-L274 VanDerWaalsContact O-N 3.15Å; L274-Q276 VanDerWaalsContact C-N 3.27Å; L274-Q276 PolarHBondContact O-N 3.25Å; L274-F277 CarbonylContact O-C 3.4Å; L274-F277 PolarHBondContact O-N 2.87Å; L274-A278 PolarHBondContact O-N 3.16Å; L274-I279 HydrophobicContact CB-CB 4.15Å; L274-I279 HydrophobicContact CB-CG2 4.43Å; L274-I279 HydrophobicContact CD2-CD1 4.05Å; L274-I279 PolarHBondContact O-N 2.62Å; L274-I279 VanDerWaalsContact O-N 3.11Å; L274-A281 HydrophobicContact CD1-CB 4.22Å; L274-I309 HydrophobicContact CD1-CD1 4.22Å
275E90.8Very high90.7Very high62 Ų6223.8 Ų23.829%0.2913%0.128SC..Hα-helixtrans-60.6-32.3174.4-76.4176.1-179.400112.7K271 F273 F277 A278K271-E275 VanDerWaalsContact CE-OE1 3.28Å; K271-E275 WeakPolarHBondContact CE-OE1 3.41Å; K271-E275 WeakPolarHBondContact O-CG 3.34Å; K271-E275 PolarHBondContact O-N 3.4Å; F273-E275 VanDerWaalsContact C-N 3.32Å; F273-E275 PolarHBondContact O-N 3.31Å; E275-F277 PolarHBondContact O-N 3.1Å; E275-F277 VanDerWaalsContact O-N 3.14Å; E275-A278 PolarHBondContact O-N 3.31Å
276Q89.3Confident90Very high3 Ų322 Ų221%0.01412%0.123CC..Hα-helixtrans-57.9-28.3173.3-63.7-61.5-42.200112.4L272 F273 L274 A434 V485 M490L272-Q276 WeakPolarHBondContact O-CG 3.41Å; L272-Q276 PolarHBondContact O-N 3.49Å; F273-Q276 WeakPolarHBondContact O-CB 3.36Å; F273-Q276 PolarHBondContact O-N 2.88Å; L274-Q276 VanDerWaalsContact C-N 3.27Å; L274-Q276 PolarHBondContact O-N 3.25Å; Q276-A434 HydrophobicContact CB-CB 4Å; Q276-A434 HydrophobicContact CG-CB 4.08Å; Q276-V485 PolarHBondContact NE2-O 2.81Å; Q276-V485 PolarHBondContact OE1-O 2.93Å; Q276-M490 WeakPolarHBondContact O-CB 3.35Å
277F89.3Confident89.4Confident0 Ų024 Ų240%013%0.133CC..THydrogen-bonded Turntrans-100.510179.1-56.1-71.7000112.9Y245 K249 F273 L274 E275 I279 R430 A434 M490Y245-F277 HydrophobicContact CD1-CZ 4.31Å; Y245-F277 HydrophobicContact CD2-CB 4.14Å; Y245-F277 AromaticContact CD2-CD1 3.89Å; Y245-F277 HydrophobicContact CD2-CD1 3.89Å; Y245-F277 AromaticContact CD2-CD2 3.62Å; Y245-F277 HydrophobicContact CD2-CD2 3.62Å; Y245-F277 HydrophobicContact CD2-CE1 4.15Å; Y245-F277 AromaticContact CD2-CE2 3.93Å; Y245-F277 HydrophobicContact CD2-CE2 3.93Å; Y245-F277 AromaticContact CD2-CG 3.6Å; Y245-F277 HydrophobicContact CD2-CG 3.6Å; Y245-F277 HydrophobicContact CD2-CZ 4.17Å; Y245-F277 HydrophobicContact CE1-CD1 4.45Å; Y245-F277 AromaticContact CE1-CE1 4Å; Y245-F277 HydrophobicContact CE1-CE1 4Å; Y245-F277 HydrophobicContact CE1-CZ 4.19Å; Y245-F277 HydrophobicContact CE2-CB 3.89Å; Y245-F277 AromaticContact CE2-CD1 3.26Å; Y245-F277 HydrophobicContact CE2-CD1 3.26Å; Y245-F277 AromaticContact CE2-CD2 3.9Å; Y245-F277 HydrophobicContact CE2-CD2 3.9Å; Y245-F277 AromaticContact CE2-CE1 3.64Å; Y245-F277 HydrophobicContact CE2-CE1 3.64Å; Y245-F277 HydrophobicContact CE2-CE2 4.24Å; Y245-F277 AromaticContact CE2-CG 3.39Å; Y245-F277 HydrophobicContact CE2-CG 3.39Å; Y245-F277 HydrophobicContact CE2-CZ 4.11Å; Y245-F277 HydrophobicContact CG-CD2 4.26Å; Y245-F277 HydrophobicContact CG-CE2 4.13Å; Y245-F277 HydrophobicContact CG-CZ 4.29Å; Y245-F277 AromaticContact CZ-CD1 3.6Å; Y245-F277 AromaticContact CZ-CE1 3.55Å; K249-F277 PolarHBondContact NZ-O 3.41Å; F273-F277 HydrophobicContact CD1-CE2 4.39Å; F273-F277 HydrophobicContact CD2-CE2 4.19Å; F273-F277 HydrophobicContact CE1-CD2 4.45Å; F273-F277 AromaticContact CE1-CE2 3.95Å; F273-F277 HydrophobicContact CE1-CE2 3.95Å; F273-F277 AromaticContact CE2-CE2 3.72Å; F273-F277 HydrophobicContact CE2-CE2 3.72Å; F273-F277 HydrophobicContact CE2-CZ 4.32Å; F273-F277 HydrophobicContact CZ-CD2 4.5Å; F273-F277 AromaticContact CZ-CE2 3.59Å; F273-F277 HydrophobicContact CZ-CE2 3.59Å; F273-F277 HydrophobicContact CZ-CZ 4.32Å; F273-F277 VanDerWaalsContact O-CD2 3.28Å; F273-F277 WeakPolarHBondContact O-CD2 3.15Å; L274-F277 CarbonylContact O-C 3.4Å; L274-F277 PolarHBondContact O-N 2.87Å; E275-F277 PolarHBondContact O-N 3.1Å; E275-F277 VanDerWaalsContact O-N 3.14Å; F277-I279 VanDerWaalsContact C-N 3.26Å; F277-I279 HydrophobicContact CB-CD1 4.07Å; F277-I279 HydrophobicContact CB-CG1 4.23Å; F277-I279 PolarHBondContact O-N 3.07Å; F277-R430 HydrophobicContact CE1-CB 4.25Å; F277-A434 HydrophobicContact CE1-CB 4.42Å; F277-A434 HydrophobicContact CE2-CB 3.6Å; F277-A434 HydrophobicContact CZ-CB 3.44Å; F277-A434 VanDerWaalsContact CZ-CB 3.44Å; F277-M490 HydrophobicContact CD1-CB 4.47Å; F277-M490 HydrophobicContact CD1-CE 4.43Å; F277-M490 HydrophobicContact CE1-CE 3.48Å; F277-M490 VanDerWaalsContact CE1-CE 3.48Å; F277-M490 HydrophobicContact CE1-SD 4.49Å; F277-M490 HydrophobicContact CZ-CE 3.84Å
278A87.8Confident88.6Confident51 Ų5124.2 Ų24.242%0.42113%0.134SC..THydrogen-bonded Turntrans54.939.7-174.900000113.2L274 E275 K491L274-A278 PolarHBondContact O-N 3.16Å; E275-A278 PolarHBondContact O-N 3.31Å; A278-K491 HydrophobicContact CB-CB 4.4Å; A278-K491 HydrophobicContact CB-CD 4.07Å; A278-K491 HydrophobicContact CB-CG 3.77Å
279I89.2Confident87.7Confident14 Ų1426.7 Ų26.77%0.07215%0.151CC..  trans-98.3109.5171.2-60.8168.5000106.6Y245 L248 K249 L274 F277 A281 I307Y245-I279 HydrophobicContact CD2-CD1 4.5Å; L248-I279 HydrophobicContact CB-CD1 4.06Å; L248-I279 HydrophobicContact CD1-CG2 4.3Å; K249-I279 HydrophobicContact CB-CD1 4.13Å; K249-I279 HydrophobicContact CD-CD1 4.1Å; K249-I279 HydrophobicContact CD-CG1 4.09Å; L274-I279 HydrophobicContact CB-CB 4.15Å; L274-I279 HydrophobicContact CB-CG2 4.43Å; L274-I279 HydrophobicContact CD2-CD1 4.05Å; L274-I279 PolarHBondContact O-N 2.62Å; L274-I279 VanDerWaalsContact O-N 3.11Å; F277-I279 VanDerWaalsContact C-N 3.26Å; F277-I279 HydrophobicContact CB-CD1 4.07Å; F277-I279 HydrophobicContact CB-CG1 4.23Å; F277-I279 PolarHBondContact O-N 3.07Å; I279-A281 PolarHBondContact O-N 3.43Å; I279-I307 HydrophobicContact CG2-CD1 3.65Å
280P86.1Confident86.5Confident83 Ų8323.9 Ų23.954%0.53914%0.141SC..  trans-71.4128.7-179.229.1-32.9000110.1Y305P280-Y305 HydrophobicContact CB-CD1 4.43Å
281A89.9Confident85.3Confident7 Ų729.2 Ų29.26%0.05817%0.167CC..  trans-143.2140.717600000110.5L274 I279 I307 I309L274-A281 HydrophobicContact CD1-CB 4.22Å; I279-A281 PolarHBondContact O-N 3.43Å; A281-I307 WeakPolarHBondContact CA-O 3.36Å; A281-I307 HydrophobicContact CB-CB 4.24Å; A281-I307 HydrophobicContact CB-CG2 4.02Å; A281-I309 HydrophobicContact CB-CD1 3.94Å; A281-I309 HydrophobicContact CB-CG1 4.3Å
282C89.8Confident84.5Confident14 Ų1428 Ų2810%0.09516%0.163CC..EExtended strand (participates in β ladder)trans-97.7149172.3-76.90000110.8I296 Y305 I307 I308 I309C282-I296 HydrophobicContact CB-CG2 4.01Å; C282-Y305 WeakPolarHBondContact SG-CD1 3.36Å; C282-Y305 WeakPolarHBondContact SG-CD2 3.28Å; C282-Y305 WeakPolarHBondContact SG-CE1 3.38Å; C282-Y305 WeakPolarHBondContact SG-CE2 3.47Å; C282-I307 PolarHBondContact N-O 3.07Å; C282-I308 HydrophobicContact CB-CG1 4.31Å; C282-I308 CarbonylContact O-C 3.47Å; C282-I308 WeakPolarHBondContact O-CA 3.3Å; C282-I309 PolarHBondContact O-N 2.99Å
283V90.5Very high83.8Confident1 Ų127.8 Ų27.81%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-101.7132.7172.3166.50000108.6S267 Y268 K271 N285 I309S267-V283 VanDerWaalsContact OG-CG1 3.28Å; S267-V283 WeakPolarHBondContact OG-CG1 3.17Å; Y268-V283 HydrophobicContact CE2-CG1 4.29Å; K271-V283 HydrophobicContact CB-CG2 3.75Å; K271-V283 HydrophobicContact CD-CB 4.35Å; K271-V283 HydrophobicContact CD-CG2 3.56Å; K271-V283 HydrophobicContact CG-CG2 4.22Å; V283-N285 HydrophobicContact CG1-CB 4.36Å; V283-N285 VanDerWaalsContact CG1-ND2 3.33Å; V283-N285 WeakPolarHBondContact CG1-ND2 3.48Å; V283-I309 CarbonylContact C-O 3.54Å; V283-I309 WeakPolarHBondContact CA-O 3.45Å; V283-I309 HydrophobicContact CG2-CB 4.33Å
284L87.2Confident82.7Confident18 Ų1828.7 Ų28.79%0.09417%0.167CC..EExtended strand (participates in β ladder)trans-120.6110.1173.2-176.971.7000108.2R293 I296 I297 I308 I309 A310 T311 F352L284-R293 HydrophobicContact CD1-CB 3.75Å; L284-R293 HydrophobicContact CD1-CG 3.82Å; L284-I296 HydrophobicContact CD1-CG2 4.47Å; L284-I297 HydrophobicContact CD1-CG1 4.48Å; L284-I297 HydrophobicContact CD2-CD1 4.33Å; L284-I297 HydrophobicContact CD2-CG1 4.25Å; L284-I308 HydrophobicContact CB-CG2 3.79Å; L284-I308 HydrophobicContact CD2-CG2 4.46Å; L284-I309 PolarHBondContact N-O 3.47Å; L284-A310 HydrophobicContact CB-CB 4.45Å; L284-A310 VanDerWaalsContact O-CA 3.3Å; L284-A310 WeakPolarHBondContact O-CA 3.16Å; L284-T311 PolarHBondContact O-N 3.05Å; L284-F352 HydrophobicContact CD2-CE1 4.1Å; L284-F352 HydrophobicContact CD2-CZ 3.59Å
285N85.1Confident81.9Confident5 Ų533.9 Ų33.93%0.02719%0.192CC..  trans-137.6171.5-179.66752.2000111.9V264 Y268 V283 E287 L288 R293V264-N285 HydrophobicContact CG1-CB 4.19Å; V264-N285 HydrophobicContact CG2-CB 4.2Å; Y268-N285 WeakPolarHBondContact CE2-ND2 3.05Å; Y268-N285 PolarHBondContact OH-ND2 3.4Å; V283-N285 HydrophobicContact CG1-CB 4.36Å; V283-N285 VanDerWaalsContact CG1-ND2 3.33Å; V283-N285 WeakPolarHBondContact CG1-ND2 3.48Å; N285-E287 VanDerWaalsContact C-N 3.26Å; N285-E287 PolarHBondContact O-N 3.29Å; N285-E287 WeakPolarHBondContact OD1-CB 3.22Å; N285-E287 PolarHBondContact OD1-N 2.92Å; N285-L288 PolarHBondContact OD1-N 3.19Å; N285-R293 VanDerWaalsContact O-CD 3.28Å; N285-R293 WeakPolarHBondContact O-CD 3.43Å
286S75.9Confident81.5Confident47 Ų4731.8 Ų31.833%0.32918%0.182SC..THydrogen-bonded Turntrans-62.5-23.6-178.946.20000116.5
287E79.7Confident81.1Confident74 Ų7431.7 Ų31.735%0.34618%0.182SC..THydrogen-bonded Turntrans-89.7-16.1-169.7-57.2-178.2178.300112.4N285 R447N285-E287 VanDerWaalsContact C-N 3.26Å; N285-E287 PolarHBondContact O-N 3.29Å; N285-E287 WeakPolarHBondContact OD1-CB 3.22Å; N285-E287 PolarHBondContact OD1-N 2.92Å; E287-R447 IonicContact OE1-CZ 3.12Å; E287-R447 VanDerWaalsContact OE1-CZ 3.23Å; E287-R447 IonicContact OE1-NE 3.57Å; E287-R447 IonicContact OE1-NH1 3.99Å; E287-R447 IonicContact OE1-NH2 3.75Å; E287-R447 PolarHBondContact OE1-NH2 3.27Å; E287-R447 IonicContact OE2-CZ 3.13Å; E287-R447 IonicContact OE2-NE 3.6Å; E287-R447 PolarHBondContact OE2-NE 2.89Å; E287-R447 IonicContact OE2-NH2 2.67Å; E287-R447 PolarHBondContact OE2-NH2 2.93Å
288L75.3Confident80.4Confident5 Ų533.8 Ų33.83%0.02620%0.196CC..SBendtrans-74139.2173.7-63.1178.4000110.2N285 R293 I296 E450 E454N285-L288 PolarHBondContact OD1-N 3.19Å; L288-R293 HydrophobicContact CB-CG 3.86Å; L288-R293 PolarHBondContact O-NE 3.41Å; L288-I296 HydrophobicContact CD1-CD1 3.72Å; L288-E450 HydrophobicContact CD2-CG 3.95Å; L288-E454 HydrophobicContact CD2-CG 4.39Å
289P75Confident80Confident54 Ų5433.4 Ų33.435%0.35119%0.186SC..  trans-54.1150171.6-23.132.8000111.4Q291 S292 R293 E454P289-Q291 PolarHBondContact O-N 2.71Å; P289-S292 WeakPolarHBondContact O-CB 3.19Å; P289-S292 PolarHBondContact O-N 3.1Å; P289-S292 VanDerWaalsContact O-N 3.14Å; P289-R293 WeakPolarHBondContact O-CG 3.32Å; P289-R293 PolarHBondContact O-N 3.39Å; P289-E454 HydrophobicContact CG-CB 4.04Å; P289-E454 HydrophobicContact CG-CG 4.34Å
290V68.8Low79.8Confident12 Ų1232.8 Ų32.87%0.07318%0.182CC..Hα-helixtrans-45.9-49.8177.1164.40000113.1S292 R293 C294 E343 V346V290-S292 PolarHBondContact O-N 2.91Å; V290-R293 WeakPolarHBondContact O-CB 3.37Å; V290-R293 PolarHBondContact O-N 3.4Å; V290-R293 VanDerWaalsContact O-N 3.15Å; V290-C294 PolarHBondContact O-N 2.83Å; V290-C294 PolarHBondContact O-SG 3.22Å; V290-E343 HydrophobicContact CG2-CB 3.83Å; V290-E343 HydrophobicContact CG2-CG 3.75Å; V290-E343 WeakPolarHBondContact CG2-O 3.29Å; V290-V346 HydrophobicContact CB-CB 4.1Å; V290-V346 HydrophobicContact CB-CG1 4.45Å; V290-V346 HydrophobicContact CG1-CB 3.29Å; V290-V346 HydrophobicContact CG1-CG1 3.19Å; V290-V346 HydrophobicContact CG1-CG2 3.95Å; V290-V346 HydrophobicContact CG2-CB 3.66Å; V290-V346 HydrophobicContact CG2-CG1 4.49Å; V290-V346 HydrophobicContact CG2-CG2 3.8Å
291Q68.6Low79.6Confident113 Ų11330.1 Ų30.153%0.52816%0.164SC..Hα-helixtrans-64.3-37.1-171.7-59.8-174.30.700111P289 C294 H295P289-Q291 PolarHBondContact O-N 2.71Å; Q291-C294 PolarHBondContact O-N 2.84Å; Q291-H295 WeakPolarHBondContact O-CB 3.39Å; Q291-H295 PolarHBondContact O-N 2.97Å
292S76.6Confident79Confident12 Ų1236 Ų368%0.08419%0.19CC..Hα-helixtrans-68.9-42.7176.6-28.10000110.3P289 V290 C294 H295 I296 E454P289-S292 WeakPolarHBondContact O-CB 3.19Å; P289-S292 PolarHBondContact O-N 3.1Å; P289-S292 VanDerWaalsContact O-N 3.14Å; V290-S292 PolarHBondContact O-N 2.91Å; S292-C294 PolarHBondContact O-N 2.9Å; S292-H295 WeakPolarHBondContact O-CB 3.28Å; S292-H295 PolarHBondContact O-N 3.16Å; S292-I296 WeakPolarHBondContact O-CD1 3.25Å; S292-I296 VanDerWaalsContact O-CG1 3.26Å; S292-I296 WeakPolarHBondContact O-CG1 3.33Å; S292-I296 PolarHBondContact O-N 3.49Å; S292-E454 WeakPolarHBondContact CB-OE1 3.35Å; S292-E454 WeakPolarHBondContact CB-OE2 3.33Å; S292-E454 PolarHBondContact OG-OE1 2.87Å; S292-E454 PolarHBondContact OG-OE2 3.47Å
293R78.1Confident78.6Confident7 Ų737.1 Ų37.13%0.02620%0.204CC..Hα-helixtrans-58.3-48.2171.7-64.7-172.3-64.7154.73.4111.8L284 N285 L288 P289 V290 H295 I296 I297 E343 Y344 S347L284-R293 HydrophobicContact CD1-CB 3.75Å; L284-R293 HydrophobicContact CD1-CG 3.82Å; N285-R293 VanDerWaalsContact O-CD 3.28Å; N285-R293 WeakPolarHBondContact O-CD 3.43Å; L288-R293 HydrophobicContact CB-CG 3.86Å; L288-R293 PolarHBondContact O-NE 3.41Å; P289-R293 WeakPolarHBondContact O-CG 3.32Å; P289-R293 PolarHBondContact O-N 3.39Å; V290-R293 WeakPolarHBondContact O-CB 3.37Å; V290-R293 PolarHBondContact O-N 3.4Å; V290-R293 VanDerWaalsContact O-N 3.15Å; R293-H295 VanDerWaalsContact C-N 3.31Å; R293-H295 PolarHBondContact O-N 2.89Å; R293-I296 PolarHBondContact O-N 3.41Å; R293-I297 VanDerWaalsContact O-CG1 3.3Å; R293-I297 WeakPolarHBondContact O-CG1 3.44Å; R293-I297 PolarHBondContact O-N 2.99Å; R293-I297 VanDerWaalsContact O-N 3.08Å; R293-E343 PolarHBondContact NH2-O 3.18Å; R293-E343 VanDerWaalsContact NH2-O 3.12Å; R293-Y344 PolarHBondContact NH1-O 3.25Å; R293-Y344 VanDerWaalsContact NH1-O 3.09Å; R293-Y344 PolarHBondContact NH2-O 3.17Å; R293-S347 PolarHBondContact NH1-OG 3.21Å
294C71.4Confident78.1Confident20 Ų2043.6 Ų43.614%0.13523%0.232CC..Hα-helixtrans-60.5-40.4175.2-63.90000112V290 Q291 S292 I297 S298 V350V290-C294 PolarHBondContact O-N 2.83Å; V290-C294 PolarHBondContact O-SG 3.22Å; Q291-C294 PolarHBondContact O-N 2.84Å; S292-C294 PolarHBondContact O-N 2.9Å; C294-I297 PolarHBondContact O-N 2.96Å; C294-S298 WeakPolarHBondContact O-CB 3.29Å; C294-S298 PolarHBondContact O-N 2.94Å; C294-V350 HydrophobicContact CB-CG2 3.81Å; C294-V350 VanDerWaalsContact SG-CG2 3.54Å
295H76.1Confident78Confident110 Ų11046.4 Ų46.451%0.50924%0.242SC..Hα-helixtrans-64.4-44.7178.1-173.465.6000112Q291 S292 R293 I297 S298 Q299Q291-H295 WeakPolarHBondContact O-CB 3.39Å; Q291-H295 PolarHBondContact O-N 2.97Å; S292-H295 WeakPolarHBondContact O-CB 3.28Å; S292-H295 PolarHBondContact O-N 3.16Å; R293-H295 VanDerWaalsContact C-N 3.31Å; R293-H295 PolarHBondContact O-N 2.89Å; H295-I297 PolarHBondContact O-N 2.81Å; H295-S298 WeakPolarHBondContact O-CB 3.35Å; H295-S298 PolarHBondContact O-N 2.79Å; H295-Q299 PolarHBondContact NE2-NE2 2.86Å; H295-Q299 WeakPolarHBondContact O-CG 3.2Å; H295-Q299 PolarHBondContact O-N 2.9Å
296I81.7Confident78.2Confident18 Ų1850.4 Ų50.49%0.09226%0.264CS..Hα-helixtrans-59.4-46.7176.1-69.1161.4000110.6C282 L284 L288 S292 R293 S298 Q299 F300 I308C282-I296 HydrophobicContact CB-CG2 4.01Å; L284-I296 HydrophobicContact CD1-CG2 4.47Å; L288-I296 HydrophobicContact CD1-CD1 3.72Å; S292-I296 WeakPolarHBondContact O-CD1 3.25Å; S292-I296 VanDerWaalsContact O-CG1 3.26Å; S292-I296 WeakPolarHBondContact O-CG1 3.33Å; S292-I296 PolarHBondContact O-N 3.49Å; R293-I296 PolarHBondContact O-N 3.41Å; I296-S298 VanDerWaalsContact C-N 3.31Å; I296-S298 PolarHBondContact O-N 3.31Å; I296-Q299 PolarHBondContact O-N 3.28Å; I296-F300 WeakPolarHBondContact O-CB 3.3Å; I296-F300 PolarHBondContact O-N 2.91Å; I296-I308 HydrophobicContact CG2-CD1 4.14Å; I296-I308 HydrophobicContact CG2-CG1 4.5Å
297I81.6Confident78.9Confident1 Ų148.9 Ų48.91%0.00525%0.252CS..Hα-helixtrans-64.3-39.4178.5-60.1163.1000110.4L284 R293 C294 H295 F300 N301 V350 F352L284-I297 HydrophobicContact CD1-CG1 4.48Å; L284-I297 HydrophobicContact CD2-CD1 4.33Å; L284-I297 HydrophobicContact CD2-CG1 4.25Å; R293-I297 VanDerWaalsContact O-CG1 3.3Å; R293-I297 WeakPolarHBondContact O-CG1 3.44Å; R293-I297 PolarHBondContact O-N 2.99Å; R293-I297 VanDerWaalsContact O-N 3.08Å; C294-I297 PolarHBondContact O-N 2.96Å; H295-I297 PolarHBondContact O-N 2.81Å; I297-F300 PolarHBondContact O-N 3.06Å; I297-N301 WeakPolarHBondContact O-CB 3.37Å; I297-N301 VanDerWaalsContact O-CG 3.24Å; I297-N301 PolarHBondContact O-N 3.13Å; I297-V350 HydrophobicContact CB-CB 4.12Å; I297-V350 HydrophobicContact CB-CG1 3.71Å; I297-V350 HydrophobicContact CD1-CB 3.94Å; I297-V350 HydrophobicContact CD1-CG1 4.49Å; I297-V350 HydrophobicContact CG2-CB 3.92Å; I297-V350 HydrophobicContact CG2-CG1 3.37Å; I297-F352 HydrophobicContact CD1-CZ 4.49Å; I297-F352 HydrophobicContact CG1-CE1 3.93Å; I297-F352 HydrophobicContact CG1-CZ 4.3Å; I297-F352 HydrophobicContact CG2-CD1 4.17Å; I297-F352 HydrophobicContact CG2-CE1 4.36Å
