A0A087XCS7_POEFO Loading...

Anamorsin

Component of the cytosolic iron-sulfur (Fe-S) protein assembly (CIA) machinery required for the maturation of extramitochondrial Fe-S proteins. Part of an electron transfer chain functioning in an early step of cytosolic Fe-S biogenesis, facilitating the de novo assembly of a [4Fe-4S] cluster on the scaffold complex NUBP1-NUBP2. Electrons are transferred to CIAPIN1 from NADPH via the FAD- and FMN-containing protein NDOR1. NDOR1-CIAPIN1 are also required for the assembly of the diferric tyrosyl radical cofactor of ribonucleotide reductase (RNR), probably by providing electrons for reduction during radical cofactor maturation in the catalytic small subunit. Has anti-apoptotic effects in the cell. Involved in negative control of cell death upon cytokine withdrawal. Promotes development of hematopoietic cells.

AlphaFold DB , UniProt , Accession A0A087XCS7, Species POEFO (Poecilia formosa, Amazon molly), Gene CIAPIN1, Length 313 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
1M53.3Low75.7Confident58 Ų5870.5 Ų70.529%0.28643%0.43SS..  0-39.90-69.8-61.6-146.100113.4D3 L4 Y28 E31 L32 A35M1-D3 PolarHBondContact O-N 2.85Å; M1-L4 WeakPolarHBondContact O-CB 3.21Å; M1-L4 PolarHBondContact O-N 3.44Å; M1-L4 HydrophobicContact SD-CD1 3.45Å; M1-L4 WeakPolarHBondContact SD-CD1 3.28Å; M1-Y28 HydrophobicContact CE-CD1 4.32Å; M1-Y28 HydrophobicContact CE-CD2 3.74Å; M1-Y28 HydrophobicContact CE-CE1 4.05Å; M1-Y28 HydrophobicContact CE-CE2 3.42Å; M1-Y28 VanDerWaalsContact CE-CE2 3.42Å; M1-Y28 HydrophobicContact CE-CG 4.17Å; M1-Y28 HydrophobicContact SD-CE2 4.02Å; M1-E31 HydrophobicContact CE-CB 3.73Å; M1-E31 HydrophobicContact CG-CB 4.29Å; M1-L32 HydrophobicContact CE-CB 4.26Å; M1-L32 HydrophobicContact CE-CD2 3.38Å; M1-L32 HydrophobicContact CE-CG 3.39Å; M1-L32 HydrophobicContact SD-CD2 3.77Å; M1-L32 HydrophobicContact SD-CG 4.44Å; M1-A35 HydrophobicContact CB-CB 4.38Å
2A42.1Very low77.3Confident93 Ų9364.6 Ų64.677%0.76939%0.394SS*.G310 helixtrans-55.9-28.7171.500000113.2L4 G5A2-L4 PolarHBondContact O-N 3.36Å; A2-G5 PolarHBondContact O-N 2.84Å
3D57.8Low78.6Confident160 Ų16059.6 Ų59.686%0.85636%0.364SS*.G310 helixtrans-68.2-17.1176-58.6-51.9000114.7M1 G5M1-D3 PolarHBondContact O-N 2.85Å; D3-G5 VanDerWaalsContact C-N 3.31Å
4L69.5Low79.7Confident26 Ų2655.5 Ų55.514%0.13634%0.339CS..G310 helixtrans-82-14.2179.1-55.8173.1000112M1 A2 V6 W62 L67 L94M1-L4 WeakPolarHBondContact O-CB 3.21Å; M1-L4 PolarHBondContact O-N 3.44Å; M1-L4 HydrophobicContact SD-CD1 3.45Å; M1-L4 WeakPolarHBondContact SD-CD1 3.28Å; A2-L4 PolarHBondContact O-N 3.36Å; L4-V6 VanDerWaalsContact C-N 3.33Å; L4-V6 HydrophobicContact CB-CG2 4.24Å; L4-W62 WeakPolarHBondContact O-CH2 3.42Å; L4-L67 HydrophobicContact CD1-CD2 4.28Å; L4-L67 HydrophobicContact CD2-CD2 4.24Å; L4-L94 HydrophobicContact CB-CD2 4.5Å; L4-L94 HydrophobicContact CD2-CD2 3.43Å; L4-L94 VanDerWaalsContact CD2-CD2 3.43Å; L4-L94 HydrophobicContact CG-CD2 4.45Å
5G76.7Confident80.5Confident38 Ų3851.9 Ų51.939%0.39232%0.316SS..THydrogen-bonded Turntrans78.711.3-179.700000115.2A2 D3 W62A2-G5 PolarHBondContact O-N 2.84Å; D3-G5 VanDerWaalsContact C-N 3.31Å; G5-W62 WeakPolarHBondContact O-CZ2 3.26Å
6V85Confident81.2Confident18 Ų1852 Ų5211%0.10931%0.309CS..  trans-68.7133.9172.5-179.20000109.4L4 D10 V12 V36 W62L4-V6 VanDerWaalsContact C-N 3.33Å; L4-V6 HydrophobicContact CB-CG2 4.24Å; V6-D10 HydrophobicContact CG1-CB 4.28Å; V6-V12 HydrophobicContact CG1-CG2 3.83Å; V6-V36 HydrophobicContact CG1-CG2 3.63Å; V6-W62 HydrophobicContact CG2-CD2 4.17Å; V6-W62 HydrophobicContact CG2-CG 4.32Å
7K86.9Confident81.5Confident148 Ų14849.6 Ų49.664%0.64330%0.296SS*.  trans-109.3162.8-178.1-62.9-178.7-178.5-179.70111.5G9 D10K7-G9 PolarHBondContact O-N 2.93Å; K7-D10 PolarHBondContact N-OD2 3.16Å; K7-D10 WeakPolarHBondContact O-CB 3.05Å; K7-D10 PolarHBondContact O-N 2.59Å
8A87.1Confident81.3Confident84 Ų8454.6 Ų54.669%0.69432%0.315SS*.THydrogen-bonded Turntrans-60.4133.7170.200000110.5V36A8-V36 CarbonylContact C-O 3.55Å; A8-V36 WeakPolarHBondContact CA-O 3.49Å
9G87.8Confident80.6Confident29 Ų2956.2 Ų56.230%0.29933%0.327SS..THydrogen-bonded Turntrans89.4-6.7-178.100000115.6K7 V36K7-G9 PolarHBondContact O-N 2.93Å; G9-V36 PolarHBondContact N-O 2.84Å
10D92.3Very high80.1Confident20 Ų2054 Ų5411%0.10732%0.315CS..  trans-68.2144.3179.1-76.8-20.5000112V6 K7 V12 V36 K41 D61 W62V6-D10 HydrophobicContact CG1-CB 4.28Å; K7-D10 PolarHBondContact N-OD2 3.16Å; K7-D10 WeakPolarHBondContact O-CB 3.05Å; K7-D10 PolarHBondContact O-N 2.59Å; D10-V12 HydrophobicContact CB-CG2 4.26Å; D10-V36 WeakPolarHBondContact O-CG1 3.44Å; D10-K41 PolarHBondContact O-N 3.44Å; D10-D61 WeakPolarHBondContact CA-OD2 3.17Å; D10-D61 HydrophobicContact CB-CB 4.42Å; D10-W62 PolarHBondContact OD2-NE1 2.83Å
11K94.4Very high80.2Confident101 Ų10154.5 Ų54.544%0.43932%0.319SS..EExtended strand (participates in β ladder)trans-90.7113.7168.2-65.4178.2-176.8171.80109.5K41 S59 F60 D61 W62K11-K41 CarbonylContact C-O 3.6Å; K11-K41 WeakPolarHBondContact CA-O 3.29Å; K11-K41 HydrophobicContact CG-CB 4.3Å; K11-S59 WeakPolarHBondContact CD-O 3.41Å; K11-F60 HydrophobicContact CB-CD1 4.09Å; K11-D61 PolarHBondContact N-OD2 3.43Å; K11-D61 PolarHBondContact O-N 2.83Å; K11-W62 PolarHBondContact O-N 2.82Å; K11-W62 VanDerWaalsContact O-N 3.16Å
12V94.8Very high81.6Confident0 Ų055.3 Ų55.30%033%0.329CS..EExtended strand (participates in β ladder)trans-114.6130.6-174.5-172.70000110.3V6 D10 V36 K41 V42 S43 W62 L64V6-V12 HydrophobicContact CG1-CG2 3.83Å; D10-V12 HydrophobicContact CB-CG2 4.26Å; V12-V36 HydrophobicContact CG2-CG2 3.65Å; V12-K41 PolarHBondContact N-O 3.03Å; V12-V42 CarbonylContact O-C 3.54Å; V12-V42 WeakPolarHBondContact O-CA 3.35Å; V12-S43 PolarHBondContact O-N 3.28Å; V12-W62 WeakPolarHBondContact CA-O 3.41Å; V12-W62 HydrophobicContact CB-CB 4.44Å; V12-W62 HydrophobicContact CG1-CB 4.11Å; V12-W62 HydrophobicContact CG2-CB 4.15Å; V12-L64 HydrophobicContact CG1-CD1 3.74Å; V12-L64 HydrophobicContact CG1-CG 3.92Å
13L94.6Very high83.7Confident0 Ų057 Ų570%032%0.321CS..EExtended strand (participates in β ladder)trans-104.9118169.3178.964.3000109.5V15 S43 E45 L50 F60 W62 V63 L64 V86L13-V15 HydrophobicContact CD2-CG2 4.07Å; L13-V15 HydrophobicContact CG-CG2 3.94Å; L13-S43 CarbonylContact C-O 3.56Å; L13-S43 WeakPolarHBondContact CA-O 3.49Å; L13-E45 HydrophobicContact CD1-CB 4.14Å; L13-E45 HydrophobicContact CD1-CG 3.77Å; L13-L50 HydrophobicContact CD2-CD1 4.03Å; L13-F60 HydrophobicContact CB-CB 4.44Å; L13-F60 HydrophobicContact CB-CD1 3.85Å; L13-F60 HydrophobicContact CB-CD2 4.08Å; L13-F60 HydrophobicContact CB-CE1 4.05Å; L13-F60 HydrophobicContact CB-CE2 4.26Å; L13-F60 HydrophobicContact CB-CG 3.86Å; L13-F60 HydrophobicContact CB-CZ 4.25Å; L13-F60 HydrophobicContact CD1-CE2 4.38Å; L13-F60 HydrophobicContact CD1-CZ 4.16Å; L13-F60 HydrophobicContact CD2-CD2 4.22Å; L13-F60 HydrophobicContact CD2-CE2 4.19Å; L13-W62 PolarHBondContact N-O 2.83Å; L13-V63 HydrophobicContact CB-CG2 4.15Å; L13-V63 HydrophobicContact CD2-CG2 4.2Å; L13-V63 CarbonylContact O-C 3.59Å; L13-V63 WeakPolarHBondContact O-CA 3.46Å; L13-L64 PolarHBondContact O-N 2.78Å; L13-V86 HydrophobicContact CD2-CG2 3.84Å
14L93.1Very high85.1Confident2 Ų252.2 Ų52.21%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-95.5113.7172.4178.764.6000109.3L25 Y28 A29 L32 S43 V44 E45 L64L14-L25 HydrophobicContact CD2-CD1 3.81Å; L14-Y28 HydrophobicContact CD1-CD1 3.91Å; L14-Y28 HydrophobicContact CD1-CE1 3.75Å; L14-Y28 HydrophobicContact CD2-CD1 3.86Å; L14-Y28 HydrophobicContact CD2-CE1 4.49Å; L14-A29 HydrophobicContact CD2-CB 4.41Å; L14-L32 HydrophobicContact CB-CD1 4.23Å; L14-L32 HydrophobicContact CD1-CD1 4.24Å; L14-L32 HydrophobicContact CD2-CD1 4.14Å; L14-L32 HydrophobicContact CG-CD1 4.44Å; L14-S43 PolarHBondContact N-O 3.19Å; L14-V44 HydrophobicContact CB-CG2 4.38Å; L14-V44 HydrophobicContact CD2-CG1 4.37Å; L14-V44 HydrophobicContact CD2-CG2 4.28Å; L14-V44 WeakPolarHBondContact O-CA 3.49Å; L14-E45 PolarHBondContact O-N 3.25Å; L14-L64 HydrophobicContact CD1-CB 4.14Å
15V92.6Very high85.9Confident1 Ų152 Ų521%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-102.6119.3176.3-170.20000109.4L13 E45 M47 L50 V63 L64 C66 M83L13-V15 HydrophobicContact CD2-CG2 4.07Å; L13-V15 HydrophobicContact CG-CG2 3.94Å; V15-E45 WeakPolarHBondContact CA-O 3.08Å; V15-M47 HydrophobicContact CG1-CB 4.15Å; V15-M47 HydrophobicContact CG1-CE 3.61Å; V15-M47 HydrophobicContact CG1-SD 3.83Å; V15-L50 HydrophobicContact CG1-CD2 4.32Å; V15-L50 HydrophobicContact CG2-CD1 4.12Å; V15-L50 HydrophobicContact CG2-CD2 4.35Å; V15-V63 HydrophobicContact CG2-CG1 4.13Å; V15-L64 PolarHBondContact N-O 2.95Å; V15-C66 PolarHBondContact O-N 3.48Å; V15-M83 HydrophobicContact CB-CE 4.38Å; V15-M83 HydrophobicContact CG1-CE 4.23Å; V15-M83 HydrophobicContact CG2-CE 4.34Å
16W90.9Very high86.5Confident54 Ų5456.6 Ų56.621%0.20531%0.306CS..EExtended strand (participates in β ladder)trans-120.3159.4-176.670-84.7000112.2Q18 L25 E45 N46 M47W16-Q18 HydrophobicContact CZ3-CG 4.01Å; W16-L25 HydrophobicContact CB-CD1 3.77Å; W16-L25 HydrophobicContact CD2-CD1 4.46Å; W16-L25 HydrophobicContact CD2-CD2 3.68Å; W16-L25 HydrophobicContact CE3-CD2 4.27Å; W16-L25 HydrophobicContact CG-CD1 3.8Å; W16-L25 HydrophobicContact CG-CD2 3.8Å; W16-L25 HydrophobicContact CG-CG 4.48Å; W16-L25 HydrophobicContact CZ2-CD2 4.25Å; W16-E45 VanDerWaalsContact CD1-C 3.49Å; W16-E45 PolarHBondContact N-O 3.04Å; W16-E45 PolarHBondContact NE1-O 3.05Å; W16-N46 WeakPolarHBondContact CH2-ND2 3.45Å; W16-N46 HydrophobicContact CZ2-CB 3.95Å; W16-N46 CarbonylContact O-C 3.59Å; W16-N46 WeakPolarHBondContact O-CA 3.48Å; W16-M47 PolarHBondContact O-N 3.01Å
17T86.6Confident86.8Confident12 Ų1261.1 Ų61.17%0.07433%0.326CS..  trans-131.4156.4175.7-175.30000110.7S20 C71 Y73T17-S20 PolarHBondContact O-N 2.85Å; T17-S20 PolarHBondContact O-OG 3.02Å; T17-C71 HydrophobicContact CG2-CB 3.73Å; T17-Y73 HydrophobicContact CG2-CG 4.44Å
18Q77.3Confident86.9Confident138 Ų13855.7 Ų55.765%0.64530%0.302SS*.THydrogen-bonded Turntrans-66.8148.7164.3-68.5-178.2-6.300109.7W16W16-Q18 HydrophobicContact CZ3-CG 4.01Å
19P68Low87.1Confident85 Ų8552.7 Ų52.755%0.55228%0.277SS*.THydrogen-bonded Turncis-100.458.210.639.5-34.6000113.9
20S71.6Confident87.3Confident12 Ų1258 Ų588%0.08429%0.293CS..  trans-74.7135.5174.464.30000113.2T17 D70T17-S20 PolarHBondContact O-N 2.85Å; T17-S20 PolarHBondContact O-OG 3.02Å; S20-D70 VanDerWaalsContact CA-OD2 3.27Å; S20-D70 WeakPolarHBondContact CA-OD2 3.34Å
21T81.1Confident87.2Confident65 Ų6560.9 Ų60.940%0.39931%0.307SS..  trans-69.6135.6174.358.90000111.1E23 T24 L25T21-E23 PolarHBondContact O-N 2.95Å; T21-E23 VanDerWaalsContact O-N 3.15Å; T21-T24 PolarHBondContact O-N 3.43Å; T21-T24 VanDerWaalsContact O-N 3.17Å; T21-T24 WeakPolarHBondContact OG1-CB 3.17Å; T21-T24 PolarHBondContact OG1-OG1 3.45Å; T21-L25 PolarHBondContact O-N 3.48Å; T21-L25 VanDerWaalsContact O-N 3.12Å
22P83.8Confident86.9Confident76 Ų7656.1 Ų56.149%0.49429%0.286SS..Hα-helixtrans-56.9-30.5-179.5-25.934.6000113.7K26P22-K26 WeakPolarHBondContact O-CB 3.33Å; P22-K26 VanDerWaalsContact O-CG 3.22Å; P22-K26 WeakPolarHBondContact O-CG 3.26Å; P22-K26 PolarHBondContact O-N 3.49Å
23E86.5Confident86.7Confident127 Ų12757.6 Ų57.659%0.59330%0.301SS*.Hα-helixtrans-66.3-47.4178.6-63.168.6-146.200111.1T21 L25 K26 Q27T21-E23 PolarHBondContact O-N 2.95Å; T21-E23 VanDerWaalsContact O-N 3.15Å; E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 2.95Å; E23-K26 PolarHBondContact O-N 3.09Å; E23-Q27 WeakPolarHBondContact O-CB 3.32Å; E23-Q27 PolarHBondContact O-N 3.11Å
24T86.2Confident86.4Confident60 Ų6061.6 Ų61.637%0.36833%0.334SS..Hα-helixtrans-65.1-40.2178.2-49.20000110.8T21 Q27 Y28 L68T21-T24 PolarHBondContact O-N 3.43Å; T21-T24 VanDerWaalsContact O-N 3.17Å; T21-T24 WeakPolarHBondContact OG1-CB 3.17Å; T21-T24 PolarHBondContact OG1-OG1 3.45Å; T24-Q27 PolarHBondContact O-N 3.02Å; T24-Y28 VanDerWaalsContact O-CB 3.32Å; T24-Y28 WeakPolarHBondContact O-CB 3.27Å; T24-Y28 PolarHBondContact O-N 2.78Å; T24-L68 HydrophobicContact CG2-CD2 4.14Å
25L87.5Confident86.2Confident22 Ų2263.2 Ų63.212%0.11535%0.347CS..Hα-helixtrans-63.4-44.2176.8-178.467000111.7L14 W16 T21 E23 Y28 A29 V44 L68L14-L25 HydrophobicContact CD2-CD1 3.81Å; W16-L25 HydrophobicContact CB-CD1 3.77Å; W16-L25 HydrophobicContact CD2-CD1 4.46Å; W16-L25 HydrophobicContact CD2-CD2 3.68Å; W16-L25 HydrophobicContact CE3-CD2 4.27Å; W16-L25 HydrophobicContact CG-CD1 3.8Å; W16-L25 HydrophobicContact CG-CD2 3.8Å; W16-L25 HydrophobicContact CG-CG 4.48Å; W16-L25 HydrophobicContact CZ2-CD2 4.25Å; T21-L25 PolarHBondContact O-N 3.48Å; T21-L25 VanDerWaalsContact O-N 3.12Å; E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 2.95Å; L25-Y28 PolarHBondContact O-N 2.87Å; L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3Å; L25-V44 HydrophobicContact CD1-CG1 4.25Å; L25-V44 HydrophobicContact CD2-CG1 4.25Å; L25-V44 HydrophobicContact CG-CG1 4.45Å; L25-L68 HydrophobicContact CB-CD1 4.48Å; L25-L68 HydrophobicContact CD1-CD1 4.07Å
