A0A087XQY0_POEFO Loading...

Membrane frizzled-related protein

AlphaFold DB , UniProt , Accession A0A087XQY0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 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
1M57.1Low63.1Low172 Ų17293.1 Ų93.185%0.84757%0.567SS**  01350-72.9171.3175.200108.3R6M1-R6 WeakPolarHBondContact CA-O 3.27Å
2C74.2Confident63.6Low12 Ų1287.6 Ų87.68%0.08154%0.535CS..  trans-79.7163.5171.5-46.90000110.6G4 G5 R6 C20C2-G4 PolarHBondContact O-N 3.19Å; C2-G5 PolarHBondContact O-N 3.45Å; C2-R6 HydrophobicContact CB-CB 4.43Å; C2-R6 PolarHBondContact N-O 3.06Å; C2-R6 VanDerWaalsContact N-O 3.14Å; C2-C20 VanDerWaalsContact CA-SG 3.54Å; C2-C20 HydrophobicContact CB-CB 3.76Å; C2-C20 WeakPolarHBondContact CB-SG 3.38Å; C2-C20 VanDerWaalsContact SG-CA 3.53Å; C2-C20 WeakPolarHBondContact SG-CB 3.47Å; C2-C20 CovalentContact SG-SG 2.02Å; C2-C20 PolarHBondContact SG-SG 2.92Å
3D61.3Low64.1Low147 Ų14783.3 Ų83.379%0.78651%0.509SS*.THydrogen-bonded Turntrans-62.9-12.4178.6-82.2-22.2000113.3D22D3-D22 VanDerWaalsContact CB-OD2 3.29Å; D3-D22 WeakPolarHBondContact CB-OD2 3.35Å; D3-D22 PolarHBondContact N-OD2 3.14Å
4G62.6Low64.3Low74 Ų7478.6 Ų78.676%0.76348%0.481SS*.THydrogen-bonded Turntrans-89.99.3173.500000115.9C2 R6C2-G4 PolarHBondContact O-N 3.19Å; G4-R6 PolarHBondContact O-N 3.26Å
5G62.2Low64.5Low62 Ų6277.5 Ų77.564%0.63947%0.471SS*.SBendtrans72.712.6-179.200000114.6C2C2-G5 PolarHBondContact O-N 3.45Å
6R71Confident64.8Low160 Ų16076.4 Ų76.460%0.60448%0.481SS*.  trans-76.4121.8172.6-163.5-178-153.8-155.64.1109.3M1 C2 G4M1-R6 WeakPolarHBondContact CA-O 3.27Å; C2-R6 HydrophobicContact CB-CB 4.43Å; C2-R6 PolarHBondContact N-O 3.06Å; C2-R6 VanDerWaalsContact N-O 3.14Å; G4-R6 PolarHBondContact O-N 3.26Å
7C65Low65.8Low97 Ų9779.2 Ų79.266%0.65549%0.486SS*.  trans-72.9127.5169.9-62.20000109
8L65.6Low66.6Low36 Ų3679.6 Ų79.619%0.18849%0.49CS..  trans-106.3149.9168.6-69.9-176.9000108.1N19 C20 D25L8-N19 HydrophobicContact CD1-CB 3.86Å; L8-N19 HydrophobicContact CD2-CB 3.88Å; L8-C20 WeakPolarHBondContact CD1-SG 3.42Å; L8-D25 HydrophobicContact CD1-CB 3.65Å
9L57.9Low67.4Low127 Ų12777.9 Ų77.967%0.66548%0.478SS*.  trans-62.6143.4168-65.8170000108.9A11 S12L9-A11 PolarHBondContact O-N 3.33Å; L9-S12 WeakPolarHBondContact O-CA 3.4Å; L9-S12 WeakPolarHBondContact O-CB 3.5Å; L9-S12 PolarHBondContact O-N 3Å
10P58.1Low68.1Low72 Ų7274.3 Ų74.347%0.46846%0.456SS..G310 helixtrans-56-32.3176.4-27.435.3000113.4S12 V13P10-S12 PolarHBondContact O-N 2.86Å; P10-V13 PolarHBondContact O-N 3.28Å
11A59.2Low68.7Low65 Ų6578.9 Ų78.954%0.53748%0.477SS..G310 helixtrans-68.3-15.5174.900000114.2L9 D15L9-A11 PolarHBondContact O-N 3.33Å; A11-D15 WeakPolarHBondContact O-CB 3.35Å
12S68.9Low70Confident27 Ų2773.7 Ų73.719%0.18945%0.453CS..G310 helixtrans-98.213179.2-57.40000112.8L9 P10 D15 N19L9-S12 WeakPolarHBondContact O-CA 3.4Å; L9-S12 WeakPolarHBondContact O-CB 3.5Å; L9-S12 PolarHBondContact O-N 3Å; P10-S12 PolarHBondContact O-N 2.86Å; S12-D15 WeakPolarHBondContact CA-OD2 3.45Å; S12-N19 WeakPolarHBondContact CB-ND2 3.3Å; S12-N19 PolarHBondContact O-ND2 2.76Å
13V69.5Low70.3Confident32 Ų3279.2 Ų79.219%0.19448%0.478CS..SBendtrans-108122.2176.1179.80000108P10 D15 D25 K32 H33P10-V13 PolarHBondContact O-N 3.28Å; V13-D15 VanDerWaalsContact C-N 3.28Å; V13-D15 PolarHBondContact O-N 2.89Å; V13-D25 WeakPolarHBondContact CG1-O 3.44Å; V13-K32 HydrophobicContact CG1-CD 4.17Å; V13-H33 PolarHBondContact O-NE2 3.19Å
14C67.6Low71.3Confident17 Ų1773.8 Ų73.812%0.11545%0.45CS..SBendtrans59.740.8179.4-75.70000112.1D25 E26 C29 H33C14-D25 PolarHBondContact N-O 3.02Å; C14-D25 VanDerWaalsContact N-O 3.15Å; C14-D25 PolarHBondContact SG-O 3.11Å; C14-E26 WeakPolarHBondContact CA-OE1 3Å; C14-E26 WeakPolarHBondContact CA-OE2 3.48Å; C14-E26 PolarHBondContact N-OE1 3.11Å; C14-C29 HydrophobicContact CB-CB 3.71Å; C14-C29 WeakPolarHBondContact CB-SG 3.26Å; C14-C29 WeakPolarHBondContact SG-CA 3.19Å; C14-C29 WeakPolarHBondContact SG-CB 3.32Å; C14-C29 CovalentContact SG-SG 2.02Å; C14-C29 PolarHBondContact SG-SG 2.82Å; C14-H33 WeakPolarHBondContact CB-CD2 3.39Å; C14-H33 WeakPolarHBondContact CB-NE2 3.41Å; C14-H33 PolarHBondContact O-CE1 3.01Å; C14-H33 VanDerWaalsContact O-CE1 3.28Å; C14-H33 PolarHBondContact O-NE2 3.19Å
15D66.8Low71.9Confident62 Ų6270.5 Ų70.533%0.33242%0.415SS..SBendtrans-99.45.817871.4-7.8000112.3A11 S12 V13 H17 N19 E26A11-D15 WeakPolarHBondContact O-CB 3.35Å; S12-D15 WeakPolarHBondContact CA-OD2 3.45Å; V13-D15 VanDerWaalsContact C-N 3.28Å; V13-D15 PolarHBondContact O-N 2.89Å; D15-H17 VanDerWaalsContact C-N 3.26Å; D15-H17 PolarHBondContact O-N 3.38Å; D15-H17 PolarHBondContact O-ND1 2.86Å; D15-H17 WeakPolarHBondContact OD1-CA 3.37Å; D15-H17 WeakPolarHBondContact OD1-CB 3.44Å; D15-H17 PolarHBondContact OD1-N 3.05Å; D15-H17 VanDerWaalsContact OD1-O 3.04Å; D15-N19 PolarHBondContact OD1-ND2 3.24Å; D15-N19 PolarHBondContact OD2-ND2 3.31Å; D15-N19 VanDerWaalsContact OD2-ND2 3.14Å; D15-E26 PolarHBondContact N-OE1 3.23Å
16G70.1Confident72.7Confident61 Ų6169.9 Ų69.963%0.62940%0.395SS*.SBendtrans78.83.4-176.700000114.2E26G16-E26 VanDerWaalsContact CA-OE2 3.26Å; G16-E26 WeakPolarHBondContact CA-OE2 3.46Å; G16-E26 PolarHBondContact N-OE2 3.09Å
17H80.9Confident73Confident124 Ų12464.5 Ų64.557%0.57439%0.385SS*.SBendtrans-117.5123.2177.5-6875.7000110.4D15 N19D15-H17 VanDerWaalsContact C-N 3.26Å; D15-H17 PolarHBondContact O-N 3.38Å; D15-H17 PolarHBondContact O-ND1 2.86Å; D15-H17 WeakPolarHBondContact OD1-CA 3.37Å; D15-H17 WeakPolarHBondContact OD1-CB 3.44Å; D15-H17 PolarHBondContact OD1-N 3.05Å; D15-H17 VanDerWaalsContact OD1-O 3.04Å; H17-N19 PolarHBondContact O-N 2.92Å; H17-N19 PolarHBondContact O-ND2 3.22Å
18P81.2Confident73.2Confident85 Ų8564.1 Ų64.155%0.55238%0.376SS*.  trans-74.893.8179.728.6-32.3000111Q23P18-Q23 HydrophobicContact CB-CG 3.98Å
19N81.3Confident73.2Confident49 Ų4964.2 Ų64.226%0.26238%0.38SS..  trans-87.6-21.8178.6-60.5-60.1000112.5L8 S12 D15 H17 D25L8-N19 HydrophobicContact CD1-CB 3.86Å; L8-N19 HydrophobicContact CD2-CB 3.88Å; S12-N19 WeakPolarHBondContact CB-ND2 3.3Å; S12-N19 PolarHBondContact O-ND2 2.76Å; D15-N19 PolarHBondContact OD1-ND2 3.24Å; D15-N19 PolarHBondContact OD2-ND2 3.31Å; D15-N19 VanDerWaalsContact OD2-ND2 3.14Å; H17-N19 PolarHBondContact O-N 2.92Å; H17-N19 PolarHBondContact O-ND2 3.22Å; N19-D25 VanDerWaalsContact CA-OD2 3.32Å; N19-D25 WeakPolarHBondContact CA-OD2 3.49Å; N19-D25 VanDerWaalsContact CB-OD2 3.27Å; N19-D25 WeakPolarHBondContact CB-OD2 3.31Å; N19-D25 PolarHBondContact N-OD2 2.98Å
20C80.9Confident73.3Confident5 Ų563.1 Ų63.13%0.03438%0.383CS..SBendtrans-91.3141.3166-65.60000112.1C2 L8 D22 Q23 D25C2-C20 VanDerWaalsContact CA-SG 3.54Å; C2-C20 HydrophobicContact CB-CB 3.76Å; C2-C20 WeakPolarHBondContact CB-SG 3.38Å; C2-C20 VanDerWaalsContact SG-CA 3.53Å; C2-C20 WeakPolarHBondContact SG-CB 3.47Å; C2-C20 CovalentContact SG-SG 2.02Å; C2-C20 PolarHBondContact SG-SG 2.92Å; L8-C20 WeakPolarHBondContact CD1-SG 3.42Å; C20-D22 WeakPolarHBondContact CB-OD1 3.45Å; C20-D22 PolarHBondContact O-N 3.38Å; C20-Q23 PolarHBondContact O-N 2.93Å; C20-D25 HydrophobicContact CB-CB 4.29Å; C20-D25 VanDerWaalsContact CB-OD1 3.24Å; C20-D25 WeakPolarHBondContact CB-OD1 3.37Å; C20-D25 PolarHBondContact N-OD1 2.98Å; C20-D25 PolarHBondContact N-OD2 2.97Å
21N81.8Confident73.2Confident170 Ų17065.9 Ų65.991%0.90939%0.39SS*.THydrogen-bonded Turntrans-62-26.3174.7-72.1-13.5000113.1
22D83.3Confident73.1Confident63 Ų6367.3 Ų67.334%0.33738%0.384SS..THydrogen-bonded Turntrans-940.9177.158.419.5000112.8D3 C20 T24D3-D22 VanDerWaalsContact CB-OD2 3.29Å; D3-D22 WeakPolarHBondContact CB-OD2 3.35Å; D3-D22 PolarHBondContact N-OD2 3.14Å; C20-D22 WeakPolarHBondContact CB-OD1 3.45Å; C20-D22 PolarHBondContact O-N 3.38Å; D22-T24 HydrophobicContact CB-CG2 3.99Å; D22-T24 VanDerWaalsContact CG-OG1 3.27Å; D22-T24 PolarHBondContact O-N 2.91Å; D22-T24 VanDerWaalsContact O-N 3.09Å; D22-T24 VanDerWaalsContact OD1-CB 3.25Å; D22-T24 WeakPolarHBondContact OD1-CB 3.24Å; D22-T24 VanDerWaalsContact OD1-CG2 3.25Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.48Å; D22-T24 PolarHBondContact OD1-N 2.94Å; D22-T24 PolarHBondContact OD1-OG1 3.42Å; D22-T24 PolarHBondContact OD2-OG1 2.86Å
23Q81.9Confident72.3Confident128 Ų12871.3 Ų71.360%0.59840%0.399SS*.  trans5619.6-176.6-53.1177.70.900114P18 C20 D25 E26 A27P18-Q23 HydrophobicContact CB-CG 3.98Å; C20-Q23 PolarHBondContact O-N 2.93Å; Q23-D25 WeakPolarHBondContact CA-OD1 3.26Å; Q23-D25 PolarHBondContact O-N 2.85Å; Q23-E26 PolarHBondContact O-N 2.84Å; Q23-A27 PolarHBondContact O-N 2.96Å
24T81.3Confident71.3Confident34 Ų3477.9 Ų77.921%0.20943%0.425CS..G310 helixtrans-68-24.6-178.754.30000112.3D22 E26 A27 K32D22-T24 HydrophobicContact CB-CG2 3.99Å; D22-T24 VanDerWaalsContact CG-OG1 3.27Å; D22-T24 PolarHBondContact O-N 2.91Å; D22-T24 VanDerWaalsContact O-N 3.09Å; D22-T24 VanDerWaalsContact OD1-CB 3.25Å; D22-T24 WeakPolarHBondContact OD1-CB 3.24Å; D22-T24 VanDerWaalsContact OD1-CG2 3.25Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.48Å; D22-T24 PolarHBondContact OD1-N 2.94Å; D22-T24 PolarHBondContact OD1-OG1 3.42Å; D22-T24 PolarHBondContact OD2-OG1 2.86Å; T24-E26 VanDerWaalsContact C-N 3.29Å; T24-E26 PolarHBondContact O-N 2.85Å; T24-A27 PolarHBondContact O-N 3.23Å; T24-K32 PolarHBondContact O-NZ 3.22Å
25D75.5Confident71Confident4 Ų482.5 Ų82.52%0.02145%0.445CS..G310 helixtrans-59.3-37.7171.955.9-40.5000112.7L8 V13 C14 N19 C20 Q23L8-D25 HydrophobicContact CD1-CB 3.65Å; V13-D25 WeakPolarHBondContact CG1-O 3.44Å; C14-D25 PolarHBondContact N-O 3.02Å; C14-D25 VanDerWaalsContact N-O 3.15Å; C14-D25 PolarHBondContact SG-O 3.11Å; N19-D25 VanDerWaalsContact CA-OD2 3.32Å; N19-D25 WeakPolarHBondContact CA-OD2 3.49Å; N19-D25 VanDerWaalsContact CB-OD2 3.27Å; N19-D25 WeakPolarHBondContact CB-OD2 3.31Å; N19-D25 PolarHBondContact N-OD2 2.98Å; C20-D25 HydrophobicContact CB-CB 4.29Å; C20-D25 VanDerWaalsContact CB-OD1 3.24Å; C20-D25 WeakPolarHBondContact CB-OD1 3.37Å; C20-D25 PolarHBondContact N-OD1 2.98Å; C20-D25 PolarHBondContact N-OD2 2.97Å; Q23-D25 WeakPolarHBondContact CA-OD1 3.26Å; Q23-D25 PolarHBondContact O-N 2.85Å
26E79.3Confident71.6Confident49 Ų4981.7 Ų81.723%0.22944%0.443CS..G310 helixtrans-92.91178-61.3-56.4115.600113.4C14 D15 G16 Q23 T24 C29C14-E26 WeakPolarHBondContact CA-OE1 3Å; C14-E26 WeakPolarHBondContact CA-OE2 3.48Å; C14-E26 PolarHBondContact N-OE1 3.11Å; D15-E26 PolarHBondContact N-OE1 3.23Å; G16-E26 VanDerWaalsContact CA-OE2 3.26Å; G16-E26 WeakPolarHBondContact CA-OE2 3.46Å; G16-E26 PolarHBondContact N-OE2 3.09Å; Q23-E26 PolarHBondContact O-N 2.84Å; T24-E26 VanDerWaalsContact C-N 3.29Å; T24-E26 PolarHBondContact O-N 2.85Å; E26-C29 PolarHBondContact O-SG 3.3Å
27A76.4Confident72.4Confident47 Ų4779.8 Ų79.839%0.38842%0.424SS..THydrogen-bonded Turntrans-86.4136.717900000111.9Q23 T24 C29 K32Q23-A27 PolarHBondContact O-N 2.96Å; T24-A27 PolarHBondContact O-N 3.23Å; A27-C29 PolarHBondContact O-N 2.61Å; A27-K32 WeakPolarHBondContact O-CD 3.39Å; A27-K32 VanDerWaalsContact O-CE 3.27Å; A27-K32 WeakPolarHBondContact O-CE 2.99Å; A27-K32 PolarHBondContact O-NZ 3.47Å
28N69Low72.7Confident89 Ų8975.7 Ų75.748%0.47642%0.416SS..THydrogen-bonded Turntrans6137.3175.5-161.117000114.3S30 Q31 K32N28-S30 PolarHBondContact O-N 2.63Å; N28-S30 VanDerWaalsContact O-N 3.17Å; N28-Q31 PolarHBondContact ND2-OE1 2.91Å; N28-Q31 PolarHBondContact O-N 3.11Å; N28-Q31 WeakPolarHBondContact OD1-CB 3.42Å; N28-Q31 WeakPolarHBondContact OD1-CG 3.24Å; N28-K32 PolarHBondContact O-N 3.2Å
29C66.4Low73.1Confident39 Ų3979.7 Ų79.726%0.26443%0.427SS..Hα-helixtrans-55.8-32.3178-58.10000113.5C14 E26 A27 Q31 K32 H33C14-C29 HydrophobicContact CB-CB 3.71Å; C14-C29 WeakPolarHBondContact CB-SG 3.26Å; C14-C29 WeakPolarHBondContact SG-CA 3.19Å; C14-C29 WeakPolarHBondContact SG-CB 3.32Å; C14-C29 CovalentContact SG-SG 2.02Å; C14-C29 PolarHBondContact SG-SG 2.82Å; E26-C29 PolarHBondContact O-SG 3.3Å; A27-C29 PolarHBondContact O-N 2.61Å; C29-Q31 PolarHBondContact O-N 3.21Å; C29-Q31 VanDerWaalsContact O-N 3.08Å; C29-K32 PolarHBondContact O-N 3.11Å; C29-H33 WeakPolarHBondContact O-CB 3.02Å; C29-H33 PolarHBondContact O-N 3.33Å
30S60.7Low73.7Confident103 Ų10380.7 Ų80.772%0.7243%0.429SS*.Hα-helixtrans-60.4-20.7175.9-35.30000114.1N28N28-S30 PolarHBondContact O-N 2.63Å; N28-S30 VanDerWaalsContact O-N 3.17Å
31Q56.3Low74.3Confident131 Ų13185 Ų8561%0.61246%0.459SS*.Hα-helixtrans-110.9-26.3174.5-64.8-167.6-15.100113.2N28 C29N28-Q31 PolarHBondContact ND2-OE1 2.91Å; N28-Q31 PolarHBondContact O-N 3.11Å; N28-Q31 WeakPolarHBondContact OD1-CB 3.42Å; N28-Q31 WeakPolarHBondContact OD1-CG 3.24Å; C29-Q31 PolarHBondContact O-N 3.21Å; C29-Q31 VanDerWaalsContact O-N 3.08Å
32K55.8Low74.8Confident95 Ų9578.1 Ų78.141%0.41343%0.428SS..Hα-helixtrans-79.3-32.5177.1-70.4-174.6178.4-177.30113.9V13 T24 A27 N28 C29V13-K32 HydrophobicContact CG1-CD 4.17Å; T24-K32 PolarHBondContact O-NZ 3.22Å; A27-K32 WeakPolarHBondContact O-CD 3.39Å; A27-K32 VanDerWaalsContact O-CE 3.27Å; A27-K32 WeakPolarHBondContact O-CE 2.99Å; A27-K32 PolarHBondContact O-NZ 3.47Å; N28-K32 PolarHBondContact O-N 3.2Å; C29-K32 PolarHBondContact O-N 3.11Å
33H51.8Low75.2Confident111 Ų11179 Ų7951%0.51444%0.437SS..THydrogen-bonded Turntrans-94.824.4178.5-88.9-128.4000113.3V13 C14 C29 E35V13-H33 PolarHBondContact O-NE2 3.19Å; C14-H33 WeakPolarHBondContact CB-CD2 3.39Å; C14-H33 WeakPolarHBondContact CB-NE2 3.41Å; C14-H33 PolarHBondContact O-CE1 3.01Å; C14-H33 VanDerWaalsContact O-CE1 3.28Å; C14-H33 PolarHBondContact O-NE2 3.19Å; C29-H33 WeakPolarHBondContact O-CB 3.02Å; C29-H33 PolarHBondContact O-N 3.33Å; H33-E35 VanDerWaalsContact C-N 3.27Å; H33-E35 PolarHBondContact O-N 3.11Å
34K48.5Very low75.9Confident170 Ų17079.5 Ų79.574%0.73944%0.439SS*.  trans-81.7-1.6-178.1-116-177.5-177.6-176.50114.4
35E61.4Low76.6Confident114 Ų11478.9 Ų78.953%0.53344%0.439SS..SBendtrans-99.8-23-158.8-66.9-171.4157.700115.7H33 Q60H33-E35 VanDerWaalsContact C-N 3.27Å; H33-E35 PolarHBondContact O-N 3.11Å; E35-Q60 PolarHBondContact OE2-NE2 2.87Å
36C80.1Confident77.5Confident44 Ų4484 Ų8430%0.29746%0.459SS..SBendtrans176.3173.1172.245.70000112.5P50 C62 W64C36-P50 HydrophobicContact CB-CG 3.89Å; C36-C62 HydrophobicContact CB-CB 3.55Å; C36-C62 WeakPolarHBondContact CB-SG 3.08Å; C36-C62 VanDerWaalsContact SG-CA 3.55Å; C36-C62 WeakPolarHBondContact SG-CB 3.02Å; C36-C62 CovalentContact SG-SG 1.99Å; C36-C62 PolarHBondContact SG-SG 2.89Å; C36-W64 HydrophobicContact CB-CZ2 4.11Å
37G86Confident78.2Confident21 Ų2181.8 Ų81.822%0.21645%0.449CS..  trans95.5-157.5175.400000115.4V63 W64G37-V63 CarbonylContact C-O 3.56Å; G37-V63 WeakPolarHBondContact CA-O 2.93Å; G37-W64 VanDerWaalsContact CA-NE1 3.31Å
38G87.3Confident79Confident39 Ų3980.5 Ų80.540%0.40244%0.438SS..EExtended strand (participates in β ladder)trans108.3177.7173.400000115.1V63 W64 H65G38-V63 PolarHBondContact N-O 2.98Å; G38-W64 WeakPolarHBondContact O-CA 3.07Å; G38-H65 PolarHBondContact O-N 3.06Å; G38-H65 VanDerWaalsContact O-N 3.08Å
39Q90.8Very high80.2Confident168 Ų16876.5 Ų76.579%0.78542%0.417SS*.EExtended strand (participates in β ladder)trans-79.3136.4175.5-65.8-164.4-12.100111.4H65Q39-H65 CarbonylContact C-O 3.59Å; Q39-H65 WeakPolarHBondContact CA-O 2.96Å; Q39-H65 HydrophobicContact CG-CB 4.34Å
40K93.1Very high81.3Confident70 Ų7075.3 Ų75.330%0.30441%0.409SS..EExtended strand (participates in β ladder)trans-124.6121.2177.5-62.6-61.9-178.5-173.90108.5H65 I66 S67 Y146K40-H65 PolarHBondContact N-O 3.49Å; K40-I66 HydrophobicContact CB-CG1 4.25Å; K40-I66 HydrophobicContact CB-CG2 4.47Å; K40-I66 CarbonylContact O-C 3.56Å; K40-I66 WeakPolarHBondContact O-CA 3.43Å; K40-S67 PolarHBondContact O-N 3.01Å; K40-Y146 HydrophobicContact CB-CE1 3.96Å; K40-Y146 HydrophobicContact CG-CE1 4.36Å
41S93.5Very high82.5Confident97 Ų9775.3 Ų75.368%0.67840%0.401SS*.EExtended strand (participates in β ladder)trans-124.5148.417758.30000111.2S67S41-S67 WeakPolarHBondContact CA-O 3.06Å
42G92.1Very high83.9Confident24 Ų2471 Ų7125%0.24738%0.381CS..SBendtrans114.2175.4174.100000114.4H44 S67 Y146G42-H44 VanDerWaalsContact C-N 3.28Å; G42-H44 PolarHBondContact O-N 2.81Å; G42-S67 PolarHBondContact N-O 2.93Å; G42-Y146 WeakPolarHBondContact O-CE2 3.29Å
43P93.1Very high85.7Confident81 Ų8171.1 Ų71.153%0.52639%0.391SS..SBendtrans-76.2-10.9-164.529.5-36.4000114.7R147 A148P43-R147 CarbonylContact O-C 3.4Å; P43-R147 WeakPolarHBondContact O-CA 3.47Å; P43-A148 HydrophobicContact CB-CB 4.15Å; P43-A148 PolarHBondContact O-N 2.84Å
44H96Very high87.4Confident140 Ų14075 Ų7565%0.64840%0.401SS*.EExtended strand (participates in β ladder)trans-156.1156.4173.957.4-87.1000109.6G42 Y146G42-H44 VanDerWaalsContact C-N 3.28Å; G42-H44 PolarHBondContact O-N 2.81Å; H44-Y146 CarbonylContact C-O 3.55Å; H44-Y146 VanDerWaalsContact CA-O 3.25Å; H44-Y146 WeakPolarHBondContact CA-O 3.21Å
45G95.3Very high89.1Confident20 Ų2070.5 Ų70.521%0.20639%0.39CS..EExtended strand (participates in β ladder)trans-172.6-174.7171.800000112.9T145 Y146G45-T145 CarbonylContact O-C 3.56Å; G45-T145 VanDerWaalsContact O-CA 3.31Å; G45-T145 WeakPolarHBondContact O-CA 3.25Å; G45-Y146 VanDerWaalsContact CA-CZ 3.48Å; G45-Y146 PolarHBondContact N-O 3.1Å; G45-Y146 PolarHBondContact O-N 3Å
46Y94.1Very high90.3Very high112 Ų11265.2 Ų65.244%0.43937%0.365SS..EExtended strand (participates in β ladder)trans-136.8140.6-169.4173.8-83.8000109.9A48 N143 T145Y46-A48 HydrophobicContact CE1-CB 3.53Å; Y46-A48 WeakPolarHBondContact OH-CB 3.39Å; Y46-N143 WeakPolarHBondContact CD2-OD1 3.25Å; Y46-N143 HydrophobicContact CE2-CB 4.38Å; Y46-N143 VanDerWaalsContact CE2-ND2 3.29Å; Y46-N143 WeakPolarHBondContact CE2-ND2 3.38Å; Y46-N143 WeakPolarHBondContact CE2-OD1 3.07Å; Y46-N143 VanDerWaalsContact CZ-CG 3.49Å; Y46-N143 PolarHBondContact OH-ND2 3.12Å; Y46-N143 VanDerWaalsContact OH-ND2 3.11Å; Y46-T145 HydrophobicContact CD2-CG2 4.14Å
47L94.4Very high90.5Very high3 Ų364.9 Ų64.92%0.01636%0.362CS..EExtended strand (participates in β ladder)trans-140.9144.7174.354.491.5000109.8W64 I66 L76 V129 F142 A144 Y146L47-W64 HydrophobicContact CB-CD2 4.27Å; L47-W64 HydrophobicContact CB-CG 4.32Å; L47-I66 HydrophobicContact CD2-CD1 3.74Å; L47-L76 HydrophobicContact CD1-CD1 4.41Å; L47-L76 HydrophobicContact CD2-CD1 3.97Å; L47-L76 HydrophobicContact CG-CD1 4.41Å; L47-V129 HydrophobicContact CD1-CG1 4.48Å; L47-V129 HydrophobicContact CD2-CG2 4.26Å; L47-F142 HydrophobicContact CD1-CD2 4.29Å; L47-F142 HydrophobicContact CD1-CE2 3.54Å; L47-A144 HydrophobicContact CD1-CB 3.69Å; L47-A144 HydrophobicContact CG-CB 4.29Å; L47-A144 PolarHBondContact N-O 3.06Å; L47-A144 PolarHBondContact O-N 2.91Å; L47-A144 VanDerWaalsContact O-O 3.07Å; L47-Y146 HydrophobicContact CD2-CD1 4.45Å
48A94.5Very high90.2Very high20 Ų2068 Ų6817%0.16537%0.37CS..EExtended strand (participates in β ladder)trans-151.8154.4179.900000110Y46 H52 W64 F142 N143Y46-A48 HydrophobicContact CE1-CB 3.53Å; Y46-A48 WeakPolarHBondContact OH-CB 3.39Å; A48-H52 HydrophobicContact CB-CB 4.18Å; A48-W64 WeakPolarHBondContact O-CZ2 3.09Å; A48-F142 CarbonylContact C-O 3.56Å; A48-F142 WeakPolarHBondContact CA-O 3.37Å; A48-F142 VanDerWaalsContact CB-O 3.32Å; A48-F142 WeakPolarHBondContact CB-O 3.31Å; A48-N143 HydrophobicContact CB-CB 4.32Å
49S93.4Very high89.8Confident5 Ų571.1 Ų71.14%0.03538%0.375CS..  trans-60.1153.6168.960.40000110.3H52 G141 F142S49-H52 WeakPolarHBondContact O-CB 3.37Å; S49-H52 PolarHBondContact O-N 2.03Å; S49-G141 VanDerWaalsContact OG-CA 3.29Å; S49-G141 WeakPolarHBondContact OG-CA 3.48Å; S49-F142 PolarHBondContact N-O 2.96Å; S49-F142 PolarHBondContact OG-N 2.97Å; S49-F142 PolarHBondContact OG-O 3.21Å
50P88.7Confident89.1Confident14 Ų1464 Ų649%0.09134%0.341CS..THydrogen-bonded Turntrans-56.1147.1174.7-10.719000110.7C36 H52 P57 Q60C36-P50 HydrophobicContact CB-CG 3.89Å; P50-H52 PolarHBondContact O-N 3.32Å; P50-P57 HydrophobicContact CB-CG 4.11Å; P50-Q60 HydrophobicContact CG-CG 4.44Å