298S74.7Confident79.5Confident43 Ų4345.4 Ų45.430%0.30124%0.235SC..Hα-helixtrans-61.7-44.3174.5-167.60000112.1C294 H295 I296 F300 N301 Q302C294-S298 WeakPolarHBondContact O-CB 3.29Å; C294-S298 PolarHBondContact O-N 2.94Å; H295-S298 WeakPolarHBondContact O-CB 3.35Å; H295-S298 PolarHBondContact O-N 2.79Å; I296-S298 VanDerWaalsContact C-N 3.31Å; I296-S298 PolarHBondContact O-N 3.31Å; S298-F300 VanDerWaalsContact C-N 3.33Å; S298-F300 PolarHBondContact O-N 2.9Å; S298-N301 PolarHBondContact O-N 3.48Å; S298-Q302 WeakPolarHBondContact O-CB 3.44Å; S298-Q302 VanDerWaalsContact O-CG 3.27Å; S298-Q302 WeakPolarHBondContact O-CG 3.37Å; S298-Q302 PolarHBondContact O-N 3.35Å; S298-Q302 PolarHBondContact OG-NE2 2.76Å
299Q79.8Confident80.4Confident44 Ų4445.1 Ų45.121%0.20623%0.234CC..Hα-helixtrans-62.7-40.7177.7-75.9-178.6-29.700112.1H295 I296 Q302 G303 F304 Y305H295-Q299 PolarHBondContact NE2-NE2 2.86Å; H295-Q299 WeakPolarHBondContact O-CG 3.2Å; H295-Q299 PolarHBondContact O-N 2.9Å; I296-Q299 PolarHBondContact O-N 3.28Å; Q299-Q302 PolarHBondContact O-N 2.82Å; Q299-G303 PolarHBondContact O-N 3.41Å; Q299-G303 VanDerWaalsContact O-N 3.08Å; Q299-F304 HydrophobicContact CB-CB 4.21Å; Q299-F304 HydrophobicContact CB-CD2 4.08Å; Q299-F304 HydrophobicContact CG-CD2 4.16Å; Q299-F304 PolarHBondContact O-N 2.78Å; Q299-Y305 HydrophobicContact CB-CD2 4.16Å; Q299-Y305 HydrophobicContact CB-CE2 4.37Å
300F84.7Confident81.1Confident0 Ų042.8 Ų42.80%022%0.219CC..Hα-helixtrans-65.2-42.1173.9175-95000112.3K256 L258 I296 I297 S298 Q302 G303 Y305 I308 F352 V355K256-F300 HydrophobicContact CB-CE1 4.31Å; K256-F300 HydrophobicContact CB-CE2 4.04Å; K256-F300 HydrophobicContact CB-CZ 3.62Å; K256-F300 HydrophobicContact CD-CD1 4.43Å; K256-F300 HydrophobicContact CD-CE1 3.98Å; K256-F300 HydrophobicContact CD-CE2 4.45Å; K256-F300 HydrophobicContact CD-CZ 4.03Å; K256-F300 WeakPolarHBondContact CE-O 3.45Å; K256-F300 HydrophobicContact CG-CE2 4.45Å; K256-F300 HydrophobicContact CG-CZ 4.25Å; K256-F300 PolarHBondContact NZ-O 3.06Å; L258-F300 HydrophobicContact CD2-CZ 4.2Å; L258-F300 HydrophobicContact CG-CZ 4.48Å; I296-F300 WeakPolarHBondContact O-CB 3.3Å; I296-F300 PolarHBondContact O-N 2.91Å; I297-F300 PolarHBondContact O-N 3.06Å; S298-F300 VanDerWaalsContact C-N 3.33Å; S298-F300 PolarHBondContact O-N 2.9Å; F300-Q302 VanDerWaalsContact C-N 3.28Å; F300-Q302 PolarHBondContact O-N 2.76Å; F300-G303 PolarHBondContact O-N 2.9Å; F300-G303 VanDerWaalsContact O-N 3.11Å; F300-Y305 WeakPolarHBondContact CD2-O 3.33Å; F300-I308 HydrophobicContact CB-CD1 3.46Å; F300-I308 VanDerWaalsContact CB-CD1 3.46Å; F300-I308 HydrophobicContact CB-CG1 4.21Å; F300-I308 HydrophobicContact CD1-CD1 4.02Å; F300-I308 HydrophobicContact CD2-CB 4.48Å; F300-I308 HydrophobicContact CD2-CD1 3.53Å; F300-I308 HydrophobicContact CD2-CG1 3.58Å; F300-I308 HydrophobicContact CE2-CD1 4.16Å; F300-I308 HydrophobicContact CE2-CG1 4.08Å; F300-I308 HydrophobicContact CG-CD1 3.41Å; F300-I308 VanDerWaalsContact CG-CD1 3.41Å; F300-I308 HydrophobicContact CG-CG1 4.02Å; F300-F352 HydrophobicContact CD1-CD1 4Å; F300-F352 HydrophobicContact CE1-CB 4.23Å; F300-F352 AromaticContact CE1-CD1 3.94Å; F300-F352 HydrophobicContact CE1-CD1 3.94Å; F300-V355 HydrophobicContact CE1-CG2 4.07Å; F300-V355 HydrophobicContact CZ-CG2 4.28Å
301N80.5Confident82Confident28 Ų2843 Ų4315%0.1522%0.221CC..Hα-helixtrans-62.5-37.7175.3-72.5-12.6000111.4K256 I297 S298 G303 D351 Q353K256-N301 PolarHBondContact NZ-O 3.2Å; I297-N301 WeakPolarHBondContact O-CB 3.37Å; I297-N301 VanDerWaalsContact O-CG 3.24Å; I297-N301 PolarHBondContact O-N 3.13Å; S298-N301 PolarHBondContact O-N 3.48Å; N301-G303 VanDerWaalsContact C-N 3.29Å; N301-G303 PolarHBondContact O-N 3.4Å; N301-D351 PolarHBondContact ND2-O 3.12Å; N301-Q353 HydrophobicContact CB-CB 4.45Å; N301-Q353 PolarHBondContact OD1-N 3.29Å
302Q78.4Confident82.2Confident129 Ų12939.6 Ų39.660%0.60321%0.206SC*.Hα-helixtrans-75.3-9.9175.5-68.117544.900114.4S298 Q299 F300 F304S298-Q302 WeakPolarHBondContact O-CB 3.44Å; S298-Q302 VanDerWaalsContact O-CG 3.27Å; S298-Q302 WeakPolarHBondContact O-CG 3.37Å; S298-Q302 PolarHBondContact O-N 3.35Å; S298-Q302 PolarHBondContact OG-NE2 2.76Å; Q299-Q302 PolarHBondContact O-N 2.82Å; F300-Q302 VanDerWaalsContact C-N 3.28Å; F300-Q302 PolarHBondContact O-N 2.76Å; Q302-F304 HydrophobicContact CB-CD2 3.81Å; Q302-F304 HydrophobicContact CB-CE2 3.83Å; Q302-F304 VanDerWaalsContact OE1-CE2 3.31Å
303G80.5Confident81.5Confident38 Ų3841.8 Ų41.839%0.39222%0.215SC..THydrogen-bonded Turntrans84.318.5177.200000115Q299 F300 N301 Y305Q299-G303 PolarHBondContact O-N 3.41Å; Q299-G303 VanDerWaalsContact O-N 3.08Å; F300-G303 PolarHBondContact O-N 2.9Å; F300-G303 VanDerWaalsContact O-N 3.11Å; N301-G303 VanDerWaalsContact C-N 3.29Å; N301-G303 PolarHBondContact O-N 3.4Å; G303-Y305 VanDerWaalsContact C-N 3.26Å
304F81.6Confident79.9Confident137 Ų13747.8 Ų47.860%0.60124%0.243SC*.SBendtrans-69.1-29.7170.4-70.7-74.5000112.3Q299 Q302Q299-F304 HydrophobicContact CB-CB 4.21Å; Q299-F304 HydrophobicContact CB-CD2 4.08Å; Q299-F304 HydrophobicContact CG-CD2 4.16Å; Q299-F304 PolarHBondContact O-N 2.78Å; Q302-F304 HydrophobicContact CB-CD2 3.81Å; Q302-F304 HydrophobicContact CB-CE2 3.83Å; Q302-F304 VanDerWaalsContact OE1-CE2 3.31Å
305Y83.4Confident78Confident77 Ų7751.6 Ų51.630%0.30227%0.27SS..  trans-133.5133.7175.5-59.7-81.3000109.2P280 C282 Q299 F300 G303P280-Y305 HydrophobicContact CB-CD1 4.43Å; C282-Y305 WeakPolarHBondContact SG-CD1 3.36Å; C282-Y305 WeakPolarHBondContact SG-CD2 3.28Å; C282-Y305 WeakPolarHBondContact SG-CE1 3.38Å; C282-Y305 WeakPolarHBondContact SG-CE2 3.47Å; Q299-Y305 HydrophobicContact CB-CD2 4.16Å; Q299-Y305 HydrophobicContact CB-CE2 4.37Å; F300-Y305 WeakPolarHBondContact CD2-O 3.33Å; G303-Y305 VanDerWaalsContact C-N 3.26Å
306D89.1Confident75.7Confident89 Ų8953.7 Ų53.748%0.47628%0.284SS..SBendtrans-91.1-13.7173.9-61.3-47.1000112K256 T257K256-D306 CarbonylContact C-O 3.4Å; K256-D306 WeakPolarHBondContact CA-O 3.35Å; T257-D306 PolarHBondContact N-O 3.1Å
307I92.1Very high73Confident16 Ų1658.6 Ų58.68%0.08232%0.315CS..EExtended strand (participates in β ladder)trans-129.5123.9-172.1-53.1175.4000110.5L248 T257 L259 I279 A281 C282L248-I307 HydrophobicContact CD1-CD1 3.95Å; L248-I307 HydrophobicContact CD2-CD1 3.86Å; L248-I307 HydrophobicContact CG-CD1 4.42Å; T257-I307 WeakPolarHBondContact O-CA 3.42Å; L259-I307 HydrophobicContact CD1-CG2 3.58Å; L259-I307 HydrophobicContact CG-CG2 4.49Å; I279-I307 HydrophobicContact CG2-CD1 3.65Å; A281-I307 WeakPolarHBondContact CA-O 3.36Å; A281-I307 HydrophobicContact CB-CB 4.24Å; A281-I307 HydrophobicContact CB-CG2 4.02Å; C282-I307 PolarHBondContact N-O 3.07Å
308I92.1Very high70.2Confident0 Ų066.9 Ų66.90%035%0.353CS..EExtended strand (participates in β ladder)trans-116.4134.3168.1-73.3176.6000109.1T257 L258 L259 C282 L284 I296 F300 A310 F352T257-I308 PolarHBondContact O-N 3.23Å; T257-I308 VanDerWaalsContact O-N 3.1Å; L258-I308 HydrophobicContact CD2-CB 3.67Å; L258-I308 HydrophobicContact CD2-CD1 4.38Å; L258-I308 HydrophobicContact CD2-CG2 3.92Å; L259-I308 PolarHBondContact N-O 3.31Å; C282-I308 HydrophobicContact CB-CG1 4.31Å; C282-I308 CarbonylContact O-C 3.47Å; C282-I308 WeakPolarHBondContact O-CA 3.3Å; L284-I308 HydrophobicContact CB-CG2 3.79Å; L284-I308 HydrophobicContact CD2-CG2 4.46Å; I296-I308 HydrophobicContact CG2-CD1 4.14Å; I296-I308 HydrophobicContact CG2-CG1 4.5Å; F300-I308 HydrophobicContact CB-CD1 3.46Å; F300-I308 VanDerWaalsContact CB-CD1 3.46Å; F300-I308 HydrophobicContact CB-CG1 4.21Å; F300-I308 HydrophobicContact CD1-CD1 4.02Å; F300-I308 HydrophobicContact CD2-CB 4.48Å; F300-I308 HydrophobicContact CD2-CD1 3.53Å; F300-I308 HydrophobicContact CD2-CG1 3.58Å; F300-I308 HydrophobicContact CE2-CD1 4.16Å; F300-I308 HydrophobicContact CE2-CG1 4.08Å; F300-I308 HydrophobicContact CG-CD1 3.41Å; F300-I308 VanDerWaalsContact CG-CD1 3.41Å; F300-I308 HydrophobicContact CG-CG1 4.02Å; I308-A310 HydrophobicContact CG2-CB 4.37Å; I308-F352 HydrophobicContact CD1-CD1 4.23Å; I308-F352 HydrophobicContact CD1-CE1 3.76Å
309I93.4Very high67.9Low0 Ų070.7 Ų70.70%038%0.377CS..EExtended strand (participates in β ladder)trans-101.1113.3168.9-55.6164.9000107.7L259 V261 L270 K271 L274 A281 C282 V283 L284L259-I309 HydrophobicContact CB-CB 4.47Å; L259-I309 HydrophobicContact CB-CG1 4.12Å; L259-I309 HydrophobicContact CD1-CG1 4.09Å; L259-I309 CarbonylContact O-C 3.54Å; L259-I309 VanDerWaalsContact O-CA 3.3Å; L259-I309 WeakPolarHBondContact O-CA 3.42Å; V261-I309 HydrophobicContact CG1-CG2 4.04Å; V261-I309 HydrophobicContact CG2-CG2 4.01Å; L270-I309 HydrophobicContact CB-CD1 4.15Å; L270-I309 HydrophobicContact CD2-CD1 4.14Å; L270-I309 HydrophobicContact CD2-CG1 4.29Å; L270-I309 HydrophobicContact CD2-CG2 4.17Å; L270-I309 HydrophobicContact CG-CD1 3.89Å; K271-I309 HydrophobicContact CB-CD1 3.97Å; L274-I309 HydrophobicContact CD1-CD1 4.22Å; A281-I309 HydrophobicContact CB-CD1 3.94Å; A281-I309 HydrophobicContact CB-CG1 4.3Å; C282-I309 PolarHBondContact O-N 2.99Å; V283-I309 CarbonylContact C-O 3.54Å; V283-I309 WeakPolarHBondContact CA-O 3.45Å; V283-I309 HydrophobicContact CG2-CB 4.33Å; L284-I309 PolarHBondContact N-O 3.47Å
310A90.5Very high65.4Low5 Ų573.5 Ų73.54%0.04141%0.408CS..EExtended strand (participates in β ladder)trans-112.5146.1-177.800000111.8L259 F260 V261 L284 I308L259-A310 PolarHBondContact O-N 3.15Å; F260-A310 WeakPolarHBondContact CA-O 3.36Å; F260-A310 HydrophobicContact CD1-CB 4.01Å; F260-A310 HydrophobicContact CE1-CB 3.88Å; V261-A310 WeakPolarHBondContact CG2-O 3.44Å; V261-A310 PolarHBondContact N-O 2.79Å; L284-A310 HydrophobicContact CB-CB 4.45Å; L284-A310 VanDerWaalsContact O-CA 3.3Å; L284-A310 WeakPolarHBondContact O-CA 3.16Å; I308-A310 HydrophobicContact CG2-CB 4.37Å
311T87.4Confident62.7Low16 Ų1679.3 Ų79.310%0.09845%0.448CS..EExtended strand (participates in β ladder)trans-98145.1164.452.40000110.2V261 A263 V264 L284V261-T311 HydrophobicContact CG2-CG2 3.79Å; V261-T311 WeakPolarHBondContact O-CA 3.08Å; A263-T311 VanDerWaalsContact C-CG2 3.44Å; A263-T311 WeakPolarHBondContact O-CG2 3.31Å; V264-T311 HydrophobicContact CG2-CG2 4.18Å; L284-T311 PolarHBondContact O-N 3.05Å
312D73.3Confident60Low41 Ų4183.1 Ų83.122%0.21948%0.478CS..  trans-60.8147.5167.8-79.3-12.6000111.4Q314 S369 R373D312-Q314 PolarHBondContact O-N 2.93Å; D312-S369 PolarHBondContact OD2-OG 3.29Å; D312-R373 VanDerWaalsContact CG-NH2 3.28Å; D312-R373 IonicContact OD1-CZ 2.73Å; D312-R373 IonicContact OD1-NE 2.86Å; D312-R373 PolarHBondContact OD1-NE 2.79Å; D312-R373 IonicContact OD1-NH2 3.04Å; D312-R373 IonicContact OD2-CZ 2.67Å; D312-R373 IonicContact OD2-NE 3.74Å; D312-R373 PolarHBondContact OD2-NE 3.13Å; D312-R373 IonicContact OD2-NH2 3.54Å; D312-R373 PolarHBondContact OD2-NH2 3.14Å
313E61.9Low57.5Low58 Ų5882 Ų8227%0.27148%0.484SS..  trans-70.797.2170-57.7-166.4164.700108.6S315 Y344 S347 R348E313-S315 VanDerWaalsContact C-N 3.34Å; E313-S315 PolarHBondContact O-N 3.16Å; E313-Y344 WeakPolarHBondContact CA-OH 3.44Å; E313-Y344 HydrophobicContact CB-CE1 3.71Å; E313-Y344 VanDerWaalsContact CB-OH 3.25Å; E313-Y344 WeakPolarHBondContact CB-OH 3.25Å; E313-Y344 HydrophobicContact CG-CE1 3.61Å; E313-Y344 WeakPolarHBondContact CG-OH 3.4Å; E313-S347 PolarHBondContact OE1-OG 2.8Å; E313-R348 IonicContact OE1-NE 2.96Å; E313-R348 IonicContact OE2-CZ 2.87Å; E313-R348 IonicContact OE2-NE 3.91Å; E313-R348 PolarHBondContact OE2-NE 2.77Å; E313-R348 IonicContact OE2-NH2 2.84Å; E313-R348 PolarHBondContact OE2-NH2 2.86Å
314Q44.5Very low54.9Low133 Ų13386 Ų8662%0.62151%0.506SS*.  trans-64101.5166.6-72.8-177.51.300107.4D312 L316D312-Q314 PolarHBondContact O-N 2.93Å; Q314-L316 VanDerWaalsContact C-N 3.25Å; Q314-L316 PolarHBondContact O-N 3.01Å
315S31Very low52.2Low101 Ų10183.1 Ų83.171%0.70652%0.515SS*.  trans-50.1103.6148.5-62.70000105.2E313 V317E313-S315 VanDerWaalsContact C-N 3.34Å; E313-S315 PolarHBondContact O-N 3.16Å; S315-V317 PolarHBondContact O-N 2.95Å
316L27.3Very low49.3Very low154 Ų15489.5 Ų89.581%0.80654%0.544SS*.  trans-64.478.2174.5-71.2164.8000107.6Q314Q314-L316 VanDerWaalsContact C-N 3.25Å; Q314-L316 PolarHBondContact O-N 3.01Å
317V24.7Very low46.5Very low120 Ų12095 Ų9573%0.72756%0.564SS**  trans-81.9110.3163.4-176.50000104S315S315-V317 PolarHBondContact O-N 2.95Å
318E23.5Very low43.4Very low175 Ų175101.1 Ų101.182%0.81860%0.602SS**  trans-56.5133.3172.3-66.3-164158.800109A320E318-A320 PolarHBondContact O-N 3.14Å
319P26.6Very low40.3Very low124 Ų124111 Ų11181%0.80565%0.645SS**  trans-65.9121.1176.824.7-30.4000109.3S321P319-S321 PolarHBondContact O-N 3.36Å
320A27.8Very low37.1Very low103 Ų103120.2 Ų120.285%0.85169%0.685SS**  trans-60.1106.3172.300000109.7E318 S322E318-A320 PolarHBondContact O-N 3.14Å; A320-S322 PolarHBondContact O-N 2.99Å
321S27.5Very low34Very low121 Ų121127.2 Ų127.285%0.84672%0.722SS**  trans-78.7112171.861.20000110P319P319-S321 PolarHBondContact O-N 3.36Å
322S24.4Very low31.3Very low109 Ų109132.2 Ų132.276%0.76276%0.758SS**  trans-77.2127170.951.10000112.6A320A320-S322 PolarHBondContact O-N 2.99Å
323S25.6Very low29.1Very low106 Ų106141.6 Ų141.674%0.74179%0.79SS**  trans75.2124.7145710000122.8
324S24.7Very low27.4Very low122 Ų122143.8 Ų143.885%0.85382%0.818SS**  trans99.3116.7137.477.60000119.9
325G24.6Very low26.5Very low76 Ų76147.1 Ų147.178%0.78483%0.83SS**  trans111.8106.8137.700000119.5
326K24.4Very low26.3Very low210 Ų210148.9 Ų148.991%0.91384%0.837SS**  trans83.4116.3148.3-77.8175.5176.6171.40120.8
327K29.8Very low26.3Very low204 Ų204146.1 Ų146.189%0.88784%0.836SS**  trans-50.8134.1162.2-68.4173174.6173.70112.4
328T26.4Very low26.5Very low146 Ų146150.4 Ų150.490%0.89685%0.845SS**  trans-160.2131.9135.43.70000111.1
329K27.4Very low26.8Very low206 Ų206146.2 Ų146.290%0.89684%0.841SS**  trans-73.8131.1178.5-75.1173.3170.1175.50110.8
330K25.7Very low27.2Very low195 Ų195149.6 Ų149.685%0.84884%0.843SS**  165.2148.4119.3-98.1-178.4174.8178.10113.6
331N25.6Very low27.6Very low152 Ų152151.4 Ų151.481%0.81384%0.838SS**  trans90.598.4161.4-67.93.2000119R333N331-R333 PolarHBondContact O-N 3.24Å
332S29.5Very low28.2Very low121 Ų121153.7 Ų153.785%0.84683%0.832SS**  trans-56.6111.1162.347.30000112.6
333R27.6Very low28.9Very low238 Ų238152.8 Ų152.890%0.89882%0.816SS**  trans-126.5116145.8-93.8-179.2172.7168-2.4106.6N331 K335N331-R333 PolarHBondContact O-N 3.24Å; R333-K335 PolarHBondContact O-N 3.41Å
334A26.6Very low29.5Very low103 Ų103150.5 Ų150.585%0.85179%0.792SS**  trans-54.9110.2176.800000109.4T336A334-T336 PolarHBondContact O-N 3.33Å
335K25.8Very low30.1Very low203 Ų203144.8 Ų144.888%0.88375%0.752SS**  trans-78.6109.9163.6-83.6-177.2174.6179.70106.6R333 A337R333-K335 PolarHBondContact O-N 3.41Å; K335-A337 PolarHBondContact O-N 3.11Å; K335-A337 VanDerWaalsContact O-N 3.15Å
336T25.9Very low30.6Very low138 Ų138142.8 Ų142.885%0.84773%0.725SS**  trans-54.3112.5165.515.10000108.7A334 K338A334-T336 PolarHBondContact O-N 3.33Å; T336-K338 PolarHBondContact O-N 3.47Å
337A27.7Very low30.9Very low96 Ų96133.5 Ų133.579%0.79369%0.686SS**  trans-59.9118.4166.600000107.6K335 A339K335-A337 PolarHBondContact O-N 3.11Å; K335-A337 VanDerWaalsContact O-N 3.15Å; A337-A339 PolarHBondContact O-N 2.93Å; A337-A339 VanDerWaalsContact O-N 3.07Å
338K28.8Very low31.5Very low210 Ų210128 Ų12891%0.91366%0.66SS**  trans-61.8111.9174.7-109.7-179.6172.6-175.40107.6T336 K340T336-K338 PolarHBondContact O-N 3.47Å; K338-K340 PolarHBondContact O-N 2.75Å
339A30.3Very low32.1Very low88 Ų88121.4 Ų121.473%0.72762%0.62SS**  trans-57.7134.2173.700000109.6A337 D341A337-A339 PolarHBondContact O-N 2.93Å; A337-A339 VanDerWaalsContact O-N 3.07Å; A339-D341 PolarHBondContact O-N 2.77Å
340K34.9Very low33.2Very low195 Ų195112.3 Ų112.385%0.84858%0.582SS**  trans-50123.5163.8-91.2178.2170.5178.60108K338 K342K338-K340 PolarHBondContact O-N 2.75Å; K340-K342 PolarHBondContact O-N 3.18Å
341D36.1Very low35Very low140 Ų140104.6 Ų104.675%0.74955%0.55SS*.  trans-64.6104.7176.4-95.6-35.9000109.7A339 E343 Y344A339-D341 PolarHBondContact O-N 2.77Å; D341-E343 PolarHBondContact O-N 3.24Å; D341-E343 VanDerWaalsContact O-N 3.1Å; D341-Y344 WeakPolarHBondContact O-CB 3.37Å; D341-Y344 PolarHBondContact O-N 2.95Å
342K39.5Very low37.2Very low169 Ų16998.2 Ų98.274%0.73552%0.515SS*.THydrogen-bonded Turntrans-60.6-16-179-66.9179.6177.2-176.80113.8K340 Y344K340-K342 PolarHBondContact O-N 3.18Å; K342-Y344 PolarHBondContact O-N 3.36Å
343E40.8Very low39.2Very low90 Ų9097 Ų9742%0.42150%0.496SS..THydrogen-bonded Turntrans-76.9-6.7178.2-111.7179.7109.200113V290 R293 D341 G345 K460V290-E343 HydrophobicContact CG2-CB 3.83Å; V290-E343 HydrophobicContact CG2-CG 3.75Å; V290-E343 WeakPolarHBondContact CG2-O 3.29Å; R293-E343 PolarHBondContact NH2-O 3.18Å; R293-E343 VanDerWaalsContact NH2-O 3.12Å; D341-E343 PolarHBondContact O-N 3.24Å; D341-E343 VanDerWaalsContact O-N 3.1Å; E343-G345 PolarHBondContact O-N 3.03Å; E343-K460 IonicContact OE2-NZ 2.66Å; E343-K460 PolarHBondContact OE2-NZ 3.25Å; E343-K460 VanDerWaalsContact OE2-NZ 3.1Å
344Y38.4Very low41.4Very low59 Ų5991 Ų9123%0.23148%0.482CS..G310 helixtrans-70.3-38.4-165.7-166-103.9000115.8R293 E313 D341 K342 V346 S347R293-Y344 PolarHBondContact NH1-O 3.25Å; R293-Y344 VanDerWaalsContact NH1-O 3.09Å; R293-Y344 PolarHBondContact NH2-O 3.17Å; E313-Y344 WeakPolarHBondContact CA-OH 3.44Å; E313-Y344 HydrophobicContact CB-CE1 3.71Å; E313-Y344 VanDerWaalsContact CB-OH 3.25Å; E313-Y344 WeakPolarHBondContact CB-OH 3.25Å; E313-Y344 HydrophobicContact CG-CE1 3.61Å; E313-Y344 WeakPolarHBondContact CG-OH 3.4Å; D341-Y344 WeakPolarHBondContact O-CB 3.37Å; D341-Y344 PolarHBondContact O-N 2.95Å; K342-Y344 PolarHBondContact O-N 3.36Å; Y344-V346 PolarHBondContact O-N 3.21Å; Y344-V346 VanDerWaalsContact O-N 3.11Å; Y344-S347 PolarHBondContact O-OG 3.27Å
