A0A087XYD4_POEFO Loading...

TRAF-type zinc finger domain-containing protein 1

Negative feedback regulator that controls excessive innate immune responses. Regulates both Toll-like receptor 4 (TLR4) and DDX58/RIG1-like helicases (RLH) pathways. May inhibit the LTR pathway by direct interaction with TRAF6 and attenuation of NF-kappa-B activation. May negatively regulate the RLH pathway downstream from MAVS and upstream of NF-kappa-B and IRF3.

AlphaFold DB , UniProt , Accession A0A087XYD4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 484 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
1M41.6Very low74.1Confident240 Ų240100.2 Ų100.2100%1.18256%0.557SS**  0133.10-68.1147.6179.700105.5
2A48.5Very low74.8Confident89 Ų8992.4 Ų92.474%0.73652%0.515SS*.  trans-98.8129.4168.800000106E4A2-E4 PolarHBondContact O-N 2.77Å
3D56.4Low75.4Confident157 Ų15793.2 Ų93.284%0.8451%0.51SS*.  trans-74.8108.9171.5-56.2-63.7000106.8N5D3-N5 PolarHBondContact O-N 3.1Å
4E70.1Confident75.9Confident166 Ų16694.5 Ų94.578%0.77651%0.51SS*.  trans-70100.8178.5-67.3-175.9173.200108.1A2 T6A2-E4 PolarHBondContact O-N 2.77Å; E4-T6 PolarHBondContact O-N 3.42Å; E4-T6 VanDerWaalsContact O-N 3.16Å
5N86.6Confident76.7Confident97 Ų9795.7 Ų95.752%0.51952%0.516SS..  trans-64.8116.7-174.1-161.330.7000109.6D3 E18D3-N5 PolarHBondContact O-N 3.1Å; N5-E18 HydrophobicContact CB-CB 4.37Å; N5-E18 PolarHBondContact ND2-OE1 3.17Å; N5-E18 VanDerWaalsContact ND2-OE1 3.1Å; N5-E18 PolarHBondContact ND2-OE2 3.14Å; N5-E18 VanDerWaalsContact O-CB 3.26Å; N5-E18 WeakPolarHBondContact O-CB 3.37Å; N5-E18 PolarHBondContact O-N 2.76Å
6T87.1Confident77.2Confident70 Ų7090.8 Ų90.843%0.42949%0.489SS..EExtended strand (participates in β ladder)trans-110.9151.3179.952.70000111.7E4 I16E4-T6 PolarHBondContact O-N 3.42Å; E4-T6 VanDerWaalsContact O-N 3.16Å; T6-I16 CarbonylContact C-O 3.49Å; T6-I16 VanDerWaalsContact CA-O 3.23Å; T6-I16 WeakPolarHBondContact CA-O 3.27Å
7Q84.4Confident77.8Confident71 Ų7188.9 Ų88.933%0.33248%0.483SS..EExtended strand (participates in β ladder)trans-125.3133.8173.4-64-168.810.400109.6I16 E18 F21Q7-I16 PolarHBondContact N-O 2.84Å; Q7-I16 PolarHBondContact O-N 3.29Å; Q7-E18 HydrophobicContact CG-CB 4.31Å; Q7-E18 HydrophobicContact CG-CG 4.46Å; Q7-E18 PolarHBondContact NE2-OE1 2.77Å; Q7-F21 HydrophobicContact CB-CB 4.35Å; Q7-F21 HydrophobicContact CB-CD2 3.48Å; Q7-F21 VanDerWaalsContact CB-CD2 3.48Å; Q7-F21 HydrophobicContact CB-CE2 3.81Å; Q7-F21 HydrophobicContact CB-CG 3.86Å; Q7-F21 HydrophobicContact CB-CZ 4.46Å
8F87.4Confident78.3Confident117 Ų11788.8 Ų88.851%0.51348%0.479SS..EExtended strand (participates in β ladder)trans-77.6122.5-179.4177.5-98.5000111.5G10 K13 D15F8-G10 PolarHBondContact O-N 2.68Å; F8-K13 VanDerWaalsContact CE2-C 3.49Å; F8-K13 HydrophobicContact CE2-CB 4.26Å; F8-K13 WeakPolarHBondContact CE2-O 3.23Å; F8-K13 HydrophobicContact CZ-CB 3.99Å; F8-K13 HydrophobicContact CZ-CG 4.44Å; F8-D15 WeakPolarHBondContact CB-OD1 3.31Å; F8-D15 WeakPolarHBondContact CD2-OD1 3.4Å
9C86.8Confident78.6Confident6 Ų689.1 Ų89.14%0.04149%0.494CS..EExtended strand (participates in β ladder)trans-87.7107.3175.9178.30000110.8N11 C12 K13 H14 I16 F21C9-N11 PolarHBondContact O-N 3.48Å; C9-C12 WeakPolarHBondContact CB-SG 3.31Å; C9-K13 VanDerWaalsContact O-CA 3.27Å; C9-K13 WeakPolarHBondContact O-CA 3.26Å; C9-K13 PolarHBondContact O-N 3.16Å; C9-H14 PolarHBondContact N-O 2.7Å; C9-I16 HydrophobicContact CB-CD1 3.56Å; C9-I16 HydrophobicContact CB-CG1 4.36Å; C9-F21 HydrophobicContact CB-CE2 4.03Å
10G82.5Confident78.9Confident58 Ų5889.1 Ų89.160%0.59849%0.493SS*.THydrogen-bonded Turntrans-63.9-3.5-178.900000116.6F8F8-G10 PolarHBondContact O-N 2.68Å
11N83.7Confident79.3Confident31 Ų3186.2 Ų86.217%0.16648%0.476CS..THydrogen-bonded Turntrans-96.1-55.3176.4-166.648.9000111.7C9 C28 I32 L34C9-N11 PolarHBondContact O-N 3.48Å; N11-C28 PolarHBondContact ND2-O 2.96Å; N11-C28 PolarHBondContact ND2-SG 3.24Å; N11-I32 PolarHBondContact ND2-O 3.01Å; N11-L34 WeakPolarHBondContact O-CD2 3.36Å
12C82.6Confident81.5Confident7 Ų779.1 Ų79.15%0.04745%0.446CS..THydrogen-bonded Turntrans-84.4-8.2175.465.40000114.4C9 H14 H24 I32C9-C12 WeakPolarHBondContact CB-SG 3.31Å; C12-H14 PolarHBondContact O-N 2.79Å; C12-H14 PolarHBondContact O-ND1 3.16Å; C12-H24 PolarHBondContact SG-NE2 3.23Å; C12-I32 HydrophobicContact CB-CD1 4.08Å
13K82.8Confident83.3Confident103 Ų10379.5 Ų79.545%0.44844%0.44SS..THydrogen-bonded Turntrans59.326.4-177.3-50.4178.3-171.3173.10115F8 C9 Q39F8-K13 VanDerWaalsContact CE2-C 3.49Å; F8-K13 HydrophobicContact CE2-CB 4.26Å; F8-K13 WeakPolarHBondContact CE2-O 3.23Å; F8-K13 HydrophobicContact CZ-CB 3.99Å; F8-K13 HydrophobicContact CZ-CG 4.44Å; C9-K13 VanDerWaalsContact O-CA 3.27Å; C9-K13 WeakPolarHBondContact O-CA 3.26Å; C9-K13 PolarHBondContact O-N 3.16Å; K13-Q39 WeakPolarHBondContact CE-O 3.45Å; K13-Q39 PolarHBondContact NZ-O 2.81Å
14H81.4Confident84.8Confident111 Ų11174.5 Ų74.551%0.51441%0.411SS..EExtended strand (participates in β ladder)trans-106153175.8-74.862000111.8C9 C12 I16C9-H14 PolarHBondContact N-O 2.7Å; C12-H14 PolarHBondContact O-N 2.79Å; C12-H14 PolarHBondContact O-ND1 3.16Å; H14-I16 HydrophobicContact CB-CG1 4.44Å
15D87.9Confident85.7Confident112 Ų11269.1 Ų69.160%0.59939%0.386SS*.EExtended strand (participates in β ladder)trans-87.7133.7168.9-68.3-50.6000110.5F8F8-D15 WeakPolarHBondContact CB-OD1 3.31Å; F8-D15 WeakPolarHBondContact CD2-OD1 3.4Å
16I85.5Confident85.7Confident17 Ų1768.2 Ų68.29%0.08738%0.38CS..EExtended strand (participates in β ladder)trans-137.3133.6-163.9-48.7-171.9000109.9T6 Q7 C9 H14 E18 F21 H24T6-I16 CarbonylContact C-O 3.49Å; T6-I16 VanDerWaalsContact CA-O 3.23Å; T6-I16 WeakPolarHBondContact CA-O 3.27Å; Q7-I16 PolarHBondContact N-O 2.84Å; Q7-I16 PolarHBondContact O-N 3.29Å; C9-I16 HydrophobicContact CB-CD1 3.56Å; C9-I16 HydrophobicContact CB-CG1 4.36Å; H14-I16 HydrophobicContact CB-CG1 4.44Å; I16-E18 PolarHBondContact O-N 3.15Å; I16-F21 HydrophobicContact CB-CD2 4.35Å; I16-H24 HydrophobicContact CD1-CB 4.1Å; I16-H24 WeakPolarHBondContact CD1-CD2 3.49Å; I16-H24 WeakPolarHBondContact CD1-NE2 3.11Å; I16-H24 HydrophobicContact CG2-CB 4.21Å
17P87.9Confident85.6Confident60 Ų6069 Ų6939%0.3938%0.379SS..EExtended strand (participates in β ladder)trans-52.7129.5176.5-27.735.6000112A19 N20 F21P17-A19 PolarHBondContact O-N 3.33Å; P17-A19 VanDerWaalsContact O-N 3.15Å; P17-N20 CarbonylContact O-C 3.51Å; P17-N20 WeakPolarHBondContact O-CA 3.3Å; P17-N20 PolarHBondContact O-N 3.45Å; P17-F21 PolarHBondContact O-N 3.04Å
18E86.6Confident85.8Confident87 Ų8765.6 Ų65.641%0.40736%0.363SS..Hα-helixtrans-54-38.3-174173.9170.6-106.100112.7N5 Q7 I16 N20 F21N5-E18 HydrophobicContact CB-CB 4.37Å; N5-E18 PolarHBondContact ND2-OE1 3.17Å; N5-E18 VanDerWaalsContact ND2-OE1 3.1Å; N5-E18 PolarHBondContact ND2-OE2 3.14Å; N5-E18 VanDerWaalsContact O-CB 3.26Å; N5-E18 WeakPolarHBondContact O-CB 3.37Å; N5-E18 PolarHBondContact O-N 2.76Å; Q7-E18 HydrophobicContact CG-CB 4.31Å; Q7-E18 HydrophobicContact CG-CG 4.46Å; Q7-E18 PolarHBondContact NE2-OE1 2.77Å; I16-E18 PolarHBondContact O-N 3.15Å; E18-N20 PolarHBondContact O-N 2.88Å; E18-N20 VanDerWaalsContact O-N 3.17Å; E18-F21 PolarHBondContact O-N 3.45Å; E18-F21 VanDerWaalsContact O-N 3.14Å
19A83Confident85.7Confident93 Ų9367.7 Ų67.777%0.76937%0.368SS*.Hα-helixtrans-56.4-30.2175.300000113.5P17P17-A19 PolarHBondContact O-N 3.33Å; P17-A19 VanDerWaalsContact O-N 3.15Å
20N85.3Confident85.7Confident89 Ų8976 Ų7648%0.47640%0.398SS..Hα-helixtrans-107.2-2.5-178.5-63.7-0.1000112.5P17 E18 T22 T23 H24P17-N20 CarbonylContact O-C 3.51Å; P17-N20 WeakPolarHBondContact O-CA 3.3Å; P17-N20 PolarHBondContact O-N 3.45Å; E18-N20 PolarHBondContact O-N 2.88Å; E18-N20 VanDerWaalsContact O-N 3.17Å; N20-T22 PolarHBondContact O-N 3.06Å; N20-T23 PolarHBondContact O-N 2.98Å; N20-T23 PolarHBondContact O-OG1 3.4Å; N20-H24 WeakPolarHBondContact O-CB 3.32Å; N20-H24 PolarHBondContact O-N 2.97Å
21F87.2Confident85.8Confident30 Ų3077.1 Ų77.113%0.13239%0.39CS..Hα-helixtrans-62.9-42.4-175.7-176.4-93.4000112Q7 C9 I16 P17 E18 T23 H24 E25Q7-F21 HydrophobicContact CB-CB 4.35Å; Q7-F21 HydrophobicContact CB-CD2 3.48Å; Q7-F21 VanDerWaalsContact CB-CD2 3.48Å; Q7-F21 HydrophobicContact CB-CE2 3.81Å; Q7-F21 HydrophobicContact CB-CG 3.86Å; Q7-F21 HydrophobicContact CB-CZ 4.46Å; C9-F21 HydrophobicContact CB-CE2 4.03Å; I16-F21 HydrophobicContact CB-CD2 4.35Å; P17-F21 PolarHBondContact O-N 3.04Å; E18-F21 PolarHBondContact O-N 3.45Å; E18-F21 VanDerWaalsContact O-N 3.14Å; F21-T23 PolarHBondContact O-N 2.97Å; F21-H24 PolarHBondContact O-N 2.83Å; F21-E25 HydrophobicContact CE1-CB 4.27Å; F21-E25 HydrophobicContact CE1-CG 4.48Å; F21-E25 VanDerWaalsContact O-CB 3.31Å; F21-E25 WeakPolarHBondContact O-CB 3.45Å; F21-E25 PolarHBondContact O-N 2.74Å
22T87.6Confident86Confident91 Ų9177.6 Ų77.656%0.55839%0.393SS*.Hα-helixtrans-64-39.6-179.6-52.90000112.8N20 I26N20-T22 PolarHBondContact O-N 3.06Å; T22-I26 HydrophobicContact CG2-CD1 4.47Å; T22-I26 WeakPolarHBondContact O-CD1 3.43Å; T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å
23T86.4Confident86.2Confident97 Ų9777.5 Ų77.560%0.59539%0.393SS*.Hα-helixtrans-72.4-41.1176.644.30000110.9N20 F21 I26 H27N20-T23 PolarHBondContact O-N 2.98Å; N20-T23 PolarHBondContact O-OG1 3.4Å; F21-T23 PolarHBondContact O-N 2.97Å; T23-I26 PolarHBondContact O-N 3.42Å; T23-H27 PolarHBondContact O-N 3.07Å; T23-H27 VanDerWaalsContact O-N 3.07Å
24H87.6Confident86.5Confident51 Ų5175.1 Ų75.124%0.23638%0.384CS..Hα-helixtrans-63.1-47.3174.5-179.794000112.7C12 I16 N20 F21 I26 H27 C28C12-H24 PolarHBondContact SG-NE2 3.23Å; I16-H24 HydrophobicContact CD1-CB 4.1Å; I16-H24 WeakPolarHBondContact CD1-CD2 3.49Å; I16-H24 WeakPolarHBondContact CD1-NE2 3.11Å; I16-H24 HydrophobicContact CG2-CB 4.21Å; N20-H24 WeakPolarHBondContact O-CB 3.32Å; N20-H24 PolarHBondContact O-N 2.97Å; F21-H24 PolarHBondContact O-N 2.83Å; H24-I26 PolarHBondContact O-N 3.17Å; H24-I26 VanDerWaalsContact O-N 3.16Å; H24-H27 PolarHBondContact O-N 3.18Å; H24-C28 VanDerWaalsContact NE2-CB 3.26Å; H24-C28 WeakPolarHBondContact NE2-CB 3.29Å; H24-C28 WeakPolarHBondContact O-CB 3.5Å; H24-C28 PolarHBondContact O-N 3.41Å
25E89.5Confident86.8Confident53 Ų5369.8 Ų69.825%0.24836%0.36CS..Hα-helixtrans-53.9-39.7-179-174.8-171.5-159.900111.2F21 R29F21-E25 HydrophobicContact CE1-CB 4.27Å; F21-E25 HydrophobicContact CE1-CG 4.48Å; F21-E25 VanDerWaalsContact O-CB 3.31Å; F21-E25 WeakPolarHBondContact O-CB 3.45Å; F21-E25 PolarHBondContact O-N 2.74Å; E25-R29 VanDerWaalsContact O-CB 3.32Å; E25-R29 WeakPolarHBondContact O-CB 3.33Å; E25-R29 VanDerWaalsContact O-CG 3.3Å; E25-R29 WeakPolarHBondContact O-CG 3.26Å; E25-R29 PolarHBondContact O-N 3.01Å; E25-R29 IonicContact OE1-CZ 2.64Å; E25-R29 IonicContact OE1-NH1 3.57Å; E25-R29 PolarHBondContact OE1-NH1 2.85Å; E25-R29 IonicContact OE1-NH2 2.68Å; E25-R29 PolarHBondContact OE1-NH2 2.65Å; E25-R29 IonicContact OE2-NH1 2.7Å
26I86.9Confident86.7Confident78 Ų7869.9 Ų69.940%0.436%0.36SS..Hα-helixtrans-73-42178-64.8170000111.9T22 T23 H24 R30T22-I26 HydrophobicContact CG2-CD1 4.47Å; T22-I26 WeakPolarHBondContact O-CD1 3.43Å; T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å; T23-I26 PolarHBondContact O-N 3.42Å; H24-I26 PolarHBondContact O-N 3.17Å; H24-I26 VanDerWaalsContact O-N 3.16Å; I26-R30 VanDerWaalsContact O-CD 3.29Å; I26-R30 WeakPolarHBondContact O-CD 3.49Å; I26-R30 VanDerWaalsContact O-CG 3.27Å; I26-R30 WeakPolarHBondContact O-CG 3.27Å
27H85.1Confident86.5Confident87 Ų8772.9 Ų72.940%0.40338%0.379SS..Hα-helixtrans-69-51.4178.2-175.7113.2000111.2T23 H24 R29 R30 N31T23-H27 PolarHBondContact O-N 3.07Å; T23-H27 VanDerWaalsContact O-N 3.07Å; H24-H27 PolarHBondContact O-N 3.18Å; H27-R29 PolarHBondContact O-N 3.29Å; H27-R30 WeakPolarHBondContact O-CB 3.34Å; H27-R30 PolarHBondContact O-N 2.82Å; H27-N31 PolarHBondContact CE1-ND2 2.95Å; H27-N31 VanDerWaalsContact CE1-ND2 3.31Å; H27-N31 PolarHBondContact NE2-ND2 3.31Å; H27-N31 PolarHBondContact O-N 3.22Å
28C87.7Confident86.3Confident0 Ų072 Ų720%037%0.374CS..Hα-helixtrans-57.1-45.9-180-179.50000112.3N11 H24 R30 N31 I32N11-C28 PolarHBondContact ND2-O 2.96Å; N11-C28 PolarHBondContact ND2-SG 3.24Å; H24-C28 VanDerWaalsContact NE2-CB 3.26Å; H24-C28 WeakPolarHBondContact NE2-CB 3.29Å; H24-C28 WeakPolarHBondContact O-CB 3.5Å; H24-C28 PolarHBondContact O-N 3.41Å; C28-R30 PolarHBondContact O-N 3.01Å; C28-R30 VanDerWaalsContact O-N 3.17Å; C28-N31 PolarHBondContact O-N 3.43Å; C28-I32 WeakPolarHBondContact O-CA 3.22Å; C28-I32 WeakPolarHBondContact O-CB 3.06Å; C28-I32 PolarHBondContact O-N 3.49Å; C28-I32 VanDerWaalsContact O-O 3.07Å
29R85.6Confident86.1Confident161 Ų16172.1 Ų72.161%0.60837%0.374SS*.Hα-helixtrans-67.3-10.6176.4-76.9-175.1179.8136.212.8115.1E25 H27E25-R29 VanDerWaalsContact O-CB 3.32Å; E25-R29 WeakPolarHBondContact O-CB 3.33Å; E25-R29 VanDerWaalsContact O-CG 3.3Å; E25-R29 WeakPolarHBondContact O-CG 3.26Å; E25-R29 PolarHBondContact O-N 3.01Å; E25-R29 IonicContact OE1-CZ 2.64Å; E25-R29 IonicContact OE1-NH1 3.57Å; E25-R29 PolarHBondContact OE1-NH1 2.85Å; E25-R29 IonicContact OE1-NH2 2.68Å; E25-R29 PolarHBondContact OE1-NH2 2.65Å; E25-R29 IonicContact OE2-NH1 2.7Å; H27-R29 PolarHBondContact O-N 3.29Å
30R86.6Confident86.1Confident180 Ų18072.4 Ų72.468%0.67936%0.36SS*.Hα-helixtrans-99.8-38.2176.5-69.2170.5-178.2170.51.5111.9I26 H27 C28 H44I26-R30 VanDerWaalsContact O-CD 3.29Å; I26-R30 WeakPolarHBondContact O-CD 3.49Å; I26-R30 VanDerWaalsContact O-CG 3.27Å; I26-R30 WeakPolarHBondContact O-CG 3.27Å; H27-R30 WeakPolarHBondContact O-CB 3.34Å; H27-R30 PolarHBondContact O-N 2.82Å; C28-R30 PolarHBondContact O-N 3.01Å; C28-R30 VanDerWaalsContact O-N 3.17Å; R30-H44 PolarHBondContact O-CD2 2.87Å
31N84.3Confident86.2Confident81 Ų8170.5 Ų70.543%0.43335%0.352SS..Hα-helixtrans-102.7-27.4-170.7-68.95.8000113.3H27 C28 P43 H44H27-N31 PolarHBondContact CE1-ND2 2.95Å; H27-N31 VanDerWaalsContact CE1-ND2 3.31Å; H27-N31 PolarHBondContact NE2-ND2 3.31Å; H27-N31 PolarHBondContact O-N 3.22Å; C28-N31 PolarHBondContact O-N 3.43Å; N31-P43 CarbonylContact O-C 3.47Å; N31-P43 VanDerWaalsContact O-CA 3.28Å; N31-P43 WeakPolarHBondContact O-CA 3.09Å; N31-H44 PolarHBondContact O-N 3.19Å
32I88.8Confident86.2Confident42 Ų4269.7 Ų69.722%0.21535%0.35CS..EExtended strand (participates in β ladder)trans-112.7121.3-177.1-59.3176.7000109.6N11 C12 C28 P41N11-I32 PolarHBondContact ND2-O 3.01Å; C12-I32 HydrophobicContact CB-CD1 4.08Å; C28-I32 WeakPolarHBondContact O-CA 3.22Å; C28-I32 WeakPolarHBondContact O-CB 3.06Å; C28-I32 PolarHBondContact O-N 3.49Å; C28-I32 VanDerWaalsContact O-O 3.07Å; I32-P41 HydrophobicContact CG2-CB 3.61Å
33G87.1Confident86.3Confident5 Ų567.6 Ų67.65%0.05234%0.338CS..EExtended strand (participates in β ladder)trans-105.4151.1170.300000111.2V42G33-V42 PolarHBondContact N-O 2.99Å; G33-V42 PolarHBondContact O-N 3.28Å
34L88.4Confident86.3Confident52 Ų5267.8 Ų67.827%0.27233%0.332SS..EExtended strand (participates in β ladder)trans-82.1133.1166.6-67.9172.8000109.5N11 E40 P41N11-L34 WeakPolarHBondContact O-CD2 3.36Å; L34-E40 WeakPolarHBondContact CA-O 3.32Å; L34-P41 HydrophobicContact CD2-CB 4.33Å