51N85.8Confident88.8Confident103 Ų10362.5 Ų62.555%0.55134%0.34SS*.THydrogen-bonded Turntrans63.3-2.5179.8-59.7-30.2000117.6R54 P55N51-R54 CarbonylContact C-O 3.6Å; N51-R54 HydrophobicContact CB-CB 4.25Å; N51-R54 WeakPolarHBondContact O-CA 3.34Å; N51-R54 VanDerWaalsContact O-CB 3.27Å; N51-R54 WeakPolarHBondContact O-CB 3.38Å; N51-R54 PolarHBondContact O-N 3.35Å; N51-P55 WeakPolarHBondContact CB-O 3.23Å
52H87.3Confident88.7Confident41 Ų4157.9 Ų57.919%0.1931%0.308CS..THydrogen-bonded Turntrans-49.7130.7-179.5-174.577000112.2A48 S49 P50 N80 S140A48-H52 HydrophobicContact CB-CB 4.18Å; S49-H52 WeakPolarHBondContact O-CB 3.37Å; S49-H52 PolarHBondContact O-N 2.03Å; P50-H52 PolarHBondContact O-N 3.32Å; H52-N80 PolarHBondContact CE1-OD1 3.04Å; H52-N80 VanDerWaalsContact CE1-OD1 3.29Å; H52-S140 PolarHBondContact ND1-O 3.03Å
53P92.3Very high88.6Confident97 Ų9758.3 Ų58.363%0.6331%0.306SS*.THydrogen-bonded Turncis-90.810.911.437.6-38000115.4S140P53-S140 VanDerWaalsContact O-CB 3.22Å; P53-S140 WeakPolarHBondContact O-CB 3.43Å
54R87.4Confident88.6Confident191 Ų19154.9 Ų54.972%0.72128%0.282SS*.SBendtrans-79.4164.3171.5-61.5-175.8177-167.8-1110.3N51 Y56N51-R54 CarbonylContact C-O 3.6Å; N51-R54 HydrophobicContact CB-CB 4.25Å; N51-R54 WeakPolarHBondContact O-CA 3.34Å; N51-R54 VanDerWaalsContact O-CB 3.27Å; N51-R54 WeakPolarHBondContact O-CB 3.38Å; N51-R54 PolarHBondContact O-N 3.35Å; R54-Y56 PolarHBondContact O-N 2.05Å
55P85.1Confident88.5Confident77 Ų7751.2 Ų51.250%0.527%0.265SS..PPolyproline II helixtrans-54135.6178.5-28.535.9000113.6N51 A138 D139N51-P55 WeakPolarHBondContact CB-O 3.23Å; P55-A138 HydrophobicContact CB-CB 4.34Å; P55-D139 WeakPolarHBondContact CA-O 3.03Å
56Y87.3Confident88.5Confident3 Ų350.4 Ų50.41%0.01226%0.256CS..PPolyproline II helixtrans-67.5150.6174.850-93.7000110.5R54 L83 E84 D92 F131 A133 A138 D139 G141R54-Y56 PolarHBondContact O-N 2.05Å; Y56-L83 HydrophobicContact CD1-CD2 4.1Å; Y56-L83 HydrophobicContact CE1-CD2 3.42Å; Y56-L83 VanDerWaalsContact CE1-CD2 3.42Å; Y56-E84 PolarHBondContact OH-N 3.47Å; Y56-D92 WeakPolarHBondContact CE2-OD2 3.43Å; Y56-D92 PolarHBondContact OH-OD2 3.35Å; Y56-F131 HydrophobicContact CD1-CZ 4.03Å; Y56-F131 HydrophobicContact CD2-CE1 4.34Å; Y56-F131 AromaticContact CD2-CZ 3.73Å; Y56-F131 HydrophobicContact CD2-CZ 3.73Å; Y56-F131 HydrophobicContact CE1-CZ 4.33Å; Y56-F131 HydrophobicContact CE2-CZ 4.04Å; Y56-F131 HydrophobicContact CG-CE1 4.22Å; Y56-F131 AromaticContact CG-CZ 3.73Å; Y56-F131 HydrophobicContact CG-CZ 3.73Å; Y56-A133 HydrophobicContact CD2-CB 3.73Å; Y56-A133 HydrophobicContact CE2-CB 3.68Å; Y56-A138 HydrophobicContact CD2-CB 3.8Å; Y56-A138 HydrophobicContact CE2-CB 3.6Å; Y56-A138 HydrophobicContact CG-CB 4.36Å; Y56-A138 WeakPolarHBondContact O-CB 3.36Å; Y56-D139 WeakPolarHBondContact CD1-O 3.06Å; Y56-D139 HydrophobicContact CE1-CB 4.27Å; Y56-D139 WeakPolarHBondContact CE1-O 3.37Å; Y56-D139 PolarHBondContact N-O 3.33Å; Y56-D139 PolarHBondContact OH-N 3.17Å; Y56-G141 VanDerWaalsContact CD1-CA 3.48Å
57P82.7Confident88.6Confident37 Ų3747 Ų4724%0.2425%0.248CC..PPolyproline II helixtrans-65.4152.8172.3-11.724.5000111.2P50 Q60P50-P57 HydrophobicContact CB-CG 4.11Å; P57-Q60 HydrophobicContact CB-CG 3.75Å; P57-Q60 HydrophobicContact CG-CG 4.1Å; P57-Q60 WeakPolarHBondContact O-CG 3.47Å
58H80.8Confident88.6Confident85 Ų8547.4 Ų47.439%0.39425%0.251SS..SBendtrans-70.4160.6170.6-54.5-57.7000111.3Q60 D134 G136 A138H58-Q60 VanDerWaalsContact C-N 3.27Å; H58-Q60 PolarHBondContact O-N 3.46Å; H58-D134 CarbonylContact C-O 3.56Å; H58-D134 WeakPolarHBondContact CA-O 3.04Å; H58-D134 VanDerWaalsContact CB-O 3.3Å; H58-D134 WeakPolarHBondContact CB-O 3.45Å; H58-G136 PolarHBondContact CE1-O 2.8Å; H58-G136 PolarHBondContact ND1-O 2.78Å; H58-A138 VanDerWaalsContact CE1-CB 3.46Å; H58-A138 WeakPolarHBondContact CE1-CB 3.47Å
59Q78.6Confident88.5Confident106 Ų10652 Ų5250%0.49527%0.273SS..SBendtrans58.337.1175.8-63161.552.200113.3A133 D134 E135Q59-A133 CarbonylContact C-O 3.54Å; Q59-A133 WeakPolarHBondContact CA-O 3.48Å; Q59-A133 PolarHBondContact N-O 3.46Å; Q59-D134 PolarHBondContact N-O 3.28Å; Q59-E135 HydrophobicContact CG-CB 4.44Å; Q59-E135 HydrophobicContact CG-CG 3.64Å; Q59-E135 VanDerWaalsContact NE2-CD 3.3Å; Q59-E135 VanDerWaalsContact NE2-CG 3.34Å; Q59-E135 PolarHBondContact NE2-OE1 3.22Å; Q59-E135 PolarHBondContact OE1-OE1 2.72Å
60Q76.6Confident88.1Confident17 Ų1760 Ų608%0.07931%0.31CS..  trans-94.7142.8-178.3-66.7-67-44.600110.7E35 P50 P57 H58 F131 V132 A133E35-Q60 PolarHBondContact OE2-NE2 2.87Å; P50-Q60 HydrophobicContact CG-CG 4.44Å; P57-Q60 HydrophobicContact CB-CG 3.75Å; P57-Q60 HydrophobicContact CG-CG 4.1Å; P57-Q60 WeakPolarHBondContact O-CG 3.47Å; H58-Q60 VanDerWaalsContact C-N 3.27Å; H58-Q60 PolarHBondContact O-N 3.46Å; Q60-F131 HydrophobicContact CB-CE1 4.4Å; Q60-V132 CarbonylContact O-C 3.54Å; Q60-V132 WeakPolarHBondContact O-CA 3.4Å; Q60-A133 HydrophobicContact CB-CB 4.2Å; Q60-A133 PolarHBondContact N-O 3.23Å; Q60-A133 PolarHBondContact O-N 3.31Å
61S87.3Confident87.7Confident40 Ų4061.5 Ų61.528%0.2833%0.328SS..EExtended strand (participates in β ladder)trans-138.8105170.4-177.70000108.4F131S61-F131 CarbonylContact C-O 3.4Å; S61-F131 WeakPolarHBondContact CA-O 3.34Å
62C89.4Confident87.7Confident0 Ų059.3 Ų59.30%031%0.314CS..EExtended strand (participates in β ladder)trans-111.6127.7-177.3-47.10000109.5C36 W64 V130 F131C36-C62 HydrophobicContact CB-CB 3.55Å; C36-C62 WeakPolarHBondContact CB-SG 3.08Å; C36-C62 VanDerWaalsContact SG-CA 3.55Å; C36-C62 WeakPolarHBondContact SG-CB 3.02Å; C36-C62 CovalentContact SG-SG 1.99Å; C36-C62 PolarHBondContact SG-SG 2.89Å; C62-W64 HydrophobicContact CB-CE3 4.25Å; C62-W64 HydrophobicContact CB-CH2 3.25Å; C62-W64 HydrophobicContact CB-CZ2 3.86Å; C62-W64 HydrophobicContact CB-CZ3 3.47Å; C62-W64 VanDerWaalsContact CB-CZ3 3.47Å; C62-V130 CarbonylContact O-C 3.58Å; C62-V130 WeakPolarHBondContact O-CA 3.39Å; C62-F131 HydrophobicContact CB-CB 4.16Å; C62-F131 HydrophobicContact CB-CD1 4.37Å; C62-F131 PolarHBondContact N-O 3.17Å; C62-F131 PolarHBondContact O-N 3.33Å
63V90.4Very high87.9Confident33 Ų3357.4 Ų57.420%0.231%0.305CS..EExtended strand (participates in β ladder)trans-122.4123.9176.9-1740000109.7G37 G38 H65 I102 T128 V129 V130G37-V63 CarbonylContact C-O 3.56Å; G37-V63 WeakPolarHBondContact CA-O 2.93Å; G38-V63 PolarHBondContact N-O 2.98Å; V63-H65 WeakPolarHBondContact CG1-NE2 3.39Å; V63-I102 HydrophobicContact CG1-CD1 3.93Å; V63-I102 HydrophobicContact CG1-CG1 4.39Å; V63-I102 HydrophobicContact CG2-CD1 3.94Å; V63-T128 HydrophobicContact CG1-CG2 3.81Å; V63-V129 WeakPolarHBondContact CA-O 3.23Å; V63-V130 HydrophobicContact CG1-CG2 4.42Å; V63-V130 HydrophobicContact CG2-CG1 4.43Å
64W93.6Very high88Confident8 Ų852.8 Ų52.83%0.0328%0.275CS..EExtended strand (participates in β ladder)trans-110.5123.7172.5-62.9-87.8000110.3C36 G37 G38 L47 A48 C62 T128 V129 F131 F142C36-W64 HydrophobicContact CB-CZ2 4.11Å; G37-W64 VanDerWaalsContact CA-NE1 3.31Å; G38-W64 WeakPolarHBondContact O-CA 3.07Å; L47-W64 HydrophobicContact CB-CD2 4.27Å; L47-W64 HydrophobicContact CB-CG 4.32Å; A48-W64 WeakPolarHBondContact O-CZ2 3.09Å; C62-W64 HydrophobicContact CB-CE3 4.25Å; C62-W64 HydrophobicContact CB-CH2 3.25Å; C62-W64 HydrophobicContact CB-CZ2 3.86Å; C62-W64 HydrophobicContact CB-CZ3 3.47Å; C62-W64 VanDerWaalsContact CB-CZ3 3.47Å; W64-T128 CarbonylContact O-C 3.5Å; W64-T128 WeakPolarHBondContact O-CA 3.2Å; W64-V129 HydrophobicContact CB-CB 4.37Å; W64-V129 HydrophobicContact CE3-CB 4.18Å; W64-V129 HydrophobicContact CE3-CG1 4.07Å; W64-V129 HydrophobicContact CZ3-CG1 4.49Å; W64-V129 PolarHBondContact N-O 2.77Å; W64-V129 PolarHBondContact O-N 3.09Å; W64-F131 HydrophobicContact CH2-CB 4.23Å; W64-F131 HydrophobicContact CZ3-CB 3.81Å; W64-F142 AromaticContact CH2-CZ 3.75Å; W64-F142 HydrophobicContact CH2-CZ 3.75Å; W64-F142 AromaticContact CZ3-CZ 3.81Å; W64-F142 HydrophobicContact CZ3-CZ 3.81Å
65H93.6Very high88.3Confident64 Ų6444.1 Ų44.130%0.29624%0.243SC..EExtended strand (participates in β ladder)trans-102.3111.1172.2-58.6-83.2000108.6G38 Q39 K40 V63 S100G38-H65 PolarHBondContact O-N 3.06Å; G38-H65 VanDerWaalsContact O-N 3.08Å; Q39-H65 CarbonylContact C-O 3.59Å; Q39-H65 WeakPolarHBondContact CA-O 2.96Å; Q39-H65 HydrophobicContact CG-CB 4.34Å; K40-H65 PolarHBondContact N-O 3.49Å; V63-H65 WeakPolarHBondContact CG1-NE2 3.39Å; H65-S100 PolarHBondContact ND1-O 3.02Å; H65-S100 VanDerWaalsContact ND1-O 3.08Å
66I95.8Very high88.7Confident3 Ų340.4 Ų40.42%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-101.7128.7-176.5-49.3173.7000108.7K40 L47 I74 Y126 M127 V129 Y146K40-I66 HydrophobicContact CB-CG1 4.25Å; K40-I66 HydrophobicContact CB-CG2 4.47Å; K40-I66 CarbonylContact O-C 3.56Å; K40-I66 WeakPolarHBondContact O-CA 3.43Å; L47-I66 HydrophobicContact CD2-CD1 3.74Å; I66-I74 HydrophobicContact CB-CD1 4.06Å; I66-I74 HydrophobicContact CG2-CD1 3.76Å; I66-I74 HydrophobicContact CG2-CG1 4.37Å; I66-I74 HydrophobicContact CG2-CG2 4.2Å; I66-Y126 WeakPolarHBondContact O-CA 3.49Å; I66-M127 WeakPolarHBondContact CA-O 3.36Å; I66-M127 HydrophobicContact CB-CB 4.43Å; I66-M127 WeakPolarHBondContact CB-O 3.32Å; I66-M127 PolarHBondContact N-O 2.03Å; I66-M127 PolarHBondContact O-N 3.24Å; I66-V129 HydrophobicContact CD1-CG2 4.11Å; I66-Y146 HydrophobicContact CD1-CD1 3.94Å; I66-Y146 HydrophobicContact CD1-CE1 4.47Å; I66-Y146 HydrophobicContact CD1-CG 4.17Å; I66-Y146 HydrophobicContact CG2-CD1 4.18Å; I66-Y146 HydrophobicContact CG2-CD2 3.69Å; I66-Y146 HydrophobicContact CG2-CE1 4.08Å; I66-Y146 HydrophobicContact CG2-CE2 3.61Å; I66-Y146 HydrophobicContact CG2-CG 4Å
67S95.3Very high89Confident39 Ų3940.4 Ų40.427%0.27322%0.22SC..EExtended strand (participates in β ladder)trans-128.8139.3173.760.60000112K40 S41 G42 P125K40-S67 PolarHBondContact O-N 3.01Å; S41-S67 WeakPolarHBondContact CA-O 3.06Å; G42-S67 PolarHBondContact N-O 2.93Å; S67-P125 WeakPolarHBondContact CA-O 3.34Å
68V95Very high89.5Confident13 Ų1339.4 Ų39.48%0.07921%0.212CC..  trans-124.3170173.9-62.30000110.1H72 I74 P125 A148V68-H72 HydrophobicContact CB-CB 4.34Å; V68-H72 HydrophobicContact CG2-CB 3.81Å; V68-I74 HydrophobicContact CB-CG1 4.3Å; V68-I74 HydrophobicContact CG1-CD1 4.19Å; V68-I74 HydrophobicContact CG1-CG1 3.62Å; V68-I74 HydrophobicContact CG2-CD1 4.21Å; V68-I74 HydrophobicContact CG2-CG1 3.69Å; V68-P125 HydrophobicContact CG2-CB 3.84Å; V68-P125 PolarHBondContact N-O 2.98Å; V68-A148 HydrophobicContact CB-CB 4.06Å; V68-A148 HydrophobicContact CG1-CB 3.77Å
69D91.9Very high90.1Very high117 Ų11742.5 Ų42.563%0.62622%0.22SC*.  trans-63.5150.9177.2-63.3-32.4000111.2H72D69-H72 WeakPolarHBondContact O-CB 3.26Å; D69-H72 PolarHBondContact O-N 3.46Å; D69-H72 PolarHBondContact O-ND1 2.81Å
70E85.9Confident90.8Very high173 Ų17340.2 Ų40.281%0.80821%0.211SC*.THydrogen-bonded Turntrans-54.9146.1175-65.8-171.9169.100111.7H72E70-H72 VanDerWaalsContact C-N 3.25Å; E70-H72 PolarHBondContact O-N 3.21Å; E70-H72 PolarHBondContact O-ND1 2.94Å
71G79.9Confident91.7Very high45 Ų4539.7 Ų39.746%0.46421%0.209SC..THydrogen-bonded Turntrans77.18.2-173.900000114.7V151G71-V151 WeakPolarHBondContact O-CB 3.06Å; G71-V151 WeakPolarHBondContact O-CG2 3.37Å; G71-V151 PolarHBondContact O-N 3.34Å
72H86.7Confident92Very high56 Ų5638.8 Ų38.826%0.25920%0.202SC..EExtended strand (participates in β ladder)trans-118.2152168.9-6274.2000111.1V68 D69 E70 P125 A148 V149 S150V68-H72 HydrophobicContact CB-CB 4.34Å; V68-H72 HydrophobicContact CG2-CB 3.81Å; D69-H72 WeakPolarHBondContact O-CB 3.26Å; D69-H72 PolarHBondContact O-N 3.46Å; D69-H72 PolarHBondContact O-ND1 2.81Å; E70-H72 VanDerWaalsContact C-N 3.25Å; E70-H72 PolarHBondContact O-N 3.21Å; E70-H72 PolarHBondContact O-ND1 2.94Å; H72-P125 WeakPolarHBondContact O-CA 3.25Å; H72-A148 HydrophobicContact CB-CB 4.09Å; H72-V149 VanDerWaalsContact CA-O 3.32Å; H72-V149 WeakPolarHBondContact CA-O 3.05Å; H72-S150 WeakPolarHBondContact CD2-CA 3.44Å; H72-S150 PolarHBondContact CD2-N 2.98Å; H72-S150 VanDerWaalsContact CD2-N 3.34Å
73V90.1Very high92.3Very high2 Ų238.8 Ų38.81%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-115.4161.3167.7-63.20000110.3T121 S122 A148 V149 V151 T165V73-T121 HydrophobicContact CB-CG2 4.45Å; V73-T121 HydrophobicContact CG2-CG2 3.98Å; V73-S122 WeakPolarHBondContact CB-O 3.37Å; V73-S122 WeakPolarHBondContact CG1-O 3.43Å; V73-A148 CarbonylContact O-C 3.56Å; V73-A148 WeakPolarHBondContact O-CA 3.35Å; V73-V149 HydrophobicContact CG2-CB 4.19Å; V73-V149 PolarHBondContact N-O 3.36Å; V73-V149 PolarHBondContact O-N 3.21Å; V73-V151 HydrophobicContact CG1-CG2 3.96Å; V73-T165 WeakPolarHBondContact CG1-O 3.48Å
74I94.6Very high92.4Very high0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-102.5121.9-175.4-60161.7000108.3I66 V68 T121 S122 P125 M127 Y146I66-I74 HydrophobicContact CB-CD1 4.06Å; I66-I74 HydrophobicContact CG2-CD1 3.76Å; I66-I74 HydrophobicContact CG2-CG1 4.37Å; I66-I74 HydrophobicContact CG2-CG2 4.2Å; V68-I74 HydrophobicContact CB-CG1 4.3Å; V68-I74 HydrophobicContact CG1-CD1 4.19Å; V68-I74 HydrophobicContact CG1-CG1 3.62Å; V68-I74 HydrophobicContact CG2-CD1 4.21Å; V68-I74 HydrophobicContact CG2-CG1 3.69Å; I74-T121 CarbonylContact O-C 3.24Å; I74-T121 VanDerWaalsContact O-CA 3.29Å; I74-T121 WeakPolarHBondContact O-CA 3.4Å; I74-S122 WeakPolarHBondContact CB-OG 3.25Å; I74-S122 PolarHBondContact N-OG 3.49Å; I74-S122 PolarHBondContact O-N 2.94Å; I74-S122 PolarHBondContact O-OG 2.03Å; I74-P125 WeakPolarHBondContact CD1-O 3.45Å; I74-M127 HydrophobicContact CB-CB 4.28Å; I74-M127 HydrophobicContact CB-CE 4.21Å; I74-M127 HydrophobicContact CD1-CB 3.71Å; I74-M127 HydrophobicContact CG2-CB 4.27Å; I74-M127 HydrophobicContact CG2-CE 4.15Å; I74-M127 HydrophobicContact CG2-SD 3.95Å; I74-M127 WeakPolarHBondContact O-CE 3.17Å; I74-Y146 HydrophobicContact CG2-CD2 4.31Å; I74-Y146 HydrophobicContact CG2-CG 4.46Å
75T93.6Very high92.1Very high8 Ų843.2 Ų43.25%0.04923%0.228CC..EExtended strand (participates in β ladder)trans-103.8122.1166.9-59.10000109.4D119 L120 T121 Y146 R147T75-D119 HydrophobicContact CG2-CB 4.45Å; T75-L120 CarbonylContact C-O 3.54Å; T75-L120 VanDerWaalsContact CA-O 3.29Å; T75-L120 WeakPolarHBondContact CA-O 3.42Å; T75-T121 PolarHBondContact OG1-OG1 2.02Å; T75-Y146 CarbonylContact O-C 3.51Å; T75-Y146 VanDerWaalsContact O-CA 3.26Å; T75-Y146 WeakPolarHBondContact O-CA 3.26Å; T75-R147 PolarHBondContact N-O 2.81Å; T75-R147 PolarHBondContact O-N 3.38Å
76L94.4Very high91.3Very high0 Ų042.9 Ų42.90%023%0.227CC..EExtended strand (participates in β ladder)trans-102.6128.5176.7-176.470.6000110.1L47 F78 V96 D119 L120 M127 V129 A144L47-L76 HydrophobicContact CD1-CD1 4.41Å; L47-L76 HydrophobicContact CD2-CD1 3.97Å; L47-L76 HydrophobicContact CG-CD1 4.41Å; L76-F78 HydrophobicContact CD2-CE2 4.02Å; L76-F78 HydrophobicContact CD2-CZ 4.14Å; L76-F78 HydrophobicContact CG-CE2 4.43Å; L76-V96 HydrophobicContact CD2-CG1 4.32Å; L76-V96 HydrophobicContact CD2-CG2 4.05Å; L76-D119 WeakPolarHBondContact O-CA 3.45Å; L76-L120 PolarHBondContact N-O 3.41Å; L76-L120 PolarHBondContact O-N 2.8Å; L76-M127 HydrophobicContact CB-SD 3.87Å; L76-M127 HydrophobicContact CD2-SD 4.28Å; L76-V129 HydrophobicContact CD2-CG2 3.85Å; L76-A144 HydrophobicContact CD1-CB 3.85Å; L76-A144 HydrophobicContact CG-CB 4.37Å
77S93.4Very high90Very high3 Ų350.4 Ų50.42%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-128.3124.1179.7-63.20000110.9D119 A144 T145S77-D119 WeakPolarHBondContact CA-OD1 3.46Å; S77-D119 WeakPolarHBondContact CB-OD1 3.3Å; S77-D119 PolarHBondContact OG-OD1 2.73Å; S77-D119 PolarHBondContact OG-OD2 3.47Å; S77-A144 CarbonylContact O-C 3.54Å; S77-A144 VanDerWaalsContact O-CA 3.25Å; S77-A144 WeakPolarHBondContact O-CA 3.41Å; S77-A144 WeakPolarHBondContact O-CB 3.15Å; S77-T145 PolarHBondContact N-O 3.37Å; S77-T145 PolarHBondContact O-N 2.63Å
78F93.3Very high89.2Confident15 Ų1552.8 Ų52.87%0.06628%0.28CS..EExtended strand (participates in β ladder)trans-79.3135.5174.4-68.7-93.5000111.1L76 F81 V94 F116 P117 L120 F142 A144L76-F78 HydrophobicContact CD2-CE2 4.02Å; L76-F78 HydrophobicContact CD2-CZ 4.14Å; L76-F78 HydrophobicContact CG-CE2 4.43Å; F78-F81 AromaticContact CD1-CD2 3.68Å; F78-F81 HydrophobicContact CD1-CD2 3.68Å; F78-F81 HydrophobicContact CD1-CE2 4.27Å; F78-F81 AromaticContact CE1-CD2 3.91Å; F78-F81 HydrophobicContact CE1-CD2 3.91Å; F78-F81 HydrophobicContact CE1-CE2 4.04Å; F78-F81 HydrophobicContact CG-CD2 4.36Å; F78-V94 HydrophobicContact CE1-CG1 4.3Å; F78-V94 HydrophobicContact CZ-CG1 3.94Å; F78-F116 HydrophobicContact CB-CD1 4.47Å; F78-P117 HydrophobicContact CD1-CG 4.47Å; F78-P117 HydrophobicContact CD2-CB 3.66Å; F78-P117 HydrophobicContact CD2-CG 3.78Å; F78-P117 HydrophobicContact CE2-CB 3.87Å; F78-P117 HydrophobicContact CE2-CG 3.99Å; F78-P117 HydrophobicContact CG-CB 4.36Å; F78-P117 HydrophobicContact CG-CG 4.04Å; F78-P117 HydrophobicContact CZ-CG 4.42Å; F78-L120 HydrophobicContact CE2-CD1 4.5Å; F78-F142 HydrophobicContact CD1-CB 4.25Å; F78-F142 HydrophobicContact CD1-CD2 4.19Å; F78-F142 HydrophobicContact CD1-CG 4.49Å; F78-F142 HydrophobicContact CE1-CB 4.39Å; F78-F142 AromaticContact CE1-CD2 3.82Å; F78-F142 HydrophobicContact CE1-CD2 3.82Å; F78-F142 HydrophobicContact CE1-CE2 4.45Å; F78-F142 HydrophobicContact CE1-CG 4.2Å; F78-A144 HydrophobicContact CD1-CB 3.8Å; F78-A144 HydrophobicContact CE1-CB 4.07Å; F78-A144 HydrophobicContact CG-CB 4.1Å
79R92.5Very high88.7Confident151 Ų15153 Ų5357%0.5728%0.282SS*.EExtended strand (participates in β ladder)trans-106.4-31177.8-60.1-58.2-176.8-177.2-1.1112.2F116 N143 T145R79-F116 WeakPolarHBondContact O-CE1 2.78Å; R79-N143 PolarHBondContact N-O 2.94Å; R79-T145 HydrophobicContact CG-CG2 4.41Å; R79-T145 PolarHBondContact NE-OG1 3.46Å
80N94Very high88.4Confident57 Ų5753.7 Ų53.731%0.30528%0.281SS..EExtended strand (participates in β ladder)trans-143.3144.3169.3-166.5-101.6000109.2H52 F142 N143H52-N80 PolarHBondContact CE1-OD1 3.04Å; H52-N80 VanDerWaalsContact CE1-OD1 3.29Å; N80-F142 CarbonylContact O-C 3.56Å; N80-F142 WeakPolarHBondContact O-CA 3.49Å; N80-F142 WeakPolarHBondContact O-CB 3.4Å; N80-N143 HydrophobicContact CB-CB 4.4Å; N80-N143 PolarHBondContact N-O 3.42Å; N80-N143 PolarHBondContact O-N 3.32Å
81F94.7Very high88.3Confident6 Ų649.9 Ų49.93%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-153.7114.7-177.7-164.6-93.3000110.5F78 L83 V94 F111 G113 T115 F116 P117 F142F78-F81 AromaticContact CD1-CD2 3.68Å; F78-F81 HydrophobicContact CD1-CD2 3.68Å; F78-F81 HydrophobicContact CD1-CE2 4.27Å; F78-F81 AromaticContact CE1-CD2 3.91Å; F78-F81 HydrophobicContact CE1-CD2 3.91Å; F78-F81 HydrophobicContact CE1-CE2 4.04Å; F78-F81 HydrophobicContact CG-CD2 4.36Å; F81-L83 HydrophobicContact CE1-CD1 4.37Å; F81-L83 HydrophobicContact CE1-CG 4.37Å; F81-L83 HydrophobicContact CE2-CD1 4.03Å; F81-L83 HydrophobicContact CE2-CG 4.44Å; F81-L83 HydrophobicContact CZ-CD1 3.65Å; F81-L83 HydrophobicContact CZ-CG 4.07Å; F81-V94 HydrophobicContact CE2-CB 4.32Å; F81-V94 HydrophobicContact CE2-CG2 4.21Å; F81-F111 HydrophobicContact CE1-CB 4.28Å; F81-F111 HydrophobicContact CE2-CB 4.28Å; F81-F111 HydrophobicContact CZ-CB 3.63Å; F81-G113 WeakPolarHBondContact CD1-O 3.44Å; F81-G113 WeakPolarHBondContact CE1-O 3.02Å; F81-T115 WeakPolarHBondContact CD1-O 3.47Å; F81-F116 HydrophobicContact CB-CD1 4.38Å; F81-F116 HydrophobicContact CB-CE1 4.46Å; F81-P117 HydrophobicContact CD1-CG 4.28Å; F81-P117 HydrophobicContact CD2-CG 3.82Å; F81-P117 HydrophobicContact CE1-CG 4.28Å; F81-P117 HydrophobicContact CE2-CG 3.83Å; F81-P117 HydrophobicContact CG-CG 4.06Å; F81-P117 HydrophobicContact CZ-CG 4.08Å; F81-F142 HydrophobicContact CD2-CB 3.74Å; F81-F142 HydrophobicContact CE2-CB 4.32Å
82S95Very high88.9Confident21 Ų2147.9 Ų47.915%0.14724%0.241CC..EExtended strand (participates in β ladder)trans-153.3104.3172.9-166.60000108.4G113 D139 S140 G141S82-G113 WeakPolarHBondContact CA-O 3.44Å; S82-D139 VanDerWaalsContact O-CB 3.24Å; S82-D139 WeakPolarHBondContact O-CB 3.37Å; S82-S140 WeakPolarHBondContact CB-OG 3.48Å; S82-G141 PolarHBondContact N-O 3.16Å; S82-G141 VanDerWaalsContact O-CA 3.24Å; S82-G141 WeakPolarHBondContact O-CA 3.3Å; S82-G141 PolarHBondContact O-N 3.1Å