345G36.5Very low44.2Very low1 Ų186.6 Ų86.61%0.0144%0.444CS..G310 helixtrans-62.3-22.7-174.400000115F171 E343 S347 R348F171-G345 WeakPolarHBondContact CE2-O 3.36Å; F171-G345 WeakPolarHBondContact CZ-O 3.33Å; E343-G345 PolarHBondContact O-N 3.03Å; G345-S347 VanDerWaalsContact C-N 3.28Å; G345-S347 PolarHBondContact O-N 3.26Å; G345-S347 VanDerWaalsContact O-N 3.13Å; G345-R348 WeakPolarHBondContact O-CB 3.37Å; G345-R348 PolarHBondContact O-N 2.78Å
346V34.1Very low47.2Very low35 Ų3579 Ų7921%0.21242%0.416CS..G310 helixtrans-65.3-20.2-166.5-164.60000116.2F171 V290 Y344 R348F171-V346 HydrophobicContact CD1-CB 4.22Å; F171-V346 HydrophobicContact CD1-CG2 3.59Å; F171-V346 HydrophobicContact CE1-CB 3.67Å; F171-V346 HydrophobicContact CE1-CG1 3.87Å; F171-V346 HydrophobicContact CE1-CG2 3.57Å; F171-V346 HydrophobicContact CZ-CB 4.29Å; V290-V346 HydrophobicContact CB-CB 4.1Å; V290-V346 HydrophobicContact CB-CG1 4.45Å; V290-V346 HydrophobicContact CG1-CB 3.29Å; V290-V346 HydrophobicContact CG1-CG1 3.19Å; V290-V346 HydrophobicContact CG1-CG2 3.95Å; V290-V346 HydrophobicContact CG2-CB 3.66Å; V290-V346 HydrophobicContact CG2-CG1 4.49Å; V290-V346 HydrophobicContact CG2-CG2 3.8Å; Y344-V346 PolarHBondContact O-N 3.21Å; Y344-V346 VanDerWaalsContact O-N 3.11Å; V346-R348 PolarHBondContact O-N 3.17Å
347S30.5Very low50.4Low14 Ų1473.3 Ų73.310%0.09838%0.381CS..G310 helixtrans-64.5-23.4171.546.50000114R293 E313 Y344 G345 G349R293-S347 PolarHBondContact NH1-OG 3.21Å; E313-S347 PolarHBondContact OE1-OG 2.8Å; Y344-S347 PolarHBondContact O-OG 3.27Å; G345-S347 VanDerWaalsContact C-N 3.28Å; G345-S347 PolarHBondContact O-N 3.26Å; G345-S347 VanDerWaalsContact O-N 3.13Å; S347-G349 PolarHBondContact O-N 3.4Å
348R42.6Very low53.5Low90 Ų9068.7 Ų68.734%0.3434%0.343SS..G310 helixtrans-79.1-14.5-171.8-68.3-175.5173.4-160.94.1114.6L167 E313 G345 V346L167-R348 HydrophobicContact CD1-CB 3.66Å; L167-R348 HydrophobicContact CD2-CB 4.16Å; L167-R348 HydrophobicContact CD2-CG 4.39Å; L167-R348 VanDerWaalsContact CD2-NH1 3.34Å; E313-R348 IonicContact OE1-NE 2.96Å; E313-R348 IonicContact OE2-CZ 2.87Å; E313-R348 IonicContact OE2-NE 3.91Å; E313-R348 PolarHBondContact OE2-NE 2.77Å; E313-R348 IonicContact OE2-NH2 2.84Å; E313-R348 PolarHBondContact OE2-NH2 2.86Å; G345-R348 WeakPolarHBondContact O-CB 3.37Å; G345-R348 PolarHBondContact O-N 2.78Å; V346-R348 PolarHBondContact O-N 3.17Å
349G39.5Very low56.7Low7 Ų758.8 Ų58.87%0.07230%0.3CS..G310 helixtrans-95.1-7.8178.300000115.8T88 E90 S347T88-G349 VanDerWaalsContact CG2-CA 3.47Å; T88-G349 VanDerWaalsContact OG1-CA 3.28Å; T88-G349 WeakPolarHBondContact OG1-CA 3.27Å; E90-G349 WeakPolarHBondContact CB-O 3.25Å; S347-G349 PolarHBondContact O-N 3.4Å
350V50Low59.8Low14 Ų1454.6 Ų54.69%0.08527%0.265CS..SBendtrans-92.8101.5163.9-162.40000107E90 C294 I297E90-V350 HydrophobicContact CG-CG2 3.93Å; C294-V350 HydrophobicContact CB-CG2 3.81Å; C294-V350 VanDerWaalsContact SG-CG2 3.54Å; I297-V350 HydrophobicContact CB-CB 4.12Å; I297-V350 HydrophobicContact CB-CG1 3.71Å; I297-V350 HydrophobicContact CD1-CB 3.94Å; I297-V350 HydrophobicContact CD1-CG1 4.49Å; I297-V350 HydrophobicContact CG2-CB 3.92Å; I297-V350 HydrophobicContact CG2-CG1 3.37Å
351D64Low62.7Low33 Ų3345.3 Ų45.318%0.17623%0.225CC..PPolyproline II helixtrans-78.7147-177.3-164.631.9000111.8N301 Q353 R376 R379N301-D351 PolarHBondContact ND2-O 3.12Å; D351-Q353 PolarHBondContact O-N 3.29Å; D351-R376 IonicContact OD1-NH1 3.92Å; D351-R379 IonicContact OD1-CZ 2.72Å; D351-R379 VanDerWaalsContact OD1-CZ 3.31Å; D351-R379 IonicContact OD1-NH1 3.31Å; D351-R379 PolarHBondContact OD1-NH1 3Å; D351-R379 IonicContact OD1-NH2 2.73Å; D351-R379 IonicContact OD2-CZ 3.78Å; D351-R379 IonicContact OD2-NH1 3.66Å; D351-R379 PolarHBondContact OD2-NH1 3.46Å
352F72.6Confident65.4Low18 Ų1839 Ų398%0.07919%0.191CC..PPolyproline II helixtrans-77118.2173.6-58.8-83.4000109.1L258 L284 I297 F300 I308 V355L258-F352 HydrophobicContact CD1-CB 4.29Å; L258-F352 HydrophobicContact CD1-CD1 4.19Å; L258-F352 HydrophobicContact CD1-CD2 3.91Å; L258-F352 HydrophobicContact CD1-CE1 4.5Å; L258-F352 HydrophobicContact CD1-CE2 4.23Å; L258-F352 HydrophobicContact CD1-CG 3.88Å; L258-F352 HydrophobicContact CD2-CD1 3.77Å; L258-F352 HydrophobicContact CD2-CE1 3.67Å; L258-F352 HydrophobicContact CD2-CG 4.32Å; L258-F352 HydrophobicContact CD2-CZ 4.13Å; L284-F352 HydrophobicContact CD2-CE1 4.1Å; L284-F352 HydrophobicContact CD2-CZ 3.59Å; I297-F352 HydrophobicContact CD1-CZ 4.49Å; I297-F352 HydrophobicContact CG1-CE1 3.93Å; I297-F352 HydrophobicContact CG1-CZ 4.3Å; I297-F352 HydrophobicContact CG2-CD1 4.17Å; I297-F352 HydrophobicContact CG2-CE1 4.36Å; F300-F352 HydrophobicContact CD1-CD1 4Å; F300-F352 HydrophobicContact CE1-CB 4.23Å; F300-F352 AromaticContact CE1-CD1 3.94Å; F300-F352 HydrophobicContact CE1-CD1 3.94Å; I308-F352 HydrophobicContact CD1-CD1 4.23Å; I308-F352 HydrophobicContact CD1-CE1 3.76Å; F352-V355 HydrophobicContact CB-CG2 3.38Å; F352-V355 HydrophobicContact CG-CG2 4.31Å
353Q70.2Confident67.9Low96 Ų9631.3 Ų31.345%0.44916%0.158SC..PPolyproline II helixtrans-93.3131.5-178.4-65.2179.5-5.100110.8N301 D351 V355N301-Q353 HydrophobicContact CB-CB 4.45Å; N301-Q353 PolarHBondContact OD1-N 3.29Å; D351-Q353 PolarHBondContact O-N 3.29Å; Q353-V355 VanDerWaalsContact C-N 3.34Å; Q353-V355 PolarHBondContact O-N 2.94Å
354N74.4Confident70.2Confident112 Ų11227 Ų2760%0.59914%0.138SC*.SBendtrans56.742.8174.2-57.5-22.9000113.6S356N354-S356 PolarHBondContact O-N 3.09Å
355V85.9Confident72.5Confident10 Ų1030.2 Ų30.26%0.06116%0.164CC..EExtended strand (participates in β ladder)trans-67.2119.2169.2-176.70000108L258 F300 F352 Q353 N357 V358 R376 T377L258-V355 HydrophobicContact CB-CG1 4.35Å; L258-V355 HydrophobicContact CD1-CB 4.44Å; L258-V355 HydrophobicContact CD1-CG1 3.91Å; L258-V355 HydrophobicContact CD1-CG2 3.73Å; L258-V355 HydrophobicContact CG-CG1 3.9Å; L258-V355 HydrophobicContact CG-CG2 4.11Å; F300-V355 HydrophobicContact CE1-CG2 4.07Å; F300-V355 HydrophobicContact CZ-CG2 4.28Å; F352-V355 HydrophobicContact CB-CG2 3.38Å; F352-V355 HydrophobicContact CG-CG2 4.31Å; Q353-V355 VanDerWaalsContact C-N 3.34Å; Q353-V355 PolarHBondContact O-N 2.94Å; V355-N357 VanDerWaalsContact CG1-O 3.3Å; V355-N357 WeakPolarHBondContact CG1-O 3.28Å; V355-V358 HydrophobicContact CG1-CG2 4.21Å; V355-R376 WeakPolarHBondContact CB-O 3.44Å; V355-T377 PolarHBondContact O-OG1 3.32Å
356S89.4Confident74.7Confident43 Ų4332.4 Ų32.430%0.30118%0.179SC..EExtended strand (participates in β ladder)trans-84.9-42.2176.8-51.90000110.3K256 N354 T377 G384 T385K256-S356 PolarHBondContact O-N 2.75Å; N354-S356 PolarHBondContact O-N 3.09Å; S356-T377 PolarHBondContact O-OG1 3.47Å; S356-G384 WeakPolarHBondContact O-CA 3.28Å; S356-T385 PolarHBondContact O-N 3.14Å
357N93.2Very high76.9Confident19 Ų1932.1 Ų32.110%0.10218%0.177CC..EExtended strand (participates in β ladder)trans-127.9137.1-171.5-45.1-69.9000112V253 Q254 K256 T257 L258 V355 T385V253-N357 HydrophobicContact CG1-CB 3.8Å; V253-N357 VanDerWaalsContact CG1-CG 3.46Å; V253-N357 WeakPolarHBondContact CG1-ND2 3.33Å; Q254-N357 PolarHBondContact O-ND2 3.49Å; K256-N357 PolarHBondContact O-N 3.25Å; T257-N357 CarbonylContact C-O 3.58Å; T257-N357 WeakPolarHBondContact CA-O 3.46Å; T257-N357 HydrophobicContact CG2-CB 4.1Å; T257-N357 PolarHBondContact OG1-ND2 2.8Å; L258-N357 PolarHBondContact N-O 3.41Å; V355-N357 VanDerWaalsContact CG1-O 3.3Å; V355-N357 WeakPolarHBondContact CG1-O 3.28Å; N357-T385 CarbonylContact C-O 3.59Å; N357-T385 VanDerWaalsContact CA-O 3.29Å; N357-T385 WeakPolarHBondContact CA-O 3.34Å
358V92.6Very high79Confident0 Ų035.9 Ų35.90%020%0.196CC..EExtended strand (participates in β ladder)trans-113.5128165.4171.40000107.7L258 F260 V355 V374 R376 T377 T385 A386 L387L258-V358 HydrophobicContact CB-CG2 4.45Å; L258-V358 CarbonylContact O-C 3.52Å; L258-V358 WeakPolarHBondContact O-CA 3.28Å; F260-V358 HydrophobicContact CD2-CG1 3.9Å; F260-V358 HydrophobicContact CE2-CG1 3.93Å; V355-V358 HydrophobicContact CG1-CG2 4.21Å; V358-V374 HydrophobicContact CG1-CG1 4.47Å; V358-R376 HydrophobicContact CG2-CB 4.13Å; V358-T377 HydrophobicContact CB-CG2 4.18Å; V358-T377 HydrophobicContact CG2-CG2 3.68Å; V358-T385 PolarHBondContact N-O 3.4Å; V358-A386 CarbonylContact O-C 3.56Å; V358-A386 VanDerWaalsContact O-CA 3.23Å; V358-A386 WeakPolarHBondContact O-CA 3.37Å; V358-L387 PolarHBondContact O-N 2.99Å
359I95.4Very high80.6Confident1 Ų132.4 Ų32.41%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-120.1113.8176.6-58.1178.1000108.3I244 V253 T257 L258 L259 F260 F361 L387 F389I244-I359 HydrophobicContact CD1-CD1 3.84Å; I244-I359 HydrophobicContact CD1-CG2 4.31Å; V253-I359 HydrophobicContact CG1-CD1 4.39Å; V253-I359 HydrophobicContact CG2-CD1 4.31Å; T257-I359 HydrophobicContact CG2-CD1 3.72Å; T257-I359 HydrophobicContact CG2-CG1 4.01Å; L258-I359 PolarHBondContact O-N 3.03Å; L259-I359 CarbonylContact C-O 3.54Å; L259-I359 WeakPolarHBondContact CA-O 3.5Å; L259-I359 HydrophobicContact CD2-CB 3.47Å; L259-I359 VanDerWaalsContact CD2-CB 3.47Å; L259-I359 HydrophobicContact CD2-CD1 4.12Å; L259-I359 HydrophobicContact CD2-CG1 4.33Å; L259-I359 HydrophobicContact CD2-CG2 3.52Å; L259-I359 HydrophobicContact CG-CB 4.33Å; F260-I359 PolarHBondContact N-O 3.13Å; I359-F361 PolarHBondContact O-N 3.05Å; I359-L387 CarbonylContact C-O 3.56Å; I359-L387 VanDerWaalsContact CA-O 3.23Å; I359-L387 WeakPolarHBondContact CA-O 3.3Å; I359-L387 HydrophobicContact CG1-CB 4.35Å; I359-F389 HydrophobicContact CG2-CZ 4.45Å
360N95.3Very high82.8Confident0 Ų032.1 Ų32.10%018%0.182CC..EExtended strand (participates in β ladder)trans-81.994.6169.6-63.7-47.9000108D362 R373 L387 S388 F389N360-D362 VanDerWaalsContact C-N 3.33Å; N360-R373 WeakPolarHBondContact OD1-CD 3.27Å; N360-R373 PolarHBondContact OD1-NH1 3.05Å; N360-R373 VanDerWaalsContact OD1-NH1 3.09Å; N360-L387 PolarHBondContact N-O 3.18Å; N360-S388 PolarHBondContact ND2-OG 3.32Å; N360-F389 PolarHBondContact O-N 3Å
361F95.3Very high84.2Confident0 Ų032 Ų320%018%0.182CC..SBendtrans-67.6-40.7175.3-172.8-101.2000110.5K240 F241 I244 F260 V261 L270 I359 F389K240-F361 HydrophobicContact CB-CD2 4.48Å; K240-F361 HydrophobicContact CB-CE2 3.8Å; K240-F361 HydrophobicContact CB-CZ 3.87Å; K240-F361 WeakPolarHBondContact CD-O 3.35Å; K240-F361 PolarHBondContact NZ-O 3.45Å; K240-F361 VanDerWaalsContact NZ-O 3.17Å; K240-F361 WeakPolarHBondContact O-CE2 3.48Å; F241-F361 HydrophobicContact CD1-CZ 4.06Å; F241-F361 AromaticContact CD2-CZ 3.97Å; F241-F361 HydrophobicContact CD2-CZ 3.97Å; F241-F361 HydrophobicContact CE1-CE1 4.48Å; F241-F361 AromaticContact CE1-CZ 3.98Å; F241-F361 HydrophobicContact CE1-CZ 3.98Å; F241-F361 HydrophobicContact CE2-CE1 4.2Å; F241-F361 AromaticContact CE2-CZ 3.86Å; F241-F361 HydrophobicContact CE2-CZ 3.86Å; F241-F361 HydrophobicContact CG-CZ 4.05Å; F241-F361 HydrophobicContact CZ-CE1 4.07Å; F241-F361 AromaticContact CZ-CZ 3.86Å; F241-F361 HydrophobicContact CZ-CZ 3.86Å; I244-F361 HydrophobicContact CB-CD2 4.32Å; I244-F361 HydrophobicContact CB-CE2 4.16Å; I244-F361 HydrophobicContact CG2-CD2 4.33Å; I244-F361 HydrophobicContact CG2-CE2 3.74Å; F260-F361 VanDerWaalsContact O-CB 3.31Å; F260-F361 WeakPolarHBondContact O-CB 3.48Å; F260-F361 PolarHBondContact O-N 3.22Å; V261-F361 HydrophobicContact CG1-CB 4Å; V261-F361 HydrophobicContact CG1-CD1 3.88Å; V261-F361 HydrophobicContact CG1-CG 4.27Å; L270-F361 HydrophobicContact CD1-CE2 4.2Å; L270-F361 HydrophobicContact CD1-CZ 4.2Å; L270-F361 HydrophobicContact CD2-CD1 4.32Å; L270-F361 HydrophobicContact CD2-CD2 4.27Å; L270-F361 HydrophobicContact CD2-CG 4.15Å; I359-F361 PolarHBondContact O-N 3.05Å; F361-F389 AromaticContact CD2-CD2 3.82Å; F361-F389 HydrophobicContact CD2-CD2 3.82Å; F361-F389 AromaticContact CD2-CE2 3.8Å; F361-F389 HydrophobicContact CD2-CE2 3.8Å; F361-F389 HydrophobicContact CE2-CD2 4.32Å; F361-F389 HydrophobicContact CE2-CE2 4.2Å; F361-F389 HydrophobicContact CG-CD2 4.49Å
362D93.4Very high84.8Confident8 Ų834.3 Ų34.34%0.04319%0.191CC..SBendtrans-110.1135.6164.4-56.4-44.6000109.2K240 F260 V261 A262 R266 N360 R373K240-D362 IonicContact NZ-OD1 3.98Å; F260-D362 PolarHBondContact O-N 3.27Å; V261-D362 VanDerWaalsContact CA-OD2 3.28Å; V261-D362 WeakPolarHBondContact CA-OD2 3.27Å; V261-D362 WeakPolarHBondContact CB-OD2 3.41Å; A262-D362 HydrophobicContact CB-CB 3.8Å; A262-D362 PolarHBondContact N-OD2 3.04Å; R266-D362 WeakPolarHBondContact CD-OD2 3.36Å; R266-D362 IonicContact CZ-OD1 3.21Å; R266-D362 IonicContact CZ-OD2 3.14Å; R266-D362 IonicContact NE-OD1 2.8Å; R266-D362 PolarHBondContact NE-OD1 3.33Å; R266-D362 IonicContact NE-OD2 3.35Å; R266-D362 PolarHBondContact NE-OD2 3.46Å; R266-D362 IonicContact NH2-OD1 3.68Å; R266-D362 PolarHBondContact NH2-OD1 3.23Å; N360-D362 VanDerWaalsContact C-N 3.33Å; D362-R373 PolarHBondContact O-NH1 2.9Å
363F92.8Very high85.3Confident7 Ų733.7 Ų33.73%0.03119%0.188CC..  trans-69.9136.9-179.8-159-100.7000109.5Y370 I390 E394 A397 L398 V401F363-Y370 HydrophobicContact CE2-CD2 4.06Å; F363-Y370 AromaticContact CE2-CE2 3.98Å; F363-Y370 HydrophobicContact CE2-CE2 3.98Å; F363-Y370 AromaticContact CZ-CD2 3.94Å; F363-Y370 HydrophobicContact CZ-CD2 3.94Å; F363-Y370 HydrophobicContact CZ-CE2 4.16Å; F363-I390 HydrophobicContact CD2-CD1 4.28Å; F363-I390 HydrophobicContact CD2-CG1 4.01Å; F363-I390 HydrophobicContact CE2-CD1 4.19Å; F363-I390 HydrophobicContact CE2-CG1 4.41Å; F363-E394 HydrophobicContact CB-CB 3.87Å; F363-E394 VanDerWaalsContact CB-CD 3.49Å; F363-E394 HydrophobicContact CB-CG 3.92Å; F363-E394 PolarHBondContact N-OE1 2.97Å; F363-A397 HydrophobicContact CD1-CB 3.97Å; F363-A397 HydrophobicContact CE1-CB 4.18Å; F363-L398 HydrophobicContact CE1-CB 4.24Å; F363-L398 HydrophobicContact CE2-CD1 4.24Å; F363-L398 HydrophobicContact CZ-CB 4.31Å; F363-L398 HydrophobicContact CZ-CD1 3.9Å; F363-V401 HydrophobicContact CE1-CB 4.48Å; F363-V401 HydrophobicContact CE1-CG2 3.95Å; F363-V401 HydrophobicContact CZ-CB 4.26Å; F363-V401 HydrophobicContact CZ-CG1 4.48Å; F363-V401 HydrophobicContact CZ-CG2 4.09Å
364P88.6Confident85.9Confident1 Ų129.1 Ų29.11%0.00617%0.167CC..  trans-64.6148.2177.826.4-33.7000111.4S366 Y370P364-S366 VanDerWaalsContact C-N 3.31Å; P364-Y370 HydrophobicContact CG-CD2 3.64Å; P364-Y370 HydrophobicContact CG-CG 4.07Å
365T85.4Confident86Confident125 Ų12524.9 Ų24.977%0.76715%0.15SC*.SBendtrans-85-3.6-17958.70000113.7
366S82.8Confident85.6Confident47 Ų4727.3 Ų27.333%0.32916%0.158SC..SBendtrans-145.2152.1179.270.40000111.5P364 D368 S369 Y370P364-S366 VanDerWaalsContact C-N 3.31Å; S366-D368 VanDerWaalsContact C-N 3.35Å; S366-D368 PolarHBondContact O-N 3.47Å; S366-S369 PolarHBondContact O-N 3.28Å; S366-S369 WeakPolarHBondContact OG-CB 3.39Å; S366-S369 PolarHBondContact OG-N 3.33Å; S366-Y370 PolarHBondContact O-N 3.16Å
367V82Confident85.3Confident30 Ų3025.3 Ų25.318%0.18214%0.144CC..Hα-helixtrans-58.9-45176.9-178.60000111.8S369 Y370 I371 E400 V401 A404V367-S369 VanDerWaalsContact C-N 3.31Å; V367-S369 PolarHBondContact O-N 3.39Å; V367-Y370 WeakPolarHBondContact O-CB 3.37Å; V367-Y370 PolarHBondContact O-N 3.11Å; V367-I371 HydrophobicContact CG1-CD1 3.72Å; V367-I371 HydrophobicContact CG1-CG1 4.4Å; V367-I371 WeakPolarHBondContact O-CG1 3.45Å; V367-I371 PolarHBondContact O-N 3.47Å; V367-E400 HydrophobicContact CG2-CB 4.24Å; V367-V401 HydrophobicContact CG2-CG2 4.12Å; V367-A404 HydrophobicContact CB-CB 4.35Å; V367-A404 HydrophobicContact CG1-CB 3.46Å; V367-A404 VanDerWaalsContact CG1-CB 3.46Å; V367-A404 HydrophobicContact CG2-CB 3.98Å
368D73.2Confident84.5Confident92 Ų9224.7 Ų24.749%0.49214%0.142SC..Hα-helixtrans-61.2-40.6178.9-70.7-30.7000111.7S366 I371 H372S366-D368 VanDerWaalsContact C-N 3.35Å; S366-D368 PolarHBondContact O-N 3.47Å; D368-I371 PolarHBondContact O-N 2.84Å; D368-H372 WeakPolarHBondContact O-CB 3.32Å; D368-H372 PolarHBondContact O-N 3.4Å; D368-H372 PolarHBondContact O-ND1 3.19Å
369S77.1Confident83.4Confident18 Ų1826.9 Ų26.913%0.12615%0.15CC..Hα-helixtrans-63.5-46.5175.3177.90000110.8D312 S366 V367 I371 H372 R373D312-S369 PolarHBondContact OD2-OG 3.29Å; S366-S369 PolarHBondContact O-N 3.28Å; S366-S369 WeakPolarHBondContact OG-CB 3.39Å; S366-S369 PolarHBondContact OG-N 3.33Å; V367-S369 VanDerWaalsContact C-N 3.31Å; V367-S369 PolarHBondContact O-N 3.39Å; S369-I371 VanDerWaalsContact C-N 3.32Å; S369-I371 PolarHBondContact O-N 3.12Å; S369-H372 PolarHBondContact O-N 3.46Å; S369-R373 VanDerWaalsContact O-CG 3.3Å; S369-R373 WeakPolarHBondContact O-CG 3.22Å; S369-R373 PolarHBondContact O-N 3.1Å