35C88.1Confident86.3Confident0 Ų070.1 Ų70.10%035%0.354CS..  trans-68.9130171.1179.20000110.9V37 C38 Q39 E40 L47 H50C35-V37 PolarHBondContact O-N 3.05Å; C35-C38 VanDerWaalsContact CB-SG 3.53Å; C35-Q39 WeakPolarHBondContact O-CA 3.38Å; C35-Q39 PolarHBondContact O-N 3.27Å; C35-Q39 PolarHBondContact O-NE2 2.88Å; C35-E40 PolarHBondContact N-O 2.8Å; C35-L47 HydrophobicContact CB-CD1 4.06Å; C35-H50 WeakPolarHBondContact CB-NE2 3.43Å; C35-H50 VanDerWaalsContact SG-CD2 3.56Å; C35-H50 PolarHBondContact SG-NE2 2.97Å
36D85.1Confident86.2Confident113 Ų11371.4 Ų71.460%0.60436%0.36SS*.THydrogen-bonded Turntrans-56.7-29.1-174.8-55.4-81.3000113.9Q39 K51D36-Q39 PolarHBondContact O-NE2 2.79Å; D36-K51 WeakPolarHBondContact OD2-CE 3.28Å; D36-K51 IonicContact OD2-NZ 3.99Å; D36-K51 PolarHBondContact OD2-NZ 3.34Å
37V82.1Confident86.3Confident80 Ų8068.8 Ų68.849%0.48535%0.346SS..THydrogen-bonded Turntrans-96.9-55.7-170.7-172.70000112.8C35 H55C35-V37 PolarHBondContact O-N 3.05Å; V37-H55 VanDerWaalsContact CB-CE1 3.43Å; V37-H55 WeakPolarHBondContact CB-CE1 3.47Å; V37-H55 VanDerWaalsContact CG1-CE1 3.4Å; V37-H55 WeakPolarHBondContact CG1-CE1 3.28Å; V37-H55 VanDerWaalsContact CG1-ND1 3.33Å; V37-H55 WeakPolarHBondContact CG1-ND1 3.33Å
38C82.5Confident86.4Confident42 Ų4270.5 Ų70.528%0.28436%0.355SS..THydrogen-bonded Turntrans-86-15176.462.50000114.3C35 E40 H50 H55C35-C38 VanDerWaalsContact CB-SG 3.53Å; C38-E40 HydrophobicContact CB-CG 4Å; C38-E40 PolarHBondContact O-N 2.84Å; C38-E40 VanDerWaalsContact SG-CB 3.55Å; C38-E40 VanDerWaalsContact SG-CG 3.56Å; C38-E40 PolarHBondContact SG-N 2.64Å; C38-E40 VanDerWaalsContact SG-N 3.45Å; C38-E40 PolarHBondContact SG-OE2 3.32Å; C38-H50 PolarHBondContact SG-NE2 2.83Å; C38-H50 VanDerWaalsContact SG-NE2 3.37Å; C38-H55 PolarHBondContact SG-NE2 3.16Å
39Q83.6Confident86.5Confident89 Ų8975.9 Ų75.942%0.41638%0.38SS..  trans56.730.6-172.4-61.7-68.6-41.300113.3K13 C35 D36K13-Q39 WeakPolarHBondContact CE-O 3.45Å; K13-Q39 PolarHBondContact NZ-O 2.81Å; C35-Q39 WeakPolarHBondContact O-CA 3.38Å; C35-Q39 PolarHBondContact O-N 3.27Å; C35-Q39 PolarHBondContact O-NE2 2.88Å; D36-Q39 PolarHBondContact O-NE2 2.79Å
40E83.1Confident86.7Confident99 Ų9969.4 Ų69.446%0.46336%0.357SS..  trans-83.6144.6172.2-65.9171.3144.800110.9L34 C35 C38 V42 H50L34-E40 WeakPolarHBondContact CA-O 3.32Å; C35-E40 PolarHBondContact N-O 2.8Å; C38-E40 HydrophobicContact CB-CG 4Å; C38-E40 PolarHBondContact O-N 2.84Å; C38-E40 VanDerWaalsContact SG-CB 3.55Å; C38-E40 VanDerWaalsContact SG-CG 3.56Å; C38-E40 PolarHBondContact SG-N 2.64Å; C38-E40 VanDerWaalsContact SG-N 3.45Å; C38-E40 PolarHBondContact SG-OE2 3.32Å; E40-V42 PolarHBondContact O-N 3.08Å; E40-H50 IonicContact OE2-CE1 3.53Å
41P87.6Confident86.7Confident49 Ų4963.5 Ų63.532%0.31834%0.336SS..EExtended strand (participates in β ladder)trans-75.6118.9174.130.1-31.8000110.5I32 L34I32-P41 HydrophobicContact CG2-CB 3.61Å; L34-P41 HydrophobicContact CD2-CB 4.33Å
42V86.6Confident86.8Confident14 Ų1464.3 Ų64.39%0.08534%0.339CS..EExtended strand (participates in β ladder)trans-131.9141.5-178.4-175.20000109.1G33 E40 H44 E46 L47 H50G33-V42 PolarHBondContact N-O 2.99Å; G33-V42 PolarHBondContact O-N 3.28Å; E40-V42 PolarHBondContact O-N 3.08Å; V42-H44 PolarHBondContact O-N 3.48Å; V42-E46 HydrophobicContact CG1-CB 4.04Å; V42-L47 HydrophobicContact CB-CD1 4.05Å; V42-H50 HydrophobicContact CG1-CB 3.92Å; V42-H50 HydrophobicContact CG2-CB 4.41Å
43P89.3Confident86.6Confident47 Ų4766.7 Ų66.731%0.30535%0.349SS..EExtended strand (participates in β ladder)trans-53.7139172.6-27.236.2000111.9N31 S45 E46 L47N31-P43 CarbonylContact O-C 3.47Å; N31-P43 VanDerWaalsContact O-CA 3.28Å; N31-P43 WeakPolarHBondContact O-CA 3.09Å; P43-S45 WeakPolarHBondContact CB-OG 3.4Å; P43-S45 PolarHBondContact O-N 3.36Å; P43-S45 VanDerWaalsContact O-N 3.16Å; P43-E46 HydrophobicContact CB-CB 4.31Å; P43-E46 HydrophobicContact CB-CG 4.49Å; P43-E46 CarbonylContact O-C 3.54Å; P43-E46 PolarHBondContact O-N 3.25Å; P43-L47 WeakPolarHBondContact O-CB 3.2Å; P43-L47 PolarHBondContact O-N 2.86Å
44H87.3Confident86.2Confident101 Ų10169.3 Ų69.347%0.46836%0.36SS..THydrogen-bonded Turntrans-61.8-25.1-178.4-93-63.4000113.4R30 N31 V42R30-H44 PolarHBondContact O-CD2 2.87Å; N31-H44 PolarHBondContact O-N 3.19Å; V42-H44 PolarHBondContact O-N 3.48Å
45S86.2Confident86.1Confident99 Ų9968.1 Ų68.169%0.69235%0.353SS*.THydrogen-bonded Turntrans-62-44.9168.239.80000112.7P43P43-S45 WeakPolarHBondContact CB-OG 3.4Å; P43-S45 PolarHBondContact O-N 3.36Å; P43-S45 VanDerWaalsContact O-N 3.16Å
46E88.8Confident86Confident81 Ų8170.9 Ų70.938%0.37937%0.37SS..THydrogen-bonded Turntrans-95.2-15.5-171.7-70.4162.3-143.700113V42 P43 Q48 E49 H50V42-E46 HydrophobicContact CG1-CB 4.04Å; P43-E46 HydrophobicContact CB-CB 4.31Å; P43-E46 HydrophobicContact CB-CG 4.49Å; P43-E46 CarbonylContact O-C 3.54Å; P43-E46 PolarHBondContact O-N 3.25Å; E46-Q48 PolarHBondContact O-N 2.91Å; E46-E49 CarbonylContact O-C 3.56Å; E46-E49 WeakPolarHBondContact O-CA 3.4Å; E46-E49 PolarHBondContact O-N 3.02Å; E46-H50 PolarHBondContact O-N 3.3Å
47L88.5Confident86.1Confident22 Ų2271.1 Ų71.112%0.11537%0.368CS..Hα-helixtrans-51.4-35.2-178.1-173.869.4000113.2C35 V42 P43 K51C35-L47 HydrophobicContact CB-CD1 4.06Å; V42-L47 HydrophobicContact CB-CD1 4.05Å; P43-L47 WeakPolarHBondContact O-CB 3.2Å; P43-L47 PolarHBondContact O-N 2.86Å; L47-K51 WeakPolarHBondContact O-CB 3.4Å; L47-K51 WeakPolarHBondContact O-CD 3.44Å; L47-K51 VanDerWaalsContact O-CG 3.25Å; L47-K51 WeakPolarHBondContact O-CG 3.43Å; L47-K51 PolarHBondContact O-N 2.82Å; L47-K51 VanDerWaalsContact O-N 3.17Å
48Q87.9Confident86.3Confident124 Ų12470.2 Ų70.258%0.57936%0.359SS*.Hα-helixtrans-75.6-37.3176.3-176.560.920.800112.3E46 I52E46-Q48 PolarHBondContact O-N 2.91Å; Q48-I52 HydrophobicContact CG-CD1 4.36Å; Q48-I52 WeakPolarHBondContact O-CD1 3.44Å; Q48-I52 WeakPolarHBondContact O-CG1 3.5Å; Q48-I52 PolarHBondContact O-N 3.31Å; Q48-I52 VanDerWaalsContact O-N 3.16Å
49E88.7Confident86.4Confident112 Ų11272.6 Ų72.652%0.52337%0.373SS..Hα-helixtrans-70.5-46.3175.1177.1157.1-156.100111.1E46 K51 I52 Q53E46-E49 CarbonylContact O-C 3.56Å; E46-E49 WeakPolarHBondContact O-CA 3.4Å; E46-E49 PolarHBondContact O-N 3.02Å; E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 3.29Å; E49-I52 CarbonylContact O-C 3.43Å; E49-I52 WeakPolarHBondContact O-CA 3.44Å; E49-I52 WeakPolarHBondContact O-CB 3.41Å; E49-I52 PolarHBondContact O-N 3.45Å; E49-Q53 VanDerWaalsContact CD-NE2 3.32Å; E49-Q53 HydrophobicContact CG-CG 3.94Å; E49-Q53 WeakPolarHBondContact O-CG 3.25Å; E49-Q53 PolarHBondContact O-N 2.88Å; E49-Q53 PolarHBondContact OE1-NE2 3.04Å
50H89.5Confident86.5Confident26 Ų2669 Ų6912%0.1236%0.357CS..Hα-helixtrans-52.4-43.4171.4162.686.8000112C35 C38 E40 V42 E46 I52 Q53 E54 H55C35-H50 WeakPolarHBondContact CB-NE2 3.43Å; C35-H50 VanDerWaalsContact SG-CD2 3.56Å; C35-H50 PolarHBondContact SG-NE2 2.97Å; C38-H50 PolarHBondContact SG-NE2 2.83Å; C38-H50 VanDerWaalsContact SG-NE2 3.37Å; E40-H50 IonicContact OE2-CE1 3.53Å; V42-H50 HydrophobicContact CG1-CB 3.92Å; V42-H50 HydrophobicContact CG2-CB 4.41Å; E46-H50 PolarHBondContact O-N 3.3Å; H50-I52 VanDerWaalsContact C-N 3.32Å; H50-I52 PolarHBondContact O-N 3.48Å; H50-Q53 PolarHBondContact O-N 2.96Å; H50-E54 PolarHBondContact O-N 3.46Å; H50-H55 AromaticContact NE2-CD2 3.69Å; H50-H55 AromaticContact NE2-NE2 3.63Å
51K87.9Confident86.4Confident55 Ų5573.7 Ų73.724%0.23938%0.376CS..Hα-helixtrans-62.4-36.5174.5-79.1170.9177.5179.70112.9D36 L47 E49 H55 T56D36-K51 WeakPolarHBondContact OD2-CE 3.28Å; D36-K51 IonicContact OD2-NZ 3.99Å; D36-K51 PolarHBondContact OD2-NZ 3.34Å; L47-K51 WeakPolarHBondContact O-CB 3.4Å; L47-K51 WeakPolarHBondContact O-CD 3.44Å; L47-K51 VanDerWaalsContact O-CG 3.25Å; L47-K51 WeakPolarHBondContact O-CG 3.43Å; L47-K51 PolarHBondContact O-N 2.82Å; L47-K51 VanDerWaalsContact O-N 3.17Å; E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 3.29Å; K51-H55 CarbonylContact O-C 3.6Å; K51-H55 WeakPolarHBondContact O-CA 3.47Å; K51-H55 WeakPolarHBondContact O-CB 3.25Å; K51-H55 PolarHBondContact O-N 3.47Å; K51-H55 VanDerWaalsContact O-N 3.09Å; K51-T56 PolarHBondContact O-N 3.05Å
52I85.8Confident86Confident98 Ų9872.9 Ų72.950%0.50337%0.371SS..Hα-helixtrans-74.9-39.6176.2-67.4164.4000111.2Q48 E49 H50 T56Q48-I52 HydrophobicContact CG-CD1 4.36Å; Q48-I52 WeakPolarHBondContact O-CD1 3.44Å; Q48-I52 WeakPolarHBondContact O-CG1 3.5Å; Q48-I52 PolarHBondContact O-N 3.31Å; Q48-I52 VanDerWaalsContact O-N 3.16Å; E49-I52 CarbonylContact O-C 3.43Å; E49-I52 WeakPolarHBondContact O-CA 3.44Å; E49-I52 WeakPolarHBondContact O-CB 3.41Å; E49-I52 PolarHBondContact O-N 3.45Å; H50-I52 VanDerWaalsContact C-N 3.32Å; H50-I52 PolarHBondContact O-N 3.48Å; I52-T56 WeakPolarHBondContact CA-OG1 3.29Å; I52-T56 WeakPolarHBondContact O-CB 3.13Å; I52-T56 PolarHBondContact O-OG1 3.17Å
53Q84.1Confident85.7Confident92 Ų9274.9 Ų74.943%0.4340%0.395SS..Hα-helixtrans-70.7-50.9179.5-67.6-171.110.700110.5E49 H50 K68E49-Q53 VanDerWaalsContact CD-NE2 3.32Å; E49-Q53 HydrophobicContact CG-CG 3.94Å; E49-Q53 WeakPolarHBondContact O-CG 3.25Å; E49-Q53 PolarHBondContact O-N 2.88Å; E49-Q53 PolarHBondContact OE1-NE2 3.04Å; H50-Q53 PolarHBondContact O-N 2.96Å; Q53-K68 WeakPolarHBondContact O-CB 3.45Å; Q53-K68 WeakPolarHBondContact O-CD 3.42Å; Q53-K68 VanDerWaalsContact O-CE 3.32Å; Q53-K68 WeakPolarHBondContact O-CE 3.33Å; Q53-K68 VanDerWaalsContact O-CG 3.31Å; Q53-K68 WeakPolarHBondContact O-CG 3.41Å; Q53-K68 PolarHBondContact O-NZ 3.03Å
54E79.5Confident85.3Confident60 Ų6076.8 Ų76.828%0.2840%0.402SS..Hα-helixtrans-100.6-32.5-168.5-63.7-47.9107.200114.4H50 K68 N69H50-E54 PolarHBondContact O-N 3.46Å; E54-K68 PolarHBondContact O-N 3.37Å; E54-K68 IonicContact OE1-NZ 2.89Å; E54-K68 PolarHBondContact OE1-NZ 3.25Å; E54-N69 HydrophobicContact CB-CB 4.21Å; E54-N69 WeakPolarHBondContact O-CB 3.36Å; E54-N69 VanDerWaalsContact O-CG 3.27Å; E54-N69 PolarHBondContact O-N 3.3Å
55H85.6Confident85.2Confident27 Ų2778.6 Ų78.613%0.12541%0.408CS..SBendtrans-105.23.4-175.6-64.2-68.5000114.7V37 C38 H50 K51 Q57 E67 N69V37-H55 VanDerWaalsContact CB-CE1 3.43Å; V37-H55 WeakPolarHBondContact CB-CE1 3.47Å; V37-H55 VanDerWaalsContact CG1-CE1 3.4Å; V37-H55 WeakPolarHBondContact CG1-CE1 3.28Å; V37-H55 VanDerWaalsContact CG1-ND1 3.33Å; V37-H55 WeakPolarHBondContact CG1-ND1 3.33Å; C38-H55 PolarHBondContact SG-NE2 3.16Å; H50-H55 AromaticContact NE2-CD2 3.69Å; H50-H55 AromaticContact NE2-NE2 3.63Å; K51-H55 CarbonylContact O-C 3.6Å; K51-H55 WeakPolarHBondContact O-CA 3.47Å; K51-H55 WeakPolarHBondContact O-CB 3.25Å; K51-H55 PolarHBondContact O-N 3.47Å; K51-H55 VanDerWaalsContact O-N 3.09Å; H55-Q57 PolarHBondContact O-N 2.81Å; H55-E67 IonicContact CE1-OE2 3.03Å; H55-E67 IonicContact CG-OE2 3.83Å; H55-E67 IonicContact ND1-OE2 2.75Å; H55-E67 PolarHBondContact ND1-OE2 3.21Å; H55-N69 PolarHBondContact CE1-ND2 2.93Å; H55-N69 PolarHBondContact ND1-ND2 3.01Å; H55-N69 VanDerWaalsContact ND1-ND2 3.16Å
56T85.8Confident85.1Confident58 Ų5875 Ų7536%0.35638%0.381SS..  trans-61.1127.1169.4-71.80000110.2K51 I52 I58 K68K51-T56 PolarHBondContact O-N 3.05Å; I52-T56 WeakPolarHBondContact CA-OG1 3.29Å; I52-T56 WeakPolarHBondContact O-CB 3.13Å; I52-T56 PolarHBondContact O-OG1 3.17Å; T56-I58 HydrophobicContact CG2-CG2 4.35Å; T56-I58 PolarHBondContact O-N 3.1Å; T56-K68 PolarHBondContact O-N 3.43Å
57Q87.2Confident84.9Confident119 Ų11973.7 Ų73.756%0.55638%0.375SS*.EExtended strand (participates in β ladder)trans-75.2112174.8-180171.493.900110.6H55 K65 I66H55-Q57 PolarHBondContact O-N 2.81Å; Q57-K65 HydrophobicContact CG-CB 3.82Å; Q57-K65 HydrophobicContact CG-CD 4.45Å; Q57-I66 CarbonylContact C-O 3.46Å; Q57-I66 WeakPolarHBondContact CA-O 3.43Å
58I86Confident84.7Confident60 Ų6076.6 Ų76.631%0.30839%0.387SS..EExtended strand (participates in β ladder)trans-99.8157.2172.372.5173.2000110.8T56 K65 I66 K68T56-I58 HydrophobicContact CG2-CG2 4.35Å; T56-I58 PolarHBondContact O-N 3.1Å; I58-K65 WeakPolarHBondContact O-CA 3.45Å; I58-I66 HydrophobicContact CG1-CG1 4.1Å; I58-I66 PolarHBondContact N-O 3.48Å; I58-I66 PolarHBondContact O-N 2.99Å; I58-I66 VanDerWaalsContact O-O 3.1Å; I58-K68 HydrophobicContact CG2-CB 4.45Å
59T85.6Confident84.3Confident93 Ų9373.1 Ų73.157%0.57137%0.372SS*.EExtended strand (participates in β ladder)trans-99.7120.2173.9-55.90000109
60C86.7Confident83.9Confident13 Ų1372.8 Ų72.89%0.08837%0.37CS..PPolyproline II helixtrans-77.1160.3177.7-169.30000111.2C62 G63 L64 I66C60-C62 PolarHBondContact O-N 3.38Å; C60-G63 PolarHBondContact O-N 3.2Å; C60-L64 PolarHBondContact N-O 3.14Å; C60-I66 HydrophobicContact CB-CD1 3.79Å; C60-I66 HydrophobicContact CB-CG1 4.44Å
61K79.2Confident83.6Confident197 Ų19772.2 Ų72.286%0.85737%0.37SS*.THydrogen-bonded Turntrans-58.4-17.9177.9-61-176.3-179.7-177.10114G63K61-G63 VanDerWaalsContact C-N 3.31Å
62C80.1Confident83.4Confident32 Ų3276.9 Ų76.922%0.21639%0.392CS..THydrogen-bonded Turntrans-81.8-1172.262.40000114.6C60 L64 H74 P80 Q81C60-C62 PolarHBondContact O-N 3.38Å; C62-L64 VanDerWaalsContact C-N 3.3Å; C62-L64 PolarHBondContact O-N 3.44Å; C62-H74 PolarHBondContact SG-NE2 2.86Å; C62-P80 HydrophobicContact CB-CG 3.98Å; C62-Q81 HydrophobicContact CB-CB 4.27Å; C62-Q81 HydrophobicContact CB-CG 3.88Å
63G79.7Confident83.3Confident56 Ų5676 Ų7658%0.57739%0.392SS*.SBendtrans83.2-6-176.600000115.1C60 K61C60-G63 PolarHBondContact O-N 3.2Å; K61-G63 VanDerWaalsContact C-N 3.31Å
64L82.4Confident83.4Confident87 Ų8772 Ų7246%0.45537%0.373SS..  trans-76.4139.3174.9-62.8174.1000110.9C60 C62 I66C60-L64 PolarHBondContact N-O 3.14Å; C62-L64 VanDerWaalsContact C-N 3.3Å; C62-L64 PolarHBondContact O-N 3.44Å; L64-I66 HydrophobicContact CB-CG2 4.47Å
65K83.3Confident83.6Confident139 Ų13973.9 Ų73.960%0.60438%0.381SS*.EExtended strand (participates in β ladder)trans-92.1127.1172-59-165.9-177.1-173.30109.7Q57 I58Q57-K65 HydrophobicContact CG-CB 3.82Å; Q57-K65 HydrophobicContact CG-CD 4.45Å; I58-K65 WeakPolarHBondContact O-CA 3.45Å
66I85Confident83.4Confident24 Ų2476.1 Ų76.112%0.12340%0.4CS..EExtended strand (participates in β ladder)trans-141.4153.1-172.159.9-175.2000109.9Q57 I58 C60 L64 H74Q57-I66 CarbonylContact C-O 3.46Å; Q57-I66 WeakPolarHBondContact CA-O 3.43Å; I58-I66 HydrophobicContact CG1-CG1 4.1Å; I58-I66 PolarHBondContact N-O 3.48Å; I58-I66 PolarHBondContact O-N 2.99Å; I58-I66 VanDerWaalsContact O-O 3.1Å; C60-I66 HydrophobicContact CB-CD1 3.79Å; C60-I66 HydrophobicContact CB-CG1 4.44Å; L64-I66 HydrophobicContact CB-CG2 4.47Å; I66-H74 HydrophobicContact CD1-CB 3.67Å
67E84.6Confident83.2Confident54 Ų5476.1 Ų76.125%0.25240%0.403SS..EExtended strand (participates in β ladder)trans-69.9151.8172-68.5178-156.200111.1H55 N69 Q70 S71H55-E67 IonicContact CE1-OE2 3.03Å; H55-E67 IonicContact CG-OE2 3.83Å; H55-E67 IonicContact ND1-OE2 2.75Å; H55-E67 PolarHBondContact ND1-OE2 3.21Å; E67-N69 WeakPolarHBondContact CB-OD1 3.42Å; E67-N69 PolarHBondContact O-N 2.93Å; E67-N69 PolarHBondContact OE2-ND2 2.79Å; E67-N69 PolarHBondContact OE2-OD1 3.18Å; E67-Q70 PolarHBondContact O-N 3.14Å; E67-Q70 PolarHBondContact OE2-NE2 2.93Å; E67-S71 PolarHBondContact O-N 3.44Å; E67-S71 VanDerWaalsContact O-N 3.08Å
68K85.1Confident82.7Confident83 Ų8376.6 Ų76.636%0.36141%0.405SS..Hα-helixtrans-62.7-40.3-177.5176.6161.8153.3-63.40112.3Q53 E54 T56 I58 Q70 S71Q53-K68 WeakPolarHBondContact O-CB 3.45Å; Q53-K68 WeakPolarHBondContact O-CD 3.42Å; Q53-K68 VanDerWaalsContact O-CE 3.32Å; Q53-K68 WeakPolarHBondContact O-CE 3.33Å; Q53-K68 VanDerWaalsContact O-CG 3.31Å; Q53-K68 WeakPolarHBondContact O-CG 3.41Å; Q53-K68 PolarHBondContact O-NZ 3.03Å; E54-K68 PolarHBondContact O-N 3.37Å; E54-K68 IonicContact OE1-NZ 2.89Å; E54-K68 PolarHBondContact OE1-NZ 3.25Å; T56-K68 PolarHBondContact O-N 3.43Å; I58-K68 HydrophobicContact CG2-CB 4.45Å; K68-Q70 VanDerWaalsContact C-N 3.28Å; K68-Q70 PolarHBondContact O-N 2.76Å; K68-S71 VanDerWaalsContact O-CB 3.29Å; K68-S71 WeakPolarHBondContact O-CB 3.12Å; K68-S71 PolarHBondContact O-N 3.39Å; K68-S71 PolarHBondContact O-OG 3.17Å
