A0A087YMM7_POEFO Loading...

Proteasome inhibitor PI31 subunit

Plays an important role in control of proteasome function. Inhibits the hydrolysis of protein and peptide substrates by the 20S proteasome. Also inhibits the activation of the proteasome by the proteasome regulatory proteins PA700 and PA28.

AlphaFold DB , UniProt , Accession A0A087YMM7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 272 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
1M66.1Low89.2Confident118 Ų11857.5 Ų57.558%0.58137%0.374SS*.  065.30-66.1167.1-106.200110.6G3 L4 W28 A127M1-G3 PolarHBondContact O-N 3.3Å; M1-L4 HydrophobicContact SD-CD2 4.43Å; M1-W28 HydrophobicContact CB-CH2 3.79Å; M1-W28 HydrophobicContact CB-CZ2 4.25Å; M1-W28 HydrophobicContact CG-CH2 4.03Å; M1-W28 HydrophobicContact CG-CZ3 4.47Å; M1-A127 HydrophobicContact CE-CB 4.06Å; M1-A127 HydrophobicContact SD-CB 3.6Å
2A82.4Confident89.3Confident97 Ų9754.6 Ų54.680%0.80236%0.359SS*.THydrogen-bonded Turntrans-68.9128.9-176.400000111.1W28A2-W28 VanDerWaalsContact O-CZ2 3.32Å; A2-W28 WeakPolarHBondContact O-CZ2 3.3Å; A2-W28 PolarHBondContact O-NE1 3.49Å
3G88.4Confident89.5Confident41 Ų4162.5 Ų62.542%0.42340%0.396SS..THydrogen-bonded Turntrans94.5-16.3174.800000116.2M1 A6 L7M1-G3 PolarHBondContact O-N 3.3Å; G3-A6 PolarHBondContact O-N 3.26Å; G3-L7 PolarHBondContact O-N 3.22Å
4L92.2Very high89.6Confident0 Ų064.8 Ų64.80%040%0.397CS..Hα-helixtrans-64.9-45.5177179.564.3000111M1 A6 L7 Y8 F25 W28 F120 F124M1-L4 HydrophobicContact SD-CD2 4.43Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.33Å; L4-L7 PolarHBondContact O-N 3.37Å; L4-Y8 VanDerWaalsContact O-CB 3.3Å; L4-Y8 WeakPolarHBondContact O-CB 3.31Å; L4-Y8 PolarHBondContact O-N 2.87Å; L4-F25 HydrophobicContact CD1-CD2 4.23Å; L4-F25 HydrophobicContact CD2-CD2 3.67Å; L4-F25 HydrophobicContact CD2-CE2 3.72Å; L4-W28 HydrophobicContact CB-CD2 3.75Å; L4-W28 HydrophobicContact CB-CE3 4.17Å; L4-W28 HydrophobicContact CB-CG 4.04Å; L4-W28 HydrophobicContact CB-CH2 4.48Å; L4-W28 HydrophobicContact CB-CZ2 4.13Å; L4-W28 HydrophobicContact CD1-CB 3.64Å; L4-W28 HydrophobicContact CD1-CD2 3.92Å; L4-W28 HydrophobicContact CD1-CE3 4.1Å; L4-W28 HydrophobicContact CD1-CG 3.71Å; L4-W28 HydrophobicContact CD2-CE3 4.4Å; L4-W28 HydrophobicContact CG-CD2 4.31Å; L4-W28 HydrophobicContact CG-CE3 4.44Å; L4-W28 HydrophobicContact CG-CG 4.45Å; L4-F120 HydrophobicContact CB-CE2 4.49Å; L4-F120 HydrophobicContact CB-CZ 4.21Å; L4-F120 HydrophobicContact CD2-CE2 4Å; L4-F120 HydrophobicContact CD2-CZ 3.92Å; L4-F120 HydrophobicContact CG-CE2 3.77Å; L4-F120 HydrophobicContact CG-CZ 3.87Å; L4-F124 HydrophobicContact CD2-CE2 4.34Å
5E93.6Very high89.8Confident115 Ų11560.7 Ų60.754%0.53737%0.372SS..Hα-helixtrans-57.4-44.8176.5-176-173.7172.200111.9Y8 T9 F120E5-Y8 PolarHBondContact O-N 2.9Å; E5-T9 WeakPolarHBondContact O-CB 3.44Å; E5-T9 PolarHBondContact O-N 3.38Å; E5-T9 PolarHBondContact O-OG1 3.37Å; E5-F120 HydrophobicContact CB-CD1 3.85Å; E5-F120 HydrophobicContact CB-CE1 3.54Å; E5-F120 HydrophobicContact CB-CE2 4.37Å; E5-F120 HydrophobicContact CB-CG 4.37Å; E5-F120 HydrophobicContact CB-CZ 3.83Å; E5-F120 HydrophobicContact CG-CD1 3.69Å; E5-F120 HydrophobicContact CG-CE1 3.92Å; E5-F120 HydrophobicContact CG-CG 4.14Å
6A93.4Very high90Very high69 Ų6965.8 Ų65.857%0.5739%0.39SS*.Hα-helixtrans-65.2-43.2179.400000111.8G3 L4 C10G3-A6 PolarHBondContact O-N 3.26Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.33Å; A6-C10 WeakPolarHBondContact O-CB 3.23Å; A6-C10 PolarHBondContact O-N 3.1Å
7L93.8Very high90.2Very high15 Ų1563.2 Ų63.28%0.07938%0.376CS..Hα-helixtrans-62.3-49.4174.5179.774.1000110.6G3 L4 T9 C10 V11 W28G3-L7 PolarHBondContact O-N 3.22Å; L4-L7 PolarHBondContact O-N 3.37Å; L7-T9 VanDerWaalsContact C-N 3.32Å; L7-T9 PolarHBondContact O-N 3.27Å; L7-C10 WeakPolarHBondContact O-CB 3.24Å; L7-C10 PolarHBondContact O-N 3.07Å; L7-C10 VanDerWaalsContact O-N 3.08Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.49Å; L7-V11 VanDerWaalsContact O-N 3.12Å; L7-W28 HydrophobicContact CD2-CB 3.79Å
8Y93.3Very high90.4Very high4 Ų461.1 Ų61.12%0.01636%0.364CS..Hα-helixtrans-59.1-45.5-178.4-162.9-87.3000111.1L4 E5 C10 V11 A12 I15 A21 L117 F120 V123 F124L4-Y8 VanDerWaalsContact O-CB 3.3Å; L4-Y8 WeakPolarHBondContact O-CB 3.31Å; L4-Y8 PolarHBondContact O-N 2.87Å; E5-Y8 PolarHBondContact O-N 2.9Å; Y8-C10 VanDerWaalsContact C-N 3.31Å; Y8-C10 PolarHBondContact O-N 2.92Å; Y8-V11 CarbonylContact O-C 3.58Å; Y8-V11 PolarHBondContact O-N 2.89Å; Y8-A12 WeakPolarHBondContact O-CA 3.34Å; Y8-A12 PolarHBondContact O-N 3.47Å; Y8-I15 HydrophobicContact CD1-CD1 4.33Å; Y8-I15 HydrophobicContact CD2-CD1 3.77Å; Y8-I15 HydrophobicContact CE1-CD1 3.96Å; Y8-I15 HydrophobicContact CE2-CD1 3.34Å; Y8-I15 HydrophobicContact CG-CD1 4.24Å; Y8-I15 VanDerWaalsContact CZ-CD1 3.43Å; Y8-A21 HydrophobicContact CE2-CB 4.01Å; Y8-L117 WeakPolarHBondContact CE1-O 3.4Å; Y8-L117 PolarHBondContact OH-O 3.36Å; Y8-F120 HydrophobicContact CD1-CB 4.41Å; Y8-F120 AromaticContact CD1-CD2 3.91Å; Y8-F120 HydrophobicContact CD1-CD2 3.91Å; Y8-F120 HydrophobicContact CD2-CD2 4.3Å; Y8-F120 AromaticContact CG-CD2 3.72Å; Y8-F120 HydrophobicContact CG-CD2 3.72Å; Y8-F120 HydrophobicContact CG-CE2 4.26Å; Y8-V123 HydrophobicContact CE1-CG2 4.05Å; Y8-V123 HydrophobicContact CE2-CG1 4.12Å; Y8-V123 WeakPolarHBondContact OH-CG2 3.46Å; Y8-F124 HydrophobicContact CD2-CE2 4.12Å; Y8-F124 HydrophobicContact CD2-CZ 4.22Å; Y8-F124 HydrophobicContact CE2-CE2 4.08Å; Y8-F124 HydrophobicContact CE2-CZ 4.01Å
9T92.9Very high90.7Very high90 Ų9060.2 Ų60.255%0.55236%0.355SS*.Hα-helixtrans-61.3-39.5175.4-550000111.6E5 L7 V11 A12E5-T9 WeakPolarHBondContact O-CB 3.44Å; E5-T9 PolarHBondContact O-N 3.38Å; E5-T9 PolarHBondContact O-OG1 3.37Å; L7-T9 VanDerWaalsContact C-N 3.32Å; L7-T9 PolarHBondContact O-N 3.27Å; T9-V11 VanDerWaalsContact C-N 3.27Å; T9-V11 PolarHBondContact O-N 3.18Å; T9-A12 PolarHBondContact O-N 3.47Å
10C92.4Very high90.9Very high76 Ų7657.2 Ų57.251%0.51434%0.338SS..Hα-helixtrans-66-28.1178.6-176.70000113.3A6 L7 Y8A6-C10 WeakPolarHBondContact O-CB 3.23Å; A6-C10 PolarHBondContact O-N 3.1Å; L7-C10 WeakPolarHBondContact O-CB 3.24Å; L7-C10 PolarHBondContact O-N 3.07Å; L7-C10 VanDerWaalsContact O-N 3.08Å; Y8-C10 VanDerWaalsContact C-N 3.31Å; Y8-C10 PolarHBondContact O-N 2.92Å
11V92.8Very high91.1Very high7 Ų754.4 Ų54.44%0.04232%0.322CS..Hα-helixtrans-110.59.3179.1-58.60000113.7L7 Y8 T9 D13 K14 I15 L54L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.49Å; L7-V11 VanDerWaalsContact O-N 3.12Å; Y8-V11 CarbonylContact O-C 3.58Å; Y8-V11 PolarHBondContact O-N 2.89Å; T9-V11 VanDerWaalsContact C-N 3.27Å; T9-V11 PolarHBondContact O-N 3.18Å; V11-D13 PolarHBondContact O-N 3.02Å; V11-K14 WeakPolarHBondContact O-CA 3.17Å; V11-K14 WeakPolarHBondContact O-CB 3.3Å; V11-K14 PolarHBondContact O-N 3.4Å; V11-I15 HydrophobicContact CG2-CD1 3.94Å; V11-I15 HydrophobicContact CG2-CG1 4.22Å; V11-I15 PolarHBondContact O-N 3.13Å; V11-L54 HydrophobicContact CG1-CB 4.3Å; V11-L54 HydrophobicContact CG1-CD1 3.98Å; V11-L54 HydrophobicContact CG2-CD1 4.11Å
12A90.5Very high92.5Very high23 Ų2348.8 Ų48.819%0.1929%0.294CS..G310 helixtrans-55-39.3-175.200000112.2Y8 T9 K14 I15Y8-A12 WeakPolarHBondContact O-CA 3.34Å; Y8-A12 PolarHBondContact O-N 3.47Å; T9-A12 PolarHBondContact O-N 3.47Å; A12-K14 PolarHBondContact O-N 3.04Å; A12-I15 PolarHBondContact O-N 3.14Å
13D91.1Very high93.2Very high157 Ų15744.3 Ų44.384%0.8426%0.256SS*.G310 helixtrans-67.3-14.8177.8-56.4-27.9000113.8V11V11-D13 PolarHBondContact O-N 3.02Å
14K91.4Very high93.5Very high95 Ų9542.3 Ų42.341%0.41324%0.236SC..G310 helixtrans-107.6-5.1-177.5-57.1-179.9-176.61690113.1V11 A12 S59V11-K14 WeakPolarHBondContact O-CA 3.17Å; V11-K14 WeakPolarHBondContact O-CB 3.3Å; V11-K14 PolarHBondContact O-N 3.4Å; A12-K14 PolarHBondContact O-N 3.04Å; K14-S59 PolarHBondContact O-OG 3.07Å
15I93Very high93.7Very high4 Ų442.3 Ų42.32%0.02124%0.236CC..  trans-88.7104.2176.2-66.2176.5000107Y8 V11 A12 D20 A21Y8-I15 HydrophobicContact CD1-CD1 4.33Å; Y8-I15 HydrophobicContact CD2-CD1 3.77Å; Y8-I15 HydrophobicContact CE1-CD1 3.96Å; Y8-I15 HydrophobicContact CE2-CD1 3.34Å; Y8-I15 HydrophobicContact CG-CD1 4.24Å; Y8-I15 VanDerWaalsContact CZ-CD1 3.43Å; V11-I15 HydrophobicContact CG2-CD1 3.94Å; V11-I15 HydrophobicContact CG2-CG1 4.22Å; V11-I15 PolarHBondContact O-N 3.13Å; A12-I15 PolarHBondContact O-N 3.14Å; I15-D20 HydrophobicContact CB-CB 4.31Å; I15-D20 HydrophobicContact CG1-CB 4.24Å; I15-D20 HydrophobicContact CG2-CB 4.05Å; I15-A21 HydrophobicContact CG2-CB 4.47Å
16E92.9Very high93.8Very high142 Ų14236.9 Ų36.966%0.66421%0.211SC*.  trans-106.3-21.4-178.1-64.7170.4158.600111.6D20 K62E16-D20 PolarHBondContact N-OD2 3.08Å; E16-K62 WeakPolarHBondContact OE2-CE 3.34Å; E16-K62 IonicContact OE2-NZ 2.8Å; E16-K62 PolarHBondContact OE2-NZ 3.07Å
17C93.1Very high94Very high21 Ų2133.6 Ų33.614%0.14218%0.183CC..SBendtrans-139.3160.5-177.266.30000112.3Q19 D20C17-Q19 VanDerWaalsContact CB-OE1 3.31Å; C17-Q19 PolarHBondContact O-N 3.36Å; C17-Q19 PolarHBondContact SG-OE1 3.23Å; C17-Q19 VanDerWaalsContact SG-OE1 3.37Å; C17-D20 PolarHBondContact N-OD2 3.14Å; C17-D20 WeakPolarHBondContact O-CB 3.46Å; C17-D20 PolarHBondContact O-N 3.4Å; C17-D20 VanDerWaalsContact O-N 3.07Å; C17-D20 PolarHBondContact SG-OD2 3.24Å
18P93.8Very high94.1Very high26 Ų2633.7 Ų33.717%0.16918%0.183CC..Hα-helixtrans-58.8-28.8178.4-25.936.4000114D20 A21 V22 V108 V112 A114 L117P18-D20 VanDerWaalsContact C-N 3.32Å; P18-D20 PolarHBondContact O-N 3.43Å; P18-A21 WeakPolarHBondContact O-CB 3.46Å; P18-A21 PolarHBondContact O-N 3.2Å; P18-V22 PolarHBondContact O-N 3.39Å; P18-V108 HydrophobicContact CB-CG1 3.43Å; P18-V108 VanDerWaalsContact CB-CG1 3.43Å; P18-V112 HydrophobicContact CB-CB 4.38Å; P18-V112 HydrophobicContact CB-CG1 3.96Å; P18-A114 HydrophobicContact CG-CB 3.61Å; P18-L117 HydrophobicContact CB-CD2 4.27Å; P18-L117 HydrophobicContact CG-CD1 4.23Å; P18-L117 HydrophobicContact CG-CD2 4.22Å
19Q95.3Very high94.2Very high43 Ų4333.5 Ų33.520%0.20118%0.182CC..Hα-helixtrans-61.7-41.6175.9-64.582.1-13.100111.4C17 A21 V22 V23 Y65 L89 V108C17-Q19 VanDerWaalsContact CB-OE1 3.31Å; C17-Q19 PolarHBondContact O-N 3.36Å; C17-Q19 PolarHBondContact SG-OE1 3.23Å; C17-Q19 VanDerWaalsContact SG-OE1 3.37Å; Q19-A21 VanDerWaalsContact C-N 3.26Å; Q19-A21 PolarHBondContact O-N 3.36Å; Q19-V22 PolarHBondContact O-N 3.31Å; Q19-V23 WeakPolarHBondContact O-CG2 3.39Å; Q19-V23 PolarHBondContact O-N 3.01Å; Q19-Y65 HydrophobicContact CB-CE2 4.43Å; Q19-L89 HydrophobicContact CB-CD1 3.89Å; Q19-L89 HydrophobicContact CB-CD2 4.37Å; Q19-L89 HydrophobicContact CB-CG 4.42Å; Q19-L89 HydrophobicContact CG-CD1 4.09Å; Q19-L89 HydrophobicContact CG-CD2 4.28Å; Q19-L89 HydrophobicContact CG-CG 4.19Å; Q19-V108 HydrophobicContact CG-CG2 4.34Å
20D95.3Very high94.2Very high0 Ų029.2 Ų29.20%016%0.156CC..Hα-helixtrans-59.2-40.2177.3-64.5-30.5000110.5I15 E16 C17 P18 V23 C24 W58 S59 K62 Y65I15-D20 HydrophobicContact CB-CB 4.31Å; I15-D20 HydrophobicContact CG1-CB 4.24Å; I15-D20 HydrophobicContact CG2-CB 4.05Å; E16-D20 PolarHBondContact N-OD2 3.08Å; C17-D20 PolarHBondContact N-OD2 3.14Å; C17-D20 WeakPolarHBondContact O-CB 3.46Å; C17-D20 PolarHBondContact O-N 3.4Å; C17-D20 VanDerWaalsContact O-N 3.07Å; C17-D20 PolarHBondContact SG-OD2 3.24Å; P18-D20 VanDerWaalsContact C-N 3.32Å; P18-D20 PolarHBondContact O-N 3.43Å; D20-V23 PolarHBondContact O-N 3.01Å; D20-C24 VanDerWaalsContact O-CB 3.26Å; D20-C24 WeakPolarHBondContact O-CB 3.43Å; D20-C24 PolarHBondContact O-N 3.38Å; D20-W58 HydrophobicContact CB-CH2 3.71Å; D20-W58 HydrophobicContact CB-CZ3 4.36Å; D20-W58 VanDerWaalsContact O-CH2 3.32Å; D20-W58 WeakPolarHBondContact O-CH2 3.33Å; D20-S59 WeakPolarHBondContact OD1-CB 3.5Å; D20-K62 IonicContact OD1-NZ 3.39Å; D20-K62 PolarHBondContact OD1-NZ 3.47Å; D20-K62 IonicContact OD2-NZ 2.84Å; D20-K62 PolarHBondContact OD2-NZ 3.08Å; D20-Y65 VanDerWaalsContact OD1-CE1 3.31Å; D20-Y65 WeakPolarHBondContact OD1-CE1 3.32Å; D20-Y65 PolarHBondContact OD1-OH 2.81Å
21A95Very high94.3Very high0 Ų026.6 Ų26.60%014%0.136CC..Hα-helixtrans-64.1-42.8177.500000112.4Y8 I15 P18 Q19 C24 F25 V112 L117 V123 F124Y8-A21 HydrophobicContact CE2-CB 4.01Å; I15-A21 HydrophobicContact CG2-CB 4.47Å; P18-A21 WeakPolarHBondContact O-CB 3.46Å; P18-A21 PolarHBondContact O-N 3.2Å; Q19-A21 VanDerWaalsContact C-N 3.26Å; Q19-A21 PolarHBondContact O-N 3.36Å; A21-C24 PolarHBondContact O-N 3.34Å; A21-F25 PolarHBondContact O-N 3.3Å; A21-V112 HydrophobicContact CB-CG1 4.23Å; A21-V112 HydrophobicContact CB-CG2 4.35Å; A21-L117 HydrophobicContact CB-CD2 4.39Å; A21-V123 HydrophobicContact CB-CG1 4.08Å; A21-F124 HydrophobicContact CB-CE1 4.49Å; A21-F124 HydrophobicContact CB-CZ 4.44Å
22V95.9Very high94.3Very high0 Ų030.9 Ų30.90%015%0.154CC..Hα-helixtrans-65.8-43.7176.9-1760000110.9P18 Q19 C24 F25 V26 L89 F91 V106 V108 V112P18-V22 PolarHBondContact O-N 3.39Å; Q19-V22 PolarHBondContact O-N 3.31Å; V22-C24 VanDerWaalsContact C-N 3.33Å; V22-C24 PolarHBondContact O-N 3.2Å; V22-F25 WeakPolarHBondContact O-CB 3.4Å; V22-F25 PolarHBondContact O-N 3.02Å; V22-V26 WeakPolarHBondContact O-CG2 3.5Å; V22-V26 PolarHBondContact O-N 3.34Å; V22-L89 HydrophobicContact CB-CD1 3.76Å; V22-L89 HydrophobicContact CG1-CD1 4.01Å; V22-L89 HydrophobicContact CG2-CD1 4.27Å; V22-F91 HydrophobicContact CG1-CE2 3.83Å; V22-F91 HydrophobicContact CG1-CZ 3.8Å; V22-V106 HydrophobicContact CG1-CB 4.48Å; V22-V106 HydrophobicContact CG1-CG1 4.07Å; V22-V108 HydrophobicContact CG2-CG1 4.33Å; V22-V112 HydrophobicContact CG2-CG2 3.5Å