370Y84.7Confident82.1Confident0 Ų029.9 Ų29.90%018%0.175CC..Hα-helixtrans-52.9-51.2176.4-177.5-91.1000112L222 Q230 F363 P364 S366 V367 H372 R373 V374 V401 L405 L414L222-Y370 HydrophobicContact CD1-CE1 4.18Å; Q230-Y370 VanDerWaalsContact OE1-CE1 3.29Å; Q230-Y370 PolarHBondContact OE1-OH 3.46Å; F363-Y370 HydrophobicContact CE2-CD2 4.06Å; F363-Y370 AromaticContact CE2-CE2 3.98Å; F363-Y370 HydrophobicContact CE2-CE2 3.98Å; F363-Y370 AromaticContact CZ-CD2 3.94Å; F363-Y370 HydrophobicContact CZ-CD2 3.94Å; F363-Y370 HydrophobicContact CZ-CE2 4.16Å; P364-Y370 HydrophobicContact CG-CD2 3.64Å; P364-Y370 HydrophobicContact CG-CG 4.07Å; S366-Y370 PolarHBondContact O-N 3.16Å; V367-Y370 WeakPolarHBondContact O-CB 3.37Å; V367-Y370 PolarHBondContact O-N 3.11Å; Y370-H372 VanDerWaalsContact C-N 3.35Å; Y370-H372 PolarHBondContact O-N 3.4Å; Y370-R373 PolarHBondContact O-N 3.48Å; Y370-V374 HydrophobicContact CD1-CG1 4.48Å; Y370-V374 HydrophobicContact CD1-CG2 4.32Å; Y370-V374 HydrophobicContact CE1-CG1 3.96Å; Y370-V374 HydrophobicContact CE1-CG2 3.98Å; Y370-V374 HydrophobicContact CE2-CG1 4.07Å; Y370-V374 WeakPolarHBondContact O-CG2 3.39Å; Y370-V374 PolarHBondContact O-N 2.99Å; Y370-V401 HydrophobicContact CD1-CG1 3.56Å; Y370-V401 HydrophobicContact CD2-CG1 4.1Å; Y370-V401 HydrophobicContact CE1-CG1 3.88Å; Y370-V401 HydrophobicContact CE2-CG1 4.38Å; Y370-V401 HydrophobicContact CG-CG1 3.7Å; Y370-V401 HydrophobicContact CG-CG2 4.18Å; Y370-L405 HydrophobicContact CD1-CD1 4.23Å; Y370-L405 HydrophobicContact CE1-CD1 3.74Å; Y370-L414 HydrophobicContact CE2-CD2 4.36Å; Y370-L414 VanDerWaalsContact OH-CD2 3.29Å; Y370-L414 WeakPolarHBondContact OH-CD2 3.5Å
371I79.2Confident80.7Confident13 Ų1337.3 Ų37.37%0.06721%0.214CC..Hα-helixtrans-62.9-42.2-178.4-68.3172.6000111.1Q221 L222 V367 D368 S369 R373 G375 L405Q221-I371 HydrophobicContact CB-CD1 3.98Å; Q221-I371 HydrophobicContact CB-CG2 3.75Å; Q221-I371 HydrophobicContact CG-CD1 4.34Å; L222-I371 HydrophobicContact CD2-CB 4.33Å; L222-I371 HydrophobicContact CD2-CG1 4.32Å; L222-I371 HydrophobicContact CD2-CG2 3.92Å; L222-I371 HydrophobicContact CG-CG1 4.44Å; V367-I371 HydrophobicContact CG1-CD1 3.72Å; V367-I371 HydrophobicContact CG1-CG1 4.4Å; V367-I371 WeakPolarHBondContact O-CG1 3.45Å; V367-I371 PolarHBondContact O-N 3.47Å; D368-I371 PolarHBondContact O-N 2.84Å; S369-I371 VanDerWaalsContact C-N 3.32Å; S369-I371 PolarHBondContact O-N 3.12Å; I371-R373 VanDerWaalsContact C-N 3.35Å; I371-R373 PolarHBondContact O-N 3.28Å; I371-G375 PolarHBondContact O-N 3.39Å; I371-L405 HydrophobicContact CD1-CD2 4.4Å; I371-L405 HydrophobicContact CG1-CD2 4.45Å
372H77Confident79.6Confident80 Ų8041.5 Ų41.537%0.3724%0.237SC..Hα-helixtrans-65.1-35.1176.8-70.5162.2000113.8D368 S369 Y370 R376D368-H372 WeakPolarHBondContact O-CB 3.32Å; D368-H372 PolarHBondContact O-N 3.4Å; D368-H372 PolarHBondContact O-ND1 3.19Å; S369-H372 PolarHBondContact O-N 3.46Å; Y370-H372 VanDerWaalsContact C-N 3.35Å; Y370-H372 PolarHBondContact O-N 3.4Å; H372-R376 PolarHBondContact O-NE 2.89Å
373R82.8Confident79.2Confident5 Ų545.7 Ų45.72%0.01927%0.265CS..Hα-helixtrans-69.9-54.9177.1-71-176.7-176.2-172.25.8111.1F260 D312 N360 D362 S369 Y370 I371 G375 R376F260-R373 HydrophobicContact CB-CG 4.48Å; F260-R373 HydrophobicContact CD1-CG 3.83Å; F260-R373 HydrophobicContact CD2-CB 3.88Å; F260-R373 HydrophobicContact CD2-CG 3.82Å; F260-R373 HydrophobicContact CE1-CG 3.92Å; F260-R373 HydrophobicContact CE2-CB 3.77Å; F260-R373 HydrophobicContact CE2-CG 3.91Å; F260-R373 HydrophobicContact CG-CB 4.35Å; F260-R373 HydrophobicContact CG-CG 3.78Å; F260-R373 HydrophobicContact CZ-CB 4.18Å; F260-R373 HydrophobicContact CZ-CG 3.97Å; D312-R373 VanDerWaalsContact CG-NH2 3.28Å; D312-R373 IonicContact OD1-CZ 2.73Å; D312-R373 IonicContact OD1-NE 2.86Å; D312-R373 PolarHBondContact OD1-NE 2.79Å; D312-R373 IonicContact OD1-NH2 3.04Å; D312-R373 IonicContact OD2-CZ 2.67Å; D312-R373 IonicContact OD2-NE 3.74Å; D312-R373 PolarHBondContact OD2-NE 3.13Å; D312-R373 IonicContact OD2-NH2 3.54Å; D312-R373 PolarHBondContact OD2-NH2 3.14Å; N360-R373 WeakPolarHBondContact OD1-CD 3.27Å; N360-R373 PolarHBondContact OD1-NH1 3.05Å; N360-R373 VanDerWaalsContact OD1-NH1 3.09Å; D362-R373 PolarHBondContact O-NH1 2.9Å; S369-R373 VanDerWaalsContact O-CG 3.3Å; S369-R373 WeakPolarHBondContact O-CG 3.22Å; S369-R373 PolarHBondContact O-N 3.1Å; Y370-R373 PolarHBondContact O-N 3.48Å; I371-R373 VanDerWaalsContact C-N 3.35Å; I371-R373 PolarHBondContact O-N 3.28Å; R373-G375 VanDerWaalsContact C-N 3.26Å; R373-G375 PolarHBondContact O-N 2.88Å; R373-R376 VanDerWaalsContact O-CB 3.28Å; R373-R376 WeakPolarHBondContact O-CB 3.35Å; R373-R376 VanDerWaalsContact O-CG 3.24Å; R373-R376 WeakPolarHBondContact O-CG 2.97Å; R373-R376 PolarHBondContact O-N 3.37Å
374V83.5Confident79Confident0 Ų045.5 Ų45.50%027%0.265CS..Hα-helixtrans-70.3-25.7-177.5-540000112L222 L228 V358 Y370 R376 T377 A386L222-V374 HydrophobicContact CD1-CG2 3.89Å; L222-V374 HydrophobicContact CD2-CG2 3.29Å; L222-V374 HydrophobicContact CG-CG2 4.25Å; L228-V374 HydrophobicContact CD2-CB 4.23Å; L228-V374 HydrophobicContact CD2-CG2 4.04Å; V358-V374 HydrophobicContact CG1-CG1 4.47Å; Y370-V374 HydrophobicContact CD1-CG1 4.48Å; Y370-V374 HydrophobicContact CD1-CG2 4.32Å; Y370-V374 HydrophobicContact CE1-CG1 3.96Å; Y370-V374 HydrophobicContact CE1-CG2 3.98Å; Y370-V374 HydrophobicContact CE2-CG1 4.07Å; Y370-V374 WeakPolarHBondContact O-CG2 3.39Å; Y370-V374 PolarHBondContact O-N 2.99Å; V374-R376 PolarHBondContact O-N 2.67Å; V374-T377 WeakPolarHBondContact O-CG2 3.19Å; V374-T377 PolarHBondContact O-N 3.15Å; V374-T377 VanDerWaalsContact O-N 3.13Å; V374-A386 HydrophobicContact CB-CB 4.01Å; V374-A386 HydrophobicContact CG1-CB 3.6Å
375G76Confident79.1Confident24 Ų2447.6 Ų47.625%0.24728%0.277CS..THydrogen-bonded Turntrans-67.11.8169.500000115I371 R373 R379I371-G375 PolarHBondContact O-N 3.39Å; R373-G375 VanDerWaalsContact C-N 3.26Å; R373-G375 PolarHBondContact O-N 2.88Å; G375-R379 PolarHBondContact O-NE 2.75Å; G375-R379 PolarHBondContact O-NH2 2.95Å
376R78.7Confident79.5Confident60 Ų6041.6 Ų41.623%0.22624%0.241CC..THydrogen-bonded Turntrans-80.8-21.7168.8-58.3-66.8146.1179.13.9112.8L258 F260 D351 V355 V358 H372 R373 V374L258-R376 HydrophobicContact CD1-CB 3.55Å; L258-R376 HydrophobicContact CD1-CG 4.07Å; F260-R376 HydrophobicContact CZ-CG 4.21Å; D351-R376 IonicContact OD1-NH1 3.92Å; V355-R376 WeakPolarHBondContact CB-O 3.44Å; V358-R376 HydrophobicContact CG2-CB 4.13Å; H372-R376 PolarHBondContact O-NE 2.89Å; R373-R376 VanDerWaalsContact O-CB 3.28Å; R373-R376 WeakPolarHBondContact O-CB 3.35Å; R373-R376 VanDerWaalsContact O-CG 3.24Å; R373-R376 WeakPolarHBondContact O-CG 2.97Å; R373-R376 PolarHBondContact O-N 3.37Å; V374-R376 PolarHBondContact O-N 2.67Å
377T81.5Confident80.1Confident2 Ų240.3 Ų40.31%0.01223%0.23CC..SBendtrans-103.8-180170.7-173.50000110.5L228 V355 S356 V358 V374 R379 G384L228-T377 HydrophobicContact CD1-CG2 3.6Å; V355-T377 PolarHBondContact O-OG1 3.32Å; S356-T377 PolarHBondContact O-OG1 3.47Å; V358-T377 HydrophobicContact CB-CG2 4.18Å; V358-T377 HydrophobicContact CG2-CG2 3.68Å; V374-T377 WeakPolarHBondContact O-CG2 3.19Å; V374-T377 PolarHBondContact O-N 3.15Å; V374-T377 VanDerWaalsContact O-N 3.13Å; T377-R379 PolarHBondContact O-N 3.4Å; T377-G384 WeakPolarHBondContact OG1-CA 3.22Å
378A77.1Confident80.7Confident6 Ų638.9 Ų38.95%0.0522%0.221CC..SBendtrans52.948.7176.200000113.3P223 Q227 L228 N382P223-A378 HydrophobicContact CB-CB 4.41Å; P223-A378 HydrophobicContact CG-CB 3.93Å; P223-A378 WeakPolarHBondContact CG-O 3.26Å; Q227-A378 HydrophobicContact CG-CB 4.12Å; Q227-A378 PolarHBondContact NE2-O 3.2Å; Q227-A378 VanDerWaalsContact NE2-O 3.12Å; L228-A378 HydrophobicContact CB-CB 3.82Å; L228-A378 HydrophobicContact CD1-CB 3.94Å; L228-A378 HydrophobicContact CG-CB 4.38Å; A378-N382 WeakPolarHBondContact CA-O 3.23Å
379R70.3Confident81.8Confident45 Ų4534.5 Ų34.517%0.1720%0.198CC..  trans-95.7147.3178.6-64.5-172.9173.5-145.30111.3D351 G375 T377 D381 N382D351-R379 IonicContact OD1-CZ 2.72Å; D351-R379 VanDerWaalsContact OD1-CZ 3.31Å; D351-R379 IonicContact OD1-NH1 3.31Å; D351-R379 PolarHBondContact OD1-NH1 3Å; D351-R379 IonicContact OD1-NH2 2.73Å; D351-R379 IonicContact OD2-CZ 3.78Å; D351-R379 IonicContact OD2-NH1 3.66Å; D351-R379 PolarHBondContact OD2-NH1 3.46Å; G375-R379 PolarHBondContact O-NE 2.75Å; G375-R379 PolarHBondContact O-NH2 2.95Å; T377-R379 PolarHBondContact O-N 3.4Å; R379-D381 PolarHBondContact O-N 3.04Å; R379-N382 PolarHBondContact O-N 3.41Å
380A67Low82.6Confident64 Ų6433.7 Ų33.753%0.52919%0.192SC..THydrogen-bonded Turntrans55.1-117.8-174.800000111.4Q227Q227-A380 PolarHBondContact NE2-O 3.26Å
381D65.6Low82.9Confident156 Ų15634.4 Ų34.483%0.83420%0.197SC*.THydrogen-bonded Turntrans-105.82.5179.3-60-40.7000113.5R379R379-D381 PolarHBondContact O-N 3.04Å
382N73.5Confident83.4Confident89 Ų8940.4 Ų40.448%0.47622%0.224SC..  trans-79.9136.5-179.2-71-44.4000110.8Q227 A378 R379Q227-N382 WeakPolarHBondContact CG-O 3.45Å; Q227-N382 PolarHBondContact NE2-O 2.77Å; Q227-N382 VanDerWaalsContact NE2-O 3.13Å; A378-N382 WeakPolarHBondContact CA-O 3.23Å; R379-N382 PolarHBondContact O-N 3.41Å
383P84.4Confident83.9Confident96 Ų9642.5 Ų42.562%0.62324%0.243SC*.  trans-72.3153.4171.131.2-34.2000110.7Q227Q227-P383 CarbonylContact O-C 3.48Å; Q227-P383 VanDerWaalsContact O-CA 3.26Å; Q227-P383 WeakPolarHBondContact O-CA 3.44Å
384G88.4Confident84.3Confident3 Ų343.6 Ų43.63%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-143.6154-179.600000112.3Q227 L228 Q229 S356 T377Q227-G384 PolarHBondContact O-N 2.72Å; L228-G384 WeakPolarHBondContact CA-O 3.45Å; Q229-G384 PolarHBondContact N-O 3.27Å; S356-G384 WeakPolarHBondContact O-CA 3.28Å; T377-G384 WeakPolarHBondContact OG1-CA 3.22Å
385T91.8Very high84.6Confident44 Ų4446.6 Ų46.627%0.2726%0.264SS..EExtended strand (participates in β ladder)trans-120.4134.3175.6-53.90000110.5Q229 Y231 S356 N357 V358Q229-T385 CarbonylContact O-C 3.3Å; Q229-T385 WeakPolarHBondContact O-CA 3.4Å; Y231-T385 HydrophobicContact CD2-CG2 3.71Å; Y231-T385 HydrophobicContact CE2-CG2 3.83Å; S356-T385 PolarHBondContact O-N 3.14Å; N357-T385 CarbonylContact C-O 3.59Å; N357-T385 VanDerWaalsContact CA-O 3.29Å; N357-T385 WeakPolarHBondContact CA-O 3.34Å; V358-T385 PolarHBondContact N-O 3.4Å
386A92.6Very high85.2Confident0 Ų051.5 Ų51.50%028%0.284CS..EExtended strand (participates in β ladder)trans-113.3128.3169.100000109.7L228 Q229 Q230 Y231 V358 V374L228-A386 HydrophobicContact CD1-CB 4.27Å; Q229-A386 PolarHBondContact O-N 3.2Å; Q230-A386 CarbonylContact C-O 3.47Å; Q230-A386 WeakPolarHBondContact CA-O 3.36Å; Q230-A386 HydrophobicContact CG-CB 4.25Å; Y231-A386 PolarHBondContact N-O 3.12Å; V358-A386 CarbonylContact O-C 3.56Å; V358-A386 VanDerWaalsContact O-CA 3.23Å; V358-A386 WeakPolarHBondContact O-CA 3.37Å; V374-A386 HydrophobicContact CB-CB 4.01Å; V374-A386 HydrophobicContact CG1-CB 3.6Å
387L95.1Very high85.7Confident19 Ų1949.6 Ų49.610%0.09928%0.282CS..EExtended strand (participates in β ladder)trans-121.2125.6176.2179.765.1000109.5Y231 I233 L247 V358 I359 N360 F389Y231-L387 CarbonylContact O-C 3.58Å; Y231-L387 WeakPolarHBondContact O-CA 3.24Å; I233-L387 HydrophobicContact CD1-CD1 3.78Å; I233-L387 HydrophobicContact CD1-CD2 4.34Å; I233-L387 HydrophobicContact CG1-CD1 3.92Å; L247-L387 HydrophobicContact CD1-CD2 3.61Å; V358-L387 PolarHBondContact O-N 2.99Å; I359-L387 CarbonylContact C-O 3.56Å; I359-L387 VanDerWaalsContact CA-O 3.23Å; I359-L387 WeakPolarHBondContact CA-O 3.3Å; I359-L387 HydrophobicContact CG1-CB 4.35Å; N360-L387 PolarHBondContact N-O 3.18Å; L387-F389 HydrophobicContact CD2-CE1 3.89Å; L387-F389 HydrophobicContact CD2-CZ 4.49Å; L387-F389 HydrophobicContact CG-CE1 4.15Å
388S95.3Very high86.1Confident0 Ų050 Ų500%028%0.283CS..EExtended strand (participates in β ladder)trans-118.8125.8-178.2-56.80000111.7Y231 T232 I233 N360Y231-S388 PolarHBondContact O-N 3.13Å; T232-S388 CarbonylContact C-O 3.59Å; T232-S388 WeakPolarHBondContact CA-O 3.47Å; I233-S388 PolarHBondContact N-O 2.82Å; N360-S388 PolarHBondContact ND2-OG 3.32Å
389F95.7Very high86.6Confident0 Ų052.1 Ų52.10%030%0.301CS..EExtended strand (participates in β ladder)trans-87.4133.9170.1-62.6-18.9000109.9I233 K240 L243 I244 L247 I359 N360 F361 L387I233-F389 HydrophobicContact CB-CD1 4.24Å; I233-F389 HydrophobicContact CD1-CE1 4.28Å; I233-F389 WeakPolarHBondContact O-CA 3.34Å; K240-F389 HydrophobicContact CB-CD2 3.95Å; K240-F389 HydrophobicContact CB-CE2 4.48Å; K240-F389 HydrophobicContact CD-CB 4.14Å; K240-F389 HydrophobicContact CG-CB 3.97Å; K240-F389 HydrophobicContact CG-CD2 3.92Å; K240-F389 HydrophobicContact CG-CG 4.26Å; L243-F389 HydrophobicContact CB-CE1 4.13Å; L243-F389 HydrophobicContact CB-CE2 4.18Å; L243-F389 HydrophobicContact CB-CZ 3.65Å; L243-F389 HydrophobicContact CD1-CD1 4.36Å; L243-F389 HydrophobicContact CD1-CE1 4.06Å; L243-F389 HydrophobicContact CD1-CZ 4.35Å; I244-F389 HydrophobicContact CB-CE2 4.2Å; L247-F389 HydrophobicContact CD1-CE1 4.27Å; L247-F389 HydrophobicContact CD1-CZ 3.98Å; I359-F389 HydrophobicContact CG2-CZ 4.45Å; N360-F389 PolarHBondContact O-N 3Å; F361-F389 AromaticContact CD2-CD2 3.82Å; F361-F389 HydrophobicContact CD2-CD2 3.82Å; F361-F389 AromaticContact CD2-CE2 3.8Å; F361-F389 HydrophobicContact CD2-CE2 3.8Å; F361-F389 HydrophobicContact CE2-CD2 4.32Å; F361-F389 HydrophobicContact CE2-CE2 4.2Å; F361-F389 HydrophobicContact CG-CD2 4.49Å; L387-F389 HydrophobicContact CD2-CE1 3.89Å; L387-F389 HydrophobicContact CD2-CZ 4.49Å; L387-F389 HydrophobicContact CG-CE1 4.15Å
390I93.8Very high87.4Confident2 Ų255 Ų551%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-128.1113.9-172.6-49.9-171.4000108.9T232 I233 K234 C235 F363 E394 L395 L398T232-I390 HydrophobicContact CG2-CD1 3.69Å; I233-I390 PolarHBondContact O-N 2.94Å; K234-I390 CarbonylContact C-O 3.57Å; K234-I390 WeakPolarHBondContact CA-O 3.17Å; C235-I390 PolarHBondContact N-O 2.85Å; F363-I390 HydrophobicContact CD2-CD1 4.28Å; F363-I390 HydrophobicContact CD2-CG1 4.01Å; F363-I390 HydrophobicContact CE2-CD1 4.19Å; F363-I390 HydrophobicContact CE2-CG1 4.41Å; I390-E394 HydrophobicContact CG2-CB 4.11Å; I390-L395 HydrophobicContact CG2-CD2 4.06Å; I390-L398 HydrophobicContact CD1-CB 4.24Å; I390-L398 HydrophobicContact CD1-CD1 3.56Å; I390-L398 HydrophobicContact CD1-CD2 3.53Å; I390-L398 HydrophobicContact CD1-CG 3.93Å; I390-L398 HydrophobicContact CG2-CD2 4.44Å
391S91.8Very high88.4Confident14 Ų1452 Ų5210%0.09829%0.292CS..  trans-82.8167.2169.969.90000111.2C235 T393 E394C235-S391 WeakPolarHBondContact O-CA 3.33Å; S391-T393 PolarHBondContact O-N 3.11Å; S391-T393 VanDerWaalsContact O-N 3.16Å; S391-T393 PolarHBondContact OG-OG1 2.83Å; S391-E394 PolarHBondContact N-OE2 3.15Å; S391-E394 PolarHBondContact O-N 2.87Å; S391-E394 WeakPolarHBondContact OG-CG 3.28Å; S391-E394 PolarHBondContact OG-OE2 3.23Å
392H89.3Confident89.3Confident139 Ų13948.7 Ų48.764%0.64427%0.271SS*.G310 helixtrans-57.4-28.9175.4-72.3-57.1000114.2E236 E394E236-H392 IonicContact OE1-CD2 3.54Å; E236-H392 PolarHBondContact OE1-CD2 3.42Å; E236-H392 IonicContact OE1-CG 3.64Å; E236-H392 PolarHBondContact OE1-N 2.97Å; E236-H392 IonicContact OE1-NE2 3.14Å; H392-E394 VanDerWaalsContact C-N 3.3Å
393T88.9Confident89.8Confident125 Ų12552.2 Ų52.277%0.76729%0.285SS*.G310 helixtrans-79.1-12.3178.557.90000113.7S391S391-T393 PolarHBondContact O-N 3.11Å; S391-T393 VanDerWaalsContact O-N 3.16Å; S391-T393 PolarHBondContact OG-OG1 2.83Å
394E90.6Very high89.6Confident27 Ų2750.5 Ų50.513%0.12628%0.279CS..G310 helixtrans-101.63.9-175.2-67.5168.1152.200112.1K240 F363 I390 S391 H392 D396 A397 L398K240-E394 IonicContact NZ-OE1 3.19Å; K240-E394 PolarHBondContact NZ-OE1 3.22Å; K240-E394 IonicContact NZ-OE2 3.51Å; K240-E394 PolarHBondContact NZ-OE2 3.42Å; F363-E394 HydrophobicContact CB-CB 3.87Å; F363-E394 VanDerWaalsContact CB-CD 3.49Å; F363-E394 HydrophobicContact CB-CG 3.92Å; F363-E394 PolarHBondContact N-OE1 2.97Å; I390-E394 HydrophobicContact CG2-CB 4.11Å; S391-E394 PolarHBondContact N-OE2 3.15Å; S391-E394 PolarHBondContact O-N 2.87Å; S391-E394 WeakPolarHBondContact OG-CG 3.28Å; S391-E394 PolarHBondContact OG-OE2 3.23Å; H392-E394 VanDerWaalsContact C-N 3.3Å; E394-D396 PolarHBondContact O-N 2.84Å; E394-A397 PolarHBondContact O-N 3.02Å; E394-L398 PolarHBondContact O-N 3.36Å
395L88.7Confident89.1Confident64 Ų6452.1 Ų52.134%0.33529%0.287SS..Hα-helixtrans-65.7-36.2-176.3-69.1174.8000113.4I390 L398 A399I390-L395 HydrophobicContact CG2-CD2 4.06Å; L395-L398 WeakPolarHBondContact O-CB 3.49Å; L395-L398 PolarHBondContact O-N 2.91Å; L395-A399 PolarHBondContact O-N 3.46Å
396D89.3Confident87.9Confident126 Ų12651.8 Ų51.867%0.67429%0.292SS*.Hα-helixtrans-67.7-44178.5-61.6-26.8000110.7E394 L398 A399 E400E394-D396 PolarHBondContact O-N 2.84Å; D396-L398 VanDerWaalsContact C-N 3.3Å; D396-L398 PolarHBondContact O-N 3.44Å; D396-A399 WeakPolarHBondContact O-CB 3.36Å; D396-A399 PolarHBondContact O-N 3.21Å; D396-A399 VanDerWaalsContact O-N 3.12Å; D396-E400 PolarHBondContact O-N 2.92Å; D396-E400 VanDerWaalsContact O-N 3.07Å
397A88.4Confident86.4Confident20 Ų2054.4 Ų54.417%0.16532%0.319CS..Hα-helixtrans-63.2-35.9175.200000112.1F363 E394 V401F363-A397 HydrophobicContact CD1-CB 3.97Å; F363-A397 HydrophobicContact CE1-CB 4.18Å; E394-A397 PolarHBondContact O-N 3.02Å; A397-V401 VanDerWaalsContact O-CG2 3.3Å; A397-V401 WeakPolarHBondContact O-CG2 3.34Å; A397-V401 PolarHBondContact O-N 3.26Å; A397-V401 VanDerWaalsContact O-N 3.13Å