69N78.8Confident82.8Confident50 Ų5074 Ų7427%0.26739%0.392SS..Hα-helixtrans-55.3-40.8174.75715.1000113E54 H55 E67 S71E54-N69 HydrophobicContact CB-CB 4.21Å; E54-N69 WeakPolarHBondContact O-CB 3.36Å; E54-N69 VanDerWaalsContact O-CG 3.27Å; E54-N69 PolarHBondContact O-N 3.3Å; H55-N69 PolarHBondContact CE1-ND2 2.93Å; H55-N69 PolarHBondContact ND1-ND2 3.01Å; H55-N69 VanDerWaalsContact ND1-ND2 3.16Å; E67-N69 WeakPolarHBondContact CB-OD1 3.42Å; E67-N69 PolarHBondContact O-N 2.93Å; E67-N69 PolarHBondContact OE2-ND2 2.79Å; E67-N69 PolarHBondContact OE2-OD1 3.18Å; N69-S71 VanDerWaalsContact C-N 3.33Å
70Q79.5Confident82.5Confident105 Ų10572.1 Ų72.149%0.49138%0.381SS..Hα-helixtrans-85.6-6.7-179.8-74.2158.584.300112.3E67 K68 E72 V73 H74E67-Q70 PolarHBondContact O-N 3.14Å; E67-Q70 PolarHBondContact OE2-NE2 2.93Å; K68-Q70 VanDerWaalsContact C-N 3.28Å; K68-Q70 PolarHBondContact O-N 2.76Å; Q70-E72 PolarHBondContact O-N 3.39Å; Q70-V73 PolarHBondContact O-N 3.12Å; Q70-H74 VanDerWaalsContact O-CB 3.31Å; Q70-H74 WeakPolarHBondContact O-CB 3.43Å; Q70-H74 PolarHBondContact O-N 3.31Å
71S83.1Confident82.4Confident15 Ų1575.6 Ų75.611%0.10540%0.396CS..Hα-helixtrans-70.5-31.5-170.471.70000114.6E67 K68 N69 Q75E67-S71 PolarHBondContact O-N 3.44Å; E67-S71 VanDerWaalsContact O-N 3.08Å; K68-S71 VanDerWaalsContact O-CB 3.29Å; K68-S71 WeakPolarHBondContact O-CB 3.12Å; K68-S71 PolarHBondContact O-N 3.39Å; K68-S71 PolarHBondContact O-OG 3.17Å; N69-S71 VanDerWaalsContact C-N 3.33Å; S71-Q75 VanDerWaalsContact O-CB 3.3Å; S71-Q75 WeakPolarHBondContact O-CB 3.46Å; S71-Q75 WeakPolarHBondContact O-CG 3.5Å; S71-Q75 PolarHBondContact O-N 3.1Å; S71-Q75 PolarHBondContact O-NE2 2.88Å
72E83.6Confident82.8Confident153 Ų15369.6 Ų69.672%0.71537%0.368SS*.Hα-helixtrans-73.8-43.4174.3-175175.2-163.600111.2Q70 H74 Q75 S76Q70-E72 PolarHBondContact O-N 3.39Å; E72-H74 VanDerWaalsContact C-N 3.32Å; E72-H74 PolarHBondContact O-N 3.34Å; E72-Q75 PolarHBondContact O-N 3.12Å; E72-S76 WeakPolarHBondContact O-CB 3.41Å; E72-S76 PolarHBondContact O-N 3.19Å; E72-S76 PolarHBondContact O-OG 3.26Å
73V84.4Confident83.1Confident80 Ų8073.1 Ų73.149%0.48538%0.384SS..Hα-helixtrans-60.4-44.4175.2-178.50000110.4Q70 S76 S77Q70-V73 PolarHBondContact O-N 3.12Å; V73-S76 PolarHBondContact O-OG 3.4Å; V73-S77 WeakPolarHBondContact O-CB 3.33Å; V73-S77 PolarHBondContact O-N 3.26Å; V73-S77 PolarHBondContact O-OG 3.18Å
74H85.8Confident83.5Confident8 Ų872.6 Ų72.64%0.03737%0.37CS..Iπ-helixtrans-61.6-53.3175.1-173.576.1000111.3C62 I66 Q70 E72 S76 S77 E78 C79C62-H74 PolarHBondContact SG-NE2 2.86Å; I66-H74 HydrophobicContact CD1-CB 3.67Å; Q70-H74 VanDerWaalsContact O-CB 3.31Å; Q70-H74 WeakPolarHBondContact O-CB 3.43Å; Q70-H74 PolarHBondContact O-N 3.31Å; E72-H74 VanDerWaalsContact C-N 3.32Å; E72-H74 PolarHBondContact O-N 3.34Å; H74-S76 VanDerWaalsContact C-N 3.26Å; H74-S76 PolarHBondContact O-N 3.13Å; H74-S77 PolarHBondContact O-N 3.16Å; H74-E78 IonicContact CE1-OE2 3.79Å; H74-E78 IonicContact CG-OE2 3.74Å; H74-E78 WeakPolarHBondContact ND1-CB 3.26Å; H74-E78 IonicContact ND1-OE2 2.82Å; H74-E78 PolarHBondContact ND1-OE2 3.35Å; H74-E78 PolarHBondContact O-N 3.27Å; H74-C79 WeakPolarHBondContact O-CB 3.42Å; H74-C79 PolarHBondContact O-N 3.09Å
75Q84.5Confident83.8Confident98 Ų9872.1 Ų72.146%0.45837%0.372SS..Iπ-helixtrans-58.4-35.5-178.4-79.217391.200113.4S71 E72 R82S71-Q75 VanDerWaalsContact O-CB 3.3Å; S71-Q75 WeakPolarHBondContact O-CB 3.46Å; S71-Q75 WeakPolarHBondContact O-CG 3.5Å; S71-Q75 PolarHBondContact O-N 3.1Å; S71-Q75 PolarHBondContact O-NE2 2.88Å; E72-Q75 PolarHBondContact O-N 3.12Å; Q75-R82 VanDerWaalsContact O-CB 3.27Å; Q75-R82 WeakPolarHBondContact O-CB 3.5Å
76S80.5Confident84.1Confident74 Ų7465.8 Ų65.852%0.51735%0.345SS..Iπ-helixtrans-85-38.3-179.256.80000114.2E72 V73 H74 R82E72-S76 WeakPolarHBondContact O-CB 3.41Å; E72-S76 PolarHBondContact O-N 3.19Å; E72-S76 PolarHBondContact O-OG 3.26Å; V73-S76 PolarHBondContact O-OG 3.4Å; H74-S76 VanDerWaalsContact C-N 3.26Å; H74-S76 PolarHBondContact O-N 3.13Å; S76-R82 VanDerWaalsContact O-CD 3.3Å; S76-R82 WeakPolarHBondContact O-CD 3.49Å; S76-R82 PolarHBondContact O-NH1 3.41Å
77S81.3Confident84Confident59 Ų5968.5 Ų68.541%0.41336%0.364SS..Iπ-helixtrans-114.4-38-167.471.60000115.6V73 H74 R82V73-S77 WeakPolarHBondContact O-CB 3.33Å; V73-S77 PolarHBondContact O-N 3.26Å; V73-S77 PolarHBondContact O-OG 3.18Å; H74-S77 PolarHBondContact O-N 3.16Å; S77-R82 PolarHBondContact O-NH1 2.75Å
78E78.1Confident83.9Confident128 Ų12867.9 Ų67.960%0.59836%0.36SS*.Iπ-helixtrans-106.3-29.2-170.5-58.6-180160.700114.1H74H74-E78 IonicContact CE1-OE2 3.79Å; H74-E78 IonicContact CG-OE2 3.74Å; H74-E78 WeakPolarHBondContact ND1-CB 3.26Å; H74-E78 IonicContact ND1-OE2 2.82Å; H74-E78 PolarHBondContact ND1-OE2 3.35Å; H74-E78 PolarHBondContact O-N 3.27Å
79C87.1Confident83.8Confident6 Ų666.5 Ų66.54%0.04136%0.36CS..  trans-62.7122.1-168.1179.30000110.7H74 Q81 R82H74-C79 WeakPolarHBondContact O-CB 3.42Å; H74-C79 PolarHBondContact O-N 3.09Å; C79-Q81 PolarHBondContact O-N 2.79Å; C79-Q81 PolarHBondContact SG-N 2.73Å; C79-Q81 VanDerWaalsContact SG-N 3.41Å; C79-R82 HydrophobicContact CB-CB 4.34Å; C79-R82 WeakPolarHBondContact O-CB 3.46Å; C79-R82 VanDerWaalsContact O-CG 3.24Å; C79-R82 WeakPolarHBondContact O-CG 3.41Å; C79-R82 PolarHBondContact O-N 3.34Å
80P80.4Confident84Confident53 Ų5371.4 Ų71.434%0.34438%0.381SS..THydrogen-bonded Turntrans-68.3-8.3178.729.6-36.2000112.8C62 S96C62-P80 HydrophobicContact CB-CG 3.98Å; P80-S96 PolarHBondContact O-N 3.08Å
81Q83.3Confident84.3Confident86 Ų8670.8 Ų70.840%0.40238%0.381SS..THydrogen-bonded Turntrans-104.76.8175.3-62.1-60.9-82.900113.9C62 C79 V94 S96C62-Q81 HydrophobicContact CB-CB 4.27Å; C62-Q81 HydrophobicContact CB-CG 3.88Å; C79-Q81 PolarHBondContact O-N 2.79Å; C79-Q81 PolarHBondContact SG-N 2.73Å; C79-Q81 VanDerWaalsContact SG-N 3.41Å; Q81-V94 HydrophobicContact CB-CG1 4.39Å; Q81-S96 PolarHBondContact NE2-OG 2.83Å
82R89.1Confident84.7Confident71 Ų7176.5 Ų76.527%0.26841%0.406SS..  trans-62.1146.8173.774.1-173.5175.8150.5-3.1111Q75 S76 S77 C79 V84 F95Q75-R82 VanDerWaalsContact O-CB 3.27Å; Q75-R82 WeakPolarHBondContact O-CB 3.5Å; S76-R82 VanDerWaalsContact O-CD 3.3Å; S76-R82 WeakPolarHBondContact O-CD 3.49Å; S76-R82 PolarHBondContact O-NH1 3.41Å; S77-R82 PolarHBondContact O-NH1 2.75Å; C79-R82 HydrophobicContact CB-CB 4.34Å; C79-R82 WeakPolarHBondContact O-CB 3.46Å; C79-R82 VanDerWaalsContact O-CG 3.24Å; C79-R82 WeakPolarHBondContact O-CG 3.41Å; C79-R82 PolarHBondContact O-N 3.34Å; R82-V84 HydrophobicContact CG-CG2 4.13Å; R82-F95 HydrophobicContact CG-CB 3.74Å; R82-F95 HydrophobicContact CG-CG 4.32Å; R82-F95 WeakPolarHBondContact O-CB 3.31Å; R82-F95 PolarHBondContact O-N 2.97Å
83L86.3Confident84.8Confident107 Ų10770.5 Ų70.556%0.5638%0.379SS*.EExtended strand (participates in β ladder)trans-84.6136.2174.5-62.8177.1000110.5L93 V94L83-L93 CarbonylContact C-O 3.35Å; L83-L93 WeakPolarHBondContact CA-O 3.36Å; L83-V94 HydrophobicContact CD2-CG2 4.2Å
84V87.9Confident84.9Confident44 Ų4468.1 Ų68.127%0.26736%0.364SS..EExtended strand (participates in β ladder)trans-136.2129.7177.5-176.90000108.3R82 L93 F95R82-V84 HydrophobicContact CG-CG2 4.13Å; V84-L93 PolarHBondContact N-O 3.16Å; V84-L93 PolarHBondContact O-N 3.16Å; V84-F95 HydrophobicContact CG2-CB 4.26Å; V84-F95 HydrophobicContact CG2-CD2 4.02Å
85P88.6Confident85Confident77 Ų7772.2 Ų72.250%0.538%0.382SS..EExtended strand (participates in β ladder)trans-72.5138.5177.829.3-34.5000111.7L91P85-L91 WeakPolarHBondContact CA-O 3.31Å
86C88.8Confident85Confident6 Ų671.1 Ų71.14%0.04139%0.385CS..  trans-65.9129.2174.2176.10000111.3Y88 C89 E90 L91 L93 H101C86-Y88 PolarHBondContact O-N 2.79Å; C86-Y88 PolarHBondContact SG-N 2.86Å; C86-C89 VanDerWaalsContact CB-SG 3.54Å; C86-E90 VanDerWaalsContact O-CA 3.27Å; C86-E90 WeakPolarHBondContact O-CA 3.29Å; C86-E90 PolarHBondContact O-N 3.28Å; C86-L91 PolarHBondContact N-O 2.94Å; C86-L93 HydrophobicContact CB-CD1 4.17Å; C86-H101 VanDerWaalsContact SG-CD2 3.57Å
87P84.1Confident85.2Confident81 Ų8173 Ų7353%0.52639%0.386SS..THydrogen-bonded Turntrans-67.3-11-17928.6-36.6000114.2E102P87-E102 HydrophobicContact CG-CG 4.3Å
88Y82Confident85.6Confident42 Ų4271.2 Ų71.217%0.16537%0.373CS..THydrogen-bonded Turntrans-106-27.5-176.5-54.4-47.9000114.5C86 E102 R122 K124C86-Y88 PolarHBondContact O-N 2.79Å; C86-Y88 PolarHBondContact SG-N 2.86Å; Y88-E102 HydrophobicContact CD2-CG 4.15Å; Y88-E102 HydrophobicContact CE2-CG 3.47Å; Y88-E102 VanDerWaalsContact CE2-CG 3.47Å; Y88-E102 PolarHBondContact OH-OE1 3.24Å; Y88-R122 HydrophobicContact CD1-CB 4.45Å; Y88-R122 HydrophobicContact CE1-CB 3.8Å; Y88-R122 HydrophobicContact CE2-CB 4.28Å; Y88-K124 PolarHBondContact O-NZ 2.92Å
89C83.1Confident86Confident54 Ų5472 Ų7237%0.36538%0.375SS..THydrogen-bonded Turntrans-1363.6-177.370.40000114.8C86 L91 H101C86-C89 VanDerWaalsContact CB-SG 3.54Å; C89-L91 PolarHBondContact O-N 3.15Å; C89-H101 PolarHBondContact SG-NE2 3.5Å
90E83.4Confident86.2Confident153 Ų15379 Ų7972%0.71541%0.407SS*.  trans62.12.5175.7-66.4159-138.200115.8C86 E92C86-E90 VanDerWaalsContact O-CA 3.27Å; C86-E90 WeakPolarHBondContact O-CA 3.29Å; C86-E90 PolarHBondContact O-N 3.28Å; E90-E92 PolarHBondContact O-N 2.61Å
91L85.7Confident86.6Confident92 Ų9278.6 Ų78.648%0.48240%0.401SS..  trans-62.1127.4174.3-175.865.1000111.6P85 C86 C89 L93P85-L91 WeakPolarHBondContact CA-O 3.31Å; C86-L91 PolarHBondContact N-O 2.94Å; C89-L91 PolarHBondContact O-N 3.15Å; L91-L93 HydrophobicContact CD2-CD2 3.93Å; L91-L93 HydrophobicContact CD2-CG 4.33Å; L91-L93 HydrophobicContact CG-CD2 4.15Å; L91-L93 HydrophobicContact CG-CG 4.18Å
92E90.1Very high86.9Confident135 Ų13578.2 Ų78.263%0.63140%0.399SS*.EExtended strand (participates in β ladder)trans-71.8127174.5-62-172144.500111.2E90E90-E92 PolarHBondContact O-N 2.61Å
93L85.8Confident86.9Confident26 Ų2679.6 Ų79.614%0.13641%0.412CS..EExtended strand (participates in β ladder)trans-139.3145.9-172.1-68166.3000112L83 V84 C86 L91 F95 H101L83-L93 CarbonylContact C-O 3.35Å; L83-L93 WeakPolarHBondContact CA-O 3.36Å; V84-L93 PolarHBondContact N-O 3.16Å; V84-L93 PolarHBondContact O-N 3.16Å; C86-L93 HydrophobicContact CB-CD1 4.17Å; L91-L93 HydrophobicContact CD2-CD2 3.93Å; L91-L93 HydrophobicContact CD2-CG 4.33Å; L91-L93 HydrophobicContact CG-CD2 4.15Å; L91-L93 HydrophobicContact CG-CG 4.18Å; L93-F95 PolarHBondContact O-N 3.04Å; L93-H101 HydrophobicContact CD1-CB 3.54Å; L93-H101 WeakPolarHBondContact CD1-CD2 3.03Å
94V87.4Confident87.1Confident31 Ų3182.7 Ų82.719%0.18842%0.417CS..EExtended strand (participates in β ladder)trans-59.7127.9173.8-169.60000109.6Q81 L83 S96 Q97 S98Q81-V94 HydrophobicContact CB-CG1 4.39Å; L83-V94 HydrophobicContact CD2-CG2 4.2Å; V94-S96 PolarHBondContact O-N 3.02Å; V94-S96 VanDerWaalsContact O-N 3.09Å; V94-Q97 CarbonylContact O-C 3.5Å; V94-Q97 WeakPolarHBondContact O-CA 3.45Å; V94-Q97 PolarHBondContact O-N 3.37Å; V94-S98 PolarHBondContact O-N 3.43Å
95F87.5Confident87.1Confident94 Ų9480.9 Ų80.941%0.41241%0.406SS..Hα-helixtrans-56-29.7-174.5179.7-108.8000114.3R82 V84 L93 Q97 S98R82-F95 HydrophobicContact CG-CB 3.74Å; R82-F95 HydrophobicContact CG-CG 4.32Å; R82-F95 WeakPolarHBondContact O-CB 3.31Å; R82-F95 PolarHBondContact O-N 2.97Å; V84-F95 HydrophobicContact CG2-CB 4.26Å; V84-F95 HydrophobicContact CG2-CD2 4.02Å; L93-F95 PolarHBondContact O-N 3.04Å; F95-Q97 PolarHBondContact O-N 3.05Å; F95-S98 PolarHBondContact O-OG 2.82Å
96S85.1Confident87Confident75 Ų7577.2 Ų77.252%0.52438%0.383SS..Hα-helixtrans-66.6-21.217361.70000114.6P80 Q81 V94P80-S96 PolarHBondContact O-N 3.08Å; Q81-S96 PolarHBondContact NE2-OG 2.83Å; V94-S96 PolarHBondContact O-N 3.02Å; V94-S96 VanDerWaalsContact O-N 3.09Å
97Q84.6Confident86.9Confident112 Ų11280.8 Ų80.852%0.52340%0.404SS..Hα-helixtrans-112.3-18.4-179.1-63.3176.93.900112.8V94 F95 K99 E100 H101V94-Q97 CarbonylContact O-C 3.5Å; V94-Q97 WeakPolarHBondContact O-CA 3.45Å; V94-Q97 PolarHBondContact O-N 3.37Å; F95-Q97 PolarHBondContact O-N 3.05Å; Q97-K99 PolarHBondContact O-N 3.25Å; Q97-K99 VanDerWaalsContact O-N 3.14Å; Q97-E100 PolarHBondContact O-N 3.46Å; Q97-E100 VanDerWaalsContact O-N 3.14Å; Q97-H101 PolarHBondContact O-N 2.66Å; Q97-H101 VanDerWaalsContact O-N 3.1Å
98S88.9Confident87Confident22 Ų2283.6 Ų83.615%0.15440%0.404CS..Hα-helixtrans-59.3-30.7-173.4700000113.1V94 F95 E102V94-S98 PolarHBondContact O-N 3.43Å; F95-S98 PolarHBondContact O-OG 2.82Å; S98-E102 WeakPolarHBondContact O-CB 3.32Å; S98-E102 PolarHBondContact O-N 3.32Å
99K86.9Confident87.3Confident144 Ų14484.9 Ų84.963%0.62642%0.417SS*.Hα-helixtrans-69.1-47.2175.7-173.3-172.1173.4-170.80112.9Q97 H101 E102 D103Q97-K99 PolarHBondContact O-N 3.25Å; Q97-K99 VanDerWaalsContact O-N 3.14Å; K99-H101 PolarHBondContact O-N 2.89Å; K99-E102 WeakPolarHBondContact O-CB 3.43Å; K99-E102 PolarHBondContact O-N 2.86Å; K99-D103 PolarHBondContact O-N 2.8Å
100E90.3Very high87.3Confident155 Ų15586.1 Ų86.172%0.72442%0.417SS*.Hα-helixtrans-61.9-38.5178-178.4175.8-168.100110.5Q97 Y104Q97-E100 PolarHBondContact O-N 3.46Å; Q97-E100 VanDerWaalsContact O-N 3.14Å; E100-Y104 WeakPolarHBondContact O-CB 3.23Å; E100-Y104 PolarHBondContact O-N 2.97Å
101H90.1Very high87.3Confident44 Ų4483 Ų8320%0.20441%0.41CS..Hα-helixtrans-67.3-38.5170.3-173.4103.5000112.9C86 C89 L93 Q97 K99 Y104 C105C86-H101 VanDerWaalsContact SG-CD2 3.57Å; C89-H101 PolarHBondContact SG-NE2 3.5Å; L93-H101 HydrophobicContact CD1-CB 3.54Å; L93-H101 WeakPolarHBondContact CD1-CD2 3.03Å; Q97-H101 PolarHBondContact O-N 2.66Å; Q97-H101 VanDerWaalsContact O-N 3.1Å; K99-H101 PolarHBondContact O-N 2.89Å; H101-Y104 PolarHBondContact O-N 2.67Å; H101-C105 WeakPolarHBondContact NE2-CB 3.18Å; H101-C105 WeakPolarHBondContact O-CA 3.49Å; H101-C105 WeakPolarHBondContact O-CB 3.43Å; H101-C105 PolarHBondContact O-N 2.79Å
102E89.8Confident87.3Confident78 Ų7879.5 Ų79.536%0.36439%0.393SS..Hα-helixtrans-60.7-45.2176.9-174.2-177167.700111P87 Y88 S98 K99 G106P87-E102 HydrophobicContact CG-CG 4.3Å; Y88-E102 HydrophobicContact CD2-CG 4.15Å; Y88-E102 HydrophobicContact CE2-CG 3.47Å; Y88-E102 VanDerWaalsContact CE2-CG 3.47Å; Y88-E102 PolarHBondContact OH-OE1 3.24Å; S98-E102 WeakPolarHBondContact O-CB 3.32Å; S98-E102 PolarHBondContact O-N 3.32Å; K99-E102 WeakPolarHBondContact O-CB 3.43Å; K99-E102 PolarHBondContact O-N 2.86Å; E102-G106 WeakPolarHBondContact O-CA 3.21Å; E102-G106 PolarHBondContact O-N 3.4Å
103D89.1Confident86.8Confident100 Ų10078.7 Ų78.754%0.53540%0.4SS..Hα-helixtrans-62.1-48.9175.8-74.9-42.5000111K99 T107K99-D103 PolarHBondContact O-N 2.8Å; D103-T107 WeakPolarHBondContact O-CG2 3.18Å; D103-T107 PolarHBondContact O-N 3.43Å
104Y89.4Confident86.4Confident172 Ų17284 Ų8468%0.67543%0.428SS*.Hα-helixtrans-63.5-53.9177.4175.3-110.4000112.7E100 H101 G106 T107 R108E100-Y104 WeakPolarHBondContact O-CB 3.23Å; E100-Y104 PolarHBondContact O-N 2.97Å; H101-Y104 PolarHBondContact O-N 2.67Å; Y104-G106 VanDerWaalsContact C-N 3.3Å; Y104-G106 PolarHBondContact O-N 3.35Å; Y104-T107 PolarHBondContact O-N 2.89Å; Y104-T107 PolarHBondContact O-OG1 2.92Å; Y104-R108 PolarHBondContact O-N 3.32Å