26K89.4Confident86.1Confident134 Ų13463.2 Ų63.258%0.58335%0.348SS*.Hα-helixtrans-61.8-49.3176.5-77.9173.5-178.1179.20111.3P22 E23 Y28 A29 E30P22-K26 WeakPolarHBondContact O-CB 3.33Å; P22-K26 VanDerWaalsContact O-CG 3.22Å; P22-K26 WeakPolarHBondContact O-CG 3.26Å; P22-K26 PolarHBondContact O-N 3.49Å; E23-K26 PolarHBondContact O-N 3.09Å; K26-Y28 VanDerWaalsContact C-N 3.3Å; K26-Y28 PolarHBondContact O-N 3.31Å; K26-A29 PolarHBondContact O-N 2.78Å; K26-E30 WeakPolarHBondContact O-CB 3.06Å; K26-E30 WeakPolarHBondContact O-CG 3.44Å; K26-E30 PolarHBondContact O-N 3.34Å
27Q90.8Very high85.9Confident114 Ų11462.4 Ų62.453%0.53336%0.356SS..Hα-helixtrans-57.2-46.3177.5-175.8-177.2-11.900111E23 T24 A29 E30 E31E23-Q27 WeakPolarHBondContact O-CB 3.32Å; E23-Q27 PolarHBondContact O-N 3.11Å; T24-Q27 PolarHBondContact O-N 3.02Å; Q27-A29 PolarHBondContact O-N 3.01Å; Q27-E30 PolarHBondContact O-N 2.83Å; Q27-E31 PolarHBondContact NE2-OE1 3.07Å; Q27-E31 WeakPolarHBondContact O-CG 3.42Å; Q27-E31 PolarHBondContact O-N 3.29Å
28Y89.1Confident85.7Confident34 Ų3466.9 Ų66.913%0.13339%0.394CS..Hα-helixtrans-64.7-40179.4-164.8-103000112.7M1 L14 T24 L25 K26 E31 L32 L67 L68M1-Y28 HydrophobicContact CE-CD1 4.32Å; M1-Y28 HydrophobicContact CE-CD2 3.74Å; M1-Y28 HydrophobicContact CE-CE1 4.05Å; M1-Y28 HydrophobicContact CE-CE2 3.42Å; M1-Y28 VanDerWaalsContact CE-CE2 3.42Å; M1-Y28 HydrophobicContact CE-CG 4.17Å; M1-Y28 HydrophobicContact SD-CE2 4.02Å; L14-Y28 HydrophobicContact CD1-CD1 3.91Å; L14-Y28 HydrophobicContact CD1-CE1 3.75Å; L14-Y28 HydrophobicContact CD2-CD1 3.86Å; L14-Y28 HydrophobicContact CD2-CE1 4.49Å; T24-Y28 VanDerWaalsContact O-CB 3.32Å; T24-Y28 WeakPolarHBondContact O-CB 3.27Å; T24-Y28 PolarHBondContact O-N 2.78Å; L25-Y28 PolarHBondContact O-N 2.87Å; K26-Y28 VanDerWaalsContact C-N 3.3Å; K26-Y28 PolarHBondContact O-N 3.31Å; Y28-E31 PolarHBondContact O-N 3.32Å; Y28-L32 HydrophobicContact CD1-CD1 4.01Å; Y28-L32 HydrophobicContact CD1-CG 4.39Å; Y28-L32 HydrophobicContact CE1-CD1 3.83Å; Y28-L32 HydrophobicContact CE1-CG 4.2Å; Y28-L32 WeakPolarHBondContact O-CG 3.44Å; Y28-L32 PolarHBondContact O-N 3.16Å; Y28-L67 HydrophobicContact CE1-CB 4.44Å; Y28-L67 WeakPolarHBondContact OH-CD2 3.41Å; Y28-L68 HydrophobicContact CD1-CD2 4.33Å; Y28-L68 HydrophobicContact CD2-CD2 4.29Å; Y28-L68 HydrophobicContact CG-CD2 3.97Å
29A90.6Very high86.1Confident21 Ų2167.8 Ų67.817%0.17440%0.403CS..Hα-helixtrans-66.6-37.8175.700000112.5L14 L25 K26 Q27 L32 G33 V44L14-A29 HydrophobicContact CD2-CB 4.41Å; L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3Å; K26-A29 PolarHBondContact O-N 2.78Å; Q27-A29 PolarHBondContact O-N 3.01Å; A29-L32 PolarHBondContact O-N 3.44Å; A29-G33 PolarHBondContact O-N 2.8Å; A29-V44 HydrophobicContact CB-CG2 4.04Å
30E91.3Very high86.9Confident139 Ų13964.7 Ų64.765%0.6539%0.387SS*.Hα-helixtrans-66.1-42.6174.4-74.1173.3-17100111.5K26 Q27 L32 G33 A34K26-E30 WeakPolarHBondContact O-CB 3.06Å; K26-E30 WeakPolarHBondContact O-CG 3.44Å; K26-E30 PolarHBondContact O-N 3.34Å; Q27-E30 PolarHBondContact O-N 2.83Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.05Å; E30-G33 PolarHBondContact O-N 2.88Å; E30-A34 WeakPolarHBondContact O-CB 3.49Å; E30-A34 PolarHBondContact O-N 3.2Å
31E90.1Very high87.9Confident82 Ų8270 Ų7038%0.38341%0.408SS..Hα-helixtrans-62.2-39.5174-73.5176-163.800112.1M1 Q27 Y28 A34 A35M1-E31 HydrophobicContact CE-CB 3.73Å; M1-E31 HydrophobicContact CG-CB 4.29Å; Q27-E31 PolarHBondContact NE2-OE1 3.07Å; Q27-E31 WeakPolarHBondContact O-CG 3.42Å; Q27-E31 PolarHBondContact O-N 3.29Å; Y28-E31 PolarHBondContact O-N 3.32Å; E31-A34 PolarHBondContact O-N 3.16Å; E31-A35 PolarHBondContact O-N 3.48Å; E31-A35 VanDerWaalsContact O-N 3.09Å
32L89.4Confident88.5Confident1 Ų168.8 Ų68.81%0.00540%0.401CS..Hα-helixtrans-64.9-43.5172.4-74.7175000111.3M1 L14 Y28 A29 E30 A34 A35 V36 V42 L64M1-L32 HydrophobicContact CE-CB 4.26Å; M1-L32 HydrophobicContact CE-CD2 3.38Å; M1-L32 HydrophobicContact CE-CG 3.39Å; M1-L32 HydrophobicContact SD-CD2 3.77Å; M1-L32 HydrophobicContact SD-CG 4.44Å; L14-L32 HydrophobicContact CB-CD1 4.23Å; L14-L32 HydrophobicContact CD1-CD1 4.24Å; L14-L32 HydrophobicContact CD2-CD1 4.14Å; L14-L32 HydrophobicContact CG-CD1 4.44Å; Y28-L32 HydrophobicContact CD1-CD1 4.01Å; Y28-L32 HydrophobicContact CD1-CG 4.39Å; Y28-L32 HydrophobicContact CE1-CD1 3.83Å; Y28-L32 HydrophobicContact CE1-CG 4.2Å; Y28-L32 WeakPolarHBondContact O-CG 3.44Å; Y28-L32 PolarHBondContact O-N 3.16Å; A29-L32 PolarHBondContact O-N 3.44Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.05Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.41Å; L32-A35 PolarHBondContact O-N 2.8Å; L32-A35 VanDerWaalsContact O-N 3.16Å; L32-V36 WeakPolarHBondContact O-CB 3.39Å; L32-V36 VanDerWaalsContact O-CG2 3.29Å; L32-V36 WeakPolarHBondContact O-CG2 3.28Å; L32-V36 PolarHBondContact O-N 2.88Å; L32-V42 HydrophobicContact CB-CG1 4.22Å; L32-V42 HydrophobicContact CB-CG2 4.01Å; L32-V42 HydrophobicContact CD1-CG1 4.37Å; L32-L64 HydrophobicContact CD1-CD1 3.87Å; L32-L64 HydrophobicContact CD2-CD1 3.58Å; L32-L64 HydrophobicContact CG-CD1 4.4Å
33G89.6Confident88.9Confident30 Ų3065.9 Ų65.931%0.30938%0.382SS..Hα-helixtrans-59.6-42.1177.200000111.8A29 E30 A35 V36 G37A29-G33 PolarHBondContact O-N 2.8Å; E30-G33 PolarHBondContact O-N 2.88Å; G33-A35 PolarHBondContact O-N 2.88Å; G33-V36 PolarHBondContact O-N 3.29Å; G33-G37 PolarHBondContact O-N 3.32Å
34A89.9Confident89.2Confident84 Ų8462.6 Ų62.669%0.69437%0.371SS*.Hα-helixtrans-64.4-37.4175.300000112.7E30 E31 L32E30-A34 WeakPolarHBondContact O-CB 3.49Å; E30-A34 PolarHBondContact O-N 3.2Å; E31-A34 PolarHBondContact O-N 3.16Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.41Å
35A88.3Confident89.5Confident36 Ų3661.9 Ų61.930%0.29836%0.363SS..Hα-helixtrans-71.7-36.6178.200000113.2M1 E31 L32 G33M1-A35 HydrophobicContact CB-CB 4.38Å; E31-A35 PolarHBondContact O-N 3.48Å; E31-A35 VanDerWaalsContact O-N 3.09Å; L32-A35 PolarHBondContact O-N 2.8Å; L32-A35 VanDerWaalsContact O-N 3.16Å; G33-A35 PolarHBondContact O-N 2.88Å
36V89.3Confident89.6Confident2 Ų261.8 Ų61.81%0.01236%0.363CS..Hα-helixtrans-79.5-28.5-179.4170.20000112V6 A8 G9 D10 V12 L32 G33 G40 V42V6-V36 HydrophobicContact CG1-CG2 3.63Å; A8-V36 CarbonylContact C-O 3.55Å; A8-V36 WeakPolarHBondContact CA-O 3.49Å; G9-V36 PolarHBondContact N-O 2.84Å; D10-V36 WeakPolarHBondContact O-CG1 3.44Å; V12-V36 HydrophobicContact CG2-CG2 3.65Å; L32-V36 WeakPolarHBondContact O-CB 3.39Å; L32-V36 VanDerWaalsContact O-CG2 3.29Å; L32-V36 WeakPolarHBondContact O-CG2 3.28Å; L32-V36 PolarHBondContact O-N 2.88Å; G33-V36 PolarHBondContact O-N 3.29Å; V36-G40 VanDerWaalsContact CG1-C 3.48Å; V36-V42 HydrophobicContact CB-CG2 4.39Å; V36-V42 HydrophobicContact CG2-CG2 4.16Å
37G87.1Confident89.6Confident36 Ų3655.4 Ų55.437%0.37134%0.335SS..  trans73-173.7179.100000113.8G33 D39 G40G33-G37 PolarHBondContact O-N 3.32Å; G37-D39 VanDerWaalsContact C-N 3.32Å; G37-D39 PolarHBondContact O-N 2.97Å; G37-G40 PolarHBondContact O-N 2.92Å
38A83.2Confident89.4Confident106 Ų10657.2 Ų57.288%0.87634%0.343SS*.THydrogen-bonded Turntrans-68.3-26.4-171.100000114.5
39D84.5Confident89.3Confident157 Ų15763.3 Ų63.384%0.8437%0.366SS*.THydrogen-bonded Turntrans-85.9-14-175.8-64.4-42.6000113.6G37G37-D39 VanDerWaalsContact C-N 3.32Å; G37-D39 PolarHBondContact O-N 2.97Å
40G86.6Confident89.1Confident20 Ų2062.3 Ų62.321%0.20636%0.358CS..SBendtrans-106177.5179.800000112.9V36 G37V36-G40 VanDerWaalsContact CG1-C 3.48Å; G37-G40 PolarHBondContact O-N 2.92Å
41K91.6Very high88.8Confident123 Ų12359.2 Ų59.254%0.53535%0.351SS..EExtended strand (participates in β ladder)trans-134.6124.2-171.4-174.5-178.7178.7-175.50110.5D10 K11 V12D10-K41 PolarHBondContact O-N 3.44Å; K11-K41 CarbonylContact C-O 3.6Å; K11-K41 WeakPolarHBondContact CA-O 3.29Å; K11-K41 HydrophobicContact CG-CB 4.3Å; V12-K41 PolarHBondContact N-O 3.03Å
42V93.1Very high88.5Confident41 Ų4162 Ų6225%0.24837%0.368CS..EExtended strand (participates in β ladder)trans-101.4123.6169.5-176.80000108.6V12 L32 V36 V44V12-V42 CarbonylContact O-C 3.54Å; V12-V42 WeakPolarHBondContact O-CA 3.35Å; L32-V42 HydrophobicContact CB-CG1 4.22Å; L32-V42 HydrophobicContact CB-CG2 4.01Å; L32-V42 HydrophobicContact CD1-CG1 4.37Å; V36-V42 HydrophobicContact CB-CG2 4.39Å; V36-V42 HydrophobicContact CG2-CG2 4.16Å; V42-V44 HydrophobicContact CG1-CG2 4.42Å
43S92.6Very high87.8Confident15 Ų1562.7 Ų62.711%0.10537%0.373CS..EExtended strand (participates in β ladder)trans-114.9138.8173.2-57.50000108.7V12 L13 L14V12-S43 PolarHBondContact O-N 3.28Å; L13-S43 CarbonylContact C-O 3.56Å; L13-S43 WeakPolarHBondContact CA-O 3.49Å; L14-S43 PolarHBondContact N-O 3.19Å
44V92.6Very high87.3Confident57 Ų5767.3 Ų67.335%0.34540%0.401SS..EExtended strand (participates in β ladder)trans-119.7122.2-175.8-176.10000108.3L14 L25 A29 V42L14-V44 HydrophobicContact CB-CG2 4.38Å; L14-V44 HydrophobicContact CD2-CG1 4.37Å; L14-V44 HydrophobicContact CD2-CG2 4.28Å; L14-V44 WeakPolarHBondContact O-CA 3.49Å; L25-V44 HydrophobicContact CD1-CG1 4.25Å; L25-V44 HydrophobicContact CD2-CG1 4.25Å; L25-V44 HydrophobicContact CG-CG1 4.45Å; A29-V44 HydrophobicContact CB-CG2 4.04Å; V42-V44 HydrophobicContact CG1-CG2 4.42Å
45E91.9Very high87.3Confident45 Ų4565.1 Ų65.121%0.2138%0.376CS..EExtended strand (participates in β ladder)trans-130.5145.3-178.3-72.8-65.117300111.4L13 L14 V15 W16 L50 H55L13-E45 HydrophobicContact CD1-CB 4.14Å; L13-E45 HydrophobicContact CD1-CG 3.77Å; L14-E45 PolarHBondContact O-N 3.25Å; V15-E45 WeakPolarHBondContact CA-O 3.08Å; W16-E45 VanDerWaalsContact CD1-C 3.49Å; W16-E45 PolarHBondContact N-O 3.04Å; W16-E45 PolarHBondContact NE1-O 3.05Å; E45-L50 HydrophobicContact CB-CD1 4.31Å; E45-H55 VanDerWaalsContact CG-NE2 3.31Å; E45-H55 WeakPolarHBondContact CG-NE2 3.31Å; E45-H55 IonicContact OE1-CD2 3.99Å; E45-H55 IonicContact OE1-CE1 3.43Å; E45-H55 PolarHBondContact OE1-CE1 2.92Å; E45-H55 IonicContact OE1-NE2 2.83Å; E45-H55 PolarHBondContact OE1-NE2 2.96Å
46N90.8Very high87.3Confident20 Ų2066.5 Ų66.511%0.10739%0.388CS..EExtended strand (participates in β ladder)trans-82.6140.2171-178.1-82.2000109.9W16 E48 R49 L50W16-N46 WeakPolarHBondContact CH2-ND2 3.45Å; W16-N46 HydrophobicContact CZ2-CB 3.95Å; W16-N46 CarbonylContact O-C 3.59Å; W16-N46 WeakPolarHBondContact O-CA 3.48Å; N46-E48 VanDerWaalsContact C-N 3.32Å; N46-E48 PolarHBondContact O-N 3.02Å; N46-E48 WeakPolarHBondContact OD1-CB 3.42Å; N46-E48 PolarHBondContact OD1-N 3.33Å; N46-R49 HydrophobicContact CB-CB 4.44Å; N46-R49 HydrophobicContact CB-CG 4.47Å; N46-R49 CarbonylContact O-C 3.52Å; N46-R49 WeakPolarHBondContact O-CA 3.34Å; N46-R49 PolarHBondContact O-N 3.24Å; N46-L50 PolarHBondContact O-N 2.56Å
47M89.1Confident87.4Confident1 Ų169.3 Ų69.31%0.00541%0.411CS..Hα-helixtrans-52.6-44.1-179.1-174.763.87500113.6V15 W16 R49 L50 S65 Y73 T79 M83V15-M47 HydrophobicContact CG1-CB 4.15Å; V15-M47 HydrophobicContact CG1-CE 3.61Å; V15-M47 HydrophobicContact CG1-SD 3.83Å; W16-M47 PolarHBondContact O-N 3.01Å; M47-R49 PolarHBondContact O-N 2.9Å; M47-L50 WeakPolarHBondContact O-CB 3.21Å; M47-L50 PolarHBondContact O-N 3.18Å; M47-S65 VanDerWaalsContact CE-OG 3.24Å; M47-S65 WeakPolarHBondContact CE-OG 3.41Å; M47-Y73 HydrophobicContact CE-CD1 3.67Å; M47-Y73 HydrophobicContact CE-CE1 3.69Å; M47-Y73 HydrophobicContact CG-CD1 3.88Å; M47-Y73 HydrophobicContact CG-CD2 4.2Å; M47-Y73 HydrophobicContact CG-CE1 3.33Å; M47-Y73 HydrophobicContact CG-CE2 3.72Å; M47-Y73 HydrophobicContact CG-CG 4.28Å; M47-Y73 HydrophobicContact SD-CD1 4.2Å; M47-Y73 HydrophobicContact SD-CE1 3.6Å; M47-T79 HydrophobicContact CG-CG2 4.33Å; M47-T79 HydrophobicContact SD-CG2 3.68Å; M47-M83 HydrophobicContact CE-CE 3.76Å; M47-M83 HydrophobicContact SD-CE 3.97Å
48E86.1Confident87.6Confident151 Ų15169 Ų6971%0.70640%0.403SS*.Hα-helixtrans-69.9-20.7-179.5-59.7-175.6164.800112.7N46N46-E48 VanDerWaalsContact C-N 3.32Å; N46-E48 PolarHBondContact O-N 3.02Å; N46-E48 WeakPolarHBondContact OD1-CB 3.42Å; N46-E48 PolarHBondContact OD1-N 3.33Å
49R87.8Confident88.1Confident163 Ų16365.3 Ų65.362%0.61537%0.371SS*.Hα-helixtrans-99.4-6179.2-62.4-165.967.2-172.6-2.4113.1N46 M47 S51 L52 S53N46-R49 HydrophobicContact CB-CB 4.44Å; N46-R49 HydrophobicContact CB-CG 4.47Å; N46-R49 CarbonylContact O-C 3.52Å; N46-R49 WeakPolarHBondContact O-CA 3.34Å; N46-R49 PolarHBondContact O-N 3.24Å; M47-R49 PolarHBondContact O-N 2.9Å; R49-S51 VanDerWaalsContact C-N 3.33Å; R49-S51 PolarHBondContact O-N 3.08Å; R49-L52 CarbonylContact O-C 3.43Å; R49-L52 WeakPolarHBondContact O-CA 3.24Å; R49-L52 PolarHBondContact O-N 3.49Å; R49-S53 PolarHBondContact O-N 2.82Å