398L89.8Confident84.1Confident10 Ų1062.4 Ų62.45%0.05236%0.362CS..Hα-helixtrans-60.7-46.9171.9174.166.4000111.1T232 F363 I390 E394 L395 D396 E400 V401 E402 L414T232-L398 HydrophobicContact CG2-CD1 4.29Å; F363-L398 HydrophobicContact CE1-CB 4.24Å; F363-L398 HydrophobicContact CE2-CD1 4.24Å; F363-L398 HydrophobicContact CZ-CB 4.31Å; F363-L398 HydrophobicContact CZ-CD1 3.9Å; I390-L398 HydrophobicContact CD1-CB 4.24Å; I390-L398 HydrophobicContact CD1-CD1 3.56Å; I390-L398 HydrophobicContact CD1-CD2 3.53Å; I390-L398 HydrophobicContact CD1-CG 3.93Å; I390-L398 HydrophobicContact CG2-CD2 4.44Å; E394-L398 PolarHBondContact O-N 3.36Å; L395-L398 WeakPolarHBondContact O-CB 3.49Å; L395-L398 PolarHBondContact O-N 2.91Å; D396-L398 VanDerWaalsContact C-N 3.3Å; D396-L398 PolarHBondContact O-N 3.44Å; L398-E400 VanDerWaalsContact C-N 3.33Å; L398-E400 PolarHBondContact O-N 3.2Å; L398-V401 PolarHBondContact O-N 2.97Å; L398-V401 VanDerWaalsContact O-N 3.16Å; L398-E402 HydrophobicContact CD1-CG 3.95Å; L398-E402 HydrophobicContact CG-CG 4.19Å; L398-E402 WeakPolarHBondContact O-CB 3.3Å; L398-E402 WeakPolarHBondContact O-CG 3.39Å; L398-E402 PolarHBondContact O-N 2.8Å; L398-L414 HydrophobicContact CD1-CD1 4.34Å
399A87.8Confident82Confident51 Ų5168.6 Ų68.642%0.42139%0.389SS..Hα-helixtrans-60.5-42.4-179.100000111.7L395 D396 V401 E402 E403L395-A399 PolarHBondContact O-N 3.46Å; D396-A399 WeakPolarHBondContact O-CB 3.36Å; D396-A399 PolarHBondContact O-N 3.21Å; D396-A399 VanDerWaalsContact O-N 3.12Å; A399-V401 VanDerWaalsContact C-N 3.34Å; A399-V401 PolarHBondContact O-N 3.42Å; A399-E402 PolarHBondContact O-N 2.92Å; A399-E403 WeakPolarHBondContact O-CB 3.44Å; A399-E403 PolarHBondContact O-N 3.15Å
400E88.3Confident79.6Confident106 Ų10674.2 Ų74.250%0.49544%0.436SS..Hα-helixtrans-60.4-41.6174.5-69.4-179.5-167.200112.4V367 D396 L398 A404V367-E400 HydrophobicContact CG2-CB 4.24Å; D396-E400 PolarHBondContact O-N 2.92Å; D396-E400 VanDerWaalsContact O-N 3.07Å; L398-E400 VanDerWaalsContact C-N 3.33Å; L398-E400 PolarHBondContact O-N 3.2Å; E400-A404 WeakPolarHBondContact O-CB 3.44Å; E400-A404 PolarHBondContact O-N 3.29Å
401V86.8Confident77.8Confident1 Ų180 Ų801%0.00646%0.463CS..Hα-helixtrans-68.7-43.4177.1174.50000111.1F363 V367 Y370 A397 L398 A399 E403 A404 L405 L414F363-V401 HydrophobicContact CE1-CB 4.48Å; F363-V401 HydrophobicContact CE1-CG2 3.95Å; F363-V401 HydrophobicContact CZ-CB 4.26Å; F363-V401 HydrophobicContact CZ-CG1 4.48Å; F363-V401 HydrophobicContact CZ-CG2 4.09Å; V367-V401 HydrophobicContact CG2-CG2 4.12Å; Y370-V401 HydrophobicContact CD1-CG1 3.56Å; Y370-V401 HydrophobicContact CD2-CG1 4.1Å; Y370-V401 HydrophobicContact CE1-CG1 3.88Å; Y370-V401 HydrophobicContact CE2-CG1 4.38Å; Y370-V401 HydrophobicContact CG-CG1 3.7Å; Y370-V401 HydrophobicContact CG-CG2 4.18Å; A397-V401 VanDerWaalsContact O-CG2 3.3Å; A397-V401 WeakPolarHBondContact O-CG2 3.34Å; A397-V401 PolarHBondContact O-N 3.26Å; A397-V401 VanDerWaalsContact O-N 3.13Å; L398-V401 PolarHBondContact O-N 2.97Å; L398-V401 VanDerWaalsContact O-N 3.16Å; A399-V401 VanDerWaalsContact C-N 3.34Å; A399-V401 PolarHBondContact O-N 3.42Å; V401-E403 VanDerWaalsContact C-N 3.35Å; V401-A404 PolarHBondContact O-N 2.92Å; V401-L405 HydrophobicContact CG1-CD1 3.68Å; V401-L405 HydrophobicContact CG1-CG 4.18Å; V401-L405 WeakPolarHBondContact O-CB 3.45Å; V401-L405 WeakPolarHBondContact O-CG 3.3Å; V401-L405 PolarHBondContact O-N 2.74Å; V401-L414 HydrophobicContact CG1-CD1 4.04Å
402E86.2Confident76.2Confident87 Ų8782.6 Ų82.641%0.40749%0.485SS..Hα-helixtrans-61.6-42.7177-76.4-179.9165.800111.5L398 A399 L405 G406 L414L398-E402 HydrophobicContact CD1-CG 3.95Å; L398-E402 HydrophobicContact CG-CG 4.19Å; L398-E402 WeakPolarHBondContact O-CB 3.3Å; L398-E402 WeakPolarHBondContact O-CG 3.39Å; L398-E402 PolarHBondContact O-N 2.8Å; A399-E402 PolarHBondContact O-N 2.92Å; E402-L405 PolarHBondContact O-N 3.28Å; E402-G406 WeakPolarHBondContact O-CA 3.38Å; E402-G406 PolarHBondContact O-N 3.03Å; E402-L414 HydrophobicContact CG-CD1 3.56Å
403E83.9Confident75.4Confident162 Ų16277 Ų7776%0.75746%0.462SS*.Hα-helixtrans-62.1-46.8175.3-175.2178.5178.200111.3A399 V401 L405 G406A399-E403 WeakPolarHBondContact O-CB 3.44Å; A399-E403 PolarHBondContact O-N 3.15Å; V401-E403 VanDerWaalsContact C-N 3.35Å; E403-L405 VanDerWaalsContact C-N 3.31Å; E403-L405 PolarHBondContact O-N 2.71Å; E403-G406 PolarHBondContact O-N 3.01Å
404A80.3Confident75.1Confident61 Ų6171.2 Ų71.250%0.50443%0.427SS..Hα-helixtrans-67.8-29.4-179.800000113.6V367 E400 V401V367-A404 HydrophobicContact CB-CB 4.35Å; V367-A404 HydrophobicContact CG1-CB 3.46Å; V367-A404 VanDerWaalsContact CG1-CB 3.46Å; V367-A404 HydrophobicContact CG2-CB 3.98Å; E400-A404 WeakPolarHBondContact O-CB 3.44Å; E400-A404 PolarHBondContact O-N 3.29Å; V401-A404 PolarHBondContact O-N 2.92Å
405L77Confident75Confident36 Ų3673.5 Ų73.519%0.18844%0.436CS..Hα-helixtrans-89.3-24.2178-65.8-179.6000113.5L222 Y370 I371 V401 E402 E403 G407 A413 L414L222-L405 HydrophobicContact CD1-CD1 3.96Å; L222-L405 HydrophobicContact CD1-CD2 3.51Å; L222-L405 HydrophobicContact CD1-CG 4.41Å; L222-L405 HydrophobicContact CG-CD2 4.09Å; Y370-L405 HydrophobicContact CD1-CD1 4.23Å; Y370-L405 HydrophobicContact CE1-CD1 3.74Å; I371-L405 HydrophobicContact CD1-CD2 4.4Å; I371-L405 HydrophobicContact CG1-CD2 4.45Å; V401-L405 HydrophobicContact CG1-CD1 3.68Å; V401-L405 HydrophobicContact CG1-CG 4.18Å; V401-L405 WeakPolarHBondContact O-CB 3.45Å; V401-L405 WeakPolarHBondContact O-CG 3.3Å; V401-L405 PolarHBondContact O-N 2.74Å; E402-L405 PolarHBondContact O-N 3.28Å; E403-L405 VanDerWaalsContact C-N 3.31Å; E403-L405 PolarHBondContact O-N 2.71Å; L405-G407 PolarHBondContact O-N 3.17Å; L405-A413 HydrophobicContact CB-CB 3.78Å; L405-A413 HydrophobicContact CD1-CB 4.36Å; L405-L414 HydrophobicContact CD1-CD1 3.87Å; L405-L414 HydrophobicContact CD1-CG 4.47Å
406G67.1Low75Confident38 Ų3875.4 Ų75.439%0.39245%0.453SS..  trans-83.26.9-170.700000116.4E402 E403 D408E402-G406 WeakPolarHBondContact O-CA 3.38Å; E402-G406 PolarHBondContact O-N 3.03Å; E403-G406 PolarHBondContact O-N 3.01Å; G406-D408 PolarHBondContact O-N 2.91Å
407G60.6Low75Confident55 Ų5574.8 Ų74.857%0.56744%0.442SS*.SBendtrans-52.6133.1-179.900000113.3L405 K409L405-G407 PolarHBondContact O-N 3.17Å; G407-K409 PolarHBondContact O-N 3.34Å
408D47Very low74.7Confident186 Ų18682.8 Ų82.8100%0.99548%0.476SS*.SBendtrans38.7-3.2176.7-89.50.3000119.9G406G406-D408 PolarHBondContact O-N 2.91Å
409K51.4Low74.3Confident131 Ų13184 Ų8457%0.5748%0.48SS*.  trans-100125.2-178.5-72.7-173.9177.2-177.20109.9D224 G407 E411D224-K409 IonicContact OD1-NZ 3.1Å; G407-K409 PolarHBondContact O-N 3.34Å; K409-E411 PolarHBondContact O-N 2.92Å
410A44.5Very low74.2Confident118 Ų11888.1 Ų88.198%0.97549%0.489SS*.SBendtrans-72-1.1-177.600000115.4
411E55.5Low74.1Confident123 Ų12385.7 Ų85.758%0.57548%0.478SS*.SBendtrans-110.8125.4180-139.8-172.1153.100109.7K409 A413 K415K409-E411 PolarHBondContact O-N 2.92Å; E411-A413 PolarHBondContact O-N 3.44Å; E411-A413 VanDerWaalsContact O-N 3.14Å; E411-K415 IonicContact OE1-NZ 2.84Å; E411-K415 PolarHBondContact OE1-NZ 3.38Å
412A59.5Low74Confident68 Ų6894.3 Ų94.356%0.56252%0.518SS*.  trans-57.6119.3-179.700000110.6L414A412-L414 PolarHBondContact O-N 2.89Å
413A71Confident73.9Confident21 Ų2193.5 Ų93.517%0.17452%0.515CS..SBendtrans-61.1-28.8179.100000112.2Q230 L405 E411Q230-A413 WeakPolarHBondContact CB-O 3.49Å; L405-A413 HydrophobicContact CB-CB 3.78Å; L405-A413 HydrophobicContact CD1-CB 4.36Å; E411-A413 PolarHBondContact O-N 3.44Å; E411-A413 VanDerWaalsContact O-N 3.14Å
414L84Confident74Confident5 Ų586 Ų863%0.02648%0.48CS..SBendtrans-109.1119.1174.7-73.7133.8000109.7Q230 T232 Y370 L398 V401 E402 L405 A412Q230-L414 HydrophobicContact CB-CD2 4.49Å; T232-L414 HydrophobicContact CG2-CB 4.08Å; T232-L414 HydrophobicContact CG2-CD2 3.42Å; T232-L414 VanDerWaalsContact CG2-CD2 3.42Å; T232-L414 HydrophobicContact CG2-CG 4.37Å; Y370-L414 HydrophobicContact CE2-CD2 4.36Å; Y370-L414 VanDerWaalsContact OH-CD2 3.29Å; Y370-L414 WeakPolarHBondContact OH-CD2 3.5Å; L398-L414 HydrophobicContact CD1-CD1 4.34Å; V401-L414 HydrophobicContact CG1-CD1 4.04Å; E402-L414 HydrophobicContact CG-CD1 3.56Å; L405-L414 HydrophobicContact CD1-CD1 3.87Å; L405-L414 HydrophobicContact CD1-CG 4.47Å; A412-L414 PolarHBondContact O-N 2.89Å
415K88.6Confident74.4Confident74 Ų7487.2 Ų87.232%0.32248%0.475SS..EExtended strand (participates in β ladder)trans-96.9126.2-180-64.2-175.6177.5-171.10109.9Q230 Y231 T232 E411 Y417Q230-K415 PolarHBondContact O-N 2.95Å; Y231-K415 CarbonylContact C-O 3.54Å; Y231-K415 WeakPolarHBondContact CA-O 3.47Å; Y231-K415 HydrophobicContact CD1-CB 4.06Å; Y231-K415 HydrophobicContact CE1-CB 4.23Å; T232-K415 PolarHBondContact N-O 3.31Å; E411-K415 IonicContact OE1-NZ 2.84Å; E411-K415 PolarHBondContact OE1-NZ 3.38Å; K415-Y417 PolarHBondContact O-N 3.28Å
416P88.3Confident74.7Confident105 Ų10587.1 Ų87.168%0.68248%0.483SS*.EExtended strand (participates in β ladder)trans-63.5131.7172.227.1-32.7000109.3
417Y88Confident75.7Confident113 Ų11385.3 Ų85.344%0.44346%0.464SS..  trans-105.2110.5176.3-171.6-84.4000109.6Y231 T232 I233 K415 F419Y231-Y417 AromaticContact CD1-CD2 3.9Å; Y231-Y417 HydrophobicContact CD1-CD2 3.9Å; Y231-Y417 HydrophobicContact CE1-CD2 4.26Å; Y231-Y417 HydrophobicContact CG-CD2 4.27Å; T232-Y417 PolarHBondContact O-N 3.06Å; I233-Y417 HydrophobicContact CD1-CD1 3.89Å; I233-Y417 HydrophobicContact CG1-CD1 4.19Å; K415-Y417 PolarHBondContact O-N 3.28Å; Y417-F419 HydrophobicContact CD1-CB 4.02Å; Y417-F419 HydrophobicContact CD1-CD2 4.31Å; Y417-F419 HydrophobicContact CE1-CB 4.03Å; Y417-F419 AromaticContact CE1-CD2 3.72Å; Y417-F419 HydrophobicContact CE1-CD2 3.72Å; Y417-F419 HydrophobicContact CE1-CG 4.3Å; Y417-F419 PolarHBondContact O-N 2.98Å
418E83.4Confident77.2Confident187 Ų18784.7 Ų84.787%0.87445%0.445SS*.  trans-77.993.4175.9-69.2-173.8175.500110
419F81.9Confident79.2Confident35 Ų3581.5 Ų81.515%0.15442%0.42CS..  trans-84.7125.2172.8-162.3-71.7000110I233 L243 L247 L252 Y417 M421 I424I233-F419 HydrophobicContact CD1-CB 4.17Å; I233-F419 HydrophobicContact CD1-CD2 4.44Å; L243-F419 HydrophobicContact CD2-CB 4.36Å; L243-F419 HydrophobicContact CD2-CD1 3.94Å; L243-F419 HydrophobicContact CD2-CD2 3.91Å; L243-F419 HydrophobicContact CD2-CE1 4.21Å; L243-F419 HydrophobicContact CD2-CE2 4.2Å; L243-F419 HydrophobicContact CD2-CG 3.78Å; L243-F419 HydrophobicContact CD2-CZ 4.33Å; L247-F419 HydrophobicContact CD2-CD2 4.42Å; L247-F419 HydrophobicContact CD2-CE2 3.76Å; L247-F419 HydrophobicContact CG-CE2 4.42Å; L252-F419 HydrophobicContact CD1-CE2 4.22Å; L252-F419 HydrophobicContact CD1-CZ 4.33Å; Y417-F419 HydrophobicContact CD1-CB 4.02Å; Y417-F419 HydrophobicContact CD1-CD2 4.31Å; Y417-F419 HydrophobicContact CE1-CB 4.03Å; Y417-F419 AromaticContact CE1-CD2 3.72Å; Y417-F419 HydrophobicContact CE1-CD2 3.72Å; Y417-F419 HydrophobicContact CE1-CG 4.3Å; Y417-F419 PolarHBondContact O-N 2.98Å; F419-M421 VanDerWaalsContact C-N 3.34Å; F419-M421 HydrophobicContact CB-CE 3.64Å; F419-M421 HydrophobicContact CD1-CE 3.24Å; F419-M421 HydrophobicContact CE1-CE 4.14Å; F419-M421 HydrophobicContact CG-CE 3.66Å; F419-M421 PolarHBondContact O-N 3.01Å; F419-I424 HydrophobicContact CD1-CD1 4.13Å; F419-I424 HydrophobicContact CE1-CB 4.49Å; F419-I424 HydrophobicContact CE1-CD1 3.55Å; F419-I424 HydrophobicContact CE1-CG1 3.94Å; F419-I424 HydrophobicContact CE1-CG2 3.77Å; F419-I424 HydrophobicContact CZ-CD1 4.3Å; F419-I424 HydrophobicContact CZ-CG2 4.11Å
420K85.9Confident81Confident139 Ų13975.5 Ų75.560%0.60439%0.393SS*.  trans-7185.7176.3-65.4-178.4-179.5-178.10111.4E422 E423K420-E422 PolarHBondContact O-N 2.67Å; K420-E422 VanDerWaalsContact O-N 3.16Å; K420-E423 HydrophobicContact CB-CG 4.09Å; K420-E423 HydrophobicContact CD-CG 4.36Å; K420-E423 WeakPolarHBondContact CD-OE1 3.43Å; K420-E423 IonicContact NZ-OE1 3.62Å; K420-E423 PolarHBondContact O-N 2.87Å; K420-E423 VanDerWaalsContact O-N 3.15Å
421M84.8Confident83.2Confident55 Ų5570 Ų7027%0.27135%0.348SS..Hα-helixtrans-53.6-34.2178.2-72.3-62.411300112.7L243 F419 E423 I424 E425L243-M421 HydrophobicContact CD1-CE 4.04Å; L243-M421 HydrophobicContact CD2-CE 3.33Å; L243-M421 HydrophobicContact CG-CE 3.79Å; F419-M421 VanDerWaalsContact C-N 3.34Å; F419-M421 HydrophobicContact CB-CE 3.64Å; F419-M421 HydrophobicContact CD1-CE 3.24Å; F419-M421 HydrophobicContact CE1-CE 4.14Å; F419-M421 HydrophobicContact CG-CE 3.66Å; F419-M421 PolarHBondContact O-N 3.01Å; M421-E423 VanDerWaalsContact C-N 3.27Å; M421-E423 PolarHBondContact O-N 3.09Å; M421-I424 HydrophobicContact CE-CD1 4.04Å; M421-I424 WeakPolarHBondContact O-CG1 3.16Å; M421-I424 PolarHBondContact O-N 3.21Å; M421-I424 VanDerWaalsContact O-N 3.07Å; M421-I424 HydrophobicContact SD-CD1 4.05Å; M421-E425 PolarHBondContact O-N 3.05Å; M421-E425 VanDerWaalsContact O-N 3.12Å
422E85.6Confident84.9Confident181 Ų18169.2 Ų69.285%0.84634%0.339SS*.Hα-helixtrans-58.1-36.7-179.7-60.5176.6-170.300113.1K420 I424K420-E422 PolarHBondContact O-N 2.67Å; K420-E422 VanDerWaalsContact O-N 3.16Å; E422-I424 PolarHBondContact O-N 3.28Å
423E84.5Confident86.3Confident71 Ų7168.1 Ų68.133%0.33232%0.324SS..Hα-helixtrans-70.6-23.5-179.3-66.3-171.1-168.700112K420 M421 P499 T501K420-E423 HydrophobicContact CB-CG 4.09Å; K420-E423 HydrophobicContact CD-CG 4.36Å; K420-E423 WeakPolarHBondContact CD-OE1 3.43Å; K420-E423 IonicContact NZ-OE1 3.62Å; K420-E423 PolarHBondContact O-N 2.87Å; K420-E423 VanDerWaalsContact O-N 3.15Å; M421-E423 VanDerWaalsContact C-N 3.27Å; M421-E423 PolarHBondContact O-N 3.09Å; E423-P499 HydrophobicContact CB-CB 4.29Å; E423-P499 HydrophobicContact CB-CG 4.05Å; E423-T501 PolarHBondContact OE2-OG1 2.79Å
424I86Confident87.2Confident3 Ų367.1 Ų67.12%0.01532%0.316CS..Hα-helixtrans-106.6-0.4-177.563.2165.9000114.1L242 L243 T246 F419 M421 E422 G426 F427L242-I424 HydrophobicContact CD2-CD1 4.13Å; L242-I424 HydrophobicContact CD2-CG1 4.37Å; L242-I424 HydrophobicContact CG-CD1 3.96Å; L243-I424 HydrophobicContact CD2-CD1 4.28Å; T246-I424 HydrophobicContact CG2-CB 4.02Å; T246-I424 HydrophobicContact CG2-CD1 4.37Å; T246-I424 HydrophobicContact CG2-CG2 3.99Å; F419-I424 HydrophobicContact CD1-CD1 4.13Å; F419-I424 HydrophobicContact CE1-CB 4.49Å; F419-I424 HydrophobicContact CE1-CD1 3.55Å; F419-I424 HydrophobicContact CE1-CG1 3.94Å; F419-I424 HydrophobicContact CE1-CG2 3.77Å; F419-I424 HydrophobicContact CZ-CD1 4.3Å; F419-I424 HydrophobicContact CZ-CG2 4.11Å; M421-I424 HydrophobicContact CE-CD1 4.04Å; M421-I424 WeakPolarHBondContact O-CG1 3.16Å; M421-I424 PolarHBondContact O-N 3.21Å; M421-I424 VanDerWaalsContact O-N 3.07Å; M421-I424 HydrophobicContact SD-CD1 4.05Å; E422-I424 PolarHBondContact O-N 3.28Å; I424-G426 PolarHBondContact O-N 3.08Å; I424-G426 VanDerWaalsContact O-N 3.15Å; I424-F427 HydrophobicContact CB-CD2 4.24Å; I424-F427 WeakPolarHBondContact O-CB 3.32Å; I424-F427 PolarHBondContact O-N 3.49Å
425E86.9Confident87.4Confident88 Ų8868.1 Ų68.141%0.41132%0.321SS..G310 helixtrans-59.7-31.3-177.8-171.155.9-149.600111.9M421 F427 R428M421-E425 PolarHBondContact O-N 3.05Å; M421-E425 VanDerWaalsContact O-N 3.12Å; E425-F427 PolarHBondContact O-N 3.38Å; E425-F427 VanDerWaalsContact O-N 3.12Å; E425-R428 VanDerWaalsContact CD-NE 3.32Å; E425-R428 VanDerWaalsContact O-CB 3.22Å; E425-R428 WeakPolarHBondContact O-CB 3.22Å; E425-R428 PolarHBondContact O-N 3.13Å; E425-R428 WeakPolarHBondContact OE1-CD 3.25Å; E425-R428 IonicContact OE1-CZ 2.74Å; E425-R428 IonicContact OE1-NE 3.59Å; E425-R428 PolarHBondContact OE1-NE 3.14Å; E425-R428 IonicContact OE2-CZ 3.23Å; E425-R428 IonicContact OE2-NE 3.69Å; E425-R428 PolarHBondContact OE2-NE 3.48Å; E425-R428 IonicContact OE2-NH2 2.58Å; E425-R428 PolarHBondContact OE2-NH2 2.88Å
426G84.9Confident87.4Confident34 Ų3473.9 Ų73.935%0.35134%0.34SS..G310 helixtrans-59.3-21.4172.300000114.2I424 Y429 L497I424-G426 PolarHBondContact O-N 3.08Å; I424-G426 VanDerWaalsContact O-N 3.15Å; G426-Y429 WeakPolarHBondContact O-CD1 3.28Å; G426-Y429 WeakPolarHBondContact O-CE1 3.18Å; G426-L497 VanDerWaalsContact O-CD2 3.28Å; G426-L497 WeakPolarHBondContact O-CD2 3.38Å
427F87.9Confident87.3Confident0 Ų069.9 Ų69.90%032%0.316CS..G310 helixtrans-85.2-14175.6-68.5-90.2000113.2L242 Y245 T246 L250 I424 E425 Y429 R430 C431 I493 L497L242-F427 HydrophobicContact CD1-CB 3.7Å; Y245-F427 HydrophobicContact CD1-CB 4.38Å; Y245-F427 HydrophobicContact CE1-CB 3.89Å; Y245-F427 AromaticContact CE1-CD1 3.52Å; Y245-F427 HydrophobicContact CE1-CD1 3.52Å; Y245-F427 HydrophobicContact CE1-CE1 4.46Å; Y245-F427 HydrophobicContact CE1-CG 4.09Å; Y245-F427 AromaticContact CZ-CD1 3.82Å; T246-F427 HydrophobicContact CG2-CB 4Å; T246-F427 HydrophobicContact CG2-CD1 4.41Å; T246-F427 HydrophobicContact CG2-CD2 4.04Å; T246-F427 HydrophobicContact CG2-CG 3.91Å; L250-F427 HydrophobicContact CD2-CZ 4.09Å; I424-F427 HydrophobicContact CB-CD2 4.24Å; I424-F427 WeakPolarHBondContact O-CB 3.32Å; I424-F427 PolarHBondContact O-N 3.49Å; E425-F427 PolarHBondContact O-N 3.38Å; E425-F427 VanDerWaalsContact O-N 3.12Å; F427-Y429 VanDerWaalsContact C-N 3.31Å; F427-Y429 PolarHBondContact O-N 2.58Å; F427-R430 WeakPolarHBondContact O-CB 3.44Å; F427-R430 PolarHBondContact O-N 3.02Å; F427-C431 PolarHBondContact O-N 2.95Å; F427-I493 HydrophobicContact CE1-CD1 4.01Å; F427-I493 HydrophobicContact CE1-CG1 4.14Å; F427-I493 HydrophobicContact CE1-CG2 3.56Å; F427-I493 HydrophobicContact CZ-CG2 3.89Å; F427-L497 HydrophobicContact CD1-CD1 4.32Å; F427-L497 HydrophobicContact CE1-CB 4.02Å; F427-L497 HydrophobicContact CE1-CD1 4.41Å; F427-L497 HydrophobicContact CE2-CB 4.09Å; F427-L497 WeakPolarHBondContact CE2-O 3.33Å; F427-L497 HydrophobicContact CZ-CB 3.77Å; F427-L497 WeakPolarHBondContact CZ-O 3.45Å