105C89Confident86.1Confident5 Ų584.5 Ų84.53%0.03443%0.432CS..Hα-helixtrans-65.7-32.7-177.6-164.90000112H101 T107 R108 L121H101-C105 WeakPolarHBondContact NE2-CB 3.18Å; H101-C105 WeakPolarHBondContact O-CA 3.49Å; H101-C105 WeakPolarHBondContact O-CB 3.43Å; H101-C105 PolarHBondContact O-N 2.79Å; C105-T107 VanDerWaalsContact C-N 3.25Å; C105-T107 PolarHBondContact O-N 2.86Å; C105-R108 WeakPolarHBondContact O-CB 3.41Å; C105-R108 PolarHBondContact O-N 2.96Å; C105-L121 VanDerWaalsContact O-CB 3.23Å; C105-L121 WeakPolarHBondContact O-CB 3.45Å
106G86.1Confident85.8Confident1 Ų188.3 Ų88.31%0.0145%0.449CS..Hα-helixtrans-64-28.1172.300000113.6E102 Y104 R122E102-G106 WeakPolarHBondContact O-CA 3.21Å; E102-G106 PolarHBondContact O-N 3.4Å; Y104-G106 VanDerWaalsContact C-N 3.3Å; Y104-G106 PolarHBondContact O-N 3.35Å; G106-R122 WeakPolarHBondContact O-CD 3.42Å; G106-R122 WeakPolarHBondContact O-CG 3.43Å; G106-R122 PolarHBondContact O-N 3.42Å
107T86.4Confident85.5Confident80 Ų8087.8 Ų87.849%0.49144%0.444SS..Hα-helixtrans-87.7-19175.865.60000114.9D103 Y104 C105 T109 M120D103-T107 WeakPolarHBondContact O-CG2 3.18Å; D103-T107 PolarHBondContact O-N 3.43Å; Y104-T107 PolarHBondContact O-N 2.89Å; Y104-T107 PolarHBondContact O-OG1 2.92Å; C105-T107 VanDerWaalsContact C-N 3.25Å; C105-T107 PolarHBondContact O-N 2.86Å; T107-T109 PolarHBondContact O-N 3.46Å; T107-M120 HydrophobicContact CG2-CE 3.93Å
108R86.6Confident85.5Confident141 Ų14188 Ų8853%0.53245%0.449SS..  trans-52.8135.7170173.5177.6161.2146.7-9109.2Y104 C105 E110 M120 L121Y104-R108 PolarHBondContact O-N 3.32Å; C105-R108 WeakPolarHBondContact O-CB 3.41Å; C105-R108 PolarHBondContact O-N 2.96Å; R108-E110 IonicContact CZ-OE1 3.19Å; R108-E110 IonicContact NE-OE1 2.88Å; R108-E110 PolarHBondContact NE-OE1 3.02Å; R108-E110 IonicContact NH2-OE1 2.67Å; R108-E110 PolarHBondContact NH2-OE1 3.39Å; R108-M120 CarbonylContact O-C 3.4Å; R108-M120 WeakPolarHBondContact O-CA 3.2Å; R108-L121 HydrophobicContact CB-CD2 4.4Å; R108-L121 HydrophobicContact CG-CD1 4.27Å; R108-L121 HydrophobicContact CG-CD2 4.34Å; R108-L121 WeakPolarHBondContact O-CB 3.24Å; R108-L121 PolarHBondContact O-N 2.79Å
109T87.4Confident85.3Confident69 Ų6987.6 Ų87.642%0.42345%0.446SS..EExtended strand (participates in β ladder)trans-109143.9176.959.10000111T107 V119 M120T107-T109 PolarHBondContact O-N 3.46Å; T109-V119 CarbonylContact C-O 3.5Å; T109-V119 WeakPolarHBondContact CA-O 3.26Å; T109-M120 HydrophobicContact CG2-CB 4.43Å; T109-M120 HydrophobicContact CG2-CG 3.73Å
110E83.1Confident85.2Confident79 Ų7983.4 Ų83.437%0.36943%0.429SS..EExtended strand (participates in β ladder)trans-130.1147.5173.7-78.1176.4-170.400110.7R108 C112 V119 L121R108-E110 IonicContact CZ-OE1 3.19Å; R108-E110 IonicContact NE-OE1 2.88Å; R108-E110 PolarHBondContact NE-OE1 3.02Å; R108-E110 IonicContact NH2-OE1 2.67Å; R108-E110 PolarHBondContact NH2-OE1 3.39Å; E110-C112 PolarHBondContact O-N 3.31Å; E110-V119 PolarHBondContact N-O 3.06Å; E110-V119 PolarHBondContact O-N 3.28Å; E110-L121 HydrophobicContact CB-CD1 3.93Å; E110-L121 HydrophobicContact CG-CD1 3.68Å
111P84.1Confident85Confident89 Ų8976.3 Ų76.358%0.57840%0.396SS*.EExtended strand (participates in β ladder)trans-73.6123.8-175.829.1-34.3000110.9
112C84.9Confident84.8Confident18 Ų1880.9 Ų80.912%0.12241%0.412CS..  trans-66.4131.2175.2177.80000110.7E110 N114 C115 K116 C117 V119 C131E110-C112 PolarHBondContact O-N 3.31Å; C112-N114 PolarHBondContact O-N 3.34Å; C112-C115 WeakPolarHBondContact CB-SG 3.38Å; C112-K116 WeakPolarHBondContact O-CA 3.46Å; C112-K116 PolarHBondContact O-N 2.99Å; C112-C117 PolarHBondContact N-O 2.85Å; C112-V119 HydrophobicContact CB-CG2 3.98Å; C112-C131 VanDerWaalsContact SG-SG 3.61Å
113P80.3Confident84.3Confident118 Ų11881.7 Ų81.777%0.76642%0.415SS*.THydrogen-bonded Turntrans-62.7-26.4-178.624.5-34.8000113.7
114N77.9Confident83.9Confident138 Ų13881.5 Ų81.574%0.73841%0.41SS*.THydrogen-bonded Turntrans-88.2-46.3-174.8-65-16.8000113C112C112-N114 PolarHBondContact O-N 3.34Å
115C81.4Confident83.4Confident40 Ų4077.4 Ų77.427%0.2741%0.411SS..THydrogen-bonded Turntrans-105.4-10.4-176.2710000114.3C112 C117 H127C112-C115 WeakPolarHBondContact CB-SG 3.38Å; C115-C117 PolarHBondContact O-N 2.84Å; C115-H127 PolarHBondContact SG-NE2 3.04Å
116K80.3Confident83Confident174 Ų17481.3 Ų81.376%0.75744%0.435SS*.  trans59.42.5-175.9-56.6-177.7-178.6179.40116.1C112C112-K116 WeakPolarHBondContact O-CA 3.46Å; C112-K116 PolarHBondContact O-N 2.99Å
117C78.8Confident82.7Confident65 Ų6583.1 Ų83.144%0.43944%0.443SS..  trans-67.5146.7168.1-55.90000110.4C112 C115C112-C117 PolarHBondContact N-O 2.85Å; C115-C117 PolarHBondContact O-N 2.84Å
118N84.8Confident82.3Confident115 Ų11583.6 Ų83.662%0.61545%0.447SS*.EExtended strand (participates in β ladder)trans-75.9127.2171-66.7-31.6000109.4
119V84.3Confident81.8Confident14 Ų1482.7 Ų82.79%0.08546%0.457CS..EExtended strand (participates in β ladder)trans-122.3134.8-174.5-179.30000109T109 E110 C112 E123 H127T109-V119 CarbonylContact C-O 3.5Å; T109-V119 WeakPolarHBondContact CA-O 3.26Å; E110-V119 PolarHBondContact N-O 3.06Å; E110-V119 PolarHBondContact O-N 3.28Å; C112-V119 HydrophobicContact CB-CG2 3.98Å; V119-E123 HydrophobicContact CG1-CB 4.25Å; V119-H127 HydrophobicContact CG1-CB 3.65Å; V119-H127 HydrophobicContact CG2-CB 4.47Å; V119-H127 WeakPolarHBondContact CG2-ND1 3.3Å
120M86.2Confident80.9Confident57 Ų5784.1 Ų84.128%0.28146%0.462SS..EExtended strand (participates in β ladder)trans-64.1140.5178.3-66.1174.17500111T107 R108 T109 R122 E123 K124T107-M120 HydrophobicContact CG2-CE 3.93Å; R108-M120 CarbonylContact O-C 3.4Å; R108-M120 WeakPolarHBondContact O-CA 3.2Å; T109-M120 HydrophobicContact CG2-CB 4.43Å; T109-M120 HydrophobicContact CG2-CG 3.73Å; M120-R122 HydrophobicContact CB-CG 4.3Å; M120-R122 PolarHBondContact O-N 3.37Å; M120-E123 HydrophobicContact CB-CB 4.28Å; M120-E123 HydrophobicContact CB-CG 4.12Å; M120-E123 CarbonylContact O-C 3.59Å; M120-E123 WeakPolarHBondContact O-CA 3.24Å; M120-E123 PolarHBondContact O-N 3.35Å; M120-K124 PolarHBondContact O-N 3.45Å
121L84.9Confident80.4Confident5 Ų582 Ų823%0.02646%0.455CS..THydrogen-bonded Turntrans-60.7-30-176.7-112.164.6000113.2C105 R108 E110 E123 K124C105-L121 VanDerWaalsContact O-CB 3.23Å; C105-L121 WeakPolarHBondContact O-CB 3.45Å; R108-L121 HydrophobicContact CB-CD2 4.4Å; R108-L121 HydrophobicContact CG-CD1 4.27Å; R108-L121 HydrophobicContact CG-CD2 4.34Å; R108-L121 WeakPolarHBondContact O-CB 3.24Å; R108-L121 PolarHBondContact O-N 2.79Å; E110-L121 HydrophobicContact CB-CD1 3.93Å; E110-L121 HydrophobicContact CG-CD1 3.68Å; L121-E123 VanDerWaalsContact C-N 3.3Å; L121-K124 HydrophobicContact CG-CD 4.41Å; L121-K124 WeakPolarHBondContact O-CD 3.17Å; L121-K124 WeakPolarHBondContact O-CG 3.44Å
122R85.4Confident79.5Confident141 Ų14180.6 Ų80.653%0.53246%0.456SS..THydrogen-bonded Turntrans-71.4-21.7171.274.3-160.8-52.7-93.11.9114.3Y88 G106 M120Y88-R122 HydrophobicContact CD1-CB 4.45Å; Y88-R122 HydrophobicContact CE1-CB 3.8Å; Y88-R122 HydrophobicContact CE2-CB 4.28Å; G106-R122 WeakPolarHBondContact O-CD 3.42Å; G106-R122 WeakPolarHBondContact O-CG 3.43Å; G106-R122 PolarHBondContact O-N 3.42Å; M120-R122 HydrophobicContact CB-CG 4.3Å; M120-R122 PolarHBondContact O-N 3.37Å
123E80.8Confident78.3Confident94 Ų9483.7 Ų83.744%0.43948%0.479SS..THydrogen-bonded Turntrans-100-10.1-178.9-60.7-177.7172.200112.6V119 M120 L121 A125 V126 H127V119-E123 HydrophobicContact CG1-CB 4.25Å; M120-E123 HydrophobicContact CB-CB 4.28Å; M120-E123 HydrophobicContact CB-CG 4.12Å; M120-E123 CarbonylContact O-C 3.59Å; M120-E123 WeakPolarHBondContact O-CA 3.24Å; M120-E123 PolarHBondContact O-N 3.35Å; L121-E123 VanDerWaalsContact C-N 3.3Å; E123-A125 PolarHBondContact O-N 2.67Å; E123-V126 PolarHBondContact O-N 2.78Å; E123-H127 PolarHBondContact O-N 3.16Å
124K79.6Confident76.8Confident97 Ų9784 Ų8442%0.42247%0.473SS..THydrogen-bonded Turntrans-52.9-29.1-17982.9-172.7178.9172.70114Y88 M120 L121 P128Y88-K124 PolarHBondContact O-NZ 2.92Å; M120-K124 PolarHBondContact O-N 3.45Å; L121-K124 HydrophobicContact CG-CD 4.41Å; L121-K124 WeakPolarHBondContact O-CD 3.17Å; L121-K124 WeakPolarHBondContact O-CG 3.44Å; K124-P128 VanDerWaalsContact O-CD 3.27Å; K124-P128 WeakPolarHBondContact O-CD 3.19Å
125A80Confident75.3Confident85 Ų8583.2 Ų83.270%0.70247%0.473SS*.THydrogen-bonded Turntrans-80-26178.100000114E123E123-A125 PolarHBondContact O-N 2.67Å
126V79.9Confident73.5Confident88 Ų8886.6 Ų86.653%0.53350%0.495SS..THydrogen-bonded Turntrans-96.4-33-179.1-175.50000111E123 P128 V129E123-V126 PolarHBondContact O-N 2.78Å; V126-P128 VanDerWaalsContact C-N 3.34Å; V126-P128 VanDerWaalsContact O-N 3.17Å; V126-V129 WeakPolarHBondContact O-CB 3.41Å; V126-V129 PolarHBondContact O-N 3.05Å
127H78.8Confident71.7Confident38 Ų3883.1 Ų83.118%0.17649%0.49CS..Hα-helixtrans-50.3-38.9-177.7-176.584.3000115.3C115 V119 E123 V129 L130 C131C115-H127 PolarHBondContact SG-NE2 3.04Å; V119-H127 HydrophobicContact CG1-CB 3.65Å; V119-H127 HydrophobicContact CG2-CB 4.47Å; V119-H127 WeakPolarHBondContact CG2-ND1 3.3Å; E123-H127 PolarHBondContact O-N 3.16Å; H127-V129 PolarHBondContact O-N 2.79Å; H127-L130 CarbonylContact O-C 3.55Å; H127-L130 WeakPolarHBondContact O-CA 3.46Å; H127-L130 PolarHBondContact O-N 3.06Å; H127-C131 PolarHBondContact NE2-SG 3.33Å; H127-C131 VanDerWaalsContact NE2-SG 3.36Å; H127-C131 WeakPolarHBondContact O-CB 3.35Å; H127-C131 PolarHBondContact O-N 2.98Å
128P78.9Confident70Confident90 Ų9088.2 Ų88.258%0.58451%0.507SS*.Hα-helixtrans-54.6-27.9178.1-29.237.4000114.6K124 V126K124-P128 VanDerWaalsContact O-CD 3.27Å; K124-P128 WeakPolarHBondContact O-CD 3.19Å; V126-P128 VanDerWaalsContact C-N 3.34Å; V126-P128 VanDerWaalsContact O-N 3.17Å
129V76.3Confident68Low122 Ų12291.7 Ų91.774%0.73952%0.52SS*.Hα-helixtrans-77.1-23.4177.8-173.20000112.3V126 H127V126-V129 WeakPolarHBondContact O-CB 3.41Å; V126-V129 PolarHBondContact O-N 3.05Å; H127-V129 PolarHBondContact O-N 2.79Å
130L68.8Low66Low100 Ų100102.7 Ų102.752%0.52456%0.56SS.*Hα-helixtrans-109.44.3179.1-56.8177.1000112.4H127 G132 S133H127-L130 CarbonylContact O-C 3.55Å; H127-L130 WeakPolarHBondContact O-CA 3.46Å; H127-L130 PolarHBondContact O-N 3.06Å; L130-G132 PolarHBondContact O-N 3.25Å; L130-G132 VanDerWaalsContact O-N 3.14Å; L130-S133 WeakPolarHBondContact CA-OG 3.25Å; L130-S133 PolarHBondContact O-N 3Å; L130-S133 PolarHBondContact O-OG 3.41Å
131C72.8Confident63.8Low35 Ų35104.6 Ų104.624%0.23657%0.571CS.*THydrogen-bonded Turntrans-72.8110.1-171.9-164.80000109.9C112 H127 S133C112-C131 VanDerWaalsContact SG-SG 3.61Å; H127-C131 PolarHBondContact NE2-SG 3.33Å; H127-C131 VanDerWaalsContact NE2-SG 3.36Å; H127-C131 WeakPolarHBondContact O-CB 3.35Å; H127-C131 PolarHBondContact O-N 2.98Å; C131-S133 VanDerWaalsContact C-N 3.3Å; C131-S133 PolarHBondContact O-N 3.45Å
132G65.6Low61.6Low58 Ų58111.2 Ų111.260%0.59861%0.607SS**THydrogen-bonded Turntrans80.7-1.5-174.500000115.2L130 L134L130-G132 PolarHBondContact O-N 3.25Å; L130-G132 VanDerWaalsContact O-N 3.14Å; G132-L134 VanDerWaalsContact C-N 3.27Å
133S58Low59.3Low84 Ų84111.2 Ų111.259%0.58762%0.617SS**THydrogen-bonded Turntrans-73.6-24.9169.372.90000111.8L130 C131 T135L130-S133 WeakPolarHBondContact CA-OG 3.25Å; L130-S133 PolarHBondContact O-N 3Å; L130-S133 PolarHBondContact O-OG 3.41Å; C131-S133 VanDerWaalsContact C-N 3.3Å; C131-S133 PolarHBondContact O-N 3.45Å; S133-T135 PolarHBondContact O-N 2.93Å
134L49.1Very low57.4Low125 Ų125116.7 Ų116.765%0.65463%0.634SS**SBendtrans-78.3107.5155.5-63.1178.3000108.6G132G132-L134 VanDerWaalsContact C-N 3.27Å
135T47.4Very low55.2Low120 Ų120119.9 Ų119.974%0.73665%0.652SS**  trans-47.8138.7144.948.40000107.9S133 P137S133-T135 PolarHBondContact O-N 2.93Å; T135-P137 VanDerWaalsContact O-N 3.14Å
136P43.7Very low52.9Low112 Ų112119.4 Ų119.473%0.72766%0.656SS**  trans-47.9125.6-175.5-28.634.3000110.6Q138P136-Q138 PolarHBondContact O-N 3.45Å
137P42.3Very low50.4Low100 Ų100121.7 Ų121.765%0.64967%0.674SS**  trans-51.9110171.1-26.635.4000107.2T135 E139T135-P137 VanDerWaalsContact O-N 3.14Å; P137-E139 PolarHBondContact O-N 3.06Å; P137-E139 VanDerWaalsContact O-N 3.09Å
138Q42Very low48.1Very low173 Ų173123.2 Ų123.281%0.80870%0.7SS**  trans-50.8121.6-166.8177.5-178.52.300108.6P136 R140P136-Q138 PolarHBondContact O-N 3.45Å; Q138-R140 PolarHBondContact O-N 3.03Å
139E43.4Very low46Very low188 Ų188128 Ų12888%0.87971%0.714SS**  trans-58.995.5170.4-78-164.5136.300107.6P137 N141P137-E139 PolarHBondContact O-N 3.06Å; P137-E139 VanDerWaalsContact O-N 3.09Å; E139-N141 PolarHBondContact O-N 2.85Å
140R41.8Very low43.7Very low244 Ų244128.9 Ų128.992%0.92172%0.72SS**  trans-78.664.2169.6-166.6171.3-178.5152.82.2107.9Q138Q138-R140 PolarHBondContact O-N 3.03Å
141N40.8Very low42.2Very low98 Ų98133.7 Ų133.752%0.52474%0.74SS.*  trans-2.6125.8166.6167.561.7000114.9E139 N143E139-N141 PolarHBondContact O-N 2.85Å; N141-N143 PolarHBondContact OD1-N 3.02Å
142N38.4Very low40.1Very low144 Ų144137.3 Ų137.377%0.7777%0.766SS**SBend-139.5110.3119.5-86-42.7000110.6
143N37.7Very low38.5Very low140 Ų140146 Ų14675%0.74978%0.78SS**SBendtrans104.159.5157-53-30.7000119.6N141N141-N143 PolarHBondContact OD1-N 3.02Å
144R39.2Very low37.2Very low209 Ų209147.1 Ų147.179%0.78979%0.789SS**  58.194.4108.1-168.6-161.5-151.7-150.66.3118.6
145M34Very low36.6Very low165 Ų165145.9 Ų145.981%0.81379%0.79SS**  -155.7137.1104.1-159.359.270.900110.4
146G32.9Very low36.1Very low75 Ų75146.6 Ų146.677%0.77379%0.789SS**  trans-100.3156.7-170.700000114.5
147C26.2Very low35.6Very low135 Ų135149.5 Ų149.591%0.91280%0.799SS**  trans-102122.8163.2-1760000109.3
148G30.6Very low35.5Very low70 Ų70154.8 Ų154.872%0.72281%0.806SS**  trans-156.5130.6175.600000108.8
149Q34.6Very low35.2Very low191 Ų191154.1 Ų154.189%0.89380%0.801SS**  trans-85.2133.8-167.6-66.1178.8-10.900112.9
150T28.5Very low34.7Very low141 Ų141154.6 Ų154.687%0.86580%0.803SS**  trans-146.2131.8148.928.10000108.2
151E36.9Very low34.5Very low201 Ų201145.9 Ų145.994%0.93978%0.783SS**  trans-76.9130.8178.9-58178.4122.200111.1
152S29.5Very low34.2Very low110 Ų110149.6 Ų149.677%0.76980%0.797SS**  trans167.297.9134.4-176.60000112.7
153R30.8Very low34Very low240 Ų240148.8 Ų148.891%0.90680%0.802SS**  trans50.6106.5134-172.1-169.6-172.1174.93.7120
154S31.7Very low33.9Very low109 Ų109150.4 Ų150.476%0.76281%0.809SS**  -176.6141112.257.90000113.4
155S35.8Very low33.7Very low98 Ų98151.8 Ų151.869%0.68581%0.814SS**  trans43.6123.1155.5-80.20000122
156D37.4Very low34Very low135 Ų135150.9 Ų150.972%0.72281%0.813SS**  50.7102.3119.8-39.9-42.7000118.7
157D33.8Very low34.5Very low173 Ų173152.4 Ų152.493%0.92581%0.809SS**  -165.1153.4108.4-99.1-29.2000111.6
158W40Very low34.6Very low212 Ų212153.9 Ų153.980%0.80381%0.807SS**  trans-145.3123.8-165.6163.9-94.3000112.2
159F34.3Very low34.7Very low159 Ų159162 Ų16270%0.69782%0.816SS**  trans59.1120.5-176.2-68.8-49.5000118.4
160E34.1Very low34.5Very low198 Ų198157.2 Ų157.293%0.92581%0.809SS**  trans-136.2111.1142.9-176.776.6-98.200106.2
161A36.4Very low34.6Very low60 Ų60157.8 Ų157.850%0.49680%0.802SS.*  trans-144.9129.1-170.100000113.2
162H34.7Very low34.2Very low177 Ų177156.4 Ų156.482%0.81980%0.795SS**  trans68.7123.7168.9-48.9-69.5000118.8
163S33.9Very low34.3Very low126 Ų126154.9 Ų154.988%0.88180%0.797SS**  trans-153.689.2143.4-87.90000110.6