23V96.4Very high94.3Very high2 Ų233.1 Ų33.11%0.01216%0.163CC..Hα-helixtrans-63.5-40.4177.7173.80000111Q19 D20 F25 V26 H27 W58 Y65 L67 A82 L89 F91Q19-V23 WeakPolarHBondContact O-CG2 3.39Å; Q19-V23 PolarHBondContact O-N 3.01Å; D20-V23 PolarHBondContact O-N 3.01Å; V23-F25 VanDerWaalsContact C-N 3.33Å; V23-F25 PolarHBondContact O-N 3.07Å; V23-V26 PolarHBondContact O-N 3.28Å; V23-H27 WeakPolarHBondContact O-CB 3.21Å; V23-H27 PolarHBondContact O-N 2.98Å; V23-W58 HydrophobicContact CB-CZ3 3.85Å; V23-W58 HydrophobicContact CG1-CE3 3.93Å; V23-W58 HydrophobicContact CG1-CZ3 3.59Å; V23-Y65 HydrophobicContact CB-CD1 4.43Å; V23-Y65 HydrophobicContact CG1-CD1 4.04Å; V23-Y65 HydrophobicContact CG1-CG 4.28Å; V23-Y65 HydrophobicContact CG2-CD1 4.08Å; V23-Y65 HydrophobicContact CG2-CD2 3.92Å; V23-Y65 HydrophobicContact CG2-CE1 4.24Å; V23-Y65 HydrophobicContact CG2-CE2 4.12Å; V23-Y65 HydrophobicContact CG2-CG 3.9Å; V23-L67 HydrophobicContact CG1-CD1 4.31Å; V23-A82 HydrophobicContact CG2-CB 4.03Å; V23-L89 HydrophobicContact CG2-CD1 4.4Å; V23-F91 HydrophobicContact CG2-CE1 4.08Å; V23-F91 HydrophobicContact CG2-CZ 4.08Å
24C95.9Very high94.3Very high0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-60-42.7173.4-176.60000111.8D20 A21 V22 H27 W28 L54 W58D20-C24 VanDerWaalsContact O-CB 3.26Å; D20-C24 WeakPolarHBondContact O-CB 3.43Å; D20-C24 PolarHBondContact O-N 3.38Å; A21-C24 PolarHBondContact O-N 3.34Å; V22-C24 VanDerWaalsContact C-N 3.33Å; V22-C24 PolarHBondContact O-N 3.2Å; C24-H27 WeakPolarHBondContact O-CB 3.23Å; C24-H27 PolarHBondContact O-N 3.24Å; C24-W28 PolarHBondContact O-N 2.97Å; C24-L54 HydrophobicContact CB-CD1 4.27Å; C24-W58 HydrophobicContact CB-CH2 4.46Å
25F95.9Very high94.4Very high0 Ų023.8 Ų23.80%012%0.124CC..Hα-helixtrans-61.5-48.9175.8-174-82.2000112.3L4 A21 V22 V23 H27 W28 E29 F124 A127 L130L4-F25 HydrophobicContact CD1-CD2 4.23Å; L4-F25 HydrophobicContact CD2-CD2 3.67Å; L4-F25 HydrophobicContact CD2-CE2 3.72Å; A21-F25 PolarHBondContact O-N 3.3Å; V22-F25 WeakPolarHBondContact O-CB 3.4Å; V22-F25 PolarHBondContact O-N 3.02Å; V23-F25 VanDerWaalsContact C-N 3.33Å; V23-F25 PolarHBondContact O-N 3.07Å; F25-H27 VanDerWaalsContact C-N 3.32Å; F25-H27 PolarHBondContact O-N 3.39Å; F25-W28 PolarHBondContact O-N 3.16Å; F25-E29 HydrophobicContact CD1-CG 4.37Å; F25-E29 HydrophobicContact CE1-CG 3.84Å; F25-E29 HydrophobicContact CZ-CG 4.43Å; F25-E29 PolarHBondContact O-N 3.42Å; F25-F124 HydrophobicContact CB-CE1 3.87Å; F25-F124 HydrophobicContact CB-CZ 4.07Å; F25-F124 HydrophobicContact CD2-CD1 4.16Å; F25-F124 AromaticContact CD2-CE1 3.85Å; F25-F124 HydrophobicContact CD2-CE1 3.85Å; F25-F124 HydrophobicContact CD2-CE2 4.48Å; F25-F124 HydrophobicContact CD2-CZ 4.02Å; F25-F124 HydrophobicContact CG-CE1 4.19Å; F25-A127 HydrophobicContact CE2-CB 4Å; F25-A127 WeakPolarHBondContact CZ-O 3.32Å; F25-L130 HydrophobicContact CB-CD2 4.36Å; F25-L130 HydrophobicContact CD1-CB 4.49Å; F25-L130 HydrophobicContact CD1-CD2 3.43Å; F25-L130 VanDerWaalsContact CD1-CD2 3.43Å; F25-L130 HydrophobicContact CD1-CG 3.71Å; F25-L130 HydrophobicContact CD2-CD2 4.36Å; F25-L130 HydrophobicContact CE1-CB 3.94Å; F25-L130 HydrophobicContact CE1-CD2 3.75Å; F25-L130 HydrophobicContact CE1-CG 3.58Å; F25-L130 HydrophobicContact CG-CD2 3.79Å; F25-L130 HydrophobicContact CZ-CB 4.2Å; F25-L130 HydrophobicContact CZ-CD2 4.34Å; F25-L130 HydrophobicContact CZ-CG 4.3Å
26V96.3Very high94.5Very high0 Ų027.3 Ų27.30%014%0.137CC..Hα-helixtrans-62.5-41.4178.5174.50000110.7V22 V23 W28 E29 M30 L80 F91 V134 L138V22-V26 WeakPolarHBondContact O-CG2 3.5Å; V22-V26 PolarHBondContact O-N 3.34Å; V23-V26 PolarHBondContact O-N 3.28Å; V26-W28 VanDerWaalsContact C-N 3.34Å; V26-W28 PolarHBondContact O-N 2.97Å; V26-E29 PolarHBondContact O-N 3.14Å; V26-M30 WeakPolarHBondContact O-CG 3.48Å; V26-M30 PolarHBondContact O-N 3.34Å; V26-L80 HydrophobicContact CG1-CD2 3.97Å; V26-F91 HydrophobicContact CB-CD1 4.45Å; V26-F91 HydrophobicContact CB-CE1 3.96Å; V26-F91 HydrophobicContact CB-CZ 4.33Å; V26-F91 HydrophobicContact CG1-CD1 4.1Å; V26-F91 HydrophobicContact CG1-CE1 4.1Å; V26-F91 HydrophobicContact CG2-CD1 4.26Å; V26-F91 HydrophobicContact CG2-CE1 3.77Å; V26-F91 HydrophobicContact CG2-CE2 4.1Å; V26-F91 HydrophobicContact CG2-CZ 3.69Å; V26-V134 HydrophobicContact CG2-CG2 4.03Å; V26-L138 HydrophobicContact CG1-CD2 3.69Å
27H96.4Very high94.6Very high0 Ų020.7 Ų20.70%011%0.106CC..Hα-helixtrans-56.8-47.3173.7173.889.3000111.7V23 C24 F25 E29 M30 I31 E52 L54 Y69V23-H27 WeakPolarHBondContact O-CB 3.21Å; V23-H27 PolarHBondContact O-N 2.98Å; C24-H27 WeakPolarHBondContact O-CB 3.23Å; C24-H27 PolarHBondContact O-N 3.24Å; F25-H27 VanDerWaalsContact C-N 3.32Å; F25-H27 PolarHBondContact O-N 3.39Å; H27-E29 VanDerWaalsContact C-N 3.33Å; H27-E29 PolarHBondContact O-N 3.45Å; H27-M30 WeakPolarHBondContact O-CB 3.47Å; H27-M30 PolarHBondContact O-N 3.09Å; H27-M30 VanDerWaalsContact O-N 3.12Å; H27-I31 WeakPolarHBondContact O-CG1 3.24Å; H27-I31 PolarHBondContact O-N 3.16Å; H27-E52 PolarHBondContact NE2-O 3.17Å; H27-E52 VanDerWaalsContact NE2-O 3.13Å; H27-L54 HydrophobicContact CB-CD2 3.84Å; H27-L54 HydrophobicContact CB-CG 4.43Å; H27-L54 VanDerWaalsContact CG-CD2 3.47Å; H27-L54 WeakPolarHBondContact ND1-CD2 3.4Å; H27-Y69 AromaticContact CE1-CE1 4Å; H27-Y69 AromaticContact ND1-CE1 3.55Å; H27-Y69 AromaticContact ND1-CZ 3.59Å; H27-Y69 PolarHBondContact ND1-OH 3.4Å
28W96.1Very high94.6Very high18 Ų1820.6 Ų20.67%0.06810%0.104CC..Hα-helixtrans-60.1-41.9176.6175.577000112.4M1 A2 L4 L7 C24 F25 V26 M30 I31 K32M1-W28 HydrophobicContact CB-CH2 3.79Å; M1-W28 HydrophobicContact CB-CZ2 4.25Å; M1-W28 HydrophobicContact CG-CH2 4.03Å; M1-W28 HydrophobicContact CG-CZ3 4.47Å; A2-W28 VanDerWaalsContact O-CZ2 3.32Å; A2-W28 WeakPolarHBondContact O-CZ2 3.3Å; A2-W28 PolarHBondContact O-NE1 3.49Å; L4-W28 HydrophobicContact CB-CD2 3.75Å; L4-W28 HydrophobicContact CB-CE3 4.17Å; L4-W28 HydrophobicContact CB-CG 4.04Å; L4-W28 HydrophobicContact CB-CH2 4.48Å; L4-W28 HydrophobicContact CB-CZ2 4.13Å; L4-W28 HydrophobicContact CD1-CB 3.64Å; L4-W28 HydrophobicContact CD1-CD2 3.92Å; L4-W28 HydrophobicContact CD1-CE3 4.1Å; L4-W28 HydrophobicContact CD1-CG 3.71Å; L4-W28 HydrophobicContact CD2-CE3 4.4Å; L4-W28 HydrophobicContact CG-CD2 4.31Å; L4-W28 HydrophobicContact CG-CE3 4.44Å; L4-W28 HydrophobicContact CG-CG 4.45Å; L7-W28 HydrophobicContact CD2-CB 3.79Å; C24-W28 PolarHBondContact O-N 2.97Å; F25-W28 PolarHBondContact O-N 3.16Å; V26-W28 VanDerWaalsContact C-N 3.34Å; V26-W28 PolarHBondContact O-N 2.97Å; W28-M30 VanDerWaalsContact C-N 3.32Å; W28-M30 PolarHBondContact O-N 3.43Å; W28-I31 PolarHBondContact O-N 3.48Å; W28-K32 HydrophobicContact CE3-CD 4.47Å; W28-K32 HydrophobicContact CH2-CD 3.62Å; W28-K32 HydrophobicContact CZ2-CD 3.76Å; W28-K32 HydrophobicContact CZ3-CD 4Å; W28-K32 VanDerWaalsContact O-CB 3.28Å; W28-K32 WeakPolarHBondContact O-CB 3.47Å; W28-K32 PolarHBondContact O-N 2.96Å
29E95.3Very high94.6Very high0 Ų019.7 Ų19.70%010%0.1CC..Hα-helixtrans-62-38.7174.2-82.2-64.8155.800111.9F25 V26 H27 K32 N33 S131 V134 K135F25-E29 HydrophobicContact CD1-CG 4.37Å; F25-E29 HydrophobicContact CE1-CG 3.84Å; F25-E29 HydrophobicContact CZ-CG 4.43Å; F25-E29 PolarHBondContact O-N 3.42Å; V26-E29 PolarHBondContact O-N 3.14Å; H27-E29 VanDerWaalsContact C-N 3.33Å; H27-E29 PolarHBondContact O-N 3.45Å; E29-K32 IonicContact OE1-NZ 2.7Å; E29-K32 PolarHBondContact OE1-NZ 2.73Å; E29-K32 IonicContact OE2-NZ 3.12Å; E29-N33 PolarHBondContact O-N 3.38Å; E29-N33 VanDerWaalsContact O-N 3.17Å; E29-N33 PolarHBondContact O-ND2 3.21Å; E29-N33 PolarHBondContact OE2-ND2 3.36Å; E29-S131 VanDerWaalsContact CD-OG 3.25Å; E29-S131 WeakPolarHBondContact OE1-CB 3.39Å; E29-S131 PolarHBondContact OE1-OG 2.9Å; E29-V134 HydrophobicContact CB-CG1 3.79Å; E29-V134 HydrophobicContact CG-CG1 4.27Å; E29-K135 WeakPolarHBondContact OE2-CE 3.07Å
30M94.3Very high94.4Very high0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-58.9-51.3171.7-63.3-69.7-69.700110.8V26 H27 W28 K32 N33 Y35 Y69 L93 L139V26-M30 WeakPolarHBondContact O-CG 3.48Å; V26-M30 PolarHBondContact O-N 3.34Å; H27-M30 WeakPolarHBondContact O-CB 3.47Å; H27-M30 PolarHBondContact O-N 3.09Å; H27-M30 VanDerWaalsContact O-N 3.12Å; W28-M30 VanDerWaalsContact C-N 3.32Å; W28-M30 PolarHBondContact O-N 3.43Å; M30-K32 VanDerWaalsContact C-N 3.34Å; M30-K32 PolarHBondContact O-N 3.38Å; M30-N33 PolarHBondContact O-N 2.75Å; M30-N33 VanDerWaalsContact O-N 3.14Å; M30-Y35 HydrophobicContact CE-CD1 4.15Å; M30-Y35 HydrophobicContact CE-CD2 4.12Å; M30-Y35 HydrophobicContact CE-CE1 4.47Å; M30-Y35 HydrophobicContact CE-CE2 4.45Å; M30-Y35 HydrophobicContact CE-CG 3.96Å; M30-Y35 WeakPolarHBondContact O-CB 3.26Å; M30-Y35 VanDerWaalsContact O-CD2 3.26Å; M30-Y35 WeakPolarHBondContact O-CD2 3.36Å; M30-Y35 PolarHBondContact O-N 2.88Å; M30-Y69 HydrophobicContact CB-CD1 4.15Å; M30-Y69 HydrophobicContact CB-CE1 3.84Å; M30-Y69 HydrophobicContact CE-CD1 4.48Å; M30-Y69 HydrophobicContact CE-CD2 3.87Å; M30-Y69 HydrophobicContact CE-CE2 4.3Å; M30-Y69 HydrophobicContact CE-CG 3.97Å; M30-Y69 HydrophobicContact CG-CE1 4.3Å; M30-Y69 HydrophobicContact CG-CE2 4.37Å; M30-L93 HydrophobicContact CE-CD1 3.67Å; M30-L93 HydrophobicContact CE-CD2 3.96Å; M30-L93 HydrophobicContact SD-CD2 4.19Å; M30-L139 HydrophobicContact CE-CD2 4.42Å; M30-L139 HydrophobicContact SD-CD2 3.32Å; M30-L139 WeakPolarHBondContact SD-CD2 3.37Å
31I94.2Very high94.1Very high20 Ų2021.3 Ų21.310%0.10312%0.121CC..Hα-helixtrans-60.8-43.9-177.9-61.6-51.9000112H27 W28 N33 G34 Y35 C37 E52 Y69H27-I31 WeakPolarHBondContact O-CG1 3.24Å; H27-I31 PolarHBondContact O-N 3.16Å; W28-I31 PolarHBondContact O-N 3.48Å; I31-N33 PolarHBondContact O-N 2.91Å; I31-G34 PolarHBondContact O-N 3.11Å; I31-Y35 VanDerWaalsContact CD1-O 3.32Å; I31-Y35 WeakPolarHBondContact CD1-O 3.27Å; I31-C37 HydrophobicContact CD1-CB 4.44Å; I31-E52 HydrophobicContact CG2-CB 3.93Å; I31-E52 HydrophobicContact CG2-CG 3.77Å; I31-Y69 HydrophobicContact CD1-CD1 4.48Å; I31-Y69 HydrophobicContact CD1-CE1 4.27Å
32K92.4Very high93.7Very high97 Ų9724.8 Ų24.842%0.42214%0.139SC..Hα-helixtrans-59.6-31.1177.7178.3-177.3170.9-167.80113W28 E29 M30 G34W28-K32 HydrophobicContact CE3-CD 4.47Å; W28-K32 HydrophobicContact CH2-CD 3.62Å; W28-K32 HydrophobicContact CZ2-CD 3.76Å; W28-K32 HydrophobicContact CZ3-CD 4Å; W28-K32 VanDerWaalsContact O-CB 3.28Å; W28-K32 WeakPolarHBondContact O-CB 3.47Å; W28-K32 PolarHBondContact O-N 2.96Å; E29-K32 IonicContact OE1-NZ 2.7Å; E29-K32 PolarHBondContact OE1-NZ 2.73Å; E29-K32 IonicContact OE2-NZ 3.12Å; M30-K32 VanDerWaalsContact C-N 3.34Å; M30-K32 PolarHBondContact O-N 3.38Å; K32-G34 VanDerWaalsContact C-N 3.29Å; K32-G34 PolarHBondContact O-N 2.81Å
33N91.3Very high93.2Very high70 Ų7032 Ų3237%0.37417%0.173SC..THydrogen-bonded Turntrans-90.518.4177.4-71.2-83.6000113.3E29 M30 I31 Y35 L139E29-N33 PolarHBondContact O-N 3.38Å; E29-N33 VanDerWaalsContact O-N 3.17Å; E29-N33 PolarHBondContact O-ND2 3.21Å; E29-N33 PolarHBondContact OE2-ND2 3.36Å; M30-N33 PolarHBondContact O-N 2.75Å; M30-N33 VanDerWaalsContact O-N 3.14Å; I31-N33 PolarHBondContact O-N 2.91Å; N33-Y35 HydrophobicContact CB-CD2 4.25Å; N33-Y35 HydrophobicContact CB-CE2 4.26Å; N33-L139 HydrophobicContact CB-CD1 3.83Å; N33-L139 WeakPolarHBondContact ND2-CD1 3.42Å
34G90.8Very high92.7Very high33 Ų3336.8 Ų36.834%0.3420%0.204SC..THydrogen-bonded Turntrans91.83.5170.800000115.2I31 K32I31-G34 PolarHBondContact O-N 3.11Å; K32-G34 VanDerWaalsContact C-N 3.29Å; K32-G34 PolarHBondContact O-N 2.81Å
35Y93.1Very high92.1Very high23 Ų2339.6 Ų39.69%0.0922%0.224CC..EExtended strand (participates in β ladder)trans-77.9154.1173.3-62-87.6000110.8M30 I31 N33 Q70 T71 M78 L139 P140M30-Y35 HydrophobicContact CE-CD1 4.15Å; M30-Y35 HydrophobicContact CE-CD2 4.12Å; M30-Y35 HydrophobicContact CE-CE1 4.47Å; M30-Y35 HydrophobicContact CE-CE2 4.45Å; M30-Y35 HydrophobicContact CE-CG 3.96Å; M30-Y35 WeakPolarHBondContact O-CB 3.26Å; M30-Y35 VanDerWaalsContact O-CD2 3.26Å; M30-Y35 WeakPolarHBondContact O-CD2 3.36Å; M30-Y35 PolarHBondContact O-N 2.88Å; I31-Y35 VanDerWaalsContact CD1-O 3.32Å; I31-Y35 WeakPolarHBondContact CD1-O 3.27Å; N33-Y35 HydrophobicContact CB-CD2 4.25Å; N33-Y35 HydrophobicContact CB-CE2 4.26Å; Y35-Q70 CarbonylContact C-O 3.53Å; Y35-T71 WeakPolarHBondContact CE1-OG1 3.23Å; Y35-M78 HydrophobicContact CD1-CG 4.3Å; Y35-M78 HydrophobicContact CE1-CE 4.23Å; Y35-M78 HydrophobicContact CE1-CG 3.81Å; Y35-L139 HydrophobicContact CE2-CD2 4.08Å; Y35-P140 WeakPolarHBondContact OH-CD 3.32Å
36R94.3Very high91.4Very high79 Ų7945.8 Ų45.830%0.29827%0.267SS..EExtended strand (participates in β ladder)trans-125.1129.3171.2-68.9-64.4-178.6-81.57108.9K50 E52 Y69 Q70R36-K50 HydrophobicContact CB-CB 4.31Å; R36-E52 IonicContact CZ-OE1 2.86Å; R36-E52 IonicContact NE-OE1 3.48Å; R36-E52 PolarHBondContact NE-OE1 2.93Å; R36-E52 IonicContact NH2-OE1 3.22Å; R36-E52 PolarHBondContact NH2-OE1 2.83Å; R36-Y69 CarbonylContact O-C 3.57Å; R36-Y69 VanDerWaalsContact O-CA 3.24Å; R36-Y69 WeakPolarHBondContact O-CA 3.24Å; R36-Q70 PolarHBondContact N-O 2.81Å; R36-Q70 PolarHBondContact O-N 2.79Å