428R91.1Very high87.4Confident41 Ų4164.6 Ų64.616%0.15530%0.296CS..Hα-helixtrans-58.5-39.8-174.6-170.8-178.4-73.5-91.1-0.8112.6E238 D239 L242 E425 R430 C431 R432E238-R428 IonicContact OE2-NH1 2.8Å; D239-R428 IonicContact OD1-CZ 2.7Å; D239-R428 IonicContact OD1-NH1 2.79Å; D239-R428 PolarHBondContact OD1-NH1 3.33Å; D239-R428 IonicContact OD1-NH2 2.7Å; D239-R428 PolarHBondContact OD1-NH2 3.25Å; L242-R428 HydrophobicContact CD2-CB 4.29Å; E425-R428 VanDerWaalsContact CD-NE 3.32Å; E425-R428 VanDerWaalsContact O-CB 3.22Å; E425-R428 WeakPolarHBondContact O-CB 3.22Å; E425-R428 PolarHBondContact O-N 3.13Å; E425-R428 WeakPolarHBondContact OE1-CD 3.25Å; E425-R428 IonicContact OE1-CZ 2.74Å; E425-R428 IonicContact OE1-NE 3.59Å; E425-R428 PolarHBondContact OE1-NE 3.14Å; E425-R428 IonicContact OE2-CZ 3.23Å; E425-R428 IonicContact OE2-NE 3.69Å; E425-R428 PolarHBondContact OE2-NE 3.48Å; E425-R428 IonicContact OE2-NH2 2.58Å; E425-R428 PolarHBondContact OE2-NH2 2.88Å; R428-R430 VanDerWaalsContact C-N 3.29Å; R428-R430 PolarHBondContact O-N 3.21Å; R428-C431 WeakPolarHBondContact O-CB 3.45Å; R428-C431 PolarHBondContact O-N 3.43Å; R428-R432 WeakPolarHBondContact O-CG 3.21Å; R428-R432 PolarHBondContact O-N 3.2Å
429Y89.3Confident87.7Confident120 Ų12058.9 Ų58.947%0.47127%0.273SS..Hα-helixtrans-63-37178.981.5-91.8000112.2G426 F427 D433 Y496 L497G426-Y429 WeakPolarHBondContact O-CD1 3.28Å; G426-Y429 WeakPolarHBondContact O-CE1 3.18Å; F427-Y429 VanDerWaalsContact C-N 3.31Å; F427-Y429 PolarHBondContact O-N 2.58Å; Y429-D433 WeakPolarHBondContact O-CB 3.44Å; Y429-D433 PolarHBondContact O-N 2.67Å; Y429-Y496 PolarHBondContact OH-OH 2.85Å; Y429-L497 HydrophobicContact CE1-CD1 3.96Å; Y429-L497 HydrophobicContact CE1-CD2 4.23Å
430R89.5Confident88Confident5 Ų566 Ų662%0.01930%0.304CS..Hα-helixtrans-70.6-43.6176.7-63.1-175.267.4-176.55.6110.9Y245 F277 F427 R428 R432 D433 A434 M490 N492Y245-R430 VanDerWaalsContact OH-CZ 3.31Å; Y245-R430 PolarHBondContact OH-NH1 3.46Å; Y245-R430 VanDerWaalsContact OH-NH1 3.14Å; F277-R430 HydrophobicContact CE1-CB 4.25Å; F427-R430 WeakPolarHBondContact O-CB 3.44Å; F427-R430 PolarHBondContact O-N 3.02Å; R428-R430 VanDerWaalsContact C-N 3.29Å; R428-R430 PolarHBondContact O-N 3.21Å; R430-R432 VanDerWaalsContact C-N 3.32Å; R430-R432 PolarHBondContact O-N 2.94Å; R430-D433 PolarHBondContact O-N 2.92Å; R430-A434 WeakPolarHBondContact O-CB 3.47Å; R430-A434 PolarHBondContact O-N 3.37Å; R430-M490 HydrophobicContact CB-CE 3.87Å; R430-M490 HydrophobicContact CB-SD 4.36Å; R430-M490 HydrophobicContact CG-SD 4.41Å; R430-M490 PolarHBondContact NH2-O 2.9Å; R430-M490 WeakPolarHBondContact O-CE 3.29Å; R430-N492 PolarHBondContact NH1-O 3.28Å; R430-N492 PolarHBondContact NH2-O 3.41Å
431C90.1Very high88.1Confident2 Ų263.6 Ų63.61%0.01430%0.295CS..Hα-helixtrans-54.8-50.4173.7-174.90000110.5L242 F427 R428 D433 A434 M435L242-C431 HydrophobicContact CD1-CB 4.01Å; F427-C431 PolarHBondContact O-N 2.95Å; R428-C431 WeakPolarHBondContact O-CB 3.45Å; R428-C431 PolarHBondContact O-N 3.43Å; C431-D433 VanDerWaalsContact C-N 3.35Å; C431-D433 PolarHBondContact O-N 2.7Å; C431-A434 PolarHBondContact O-N 3.47Å; C431-M435 WeakPolarHBondContact O-CB 3.17Å; C431-M435 WeakPolarHBondContact O-CG 3.28Å; C431-M435 PolarHBondContact O-N 3.07Å
432R91.1Very high88.3Confident107 Ų10761.1 Ų61.140%0.40428%0.284SS..Hα-helixtrans-60.5-40.5177.1-74.4-180173.9167.60.7113.3E238 R428 R430 M435 R436E238-R432 IonicContact OE2-CZ 2.69Å; E238-R432 IonicContact OE2-NE 3.82Å; E238-R432 PolarHBondContact OE2-NE 3.04Å; E238-R432 IonicContact OE2-NH2 2.73Å; E238-R432 PolarHBondContact OE2-NH2 3.05Å; R428-R432 WeakPolarHBondContact O-CG 3.21Å; R428-R432 PolarHBondContact O-N 3.2Å; R430-R432 VanDerWaalsContact C-N 3.32Å; R430-R432 PolarHBondContact O-N 2.94Å; R432-M435 HydrophobicContact CG-CE 4.01Å; R432-M435 PolarHBondContact O-N 2.89Å; R432-R436 VanDerWaalsContact O-CG 3.29Å; R432-R436 WeakPolarHBondContact O-CG 3.2Å; R432-R436 PolarHBondContact O-N 3.47Å
433D89.2Confident88.5Confident45 Ų4552.9 Ų52.924%0.24125%0.246CC..Hα-helixtrans-67-40.7178.9-169.351.1000112.6Y429 R430 C431 R436 A437 K487 M490Y429-D433 WeakPolarHBondContact O-CB 3.44Å; Y429-D433 PolarHBondContact O-N 2.67Å; R430-D433 PolarHBondContact O-N 2.92Å; C431-D433 VanDerWaalsContact C-N 3.35Å; C431-D433 PolarHBondContact O-N 2.7Å; D433-R436 PolarHBondContact O-N 2.58Å; D433-A437 PolarHBondContact O-N 2.7Å; D433-K487 IonicContact OD1-NZ 3.37Å; D433-K487 PolarHBondContact OD1-NZ 3.19Å; D433-K487 VanDerWaalsContact OD2-CD 3.3Å; D433-K487 WeakPolarHBondContact OD2-CD 3.46Å; D433-K487 IonicContact OD2-NZ 2.61Å; D433-K487 PolarHBondContact OD2-NZ 3.23Å; D433-M490 HydrophobicContact CB-CE 4.33Å
434A89.3Confident88.6Confident0 Ų055.4 Ų55.40%026%0.256CS..Hα-helixtrans-66.4-44.6173.400000111.7F273 Q276 F277 R430 C431 R436 A437 V438 M490F273-A434 HydrophobicContact CD2-CB 3.79Å; F273-A434 HydrophobicContact CE2-CB 3.73Å; Q276-A434 HydrophobicContact CB-CB 4Å; Q276-A434 HydrophobicContact CG-CB 4.08Å; F277-A434 HydrophobicContact CE1-CB 4.42Å; F277-A434 HydrophobicContact CE2-CB 3.6Å; F277-A434 HydrophobicContact CZ-CB 3.44Å; F277-A434 VanDerWaalsContact CZ-CB 3.44Å; R430-A434 WeakPolarHBondContact O-CB 3.47Å; R430-A434 PolarHBondContact O-N 3.37Å; C431-A434 PolarHBondContact O-N 3.47Å; A434-R436 VanDerWaalsContact C-N 3.26Å; A434-R436 PolarHBondContact O-N 3.37Å; A434-A437 WeakPolarHBondContact O-CB 3.49Å; A434-A437 PolarHBondContact O-N 3.02Å; A434-V438 PolarHBondContact O-N 3.25Å; A434-M490 HydrophobicContact CB-CE 4.02Å
435M89.1Confident88.7Confident26 Ų2656.1 Ų56.113%0.12826%0.259CS..Hα-helixtrans-59.6-36176.7-74.5-168.1-68.400112.7E238 F241 F273 C431 R432 A437 V438E238-M435 HydrophobicContact CG-CE 4.31Å; F241-M435 HydrophobicContact CB-SD 4.03Å; F241-M435 HydrophobicContact CD2-SD 4Å; F241-M435 HydrophobicContact CG-CG 4.49Å; F241-M435 HydrophobicContact CG-SD 4.01Å; F273-M435 HydrophobicContact CD2-CG 3.93Å; F273-M435 HydrophobicContact CE2-CG 3.74Å; C431-M435 WeakPolarHBondContact O-CB 3.17Å; C431-M435 WeakPolarHBondContact O-CG 3.28Å; C431-M435 PolarHBondContact O-N 3.07Å; R432-M435 HydrophobicContact CG-CE 4.01Å; R432-M435 PolarHBondContact O-N 2.89Å; M435-A437 VanDerWaalsContact C-N 3.33Å; M435-V438 PolarHBondContact O-N 3.15Å
436R88.9Confident88.7Confident195 Ų19553 Ų5374%0.73625%0.248SC*.Hα-helixtrans-67.8-32.1175.2-75.5173.4-178.7-179.10.2112.9R432 D433 A434 V438R432-R436 VanDerWaalsContact O-CG 3.29Å; R432-R436 WeakPolarHBondContact O-CG 3.2Å; R432-R436 PolarHBondContact O-N 3.47Å; D433-R436 PolarHBondContact O-N 2.58Å; A434-R436 VanDerWaalsContact C-N 3.26Å; A434-R436 PolarHBondContact O-N 3.37Å; R436-V438 VanDerWaalsContact C-N 3.32Å
437A86.5Confident88.9Confident21 Ų2154.6 Ų54.617%0.17424%0.244CC..Hα-helixtrans-70.8-29.6175.900000112.2D433 A434 M435 T439D433-A437 PolarHBondContact O-N 2.7Å; A434-A437 WeakPolarHBondContact O-CB 3.49Å; A434-A437 PolarHBondContact O-N 3.02Å; M435-A437 VanDerWaalsContact C-N 3.33Å; A437-T439 PolarHBondContact O-N 3.25Å
438V89.1Confident88.7Confident2 Ų259.1 Ų59.11%0.01227%0.268CS..SBendtrans-88.583.7179.5-172.50000110.8R269 L272 F273 A434 M435 R436 V443R269-V438 HydrophobicContact CB-CG1 4.42Å; R269-V438 HydrophobicContact CG-CG1 3.83Å; L272-V438 HydrophobicContact CB-CG1 3.83Å; L272-V438 HydrophobicContact CB-CG2 3.95Å; L272-V438 HydrophobicContact CD1-CG1 4.11Å; F273-V438 HydrophobicContact CB-CG2 4.23Å; A434-V438 PolarHBondContact O-N 3.25Å; M435-V438 PolarHBondContact O-N 3.15Å; R436-V438 VanDerWaalsContact C-N 3.32Å; V438-V443 HydrophobicContact CG1-CG2 3.86Å
439T90.1Very high88.5Confident66 Ų6661.2 Ų61.241%0.40528%0.278SS..  trans-81161177.669.40000112A437 Q441 A442 V443A437-T439 PolarHBondContact O-N 3.25Å; T439-Q441 PolarHBondContact O-N 3.07Å; T439-A442 PolarHBondContact O-N 3.36Å; T439-A442 PolarHBondContact OG1-N 2.95Å; T439-A442 VanDerWaalsContact OG1-N 3.17Å; T439-V443 WeakPolarHBondContact O-CG2 3.04Å; T439-V443 PolarHBondContact O-N 2.91Å; T439-V443 VanDerWaalsContact O-N 3.08Å
440K88.8Confident88.2Confident184 Ų18456.8 Ų56.880%0.826%0.261SS*.Hα-helixtrans-57-34.6172.7-68.2-175.3178.6-1780112.2V443 K444K440-V443 PolarHBondContact O-N 2.8Å; K440-K444 PolarHBondContact O-N 2.97Å
441Q87.9Confident87.9Confident89 Ų8958.9 Ų58.942%0.41627%0.272SS..Hα-helixtrans-67.3-46.4178.3-16868.614.200111.3T439 V443 K444 E445 H482T439-Q441 PolarHBondContact O-N 3.07Å; Q441-V443 VanDerWaalsContact C-N 3.3Å; Q441-V443 PolarHBondContact O-N 3.4Å; Q441-K444 PolarHBondContact O-N 3.34Å; Q441-E445 WeakPolarHBondContact O-CG 3.28Å; Q441-E445 PolarHBondContact O-N 2.85Å; Q441-H482 HydrophobicContact CG-CB 3.91Å; Q441-H482 WeakPolarHBondContact CG-CD2 3.02Å
442A87.8Confident87.6Confident4 Ų460 Ų603%0.03328%0.277CS..Hα-helixtrans-61.5-38.3176.700000112.3L272 T439 E445 A446 A484L272-A442 HydrophobicContact CD1-CB 4.41Å; T439-A442 PolarHBondContact O-N 3.36Å; T439-A442 PolarHBondContact OG1-N 2.95Å; T439-A442 VanDerWaalsContact OG1-N 3.17Å; A442-E445 PolarHBondContact O-N 3.12Å; A442-A446 WeakPolarHBondContact O-CB 3.39Å; A442-A446 PolarHBondContact O-N 2.81Å; A442-A484 HydrophobicContact CB-CB 4.21Å
443V89.9Confident87.1Confident8 Ų859.8 Ų59.85%0.04828%0.28CS..Hα-helixtrans-61.5-48.6174.2170.50000111.2D265 R269 L272 V438 T439 K440 Q441 E445 A446 R447D265-V443 HydrophobicContact CB-CG1 4.15Å; D265-V443 VanDerWaalsContact O-CG1 3.27Å; D265-V443 WeakPolarHBondContact O-CG1 3.32Å; R269-V443 HydrophobicContact CB-CG2 3.82Å; R269-V443 HydrophobicContact CG-CG2 4.29Å; L272-V443 HydrophobicContact CD1-CG2 4.09Å; V438-V443 HydrophobicContact CG1-CG2 3.86Å; T439-V443 WeakPolarHBondContact O-CG2 3.04Å; T439-V443 PolarHBondContact O-N 2.91Å; T439-V443 VanDerWaalsContact O-N 3.08Å; K440-V443 PolarHBondContact O-N 2.8Å; Q441-V443 VanDerWaalsContact C-N 3.3Å; Q441-V443 PolarHBondContact O-N 3.4Å; V443-E445 VanDerWaalsContact C-N 3.31Å; V443-E445 PolarHBondContact O-N 2.84Å; V443-A446 PolarHBondContact O-N 2.92Å; V443-R447 WeakPolarHBondContact O-CB 3.23Å; V443-R447 PolarHBondContact O-N 2.66Å
444K88.1Confident86.7Confident124 Ų12460 Ų6054%0.53928%0.28SS..Hα-helixtrans-60.8-42.5179.1-174.1178.8178.2-177.50111.4K440 Q441 R447 L448K440-K444 PolarHBondContact O-N 2.97Å; Q441-K444 PolarHBondContact O-N 3.34Å; K444-R447 PolarHBondContact O-N 2.99Å; K444-L448 HydrophobicContact CG-CD1 4.14Å; K444-L448 WeakPolarHBondContact O-CB 3.26Å; K444-L448 VanDerWaalsContact O-CG 3.29Å; K444-L448 WeakPolarHBondContact O-CG 3.4Å; K444-L448 PolarHBondContact O-N 3.22Å
445E87.5Confident86.4Confident18 Ų1863.1 Ų63.18%0.08430%0.297CS..Hα-helixtrans-68.6-41.6178.5-72.4-176.2-166.800112.9Q441 A442 V443 R447 L448 K449 I481 H482Q441-E445 WeakPolarHBondContact O-CG 3.28Å; Q441-E445 PolarHBondContact O-N 2.85Å; A442-E445 PolarHBondContact O-N 3.12Å; V443-E445 VanDerWaalsContact C-N 3.31Å; V443-E445 PolarHBondContact O-N 2.84Å; E445-R447 VanDerWaalsContact C-N 3.3Å; E445-R447 PolarHBondContact O-N 2.79Å; E445-L448 PolarHBondContact O-N 3.49Å; E445-K449 VanDerWaalsContact O-CB 3.27Å; E445-K449 WeakPolarHBondContact O-CB 3.22Å; E445-K449 PolarHBondContact O-N 3.05Å; E445-I481 PolarHBondContact OE2-N 2.83Å; E445-H482 VanDerWaalsContact OE1-CB 3.28Å; E445-H482 WeakPolarHBondContact OE1-CB 3.49Å; E445-H482 IonicContact OE1-CD2 3.41Å; E445-H482 PolarHBondContact OE1-CD2 2.88Å; E445-H482 IonicContact OE1-CG 2.78Å; E445-H482 PolarHBondContact OE1-N 2.9Å; E445-H482 WeakPolarHBondContact OE2-CA 3.43Å; E445-H482 PolarHBondContact OE2-N 2.93Å
446A86.8Confident86Confident23 Ų2364.8 Ų64.819%0.1931%0.306CS..Hα-helixtrans-59.2-43174.900000111.7Y268 L272 A442 V443 K449 E450Y268-A446 HydrophobicContact CD1-CB 4.37Å; L272-A446 HydrophobicContact CD1-CB 3.99Å; L272-A446 HydrophobicContact CD2-CB 4.14Å; L272-A446 HydrophobicContact CG-CB 4.36Å; A442-A446 WeakPolarHBondContact O-CB 3.39Å; A442-A446 PolarHBondContact O-N 2.81Å; V443-A446 PolarHBondContact O-N 2.92Å; A446-K449 PolarHBondContact O-N 3.36Å; A446-E450 PolarHBondContact O-N 3.41Å; A446-E450 VanDerWaalsContact O-N 3.16Å
447R88Confident85.5Confident66 Ų6661.4 Ų61.425%0.24930%0.302CS..Hα-helixtrans-63.9-46.6175.4178.6174.6168.9-157.9-12.4112.4D265 Y268 E287 V443 K444 E445 K449 E450 I451D265-R447 IonicContact OD1-CZ 3.59Å; D265-R447 IonicContact OD1-NH1 3.03Å; D265-R447 PolarHBondContact OD1-NH1 2.98Å; Y268-R447 HydrophobicContact CD1-CB 4.33Å; Y268-R447 HydrophobicContact CD2-CB 3.94Å; Y268-R447 HydrophobicContact CD2-CG 4.16Å; Y268-R447 HydrophobicContact CE1-CB 4.18Å; Y268-R447 HydrophobicContact CE2-CB 3.8Å; Y268-R447 HydrophobicContact CE2-CG 3.66Å; Y268-R447 HydrophobicContact CG-CB 4.21Å; E287-R447 IonicContact OE1-CZ 3.12Å; E287-R447 VanDerWaalsContact OE1-CZ 3.23Å; E287-R447 IonicContact OE1-NE 3.57Å; E287-R447 IonicContact OE1-NH1 3.99Å; E287-R447 IonicContact OE1-NH2 3.75Å; E287-R447 PolarHBondContact OE1-NH2 3.27Å; E287-R447 IonicContact OE2-CZ 3.13Å; E287-R447 IonicContact OE2-NE 3.6Å; E287-R447 PolarHBondContact OE2-NE 2.89Å; E287-R447 IonicContact OE2-NH2 2.67Å; E287-R447 PolarHBondContact OE2-NH2 2.93Å; V443-R447 WeakPolarHBondContact O-CB 3.23Å; V443-R447 PolarHBondContact O-N 2.66Å; K444-R447 PolarHBondContact O-N 2.99Å; E445-R447 VanDerWaalsContact C-N 3.3Å; E445-R447 PolarHBondContact O-N 2.79Å; R447-K449 VanDerWaalsContact C-N 3.32Å; R447-K449 PolarHBondContact O-N 3.26Å; R447-E450 PolarHBondContact O-N 3.43Å; R447-I451 HydrophobicContact CG-CD1 4.11Å; R447-I451 WeakPolarHBondContact O-CG1 3.29Å; R447-I451 PolarHBondContact O-N 3.45Å; R447-I451 VanDerWaalsContact O-N 3.12Å
448L85.6Confident85.1Confident96 Ų9662.2 Ų62.250%0.50331%0.306SS..Hα-helixtrans-62.2-40.4177.6-76171.7000112K444 E445 E450 I451 K452K444-L448 HydrophobicContact CG-CD1 4.14Å; K444-L448 WeakPolarHBondContact O-CB 3.26Å; K444-L448 VanDerWaalsContact O-CG 3.29Å; K444-L448 WeakPolarHBondContact O-CG 3.4Å; K444-L448 PolarHBondContact O-N 3.22Å; E445-L448 PolarHBondContact O-N 3.49Å; L448-E450 VanDerWaalsContact C-N 3.34Å; L448-E450 PolarHBondContact O-N 3.17Å; L448-I451 PolarHBondContact O-N 3.34Å; L448-K452 WeakPolarHBondContact O-CB 3.42Å; L448-K452 PolarHBondContact O-N 3.45Å
449K84.9Confident84.3Confident84 Ų8469.9 Ų69.937%0.36534%0.342SS..Hα-helixtrans-60.5-43.2177-178.5-178.8-170.4159.70112.2E445 A446 R447 K452 Q453 D480E445-K449 VanDerWaalsContact O-CB 3.27Å; E445-K449 WeakPolarHBondContact O-CB 3.22Å; E445-K449 PolarHBondContact O-N 3.05Å; A446-K449 PolarHBondContact O-N 3.36Å; R447-K449 VanDerWaalsContact C-N 3.32Å; R447-K449 PolarHBondContact O-N 3.26Å; K449-K452 PolarHBondContact O-N 3.16Å; K449-Q453 WeakPolarHBondContact O-CG 3.4Å; K449-Q453 PolarHBondContact O-N 3.18Å; K449-D480 WeakPolarHBondContact CD-OD2 3.35Å; K449-D480 WeakPolarHBondContact CE-OD2 3.43Å; K449-D480 IonicContact NZ-OD2 2.63Å; K449-D480 PolarHBondContact NZ-OD2 3.01Å
450E83.7Confident83.6Confident28 Ų2874.1 Ų74.113%0.13136%0.355CS..Hα-helixtrans-65.6-49.6178.9-159.2161156.200110.7Y268 K271 L288 A446 R447 L448 K452 Q453 E454Y268-E450 HydrophobicContact CE1-CB 4.39Å; Y268-E450 VanDerWaalsContact CE1-OE2 3.25Å; Y268-E450 WeakPolarHBondContact CE1-OE2 3.16Å; K271-E450 IonicContact NZ-OE2 3.21Å; K271-E450 PolarHBondContact NZ-OE2 2.96Å; K271-E450 VanDerWaalsContact NZ-OE2 3.12Å; L288-E450 HydrophobicContact CD2-CG 3.95Å; A446-E450 PolarHBondContact O-N 3.41Å; A446-E450 VanDerWaalsContact O-N 3.16Å; R447-E450 PolarHBondContact O-N 3.43Å; L448-E450 VanDerWaalsContact C-N 3.34Å; L448-E450 PolarHBondContact O-N 3.17Å; E450-K452 VanDerWaalsContact C-N 3.27Å; E450-K452 PolarHBondContact O-N 2.94Å; E450-Q453 PolarHBondContact O-N 2.93Å; E450-E454 WeakPolarHBondContact O-CG 3.4Å; E450-E454 PolarHBondContact O-N 3.09Å; E450-E454 VanDerWaalsContact O-N 3.09Å
451I82.9Confident83Confident49 Ų4968 Ų6825%0.25133%0.331SS..Hα-helixtrans-57.4-42.1175.6-66.4168.4000111.4R447 L448 E454 L455R447-I451 HydrophobicContact CG-CD1 4.11Å; R447-I451 WeakPolarHBondContact O-CG1 3.29Å; R447-I451 PolarHBondContact O-N 3.45Å; R447-I451 VanDerWaalsContact O-N 3.12Å; L448-I451 PolarHBondContact O-N 3.34Å; I451-E454 WeakPolarHBondContact O-CB 3.05Å; I451-E454 PolarHBondContact O-N 2.69Å; I451-L455 HydrophobicContact CG2-CD1 4.19Å; I451-L455 HydrophobicContact CG2-CG 4.4Å; I451-L455 WeakPolarHBondContact O-CG 3.49Å; I451-L455 PolarHBondContact O-N 3.3Å
452K83.4Confident82.6Confident25 Ų2570 Ų7011%0.10934%0.338CS..Hα-helixtrans-64.3-42179.4174.2-176.8178.61650113.1L448 K449 E450 E454 L455 L456 L475 D478L448-K452 WeakPolarHBondContact O-CB 3.42Å; L448-K452 PolarHBondContact O-N 3.45Å; K449-K452 PolarHBondContact O-N 3.16Å; E450-K452 VanDerWaalsContact C-N 3.27Å; E450-K452 PolarHBondContact O-N 2.94Å; K452-E454 VanDerWaalsContact C-N 3.27Å; K452-E454 PolarHBondContact O-N 3.18Å; K452-L455 PolarHBondContact O-N 3.38Å; K452-L456 HydrophobicContact CG-CD1 4.48Å; K452-L456 WeakPolarHBondContact O-CG 3.44Å; K452-L456 PolarHBondContact O-N 3.28Å; K452-L475 WeakPolarHBondContact CE-O 3.47Å; K452-L475 HydrophobicContact CG-CD1 4Å; K452-L475 HydrophobicContact CG-CD2 4.45Å; K452-L475 HydrophobicContact CG-CG 3.95Å; K452-L475 PolarHBondContact NZ-O 2.83Å; K452-D478 VanDerWaalsContact NZ-C 3.31Å; K452-D478 PolarHBondContact NZ-O 3.46Å; K452-D478 IonicContact NZ-OD2 2.66Å; K452-D478 PolarHBondContact NZ-OD2 2.71Å