164I36Very low34.3Very low175 Ų175150 Ų15090%0.89779%0.794SS**  trans-102.4116.7162.1-62179.8000106.6
165R36.6Very low34.8Very low237 Ų237150.3 Ų150.389%0.89479%0.793SS**  trans-99.3111.5-168.2-165.4179.1-170178.63.7111.2
166N38.7Very low34.7Very low147 Ų147155 Ų15579%0.78680%0.801SS**  trans-91.6129.8172.2-175.117.8000110.7
167P43.4Very low34.4Very low107 Ų107155.7 Ų155.770%0.69581%0.805SS**  trans-118.2122173.335.3-22.1000113.5
168L29.8Very low34.2Very low165 Ų165154.4 Ų154.486%0.86480%0.798SS**  trans-130.8143.1159-82.3176.6000110.8
169R32.3Very low33.8Very low242 Ų242151 Ų15191%0.91380%0.796SS**  trans93.1122.7152.2-152.1174.9-139.9-109.11.9120
170A29.9Very low33.5Very low90 Ų90150.4 Ų150.474%0.74480%0.798SS**  trans67157156.100000118.2
171Q29.7Very low33.3Very low153 Ų153145.9 Ų145.972%0.71579%0.789SS**  cis-145.7158.75.1-154.3175.3-13.100112.3
172E29.7Very low32.8Very low171 Ų171147.5 Ų147.580%0.79980%0.802SS**  trans19.9132.4158.3-74.6145.6-130.700123
173G31.6Very low32.6Very low79 Ų79143.8 Ų143.881%0.81480%0.802SS**  trans171107.1162.500000114.4
174V31.5Very low32.3Very low137 Ų137147.1 Ų147.183%0.8380%0.803SS**  trans-123.8125.1179.4167.30000108.2
175P41.6Very low32.2Very low116 Ų116149.9 Ų149.975%0.75380%0.803SS**  -153141.79737.5-18000118.8
176K33.1Very low32.3Very low196 Ų196143 Ų14385%0.85279%0.789SS**  trans35.8118.5138.4-59177.3180176.30120.3
177N30.4Very low31.8Very low150 Ų150143 Ų14380%0.80278%0.783SS**  -158.8-178.410263.447.7000110.9
178N31.2Very low31Very low145 Ų145146.2 Ų146.278%0.77579%0.787SS**  trans-120.6142.4-178-46.3-35.2000109.5
179N30.8Very low31.1Very low141 Ų141145.5 Ų145.575%0.75478%0.783SS**  164.5147.3114.861.66.9000117.2
180I28Very low31Very low146 Ų146144.7 Ų144.775%0.74978%0.78SS**  trans64.9117.5133.7-71.1168.9000122.3
181S30.3Very low31.2Very low104 Ų104146.3 Ų146.373%0.72778%0.783SS**  trans68.9112.8139.9-67.80000125.1
182A26.4Very low31.1Very low94 Ų94148.9 Ų148.978%0.77779%0.792SS**  73.1150.9111.600000122.7
183A28.9Very low30.9Very low99 Ų99149.6 Ų149.682%0.81880%0.796SS**  trans69.4144.4173.700000115
184E28.6Very low30.8Very low195 Ų195151 Ų15191%0.91180%0.799SS**  cis-128.3170.72.8-67.7-178120.800112.5
185R33.1Very low30.6Very low234 Ų234150.1 Ų150.188%0.88380%0.8SS**  trans-121.1157.7166.7-135.4-169.6173.4164.9-1.6106.3
186P39.5Very low30Very low93 Ų93150.5 Ų150.560%0.60480%0.799SS**  -158.9174.373.444.2-24.6000117.9
187H28.1Very low29.8Very low145 Ų145152 Ų15267%0.67180%0.801SS**  trans65.3143155.7-57-37.9000118.3
188F26.8Very low29.7Very low175 Ų175149.9 Ų149.977%0.76880%0.798SS**  cis-145172.1-2-80.7-52.5000107.2
189L31.7Very low29.4Very low150 Ų150146.4 Ų146.479%0.78580%0.796SS**  cis-155.2-167.1-7.1-124.8172.9000108.4
190R30.6Very low29.5Very low226 Ų226145.3 Ų145.385%0.85380%0.8SS**  trans-142.8164.2156.2-107-165.7178.1-154.11.5110.6
191P34.4Very low29.6Very low124 Ų124144.9 Ų144.981%0.80581%0.81SS**PPolyproline II helixtrans-70.6169.7-177.8-19.834.1000115.3
192F27.2Very low29.5Very low206 Ų206143.1 Ų143.190%0.90481%0.808SS**PPolyproline II helixtrans-89.3152.7177.8-106.7-106.6000113
193E26.3Very low29.7Very low187 Ų187146.5 Ų146.587%0.87481%0.813SS**PPolyproline II helixtrans-102.4161.7153.6-71.9-167.3151.600110.4
194A27.6Very low29.9Very low108 Ų108152.2 Ų152.289%0.89381%0.813SS**PPolyproline II helixtrans-100.9137.2179.300000111.7
195S27.5Very low29.9Very low119 Ų119151.1 Ų151.183%0.83281%0.808SS**  trans-105.3161.9-176.9-167.40000113.3
196V29.3Very low29.7Very low123 Ų123144.7 Ų144.775%0.74581%0.805SS**  trans-70.4153.2-175.2-170.70000112.2
197Y28.7Very low29.1Very low228 Ų228143.8 Ų143.889%0.89481%0.813SS**  trans-126.3145165.3-151.1-87.2000110
198S28.8Very low29.1Very low106 Ų106141.4 Ų141.474%0.74181%0.812SS**  trans-144.9145.8-172.8-71.90000114
199G25.5Very low29Very low71 Ų71143.8 Ų143.873%0.73282%0.817SS**  trans130144.9169.200000113.4
200S32.7Very low28.9Very low119 Ų119145.3 Ų145.383%0.83282%0.817SS**  cis-160.7127.8-7.7-740000111.6
201S29.1Very low28.7Very low137 Ų137140 Ų14096%0.95881%0.814SS**  trans176.6159.5162-79.30000108
202G28.5Very low28.4Very low66 Ų66138 Ų13868%0.6880%0.803SS**  cis168.9142.4-4.300000110.4
203D29.6Very low28.5Very low166 Ų166136.7 Ų136.789%0.88880%0.799SS**  trans63.4-173.8173-65.2-48.4000119.7
204R33.6Very low28.7Very low219 Ų219133.2 Ų133.283%0.82680%0.796SS**  trans-137.9164.1-137.7-70.1172.1153.5-169.7-3.7115.7
205E28.4Very low28.6Very low171 Ų171135.2 Ų135.280%0.79980%0.797SS**  112.7144.7129.5-132.9168.4137.200120.6
206A28.7Very low29.1Very low99 Ų99134.7 Ų134.782%0.81879%0.793SS**  trans63.3112.4156.700000122.9
207G28.7Very low29Very low75 Ų75135.7 Ų135.777%0.77380%0.795SS**  132.4125.7115.500000120.2
208S26.3Very low29.3Very low94 Ų94131.1 Ų131.166%0.65779%0.785SS**  trans56.2106.8152.7-169.50000118.6
209W25.8Very low29.3Very low226 Ų226134.3 Ų134.386%0.85679%0.786SS**  57.4132.485.6-58.3-19.6000114.2
210K28.9Very low29.7Very low182 Ų182137.3 Ų137.379%0.79178%0.784SS**  cis-169.9166.418.535-160.8154.8-173.20112.7
211S26.6Very low29.4Very low113 Ų113135 Ų13579%0.7978%0.779SS**  trans-19.1162.9163.9-55.50000120.1
212S28.6Very low29.6Very low83 Ų83137.1 Ų137.158%0.5877%0.774SS**  cis-166.8170.930.2-141.60000118.1
213H29.4Very low29.6Very low178 Ų178136.9 Ų136.982%0.82477%0.772SS**  trans60.4117.4152.9-59.4-49.6000123.3
214S29.9Very low29.8Very low115 Ų115134.9 Ų134.980%0.80476%0.761SS**  trans-92.3157.7147.8-220000111.1
215T26.7Very low29.5Very low150 Ų150133 Ų13392%0.9276%0.759SS**  trans-148.8144.1153.831.40000110.7
216S36.3Very low29.7Very low107 Ų107130.9 Ų130.975%0.74875%0.753SS**  trans-148.6157.4-178.753.20000111.4
217N28.6Very low29.8Very low145 Ų145134.5 Ų134.578%0.77575%0.752SS**  trans-169144.9164.2-85.4-41.1000107.1
218L35.1Very low29.7Very low131 Ų131134.4 Ų134.469%0.68675%0.751SS**  cis74.7135.137.9-55.8172.5000112.4
219F28.8Very low29.8Very low174 Ų174134.1 Ų134.176%0.76376%0.763SS**  cis-168.3170.8-2.6-126.7-164000107.1
220L32.8Very low30.1Very low133 Ų133129.2 Ų129.270%0.69676%0.763SS**  cis-165.1164-4179.258.5000108.2
221G26.6Very low30.2Very low70 Ų70126 Ų12672%0.72276%0.763SS**  trans-169.8146.7169.400000114.4
222Q34.1Very low30.6Very low182 Ų182125.8 Ų125.885%0.8576%0.762SS**  trans-156.3150.8-164179.5174.2-4.800115.7
223G28Very low30.8Very low62 Ų62128.2 Ų128.264%0.63977%0.773SS**  trans121.9154.815600000115.6
224D34.2Very low31.2Very low124 Ų124130.1 Ų130.166%0.66377%0.773SS**  cis-170.1138.7-22.8-104.9-25.2000110.3
225F27.3Very low31.5Very low180 Ų180130.4 Ų130.479%0.78977%0.772SS**  trans56.7140.7152.5-71.6-123.5000119
226L32.4Very low32.2Very low126 Ų126127.9 Ų127.966%0.6676%0.758SS**  cis-165.7160.67.1-115178000111.9
227H30.8Very low32Very low175 Ų175130.3 Ų130.381%0.8176%0.763SS**  trans56.7138.9164.7-68.599.4000119.2
228G25.8Very low32.4Very low73 Ų73132.3 Ų132.375%0.75377%0.768SS**  cis169.6172.6-4.600000112.5
229G28.3Very low32.7Very low88 Ų88135.1 Ų135.191%0.90778%0.777SS**  trans94.6132.9178.600000113.6
230S33.4Very low33.3Very low123 Ų123130.9 Ų130.986%0.8677%0.769SS**  trans-130.8139.5-177.11790000110.9
231S31Very low34.2Very low113 Ų113131 Ų13179%0.7978%0.781SS**  trans-149.1146.8155.1-166.50000109.7
232S34.3Very low35.5Very low109 Ų109130.7 Ų130.776%0.76278%0.778SS**  trans-116122.5-177.8169.80000109.2
233V33.8Very low36.3Very low134 Ų134128.4 Ų128.481%0.81277%0.771SS**  trans-131.9137171.7-176.90000107.9
234R36.5Very low38.2Very low218 Ų218130.2 Ų130.282%0.82377%0.766SS**PPolyproline II helixtrans-91.3150.9175.8-64.6176.5177.6172.6-2.7109.7
235P35.9Very low40.1Very low121 Ų121132 Ų13279%0.78677%0.765SS**PPolyproline II helixtrans-66.6138.8164.730.3-33.8000110
236P42.2Very low42.4Very low97 Ų97129.1 Ų129.163%0.6376%0.758SS**PPolyproline II helixtrans-91.4134.6173.134.8-31.6000112.4
237D31.9Very low44.6Very low158 Ų158130.3 Ų130.385%0.84575%0.754SS**  31.392.4122.1-35.3-23.2000117.4E239D237-E239 PolarHBondContact O-N 3.15Å
238E38.1Very low46.9Very low188 Ų188126.5 Ų126.588%0.87974%0.738SS**  trans-86.487.4176.5-74.6-74.1172.200112.8
239E41.4Very low49.2Very low190 Ų190126.7 Ų126.789%0.88872%0.722SS**  trans-150.874.7166.4-167.1167.7-146.300113.3D237D237-E239 PolarHBondContact O-N 3.15Å
240S40Very low51.3Low85 Ų85125.3 Ų125.359%0.59470%0.701SS**  trans-160.553.5163-141.10000115.1G242S240-G242 PolarHBondContact O-N 3.41Å
241S53Low53.2Low135 Ų135123.5 Ų123.594%0.94468%0.682SS**THydrogen-bonded Turntrans-71.970178.4-49.50000112.9
242G52.9Low55.4Low64 Ų64122 Ų12266%0.6667%0.671SS**THydrogen-bonded Turntrans-171.8-7.6179.500000117.9S240S240-G242 PolarHBondContact O-N 3.41Å
243L51.3Low56.9Low134 Ų134123.2 Ų123.270%0.70267%0.668SS**SBendtrans-112.9-12.7-176.9-62.3177.8000114.8
244D67.6Low58Low100 Ų100124.3 Ų124.354%0.53567%0.665SS.*Hα-helixtrans-76.9-35-174.7-173.557.1000113.3Y247 M248D244-Y247 WeakPolarHBondContact O-CB 3.45Å; D244-Y247 PolarHBondContact O-N 2.92Å; D244-M248 PolarHBondContact O-N 3.41Å
245Y73.4Confident58.9Low160 Ų160118.1 Ų118.163%0.62766%0.655SS**Hα-helixtrans-68-43.9-175.2-164.3-106.3000112.8Y247 M248 L249Y245-Y247 VanDerWaalsContact C-N 3.26Å; Y245-Y247 PolarHBondContact O-N 3.26Å; Y245-M248 HydrophobicContact CD2-CE 4.44Å; Y245-M248 PolarHBondContact O-N 3.29Å; Y245-L249 HydrophobicContact CD1-CD1 3.73Å; Y245-L249 HydrophobicContact CD1-CG 4.35Å; Y245-L249 HydrophobicContact CE1-CD1 3.61Å; Y245-L249 HydrophobicContact CE1-CG 4.2Å; Y245-L249 WeakPolarHBondContact O-CB 3.38Å; Y245-L249 WeakPolarHBondContact O-CG 3.4Å; Y245-L249 PolarHBondContact O-N 3.09Å
246D77.3Confident59.8Low121 Ų121119.5 Ų119.565%0.64766%0.656SS**Hα-helixtrans-63.4-32.6173.3-85.711.7000111.7A250D246-A250 VanDerWaalsContact O-CB 3.29Å; D246-A250 WeakPolarHBondContact O-CB 3.18Å; D246-A250 PolarHBondContact O-N 3.35Å
247Y77.9Confident60.6Low150 Ų150118 Ų11859%0.58866%0.657SS**Hα-helixtrans-69.8-44.8176.3-178-114.9000111.9D244 Y245 A250 L251D244-Y247 WeakPolarHBondContact O-CB 3.45Å; D244-Y247 PolarHBondContact O-N 2.92Å; Y245-Y247 VanDerWaalsContact C-N 3.26Å; Y245-Y247 PolarHBondContact O-N 3.26Å; Y247-A250 PolarHBondContact O-N 3.19Å; Y247-L251 HydrophobicContact CD1-CD1 4.21Å; Y247-L251 HydrophobicContact CE1-CD1 3.76Å; Y247-L251 HydrophobicContact CE2-CD1 4.41Å; Y247-L251 HydrophobicContact CE2-CG 4.49Å; Y247-L251 WeakPolarHBondContact O-CG 3.3Å; Y247-L251 PolarHBondContact O-N 2.9Å; Y247-L251 VanDerWaalsContact O-N 3.11Å
248M78.3Confident60.8Low95 Ų95119.8 Ų119.847%0.46866%0.661SS.*Hα-helixtrans-62-42.8173.2-72.7-160.4-72.400112.3D244 Y245 L251 S252D244-M248 PolarHBondContact O-N 3.41Å; Y245-M248 HydrophobicContact CD2-CE 4.44Å; Y245-M248 PolarHBondContact O-N 3.29Å; M248-L251 PolarHBondContact O-N 3.34Å; M248-S252 PolarHBondContact O-N 3Å; M248-S252 PolarHBondContact O-OG 3.33Å; M248-S252 VanDerWaalsContact O-OG 3.11Å
249L73.8Confident61.1Low78 Ų78117 Ų11741%0.40866%0.661SS.*Hα-helixtrans-61.2-43.4175-75.3172.5000112.3Y245 L251 S252 L253Y245-L249 HydrophobicContact CD1-CD1 3.73Å; Y245-L249 HydrophobicContact CD1-CG 4.35Å; Y245-L249 HydrophobicContact CE1-CD1 3.61Å; Y245-L249 HydrophobicContact CE1-CG 4.2Å; Y245-L249 WeakPolarHBondContact O-CB 3.38Å; Y245-L249 WeakPolarHBondContact O-CG 3.4Å; Y245-L249 PolarHBondContact O-N 3.09Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.49Å; L249-S252 PolarHBondContact O-N 3.08Å; L249-L253 WeakPolarHBondContact O-CG 3.49Å; L249-L253 PolarHBondContact O-N 3.17Å; L249-L253 VanDerWaalsContact O-N 3.11Å
250A73Confident61Low58 Ų58112.6 Ų112.648%0.47966%0.658SS.*Hα-helixtrans-62.8-37.7178.700000112.5D246 Y247 L253D246-A250 VanDerWaalsContact O-CB 3.29Å; D246-A250 WeakPolarHBondContact O-CB 3.18Å; D246-A250 PolarHBondContact O-N 3.35Å; Y247-A250 PolarHBondContact O-N 3.19Å; A250-L253 PolarHBondContact O-N 2.91Å
251L73.6Confident60.8Low85 Ų85113.5 Ų113.545%0.44567%0.67SS.*Hα-helixtrans-67.1-40.4174-69.3172000112Y247 M248 L249 L253 Q254Y247-L251 HydrophobicContact CD1-CD1 4.21Å; Y247-L251 HydrophobicContact CE1-CD1 3.76Å; Y247-L251 HydrophobicContact CE2-CD1 4.41Å; Y247-L251 HydrophobicContact CE2-CG 4.49Å; Y247-L251 WeakPolarHBondContact O-CG 3.3Å; Y247-L251 PolarHBondContact O-N 2.9Å; Y247-L251 VanDerWaalsContact O-N 3.11Å; M248-L251 PolarHBondContact O-N 3.34Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.49Å; L251-L253 VanDerWaalsContact C-N 3.28Å; L251-L253 PolarHBondContact O-N 3.29Å; L251-Q254 PolarHBondContact O-N 3.46Å
252S77Confident59.9Low81 Ų81111.1 Ų111.157%0.56667%0.667SS**Hα-helixtrans-64.8-28.4176.9-58.10000113.6M248 L249 Q254 S255M248-S252 PolarHBondContact O-N 3Å; M248-S252 PolarHBondContact O-OG 3.33Å; M248-S252 VanDerWaalsContact O-OG 3.11Å; L249-S252 PolarHBondContact O-N 3.08Å; S252-Q254 VanDerWaalsContact C-N 3.31Å; S252-S255 PolarHBondContact O-OG 3.36Å
253L66.3Low59.1Low136 Ų136111.8 Ų111.871%0.71268%0.675SS**THydrogen-bonded Turntrans-82.2-6176.7-68.9171.3000113.7L249 A250 L251L249-L253 WeakPolarHBondContact O-CG 3.49Å; L249-L253 PolarHBondContact O-N 3.17Å; L249-L253 VanDerWaalsContact O-N 3.11Å; A250-L253 PolarHBondContact O-N 2.91Å; L251-L253 VanDerWaalsContact C-N 3.28Å; L251-L253 PolarHBondContact O-N 3.29Å
254Q56.9Low58.9Low157 Ų157110.3 Ų110.373%0.73468%0.682SS**THydrogen-bonded Turntrans-89-7.7-175.7-159.9164.722.500113.7L251 S252L251-Q254 PolarHBondContact O-N 3.46Å; S252-Q254 VanDerWaalsContact C-N 3.31Å
255S54.8Low57.9Low88 Ų88114.8 Ų114.862%0.61570%0.699SS**SBendtrans-88.7-19.2-177.648.80000115.7S252 G257S252-S255 PolarHBondContact O-OG 3.36Å; S255-G257 PolarHBondContact O-N 2.86Å
256D55.9Low56.5Low150 Ų150113.1 Ų113.180%0.80270%0.701SS**THydrogen-bonded Turntrans-8037.6-173.3-67.6-10.6000113
257G57.8Low55.1Low64 Ų64111.9 Ų111.966%0.6670%0.702SS**THydrogen-bonded Turntrans-130.6-11-155.300000118.3S255S255-G257 PolarHBondContact O-N 2.86Å
258E37Very low53.4Low197 Ų197112.1 Ų112.192%0.92171%0.71SS**  trans-152.9118.3177.6-124164-151.300114.1
259S43.3Very low51.6Low128 Ų128117 Ų11790%0.89572%0.723SS**  trans-102.2109.6179-71.70000112.2
260A39.8Very low50.2Low99 Ų99122.2 Ų122.282%0.81874%0.738SS**  160.7112.4129.100000113.7
261A35.9Very low48.6Very low103 Ų103124.2 Ų124.285%0.85174%0.744SS**  164.3113.912400000113.3
262G33.9Very low47Very low85 Ų85124.8 Ų124.888%0.87675%0.747SS**  trans6193.3140.600000121.2
263G36.3Very low45.4Very low79 Ų79131.7 Ų131.781%0.81476%0.761SS**  104.8112.1120.200000119.9
264A47.7Very low43.9Very low103 Ų103133.6 Ų133.685%0.85177%0.766SS**  trans69.881.114300000120
265E45.3Very low42.9Very low194 Ų194136.5 Ų136.591%0.90777%0.77SS**  trans-149.342.3154.354.1-172.4-167.800115.8
266D44.7Very low42.1Very low125 Ų125141.6 Ų141.667%0.66878%0.784SS**  trans-101.488.5163.7-17927.4000111.3
267S47.7Very low41Very low95 Ų95140.3 Ų140.366%0.66478%0.777SS**  trans-160.30.3171.3-79.10000115
268M41.6Very low39.8Very low154 Ų154145.1 Ų145.176%0.75978%0.78SS**SBendtrans-90.5-24.1-169.5-142.4166.4-167.800114.6T271M268-T271 PolarHBondContact O-OG1 3.38Å
269W41.2Very low39.5Very low197 Ų197144 Ų14475%0.74677%0.772SS**SBendtrans-91.4-17.8-177.2-66110.5000114.6I272W269-I272 HydrophobicContact CE3-CD1 3.82Å; W269-I272 HydrophobicContact CZ3-CD1 3.94Å
270R43.5Very low38.8Very low188 Ų188144.4 Ų144.471%0.70977%0.769SS**Hα-helixtrans-78.4-28.2-179.2-158.5176.7-58-170.45.2113.3
271T40.1Very low38.3Very low100 Ų100146.3 Ų146.361%0.61377%0.766SS**Hα-helixtrans-85.3-3.3-174.742.80000114.7M268M268-T271 PolarHBondContact O-OG1 3.38Å