50L87.1Confident88.6Confident0 Ų058.1 Ų58.10%033%0.332CS..Hα-helixtrans-58.8-44.4-177.4-171.168.2000111.3L13 V15 E45 N46 M47 L52 S53 E82 M83L13-L50 HydrophobicContact CD2-CD1 4.03Å; V15-L50 HydrophobicContact CG1-CD2 4.32Å; V15-L50 HydrophobicContact CG2-CD1 4.12Å; V15-L50 HydrophobicContact CG2-CD2 4.35Å; E45-L50 HydrophobicContact CB-CD1 4.31Å; N46-L50 PolarHBondContact O-N 2.56Å; M47-L50 WeakPolarHBondContact O-CB 3.21Å; M47-L50 PolarHBondContact O-N 3.18Å; L50-L52 PolarHBondContact O-N 2.99Å; L50-S53 WeakPolarHBondContact O-CB 3.39Å; L50-S53 PolarHBondContact O-N 2.68Å; L50-S53 VanDerWaalsContact O-N 3.09Å; L50-S53 PolarHBondContact O-OG 3.47Å; L50-E82 HydrophobicContact CD2-CB 4.36Å; L50-E82 HydrophobicContact CD2-CG 4.1Å; L50-E82 HydrophobicContact CG-CG 3.76Å; L50-M83 HydrophobicContact CD2-CE 3.98Å; L50-M83 HydrophobicContact CD2-CG 3.9Å
51S84.1Confident88.9Confident73 Ų7357.8 Ų57.851%0.5133%0.326SS..THydrogen-bonded Turntrans-67.2-23.1176.3-50.50000114R49R49-S51 VanDerWaalsContact C-N 3.33Å; R49-S51 PolarHBondContact O-N 3.08Å
52L85Confident89Confident141 Ų14152.8 Ų52.874%0.73830%0.303SS*.THydrogen-bonded Turntrans-91.3-9.2176.3-65.3169.4000112.1R49 L50 S54R49-L52 CarbonylContact O-C 3.43Å; R49-L52 WeakPolarHBondContact O-CA 3.24Å; R49-L52 PolarHBondContact O-N 3.49Å; L50-L52 PolarHBondContact O-N 2.99Å; L52-S54 PolarHBondContact O-N 2.8Å
53S74.6Confident89.1Confident15 Ų1550.8 Ų50.811%0.10529%0.292CS..  trans-75.4122-179.774.20000108.5R49 L50 H55R49-S53 PolarHBondContact O-N 2.82Å; L50-S53 WeakPolarHBondContact O-CB 3.39Å; L50-S53 PolarHBondContact O-N 2.68Å; L50-S53 VanDerWaalsContact O-N 3.09Å; L50-S53 PolarHBondContact O-OG 3.47Å; S53-H55 PolarHBondContact O-N 3.48Å; S53-H55 PolarHBondContact OG-CD2 3.17Å
54S79.2Confident89.2Confident127 Ų12750.1 Ų50.189%0.88829%0.287SS*.  trans-79.937.7-179.848.60000112.1L52 A56L52-S54 PolarHBondContact O-N 2.8Å; S54-A56 PolarHBondContact O-N 3.43Å
55H88.1Confident89.2Confident39 Ų3947.4 Ų47.418%0.18127%0.27CS..PPolyproline II helixtrans-63.1137.8176.4-72.2-50.9000110E45 S53 F60 R85 V86E45-H55 VanDerWaalsContact CG-NE2 3.31Å; E45-H55 WeakPolarHBondContact CG-NE2 3.31Å; E45-H55 IonicContact OE1-CD2 3.99Å; E45-H55 IonicContact OE1-CE1 3.43Å; E45-H55 PolarHBondContact OE1-CE1 2.92Å; E45-H55 IonicContact OE1-NE2 2.83Å; E45-H55 PolarHBondContact OE1-NE2 2.96Å; S53-H55 PolarHBondContact O-N 3.48Å; S53-H55 PolarHBondContact OG-CD2 3.17Å; H55-F60 HydrophobicContact CB-CE2 4.18Å; H55-F60 AromaticContact CG-CE2 3.89Å; H55-F60 AromaticContact ND1-CE2 3.98Å; H55-F60 AromaticContact ND1-CZ 3.98Å; H55-R85 PolarHBondContact O-NH1 3.23Å; H55-R85 PolarHBondContact O-NH2 3.1Å; H55-V86 HydrophobicContact CB-CG1 3.89Å
56A89.7Confident88.9Confident65 Ų6545.3 Ų45.354%0.53726%0.26SS..PPolyproline II helixtrans-62.1146.9174.600000110S54 S59S54-A56 PolarHBondContact O-N 3.43Å; A56-S59 PolarHBondContact O-OG 2.87Å; A56-S59 VanDerWaalsContact O-OG 3.08Å
57A90.4Very high88.5Confident61 Ų6145 Ų4550%0.50426%0.259SS..THydrogen-bonded Turntrans-63.3147.317200000110S59 R85A57-S59 PolarHBondContact O-N 2.79Å; A57-R85 WeakPolarHBondContact CA-O 3.41Å; A57-R85 HydrophobicContact CB-CG 4.39Å
58S92.8Very high88.1Confident29 Ų2945.5 Ų45.520%0.20326%0.261CS..THydrogen-bonded Turntrans5633.4174.7-62.80000115.4R85 V86 L87 K161 E165S58-R85 PolarHBondContact N-O 3.36Å; S58-V86 CarbonylContact C-O 3.56Å; S58-L87 WeakPolarHBondContact CA-O 3.33Å; S58-L87 PolarHBondContact OG-O 2.83Å; S58-K161 PolarHBondContact OG-NZ 2.86Å; S58-E165 VanDerWaalsContact CB-OE1 3.24Å; S58-E165 WeakPolarHBondContact CB-OE1 3.39Å; S58-E165 PolarHBondContact OG-OE1 3.17Å
59S91.9Very high87.3Confident29 Ų2942 Ų4220%0.20326%0.259CS..  trans-93.5-22.2-175.362.90000114.9K11 A56 A57 V86K11-S59 WeakPolarHBondContact CD-O 3.41Å; A56-S59 PolarHBondContact O-OG 2.87Å; A56-S59 VanDerWaalsContact O-OG 3.08Å; A57-S59 PolarHBondContact O-N 2.79Å; S59-V86 PolarHBondContact N-O 3.5Å
60F94.8Very high86.4Confident5 Ų536.8 Ų36.82%0.02224%0.243CC..EExtended strand (participates in β ladder)trans-113148.2-174.1-63.3-79.6000112.8K11 L13 H55 V86 L87 R88K11-F60 HydrophobicContact CB-CD1 4.09Å; L13-F60 HydrophobicContact CB-CB 4.44Å; L13-F60 HydrophobicContact CB-CD1 3.85Å; L13-F60 HydrophobicContact CB-CD2 4.08Å; L13-F60 HydrophobicContact CB-CE1 4.05Å; L13-F60 HydrophobicContact CB-CE2 4.26Å; L13-F60 HydrophobicContact CB-CG 3.86Å; L13-F60 HydrophobicContact CB-CZ 4.25Å; L13-F60 HydrophobicContact CD1-CE2 4.38Å; L13-F60 HydrophobicContact CD1-CZ 4.16Å; L13-F60 HydrophobicContact CD2-CD2 4.22Å; L13-F60 HydrophobicContact CD2-CE2 4.19Å; H55-F60 HydrophobicContact CB-CE2 4.18Å; H55-F60 AromaticContact CG-CE2 3.89Å; H55-F60 AromaticContact ND1-CE2 3.98Å; H55-F60 AromaticContact ND1-CZ 3.98Å; F60-V86 HydrophobicContact CD2-CB 4.01Å; F60-V86 HydrophobicContact CD2-CG2 4.29Å; F60-V86 HydrophobicContact CE2-CB 4.5Å; F60-V86 PolarHBondContact N-O 2.87Å; F60-L87 CarbonylContact O-C 3.59Å; F60-L87 WeakPolarHBondContact O-CA 3.09Å; F60-R88 WeakPolarHBondContact O-CG 3.43Å; F60-R88 PolarHBondContact O-N 3.09Å
61D94.3Very high85.8Confident13 Ų1336.9 Ų36.97%0.0724%0.243CC..EExtended strand (participates in β ladder)trans-93.7-35.6-178.6-52.1-28.5000110.6D10 K11 R88 G91 K92D10-D61 WeakPolarHBondContact CA-OD2 3.17Å; D10-D61 HydrophobicContact CB-CB 4.42Å; K11-D61 PolarHBondContact N-OD2 3.43Å; K11-D61 PolarHBondContact O-N 2.83Å; D61-R88 WeakPolarHBondContact OD1-CD 3.48Å; D61-R88 IonicContact OD1-CZ 2.88Å; D61-R88 IonicContact OD1-NE 3.07Å; D61-R88 PolarHBondContact OD1-NE 2.59Å; D61-R88 VanDerWaalsContact OD1-NE 3.07Å; D61-R88 IonicContact OD1-NH1 2.59Å; D61-R88 PolarHBondContact OD1-NH1 3Å; D61-R88 IonicContact OD1-NH2 3.71Å; D61-R88 IonicContact OD2-CZ 3.72Å; D61-R88 IonicContact OD2-NH1 3.16Å; D61-R88 PolarHBondContact OD2-NH1 3.26Å; D61-R88 VanDerWaalsContact OD2-NH1 3.16Å; D61-R88 IonicContact OD2-NH2 3.98Å; D61-G91 CarbonylContact O-C 3.49Å; D61-G91 VanDerWaalsContact O-CA 3.27Å; D61-G91 WeakPolarHBondContact O-CA 3.34Å; D61-K92 PolarHBondContact O-N 2.87Å
62W94.2Very high85.4Confident18 Ų1834.5 Ų34.57%0.06823%0.227CC..EExtended strand (participates in β ladder)trans-129137.9177.1-71.488.3000111L4 G5 V6 D10 K11 V12 L13 L64 K92L4-W62 WeakPolarHBondContact O-CH2 3.42Å; G5-W62 WeakPolarHBondContact O-CZ2 3.26Å; V6-W62 HydrophobicContact CG2-CD2 4.17Å; V6-W62 HydrophobicContact CG2-CG 4.32Å; D10-W62 PolarHBondContact OD2-NE1 2.83Å; K11-W62 PolarHBondContact O-N 2.82Å; K11-W62 VanDerWaalsContact O-N 3.16Å; V12-W62 WeakPolarHBondContact CA-O 3.41Å; V12-W62 HydrophobicContact CB-CB 4.44Å; V12-W62 HydrophobicContact CG1-CB 4.11Å; V12-W62 HydrophobicContact CG2-CB 4.15Å; L13-W62 PolarHBondContact N-O 2.83Å; W62-L64 HydrophobicContact CE3-CD2 4.34Å; W62-K92 CarbonylContact C-O 3.59Å; W62-K92 VanDerWaalsContact CA-O 3.28Å; W62-K92 WeakPolarHBondContact CA-O 3.38Å; W62-K92 HydrophobicContact CD2-CB 3.99Å; W62-K92 HydrophobicContact CE3-CB 3.64Å; W62-K92 HydrophobicContact CH2-CB 4.03Å; W62-K92 HydrophobicContact CH2-CD 3.44Å; W62-K92 VanDerWaalsContact CH2-CD 3.44Å; W62-K92 HydrophobicContact CH2-CG 4.39Å; W62-K92 HydrophobicContact CZ2-CB 4.34Å; W62-K92 HydrophobicContact CZ2-CD 3.61Å; W62-K92 HydrophobicContact CZ3-CB 3.65Å; W62-K92 HydrophobicContact CZ3-CD 3.95Å; W62-K92 HydrophobicContact CZ3-CG 4.48Å
63V95.3Very high85.4Confident0 Ų030.3 Ų30.30%020%0.202CC..EExtended strand (participates in β ladder)trans-116.5126.3163174.50000107.5L13 V15 M83 V86 L87 K92 L93 L94L13-V63 HydrophobicContact CB-CG2 4.15Å; L13-V63 HydrophobicContact CD2-CG2 4.2Å; L13-V63 CarbonylContact O-C 3.59Å; L13-V63 WeakPolarHBondContact O-CA 3.46Å; V15-V63 HydrophobicContact CG2-CG1 4.13Å; V63-M83 HydrophobicContact CG1-CB 4.37Å; V63-M83 HydrophobicContact CG1-CG 3.97Å; V63-M83 HydrophobicContact CG1-SD 4.15Å; V63-V86 HydrophobicContact CG2-CG2 4.1Å; V63-L87 HydrophobicContact CB-CD1 4.35Å; V63-L87 HydrophobicContact CB-CD2 4.21Å; V63-L87 HydrophobicContact CB-CG 4.31Å; V63-L87 HydrophobicContact CG2-CD1 4.06Å; V63-L87 HydrophobicContact CG2-CD2 3.6Å; V63-L87 HydrophobicContact CG2-CG 3.54Å; V63-K92 PolarHBondContact N-O 2.89Å; V63-L93 HydrophobicContact CB-CD1 3.78Å; V63-L93 HydrophobicContact CG1-CD1 3.58Å; V63-L93 WeakPolarHBondContact O-CA 3.34Å; V63-L93 WeakPolarHBondContact O-CD1 3.3Å; V63-L94 PolarHBondContact O-N 3.41Å
64L93.5Very high86Confident0 Ų032.2 Ų32.20%021%0.21CC..EExtended strand (participates in β ladder)trans-113.8111.1177.1-58.5-177.6000107.6V12 L13 L14 V15 L32 W62 L67 L94V12-L64 HydrophobicContact CG1-CD1 3.74Å; V12-L64 HydrophobicContact CG1-CG 3.92Å; L13-L64 PolarHBondContact O-N 2.78Å; L14-L64 HydrophobicContact CD1-CB 4.14Å; V15-L64 PolarHBondContact N-O 2.95Å; L32-L64 HydrophobicContact CD1-CD1 3.87Å; L32-L64 HydrophobicContact CD2-CD1 3.58Å; L32-L64 HydrophobicContact CG-CD1 4.4Å; W62-L64 HydrophobicContact CE3-CD2 4.34Å; L64-L67 HydrophobicContact CB-CD1 3.73Å; L64-L67 HydrophobicContact CB-CD2 4.32Å; L64-L67 HydrophobicContact CD2-CD2 4.26Å; L64-L94 CarbonylContact C-O 3.59Å; L64-L94 WeakPolarHBondContact CA-O 3.46Å; L64-L94 HydrophobicContact CD2-CB 3.75Å; L64-L94 HydrophobicContact CD2-CD2 4.24Å
65S92.9Very high86.5Confident0 Ų026.2 Ų26.20%017%0.168CC..EExtended strand (participates in β ladder)trans-115.3123.7-175.6-172.40000113.5M47 L67 H75 M83 L94 L95 D96M47-S65 VanDerWaalsContact CE-OG 3.24Å; M47-S65 WeakPolarHBondContact CE-OG 3.41Å; S65-L67 VanDerWaalsContact C-N 3.29Å; S65-L67 VanDerWaalsContact N-CD1 3.25Å; S65-L67 WeakPolarHBondContact O-CD1 3.47Å; S65-L67 PolarHBondContact O-N 2.89Å; S65-H75 PolarHBondContact OG-CD2 3.32Å; S65-H75 PolarHBondContact OG-NE2 2.92Å; S65-M83 WeakPolarHBondContact OG-CE 3.37Å; S65-L94 PolarHBondContact N-O 2.82Å; S65-L95 WeakPolarHBondContact O-CA 3.42Å; S65-D96 PolarHBondContact O-N 2.98Å
66C86.3Confident86.7Confident1 Ų126.1 Ų26.11%0.00717%0.171CC..SBendtrans60.327.6173.5-59.30000115.6V15 L68 C71 D96V15-C66 PolarHBondContact O-N 3.48Å; C66-L68 PolarHBondContact O-N 3.46Å; C66-L68 VanDerWaalsContact O-N 3.08Å; C66-C71 HydrophobicContact CB-CB 3.9Å; C66-D96 WeakPolarHBondContact CB-O 3.5Å; C66-D96 WeakPolarHBondContact O-CB 3.32Å
67L82.3Confident86.7Confident14 Ų1427.4 Ų27.47%0.07317%0.174CC..  trans-67.5-5-179.3-79.976.5000115L4 Y28 L64 S65 L94L4-L67 HydrophobicContact CD1-CD2 4.28Å; L4-L67 HydrophobicContact CD2-CD2 4.24Å; Y28-L67 HydrophobicContact CE1-CB 4.44Å; Y28-L67 WeakPolarHBondContact OH-CD2 3.41Å; L64-L67 HydrophobicContact CB-CD1 3.73Å; L64-L67 HydrophobicContact CB-CD2 4.32Å; L64-L67 HydrophobicContact CD2-CD2 4.26Å; S65-L67 VanDerWaalsContact C-N 3.29Å; S65-L67 VanDerWaalsContact N-CD1 3.25Å; S65-L67 WeakPolarHBondContact O-CD1 3.47Å; S65-L67 PolarHBondContact O-N 2.89Å; L67-L94 WeakPolarHBondContact CD1-O 3.45Å; L67-L94 HydrophobicContact CD2-CD2 4.01Å
68L79.7Confident86.7Confident11 Ų1129.9 Ų29.96%0.05818%0.179CC..SBendtrans-81.5143.3178.9-58.4175.8000110.7T24 L25 Y28 C66 D70 C71T24-L68 HydrophobicContact CG2-CD2 4.14Å; L25-L68 HydrophobicContact CB-CD1 4.48Å; L25-L68 HydrophobicContact CD1-CD1 4.07Å; Y28-L68 HydrophobicContact CD1-CD2 4.33Å; Y28-L68 HydrophobicContact CD2-CD2 4.29Å; Y28-L68 HydrophobicContact CG-CD2 3.97Å; C66-L68 PolarHBondContact O-N 3.46Å; C66-L68 VanDerWaalsContact O-N 3.08Å; L68-D70 VanDerWaalsContact CB-OD1 3.28Å; L68-D70 WeakPolarHBondContact CB-OD1 3.31Å; L68-D70 PolarHBondContact O-N 3.21Å; L68-D70 VanDerWaalsContact O-N 3.1Å; L68-C71 WeakPolarHBondContact O-CB 3.44Å; L68-C71 PolarHBondContact O-N 2.91Å; L68-C71 VanDerWaalsContact O-N 3.16Å
69A69.7Low86.7Confident79 Ų7928.7 Ų28.765%0.65317%0.171SC*.THydrogen-bonded Turntrans-64.5-20.2-170.200000114.2R154A69-R154 VanDerWaalsContact C-NH1 3.29Å; A69-R154 VanDerWaalsContact CA-NH1 3.32Å; A69-R154 VanDerWaalsContact O-CZ 3.26Å; A69-R154 PolarHBondContact O-NH1 2.9Å; A69-R154 PolarHBondContact O-NH2 3.44Å
70D69.9Low86.7Confident53 Ų5327.4 Ų27.428%0.28316%0.161SC..THydrogen-bonded Turntrans-92.9-9.3-178.648.313.4000114S20 L68 S72S20-D70 VanDerWaalsContact CA-OD2 3.27Å; S20-D70 WeakPolarHBondContact CA-OD2 3.34Å; L68-D70 VanDerWaalsContact CB-OD1 3.28Å; L68-D70 WeakPolarHBondContact CB-OD1 3.31Å; L68-D70 PolarHBondContact O-N 3.21Å; L68-D70 VanDerWaalsContact O-N 3.1Å; D70-S72 PolarHBondContact O-N 3.38Å
71C73.2Confident86.6Confident1 Ų129.5 Ų29.51%0.00718%0.18CC..  trans-74.5118.1-174.5-70.20000112.4T17 C66 L68 R154T17-C71 HydrophobicContact CG2-CB 3.73Å; C66-C71 HydrophobicContact CB-CB 3.9Å; L68-C71 WeakPolarHBondContact O-CB 3.44Å; L68-C71 PolarHBondContact O-N 2.91Å; L68-C71 VanDerWaalsContact O-N 3.16Å; C71-R154 PolarHBondContact O-NH2 2.95Å