83L94.8Very high89.3Confident0 Ų047.1 Ų47.10%024%0.236CC..  trans-119.2169.6172.7-58.5-178.3000109.2Y56 F81 T85 D92 V94 G113 F131 F142Y56-L83 HydrophobicContact CD1-CD2 4.1Å; Y56-L83 HydrophobicContact CE1-CD2 3.42Å; Y56-L83 VanDerWaalsContact CE1-CD2 3.42Å; F81-L83 HydrophobicContact CE1-CD1 4.37Å; F81-L83 HydrophobicContact CE1-CG 4.37Å; F81-L83 HydrophobicContact CE2-CD1 4.03Å; F81-L83 HydrophobicContact CE2-CG 4.44Å; F81-L83 HydrophobicContact CZ-CD1 3.65Å; F81-L83 HydrophobicContact CZ-CG 4.07Å; L83-T85 PolarHBondContact O-N 2.86Å; L83-D92 HydrophobicContact CB-CB 4.47Å; L83-V94 HydrophobicContact CD1-CG2 3.93Å; L83-G113 PolarHBondContact N-O 2.72Å; L83-G113 CarbonylContact O-C 3.55Å; L83-G113 WeakPolarHBondContact O-CA 3.45Å; L83-G113 PolarHBondContact O-N 3.4Å; L83-F131 HydrophobicContact CD1-CD2 4.42Å; L83-F131 HydrophobicContact CD1-CE2 4.1Å; L83-F131 HydrophobicContact CD2-CE2 3.61Å; L83-F131 HydrophobicContact CD2-CZ 4.15Å; L83-F142 HydrophobicContact CD2-CD1 4.5Å
84E92.3Very high89.5Confident35 Ų3547 Ų4716%0.16424%0.235CC..  trans-49.6132.4170.9-169.7178-149.400110.7Y56 F91 D92 G113 V137Y56-E84 PolarHBondContact OH-N 3.47Å; E84-F91 VanDerWaalsContact OE2-CB 3.31Å; E84-F91 WeakPolarHBondContact OE2-CB 3.37Å; E84-D92 HydrophobicContact CB-CB 3.96Å; E84-G113 PolarHBondContact O-N 2.88Å; E84-V137 HydrophobicContact CG-CB 4.09Å; E84-V137 WeakPolarHBondContact OE1-CB 3.13Å
85T86.4Confident89.4Confident100 Ų10048.2 Ų48.261%0.61324%0.241SC*.  trans-93121.1-176.4-57.50000109.9L83 G113L83-T85 PolarHBondContact O-N 2.86Å; T85-G113 VanDerWaalsContact OG1-CA 3.29Å; T85-G113 WeakPolarHBondContact OG1-CA 3.32Å
86Q78.2Confident89.4Confident57 Ų5747.9 Ų47.927%0.26624%0.239SC..  trans-148.2156.8177-161.6-86.9-34.300110.1V88 F91Q86-V88 VanDerWaalsContact C-N 3.28Å; Q86-V88 PolarHBondContact O-N 3.27Å; Q86-F91 HydrophobicContact CG-CD2 4.23Å; Q86-F91 HydrophobicContact CG-CE2 4.24Å
87D68.9Low89.1Confident160 Ų16048 Ų4886%0.85624%0.239SC*.SBendtrans-64.1-26.6-173-63.9-41.3000114.3
88V77.3Confident88.8Confident90 Ų9048.9 Ų48.955%0.54524%0.244SC..SBendtrans-133.18.8-174.2-155.40000113Q86 E90Q86-V88 VanDerWaalsContact C-N 3.28Å; Q86-V88 PolarHBondContact O-N 3.27Å; V88-E90 VanDerWaalsContact C-N 3.33Å; V88-E90 HydrophobicContact CB-CG 4.18Å; V88-E90 PolarHBondContact O-N 2.98Å
89C85.2Confident88.4Confident18 Ų1848.9 Ų48.912%0.12225%0.246CC..  trans53.145.5179.1-52.20000113.6Y93 R110 C112C89-Y93 WeakPolarHBondContact O-CD1 3.36Å; C89-R110 HydrophobicContact CB-CG 4.23Å; C89-C112 WeakPolarHBondContact CA-SG 3.3Å; C89-C112 HydrophobicContact CB-CB 3.51Å; C89-C112 WeakPolarHBondContact CB-SG 3.03Å; C89-C112 WeakPolarHBondContact SG-CB 3.43Å; C89-C112 PolarHBondContact SG-N 2.87Å; C89-C112 CovalentContact SG-SG 2.03Å; C89-C112 PolarHBondContact SG-SG 3.47Å
90E84.5Confident87.8Confident130 Ų13045 Ų4561%0.60724%0.242SC*.  trans-77.8-27.3-178-67-170.7135.400113.9V88V88-E90 VanDerWaalsContact C-N 3.33Å; V88-E90 HydrophobicContact CB-CG 4.18Å; V88-E90 PolarHBondContact O-N 2.98Å
91F84.3Confident86.5Confident94 Ų9444.7 Ų44.741%0.41224%0.244SC..SBendtrans-92.9-87.5-178.2-56.2-57.9000110.7E84 Q86 Y93 D134E84-F91 VanDerWaalsContact OE2-CB 3.31Å; E84-F91 WeakPolarHBondContact OE2-CB 3.37Å; Q86-F91 HydrophobicContact CG-CD2 4.23Å; Q86-F91 HydrophobicContact CG-CE2 4.24Å; F91-Y93 WeakPolarHBondContact O-CD1 3.02Å; F91-D134 HydrophobicContact CB-CB 4.29Å; F91-D134 WeakPolarHBondContact CD1-OD2 3.42Å
92D92.5Very high85.2Confident3 Ų348.8 Ų48.82%0.01627%0.265CS..SBendtrans-94.1124.4-179.5-64.3-6.2000111.4Y56 L83 E84 C112 V132 A133 D134Y56-D92 WeakPolarHBondContact CE2-OD2 3.43Å; Y56-D92 PolarHBondContact OH-OD2 3.35Å; L83-D92 HydrophobicContact CB-CB 4.47Å; E84-D92 HydrophobicContact CB-CB 3.96Å; D92-C112 WeakPolarHBondContact O-CB 3.43Å; D92-V132 WeakPolarHBondContact CA-O 3.41Å; D92-A133 WeakPolarHBondContact OD1-CA 3.48Å; D92-D134 PolarHBondContact OD1-N 2.95Å
93Y94.4Very high83.4Confident39 Ų3951.1 Ų51.115%0.15329%0.292CS..EExtended strand (participates in β ladder)trans-153.3155.4-178.862.3-93.3000113.8C89 F91 E95 R110 F111 F131 V132C89-Y93 WeakPolarHBondContact O-CD1 3.36Å; F91-Y93 WeakPolarHBondContact O-CD1 3.02Å; Y93-E95 HydrophobicContact CD2-CB 4.02Å; Y93-E95 HydrophobicContact CE2-CB 4.14Å; Y93-R110 HydrophobicContact CD2-CG 4Å; Y93-R110 HydrophobicContact CG-CG 4.07Å; Y93-F111 WeakPolarHBondContact CA-O 3.24Å; Y93-F131 WeakPolarHBondContact O-CA 3.32Å; Y93-F131 WeakPolarHBondContact O-CD2 3.32Å; Y93-V132 HydrophobicContact CD1-CB 4.34Å; Y93-V132 HydrophobicContact CE1-CB 3.84Å; Y93-V132 HydrophobicContact CE1-CG1 4.15Å; Y93-V132 HydrophobicContact CE1-CG2 4.32Å; Y93-V132 HydrophobicContact CE2-CB 4.1Å; Y93-V132 HydrophobicContact CE2-CG2 3.9Å; Y93-V132 PolarHBondContact N-O 3.48Å; Y93-V132 PolarHBondContact O-N 3.48Å
94V95.4Very high81.6Confident0 Ų054.8 Ų54.80%032%0.323CS..EExtended strand (participates in β ladder)trans-108.8126.4161.7174.80000108.8F78 F81 L83 V96 R110 F111 V129 V130 F131 F142F78-V94 HydrophobicContact CE1-CG1 4.3Å; F78-V94 HydrophobicContact CZ-CG1 3.94Å; F81-V94 HydrophobicContact CE2-CB 4.32Å; F81-V94 HydrophobicContact CE2-CG2 4.21Å; L83-V94 HydrophobicContact CD1-CG2 3.93Å; V94-V96 HydrophobicContact CG1-CG2 4.26Å; V94-R110 CarbonylContact O-C 3.58Å; V94-R110 WeakPolarHBondContact O-CA 3.46Å; V94-F111 PolarHBondContact N-O 3.48Å; V94-F111 PolarHBondContact O-N 3.07Å; V94-V129 HydrophobicContact CG1-CG1 3.88Å; V94-V130 CarbonylContact C-O 3.58Å; V94-V130 VanDerWaalsContact CA-O 3.29Å; V94-V130 WeakPolarHBondContact CA-O 2.96Å; V94-F131 HydrophobicContact CG2-CB 4.16Å; V94-F131 HydrophobicContact CG2-CD2 3.7Å; V94-F131 HydrophobicContact CG2-CG 4.32Å; V94-F142 HydrophobicContact CG2-CD1 3.52Å; V94-F142 HydrophobicContact CG2-CE1 3.35Å; V94-F142 HydrophobicContact CG2-CG 4.22Å; V94-F142 HydrophobicContact CG2-CZ 3.91Å
95E92.6Very high80.3Confident26 Ų2654.6 Ų54.612%0.12133%0.33CS..EExtended strand (participates in β ladder)trans-118.4136.5176-168.3173.382.500110.2Y93 H97 V107 G109 R110 V130Y93-E95 HydrophobicContact CD2-CB 4.02Å; Y93-E95 HydrophobicContact CE2-CB 4.14Å; E95-H97 IonicContact OE1-CD2 3.77Å; E95-H97 IonicContact OE1-CE1 3.47Å; E95-H97 PolarHBondContact OE1-CE1 3.39Å; E95-H97 IonicContact OE1-NE2 2.7Å; E95-H97 PolarHBondContact OE1-NE2 3.02Å; E95-V107 HydrophobicContact CG-CG1 3.72Å; E95-G109 WeakPolarHBondContact CA-O 3.2Å; E95-R110 HydrophobicContact CG-CB 4.35Å; E95-R110 IonicContact OE2-CZ 2.72Å; E95-R110 IonicContact OE2-NE 2.72Å; E95-R110 PolarHBondContact OE2-NE 2.92Å; E95-R110 IonicContact OE2-NH2 3.19Å; E95-R110 PolarHBondContact OE2-NH2 3.19Å; E95-V130 PolarHBondContact N-O 3.49Å; E95-V130 PolarHBondContact O-N 2.93Å
96V93.4Very high80Confident0 Ų057.5 Ų57.50%033%0.33CS..EExtended strand (participates in β ladder)trans-121.1127.6-176.4-173.40000109.8L76 V94 V107 L108 G109 L120 M127 V129L76-V96 HydrophobicContact CD2-CG1 4.32Å; L76-V96 HydrophobicContact CD2-CG2 4.05Å; V94-V96 HydrophobicContact CG1-CG2 4.26Å; V96-V107 CarbonylContact O-C 3.57Å; V96-L108 HydrophobicContact CB-CB 4.34Å; V96-L108 HydrophobicContact CG1-CB 4.37Å; V96-L108 HydrophobicContact CG1-CD1 4.05Å; V96-L108 PolarHBondContact O-N 3.26Å; V96-G109 PolarHBondContact N-O 3.44Å; V96-L120 HydrophobicContact CB-CD1 3.83Å; V96-L120 HydrophobicContact CG1-CD1 4.08Å; V96-L120 HydrophobicContact CG2-CD1 3.67Å; V96-M127 HydrophobicContact CG1-CE 4.44Å; V96-M127 HydrophobicContact CG1-CG 3.89Å; V96-M127 HydrophobicContact CG1-SD 3.79Å; V96-V129 HydrophobicContact CG1-CG2 4.3Å; V96-V129 HydrophobicContact CG2-CG1 4.39Å; V96-V129 HydrophobicContact CG2-CG2 4.42Å
97H88.3Confident80.3Confident4 Ų458 Ų582%0.01934%0.337CS..EExtended strand (participates in β ladder)trans-114.9134.4-174.5-64.3-142.6000109.4E95 S99 G103 T128E95-H97 IonicContact OE1-CD2 3.77Å; E95-H97 IonicContact OE1-CE1 3.47Å; E95-H97 PolarHBondContact OE1-CE1 3.39Å; E95-H97 IonicContact OE1-NE2 2.7Å; E95-H97 PolarHBondContact OE1-NE2 3.02Å; H97-S99 PolarHBondContact O-N 3.24Å; H97-S99 VanDerWaalsContact O-N 3.09Å; H97-G103 PolarHBondContact ND1-N 3.48Å; H97-T128 PolarHBondContact N-O 3.01Å; H97-T128 PolarHBondContact O-N 3.32Å
98D87.6Confident81Confident21 Ų2151.9 Ų51.911%0.11230%0.304CS..SBendtrans-8551.6174.7-165.116.8000111.4R106 L108 S122 S123D98-R106 HydrophobicContact CB-CB 4.37Å; D98-R106 WeakPolarHBondContact CB-O 3.41Å; D98-R106 PolarHBondContact N-O 3.34Å; D98-L108 HydrophobicContact CB-CD1 4.3Å; D98-L108 HydrophobicContact CB-CD2 3.9Å; D98-L108 HydrophobicContact CB-CG 3.96Å; D98-S122 WeakPolarHBondContact OD1-CA 3.36Å; D98-S122 WeakPolarHBondContact OD1-CB 3.12Å; D98-S123 VanDerWaalsContact CG-N 3.34Å; D98-S123 PolarHBondContact OD1-N 3.35Å; D98-S123 PolarHBondContact OD1-OG 3.38Å; D98-S123 WeakPolarHBondContact OD2-CB 3.35Å; D98-S123 PolarHBondContact OD2-N 2.91Å; D98-S123 VanDerWaalsContact OD2-N 3.09Å; D98-S123 PolarHBondContact OD2-OG 3.36Å
99S84.7Confident81.3Confident15 Ų1548.4 Ų48.411%0.10529%0.286CS..SBendtrans-156.5164.7-17948.20000111.7H97 S101 G105 M127 T128H97-S99 PolarHBondContact O-N 3.24Å; H97-S99 VanDerWaalsContact O-N 3.09Å; S99-S101 VanDerWaalsContact C-N 3.28Å; S99-S101 PolarHBondContact OG-O 2.74Å; S99-G105 WeakPolarHBondContact OG-CA 3.28Å; S99-G105 PolarHBondContact OG-N 3.43Å; S99-M127 CarbonylContact O-C 3.54Å; S99-T128 PolarHBondContact O-N 3.09Å; S99-T128 PolarHBondContact O-OG1 2.71Å
100S78.4Confident81.5Confident70 Ų7052.7 Ų52.749%0.4930%0.3SS..SBendtrans-73.3-18.6174.2560000113.6H65 T128H65-S100 PolarHBondContact ND1-O 3.02Å; H65-S100 VanDerWaalsContact ND1-O 3.08Å; S100-T128 PolarHBondContact O-OG1 3.14Å
101S66.8Low81.9Confident50 Ų5048.3 Ų48.335%0.3528%0.279SS..SBendtrans-133.8156.2179.460.10000112.6S99 G103 A104S99-S101 VanDerWaalsContact C-N 3.28Å; S99-S101 PolarHBondContact OG-O 2.74Å; S101-G103 PolarHBondContact O-N 3.39Å; S101-A104 VanDerWaalsContact OG-CB 3.24Å; S101-A104 WeakPolarHBondContact OG-CB 3.22Å
102I67.8Low82.3Confident91 Ų9144.7 Ų44.747%0.46727%0.265SS..THydrogen-bonded Turntrans-67.5127.3175.7-54.3176.8000108.8V63 A104 T128 V130V63-I102 HydrophobicContact CG1-CD1 3.93Å; V63-I102 HydrophobicContact CG1-CG1 4.39Å; V63-I102 HydrophobicContact CG2-CD1 3.94Å; I102-A104 PolarHBondContact O-N 3.02Å; I102-T128 HydrophobicContact CG1-CG2 3.99Å; I102-V130 HydrophobicContact CD1-CG2 3.85Å; I102-V130 HydrophobicContact CG1-CG2 3.99Å
103G57.1Low82.3Confident70 Ų7044.8 Ų44.872%0.72227%0.266SS*.THydrogen-bonded Turntrans82.61.5172.200000116.6H97 S101H97-G103 PolarHBondContact ND1-N 3.48Å; S101-G103 PolarHBondContact O-N 3.39Å
104A56.7Low82.1Confident77 Ų7746.9 Ų46.964%0.63628%0.283SS*.SBendtrans-101.4-1.4175.100000114S101 I102S101-A104 VanDerWaalsContact OG-CB 3.24Å; S101-A104 WeakPolarHBondContact OG-CB 3.22Å; I102-A104 PolarHBondContact O-N 3.02Å
105G65.6Low81.7Confident31 Ų3152.3 Ų52.332%0.3232%0.316SS..SBendtrans-141.7177.4-176.400000113.9S99S99-G105 WeakPolarHBondContact OG-CA 3.28Å; S99-G105 PolarHBondContact OG-N 3.43Å
106R79.4Confident81.3Confident162 Ų16256.7 Ų56.761%0.61134%0.335SS*.  trans-66.1134.3178.1176.4-176.8172-154.22.3110.3D98 L108D98-R106 HydrophobicContact CB-CB 4.37Å; D98-R106 WeakPolarHBondContact CB-O 3.41Å; D98-R106 PolarHBondContact N-O 3.34Å; R106-L108 PolarHBondContact O-N 2.89Å
107V84.6Confident81.1Confident67 Ų6757.2 Ų57.241%0.40634%0.339SS..EExtended strand (participates in β ladder)trans-79.6118.6169.2179.30000108.5E95 V96 G109E95-V107 HydrophobicContact CG-CG1 3.72Å; V96-V107 CarbonylContact O-C 3.57Å; V107-G109 VanDerWaalsContact C-N 3.32Å
108L83.4Confident80.9Confident32 Ų3260.8 Ų60.817%0.16836%0.362CS..EExtended strand (participates in β ladder)trans-73.3-28.1176.2-64.4-178000111.7V96 D98 R106 L120 M127V96-L108 HydrophobicContact CB-CB 4.34Å; V96-L108 HydrophobicContact CG1-CB 4.37Å; V96-L108 HydrophobicContact CG1-CD1 4.05Å; V96-L108 PolarHBondContact O-N 3.26Å; D98-L108 HydrophobicContact CB-CD1 4.3Å; D98-L108 HydrophobicContact CB-CD2 3.9Å; D98-L108 HydrophobicContact CB-CG 3.96Å; R106-L108 PolarHBondContact O-N 2.89Å; L108-L120 HydrophobicContact CB-CD2 4.46Å; L108-L120 HydrophobicContact CD1-CB 4.25Å; L108-M127 HydrophobicContact CD1-CE 3.79Å
109G85.1Confident80.8Confident16 Ų1664.5 Ų64.517%0.16538%0.382CS..EExtended strand (participates in β ladder)trans167.4163.717100000113.1E95 V96 V107E95-G109 WeakPolarHBondContact CA-O 3.2Å; V96-G109 PolarHBondContact N-O 3.44Å; V107-G109 VanDerWaalsContact C-N 3.32Å
110R88.8Confident80.9Confident109 Ų10964.5 Ų64.541%0.41138%0.381SS..EExtended strand (participates in β ladder)trans-122.2132.2170.9-178.3-176.8-70.2-160.6-4.1108.5C89 Y93 V94 E95C89-R110 HydrophobicContact CB-CG 4.23Å; Y93-R110 HydrophobicContact CD2-CG 4Å; Y93-R110 HydrophobicContact CG-CG 4.07Å; V94-R110 CarbonylContact O-C 3.58Å; V94-R110 WeakPolarHBondContact O-CA 3.46Å; E95-R110 HydrophobicContact CG-CB 4.35Å; E95-R110 IonicContact OE2-CZ 2.72Å; E95-R110 IonicContact OE2-NE 2.72Å; E95-R110 PolarHBondContact OE2-NE 2.92Å; E95-R110 IonicContact OE2-NH2 3.19Å; E95-R110 PolarHBondContact OE2-NH2 3.19Å
111F92.8Very high81.3Confident38 Ų3863 Ų6317%0.16737%0.369CS..EExtended strand (participates in β ladder)trans-135.7141.4-170.5-50.9-81.1000111.5F81 Y93 V94 P117 L120F81-F111 HydrophobicContact CE1-CB 4.28Å; F81-F111 HydrophobicContact CE2-CB 4.28Å; F81-F111 HydrophobicContact CZ-CB 3.63Å; Y93-F111 WeakPolarHBondContact CA-O 3.24Å; V94-F111 PolarHBondContact N-O 3.48Å; V94-F111 PolarHBondContact O-N 3.07Å; F111-P117 HydrophobicContact CB-CG 3.9Å; F111-P117 HydrophobicContact CD1-CB 3.79Å; F111-P117 HydrophobicContact CD1-CG 4.05Å; F111-P117 HydrophobicContact CD2-CB 4.17Å; F111-P117 HydrophobicContact CD2-CG 4.31Å; F111-P117 HydrophobicContact CE1-CB 4Å; F111-P117 HydrophobicContact CE2-CB 4.37Å; F111-P117 HydrophobicContact CG-CB 3.88Å; F111-P117 HydrophobicContact CG-CG 3.81Å; F111-P117 HydrophobicContact CZ-CB 4.28Å; F111-L120 HydrophobicContact CE2-CD1 3.68Å; F111-L120 HydrophobicContact CZ-CD1 4.09Å; F111-L120 HydrophobicContact CZ-CD2 4.1Å
112C93.3Very high82.4Confident18 Ų1860.7 Ų60.712%0.12235%0.353CS..  trans-150.8-180173.167.90000110.3C89 D92C89-C112 WeakPolarHBondContact CA-SG 3.3Å; C89-C112 HydrophobicContact CB-CB 3.51Å; C89-C112 WeakPolarHBondContact CB-SG 3.03Å; C89-C112 WeakPolarHBondContact SG-CB 3.43Å; C89-C112 PolarHBondContact SG-N 2.87Å; C89-C112 CovalentContact SG-SG 2.03Å; C89-C112 PolarHBondContact SG-SG 3.47Å; D92-C112 WeakPolarHBondContact O-CB 3.43Å
113G93Very high83.1Confident4 Ų458.1 Ų58.14%0.04134%0.343CS..SBendtrans73.9-152.8-176.300000114.3F81 S82 L83 E84 T85F81-G113 WeakPolarHBondContact CD1-O 3.44Å; F81-G113 WeakPolarHBondContact CE1-O 3.02Å; S82-G113 WeakPolarHBondContact CA-O 3.44Å; L83-G113 PolarHBondContact N-O 2.72Å; L83-G113 CarbonylContact O-C 3.55Å; L83-G113 WeakPolarHBondContact O-CA 3.45Å; L83-G113 PolarHBondContact O-N 3.4Å; E84-G113 PolarHBondContact O-N 2.88Å; T85-G113 VanDerWaalsContact OG1-CA 3.29Å; T85-G113 WeakPolarHBondContact OG1-CA 3.32Å
114T89.3Confident84.5Confident83 Ų8355.8 Ų55.851%0.50932%0.318SS..SBendtrans-111.3-2.7-172.756.40000114
115T86.8Confident86.1Confident115 Ų11553.5 Ų53.571%0.70630%0.297SS*.SBendtrans-75.6131176.7-53.60000109.5F81 P117F81-T115 WeakPolarHBondContact CD1-O 3.47Å; T115-P117 WeakPolarHBondContact O-CD 3.21Å
116F84.3Confident87.4Confident117 Ų11757.3 Ų57.351%0.51330%0.303SS..PPolyproline II helixtrans-65.5127178-87.6-86.8000111.6F78 R79 F81F78-F116 HydrophobicContact CB-CD1 4.47Å; R79-F116 WeakPolarHBondContact O-CE1 2.78Å; F81-F116 HydrophobicContact CB-CD1 4.38Å; F81-F116 HydrophobicContact CB-CE1 4.46Å
117P88.9Confident88.1Confident11 Ų1149.6 Ų49.67%0.07127%0.274CS..PPolyproline II helixtrans-63147.9169.2-21.333.2000111.2F78 F81 F111 T115F78-P117 HydrophobicContact CD1-CG 4.47Å; F78-P117 HydrophobicContact CD2-CB 3.66Å; F78-P117 HydrophobicContact CD2-CG 3.78Å; F78-P117 HydrophobicContact CE2-CB 3.87Å; F78-P117 HydrophobicContact CE2-CG 3.99Å; F78-P117 HydrophobicContact CG-CB 4.36Å; F78-P117 HydrophobicContact CG-CG 4.04Å; F78-P117 HydrophobicContact CZ-CG 4.42Å; F81-P117 HydrophobicContact CD1-CG 4.28Å; F81-P117 HydrophobicContact CD2-CG 3.82Å; F81-P117 HydrophobicContact CE1-CG 4.28Å; F81-P117 HydrophobicContact CE2-CG 3.83Å; F81-P117 HydrophobicContact CG-CG 4.06Å; F81-P117 HydrophobicContact CZ-CG 4.08Å; F111-P117 HydrophobicContact CB-CG 3.9Å; F111-P117 HydrophobicContact CD1-CB 3.79Å; F111-P117 HydrophobicContact CD1-CG 4.05Å; F111-P117 HydrophobicContact CD2-CB 4.17Å; F111-P117 HydrophobicContact CD2-CG 4.31Å; F111-P117 HydrophobicContact CE1-CB 4Å; F111-P117 HydrophobicContact CE2-CB 4.37Å; F111-P117 HydrophobicContact CG-CB 3.88Å; F111-P117 HydrophobicContact CG-CG 3.81Å; F111-P117 HydrophobicContact CZ-CB 4.28Å; T115-P117 WeakPolarHBondContact O-CD 3.21Å
118P84.3Confident88.5Confident80 Ų8046.4 Ų46.452%0.51925%0.254SS..PPolyproline II helixtrans-65.5164.8171.129.9-34.7000111.2L120P118-L120 HydrophobicContact CG-CD2 4.27Å; P118-L120 PolarHBondContact O-N 3.44Å
119D86Confident89.1Confident99 Ų9944.9 Ų44.953%0.52925%0.246SC..PPolyproline II helixtrans-64.6127.2170.2-79.1-16.2000109.7T75 L76 S77T75-D119 HydrophobicContact CG2-CB 4.45Å; L76-D119 WeakPolarHBondContact O-CA 3.45Å; S77-D119 WeakPolarHBondContact CA-OD1 3.46Å; S77-D119 WeakPolarHBondContact CB-OD1 3.3Å; S77-D119 PolarHBondContact OG-OD1 2.73Å; S77-D119 PolarHBondContact OG-OD2 3.47Å
120L85.8Confident89.4Confident15 Ų1544.6 Ų44.68%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-106.9137.3-177.6-56.6172.8000109.5T75 L76 F78 V96 L108 F111 P118T75-L120 CarbonylContact C-O 3.54Å; T75-L120 VanDerWaalsContact CA-O 3.29Å; T75-L120 WeakPolarHBondContact CA-O 3.42Å; L76-L120 PolarHBondContact N-O 3.41Å; L76-L120 PolarHBondContact O-N 2.8Å; F78-L120 HydrophobicContact CE2-CD1 4.5Å; V96-L120 HydrophobicContact CB-CD1 3.83Å; V96-L120 HydrophobicContact CG1-CD1 4.08Å; V96-L120 HydrophobicContact CG2-CD1 3.67Å; L108-L120 HydrophobicContact CB-CD2 4.46Å; L108-L120 HydrophobicContact CD1-CB 4.25Å; F111-L120 HydrophobicContact CE2-CD1 3.68Å; F111-L120 HydrophobicContact CZ-CD1 4.09Å; F111-L120 HydrophobicContact CZ-CD2 4.1Å; P118-L120 HydrophobicContact CG-CD2 4.27Å; P118-L120 PolarHBondContact O-N 3.44Å
121T87.3Confident89.7Confident39 Ų3939.4 Ų39.424%0.23922%0.222CC..EExtended strand (participates in β ladder)trans-125.2132.3179.5-62.50000109.7V73 I74 T75V73-T121 HydrophobicContact CB-CG2 4.45Å; V73-T121 HydrophobicContact CG2-CG2 3.98Å; I74-T121 CarbonylContact O-C 3.24Å; I74-T121 VanDerWaalsContact O-CA 3.29Å; I74-T121 WeakPolarHBondContact O-CA 3.4Å; T75-T121 PolarHBondContact OG1-OG1 2.02Å
122S89.8Confident89.6Confident1 Ų139.2 Ų39.21%0.00722%0.224CC..  trans-75.3155.6173.458.80000111.8V73 I74 D98 G124V73-S122 WeakPolarHBondContact CB-O 3.37Å; V73-S122 WeakPolarHBondContact CG1-O 3.43Å; I74-S122 WeakPolarHBondContact CB-OG 3.25Å; I74-S122 PolarHBondContact N-OG 3.49Å; I74-S122 PolarHBondContact O-N 2.94Å; I74-S122 PolarHBondContact O-OG 2.03Å; D98-S122 WeakPolarHBondContact OD1-CA 3.36Å; D98-S122 WeakPolarHBondContact OD1-CB 3.12Å; S122-G124 WeakPolarHBondContact CB-O 3.2Å; S122-G124 PolarHBondContact OG-O 3.43Å
123S82.9Confident89.4Confident37 Ų3738.6 Ų38.626%0.25922%0.22SC..SBendtrans-77.4-25.1169.857.50000112.5D98D98-S123 VanDerWaalsContact CG-N 3.34Å; D98-S123 PolarHBondContact OD1-N 3.35Å; D98-S123 PolarHBondContact OD1-OG 3.38Å; D98-S123 WeakPolarHBondContact OD2-CB 3.35Å; D98-S123 PolarHBondContact OD2-N 2.91Å; D98-S123 VanDerWaalsContact OD2-N 3.09Å; D98-S123 PolarHBondContact OD2-OG 3.36Å
124G86.6Confident89Confident20 Ų2040.7 Ų40.721%0.20623%0.23CC..SBendtrans-129.8-169.9-176.900000114.4S122 Y126S122-G124 WeakPolarHBondContact CB-O 3.2Å; S122-G124 PolarHBondContact OG-O 3.43Å; G124-Y126 PolarHBondContact O-N 2.85Å