272I41Very low38Very low98 Ų98146.3 Ų146.350%0.50376%0.76SS.*Hα-helixtrans-84.8-37.5178.1-64.6173.5000111.1W269W269-I272 HydrophobicContact CE3-CD1 3.82Å; W269-I272 HydrophobicContact CZ3-CD1 3.94Å
273W42.4Very low37.7Very low225 Ų225147.6 Ų147.685%0.85276%0.755SS**Hα-helixtrans-84.7-15.4-172.9-65.6105000115.2R275W273-R275 VanDerWaalsContact C-N 3.3Å; W273-R275 PolarHBondContact O-N 3.24Å
274E36Very low37.4Very low176 Ų176148.6 Ų148.682%0.82276%0.756SS**THydrogen-bonded Turntrans-89.321.5175.1-67.3-166.3147.500113.7
275R34.5Very low36.6Very low219 Ų219151.2 Ų151.283%0.82676%0.755SS**  trans-12416.7-172.7-136.1-173.3-174.8162.86.8118.5W273W273-R275 VanDerWaalsContact C-N 3.3Å; W273-R275 PolarHBondContact O-N 3.24Å
276E38.8Very low35.8Very low195 Ų195146.7 Ų146.791%0.91174%0.741SS**  trans-124.272.1164.4-70.2-148120.300112.8
277D31.8Very low35.1Very low122 Ų122150 Ų15065%0.65275%0.75SS**  trans-150.4136.5151.6-151.7-6.3000113.6
278K33.6Very low34.8Very low166 Ų166151 Ų15172%0.72275%0.754SS**  trans45107.4169.9-69.9151.9-16873.90119.2
279K30.5Very low34.3Very low174 Ų174151.8 Ų151.876%0.75776%0.761SS**  -153.9113.7108.1-153.269.8175.7-177.90116
280T28.4Very low33.7Very low135 Ų135146.1 Ų146.183%0.82876%0.756SS**  trans-116.7160.9141.747.60000108.8
281N29.8Very low33.2Very low139 Ų139145.6 Ų145.674%0.74376%0.761SS**  trans-97.9162.5-179.6-54.5-47.7000109.2
282S28.3Very low32.8Very low104 Ų104147.6 Ų147.673%0.72777%0.768SS**  cis-159.9171.815.5-174.90000111.2
283S27.8Very low32.5Very low111 Ų111151.3 Ų151.378%0.77678%0.78SS**  trans83118.9148.3-50.60000119.9
284A31.2Very low31.9Very low101 Ų101146.5 Ų146.584%0.83577%0.771SS**  trans173.4156.4142.700000110.6
285N29.5Very low31.7Very low157 Ų157142.7 Ų142.784%0.8476%0.76SS**  trans-91.9131.4-166.2-70.1-30.1000115.5
286T29.3Very low31.5Very low100 Ų100139.6 Ų139.661%0.61376%0.76SS**  45.8136.9122.4-22.40000123.2
287F29.2Very low31.2Very low194 Ų194135.6 Ų135.685%0.85175%0.754SS**  trans107.3143.8152-64.1-63000118.5
288P42.3Very low31.8Very low115 Ų115135.6 Ų135.675%0.74776%0.76SS**  trans-113.9177.9-163.943.7-34.4000114.3
289L30.6Very low31.7Very low172 Ų172136.5 Ų136.590%0.90177%0.767SS**  trans-120.6151.6160.3-166.759.6000110.2
290A30.3Very low31.7Very low77 Ų77131.5 Ų131.564%0.63677%0.765SS**  trans-124.7-171.4-169.500000112.5
291H32.3Very low31.9Very low178 Ų178131.3 Ų131.382%0.82476%0.764SS**  trans102.4140.2179.7-61.9-65.5000114.8
292N31.8Very low32.1Very low141 Ų141130.4 Ų130.475%0.75477%0.768SS**  cis-156.3175.2-24.8-1591.3000109.8
293K34Very low32.3Very low177 Ų177129.9 Ų129.977%0.7777%0.77SS**  trans-70.2171.2173.9-51.6179.5179.8177.40111.2
294N29.8Very low32.6Very low124 Ų124130.5 Ų130.566%0.66377%0.769SS**  cis-168.8146.137.2-149.742.6000114
295T31.4Very low32.9Very low95 Ų95134.4 Ų134.458%0.58377%0.77SS**  trans33.3126.6145.4600000122.5
296N31.7Very low33.1Very low154 Ų154131.3 Ų131.382%0.82477%0.766SS**  -178.1152.9102.4-90.9-22.1000113.9
297S32.5Very low33.7Very low112 Ų112132.2 Ų132.278%0.78378%0.776SS**  trans-130.4162164-57.20000108.8
298P44.6Very low34.1Very low121 Ų121125.8 Ų125.879%0.78677%0.765SS**  -144.5-173.599.837.4-20.3000114.8
299E30.9Very low34.7Very low185 Ų185125.6 Ų125.686%0.86476%0.764SS**  trans-71.9164.9-167.2-54.7111.2109.500117.3
300G30.2Very low35.5Very low69 Ų69122.1 Ų122.171%0.71175%0.75SS**  trans-167.216.6178.800000119.8
301T32.5Very low37.2Very low131 Ų131125.5 Ų125.580%0.80476%0.757SS**  trans40115166.754.90000121.6
302S33.3Very low39.4Very low121 Ų121119 Ų11985%0.84673%0.731SS**  trans60.7107.1141.8-56.10000120.7
303A33.4Very low42Very low93 Ų93116.3 Ų116.377%0.76971%0.714SS**  170.7136.191.100000114.4
304V34.5Very low44.5Very low123 Ų123110.9 Ų110.975%0.74569%0.693SS**  trans70.1132.9149.4175.10000120.1
305Q37.3Very low47.4Very low184 Ų184108.4 Ų108.486%0.8668%0.684SS**  trans77.8151.8158.8-82.6159.71200121.7
306A33.2Very low50Low92 Ų92104 Ų10476%0.7666%0.657SS**  trans53.4107.3167.800000118.6G308A306-G308 PolarHBondContact O-N 3.09Å
307S43.1Very low52.6Low118 Ų118104.6 Ų104.683%0.82566%0.655SS**PPolyproline II helixtrans-54.3128.413846.70000108.4
308G37.5Very low55.1Low60 Ų60103.1 Ų103.162%0.61964%0.635SS**PPolyproline II helixtrans-60.5151.4179.100000112A306A306-G308 PolarHBondContact O-N 3.09Å
309P53.1Low57Low110 Ų11098.7 Ų98.771%0.71461%0.606SS**PPolyproline II helixtrans-58.5150.1168.128.7-34.5000109.5
310T49.2Very low59.5Low100 Ų10097.1 Ų97.161%0.61360%0.599SS**PPolyproline II helixtrans-66.4137.4167.738.20000109.2T312T310-T312 WeakPolarHBondContact CB-OG1 3.27Å; T310-T312 PolarHBondContact O-N 3.23Å; T310-T312 PolarHBondContact O-OG1 3.16Å; T310-T312 PolarHBondContact OG1-OG1 3.33Å
311D65.1Low62.1Low147 Ų14798.9 Ų98.979%0.78659%0.588SS**  trans-74.158.7176.1-164.217.4000109.5M313D311-M313 PolarHBondContact O-N 3.3Å
312T79.3Confident64.6Low43 Ų4397.7 Ų97.726%0.26458%0.577SS.*  trans-80.983.9-170.9-39.80000109.5T310 L314 E325T310-T312 WeakPolarHBondContact CB-OG1 3.27Å; T310-T312 PolarHBondContact O-N 3.23Å; T310-T312 PolarHBondContact O-OG1 3.16Å; T310-T312 PolarHBondContact OG1-OG1 3.33Å; T312-L314 HydrophobicContact CG2-CD1 4.45Å; T312-L314 HydrophobicContact CG2-CD2 4.03Å; T312-L314 HydrophobicContact CG2-CG 4.06Å; T312-L314 PolarHBondContact O-N 3.17Å; T312-E325 WeakPolarHBondContact CB-OE2 3.49Å; T312-E325 PolarHBondContact O-N 3.14Å; T312-E325 PolarHBondContact OG1-OE2 3.04Å; T312-E325 VanDerWaalsContact OG1-OE2 3.08Å
313M86.4Confident67.1Low84 Ų8493.8 Ų93.841%0.41454%0.544SS..EExtended strand (participates in β ladder)trans-73.2112.3174.9-64-60.8-61.800110.7D311 L322 F323 P324D311-M313 PolarHBondContact O-N 3.3Å; M313-L322 HydrophobicContact CB-CB 4.42Å; M313-L322 HydrophobicContact CE-CB 3.91Å; M313-L322 VanDerWaalsContact CE-O 3.24Å; M313-L322 WeakPolarHBondContact CE-O 3.39Å; M313-F323 CarbonylContact C-O 3.57Å; M313-F323 WeakPolarHBondContact CA-O 3.46Å; M313-P324 HydrophobicContact CE-CG 4.5Å; M313-P324 HydrophobicContact SD-CB 4.41Å; M313-P324 HydrophobicContact SD-CG 3.91Å
314L86.8Confident69.8Low63 Ų6390.9 Ų90.933%0.3352%0.518SS..EExtended strand (participates in β ladder)trans-112.7141.7-178.4-65.7175.5000111.1T312 L322 F323 E325 L328T312-L314 HydrophobicContact CG2-CD1 4.45Å; T312-L314 HydrophobicContact CG2-CD2 4.03Å; T312-L314 HydrophobicContact CG2-CG 4.06Å; T312-L314 PolarHBondContact O-N 3.17Å; L314-L322 CarbonylContact O-C 3.59Å; L314-L322 WeakPolarHBondContact O-CA 3.35Å; L314-F323 PolarHBondContact N-O 2.96Å; L314-F323 PolarHBondContact O-N 3.4Å; L314-E325 HydrophobicContact CD1-CB 4.47Å; L314-E325 HydrophobicContact CD1-CG 4.3Å; L314-L328 HydrophobicContact CB-CD1 4.37Å; L314-L328 HydrophobicContact CB-CD2 3.89Å; L314-L328 HydrophobicContact CD1-CD2 3.94Å
315P89.9Confident72.4Confident72 Ų7290 Ų9047%0.46851%0.506SS..EExtended strand (participates in β ladder)trans-77.3134.6175.931-32.8000111.1E321 L322P315-E321 WeakPolarHBondContact CA-O 3.43Å; P315-L322 HydrophobicContact CB-CD2 4Å; P315-L322 HydrophobicContact CG-CD2 4.47Å
316C85.9Confident74.6Confident2 Ų287.4 Ų87.41%0.01449%0.493CS..  trans-65.7130.6170.4165.40000111.3F318 C319 E320 E321 F323 L328 H331C316-F318 PolarHBondContact O-N 2.84Å; C316-F318 PolarHBondContact SG-N 2.92Å; C316-F318 VanDerWaalsContact SG-N 3.39Å; C316-C319 VanDerWaalsContact CB-SG 3.56Å; C316-C319 PolarHBondContact O-N 3.31Å; C316-E320 PolarHBondContact O-N 2.91Å; C316-E321 PolarHBondContact N-O 3.11Å; C316-F323 HydrophobicContact CB-CD2 3.94Å; C316-F323 HydrophobicContact CB-CE2 3.96Å; C316-L328 HydrophobicContact CB-CD1 4.17Å; C316-H331 PolarHBondContact SG-CD2 2.82Å
317E86.6Confident77Confident166 Ų16687 Ų8778%0.77648%0.478SS*.THydrogen-bonded Turntrans-57.7-20.5-179.2-64.4-165.3152.600114.4
318F84.8Confident79Confident82 Ų8282.3 Ų82.336%0.3644%0.444SS..THydrogen-bonded Turntrans-99.8-26.3-176.8-59.9-69.2000115.1C316 E332 C335 P337 A340C316-F318 PolarHBondContact O-N 2.84Å; C316-F318 PolarHBondContact SG-N 2.92Å; C316-F318 VanDerWaalsContact SG-N 3.39Å; F318-E332 HydrophobicContact CD2-CG 4.46Å; F318-E332 HydrophobicContact CE2-CB 4.39Å; F318-C335 HydrophobicContact CB-CB 4.2Å; F318-C335 HydrophobicContact CD2-CB 4.28Å; F318-P337 HydrophobicContact CD1-CG 3.92Å; F318-P337 HydrophobicContact CE1-CG 4.22Å; F318-A340 WeakPolarHBondContact O-CB 3.19Å
319C84.7Confident81.2Confident27 Ų2785 Ų8518%0.18244%0.443CS..THydrogen-bonded Turntrans-132.9-3.6-172.268.20000115.3C316 E321 H331C316-C319 VanDerWaalsContact CB-SG 3.56Å; C316-C319 PolarHBondContact O-N 3.31Å; C319-E321 PolarHBondContact O-N 2.79Å; C319-H331 PolarHBondContact SG-NE2 3.34Å
320E83.3Confident82.7Confident152 Ų15285.8 Ų85.871%0.7144%0.441SS*.  trans60.11.4-179.1-56.6179.1-173.800115.5C316C316-E320 PolarHBondContact O-N 2.91Å
321E84.5Confident84.5Confident107 Ų10783.5 Ų83.550%0.542%0.423SS..  trans-69.7140.6170.9-66.4-174.116500110.4P315 C316 C319 F323P315-E321 WeakPolarHBondContact CA-O 3.43Å; C316-E321 PolarHBondContact N-O 3.11Å; C319-E321 PolarHBondContact O-N 2.79Å; E321-F323 HydrophobicContact CB-CE2 3.67Å; E321-F323 HydrophobicContact CB-CZ 3.9Å; E321-F323 VanDerWaalsContact O-CD2 3.26Å; E321-F323 WeakPolarHBondContact O-CD2 3.5Å; E321-F323 WeakPolarHBondContact O-CE2 3.45Å
322L85.9Confident85.5Confident106 Ų10678.8 Ų78.856%0.55540%0.396SS*.EExtended strand (participates in β ladder)trans-83.7125.2-177.9-65.9173.7000111.1M313 L314 P315M313-L322 HydrophobicContact CB-CB 4.42Å; M313-L322 HydrophobicContact CE-CB 3.91Å; M313-L322 VanDerWaalsContact CE-O 3.24Å; M313-L322 WeakPolarHBondContact CE-O 3.39Å; L314-L322 CarbonylContact O-C 3.59Å; L314-L322 WeakPolarHBondContact O-CA 3.35Å; P315-L322 HydrophobicContact CB-CD2 4Å; P315-L322 HydrophobicContact CG-CD2 4.47Å
323F84.6Confident85.5Confident39 Ų3982.3 Ų82.317%0.17142%0.417CS..EExtended strand (participates in β ladder)trans-122.5153174.6-62.8-80.5000111.1M313 L314 C316 E321 L328 H331M313-F323 CarbonylContact C-O 3.57Å; M313-F323 WeakPolarHBondContact CA-O 3.46Å; L314-F323 PolarHBondContact N-O 2.96Å; L314-F323 PolarHBondContact O-N 3.4Å; C316-F323 HydrophobicContact CB-CD2 3.94Å; C316-F323 HydrophobicContact CB-CE2 3.96Å; E321-F323 HydrophobicContact CB-CE2 3.67Å; E321-F323 HydrophobicContact CB-CZ 3.9Å; E321-F323 VanDerWaalsContact O-CD2 3.26Å; E321-F323 WeakPolarHBondContact O-CD2 3.5Å; E321-F323 WeakPolarHBondContact O-CE2 3.45Å; F323-L328 HydrophobicContact CB-CB 4.48Å; F323-L328 HydrophobicContact CB-CD1 4.25Å; F323-L328 HydrophobicContact CD2-CD1 4.45Å; F323-H331 HydrophobicContact CD2-CB 4.36Å; F323-H331 AromaticContact CE1-ND1 3.58Å; F323-H331 HydrophobicContact CE2-CB 4.46Å; F323-H331 AromaticContact CE2-CD2 3.68Å; F323-H331 AromaticContact CE2-CE1 3.55Å; F323-H331 AromaticContact CE2-CG 3.66Å; F323-H331 AromaticContact CE2-ND1 3.59Å; F323-H331 AromaticContact CE2-NE2 3.64Å; F323-H331 HydrophobicContact CG-CB 4.41Å; F323-H331 AromaticContact CZ-CE1 3.25Å; F323-H331 WeakPolarHBondContact CZ-CE1 3.43Å; F323-H331 AromaticContact CZ-CG 3.76Å; F323-H331 AromaticContact CZ-ND1 3.2Å; F323-H331 WeakPolarHBondContact CZ-ND1 3.37Å; F323-H331 AromaticContact CZ-NE2 3.85Å
324P90.9Very high85.1Confident32 Ų3281.4 Ų81.421%0.20843%0.43CS..EExtended strand (participates in β ladder)trans-58.4150.5166.4-21.232.5000111.6M313 E326 D327 L328M313-P324 HydrophobicContact CE-CG 4.5Å; M313-P324 HydrophobicContact SD-CB 4.41Å; M313-P324 HydrophobicContact SD-CG 3.91Å; P324-E326 HydrophobicContact CB-CG 4.14Å; P324-E326 WeakPolarHBondContact CB-OE2 3.35Å; P324-E326 PolarHBondContact O-N 3.39Å; P324-D327 PolarHBondContact O-N 3.1Å; P324-L328 PolarHBondContact O-N 3.14Å
325E87.8Confident84.9Confident105 Ų10579.2 Ų79.249%0.49142%0.42SS..Hα-helixtrans-54-35.6178.9-170178.7150.600112.6T312 L314T312-E325 WeakPolarHBondContact CB-OE2 3.49Å; T312-E325 PolarHBondContact O-N 3.14Å; T312-E325 PolarHBondContact OG1-OE2 3.04Å; T312-E325 VanDerWaalsContact OG1-OE2 3.08Å; L314-E325 HydrophobicContact CD1-CB 4.47Å; L314-E325 HydrophobicContact CD1-CG 4.3Å
326E83.4Confident84.4Confident129 Ų12978.4 Ų78.460%0.60342%0.416SS*.Hα-helixtrans-71.4-27.417761.3-96.7-122.100114.9P324P324-E326 HydrophobicContact CB-CG 4.14Å; P324-E326 WeakPolarHBondContact CB-OE2 3.35Å; P324-E326 PolarHBondContact O-N 3.39Å
327D83.6Confident83.5Confident82 Ų8282 Ų8244%0.43944%0.439SS..Hα-helixtrans-101.1-21.1-176.1-84.4-26000112.6P324 I329 L330 H331P324-D327 PolarHBondContact O-N 3.1Å; D327-I329 PolarHBondContact O-N 2.82Å; D327-L330 WeakPolarHBondContact O-CB 3.44Å; D327-L330 PolarHBondContact O-N 2.96Å; D327-L330 VanDerWaalsContact O-N 3.11Å; D327-H331 PolarHBondContact O-N 2.82Å
328L85.1Confident82.2Confident20 Ų2077.5 Ų77.511%0.10543%0.431CS..Hα-helixtrans-52-51.5-177.3-175.573.5000112.2L314 C316 F323 P324 L330 H331 E332L314-L328 HydrophobicContact CB-CD1 4.37Å; L314-L328 HydrophobicContact CB-CD2 3.89Å; L314-L328 HydrophobicContact CD1-CD2 3.94Å; C316-L328 HydrophobicContact CB-CD1 4.17Å; F323-L328 HydrophobicContact CB-CB 4.48Å; F323-L328 HydrophobicContact CB-CD1 4.25Å; F323-L328 HydrophobicContact CD2-CD1 4.45Å; P324-L328 PolarHBondContact O-N 3.14Å; L328-L330 VanDerWaalsContact C-N 3.29Å; L328-L330 PolarHBondContact O-N 2.81Å; L328-H331 WeakPolarHBondContact O-CB 3.37Å; L328-H331 PolarHBondContact O-N 2.88Å; L328-H331 VanDerWaalsContact O-N 3.09Å; L328-E332 HydrophobicContact CG-CG 4.43Å; L328-E332 WeakPolarHBondContact O-CG 3.02Å; L328-E332 PolarHBondContact O-N 3.38Å
329I84.4Confident81.1Confident117 Ų11776.3 Ų76.360%0.643%0.432SS*.Hα-helixtrans-65.2-34.8-177.7-57173.6000111.2D327 H331 T333D327-I329 PolarHBondContact O-N 2.82Å; I329-H331 VanDerWaalsContact C-N 3.34Å; I329-T333 WeakPolarHBondContact O-CB 3.45Å; I329-T333 WeakPolarHBondContact O-CG2 3.27Å; I329-T333 PolarHBondContact O-N 3.36Å; I329-T333 VanDerWaalsContact O-N 3.16Å; I329-T333 PolarHBondContact O-OG1 3.37Å
330L85.8Confident79.7Confident127 Ų12775.9 Ų75.967%0.66543%0.431SS*.Hα-helixtrans-71.7-31.4176.2-177.560.5000111.6D327 L328 T333D327-L330 WeakPolarHBondContact O-CB 3.44Å; D327-L330 PolarHBondContact O-N 2.96Å; D327-L330 VanDerWaalsContact O-N 3.11Å; L328-L330 VanDerWaalsContact C-N 3.29Å; L328-L330 PolarHBondContact O-N 2.81Å; L330-T333 PolarHBondContact O-OG1 2.82Å
331H85.8Confident78.4Confident51 Ų5176.3 Ų76.324%0.23643%0.43CS..Hα-helixtrans-73.4-50172.3-17796.2000111.7C316 C319 F323 D327 L328 I329 T333 G334 C335C316-H331 PolarHBondContact SG-CD2 2.82Å; C319-H331 PolarHBondContact SG-NE2 3.34Å; F323-H331 HydrophobicContact CD2-CB 4.36Å; F323-H331 AromaticContact CE1-ND1 3.58Å; F323-H331 HydrophobicContact CE2-CB 4.46Å; F323-H331 AromaticContact CE2-CD2 3.68Å; F323-H331 AromaticContact CE2-CE1 3.55Å; F323-H331 AromaticContact CE2-CG 3.66Å; F323-H331 AromaticContact CE2-ND1 3.59Å; F323-H331 AromaticContact CE2-NE2 3.64Å; F323-H331 HydrophobicContact CG-CB 4.41Å; F323-H331 AromaticContact CZ-CE1 3.25Å; F323-H331 WeakPolarHBondContact CZ-CE1 3.43Å; F323-H331 AromaticContact CZ-CG 3.76Å; F323-H331 AromaticContact CZ-ND1 3.2Å; F323-H331 WeakPolarHBondContact CZ-ND1 3.37Å; F323-H331 AromaticContact CZ-NE2 3.85Å; D327-H331 PolarHBondContact O-N 2.82Å; L328-H331 WeakPolarHBondContact O-CB 3.37Å; L328-H331 PolarHBondContact O-N 2.88Å; L328-H331 VanDerWaalsContact O-N 3.09Å; I329-H331 VanDerWaalsContact C-N 3.34Å; H331-T333 VanDerWaalsContact C-N 3.31Å; H331-T333 PolarHBondContact O-N 3.04Å; H331-G334 CarbonylContact O-C 3.55Å; H331-G334 WeakPolarHBondContact O-CA 3.43Å; H331-G334 PolarHBondContact O-N 3.38Å; H331-C335 WeakPolarHBondContact NE2-CB 3.34Å; H331-C335 PolarHBondContact NE2-SG 2.88Å; H331-C335 WeakPolarHBondContact O-CB 3.47Å; H331-C335 PolarHBondContact O-N 2.86Å