37C94.8Very high90.6Very high2 Ų256.5 Ų56.51%0.01431%0.307CS..EExtended strand (participates in β ladder)trans-72.2132.9176.5-171.50000109.3I31 K50 S51 R68 Y69I31-C37 HydrophobicContact CD1-CB 4.44Å; C37-K50 CarbonylContact O-C 3.57Å; C37-K50 WeakPolarHBondContact O-CA 3.29Å; C37-S51 WeakPolarHBondContact CB-O 3.33Å; C37-S51 PolarHBondContact N-O 3.4Å; C37-S51 PolarHBondContact O-N 3.1Å; C37-R68 WeakPolarHBondContact CA-O 3.46Å; C37-Y69 HydrophobicContact CB-CD1 4.01Å; C37-Y69 HydrophobicContact CB-CE1 3.83Å
38I94.1Very high90Very high20 Ų2058.8 Ų58.810%0.10332%0.32CS..EExtended strand (participates in β ladder)trans-99.3-40.5-178.6-53.9172.3000110.1D48 K49 R68 Q70 V77I38-D48 HydrophobicContact CG2-CB 3.45Å; I38-D48 VanDerWaalsContact CG2-CB 3.45Å; I38-D48 WeakPolarHBondContact O-CA 3.45Å; I38-K49 PolarHBondContact O-N 2.82Å; I38-R68 HydrophobicContact CB-CB 4.49Å; I38-R68 PolarHBondContact N-O 3.29Å; I38-Q70 HydrophobicContact CD1-CB 3.61Å; I38-Q70 HydrophobicContact CD1-CG 4.45Å; I38-Q70 HydrophobicContact CG1-CB 3.91Å; I38-V77 HydrophobicContact CD1-CG1 4.28Å; I38-V77 HydrophobicContact CD1-CG2 4.13Å
39G92.8Very high89.6Confident7 Ų765.7 Ų65.77%0.07235%0.35CS..EExtended strand (participates in β ladder)trans174.6178-173.600000112.6R68G39-R68 PolarHBondContact O-N 2.93Å
40S91.9Very high89.5Confident47 Ų4770.9 Ų70.933%0.32937%0.372SS..EExtended strand (participates in β ladder)trans-94.4165.6171.349.30000111.3S66 R68S40-S66 CarbonylContact C-O 3.5Å; S40-S66 VanDerWaalsContact CA-O 3.31Å; S40-S66 WeakPolarHBondContact CA-O 3.35Å; S40-R68 PolarHBondContact O-NH2 2.82Å; S40-R68 VanDerWaalsContact O-NH2 3.12Å
41G89.2Confident89.4Confident30 Ų3072.9 Ų72.931%0.30939%0.386SS..SBendtrans82.8176.3-179.800000113.6S66 R68G41-S66 PolarHBondContact N-O 3.24Å; G41-R68 WeakPolarHBondContact O-CD 3.4Å; G41-R68 VanDerWaalsContact O-CG 3.25Å; G41-R68 WeakPolarHBondContact O-CG 3.48Å; G41-R68 PolarHBondContact O-NE 3.44Å
42D85.8Confident89.4Confident73 Ų7376.8 Ų76.839%0.3940%0.404SS..SBendtrans-88-30.9-173.8-66.5-4000112.7S66 R68 K81D42-S66 WeakPolarHBondContact OD1-CB 3.35Å; D42-S66 PolarHBondContact OD1-OG 3.28Å; D42-R68 WeakPolarHBondContact O-CD 3.31Å; D42-K81 WeakPolarHBondContact OD1-CE 3.41Å; D42-K81 IonicContact OD1-NZ 3.61Å; D42-K81 PolarHBondContact OD1-NZ 2.81Å; D42-K81 WeakPolarHBondContact OD2-CE 3.24Å; D42-K81 IonicContact OD2-NZ 3.99Å; D42-K81 PolarHBondContact OD2-NZ 2.98Å
43E86Confident89.5Confident150 Ų15076.7 Ų76.770%0.70141%0.408SS*.SBendtrans-104.1149.9-174.4-68.5-61.115200112.7R68E43-R68 PolarHBondContact O-NE 2.66Å; E43-R68 PolarHBondContact O-NH1 3.2Å; E43-R68 PolarHBondContact O-NH2 2.77Å; E43-R68 VanDerWaalsContact O-NH2 3.12Å
44P85.6Confident89.7Confident104 Ų10474 Ų7468%0.67539%0.394SS*.  trans-53.9138.5169.8-23.234.4000113.5D48 R68P44-D48 WeakPolarHBondContact CA-OD2 3.38Å; P44-R68 VanDerWaalsContact CA-NH1 3.32Å
45S83.3Confident89.8Confident58 Ų5873.4 Ų73.441%0.40638%0.384SS..  trans-124.1149.5177.2174.40000110.4R47 D48S45-R47 PolarHBondContact O-N 3.09Å; S45-R47 VanDerWaalsContact O-N 3.11Å; S45-R47 PolarHBondContact OG-N 2.89Å; S45-D48 WeakPolarHBondContact CB-OD1 3.12Å; S45-D48 PolarHBondContact N-OD2 3.14Å; S45-D48 WeakPolarHBondContact O-CB 3.35Å; S45-D48 PolarHBondContact O-N 2.81Å
46S80.9Confident89.6Confident130 Ų13076.4 Ų76.491%0.90941%0.413SS*.THydrogen-bonded Turntrans-64.8-13.4174.7570000113.8D48S46-D48 VanDerWaalsContact C-N 3.32Å
47R79.9Confident89.4Confident226 Ų22674.7 Ų74.785%0.85342%0.42SS*.THydrogen-bonded Turntrans-88.2-0.7174.8-62.8-178.2-177.3172.71.3113.4S45 K49S45-R47 PolarHBondContact O-N 3.09Å; S45-R47 VanDerWaalsContact O-N 3.11Å; S45-R47 PolarHBondContact OG-N 2.89Å; R47-K49 PolarHBondContact O-N 2.84Å
48D84.6Confident89.4Confident48 Ų4874.9 Ų74.926%0.25742%0.421SS..  trans-62.5125.2-177.3-78.3-3.9000110.9I38 P44 S45 S46 R68I38-D48 HydrophobicContact CG2-CB 3.45Å; I38-D48 VanDerWaalsContact CG2-CB 3.45Å; I38-D48 WeakPolarHBondContact O-CA 3.45Å; P44-D48 WeakPolarHBondContact CA-OD2 3.38Å; S45-D48 WeakPolarHBondContact CB-OD1 3.12Å; S45-D48 PolarHBondContact N-OD2 3.14Å; S45-D48 WeakPolarHBondContact O-CB 3.35Å; S45-D48 PolarHBondContact O-N 2.81Å; S46-D48 VanDerWaalsContact C-N 3.32Å; D48-R68 IonicContact OD1-CZ 3.36Å; D48-R68 IonicContact OD1-NH1 3.7Å; D48-R68 IonicContact OD1-NH2 3.4Å; D48-R68 PolarHBondContact OD1-NH2 2.81Å; D48-R68 IonicContact OD2-CZ 2.69Å; D48-R68 IonicContact OD2-NH1 3.71Å; D48-R68 PolarHBondContact OD2-NH1 3.2Å; D48-R68 IonicContact OD2-NH2 2.89Å; D48-R68 PolarHBondContact OD2-NH2 2.69Å
49K88.1Confident89.3Confident163 Ų16374.6 Ų74.671%0.70942%0.42SS*.  trans-143.5128178.3-178-179.4175.9-176.80109I38 R47 S51I38-K49 PolarHBondContact O-N 2.82Å; R47-K49 PolarHBondContact O-N 2.84Å; K49-S51 PolarHBondContact O-N 2.79Å; K49-S51 VanDerWaalsContact O-N 3.16Å
50K91.8Very high89.3Confident108 Ų10879.3 Ų79.347%0.4745%0.452SS..  trans-57.1119.6172.7-65.6-176.9178.4-172.10109.7R36 C37 Q70R36-K50 HydrophobicContact CB-CB 4.31Å; C37-K50 CarbonylContact O-C 3.57Å; C37-K50 WeakPolarHBondContact O-CA 3.29Å; K50-Q70 VanDerWaalsContact NZ-CD 3.26Å
51S93.3Very high89.4Confident42 Ų4280.4 Ų80.429%0.29445%0.454SS..BIsolated β-bridgetrans-147.2153.9-176.5-171.90000110.3C37 K49 L53C37-S51 WeakPolarHBondContact CB-O 3.33Å; C37-S51 PolarHBondContact N-O 3.4Å; C37-S51 PolarHBondContact O-N 3.1Å; K49-S51 PolarHBondContact O-N 2.79Å; K49-S51 VanDerWaalsContact O-N 3.16Å; S51-L53 PolarHBondContact OG-N 2.85Å; S51-L53 VanDerWaalsContact OG-N 3.08Å
52E94Very high89.6Confident102 Ų10281.8 Ų81.848%0.47745%0.452SS..SBendtrans-91.4-8.4168.4-64.8-179.6-172.400111.8H27 I31 R36H27-E52 PolarHBondContact NE2-O 3.17Å; H27-E52 VanDerWaalsContact NE2-O 3.13Å; I31-E52 HydrophobicContact CG2-CB 3.93Å; I31-E52 HydrophobicContact CG2-CG 3.77Å; R36-E52 IonicContact CZ-OE1 2.86Å; R36-E52 IonicContact NE-OE1 3.48Å; R36-E52 PolarHBondContact NE-OE1 2.93Å; R36-E52 IonicContact NH2-OE1 3.22Å; R36-E52 PolarHBondContact NH2-OE1 2.83Å
53L94.6Very high90Very high96 Ų9685.2 Ų85.250%0.50347%0.465SS..SBendtrans-88.1150.8177.3-56.7176.5000110.7S51S51-L53 PolarHBondContact OG-N 2.85Å; S51-L53 VanDerWaalsContact OG-N 3.08Å
54L94.7Very high90.5Very high13 Ų1381.3 Ų81.37%0.06845%0.449CS..PPolyproline II helixtrans-60.5137.7168-77.9160.2000110.9V11 C24 H27 W58 L67V11-L54 HydrophobicContact CG1-CB 4.3Å; V11-L54 HydrophobicContact CG1-CD1 3.98Å; V11-L54 HydrophobicContact CG2-CD1 4.11Å; C24-L54 HydrophobicContact CB-CD1 4.27Å; H27-L54 HydrophobicContact CB-CD2 3.84Å; H27-L54 HydrophobicContact CB-CG 4.43Å; H27-L54 VanDerWaalsContact CG-CD2 3.47Å; H27-L54 WeakPolarHBondContact ND1-CD2 3.4Å; L54-W58 HydrophobicContact CB-CD2 4.39Å; L54-W58 HydrophobicContact CB-CG 4Å; L54-W58 HydrophobicContact CD1-CD2 4.14Å; L54-W58 HydrophobicContact CD1-CH2 4.38Å; L54-W58 HydrophobicContact CD1-CZ2 3.86Å; L54-W58 HydrophobicContact CD2-CB 4.47Å; L54-W58 HydrophobicContact CD2-CD2 4Å; L54-W58 HydrophobicContact CD2-CE3 4.25Å; L54-W58 HydrophobicContact CD2-CG 4.11Å; L54-W58 HydrophobicContact CG-CD2 4.41Å; L54-W58 HydrophobicContact CG-CG 4.47Å; L54-L67 HydrophobicContact CD2-CD1 4.01Å
55P93Very high91Very high20 Ų2076.5 Ų76.513%0.1342%0.417CS..PPolyproline II helixtrans-71162.7-176.227.8-31.8000111.8G57 W58 L67P55-G57 PolarHBondContact O-N 3.36Å; P55-W58 HydrophobicContact CG-CB 4.02Å; P55-W58 WeakPolarHBondContact O-CB 3.49Å; P55-W58 VanDerWaalsContact O-CD1 3.23Å; P55-W58 PolarHBondContact O-N 2.89Å; P55-L67 HydrophobicContact CG-CD2 3.52Å
56A89.9Confident91.6Very high87 Ų8774.6 Ų74.672%0.71940%0.404SS*.THydrogen-bonded Turntrans-62135.1175.400000110.8W58A56-W58 VanDerWaalsContact C-N 3.29Å; A56-W58 PolarHBondContact O-N 3.49Å
57G89.4Confident92.3Very high42 Ų4268.5 Ų68.543%0.43336%0.361SS..THydrogen-bonded Turntrans71.515.417900000115.4P55 S59 S60P55-G57 PolarHBondContact O-N 3.36Å; G57-S59 PolarHBondContact O-N 3.32Å; G57-S60 VanDerWaalsContact O-CB 3.27Å; G57-S60 WeakPolarHBondContact O-CB 3.3Å; G57-S60 PolarHBondContact O-N 2.96Å; G57-S60 VanDerWaalsContact O-N 3.13Å; G57-S60 PolarHBondContact O-OG 3.31Å
58W93.8Very high93.1Very high7 Ų758 Ų583%0.02732%0.322CS..THydrogen-bonded Turntrans-56.6-33.1-179.172.7-90.1000114.2D20 V23 C24 L54 P55 A56 Y65 L67D20-W58 HydrophobicContact CB-CH2 3.71Å; D20-W58 HydrophobicContact CB-CZ3 4.36Å; D20-W58 VanDerWaalsContact O-CH2 3.32Å; D20-W58 WeakPolarHBondContact O-CH2 3.33Å; V23-W58 HydrophobicContact CB-CZ3 3.85Å; V23-W58 HydrophobicContact CG1-CE3 3.93Å; V23-W58 HydrophobicContact CG1-CZ3 3.59Å; C24-W58 HydrophobicContact CB-CH2 4.46Å; L54-W58 HydrophobicContact CB-CD2 4.39Å; L54-W58 HydrophobicContact CB-CG 4Å; L54-W58 HydrophobicContact CD1-CD2 4.14Å; L54-W58 HydrophobicContact CD1-CH2 4.38Å; L54-W58 HydrophobicContact CD1-CZ2 3.86Å; L54-W58 HydrophobicContact CD2-CB 4.47Å; L54-W58 HydrophobicContact CD2-CD2 4Å; L54-W58 HydrophobicContact CD2-CE3 4.25Å; L54-W58 HydrophobicContact CD2-CG 4.11Å; L54-W58 HydrophobicContact CG-CD2 4.41Å; L54-W58 HydrophobicContact CG-CG 4.47Å; P55-W58 HydrophobicContact CG-CB 4.02Å; P55-W58 WeakPolarHBondContact O-CB 3.49Å; P55-W58 VanDerWaalsContact O-CD1 3.23Å; P55-W58 PolarHBondContact O-N 2.89Å; A56-W58 VanDerWaalsContact C-N 3.29Å; A56-W58 PolarHBondContact O-N 3.49Å; W58-Y65 AromaticContact CE3-CD1 3.99Å; W58-Y65 HydrophobicContact CE3-CD1 3.99Å; W58-Y65 HydrophobicContact CE3-CE1 4.16Å; W58-Y65 HydrophobicContact CZ3-CD1 4.06Å; W58-Y65 AromaticContact CZ3-CE1 3.88Å; W58-Y65 HydrophobicContact CZ3-CE1 3.88Å; W58-Y65 WeakPolarHBondContact O-CD1 3.42Å; W58-L67 HydrophobicContact CB-CD2 4.1Å
59S93.2Very high93.6Very high14 Ų1455.7 Ų55.710%0.09831%0.309CS..THydrogen-bonded Turntrans-103.120.6-179.957.90000113.5K14 D20 G57 K62K14-S59 PolarHBondContact O-OG 3.07Å; D20-S59 WeakPolarHBondContact OD1-CB 3.5Å; G57-S59 PolarHBondContact O-N 3.32Å; S59-K62 WeakPolarHBondContact O-CD 3.43Å; S59-K62 WeakPolarHBondContact O-CE 3.35Å; S59-K62 PolarHBondContact O-NZ 3.34Å
60S92.8Very high93.8Very high105 Ų10548.8 Ų48.873%0.73428%0.28SS*.SBendtrans-68.7-33.7-178.2550000113.5G57G57-S60 VanDerWaalsContact O-CB 3.27Å; G57-S60 WeakPolarHBondContact O-CB 3.3Å; G57-S60 PolarHBondContact O-N 2.96Å; G57-S60 VanDerWaalsContact O-N 3.13Å; G57-S60 PolarHBondContact O-OG 3.31Å
61N93.9Very high93.7Very high71 Ų7145.1 Ų45.138%0.3827%0.266SS..  trans-111.3117.2174-176.9-6.8000108.9E63 L64N61-E63 VanDerWaalsContact C-N 3.34Å; N61-E63 WeakPolarHBondContact OD1-CB 3.2Å; N61-E63 PolarHBondContact OD1-N 3.03Å; N61-L64 WeakPolarHBondContact CB-O 3.42Å; N61-L64 PolarHBondContact OD1-N 3Å
62K93.1Very high92.8Very high59 Ų5945.8 Ų45.826%0.25728%0.279SS..SBendtrans-81.4-14.5-178.8-51.5-54.9-171.7-176.80113.2E16 D20 S59 Y65 A84E16-K62 WeakPolarHBondContact OE2-CE 3.34Å; E16-K62 IonicContact OE2-NZ 2.8Å; E16-K62 PolarHBondContact OE2-NZ 3.07Å; D20-K62 IonicContact OD1-NZ 3.39Å; D20-K62 PolarHBondContact OD1-NZ 3.47Å; D20-K62 IonicContact OD2-NZ 2.84Å; D20-K62 PolarHBondContact OD2-NZ 3.08Å; S59-K62 WeakPolarHBondContact O-CD 3.43Å; S59-K62 WeakPolarHBondContact O-CE 3.35Å; S59-K62 PolarHBondContact O-NZ 3.34Å; K62-Y65 WeakPolarHBondContact O-CE2 3.26Å; K62-A84 WeakPolarHBondContact O-CB 3.14Å
63E94.5Very high91.8Very high145 Ų14548.4 Ų48.468%0.67830%0.297SS*.SBendtrans-88-33.3177.9-60.9-176.3168.200112N61 I83 A84N61-E63 VanDerWaalsContact C-N 3.34Å; N61-E63 WeakPolarHBondContact OD1-CB 3.2Å; N61-E63 PolarHBondContact OD1-N 3.03Å; E63-I83 WeakPolarHBondContact O-CA 3.34Å; E63-A84 PolarHBondContact O-N 2.89Å
64L95.9Very high91Very high67 Ų6746.8 Ų46.835%0.35129%0.291SS..EExtended strand (participates in β ladder)trans-141.6117.8-177.8176.467.7000111.2N61 K81 A82 I83N61-L64 WeakPolarHBondContact CB-O 3.42Å; N61-L64 PolarHBondContact OD1-N 3Å; L64-K81 HydrophobicContact CD1-CB 4.38Å; L64-A82 WeakPolarHBondContact CA-O 3.49Å; L64-I83 HydrophobicContact CD1-CG1 3.83Å
65Y96.5Very high90.6Very high3 Ų352.7 Ų52.71%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-102.9124.2170.8-55.5-101.9000108.8Q19 D20 V23 W58 K62 K81 A82 L89Q19-Y65 HydrophobicContact CB-CE2 4.43Å; D20-Y65 VanDerWaalsContact OD1-CE1 3.31Å; D20-Y65 WeakPolarHBondContact OD1-CE1 3.32Å; D20-Y65 PolarHBondContact OD1-OH 2.81Å; V23-Y65 HydrophobicContact CB-CD1 4.43Å; V23-Y65 HydrophobicContact CG1-CD1 4.04Å; V23-Y65 HydrophobicContact CG1-CG 4.28Å; V23-Y65 HydrophobicContact CG2-CD1 4.08Å; V23-Y65 HydrophobicContact CG2-CD2 3.92Å; V23-Y65 HydrophobicContact CG2-CE1 4.24Å; V23-Y65 HydrophobicContact CG2-CE2 4.12Å; V23-Y65 HydrophobicContact CG2-CG 3.9Å; W58-Y65 AromaticContact CE3-CD1 3.99Å; W58-Y65 HydrophobicContact CE3-CD1 3.99Å; W58-Y65 HydrophobicContact CE3-CE1 4.16Å; W58-Y65 HydrophobicContact CZ3-CD1 4.06Å; W58-Y65 AromaticContact CZ3-CE1 3.88Å; W58-Y65 HydrophobicContact CZ3-CE1 3.88Å; W58-Y65 WeakPolarHBondContact O-CD1 3.42Å; K62-Y65 WeakPolarHBondContact O-CE2 3.26Å; Y65-K81 CarbonylContact O-C 3.58Å; Y65-K81 VanDerWaalsContact O-CA 3.24Å; Y65-K81 WeakPolarHBondContact O-CA 3.45Å; Y65-A82 HydrophobicContact CD2-CB 4.11Å; Y65-A82 HydrophobicContact CG-CB 4.4Å; Y65-A82 PolarHBondContact N-O 2.56Å; Y65-A82 PolarHBondContact O-N 2.89Å; Y65-L89 HydrophobicContact CE2-CD2 4.49Å