453Q82.1Confident82.2Confident102 Ų10273.9 Ų73.948%0.47736%0.361SS..Hα-helixtrans-61.5-41174.3-75.6178-11.600110.7K449 E450 L456 N457K449-Q453 WeakPolarHBondContact O-CG 3.4Å; K449-Q453 PolarHBondContact O-N 3.18Å; E450-Q453 PolarHBondContact O-N 2.93Å; Q453-L456 PolarHBondContact O-N 3.47Å; Q453-N457 WeakPolarHBondContact O-CB 3.47Å; Q453-N457 VanDerWaalsContact O-CG 3.23Å; Q453-N457 PolarHBondContact O-N 2.73Å; Q453-N457 PolarHBondContact O-ND2 3.26Å
454E81.1Confident82Confident49 Ų4978.7 Ų78.723%0.22938%0.379CS..Hα-helixtrans-64.1-40.7175-67.4-58.7153.100112.7L288 P289 S292 E450 I451 K452 L456 N457 S458L288-E454 HydrophobicContact CD2-CG 4.39Å; P289-E454 HydrophobicContact CG-CB 4.04Å; P289-E454 HydrophobicContact CG-CG 4.34Å; S292-E454 WeakPolarHBondContact CB-OE1 3.35Å; S292-E454 WeakPolarHBondContact CB-OE2 3.33Å; S292-E454 PolarHBondContact OG-OE1 2.87Å; S292-E454 PolarHBondContact OG-OE2 3.47Å; E450-E454 WeakPolarHBondContact O-CG 3.4Å; E450-E454 PolarHBondContact O-N 3.09Å; E450-E454 VanDerWaalsContact O-N 3.09Å; I451-E454 WeakPolarHBondContact O-CB 3.05Å; I451-E454 PolarHBondContact O-N 2.69Å; K452-E454 VanDerWaalsContact C-N 3.27Å; K452-E454 PolarHBondContact O-N 3.18Å; E454-L456 VanDerWaalsContact C-N 3.33Å; E454-L456 PolarHBondContact O-N 3.38Å; E454-N457 PolarHBondContact O-N 2.77Å; E454-S458 PolarHBondContact O-N 2.63Å
455L81.7Confident81.8Confident67 Ų6774 Ų7435%0.35136%0.359SS..Hα-helixtrans-61-41.5174.5-71.2171.4000112.1I451 K452 N457 S458 L461 L475I451-L455 HydrophobicContact CG2-CD1 4.19Å; I451-L455 HydrophobicContact CG2-CG 4.4Å; I451-L455 WeakPolarHBondContact O-CG 3.49Å; I451-L455 PolarHBondContact O-N 3.3Å; K452-L455 PolarHBondContact O-N 3.38Å; L455-N457 VanDerWaalsContact C-N 3.32Å; L455-N457 PolarHBondContact O-N 2.8Å; L455-S458 WeakPolarHBondContact O-CB 3.35Å; L455-S458 PolarHBondContact O-N 2.91Å; L455-L461 HydrophobicContact CB-CD1 4.4Å; L455-L461 HydrophobicContact CD2-CD1 3.38Å; L455-L461 HydrophobicContact CG-CD1 4.49Å; L455-L475 HydrophobicContact CB-CD2 4.23Å
456L80.6Confident81.6Confident61 Ų6179 Ų7932%0.31938%0.382SS..Hα-helixtrans-67.3-32.2178-75.1169.2000112.9K452 Q453 E454 L472 L475 R476K452-L456 HydrophobicContact CG-CD1 4.48Å; K452-L456 WeakPolarHBondContact O-CG 3.44Å; K452-L456 PolarHBondContact O-N 3.28Å; Q453-L456 PolarHBondContact O-N 3.47Å; E454-L456 VanDerWaalsContact C-N 3.33Å; E454-L456 PolarHBondContact O-N 3.38Å; L456-L472 HydrophobicContact CD2-CD1 3.66Å; L456-L475 HydrophobicContact CD2-CD2 3.68Å; L456-L475 HydrophobicContact CD2-CG 4.41Å; L456-L475 HydrophobicContact CG-CD2 3.71Å; L456-L475 HydrophobicContact CG-CG 4.46Å; L456-R476 HydrophobicContact CD2-CG 4.11Å
457N78.7Confident81.6Confident124 Ų12483.9 Ų83.966%0.66341%0.405SS*.Hα-helixtrans-87.9-7.4-179.3-66.2-21.2000113.1Q453 E454 L455 E459Q453-N457 WeakPolarHBondContact O-CB 3.47Å; Q453-N457 VanDerWaalsContact O-CG 3.23Å; Q453-N457 PolarHBondContact O-N 2.73Å; Q453-N457 PolarHBondContact O-ND2 3.26Å; E454-N457 PolarHBondContact O-N 2.77Å; L455-N457 VanDerWaalsContact C-N 3.32Å; L455-N457 PolarHBondContact O-N 2.8Å; N457-E459 PolarHBondContact O-N 2.75Å
458S78.4Confident81.6Confident37 Ų3783.5 Ų83.526%0.25941%0.408SS..  trans-71.8116.8-177179.30000112.2E454 L455 K460 L461 K462E454-S458 PolarHBondContact O-N 2.63Å; L455-S458 WeakPolarHBondContact O-CB 3.35Å; L455-S458 PolarHBondContact O-N 2.91Å; S458-K460 VanDerWaalsContact C-N 3.28Å; S458-K460 PolarHBondContact O-N 3.28Å; S458-L461 PolarHBondContact O-N 3.47Å; S458-K462 PolarHBondContact O-N 3.34Å
459E72.7Confident81.6Confident164 Ų16482.4 Ų82.477%0.76641%0.407SS*.Hα-helixtrans-61.9-35.3174.5-65.7-176.9162.200112.3N457 L461 K462N457-E459 PolarHBondContact O-N 2.75Å; E459-L461 VanDerWaalsContact C-N 3.28Å; E459-L461 PolarHBondContact O-N 2.68Å; E459-K462 VanDerWaalsContact O-CB 3.24Å; E459-K462 WeakPolarHBondContact O-CB 3.07Å; E459-K462 PolarHBondContact O-N 3.03Å
460K74.1Confident81.6Confident155 Ų15588 Ų8867%0.67443%0.426SS*.Hα-helixtrans-63-35.5178.8-66.5179.3-177.6171.20112.1E343 S458E343-K460 IonicContact OE2-NZ 2.66Å; E343-K460 PolarHBondContact OE2-NZ 3.25Å; E343-K460 VanDerWaalsContact OE2-NZ 3.1Å; S458-K460 VanDerWaalsContact C-N 3.28Å; S458-K460 PolarHBondContact O-N 3.28Å
461L76.8Confident81.6Confident55 Ų5589.7 Ų89.729%0.28844%0.435SS..Hα-helixtrans-88.9-7.6-178.2-66.4175.6000112.7L455 S458 E459 T463 Y464 F465L455-L461 HydrophobicContact CB-CD1 4.4Å; L455-L461 HydrophobicContact CD2-CD1 3.38Å; L455-L461 HydrophobicContact CG-CD1 4.49Å; S458-L461 PolarHBondContact O-N 3.47Å; E459-L461 VanDerWaalsContact C-N 3.28Å; E459-L461 PolarHBondContact O-N 2.68Å; L461-T463 VanDerWaalsContact C-N 3.33Å; L461-T463 PolarHBondContact O-N 3.16Å; L461-Y464 WeakPolarHBondContact O-CB 3.49Å; L461-Y464 PolarHBondContact O-N 3.17Å; L461-Y464 VanDerWaalsContact O-N 3.17Å; L461-F465 HydrophobicContact CB-CD2 4.02Å; L461-F465 HydrophobicContact CB-CE2 3.75Å; L461-F465 HydrophobicContact CD1-CE2 4.43Å; L461-F465 WeakPolarHBondContact O-CD2 3.31Å; L461-F465 PolarHBondContact O-N 3.22Å
462K79.8Confident81.6Confident132 Ų13289.1 Ų89.157%0.57443%0.433SS*.Hα-helixtrans-58.3-46.6-180-165.7178.6176.9-175.20111.4S458 E459 Y464 F465 E466S458-K462 PolarHBondContact O-N 3.34Å; E459-K462 VanDerWaalsContact O-CB 3.24Å; E459-K462 WeakPolarHBondContact O-CB 3.07Å; E459-K462 PolarHBondContact O-N 3.03Å; K462-Y464 PolarHBondContact O-N 3.21Å; K462-F465 PolarHBondContact O-N 3.05Å; K462-E466 WeakPolarHBondContact O-CG 3.42Å; K462-E466 PolarHBondContact O-N 3.3Å
463T80.2Confident81.4Confident84 Ų8493.4 Ų93.452%0.51545%0.453SS..Hα-helixtrans-63.8-40176.9-35.90000111.8L461 F465 E466 D467L461-T463 VanDerWaalsContact C-N 3.33Å; L461-T463 PolarHBondContact O-N 3.16Å; T463-F465 VanDerWaalsContact C-N 3.33Å; T463-F465 PolarHBondContact O-N 3.26Å; T463-E466 WeakPolarHBondContact O-CB 3.4Å; T463-E466 PolarHBondContact O-N 2.67Å; T463-D467 PolarHBondContact O-N 2.91Å
464Y84.6Confident81.5Confident109 Ų10994.4 Ų94.443%0.42746%0.461SS..Hα-helixtrans-61.5-40.7175173.8-95.4000112.3L461 K462 D467 N468 D471L461-Y464 WeakPolarHBondContact O-CB 3.49Å; L461-Y464 PolarHBondContact O-N 3.17Å; L461-Y464 VanDerWaalsContact O-N 3.17Å; K462-Y464 PolarHBondContact O-N 3.21Å; Y464-D467 PolarHBondContact O-N 2.87Å; Y464-N468 HydrophobicContact CE1-CB 4.34Å; Y464-N468 WeakPolarHBondContact CE2-ND2 3.42Å; Y464-N468 WeakPolarHBondContact O-CB 3.28Å; Y464-N468 PolarHBondContact O-N 2.74Å; Y464-N468 PolarHBondContact O-ND2 3.21Å; Y464-D471 PolarHBondContact OH-OD2 3.44Å
465F84.8Confident81.5Confident26 Ų2693.8 Ų93.811%0.11446%0.459CS..Hα-helixtrans-75.6-24.9177.7-71.7-53.3000113.6L461 K462 T463 N468 L472 L475L461-F465 HydrophobicContact CB-CD2 4.02Å; L461-F465 HydrophobicContact CB-CE2 3.75Å; L461-F465 HydrophobicContact CD1-CE2 4.43Å; L461-F465 WeakPolarHBondContact O-CD2 3.31Å; L461-F465 PolarHBondContact O-N 3.22Å; K462-F465 PolarHBondContact O-N 3.05Å; T463-F465 VanDerWaalsContact C-N 3.33Å; T463-F465 PolarHBondContact O-N 3.26Å; F465-N468 CarbonylContact O-C 3.52Å; F465-N468 VanDerWaalsContact O-C 3.3Å; F465-L472 HydrophobicContact CB-CB 4.07Å; F465-L472 HydrophobicContact CB-CD1 4.09Å; F465-L472 HydrophobicContact CB-CD2 4.28Å; F465-L472 HydrophobicContact CB-CG 4.36Å; F465-L472 HydrophobicContact CD1-CB 3.77Å; F465-L472 HydrophobicContact CD1-CD1 4.07Å; F465-L472 HydrophobicContact CD2-CD1 4.1Å; F465-L472 HydrophobicContact CG-CB 4.12Å; F465-L472 HydrophobicContact CG-CD1 3.84Å; F465-L472 HydrophobicContact CG-CG 4.46Å; F465-L475 HydrophobicContact CE1-CD2 4.45Å; F465-L475 HydrophobicContact CZ-CD2 3.91Å
466E83.7Confident81.4Confident123 Ų12398.6 Ų98.658%0.57547%0.473SS*.Hα-helixtrans-64.6-43167.8-74166.6-175.300110.4K462 T463K462-E466 WeakPolarHBondContact O-CG 3.42Å; K462-E466 PolarHBondContact O-N 3.3Å; T463-E466 WeakPolarHBondContact O-CB 3.4Å; T463-E466 PolarHBondContact O-N 2.67Å
467D86Confident81.4Confident125 Ų125102.3 Ų102.367%0.66849%0.488SS*.Hα-helixtrans-74.5-26.4175.9-67.1-26000113.2T463 Y464 P469T463-D467 PolarHBondContact O-N 2.91Å; Y464-D467 PolarHBondContact O-N 2.87Å; D467-P469 VanDerWaalsContact C-CD 3.48Å; D467-P469 WeakPolarHBondContact O-CD 3.36Å
468N87.1Confident81.2Confident59 Ų59100.8 Ų100.832%0.31648%0.48SS..  trans-124.669.1-177.1-59.3-84.6000112Y464 F465 R470 D471 L472Y464-N468 HydrophobicContact CE1-CB 4.34Å; Y464-N468 WeakPolarHBondContact CE2-ND2 3.42Å; Y464-N468 WeakPolarHBondContact O-CB 3.28Å; Y464-N468 PolarHBondContact O-N 2.74Å; Y464-N468 PolarHBondContact O-ND2 3.21Å; F465-N468 CarbonylContact O-C 3.52Å; F465-N468 VanDerWaalsContact O-C 3.3Å; N468-R470 PolarHBondContact O-N 3.15Å; N468-D471 HydrophobicContact CB-CB 4.29Å; N468-D471 PolarHBondContact O-N 3.22Å; N468-D471 VanDerWaalsContact O-N 3.16Å; N468-L472 PolarHBondContact O-N 3.28Å
469P85.7Confident81Confident73 Ų73107 Ų10747%0.47450%0.503SS..Hα-helixtrans-66-24.7-174.525-34.7000113.5D467 Q473D467-P469 VanDerWaalsContact C-CD 3.48Å; D467-P469 WeakPolarHBondContact O-CD 3.36Å; P469-Q473 WeakPolarHBondContact O-CG 3.41Å; P469-Q473 PolarHBondContact O-N 3.14Å; P469-Q473 VanDerWaalsContact O-N 3.11Å
470R85.1Confident80.9Confident201 Ų201102.1 Ų102.176%0.75848%0.481SS*.Hα-helixtrans-66.3-40.6175.8-69.2-176.9179.9174.80.9111.8N468 Q473 L474N468-R470 PolarHBondContact O-N 3.15Å; R470-Q473 PolarHBondContact O-N 3.17Å; R470-L474 WeakPolarHBondContact O-CG 3.27Å; R470-L474 PolarHBondContact O-N 3.16Å
471D83.3Confident80.5Confident63 Ų63100.7 Ų100.734%0.33748%0.48SS..Hα-helixtrans-70-37.5-178.9-64-15.1000110.8Y464 N468 Q473 L474 L475Y464-D471 PolarHBondContact OH-OD2 3.44Å; N468-D471 HydrophobicContact CB-CB 4.29Å; N468-D471 PolarHBondContact O-N 3.22Å; N468-D471 VanDerWaalsContact O-N 3.16Å; D471-Q473 VanDerWaalsContact C-N 3.35Å; D471-Q473 PolarHBondContact O-N 2.65Å; D471-L474 PolarHBondContact O-N 2.86Å; D471-L475 WeakPolarHBondContact O-CB 3.39Å; D471-L475 PolarHBondContact O-N 3.06Å
472L83Confident80.1Confident37 Ų37102.8 Ų102.819%0.19449%0.488CS..Hα-helixtrans-61.6-42171.7-175.966.2000112L456 F465 N468 L475 R476L456-L472 HydrophobicContact CD2-CD1 3.66Å; F465-L472 HydrophobicContact CB-CB 4.07Å; F465-L472 HydrophobicContact CB-CD1 4.09Å; F465-L472 HydrophobicContact CB-CD2 4.28Å; F465-L472 HydrophobicContact CB-CG 4.36Å; F465-L472 HydrophobicContact CD1-CB 3.77Å; F465-L472 HydrophobicContact CD1-CD1 4.07Å; F465-L472 HydrophobicContact CD2-CD1 4.1Å; F465-L472 HydrophobicContact CG-CB 4.12Å; F465-L472 HydrophobicContact CG-CD1 3.84Å; F465-L472 HydrophobicContact CG-CG 4.46Å; N468-L472 PolarHBondContact O-N 3.28Å; L472-L475 PolarHBondContact O-N 3.15Å; L472-R476 WeakPolarHBondContact O-CB 3.37Å; L472-R476 WeakPolarHBondContact O-CG 3.13Å; L472-R476 PolarHBondContact O-N 3.38Å
473Q81.1Confident79.7Confident116 Ų116100.1 Ų100.154%0.54248%0.484SS..Hα-helixtrans-65.7-45.9176.6-76.7177.80.100111.5P469 R470 D471 L475 R476 H477P469-Q473 WeakPolarHBondContact O-CG 3.41Å; P469-Q473 PolarHBondContact O-N 3.14Å; P469-Q473 VanDerWaalsContact O-N 3.11Å; R470-Q473 PolarHBondContact O-N 3.17Å; D471-Q473 VanDerWaalsContact C-N 3.35Å; D471-Q473 PolarHBondContact O-N 2.65Å; Q473-L475 VanDerWaalsContact C-N 3.29Å; Q473-L475 PolarHBondContact O-N 3.12Å; Q473-R476 PolarHBondContact O-N 3.43Å; Q473-H477 WeakPolarHBondContact O-CB 3.22Å; Q473-H477 PolarHBondContact O-CD2 2.73Å; Q473-H477 PolarHBondContact O-N 2.81Å
474L82.3Confident79.2Confident123 Ų12397.2 Ų97.264%0.64447%0.469SS*.Hα-helixtrans-57.4-45.3175.5-73.4171.8000111.1R470 D471 H477 D478R470-L474 WeakPolarHBondContact O-CG 3.27Å; R470-L474 PolarHBondContact O-N 3.16Å; D471-L474 PolarHBondContact O-N 2.86Å; L474-H477 PolarHBondContact O-N 3.4Å; L474-D478 WeakPolarHBondContact O-CB 3.45Å; L474-D478 PolarHBondContact O-N 3.04Å
475L81.2Confident78.8Confident36 Ų3697 Ų9719%0.18848%0.479CS..Hα-helixtrans-60.8-50175.9-158.374.5000110.3K452 L455 L456 F465 D471 L472 Q473 H477 D478K452-L475 WeakPolarHBondContact CE-O 3.47Å; K452-L475 HydrophobicContact CG-CD1 4Å; K452-L475 HydrophobicContact CG-CD2 4.45Å; K452-L475 HydrophobicContact CG-CG 3.95Å; K452-L475 PolarHBondContact NZ-O 2.83Å; L455-L475 HydrophobicContact CB-CD2 4.23Å; L456-L475 HydrophobicContact CD2-CD2 3.68Å; L456-L475 HydrophobicContact CD2-CG 4.41Å; L456-L475 HydrophobicContact CG-CD2 3.71Å; L456-L475 HydrophobicContact CG-CG 4.46Å; F465-L475 HydrophobicContact CE1-CD2 4.45Å; F465-L475 HydrophobicContact CZ-CD2 3.91Å; D471-L475 WeakPolarHBondContact O-CB 3.39Å; D471-L475 PolarHBondContact O-N 3.06Å; L472-L475 PolarHBondContact O-N 3.15Å; Q473-L475 VanDerWaalsContact C-N 3.29Å; Q473-L475 PolarHBondContact O-N 3.12Å; L475-H477 VanDerWaalsContact C-N 3.31Å; L475-H477 PolarHBondContact O-N 2.83Å; L475-D478 PolarHBondContact O-N 2.86Å
476R81.3Confident78.4Confident167 Ų167100.3 Ų100.363%0.6350%0.497SS*.Hα-helixtrans-63.3-32-179.5-75.2178.2176.3-173.90.2114.4L456 L472 Q473L456-R476 HydrophobicContact CD2-CG 4.11Å; L472-R476 WeakPolarHBondContact O-CB 3.37Å; L472-R476 WeakPolarHBondContact O-CG 3.13Å; L472-R476 PolarHBondContact O-N 3.38Å; Q473-R476 PolarHBondContact O-N 3.43Å
477H78.6Confident78.1Confident140 Ų14097 Ų9765%0.64848%0.48SS*.Hα-helixtrans-91.8-11.6-175.8-72.8-62.1000114.6Q473 L474 L475 K479Q473-H477 WeakPolarHBondContact O-CB 3.22Å; Q473-H477 PolarHBondContact O-CD2 2.73Å; Q473-H477 PolarHBondContact O-N 2.81Å; L474-H477 PolarHBondContact O-N 3.4Å; L475-H477 VanDerWaalsContact C-N 3.31Å; L475-H477 PolarHBondContact O-N 2.83Å; H477-K479 PolarHBondContact O-N 3.28Å
478D75.8Confident77.6Confident92 Ų9296.4 Ų96.449%0.49248%0.483SS..  trans-65.1121.1171.6167.958.7000109.7K452 L474 L475K452-D478 VanDerWaalsContact NZ-C 3.31Å; K452-D478 PolarHBondContact NZ-O 3.46Å; K452-D478 IonicContact NZ-OD2 2.66Å; K452-D478 PolarHBondContact NZ-OD2 2.71Å; L474-D478 WeakPolarHBondContact O-CB 3.45Å; L474-D478 PolarHBondContact O-N 3.04Å; L475-D478 PolarHBondContact O-N 2.86Å
479K73.2Confident77.1Confident168 Ų16899.7 Ų99.773%0.7350%0.497SS*.  trans-114.2145.5-175-70.9-179.2-177.3178.80109.1H477 I481H477-K479 PolarHBondContact O-N 3.28Å; K479-I481 WeakPolarHBondContact O-CG1 3.44Å; K479-I481 PolarHBondContact O-N 3.4Å; K479-I481 VanDerWaalsContact O-N 3.14Å
480D70.8Confident76.8Confident60 Ų6096.4 Ų96.432%0.32148%0.475SS..  trans-54.4119173.2-52.3-17.3000109.4K449 P483K449-D480 WeakPolarHBondContact CD-OD2 3.35Å; K449-D480 WeakPolarHBondContact CE-OD2 3.43Å; K449-D480 IonicContact NZ-OD2 2.63Å; K449-D480 PolarHBondContact NZ-OD2 3.01Å; D480-P483 HydrophobicContact CB-CB 4.21Å
481I67.1Low76.5Confident126 Ų12692.6 Ų92.665%0.64646%0.464SS*.SBendtrans-84.5-32.7-174.4-55.9177.9000110.3E445 K479E445-I481 PolarHBondContact OE2-N 2.83Å; K479-I481 WeakPolarHBondContact O-CG1 3.44Å; K479-I481 PolarHBondContact O-N 3.4Å; K479-I481 VanDerWaalsContact O-N 3.14Å
482H66.9Low76.4Confident98 Ų9895.2 Ų95.245%0.45448%0.478SS..SBendtrans-136.662.1-178.2-55.1-63.9000111.7Q441 E445Q441-H482 HydrophobicContact CG-CB 3.91Å; Q441-H482 WeakPolarHBondContact CG-CD2 3.02Å; E445-H482 VanDerWaalsContact OE1-CB 3.28Å; E445-H482 WeakPolarHBondContact OE1-CB 3.49Å; E445-H482 IonicContact OE1-CD2 3.41Å; E445-H482 PolarHBondContact OE1-CD2 2.88Å; E445-H482 IonicContact OE1-CG 2.78Å; E445-H482 PolarHBondContact OE1-N 2.9Å; E445-H482 WeakPolarHBondContact OE2-CA 3.43Å; E445-H482 PolarHBondContact OE2-N 2.93Å
483P71.2Confident76.3Confident76 Ų7694.7 Ų94.749%0.49448%0.475SS..  trans-60144.9175.926.9-34.7000110.9D480 V485D480-P483 HydrophobicContact CB-CB 4.21Å; P483-V485 PolarHBondContact O-N 3.33Å; P483-V485 VanDerWaalsContact O-N 3.14Å
484A71.4Confident76.3Confident24 Ų2491.2 Ų91.220%0.19846%0.462CS..  trans-59.7119.6175.800000110.1L272 A442 I486L272-A484 HydrophobicContact CD1-CB 4.33Å; L272-A484 HydrophobicContact CD2-CB 3.9Å; A442-A484 HydrophobicContact CB-CB 4.21Å; A484-I486 PolarHBondContact O-N 3.34Å
485V74.3Confident76.1Confident104 Ų10490.1 Ų90.163%0.6346%0.457SS*.  trans-75.2110.8179.7179.70000108.7Q276 P483Q276-V485 PolarHBondContact NE2-O 2.81Å; Q276-V485 PolarHBondContact OE1-O 2.93Å; P483-V485 PolarHBondContact O-N 3.33Å; P483-V485 VanDerWaalsContact O-N 3.14Å
486I77.3Confident75.9Confident95 Ų9595.9 Ų95.949%0.48748%0.477SS..  trans-83.2120.3175.5-58.9175.2000109.2A484 P488A484-I486 PolarHBondContact O-N 3.34Å; I486-P488 WeakPolarHBondContact O-CD 3.44Å
487K76.5Confident75.8Confident54 Ų5488.7 Ų88.724%0.23545%0.451CS..  trans-85.4114.2178.7-68-177.8-171.8-174.30110.7D433 H489 M490D433-K487 IonicContact OD1-NZ 3.37Å; D433-K487 PolarHBondContact OD1-NZ 3.19Å; D433-K487 VanDerWaalsContact OD2-CD 3.3Å; D433-K487 WeakPolarHBondContact OD2-CD 3.46Å; D433-K487 IonicContact OD2-NZ 2.61Å; D433-K487 PolarHBondContact OD2-NZ 3.23Å; K487-H489 VanDerWaalsContact C-N 3.28Å; K487-H489 PolarHBondContact O-N 3.39Å; K487-H489 VanDerWaalsContact O-N 3.16Å; K487-M490 HydrophobicContact CB-CB 4.27Å; K487-M490 HydrophobicContact CB-CG 3.66Å; K487-M490 HydrophobicContact CD-CG 4.4Å; K487-M490 WeakPolarHBondContact O-CB 3.35Å; K487-M490 PolarHBondContact O-N 3.4Å
488P76.3Confident75.9Confident112 Ų11282.2 Ų82.273%0.72742%0.422SS*.G310 helixtrans-61.1-33.5-172.6-24.934.2000114.3I486 M490 K491I486-P488 WeakPolarHBondContact O-CD 3.44Å; P488-M490 PolarHBondContact O-N 3.03Å; P488-K491 WeakPolarHBondContact O-CB 3.3Å; P488-K491 PolarHBondContact O-N 3.42Å