125P89.9Confident88.7Confident30 Ų3043.5 Ų43.520%0.19524%0.237CC..SBendtrans-79.49-178.933-35.1000113.5S67 V68 H72 I74S67-P125 WeakPolarHBondContact CA-O 3.34Å; V68-P125 HydrophobicContact CG2-CB 3.84Å; V68-P125 PolarHBondContact N-O 2.98Å; H72-P125 WeakPolarHBondContact O-CA 3.25Å; I74-P125 WeakPolarHBondContact CD1-O 3.45Å
126Y92.7Very high88.4Confident110 Ų11039.5 Ų39.543%0.43122%0.219SC..EExtended strand (participates in β ladder)trans-128139.7-176.3-56.5-68.4000111.3I66 G124I66-Y126 WeakPolarHBondContact O-CA 3.49Å; G124-Y126 PolarHBondContact O-N 2.85Å
127M94.3Very high88.5Confident0 Ų037.9 Ų37.90%022%0.219CC..EExtended strand (participates in β ladder)trans-147.4136.6174.1179.8179.4-74.400109.1I66 I74 L76 V96 S99 L108I66-M127 WeakPolarHBondContact CA-O 3.36Å; I66-M127 HydrophobicContact CB-CB 4.43Å; I66-M127 WeakPolarHBondContact CB-O 3.32Å; I66-M127 PolarHBondContact N-O 2.03Å; I66-M127 PolarHBondContact O-N 3.24Å; I74-M127 HydrophobicContact CB-CB 4.28Å; I74-M127 HydrophobicContact CB-CE 4.21Å; I74-M127 HydrophobicContact CD1-CB 3.71Å; I74-M127 HydrophobicContact CG2-CB 4.27Å; I74-M127 HydrophobicContact CG2-CE 4.15Å; I74-M127 HydrophobicContact CG2-SD 3.95Å; I74-M127 WeakPolarHBondContact O-CE 3.17Å; L76-M127 HydrophobicContact CB-SD 3.87Å; L76-M127 HydrophobicContact CD2-SD 4.28Å; V96-M127 HydrophobicContact CG1-CE 4.44Å; V96-M127 HydrophobicContact CG1-CG 3.89Å; V96-M127 HydrophobicContact CG1-SD 3.79Å; S99-M127 CarbonylContact O-C 3.54Å; L108-M127 HydrophobicContact CD1-CE 3.79Å
128T93.6Very high88.4Confident0 Ų038.4 Ų38.40%022%0.224CC..EExtended strand (participates in β ladder)trans-114.9129.5175.6-58.40000110V63 W64 H97 S99 S100 I102 V130V63-T128 HydrophobicContact CG1-CG2 3.81Å; W64-T128 CarbonylContact O-C 3.5Å; W64-T128 WeakPolarHBondContact O-CA 3.2Å; H97-T128 PolarHBondContact N-O 3.01Å; H97-T128 PolarHBondContact O-N 3.32Å; S99-T128 PolarHBondContact O-N 3.09Å; S99-T128 PolarHBondContact O-OG1 2.71Å; S100-T128 PolarHBondContact O-OG1 3.14Å; I102-T128 HydrophobicContact CG1-CG2 3.99Å; T128-V130 HydrophobicContact CG2-CG2 4.25Å
129V95.5Very high88.9Confident0 Ų037.1 Ų37.10%021%0.213CC..EExtended strand (participates in β ladder)trans-114.3128.3177.2-177.70000108.4L47 V63 W64 I66 L76 V94 V96L47-V129 HydrophobicContact CD1-CG1 4.48Å; L47-V129 HydrophobicContact CD2-CG2 4.26Å; V63-V129 WeakPolarHBondContact CA-O 3.23Å; W64-V129 HydrophobicContact CB-CB 4.37Å; W64-V129 HydrophobicContact CE3-CB 4.18Å; W64-V129 HydrophobicContact CE3-CG1 4.07Å; W64-V129 HydrophobicContact CZ3-CG1 4.49Å; W64-V129 PolarHBondContact N-O 2.77Å; W64-V129 PolarHBondContact O-N 3.09Å; I66-V129 HydrophobicContact CD1-CG2 4.11Å; L76-V129 HydrophobicContact CD2-CG2 3.85Å; V94-V129 HydrophobicContact CG1-CG1 3.88Å; V96-V129 HydrophobicContact CG1-CG2 4.3Å; V96-V129 HydrophobicContact CG2-CG1 4.39Å; V96-V129 HydrophobicContact CG2-CG2 4.42Å
130V92.8Very high89.2Confident11 Ų1134 Ų347%0.06720%0.199CC..EExtended strand (participates in β ladder)trans-119.5127.4-179.3-175.40000108.5C62 V63 V94 E95 I102 T128 V132C62-V130 CarbonylContact O-C 3.58Å; C62-V130 WeakPolarHBondContact O-CA 3.39Å; V63-V130 HydrophobicContact CG1-CG2 4.42Å; V63-V130 HydrophobicContact CG2-CG1 4.43Å; V94-V130 CarbonylContact C-O 3.58Å; V94-V130 VanDerWaalsContact CA-O 3.29Å; V94-V130 WeakPolarHBondContact CA-O 2.96Å; E95-V130 PolarHBondContact N-O 3.49Å; E95-V130 PolarHBondContact O-N 2.93Å; I102-V130 HydrophobicContact CD1-CG2 3.85Å; I102-V130 HydrophobicContact CG1-CG2 3.99Å; T128-V130 HydrophobicContact CG2-CG2 4.25Å; V130-V132 HydrophobicContact CG1-CG2 4.03Å
131F94.7Very high89.6Confident0 Ų033.3 Ų33.30%020%0.195CC..EExtended strand (participates in β ladder)trans-116.7128.5170.1169.8-121000109.2Y56 Q60 S61 C62 W64 L83 Y93 V94 A133 F142Y56-F131 HydrophobicContact CD1-CZ 4.03Å; Y56-F131 HydrophobicContact CD2-CE1 4.34Å; Y56-F131 AromaticContact CD2-CZ 3.73Å; Y56-F131 HydrophobicContact CD2-CZ 3.73Å; Y56-F131 HydrophobicContact CE1-CZ 4.33Å; Y56-F131 HydrophobicContact CE2-CZ 4.04Å; Y56-F131 HydrophobicContact CG-CE1 4.22Å; Y56-F131 AromaticContact CG-CZ 3.73Å; Y56-F131 HydrophobicContact CG-CZ 3.73Å; Q60-F131 HydrophobicContact CB-CE1 4.4Å; S61-F131 CarbonylContact C-O 3.4Å; S61-F131 WeakPolarHBondContact CA-O 3.34Å; C62-F131 HydrophobicContact CB-CB 4.16Å; C62-F131 HydrophobicContact CB-CD1 4.37Å; C62-F131 PolarHBondContact N-O 3.17Å; C62-F131 PolarHBondContact O-N 3.33Å; W64-F131 HydrophobicContact CH2-CB 4.23Å; W64-F131 HydrophobicContact CZ3-CB 3.81Å; L83-F131 HydrophobicContact CD1-CD2 4.42Å; L83-F131 HydrophobicContact CD1-CE2 4.1Å; L83-F131 HydrophobicContact CD2-CE2 3.61Å; L83-F131 HydrophobicContact CD2-CZ 4.15Å; Y93-F131 WeakPolarHBondContact O-CA 3.32Å; Y93-F131 WeakPolarHBondContact O-CD2 3.32Å; V94-F131 HydrophobicContact CG2-CB 4.16Å; V94-F131 HydrophobicContact CG2-CD2 3.7Å; V94-F131 HydrophobicContact CG2-CG 4.32Å; F131-A133 HydrophobicContact CE1-CB 4.32Å; F131-A133 HydrophobicContact CZ-CB 3.91Å; F131-F142 HydrophobicContact CB-CE1 3.78Å; F131-F142 HydrophobicContact CB-CZ 4.03Å; F131-F142 HydrophobicContact CD1-CE1 4.1Å; F131-F142 HydrophobicContact CD2-CD1 4.33Å; F131-F142 AromaticContact CD2-CE1 3.7Å; F131-F142 HydrophobicContact CD2-CE1 3.7Å; F131-F142 HydrophobicContact CE2-CE1 4.32Å; F131-F142 AromaticContact CG-CE1 3.58Å; F131-F142 HydrophobicContact CG-CE1 3.58Å; F131-F142 HydrophobicContact CG-CZ 4.3Å
132V91.1Very high90Very high34 Ų3431.5 Ų31.521%0.20618%0.184CC..EExtended strand (participates in β ladder)trans-123.7135.9176.4-179.80000108.7Q60 D92 Y93 V130Q60-V132 CarbonylContact O-C 3.54Å; Q60-V132 WeakPolarHBondContact O-CA 3.4Å; D92-V132 WeakPolarHBondContact CA-O 3.41Å; Y93-V132 HydrophobicContact CD1-CB 4.34Å; Y93-V132 HydrophobicContact CE1-CB 3.84Å; Y93-V132 HydrophobicContact CE1-CG1 4.15Å; Y93-V132 HydrophobicContact CE1-CG2 4.32Å; Y93-V132 HydrophobicContact CE2-CB 4.1Å; Y93-V132 HydrophobicContact CE2-CG2 3.9Å; Y93-V132 PolarHBondContact N-O 3.48Å; Y93-V132 PolarHBondContact O-N 3.48Å; V130-V132 HydrophobicContact CG1-CG2 4.03Å
133A88.2Confident90.3Very high5 Ų532.8 Ų32.84%0.04119%0.191CC..  trans-127.6139.9170.100000110.7Y56 Q59 Q60 D92 F131Y56-A133 HydrophobicContact CD2-CB 3.73Å; Y56-A133 HydrophobicContact CE2-CB 3.68Å; Q59-A133 CarbonylContact C-O 3.54Å; Q59-A133 WeakPolarHBondContact CA-O 3.48Å; Q59-A133 PolarHBondContact N-O 3.46Å; Q60-A133 HydrophobicContact CB-CB 4.2Å; Q60-A133 PolarHBondContact N-O 3.23Å; Q60-A133 PolarHBondContact O-N 3.31Å; D92-A133 WeakPolarHBondContact OD1-CA 3.48Å; F131-A133 HydrophobicContact CE1-CB 4.32Å; F131-A133 HydrophobicContact CZ-CB 3.91Å
134D85.1Confident91Very high47 Ų4731 Ų3125%0.25118%0.179SC..  trans-90.1-164.5-179.187.5-22.7000112.3H58 Q59 F91 D92 G136H58-D134 CarbonylContact C-O 3.56Å; H58-D134 WeakPolarHBondContact CA-O 3.04Å; H58-D134 VanDerWaalsContact CB-O 3.3Å; H58-D134 WeakPolarHBondContact CB-O 3.45Å; Q59-D134 PolarHBondContact N-O 3.28Å; F91-D134 HydrophobicContact CB-CB 4.29Å; F91-D134 WeakPolarHBondContact CD1-OD2 3.42Å; D92-D134 PolarHBondContact OD1-N 2.95Å; D134-G136 VanDerWaalsContact OD1-CA 3.26Å; D134-G136 WeakPolarHBondContact OD1-CA 3.39Å; D134-G136 PolarHBondContact OD1-N 3.25Å
135E81.4Confident91.5Very high142 Ų14232 Ų3266%0.66418%0.181SC*.SBendtrans-81.7-0.7177.4-50-154.6131.400113.9Q59Q59-E135 HydrophobicContact CG-CB 4.44Å; Q59-E135 HydrophobicContact CG-CG 3.64Å; Q59-E135 VanDerWaalsContact NE2-CD 3.3Å; Q59-E135 VanDerWaalsContact NE2-CG 3.34Å; Q59-E135 PolarHBondContact NE2-OE1 3.22Å; Q59-E135 PolarHBondContact OE1-OE1 2.72Å
136G80.9Confident91.8Very high32 Ų3231 Ų3133%0.3317%0.173SC..SBendtrans-93.6-132-163.300000114.7H58 D134H58-G136 PolarHBondContact CE1-O 2.8Å; H58-G136 PolarHBondContact ND1-O 2.78Å; D134-G136 VanDerWaalsContact OD1-CA 3.26Å; D134-G136 WeakPolarHBondContact OD1-CA 3.39Å; D134-G136 PolarHBondContact OD1-N 3.25Å
137V86.5Confident92Very high83 Ų8331.5 Ų31.550%0.50317%0.174SC..  trans-79.8136.4-173.6179.90000109.9E84E84-V137 HydrophobicContact CG-CB 4.09Å; E84-V137 WeakPolarHBondContact OE1-CB 3.13Å
138A88.2Confident91.9Very high21 Ų2132.6 Ų32.617%0.17418%0.183CC..  trans-120.7135.3174.300000112.2P55 Y56 H58P55-A138 HydrophobicContact CB-CB 4.34Å; Y56-A138 HydrophobicContact CD2-CB 3.8Å; Y56-A138 HydrophobicContact CE2-CB 3.6Å; Y56-A138 HydrophobicContact CG-CB 4.36Å; Y56-A138 WeakPolarHBondContact O-CB 3.36Å; H58-A138 VanDerWaalsContact CE1-CB 3.46Å; H58-A138 WeakPolarHBondContact CE1-CB 3.47Å
139D92.9Very high91.7Very high54 Ų5434.2 Ų34.229%0.28919%0.193SC..  trans-111.5-177.1176.5-86.5-27.7000112P55 Y56 S82 G141P55-D139 WeakPolarHBondContact CA-O 3.03Å; Y56-D139 WeakPolarHBondContact CD1-O 3.06Å; Y56-D139 HydrophobicContact CE1-CB 4.27Å; Y56-D139 WeakPolarHBondContact CE1-O 3.37Å; Y56-D139 PolarHBondContact N-O 3.33Å; Y56-D139 PolarHBondContact OH-N 3.17Å; S82-D139 VanDerWaalsContact O-CB 3.24Å; S82-D139 WeakPolarHBondContact O-CB 3.37Å; D139-G141 PolarHBondContact O-N 2.97Å
140S93.2Very high91.1Very high34 Ų3435.4 Ų35.424%0.23820%0.201CC..  trans-60.4-9.3-176.759.40000115.3H52 P53 S82H52-S140 PolarHBondContact ND1-O 3.03Å; P53-S140 VanDerWaalsContact O-CB 3.22Å; P53-S140 WeakPolarHBondContact O-CB 3.43Å; S82-S140 WeakPolarHBondContact CB-OG 3.48Å
141G94.9Very high90.1Very high0 Ų036.3 Ų36.30%021%0.207CC..EExtended strand (participates in β ladder)trans78.6-147.1175.600000112.7S49 Y56 S82 D139S49-G141 VanDerWaalsContact OG-CA 3.29Å; S49-G141 WeakPolarHBondContact OG-CA 3.48Å; Y56-G141 VanDerWaalsContact CD1-CA 3.48Å; S82-G141 PolarHBondContact N-O 3.16Å; S82-G141 VanDerWaalsContact O-CA 3.24Å; S82-G141 WeakPolarHBondContact O-CA 3.3Å; S82-G141 PolarHBondContact O-N 3.1Å; D139-G141 PolarHBondContact O-N 2.97Å
142F95.9Very high88.7Confident0 Ų043.8 Ų43.80%025%0.246CC..EExtended strand (participates in β ladder)trans-139.1161.8-176.871.2-87.9000112.8L47 A48 S49 W64 F78 N80 F81 L83 V94 F131L47-F142 HydrophobicContact CD1-CD2 4.29Å; L47-F142 HydrophobicContact CD1-CE2 3.54Å; A48-F142 CarbonylContact C-O 3.56Å; A48-F142 WeakPolarHBondContact CA-O 3.37Å; A48-F142 VanDerWaalsContact CB-O 3.32Å; A48-F142 WeakPolarHBondContact CB-O 3.31Å; S49-F142 PolarHBondContact N-O 2.96Å; S49-F142 PolarHBondContact OG-N 2.97Å; S49-F142 PolarHBondContact OG-O 3.21Å; W64-F142 AromaticContact CH2-CZ 3.75Å; W64-F142 HydrophobicContact CH2-CZ 3.75Å; W64-F142 AromaticContact CZ3-CZ 3.81Å; W64-F142 HydrophobicContact CZ3-CZ 3.81Å; F78-F142 HydrophobicContact CD1-CB 4.25Å; F78-F142 HydrophobicContact CD1-CD2 4.19Å; F78-F142 HydrophobicContact CD1-CG 4.49Å; F78-F142 HydrophobicContact CE1-CB 4.39Å; F78-F142 AromaticContact CE1-CD2 3.82Å; F78-F142 HydrophobicContact CE1-CD2 3.82Å; F78-F142 HydrophobicContact CE1-CE2 4.45Å; F78-F142 HydrophobicContact CE1-CG 4.2Å; N80-F142 CarbonylContact O-C 3.56Å; N80-F142 WeakPolarHBondContact O-CA 3.49Å; N80-F142 WeakPolarHBondContact O-CB 3.4Å; F81-F142 HydrophobicContact CD2-CB 3.74Å; F81-F142 HydrophobicContact CE2-CB 4.32Å; L83-F142 HydrophobicContact CD2-CD1 4.5Å; V94-F142 HydrophobicContact CG2-CD1 3.52Å; V94-F142 HydrophobicContact CG2-CE1 3.35Å; V94-F142 HydrophobicContact CG2-CG 4.22Å; V94-F142 HydrophobicContact CG2-CZ 3.91Å; F131-F142 HydrophobicContact CB-CE1 3.78Å; F131-F142 HydrophobicContact CB-CZ 4.03Å; F131-F142 HydrophobicContact CD1-CE1 4.1Å; F131-F142 HydrophobicContact CD2-CD1 4.33Å; F131-F142 AromaticContact CD2-CE1 3.7Å; F131-F142 HydrophobicContact CD2-CE1 3.7Å; F131-F142 HydrophobicContact CE2-CE1 4.32Å; F131-F142 AromaticContact CG-CE1 3.58Å; F131-F142 HydrophobicContact CG-CE1 3.58Å; F131-F142 HydrophobicContact CG-CZ 4.3Å
143N95.6Very high87.1Confident29 Ų2948.5 Ų48.516%0.15527%0.27CS..EExtended strand (participates in β ladder)trans-140.1129.2170.6162.7-5.4000107.5Y46 A48 R79 N80Y46-N143 WeakPolarHBondContact CD2-OD1 3.25Å; Y46-N143 HydrophobicContact CE2-CB 4.38Å; Y46-N143 VanDerWaalsContact CE2-ND2 3.29Å; Y46-N143 WeakPolarHBondContact CE2-ND2 3.38Å; Y46-N143 WeakPolarHBondContact CE2-OD1 3.07Å; Y46-N143 VanDerWaalsContact CZ-CG 3.49Å; Y46-N143 PolarHBondContact OH-ND2 3.12Å; Y46-N143 VanDerWaalsContact OH-ND2 3.11Å; A48-N143 HydrophobicContact CB-CB 4.32Å; R79-N143 PolarHBondContact N-O 2.94Å; N80-N143 HydrophobicContact CB-CB 4.4Å; N80-N143 PolarHBondContact N-O 3.42Å; N80-N143 PolarHBondContact O-N 3.32Å
144A96.6Very high85.9Confident0 Ų051 Ų510%028%0.278CS..EExtended strand (participates in β ladder)trans-135.3154.4175.300000112.1L47 L76 S77 F78L47-A144 HydrophobicContact CD1-CB 3.69Å; L47-A144 HydrophobicContact CG-CB 4.29Å; L47-A144 PolarHBondContact N-O 3.06Å; L47-A144 PolarHBondContact O-N 2.91Å; L47-A144 VanDerWaalsContact O-O 3.07Å; L76-A144 HydrophobicContact CD1-CB 3.85Å; L76-A144 HydrophobicContact CG-CB 4.37Å; S77-A144 CarbonylContact O-C 3.54Å; S77-A144 VanDerWaalsContact O-CA 3.25Å; S77-A144 WeakPolarHBondContact O-CA 3.41Å; S77-A144 WeakPolarHBondContact O-CB 3.15Å; F78-A144 HydrophobicContact CD1-CB 3.8Å; F78-A144 HydrophobicContact CE1-CB 4.07Å; F78-A144 HydrophobicContact CG-CB 4.1Å
145T97.4Very high84.7Confident41 Ų4155.2 Ų55.225%0.25231%0.306SS..EExtended strand (participates in β ladder)trans-118.7137.7174.7530000109.1G45 Y46 S77 R79G45-T145 CarbonylContact O-C 3.56Å; G45-T145 VanDerWaalsContact O-CA 3.31Å; G45-T145 WeakPolarHBondContact O-CA 3.25Å; Y46-T145 HydrophobicContact CD2-CG2 4.14Å; S77-T145 PolarHBondContact N-O 3.37Å; S77-T145 PolarHBondContact O-N 2.63Å; R79-T145 HydrophobicContact CG-CG2 4.41Å; R79-T145 PolarHBondContact NE-OG1 3.46Å
146Y97.2Very high84.1Confident9 Ų949.9 Ų49.94%0.03528%0.284CS..EExtended strand (participates in β ladder)trans-110.8152.2171.174.1-95.2000110.9K40 G42 H44 G45 L47 I66 I74 T75K40-Y146 HydrophobicContact CB-CE1 3.96Å; K40-Y146 HydrophobicContact CG-CE1 4.36Å; G42-Y146 WeakPolarHBondContact O-CE2 3.29Å; H44-Y146 CarbonylContact C-O 3.55Å; H44-Y146 VanDerWaalsContact CA-O 3.25Å; H44-Y146 WeakPolarHBondContact CA-O 3.21Å; G45-Y146 VanDerWaalsContact CA-CZ 3.48Å; G45-Y146 PolarHBondContact N-O 3.1Å; G45-Y146 PolarHBondContact O-N 3Å; L47-Y146 HydrophobicContact CD2-CD1 4.45Å; I66-Y146 HydrophobicContact CD1-CD1 3.94Å; I66-Y146 HydrophobicContact CD1-CE1 4.47Å; I66-Y146 HydrophobicContact CD1-CG 4.17Å; I66-Y146 HydrophobicContact CG2-CD1 4.18Å; I66-Y146 HydrophobicContact CG2-CD2 3.69Å; I66-Y146 HydrophobicContact CG2-CE1 4.08Å; I66-Y146 HydrophobicContact CG2-CE2 3.61Å; I66-Y146 HydrophobicContact CG2-CG 4Å; I74-Y146 HydrophobicContact CG2-CD2 4.31Å; I74-Y146 HydrophobicContact CG2-CG 4.46Å; T75-Y146 CarbonylContact O-C 3.51Å; T75-Y146 VanDerWaalsContact O-CA 3.26Å; T75-Y146 WeakPolarHBondContact O-CA 3.26Å
147R95.9Very high83.7Confident120 Ų12049.8 Ų49.845%0.45328%0.283SS..EExtended strand (participates in β ladder)trans-138.6145.3172.165.1176.8-176.2-105.9-2111.3P43 T75 V149P43-R147 CarbonylContact O-C 3.4Å; P43-R147 WeakPolarHBondContact O-CA 3.47Å; T75-R147 PolarHBondContact N-O 2.81Å; T75-R147 PolarHBondContact O-N 3.38Å; R147-V149 HydrophobicContact CG-CG2 4.16Å
148A93.3Very high82.7Confident23 Ų2351.9 Ų51.919%0.1930%0.298CS..EExtended strand (participates in β ladder)trans-77.4129.6167.700000109.3P43 V68 H72 V73P43-A148 HydrophobicContact CB-CB 4.15Å; P43-A148 PolarHBondContact O-N 2.84Å; V68-A148 HydrophobicContact CB-CB 4.06Å; V68-A148 HydrophobicContact CG1-CB 3.77Å; H72-A148 HydrophobicContact CB-CB 4.09Å; V73-A148 CarbonylContact O-C 3.56Å; V73-A148 WeakPolarHBondContact O-CA 3.35Å
149V88.6Confident81.7Confident33 Ų3355.8 Ų55.820%0.232%0.316CS..EExtended strand (participates in β ladder)trans-116.4118.7175.2-178.40000107.5H72 V73 R147 V151 R154H72-V149 VanDerWaalsContact CA-O 3.32Å; H72-V149 WeakPolarHBondContact CA-O 3.05Å; V73-V149 HydrophobicContact CG2-CB 4.19Å; V73-V149 PolarHBondContact N-O 3.36Å; V73-V149 PolarHBondContact O-N 3.21Å; R147-V149 HydrophobicContact CG-CG2 4.16Å; V149-V151 PolarHBondContact O-N 2.96Å; V149-R154 HydrophobicContact CG1-CG 4.28Å
150S83.1Confident80.7Confident25 Ų2556.6 Ų56.618%0.17532%0.318CS..EExtended strand (participates in β ladder)trans-65.6127.2177-179.80000109.7H72 L152 N153H72-S150 WeakPolarHBondContact CD2-CA 3.44Å; H72-S150 PolarHBondContact CD2-N 2.98Å; H72-S150 VanDerWaalsContact CD2-N 3.34Å; S150-L152 PolarHBondContact O-N 3.42Å; S150-L152 PolarHBondContact OG-N 2.74Å; S150-N153 PolarHBondContact O-N 3.42Å
151V70.9Confident79.8Confident30 Ų3057 Ų5718%0.18232%0.319CS..G310 helixtrans-64.1-33.7176.2176.60000110.7G71 V73 V149 N153 R154 S164G71-V151 WeakPolarHBondContact O-CB 3.06Å; G71-V151 WeakPolarHBondContact O-CG2 3.37Å; G71-V151 PolarHBondContact O-N 3.34Å; V73-V151 HydrophobicContact CG1-CG2 3.96Å; V149-V151 PolarHBondContact O-N 2.96Å; V151-N153 VanDerWaalsContact C-N 3.32Å; V151-N153 PolarHBondContact O-N 2.84Å; V151-R154 PolarHBondContact O-N 3.3Å; V151-S164 WeakPolarHBondContact CG1-O 3.45Å
152L65.7Low78.7Confident157 Ų15759.4 Ų59.482%0.82234%0.339SS*.G310 helixtrans-71.1-21.2-177.7-65170.6000114.4S150S150-L152 PolarHBondContact O-N 3.42Å; S150-L152 PolarHBondContact OG-N 2.74Å
153N58.4Low77.6Confident133 Ų13359.8 Ų59.871%0.71134%0.341SS*.G310 helixtrans-101.85.8-178.7-76.1-27.2000113.4S150 V151 T155S150-N153 PolarHBondContact O-N 3.42Å; V151-N153 VanDerWaalsContact C-N 3.32Å; V151-N153 PolarHBondContact O-N 2.84Å; N153-T155 PolarHBondContact O-N 3.34Å
154R61.7Low76.4Confident58 Ų5862.2 Ų62.222%0.21936%0.361CS..  trans-76.395.3174.1-70.9-169.4179.8-157.3-0.6109.1V149 V151 C156 G166V149-R154 HydrophobicContact CG1-CG 4.28Å; V151-R154 PolarHBondContact O-N 3.3Å; R154-C156 PolarHBondContact O-N 2.87Å; R154-G166 WeakPolarHBondContact CD-O 3.49Å; R154-G166 PolarHBondContact NE-O 3.26Å; R154-G166 VanDerWaalsContact NH1-C 3.28Å; R154-G166 PolarHBondContact NH1-O 3.37Å
155T61.2Low74.7Confident136 Ų13663 Ų6383%0.83437%0.366SS*.  trans-80.8104165.944.10000107.6N153N153-T155 PolarHBondContact O-N 3.34Å
156C68.9Low73.2Confident30 Ų3061.1 Ų61.120%0.20335%0.354CS..  trans-68.1156.2173.1-630000110.4R154 Q160 A162 C168R154-C156 PolarHBondContact O-N 2.87Å; C156-Q160 HydrophobicContact CB-CB 3.62Å; C156-Q160 WeakPolarHBondContact CB-O 3.43Å; C156-A162 VanDerWaalsContact SG-CA 3.58Å; C156-A162 VanDerWaalsContact SG-CB 3.58Å; C156-C168 WeakPolarHBondContact CA-SG 3.18Å; C156-C168 HydrophobicContact CB-CB 3.82Å; C156-C168 WeakPolarHBondContact CB-SG 3.1Å; C156-C168 VanDerWaalsContact SG-CA 3.52Å; C156-C168 WeakPolarHBondContact SG-CB 3.35Å; C156-C168 CovalentContact SG-SG 2.05Å; C156-C168 PolarHBondContact SG-SG 3.38Å
157G72.1Confident71.9Confident29 Ų2963.3 Ų63.330%0.29936%0.364SS..  trans-58.2167.917800000112.7N159 Q160G157-N159 PolarHBondContact O-N 2.94Å; G157-Q160 VanDerWaalsContact N-OE1 3.1Å; G157-Q160 PolarHBondContact O-N 2.71Å
158P65.6Low70.8Confident128 Ų12860 Ų6083%0.83136%0.359SS*.THydrogen-bonded Turntrans-57.6-18-17420.5-31.9000115.3
159N66.3Low69.8Low102 Ų10259.4 Ų59.455%0.54535%0.353SS..THydrogen-bonded Turntrans-119.222.7177.9-63.9-11.5000112.9G157 Q170 Q171G157-N159 PolarHBondContact O-N 2.94Å; N159-Q170 PolarHBondContact O-OE1 3.15Å; N159-Q171 WeakPolarHBondContact O-CB 3.39Å; N159-Q171 PolarHBondContact O-N 3.12Å
160Q72.7Confident69.1Low71 Ų7161.2 Ų61.233%0.33236%0.359SS..EExtended strand (participates in β ladder)trans-124.6146.2-176.7-70.5174.7-16.100111.7C156 G157 C168 L169C156-Q160 HydrophobicContact CB-CB 3.62Å; C156-Q160 WeakPolarHBondContact CB-O 3.43Å; G157-Q160 VanDerWaalsContact N-OE1 3.1Å; G157-Q160 PolarHBondContact O-N 2.71Å; Q160-C168 HydrophobicContact CB-CB 4.3Å; Q160-L169 CarbonylContact C-O 3.59Å; Q160-L169 WeakPolarHBondContact CA-O 3.39Å; Q160-L169 WeakPolarHBondContact CB-O 3.16Å
161V73.1Confident68.3Low43 Ų4363.6 Ų63.626%0.26137%0.368SS..EExtended strand (participates in β ladder)trans-114.1137.2-179.7-1740000109C168 L169 Q171 L174V161-C168 CarbonylContact O-C 3.59Å; V161-C168 WeakPolarHBondContact O-CA 3.45Å; V161-L169 PolarHBondContact N-O 2.76Å; V161-L169 PolarHBondContact O-N 3.23Å; V161-Q171 HydrophobicContact CG2-CG 3.71Å; V161-L174 HydrophobicContact CG1-CD1 4.17Å