66S96.3Very high90.4Very high18 Ų1853.9 Ų53.913%0.12633%0.329CS..EExtended strand (participates in β ladder)trans-119.7118.7173.7-76.20000110S40 G41 D42 L80S40-S66 CarbonylContact C-O 3.5Å; S40-S66 VanDerWaalsContact CA-O 3.31Å; S40-S66 WeakPolarHBondContact CA-O 3.35Å; G41-S66 PolarHBondContact N-O 3.24Å; D42-S66 WeakPolarHBondContact OD1-CB 3.35Å; D42-S66 PolarHBondContact OD1-OG 3.28Å; S66-L80 WeakPolarHBondContact CA-O 3.5Å
67L96.2Very high90.5Very high2 Ų251.6 Ų51.61%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-128.6140.1179.7-64.8176.5000110.5V23 L54 P55 W58 Y69 L80V23-L67 HydrophobicContact CG1-CD1 4.31Å; L54-L67 HydrophobicContact CD2-CD1 4.01Å; P55-L67 HydrophobicContact CG-CD2 3.52Å; W58-L67 HydrophobicContact CB-CD2 4.1Å; L67-Y69 HydrophobicContact CB-CD2 4.47Å; L67-Y69 HydrophobicContact CB-CE2 3.61Å; L67-Y69 WeakPolarHBondContact CD1-OH 3.35Å; L67-L80 HydrophobicContact CB-CB 4.48Å; L67-L80 PolarHBondContact N-O 2.8Å; L67-L80 PolarHBondContact O-N 3.44Å
68R95.1Very high90.7Very high6 Ų650.1 Ų50.12%0.02329%0.289CS..EExtended strand (participates in β ladder)trans-112.7134.7178.9-68.9177.1-68.21173.5110.6C37 I38 G39 S40 G41 D42 E43 P44 D48 V77 M78 V79C37-R68 WeakPolarHBondContact CA-O 3.46Å; I38-R68 HydrophobicContact CB-CB 4.49Å; I38-R68 PolarHBondContact N-O 3.29Å; G39-R68 PolarHBondContact O-N 2.93Å; S40-R68 PolarHBondContact O-NH2 2.82Å; S40-R68 VanDerWaalsContact O-NH2 3.12Å; G41-R68 WeakPolarHBondContact O-CD 3.4Å; G41-R68 VanDerWaalsContact O-CG 3.25Å; G41-R68 WeakPolarHBondContact O-CG 3.48Å; G41-R68 PolarHBondContact O-NE 3.44Å; D42-R68 WeakPolarHBondContact O-CD 3.31Å; E43-R68 PolarHBondContact O-NE 2.66Å; E43-R68 PolarHBondContact O-NH1 3.2Å; E43-R68 PolarHBondContact O-NH2 2.77Å; E43-R68 VanDerWaalsContact O-NH2 3.12Å; P44-R68 VanDerWaalsContact CA-NH1 3.32Å; D48-R68 IonicContact OD1-CZ 3.36Å; D48-R68 IonicContact OD1-NH1 3.7Å; D48-R68 IonicContact OD1-NH2 3.4Å; D48-R68 PolarHBondContact OD1-NH2 2.81Å; D48-R68 IonicContact OD2-CZ 2.69Å; D48-R68 IonicContact OD2-NH1 3.71Å; D48-R68 PolarHBondContact OD2-NH1 3.2Å; D48-R68 IonicContact OD2-NH2 2.89Å; D48-R68 PolarHBondContact OD2-NH2 2.69Å; R68-V77 HydrophobicContact CB-CG1 4.35Å; R68-M78 WeakPolarHBondContact CA-O 3.39Å; R68-V79 HydrophobicContact CG-CG2 4.31Å
69Y95.3Very high90.8Very high0 Ų050.6 Ų50.60%029%0.292CS..EExtended strand (participates in β ladder)trans-126.3153.5-178.6-62.2-91.1000111H27 M30 I31 R36 C37 L67 V77 M78 L80H27-Y69 AromaticContact CE1-CE1 4Å; H27-Y69 AromaticContact ND1-CE1 3.55Å; H27-Y69 AromaticContact ND1-CZ 3.59Å; H27-Y69 PolarHBondContact ND1-OH 3.4Å; M30-Y69 HydrophobicContact CB-CD1 4.15Å; M30-Y69 HydrophobicContact CB-CE1 3.84Å; M30-Y69 HydrophobicContact CE-CD1 4.48Å; M30-Y69 HydrophobicContact CE-CD2 3.87Å; M30-Y69 HydrophobicContact CE-CE2 4.3Å; M30-Y69 HydrophobicContact CE-CG 3.97Å; M30-Y69 HydrophobicContact CG-CE1 4.3Å; M30-Y69 HydrophobicContact CG-CE2 4.37Å; I31-Y69 HydrophobicContact CD1-CD1 4.48Å; I31-Y69 HydrophobicContact CD1-CE1 4.27Å; R36-Y69 CarbonylContact O-C 3.57Å; R36-Y69 VanDerWaalsContact O-CA 3.24Å; R36-Y69 WeakPolarHBondContact O-CA 3.24Å; C37-Y69 HydrophobicContact CB-CD1 4.01Å; C37-Y69 HydrophobicContact CB-CE1 3.83Å; L67-Y69 HydrophobicContact CB-CD2 4.47Å; L67-Y69 HydrophobicContact CB-CE2 3.61Å; L67-Y69 WeakPolarHBondContact CD1-OH 3.35Å; Y69-V77 CarbonylContact O-C 3.57Å; Y69-V77 WeakPolarHBondContact O-CA 3.4Å; Y69-M78 PolarHBondContact N-O 3.16Å; Y69-M78 PolarHBondContact O-N 2.95Å; Y69-L80 HydrophobicContact CD2-CB 4.17Å; Y69-L80 HydrophobicContact CE2-CB 3.78Å; Y69-L80 HydrophobicContact CE2-CD2 3.87Å; Y69-L80 HydrophobicContact CE2-CG 4.5Å
70Q93.4Very high91Very high18 Ų1850.1 Ų50.18%0.08429%0.289CS..EExtended strand (participates in β ladder)trans-129139.1170.5-160.4172.5-12.700109Y35 R36 I38 K50 T74 D75Y35-Q70 CarbonylContact C-O 3.53Å; R36-Q70 PolarHBondContact N-O 2.81Å; R36-Q70 PolarHBondContact O-N 2.79Å; I38-Q70 HydrophobicContact CD1-CB 3.61Å; I38-Q70 HydrophobicContact CD1-CG 4.45Å; I38-Q70 HydrophobicContact CG1-CB 3.91Å; K50-Q70 VanDerWaalsContact NZ-CD 3.26Å; Q70-T74 WeakPolarHBondContact CG-O 3.33Å; Q70-T74 PolarHBondContact NE2-O 3.47Å; Q70-D75 PolarHBondContact NE2-OD1 3.14Å
71T88.4Confident91.2Very high31 Ų3148.2 Ų48.219%0.1927%0.267CS..EExtended strand (participates in β ladder)trans-74.3145.6169-48.20000109.1Y35 D73 T74Y35-T71 WeakPolarHBondContact CE1-OG1 3.23Å; T71-D73 PolarHBondContact O-N 3.43Å; T71-T74 WeakPolarHBondContact CB-OG1 3.33Å; T71-T74 VanDerWaalsContact O-O 3.04Å
72G73.8Confident91.4Very high55 Ų5544.9 Ų44.957%0.56725%0.249SC*.THydrogen-bonded Turntrans-56.5-34.4-179.600000114.2
73D74.2Confident91.6Very high158 Ų15845 Ų4585%0.84525%0.252SS*.THydrogen-bonded Turntrans-93-16.9-168.8-55.2-40.3000114.1T71T71-D73 PolarHBondContact O-N 3.43Å
74T78.6Confident91.6Very high61 Ų6139.4 Ų39.437%0.37423%0.231SC..  trans-130.8150.9-171.654.30000111.8Q70 T71 T76Q70-T74 WeakPolarHBondContact CG-O 3.33Å; Q70-T74 PolarHBondContact NE2-O 3.47Å; T71-T74 WeakPolarHBondContact CB-OG1 3.33Å; T71-T74 VanDerWaalsContact O-O 3.04Å; T74-T76 WeakPolarHBondContact CB-OG1 3.49Å; T74-T76 PolarHBondContact O-N 2.89Å; T74-T76 PolarHBondContact OG1-OG1 2.98Å
75D84.7Confident91.6Very high138 Ų13839.4 Ų39.474%0.73823%0.233SC*.  trans-79.914.5170.1-149.732.9000113Q70 V77Q70-D75 PolarHBondContact NE2-OD1 3.14Å; D75-V77 PolarHBondContact O-N 3.47Å
76T88.6Confident91.4Very high44 Ų4446.6 Ų46.627%0.2727%0.272SS..  trans-75.8115.317857.20000109.6T74T74-T76 WeakPolarHBondContact CB-OG1 3.49Å; T74-T76 PolarHBondContact O-N 2.89Å; T74-T76 PolarHBondContact OG1-OG1 2.98Å
77V92.8Very high91.1Very high40 Ų4049 Ų4924%0.24229%0.289CS..EExtended strand (participates in β ladder)trans-83.6133.2171.6-179.70000109.3I38 R68 Y69 D75 S96I38-V77 HydrophobicContact CD1-CG1 4.28Å; I38-V77 HydrophobicContact CD1-CG2 4.13Å; R68-V77 HydrophobicContact CB-CG1 4.35Å; Y69-V77 CarbonylContact O-C 3.57Å; Y69-V77 WeakPolarHBondContact O-CA 3.4Å; D75-V77 PolarHBondContact O-N 3.47Å; V77-S96 VanDerWaalsContact O-CB 3.26Å; V77-S96 WeakPolarHBondContact O-CB 3.5Å; V77-S96 PolarHBondContact O-N 3.22Å; V77-S96 PolarHBondContact O-OG 3.04Å
78M94.3Very high91.1Very high11 Ų1151 Ų515%0.05430%0.301CS..EExtended strand (participates in β ladder)trans-104.7134.1168.3-58.5-70.4-172.900109.2Y35 R68 Y69 L93 M94 N95 P140Y35-M78 HydrophobicContact CD1-CG 4.3Å; Y35-M78 HydrophobicContact CE1-CE 4.23Å; Y35-M78 HydrophobicContact CE1-CG 3.81Å; R68-M78 WeakPolarHBondContact CA-O 3.39Å; Y69-M78 PolarHBondContact N-O 3.16Å; Y69-M78 PolarHBondContact O-N 2.95Å; M78-L93 HydrophobicContact CB-CD1 3.89Å; M78-M94 CarbonylContact C-O 3.56Å; M78-M94 VanDerWaalsContact CA-O 3.27Å; M78-M94 WeakPolarHBondContact CA-O 3.22Å; M78-N95 HydrophobicContact CE-CB 4.08Å; M78-N95 WeakPolarHBondContact CE-ND2 3.42Å; M78-N95 WeakPolarHBondContact SD-CA 3.44Å; M78-N95 HydrophobicContact SD-CB 3.51Å; M78-N95 VanDerWaalsContact SD-CB 3.51Å; M78-P140 HydrophobicContact CE-CG 4.31Å
79V95.6Very high91.2Very high17 Ų1750.7 Ų50.710%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-108.6114.7176-175.30000108.1R68 K81 L93 M94R68-V79 HydrophobicContact CG-CG2 4.31Å; V79-K81 HydrophobicContact CG1-CG 4.39Å; V79-L93 WeakPolarHBondContact O-CA 3.44Å; V79-M94 PolarHBondContact N-O 3.14Å; V79-M94 PolarHBondContact O-N 3.27Å
80L97.1Very high91.3Very high4 Ų453 Ų532%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-97.5124173.5-178.470.1000109V26 S66 L67 Y69 F91 N92 L93 L138V26-L80 HydrophobicContact CG1-CD2 3.97Å; S66-L80 WeakPolarHBondContact CA-O 3.5Å; L67-L80 HydrophobicContact CB-CB 4.48Å; L67-L80 PolarHBondContact N-O 2.8Å; L67-L80 PolarHBondContact O-N 3.44Å; Y69-L80 HydrophobicContact CD2-CB 4.17Å; Y69-L80 HydrophobicContact CE2-CB 3.78Å; Y69-L80 HydrophobicContact CE2-CD2 3.87Å; Y69-L80 HydrophobicContact CE2-CG 4.5Å; L80-F91 HydrophobicContact CD1-CB 4.47Å; L80-F91 HydrophobicContact CD1-CD1 4.21Å; L80-N92 CarbonylContact C-O 3.53Å; L80-N92 WeakPolarHBondContact CA-O 3.33Å; L80-L93 HydrophobicContact CB-CD1 3.95Å; L80-L93 HydrophobicContact CD1-CB 4.12Å; L80-L93 HydrophobicContact CD1-CD1 4.09Å; L80-L138 HydrophobicContact CD1-CD1 4.36Å; L80-L138 HydrophobicContact CD1-CD2 4.01Å
81K97.1Very high91.5Very high64 Ų6452.1 Ų52.128%0.27831%0.308SS..EExtended strand (participates in β ladder)trans-113.4131.8169.3-65.2-169.2174-163.90109.5D42 L64 Y65 V79 F91 N92D42-K81 WeakPolarHBondContact OD1-CE 3.41Å; D42-K81 IonicContact OD1-NZ 3.61Å; D42-K81 PolarHBondContact OD1-NZ 2.81Å; D42-K81 WeakPolarHBondContact OD2-CE 3.24Å; D42-K81 IonicContact OD2-NZ 3.99Å; D42-K81 PolarHBondContact OD2-NZ 2.98Å; L64-K81 HydrophobicContact CD1-CB 4.38Å; Y65-K81 CarbonylContact O-C 3.58Å; Y65-K81 VanDerWaalsContact O-CA 3.24Å; Y65-K81 WeakPolarHBondContact O-CA 3.45Å; V79-K81 HydrophobicContact CG1-CG 4.39Å; K81-F91 CarbonylContact O-C 3.49Å; K81-F91 VanDerWaalsContact O-CA 3.29Å; K81-F91 WeakPolarHBondContact O-CA 3.38Å; K81-N92 PolarHBondContact N-O 2.84Å; K81-N92 PolarHBondContact O-N 2.77Å
82A97.3Very high91.9Very high2 Ų252.7 Ų52.72%0.01731%0.309CS..EExtended strand (participates in β ladder)trans-115.5121.3167.800000108.5V23 L64 Y65 L89 I90 F91V23-A82 HydrophobicContact CG2-CB 4.03Å; L64-A82 WeakPolarHBondContact CA-O 3.49Å; Y65-A82 HydrophobicContact CD2-CB 4.11Å; Y65-A82 HydrophobicContact CG-CB 4.4Å; Y65-A82 PolarHBondContact N-O 2.56Å; Y65-A82 PolarHBondContact O-N 2.89Å; A82-L89 HydrophobicContact CB-CD2 4.43Å; A82-I90 CarbonylContact C-O 3.5Å; A82-I90 VanDerWaalsContact CA-O 3.31Å; A82-I90 WeakPolarHBondContact CA-O 3.46Å; A82-F91 HydrophobicContact CB-CD1 3.56Å; A82-F91 HydrophobicContact CB-CE1 3.41Å; A82-F91 VanDerWaalsContact CB-CE1 3.41Å; A82-F91 HydrophobicContact CB-CG 4.32Å; A82-F91 HydrophobicContact CB-CZ 4.05Å
83I97.3Very high93Very high61 Ų6150.3 Ų50.331%0.31328%0.284SS..EExtended strand (participates in β ladder)trans-111.2120.5-177-54.5169.1000107.4E63 L64 V85 L89 I90E63-I83 WeakPolarHBondContact O-CA 3.34Å; L64-I83 HydrophobicContact CD1-CG1 3.83Å; I83-V85 HydrophobicContact CG2-CG2 4.12Å; I83-L89 WeakPolarHBondContact O-CA 3.43Å; I83-I90 HydrophobicContact CB-CB 4.49Å; I83-I90 PolarHBondContact N-O 2.74Å; I83-I90 PolarHBondContact O-N 3.34Å
84A96.1Very high94Very high27 Ų2746.4 Ų46.422%0.22326%0.262CS..EExtended strand (participates in β ladder)trans-83.6124.2175.300000109.9K62 E63 L89K62-A84 WeakPolarHBondContact O-CB 3.14Å; E63-A84 PolarHBondContact O-N 2.89Å; A84-L89 HydrophobicContact CB-CD2 3.88Å
85V95.5Very high94.7Very high68 Ų6844.7 Ų44.741%0.41225%0.25SS..EExtended strand (participates in β ladder)trans-129.7102.8175-174.60000107.1I83 S87 T88 I90I83-V85 HydrophobicContact CG2-CG2 4.12Å; V85-S87 PolarHBondContact O-N 3.45Å; V85-S87 VanDerWaalsContact O-N 3.13Å; V85-T88 CarbonylContact C-O 3.52Å; V85-T88 PolarHBondContact N-O 2.92Å; V85-T88 PolarHBondContact O-N 3.12Å; V85-T88 VanDerWaalsContact O-O 3.07Å; V85-I90 HydrophobicContact CG2-CD1 3.95Å; V85-I90 HydrophobicContact CG2-CG1 4.47Å
86D91.2Very high95Very high154 Ų15440.1 Ų40.182%0.82423%0.229SC*.THydrogen-bonded Turntrans52.1-112.3-173.7-58.2-42.4000112.5
87S91.7Very high95Very high69 Ų6940.9 Ų40.948%0.48325%0.245SC..THydrogen-bonded Turntrans-94.54.5178.363.20000113.8V85 N107 V108V85-S87 PolarHBondContact O-N 3.45Å; V85-S87 VanDerWaalsContact O-N 3.13Å; S87-N107 PolarHBondContact O-OD1 3.46Å; S87-V108 WeakPolarHBondContact O-CB 3.25Å; S87-V108 WeakPolarHBondContact O-CG2 3.43Å; S87-V108 PolarHBondContact O-N 2.86Å
88T94.9Very high94.9Very high43 Ų4342.7 Ų42.726%0.26426%0.256SS..EExtended strand (participates in β ladder)trans-116.3136.4-176.1-57.80000110.7V85 M105 V106V85-T88 CarbonylContact C-O 3.52Å; V85-T88 PolarHBondContact N-O 2.92Å; V85-T88 PolarHBondContact O-N 3.12Å; V85-T88 VanDerWaalsContact O-O 3.07Å; T88-M105 HydrophobicContact CG2-CB 4.3Å; T88-V106 CarbonylContact C-O 3.5Å; T88-V106 WeakPolarHBondContact CA-O 3.45Å
89L96.9Very high94.8Very high0 Ų048.8 Ų48.80%028%0.283CS..EExtended strand (participates in β ladder)trans-103.3126.1168.8-83.3168.9000109.5Q19 V22 V23 Y65 A82 I83 A84 F91 V106 V108Q19-L89 HydrophobicContact CB-CD1 3.89Å; Q19-L89 HydrophobicContact CB-CD2 4.37Å; Q19-L89 HydrophobicContact CB-CG 4.42Å; Q19-L89 HydrophobicContact CG-CD1 4.09Å; Q19-L89 HydrophobicContact CG-CD2 4.28Å; Q19-L89 HydrophobicContact CG-CG 4.19Å; V22-L89 HydrophobicContact CB-CD1 3.76Å; V22-L89 HydrophobicContact CG1-CD1 4.01Å; V22-L89 HydrophobicContact CG2-CD1 4.27Å; V23-L89 HydrophobicContact CG2-CD1 4.4Å; Y65-L89 HydrophobicContact CE2-CD2 4.49Å; A82-L89 HydrophobicContact CB-CD2 4.43Å; I83-L89 WeakPolarHBondContact O-CA 3.43Å; A84-L89 HydrophobicContact CB-CD2 3.88Å; L89-F91 HydrophobicContact CB-CD2 4.37Å; L89-F91 HydrophobicContact CB-CE2 3.74Å; L89-F91 HydrophobicContact CB-CZ 4.31Å; L89-F91 HydrophobicContact CD1-CE2 4.33Å; L89-F91 HydrophobicContact CD1-CZ 4.21Å; L89-V106 PolarHBondContact N-O 3.42Å; L89-V106 PolarHBondContact O-N 3.15Å; L89-V108 HydrophobicContact CB-CG2 4.44Å; L89-V108 HydrophobicContact CD1-CG2 3.91Å; L89-V108 HydrophobicContact CG-CG2 3.95Å