72S76.1Confident86.5Confident23 Ų2330.2 Ų30.216%0.16118%0.183CC..  trans-10416179.552.30000114.4D70 L141D70-S72 PolarHBondContact O-N 3.38Å; S72-L141 VanDerWaalsContact CB-CD1 3.43Å
73Y84.4Confident86.4Confident54 Ų5429.3 Ų29.321%0.21218%0.18CC..  trans-74.4141.9-169.7-169.8-98.8000113.3T17 M47T17-Y73 HydrophobicContact CG2-CG 4.44Å; M47-Y73 HydrophobicContact CE-CD1 3.67Å; M47-Y73 HydrophobicContact CE-CE1 3.69Å; M47-Y73 HydrophobicContact CG-CD1 3.88Å; M47-Y73 HydrophobicContact CG-CD2 4.2Å; M47-Y73 HydrophobicContact CG-CE1 3.33Å; M47-Y73 HydrophobicContact CG-CE2 3.72Å; M47-Y73 HydrophobicContact CG-CG 4.28Å; M47-Y73 HydrophobicContact SD-CD1 4.2Å; M47-Y73 HydrophobicContact SD-CE1 3.6Å
74I87.4Confident86.3Confident55 Ų5530 Ų3028%0.28218%0.183SC..  trans-106.5115.1174-55177.8000107.8S76 T106 M107I74-S76 PolarHBondContact O-N 3.47Å; I74-S76 VanDerWaalsContact O-N 3.17Å; I74-T106 WeakPolarHBondContact CD1-O 3.13Å; I74-M107 HydrophobicContact CD1-CE 3.95Å; I74-M107 HydrophobicContact CD1-CG 4.43Å; I74-M107 HydrophobicContact CG1-CE 4.29Å
75H90.5Very high86.3Confident0 Ų034 Ų340%020%0.199CC..  trans-64.8111.5-177.5-5983.7000113.2S65 L80 E97 R108S65-H75 PolarHBondContact OG-CD2 3.32Å; S65-H75 PolarHBondContact OG-NE2 2.92Å; H75-L80 HydrophobicContact CB-CD1 4.36Å; H75-L80 HydrophobicContact CB-CD2 3.81Å; H75-L80 HydrophobicContact CB-CG 3.96Å; H75-E97 IonicContact CE1-OE2 2.66Å; H75-E97 IonicContact CG-OE2 2.74Å; H75-E97 PolarHBondContact N-OE2 2.96Å; H75-E97 VanDerWaalsContact N-OE2 3.1Å; H75-E97 IonicContact ND1-OE2 3.5Å; H75-E97 PolarHBondContact ND1-OE2 2.87Å; H75-R108 VanDerWaalsContact O-CZ 3.27Å; H75-R108 PolarHBondContact O-NH1 3.33Å; H75-R108 PolarHBondContact O-NH2 3.42Å
76S90.8Very high86.3Confident37 Ų3734 Ų3426%0.25920%0.199SC..  trans-65.7156171.170.70000111.6I74 D78 T79 L80I74-S76 PolarHBondContact O-N 3.47Å; I74-S76 VanDerWaalsContact O-N 3.17Å; S76-D78 PolarHBondContact O-N 3.48Å; S76-T79 PolarHBondContact N-OG1 3.34Å; S76-T79 VanDerWaalsContact N-OG1 3.15Å; S76-T79 PolarHBondContact O-N 3.36Å; S76-T79 PolarHBondContact O-OG1 2.93Å; S76-T79 WeakPolarHBondContact OG-CG2 3.38Å; S76-T79 PolarHBondContact OG-N 2.71Å; S76-T79 PolarHBondContact OG-OG1 3.06Å; S76-T79 VanDerWaalsContact OG-OG1 3.06Å; S76-L80 WeakPolarHBondContact O-CG 3.44Å; S76-L80 PolarHBondContact O-N 2.88Å; S76-L80 VanDerWaalsContact O-N 3.12Å
77P90.4Very high86.7Confident92 Ų9234 Ų3460%0.59720%0.198SC*.Hα-helixtrans-57.7-33.7174.424-34.4000112.6L80 A81P77-L80 PolarHBondContact O-N 2.76Å; P77-A81 WeakPolarHBondContact O-CB 3.48Å; P77-A81 PolarHBondContact O-N 3.25Å
78D91.1Very high87.2Confident113 Ų11338.1 Ų38.160%0.60421%0.213SC*.Hα-helixtrans-66.8-41.7178.9-52.8-66000112.3S76 A81 E82S76-D78 PolarHBondContact O-N 3.48Å; D78-A81 PolarHBondContact O-N 2.88Å; D78-E82 WeakPolarHBondContact O-CB 3.34Å; D78-E82 PolarHBondContact O-N 3.08Å
79T92Very high87.9Confident5 Ų539.9 Ų39.93%0.03123%0.225CC..Hα-helixtrans-68.2-38.8176.951.90000111M47 S76 E82 M83M47-T79 HydrophobicContact CG-CG2 4.33Å; M47-T79 HydrophobicContact SD-CG2 3.68Å; S76-T79 PolarHBondContact N-OG1 3.34Å; S76-T79 VanDerWaalsContact N-OG1 3.15Å; S76-T79 PolarHBondContact O-N 3.36Å; S76-T79 PolarHBondContact O-OG1 2.93Å; S76-T79 WeakPolarHBondContact OG-CG2 3.38Å; S76-T79 PolarHBondContact OG-N 2.71Å; S76-T79 PolarHBondContact OG-OG1 3.06Å; S76-T79 VanDerWaalsContact OG-OG1 3.06Å; T79-E82 PolarHBondContact O-N 3.16Å; T79-M83 VanDerWaalsContact O-CG 3.25Å; T79-M83 WeakPolarHBondContact O-CG 3.4Å; T79-M83 PolarHBondContact O-N 2.98Å
80L93.2Very high88.9Confident1 Ų137.7 Ų37.71%0.00521%0.21CC..Hα-helixtrans-63.5-43.2173.4-66.1177.4000112.2H75 S76 P77 E82 M83 V84 A116 L117 F122H75-L80 HydrophobicContact CB-CD1 4.36Å; H75-L80 HydrophobicContact CB-CD2 3.81Å; H75-L80 HydrophobicContact CB-CG 3.96Å; S76-L80 WeakPolarHBondContact O-CG 3.44Å; S76-L80 PolarHBondContact O-N 2.88Å; S76-L80 VanDerWaalsContact O-N 3.12Å; P77-L80 PolarHBondContact O-N 2.76Å; L80-E82 VanDerWaalsContact C-N 3.31Å; L80-E82 PolarHBondContact O-N 3.17Å; L80-M83 HydrophobicContact CD2-SD 4.36Å; L80-M83 WeakPolarHBondContact O-CB 3.22Å; L80-M83 PolarHBondContact O-N 2.91Å; L80-V84 WeakPolarHBondContact O-CG2 3.32Å; L80-V84 PolarHBondContact O-N 2.6Å; L80-A116 HydrophobicContact CD1-CB 4.49Å; L80-L117 HydrophobicContact CD1-CD2 4.22Å; L80-L117 HydrophobicContact CD2-CD2 3.78Å; L80-F122 HydrophobicContact CB-CE2 4.48Å
81A91.8Very high90Very high50 Ų5035.2 Ų35.241%0.41320%0.197SC..Hα-helixtrans-62.4-40.1176.800000111.6P77 D78 V84 R85P77-A81 WeakPolarHBondContact O-CB 3.48Å; P77-A81 PolarHBondContact O-N 3.25Å; D78-A81 PolarHBondContact O-N 2.88Å; A81-V84 WeakPolarHBondContact O-CB 3.41Å; A81-V84 PolarHBondContact O-N 3.41Å; A81-R85 PolarHBondContact O-N 2.89Å
82E92Very high91Very high27 Ų2739.9 Ų39.913%0.12622%0.217CC..Hα-helixtrans-65.3-39.9175.9-175.356.1-155.300112L50 D78 T79 L80 V84 R85 V86L50-E82 HydrophobicContact CD2-CB 4.36Å; L50-E82 HydrophobicContact CD2-CG 4.1Å; L50-E82 HydrophobicContact CG-CG 3.76Å; D78-E82 WeakPolarHBondContact O-CB 3.34Å; D78-E82 PolarHBondContact O-N 3.08Å; T79-E82 PolarHBondContact O-N 3.16Å; L80-E82 VanDerWaalsContact C-N 3.31Å; L80-E82 PolarHBondContact O-N 3.17Å; E82-V84 VanDerWaalsContact C-N 3.34Å; E82-V84 PolarHBondContact O-N 2.86Å; E82-R85 VanDerWaalsContact CD-NE 3.27Å; E82-R85 WeakPolarHBondContact O-CB 3.46Å; E82-R85 PolarHBondContact O-N 2.94Å; E82-R85 VanDerWaalsContact O-N 3.14Å; E82-R85 IonicContact OE1-CZ 3.15Å; E82-R85 IonicContact OE1-NE 2.98Å; E82-R85 PolarHBondContact OE1-NE 2.95Å; E82-R85 IonicContact OE1-NH2 2.6Å; E82-R85 PolarHBondContact OE1-NH2 3.14Å; E82-R85 IonicContact OE2-CZ 3.79Å; E82-R85 IonicContact OE2-NE 2.86Å; E82-R85 PolarHBondContact OE2-NE 3.03Å; E82-R85 IonicContact OE2-NH2 3.89Å; E82-V86 PolarHBondContact O-N 2.93Å; E82-V86 VanDerWaalsContact O-N 3.1Å
83M92.9Very high91.9Very high0 Ų038.8 Ų38.80%021%0.209CC..Hα-helixtrans-61.3-40.3172-67.9173.9-172.200112.3V15 M47 L50 V63 S65 T79 L80 R85 V86 L87 L93 F122V15-M83 HydrophobicContact CB-CE 4.38Å; V15-M83 HydrophobicContact CG1-CE 4.23Å; V15-M83 HydrophobicContact CG2-CE 4.34Å; M47-M83 HydrophobicContact CE-CE 3.76Å; M47-M83 HydrophobicContact SD-CE 3.97Å; L50-M83 HydrophobicContact CD2-CE 3.98Å; L50-M83 HydrophobicContact CD2-CG 3.9Å; V63-M83 HydrophobicContact CG1-CB 4.37Å; V63-M83 HydrophobicContact CG1-CG 3.97Å; V63-M83 HydrophobicContact CG1-SD 4.15Å; S65-M83 WeakPolarHBondContact OG-CE 3.37Å; T79-M83 VanDerWaalsContact O-CG 3.25Å; T79-M83 WeakPolarHBondContact O-CG 3.4Å; T79-M83 PolarHBondContact O-N 2.98Å; L80-M83 HydrophobicContact CD2-SD 4.36Å; L80-M83 WeakPolarHBondContact O-CB 3.22Å; L80-M83 PolarHBondContact O-N 2.91Å; M83-R85 VanDerWaalsContact C-N 3.32Å; M83-R85 PolarHBondContact O-N 3.41Å; M83-V86 WeakPolarHBondContact O-CG2 3.36Å; M83-L87 WeakPolarHBondContact O-CB 3.35Å; M83-L87 WeakPolarHBondContact O-CD1 3.36Å; M83-L87 VanDerWaalsContact O-CG 3.3Å; M83-L87 WeakPolarHBondContact O-CG 3.31Å; M83-L87 PolarHBondContact O-N 3.45Å; M83-L93 HydrophobicContact SD-CD1 3.94Å; M83-L93 HydrophobicContact SD-CD2 4.42Å; M83-F122 HydrophobicContact CB-CZ 4.27Å
84V93.2Very high92.3Very high13 Ų1336.5 Ų36.58%0.07920%0.201CC..Hα-helixtrans-63.3-39.4173.5175.40000111.1L80 A81 E82 F122 K161L80-V84 WeakPolarHBondContact O-CG2 3.32Å; L80-V84 PolarHBondContact O-N 2.6Å; A81-V84 WeakPolarHBondContact O-CB 3.41Å; A81-V84 PolarHBondContact O-N 3.41Å; E82-V84 VanDerWaalsContact C-N 3.34Å; E82-V84 PolarHBondContact O-N 2.86Å; V84-F122 HydrophobicContact CB-CZ 4.3Å; V84-F122 HydrophobicContact CG2-CD1 4.15Å; V84-F122 HydrophobicContact CG2-CD2 3.79Å; V84-F122 HydrophobicContact CG2-CE1 3.67Å; V84-F122 HydrophobicContact CG2-CE2 3.25Å; V84-F122 HydrophobicContact CG2-CG 4.2Å; V84-F122 HydrophobicContact CG2-CZ 3.17Å; V84-K161 HydrophobicContact CG1-CD 4.28Å; V84-K161 HydrophobicContact CG1-CG 4.35Å; V84-K161 WeakPolarHBondContact O-CD 3.15Å; V84-K161 VanDerWaalsContact O-CE 3.31Å; V84-K161 WeakPolarHBondContact O-CE 3.45Å; V84-K161 PolarHBondContact O-NZ 3.06Å
85R92.2Very high92.6Very high86 Ų8633.9 Ų33.933%0.32519%0.188SC..Hα-helixtrans-61.5-46.5-179.9-169.8-173.271.376.7-3.4111.7H55 A57 S58 A81 E82 M83H55-R85 PolarHBondContact O-NH1 3.23Å; H55-R85 PolarHBondContact O-NH2 3.1Å; A57-R85 WeakPolarHBondContact CA-O 3.41Å; A57-R85 HydrophobicContact CB-CG 4.39Å; S58-R85 PolarHBondContact N-O 3.36Å; A81-R85 PolarHBondContact O-N 2.89Å; E82-R85 VanDerWaalsContact CD-NE 3.27Å; E82-R85 WeakPolarHBondContact O-CB 3.46Å; E82-R85 PolarHBondContact O-N 2.94Å; E82-R85 VanDerWaalsContact O-N 3.14Å; E82-R85 IonicContact OE1-CZ 3.15Å; E82-R85 IonicContact OE1-NE 2.98Å; E82-R85 PolarHBondContact OE1-NE 2.95Å; E82-R85 IonicContact OE1-NH2 2.6Å; E82-R85 PolarHBondContact OE1-NH2 3.14Å; E82-R85 IonicContact OE2-CZ 3.79Å; E82-R85 IonicContact OE2-NE 2.86Å; E82-R85 PolarHBondContact OE2-NE 3.03Å; E82-R85 IonicContact OE2-NH2 3.89Å; M83-R85 VanDerWaalsContact C-N 3.32Å; M83-R85 PolarHBondContact O-N 3.41Å
86V93.5Very high92.6Very high0 Ų034.2 Ų34.20%019%0.189CC..Hα-helixtrans-79.5-21.3-175.6-57.90000113.8L13 H55 S58 S59 F60 V63 E82 M83L13-V86 HydrophobicContact CD2-CG2 3.84Å; H55-V86 HydrophobicContact CB-CG1 3.89Å; S58-V86 CarbonylContact C-O 3.56Å; S59-V86 PolarHBondContact N-O 3.5Å; F60-V86 HydrophobicContact CD2-CB 4.01Å; F60-V86 HydrophobicContact CD2-CG2 4.29Å; F60-V86 HydrophobicContact CE2-CB 4.5Å; F60-V86 PolarHBondContact N-O 2.87Å; V63-V86 HydrophobicContact CG2-CG2 4.1Å; E82-V86 PolarHBondContact O-N 2.93Å; E82-V86 VanDerWaalsContact O-N 3.1Å; M83-V86 WeakPolarHBondContact O-CG2 3.36Å
87L94.5Very high92.6Very high0 Ų032.5 Ų32.50%018%0.177CC..EExtended strand (participates in β ladder)trans-72.3137.8174.9-82.5167.9000112.2S58 F60 V63 M83 L93 F122 K161S58-L87 WeakPolarHBondContact CA-O 3.33Å; S58-L87 PolarHBondContact OG-O 2.83Å; F60-L87 CarbonylContact O-C 3.59Å; F60-L87 WeakPolarHBondContact O-CA 3.09Å; V63-L87 HydrophobicContact CB-CD1 4.35Å; V63-L87 HydrophobicContact CB-CD2 4.21Å; V63-L87 HydrophobicContact CB-CG 4.31Å; V63-L87 HydrophobicContact CG2-CD1 4.06Å; V63-L87 HydrophobicContact CG2-CD2 3.6Å; V63-L87 HydrophobicContact CG2-CG 3.54Å; M83-L87 WeakPolarHBondContact O-CB 3.35Å; M83-L87 WeakPolarHBondContact O-CD1 3.36Å; M83-L87 VanDerWaalsContact O-CG 3.3Å; M83-L87 WeakPolarHBondContact O-CG 3.31Å; M83-L87 PolarHBondContact O-N 3.45Å; L87-L93 HydrophobicContact CD1-CB 4.14Å; L87-F122 HydrophobicContact CD1-CE1 3.72Å; L87-F122 HydrophobicContact CD1-CZ 4.33Å; L87-K161 HydrophobicContact CB-CB 4.27Å; L87-K161 HydrophobicContact CB-CD 3.9Å; L87-K161 WeakPolarHBondContact O-CD 3.4Å; L87-K161 WeakPolarHBondContact O-CE 3.49Å; L87-K161 PolarHBondContact O-NZ 3.15Å
88R93.5Very high92.5Very high101 Ų10128.1 Ų28.138%0.38115%0.149SC..EExtended strand (participates in β ladder)trans-68157.6169.972.7170.8-179.6-149.4-3.6111.4F60 D61 G90 G91F60-R88 WeakPolarHBondContact O-CG 3.43Å; F60-R88 PolarHBondContact O-N 3.09Å; D61-R88 WeakPolarHBondContact OD1-CD 3.48Å; D61-R88 IonicContact OD1-CZ 2.88Å; D61-R88 IonicContact OD1-NE 3.07Å; D61-R88 PolarHBondContact OD1-NE 2.59Å; D61-R88 VanDerWaalsContact OD1-NE 3.07Å; D61-R88 IonicContact OD1-NH1 2.59Å; D61-R88 PolarHBondContact OD1-NH1 3Å; D61-R88 IonicContact OD1-NH2 3.71Å; D61-R88 IonicContact OD2-CZ 3.72Å; D61-R88 IonicContact OD2-NH1 3.16Å; D61-R88 PolarHBondContact OD2-NH1 3.26Å; D61-R88 VanDerWaalsContact OD2-NH1 3.16Å; D61-R88 IonicContact OD2-NH2 3.98Å; R88-G90 PolarHBondContact O-N 2.97Å; R88-G91 WeakPolarHBondContact O-CA 3.46Å; R88-G91 PolarHBondContact O-N 2.96Å
89P93.1Very high92.3Very high48 Ų4822.9 Ų22.931%0.31212%0.121SC..EExtended strand (participates in β ladder)trans-52.7129.5169.6-25.535.2000111.4G91 P162 E165P89-G91 PolarHBondContact O-N 3.02Å; P89-P162 WeakPolarHBondContact CA-O 3.25Å; P89-E165 HydrophobicContact CG-CG 3.85Å
90G91.1Very high92Very high32 Ų3222.8 Ų22.833%0.3312%0.12SC..EExtended strand (participates in β ladder)trans74.83.2-173.600000115.3R88 K161 P162 N163R88-G90 PolarHBondContact O-N 2.97Å; G90-K161 VanDerWaalsContact CA-O 3.26Å; G90-K161 WeakPolarHBondContact CA-O 3.33Å; G90-K161 PolarHBondContact N-O 2.88Å; G90-P162 PolarHBondContact N-O 3.45Å; G90-N163 WeakPolarHBondContact CA-OD1 3.49Å; G90-N163 PolarHBondContact N-OD1 2.7Å