162A73.3Confident68.1Low51 Ų5168 Ų6842%0.42139%0.386SS..EExtended strand (participates in β ladder)trans-84.7126.417700000110.5C156 E167C156-A162 VanDerWaalsContact SG-CA 3.58Å; C156-A162 VanDerWaalsContact SG-CB 3.58Å; A162-E167 CarbonylContact C-O 3.35Å; A162-E167 WeakPolarHBondContact CA-O 3.4Å
163C73.2Confident68.3Low7 Ų765.7 Ų65.75%0.04737%0.367CS..  trans-63160.7162.6-66.10000111T165 G166 E167 L169 C181C163-T165 WeakPolarHBondContact CB-OG1 3.29Å; C163-T165 PolarHBondContact O-N 2.89Å; C163-G166 WeakPolarHBondContact O-CA 3.39Å; C163-G166 PolarHBondContact O-N 2.96Å; C163-E167 HydrophobicContact CB-CB 4.25Å; C163-E167 PolarHBondContact N-O 3.31Å; C163-L169 WeakPolarHBondContact SG-CD1 3.34Å; C163-L169 VanDerWaalsContact SG-CG 3.52Å; C163-C181 WeakPolarHBondContact CA-SG 3.38Å; C163-C181 HydrophobicContact CB-CB 3.74Å; C163-C181 WeakPolarHBondContact CB-SG 3.44Å; C163-C181 WeakPolarHBondContact SG-CA 3.14Å; C163-C181 WeakPolarHBondContact SG-CB 3.4Å; C163-C181 CovalentContact SG-SG 2.03Å; C163-C181 PolarHBondContact SG-SG 2.76Å
164S69.6Low68.9Low81 Ų8161.8 Ų61.857%0.56635%0.345SS*.THydrogen-bonded Turntrans-66.1-18.7170.4-14.40000112.7V151 G166 D183 A185V151-S164 WeakPolarHBondContact CG1-O 3.45Å; S164-G166 VanDerWaalsContact C-N 3.3Å; S164-D183 WeakPolarHBondContact CB-OD2 3.29Å; S164-D183 PolarHBondContact OG-OD2 3.26Å; S164-A185 WeakPolarHBondContact OG-CB 3.29Å
165T61.4Low69.3Low17 Ų1759.7 Ų59.710%0.10434%0.339CS..THydrogen-bonded Turntrans-80.7-9.4168.858.90000113V73 C163 S182 D183V73-T165 WeakPolarHBondContact CG1-O 3.48Å; C163-T165 WeakPolarHBondContact CB-OG1 3.29Å; C163-T165 PolarHBondContact O-N 2.89Å; T165-S182 PolarHBondContact OG1-OG 3.37Å; T165-D183 HydrophobicContact CG2-CB 3.96Å
166G64.6Low69.3Low0 Ų054 Ų540%030%0.304CS..  trans90-1.517900000115R154 C163 S164R154-G166 WeakPolarHBondContact CD-O 3.49Å; R154-G166 PolarHBondContact NE-O 3.26Å; R154-G166 VanDerWaalsContact NH1-C 3.28Å; R154-G166 PolarHBondContact NH1-O 3.37Å; C163-G166 WeakPolarHBondContact O-CA 3.39Å; C163-G166 PolarHBondContact O-N 2.96Å; S164-G166 VanDerWaalsContact C-N 3.3Å
167E69.9Low68.8Low55 Ų5555.4 Ų55.426%0.25732%0.323SS..  trans-61.9140171.7-60.9-172.111800110.5A162 C163 S182A162-E167 CarbonylContact C-O 3.35Å; A162-E167 WeakPolarHBondContact CA-O 3.4Å; C163-E167 HydrophobicContact CB-CB 4.25Å; C163-E167 PolarHBondContact N-O 3.31Å; E167-S182 PolarHBondContact OE2-OG 2.91Å
168C73.7Confident68.1Low50 Ų5058.9 Ų58.934%0.33833%0.327SS..EExtended strand (participates in β ladder)trans-98105177.3-71.50000108.9C156 Q160 V161C156-C168 WeakPolarHBondContact CA-SG 3.18Å; C156-C168 HydrophobicContact CB-CB 3.82Å; C156-C168 WeakPolarHBondContact CB-SG 3.1Å; C156-C168 VanDerWaalsContact SG-CA 3.52Å; C156-C168 WeakPolarHBondContact SG-CB 3.35Å; C156-C168 CovalentContact SG-SG 2.05Å; C156-C168 PolarHBondContact SG-SG 3.38Å; Q160-C168 HydrophobicContact CB-CB 4.3Å; V161-C168 CarbonylContact O-C 3.59Å; V161-C168 WeakPolarHBondContact O-CA 3.45Å
169L72.9Confident68.2Low12 Ų1256.7 Ų56.76%0.06332%0.315CS..EExtended strand (participates in β ladder)trans-87.4157.6175.6-55.6-177.5000110.4Q160 V161 C163 W173 D180 C181 D186Q160-L169 CarbonylContact C-O 3.59Å; Q160-L169 WeakPolarHBondContact CA-O 3.39Å; Q160-L169 WeakPolarHBondContact CB-O 3.16Å; V161-L169 PolarHBondContact N-O 2.76Å; V161-L169 PolarHBondContact O-N 3.23Å; C163-L169 WeakPolarHBondContact SG-CD1 3.34Å; C163-L169 VanDerWaalsContact SG-CG 3.52Å; L169-W173 HydrophobicContact CB-CB 4.16Å; L169-W173 HydrophobicContact CB-CE3 4.1Å; L169-W173 HydrophobicContact CD2-CE3 3.84Å; L169-W173 HydrophobicContact CD2-CZ3 4.24Å; L169-W173 HydrophobicContact CG-CE3 4.46Å; L169-D180 HydrophobicContact CD1-CB 3.72Å; L169-D180 HydrophobicContact CD2-CB 4.09Å; L169-C181 HydrophobicContact CD1-CB 4.48Å; L169-C181 WeakPolarHBondContact CD1-SG 3.24Å; L169-D186 HydrophobicContact CD1-CB 3.86Å
170Q72.3Confident68.2Low70 Ų7054 Ų5433%0.32730%0.301SS..EExtended strand (participates in β ladder)trans-69.7147.5168.3-67.1-65.6-31.700109.1N159 Q172 W173N159-Q170 PolarHBondContact O-OE1 3.15Å; Q170-Q172 HydrophobicContact CB-CG 3.9Å; Q170-Q172 PolarHBondContact O-N 2.99Å; Q170-W173 HydrophobicContact CB-CD2 4.3Å; Q170-W173 HydrophobicContact CB-CG 4.32Å; Q170-W173 WeakPolarHBondContact O-CB 3.5Å; Q170-W173 PolarHBondContact O-N 3.35Å
171Q67.1Low68.1Low76 Ų7650.8 Ų50.836%0.35529%0.286SS..THydrogen-bonded Turntrans-53.8-23.6176.9-95.7-179.3-3.900114.6N159 V161 W173 Y195N159-Q171 WeakPolarHBondContact O-CB 3.39Å; N159-Q171 PolarHBondContact O-N 3.12Å; V161-Q171 HydrophobicContact CG2-CG 3.71Å; Q171-W173 VanDerWaalsContact C-N 3.28Å; Q171-Y195 WeakPolarHBondContact CB-OH 3.39Å; Q171-Y195 WeakPolarHBondContact O-CE1 3.05Å; Q171-Y195 WeakPolarHBondContact O-CE2 3.05Å
172Q65.9Low68Low123 Ų12351.3 Ų51.358%0.57529%0.292SS*.THydrogen-bonded Turntrans-77.2-9.217774.9-1641.500114.3Q170Q170-Q172 HydrophobicContact CB-CG 3.9Å; Q170-Q172 PolarHBondContact O-N 2.99Å
173W70.4Confident67.7Low108 Ų10851.9 Ų51.941%0.40929%0.288SS..SBendtrans-104.732.3179.7-60.7-11.4000110.5L169 Q170 Q171 D180L169-W173 HydrophobicContact CB-CB 4.16Å; L169-W173 HydrophobicContact CB-CE3 4.1Å; L169-W173 HydrophobicContact CD2-CE3 3.84Å; L169-W173 HydrophobicContact CD2-CZ3 4.24Å; L169-W173 HydrophobicContact CG-CE3 4.46Å; Q170-W173 HydrophobicContact CB-CD2 4.3Å; Q170-W173 HydrophobicContact CB-CG 4.32Å; Q170-W173 WeakPolarHBondContact O-CB 3.5Å; Q170-W173 PolarHBondContact O-N 3.35Å; Q171-W173 VanDerWaalsContact C-N 3.28Å; W173-D180 HydrophobicContact CB-CB 4.42Å; W173-D180 WeakPolarHBondContact CB-OD2 3.35Å; W173-D180 HydrophobicContact CE3-CB 4.41Å
174L71.1Confident67.4Low51 Ų5152.1 Ų52.127%0.26729%0.291SS..SBendtrans-122119.5178.4-172.280.5000107.3V161 D176 D186V161-L174 HydrophobicContact CG1-CD1 4.17Å; L174-D176 VanDerWaalsContact C-N 3.26Å; L174-D176 PolarHBondContact O-N 3.23Å; L174-D186 HydrophobicContact CD1-CB 4.13Å; L174-D186 WeakPolarHBondContact CD1-O 3.2Å
175C69.5Low67.8Low13 Ų1349.1 Ų49.19%0.08827%0.271CS..SBendtrans59.137.7-176.1-60.40000112.9D186 E187 C190C175-D186 PolarHBondContact N-O 3.33Å; C175-E187 VanDerWaalsContact C-OE1 3.26Å; C175-E187 WeakPolarHBondContact CA-OE1 3.1Å; C175-E187 PolarHBondContact N-OE1 3.04Å; C175-C190 VanDerWaalsContact CA-SG 3.52Å; C175-C190 HydrophobicContact CB-CB 3.61Å; C175-C190 WeakPolarHBondContact CB-SG 3.44Å; C175-C190 WeakPolarHBondContact SG-CA 2.99Å; C175-C190 WeakPolarHBondContact SG-CB 3.33Å; C175-C190 CovalentContact SG-SG 2.02Å; C175-C190 PolarHBondContact SG-SG 3.49Å
176D61.5Low68.5Low18 Ų1848.5 Ų48.510%0.09627%0.267CS..SBendtrans-95.73.4178.181-11000112.6L174 W178 E187 F198L174-D176 VanDerWaalsContact C-N 3.26Å; L174-D176 PolarHBondContact O-N 3.23Å; D176-W178 WeakPolarHBondContact OD1-CB 3.4Å; D176-W178 PolarHBondContact OD1-N 3.46Å; D176-E187 PolarHBondContact N-OE1 2.83Å; D176-F198 HydrophobicContact CB-CD2 4.41Å; D176-F198 WeakPolarHBondContact O-CB 3.31Å
177G59.7Low69.2Low58 Ų5851.2 Ų51.260%0.59828%0.28SS*.SBendtrans87.42.7178.600000114.1E187G177-E187 WeakPolarHBondContact CA-OE2 3.39Å; G177-E187 VanDerWaalsContact N-CD 3.25Å; G177-E187 PolarHBondContact N-OE1 3.15Å; G177-E187 PolarHBondContact N-OE2 2.89Å
178W57.3Low69.7Low102 Ų10254.7 Ų54.739%0.38630%0.296SS..SBendtrans-116.5142.6176.8-59.789.9000111D176 D180 D186 E187 G269D176-W178 WeakPolarHBondContact OD1-CB 3.4Å; D176-W178 PolarHBondContact OD1-N 3.46Å; W178-D180 VanDerWaalsContact C-N 3.31Å; W178-D180 PolarHBondContact O-N 2.83Å; W178-D180 VanDerWaalsContact O-N 3.09Å; W178-D186 VanDerWaalsContact O-OD2 3.06Å; W178-E187 WeakPolarHBondContact O-CG 2.98Å; W178-G269 VanDerWaalsContact CH2-CA 3.44Å
179S66.1Low69.6Low82 Ų8256 Ų5657%0.57332%0.317SS*.  trans-82.679.7172.9-178.80000109C181 G184S179-C181 PolarHBondContact OG-O 3.43Å; S179-G184 WeakPolarHBondContact OG-CA 2.81Å; S179-G184 PolarHBondContact OG-N 2.95Å
180D67.8Low69.5Low46 Ų4657.6 Ų57.625%0.24633%0.329CS..  trans-78.2-26173.9-66.3-50.4000111.7L169 W173 W178 D186L169-D180 HydrophobicContact CD1-CB 3.72Å; L169-D180 HydrophobicContact CD2-CB 4.09Å; W173-D180 HydrophobicContact CB-CB 4.42Å; W173-D180 WeakPolarHBondContact CB-OD2 3.35Å; W173-D180 HydrophobicContact CE3-CB 4.41Å; W178-D180 VanDerWaalsContact C-N 3.31Å; W178-D180 PolarHBondContact O-N 2.83Å; W178-D180 VanDerWaalsContact O-N 3.09Å; D180-D186 VanDerWaalsContact CA-OD2 3.28Å; D180-D186 WeakPolarHBondContact CA-OD2 3.19Å; D180-D186 WeakPolarHBondContact CB-OD2 3.3Å; D180-D186 PolarHBondContact N-OD2 3.12Å
181C70.6Confident69.2Low3 Ų358.9 Ų58.92%0.0235%0.352CS..SBendtrans-74.7140.5162.8-65.90000110.2C163 L169 S179 D183 G184 A185 D186C163-C181 WeakPolarHBondContact CA-SG 3.38Å; C163-C181 HydrophobicContact CB-CB 3.74Å; C163-C181 WeakPolarHBondContact CB-SG 3.44Å; C163-C181 WeakPolarHBondContact SG-CA 3.14Å; C163-C181 WeakPolarHBondContact SG-CB 3.4Å; C163-C181 CovalentContact SG-SG 2.03Å; C163-C181 PolarHBondContact SG-SG 2.76Å; L169-C181 HydrophobicContact CD1-CB 4.48Å; L169-C181 WeakPolarHBondContact CD1-SG 3.24Å; S179-C181 PolarHBondContact OG-O 3.43Å; C181-D183 VanDerWaalsContact CB-OD1 3.24Å; C181-D183 WeakPolarHBondContact CB-OD1 3.2Å; C181-D183 PolarHBondContact O-N 2.69Å; C181-D183 VanDerWaalsContact O-N 3.12Å; C181-G184 PolarHBondContact O-N 2.88Å; C181-A185 HydrophobicContact CB-CB 4.4Å; C181-D186 HydrophobicContact CB-CB 4.31Å; C181-D186 WeakPolarHBondContact CB-OD1 3.24Å; C181-D186 VanDerWaalsContact N-CG 3.29Å; C181-D186 PolarHBondContact N-OD1 2.9Å; C181-D186 VanDerWaalsContact N-OD1 3.14Å; C181-D186 PolarHBondContact N-OD2 3.07Å; C181-D186 VanDerWaalsContact N-OD2 3.09Å; C181-D186 VanDerWaalsContact SG-CB 3.56Å
182S69.3Low68.9Low55 Ų5562.8 Ų62.839%0.38538%0.375SS..THydrogen-bonded Turntrans-60.3-21.3175.5160000113.5T165 E167T165-S182 PolarHBondContact OG1-OG 3.37Å; E167-S182 PolarHBondContact OE2-OG 2.91Å
183D66.9Low68.6Low63 Ų6358.9 Ų58.934%0.33736%0.361SS..THydrogen-bonded Turntrans-105.84.5172.666.6-24.6000114S164 T165 C181 A185 Q188S164-D183 WeakPolarHBondContact CB-OD2 3.29Å; S164-D183 PolarHBondContact OG-OD2 3.26Å; T165-D183 HydrophobicContact CG2-CB 3.96Å; C181-D183 VanDerWaalsContact CB-OD1 3.24Å; C181-D183 WeakPolarHBondContact CB-OD1 3.2Å; C181-D183 PolarHBondContact O-N 2.69Å; C181-D183 VanDerWaalsContact O-N 3.12Å; D183-A185 PolarHBondContact O-N 2.93Å; D183-A185 VanDerWaalsContact OD1-CB 3.3Å; D183-A185 WeakPolarHBondContact OD1-CB 3.34Å; D183-A185 PolarHBondContact OD1-N 3.3Å; D183-A185 WeakPolarHBondContact OD2-CB 3.32Å; D183-Q188 PolarHBondContact O-NE2 3.29Å
184G68.4Low67.8Low11 Ų1160.1 Ų60.111%0.11338%0.381CS..  trans61.323.6-17700000114.4S179 C181 D186 E187 Q188S179-G184 WeakPolarHBondContact OG-CA 2.81Å; S179-G184 PolarHBondContact OG-N 2.95Å; C181-G184 PolarHBondContact O-N 2.88Å; G184-D186 VanDerWaalsContact C-N 3.26Å; G184-D186 VanDerWaalsContact CA-OD1 3.32Å; G184-D186 WeakPolarHBondContact CA-OD1 3.34Å; G184-D186 PolarHBondContact O-N 2.79Å; G184-E187 PolarHBondContact O-N 2.04Å; G184-Q188 VanDerWaalsContact C-NE2 3.33Å; G184-Q188 WeakPolarHBondContact O-CG 3.49Å; G184-Q188 PolarHBondContact O-NE2 2.99Å
185A78.3Confident66.8Low19 Ų1961.3 Ų61.316%0.15738%0.383CS..G310 helixtrans-68.1-25.6-178.600000113.9S164 C181 D183 E187 Q188S164-A185 WeakPolarHBondContact OG-CB 3.29Å; C181-A185 HydrophobicContact CB-CB 4.4Å; D183-A185 PolarHBondContact O-N 2.93Å; D183-A185 VanDerWaalsContact OD1-CB 3.3Å; D183-A185 WeakPolarHBondContact OD1-CB 3.34Å; D183-A185 PolarHBondContact OD1-N 3.3Å; D183-A185 WeakPolarHBondContact OD2-CB 3.32Å; A185-E187 PolarHBondContact O-N 3.35Å; A185-Q188 PolarHBondContact O-N 2.9Å
186D75.9Confident65.7Low3 Ų365.3 Ų65.32%0.01641%0.408CS..G310 helixtrans-60.5-25.9172.551.7-33.3000113.9L169 L174 C175 W178 D180 C181 G184L169-D186 HydrophobicContact CD1-CB 3.86Å; L174-D186 HydrophobicContact CD1-CB 4.13Å; L174-D186 WeakPolarHBondContact CD1-O 3.2Å; C175-D186 PolarHBondContact N-O 3.33Å; W178-D186 VanDerWaalsContact O-OD2 3.06Å; D180-D186 VanDerWaalsContact CA-OD2 3.28Å; D180-D186 WeakPolarHBondContact CA-OD2 3.19Å; D180-D186 WeakPolarHBondContact CB-OD2 3.3Å; D180-D186 PolarHBondContact N-OD2 3.12Å; C181-D186 HydrophobicContact CB-CB 4.31Å; C181-D186 WeakPolarHBondContact CB-OD1 3.24Å; C181-D186 VanDerWaalsContact N-CG 3.29Å; C181-D186 PolarHBondContact N-OD1 2.9Å; C181-D186 VanDerWaalsContact N-OD1 3.14Å; C181-D186 PolarHBondContact N-OD2 3.07Å; C181-D186 VanDerWaalsContact N-OD2 3.09Å; C181-D186 VanDerWaalsContact SG-CB 3.56Å; G184-D186 VanDerWaalsContact C-N 3.26Å; G184-D186 VanDerWaalsContact CA-OD1 3.32Å; G184-D186 WeakPolarHBondContact CA-OD1 3.34Å; G184-D186 PolarHBondContact O-N 2.79Å
187E79.4Confident64.9Low57 Ų5769.5 Ų69.527%0.26644%0.436SS..G310 helixtrans-98.86.1179-65.3-58.3120.600113.6C175 D176 G177 W178 G184 A185 C190C175-E187 VanDerWaalsContact C-OE1 3.26Å; C175-E187 WeakPolarHBondContact CA-OE1 3.1Å; C175-E187 PolarHBondContact N-OE1 3.04Å; D176-E187 PolarHBondContact N-OE1 2.83Å; G177-E187 WeakPolarHBondContact CA-OE2 3.39Å; G177-E187 VanDerWaalsContact N-CD 3.25Å; G177-E187 PolarHBondContact N-OE1 3.15Å; G177-E187 PolarHBondContact N-OE2 2.89Å; W178-E187 WeakPolarHBondContact O-CG 2.98Å; G184-E187 PolarHBondContact O-N 2.04Å; A185-E187 PolarHBondContact O-N 3.35Å; E187-C190 VanDerWaalsContact C-SG 3.57Å; E187-C190 PolarHBondContact O-SG 3.02Å; E187-C190 VanDerWaalsContact O-SG 3.41Å
188Q78.7Confident64.1Low129 Ų12971.8 Ų71.860%0.60343%0.43SS*.SBendtrans-98128-177.2-67.6165.636.600110.7D183 G184 A185D183-Q188 PolarHBondContact O-NE2 3.29Å; G184-Q188 VanDerWaalsContact C-NE2 3.33Å; G184-Q188 WeakPolarHBondContact O-CG 3.49Å; G184-Q188 PolarHBondContact O-NE2 2.99Å; A185-Q188 PolarHBondContact O-N 2.9Å
189G72.6Confident63.6Low76 Ų7672 Ų7278%0.78444%0.443SS*.SBendtrans84.823.5174.300000115.5A191G189-A191 PolarHBondContact O-N 3.13Å
190C69.9Low63Low47 Ų4769.5 Ų69.532%0.31843%0.425SS..G310 helixtrans-68.510.1-177.2-57.60000116.7C175 E187 N192 S193C175-C190 VanDerWaalsContact CA-SG 3.52Å; C175-C190 HydrophobicContact CB-CB 3.61Å; C175-C190 WeakPolarHBondContact CB-SG 3.44Å; C175-C190 WeakPolarHBondContact SG-CA 2.99Å; C175-C190 WeakPolarHBondContact SG-CB 3.33Å; C175-C190 CovalentContact SG-SG 2.02Å; C175-C190 PolarHBondContact SG-SG 3.49Å; E187-C190 VanDerWaalsContact C-SG 3.57Å; E187-C190 PolarHBondContact O-SG 3.02Å; E187-C190 VanDerWaalsContact O-SG 3.41Å; C190-N192 PolarHBondContact O-N 3Å; C190-N192 VanDerWaalsContact O-N 3.11Å; C190-S193 PolarHBondContact O-N 2.76Å
191A66.9Low62.9Low96 Ų9671.2 Ų71.279%0.79344%0.441SS*.G310 helixtrans-62.4-21.7-175.500000114.3G189G189-A191 PolarHBondContact O-N 3.13Å
192N60.9Low63.3Low159 Ų15973.5 Ų73.585%0.8546%0.457SS*.G310 helixtrans-124.816.9-179-74.7-21.2000113.1C190 T194C190-N192 PolarHBondContact O-N 3Å; C190-N192 VanDerWaalsContact O-N 3.11Å; N192-T194 PolarHBondContact O-N 2.93Å
193S59.3Low64Low40 Ų4074.2 Ų74.228%0.2845%0.454SS..  trans-67.2132.4-179.3-168.60000110.9C190 Y195C190-S193 PolarHBondContact O-N 2.76Å; S193-Y195 VanDerWaalsContact C-N 3.3Å; S193-Y195 WeakPolarHBondContact OG-CB 3.37Å; S193-Y195 PolarHBondContact OG-N 3.43Å
194T53.1Low64.9Low135 Ų13576.5 Ų76.583%0.82847%0.465SS*.SBendtrans-82.9-12169.148.50000112.2N192N192-T194 PolarHBondContact O-N 2.93Å
195Y50.8Low66Low76 Ų7676.4 Ų76.430%0.29846%0.461SS..SBendtrans-67.5124.6165.6-63.4-77.8000106.2Q171 S193Q171-Y195 WeakPolarHBondContact CB-OH 3.39Å; Q171-Y195 WeakPolarHBondContact O-CE1 3.05Å; Q171-Y195 WeakPolarHBondContact O-CE2 3.05Å; S193-Y195 VanDerWaalsContact C-N 3.3Å; S193-Y195 WeakPolarHBondContact OG-CB 3.37Å; S193-Y195 PolarHBondContact OG-N 3.43Å
196P46.3Very low66.4Low97 Ų9782.7 Ų82.763%0.6349%0.488SS*.PPolyproline II helixtrans-52.9136.6174.423.5-30.6000106.6F198P196-F198 PolarHBondContact O-N 2.91Å
197P44.2Very low66.9Low105 Ų10583 Ų8368%0.68249%0.49SS*.PPolyproline II helixtrans-49123.6162.423.7-31.3000104.2T199P197-T199 PolarHBondContact O-N 2.85Å
198F43.6Very low67.2Low107 Ų10788.2 Ų88.247%0.46951%0.514SS..  trans-62.395176.4-139-86000104.1D176 P196 S200D176-F198 HydrophobicContact CB-CD2 4.41Å; D176-F198 WeakPolarHBondContact O-CB 3.31Å; P196-F198 PolarHBondContact O-N 2.91Å; F198-S200 PolarHBondContact O-N 3.25Å
199T47.5Very low67.4Low105 Ų10584.6 Ų84.664%0.64450%0.498SS*.  trans-58.7105.3149.656.30000100.8P197 S201P197-T199 PolarHBondContact O-N 2.85Å; T199-S201 PolarHBondContact O-N 3.12Å
200S52.3Low68.2Low30 Ų3081 Ų8121%0.2146%0.461CS..  trans-56.881161.956.90000104.9F198 C202F198-S200 PolarHBondContact O-N 3.25Å; S200-C202 PolarHBondContact O-N 3.42Å
201S65.4Low69.1Low83 Ų8383.8 Ų83.858%0.5847%0.469SS*.  trans-78.888.2-175.458.40000102.7T199 E203T199-S201 PolarHBondContact O-N 3.12Å; S201-E203 PolarHBondContact O-N 3.23Å
202C79.8Confident70Confident51 Ų5182.2 Ų82.235%0.34546%0.462SS..  trans-33.3112.2165.3-63.90000108.4S200 F217 T218 C264S200-C202 PolarHBondContact O-N 3.42Å; C202-F217 HydrophobicContact CB-CB 3.91Å; C202-F217 HydrophobicContact CB-CD1 4.14Å; C202-F217 HydrophobicContact CB-CG 4.22Å; C202-T218 CarbonylContact C-O 3.47Å; C202-T218 WeakPolarHBondContact CA-O 3.32Å; C202-C264 WeakPolarHBondContact CA-SG 3.48Å; C202-C264 HydrophobicContact CB-CB 3.67Å; C202-C264 WeakPolarHBondContact CB-SG 3.34Å; C202-C264 WeakPolarHBondContact SG-CB 3.36Å; C202-C264 CovalentContact SG-SG 2.03Å; C202-C264 PolarHBondContact SG-SG 3.35Å
203E83.6Confident71.3Confident69 Ų6975.3 Ų75.332%0.32243%0.425SS..EExtended strand (participates in β ladder)trans-98.5149.1-179.256174.8149.600109S201 F217 T218 F220 Q230S201-E203 PolarHBondContact O-N 3.23Å; E203-F217 CarbonylContact O-C 3.53Å; E203-F217 VanDerWaalsContact O-CA 3.24Å; E203-F217 WeakPolarHBondContact O-CA 3.49Å; E203-T218 HydrophobicContact CG-CG2 3.89Å; E203-T218 WeakPolarHBondContact CG-O 3.45Å; E203-T218 PolarHBondContact N-O 3.32Å; E203-T218 PolarHBondContact O-N 3.17Å; E203-F220 VanDerWaalsContact OE1-CD2 3.26Å; E203-F220 WeakPolarHBondContact OE1-CD2 3.42Å; E203-Q230 PolarHBondContact OE2-NE2 3.45Å
204I86.1Confident72.7Confident111 Ų11177.3 Ų77.357%0.56944%0.439SS*.EExtended strand (participates in β ladder)trans-70.3140.5179.8-63.5171.8000108.5E206 N216 F217 Q230I204-E206 PolarHBondContact O-N 3.5Å; I204-E206 VanDerWaalsContact O-N 3.11Å; I204-N216 WeakPolarHBondContact CA-O 3.48Å; I204-F217 HydrophobicContact CD1-CE1 4.46Å; I204-F217 HydrophobicContact CG1-CD1 4.02Å; I204-F217 HydrophobicContact CG1-CE1 3.58Å; I204-F217 HydrophobicContact CG1-CZ 4.41Å; I204-Q230 PolarHBondContact O-NE2 3.3Å
205I91Very high74.5Confident9 Ų971.6 Ų71.65%0.04640%0.403CS..  trans-67109.8174.8-62.2168.5000109.8V207 C210 L213 Y215 N216 T218 L261I205-V207 HydrophobicContact CG2-CB 4.39Å; I205-C210 HydrophobicContact CG2-CB 4.33Å; I205-L213 HydrophobicContact CD1-CD1 4.25Å; I205-Y215 HydrophobicContact CD1-CD2 3.86Å; I205-Y215 HydrophobicContact CD1-CE2 3.65Å; I205-N216 PolarHBondContact N-O 2.98Å; I205-T218 HydrophobicContact CG1-CG2 3.96Å; I205-L261 HydrophobicContact CG2-CD1 4.04Å
206E86.2Confident76.4Confident152 Ų15273 Ų7371%0.7142%0.415SS*.  trans-90-15.3179-61.5-167.5159.600112.4I204 E208I204-E206 PolarHBondContact O-N 3.5Å; I204-E206 VanDerWaalsContact O-N 3.11Å; E206-E208 PolarHBondContact O-N 2.95Å; E206-E208 VanDerWaalsContact O-N 3.14Å
207V87.6Confident78.4Confident9 Ų973.1 Ų73.16%0.05541%0.406CS..  trans-73.9104.8-176.4-174.20000110.9I205 M209 C210 Q211 Q230 A234 L237 L261I205-V207 HydrophobicContact CG2-CB 4.39Å; V207-M209 VanDerWaalsContact C-N 3.27Å; V207-M209 HydrophobicContact CG1-CG 3.89Å; V207-M209 PolarHBondContact O-N 2.87Å; V207-M209 VanDerWaalsContact O-N 3.09Å; V207-C210 HydrophobicContact CB-CB 4.49Å; V207-C210 CarbonylContact O-C 3.59Å; V207-C210 PolarHBondContact O-N 3.45Å; V207-Q211 PolarHBondContact O-N 3.5Å; V207-Q230 HydrophobicContact CG2-CB 4.24Å; V207-A234 HydrophobicContact CG1-CB 3.96Å; V207-A234 HydrophobicContact CG2-CB 3.93Å; V207-L237 HydrophobicContact CG1-CD1 4.08Å; V207-L261 HydrophobicContact CB-CD1 3.77Å; V207-L261 HydrophobicContact CG1-CD1 4.25Å; V207-L261 HydrophobicContact CG2-CD1 3.87Å; V207-L261 HydrophobicContact CG2-CD2 3.8Å; V207-L261 HydrophobicContact CG2-CG 4.44Å