90I97.6Very high94.7Very high47 Ų4754.6 Ų54.624%0.24131%0.309CS..EExtended strand (participates in β ladder)trans-103113175.5-49.8-179.8000107.8A82 I83 V85 M105A82-I90 CarbonylContact C-O 3.5Å; A82-I90 VanDerWaalsContact CA-O 3.31Å; A82-I90 WeakPolarHBondContact CA-O 3.46Å; I83-I90 HydrophobicContact CB-CB 4.49Å; I83-I90 PolarHBondContact N-O 2.74Å; I83-I90 PolarHBondContact O-N 3.34Å; V85-I90 HydrophobicContact CG2-CD1 3.95Å; V85-I90 HydrophobicContact CG2-CG1 4.47Å; I90-M105 HydrophobicContact CB-CG 4.49Å; I90-M105 HydrophobicContact CG1-CG 4.11Å; I90-M105 HydrophobicContact CG2-CG 4.15Å
91F97.8Very high94.6Very high0 Ų057.6 Ų57.60%033%0.327CS..EExtended strand (participates in β ladder)trans-96.2127.3175.7-68.6-89.4000110V22 V23 V26 L80 K81 A82 L89 D103 L104 V106 L138V22-F91 HydrophobicContact CG1-CE2 3.83Å; V22-F91 HydrophobicContact CG1-CZ 3.8Å; V23-F91 HydrophobicContact CG2-CE1 4.08Å; V23-F91 HydrophobicContact CG2-CZ 4.08Å; V26-F91 HydrophobicContact CB-CD1 4.45Å; V26-F91 HydrophobicContact CB-CE1 3.96Å; V26-F91 HydrophobicContact CB-CZ 4.33Å; V26-F91 HydrophobicContact CG1-CD1 4.1Å; V26-F91 HydrophobicContact CG1-CE1 4.1Å; V26-F91 HydrophobicContact CG2-CD1 4.26Å; V26-F91 HydrophobicContact CG2-CE1 3.77Å; V26-F91 HydrophobicContact CG2-CE2 4.1Å; V26-F91 HydrophobicContact CG2-CZ 3.69Å; L80-F91 HydrophobicContact CD1-CB 4.47Å; L80-F91 HydrophobicContact CD1-CD1 4.21Å; K81-F91 CarbonylContact O-C 3.49Å; K81-F91 VanDerWaalsContact O-CA 3.29Å; K81-F91 WeakPolarHBondContact O-CA 3.38Å; A82-F91 HydrophobicContact CB-CD1 3.56Å; A82-F91 HydrophobicContact CB-CE1 3.41Å; A82-F91 VanDerWaalsContact CB-CE1 3.41Å; A82-F91 HydrophobicContact CB-CG 4.32Å; A82-F91 HydrophobicContact CB-CZ 4.05Å; L89-F91 HydrophobicContact CB-CD2 4.37Å; L89-F91 HydrophobicContact CB-CE2 3.74Å; L89-F91 HydrophobicContact CB-CZ 4.31Å; L89-F91 HydrophobicContact CD1-CE2 4.33Å; L89-F91 HydrophobicContact CD1-CZ 4.21Å; F91-D103 CarbonylContact O-C 3.58Å; F91-D103 WeakPolarHBondContact O-CA 3.45Å; F91-L104 HydrophobicContact CB-CB 4.28Å; F91-L104 PolarHBondContact N-O 3.17Å; F91-L104 PolarHBondContact O-N 3.36Å; F91-V106 HydrophobicContact CD2-CG2 4.04Å; F91-V106 HydrophobicContact CE2-CB 4.33Å; F91-V106 HydrophobicContact CE2-CG2 3.99Å; F91-L138 HydrophobicContact CB-CD1 3.98Å; F91-L138 HydrophobicContact CB-CD2 4.2Å
92N97.1Very high94.5Very high43 Ų4356.3 Ų56.323%0.2333%0.326CS..EExtended strand (participates in β ladder)trans-121.8123172.8-56.2-25000108.2L80 K81 V101 S102 D103L80-N92 CarbonylContact C-O 3.53Å; L80-N92 WeakPolarHBondContact CA-O 3.33Å; K81-N92 PolarHBondContact N-O 2.84Å; K81-N92 PolarHBondContact O-N 2.77Å; N92-V101 HydrophobicContact CB-CG1 4.37Å; N92-S102 CarbonylContact C-O 3.45Å; N92-S102 WeakPolarHBondContact CA-O 3.46Å; N92-D103 WeakPolarHBondContact CB-OD1 3.3Å; N92-D103 VanDerWaalsContact CG-OD1 3.23Å; N92-D103 PolarHBondContact OD1-OD1 3.39Å
93L96.4Very high94.4Very high5 Ų560.4 Ų60.43%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-110.9113.2176.2-177.267.7000109.1M30 M78 V79 L80 V101 S102 L138 L139M30-L93 HydrophobicContact CE-CD1 3.67Å; M30-L93 HydrophobicContact CE-CD2 3.96Å; M30-L93 HydrophobicContact SD-CD2 4.19Å; M78-L93 HydrophobicContact CB-CD1 3.89Å; V79-L93 WeakPolarHBondContact O-CA 3.44Å; L80-L93 HydrophobicContact CB-CD1 3.95Å; L80-L93 HydrophobicContact CD1-CB 4.12Å; L80-L93 HydrophobicContact CD1-CD1 4.09Å; L93-V101 WeakPolarHBondContact O-CA 3.45Å; L93-S102 PolarHBondContact N-O 3.34Å; L93-S102 PolarHBondContact O-N 3.4Å; L93-L138 HydrophobicContact CB-CD1 3.68Å; L93-L138 HydrophobicContact CB-CG 4.11Å; L93-L138 HydrophobicContact CD2-CG 4.44Å; L93-L138 WeakPolarHBondContact CD2-O 3.45Å; L93-L139 HydrophobicContact CD2-CD2 4.44Å
94M95.1Very high94.4Very high77 Ų7757.6 Ų57.638%0.37933%0.333SS..EExtended strand (participates in β ladder)trans-105.8131.4179180-178.8-7000111.1M78 V79 Q100 V101M78-M94 CarbonylContact C-O 3.56Å; M78-M94 VanDerWaalsContact CA-O 3.27Å; M78-M94 WeakPolarHBondContact CA-O 3.22Å; V79-M94 PolarHBondContact N-O 3.14Å; V79-M94 PolarHBondContact O-N 3.27Å; M94-Q100 WeakPolarHBondContact CA-O 3.43Å; M94-V101 HydrophobicContact CB-CG2 4.1Å; M94-V101 HydrophobicContact CE-CG2 3.61Å; M94-V101 HydrophobicContact CG-CG2 3.99Å
95N93.4Very high94.4Very high25 Ų2562.8 Ų62.813%0.13436%0.355CS..EExtended strand (participates in β ladder)trans-82.1115.9164.9-176.1-35.8000109.8M78 G97 T98 K99 Q100M78-N95 HydrophobicContact CE-CB 4.08Å; M78-N95 WeakPolarHBondContact CE-ND2 3.42Å; M78-N95 WeakPolarHBondContact SD-CA 3.44Å; M78-N95 HydrophobicContact SD-CB 3.51Å; M78-N95 VanDerWaalsContact SD-CB 3.51Å; N95-G97 PolarHBondContact O-N 3.37Å; N95-G97 WeakPolarHBondContact OD1-CA 3.49Å; N95-G97 PolarHBondContact OD1-N 3.48Å; N95-T98 VanDerWaalsContact CB-OG1 3.32Å; N95-T98 WeakPolarHBondContact CB-OG1 3.32Å; N95-T98 VanDerWaalsContact CG-OG1 3.24Å; N95-T98 PolarHBondContact ND2-OG1 3.22Å; N95-T98 PolarHBondContact OD1-N 2.79Å; N95-T98 VanDerWaalsContact OD1-N 3.14Å; N95-K99 WeakPolarHBondContact O-CA 3.28Å; N95-K99 PolarHBondContact O-N 2.78Å; N95-Q100 PolarHBondContact N-O 2.9Å
96S90.6Very high94.4Very high41 Ų4159.9 Ų59.929%0.28734%0.337SS..THydrogen-bonded Turntrans-64.8-26-177.2-67.30000113.7V77 K99V77-S96 VanDerWaalsContact O-CB 3.26Å; V77-S96 WeakPolarHBondContact O-CB 3.5Å; V77-S96 PolarHBondContact O-N 3.22Å; V77-S96 PolarHBondContact O-OG 3.04Å; S96-K99 VanDerWaalsContact O-CE 3.3Å; S96-K99 WeakPolarHBondContact O-CE 3.32Å; S96-K99 PolarHBondContact O-NZ 2.88Å
97G89.3Confident94.6Very high60 Ų6055.1 Ų55.162%0.61931%0.312SS*.THydrogen-bonded Turntrans-82.2-51.5179.500000113N95N95-G97 PolarHBondContact O-N 3.37Å; N95-G97 WeakPolarHBondContact OD1-CA 3.49Å; N95-G97 PolarHBondContact OD1-N 3.48Å
98T90.8Very high94.7Very high78 Ų7852.3 Ų52.348%0.47929%0.291SS..THydrogen-bonded Turntrans-88.5-12.3-177.664.70000113.7N95 Q100N95-T98 VanDerWaalsContact CB-OG1 3.32Å; N95-T98 WeakPolarHBondContact CB-OG1 3.32Å; N95-T98 VanDerWaalsContact CG-OG1 3.24Å; N95-T98 PolarHBondContact ND2-OG1 3.22Å; N95-T98 PolarHBondContact OD1-N 2.79Å; N95-T98 VanDerWaalsContact OD1-N 3.14Å; T98-Q100 PolarHBondContact O-N 3.13Å; T98-Q100 VanDerWaalsContact O-N 3.1Å; T98-Q100 PolarHBondContact OG1-N 2.83Å
99K91.9Very high94.5Very high140 Ų14052.3 Ų52.361%0.60930%0.3SS*.  trans58.712.2-172-53.1-55.8-172.1-166.30114.5N95 S96N95-K99 WeakPolarHBondContact O-CA 3.28Å; N95-K99 PolarHBondContact O-N 2.78Å; S96-K99 VanDerWaalsContact O-CE 3.3Å; S96-K99 WeakPolarHBondContact O-CE 3.32Å; S96-K99 PolarHBondContact O-NZ 2.88Å
100Q92.9Very high94.2Very high139 Ų13956.8 Ų56.865%0.6532%0.324SS*.  trans-68.4141.7171.4-69.3178.9-5.300109.8M94 N95 T98M94-Q100 WeakPolarHBondContact CA-O 3.43Å; N95-Q100 PolarHBondContact N-O 2.9Å; T98-Q100 PolarHBondContact O-N 3.13Å; T98-Q100 VanDerWaalsContact O-N 3.1Å; T98-Q100 PolarHBondContact OG1-N 2.83Å
101V94.9Very high93.9Very high67 Ų6755.1 Ų55.141%0.40632%0.315SS..EExtended strand (participates in β ladder)trans-126.7136.3179.8-172.60000108.5N92 L93 M94 D103N92-V101 HydrophobicContact CB-CG1 4.37Å; L93-V101 WeakPolarHBondContact O-CA 3.45Å; M94-V101 HydrophobicContact CB-CG2 4.1Å; M94-V101 HydrophobicContact CE-CG2 3.61Å; M94-V101 HydrophobicContact CG-CG2 3.99Å; V101-D103 WeakPolarHBondContact CG1-OD1 3.5Å
102S95.8Very high93.6Very high37 Ų3755.2 Ų55.226%0.25932%0.316SS..EExtended strand (participates in β ladder)trans-119.7139.2171.5-60.20000109.1N92 L93 L138N92-S102 CarbonylContact C-O 3.45Å; N92-S102 WeakPolarHBondContact CA-O 3.46Å; L93-S102 PolarHBondContact N-O 3.34Å; L93-S102 PolarHBondContact O-N 3.4Å; S102-L138 VanDerWaalsContact CB-O 3.23Å; S102-L138 WeakPolarHBondContact CB-O 3.36Å
103D95.4Very high93.3Very high88 Ų8854.5 Ų54.547%0.47131%0.312SS..EExtended strand (participates in β ladder)trans-124.7146.3-175-48.1-54.6000111.4F91 N92 V101F91-D103 CarbonylContact O-C 3.58Å; F91-D103 WeakPolarHBondContact O-CA 3.45Å; N92-D103 WeakPolarHBondContact CB-OD1 3.3Å; N92-D103 VanDerWaalsContact CG-OD1 3.23Å; N92-D103 PolarHBondContact OD1-OD1 3.39Å; V101-D103 WeakPolarHBondContact CG1-OD1 3.5Å
104L96.6Very high93Very high2 Ų256.9 Ų56.91%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-142.5127.8176.416867000109.7F91 V106 K133 V134 Q137 L138F91-L104 HydrophobicContact CB-CB 4.28Å; F91-L104 PolarHBondContact N-O 3.17Å; F91-L104 PolarHBondContact O-N 3.36Å; L104-V106 HydrophobicContact CD1-CG2 4.27Å; L104-V106 HydrophobicContact CD2-CG2 3.89Å; L104-V106 HydrophobicContact CG-CG2 3.79Å; L104-K133 HydrophobicContact CD1-CB 4.17Å; L104-V134 HydrophobicContact CD2-CB 4.45Å; L104-V134 HydrophobicContact CD2-CG2 3.72Å; L104-Q137 HydrophobicContact CD1-CB 4.27Å; L104-Q137 VanDerWaalsContact CD1-OE1 3.26Å; L104-L138 HydrophobicContact CB-CB 4.2Å; L104-L138 HydrophobicContact CB-CD1 4.22Å; L104-L138 HydrophobicContact CD2-CB 4.32Å
105M96.6Very high92.7Very high136 Ų13660.4 Ų60.467%0.6735%0.352SS*.EExtended strand (participates in β ladder)trans-103.1129.9172.7-67.3-174.4-81.600110.8T88 I90T88-M105 HydrophobicContact CG2-CB 4.3Å; I90-M105 HydrophobicContact CB-CG 4.49Å; I90-M105 HydrophobicContact CG1-CG 4.11Å; I90-M105 HydrophobicContact CG2-CG 4.15Å
106V96Very high92.4Very high6 Ų662.9 Ų62.94%0.03636%0.363CS..EExtended strand (participates in β ladder)trans-126.8117.2-178.3-175.20000109.5V22 T88 L89 F91 L104 V108 Q111 L130V22-V106 HydrophobicContact CG1-CB 4.48Å; V22-V106 HydrophobicContact CG1-CG1 4.07Å; T88-V106 CarbonylContact C-O 3.5Å; T88-V106 WeakPolarHBondContact CA-O 3.45Å; L89-V106 PolarHBondContact N-O 3.42Å; L89-V106 PolarHBondContact O-N 3.15Å; F91-V106 HydrophobicContact CD2-CG2 4.04Å; F91-V106 HydrophobicContact CE2-CB 4.33Å; F91-V106 HydrophobicContact CE2-CG2 3.99Å; L104-V106 HydrophobicContact CD1-CG2 4.27Å; L104-V106 HydrophobicContact CD2-CG2 3.89Å; L104-V106 HydrophobicContact CG-CG2 3.79Å; V106-V108 PolarHBondContact O-N 2.87Å; V106-Q111 HydrophobicContact CG1-CB 4.4Å; V106-Q111 HydrophobicContact CG1-CG 3.55Å; V106-L130 HydrophobicContact CG1-CD1 4Å; V106-L130 HydrophobicContact CG2-CD1 4.09Å
107N95.3Very high92.3Very high55 Ų5561.8 Ų61.829%0.29435%0.354SS..EExtended strand (participates in β ladder)trans-74.8120.2167.7-176.5-0.1000109.3S87 G109 D110 Q111S87-N107 PolarHBondContact O-OD1 3.46Å; N107-G109 PolarHBondContact O-N 2.85Å; N107-G109 PolarHBondContact OD1-N 2.8Å; N107-D110 HydrophobicContact CB-CB 4.39Å; N107-D110 WeakPolarHBondContact CB-OD2 3.31Å; N107-D110 VanDerWaalsContact ND2-CG 3.32Å; N107-D110 PolarHBondContact ND2-OD1 2.96Å; N107-D110 PolarHBondContact ND2-OD2 2.9Å; N107-D110 PolarHBondContact O-N 2.88Å; N107-Q111 WeakPolarHBondContact O-CG 3.38Å
108V93.5Very high92Very high9 Ų966 Ų666%0.05536%0.357CS..Hα-helixtrans-67.3-37.7-171.9-178.60000111.4P18 Q19 V22 S87 L89 V106 D110 Q111 V112P18-V108 HydrophobicContact CB-CG1 3.43Å; P18-V108 VanDerWaalsContact CB-CG1 3.43Å; Q19-V108 HydrophobicContact CG-CG2 4.34Å; V22-V108 HydrophobicContact CG2-CG1 4.33Å; S87-V108 WeakPolarHBondContact O-CB 3.25Å; S87-V108 WeakPolarHBondContact O-CG2 3.43Å; S87-V108 PolarHBondContact O-N 2.86Å; L89-V108 HydrophobicContact CB-CG2 4.44Å; L89-V108 HydrophobicContact CD1-CG2 3.91Å; L89-V108 HydrophobicContact CG-CG2 3.95Å; V106-V108 PolarHBondContact O-N 2.87Å; V108-D110 VanDerWaalsContact C-N 3.28Å; V108-D110 PolarHBondContact O-N 2.78Å; V108-Q111 PolarHBondContact O-N 2.85Å; V108-V112 PolarHBondContact O-N 3.35Å
109G90.6Very high91.9Very high43 Ų4365.6 Ų65.644%0.44336%0.355SS..Hα-helixtrans-65.5-30.2-17900000113.8N107 Q111 R125N107-G109 PolarHBondContact O-N 2.85Å; N107-G109 PolarHBondContact OD1-N 2.8Å; G109-Q111 VanDerWaalsContact C-N 3.35Å; G109-R125 PolarHBondContact O-NE 2.83Å; G109-R125 VanDerWaalsContact O-NE 3.08Å
110D91.4Very high91.7Very high95 Ų9561 Ų6151%0.50834%0.335SS..Hα-helixtrans-77.8-24.4-179.1-60.8-19.1000112N107 V108N107-D110 HydrophobicContact CB-CB 4.39Å; N107-D110 WeakPolarHBondContact CB-OD2 3.31Å; N107-D110 VanDerWaalsContact ND2-CG 3.32Å; N107-D110 PolarHBondContact ND2-OD1 2.96Å; N107-D110 PolarHBondContact ND2-OD2 2.9Å; N107-D110 PolarHBondContact O-N 2.88Å; V108-D110 VanDerWaalsContact C-N 3.28Å; V108-D110 PolarHBondContact O-N 2.78Å
111Q89.5Confident91.4Very high11 Ų1161.2 Ų61.25%0.05134%0.341CS..Hα-helixtrans-105.3-33.3-172.8-57-54.2-47.400113.2V106 N107 V108 G109 F124 R125 D126 L130V106-Q111 HydrophobicContact CG1-CB 4.4Å; V106-Q111 HydrophobicContact CG1-CG 3.55Å; N107-Q111 WeakPolarHBondContact O-CG 3.38Å; V108-Q111 PolarHBondContact O-N 2.85Å; G109-Q111 VanDerWaalsContact C-N 3.35Å; Q111-F124 WeakPolarHBondContact O-CA 3.43Å; Q111-R125 PolarHBondContact O-N 3.4Å; Q111-D126 PolarHBondContact OE1-O 3.44Å; Q111-L130 HydrophobicContact CB-CD2 4.42Å; Q111-L130 HydrophobicContact CG-CD1 4.31Å
112V92.8Very high91.1Very high3 Ų359.6 Ų59.62%0.01833%0.332CS..BIsolated β-bridgetrans-121.5142.6-171.7179.40000111.5P18 A21 V22 V108 L117 V123 F124 R125P18-V112 HydrophobicContact CB-CB 4.38Å; P18-V112 HydrophobicContact CB-CG1 3.96Å; A21-V112 HydrophobicContact CB-CG1 4.23Å; A21-V112 HydrophobicContact CB-CG2 4.35Å; V22-V112 HydrophobicContact CG2-CG2 3.5Å; V108-V112 PolarHBondContact O-N 3.35Å; V112-L117 HydrophobicContact CG1-CD2 3.78Å; V112-V123 CarbonylContact C-O 3.47Å; V112-V123 VanDerWaalsContact CA-O 3.3Å; V112-V123 WeakPolarHBondContact CA-O 3.31Å; V112-V123 HydrophobicContact CG1-CG1 4.11Å; V112-F124 HydrophobicContact CG2-CD1 4.24Å; V112-F124 HydrophobicContact CG2-CE1 4.28Å; V112-R125 PolarHBondContact O-NE 3.2Å