91G93.3Very high91.2Very high1 Ų125.7 Ų25.71%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-64.7157.7172.300000112.1D61 R88 P89 S160 K161D61-G91 CarbonylContact O-C 3.49Å; D61-G91 VanDerWaalsContact O-CA 3.27Å; D61-G91 WeakPolarHBondContact O-CA 3.34Å; R88-G91 WeakPolarHBondContact O-CA 3.46Å; R88-G91 PolarHBondContact O-N 2.96Å; P89-G91 PolarHBondContact O-N 3.02Å; G91-S160 CarbonylContact O-C 3.59Å; G91-S160 VanDerWaalsContact O-CA 3.31Å; G91-S160 WeakPolarHBondContact O-CA 3.36Å; G91-K161 PolarHBondContact O-N 3.26Å
92K93.9Very high90.5Very high99 Ų9927.5 Ų27.543%0.4316%0.156SC..EExtended strand (participates in β ladder)trans-114.3139.5-174.2-68179.8179.1-1780111.7D61 W62 V63 A159D61-K92 PolarHBondContact O-N 2.87Å; W62-K92 CarbonylContact C-O 3.59Å; W62-K92 VanDerWaalsContact CA-O 3.28Å; W62-K92 WeakPolarHBondContact CA-O 3.38Å; W62-K92 HydrophobicContact CD2-CB 3.99Å; W62-K92 HydrophobicContact CE3-CB 3.64Å; W62-K92 HydrophobicContact CH2-CB 4.03Å; W62-K92 HydrophobicContact CH2-CD 3.44Å; W62-K92 VanDerWaalsContact CH2-CD 3.44Å; W62-K92 HydrophobicContact CH2-CG 4.39Å; W62-K92 HydrophobicContact CZ2-CB 4.34Å; W62-K92 HydrophobicContact CZ2-CD 3.61Å; W62-K92 HydrophobicContact CZ3-CB 3.65Å; W62-K92 HydrophobicContact CZ3-CD 3.95Å; W62-K92 HydrophobicContact CZ3-CG 4.48Å; V63-K92 PolarHBondContact N-O 2.89Å; K92-A159 CarbonylContact C-O 3.55Å; K92-A159 WeakPolarHBondContact CA-O 3.38Å
93L94.9Very high89.4Confident0 Ų032.6 Ų32.60%018%0.18CC..EExtended strand (participates in β ladder)trans-108.8131.7170.9172.963.8000108.3V63 M83 L87 L95 L117 F122 S158 A159V63-L93 HydrophobicContact CB-CD1 3.78Å; V63-L93 HydrophobicContact CG1-CD1 3.58Å; V63-L93 WeakPolarHBondContact O-CA 3.34Å; V63-L93 WeakPolarHBondContact O-CD1 3.3Å; M83-L93 HydrophobicContact SD-CD1 3.94Å; M83-L93 HydrophobicContact SD-CD2 4.42Å; L87-L93 HydrophobicContact CD1-CB 4.14Å; L93-L95 HydrophobicContact CD1-CB 4.45Å; L93-L95 HydrophobicContact CD2-CD2 3.62Å; L93-L95 HydrophobicContact CG-CD2 4.04Å; L93-L117 HydrophobicContact CD2-CD2 4.08Å; L93-F122 HydrophobicContact CB-CD1 4.32Å; L93-F122 HydrophobicContact CB-CE1 3.73Å; L93-F122 HydrophobicContact CB-CZ 4.2Å; L93-F122 HydrophobicContact CD2-CD1 4.29Å; L93-F122 HydrophobicContact CD2-CD2 4.28Å; L93-F122 HydrophobicContact CD2-CE1 3.62Å; L93-F122 HydrophobicContact CD2-CE2 3.6Å; L93-F122 HydrophobicContact CD2-CZ 3.24Å; L93-F122 HydrophobicContact CG-CE1 4.31Å; L93-F122 HydrophobicContact CG-CZ 4.3Å; L93-S158 CarbonylContact O-C 3.59Å; L93-S158 WeakPolarHBondContact O-CA 3.14Å; L93-A159 HydrophobicContact CB-CB 4.49Å; L93-A159 PolarHBondContact N-O 2.83Å; L93-A159 PolarHBondContact O-N 3.1Å
94L93.9Very high88.3Confident7 Ų734 Ų344%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-121.3123.2164.9-169.264.2000108L4 V63 L64 S65 L67 V128 R156L4-L94 HydrophobicContact CB-CD2 4.5Å; L4-L94 HydrophobicContact CD2-CD2 3.43Å; L4-L94 VanDerWaalsContact CD2-CD2 3.43Å; L4-L94 HydrophobicContact CG-CD2 4.45Å; V63-L94 PolarHBondContact O-N 3.41Å; L64-L94 CarbonylContact C-O 3.59Å; L64-L94 WeakPolarHBondContact CA-O 3.46Å; L64-L94 HydrophobicContact CD2-CB 3.75Å; L64-L94 HydrophobicContact CD2-CD2 4.24Å; S65-L94 PolarHBondContact N-O 2.82Å; L67-L94 WeakPolarHBondContact CD1-O 3.45Å; L67-L94 HydrophobicContact CD2-CD2 4.01Å; L94-V128 HydrophobicContact CD1-CG2 4.26Å; L94-R156 HydrophobicContact CD1-CG 3.6Å; L94-R156 HydrophobicContact CG-CG 4.17Å
95L92.9Very high87.1Confident0 Ų043.2 Ų43.20%023%0.234CC..EExtended strand (participates in β ladder)trans-133.1145.2-17973.898.7000111.1S65 L93 E97 L113 L117 R156 I157S65-L95 WeakPolarHBondContact O-CA 3.42Å; L93-L95 HydrophobicContact CD1-CB 4.45Å; L93-L95 HydrophobicContact CD2-CD2 3.62Å; L93-L95 HydrophobicContact CG-CD2 4.04Å; L95-E97 HydrophobicContact CD1-CB 4.12Å; L95-L113 HydrophobicContact CD1-CD1 4.41Å; L95-L113 HydrophobicContact CD1-CD2 4.22Å; L95-L117 HydrophobicContact CD2-CD1 3.91Å; L95-L117 HydrophobicContact CD2-CD2 3.45Å; L95-L117 VanDerWaalsContact CD2-CD2 3.45Å; L95-L117 HydrophobicContact CD2-CG 4.25Å; L95-R156 WeakPolarHBondContact O-CA 3.34Å; L95-I157 HydrophobicContact CG-CB 4.37Å; L95-I157 PolarHBondContact N-O 2.88Å; L95-I157 PolarHBondContact O-N 2.81Å
96D91.1Very high86.1Confident7 Ų742.4 Ų42.44%0.03724%0.239CC..EExtended strand (participates in β ladder)trans-112.4130.7172.4-79.63.4000109.3S65 C66 R154 R156S65-D96 PolarHBondContact O-N 2.98Å; C66-D96 WeakPolarHBondContact CB-O 3.5Å; C66-D96 WeakPolarHBondContact O-CB 3.32Å; D96-R154 HydrophobicContact CB-CG 4.22Å; D96-R156 WeakPolarHBondContact OD1-CA 3.44Å; D96-R156 WeakPolarHBondContact OD1-CB 3.42Å; D96-R156 WeakPolarHBondContact OD1-CG 3.39Å; D96-R156 IonicContact OD1-CZ 3.62Å; D96-R156 IonicContact OD1-NE 3.88Å; D96-R156 PolarHBondContact OD1-NE 2.94Å; D96-R156 IonicContact OD1-NH2 3.63Å; D96-R156 IonicContact OD2-CZ 3.5Å; D96-R156 IonicContact OD2-NE 2.75Å; D96-R156 PolarHBondContact OD2-NE 3.48Å; D96-R156 IonicContact OD2-NH2 3.41Å; D96-R156 PolarHBondContact OD2-NH2 2.71Å
97E90.2Very high85.4Confident0 Ų042.7 Ų42.70%024%0.24CC..EExtended strand (participates in β ladder)trans-141.3139.2177.5-167.9172.2126.100111.8H75 L95 V99 R108 L113 V155H75-E97 IonicContact CE1-OE2 2.66Å; H75-E97 IonicContact CG-OE2 2.74Å; H75-E97 PolarHBondContact N-OE2 2.96Å; H75-E97 VanDerWaalsContact N-OE2 3.1Å; H75-E97 IonicContact ND1-OE2 3.5Å; H75-E97 PolarHBondContact ND1-OE2 2.87Å; L95-E97 HydrophobicContact CD1-CB 4.12Å; E97-V99 PolarHBondContact O-N 2.87Å; E97-R108 IonicContact OE1-CZ 3.84Å; E97-R108 IonicContact OE1-NE 2.86Å; E97-R108 PolarHBondContact OE1-NE 3.15Å; E97-R108 IonicContact OE1-NH2 3.16Å; E97-R108 PolarHBondContact OE1-NH2 3.48Å; E97-R108 IonicContact OE2-CZ 2.73Å; E97-R108 IonicContact OE2-NE 2.69Å; E97-R108 IonicContact OE2-NH2 3.59Å; E97-R108 PolarHBondContact OE2-NH2 2.84Å; E97-L113 HydrophobicContact CB-CD2 3.72Å; E97-L113 HydrophobicContact CG-CD2 4.31Å; E97-L113 WeakPolarHBondContact OE2-CD1 3.43Å; E97-V155 PolarHBondContact N-O 2.73Å; E97-V155 PolarHBondContact O-N 3.22Å
98P87.8Confident85Confident1 Ų144.6 Ų44.61%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-69.6125.5167.429.8-35.9000111.1M107 L141P98-M107 HydrophobicContact CB-CE 4.36Å; P98-M107 HydrophobicContact CB-SD 4.34Å; P98-M107 HydrophobicContact CG-CE 4.02Å; P98-M107 HydrophobicContact CG-SD 4.44Å; P98-L141 HydrophobicContact CB-CD1 3.98Å; P98-L141 HydrophobicContact CB-CD2 3.55Å; P98-L141 HydrophobicContact CB-CG 4.38Å; P98-L141 HydrophobicContact CG-CD1 4.11Å; P98-L141 HydrophobicContact CG-CD2 3.84Å; P98-L141 HydrophobicContact CG-CG 4.44Å
99V87.8Confident84.8Confident2 Ų240.2 Ų40.21%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-123.9154.7176.6-60.10000111.1E97 R108 A110 L113 T153 V155E97-V99 PolarHBondContact O-N 2.87Å; V99-R108 WeakPolarHBondContact CA-O 3.3Å; V99-R108 WeakPolarHBondContact CB-O 3.37Å; V99-A110 HydrophobicContact CG2-CB 4.31Å; V99-L113 HydrophobicContact CG1-CD2 3.92Å; V99-T153 WeakPolarHBondContact CG2-O 3.38Å; V99-T153 PolarHBondContact N-O 2.91Å; V99-T153 PolarHBondContact O-N 3.35Å; V99-V155 HydrophobicContact CG2-CB 4.03Å; V99-V155 HydrophobicContact CG2-CG2 3.37Å
100T85.4Confident84.6Confident4 Ų438.7 Ų38.73%0.02522%0.223CC..EExtended strand (participates in β ladder)trans-103.7151.9176.555.10000111.6T102 M107 R108 T109 Y147 T151 L152T100-T102 VanDerWaalsContact C-N 3.31Å; T100-T102 WeakPolarHBondContact CB-O 3.49Å; T100-T102 PolarHBondContact OG1-O 3.05Å; T100-M107 HydrophobicContact CG2-CB 3.56Å; T100-M107 HydrophobicContact CG2-CG 4.16Å; T100-M107 HydrophobicContact CG2-SD 4.32Å; T100-R108 PolarHBondContact N-O 2.7Å; T100-R108 VanDerWaalsContact N-O 3.13Å; T100-T109 WeakPolarHBondContact O-CA 3.47Å; T100-Y147 HydrophobicContact CG2-CD1 4.2Å; T100-Y147 HydrophobicContact CG2-CD2 4.34Å; T100-Y147 HydrophobicContact CG2-CE1 3.62Å; T100-Y147 HydrophobicContact CG2-CE2 3.84Å; T100-Y147 HydrophobicContact CG2-CG 4.5Å; T100-T151 WeakPolarHBondContact CA-O 3.28Å; T100-L152 HydrophobicContact CG2-CD2 3.47Å; T100-L152 VanDerWaalsContact CG2-CD2 3.47Å; T100-L152 HydrophobicContact CG2-CG 4.41Å
101G76.4Confident84.6Confident61 Ų6143.2 Ų43.263%0.62924%0.236SC*.SBendtrans-73.3-23.2173.700000113.9T151G101-T151 PolarHBondContact N-O 3.01Å
102T76.2Confident84.5Confident89 Ų8947.3 Ų47.355%0.54625%0.254SS..SBendtrans-123.2145.7177.449.50000109.6T100 A104T100-T102 VanDerWaalsContact C-N 3.31Å; T100-T102 WeakPolarHBondContact CB-O 3.49Å; T100-T102 PolarHBondContact OG1-O 3.05Å; T102-A104 PolarHBondContact O-N 3.28Å
103E70.2Confident84.4Confident134 Ų13442.6 Ų42.663%0.62623%0.233SC*.  trans-59.1127.5176.3-63.9-167.6174.100110.8T109 K112E103-T109 HydrophobicContact CG-CG2 3.91Å; E103-K112 WeakPolarHBondContact OE1-CE 3.43Å; E103-K112 IonicContact OE1-NZ 2.75Å; E103-K112 PolarHBondContact OE1-NZ 2.89Å; E103-K112 IonicContact OE2-NZ 2.63Å; E103-K112 PolarHBondContact OE2-NZ 3.49Å
104A68.3Low84.2Confident30 Ų3044.9 Ų44.925%0.24824%0.244CC..  trans-124.9159.6175.100000109.5T102 T106 M107 Y147T102-A104 PolarHBondContact O-N 3.28Å; A104-T106 PolarHBondContact O-N 3.08Å; A104-M107 HydrophobicContact CB-CB 4.37Å; A104-M107 PolarHBondContact N-O 3.17Å; A104-Y147 HydrophobicContact CB-CD2 3.74Å; A104-Y147 HydrophobicContact CB-CE2 3.43Å; A104-Y147 VanDerWaalsContact CB-CE2 3.43Å
105Q68.6Low84.2Confident205 Ų20547.3 Ų47.396%0.95826%0.262SS*.SBendtrans-67.8-24.1-176.1-161.2162.21.300113.1
106T71.8Confident84.2Confident70 Ų7048.5 Ų48.543%0.42927%0.271SS..SBendtrans-111.8-14.6-177.659.60000114.2I74 A104 A145I74-T106 WeakPolarHBondContact CD1-O 3.13Å; A104-T106 PolarHBondContact O-N 3.08Å; T106-A145 WeakPolarHBondContact CB-O 3.13Å; T106-A145 PolarHBondContact OG1-O 3.12Å; T106-A145 VanDerWaalsContact OG1-O 3.13Å
107M78Confident84.3Confident6 Ų648.1 Ų48.13%0.0327%0.27CS..  trans-130.9142.6-174.8-75.6-110.8158.900110.7I74 P98 T100 A104 L141 A145 Y147 L152I74-M107 HydrophobicContact CD1-CE 3.95Å; I74-M107 HydrophobicContact CD1-CG 4.43Å; I74-M107 HydrophobicContact CG1-CE 4.29Å; P98-M107 HydrophobicContact CB-CE 4.36Å; P98-M107 HydrophobicContact CB-SD 4.34Å; P98-M107 HydrophobicContact CG-CE 4.02Å; P98-M107 HydrophobicContact CG-SD 4.44Å; T100-M107 HydrophobicContact CG2-CB 3.56Å; T100-M107 HydrophobicContact CG2-CG 4.16Å; T100-M107 HydrophobicContact CG2-SD 4.32Å; A104-M107 HydrophobicContact CB-CB 4.37Å; A104-M107 PolarHBondContact N-O 3.17Å; M107-L141 HydrophobicContact CE-CD2 3.4Å; M107-L141 HydrophobicContact SD-CD2 4.24Å; M107-A145 HydrophobicContact CE-CB 3.26Å; M107-Y147 HydrophobicContact CG-CG 4.31Å; M107-L152 HydrophobicContact SD-CD2 3.63Å
108R86.1Confident84.4Confident40 Ų4054.3 Ų54.315%0.15130%0.296CS..  trans-101.9157.5-179.660.5-174.7154.8-166-6.2112.1H75 E97 V99 T100 K112 L113H75-R108 VanDerWaalsContact O-CZ 3.27Å; H75-R108 PolarHBondContact O-NH1 3.33Å; H75-R108 PolarHBondContact O-NH2 3.42Å; E97-R108 IonicContact OE1-CZ 3.84Å; E97-R108 IonicContact OE1-NE 2.86Å; E97-R108 PolarHBondContact OE1-NE 3.15Å; E97-R108 IonicContact OE1-NH2 3.16Å; E97-R108 PolarHBondContact OE1-NH2 3.48Å; E97-R108 IonicContact OE2-CZ 2.73Å; E97-R108 IonicContact OE2-NE 2.69Å; E97-R108 IonicContact OE2-NH2 3.59Å; E97-R108 PolarHBondContact OE2-NH2 2.84Å; V99-R108 WeakPolarHBondContact CA-O 3.3Å; V99-R108 WeakPolarHBondContact CB-O 3.37Å; T100-R108 PolarHBondContact N-O 2.7Å; T100-R108 VanDerWaalsContact N-O 3.13Å; R108-K112 HydrophobicContact CB-CB 3.91Å; R108-K112 HydrophobicContact CB-CD 4.31Å; R108-L113 HydrophobicContact CG-CB 4.44Å
109T89.9Confident84.7Confident9 Ų961.6 Ų61.66%0.05534%0.335CS..  trans-78.8166.3172.571.40000110.7T100 E103 E111 K112 L113T100-T109 WeakPolarHBondContact O-CA 3.47Å; E103-T109 HydrophobicContact CG-CG2 3.91Å; T109-E111 VanDerWaalsContact C-N 3.27Å; T109-E111 WeakPolarHBondContact CB-OE2 3.34Å; T109-E111 PolarHBondContact O-N 2.83Å; T109-E111 PolarHBondContact OG1-OE2 2.75Å; T109-K112 PolarHBondContact O-N 2.74Å; T109-K112 PolarHBondContact OG1-N 3.27Å; T109-L113 PolarHBondContact O-N 3.31Å
110A89.7Confident84.8Confident16 Ų1662.8 Ų62.813%0.13234%0.343CS..Hα-helixtrans-57.4-41.317500000111.7V99 K112 L113 M114V99-A110 HydrophobicContact CG2-CB 4.31Å; A110-K112 PolarHBondContact O-N 3.41Å; A110-L113 PolarHBondContact O-N 3.33Å; A110-M114 WeakPolarHBondContact O-CG 3.45Å; A110-M114 PolarHBondContact O-N 3.5Å
111E90.5Very high85.1Confident127 Ų12764.1 Ų64.159%0.59336%0.357SS*.Hα-helixtrans-66.7-37.9-179.6-51.482.9-172.100112.1T109 M114 S115T109-E111 VanDerWaalsContact C-N 3.27Å; T109-E111 WeakPolarHBondContact CB-OE2 3.34Å; T109-E111 PolarHBondContact O-N 2.83Å; T109-E111 PolarHBondContact OG1-OE2 2.75Å; E111-M114 PolarHBondContact O-N 3.45Å; E111-S115 WeakPolarHBondContact O-CB 3.38Å; E111-S115 PolarHBondContact O-N 3.37Å; E111-S115 PolarHBondContact O-OG 3.31Å