208E84.9Confident80.6Confident166 Ų16668.1 Ų68.178%0.77637%0.374SS*.G310 helixtrans-47-43.6-175.3-66.3-178.6169.900114.3E206 C210 Q211E206-E208 PolarHBondContact O-N 2.95Å; E206-E208 VanDerWaalsContact O-N 3.14Å; E208-C210 PolarHBondContact O-N 2.66Å; E208-Q211 PolarHBondContact O-N 3.19Å
209M83.6Confident82.6Confident53 Ų5363.5 Ų63.526%0.26135%0.354SS..G310 helixtrans-71.3-12.8-176.869.3179.882.900114.5V207 L237 M244V207-M209 VanDerWaalsContact C-N 3.27Å; V207-M209 HydrophobicContact CG1-CG 3.89Å; V207-M209 PolarHBondContact O-N 2.87Å; V207-M209 VanDerWaalsContact O-N 3.09Å; M209-L237 HydrophobicContact CE-CB 4.12Å; M209-L237 HydrophobicContact SD-CB 3.58Å; M209-L237 VanDerWaalsContact SD-CB 3.58Å; M209-M244 HydrophobicContact CB-CE 4.17Å; M209-M244 HydrophobicContact CG-CE 4.01Å; M209-M244 HydrophobicContact SD-CE 3.68Å
210C89.6Confident84.1Confident1 Ų159.3 Ų59.31%0.00733%0.327CS..G310 helixtrans-115.915.3179.8-63.70000112.5I205 V207 E208 L213 C257 L261I205-C210 HydrophobicContact CG2-CB 4.33Å; V207-C210 HydrophobicContact CB-CB 4.49Å; V207-C210 CarbonylContact O-C 3.59Å; V207-C210 PolarHBondContact O-N 3.45Å; E208-C210 PolarHBondContact O-N 2.66Å; C210-L213 WeakPolarHBondContact O-CG 3.36Å; C210-C257 WeakPolarHBondContact CA-SG 3.46Å; C210-C257 HydrophobicContact CB-CB 3.58Å; C210-C257 WeakPolarHBondContact CB-SG 3.34Å; C210-C257 VanDerWaalsContact SG-CA 3.56Å; C210-C257 WeakPolarHBondContact SG-CB 3.37Å; C210-C257 CovalentContact SG-SG 2.03Å; C210-C257 PolarHBondContact SG-SG 3.27Å; C210-L261 HydrophobicContact CB-CD1 3.34Å; C210-L261 VanDerWaalsContact SG-CD1 3.58Å
211Q88.1Confident85.3Confident105 Ų10561.2 Ų61.249%0.49134%0.339SS..THydrogen-bonded Turntrans-76.3146.2169.5-68.7177.4-13.200110.7V207 E208V207-Q211 PolarHBondContact O-N 3.5Å; E208-Q211 PolarHBondContact O-N 3.19Å
212G85.3Confident86Confident63 Ų6357.3 Ų57.365%0.64931%0.311SS*.THydrogen-bonded Turntrans82.823.9178.900000114.9
213L89.1Confident85.4Confident14 Ų1460 Ų607%0.07332%0.322CS..SBendtrans-69.3174.4162.7-61.5173000110.6I205 C210 Y215 K254 C257 P315I205-L213 HydrophobicContact CD1-CD1 4.25Å; C210-L213 WeakPolarHBondContact O-CG 3.36Å; L213-Y215 HydrophobicContact CB-CD1 4.41Å; L213-Y215 HydrophobicContact CB-CE1 4.31Å; L213-Y215 HydrophobicContact CD1-CE1 4.17Å; L213-Y215 HydrophobicContact CD1-CE2 4.19Å; L213-Y215 PolarHBondContact O-N 2.61Å; L213-Y215 VanDerWaalsContact O-N 3.17Å; L213-K254 HydrophobicContact CD2-CG 4.38Å; L213-C257 HydrophobicContact CD1-CB 3.87Å; L213-C257 HydrophobicContact CD2-CB 4.12Å; L213-P315 HydrophobicContact CD2-CB 4.04Å
214S89.7Confident84.9Confident83 Ų8363 Ų6358%0.5833%0.33SS*.SBendtrans-63.5-13.5173.466.20000114.1Q314 P315S214-Q314 PolarHBondContact OG-O 2.02Å; S214-P315 PolarHBondContact N-OXT 2.99Å; S214-P315 WeakPolarHBondContact OG-CA 3.29Å; S214-P315 PolarHBondContact OG-OXT 3.22Å
215Y90Very high84.7Confident15 Ų1560.5 Ų60.56%0.05932%0.317CS..  trans-132.5157.2175.960.9-87000111.6I205 L213 F217 G258 L261 Q263 P315I205-Y215 HydrophobicContact CD1-CD2 3.86Å; I205-Y215 HydrophobicContact CD1-CE2 3.65Å; L213-Y215 HydrophobicContact CB-CD1 4.41Å; L213-Y215 HydrophobicContact CB-CE1 4.31Å; L213-Y215 HydrophobicContact CD1-CE1 4.17Å; L213-Y215 HydrophobicContact CD1-CE2 4.19Å; L213-Y215 PolarHBondContact O-N 2.61Å; L213-Y215 VanDerWaalsContact O-N 3.17Å; Y215-F217 WeakPolarHBondContact CD2-O 3.47Å; Y215-G258 WeakPolarHBondContact OH-CA 3.22Å; Y215-L261 WeakPolarHBondContact CE2-O 2.94Å; Y215-L261 PolarHBondContact OH-O 3.33Å; Y215-Q263 HydrophobicContact CD1-CB 3.83Å; Y215-Q263 HydrophobicContact CD1-CG 4Å; Y215-Q263 HydrophobicContact CD2-CB 3.81Å; Y215-Q263 HydrophobicContact CD2-CG 3.96Å; Y215-Q263 HydrophobicContact CE1-CB 3.84Å; Y215-Q263 HydrophobicContact CE2-CB 3.81Å; Y215-Q263 HydrophobicContact CE2-CG 4.47Å; Y215-Q263 HydrophobicContact CG-CB 3.82Å; Y215-Q263 HydrophobicContact CG-CG 3.7Å; Y215-P315 HydrophobicContact CE1-CB 3.79Å; Y215-P315 HydrophobicContact CE1-CG 4.07Å
216N90.7Very high84.1Confident104 Ų10465 Ų6556%0.55635%0.35SS*.  trans-112.9-7-177.4-64.4-34.8000113.6I204 I205I204-N216 WeakPolarHBondContact CA-O 3.48Å; I205-N216 PolarHBondContact N-O 2.98Å
217F88.9Confident83.7Confident101 Ų10158 Ų5844%0.44332%0.317SS..EExtended strand (participates in β ladder)trans-121130.4-172.1-65.3-78.7000111.7C202 E203 I204 Y215 C264C202-F217 HydrophobicContact CB-CB 3.91Å; C202-F217 HydrophobicContact CB-CD1 4.14Å; C202-F217 HydrophobicContact CB-CG 4.22Å; E203-F217 CarbonylContact O-C 3.53Å; E203-F217 VanDerWaalsContact O-CA 3.24Å; E203-F217 WeakPolarHBondContact O-CA 3.49Å; I204-F217 HydrophobicContact CD1-CE1 4.46Å; I204-F217 HydrophobicContact CG1-CD1 4.02Å; I204-F217 HydrophobicContact CG1-CE1 3.58Å; I204-F217 HydrophobicContact CG1-CZ 4.41Å; Y215-F217 WeakPolarHBondContact CD2-O 3.47Å; F217-C264 HydrophobicContact CB-CB 4.22Å; F217-C264 PolarHBondContact O-N 2.85Å
218T89.4Confident83Confident0 Ų060.5 Ų60.50%034%0.339CS..EExtended strand (participates in β ladder)trans-118.7175.3174.6-168.70000109.9C202 E203 I205 F220 Q230 L261 P262C202-T218 CarbonylContact C-O 3.47Å; C202-T218 WeakPolarHBondContact CA-O 3.32Å; E203-T218 HydrophobicContact CG-CG2 3.89Å; E203-T218 WeakPolarHBondContact CG-O 3.45Å; E203-T218 PolarHBondContact N-O 3.32Å; E203-T218 PolarHBondContact O-N 3.17Å; I205-T218 HydrophobicContact CG1-CG2 3.96Å; T218-F220 HydrophobicContact CG2-CD2 4.14Å; T218-F220 HydrophobicContact CG2-CE2 3.85Å; T218-Q230 HydrophobicContact CG2-CG 4.1Å; T218-L261 HydrophobicContact CG2-CD2 4.27Å; T218-L261 PolarHBondContact OG1-O 3.09Å; T218-P262 VanDerWaalsContact CA-O 3.3Å; T218-P262 WeakPolarHBondContact CA-O 2.96Å; T218-P262 WeakPolarHBondContact CB-O 3.01Å; T218-P262 PolarHBondContact OG1-O 3.41Å
219S86.6Confident82.7Confident9 Ų955 Ų556%0.06332%0.315CS..  trans-145.1137.2173.2-172.40000109.1V270S219-V270 VanDerWaalsContact O-CG1 3.23Å; S219-V270 WeakPolarHBondContact O-CG1 3.48Å
220F78.7Confident82.9Confident18 Ų1853 Ų538%0.07931%0.305CS..SBendtrans-117.2156.8176.7-83.3-98.6000111.2E203 T218 N222 I227 Q230 A233 F260 L261E203-F220 VanDerWaalsContact OE1-CD2 3.26Å; E203-F220 WeakPolarHBondContact OE1-CD2 3.42Å; T218-F220 HydrophobicContact CG2-CD2 4.14Å; T218-F220 HydrophobicContact CG2-CE2 3.85Å; F220-N222 HydrophobicContact CD1-CB 4.11Å; F220-N222 HydrophobicContact CE1-CB 3.8Å; F220-N222 HydrophobicContact CZ-CB 4.44Å; F220-I227 HydrophobicContact CD1-CG2 4.42Å; F220-I227 HydrophobicContact CE1-CB 4.24Å; F220-I227 HydrophobicContact CE1-CG2 3.78Å; F220-Q230 HydrophobicContact CD2-CG 3.77Å; F220-Q230 HydrophobicContact CE2-CB 4.44Å; F220-Q230 HydrophobicContact CE2-CG 3.47Å; F220-Q230 VanDerWaalsContact CE2-CG 3.47Å; F220-Q230 HydrophobicContact CZ-CG 4.16Å; F220-A233 HydrophobicContact CE1-CB 4.19Å; F220-A233 HydrophobicContact CZ-CB 3.94Å; F220-F260 VanDerWaalsContact CZ-O 3.24Å; F220-F260 WeakPolarHBondContact CZ-O 3.2Å; F220-L261 HydrophobicContact CE2-CD2 3.73Å; F220-L261 HydrophobicContact CZ-CD2 3.79Å
221P77.9Confident82.4Confident70 Ų7062 Ų6246%0.45534%0.338SS..  cis-75.9149731.2-35.7000114.3I223 I227P221-I223 HydrophobicContact CG-CG1 4.21Å; P221-I223 PolarHBondContact O-N 2.84Å; P221-I227 CarbonylContact C-O 3.53Å
222N78.9Confident82.2Confident0 Ų060.8 Ų60.80%033%0.333CS..BIsolated β-bridgetrans-86.586.7169.7179-4.1000109.1F220 W224 L225 S226 I227 M259 F260F220-N222 HydrophobicContact CD1-CB 4.11Å; F220-N222 HydrophobicContact CE1-CB 3.8Å; F220-N222 HydrophobicContact CZ-CB 4.44Å; N222-W224 VanDerWaalsContact C-N 3.28Å; N222-W224 PolarHBondContact O-N 3.19Å; N222-W224 PolarHBondContact OD1-N 3.32Å; N222-L225 PolarHBondContact O-N 3.37Å; N222-S226 PolarHBondContact O-N 3.02Å; N222-I227 HydrophobicContact CB-CB 4.21Å; N222-I227 PolarHBondContact N-O 2.81Å; N222-I227 PolarHBondContact O-N 3.29Å; N222-M259 PolarHBondContact ND2-O 2.03Å; N222-F260 PolarHBondContact ND2-O 2.79Å
223I66.7Low82.2Confident109 Ų10957.8 Ų57.856%0.55930%0.302SS*.G310 helixtrans-61.3-35.9-174.4-60.5171.2000111.8P221 L225 S226P221-I223 HydrophobicContact CG-CG1 4.21Å; P221-I223 PolarHBondContact O-N 2.84Å; I223-L225 PolarHBondContact O-N 3.45Å; I223-S226 PolarHBondContact O-N 3.04Å
224W74.6Confident82.1Confident132 Ų13258.3 Ų58.350%0.531%0.308SS..G310 helixtrans-57.5-38.6-178.6-175.8-89.5000112.5N222 L302N222-W224 VanDerWaalsContact C-N 3.28Å; N222-W224 PolarHBondContact O-N 3.19Å; N222-W224 PolarHBondContact OD1-N 3.32Å; W224-L302 HydrophobicContact CH2-CB 3.96Å; W224-L302 HydrophobicContact CZ2-CB 3.8Å; W224-L302 HydrophobicContact CZ2-CD1 4.13Å
225L80.3Confident81.7Confident57 Ų5757.9 Ų57.930%0.29830%0.302SS..G310 helixtrans-103.54.7177.3-61.6179.8000112.9N222 I223 I227 F260N222-L225 PolarHBondContact O-N 3.37Å; I223-L225 PolarHBondContact O-N 3.45Å; L225-I227 VanDerWaalsContact C-N 3.3Å; L225-I227 HydrophobicContact CB-CD1 3.6Å; L225-I227 HydrophobicContact CB-CG1 3.75Å; L225-I227 HydrophobicContact CD1-CD1 3.95Å; L225-I227 HydrophobicContact CG-CD1 4.44Å; L225-I227 PolarHBondContact O-N 3.08Å; L225-F260 HydrophobicContact CD1-CD1 4.13Å; L225-F260 HydrophobicContact CD1-CD2 3.74Å; L225-F260 HydrophobicContact CD1-CE1 4.15Å; L225-F260 HydrophobicContact CD1-CE2 3.8Å; L225-F260 HydrophobicContact CD1-CG 3.93Å; L225-F260 HydrophobicContact CD1-CZ 4.01Å
226S78.8Confident81.5Confident105 Ų10560.9 Ų60.973%0.73432%0.319SS*.THydrogen-bonded Turntrans53.143.7-174.1-156.80000113.2N222 I223N222-S226 PolarHBondContact O-N 3.02Å; I223-S226 PolarHBondContact O-N 3.04Å
227I77.9Confident81.3Confident3 Ų356 Ų562%0.01529%0.293CS..BIsolated β-bridgetrans-105.1126.2-179.5-55.2171000109.4F220 P221 N222 L225 D229 E232 A233 L236 F260F220-I227 HydrophobicContact CD1-CG2 4.42Å; F220-I227 HydrophobicContact CE1-CB 4.24Å; F220-I227 HydrophobicContact CE1-CG2 3.78Å; P221-I227 CarbonylContact C-O 3.53Å; N222-I227 HydrophobicContact CB-CB 4.21Å; N222-I227 PolarHBondContact N-O 2.81Å; N222-I227 PolarHBondContact O-N 3.29Å; L225-I227 VanDerWaalsContact C-N 3.3Å; L225-I227 HydrophobicContact CB-CD1 3.6Å; L225-I227 HydrophobicContact CB-CG1 3.75Å; L225-I227 HydrophobicContact CD1-CD1 3.95Å; L225-I227 HydrophobicContact CG-CD1 4.44Å; L225-I227 PolarHBondContact O-N 3.08Å; I227-D229 WeakPolarHBondContact CG2-O 3.42Å; I227-E232 HydrophobicContact CG2-CB 3.83Å; I227-E232 HydrophobicContact CG2-CG 3.91Å; I227-A233 HydrophobicContact CG2-CB 4.01Å; I227-L236 HydrophobicContact CD1-CD1 3.81Å; I227-L236 HydrophobicContact CG1-CD1 3.89Å; I227-F260 HydrophobicContact CD1-CD1 3.52Å; I227-F260 HydrophobicContact CD1-CE1 3.79Å; I227-F260 HydrophobicContact CD1-CG 4.38Å
228A74.2Confident81Confident63 Ų6358.9 Ų58.952%0.52130%0.301SS..  trans-79.2-38.8-173.300000113.4E232A228-E232 WeakPolarHBondContact CB-OE2 3.4Å; A228-E232 PolarHBondContact N-OE2 2.97Å
229D78.8Confident80.5Confident51 Ų5166 Ų6627%0.27333%0.334SS..SBendtrans-148.8167.2-173.167.841000113.5I227 R231 E232 A233I227-D229 WeakPolarHBondContact CG2-O 3.42Å; D229-R231 PolarHBondContact O-N 2.83Å; D229-R231 WeakPolarHBondContact OD1-CA 3.22Å; D229-R231 VanDerWaalsContact OD1-CB 3.27Å; D229-R231 WeakPolarHBondContact OD1-CB 3.46Å; D229-R231 PolarHBondContact OD1-N 2.9Å; D229-R231 IonicContact OD2-CZ 3.93Å; D229-R231 IonicContact OD2-NE 3.93Å; D229-R231 IonicContact OD2-NH2 3.19Å; D229-R231 PolarHBondContact OD2-NH2 2.86Å; D229-E232 PolarHBondContact O-N 3.06Å; D229-E232 PolarHBondContact OD1-N 3.11Å; D229-A233 PolarHBondContact O-N 2.98Å
230Q86.3Confident80.1Confident9 Ų967.3 Ų67.34%0.04234%0.338CS..Hα-helixtrans-60.8-26.5177.7-70.1-164.863.200113.8E203 I204 V207 T218 F220 A234 L261E203-Q230 PolarHBondContact OE2-NE2 3.45Å; I204-Q230 PolarHBondContact O-NE2 3.3Å; V207-Q230 HydrophobicContact CG2-CB 4.24Å; T218-Q230 HydrophobicContact CG2-CG 4.1Å; F220-Q230 HydrophobicContact CD2-CG 3.77Å; F220-Q230 HydrophobicContact CE2-CB 4.44Å; F220-Q230 HydrophobicContact CE2-CG 3.47Å; F220-Q230 VanDerWaalsContact CE2-CG 3.47Å; F220-Q230 HydrophobicContact CZ-CG 4.16Å; Q230-A234 VanDerWaalsContact O-CB 3.3Å; Q230-A234 WeakPolarHBondContact O-CB 3.15Å; Q230-A234 PolarHBondContact O-N 3.43Å; Q230-L261 HydrophobicContact CB-CD2 4.36Å; Q230-L261 HydrophobicContact CG-CD2 3.84Å
231R80.8Confident80Confident190 Ų19073.2 Ų73.272%0.71736%0.36SS*.Hα-helixtrans-74.2-38.6179.9174.1-169.963-171.4-8.2110.9D229 T235D229-R231 PolarHBondContact O-N 2.83Å; D229-R231 WeakPolarHBondContact OD1-CA 3.22Å; D229-R231 VanDerWaalsContact OD1-CB 3.27Å; D229-R231 WeakPolarHBondContact OD1-CB 3.46Å; D229-R231 PolarHBondContact OD1-N 2.9Å; D229-R231 IonicContact OD2-CZ 3.93Å; D229-R231 IonicContact OD2-NE 3.93Å; D229-R231 IonicContact OD2-NH2 3.19Å; D229-R231 PolarHBondContact OD2-NH2 2.86Å; R231-T235 PolarHBondContact O-N 2.03Å; R231-T235 VanDerWaalsContact O-N 3.11Å; R231-T235 PolarHBondContact O-OG1 2.82Å
232E81.9Confident79.7Confident81 Ų8175.1 Ų75.138%0.37937%0.369SS..Hα-helixtrans-65.7-45.9171.2-173.5174.3-152.900110.5I227 A228 D229 A234 T235 L236I227-E232 HydrophobicContact CG2-CB 3.83Å; I227-E232 HydrophobicContact CG2-CG 3.91Å; A228-E232 WeakPolarHBondContact CB-OE2 3.4Å; A228-E232 PolarHBondContact N-OE2 2.97Å; D229-E232 PolarHBondContact O-N 3.06Å; D229-E232 PolarHBondContact OD1-N 3.11Å; E232-A234 VanDerWaalsContact C-N 3.34Å; E232-A234 PolarHBondContact O-N 3.04Å; E232-T235 WeakPolarHBondContact O-CB 3.1Å; E232-T235 PolarHBondContact O-N 3.28Å; E232-L236 PolarHBondContact O-N 2.88Å
233A87.1Confident79.3Confident0 Ų076.1 Ų76.10%038%0.375CS..Hα-helixtrans-54.5-49.317300000111.6F220 I227 D229 T235 L236 L237 L261F220-A233 HydrophobicContact CE1-CB 4.19Å; F220-A233 HydrophobicContact CZ-CB 3.94Å; I227-A233 HydrophobicContact CG2-CB 4.01Å; D229-A233 PolarHBondContact O-N 2.98Å; A233-T235 PolarHBondContact O-N 3.27Å; A233-L236 PolarHBondContact O-N 2.83Å; A233-L237 WeakPolarHBondContact O-CB 3.29Å; A233-L237 WeakPolarHBondContact O-CG 2.95Å; A233-L237 PolarHBondContact O-N 2.97Å; A233-L261 HydrophobicContact CB-CD2 4.32Å
234A86.7Confident79.3Confident24 Ų2472.3 Ų72.320%0.19836%0.355CS..Hα-helixtrans-59.2-32.2177.300000113V207 Q230 E232 R238V207-A234 HydrophobicContact CG1-CB 3.96Å; V207-A234 HydrophobicContact CG2-CB 3.93Å; Q230-A234 VanDerWaalsContact O-CB 3.3Å; Q230-A234 WeakPolarHBondContact O-CB 3.15Å; Q230-A234 PolarHBondContact O-N 3.43Å; E232-A234 VanDerWaalsContact C-N 3.34Å; E232-A234 PolarHBondContact O-N 3.04Å; A234-R238 WeakPolarHBondContact O-CG 3.34Å
235T81.1Confident78.8Confident74 Ų7472.4 Ų72.445%0.45436%0.361SS..Hα-helixtrans-72-45.9178.7-59.80000111.2R231 E232 A233 R238R231-T235 PolarHBondContact O-N 2.03Å; R231-T235 VanDerWaalsContact O-N 3.11Å; R231-T235 PolarHBondContact O-OG1 2.82Å; E232-T235 WeakPolarHBondContact O-CB 3.1Å; E232-T235 PolarHBondContact O-N 3.28Å; A233-T235 PolarHBondContact O-N 3.27Å; T235-R238 WeakPolarHBondContact O-CB 3.1Å; T235-R238 PolarHBondContact O-N 2.93Å
236L85.2Confident78.3Confident79 Ų7973.3 Ų73.341%0.41437%0.366SS..Hα-helixtrans-66.3-39.9177.5-66.4172.1000111.8I227 E232 A233 R238 Q239 F260I227-L236 HydrophobicContact CD1-CD1 3.81Å; I227-L236 HydrophobicContact CG1-CD1 3.89Å; E232-L236 PolarHBondContact O-N 2.88Å; A233-L236 PolarHBondContact O-N 2.83Å; L236-R238 PolarHBondContact O-N 3.35Å; L236-R238 VanDerWaalsContact O-N 3.11Å; L236-Q239 PolarHBondContact O-N 2.96Å; L236-F260 HydrophobicContact CB-CD1 4.36Å; L236-F260 HydrophobicContact CB-CE1 3.64Å; L236-F260 HydrophobicContact CD1-CE1 4.09Å
237L86.5Confident77.2Confident0 Ų073.6 Ų73.60%037%0.374CS..Hα-helixtrans-62.1-19.3178-74.8170.7000113.7V207 M209 A233 Q239 Y240 R241 V256 F260 L261V207-L237 HydrophobicContact CG1-CD1 4.08Å; M209-L237 HydrophobicContact CE-CB 4.12Å; M209-L237 HydrophobicContact SD-CB 3.58Å; M209-L237 VanDerWaalsContact SD-CB 3.58Å; A233-L237 WeakPolarHBondContact O-CB 3.29Å; A233-L237 WeakPolarHBondContact O-CG 2.95Å; A233-L237 PolarHBondContact O-N 2.97Å; L237-Q239 PolarHBondContact O-N 3.01Å; L237-Y240 PolarHBondContact O-N 3.24Å; L237-R241 PolarHBondContact O-N 3.09Å; L237-V256 HydrophobicContact CD2-CG1 3.29Å; L237-F260 HydrophobicContact CD1-CB 3.96Å; L237-F260 HydrophobicContact CD1-CD1 4.46Å; L237-F260 HydrophobicContact CD1-CG 4.34Å; L237-F260 HydrophobicContact CD2-CB 3.93Å; L237-F260 HydrophobicContact CD2-CD1 3.93Å; L237-F260 HydrophobicContact CD2-CD2 3.81Å; L237-F260 HydrophobicContact CD2-CE1 4.42Å; L237-F260 HydrophobicContact CD2-CE2 4.29Å; L237-F260 HydrophobicContact CD2-CG 3.6Å; L237-F260 HydrophobicContact CG-CB 4.07Å; L237-F260 HydrophobicContact CG-CD1 3.79Å; L237-F260 HydrophobicContact CG-CE1 4.4Å; L237-F260 HydrophobicContact CG-CG 3.88Å; L237-L261 HydrophobicContact CD1-CD1 4.22Å
238R83.3Confident76.6Confident163 Ų16378.3 Ų78.362%0.61541%0.406SS*.G310 helixtrans-58.4-29.7175.3-72.1174.3-178.2176.51113.1A234 T235 L236 Y240 R241A234-R238 WeakPolarHBondContact O-CG 3.34Å; T235-R238 WeakPolarHBondContact O-CB 3.1Å; T235-R238 PolarHBondContact O-N 2.93Å; L236-R238 PolarHBondContact O-N 3.35Å; L236-R238 VanDerWaalsContact O-N 3.11Å; R238-Y240 PolarHBondContact O-N 3.29Å; R238-R241 VanDerWaalsContact O-CB 3.26Å; R238-R241 WeakPolarHBondContact O-CB 3.31Å; R238-R241 PolarHBondContact O-N 2.77Å
239Q78.4Confident76.7Confident148 Ų14875.6 Ų75.669%0.69238%0.383SS*.G310 helixtrans-61.2-33176.5176.9174.7-11.300111.9L236 L237L236-Q239 PolarHBondContact O-N 2.96Å; L237-Q239 PolarHBondContact O-N 3.01Å
240Y78.1Confident76.8Confident38 Ų3878 Ų7815%0.14939%0.393CS..G310 helixtrans-88.8-7.2-178.3-62.2-83.1000113.1L237 R238 V242 L243 M244 V256 F260 F298L237-Y240 PolarHBondContact O-N 3.24Å; R238-Y240 PolarHBondContact O-N 3.29Å; Y240-V242 VanDerWaalsContact C-N 3.31Å; Y240-V242 PolarHBondContact O-N 2.74Å; Y240-L243 HydrophobicContact CD1-CD1 4.19Å; Y240-L243 WeakPolarHBondContact O-CB 3.32Å; Y240-L243 PolarHBondContact O-N 3.31Å; Y240-M244 VanDerWaalsContact O-CG 3.31Å; Y240-M244 WeakPolarHBondContact O-CG 3.34Å; Y240-M244 PolarHBondContact O-N 2.94Å; Y240-V256 HydrophobicContact CD2-CG1 4.34Å; Y240-V256 HydrophobicContact CG-CG1 4.34Å; Y240-F260 HydrophobicContact CE2-CZ 4.37Å; Y240-F298 HydrophobicContact CE1-CZ 4.44Å
241R76.4Confident76.9Confident142 Ų14278.8 Ų78.854%0.53640%0.398SS..Hα-helixtrans-52.3-46.1-174.9-175.6-180-179.2149.49.1113.3L237 R238 L243 M244 E245L237-R241 PolarHBondContact O-N 3.09Å; R238-R241 VanDerWaalsContact O-CB 3.26Å; R238-R241 WeakPolarHBondContact O-CB 3.31Å; R238-R241 PolarHBondContact O-N 2.77Å; R241-L243 VanDerWaalsContact C-N 3.31Å; R241-L243 PolarHBondContact O-N 2.85Å; R241-M244 PolarHBondContact O-N 3.48Å; R241-E245 IonicContact CZ-OE1 3.84Å; R241-E245 IonicContact NE-OE1 3Å; R241-E245 PolarHBondContact NE-OE1 2.79Å; R241-E245 IonicContact NH2-OE1 3.78Å; R241-E245 WeakPolarHBondContact O-CG 3.41Å; R241-E245 PolarHBondContact O-N 2.82Å; R241-E245 VanDerWaalsContact O-N 3.11Å
242V72.8Confident77.1Confident109 Ų10969.9 Ų69.966%0.66137%0.365SS*.Hα-helixtrans-64.2-38-178.2-179.90000111.5Y240 M244Y240-V242 VanDerWaalsContact C-N 3.31Å; Y240-V242 PolarHBondContact O-N 2.74Å; V242-M244 VanDerWaalsContact C-N 3.32Å
243L70.6Confident77.4Confident22 Ų2269.8 Ų69.812%0.11536%0.361CS..Hα-helixtrans-68.9-34.4177.8-62.8171.9000111.2Y240 R241 F249 L252 L289 F294Y240-L243 HydrophobicContact CD1-CD1 4.19Å; Y240-L243 WeakPolarHBondContact O-CB 3.32Å; Y240-L243 PolarHBondContact O-N 3.31Å; R241-L243 VanDerWaalsContact C-N 3.31Å; R241-L243 PolarHBondContact O-N 2.85Å; L243-F249 WeakPolarHBondContact O-CB 3.29Å; L243-F249 WeakPolarHBondContact O-CD2 3.34Å; L243-F249 WeakPolarHBondContact O-CG 3.34Å; L243-L252 HydrophobicContact CB-CD2 4.38Å; L243-L289 HydrophobicContact CD1-CD2 3.95Å; L243-L289 HydrophobicContact CD2-CD2 3.78Å; L243-L289 HydrophobicContact CG-CD2 4.42Å; L243-F294 HydrophobicContact CD2-CD2 4.31Å; L243-F294 HydrophobicContact CD2-CE2 4.47Å