113N91.6Very high91Very high28 Ų2857.8 Ų57.815%0.1532%0.32CS..  trans-93.9103.5169.6-1682.7000110.5D115 Q116 S122 V123N113-D115 PolarHBondContact O-N 3.37Å; N113-Q116 PolarHBondContact ND2-OE1 3.46Å; N113-Q116 PolarHBondContact O-N 3.19Å; N113-S122 WeakPolarHBondContact CB-O 3.26Å; N113-V123 PolarHBondContact N-O 2.95Å
114A89Confident90.8Very high54 Ų5454.8 Ų54.845%0.44630%0.303SS..G310 helixtrans-62.7-25.8-176.600000113.8P18 Q116 L117P18-A114 HydrophobicContact CG-CB 3.61Å; A114-Q116 VanDerWaalsContact C-N 3.3Å; A114-Q116 PolarHBondContact O-N 2.82Å; A114-L117 WeakPolarHBondContact O-CG 3.4Å
115D88.2Confident90.6Very high151 Ų15161.8 Ų61.881%0.80733%0.329SS*.G310 helixtrans-79.9-15.4-178.7-59.3-34000112.7N113N113-D115 PolarHBondContact O-N 3.37Å
116Q87.8Confident90.2Very high78 Ų7858.9 Ų58.936%0.36432%0.316SS..G310 helixtrans-123.932.9-173.6-62.7-166.2-55.700112.9N113 A114 H118 T119 S122 V123N113-Q116 PolarHBondContact ND2-OE1 3.46Å; N113-Q116 PolarHBondContact O-N 3.19Å; A114-Q116 VanDerWaalsContact C-N 3.3Å; A114-Q116 PolarHBondContact O-N 2.82Å; Q116-H118 PolarHBondContact O-N 2.93Å; Q116-H118 VanDerWaalsContact O-N 3.08Å; Q116-T119 PolarHBondContact O-N 3.3Å; Q116-S122 WeakPolarHBondContact CB-OG 3.32Å; Q116-S122 PolarHBondContact OE1-OG 3.12Å; Q116-V123 WeakPolarHBondContact O-CG2 3.48Å
117L87.6Confident90Very high18 Ų1859.3 Ų59.39%0.09432%0.32CS..THydrogen-bonded Turntrans-56.5-27.2-178.3-68.6173.2000114.3Y8 P18 A21 V112 A114 V123Y8-L117 WeakPolarHBondContact CE1-O 3.4Å; Y8-L117 PolarHBondContact OH-O 3.36Å; P18-L117 HydrophobicContact CB-CD2 4.27Å; P18-L117 HydrophobicContact CG-CD1 4.23Å; P18-L117 HydrophobicContact CG-CD2 4.22Å; A21-L117 HydrophobicContact CB-CD2 4.39Å; V112-L117 HydrophobicContact CG1-CD2 3.78Å; A114-L117 WeakPolarHBondContact O-CG 3.4Å; L117-V123 WeakPolarHBondContact O-CG2 3.49Å
118H84.8Confident89.9Confident147 Ų14761.7 Ų61.768%0.68133%0.333SS*.THydrogen-bonded Turntrans-94.2-0.9-179.5-57.2-62.3000113.8Q116Q116-H118 PolarHBondContact O-N 2.93Å; Q116-H118 VanDerWaalsContact O-N 3.08Å
119T88.9Confident89.8Confident70 Ų7061.9 Ų61.943%0.42934%0.337SS..  trans-113.291.1-178.8-54.60000109.9Q116 D121 S122 V123Q116-T119 PolarHBondContact O-N 3.3Å; T119-D121 VanDerWaalsContact C-N 3.26Å; T119-D121 PolarHBondContact O-N 3.12Å; T119-D121 VanDerWaalsContact O-N 3.08Å; T119-S122 PolarHBondContact O-N 2.8Å; T119-S122 PolarHBondContact O-OG 3.5Å; T119-V123 VanDerWaalsContact O-CG2 3.3Å; T119-V123 WeakPolarHBondContact O-CG2 3.43Å; T119-V123 PolarHBondContact O-N 2.7Å
120F86.3Confident89.9Confident44 Ų4459.9 Ų59.919%0.19332%0.316CS..Hα-helixtrans-45.9-46.3-172.1177.6-103.6000114.3L4 E5 Y8 S122 V123 F124L4-F120 HydrophobicContact CB-CE2 4.49Å; L4-F120 HydrophobicContact CB-CZ 4.21Å; L4-F120 HydrophobicContact CD2-CE2 4Å; L4-F120 HydrophobicContact CD2-CZ 3.92Å; L4-F120 HydrophobicContact CG-CE2 3.77Å; L4-F120 HydrophobicContact CG-CZ 3.87Å; E5-F120 HydrophobicContact CB-CD1 3.85Å; E5-F120 HydrophobicContact CB-CE1 3.54Å; E5-F120 HydrophobicContact CB-CE2 4.37Å; E5-F120 HydrophobicContact CB-CG 4.37Å; E5-F120 HydrophobicContact CB-CZ 3.83Å; E5-F120 HydrophobicContact CG-CD1 3.69Å; E5-F120 HydrophobicContact CG-CE1 3.92Å; E5-F120 HydrophobicContact CG-CG 4.14Å; Y8-F120 HydrophobicContact CD1-CB 4.41Å; Y8-F120 AromaticContact CD1-CD2 3.91Å; Y8-F120 HydrophobicContact CD1-CD2 3.91Å; Y8-F120 HydrophobicContact CD2-CD2 4.3Å; Y8-F120 AromaticContact CG-CD2 3.72Å; Y8-F120 HydrophobicContact CG-CD2 3.72Å; Y8-F120 HydrophobicContact CG-CE2 4.26Å; F120-S122 PolarHBondContact O-N 3.2Å; F120-V123 PolarHBondContact O-N 2.9Å; F120-F124 HydrophobicContact CD2-CE2 4.39Å; F120-F124 HydrophobicContact CE2-CD2 4.34Å; F120-F124 AromaticContact CE2-CE2 4Å; F120-F124 HydrophobicContact CE2-CE2 4Å
121D87.1Confident90.1Very high144 Ų14455.8 Ų55.877%0.7730%0.295SS*.Hα-helixtrans-60.2-21.2-177.1-64.4-31.4000114.3T119T119-D121 VanDerWaalsContact C-N 3.26Å; T119-D121 PolarHBondContact O-N 3.12Å; T119-D121 VanDerWaalsContact O-N 3.08Å
122S89.1Confident90.3Very high32 Ų3261.9 Ų61.922%0.22432%0.323CS..Hα-helixtrans-125.81.7-175.869.10000114.3N113 Q116 T119 F120N113-S122 WeakPolarHBondContact CB-O 3.26Å; Q116-S122 WeakPolarHBondContact CB-OG 3.32Å; Q116-S122 PolarHBondContact OE1-OG 3.12Å; T119-S122 PolarHBondContact O-N 2.8Å; T119-S122 PolarHBondContact O-OG 3.5Å; F120-S122 PolarHBondContact O-N 3.2Å
123V92.3Very high90.4Very high0 Ų066.1 Ų66.10%034%0.342CS..Hα-helixtrans-60.5-46.8171.8167.70000110.5Y8 A21 V112 N113 Q116 L117 T119 F120Y8-V123 HydrophobicContact CE1-CG2 4.05Å; Y8-V123 HydrophobicContact CE2-CG1 4.12Å; Y8-V123 WeakPolarHBondContact OH-CG2 3.46Å; A21-V123 HydrophobicContact CB-CG1 4.08Å; V112-V123 CarbonylContact C-O 3.47Å; V112-V123 VanDerWaalsContact CA-O 3.3Å; V112-V123 WeakPolarHBondContact CA-O 3.31Å; V112-V123 HydrophobicContact CG1-CG1 4.11Å; N113-V123 PolarHBondContact N-O 2.95Å; Q116-V123 WeakPolarHBondContact O-CG2 3.48Å; L117-V123 WeakPolarHBondContact O-CG2 3.49Å; T119-V123 VanDerWaalsContact O-CG2 3.3Å; T119-V123 WeakPolarHBondContact O-CG2 3.43Å; T119-V123 PolarHBondContact O-N 2.7Å; F120-V123 PolarHBondContact O-N 2.9Å
124F91.6Very high90.5Very high25 Ų2564.8 Ų64.811%0.1133%0.334CS..BIsolated β-bridgetrans-99.8123.8-172.6-61.4-75.7000110.9L4 Y8 A21 F25 Q111 V112 F120 A127L4-F124 HydrophobicContact CD2-CE2 4.34Å; Y8-F124 HydrophobicContact CD2-CE2 4.12Å; Y8-F124 HydrophobicContact CD2-CZ 4.22Å; Y8-F124 HydrophobicContact CE2-CE2 4.08Å; Y8-F124 HydrophobicContact CE2-CZ 4.01Å; A21-F124 HydrophobicContact CB-CE1 4.49Å; A21-F124 HydrophobicContact CB-CZ 4.44Å; F25-F124 HydrophobicContact CB-CE1 3.87Å; F25-F124 HydrophobicContact CB-CZ 4.07Å; F25-F124 HydrophobicContact CD2-CD1 4.16Å; F25-F124 AromaticContact CD2-CE1 3.85Å; F25-F124 HydrophobicContact CD2-CE1 3.85Å; F25-F124 HydrophobicContact CD2-CE2 4.48Å; F25-F124 HydrophobicContact CD2-CZ 4.02Å; F25-F124 HydrophobicContact CG-CE1 4.19Å; Q111-F124 WeakPolarHBondContact O-CA 3.43Å; V112-F124 HydrophobicContact CG2-CD1 4.24Å; V112-F124 HydrophobicContact CG2-CE1 4.28Å; F120-F124 HydrophobicContact CD2-CE2 4.39Å; F120-F124 HydrophobicContact CE2-CD2 4.34Å; F120-F124 AromaticContact CE2-CE2 4Å; F120-F124 HydrophobicContact CE2-CE2 4Å; F124-A127 HydrophobicContact CB-CB 4.06Å
125R92.6Very high90.7Very high149 Ų14966.1 Ų66.156%0.56233%0.33SS*.SBendtrans-75.3-44.3177.5-60.3-179.6-172.4-83.3-2.2111.6G109 Q111 V112G109-R125 PolarHBondContact O-NE 2.83Å; G109-R125 VanDerWaalsContact O-NE 3.08Å; Q111-R125 PolarHBondContact O-N 3.4Å; V112-R125 PolarHBondContact O-NE 3.2Å
126D89.3Confident90.9Very high75 Ų7561.8 Ų61.840%0.40132%0.316SS..  trans-141.375.5-177.8-177.916.6000110.7Q111 D128 G129 L130Q111-D126 PolarHBondContact OE1-O 3.44Å; D126-D128 VanDerWaalsContact C-N 3.35Å; D126-G129 WeakPolarHBondContact OD1-CA 3.39Å; D126-G129 PolarHBondContact OD1-N 3.42Å; D126-G129 WeakPolarHBondContact OD2-CA 3.12Å; D126-L130 WeakPolarHBondContact O-CB 3.08Å; D126-L130 PolarHBondContact O-N 3.19Å; D126-L130 VanDerWaalsContact O-N 3.14Å
127A91.2Very high91.2Very high15 Ų1563.2 Ų63.212%0.12432%0.322CS..Hα-helixtrans-66.1-36.5-179.900000112.6M1 F25 F124 S131M1-A127 HydrophobicContact CE-CB 4.06Å; M1-A127 HydrophobicContact SD-CB 3.6Å; F25-A127 HydrophobicContact CE2-CB 4Å; F25-A127 WeakPolarHBondContact CZ-O 3.32Å; F124-A127 HydrophobicContact CB-CB 4.06Å; A127-S131 WeakPolarHBondContact O-CB 3.27Å; A127-S131 PolarHBondContact O-N 2.82Å
128D91.9Very high91.4Very high104 Ų10462.3 Ų62.356%0.55632%0.318SS*.Hα-helixtrans-71.6-44.8-178.1-68.2-42.5000111.1D126 L130 S131 E132D126-D128 VanDerWaalsContact C-N 3.35Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 2.99Å; D128-S131 WeakPolarHBondContact O-CB 3.47Å; D128-S131 PolarHBondContact O-N 3.28Å; D128-S131 VanDerWaalsContact O-N 3.16Å; D128-E132 PolarHBondContact O-N 3.01Å
129G92.7Very high91.7Very high14 Ų1455.9 Ų55.914%0.14429%0.288CS..Hα-helixtrans-63.2-37174.700000112.9D126 E132 K133D126-G129 WeakPolarHBondContact OD1-CA 3.39Å; D126-G129 PolarHBondContact OD1-N 3.42Å; D126-G129 WeakPolarHBondContact OD2-CA 3.12Å; G129-E132 PolarHBondContact O-N 3.44Å; G129-K133 WeakPolarHBondContact O-CG 3.43Å; G129-K133 PolarHBondContact O-N 2.84Å; G129-K133 VanDerWaalsContact O-N 3.07Å
130L93.4Very high91.5Very high1 Ų155.3 Ų55.31%0.00529%0.286CS..Hα-helixtrans-64.9-42.4172.4-172.957.5000111.8F25 V106 Q111 D126 D128 E132 K133 V134F25-L130 HydrophobicContact CB-CD2 4.36Å; F25-L130 HydrophobicContact CD1-CB 4.49Å; F25-L130 HydrophobicContact CD1-CD2 3.43Å; F25-L130 VanDerWaalsContact CD1-CD2 3.43Å; F25-L130 HydrophobicContact CD1-CG 3.71Å; F25-L130 HydrophobicContact CD2-CD2 4.36Å; F25-L130 HydrophobicContact CE1-CB 3.94Å; F25-L130 HydrophobicContact CE1-CD2 3.75Å; F25-L130 HydrophobicContact CE1-CG 3.58Å; F25-L130 HydrophobicContact CG-CD2 3.79Å; F25-L130 HydrophobicContact CZ-CB 4.2Å; F25-L130 HydrophobicContact CZ-CD2 4.34Å; F25-L130 HydrophobicContact CZ-CG 4.3Å; V106-L130 HydrophobicContact CG1-CD1 4Å; V106-L130 HydrophobicContact CG2-CD1 4.09Å; Q111-L130 HydrophobicContact CB-CD2 4.42Å; Q111-L130 HydrophobicContact CG-CD1 4.31Å; D126-L130 WeakPolarHBondContact O-CB 3.08Å; D126-L130 PolarHBondContact O-N 3.19Å; D126-L130 VanDerWaalsContact O-N 3.14Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 2.99Å; L130-E132 VanDerWaalsContact C-N 3.33Å; L130-E132 PolarHBondContact O-N 2.97Å; L130-K133 PolarHBondContact O-N 2.82Å; L130-V134 HydrophobicContact CD1-CG2 4.44Å; L130-V134 VanDerWaalsContact O-CG2 3.3Å; L130-V134 WeakPolarHBondContact O-CG2 3.34Å; L130-V134 PolarHBondContact O-N 3.22Å
131S94.1Very high91Very high9 Ų963 Ų636%0.06331%0.313CS..Hα-helixtrans-58.2-44.5176-175.50000111.7E29 A127 D128 V134 K135E29-S131 VanDerWaalsContact CD-OG 3.25Å; E29-S131 WeakPolarHBondContact OE1-CB 3.39Å; E29-S131 PolarHBondContact OE1-OG 2.9Å; A127-S131 WeakPolarHBondContact O-CB 3.27Å; A127-S131 PolarHBondContact O-N 2.82Å; D128-S131 WeakPolarHBondContact O-CB 3.47Å; D128-S131 PolarHBondContact O-N 3.28Å; D128-S131 VanDerWaalsContact O-N 3.16Å; S131-V134 PolarHBondContact O-N 3.08Å; S131-K135 WeakPolarHBondContact O-CG 3.3Å; S131-K135 PolarHBondContact O-N 2.94Å; S131-K135 WeakPolarHBondContact OG-CE 3.35Å; S131-K135 PolarHBondContact OG-NZ 3.36Å
132E93.8Very high89.8Confident139 Ų13961.9 Ų61.965%0.6531%0.314SS*.Hα-helixtrans-64.6-44.4177.7-71.1-173.917200112.3D128 G129 L130 V134 K135 A136D128-E132 PolarHBondContact O-N 3.01Å; G129-E132 PolarHBondContact O-N 3.44Å; L130-E132 VanDerWaalsContact C-N 3.33Å; L130-E132 PolarHBondContact O-N 2.97Å; E132-V134 PolarHBondContact O-N 3.22Å; E132-K135 PolarHBondContact O-N 3.26Å; E132-A136 VanDerWaalsContact O-CB 3.24Å; E132-A136 WeakPolarHBondContact O-CB 3.36Å; E132-A136 PolarHBondContact O-N 3.24Å
133K94.3Very high88Confident92 Ų9269.5 Ų69.540%0.435%0.346SS..Hα-helixtrans-59.4-45.6176.1-73.4174.4-175.1175.10112L104 G129 L130 K135 A136 Q137L104-K133 HydrophobicContact CD1-CB 4.17Å; G129-K133 WeakPolarHBondContact O-CG 3.43Å; G129-K133 PolarHBondContact O-N 2.84Å; G129-K133 VanDerWaalsContact O-N 3.07Å; L130-K133 PolarHBondContact O-N 2.82Å; K133-K135 PolarHBondContact O-N 2.91Å; K133-A136 PolarHBondContact O-N 2.86Å; K133-Q137 WeakPolarHBondContact O-CB 3.34Å; K133-Q137 PolarHBondContact O-N 2.7Å
134V95.1Very high85.8Confident0 Ų078.3 Ų78.30%038%0.384CS..Iπ-helixtrans-60.2-46.6177.8172.20000111V26 E29 L104 L130 S131 E132 L138 L139V26-V134 HydrophobicContact CG2-CG2 4.03Å; E29-V134 HydrophobicContact CB-CG1 3.79Å; E29-V134 HydrophobicContact CG-CG1 4.27Å; L104-V134 HydrophobicContact CD2-CB 4.45Å; L104-V134 HydrophobicContact CD2-CG2 3.72Å; L130-V134 HydrophobicContact CD1-CG2 4.44Å; L130-V134 VanDerWaalsContact O-CG2 3.3Å; L130-V134 WeakPolarHBondContact O-CG2 3.34Å; L130-V134 PolarHBondContact O-N 3.22Å; S131-V134 PolarHBondContact O-N 3.08Å; E132-V134 PolarHBondContact O-N 3.22Å; V134-L138 HydrophobicContact CG1-CB 4.41Å; V134-L138 HydrophobicContact CG1-CD2 4.28Å; V134-L138 WeakPolarHBondContact O-CA 3.44Å; V134-L138 VanDerWaalsContact O-CB 3.3Å; V134-L138 WeakPolarHBondContact O-CB 3.3Å; V134-L138 PolarHBondContact O-N 3.23Å; V134-L139 HydrophobicContact CG1-CG 4.35Å; V134-L139 PolarHBondContact O-N 3.48Å
135K92.8Very high83.3Confident81 Ų8180.8 Ų80.835%0.35241%0.41SS..Iπ-helixtrans-67.4-37.5178.9-69.7172.8-163.5147.80113.4E29 S131 E132 K133 L139E29-K135 WeakPolarHBondContact OE2-CE 3.07Å; S131-K135 WeakPolarHBondContact O-CG 3.3Å; S131-K135 PolarHBondContact O-N 2.94Å; S131-K135 WeakPolarHBondContact OG-CE 3.35Å; S131-K135 PolarHBondContact OG-NZ 3.36Å; E132-K135 PolarHBondContact O-N 3.26Å; K133-K135 PolarHBondContact O-N 2.91Å; K135-L139 HydrophobicContact CG-CD1 4.17Å
136A92.7Very high80.9Confident61 Ų6179.6 Ų79.650%0.50442%0.421SS..Iπ-helixtrans-79.4-35.4-174.100000113.2E132 K133E132-A136 VanDerWaalsContact O-CB 3.24Å; E132-A136 WeakPolarHBondContact O-CB 3.36Å; E132-A136 PolarHBondContact O-N 3.24Å; K133-A136 PolarHBondContact O-N 2.86Å