112K90.8Very high85.9Confident87 Ų8761.5 Ų61.538%0.37833%0.329SS..Hα-helixtrans-66.1-39.8174.8-78-169.3-178.9-179.20112E103 R108 T109 A110 S115 A116E103-K112 WeakPolarHBondContact OE1-CE 3.43Å; E103-K112 IonicContact OE1-NZ 2.75Å; E103-K112 PolarHBondContact OE1-NZ 2.89Å; E103-K112 IonicContact OE2-NZ 2.63Å; E103-K112 PolarHBondContact OE2-NZ 3.49Å; R108-K112 HydrophobicContact CB-CB 3.91Å; R108-K112 HydrophobicContact CB-CD 4.31Å; T109-K112 PolarHBondContact O-N 2.74Å; T109-K112 PolarHBondContact OG1-N 3.27Å; A110-K112 PolarHBondContact O-N 3.41Å; K112-S115 PolarHBondContact O-N 3.11Å; K112-A116 WeakPolarHBondContact O-CB 3.37Å; K112-A116 PolarHBondContact O-N 3.13Å
113L91.1Very high86.6Confident0 Ų061.1 Ų61.10%032%0.322CS..Hα-helixtrans-63.4-45.5175177.559.4000111.2L95 E97 V99 R108 T109 A110 S115 A116 L117 I157L95-L113 HydrophobicContact CD1-CD1 4.41Å; L95-L113 HydrophobicContact CD1-CD2 4.22Å; E97-L113 HydrophobicContact CB-CD2 3.72Å; E97-L113 HydrophobicContact CG-CD2 4.31Å; E97-L113 WeakPolarHBondContact OE2-CD1 3.43Å; V99-L113 HydrophobicContact CG1-CD2 3.92Å; R108-L113 HydrophobicContact CG-CB 4.44Å; T109-L113 PolarHBondContact O-N 3.31Å; A110-L113 PolarHBondContact O-N 3.33Å; L113-S115 VanDerWaalsContact C-N 3.28Å; L113-S115 PolarHBondContact O-N 3.43Å; L113-A116 PolarHBondContact O-N 3.05Å; L113-L117 HydrophobicContact CG-CD1 4.42Å; L113-L117 WeakPolarHBondContact O-CG 3.39Å; L113-L117 PolarHBondContact O-N 3.29Å; L113-I157 HydrophobicContact CB-CD1 4.32Å; L113-I157 HydrophobicContact CD2-CD1 3.44Å; L113-I157 VanDerWaalsContact CD2-CD1 3.44Å; L113-I157 HydrophobicContact CD2-CG1 4.37Å; L113-I157 HydrophobicContact CG-CD1 3.62Å
114M92.3Very high87.6Confident47 Ų4758.9 Ų58.923%0.23232%0.321CS..Hα-helixtrans-59.7-39.7174-67.4-179.386.900112.2A110 E111 L117 K118 V125 I157A110-M114 WeakPolarHBondContact O-CG 3.45Å; A110-M114 PolarHBondContact O-N 3.5Å; E111-M114 PolarHBondContact O-N 3.45Å; M114-L117 PolarHBondContact O-N 3.09Å; M114-K118 WeakPolarHBondContact O-CG 3.49Å; M114-K118 PolarHBondContact O-N 2.88Å; M114-K118 VanDerWaalsContact O-N 3.14Å; M114-V125 HydrophobicContact CB-CG1 4.14Å; M114-V125 HydrophobicContact CE-CG1 4.14Å; M114-V125 WeakPolarHBondContact CE-O 3.48Å; M114-V125 HydrophobicContact CG-CG1 4.07Å; M114-I157 HydrophobicContact CG-CD1 4.03Å
115S93.1Very high88.7Confident59 Ų5958.2 Ų58.241%0.41331%0.313SS..Hα-helixtrans-66.2-42.8176.7-58.60000111.5E111 K112 L113 L117 K118 L119E111-S115 WeakPolarHBondContact O-CB 3.38Å; E111-S115 PolarHBondContact O-N 3.37Å; E111-S115 PolarHBondContact O-OG 3.31Å; K112-S115 PolarHBondContact O-N 3.11Å; L113-S115 VanDerWaalsContact C-N 3.28Å; L113-S115 PolarHBondContact O-N 3.43Å; S115-L117 VanDerWaalsContact C-N 3.32Å; S115-L117 PolarHBondContact O-N 3.09Å; S115-K118 PolarHBondContact O-N 3.15Å; S115-L119 VanDerWaalsContact O-CG 3.3Å; S115-L119 WeakPolarHBondContact O-CG 3.47Å; S115-L119 PolarHBondContact O-N 3.28Å
116A93Very high89.7Confident24 Ų2452 Ų5220%0.19829%0.29CS..Hα-helixtrans-61.1-38.8176.200000112.3L80 K112 L113 L119 S120L80-A116 HydrophobicContact CD1-CB 4.49Å; K112-A116 WeakPolarHBondContact O-CB 3.37Å; K112-A116 PolarHBondContact O-N 3.13Å; L113-A116 PolarHBondContact O-N 3.05Å; A116-L119 PolarHBondContact O-N 3.38Å; A116-S120 PolarHBondContact O-N 3.46Å; A116-S120 PolarHBondContact O-OG 3.23Å
117L93.5Very high90.6Very high0 Ų053 Ų530%029%0.289CS..Hα-helixtrans-65.1-40.2174.9-70.9163.3000112.5L80 L93 L95 L113 M114 S115 S120 G121 F122 V125 I157L80-L117 HydrophobicContact CD1-CD2 4.22Å; L80-L117 HydrophobicContact CD2-CD2 3.78Å; L93-L117 HydrophobicContact CD2-CD2 4.08Å; L95-L117 HydrophobicContact CD2-CD1 3.91Å; L95-L117 HydrophobicContact CD2-CD2 3.45Å; L95-L117 VanDerWaalsContact CD2-CD2 3.45Å; L95-L117 HydrophobicContact CD2-CG 4.25Å; L113-L117 HydrophobicContact CG-CD1 4.42Å; L113-L117 WeakPolarHBondContact O-CG 3.39Å; L113-L117 PolarHBondContact O-N 3.29Å; M114-L117 PolarHBondContact O-N 3.09Å; S115-L117 VanDerWaalsContact C-N 3.32Å; S115-L117 PolarHBondContact O-N 3.09Å; L117-S120 WeakPolarHBondContact CA-OG 3.4Å; L117-S120 PolarHBondContact O-N 2.96Å; L117-S120 PolarHBondContact O-OG 3.28Å; L117-G121 PolarHBondContact O-N 2.98Å; L117-F122 HydrophobicContact CB-CD2 4.38Å; L117-F122 HydrophobicContact CD2-CD2 3.83Å; L117-F122 HydrophobicContact CD2-CE2 4.11Å; L117-F122 WeakPolarHBondContact O-CB 3.45Å; L117-F122 WeakPolarHBondContact O-CD2 3.44Å; L117-F122 PolarHBondContact O-N 3.28Å; L117-V125 HydrophobicContact CB-CG1 4.24Å; L117-V125 HydrophobicContact CB-CG2 3.99Å; L117-V125 HydrophobicContact CD1-CG1 3.82Å; L117-I157 HydrophobicContact CD1-CB 4.2Å; L117-I157 HydrophobicContact CD1-CD1 4.08Å; L117-I157 HydrophobicContact CD1-CG2 3.58Å
118K92.9Very high91Very high129 Ų12956.7 Ų56.756%0.56131%0.312SS*.Hα-helixtrans-65.4-41.9175-69172.8-176.41790111.3M114 S115 S120 G121 V125M114-K118 WeakPolarHBondContact O-CG 3.49Å; M114-K118 PolarHBondContact O-N 2.88Å; M114-K118 VanDerWaalsContact O-N 3.14Å; S115-K118 PolarHBondContact O-N 3.15Å; K118-S120 VanDerWaalsContact C-N 3.32Å; K118-S120 PolarHBondContact O-N 3.37Å; K118-G121 PolarHBondContact O-N 3.36Å; K118-G121 VanDerWaalsContact O-N 3.17Å; K118-V125 HydrophobicContact CG-CG2 3.96Å
119L92.8Very high90.9Very high155 Ų15556.9 Ų56.981%0.81232%0.32SS*.Hα-helixtrans-67.6-30.3179.3-70.2171.7000113S115 A116 G121S115-L119 VanDerWaalsContact O-CG 3.3Å; S115-L119 WeakPolarHBondContact O-CG 3.47Å; S115-L119 PolarHBondContact O-N 3.28Å; A116-L119 PolarHBondContact O-N 3.38Å; L119-G121 PolarHBondContact O-N 3.04Å
120S91Very high90.7Very high26 Ų2662.5 Ų62.518%0.18234%0.343CS..THydrogen-bonded Turntrans-78.2-5.7174.458.40000114A116 L117 K118 F122A116-S120 PolarHBondContact O-N 3.46Å; A116-S120 PolarHBondContact O-OG 3.23Å; L117-S120 WeakPolarHBondContact CA-OG 3.4Å; L117-S120 PolarHBondContact O-N 2.96Å; L117-S120 PolarHBondContact O-OG 3.28Å; K118-S120 VanDerWaalsContact C-N 3.32Å; K118-S120 PolarHBondContact O-N 3.37Å; S120-F122 WeakPolarHBondContact OG-CD2 3.44Å
121G90.1Very high90.4Very high32 Ų3265.7 Ų65.733%0.3336%0.361SS..THydrogen-bonded Turntrans106.19.6172.900000114.9L117 K118 L119 P162L117-G121 PolarHBondContact O-N 2.98Å; K118-G121 PolarHBondContact O-N 3.36Å; K118-G121 VanDerWaalsContact O-N 3.17Å; L119-G121 PolarHBondContact O-N 3.04Å; G121-P162 WeakPolarHBondContact O-CD 3.49Å; G121-P162 WeakPolarHBondContact O-CG 3.16Å
122F93.3Very high89.9Confident7 Ų767.7 Ų67.73%0.03137%0.371CS..  trans-79148.7171.6-65.4-80000112.4L80 M83 V84 L87 L93 L117 S120 V125 A159L80-F122 HydrophobicContact CB-CE2 4.48Å; M83-F122 HydrophobicContact CB-CZ 4.27Å; V84-F122 HydrophobicContact CB-CZ 4.3Å; V84-F122 HydrophobicContact CG2-CD1 4.15Å; V84-F122 HydrophobicContact CG2-CD2 3.79Å; V84-F122 HydrophobicContact CG2-CE1 3.67Å; V84-F122 HydrophobicContact CG2-CE2 3.25Å; V84-F122 HydrophobicContact CG2-CG 4.2Å; V84-F122 HydrophobicContact CG2-CZ 3.17Å; L87-F122 HydrophobicContact CD1-CE1 3.72Å; L87-F122 HydrophobicContact CD1-CZ 4.33Å; L93-F122 HydrophobicContact CB-CD1 4.32Å; L93-F122 HydrophobicContact CB-CE1 3.73Å; L93-F122 HydrophobicContact CB-CZ 4.2Å; L93-F122 HydrophobicContact CD2-CD1 4.29Å; L93-F122 HydrophobicContact CD2-CD2 4.28Å; L93-F122 HydrophobicContact CD2-CE1 3.62Å; L93-F122 HydrophobicContact CD2-CE2 3.6Å; L93-F122 HydrophobicContact CD2-CZ 3.24Å; L93-F122 HydrophobicContact CG-CE1 4.31Å; L93-F122 HydrophobicContact CG-CZ 4.3Å; L117-F122 HydrophobicContact CB-CD2 4.38Å; L117-F122 HydrophobicContact CD2-CD2 3.83Å; L117-F122 HydrophobicContact CD2-CE2 4.11Å; L117-F122 WeakPolarHBondContact O-CB 3.45Å; L117-F122 WeakPolarHBondContact O-CD2 3.44Å; L117-F122 PolarHBondContact O-N 3.28Å; S120-F122 WeakPolarHBondContact OG-CD2 3.44Å; F122-V125 HydrophobicContact CB-CG2 4.3Å; F122-A159 HydrophobicContact CB-CB 3.87Å; F122-A159 HydrophobicContact CD1-CB 4.04Å; F122-A159 HydrophobicContact CG-CB 4.04Å
123M92.3Very high89.1Confident81 Ų8164.4 Ų64.440%0.39936%0.357SS..EExtended strand (participates in β ladder)trans-121.3165.717249.7169.952.100111.3V125 S160 P162M123-V125 VanDerWaalsContact C-N 3.33Å; M123-V125 PolarHBondContact O-N 3.03Å; M123-S160 WeakPolarHBondContact CG-O 3.3Å; M123-S160 PolarHBondContact N-O 2.69Å; M123-S160 PolarHBondContact O-N 2.85Å; M123-S160 PolarHBondContact O-OG 3.26Å; M123-P162 HydrophobicContact CE-CB 3.51Å; M123-P162 HydrophobicContact CE-CG 3.66Å; M123-P162 HydrophobicContact CG-CB 4.27Å; M123-P162 HydrophobicContact CG-CG 3.89Å; M123-P162 WeakPolarHBondContact SD-CA 3.37Å; M123-P162 HydrophobicContact SD-CB 3.74Å; M123-P162 HydrophobicContact SD-CG 4Å
124S89.9Confident88.2Confident86 Ų8667 Ų6760%0.60138%0.375SS*.EExtended strand (participates in β ladder)trans56.144-177.3-45.60000113.3T126 S160S124-T126 PolarHBondContact O-N 3.29Å; S124-S160 WeakPolarHBondContact CB-OG 3.15Å; S124-S160 PolarHBondContact OG-OG 3.22Å
125V92.2Very high87.3Confident16 Ų1669.1 Ų69.110%0.09739%0.392CS..EExtended strand (participates in β ladder)trans-73114.6179.5-1750000109.8M114 L117 K118 F122 M123 I157 S158 A159M114-V125 HydrophobicContact CB-CG1 4.14Å; M114-V125 HydrophobicContact CE-CG1 4.14Å; M114-V125 WeakPolarHBondContact CE-O 3.48Å; M114-V125 HydrophobicContact CG-CG1 4.07Å; L117-V125 HydrophobicContact CB-CG1 4.24Å; L117-V125 HydrophobicContact CB-CG2 3.99Å; L117-V125 HydrophobicContact CD1-CG1 3.82Å; K118-V125 HydrophobicContact CG-CG2 3.96Å; F122-V125 HydrophobicContact CB-CG2 4.3Å; M123-V125 VanDerWaalsContact C-N 3.33Å; M123-V125 PolarHBondContact O-N 3.03Å; V125-I157 HydrophobicContact CG1-CG2 3.54Å; V125-S158 WeakPolarHBondContact CA-O 3.42Å; V125-A159 HydrophobicContact CG2-CB 4.09Å
126T90.4Very high86.3Confident76 Ų7672.1 Ų72.147%0.46640%0.4SS..EExtended strand (participates in β ladder)trans-132135.1-178.456.20000111.5S124 V128 S158S124-T126 PolarHBondContact O-N 3.29Å; T126-V128 PolarHBondContact O-N 2.97Å; T126-S158 PolarHBondContact N-O 3.16Å; T126-S158 PolarHBondContact O-N 2.72Å
127E90Very high85.3Confident89 Ų8972 Ų7242%0.41640%0.4SS..EExtended strand (participates in β ladder)trans-72.8121.5169.1-179.6170.2160.200109.8V155E127-V155 HydrophobicContact CG-CG1 3.71Å
128V85.9Confident84.3Confident85 Ų8574.1 Ų74.152%0.51541%0.41SS..EExtended strand (participates in β ladder)trans-92.7-42.9-177.8-179.90000110.8L94 T126 R156 S158L94-V128 HydrophobicContact CD1-CG2 4.26Å; T126-V128 PolarHBondContact O-N 2.97Å; V128-R156 HydrophobicContact CB-CB 4.42Å; V128-R156 HydrophobicContact CB-CG 4.07Å; V128-R156 PolarHBondContact N-O 3.04Å; V128-S158 VanDerWaalsContact CG2-CB 3.48Å
129S84.9Confident83.5Confident43 Ų4371.1 Ų71.130%0.30141%0.406SS..EExtended strand (participates in β ladder)trans-158.6150.2-17961.50000111.5R156S129-R156 PolarHBondContact O-N 3.44Å; S129-R156 VanDerWaalsContact OG-CB 3.3Å; S129-R156 WeakPolarHBondContact OG-CB 3.41Å
130K85.8Confident82.6Confident127 Ų12767.1 Ų67.155%0.55239%0.391SS*.EExtended strand (participates in β ladder)trans-122121.4172.3-175.6170.8-177.1175.40108.9T153 R154 V155K130-T153 WeakPolarHBondContact CE-OG1 3.48Å; K130-R154 WeakPolarHBondContact CA-O 3.34Å; K130-V155 HydrophobicContact CB-CG2 4.36Å; K130-V155 HydrophobicContact CD-CG2 4.28Å; K130-V155 HydrophobicContact CG-CG2 3.96Å
131T83.3Confident81.7Confident83 Ų8366.1 Ų66.151%0.50938%0.383SS..EExtended strand (participates in β ladder)trans-120.3128.9-176.5-51.80000109.4R154T131-R154 PolarHBondContact N-O 3.3Å; T131-R154 PolarHBondContact O-N 3.37Å
132E79Confident81.1Confident169 Ų16969 Ų6979%0.7938%0.384SS*.EExtended strand (participates in β ladder)trans-69.9135.1171.6-62.3-173.8169.500109.6T153E132-T153 HydrophobicContact CG-CG2 4.48Å
133L74.4Confident80.2Confident18 Ų1872.9 Ų72.99%0.09442%0.417CS..PPolyproline II helixtrans-78.5144.5-177.9-73.9153.9000110A137 L138 L141 L152 R154L133-A137 HydrophobicContact CB-CB 4.5Å; L133-A137 HydrophobicContact CD2-CB 4.23Å; L133-L138 HydrophobicContact CB-CD2 3.63Å; L133-L138 HydrophobicContact CB-CG 3.75Å; L133-L138 HydrophobicContact CD1-CD2 3.9Å; L133-L138 HydrophobicContact CG-CD2 4.42Å; L133-L141 HydrophobicContact CD1-CD1 4.37Å; L133-L152 HydrophobicContact CD1-CB 3.98Å; L133-R154 HydrophobicContact CD2-CB 4.16Å; L133-R154 HydrophobicContact CG-CB 4.27Å
134S73Confident79.1Confident55 Ų5572.4 Ų72.439%0.38543%0.427SS..PPolyproline II helixtrans-62.5151.7172.795.40000110.4E136 A137 L138S134-E136 WeakPolarHBondContact CB-OE2 3.24Å; S134-E136 PolarHBondContact O-N 3.44Å; S134-E136 PolarHBondContact OG-OE2 2.66Å; S134-A137 WeakPolarHBondContact O-CB 3.39Å; S134-A137 PolarHBondContact O-N 2.97Å; S134-A137 VanDerWaalsContact O-N 3.07Å; S134-A137 PolarHBondContact OG-N 3.47Å; S134-L138 WeakPolarHBondContact O-CG 3.48Å; S134-L138 PolarHBondContact O-N 3.42Å