244M65.6Low77.6Confident29 Ų2972.8 Ų72.814%0.14337%0.374CS..Hα-helixtrans-83.9-16.1-176.6-58.7-144.4-6600114.7M209 Y240 R241 V242 L246 R253M209-M244 HydrophobicContact CB-CE 4.17Å; M209-M244 HydrophobicContact CG-CE 4.01Å; M209-M244 HydrophobicContact SD-CE 3.68Å; Y240-M244 VanDerWaalsContact O-CG 3.31Å; Y240-M244 WeakPolarHBondContact O-CG 3.34Å; Y240-M244 PolarHBondContact O-N 2.94Å; R241-M244 PolarHBondContact O-N 3.48Å; V242-M244 VanDerWaalsContact C-N 3.32Å; M244-L246 VanDerWaalsContact C-N 3.25Å; M244-L246 PolarHBondContact O-N 3.09Å; M244-R253 HydrophobicContact CE-CG 4.14Å; M244-R253 WeakPolarHBondContact SD-CA 3.39Å; M244-R253 HydrophobicContact SD-CB 3.53Å; M244-R253 VanDerWaalsContact SD-CB 3.53Å; M244-R253 HydrophobicContact SD-CG 3.57Å; M244-R253 VanDerWaalsContact SD-CG 3.57Å
245E65.2Low77.8Confident134 Ų13471.7 Ų71.763%0.62637%0.365SS*.THydrogen-bonded Turntrans-78.7-7.6175-76.2178.1-174.300112.9R241R241-E245 IonicContact CZ-OE1 3.84Å; R241-E245 IonicContact NE-OE1 3Å; R241-E245 PolarHBondContact NE-OE1 2.79Å; R241-E245 IonicContact NH2-OE1 3.78Å; R241-E245 WeakPolarHBondContact O-CG 3.41Å; R241-E245 PolarHBondContact O-N 2.82Å; R241-E245 VanDerWaalsContact O-N 3.11Å
246L69.4Low78.3Confident76 Ų7668.1 Ų68.140%0.39834%0.343SS..SBendtrans-84.9127.9173.6-66.4173.1000110.3M244 C248 F249 F292M244-L246 VanDerWaalsContact C-N 3.25Å; M244-L246 PolarHBondContact O-N 3.09Å; L246-C248 PolarHBondContact O-N 3.4Å; L246-F249 HydrophobicContact CB-CD2 3.57Å; L246-F249 HydrophobicContact CB-CE2 3.92Å; L246-F249 HydrophobicContact CD1-CD2 4.26Å; L246-F249 HydrophobicContact CD1-CE2 3.8Å; L246-F249 PolarHBondContact O-N 2.95Å; L246-F249 VanDerWaalsContact O-N 3.1Å; L246-F292 HydrophobicContact CD1-CE2 4.16Å; L246-F292 HydrophobicContact CD1-CZ 4.27Å
247A56Low78.6Confident111 Ų11164.4 Ų64.492%0.91732%0.323SS*.THydrogen-bonded Turntrans-58.5-10.3-174.900000115.6
248C63.9Low78.9Confident101 Ų10164.4 Ų64.468%0.68232%0.323SS*.THydrogen-bonded Turntrans-90.22.3178.2-64.40000114.7L246L246-C248 PolarHBondContact O-N 3.4Å
249F76.1Confident79.3Confident6 Ų657.3 Ų57.33%0.02630%0.298CS..  trans-117.527.9-167.9-72.5-89.7000115.3L243 L246 L252 R253 C285 A288 L289L243-F249 WeakPolarHBondContact O-CB 3.29Å; L243-F249 WeakPolarHBondContact O-CD2 3.34Å; L243-F249 WeakPolarHBondContact O-CG 3.34Å; L246-F249 HydrophobicContact CB-CD2 3.57Å; L246-F249 HydrophobicContact CB-CE2 3.92Å; L246-F249 HydrophobicContact CD1-CD2 4.26Å; L246-F249 HydrophobicContact CD1-CE2 3.8Å; L246-F249 PolarHBondContact O-N 2.95Å; L246-F249 VanDerWaalsContact O-N 3.1Å; F249-L252 HydrophobicContact CB-CB 4.3Å; F249-L252 HydrophobicContact CD1-CB 3.94Å; F249-L252 HydrophobicContact CD1-CD2 3.5Å; F249-L252 HydrophobicContact CD1-CG 4.37Å; F249-L252 HydrophobicContact CE1-CD2 4.02Å; F249-L252 HydrophobicContact CG-CD2 4.45Å; F249-L252 PolarHBondContact O-N 3.01Å; F249-R253 PolarHBondContact O-N 3.19Å; F249-C285 HydrophobicContact CD1-CB 4.03Å; F249-C285 HydrophobicContact CE1-CB 3.86Å; F249-A288 HydrophobicContact CE1-CB 4.24Å; F249-A288 HydrophobicContact CE2-CB 4.34Å; F249-A288 HydrophobicContact CZ-CB 3.6Å; F249-L289 HydrophobicContact CE1-CD2 4.07Å; F249-L289 HydrophobicContact CE1-CG 4.27Å
250E82.1Confident79.9Confident103 Ų10351.1 Ų51.148%0.48127%0.268SS..Hα-helixtrans-58.3-43.2171.7-162.6-158.5158.700113.2L252 R253 K254E250-L252 PolarHBondContact O-N 3.42Å; E250-R253 PolarHBondContact O-N 3.47Å; E250-K254 PolarHBondContact O-N 2.55Å; E250-K254 WeakPolarHBondContact OE1-CE 3.49Å; E250-K254 IonicContact OE1-NZ 2.8Å; E250-K254 PolarHBondContact OE1-NZ 2.82Å
251P87.4Confident80.6Confident25 Ų2549.3 Ų49.316%0.16226%0.261CS..Hα-helixtrans-63.5-40.6177.7-22.434.6000112.8R253 K254 L255 A281 Q284P251-R253 VanDerWaalsContact C-N 3.34Å; P251-K254 PolarHBondContact O-N 3.42Å; P251-L255 PolarHBondContact O-N 3.03Å; P251-L255 VanDerWaalsContact O-N 3.1Å; P251-A281 HydrophobicContact CB-CB 4.01Å; P251-Q284 HydrophobicContact CG-CB 4.43Å
252L86.4Confident81.3Confident3 Ų342.5 Ų42.52%0.01624%0.236CC..Hα-helixtrans-64.3-41176.1-177.563.4000111L243 F249 E250 K254 L255 V256 W296 F298L243-L252 HydrophobicContact CB-CD2 4.38Å; F249-L252 HydrophobicContact CB-CB 4.3Å; F249-L252 HydrophobicContact CD1-CB 3.94Å; F249-L252 HydrophobicContact CD1-CD2 3.5Å; F249-L252 HydrophobicContact CD1-CG 4.37Å; F249-L252 HydrophobicContact CE1-CD2 4.02Å; F249-L252 HydrophobicContact CG-CD2 4.45Å; F249-L252 PolarHBondContact O-N 3.01Å; E250-L252 PolarHBondContact O-N 3.42Å; L252-K254 PolarHBondContact O-N 3.36Å; L252-L255 PolarHBondContact O-N 2.92Å; L252-V256 HydrophobicContact CD1-CG2 3.85Å; L252-V256 HydrophobicContact CG-CG2 4.11Å; L252-V256 WeakPolarHBondContact O-CB 3.41Å; L252-V256 VanDerWaalsContact O-CG2 3.25Å; L252-V256 WeakPolarHBondContact O-CG2 3.32Å; L252-V256 PolarHBondContact O-N 3.26Å; L252-W296 HydrophobicContact CD1-CH2 3.92Å; L252-W296 HydrophobicContact CD1-CZ3 3.8Å; L252-F298 HydrophobicContact CD1-CE2 4.12Å
253R88.4Confident82.2Confident78 Ų7839.7 Ų39.729%0.29422%0.215SC..Hα-helixtrans-59.1-47175.8-177.6-176.273.9162.16.1112M244 F249 E250 P251 L255 V256 C257M244-R253 HydrophobicContact CE-CG 4.14Å; M244-R253 WeakPolarHBondContact SD-CA 3.39Å; M244-R253 HydrophobicContact SD-CB 3.53Å; M244-R253 VanDerWaalsContact SD-CB 3.53Å; M244-R253 HydrophobicContact SD-CG 3.57Å; M244-R253 VanDerWaalsContact SD-CG 3.57Å; F249-R253 PolarHBondContact O-N 3.19Å; E250-R253 PolarHBondContact O-N 3.47Å; P251-R253 VanDerWaalsContact C-N 3.34Å; R253-L255 VanDerWaalsContact C-N 3.35Å; R253-L255 PolarHBondContact O-N 2.49Å; R253-V256 PolarHBondContact O-N 2.99Å; R253-C257 WeakPolarHBondContact O-CB 3.27Å; R253-C257 PolarHBondContact O-N 2.84Å; R253-C257 PolarHBondContact O-SG 2.82Å; R253-C257 VanDerWaalsContact O-SG 3.32Å
254K90.3Very high83Confident64 Ų6439.1 Ų39.128%0.27821%0.213SC..Hα-helixtrans-59.5-45.7178.4-74.7171.3172.4171.10111.7L213 E250 P251 L252 G258 P315L213-K254 HydrophobicContact CD2-CG 4.38Å; E250-K254 PolarHBondContact O-N 2.55Å; E250-K254 WeakPolarHBondContact OE1-CE 3.49Å; E250-K254 IonicContact OE1-NZ 2.8Å; E250-K254 PolarHBondContact OE1-NZ 2.82Å; P251-K254 PolarHBondContact O-N 3.42Å; L252-K254 PolarHBondContact O-N 3.36Å; K254-G258 PolarHBondContact O-N 2.83Å; K254-P315 HydrophobicContact CB-CB 4.27Å; K254-P315 VanDerWaalsContact CD-O 3.23Å; K254-P315 WeakPolarHBondContact CD-O 3.33Å; K254-P315 WeakPolarHBondContact CG-O 3.35Å; K254-P315 WeakPolarHBondContact O-CB 3.44Å
255L91.1Very high83.7Confident0 Ų038.1 Ų38.10%021%0.209CC..Hα-helixtrans-61.9-55.5177177.463.9000111.7P251 L252 R253 C257 G258 M259 P273 V277 C278 A281 W296 F298 L303P251-L255 PolarHBondContact O-N 3.03Å; P251-L255 VanDerWaalsContact O-N 3.1Å; L252-L255 PolarHBondContact O-N 2.92Å; R253-L255 VanDerWaalsContact C-N 3.35Å; R253-L255 PolarHBondContact O-N 2.49Å; L255-C257 PolarHBondContact O-N 2.95Å; L255-G258 PolarHBondContact O-N 2.9Å; L255-M259 HydrophobicContact CD1-CG 4.18Å; L255-M259 HydrophobicContact CD1-SD 4.02Å; L255-M259 HydrophobicContact CG-SD 4.15Å; L255-M259 WeakPolarHBondContact O-CG 3.03Å; L255-M259 PolarHBondContact O-N 2.72Å; L255-P273 HydrophobicContact CD1-CB 4.3Å; L255-V277 HydrophobicContact CB-CG1 4.43Å; L255-V277 HydrophobicContact CD1-CG1 4.47Å; L255-C278 HydrophobicContact CD1-CB 3.67Å; L255-C278 HydrophobicContact CD2-CB 4.18Å; L255-A281 HydrophobicContact CB-CB 4.18Å; L255-A281 HydrophobicContact CD2-CB 4.04Å; L255-W296 HydrophobicContact CD2-CH2 3.69Å; L255-W296 HydrophobicContact CD2-CZ2 3.55Å; L255-F298 HydrophobicContact CD2-CD2 3.68Å; L255-F298 HydrophobicContact CD2-CE2 4.18Å; L255-F298 HydrophobicContact CD2-CG 4.25Å; L255-L303 HydrophobicContact CD1-CD1 4.3Å
256V90.9Very high83.7Confident0 Ų037.7 Ų37.70%022%0.218CC..Hα-helixtrans-62.2-47.5-175.1171.40000110.6L237 Y240 L252 R253 G258 M259 F260 F298L237-V256 HydrophobicContact CD2-CG1 3.29Å; Y240-V256 HydrophobicContact CD2-CG1 4.34Å; Y240-V256 HydrophobicContact CG-CG1 4.34Å; L252-V256 HydrophobicContact CD1-CG2 3.85Å; L252-V256 HydrophobicContact CG-CG2 4.11Å; L252-V256 WeakPolarHBondContact O-CB 3.41Å; L252-V256 VanDerWaalsContact O-CG2 3.25Å; L252-V256 WeakPolarHBondContact O-CG2 3.32Å; L252-V256 PolarHBondContact O-N 3.26Å; R253-V256 PolarHBondContact O-N 2.99Å; V256-G258 VanDerWaalsContact C-N 3.33Å; V256-G258 PolarHBondContact O-N 2.8Å; V256-M259 PolarHBondContact O-N 2.8Å; V256-F260 HydrophobicContact CG1-CD2 4.14Å; V256-F260 HydrophobicContact CG1-CE2 4.32Å; V256-F260 VanDerWaalsContact O-CD2 3.26Å; V256-F260 WeakPolarHBondContact O-CD2 3.15Å; V256-F260 PolarHBondContact O-N 3.47Å; V256-F298 HydrophobicContact CG2-CE2 3.8Å; V256-F298 HydrophobicContact CG2-CZ 3.75Å
257C92.5Very high83.3Confident0 Ų041.3 Ų41.30%023%0.232CC..Hα-helixtrans-63-40.3176.4-70.80000111.9C210 L213 R253 L255 M259 F260 L261C210-C257 WeakPolarHBondContact CA-SG 3.46Å; C210-C257 HydrophobicContact CB-CB 3.58Å; C210-C257 WeakPolarHBondContact CB-SG 3.34Å; C210-C257 VanDerWaalsContact SG-CA 3.56Å; C210-C257 WeakPolarHBondContact SG-CB 3.37Å; C210-C257 CovalentContact SG-SG 2.03Å; C210-C257 PolarHBondContact SG-SG 3.27Å; L213-C257 HydrophobicContact CD1-CB 3.87Å; L213-C257 HydrophobicContact CD2-CB 4.12Å; R253-C257 WeakPolarHBondContact O-CB 3.27Å; R253-C257 PolarHBondContact O-N 2.84Å; R253-C257 PolarHBondContact O-SG 2.82Å; R253-C257 VanDerWaalsContact O-SG 3.32Å; L255-C257 PolarHBondContact O-N 2.95Å; C257-M259 VanDerWaalsContact C-N 3.32Å; C257-M259 PolarHBondContact O-N 2.7Å; C257-F260 PolarHBondContact O-N 2.84Å; C257-L261 WeakPolarHBondContact O-CA 3.42Å; C257-L261 WeakPolarHBondContact O-CB 3.38Å; C257-L261 PolarHBondContact O-N 2.8Å
258G92.1Very high83.6Confident0 Ų037.9 Ų37.90%021%0.208CC..Hα-helixtrans-66-30.9176.300000114.5Y215 K254 L255 V256 P262 P273Y215-G258 WeakPolarHBondContact OH-CA 3.22Å; K254-G258 PolarHBondContact O-N 2.83Å; L255-G258 PolarHBondContact O-N 2.9Å; V256-G258 VanDerWaalsContact C-N 3.33Å; V256-G258 PolarHBondContact O-N 2.8Å; G258-P262 VanDerWaalsContact O-CA 3.25Å; G258-P262 WeakPolarHBondContact O-CA 3.46Å; G258-P273 WeakPolarHBondContact O-CD 3.26Å
259M91.1Very high83.9Confident15 Ų1533.3 Ų33.37%0.07418%0.178CC..Hα-helixtrans-75.6-38.6175-71.7-17769.400112.3N222 L255 V256 C257 P273 F298N222-M259 PolarHBondContact ND2-O 2.03Å; L255-M259 HydrophobicContact CD1-CG 4.18Å; L255-M259 HydrophobicContact CD1-SD 4.02Å; L255-M259 HydrophobicContact CG-SD 4.15Å; L255-M259 WeakPolarHBondContact O-CG 3.03Å; L255-M259 PolarHBondContact O-N 2.72Å; V256-M259 PolarHBondContact O-N 2.8Å; C257-M259 VanDerWaalsContact C-N 3.32Å; C257-M259 PolarHBondContact O-N 2.7Å; M259-P273 HydrophobicContact CG-CG 4Å; M259-F298 HydrophobicContact CE-CD1 3.72Å; M259-F298 HydrophobicContact CE-CE1 4.03Å; M259-F298 HydrophobicContact SD-CD1 3.56Å; M259-F298 VanDerWaalsContact SD-CD1 3.56Å; M259-F298 HydrophobicContact SD-CE1 3.76Å; M259-F298 HydrophobicContact SD-CG 4.1Å; M259-F298 HydrophobicContact SD-CZ 4.45Å
260F92.3Very high84.1Confident17 Ų1735 Ų358%0.07519%0.189CC..Hα-helixtrans-84.8-33.3-176.5-81.9-106.5000113F220 N222 L225 I227 L236 L237 Y240 V256 C257F220-F260 VanDerWaalsContact CZ-O 3.24Å; F220-F260 WeakPolarHBondContact CZ-O 3.2Å; N222-F260 PolarHBondContact ND2-O 2.79Å; L225-F260 HydrophobicContact CD1-CD1 4.13Å; L225-F260 HydrophobicContact CD1-CD2 3.74Å; L225-F260 HydrophobicContact CD1-CE1 4.15Å; L225-F260 HydrophobicContact CD1-CE2 3.8Å; L225-F260 HydrophobicContact CD1-CG 3.93Å; L225-F260 HydrophobicContact CD1-CZ 4.01Å; I227-F260 HydrophobicContact CD1-CD1 3.52Å; I227-F260 HydrophobicContact CD1-CE1 3.79Å; I227-F260 HydrophobicContact CD1-CG 4.38Å; L236-F260 HydrophobicContact CB-CD1 4.36Å; L236-F260 HydrophobicContact CB-CE1 3.64Å; L236-F260 HydrophobicContact CD1-CE1 4.09Å; L237-F260 HydrophobicContact CD1-CB 3.96Å; L237-F260 HydrophobicContact CD1-CD1 4.46Å; L237-F260 HydrophobicContact CD1-CG 4.34Å; L237-F260 HydrophobicContact CD2-CB 3.93Å; L237-F260 HydrophobicContact CD2-CD1 3.93Å; L237-F260 HydrophobicContact CD2-CD2 3.81Å; L237-F260 HydrophobicContact CD2-CE1 4.42Å; L237-F260 HydrophobicContact CD2-CE2 4.29Å; L237-F260 HydrophobicContact CD2-CG 3.6Å; L237-F260 HydrophobicContact CG-CB 4.07Å; L237-F260 HydrophobicContact CG-CD1 3.79Å; L237-F260 HydrophobicContact CG-CE1 4.4Å; L237-F260 HydrophobicContact CG-CG 3.88Å; Y240-F260 HydrophobicContact CE2-CZ 4.37Å; V256-F260 HydrophobicContact CG1-CD2 4.14Å; V256-F260 HydrophobicContact CG1-CE2 4.32Å; V256-F260 VanDerWaalsContact O-CD2 3.26Å; V256-F260 WeakPolarHBondContact O-CD2 3.15Å; V256-F260 PolarHBondContact O-N 3.47Å; C257-F260 PolarHBondContact O-N 2.84Å
261L92.4Very high84.3Confident0 Ų030.7 Ų30.70%017%0.169CC..SBendtrans-126.863.7-177.4-61.8154.1000109.3I205 V207 C210 Y215 T218 F220 Q230 A233 L237 C257I205-L261 HydrophobicContact CG2-CD1 4.04Å; V207-L261 HydrophobicContact CB-CD1 3.77Å; V207-L261 HydrophobicContact CG1-CD1 4.25Å; V207-L261 HydrophobicContact CG2-CD1 3.87Å; V207-L261 HydrophobicContact CG2-CD2 3.8Å; V207-L261 HydrophobicContact CG2-CG 4.44Å; C210-L261 HydrophobicContact CB-CD1 3.34Å; C210-L261 VanDerWaalsContact SG-CD1 3.58Å; Y215-L261 WeakPolarHBondContact CE2-O 2.94Å; Y215-L261 PolarHBondContact OH-O 3.33Å; T218-L261 HydrophobicContact CG2-CD2 4.27Å; T218-L261 PolarHBondContact OG1-O 3.09Å; F220-L261 HydrophobicContact CE2-CD2 3.73Å; F220-L261 HydrophobicContact CZ-CD2 3.79Å; Q230-L261 HydrophobicContact CB-CD2 4.36Å; Q230-L261 HydrophobicContact CG-CD2 3.84Å; A233-L261 HydrophobicContact CB-CD2 4.32Å; L237-L261 HydrophobicContact CD1-CD1 4.22Å; C257-L261 WeakPolarHBondContact O-CA 3.42Å; C257-L261 WeakPolarHBondContact O-CB 3.38Å; C257-L261 PolarHBondContact O-N 2.8Å
262P91.3Very high84.4Confident0 Ų030.9 Ų30.90%017%0.168CC..PPolyproline II helixtrans-61.3152-171.729.3-37.6000112T218 G258 C264 V270T218-P262 VanDerWaalsContact CA-O 3.3Å; T218-P262 WeakPolarHBondContact CA-O 2.96Å; T218-P262 WeakPolarHBondContact CB-O 3.01Å; T218-P262 PolarHBondContact OG1-O 3.41Å; G258-P262 VanDerWaalsContact O-CA 3.25Å; G258-P262 WeakPolarHBondContact O-CA 3.46Å; P262-C264 PolarHBondContact O-N 2.75Å; P262-V270 HydrophobicContact CB-CB 3.95Å; P262-V270 HydrophobicContact CB-CG1 4.48Å; P262-V270 HydrophobicContact CG-CB 3.72Å; P262-V270 HydrophobicContact CG-CG1 3.83Å; P262-V270 HydrophobicContact CG-CG2 4.2Å
263Q90.5Very high84.6Confident50 Ų5030.7 Ų30.723%0.23417%0.167CC..EExtended strand (participates in β ladder)trans-65.8134.8-176.6177.3177.8-3.400110.7Y215 S265 V270 L271Y215-Q263 HydrophobicContact CD1-CB 3.83Å; Y215-Q263 HydrophobicContact CD1-CG 4Å; Y215-Q263 HydrophobicContact CD2-CB 3.81Å; Y215-Q263 HydrophobicContact CD2-CG 3.96Å; Y215-Q263 HydrophobicContact CE1-CB 3.84Å; Y215-Q263 HydrophobicContact CE2-CB 3.81Å; Y215-Q263 HydrophobicContact CE2-CG 4.47Å; Y215-Q263 HydrophobicContact CG-CB 3.82Å; Y215-Q263 HydrophobicContact CG-CG 3.7Å; Q263-S265 PolarHBondContact O-N 3.41Å; Q263-V270 CarbonylContact O-C 3.6Å; Q263-V270 WeakPolarHBondContact O-CA 3.43Å; Q263-L271 HydrophobicContact CB-CB 4.24Å; Q263-L271 PolarHBondContact N-O 3.21Å; Q263-L271 PolarHBondContact O-N 3.03Å
264C87.6Confident84.8Confident10 Ų1027 Ų277%0.06815%0.153CC..EExtended strand (participates in β ladder)trans-69.7129.7173.7-166.60000111.3C202 F217 P262C202-C264 WeakPolarHBondContact CA-SG 3.48Å; C202-C264 HydrophobicContact CB-CB 3.67Å; C202-C264 WeakPolarHBondContact CB-SG 3.34Å; C202-C264 WeakPolarHBondContact SG-CB 3.36Å; C202-C264 CovalentContact SG-SG 2.03Å; C202-C264 PolarHBondContact SG-SG 3.35Å; F217-C264 HydrophobicContact CB-CB 4.22Å; F217-C264 PolarHBondContact O-N 2.85Å; P262-C264 PolarHBondContact O-N 2.75Å
265S80.1Confident84.9Confident8 Ų826.6 Ų26.66%0.05615%0.15CC..PPolyproline II helixtrans-82.1139.4176.4177.40000111.7Q263 Q267 G268 G269Q263-S265 PolarHBondContact O-N 3.41Å; S265-Q267 PolarHBondContact O-N 3.45Å; S265-Q267 VanDerWaalsContact O-N 3.17Å; S265-Q267 PolarHBondContact OG-N 3.49Å; S265-G268 WeakPolarHBondContact CB-O 3.1Å; S265-G268 PolarHBondContact O-N 2.68Å; S265-G269 PolarHBondContact N-O 2.82Å
266P65.9Low85Confident125 Ų12529.4 Ų29.481%0.81217%0.169SC*.THydrogen-bonded Turntrans-62.6-18.1172.6-19.130.7000114.4
267Q61.4Low85Confident151 Ų15130.5 Ų30.571%0.70618%0.176SC*.THydrogen-bonded Turntrans-99.93-175.7-66.5153.81800112.6S265S265-Q267 PolarHBondContact O-N 3.45Å; S265-Q267 VanDerWaalsContact O-N 3.17Å; S265-Q267 PolarHBondContact OG-N 3.49Å
268G61.6Low85Confident39 Ų3930.5 Ų30.540%0.40218%0.176SC..SBendtrans99.4140.1-169.900000111.4S265S265-G268 WeakPolarHBondContact CB-O 3.1Å; S265-G268 PolarHBondContact O-N 2.68Å
269G69.8Low84.9Confident6 Ų632.4 Ų32.46%0.06219%0.19CC..SBendtrans93.3-167.7176.800000116.4W178 S265W178-G269 VanDerWaalsContact CH2-CA 3.44Å; S265-G269 PolarHBondContact N-O 2.82Å
270V81.3Confident84.9Confident41 Ų4134 Ų3425%0.24820%0.202CC..EExtended strand (participates in β ladder)trans-121139.4-173.7-680000111.6S219 P262 Q263S219-V270 VanDerWaalsContact O-CG1 3.23Å; S219-V270 WeakPolarHBondContact O-CG1 3.48Å; P262-V270 HydrophobicContact CB-CB 3.95Å; P262-V270 HydrophobicContact CB-CG1 4.48Å; P262-V270 HydrophobicContact CG-CB 3.72Å; P262-V270 HydrophobicContact CG-CG1 3.83Å; P262-V270 HydrophobicContact CG-CG2 4.2Å; Q263-V270 CarbonylContact O-C 3.6Å; Q263-V270 WeakPolarHBondContact O-CA 3.43Å
271L86.3Confident84.8Confident12 Ų1233.2 Ų33.26%0.06320%0.199CC..EExtended strand (participates in β ladder)trans-101.8107.4176.6-58.9178.1000109.7Q263 P309 V310 S313Q263-L271 HydrophobicContact CB-CB 4.24Å; Q263-L271 PolarHBondContact N-O 3.21Å; Q263-L271 PolarHBondContact O-N 3.03Å; L271-P309 WeakPolarHBondContact CD1-O 3.24Å; L271-V310 WeakPolarHBondContact CD2-O 3.3Å; L271-S313 PolarHBondContact O-OG 2.75Å
272Q88.4Confident84.5Confident29 Ų2936.7 Ų36.714%0.13622%0.215CC..PPolyproline II helixtrans-65.6155.4172.7-64.5-63.4-35.500110.9L303 C312 S313Q272-L303 HydrophobicContact CB-CD2 4.44Å; Q272-C312 CarbonylContact O-C 3.53Å; Q272-C312 WeakPolarHBondContact O-CA 3.34Å; Q272-C312 WeakPolarHBondContact O-CB 3.43Å; Q272-S313 PolarHBondContact O-N 3.21Å; Q272-S313 PolarHBondContact O-OG 3.27Å
273P92.1Very high84.4Confident0 Ų044.4 Ų44.40%025%0.251CS..BIsolated β-bridgetrans-61.4143.4177.5-23.535.1000112.1L255 G258 M259 V277 S313 P315L255-P273 HydrophobicContact CD1-CB 4.3Å; G258-P273 WeakPolarHBondContact O-CD 3.26Å; M259-P273 HydrophobicContact CG-CG 4Å; P273-V277 HydrophobicContact CB-CB 4.46Å; P273-S313 WeakPolarHBondContact CA-O 3.24Å; P273-P315 HydrophobicContact CB-CG 4.5Å; P273-P315 HydrophobicContact CG-CG 4.44Å
274C92.4Very high84.2Confident1 Ų147.5 Ų47.51%0.00727%0.266CS..PPolyproline II helixtrans-64.5150.7173.6-54.30000111.3S276 V277 C278 C312 S313C274-S276 PolarHBondContact O-N 2.88Å; C274-V277 HydrophobicContact CB-CG2 4.29Å; C274-V277 WeakPolarHBondContact O-CB 3.34Å; C274-V277 PolarHBondContact O-N 2.8Å; C274-C278 PolarHBondContact O-N 2.82Å; C274-C312 VanDerWaalsContact CA-SG 3.53Å; C274-C312 HydrophobicContact CB-CB 3.91Å; C274-C312 WeakPolarHBondContact CB-SG 3.17Å; C274-C312 VanDerWaalsContact SG-C 3.53Å; C274-C312 WeakPolarHBondContact SG-CB 3.01Å; C274-C312 CovalentContact SG-SG 2.03Å; C274-C312 PolarHBondContact SG-SG 1.99Å; C274-S313 PolarHBondContact N-O 3.4Å; C274-S313 PolarHBondContact SG-O 2.6Å; C274-S313 VanDerWaalsContact SG-O 3.34Å
275R92.1Very high83.9Confident54 Ų5447.1 Ų47.120%0.20426%0.263CS..Hα-helixtrans-50.8-39.9173178.5-178.2-55.5-114.5-11.2112.7V277 C278 S279 H301 L303 P304R275-V277 VanDerWaalsContact C-N 3.27Å; R275-V277 PolarHBondContact O-N 2.84Å; R275-C278 PolarHBondContact O-N 3.34Å; R275-C278 VanDerWaalsContact O-N 3.12Å; R275-S279 PolarHBondContact O-N 3.38Å; R275-S279 PolarHBondContact O-OG 2.81Å; R275-H301 VanDerWaalsContact NH1-CA 3.3Å; R275-H301 PolarHBondContact NH1-ND1 3.08Å; R275-H301 PolarHBondContact NH2-O 3.2Å; R275-L303 HydrophobicContact CB-CB 4.32Å; R275-L303 PolarHBondContact NE-O 3.08Å; R275-L303 PolarHBondContact NH2-O 2.88Å; R275-P304 WeakPolarHBondContact CB-O 2.97Å; R275-P304 PolarHBondContact N-O 3.18Å