137Q92.9Very high78.7Confident107 Ų10784.2 Ų84.250%0.544%0.44SS..Iπ-helixtrans-109.4-40.5-171.5-59.5-174.811.200113.4L104 K133L104-Q137 HydrophobicContact CD1-CB 4.27Å; L104-Q137 VanDerWaalsContact CD1-OE1 3.26Å; K133-Q137 WeakPolarHBondContact O-CB 3.34Å; K133-Q137 PolarHBondContact O-N 2.7Å
138L92.3Very high76.3Confident0 Ų094.7 Ų94.70%048%0.477CS..Iπ-helixtrans-91.2-47-172.7-168.566.6000112.1V26 L80 F91 L93 S102 L104 V134V26-L138 HydrophobicContact CG1-CD2 3.69Å; L80-L138 HydrophobicContact CD1-CD1 4.36Å; L80-L138 HydrophobicContact CD1-CD2 4.01Å; F91-L138 HydrophobicContact CB-CD1 3.98Å; F91-L138 HydrophobicContact CB-CD2 4.2Å; L93-L138 HydrophobicContact CB-CD1 3.68Å; L93-L138 HydrophobicContact CB-CG 4.11Å; L93-L138 HydrophobicContact CD2-CG 4.44Å; L93-L138 WeakPolarHBondContact CD2-O 3.45Å; S102-L138 VanDerWaalsContact CB-O 3.23Å; S102-L138 WeakPolarHBondContact CB-O 3.36Å; L104-L138 HydrophobicContact CB-CB 4.2Å; L104-L138 HydrophobicContact CB-CD1 4.22Å; L104-L138 HydrophobicContact CD2-CB 4.32Å; V134-L138 HydrophobicContact CG1-CB 4.41Å; V134-L138 HydrophobicContact CG1-CD2 4.28Å; V134-L138 WeakPolarHBondContact O-CA 3.44Å; V134-L138 VanDerWaalsContact O-CB 3.3Å; V134-L138 WeakPolarHBondContact O-CB 3.3Å; V134-L138 PolarHBondContact O-N 3.23Å
139L91.1Very high73.8Confident11 Ų1195.2 Ų95.26%0.05849%0.488CS..SBendtrans-76.1139.3-176.9-63-177.9000111.8M30 N33 Y35 L93 V134 K135 R141M30-L139 HydrophobicContact CE-CD2 4.42Å; M30-L139 HydrophobicContact SD-CD2 3.32Å; M30-L139 WeakPolarHBondContact SD-CD2 3.37Å; N33-L139 HydrophobicContact CB-CD1 3.83Å; N33-L139 WeakPolarHBondContact ND2-CD1 3.42Å; Y35-L139 HydrophobicContact CE2-CD2 4.08Å; L93-L139 HydrophobicContact CD2-CD2 4.44Å; V134-L139 HydrophobicContact CG1-CG 4.35Å; V134-L139 PolarHBondContact O-N 3.48Å; K135-L139 HydrophobicContact CG-CD1 4.17Å; L139-R141 PolarHBondContact O-N 3.25Å
140P84.2Confident71.4Confident59 Ų59104.4 Ų104.438%0.38352%0.518SS..PPolyproline II helixtrans-56.8133171.5-20.130.5000110Y35 M78Y35-P140 WeakPolarHBondContact OH-CD 3.32Å; M78-P140 HydrophobicContact CE-CG 4.31Å
141R76.8Confident69.2Low205 Ų205115.9 Ų115.977%0.77456%0.562SS**PPolyproline II helixtrans-62.8133.2172.3-68.3-177.5-173.2-1681.5108L139 E143L139-R141 PolarHBondContact O-N 3.25Å; R141-E143 PolarHBondContact O-N 2.96Å; R141-E143 VanDerWaalsContact O-N 3.09Å
142P60.9Low66.5Low120 Ų120122.7 Ų122.778%0.77959%0.592SS**PPolyproline II helixtrans-56.4123.7170.423-30.5000107.2K144P142-K144 PolarHBondContact O-N 3.42Å
143E51.3Low64Low192 Ų192125.4 Ų125.490%0.89761%0.605SS**  trans-53.8111.4170.8-73.2-173.6164.500106.5R141 A145R141-E143 PolarHBondContact O-N 2.96Å; R141-E143 VanDerWaalsContact O-N 3.09Å; E143-A145 PolarHBondContact O-N 3.19Å; E143-A145 VanDerWaalsContact O-N 3.11Å
144K45.9Very low61.1Low185 Ų185124.5 Ų124.580%0.80462%0.622SS**  trans-57.3123.6165.9-74.5-174.4175.2-173.30105.3P142P142-K144 PolarHBondContact O-N 3.42Å
145A40.8Very low58.3Low78 Ų78133.3 Ų133.365%0.64566%0.663SS**  trans-43.9142.3170.100000108.8E143 E147E143-A145 PolarHBondContact O-N 3.19Å; E143-A145 VanDerWaalsContact O-N 3.11Å; A145-E147 PolarHBondContact O-N 3.34Å
146P42.3Very low55.6Low123 Ų123134.3 Ų134.380%0.79968%0.681SS**  trans-59.7103.7-177.324.1-32000107.9R148P146-R148 PolarHBondContact O-N 3.48Å
147E41.6Very low52.7Low173 Ų173137.3 Ų137.381%0.80870%0.698SS**  trans-61.498.3166.8-84.8179.7159.600105.1A145 S149A145-E147 PolarHBondContact O-N 3.34Å; E147-S149 PolarHBondContact O-N 2.93Å
148R40.7Very low50.4Low235 Ų235141.4 Ų141.489%0.88772%0.717SS**  trans-46.5114.9160.8-78.7178.9172.8-178.3-2105.6P146 R150P146-R148 PolarHBondContact O-N 3.48Å; R148-R150 VanDerWaalsContact C-N 3.28Å; R148-R150 PolarHBondContact O-N 2.97Å
149S41.2Very low47.6Very low114 Ų114152.8 Ų152.880%0.79776%0.76SS**  trans-49.993.2174.555.40000109.5E147 R151E147-S149 PolarHBondContact O-N 2.93Å; S149-R151 PolarHBondContact O-N 3.42Å
150R41.6Very low45.5Very low207 Ų207164.2 Ų164.278%0.78180%0.802SS**  trans-80.598.6168.8-167.5177.8-177.7172.3-2.4105.1R148 E152R148-R150 VanDerWaalsContact C-N 3.28Å; R148-R150 PolarHBondContact O-N 2.97Å; R150-E152 HydrophobicContact CG-CG 4.28Å; R150-E152 IonicContact CZ-OE1 3.74Å; R150-E152 IonicContact NE-OE1 2.7Å; R150-E152 PolarHBondContact NE-OE1 3.35Å; R150-E152 IonicContact NH2-OE1 3.2Å; R150-E152 PolarHBondContact O-N 2.89Å; R150-E152 VanDerWaalsContact O-N 3.14Å
151R46.4Very low43.3Very low242 Ų242167.8 Ų167.891%0.91382%0.823SS**  trans-56.4113.5161.8-77.9177.4173.8178.1-3.2106.9S149S149-R151 PolarHBondContact O-N 3.42Å
152E38.1Very low41.6Very low152 Ų152166.6 Ų166.671%0.7183%0.827SS**  trans-109.7116.9159.6-73.3-174.4172.600107.2R150R150-E152 HydrophobicContact CG-CG 4.28Å; R150-E152 IonicContact CZ-OE1 3.74Å; R150-E152 IonicContact NE-OE1 2.7Å; R150-E152 PolarHBondContact NE-OE1 3.35Å; R150-E152 IonicContact NH2-OE1 3.2Å; R150-E152 PolarHBondContact O-N 2.89Å; R150-E152 VanDerWaalsContact O-N 3.14Å
153E41.2Very low41Very low196 Ų196170.2 Ų170.292%0.91683%0.833SS**  trans-83.6138.6170.2-112173.7161.800109.4
154G33.5Very low40.6Very low74 Ų74168.8 Ų168.876%0.76383%0.832SS**  trans93.4134.8164.200000114.7
155E36.1Very low40.9Very low184 Ų184162.7 Ų162.786%0.8682%0.821SS**  cis-169.1143.24.3-138.6178.7141.700108.8
156S36.6Very low41.8Very low103 Ų103162.9 Ų162.972%0.7281%0.811SS**  trans61.1104.4151.271.20000121.3
157S32.3Very low42.6Very low123 Ų123163 Ų16386%0.8681%0.812SS**  -163.6120.9116.9-1000000111.5R159S157-R159 PolarHBondContact O-N 3.13Å
158Q42.7Very low43.2Very low194 Ų194161.8 Ų161.891%0.90781%0.81SS**  trans-54.3127.1173.5-68.5164.1-61.500111.1
159R35.2Very low43.8Very low239 Ų239160.2 Ų160.290%0.90280%0.804SS**  trans-151.2124.7139.5-104.3163.2-160.1-1635.1108.5S157 T161S157-R159 PolarHBondContact O-N 3.13Å; R159-T161 PolarHBondContact O-N 3.04Å
160R46.1Very low44.4Very low251 Ų251162.3 Ų162.395%0.94781%0.806SS**  trans-56.2125.4-176.1-63.3163.7177170.1-2.9109.8
161T38.6Very low45.2Very low133 Ų133157.5 Ų157.582%0.81680%0.802SS**  trans-124.9124.4155.9-57.60000106.8R159R159-T161 PolarHBondContact O-N 3.04Å
162E41.1Very low45.1Very low181 Ų181151.4 Ų151.485%0.84680%0.795SS**  trans-51.9132.2-177.4-68153.1158.800110.7D164E162-D164 VanDerWaalsContact C-N 3.33Å; E162-D164 PolarHBondContact O-N 3.35Å
163E47.4Very low45.5Very low195 Ų195155.3 Ų155.391%0.91180%0.803SS**  trans-65.295.7167-66.4177.1137.800107.5G165E163-G165 VanDerWaalsContact C-N 3.32Å; E163-G165 PolarHBondContact O-N 3.03Å
164D43.9Very low45.9Very low163 Ų163153.9 Ų153.987%0.87280%0.796SS**  trans-71.197166-160.618.9000107.3E162 D166E162-D164 VanDerWaalsContact C-N 3.33Å; E162-D164 PolarHBondContact O-N 3.35Å; D164-D166 PolarHBondContact O-N 3.11Å
165G51.4Low46.2Very low57 Ų57156.2 Ų156.259%0.58880%0.798SS**  trans-71.1117.2-175.200000110.9E163 P167E163-G165 VanDerWaalsContact C-N 3.32Å; E163-G165 PolarHBondContact O-N 3.03Å; G165-P167 VanDerWaalsContact O-CD 3.24Å; G165-P167 WeakPolarHBondContact O-CD 3.36Å; G165-P167 VanDerWaalsContact O-N 3.16Å
166D59.8Low46.6Very low81 Ų81159 Ų15943%0.43380%0.801SS.*  trans-57.2113.5162.8176.61.5000109.3D164 L168 R169D164-D166 PolarHBondContact O-N 3.11Å; D166-L168 PolarHBondContact O-N 3.41Å; D166-L168 PolarHBondContact OD1-N 3.29Å; D166-R169 HydrophobicContact CB-CG 4.27Å; D166-R169 PolarHBondContact O-N 3.03Å
167P58.8Low47.1Very low126 Ų126163.9 Ų163.982%0.81881%0.811SS**THydrogen-bonded Turntrans-68.3-0.7-176.428.8-34.8000113.7G165G165-P167 VanDerWaalsContact O-CD 3.24Å; G165-P167 WeakPolarHBondContact O-CD 3.36Å; G165-P167 VanDerWaalsContact O-N 3.16Å
168L55.5Low47.7Very low147 Ų147160.9 Ų160.977%0.7780%0.8SS**THydrogen-bonded Turntrans-106.13.4177.1-61.7178000114.2D166 L170D166-L168 PolarHBondContact O-N 3.41Å; D166-L168 PolarHBondContact OD1-N 3.29Å; L168-L170 PolarHBondContact O-N 3.37Å; L168-L170 VanDerWaalsContact O-N 3.13Å
169R52.4Low47.9Very low202 Ų202158.1 Ų158.176%0.76280%0.798SS**  trans-76.9102.1176.1-89.1-177.4171.1148.9-0.1112.1D166D166-R169 HydrophobicContact CB-CG 4.27Å; D166-R169 PolarHBondContact O-N 3.03Å
170L54Low48.2Very low158 Ų158155.1 Ų155.183%0.82780%0.795SS**  trans-71.9127.9162-73.5157.3000109.4L168 C172L168-L170 PolarHBondContact O-N 3.37Å; L168-L170 VanDerWaalsContact O-N 3.13Å; L170-C172 PolarHBondContact O-N 3.42Å
171P57.3Low48.1Very low107 Ų107147.8 Ų147.870%0.69578%0.78SS**  trans-67.4131.617625.2-31.2000110.5R173P171-R173 PolarHBondContact O-N 3.08Å
172C45.8Very low48.5Very low114 Ų114149.2 Ų149.277%0.7778%0.777SS**  trans-60.497.6173.3-72.70000110.6L170 H174L170-C172 PolarHBondContact O-N 3.42Å; C172-H174 PolarHBondContact O-N 3.37Å; C172-H174 VanDerWaalsContact O-N 3.1Å; C172-H174 PolarHBondContact O-ND1 3.16Å
173R45.3Very low48.7Very low233 Ų233150.7 Ų150.788%0.87978%0.775SS**  trans-71.4102.1170.1-68.6-176.3-179.3-174.30.7108.9P171P171-R173 PolarHBondContact O-N 3.08Å
174H50Low48.6Very low166 Ų166146.5 Ų146.577%0.76976%0.764SS**PPolyproline II helixtrans-69.7126.2164.6-74.541.6000108.5C172 R176C172-H174 PolarHBondContact O-N 3.37Å; C172-H174 VanDerWaalsContact O-N 3.1Å; C172-H174 PolarHBondContact O-ND1 3.16Å; H174-R176 PolarHBondContact O-N 3.21Å
175P40.8Very low48.6Very low123 Ų123145 Ų14580%0.79976%0.757SS**PPolyproline II helixtrans-73.2123.9174.71.712.9000109
176R44.4Very low48.4Very low244 Ų244147.9 Ų147.992%0.92176%0.764SS**PPolyproline II helixtrans-65.3131.9166.5-74.5-179.6170.5176.4-3108.9H174 G178H174-R176 PolarHBondContact O-N 3.21Å; R176-G178 PolarHBondContact O-N 3.17Å
177H45.5Very low47.9Very low205 Ų205150.8 Ų150.895%0.94978%0.779SS**PPolyproline II helixtrans-55.1118.9168.9-75.4-82.7000110.7
178G46Very low47.7Very low60 Ų60151.7 Ų151.762%0.61978%0.777SS**  trans-155.6160.5170.900000109.4R176 Q180R176-G178 PolarHBondContact O-N 3.17Å; G178-Q180 PolarHBondContact O-N 3.18Å
179P45.9Very low47.6Very low135 Ų135148.6 Ų148.688%0.87777%0.766SS**PPolyproline II helixtrans-69.4132.8-167.2-8.924.2000111.8
180Q42.6Very low47.6Very low176 Ų176144.6 Ų144.682%0.82277%0.766SS**PPolyproline II helixtrans-73139-174-151.3-159.722.500112.6G178G178-Q180 PolarHBondContact O-N 3.18Å
181P43.7Very low47.7Very low97 Ų97146 Ų14663%0.6377%0.766SS**PPolyproline II helixtrans-88.6143158.6133.5000111.4W183P181-W183 PolarHBondContact O-N 3.24Å
182H46.5Very low47.6Very low164 Ų164144.1 Ų144.176%0.75976%0.759SS**  trans-55.9114.4-178.6151.961.7000113.1
183W45.6Very low48Very low212 Ų212143.5 Ų143.580%0.80376%0.762SS**  trans-119.9141.7159.4-72.693.5000108.4P181P181-W183 PolarHBondContact O-N 3.24Å
184P46Very low48.4Very low106 Ų106135.2 Ų135.269%0.68875%0.75SS**  trans-63.4145.8175.9-16.529.7000112.1
185D44.1Very low48.8Very low133 Ų133129.6 Ų129.671%0.71174%0.737SS**  trans-44.9138.9-169.8-152.214.6000116.2L187D185-L187 PolarHBondContact O-N 2.8Å
186P46.7Very low49.6Very low116 Ų116126.9 Ų126.975%0.75373%0.725SS**  trans-93.840.8-171.438-29.8000113.4N188P186-N188 VanDerWaalsContact C-N 3.29Å; P186-N188 PolarHBondContact O-N 3.24Å
187L50Low50.1Low142 Ų142122.3 Ų122.374%0.74372%0.719SS**  trans-87.621.3-177.6-78.2173.6000115D185D185-L187 PolarHBondContact O-N 2.8Å
188N53.4Low50.9Low145 Ų145120 Ų12078%0.77571%0.712SS**  trans-15299.3167.7-13322.7000112.6P186P186-N188 VanDerWaalsContact C-N 3.29Å; P186-N188 PolarHBondContact O-N 3.24Å
189P53.5Low51.4Low83 Ų83121.6 Ų121.654%0.53971%0.707SS.*  trans-66.9138171.7-7.320.3000110.1F191 A192P189-F191 PolarHBondContact O-N 2.86Å; P189-A192 HydrophobicContact CB-CB 4.48Å; P189-A192 HydrophobicContact CG-CB 4.29Å; P189-A192 PolarHBondContact O-N 3Å
190P52.4Low51.9Low117 Ų117120.3 Ų120.376%0.7670%0.698SS**THydrogen-bonded Turntrans-70.15.7-175.627.4-33.1000114.8
191F55.3Low52.8Low189 Ų189121 Ų12183%0.82970%0.699SS**THydrogen-bonded Turntrans-136.523.5-178.3-60.6-73.4000113.6P189 A193P189-F191 PolarHBondContact O-N 2.86Å; F191-A193 PolarHBondContact O-N 3.07Å
192A55.8Low53.4Low67 Ų67118.9 Ų118.955%0.55470%0.695SS**  trans-77.744.7-179.100000113.9P189P189-A192 HydrophobicContact CB-CB 4.48Å; P189-A192 HydrophobicContact CG-CB 4.29Å; P189-A192 PolarHBondContact O-N 3Å
193A54.5Low53.7Low100 Ų100116.5 Ų116.583%0.82670%0.696SS**  trans-84.9122.6170.200000109.6F191F191-A193 PolarHBondContact O-N 3.07Å
194G54Low53.9Low60 Ų60113 Ų11362%0.61970%0.699SS**SBendtrans105.3-6.8175.800000116.2A196 D197G194-A196 PolarHBondContact O-N 3.19Å; G194-A196 VanDerWaalsContact O-N 3.14Å; G194-D197 PolarHBondContact O-N 2.62Å
195G59.2Low54.4Low48 Ų48112 Ų11250%0.49571%0.707SS.*G310 helixtrans-62.9-19.5178.400000114.8D197 L198G195-D197 VanDerWaalsContact C-N 3.26Å; G195-D197 PolarHBondContact O-N 2.92Å; G195-L198 PolarHBondContact O-N 3.48Å
196A56.7Low55Low66 Ų66109.7 Ų109.755%0.54572%0.715SS.*G310 helixtrans-71.5-14.8178.800000114.2G194G194-A196 PolarHBondContact O-N 3.19Å; G194-A196 VanDerWaalsContact O-N 3.14Å
197D54.8Low55.4Low148 Ų148107.4 Ų107.479%0.79171%0.712SS**G310 helixtrans-83.3-21.7177.4-167.546.5000112.4G194 G195G194-D197 PolarHBondContact O-N 2.62Å; G195-D197 VanDerWaalsContact C-N 3.26Å; G195-D197 PolarHBondContact O-N 2.92Å