135P71.9Confident78.1Confident91 Ų9169.2 Ų69.259%0.59141%0.406SS*.Hα-helixtrans-59.1-31.8-179.219.4-28.4000113.4S139P135-S139 PolarHBondContact O-N 3.12Å; P135-S139 VanDerWaalsContact O-N 3.08Å
136E73.6Confident77.1Confident122 Ų12271 Ų7157%0.5743%0.427SS*.Hα-helixtrans-68.4-44.7174.4-53.973.5-156.900111.2S134 L138 S139 S140S134-E136 WeakPolarHBondContact CB-OE2 3.24Å; S134-E136 PolarHBondContact O-N 3.44Å; S134-E136 PolarHBondContact OG-OE2 2.66Å; E136-L138 VanDerWaalsContact C-N 3.35Å; E136-S139 PolarHBondContact O-N 3.45Å; E136-S139 PolarHBondContact O-OG 3.17Å; E136-S140 PolarHBondContact O-N 3.46Å; E136-S140 VanDerWaalsContact O-N 3.1Å; E136-S140 PolarHBondContact O-OG 3.28Å
137A70.4Confident76.2Confident23 Ų2368.3 Ų68.319%0.1941%0.409CS..Hα-helixtrans-63.5-42.1176.200000111L133 S134 S139 S140 L141L133-A137 HydrophobicContact CB-CB 4.5Å; L133-A137 HydrophobicContact CD2-CB 4.23Å; S134-A137 WeakPolarHBondContact O-CB 3.39Å; S134-A137 PolarHBondContact O-N 2.97Å; S134-A137 VanDerWaalsContact O-N 3.07Å; S134-A137 PolarHBondContact OG-N 3.47Å; A137-S139 VanDerWaalsContact C-N 3.35Å; A137-S139 PolarHBondContact O-N 3.38Å; A137-S140 PolarHBondContact O-N 2.87Å; A137-L141 VanDerWaalsContact O-CB 3.3Å; A137-L141 WeakPolarHBondContact O-CB 3.45Å; A137-L141 PolarHBondContact O-N 2.94Å
138L73.9Confident75.1Confident43 Ų4372.4 Ų72.423%0.22543%0.428CS..Hα-helixtrans-58.5-44.2175.4-73175.7000112.5L133 S134 E136 L141 R142 L152L133-L138 HydrophobicContact CB-CD2 3.63Å; L133-L138 HydrophobicContact CB-CG 3.75Å; L133-L138 HydrophobicContact CD1-CD2 3.9Å; L133-L138 HydrophobicContact CG-CD2 4.42Å; S134-L138 WeakPolarHBondContact O-CG 3.48Å; S134-L138 PolarHBondContact O-N 3.42Å; E136-L138 VanDerWaalsContact C-N 3.35Å; L138-L141 PolarHBondContact O-N 2.93Å; L138-R142 WeakPolarHBondContact O-CB 3.41Å; L138-R142 PolarHBondContact O-N 3.21Å; L138-L152 HydrophobicContact CD2-CB 3.45Å; L138-L152 VanDerWaalsContact CD2-CB 3.45Å; L138-L152 HydrophobicContact CD2-CD1 3.87Å; L138-L152 HydrophobicContact CD2-CG 4.28Å
139S75.6Confident74.3Confident66 Ų6669.4 Ų69.446%0.46241%0.414SS..Hα-helixtrans-63.8-42.417873.30000112.2P135 E136 A137 R142 A143P135-S139 PolarHBondContact O-N 3.12Å; P135-S139 VanDerWaalsContact O-N 3.08Å; E136-S139 PolarHBondContact O-N 3.45Å; E136-S139 PolarHBondContact O-OG 3.17Å; A137-S139 VanDerWaalsContact C-N 3.35Å; A137-S139 PolarHBondContact O-N 3.38Å; S139-R142 PolarHBondContact O-N 3.41Å; S139-A143 PolarHBondContact O-N 2.97Å; S139-A143 VanDerWaalsContact O-N 3.1Å
140S73.7Confident73.4Confident72 Ų7273.9 Ų73.950%0.50344%0.435SS..Hα-helixtrans-65.2-41.7176.4-53.20000111.6E136 A137 A143 A144E136-S140 PolarHBondContact O-N 3.46Å; E136-S140 VanDerWaalsContact O-N 3.1Å; E136-S140 PolarHBondContact O-OG 3.28Å; A137-S140 PolarHBondContact O-N 2.87Å; S140-A143 PolarHBondContact O-N 2.84Å; S140-A144 WeakPolarHBondContact O-CB 3.49Å; S140-A144 PolarHBondContact O-N 3.18Å
141L72.8Confident72.8Confident4 Ų471.6 Ų71.62%0.02143%0.431CS..Hα-helixtrans-67.1-38.8179.2-140.1122.6000111.8S72 P98 M107 L133 A137 L138 A144 A145 L152S72-L141 VanDerWaalsContact CB-CD1 3.43Å; P98-L141 HydrophobicContact CB-CD1 3.98Å; P98-L141 HydrophobicContact CB-CD2 3.55Å; P98-L141 HydrophobicContact CB-CG 4.38Å; P98-L141 HydrophobicContact CG-CD1 4.11Å; P98-L141 HydrophobicContact CG-CD2 3.84Å; P98-L141 HydrophobicContact CG-CG 4.44Å; M107-L141 HydrophobicContact CE-CD2 3.4Å; M107-L141 HydrophobicContact SD-CD2 4.24Å; L133-L141 HydrophobicContact CD1-CD1 4.37Å; A137-L141 VanDerWaalsContact O-CB 3.3Å; A137-L141 WeakPolarHBondContact O-CB 3.45Å; A137-L141 PolarHBondContact O-N 2.94Å; L138-L141 PolarHBondContact O-N 2.93Å; L141-A144 PolarHBondContact O-N 3.36Å; L141-A145 VanDerWaalsContact O-CB 3.24Å; L141-A145 WeakPolarHBondContact O-CB 3.41Å; L141-A145 PolarHBondContact O-N 3.14Å; L141-L152 HydrophobicContact CB-CD1 4.5Å; L141-L152 HydrophobicContact CD2-CD1 3.8Å; L141-L152 HydrophobicContact CD2-CD2 4.17Å
142R75.7Confident72.7Confident93 Ų9368.1 Ų68.135%0.35141%0.41SS..Hα-helixtrans-61.4-43.8172.8169.7173-56148.4-1.5111.8L138 S139 G146 Y147 G149 N150L138-R142 WeakPolarHBondContact O-CB 3.41Å; L138-R142 PolarHBondContact O-N 3.21Å; S139-R142 PolarHBondContact O-N 3.41Å; R142-G146 WeakPolarHBondContact O-CA 3.27Å; R142-G146 PolarHBondContact O-N 3.45Å; R142-Y147 WeakPolarHBondContact CG-O 3.35Å; R142-Y147 PolarHBondContact NE-O 2.71Å; R142-G149 PolarHBondContact NH2-O 3.49Å; R142-N150 PolarHBondContact NH2-OD1 3.17Å
143A75.2Confident73Confident88 Ų8861.2 Ų61.273%0.72738%0.379SS*.Hα-helixtrans-64.6-42.4176.900000111.7S139 S140S139-A143 PolarHBondContact O-N 2.97Å; S139-A143 VanDerWaalsContact O-N 3.1Å; S140-A143 PolarHBondContact O-N 2.84Å
144A69.9Low73.6Confident72 Ų7261.5 Ų61.560%0.59538%0.379SS*.Hα-helixtrans-74.9-41.3-178.200000113.7S140 L141S140-A144 WeakPolarHBondContact O-CB 3.49Å; S140-A144 PolarHBondContact O-N 3.18Å; L141-A144 PolarHBondContact O-N 3.36Å
145A69.2Low74.5Confident19 Ų1958.9 Ų58.916%0.15736%0.36CS..Hα-helixtrans-98.4-2.3-174.300000114.3T106 M107 L141 Y147T106-A145 WeakPolarHBondContact CB-O 3.13Å; T106-A145 PolarHBondContact OG1-O 3.12Å; T106-A145 VanDerWaalsContact OG1-O 3.13Å; M107-A145 HydrophobicContact CE-CB 3.26Å; L141-A145 VanDerWaalsContact O-CB 3.24Å; L141-A145 WeakPolarHBondContact O-CB 3.41Å; L141-A145 PolarHBondContact O-N 3.14Å; A145-Y147 PolarHBondContact O-N 3Å; A145-Y147 VanDerWaalsContact O-N 3.13Å
146G69.4Low75.4Confident54 Ų5457.4 Ų57.456%0.55734%0.343SS*.  trans63.315.6-177.900000114.7R142R142-G146 WeakPolarHBondContact O-CA 3.27Å; R142-G146 PolarHBondContact O-N 3.45Å
147Y72.3Confident76.3Confident18 Ų1851.7 Ų51.77%0.07132%0.316CS..  trans-87.3120-173.7178.6-108.4000112.6T100 A104 M107 R142 A145 G149 L152T100-Y147 HydrophobicContact CG2-CD1 4.2Å; T100-Y147 HydrophobicContact CG2-CD2 4.34Å; T100-Y147 HydrophobicContact CG2-CE1 3.62Å; T100-Y147 HydrophobicContact CG2-CE2 3.84Å; T100-Y147 HydrophobicContact CG2-CG 4.5Å; A104-Y147 HydrophobicContact CB-CD2 3.74Å; A104-Y147 HydrophobicContact CB-CE2 3.43Å; A104-Y147 VanDerWaalsContact CB-CE2 3.43Å; M107-Y147 HydrophobicContact CG-CG 4.31Å; R142-Y147 WeakPolarHBondContact CG-O 3.35Å; R142-Y147 PolarHBondContact NE-O 2.71Å; A145-Y147 PolarHBondContact O-N 3Å; A145-Y147 VanDerWaalsContact O-N 3.13Å; Y147-G149 VanDerWaalsContact CE1-C 3.46Å; Y147-G149 WeakPolarHBondContact CE1-O 3.33Å; Y147-G149 VanDerWaalsContact CZ-CA 3.42Å; Y147-L152 HydrophobicContact CD1-CD1 3.8Å; Y147-L152 HydrophobicContact CD1-CD2 3.88Å; Y147-L152 HydrophobicContact CD1-CG 3.79Å; Y147-L152 HydrophobicContact CE1-CD1 4.25Å; Y147-L152 HydrophobicContact CE1-CD2 3.96Å; Y147-L152 HydrophobicContact CE1-CG 3.78Å
148Q67.4Low77.4Confident176 Ų17652 Ų5282%0.82232%0.317SS*.  trans-90.7-2.3-175.6-63.4-121.6-900114.9
149G67.8Low78.4Confident21 Ų2150 Ų5022%0.21631%0.307CS..  trans-79.9167.7-179.900000114R142 Y147R142-G149 PolarHBondContact NH2-O 3.49Å; Y147-G149 VanDerWaalsContact CE1-C 3.46Å; Y147-G149 WeakPolarHBondContact CE1-O 3.33Å; Y147-G149 VanDerWaalsContact CZ-CA 3.42Å
150N67.9Low79.3Confident138 Ų13847.9 Ų47.974%0.73829%0.292SS*.SBendtrans-103.3-4.6-178.4-102.532.5000114.3R142R142-N150 PolarHBondContact NH2-OD1 3.17Å
151T73.4Confident80.3Confident79 Ų7945 Ų4549%0.48527%0.27SS..  trans-106.269.4-172.447.20000111.2T100 G101T100-T151 WeakPolarHBondContact CA-O 3.28Å; G101-T151 PolarHBondContact N-O 3.01Å
152L79.6Confident81.2Confident10 Ų1045.2 Ų45.25%0.05227%0.272CS..EExtended strand (participates in β ladder)trans-109.3129.5175.2-75.7168.7000110.1T100 M107 L133 L138 L141 Y147T100-L152 HydrophobicContact CG2-CD2 3.47Å; T100-L152 VanDerWaalsContact CG2-CD2 3.47Å; T100-L152 HydrophobicContact CG2-CG 4.41Å; M107-L152 HydrophobicContact SD-CD2 3.63Å; L133-L152 HydrophobicContact CD1-CB 3.98Å; L138-L152 HydrophobicContact CD2-CB 3.45Å; L138-L152 VanDerWaalsContact CD2-CB 3.45Å; L138-L152 HydrophobicContact CD2-CD1 3.87Å; L138-L152 HydrophobicContact CD2-CG 4.28Å; L141-L152 HydrophobicContact CB-CD1 4.5Å; L141-L152 HydrophobicContact CD2-CD1 3.8Å; L141-L152 HydrophobicContact CD2-CD2 4.17Å; Y147-L152 HydrophobicContact CD1-CD1 3.8Å; Y147-L152 HydrophobicContact CD1-CD2 3.88Å; Y147-L152 HydrophobicContact CD1-CG 3.79Å; Y147-L152 HydrophobicContact CE1-CD1 4.25Å; Y147-L152 HydrophobicContact CE1-CD2 3.96Å; Y147-L152 HydrophobicContact CE1-CG 3.78Å
153T86.4Confident81.9Confident23 Ų2347.5 Ų47.514%0.14129%0.291CS..EExtended strand (participates in β ladder)trans-132.6141.1175.352.50000108.8V99 K130 E132V99-T153 WeakPolarHBondContact CG2-O 3.38Å; V99-T153 PolarHBondContact N-O 2.91Å; V99-T153 PolarHBondContact O-N 3.35Å; K130-T153 WeakPolarHBondContact CE-OG1 3.48Å; E132-T153 HydrophobicContact CG-CG2 4.48Å
154R87.2Confident82.3Confident24 Ų2449.8 Ų49.89%0.09128%0.282CS..EExtended strand (participates in β ladder)trans-84.4126171179.7172.8-80.9136.7-4.6108.7A69 C71 D96 K130 T131 L133A69-R154 VanDerWaalsContact C-NH1 3.29Å; A69-R154 VanDerWaalsContact CA-NH1 3.32Å; A69-R154 VanDerWaalsContact O-CZ 3.26Å; A69-R154 PolarHBondContact O-NH1 2.9Å; A69-R154 PolarHBondContact O-NH2 3.44Å; C71-R154 PolarHBondContact O-NH2 2.95Å; D96-R154 HydrophobicContact CB-CG 4.22Å; K130-R154 WeakPolarHBondContact CA-O 3.34Å; T131-R154 PolarHBondContact N-O 3.3Å; T131-R154 PolarHBondContact O-N 3.37Å; L133-R154 HydrophobicContact CD2-CB 4.16Å; L133-R154 HydrophobicContact CG-CB 4.27Å
155V90.8Very high82.8Confident0 Ų050.4 Ų50.40%027%0.273CS..EExtended strand (participates in β ladder)trans-111.4132.7175.5176.30000108.8E97 V99 E127 K130 I157E97-V155 PolarHBondContact N-O 2.73Å; E97-V155 PolarHBondContact O-N 3.22Å; V99-V155 HydrophobicContact CG2-CB 4.03Å; V99-V155 HydrophobicContact CG2-CG2 3.37Å; E127-V155 HydrophobicContact CG-CG1 3.71Å; K130-V155 HydrophobicContact CB-CG2 4.36Å; K130-V155 HydrophobicContact CD-CG2 4.28Å; K130-V155 HydrophobicContact CG-CG2 3.96Å; V155-I157 HydrophobicContact CG1-CD1 4.27Å; V155-I157 HydrophobicContact CG1-CG1 3.78Å
156R91.7Very high82.9Confident61 Ų6156.2 Ų56.223%0.2331%0.306CS..EExtended strand (participates in β ladder)trans-97.6122.1172.4-179.5165.3-72.9176.51.1109.1L94 L95 D96 V128 S129L94-R156 HydrophobicContact CD1-CG 3.6Å; L94-R156 HydrophobicContact CG-CG 4.17Å; L95-R156 WeakPolarHBondContact O-CA 3.34Å; D96-R156 WeakPolarHBondContact OD1-CA 3.44Å; D96-R156 WeakPolarHBondContact OD1-CB 3.42Å; D96-R156 WeakPolarHBondContact OD1-CG 3.39Å; D96-R156 IonicContact OD1-CZ 3.62Å; D96-R156 IonicContact OD1-NE 3.88Å; D96-R156 PolarHBondContact OD1-NE 2.94Å; D96-R156 IonicContact OD1-NH2 3.63Å; D96-R156 IonicContact OD2-CZ 3.5Å; D96-R156 IonicContact OD2-NE 2.75Å; D96-R156 PolarHBondContact OD2-NE 3.48Å; D96-R156 IonicContact OD2-NH2 3.41Å; D96-R156 PolarHBondContact OD2-NH2 2.71Å; V128-R156 HydrophobicContact CB-CB 4.42Å; V128-R156 HydrophobicContact CB-CG 4.07Å; V128-R156 PolarHBondContact N-O 3.04Å; S129-R156 PolarHBondContact O-N 3.44Å; S129-R156 VanDerWaalsContact OG-CB 3.3Å; S129-R156 WeakPolarHBondContact OG-CB 3.41Å
157I92.7Very high83.2Confident1 Ų157.5 Ų57.51%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-118.5131.1179.8-56.5-176.4000109.5L95 L113 M114 L117 V125 V155L95-I157 HydrophobicContact CG-CB 4.37Å; L95-I157 PolarHBondContact N-O 2.88Å; L95-I157 PolarHBondContact O-N 2.81Å; L113-I157 HydrophobicContact CB-CD1 4.32Å; L113-I157 HydrophobicContact CD2-CD1 3.44Å; L113-I157 VanDerWaalsContact CD2-CD1 3.44Å; L113-I157 HydrophobicContact CD2-CG1 4.37Å; L113-I157 HydrophobicContact CG-CD1 3.62Å; M114-I157 HydrophobicContact CG-CD1 4.03Å; L117-I157 HydrophobicContact CD1-CB 4.2Å; L117-I157 HydrophobicContact CD1-CD1 4.08Å; L117-I157 HydrophobicContact CD1-CG2 3.58Å; V125-I157 HydrophobicContact CG1-CG2 3.54Å; V155-I157 HydrophobicContact CG1-CD1 4.27Å; V155-I157 HydrophobicContact CG1-CG1 3.78Å
158S93.8Very high83.2Confident30 Ų3059.8 Ų59.821%0.2134%0.338CS..EExtended strand (participates in β ladder)trans-100.6136.3169.5179.90000109.2L93 V125 T126 V128L93-S158 CarbonylContact O-C 3.59Å; L93-S158 WeakPolarHBondContact O-CA 3.14Å; V125-S158 WeakPolarHBondContact CA-O 3.42Å; T126-S158 PolarHBondContact N-O 3.16Å; T126-S158 PolarHBondContact O-N 2.72Å; V128-S158 VanDerWaalsContact CG2-CB 3.48Å
159A95.1Very high83.7Confident2 Ų257.3 Ų57.32%0.01734%0.34CS..EExtended strand (participates in β ladder)trans-144.2163.7177.300000110.2K92 L93 F122 V125K92-A159 CarbonylContact C-O 3.55Å; K92-A159 WeakPolarHBondContact CA-O 3.38Å; L93-A159 HydrophobicContact CB-CB 4.49Å; L93-A159 PolarHBondContact N-O 2.83Å; L93-A159 PolarHBondContact O-N 3.1Å; F122-A159 HydrophobicContact CB-CB 3.87Å; F122-A159 HydrophobicContact CD1-CB 4.04Å; F122-A159 HydrophobicContact CG-CB 4.04Å; V125-A159 HydrophobicContact CG2-CB 4.09Å