332E86.2Confident76.9Confident48 Ų4874.4 Ų74.422%0.22443%0.433CS..Hα-helixtrans-59.3-39.3-177.9-75173.4166.300112.5F318 L328 G334 C335F318-E332 HydrophobicContact CD2-CG 4.46Å; F318-E332 HydrophobicContact CE2-CB 4.39Å; L328-E332 HydrophobicContact CG-CG 4.43Å; L328-E332 WeakPolarHBondContact O-CG 3.02Å; L328-E332 PolarHBondContact O-N 3.38Å; E332-G334 PolarHBondContact O-N 3.48Å; E332-G334 VanDerWaalsContact O-N 3.17Å; E332-C335 PolarHBondContact O-N 3.07Å
333T80.4Confident75.1Confident117 Ų11772.6 Ų72.672%0.71843%0.429SS*.THydrogen-bonded Turntrans-67.4-11174.750.30000114.3I329 L330 H331I329-T333 WeakPolarHBondContact O-CB 3.45Å; I329-T333 WeakPolarHBondContact O-CG2 3.27Å; I329-T333 PolarHBondContact O-N 3.36Å; I329-T333 VanDerWaalsContact O-N 3.16Å; I329-T333 PolarHBondContact O-OG1 3.37Å; L330-T333 PolarHBondContact O-OG1 2.82Å; H331-T333 VanDerWaalsContact C-N 3.31Å; H331-T333 PolarHBondContact O-N 3.04Å
334G76.3Confident73.4Confident66 Ų6678.4 Ų78.468%0.6846%0.455SS*.THydrogen-bonded Turntrans-114.7-9.9172.600000115.4H331 E332 S336H331-G334 CarbonylContact O-C 3.55Å; H331-G334 WeakPolarHBondContact O-CA 3.43Å; H331-G334 PolarHBondContact O-N 3.38Å; E332-G334 PolarHBondContact O-N 3.48Å; E332-G334 VanDerWaalsContact O-N 3.17Å; G334-S336 PolarHBondContact O-N 3.4Å
335C83.7Confident71.1Confident16 Ų1681.6 Ų81.611%0.10848%0.478CS..  trans-87.9108-171.6-162.80000111.7F318 H331 E332F318-C335 HydrophobicContact CB-CB 4.2Å; F318-C335 HydrophobicContact CD2-CB 4.28Å; H331-C335 WeakPolarHBondContact NE2-CB 3.34Å; H331-C335 PolarHBondContact NE2-SG 2.88Å; H331-C335 WeakPolarHBondContact O-CB 3.47Å; H331-C335 PolarHBondContact O-N 2.86Å; E332-C335 PolarHBondContact O-N 3.07Å
336S79Confident68.9Low55 Ų5585.5 Ų85.539%0.38549%0.493SS..  trans-78.6140.3176.884.90000111.5G334 A338 S339G334-S336 PolarHBondContact O-N 3.4Å; S336-A338 PolarHBondContact O-N 2.79Å; S336-S339 WeakPolarHBondContact O-CB 3.38Å; S336-S339 PolarHBondContact O-N 3.11Å; S336-S339 PolarHBondContact O-OG 3.06Å; S336-S339 PolarHBondContact OG-N 3.06Å; S336-S339 PolarHBondContact OG-OG 3.05Å
337P66.3Low66.6Low77 Ų7788.5 Ų88.550%0.550%0.504SS..Hα-helixtrans-56.1-25.9173.5-2834.8000114.1F318 S339 A340 F341F318-P337 HydrophobicContact CD1-CG 3.92Å; F318-P337 HydrophobicContact CE1-CG 4.22Å; P337-S339 PolarHBondContact O-N 2.73Å; P337-A340 WeakPolarHBondContact O-CB 3.49Å; P337-A340 PolarHBondContact O-N 3.34Å; P337-F341 VanDerWaalsContact O-CD2 3.23Å; P337-F341 WeakPolarHBondContact O-CD2 3.49Å; P337-F341 WeakPolarHBondContact O-CE2 3.34Å
338A60.9Low64.2Low73 Ų7390.8 Ų90.860%0.60352%0.524SS*.Hα-helixtrans-66.5-23.117500000113.3S336S336-A338 PolarHBondContact O-N 2.79Å
339S59.8Low61.8Low57 Ų5795.6 Ų95.640%0.39956%0.559SS.*Hα-helixtrans-66.7-36.7177.6-55.60000112S336 P337 F341 A342S336-S339 WeakPolarHBondContact O-CB 3.38Å; S336-S339 PolarHBondContact O-N 3.11Å; S336-S339 PolarHBondContact O-OG 3.06Å; S336-S339 PolarHBondContact OG-N 3.06Å; S336-S339 PolarHBondContact OG-OG 3.05Å; P337-S339 PolarHBondContact O-N 2.73Å; S339-F341 PolarHBondContact O-N 2.88Å; S339-A342 WeakPolarHBondContact O-CB 3.23Å; S339-A342 PolarHBondContact O-N 2.9Å
340A57Low59.4Low18 Ų1894.9 Ų94.915%0.14956%0.564CS.*Hα-helixtrans-58.3-51.6-177.900000112.1F318 P337 A342 S343 F344F318-A340 WeakPolarHBondContact O-CB 3.19Å; P337-A340 WeakPolarHBondContact O-CB 3.49Å; P337-A340 PolarHBondContact O-N 3.34Å; A340-A342 PolarHBondContact O-N 3Å; A340-A342 VanDerWaalsContact O-N 3.15Å; A340-S343 PolarHBondContact O-N 3.02Å; A340-S343 VanDerWaalsContact O-N 3.16Å; A340-F344 VanDerWaalsContact O-CD2 3.26Å; A340-F344 WeakPolarHBondContact O-CD2 3.5Å
341F54.4Low57.2Low160 Ų16094.6 Ų94.670%0.70257%0.57SS**Hα-helixtrans-63.4-22.1-178.2-59.8-77.4000113.4P337 S339P337-F341 VanDerWaalsContact O-CD2 3.23Å; P337-F341 WeakPolarHBondContact O-CD2 3.49Å; P337-F341 WeakPolarHBondContact O-CE2 3.34Å; S339-F341 PolarHBondContact O-N 2.88Å
342A53.1Low55Low67 Ų6798 Ų9855%0.55460%0.597SS**Hα-helixtrans-74.3-33177.100000113.1S339 A340S339-A342 WeakPolarHBondContact O-CB 3.23Å; S339-A342 PolarHBondContact O-N 2.9Å; A340-A342 PolarHBondContact O-N 3Å; A340-A342 VanDerWaalsContact O-N 3.15Å
343S49.3Very low52.5Low68 Ų68105.7 Ų105.748%0.47663%0.63SS.*Hα-helixtrans-70.2-37.6-175.7-76.60000113.3A340 S345 K346A340-S343 PolarHBondContact O-N 3.02Å; A340-S343 VanDerWaalsContact O-N 3.16Å; S343-S345 PolarHBondContact O-N 3.28Å; S343-S345 VanDerWaalsContact O-N 3.1Å; S343-K346 PolarHBondContact O-N 2.82Å
344F47.6Very low50.2Low161 Ų161107.9 Ų107.971%0.70664%0.637SS**THydrogen-bonded Turntrans-67.3-9.7-178.3-64.4-74.1000114.9A340 K346A340-F344 VanDerWaalsContact O-CD2 3.26Å; A340-F344 WeakPolarHBondContact O-CD2 3.5Å; F344-K346 VanDerWaalsContact C-N 3.29Å; F344-K346 PolarHBondContact O-N 3.19Å
345S44.3Very low48.2Very low100 Ų100110.3 Ų110.370%0.69963%0.634SS**THydrogen-bonded Turntrans-76.8-6.9178.7-71.70000114.9S343 K347S343-S345 PolarHBondContact O-N 3.28Å; S343-S345 VanDerWaalsContact O-N 3.1Å; S345-K347 PolarHBondContact O-N 2.83Å
346K41.7Very low45.9Very low186 Ų186119.4 Ų119.481%0.80967%0.666SS**  trans-85.787.1178.9-77.1170.9-177.8160.70112.3S343 F344S343-K346 PolarHBondContact O-N 2.82Å; F344-K346 VanDerWaalsContact C-N 3.29Å; F344-K346 PolarHBondContact O-N 3.19Å
347K35.1Very low43.8Very low192 Ų192125 Ų12584%0.83569%0.689SS**PPolyproline II helixtrans-55.3142.3167-74.4-177.6176.9176.30111.3S345 S349S345-K347 PolarHBondContact O-N 2.83Å; K347-S349 PolarHBondContact O-N 2.75Å
348P33.3Very low42.2Very low130 Ų130124.5 Ų124.584%0.84470%0.697SS**PPolyproline II helixtrans-68.1131.7179.627.7-34.6000111.6
349S33.3Very low41.2Very low122 Ų122131.5 Ų131.585%0.85371%0.708SS**PPolyproline II helixtrans-91.1137.3173-170.70000111.1K347K347-S349 PolarHBondContact O-N 2.75Å
350S34Very low40.1Very low101 Ų101135.3 Ų135.371%0.70672%0.724SS**PPolyproline II helixtrans-73.6157.8179.949.90000113.7
351P39.7Very low38.9Very low121 Ų121138.9 Ų138.979%0.78675%0.754SS**PPolyproline II helixtrans-68.4162.1-174.527.2-36.2000115
352P40.6Very low38Very low123 Ų123137.8 Ų137.880%0.79976%0.76SS**PPolyproline II helixtrans-85.4160.4-160.534.2-38.2000115.5
353K33.5Very low37.1Very low210 Ų210140.5 Ų140.591%0.91378%0.775SS**  trans-141.3161.9158.2-72-164.7177-178.60110.7
354D32.6Very low36.2Very low162 Ų162140.6 Ų140.687%0.86679%0.787SS**  trans-98.1154.7-150.1-112.3-55.4000117.6
355D32.9Very low35.6Very low118 Ų118141.4 Ų141.463%0.63180%0.798SS**  trans77.9146.6144.9-141.97.2000123.7
356R34.9Very low35Very low206 Ų206144.6 Ų144.678%0.77780%0.803SS**  trans81.385.5156.1-78.4156-156.3-133.8-3.2124.2
357M36.7Very low34.6Very low174 Ų174145 Ų14586%0.85781%0.808SS**  86.6107.9103.2-170.862.267.200121.9
358G31.6Very low34.3Very low66 Ų66142.4 Ų142.468%0.6880%0.803SS**  trans107.9150.7142.500000117.3
359R40.7Very low34.1Very low219 Ų219145.1 Ų145.183%0.82680%0.802SS**  cis-166.2157-10.1-149.5-166.8-66.1178.50.4110.4
360N35.6Very low34.9Very low138 Ų138144 Ų14474%0.73879%0.792SS**  trans89.4127.3160.7-46.8-27.2000120.1
361A32.5Very low34.8Very low93 Ų93145.6 Ų145.677%0.76979%0.793SS**  trans60141.8142.100000120.5
362T34.3Very low34.3Very low137 Ų137145.4 Ų145.484%0.8479%0.79SS**  cis-151.8169.35.8-13.20000112
363S34.2Very low33.9Very low123 Ų123148 Ų14886%0.8680%0.796SS**  trans-54.9159.4177.7-42.50000115.5
364G30.9Very low33.7Very low70 Ų70141.9 Ų141.972%0.72278%0.784SS**  cis156.3-165.4-3.200000113.5
365L34.2Very low33.7Very low179 Ų179139.1 Ų139.194%0.93778%0.777SS**  trans79.8152.9179.5-156.863.8000116.5
366M33.7Very low33.6Very low167 Ų167141.1 Ų141.182%0.82379%0.788SS**  trans-141.8159-173.1-39.6-174.386.100110.4
367Q33.3Very low33.7Very low194 Ų194138.7 Ų138.791%0.90779%0.789SS**  175.9174.1120.7-96.1-179.47.800112.8
368N28.8Very low34.1Very low137 Ų137135.8 Ų135.873%0.73378%0.783SS**  trans-105.3151.3-167.1-74.2-50.5000113.2
369F27.7Very low34.1Very low187 Ų187139 Ų13982%0.8279%0.79SS**  trans32161.3132.3-62.2-57.6000122.7
370P50.2Low33.7Very low99 Ų99138 Ų13864%0.64379%0.792SS**  cis-145-165.2-28.638.3-17.3000115.3
371N32.2Very low34.5Very low135 Ų135136.9 Ų136.972%0.72279%0.792SS**  trans93.9119.5142.2-76.5-2.3000124.8
372T29.9Very low34.5Very low117 Ų117144.5 Ų144.572%0.71880%0.801SS**  trans58.6125.6132.963.60000123.4
373L31.1Very low34.6Very low178 Ų178143 Ų14393%0.93280%0.796SS**  -161.3178.6101.4-135.986.7000112.7
374A29.1Very low34.4Very low81 Ų81144.2 Ų144.267%0.66980%0.798SS**  trans-114.7159.9-151.900000117.9
375S33.9Very low34.5Very low103 Ų103146.2 Ų146.272%0.7280%0.801SS**  trans56132.8143.7-58.30000122.8
376N30.5Very low35Very low161 Ų161143.4 Ų143.486%0.86179%0.793SS**  -178.5151.4114.9-99-72.9000113
377I36.2Very low34.8Very low155 Ų155140 Ų14080%0.79579%0.792SS**  trans-148.5137.9-173.7-64.9178.4000105.6
378P46.3Very low34.6Very low113 Ų113136.2 Ų136.273%0.73479%0.787SS**  -153.6173.56142.1-21.6000118.9
379T30.3Very low34.8Very low133 Ų133140.2 Ų140.282%0.81679%0.793SS**  trans-174.9141.6135.7-76.10000111.6
380F33Very low35Very low199 Ų199136 Ų13687%0.87379%0.786SS**  trans-144172.7169.5-96-78.5000107.3
381P53.4Low34.7Very low114 Ų114136 Ų13674%0.7479%0.786SS**  cis-130.3171.9-7.839.7-24.8000114.8
382R30.6Very low35.2Very low252 Ų252135.4 Ų135.495%0.95179%0.79SS**  trans-157.5153.6140.3-138.5172.3-178.31661.1112.4
383S37.1Very low35.3Very low105 Ų105134.3 Ų134.373%0.73479%0.793SS**  trans-126.1141.2-172.8470000112.5
384V31.1Very low35.6Very low149 Ų149131 Ų13190%0.90378%0.784SS**  trans-173.1146.3131.7-930000110.4
385S32.2Very low36.4Very low112 Ų112132.5 Ų132.578%0.78379%0.788SS**  trans-82179.1174.8-46.20000111.3
386P44.1Very low36.9Very low120 Ų120134.3 Ų134.378%0.77979%0.789SS**  cis-142.4-17811.544.1-25000118.2
387A31Very low37.7Very low97 Ų97136.9 Ų136.980%0.80280%0.795SS**  trans71.599.215100000121
388S28.8Very low38.6Very low113 Ų113132.2 Ų132.279%0.7979%0.786SS**  trans-160.597.6131.348.80000111.3S390S388-S390 PolarHBondContact O-N 3.18Å
389Y31.6Very low39.1Very low222 Ų222131.4 Ų131.487%0.87178%0.775SS**  trans-89.893.9168.6-167.3-88.6000108.9
390S33.4Very low41.1Very low97 Ų97129.2 Ų129.268%0.67876%0.761SS**PPolyproline II helixtrans-86.1122.1169.9-61.10000109S388S388-S390 PolarHBondContact O-N 3.18Å
391P44.1Very low43.2Very low99 Ų99124 Ų12464%0.64375%0.745SS**PPolyproline II helixtrans-66.2146.7167.929.6-33.8000109.7
392P41.6Very low44.6Very low124 Ų124121.2 Ų121.281%0.80572%0.724SS**PPolyproline II helixtrans-61.2149.8165.228.5-33.5000109.9
393A33.3Very low46.9Very low93 Ų93112.9 Ų112.977%0.76970%0.703SS**PPolyproline II helixtrans-84.5134.5-167.500000113.4
394S37.2Very low49.1Very low108 Ų108108 Ų10876%0.75567%0.668SS**  trans58.1135.6160.5-59.50000118.7
395P45.2Very low51.3Low114 Ų114108.7 Ų108.774%0.7466%0.662SS**  trans-60.2152.7170.7-20.432.5000112.4
396L43.8Very low53.5Low141 Ų141107 Ų10774%0.73864%0.64SS**  trans-79.8139.4162.1-60.3178000108.2G398L396-G398 VanDerWaalsContact C-N 3.27Å; L396-G398 PolarHBondContact O-N 3.33Å
397E48.8Very low55.4Low214 Ų214104 Ų104100%162%0.622SS**THydrogen-bonded Turntrans-71.783.1175.8-71.8174.19500110
398G54.5Low57.5Low58 Ų58102 Ų10260%0.59861%0.611SS**THydrogen-bonded Turntrans179.8-15.3-178.400000117.1L396 V400L396-G398 VanDerWaalsContact C-N 3.27Å; L396-G398 PolarHBondContact O-N 3.33Å; G398-V400 PolarHBondContact O-N 3.4Å
399D57.3Low60Low96 Ų96100.3 Ų100.351%0.51360%0.595SS.*  trans-69.399.9-175-61-40.6000112.1V401D399-V401 PolarHBondContact O-N 2.95Å
400V70.8Confident62.5Low86 Ų8692.9 Ų92.952%0.52158%0.58SS.*  trans-74.295.1178-175.30000109G398 I402 E413G398-V400 PolarHBondContact O-N 3.4Å; V400-I402 HydrophobicContact CG1-CD1 4.28Å; V400-I402 HydrophobicContact CG1-CG1 3.94Å; V400-E413 PolarHBondContact O-N 3.32Å
401V78.6Confident64.8Low89 Ų8989.9 Ų89.954%0.53956%0.556SS.*EExtended strand (participates in β ladder)trans-80118.8171.6-69.10000110.6D399 L411 E412D399-V401 PolarHBondContact O-N 2.95Å; V401-L411 CarbonylContact C-O 3.53Å; V401-L411 VanDerWaalsContact CA-O 3.32Å; V401-L411 WeakPolarHBondContact CA-O 3.29Å; V401-E412 HydrophobicContact CG1-CG 4.2Å
402I81.9Confident66.7Low57 Ų5790.2 Ų90.229%0.29255%0.549SS..EExtended strand (participates in β ladder)trans-110134.9-179.6-57.4179.3000107.8V400 C404 L411 L416V400-I402 HydrophobicContact CG1-CD1 4.28Å; V400-I402 HydrophobicContact CG1-CG1 3.94Å; I402-C404 PolarHBondContact O-N 2.8Å; I402-L411 PolarHBondContact N-O 3.11Å; I402-L411 PolarHBondContact O-N 3.41Å; I402-L416 HydrophobicContact CB-CD1 4.03Å; I402-L416 HydrophobicContact CB-CD2 3.89Å; I402-L416 HydrophobicContact CD1-CD2 4.15Å; I402-L416 HydrophobicContact CG2-CD1 4.09Å; I402-L416 HydrophobicContact CG2-CD2 3.73Å; I402-L416 WeakPolarHBondContact O-CD1 3.4Å
403P78.4Confident68.4Low77 Ų7789.3 Ų89.350%0.553%0.534SS..EExtended strand (participates in β ladder)trans-68.7129.7171.428.7-33.2000110.3E405P403-E405 PolarHBondContact O-N 2.94Å
404C83.2Confident70.3Confident2 Ų288.5 Ų88.51%0.01453%0.528CS..  trans-58123.2171174.50000110.4I402 F406 C407 G408 V409 L411 L416 H419I402-C404 PolarHBondContact O-N 2.8Å; C404-F406 PolarHBondContact O-N 3.36Å; C404-F406 VanDerWaalsContact O-N 3.08Å; C404-C407 VanDerWaalsContact CB-SG 3.58Å; C404-C407 PolarHBondContact O-N 2.95Å; C404-C407 VanDerWaalsContact SG-SG 3.62Å; C404-G408 WeakPolarHBondContact O-CA 3.46Å; C404-G408 PolarHBondContact O-N 3.43Å; C404-V409 PolarHBondContact N-O 3.39Å; C404-L411 HydrophobicContact CB-CD1 4.5Å; C404-L416 HydrophobicContact CB-CD1 4.36Å; C404-H419 PolarHBondContact SG-CD2 3.2Å
405E77.9Confident72.3Confident164 Ų16486.6 Ų86.677%0.76651%0.511SS*.THydrogen-bonded Turntrans-62.6-18.4-176.3-59.4-172.1157.200113.9P403P403-E405 PolarHBondContact O-N 2.94Å
406F79.2Confident73.9Confident75 Ų7581.6 Ų81.633%0.32948%0.478SS..THydrogen-bonded Turntrans-94.1-27.7-179.3-59-85.5000114.4C404 Q420 C423 D424C404-F406 PolarHBondContact O-N 3.36Å; C404-F406 VanDerWaalsContact O-N 3.08Å; F406-Q420 HydrophobicContact CD2-CB 4.2Å; F406-Q420 HydrophobicContact CD2-CG 4.1Å; F406-Q420 HydrophobicContact CE2-CB 3.93Å; F406-Q420 HydrophobicContact CE2-CG 4.09Å; F406-C423 HydrophobicContact CB-CB 4.14Å; F406-D424 HydrophobicContact CD1-CB 4.39Å; F406-D424 HydrophobicContact CE1-CB 3.93Å; F406-D424 WeakPolarHBondContact CE1-OD1 3.49Å; F406-D424 HydrophobicContact CE2-CB 4.41Å; F406-D424 HydrophobicContact CZ-CB 3.94Å
407C82.1Confident75.4Confident59 Ų5980.9 Ų80.940%0.39947%0.469SS..THydrogen-bonded Turntrans-137-1.6-173.172.50000115.4C404 V409 H419C404-C407 VanDerWaalsContact CB-SG 3.58Å; C404-C407 PolarHBondContact O-N 2.95Å; C404-C407 VanDerWaalsContact SG-SG 3.62Å; C407-V409 PolarHBondContact O-N 2.93Å; C407-V409 VanDerWaalsContact O-N 3.14Å; C407-H419 PolarHBondContact SG-NE2 3.11Å
408G75.2Confident76.8Confident55 Ų5576.8 Ų76.857%0.56745%0.45SS*.  trans72.1-3.4177.900000116.2C404 A410C404-G408 WeakPolarHBondContact O-CA 3.46Å; C404-G408 PolarHBondContact O-N 3.43Å; G408-A410 PolarHBondContact O-N 3.35Å