198L62.6Low55.7Low155 Ų155103.7 Ų103.781%0.81271%0.708SS**SBendtrans-90.6-11-177.4-67.2171.2000113.4G195G195-L198 PolarHBondContact O-N 3.48Å
199D57.1Low55.6Low95 Ų95104 Ų10451%0.50871%0.707SS.*  trans-145.590.9-179.6-165.1-6.5000112.7F201 G202D199-F201 PolarHBondContact O-N 2.84Å; D199-F201 PolarHBondContact OD1-N 3.26Å; D199-G202 PolarHBondContact O-N 2.74Å; D199-G202 PolarHBondContact OD1-N 3.13Å
200P55.8Low55.7Low108 Ų108108.6 Ų108.670%0.70173%0.725SS**THydrogen-bonded Turntrans-74-4.9-176.429-33.6000114.3
201F62.2Low55.6Low190 Ų190110.9 Ų110.983%0.83373%0.727SS**THydrogen-bonded Turntrans-118.19.1176.4-63.9-73.6000113.4D199 S203D199-F201 PolarHBondContact O-N 2.84Å; D199-F201 PolarHBondContact OD1-N 3.26Å; F201-S203 PolarHBondContact O-N 3.23Å
202G54.3Low55.3Low53 Ų53105.4 Ų105.455%0.54671%0.707SS.*  trans-61.4107.5174.600000111.5D199D199-G202 PolarHBondContact O-N 2.74Å; D199-G202 PolarHBondContact OD1-N 3.13Å
203S53.4Low55Low113 Ų113107.8 Ų107.879%0.7972%0.717SS**  trans-80.8142.8179.6-149.30000111.4F201F201-S203 PolarHBondContact O-N 3.23Å
204V51Low55.1Low140 Ų140110.5 Ų110.585%0.84872%0.717SS**SBendtrans86.483.6166.1-162.90000116.3
205G55.4Low54.9Low84 Ų84117.6 Ų117.687%0.86673%0.725SS**SBendtrans100.494.9141.900000116.2
206G56.4Low54.6Low85 Ų85121 Ų12188%0.87674%0.741SS**  trans113.933.9158.100000116.5
207G54.9Low54.2Low67 Ų67120.2 Ų120.269%0.69174%0.739SS**  trans-97.9115.316700000110.5
208G56.9Low53.9Low65 Ų65122.6 Ų122.667%0.6774%0.743SS**  trans-148.8124.1167.300000108.4I210G208-I210 PolarHBondContact O-N 3.35Å
209M51.7Low53.1Low152 Ų152121.3 Ų121.375%0.74974%0.743SS**  trans-53.3136.5173.4-62-156.1-60.400109.2M211 D212M209-M211 PolarHBondContact O-N 2.75Å; M209-D212 PolarHBondContact O-N 3.03Å
210I54.7Low52.5Low178 Ų178128.4 Ų128.491%0.91376%0.763SS**SBendtrans-57.8-20176-75.1167.4000111.4G208G208-I210 PolarHBondContact O-N 3.35Å
211M51.3Low52.2Low165 Ų165129.4 Ų129.481%0.81377%0.773SS**  trans-12485.8169-68.8-160.8175.700111M209M209-M211 PolarHBondContact O-N 2.75Å
212D48.8Very low51.6Low74 Ų74123.8 Ų123.840%0.39677%0.768SS.*  trans-96.6109162.1-179.51.7000108.9M209 L214 R215M209-D212 PolarHBondContact O-N 3.03Å; D212-L214 PolarHBondContact O-N 3.36Å; D212-L214 PolarHBondContact OD1-N 2.94Å; D212-R215 HydrophobicContact CB-CB 4.12Å; D212-R215 PolarHBondContact O-N 3.08Å
213P49.3Very low51.1Low117 Ų117130.9 Ų130.976%0.7678%0.784SS**THydrogen-bonded Turntrans-70-7.7-178.428.4-32.5000113.4
214L56.6Low50.7Low158 Ų158130.6 Ų130.683%0.82777%0.774SS**THydrogen-bonded Turntrans-99.51.5177.5-63175.9000113.5D212D212-L214 PolarHBondContact O-N 3.36Å; D212-L214 PolarHBondContact OD1-N 2.94Å
215R49.8Very low50.4Low209 Ų209129.9 Ų129.979%0.78977%0.772SS**  trans-105.641179.8-136.2173.2-163.7-92.21.3113D212 G217D212-R215 HydrophobicContact CB-CB 4.12Å; D212-R215 PolarHBondContact O-N 3.08Å; R215-G217 PolarHBondContact O-N 2.59Å
216S52.1Low50.3Low120 Ų120130.1 Ų130.184%0.83976%0.761SS**THydrogen-bonded Turntrans-7031.7-177.658.20000115.8
217G48.8Very low50Low48 Ų48131.1 Ų131.150%0.49575%0.754SS.*THydrogen-bonded Turntrans-106.4-34.9-160.800000118.8R215R215-G217 PolarHBondContact O-N 2.59Å
218F48.2Very low49.6Very low199 Ų199131.3 Ų131.387%0.87376%0.756SS**  trans-149.4123.2-166.8-71.7-81.3000113.4
219P45.6Very low49.3Very low127 Ų127134 Ų13483%0.82575%0.753SS**PPolyproline II helixtrans-77.7125.4-177.129.7-30.8000111
220R45.6Very low49.1Very low244 Ų244132.9 Ų132.992%0.92176%0.758SS**PPolyproline II helixtrans-88.3120.7155.9-76.4-171.6173-174.9-1.3108.1G222R220-G222 PolarHBondContact O-N 3.35Å
221S48.9Very low49Very low130 Ų130130.5 Ų130.591%0.90975%0.747SS**SBendtrans-52.6127.5174.51710000111.7
222G50.4Low49.2Very low71 Ų71130 Ų13073%0.73275%0.746SS**  trans1395.8157.100000119R220R220-G222 PolarHBondContact O-N 3.35Å
223F43.2Very low49.6Very low203 Ų203131.3 Ų131.389%0.8975%0.752SS**  trans-119.4105.4177.3-127.2-93.9000110.9
224D45.2Very low50Low106 Ų106130 Ų13057%0.56774%0.744SS**  trans-85.4113.7169.3-179.7-2.4000108.9S226 S227D224-S226 PolarHBondContact O-N 3.39Å; D224-S226 VanDerWaalsContact O-N 3.14Å; D224-S226 WeakPolarHBondContact OD1-CB 3.38Å; D224-S226 PolarHBondContact OD1-N 3.41Å; D224-S226 VanDerWaalsContact OD1-N 3.08Å; D224-S227 PolarHBondContact O-OG 3.41Å
225P45Very low49.7Very low126 Ų126129.2 Ų129.282%0.81875%0.748SS**THydrogen-bonded Turntrans-75.96.1-175.233.1-34.1000113.7
226S53.4Low50.2Low89 Ų89123.1 Ų123.162%0.62275%0.75SS**THydrogen-bonded Turntrans-86.12.4176.1-171.80000114.9D224 G228D224-S226 PolarHBondContact O-N 3.39Å; D224-S226 VanDerWaalsContact O-N 3.14Å; D224-S226 WeakPolarHBondContact OD1-CB 3.38Å; D224-S226 PolarHBondContact OD1-N 3.41Å; D224-S226 VanDerWaalsContact OD1-N 3.08Å; S226-G228 VanDerWaalsContact C-N 3.28Å; S226-G228 PolarHBondContact O-N 3.07Å; S226-G228 VanDerWaalsContact O-N 3.16Å
227S49.6Very low50.9Low106 Ų106120 Ų12074%0.74173%0.732SS**  trans-89.134.5-171.8-50.30000114.4D224D224-S227 PolarHBondContact O-OG 3.41Å
228G47.3Very low51.5Low70 Ų70121 Ų12172%0.72273%0.728SS**  trans-109.834-172.200000115.4S226S226-G228 VanDerWaalsContact C-N 3.28Å; S226-G228 PolarHBondContact O-N 3.07Å; S226-G228 VanDerWaalsContact O-N 3.16Å
229I49.2Very low52.2Low121 Ų121115.8 Ų115.862%0.62172%0.715SS**  trans-119.1124.3177.5-52.8175000108.6D231I229-D231 HydrophobicContact CG2-CB 4.33Å; I229-D231 PolarHBondContact O-N 2.86Å
230P48.8Very low52.9Low129 Ų129116.4 Ų116.484%0.83872%0.719SS**  trans-86.149.3-168.538.5-37000111.9
231D51.4Low53.6Low128 Ų128108.7 Ų108.768%0.68471%0.714SS**  trans-106.9-3.6-172.7-107.85000114.4I229I229-D231 HydrophobicContact CG2-CB 4.33Å; I229-D231 PolarHBondContact O-N 2.86Å
232I55.2Low54.5Low156 Ų156105 Ų10580%0.869%0.692SS**SBendtrans-131.4108.6178.8-64.7171.8000108.6
233L57Low54.8Low101 Ų101113.7 Ų113.753%0.52970%0.703SS.*PPolyproline II helixtrans-63.5143.9170.7-69.6173.3000109.7A237 V238L233-A237 HydrophobicContact CB-CB 3.93Å; L233-V238 HydrophobicContact CD1-CG2 4Å
234P58.8Low55.3Low90 Ų90110.2 Ų110.258%0.58469%0.687SS**PPolyproline II helixtrans-54.1145.3176.8-20.428.8000111.7G236 A237P234-G236 PolarHBondContact O-N 2.86Å; P234-A237 VanDerWaalsContact O-CB 3.23Å; P234-A237 WeakPolarHBondContact O-CB 3.45Å; P234-A237 PolarHBondContact O-N 3.41Å; P234-A237 VanDerWaalsContact O-N 3.08Å
235P50.8Low56Low140 Ų140111.6 Ų111.691%0.90970%0.695SS**THydrogen-bonded Turntrans-53.8124.6177.9-23.432.1000111.5
236G60.1Low56.7Low81 Ų81109.7 Ų109.784%0.83568%0.682SS**THydrogen-bonded Turntrans96.9-2.2-178.500000115.7P234 V238P234-G236 PolarHBondContact O-N 2.86Å; G236-V238 PolarHBondContact O-N 3.19Å
237A65.3Low56.5Low55 Ų55113.7 Ų113.746%0.45569%0.689SS.*  trans-71.6-10.9178.100000114.7L233 P234L233-A237 HydrophobicContact CB-CB 3.93Å; P234-A237 VanDerWaalsContact O-CB 3.23Å; P234-A237 WeakPolarHBondContact O-CB 3.45Å; P234-A237 PolarHBondContact O-N 3.41Å; P234-A237 VanDerWaalsContact O-N 3.08Å
238V62.6Low56.6Low68 Ų68111.1 Ų111.141%0.41268%0.68SS.*SBendtrans-118.6116-179.1-174.40000110.4L233 G236 A242L233-V238 HydrophobicContact CD1-CG2 4Å; G236-V238 PolarHBondContact O-N 3.19Å; V238-A242 HydrophobicContact CG1-CB 3.85Å
239P63.1Low56.5Low91 Ų91114.1 Ų114.159%0.59169%0.686SS**  trans-64.8144.4177-21.432.6000112.6G241 A242P239-G241 PolarHBondContact O-N 2.83Å; P239-G241 VanDerWaalsContact O-N 3.16Å; P239-A242 PolarHBondContact O-N 3.37Å; P239-A242 VanDerWaalsContact O-N 3.17Å
240P59.2Low56.6Low140 Ų140117 Ų11791%0.90970%0.699SS**THydrogen-bonded Turntrans-60.1120.1178.222.5-30.7000110.7
241G61.9Low56.8Low81 Ų81114.3 Ų114.384%0.83570%0.695SS**THydrogen-bonded Turntrans106.1-5.8-17900000115.4P239 R243P239-G241 PolarHBondContact O-N 2.83Å; P239-G241 VanDerWaalsContact O-N 3.16Å; G241-R243 PolarHBondContact O-N 3.08Å
242A67.2Low56.8Low53 Ų53119 Ų11944%0.43870%0.703SS.*  trans-71.2126.1173.200000111V238 P239 F244V238-A242 HydrophobicContact CG1-CB 3.85Å; P239-A242 PolarHBondContact O-N 3.37Å; P239-A242 VanDerWaalsContact O-N 3.17Å; A242-F244 PolarHBondContact O-N 3.12Å
243R56.9Low56.4Low254 Ų254120.3 Ų120.396%0.95871%0.705SS**  trans-88.992.5169.5-68.4-176.7169.9-156.5-3.2108.1G241G241-R243 PolarHBondContact O-N 3.08Å
244F53.4Low55.8Low129 Ų129127.2 Ų127.257%0.56672%0.724SS**PPolyproline II helixtrans-91.6127.2177.8-141.2-90.8000109.7A242 F247A242-F244 PolarHBondContact O-N 3.12Å; F244-F247 HydrophobicContact CE1-CD2 4.19Å; F244-F247 AromaticContact CE1-CE2 3.76Å; F244-F247 HydrophobicContact CE1-CE2 3.76Å; F244-F247 HydrophobicContact CZ-CE2 4.2Å
245D59.2Low55.2Low136 Ų136128.2 Ų128.273%0.72773%0.731SS**PPolyproline II helixtrans-85.8124.4173.6-167.621.7000108.2F247D245-F247 PolarHBondContact O-N 2.74Å
246P59.5Low55.4Low85 Ų85124.3 Ų124.355%0.55272%0.716SS**PPolyproline II helixtrans-64129.7-178.423.8-32.9000111.2G248P246-G248 PolarHBondContact O-N 3.02Å
247F49.4Very low55Low173 Ų173126.1 Ų126.176%0.75971%0.713SS**SBendtrans-72.9123167.7-67.2-76.6000109.2F244 D245F244-F247 HydrophobicContact CE1-CD2 4.19Å; F244-F247 AromaticContact CE1-CE2 3.76Å; F244-F247 HydrophobicContact CE1-CE2 3.76Å; F244-F247 HydrophobicContact CZ-CE2 4.2Å; D245-F247 PolarHBondContact O-N 2.74Å
248G52Low54.3Low53 Ų53129.2 Ų129.255%0.54672%0.722SS.*SBendtrans103.2155.7170.500000115.1P246 M250P246-G248 PolarHBondContact O-N 3.02Å; G248-M250 PolarHBondContact O-N 3.49Å
249P45.5Very low53.9Low133 Ų133131.9 Ų131.986%0.86474%0.741SS**  trans-62.1129.1-168.623.8-31.7000112G251P249-G251 PolarHBondContact O-N 3.01Å; P249-G251 VanDerWaalsContact O-N 3.09Å
250M51.6Low53.7Low182 Ų182135 Ų13590%0.89775%0.752SS**SBendtrans-57.2112.2176.2-65.6-133.5-67.900110.8G248G248-M250 PolarHBondContact O-N 3.49Å
251G52.6Low53.9Low72 Ų72134.9 Ų134.974%0.74274%0.739SS**  trans170.956.9175.600000117.1P249P249-G251 PolarHBondContact O-N 3.01Å; P249-G251 VanDerWaalsContact O-N 3.09Å
252R51.2Low53.7Low227 Ų227139.2 Ų139.286%0.85774%0.74SS**SBendtrans-141.315.6162.1-137169.8174.4-164.2-3.6117.4
253H46.3Very low53.5Low183 Ų183142 Ų14285%0.84775%0.753SS**  trans-133.890.4163-60.4-60.7000108.3P255H253-P255 VanDerWaalsContact O-CD 3.31Å; H253-P255 WeakPolarHBondContact O-CD 3.44Å
254R45.3Very low53.7Low246 Ų246135.4 Ų135.493%0.92874%0.744SS**  trans-78114.4151.3-87.5-175.9177.9171.6-0.6105.6
255P45.6Very low54.1Low111 Ų111134.9 Ų134.972%0.72175%0.753SS**PPolyproline II helixtrans-58.2142.1157.8-11.728000106.9H253H253-P255 VanDerWaalsContact O-CD 3.31Å; H253-P255 WeakPolarHBondContact O-CD 3.44Å
256G56.4Low54Low57 Ų57131.8 Ų131.859%0.58875%0.753SS**PPolyproline II helixtrans-53.4161.1166.300000110.8D258G256-D258 PolarHBondContact O-N 3.08Å
257P52Low53.8Low120 Ų120137.8 Ų137.878%0.77977%0.766SS**PPolyproline II helixtrans-54.4135.7-176.121.9-30.8000111.1
258D48.9Very low54.3Low119 Ų119136.7 Ų136.764%0.63677%0.768SS**PPolyproline II helixtrans-54.1149.4-177.5-83.5-39000112.3G256 D260 H261G256-D258 PolarHBondContact O-N 3.08Å; D258-D260 PolarHBondContact O-N 3.28Å; D258-H261 PolarHBondContact O-CD2 3.32Å; D258-H261 VanDerWaalsContact O-CD2 3.24Å
259P54.9Low54.8Low125 Ų125141.5 Ų141.581%0.81278%0.782SS**THydrogen-bonded Turntrans-72.810.7-173.128.8-33.8000115.8
260D58.9Low55.3Low156 Ų156142.9 Ų142.983%0.83478%0.778SS**THydrogen-bonded Turntrans-108.115178-77.7-27.6000113.9D258 M262D258-D260 PolarHBondContact O-N 3.28Å; D260-M262 PolarHBondContact O-N 3.17Å
261H63.3Low55.5Low138 Ų138144.1 Ų144.164%0.63978%0.779SS**  trans-79.5104.2165.6-68-66.2000109.8D258D258-H261 PolarHBondContact O-CD2 3.32Å; D258-H261 VanDerWaalsContact O-CD2 3.24Å
262M57.4Low55.2Low172 Ų172153.2 Ų153.285%0.84781%0.806SS**PPolyproline II helixtrans-51127.8162.9-81.2-178.754.400108.8D260D260-M262 PolarHBondContact O-N 3.17Å
263P63.8Low55.4Low110 Ų110149.6 Ų149.671%0.71480%0.803SS**PPolyproline II helixtrans-58.9138.5174.623.9-31.5000108.7
264P61.2Low55.9Low117 Ų117147.8 Ų147.876%0.7680%0.801SS**PPolyproline II helixtrans-56.9140176.422.4-31.1000109.5G266P264-G266 PolarHBondContact O-N 3.19Å
265P61.5Low56.4Low117 Ų117142.3 Ų142.376%0.7679%0.794SS**PPolyproline II helixtrans-54.4131-176.33.5-8.7000110.7Y267P265-Y267 PolarHBondContact O-N 2.84Å
266G56.3Low57.1Low71 Ų71144.2 Ų144.273%0.73280%0.798SS**PPolyproline II helixtrans-57.9127.1-177.200000111.3P264 D268P264-G266 PolarHBondContact O-N 3.19Å; G266-D268 PolarHBondContact O-N 3.41Å; G266-D268 VanDerWaalsContact O-N 3.07Å
267Y56.9Low57.1Low211 Ų211149.6 Ų149.683%0.82781%0.811SS**  trans-80.757.4163.8-81.4-90000109.5P265P265-Y267 PolarHBondContact O-N 2.84Å
268D58.8Low57.5Low150 Ų150151.6 Ų151.680%0.80281%0.813SS**  trans-95.885160.4-85.6-22.9000106.2G266G266-D268 PolarHBondContact O-N 3.41Å; G266-D268 VanDerWaalsContact O-N 3.07Å
269D61.8Low58.1Low155 Ų155153.9 Ų153.983%0.82983%0.826SS**  trans160.962.6154.8-82.8-18.1000112.3
270M57Low58.3Low161 Ų161156.2 Ų156.279%0.79383%0.827SS**  trans-13129.4168-72.6-75.4-72.500112.9M272M270-M272 PolarHBondContact O-N 3.35Å
271F55.2Low58.3Low209 Ų209156.2 Ų156.292%0.91783%0.826SS**  trans-82.397160.7-74.5-77.5000109.4
272M46.3Very low57.8Low263 Ų263157.8 Ų157.8100%1.29684%0.843SS**  trans-165.10148.1-102-172.7-70.700110.6M270M270-M272 PolarHBondContact O-N 3.35Å

Retrieved 272 of 272 residues in 154 ms (Link to these results)

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