276S92.3Very high83.8Confident59 Ų5948.5 Ų48.541%0.41327%0.272SS..Hα-helixtrans-57.9-37.217857.60000113.1C274 S280C274-S276 PolarHBondContact O-N 2.88Å; S276-S280 WeakPolarHBondContact O-CB 3.01Å; S276-S280 PolarHBondContact O-N 2.86Å
277V92.1Very high84.5Confident23 Ų2350 Ų5014%0.13927%0.268CS..Hα-helixtrans-65.2-46.1176.2-178.80000109.8L255 P273 C274 R275 S280 A281 Q314L255-V277 HydrophobicContact CB-CG1 4.43Å; L255-V277 HydrophobicContact CD1-CG1 4.47Å; P273-V277 HydrophobicContact CB-CB 4.46Å; C274-V277 HydrophobicContact CB-CG2 4.29Å; C274-V277 WeakPolarHBondContact O-CB 3.34Å; C274-V277 PolarHBondContact O-N 2.8Å; R275-V277 VanDerWaalsContact C-N 3.27Å; R275-V277 PolarHBondContact O-N 2.84Å; V277-S280 PolarHBondContact O-N 2.96Å; V277-A281 WeakPolarHBondContact O-CB 3.37Å; V277-A281 PolarHBondContact O-N 2.82Å; V277-Q314 HydrophobicContact CG2-CB 4.47Å; V277-Q314 HydrophobicContact CG2-CG 4.24Å
278C91.6Very high85.3Confident1 Ų144 Ų441%0.00725%0.246CC..Hα-helixtrans-65.3-49.8179-175.60000112.2L255 C274 R275 S280 A281 E282 C300 L303L255-C278 HydrophobicContact CD1-CB 3.67Å; L255-C278 HydrophobicContact CD2-CB 4.18Å; C274-C278 PolarHBondContact O-N 2.82Å; R275-C278 PolarHBondContact O-N 3.34Å; R275-C278 VanDerWaalsContact O-N 3.12Å; C278-S280 VanDerWaalsContact C-N 3.28Å; C278-S280 PolarHBondContact O-N 3.41Å; C278-A281 PolarHBondContact O-N 3.18Å; C278-A281 VanDerWaalsContact O-N 3.15Å; C278-E282 WeakPolarHBondContact O-CB 3.48Å; C278-E282 PolarHBondContact O-N 2.76Å; C278-C300 HydrophobicContact CB-CB 3.65Å; C278-C300 WeakPolarHBondContact CB-SG 3.32Å; C278-C300 WeakPolarHBondContact SG-CA 3.27Å; C278-C300 WeakPolarHBondContact SG-CB 3.39Å; C278-C300 CovalentContact SG-SG 2.04Å; C278-C300 PolarHBondContact SG-SG 3.47Å; C278-L303 HydrophobicContact CB-CD1 3.44Å; C278-L303 VanDerWaalsContact CB-CD1 3.44Å
279S90.9Very high85.9Confident40 Ų4042.4 Ų42.428%0.2823%0.228SC..Hα-helixtrans-62.8-36179-60.80000112.3R275 E282 Q283R275-S279 PolarHBondContact O-N 3.38Å; R275-S279 PolarHBondContact O-OG 2.81Å; S279-E282 PolarHBondContact O-N 3.43Å; S279-Q283 WeakPolarHBondContact O-CB 3.47Å; S279-Q283 WeakPolarHBondContact O-CG 3.44Å; S279-Q283 PolarHBondContact O-N 2.78Å
280S90.3Very high86.1Confident49 Ų4947.1 Ų47.134%0.34325%0.251SS..Hα-helixtrans-66.9-40.3175.2-173.40000112.1S276 V277 C278 Q284S276-S280 WeakPolarHBondContact O-CB 3.01Å; S276-S280 PolarHBondContact O-N 2.86Å; V277-S280 PolarHBondContact O-N 2.96Å; C278-S280 VanDerWaalsContact C-N 3.28Å; C278-S280 PolarHBondContact O-N 3.41Å; S280-Q284 WeakPolarHBondContact O-CG 3.4Å; S280-Q284 PolarHBondContact O-N 3.46Å; S280-Q284 PolarHBondContact O-NE2 3.26Å; S280-Q284 VanDerWaalsContact O-NE2 3.13Å; S280-Q284 PolarHBondContact OG-NE2 2.97Å
281A89.4Confident85.8Confident0 Ų051.9 Ų51.90%027%0.274CS..Hα-helixtrans-68.5-40.5175.600000111.5P251 L255 V277 C278 Q284 C285 W296P251-A281 HydrophobicContact CB-CB 4.01Å; L255-A281 HydrophobicContact CB-CB 4.18Å; L255-A281 HydrophobicContact CD2-CB 4.04Å; V277-A281 WeakPolarHBondContact O-CB 3.37Å; V277-A281 PolarHBondContact O-N 2.82Å; C278-A281 PolarHBondContact O-N 3.18Å; C278-A281 VanDerWaalsContact O-N 3.15Å; A281-Q284 PolarHBondContact O-N 3.34Å; A281-C285 WeakPolarHBondContact O-CB 3.42Å; A281-C285 PolarHBondContact O-N 3.31Å; A281-W296 HydrophobicContact CB-CH2 3.72Å; A281-W296 HydrophobicContact CB-CZ2 4.42Å
282E87.8Confident85.1Confident72 Ų7256.7 Ų56.734%0.33630%0.295SS..Hα-helixtrans-60.1-48.6176.1-174.7176.8-165.700111.3C278 S279 Q284 C285 S286 W296C278-E282 WeakPolarHBondContact O-CB 3.48Å; C278-E282 PolarHBondContact O-N 2.76Å; S279-E282 PolarHBondContact O-N 3.43Å; E282-Q284 VanDerWaalsContact C-N 3.27Å; E282-Q284 PolarHBondContact O-N 3.28Å; E282-C285 PolarHBondContact O-N 2.88Å; E282-S286 WeakPolarHBondContact O-CB 3.42Å; E282-S286 PolarHBondContact O-N 2.91Å; E282-S286 PolarHBondContact O-OG 3.15Å; E282-W296 HydrophobicContact CB-CD2 4.08Å; E282-W296 HydrophobicContact CB-CE3 4.47Å; E282-W296 HydrophobicContact CB-CH2 4.14Å; E282-W296 HydrophobicContact CB-CZ2 3.65Å; E282-W296 HydrophobicContact CG-CD2 3.92Å; E282-W296 HydrophobicContact CG-CG 4.04Å; E282-W296 HydrophobicContact CG-CZ2 4.36Å; E282-W296 VanDerWaalsContact N-CH2 3.34Å
283Q88.4Confident84.3Confident162 Ų16260.8 Ų60.876%0.75733%0.327SS*.Hα-helixtrans-61.3-34.7178.9-76.7179.3-5.200113.2S279S279-Q283 WeakPolarHBondContact O-CB 3.47Å; S279-Q283 WeakPolarHBondContact O-CG 3.44Å; S279-Q283 PolarHBondContact O-N 2.78Å
284Q86.1Confident83.4Confident116 Ų11666.1 Ų66.154%0.54235%0.35SS..Hα-helixtrans-88.1-27.2-176.4-70.9177.673.300113.2P251 S280 A281 E282P251-Q284 HydrophobicContact CG-CB 4.43Å; S280-Q284 WeakPolarHBondContact O-CG 3.4Å; S280-Q284 PolarHBondContact O-N 3.46Å; S280-Q284 PolarHBondContact O-NE2 3.26Å; S280-Q284 VanDerWaalsContact O-NE2 3.13Å; S280-Q284 PolarHBondContact OG-NE2 2.97Å; A281-Q284 PolarHBondContact O-N 3.34Å; E282-Q284 VanDerWaalsContact C-N 3.27Å; E282-Q284 PolarHBondContact O-N 3.28Å
285C81.7Confident82.6Confident1 Ų170.7 Ų70.71%0.00738%0.382CS..Hα-helixtrans-115.4-21.6-169.3-61.30000114.3F249 A281 E282 Q287 A288 L289 W296F249-C285 HydrophobicContact CD1-CB 4.03Å; F249-C285 HydrophobicContact CE1-CB 3.86Å; A281-C285 WeakPolarHBondContact O-CB 3.42Å; A281-C285 PolarHBondContact O-N 3.31Å; E282-C285 PolarHBondContact O-N 2.88Å; C285-Q287 PolarHBondContact O-N 3.35Å; C285-A288 PolarHBondContact O-N 3.01Å; C285-L289 WeakPolarHBondContact O-CG 3.49Å; C285-L289 PolarHBondContact O-N 3.14Å; C285-W296 HydrophobicContact CB-CZ3 4.09Å
286S78.6Confident82Confident37 Ų3770.1 Ų70.126%0.25938%0.38SS..Hα-helixtrans-51.6-52.7-179.2510000112.2E282 A288 L289 D290E282-S286 WeakPolarHBondContact O-CB 3.42Å; E282-S286 PolarHBondContact O-N 2.91Å; E282-S286 PolarHBondContact O-OG 3.15Å; S286-A288 PolarHBondContact O-N 3.46Å; S286-L289 PolarHBondContact O-N 3.35Å; S286-L289 VanDerWaalsContact O-N 3.12Å; S286-D290 PolarHBondContact O-N 2.82Å
287Q79.5Confident81.2Confident156 Ų15670.7 Ų70.773%0.72938%0.382SS*.Hα-helixtrans-62.5-30.9179.9-167.4175.326.400113C285 L291C285-Q287 PolarHBondContact O-N 3.35Å; Q287-L291 WeakPolarHBondContact O-CG 3.35Å
288A77.6Confident80.8Confident27 Ų2770.7 Ų70.722%0.22338%0.381CS..Hα-helixtrans-77.1-34.9177.100000111.9F249 C285 S286 L291 F292F249-A288 HydrophobicContact CE1-CB 4.24Å; F249-A288 HydrophobicContact CE2-CB 4.34Å; F249-A288 HydrophobicContact CZ-CB 3.6Å; C285-A288 PolarHBondContact O-N 3.01Å; S286-A288 PolarHBondContact O-N 3.46Å; A288-L291 WeakPolarHBondContact O-CB 3.27Å; A288-L291 PolarHBondContact O-N 3.06Å; A288-F292 WeakPolarHBondContact O-CD2 2.97Å
289L75Confident80.4Confident5 Ų575 Ų753%0.02640%0.403CS..Hα-helixtrans-68.1-37174.4-68173.5000111.7L243 F249 C285 S286 L291 F292 S293 F294 W296L243-L289 HydrophobicContact CD1-CD2 3.95Å; L243-L289 HydrophobicContact CD2-CD2 3.78Å; L243-L289 HydrophobicContact CG-CD2 4.42Å; F249-L289 HydrophobicContact CE1-CD2 4.07Å; F249-L289 HydrophobicContact CE1-CG 4.27Å; C285-L289 WeakPolarHBondContact O-CG 3.49Å; C285-L289 PolarHBondContact O-N 3.14Å; S286-L289 PolarHBondContact O-N 3.35Å; S286-L289 VanDerWaalsContact O-N 3.12Å; L289-L291 VanDerWaalsContact C-N 3.26Å; L289-L291 PolarHBondContact O-N 2.98Å; L289-F292 CarbonylContact O-C 3.55Å; L289-F292 WeakPolarHBondContact O-CA 3.5Å; L289-F292 PolarHBondContact O-N 3.08Å; L289-S293 PolarHBondContact O-N 3.17Å; L289-S293 VanDerWaalsContact O-N 3.16Å; L289-F294 CarbonylContact C-O 3.51Å; L289-F294 VanDerWaalsContact C-O 3.24Å; L289-F294 HydrophobicContact CB-CB 4.19Å; L289-F294 WeakPolarHBondContact CB-O 3.38Å; L289-F294 HydrophobicContact CD2-CB 4.36Å; L289-F294 PolarHBondContact O-N 3.44Å; L289-W296 HydrophobicContact CD1-CE3 3.67Å; L289-W296 HydrophobicContact CD1-CZ3 4.11Å
290D74.8Confident80.2Confident104 Ų10473.3 Ų73.356%0.55639%0.392SS*.Hα-helixtrans-58.6-37.2174.2-72.7-24.2000112S286 F292 S293S286-D290 PolarHBondContact O-N 2.82Å; D290-F292 PolarHBondContact O-N 2.97Å; D290-S293 PolarHBondContact O-N 2.65Å
291L75Confident80.1Confident141 Ų14177.8 Ų77.874%0.73841%0.407SS*.Hα-helixtrans-62-25.6175.7-67.9172.9000112.9Q287 A288 L289Q287-L291 WeakPolarHBondContact O-CG 3.35Å; A288-L291 WeakPolarHBondContact O-CB 3.27Å; A288-L291 PolarHBondContact O-N 3.06Å; L289-L291 VanDerWaalsContact C-N 3.26Å; L289-L291 PolarHBondContact O-N 2.98Å
292F70.4Confident79.8Confident114 Ų11482.9 Ų82.950%0.543%0.434SS..THydrogen-bonded Turntrans-101.811.7175.8-64.1-74.3000112.7L246 A288 L289 D290 F294L246-F292 HydrophobicContact CD1-CE2 4.16Å; L246-F292 HydrophobicContact CD1-CZ 4.27Å; A288-F292 WeakPolarHBondContact O-CD2 2.97Å; L289-F292 CarbonylContact O-C 3.55Å; L289-F292 WeakPolarHBondContact O-CA 3.5Å; L289-F292 PolarHBondContact O-N 3.08Å; D290-F292 PolarHBondContact O-N 2.97Å; F292-F294 HydrophobicContact CB-CD2 3.72Å; F292-F294 HydrophobicContact CB-CE2 4.11Å; F292-F294 WeakPolarHBondContact O-CD2 3.24Å; F292-F294 PolarHBondContact O-N 3.14Å
293S73.2Confident79.7Confident114 Ų11479.9 Ų79.980%0.79742%0.42SS*.THydrogen-bonded Turntrans59.528.7-178.2-510000114.2L289 D290L289-S293 PolarHBondContact O-N 3.17Å; L289-S293 VanDerWaalsContact O-N 3.16Å; D290-S293 PolarHBondContact O-N 2.65Å
294F72Confident79.6Confident112 Ų11274.5 Ų74.549%0.49140%0.399SS..PPolyproline II helixtrans-101.5127.9170.8-70-70.1000109.7L243 L289 F292L243-F294 HydrophobicContact CD2-CD2 4.31Å; L243-F294 HydrophobicContact CD2-CE2 4.47Å; L289-F294 CarbonylContact C-O 3.51Å; L289-F294 VanDerWaalsContact C-O 3.24Å; L289-F294 HydrophobicContact CB-CB 4.19Å; L289-F294 WeakPolarHBondContact CB-O 3.38Å; L289-F294 HydrophobicContact CD2-CB 4.36Å; L289-F294 PolarHBondContact O-N 3.44Å; F292-F294 HydrophobicContact CB-CD2 3.72Å; F292-F294 HydrophobicContact CB-CE2 4.11Å; F292-F294 WeakPolarHBondContact O-CD2 3.24Å; F292-F294 PolarHBondContact O-N 3.14Å
295S75.1Confident79.6Confident98 Ų9875.3 Ų75.369%0.68541%0.407SS*.PPolyproline II helixtrans-77.4150.7169.155.20000110.6P297S295-P297 VanDerWaalsContact O-CD 3.3Å; S295-P297 WeakPolarHBondContact O-CD 3.31Å
296W80Confident79.5Confident41 Ų4176.2 Ų76.216%0.15541%0.414CS..PPolyproline II helixtrans-61.4119.4172.8-177.4-104.2000110L252 L255 A281 E282 C285 L289 F298L252-W296 HydrophobicContact CD1-CH2 3.92Å; L252-W296 HydrophobicContact CD1-CZ3 3.8Å; L255-W296 HydrophobicContact CD2-CH2 3.69Å; L255-W296 HydrophobicContact CD2-CZ2 3.55Å; A281-W296 HydrophobicContact CB-CH2 3.72Å; A281-W296 HydrophobicContact CB-CZ2 4.42Å; E282-W296 HydrophobicContact CB-CD2 4.08Å; E282-W296 HydrophobicContact CB-CE3 4.47Å; E282-W296 HydrophobicContact CB-CH2 4.14Å; E282-W296 HydrophobicContact CB-CZ2 3.65Å; E282-W296 HydrophobicContact CG-CD2 3.92Å; E282-W296 HydrophobicContact CG-CG 4.04Å; E282-W296 HydrophobicContact CG-CZ2 4.36Å; E282-W296 VanDerWaalsContact N-CH2 3.34Å; C285-W296 HydrophobicContact CB-CZ3 4.09Å; L289-W296 HydrophobicContact CD1-CE3 3.67Å; L289-W296 HydrophobicContact CD1-CZ3 4.11Å; W296-F298 HydrophobicContact CH2-CD2 4.19Å; W296-F298 HydrophobicContact CZ2-CB 4.24Å; W296-F298 AromaticContact CZ2-CD2 3.82Å; W296-F298 HydrophobicContact CZ2-CD2 3.82Å; W296-F298 PolarHBondContact NE1-O 3.21Å
297P76.1Confident79.4Confident71 Ų7183.1 Ų83.146%0.46144%0.442SS..  trans-92.5-1-168.935.3-34.9000114S295S295-P297 VanDerWaalsContact O-CD 3.3Å; S295-P297 WeakPolarHBondContact O-CD 3.31Å
298F83.4Confident79.2Confident24 Ų2479.3 Ų79.311%0.10543%0.426CS..  trans-113.3126.7-170.9-54.6-62.6000112.1Y240 L252 L255 V256 M259 W296 C300Y240-F298 HydrophobicContact CE1-CZ 4.44Å; L252-F298 HydrophobicContact CD1-CE2 4.12Å; L255-F298 HydrophobicContact CD2-CD2 3.68Å; L255-F298 HydrophobicContact CD2-CE2 4.18Å; L255-F298 HydrophobicContact CD2-CG 4.25Å; V256-F298 HydrophobicContact CG2-CE2 3.8Å; V256-F298 HydrophobicContact CG2-CZ 3.75Å; M259-F298 HydrophobicContact CE-CD1 3.72Å; M259-F298 HydrophobicContact CE-CE1 4.03Å; M259-F298 HydrophobicContact SD-CD1 3.56Å; M259-F298 VanDerWaalsContact SD-CD1 3.56Å; M259-F298 HydrophobicContact SD-CE1 3.76Å; M259-F298 HydrophobicContact SD-CG 4.1Å; M259-F298 HydrophobicContact SD-CZ 4.45Å; W296-F298 HydrophobicContact CH2-CD2 4.19Å; W296-F298 HydrophobicContact CZ2-CB 4.24Å; W296-F298 AromaticContact CZ2-CD2 3.82Å; W296-F298 HydrophobicContact CZ2-CD2 3.82Å; W296-F298 PolarHBondContact NE1-O 3.21Å; F298-C300 PolarHBondContact O-N 3.35Å
299N84.1Confident78.9Confident90 Ų9082.7 Ų82.748%0.48145%0.446SS..  trans-87.598.5169.7-171.5-19.1000110H301 L302N299-H301 PolarHBondContact O-N 2.02Å; N299-H301 VanDerWaalsContact OD1-CB 3.31Å; N299-H301 WeakPolarHBondContact OD1-CB 3.26Å; N299-H301 PolarHBondContact OD1-N 3.25Å; N299-L302 HydrophobicContact CB-CD1 4.06Å; N299-L302 HydrophobicContact CB-CG 4.17Å; N299-L302 PolarHBondContact O-N 3.47Å; N299-L302 VanDerWaalsContact O-N 3.12Å
300C86.9Confident78.9Confident5 Ų585.6 Ų85.63%0.03446%0.464CS..G310 helixtrans-61.4-17.7-179.6-57.10000113.2C278 F298 L302 L303C278-C300 HydrophobicContact CB-CB 3.65Å; C278-C300 WeakPolarHBondContact CB-SG 3.32Å; C278-C300 WeakPolarHBondContact SG-CA 3.27Å; C278-C300 WeakPolarHBondContact SG-CB 3.39Å; C278-C300 CovalentContact SG-SG 2.04Å; C278-C300 PolarHBondContact SG-SG 3.47Å; F298-C300 PolarHBondContact O-N 3.35Å; C300-L302 PolarHBondContact O-N 3.18Å; C300-L303 PolarHBondContact O-N 3.34Å
301H86.3Confident79Confident143 Ų14386.5 Ų86.566%0.66247%0.465SS*.G310 helixtrans-70.9-14.6177.4-64.9-92.4000114.6R275 N299 L303R275-H301 VanDerWaalsContact NH1-CA 3.3Å; R275-H301 PolarHBondContact NH1-ND1 3.08Å; R275-H301 PolarHBondContact NH2-O 3.2Å; N299-H301 PolarHBondContact O-N 2.02Å; N299-H301 VanDerWaalsContact OD1-CB 3.31Å; N299-H301 WeakPolarHBondContact OD1-CB 3.26Å; N299-H301 PolarHBondContact OD1-N 3.25Å; H301-L303 VanDerWaalsContact C-N 3.31Å
302L83.9Confident79.5Confident108 Ų10879.9 Ų79.957%0.56543%0.43SS*.G310 helixtrans-82.8-10.5175.7-60.2177.9000113W224 N299 C300W224-L302 HydrophobicContact CH2-CB 3.96Å; W224-L302 HydrophobicContact CZ2-CB 3.8Å; W224-L302 HydrophobicContact CZ2-CD1 4.13Å; N299-L302 HydrophobicContact CB-CD1 4.06Å; N299-L302 HydrophobicContact CB-CG 4.17Å; N299-L302 PolarHBondContact O-N 3.47Å; N299-L302 VanDerWaalsContact O-N 3.12Å; C300-L302 PolarHBondContact O-N 3.18Å
303L86.1Confident80.5Confident9 Ų974.5 Ų74.55%0.04741%0.407CS..SBendtrans-91.7151.7-178.9-65.4175.9000112.3L255 Q272 R275 C278 C300 H301 D305L255-L303 HydrophobicContact CD1-CD1 4.3Å; Q272-L303 HydrophobicContact CB-CD2 4.44Å; R275-L303 HydrophobicContact CB-CB 4.32Å; R275-L303 PolarHBondContact NE-O 3.08Å; R275-L303 PolarHBondContact NH2-O 2.88Å; C278-L303 HydrophobicContact CB-CD1 3.44Å; C278-L303 VanDerWaalsContact CB-CD1 3.44Å; C300-L303 PolarHBondContact O-N 3.34Å; H301-L303 VanDerWaalsContact C-N 3.31Å; L303-D305 PolarHBondContact O-N 3.21Å
304P84.9Confident81.2Confident49 Ų4974.4 Ų74.432%0.31839%0.394SS..  trans-58.9133178.6-22.232.6000112.1R275 S306 C312R275-P304 WeakPolarHBondContact CB-O 2.97Å; R275-P304 PolarHBondContact N-O 3.18Å; P304-S306 PolarHBondContact O-N 2.66Å; P304-C312 HydrophobicContact CB-CB 3.98Å; P304-C312 HydrophobicContact CG-CB 4.15Å
305D86.4Confident81.7Confident133 Ų13369.8 Ų69.871%0.71138%0.375SS*.  trans-95.775.7173.4-163.817000110.1L303L303-D305 PolarHBondContact O-N 3.21Å
306S80.1Confident82.1Confident20 Ų2068.4 Ų68.414%0.1436%0.359CS..  trans-138.3155.1-178.7-169.50000111.7P304 D308 E311 C312P304-S306 PolarHBondContact O-N 2.66Å; S306-D308 WeakPolarHBondContact OG-CB 3.33Å; S306-D308 PolarHBondContact OG-N 2.93Å; S306-E311 WeakPolarHBondContact CB-OE2 3.03Å; S306-E311 PolarHBondContact OG-OE2 2.97Å; S306-C312 PolarHBondContact O-SG 2.92Å; S306-C312 VanDerWaalsContact O-SG 3.37Å
307Q75.9Confident82.2Confident182 Ų18269.8 Ų69.885%0.8537%0.37SS*.  trans-105.1-1168.1-61.7-173.917.300111.5P309Q307-P309 WeakPolarHBondContact O-CD 3.25Å
308D76.6Confident82.5Confident75 Ų7569.7 Ų69.740%0.40137%0.365SS..  trans-77.4120.6178.7-164.6-37.3000110.1S306 V310 E311 C312S306-D308 WeakPolarHBondContact OG-CB 3.33Å; S306-D308 PolarHBondContact OG-N 2.93Å; D308-V310 PolarHBondContact O-N 2.97Å; D308-V310 VanDerWaalsContact O-N 3.08Å; D308-V310 WeakPolarHBondContact OD1-CB 3.25Å; D308-V310 WeakPolarHBondContact OD1-CG2 3.02Å; D308-V310 PolarHBondContact OD1-N 3Å; D308-E311 HydrophobicContact CB-CB 4.29Å; D308-E311 HydrophobicContact CB-CG 4.11Å; D308-E311 PolarHBondContact O-N 3.31Å; D308-C312 PolarHBondContact O-N 3.09Å
309P70.4Confident82.5Confident99 Ų9972.4 Ų72.464%0.64338%0.38SS*.THydrogen-bonded Turntrans-66.8-6179.729.5-37.2000114L271 Q307L271-P309 WeakPolarHBondContact CD1-O 3.24Å; Q307-P309 WeakPolarHBondContact O-CD 3.25Å
310V75.2Confident82.4Confident65 Ų6571.3 Ų71.339%0.39437%0.374SS..THydrogen-bonded Turntrans-92.4-19.3173.9-173.50000111.7L271 D308L271-V310 WeakPolarHBondContact CD2-O 3.3Å; D308-V310 PolarHBondContact O-N 2.97Å; D308-V310 VanDerWaalsContact O-N 3.08Å; D308-V310 WeakPolarHBondContact OD1-CB 3.25Å; D308-V310 WeakPolarHBondContact OD1-CG2 3.02Å; D308-V310 PolarHBondContact OD1-N 3Å
311E77.5Confident82.1Confident124 Ų12475.7 Ų75.758%0.57940%0.397SS*.THydrogen-bonded Turntrans-95.9-31.8-179.8-69.5-173.6162.600113S306 D308S306-E311 WeakPolarHBondContact CB-OE2 3.03Å; S306-E311 PolarHBondContact OG-OE2 2.97Å; D308-E311 HydrophobicContact CB-CB 4.29Å; D308-E311 HydrophobicContact CB-CG 4.11Å; D308-E311 PolarHBondContact O-N 3.31Å
312C85.9Confident81.8Confident2 Ų270.9 Ų70.91%0.01438%0.378CS..SBendtrans-152.9157.3177.560.60000112.3Q272 C274 P304 S306 D308Q272-C312 CarbonylContact O-C 3.53Å; Q272-C312 WeakPolarHBondContact O-CA 3.34Å; Q272-C312 WeakPolarHBondContact O-CB 3.43Å; C274-C312 VanDerWaalsContact CA-SG 3.53Å; C274-C312 HydrophobicContact CB-CB 3.91Å; C274-C312 WeakPolarHBondContact CB-SG 3.17Å; C274-C312 VanDerWaalsContact SG-C 3.53Å; C274-C312 WeakPolarHBondContact SG-CB 3.01Å; C274-C312 CovalentContact SG-SG 2.03Å; C274-C312 PolarHBondContact SG-SG 1.99Å; P304-C312 HydrophobicContact CB-CB 3.98Å; P304-C312 HydrophobicContact CG-CB 4.15Å; S306-C312 PolarHBondContact O-SG 2.92Å; S306-C312 VanDerWaalsContact O-SG 3.37Å; D308-C312 PolarHBondContact O-N 3.09Å
313S89.5Confident81.6Confident1 Ų168.1 Ų68.11%0.00736%0.363CS..BIsolated β-bridgetrans-92150.6-179.260.20000112.4L271 Q272 P273 C274 P315L271-S313 PolarHBondContact O-OG 2.75Å; Q272-S313 PolarHBondContact O-N 3.21Å; Q272-S313 PolarHBondContact O-OG 3.27Å; P273-S313 WeakPolarHBondContact CA-O 3.24Å; C274-S313 PolarHBondContact N-O 3.4Å; C274-S313 PolarHBondContact SG-O 2.6Å; C274-S313 VanDerWaalsContact SG-O 3.34Å; S313-P315 WeakPolarHBondContact O-CD 3.03Å
314Q89.7Confident81.2Confident111 Ų11173 Ų7352%0.51939%0.389SS..  trans-119.683.9169.8-66.2-174.2-5.700108.5S214 V277S214-Q314 PolarHBondContact OG-O 2.02Å; V277-Q314 HydrophobicContact CG2-CB 4.47Å; V277-Q314 HydrophobicContact CG2-CG 4.24Å
315P82.4Confident80.9Confident15 Ų1575.2 Ų75.210%0.09740%0.396CS..  trans-63.90-172.9-1830.5000115L213 S214 Y215 K254 P273 S313L213-P315 HydrophobicContact CD2-CB 4.04Å; S214-P315 PolarHBondContact N-OXT 2.99Å; S214-P315 WeakPolarHBondContact OG-CA 3.29Å; S214-P315 PolarHBondContact OG-OXT 3.22Å; Y215-P315 HydrophobicContact CE1-CB 3.79Å; Y215-P315 HydrophobicContact CE1-CG 4.07Å; K254-P315 HydrophobicContact CB-CB 4.27Å; K254-P315 VanDerWaalsContact CD-O 3.23Å; K254-P315 WeakPolarHBondContact CD-O 3.33Å; K254-P315 WeakPolarHBondContact CG-O 3.35Å; K254-P315 WeakPolarHBondContact O-CB 3.44Å; P273-P315 HydrophobicContact CB-CG 4.5Å; P273-P315 HydrophobicContact CG-CG 4.44Å; S313-P315 WeakPolarHBondContact O-CD 3.03Å

Retrieved 315 of 315 residues in 133.8 ms (Link to these results)