489H77Confident76Confident129 Ų12978.5 Ų78.560%0.59740%0.403SS*.G310 helixtrans-69.8-16.7179.862.4-90000113.2K487 K491K487-H489 VanDerWaalsContact C-N 3.28Å; K487-H489 PolarHBondContact O-N 3.39Å; K487-H489 VanDerWaalsContact O-N 3.16Å; H489-K491 PolarHBondContact O-N 2.94Å
490M79.3Confident76.1Confident4 Ų478 Ų782%0.0240%0.403CS..G310 helixtrans-77.5-10.5179.3-66.7-68.8-87.300112.9Q276 F277 R430 D433 A434 K487 P488Q276-M490 WeakPolarHBondContact O-CB 3.35Å; F277-M490 HydrophobicContact CD1-CB 4.47Å; F277-M490 HydrophobicContact CD1-CE 4.43Å; F277-M490 HydrophobicContact CE1-CE 3.48Å; F277-M490 VanDerWaalsContact CE1-CE 3.48Å; F277-M490 HydrophobicContact CE1-SD 4.49Å; F277-M490 HydrophobicContact CZ-CE 3.84Å; R430-M490 HydrophobicContact CB-CE 3.87Å; R430-M490 HydrophobicContact CB-SD 4.36Å; R430-M490 HydrophobicContact CG-SD 4.41Å; R430-M490 PolarHBondContact NH2-O 2.9Å; R430-M490 WeakPolarHBondContact O-CE 3.29Å; D433-M490 HydrophobicContact CB-CE 4.33Å; A434-M490 HydrophobicContact CB-CE 4.02Å; K487-M490 HydrophobicContact CB-CB 4.27Å; K487-M490 HydrophobicContact CB-CG 3.66Å; K487-M490 HydrophobicContact CD-CG 4.4Å; K487-M490 WeakPolarHBondContact O-CB 3.35Å; K487-M490 PolarHBondContact O-N 3.4Å; P488-M490 PolarHBondContact O-N 3.03Å
491K79.6Confident76.2Confident120 Ų12079.8 Ų79.852%0.52242%0.416SS..G310 helixtrans-66-41.9177.4-179.5169.3-178.3178.10113.7K249 A278 P488 H489K249-K491 WeakPolarHBondContact CE-O 3.29Å; K249-K491 PolarHBondContact NZ-O 3.39Å; A278-K491 HydrophobicContact CB-CB 4.4Å; A278-K491 HydrophobicContact CB-CD 4.07Å; A278-K491 HydrophobicContact CB-CG 3.77Å; P488-K491 WeakPolarHBondContact O-CB 3.3Å; P488-K491 PolarHBondContact O-N 3.42Å; H489-K491 PolarHBondContact O-N 2.94Å
492N81.3Confident76.4Confident119 Ų11975.3 Ų75.364%0.63639%0.393SS*.SBendtrans-97141.2-173.4-66.5-18.9000110.6R430R430-N492 PolarHBondContact NH1-O 3.28Å; R430-N492 PolarHBondContact NH2-O 3.41Å
493I80.6Confident76.6Confident26 Ų2675.4 Ų75.413%0.13339%0.39CS..PPolyproline II helixtrans-89.9123.6169.9-59.6168.4000109.1K249 L250 F427 L497 I498K249-I493 HydrophobicContact CB-CD1 4.12Å; K249-I493 HydrophobicContact CD-CD1 4.38Å; K249-I493 HydrophobicContact CG-CD1 3.25Å; K249-I493 HydrophobicContact CG-CG1 3.88Å; L250-I493 HydrophobicContact CD2-CD1 3.95Å; F427-I493 HydrophobicContact CE1-CD1 4.01Å; F427-I493 HydrophobicContact CE1-CG1 4.14Å; F427-I493 HydrophobicContact CE1-CG2 3.56Å; F427-I493 HydrophobicContact CZ-CG2 3.89Å; I493-L497 HydrophobicContact CG2-CB 4.06Å; I493-I498 HydrophobicContact CB-CG1 4.5Å; I493-I498 HydrophobicContact CG2-CD1 4.27Å; I493-I498 HydrophobicContact CG2-CG1 3.69Å
494P80.7Confident76.1Confident42 Ų4274.4 Ų74.427%0.27339%0.394SS..PPolyproline II helixtrans-61.2136168.5-21.431.8000112.3Y496 L497P494-Y496 HydrophobicContact CB-CD1 3.53Å; P494-Y496 HydrophobicContact CB-CE1 3.11Å; P494-Y496 HydrophobicContact CB-CE2 4.46Å; P494-Y496 HydrophobicContact CB-CG 4.35Å; P494-Y496 HydrophobicContact CG-CE1 3.89Å; P494-Y496 PolarHBondContact O-N 3.18Å; P494-L497 HydrophobicContact CG-CD1 4.29Å; P494-L497 PolarHBondContact O-N 3.13Å
495D77.1Confident75.8Confident101 Ų10176.7 Ų76.754%0.5441%0.405SS..THydrogen-bonded Turntrans-57-27.6-175.1-67.8-40.2000114.2L497 I498 N507D495-L497 VanDerWaalsContact C-N 3.29Å; D495-L497 PolarHBondContact O-N 3.03Å; D495-I498 PolarHBondContact O-N 2.84Å; D495-N507 PolarHBondContact OD1-ND2 3.43Å
496Y78.5Confident75.2Confident156 Ų15672.9 Ų72.961%0.61238%0.382SS*.THydrogen-bonded Turntrans-72.7-20.5178.967.7-98.3000113.5Y429 P494Y429-Y496 PolarHBondContact OH-OH 2.85Å; P494-Y496 HydrophobicContact CB-CD1 3.53Å; P494-Y496 HydrophobicContact CB-CE1 3.11Å; P494-Y496 HydrophobicContact CB-CE2 4.46Å; P494-Y496 HydrophobicContact CB-CG 4.35Å; P494-Y496 HydrophobicContact CG-CE1 3.89Å; P494-Y496 PolarHBondContact O-N 3.18Å
497L79.6Confident74.4Confident16 Ų1671.3 Ų71.38%0.08437%0.374CS..THydrogen-bonded Turntrans-83.4-21.8176.1-68.4-175.7000112.4G426 F427 Y429 I493 P494 D495 P499G426-L497 VanDerWaalsContact O-CD2 3.28Å; G426-L497 WeakPolarHBondContact O-CD2 3.38Å; F427-L497 HydrophobicContact CD1-CD1 4.32Å; F427-L497 HydrophobicContact CE1-CB 4.02Å; F427-L497 HydrophobicContact CE1-CD1 4.41Å; F427-L497 HydrophobicContact CE2-CB 4.09Å; F427-L497 WeakPolarHBondContact CE2-O 3.33Å; F427-L497 HydrophobicContact CZ-CB 3.77Å; F427-L497 WeakPolarHBondContact CZ-O 3.45Å; Y429-L497 HydrophobicContact CE1-CD1 3.96Å; Y429-L497 HydrophobicContact CE1-CD2 4.23Å; I493-L497 HydrophobicContact CG2-CB 4.06Å; P494-L497 HydrophobicContact CG-CD1 4.29Å; P494-L497 PolarHBondContact O-N 3.13Å; D495-L497 VanDerWaalsContact C-N 3.29Å; D495-L497 PolarHBondContact O-N 3.03Å; L497-P499 WeakPolarHBondContact O-CD 3.46Å
498I79.1Confident73.2Confident5 Ų573.5 Ų73.53%0.02639%0.394CS..SBendtrans-73.7122.4-178.7-55.5173000108.2I493 D495 L502 R503 V506I493-I498 HydrophobicContact CB-CG1 4.5Å; I493-I498 HydrophobicContact CG2-CD1 4.27Å; I493-I498 HydrophobicContact CG2-CG1 3.69Å; D495-I498 PolarHBondContact O-N 2.84Å; I498-L502 HydrophobicContact CG2-CB 4.29Å; I498-R503 HydrophobicContact CB-CG 4.11Å; I498-R503 HydrophobicContact CG2-CB 4.47Å; I498-R503 HydrophobicContact CG2-CG 3.81Å; I498-R503 PolarHBondContact O-NE 3.04Å; I498-V506 HydrophobicContact CD1-CB 4.37Å; I498-V506 HydrophobicContact CD1-CG1 3.85Å; I498-V506 HydrophobicContact CG2-CB 4.25Å; I498-V506 HydrophobicContact CG2-CG2 4.22Å
499P79.1Confident71.7Confident14 Ų1475.3 Ų75.39%0.09140%0.397CS..  trans-53.1142175.5-2735.8000111E423 L497 T501 L502 R503E423-P499 HydrophobicContact CB-CB 4.29Å; E423-P499 HydrophobicContact CB-CG 4.05Å; L497-P499 WeakPolarHBondContact O-CD 3.46Å; P499-T501 PolarHBondContact O-N 2.74Å; P499-T501 VanDerWaalsContact O-N 3.15Å; P499-L502 HydrophobicContact CB-CB 4.46Å; P499-L502 HydrophobicContact CB-CD1 4.39Å; P499-L502 HydrophobicContact CB-CG 4.41Å; P499-L502 HydrophobicContact CG-CD1 4.15Å; P499-L502 PolarHBondContact O-N 2.61Å; P499-R503 PolarHBondContact O-N 2.99Å; P499-R503 VanDerWaalsContact O-N 3.17Å
500E73.9Confident70.3Confident157 Ų15772.7 Ų72.773%0.73439%0.393SS*.THydrogen-bonded Turntrans-59.1-32.6-175.3-60.1-162.4146.500112.4L502 R503E500-L502 VanDerWaalsContact C-N 3.28Å; E500-L502 PolarHBondContact O-N 3.35Å; E500-R503 IonicContact OE1-NH1 2.76Å
501T73.3Confident68.5Low97 Ų9775.6 Ų75.660%0.59542%0.424SS*.THydrogen-bonded Turntrans-61.7-29.8173.848.60000113.4E423 P499E423-T501 PolarHBondContact OE2-OG1 2.79Å; P499-T501 PolarHBondContact O-N 2.74Å; P499-T501 VanDerWaalsContact O-N 3.15Å
502L71.8Confident66.6Low33 Ų3379.9 Ų79.917%0.17344%0.437CS..THydrogen-bonded Turntrans-107.4-6.3-172.4-62.8178.8000114L250 L252 I498 P499 E500 G504 V505 V506L250-L502 HydrophobicContact CD1-CD1 3.91Å; L252-L502 HydrophobicContact CD1-CD1 4.34Å; L252-L502 HydrophobicContact CD2-CD1 4.03Å; L252-L502 HydrophobicContact CD2-CD2 3.78Å; I498-L502 HydrophobicContact CG2-CB 4.29Å; P499-L502 HydrophobicContact CB-CB 4.46Å; P499-L502 HydrophobicContact CB-CD1 4.39Å; P499-L502 HydrophobicContact CB-CG 4.41Å; P499-L502 HydrophobicContact CG-CD1 4.15Å; P499-L502 PolarHBondContact O-N 2.61Å; E500-L502 VanDerWaalsContact C-N 3.28Å; E500-L502 PolarHBondContact O-N 3.35Å; L502-G504 PolarHBondContact O-N 3.44Å; L502-V505 PolarHBondContact O-N 2.89Å; L502-V506 HydrophobicContact CB-CG2 4.33Å; L502-V506 WeakPolarHBondContact O-CG2 3.46Å; L502-V506 PolarHBondContact O-N 3.12Å
503R70.1Confident64.7Low99 Ų9983.8 Ų83.837%0.37445%0.448SS..Hα-helixtrans-56.7-34-179.9-76.5-177.2-176.7160.85.9113.6I498 P499 E500 N507I498-R503 HydrophobicContact CB-CG 4.11Å; I498-R503 HydrophobicContact CG2-CB 4.47Å; I498-R503 HydrophobicContact CG2-CG 3.81Å; I498-R503 PolarHBondContact O-NE 3.04Å; P499-R503 PolarHBondContact O-N 2.99Å; P499-R503 VanDerWaalsContact O-N 3.17Å; E500-R503 IonicContact OE1-NH1 2.76Å; R503-N507 PolarHBondContact O-N 3.04Å
504G61Low62.6Low56 Ų5693.8 Ų93.858%0.57748%0.484SS*.Hα-helixtrans-73.5-26.3177.700000114.5L502L502-G504 PolarHBondContact O-N 3.44Å
505V65.4Low60.5Low71 Ų71100.7 Ų100.743%0.4351%0.51SS..Hα-helixtrans-85.8-44.6-179.6-1790000110.5L502L502-V505 PolarHBondContact O-N 2.89Å
506V62.1Low58.4Low25 Ų25106.9 Ų106.915%0.15253%0.525CS..Hα-helixtrans-78.5-29.8-173.7-178.80000112.6L250 I498 L502L250-V506 HydrophobicContact CB-CG2 4.01Å; L250-V506 HydrophobicContact CD2-CG1 4.37Å; L250-V506 HydrophobicContact CD2-CG2 3.81Å; I498-V506 HydrophobicContact CD1-CB 4.37Å; I498-V506 HydrophobicContact CD1-CG1 3.85Å; I498-V506 HydrophobicContact CG2-CB 4.25Å; I498-V506 HydrophobicContact CG2-CG2 4.22Å; L502-V506 HydrophobicContact CB-CG2 4.33Å; L502-V506 WeakPolarHBondContact O-CG2 3.46Å; L502-V506 PolarHBondContact O-N 3.12Å
507N60.8Low56.1Low61 Ų61110.7 Ų110.733%0.32654%0.539SS..  trans-131.478.9177.5-91.8-28.4000111.1D495 R503 L509 S510D495-N507 PolarHBondContact OD1-ND2 3.43Å; R503-N507 PolarHBondContact O-N 3.04Å; N507-L509 PolarHBondContact O-N 3.16Å; N507-S510 WeakPolarHBondContact CB-OG 3.35Å; N507-S510 PolarHBondContact O-N 2.93Å; N507-S510 VanDerWaalsContact O-N 3.08Å; N507-S510 PolarHBondContact O-OG 3.21Å; N507-S510 VanDerWaalsContact O-OG 3.12Å
508P50.9Low54.1Low100 Ų100117.3 Ų117.365%0.64957%0.573SS**THydrogen-bonded Turntrans-57.8-24.9179.7-21.230.6000113.2
509L45.6Very low51.9Low151 Ų151125.7 Ų125.779%0.79161%0.609SS**THydrogen-bonded Turntrans-86.2-18.1-177.8-67.6167.4000114.2N507N507-L509 PolarHBondContact O-N 3.16Å
510S47.3Very low49.8Very low74 Ų74130.7 Ų130.752%0.51764%0.642SS.*THydrogen-bonded Turntrans-82.1-22.4179.975.30000112.7N507 R512N507-S510 WeakPolarHBondContact CB-OG 3.35Å; N507-S510 PolarHBondContact O-N 2.93Å; N507-S510 VanDerWaalsContact O-N 3.08Å; N507-S510 PolarHBondContact O-OG 3.21Å; N507-S510 VanDerWaalsContact O-OG 3.12Å; S510-R512 VanDerWaalsContact C-N 3.31Å; S510-R512 PolarHBondContact O-N 3.49Å
511G40.9Very low48Very low64 Ų64127.6 Ų127.666%0.6664%0.643SS**SBendtrans-73-14.4178.300000115K513G511-K513 PolarHBondContact O-N 2.85Å
512R39.6Very low46.2Very low211 Ų211128.9 Ų128.980%0.79665%0.653SS**  trans-76.879168.1-82.4-178.3174171.2-0.9109S510 R514S510-R512 VanDerWaalsContact C-N 3.31Å; S510-R512 PolarHBondContact O-N 3.49Å; R512-R514 VanDerWaalsContact C-N 3.26Å; R512-R514 PolarHBondContact O-N 3.02Å
513K40.6Very low44.5Very low200 Ų200136.7 Ų136.787%0.8769%0.688SS**  trans-51.7104.4148.5-84.7-176.3180173.30105.4G511 K515G511-K513 PolarHBondContact O-N 2.85Å; K513-K515 VanDerWaalsContact C-N 3.28Å; K513-K515 PolarHBondContact O-N 3.16Å
514R36.2Very low43.2Very low236 Ų236135.4 Ų135.489%0.89171%0.706SS**  trans-49.2101166.1-87.8176.2160.7167.3-5.5105.7R512 R516R512-R514 VanDerWaalsContact C-N 3.26Å; R512-R514 PolarHBondContact O-N 3.02Å; R514-R516 PolarHBondContact O-N 2.9Å
515K36.8Very low41.9Very low188 Ų188139.9 Ų139.982%0.81772%0.721SS**  trans-56102.6156.9-91-176.3175.4178.40103.3K513 W517K513-K515 VanDerWaalsContact C-N 3.28Å; K513-K515 PolarHBondContact O-N 3.16Å; K515-W517 VanDerWaalsContact C-N 3.31Å; K515-W517 PolarHBondContact O-N 3.36Å
516R32.8Very low40.5Very low230 Ų230143.1 Ų143.187%0.86874%0.741SS**  trans-56.5104.7169.5-96.9178161.5176.3-5.6105R514 I518R514-R516 PolarHBondContact O-N 2.9Å; R516-I518 VanDerWaalsContact C-N 3.29Å; R516-I518 PolarHBondContact O-N 3.03Å
517W31.5Very low39.1Very low236 Ų236151.7 Ų151.789%0.89478%0.776SS**  trans-64.1100.8161.9-78.868.9000105.6K515 K519K515-W517 VanDerWaalsContact C-N 3.31Å; K515-W517 PolarHBondContact O-N 3.36Å; W517-K519 VanDerWaalsContact C-N 3.33Å; W517-K519 PolarHBondContact O-N 3.39Å
518I36.3Very low37.6Very low156 Ų156154.4 Ų154.480%0.880%0.8SS**  trans-70.498.4168.4-61.3170.7000104.7R516R516-I518 VanDerWaalsContact C-N 3.29Å; R516-I518 PolarHBondContact O-N 3.03Å
519K34.7Very low36.7Very low181 Ų181154.7 Ų154.779%0.78781%0.805SS**PPolyproline II helixtrans-67.7133.5164.3-72.9-174.1174.2-174.80107.4W517 A521W517-K519 VanDerWaalsContact C-N 3.33Å; W517-K519 PolarHBondContact O-N 3.39Å; K519-A521 PolarHBondContact O-N 3.42Å
520P34.1Very low36Very low119 Ų119157.4 Ų157.477%0.77381%0.81SS**PPolyproline II helixtrans-62.1137.3169.126.7-29.9000108.4
521A35.2Very low35.3Very low92 Ų92163.3 Ų163.376%0.7683%0.827SS**PPolyproline II helixtrans-63.9135.1-175.300000110.8K519K519-A521 PolarHBondContact O-N 3.42Å
522P35.7Very low35Very low123 Ų123169.9 Ų169.980%0.79984%0.837SS**PPolyproline II helixtrans-75.1131.9158.323.3-14.5000108.6
523E36.4Very low34.7Very low198 Ų198167.2 Ų167.293%0.92584%0.839SS**SBendtrans-58.5138176.7-70.6176.7145.500111.4
524G44.1Very low34.5Very low72 Ų72163.5 Ų163.574%0.74283%0.833SS**  trans90.483.4158.600000116.4
525V33.1Very low34.5Very low149 Ų149163.5 Ų163.590%0.90383%0.832SS**  trans-148.8134.3133.3-173.60000109.3
526V34.8Very low35.1Very low139 Ų139158.1 Ų158.184%0.84283%0.831SS**  trans-59.5137.7-172.2178.50000113.3
527K32.9Very low35.4Very low206 Ų206158.7 Ų158.790%0.89683%0.833SS**  trans-66.2132.8175.9-70.7174.6177.8170.70111.4
528S30.3Very low36.2Very low117 Ų117152.6 Ų152.682%0.81882%0.818SS**  trans-117.8134.5152.8114.70000109.5
529S32.7Very low36.9Very low107 Ų107150.2 Ų150.275%0.74881%0.813SS**  trans-85.7116-164.649.30000112.4
530F29.9Very low37.4Very low208 Ų208148.8 Ų148.891%0.91281%0.813SS**  trans-133.6104.1153.9-110.1-92000109.6K532F530-K532 PolarHBondContact O-N 3.47Å
531K32.7Very low37.9Very low197 Ų197152.1 Ų152.186%0.85782%0.815SS**  trans-66.3110.9172.3-82.2177.4173.9173.90109
532K35.1Very low38.5Very low202 Ų202152.8 Ų152.888%0.87881%0.814SS**  trans-100.2102.2159.5-133.9175-173.7175.60107.6F530 V534F530-K532 PolarHBondContact O-N 3.47Å; K532-V534 PolarHBondContact O-N 3.07Å
533N33.4Very low38.6Very low156 Ų156156 Ų15683%0.83482%0.816SS**  trans-59.1126.6177.6-86.9-19.3000110.4
534V36.5Very low38.8Very low122 Ų122155 Ų15574%0.73981%0.811SS**  trans-91.2150.2169.7171.70000109K532K532-V534 PolarHBondContact O-N 3.07Å
535R36.6Very low38.6Very low235 Ų235160.7 Ų160.789%0.88781%0.812SS**  trans105.2110147.4-100154.5-168.4-166.52.1118.3
536G48.5Very low38.8Very low76 Ų76162.6 Ų162.678%0.78481%0.808SS**  55.19011900000116.6
537R39.4Very low38.8Very low242 Ų242166.2 Ų166.291%0.91381%0.806SS**  trans-138.8133.3150.3-76.1-170.1174172.7-2.8109.9
538N47.2Very low39Very low107 Ų107163 Ų16357%0.57280%0.804SS**  trans-58.1119.2178.4-166.7-15.7000109.9L540 K541N538-L540 PolarHBondContact O-N 3.02Å; N538-K541 PolarHBondContact O-N 3.18Å
539P51.4Low39.2Very low107 Ų107160.8 Ų160.870%0.69580%0.8SS**THydrogen-bonded Turntrans-70.3-1-168.225.5-32.5000115.1
540L46Very low39.3Very low151 Ų151162 Ų16279%0.79180%0.798SS**THydrogen-bonded Turntrans-97.82.3179.7-71.3163.8000114.3N538N538-L540 PolarHBondContact O-N 3.02Å
541K45.2Very low39.6Very low188 Ų188160 Ų16082%0.81779%0.788SS**SBendtrans-97.8-0.3179.5-74.1-167.9175.5-173.30115.4N538N538-K541 PolarHBondContact O-N 3.18Å
542S45.8Very low39.7Very low106 Ų106159.4 Ų159.474%0.74179%0.786SS**  trans-106.610.5179.557.90000114.6Q544S542-Q544 PolarHBondContact O-N 3.39Å
543F38.4Very low39.8Very low190 Ų190153.5 Ų153.583%0.83378%0.775SS**  trans-84.996176.5-126.4-94.1000110.1
544Q40.3Very low40Very low179 Ų179158.1 Ų158.184%0.83678%0.781SS**  trans-104.4110.2164.6-81.2-172.6-10.800109.3S542 K546S542-Q544 PolarHBondContact O-N 3.39Å; Q544-K546 PolarHBondContact O-N 3.38Å
545Y40.7Very low39.8Very low191 Ų191156.3 Ų156.375%0.74979%0.787SS**  trans-71.2113.5171.8177.1-99000109.7R547Y545-R547 HydrophobicContact CD1-CB 4.44Å; Y545-R547 HydrophobicContact CE1-CB 3.93Å; Y545-R547 HydrophobicContact CE1-CG 4.09Å
546K36.4Very low39.7Very low188 Ų188148.5 Ų148.582%0.81778%0.779SS**  trans-97.9113.9170.4-97.4-174.8177.2179.90110.4Q544Q544-K546 PolarHBondContact O-N 3.38Å
547R36.3Very low39.4Very low216 Ų216154.9 Ų154.982%0.81579%0.786SS**  trans-83.6108.2174.7-157.6179.3-175.9-177.11108.1Y545Y545-R547 HydrophobicContact CD1-CB 4.44Å; Y545-R547 HydrophobicContact CE1-CB 3.93Å; Y545-R547 HydrophobicContact CE1-CG 4.09Å
548T35.4Very low39.4Very low139 Ų139152.5 Ų152.585%0.85381%0.806SS**  trans-109.998.3168.144.60000109.2
549G34.6Very low39Very low70 Ų70154.8 Ų154.872%0.72282%0.818SS**  trans-99.1143.616700000111.2
550N35.5Very low38.4Very low133 Ų133157.3 Ų157.371%0.71182%0.824SS**  trans88.3118.6147.5-102.6-5.3000121.3
551K36.4Very low37.9Very low164 Ų164157.6 Ų157.671%0.71383%0.826SS**  62.6135.6122.8-76.6175.6-170.8176.70116.3
552K35.5Very low37.5Very low185 Ų185155.8 Ų155.880%0.80483%0.827SS**  cis-177.1153.535.6-131.9172.4-176.9-176.60108.7
553A36.8Very low37Very low79 Ų79158.9 Ų158.965%0.65383%0.832SS**  trans79112.6132.600000122.1
554R36.9Very low36.9Very low252 Ų252156.9 Ų156.995%0.95183%0.832SS**  98.1125.5111.6-84.7-176.5170.9-177.9-3.2119.9
555G33Very low36.7Very low84 Ų84155.3 Ų155.387%0.86683%0.832SS**  trans105.3123142.700000113
556G33.3Very low36.4Very low71 Ų71152.5 Ų152.573%0.73284%0.838SS**  cis149.1145.66.300000109
557K43.3Very low36.3Very low210 Ų210149.6 Ų149.691%0.91384%0.84SS**  trans70.1136.1166.5-58.3-178.9177-177.90115.8
558S39.2Very low36.4Very low192 Ų192143.5 Ų143.5100%1.34384%0.842SS**  cis-136.7015.8-72.30000111.5

Retrieved 558 of 558 residues in 104.8 ms (Link to these results)

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