409V82.8Confident78Confident76 Ų7676.8 Ų76.846%0.46143%0.434SS..  trans-67.6123178.7-179.10000109.8C404 C407 L411C404-V409 PolarHBondContact N-O 3.39Å; C407-V409 PolarHBondContact O-N 2.93Å; C407-V409 VanDerWaalsContact O-N 3.14Å; V409-L411 HydrophobicContact CG1-CD2 3.96Å; V409-L411 HydrophobicContact CG1-CG 4.07Å; V409-L411 PolarHBondContact O-N 3.34Å
410A84Confident78.9Confident66 Ų6673.8 Ų73.855%0.54542%0.417SS..EExtended strand (participates in β ladder)trans-69.9122.2173.400000110.5G408G408-A410 PolarHBondContact O-N 3.35Å
411L81.6Confident78.8Confident34 Ų3474.9 Ų74.918%0.17842%0.42CS..EExtended strand (participates in β ladder)trans-134.7148.1-176.6-65.1173000110.2V401 I402 C404 V409 V415 L416 H419V401-L411 CarbonylContact C-O 3.53Å; V401-L411 VanDerWaalsContact CA-O 3.32Å; V401-L411 WeakPolarHBondContact CA-O 3.29Å; I402-L411 PolarHBondContact N-O 3.11Å; I402-L411 PolarHBondContact O-N 3.41Å; C404-L411 HydrophobicContact CB-CD1 4.5Å; V409-L411 HydrophobicContact CG1-CD2 3.96Å; V409-L411 HydrophobicContact CG1-CG 4.07Å; V409-L411 PolarHBondContact O-N 3.34Å; L411-V415 HydrophobicContact CD2-CG1 4.46Å; L411-L416 HydrophobicContact CB-CD1 4.37Å; L411-H419 HydrophobicContact CD1-CB 3.54Å; L411-H419 WeakPolarHBondContact CD1-CD2 3.46Å
412E83Confident78.3Confident106 Ų10677.2 Ų77.250%0.49542%0.423SS..EExtended strand (participates in β ladder)trans-59.2141.2170.4-67157.6-152.300110.6V401 A414 V415 L416V401-E412 HydrophobicContact CG1-CG 4.2Å; E412-A414 VanDerWaalsContact C-N 3.25Å; E412-A414 PolarHBondContact O-N 3.48Å; E412-A414 VanDerWaalsContact O-N 3.1Å; E412-V415 HydrophobicContact CB-CG2 4.46Å; E412-V415 CarbonylContact O-C 3.6Å; E412-V415 WeakPolarHBondContact O-CA 3.49Å; E412-V415 PolarHBondContact O-N 3.07Å; E412-L416 PolarHBondContact O-N 3.23Å
413E76.8Confident77.7Confident105 Ų10575.3 Ų75.349%0.49142%0.415SS..Hα-helixtrans-47.1-42.4-177-175.1176.7-176.400114V400 V415 L416 F417V400-E413 PolarHBondContact O-N 3.32Å; E413-V415 VanDerWaalsContact C-N 3.29Å; E413-V415 PolarHBondContact O-N 3.38Å; E413-L416 WeakPolarHBondContact O-CB 3.45Å; E413-L416 PolarHBondContact O-N 3.22Å; E413-F417 HydrophobicContact CG-CE2 4.02Å; E413-F417 VanDerWaalsContact O-CD2 3.25Å; E413-F417 WeakPolarHBondContact O-CD2 3.37Å
414A74.8Confident77.1Confident77 Ų7776 Ų7664%0.63641%0.414SS*.Hα-helixtrans-66-27.5178.700000114.2E412 H418E412-A414 VanDerWaalsContact C-N 3.25Å; E412-A414 PolarHBondContact O-N 3.48Å; E412-A414 VanDerWaalsContact O-N 3.1Å; A414-H418 PolarHBondContact O-ND1 3.17Å; A414-H418 VanDerWaalsContact O-ND1 3.13Å
415V77.6Confident75.3Confident68 Ų6882.3 Ų82.341%0.41245%0.445SS..Hα-helixtrans-90.2-30.4176.8-176.30000110.8L411 E412 E413 F417 H418 H419L411-V415 HydrophobicContact CD2-CG1 4.46Å; E412-V415 HydrophobicContact CB-CG2 4.46Å; E412-V415 CarbonylContact O-C 3.6Å; E412-V415 WeakPolarHBondContact O-CA 3.49Å; E412-V415 PolarHBondContact O-N 3.07Å; E413-V415 VanDerWaalsContact C-N 3.29Å; E413-V415 PolarHBondContact O-N 3.38Å; V415-F417 PolarHBondContact O-N 3.03Å; V415-H418 PolarHBondContact O-N 3.18Å; V415-H419 VanDerWaalsContact O-CB 3.29Å; V415-H419 WeakPolarHBondContact O-CB 3.42Å; V415-H419 PolarHBondContact O-N 3.48Å
416L80.7Confident73.9Confident8 Ų883.5 Ų83.54%0.04244%0.442CS..Hα-helixtrans-51.7-53.8-178.6-170.483.6000112I402 C404 L411 E412 E413 H418 H419 Q420I402-L416 HydrophobicContact CB-CD1 4.03Å; I402-L416 HydrophobicContact CB-CD2 3.89Å; I402-L416 HydrophobicContact CD1-CD2 4.15Å; I402-L416 HydrophobicContact CG2-CD1 4.09Å; I402-L416 HydrophobicContact CG2-CD2 3.73Å; I402-L416 WeakPolarHBondContact O-CD1 3.4Å; C404-L416 HydrophobicContact CB-CD1 4.36Å; L411-L416 HydrophobicContact CB-CD1 4.37Å; E412-L416 PolarHBondContact O-N 3.23Å; E413-L416 WeakPolarHBondContact O-CB 3.45Å; E413-L416 PolarHBondContact O-N 3.22Å; L416-H418 PolarHBondContact O-N 3.47Å; L416-H419 CarbonylContact O-C 3.51Å; L416-H419 PolarHBondContact O-N 3.14Å; L416-H419 VanDerWaalsContact O-N 3.12Å; L416-Q420 HydrophobicContact CG-CG 4.22Å; L416-Q420 WeakPolarHBondContact O-CB 3.41Å; L416-Q420 WeakPolarHBondContact O-CG 3.5Å; L416-Q420 PolarHBondContact O-N 3.31Å
417F75.2Confident72.4Confident126 Ų12684.7 Ų84.755%0.55346%0.456SS*.Hα-helixtrans-58.9-49.2-177.5-66.2-77000112.5E413 V415 H419 Q420 D421E413-F417 HydrophobicContact CG-CE2 4.02Å; E413-F417 VanDerWaalsContact O-CD2 3.25Å; E413-F417 WeakPolarHBondContact O-CD2 3.37Å; V415-F417 PolarHBondContact O-N 3.03Å; F417-H419 PolarHBondContact O-N 2.86Å; F417-Q420 PolarHBondContact O-N 2.92Å; F417-D421 WeakPolarHBondContact O-CB 3.4Å; F417-D421 PolarHBondContact O-N 3.42Å
418H77.6Confident70.6Confident129 Ų12991 Ų9160%0.59748%0.48SS*.Hα-helixtrans-67.5-21.7178.5-65.1103.4000113.6A414 V415 L416 K422A414-H418 PolarHBondContact O-ND1 3.17Å; A414-H418 VanDerWaalsContact O-ND1 3.13Å; V415-H418 PolarHBondContact O-N 3.18Å; L416-H418 PolarHBondContact O-N 3.47Å; H418-K422 WeakPolarHBondContact O-CD 3.42Å; H418-K422 WeakPolarHBondContact O-CG 3.27Å
419H79.9Confident68.9Low57 Ų5792.5 Ų92.526%0.26449%0.486SS..Hα-helixtrans-87.9-40.5175.117583.5000111.9C404 C407 L411 V415 L416 F417 K422 C423C404-H419 PolarHBondContact SG-CD2 3.2Å; C407-H419 PolarHBondContact SG-NE2 3.11Å; L411-H419 HydrophobicContact CD1-CB 3.54Å; L411-H419 WeakPolarHBondContact CD1-CD2 3.46Å; V415-H419 VanDerWaalsContact O-CB 3.29Å; V415-H419 WeakPolarHBondContact O-CB 3.42Å; V415-H419 PolarHBondContact O-N 3.48Å; L416-H419 CarbonylContact O-C 3.51Å; L416-H419 PolarHBondContact O-N 3.14Å; L416-H419 VanDerWaalsContact O-N 3.12Å; F417-H419 PolarHBondContact O-N 2.86Å; H419-K422 CarbonylContact O-C 3.54Å; H419-K422 PolarHBondContact O-N 2.9Å; H419-K422 VanDerWaalsContact O-N 3.14Å; H419-C423 WeakPolarHBondContact O-CB 3.21Å; H419-C423 PolarHBondContact O-N 2.67Å
420Q75.1Confident66.7Low33 Ų3391.9 Ų91.915%0.15450%0.495CS..Hα-helixtrans-56.4-53.3175.8-80.7176-56.900110.3F406 L416 F417 K422 C423 D424F406-Q420 HydrophobicContact CD2-CB 4.2Å; F406-Q420 HydrophobicContact CD2-CG 4.1Å; F406-Q420 HydrophobicContact CE2-CB 3.93Å; F406-Q420 HydrophobicContact CE2-CG 4.09Å; L416-Q420 HydrophobicContact CG-CG 4.22Å; L416-Q420 WeakPolarHBondContact O-CB 3.41Å; L416-Q420 WeakPolarHBondContact O-CG 3.5Å; L416-Q420 PolarHBondContact O-N 3.31Å; F417-Q420 PolarHBondContact O-N 2.92Å; Q420-K422 PolarHBondContact O-N 2.88Å; Q420-C423 PolarHBondContact O-N 2.88Å; Q420-D424 PolarHBondContact O-N 2.86Å
421D70.3Confident64.6Low110 Ų11098.2 Ų98.259%0.58851%0.513SS*.Hα-helixtrans-47.6-42.5172.8176.980000112.9F417 M425F417-D421 WeakPolarHBondContact O-CB 3.4Å; F417-D421 PolarHBondContact O-N 3.42Å; D421-M425 WeakPolarHBondContact O-CG 3.2Å
422K66Low62.7Low138 Ų138105.3 Ų105.360%0.655%0.545SS*.Hα-helixtrans-91.1-8.2-178.2-65.4179.1-175.91750114.6H418 H419 Q420H418-K422 WeakPolarHBondContact O-CD 3.42Å; H418-K422 WeakPolarHBondContact O-CG 3.27Å; H419-K422 CarbonylContact O-C 3.54Å; H419-K422 PolarHBondContact O-N 2.9Å; H419-K422 VanDerWaalsContact O-N 3.14Å; Q420-K422 PolarHBondContact O-N 2.88Å
423C70.5Confident60.6Low17 Ų17108.1 Ų108.112%0.11556%0.563CS.*Hα-helixtrans-95.9-36.3178.1-1660000111.1F406 H419 Q420 M425 R426 T427F406-C423 HydrophobicContact CB-CB 4.14Å; H419-C423 WeakPolarHBondContact O-CB 3.21Å; H419-C423 PolarHBondContact O-N 2.67Å; Q420-C423 PolarHBondContact O-N 2.88Å; C423-M425 PolarHBondContact O-N 2.85Å; C423-R426 PolarHBondContact O-N 3.36Å; C423-T427 PolarHBondContact O-OG1 3.09Å
424D64.9Low58.3Low91 Ų91110.4 Ų110.449%0.48758%0.579SS.*Hα-helixtrans-52.1-42.3168.9-154.810.7000110F406 Q420 R426F406-D424 HydrophobicContact CD1-CB 4.39Å; F406-D424 HydrophobicContact CE1-CB 3.93Å; F406-D424 WeakPolarHBondContact CE1-OD1 3.49Å; F406-D424 HydrophobicContact CE2-CB 4.41Å; F406-D424 HydrophobicContact CZ-CB 3.94Å; Q420-D424 PolarHBondContact O-N 2.86Å; D424-R426 VanDerWaalsContact C-N 3.28Å; D424-R426 PolarHBondContact O-N 2.71Å
425M45.3Very low56.2Low135 Ų135113.7 Ų113.767%0.66559%0.585SS**THydrogen-bonded Turntrans-734.7177.1-62.6-61.5-73.500116.4D421 C423D421-M425 WeakPolarHBondContact O-CG 3.2Å; C423-M425 PolarHBondContact O-N 2.85Å
426R48.5Very low53.8Low189 Ų189118 Ų11871%0.71361%0.612SS**THydrogen-bonded Turntrans-140.79.5-168.2-100.3-171.6-177.6-160.20.8119.3C423 D424 E428 A429C423-R426 PolarHBondContact O-N 3.36Å; D424-R426 VanDerWaalsContact C-N 3.28Å; D424-R426 PolarHBondContact O-N 2.71Å; R426-E428 PolarHBondContact O-N 3.01Å; R426-A429 PolarHBondContact O-N 2.87Å
427T48.9Very low51.3Low99 Ų99122 Ų12261%0.60765%0.646SS**THydrogen-bonded Turntrans-64.1-9.8-174.2-43.10000115.3C423C423-T427 PolarHBondContact O-OG1 3.09Å
428E43.4Very low49.4Very low193 Ų193123.3 Ų123.390%0.90266%0.658SS**THydrogen-bonded Turntrans-79.6-14.1171.9-81.7-85.7108.900114.8R426R426-E428 PolarHBondContact O-N 3.01Å
429A40.7Very low47.3Very low85 Ų85126.1 Ų126.170%0.70267%0.671SS**SBendtrans-14158.1-166.400000115R426R426-A429 PolarHBondContact O-N 2.87Å
430G36.7Very low45Very low63 Ų63132 Ų13265%0.64970%0.695SS**  trans-141-24.7-179.500000117.9Q432G430-Q432 PolarHBondContact O-N 3.18Å
431H39.8Very low43.1Very low199 Ų199136.2 Ų136.292%0.92173%0.726SS**  trans-84.579.5-175.5-82.4-155.2000113
432Q40.6Very low41.2Very low184 Ų184138.7 Ų138.786%0.8674%0.738SS**  trans175.594.3144.4-87.4-120.165.400110.7G430G430-Q432 PolarHBondContact O-N 3.18Å
433L39Very low39.3Very low165 Ų165135.3 Ų135.386%0.86474%0.742SS**  trans174.3101.6146.2-100.4174.4000110
434N29.1Very low37.9Very low153 Ų153141.4 Ų141.482%0.81878%0.782SS**  trans-175.6157138.7-100.1-34.4000113.4
435N30Very low36.2Very low145 Ų145142.1 Ų142.178%0.77580%0.801SS**  trans77.681.7167.6-56.7-23.6000118.9
436T28.7Very low35.3Very low158 Ų158139.1 Ų139.197%0.96980%0.804SS**  trans-151.571.4141.1-10.10000114.2
437A27.7Very low34.3Very low92 Ų92138 Ų13876%0.7681%0.812SS**  trans-145141.1151.200000105.6
438I34.2Very low33.3Very low155 Ų155137.6 Ų137.680%0.79582%0.819SS**  cis-161.3159.940.6-145.1161.6000110.9
439Q34.8Very low32.5Very low188 Ų188137.1 Ų137.188%0.87981%0.814SS**  trans83.9152.3171.6-50.6-11533.600119.5
440K30.7Very low31.8Very low179 Ų179139.5 Ų139.578%0.77881%0.811SS**  trans-148.1148.5-168.3-178.4-176.2-171.1178.90108
441P35.1Very low31.5Very low122 Ų122143.4 Ų143.479%0.79281%0.812SS**  trans-122.5174.9137.3-3.725000114.7
442L29.9Very low30.8Very low162 Ų162139.7 Ų139.785%0.84880%0.804SS**  trans-62.4154.3-172.7-87.249000115.3
443G26.9Very low30.2Very low67 Ų67136.5 Ų136.569%0.69180%0.802SS**  trans-85.8-167.2160.500000112.9
444P40Very low29.8Very low145 Ų145132.5 Ų132.594%0.94279%0.792SS**  -134.8-171.293.839.5-28.8000114.2
445A29.6Very low29.8Very low107 Ų107132 Ų13288%0.88479%0.789SS**  trans-98.5168.5-166.100000115.3
446G27.3Very low29.9Very low71 Ų71131.8 Ų131.873%0.73279%0.787SS**  trans-172.8129.9168.900000111.3
447D27.8Very low30.1Very low166 Ų166131.6 Ų131.689%0.88878%0.775SS**  trans-83178.7-166.8-61-80.6000116.4
448A28Very low30.3Very low90 Ų90138.7 Ų138.774%0.74478%0.782SS**  trans93108.2143.100000121.2
449F26.2Very low30.1Very low184 Ų184138.3 Ų138.381%0.80778%0.78SS**  60.8138.1117.8-102.5-127000123.6
450E26.1Very low30Very low135 Ų135139.4 Ų139.463%0.63178%0.776SS**  trans80.8113.4142.2-79.7-176.6142.400125.2
451Q29.2Very low29.9Very low145 Ų145138 Ų13868%0.67877%0.772SS**  85.7146.6120.2-79.7-179.532.900124.3
452T25.7Very low29.6Very low121 Ų121141.6 Ų141.674%0.74278%0.779SS**  trans68.4119.3155.346.70000118.6
453S28.8Very low29.5Very low117 Ų117137.5 Ų137.582%0.81878%0.775SS**  90.8142.281.9-159.70000111.6
454A29.8Very low29.7Very low81 Ų81141.2 Ų141.267%0.66979%0.785SS**  cis-145.51444.400000108.4
455D30.2Very low29.2Very low141 Ų141140.7 Ų140.775%0.75478%0.779SS**  87167.280.1-160.413.4000114.9
456I32.2Very low29.3Very low141 Ų141138.4 Ų138.472%0.72377%0.766SS**  trans91.171.7176.6-46.1178.8000117.5
457Q31.5Very low29.5Very low154 Ų154144.2 Ų144.272%0.7277%0.767SS**  33.2125.6122.3-55.2176.813.100121.7
458R32.2Very low29.7Very low242 Ų242144.1 Ų144.191%0.91376%0.759SS**  -158.2174.4117.6-127.2169.6-72.3165.2-2.2114.2
459I31.3Very low29.8Very low147 Ų147149 Ų14975%0.75476%0.763SS**  trans-141.8146.9-159.3-67.9172.9000105.8
460R30.7Very low30.3Very low210 Ų210150.6 Ų150.679%0.79276%0.764SS**  cis-146.2177.437.7-154160-176.9159.45.3115
461H29.6Very low30.6Very low150 Ų150151.5 Ų151.569%0.69477%0.772SS**  trans-24.5146.9162.8-61.8-149.9000117.5
462E29.1Very low31.1Very low198 Ų198151.8 Ų151.893%0.92578%0.777SS**  -167.117098.5-104177.7-158.100111.7
463G27.4Very low31.5Very low76 Ų76152.9 Ų152.978%0.78478%0.776SS**  trans100.9109.3172.600000116.1
464T32.2Very low31.7Very low145 Ų145156.5 Ų156.589%0.8978%0.777SS**  trans-111.8102.6-176.5-51.40000113.2
465V29.4Very low31.8Very low134 Ų134158.2 Ų158.281%0.81278%0.783SS**  trans-148.6133.3152.6-169.80000104.2Y467V465-Y467 HydrophobicContact CG1-CE2 4.33Å
466G31.2Very low32.1Very low59 Ų59161 Ų16161%0.60879%0.789SS**  cis150.4-18013.900000107.3
467Y31.8Very low32.2Very low193 Ų193160.1 Ų160.176%0.75779%0.79SS**  trans100.7139.3165.1-63.8-67.1000121.9V465V465-Y467 HydrophobicContact CG1-CE2 4.33Å
468F31.9Very low32.5Very low164 Ų164159.2 Ų159.272%0.71980%0.795SS**  trans26.4133.2154.7-53.6-59.8000119.7
469F29Very low32.7Very low191 Ų191154.8 Ų154.884%0.83879%0.788SS**  -157.1163.464-117.4-86.6000116.3
470R37.9Very low32.8Very low219 Ų219158.1 Ų158.183%0.82679%0.793SS**  trans-73.3118.8176.1-173.8-176.8-166.4167.23110.9
471L31.3Very low32.9Very low153 Ų153152.8 Ų152.880%0.80179%0.787SS**  trans-123.9113.4177-14283.3000112.6
472I39.9Very low33.2Very low151 Ų151151.3 Ų151.377%0.77479%0.794SS**  trans-95.5101.7171.2-63.7171000108.2
473M33.6Very low33.6Very low145 Ų145146.7 Ų146.771%0.71478%0.784SS**  trans-143.5100.4174.1-93.2-62.5-163.200113.6S475M473-S475 PolarHBondContact O-N 2.93Å
474K34.4Very low34.3Very low193 Ų193155 Ų15584%0.83981%0.807SS**  trans18.893.2138.8-63.1165.2-178.6168.20117K476K474-K476 PolarHBondContact O-N 2.8Å; K474-K476 VanDerWaalsContact O-N 3.17Å
475S31.6Very low34.4Very low116 Ų116155.5 Ų155.581%0.81180%0.803SS**  trans-77.992.2166.538.20000112.2M473M473-S475 PolarHBondContact O-N 2.93Å
476K35.6Very low34.7Very low199 Ų199156.6 Ų156.687%0.86580%0.803SS**  trans-112.485.4160.5-88.1-166.8173-173.90110K474 V478K474-K476 PolarHBondContact O-N 2.8Å; K474-K476 VanDerWaalsContact O-N 3.17Å; K476-V478 PolarHBondContact O-N 2.88Å
477T35.3Very low34.9Very low123 Ų123162.1 Ų162.176%0.75581%0.814SS**  trans-81.7105.2177.5-49.60000110.5
478V36.5Very low35Very low136 Ų136160.2 Ų160.282%0.82482%0.817SS**  trans-80.4123.3163.3175.30000107.9K476K476-V478 PolarHBondContact O-N 2.88Å
479I37.3Very low35.2Very low148 Ų148160 Ų16076%0.75982%0.823SS**  trans-81.3127.8176.8-60.9171.6000108.9
480Y32.1Very low35.7Very low218 Ų218157.9 Ų157.986%0.85582%0.822SS**  trans-159.8166.3147-131.9-91.5000113
481S34.6Very low35.5Very low97 Ų97153.6 Ų153.668%0.67882%0.822SS**  trans64.796.4172.663.10000118.4
482S34.1Very low35.8Very low120 Ų120153.6 Ų153.684%0.83982%0.823SS**  -171148.3114.5-78.40000109.3
483S39Very low35.5Very low101 Ų101153.8 Ų153.871%0.70683%0.827SS**  cis162.5115.7-17.6-94.60000104.3
484I41.6Very low35.7Very low250 Ų250154.6 Ų154.6100%1.28284%0.838SS**  trans-179.90150.6-95.2154.4000107.4

Retrieved 484 of 484 residues in 128.2 ms (Link to these results)