160S94.6Very high83.7Confident21 Ų2161.1 Ų61.115%0.14736%0.363CS..EExtended strand (participates in β ladder)trans-131.9143.6-178.858.60000111.5G91 M123 S124G91-S160 CarbonylContact O-C 3.59Å; G91-S160 VanDerWaalsContact O-CA 3.31Å; G91-S160 WeakPolarHBondContact O-CA 3.36Å; M123-S160 WeakPolarHBondContact CG-O 3.3Å; M123-S160 PolarHBondContact N-O 2.69Å; M123-S160 PolarHBondContact O-N 2.85Å; M123-S160 PolarHBondContact O-OG 3.26Å; S124-S160 WeakPolarHBondContact CB-OG 3.15Å; S124-S160 PolarHBondContact OG-OG 3.22Å
161K94.6Very high84Confident11 Ų1162.9 Ų62.95%0.04837%0.367CS..  trans-74.2138.1170.7-173.6176175.5172.20109S58 V84 L87 G90 G91S58-K161 PolarHBondContact OG-NZ 2.86Å; V84-K161 HydrophobicContact CG1-CD 4.28Å; V84-K161 HydrophobicContact CG1-CG 4.35Å; V84-K161 WeakPolarHBondContact O-CD 3.15Å; V84-K161 VanDerWaalsContact O-CE 3.31Å; V84-K161 WeakPolarHBondContact O-CE 3.45Å; V84-K161 PolarHBondContact O-NZ 3.06Å; L87-K161 HydrophobicContact CB-CB 4.27Å; L87-K161 HydrophobicContact CB-CD 3.9Å; L87-K161 WeakPolarHBondContact O-CD 3.4Å; L87-K161 WeakPolarHBondContact O-CE 3.49Å; L87-K161 PolarHBondContact O-NZ 3.15Å; G90-K161 VanDerWaalsContact CA-O 3.26Å; G90-K161 WeakPolarHBondContact CA-O 3.33Å; G90-K161 PolarHBondContact N-O 2.88Å; G91-K161 PolarHBondContact O-N 3.26Å
162P91.8Very high84.1Confident9 Ų965.5 Ų65.56%0.05838%0.377CS..  trans-53.8157.2172.4-19.527.4000113.6P89 G90 G121 M123 Y164P89-P162 WeakPolarHBondContact CA-O 3.25Å; G90-P162 PolarHBondContact N-O 3.45Å; G121-P162 WeakPolarHBondContact O-CD 3.49Å; G121-P162 WeakPolarHBondContact O-CG 3.16Å; M123-P162 HydrophobicContact CE-CB 3.51Å; M123-P162 HydrophobicContact CE-CG 3.66Å; M123-P162 HydrophobicContact CG-CB 4.27Å; M123-P162 HydrophobicContact CG-CG 3.89Å; M123-P162 WeakPolarHBondContact SD-CA 3.37Å; M123-P162 HydrophobicContact SD-CB 3.74Å; M123-P162 HydrophobicContact SD-CG 4Å; P162-Y164 HydrophobicContact CB-CD1 3.68Å; P162-Y164 HydrophobicContact CB-CE1 3.39Å; P162-Y164 HydrophobicContact CB-CE2 4.31Å; P162-Y164 HydrophobicContact CB-CG 4.26Å; P162-Y164 HydrophobicContact CG-CE1 4.21Å; P162-Y164 PolarHBondContact O-N 2.97Å
163N89.1Confident83.6Confident140 Ų14074.6 Ų74.675%0.74942%0.416SS*.SBendtrans-75.421177.5-73-12.7000113.5G90G90-N163 WeakPolarHBondContact CA-OD1 3.49Å; G90-N163 PolarHBondContact N-OD1 2.7Å
164Y84.6Confident82.8Confident137 Ų13779 Ų7954%0.53744%0.438SS..SBendtrans-139.3154.8177.461.1-95.2000110.1P162P162-Y164 HydrophobicContact CB-CD1 3.68Å; P162-Y164 HydrophobicContact CB-CE1 3.39Å; P162-Y164 HydrophobicContact CB-CE2 4.31Å; P162-Y164 HydrophobicContact CB-CG 4.26Å; P162-Y164 HydrophobicContact CG-CE1 4.21Å; P162-Y164 PolarHBondContact O-N 2.97Å
165E79Confident81.5Confident84 Ų8483.5 Ų83.539%0.39347%0.474SS..  trans-93.1152.6175.3-62.5-169.1156.200110.6S58 P89 G167 S168S58-E165 VanDerWaalsContact CB-OE1 3.24Å; S58-E165 WeakPolarHBondContact CB-OE1 3.39Å; S58-E165 PolarHBondContact OG-OE1 3.17Å; P89-E165 HydrophobicContact CG-CG 3.85Å; E165-G167 PolarHBondContact O-N 3.1Å; E165-G167 VanDerWaalsContact O-N 3.17Å; E165-S168 PolarHBondContact N-OG 2.84Å; E165-S168 WeakPolarHBondContact O-CB 3.07Å; E165-S168 PolarHBondContact O-N 2.78Å; E165-S168 PolarHBondContact O-OG 3.03Å
166V72.7Confident79.9Confident142 Ų14291.7 Ų91.786%0.86151%0.509SS*.THydrogen-bonded Turntrans-60.8121.2176.1-177.80000108.4
167G74.1Confident77.8Confident80 Ų8091.8 Ų91.883%0.82553%0.53SS*.THydrogen-bonded Turntrans96.1-1.3-173.500000114.9E165 S169E165-G167 PolarHBondContact O-N 3.1Å; E165-G167 VanDerWaalsContact O-N 3.17Å; G167-S169 PolarHBondContact O-N 3.25Å
168S73.6Confident75.8Confident67 Ų67100.7 Ų100.747%0.46957%0.568SS.*  trans-71.5117.1169.7-62.20000110.1E165E165-S168 PolarHBondContact N-OG 2.84Å; E165-S168 WeakPolarHBondContact O-CB 3.07Å; E165-S168 PolarHBondContact O-N 2.78Å; E165-S168 PolarHBondContact O-OG 3.03Å
169S77Confident73.5Confident123 Ų123108.6 Ų108.686%0.8660%0.599SS**  trans-84.9137.3165.359.40000109.1G167G167-S169 PolarHBondContact O-N 3.25Å
170S69.1Low70.7Confident101 Ų101113.7 Ų113.771%0.70663%0.63SS**  trans-126.3122.1168.160.60000107.7L172S170-L172 PolarHBondContact O-N 2.69Å; S170-L172 VanDerWaalsContact O-N 3.11Å
171Q73.9Confident68.2Low175 Ų175118 Ų11882%0.81866%0.658SS**  trans-66.6113.3176.4-164.9175.913.300107.5K173Q171-K173 PolarHBondContact O-N 2.86Å
172L75.4Confident65.9Low135 Ų135127.1 Ų127.171%0.70770%0.697SS**  trans-62.9111.1173.3-67173000107S170 L174S170-L172 PolarHBondContact O-N 2.69Å; S170-L172 VanDerWaalsContact O-N 3.11Å; L172-L174 HydrophobicContact CB-CG 4.17Å; L172-L174 PolarHBondContact O-N 2.63Å
173K69.4Low63.5Low200 Ų200132.2 Ų132.287%0.8773%0.73SS**  trans-71.674.2168.9-71-176.9-179176.30108.2Q171 S175Q171-K173 PolarHBondContact O-N 2.86Å; K173-S175 VanDerWaalsContact C-N 3.34Å; K173-S175 PolarHBondContact O-N 3.33Å
174L69Low61.1Low116 Ų116129.9 Ų129.961%0.60773%0.73SS**  trans-67.4100.4166.9-66.3166.8000105.7L172 F176L172-L174 HydrophobicContact CB-CG 4.17Å; L172-L174 PolarHBondContact O-N 2.63Å; L174-F176 HydrophobicContact CB-CD2 3.59Å; L174-F176 HydrophobicContact CB-CE2 3.52Å; L174-F176 HydrophobicContact CB-CZ 4.5Å; L174-F176 HydrophobicContact CD1-CE2 3.73Å; L174-F176 HydrophobicContact CD2-CE2 4.49Å; L174-F176 HydrophobicContact CG-CE2 4.09Å; L174-F176 PolarHBondContact O-N 3.34Å
175S60.3Low59.4Low119 Ų119132.8 Ų132.883%0.83275%0.749SS**  trans-7168.2169.443.50000108.9K173 G177K173-S175 VanDerWaalsContact C-N 3.34Å; K173-S175 PolarHBondContact O-N 3.33Å; S175-G177 PolarHBondContact O-N 3.26Å
176F57.6Low57.6Low171 Ų171138.2 Ų138.275%0.7577%0.771SS**  trans-67.181.8154.9-68.7-70.1000106.1L174 K178L174-F176 HydrophobicContact CB-CD2 3.59Å; L174-F176 HydrophobicContact CB-CE2 3.52Å; L174-F176 HydrophobicContact CB-CZ 4.5Å; L174-F176 HydrophobicContact CD1-CE2 3.73Å; L174-F176 HydrophobicContact CD2-CE2 4.49Å; L174-F176 HydrophobicContact CG-CE2 4.09Å; L174-F176 PolarHBondContact O-N 3.34Å; F176-K178 PolarHBondContact O-N 3.37Å
177G46.8Very low56.3Low64 Ų64137.2 Ų137.266%0.6677%0.768SS**  trans-53.5108.8175.100000108.4S175 K179S175-G177 PolarHBondContact O-N 3.26Å; G177-K179 VanDerWaalsContact C-N 3.35Å; G177-K179 PolarHBondContact O-N 2.7Å
178K50.7Low54.9Low187 Ų187138.3 Ų138.381%0.81377%0.769SS**  trans-50.296.7169-163.2171.7-170.2169.90109F176 T180F176-K178 PolarHBondContact O-N 3.37Å; K178-T180 HydrophobicContact CG-CG2 4.45Å
179K44.3Very low53.9Low197 Ų197143 Ų14386%0.85779%0.788SS**  trans-116.579.7158.5-74-168.9-179.3179.50107.4G177 P181G177-K179 VanDerWaalsContact C-N 3.35Å; G177-K179 PolarHBondContact O-N 2.7Å; K179-P181 VanDerWaalsContact O-CD 3.26Å; K179-P181 WeakPolarHBondContact O-CD 2.83Å
180T37.1Very low52.6Low109 Ų109142.2 Ų142.267%0.66977%0.774SS**  trans-86.6111.5163.449.80000108.5K178K178-T180 HydrophobicContact CG-CG2 4.45Å
181P41.3Very low52.1Low111 Ų111141.7 Ų141.772%0.72177%0.768SS**  trans-76.2126.5135.526.6-14.9000106.9K179 P183K179-P181 VanDerWaalsContact O-CD 3.26Å; K179-P181 WeakPolarHBondContact O-CD 2.83Å; P181-P183 VanDerWaalsContact O-CD 3.28Å; P181-P183 WeakPolarHBondContact O-CD 3.45Å
182K47Very low51.4Low202 Ų202139 Ų13988%0.87876%0.759SS**  trans-58.4133.1169-161.6180-171.7-179.10108.1
183P41Very low50.5Low116 Ų116136.7 Ų136.775%0.75375%0.751SS**  -142.9142.4127.524.2-3.2000115.4P181P181-P183 VanDerWaalsContact O-CD 3.28Å; P181-P183 WeakPolarHBondContact O-CD 3.45Å
184A39.8Very low49.8Very low91 Ų91135 Ų13575%0.75274%0.744SS**  trans60.1117.6144.300000120.7
185E49.1Very low49.3Very low198 Ų198136.2 Ų136.293%0.92574%0.744SS**  trans-35.7129.2163.2-73.1166.4117.500114.3
186K40.7Very low48.8Very low198 Ų198137.5 Ų137.586%0.86174%0.739SS**  trans-134.4150.5154.8-81.5-172.2-175172.40109.3
187P44.8Very low48.7Very low121 Ų121140.1 Ų140.179%0.78674%0.744SS**PPolyproline II helixtrans-73.3144.6-149.628.2-35000113.5L189P187-L189 PolarHBondContact O-N 3.13Å
188A44.4Very low49.1Very low104 Ų104141.7 Ų141.786%0.8674%0.735SS**PPolyproline II helixtrans-60123.8179.500000111.6
189L52.3Low49Very low164 Ų164139.2 Ų139.286%0.85973%0.73SS**PPolyproline II helixtrans-77.6139166.3-68172000109.7P187P187-L189 PolarHBondContact O-N 3.13Å
190D51.6Low49.4Very low108 Ų108135.7 Ų135.758%0.57873%0.73SS**PPolyproline II helixtrans-57.8133.9-172.9-165.4-90.8000112.4N192 T193D190-N192 PolarHBondContact O-N 3.03Å; D190-N192 WeakPolarHBondContact OD1-CB 3.24Å; D190-N192 PolarHBondContact OD1-N 2.87Å; D190-T193 PolarHBondContact O-OG1 3.25Å; D190-T193 VanDerWaalsContact O-OG1 3.11Å
191P58.2Low50Low90 Ų90132.9 Ų132.958%0.58472%0.718SS**Hα-helixtrans-67-10.2-172.426.3-35.3000114.2
192N58.7Low50.4Low117 Ų117134.2 Ų134.263%0.62672%0.719SS**Hα-helixtrans-85.6-32.6-174.6-145.914.2000113.2D190 K194 K195 M196D190-N192 PolarHBondContact O-N 3.03Å; D190-N192 WeakPolarHBondContact OD1-CB 3.24Å; D190-N192 PolarHBondContact OD1-N 2.87Å; N192-K194 VanDerWaalsContact C-N 3.32Å; N192-K194 PolarHBondContact O-N 2.87Å; N192-K195 PolarHBondContact O-N 3.28Å; N192-M196 PolarHBondContact O-N 3.44Å
193T55.8Low50.4Low88 Ų88131.5 Ų131.554%0.5471%0.714SS.*Hα-helixtrans-69-32.2174.815.20000112.1D190 K195 M196D190-T193 PolarHBondContact O-OG1 3.25Å; D190-T193 VanDerWaalsContact O-OG1 3.11Å; T193-K195 VanDerWaalsContact C-N 3.29Å; T193-K195 PolarHBondContact O-N 3.07Å; T193-M196 PolarHBondContact O-N 3.33Å
194K55.4Low50.7Low163 Ų163132.8 Ų132.871%0.70971%0.712SS**Hα-helixtrans-66.3-31.1175.4-138.9176.1-172.7-176.50112.3N192 M198N192-K194 VanDerWaalsContact C-N 3.32Å; N192-K194 PolarHBondContact O-N 2.87Å; K194-M198 WeakPolarHBondContact O-CG 3.3Å
195K57.9Low51.1Low143 Ų143136.1 Ų136.162%0.62272%0.717SS**Hα-helixtrans-79.6-32.7179.6-70.7179.4-178.9-178.60113.3N192 T193 W197 M198N192-K195 PolarHBondContact O-N 3.28Å; T193-K195 VanDerWaalsContact C-N 3.29Å; T193-K195 PolarHBondContact O-N 3.07Å; K195-W197 VanDerWaalsContact C-N 3.31Å; K195-W197 PolarHBondContact O-N 3.1Å; K195-M198 PolarHBondContact O-N 2.73Å
196M50.7Low51.1Low145 Ų145131.2 Ų131.271%0.71470%0.697SS**Hα-helixtrans-68.1-31.9178.7-159.592.9-170.300112.4N192 T193N192-M196 PolarHBondContact O-N 3.44Å; T193-M196 PolarHBondContact O-N 3.33Å
197W55.3Low51.8Low227 Ų227129.3 Ų129.386%0.8670%0.697SS**THydrogen-bonded Turntrans-89.2-4.8179.7-70.363.3000113.5K195K195-W197 VanDerWaalsContact C-N 3.31Å; K195-W197 PolarHBondContact O-N 3.1Å
198M55.2Low52.3Low96 Ų96130.2 Ų130.247%0.47370%0.695SS.*THydrogen-bonded Turntrans-97.1-0.5176.3-81.4-144.1-68.200114.6K194 K195 S200 A201 N202K194-M198 WeakPolarHBondContact O-CG 3.3Å; K195-M198 PolarHBondContact O-N 2.73Å; M198-S200 PolarHBondContact O-N 3.22Å; M198-S200 VanDerWaalsContact O-N 3.15Å; M198-A201 PolarHBondContact O-N 3.08Å; M198-A201 VanDerWaalsContact O-N 3.09Å; M198-N202 PolarHBondContact O-N 2.84Å
199L47.7Very low52.7Low136 Ų136129.5 Ų129.571%0.71268%0.68SS**THydrogen-bonded Turntrans-68.8-9.6-179.9-101.2150.5000114.6
200S54.1Low53Low122 Ų122129.1 Ų129.185%0.85368%0.679SS**THydrogen-bonded Turntrans-102.3-6.2170.9-64.50000114.4M198M198-S200 PolarHBondContact O-N 3.22Å; M198-S200 VanDerWaalsContact O-N 3.15Å
201A49.3Very low53.7Low50 Ų50130.7 Ų130.741%0.41369%0.686SS.*THydrogen-bonded Turntrans-101.4-18.4177.700000112.8M198 D203 M204M198-A201 PolarHBondContact O-N 3.08Å; M198-A201 VanDerWaalsContact O-N 3.09Å; A201-D203 PolarHBondContact O-N 3.37Å; A201-D203 VanDerWaalsContact O-N 3.13Å; A201-M204 PolarHBondContact O-N 2.88Å
202N48.5Very low54Low140 Ų140133 Ų13375%0.74969%0.692SS**THydrogen-bonded Turntrans-76.65.2-175-147.993000114.8M198M198-N202 PolarHBondContact O-N 2.84Å
203D47.5Very low54.6Low144 Ų144132 Ų13277%0.7769%0.687SS**THydrogen-bonded Turntrans-98.6-3.3173.3-164.543.2000112.7A201A201-D203 PolarHBondContact O-N 3.37Å; A201-D203 VanDerWaalsContact O-N 3.13Å
204M48.3Very low55.1Low143 Ų143131.8 Ų131.870%0.70469%0.69SS**SBendtrans-114.4108166.9-68.9-70.3129.700106.5A201 D206A201-M204 PolarHBondContact O-N 2.88Å; M204-D206 PolarHBondContact O-N 3.3Å
205N47.5Very low55.8Low161 Ų161129.6 Ų129.686%0.86169%0.686SS**  trans-67.958-177.8-17082.2000112.1
206D49.8Very low56.7Low95 Ų95128.3 Ų128.351%0.50869%0.69SS.*  trans-119.682.2-176.9-153.8-1.7000107.8M204 D208M204-D206 PolarHBondContact O-N 3.3Å; D206-D208 PolarHBondContact O-N 2.98Å
207D54.9Low57.7Low159 Ų159127.1 Ų127.185%0.8569%0.686SS**THydrogen-bonded Turntrans-63.9-2177.5-83.9-59.9000113.1
208D54.5Low58.9Low139 Ų139120 Ų12074%0.74366%0.664SS**THydrogen-bonded Turntrans-124.319.4-174.3-82.1-45.2000114.4D206 D210D206-D208 PolarHBondContact O-N 2.98Å; D208-D210 PolarHBondContact O-N 2.7Å
209V53.7Low60Low90 Ų90121 Ų12155%0.54567%0.672SS.*  trans-76.682.2157.5-75.80000109.2L211V209-L211 PolarHBondContact O-N 3.41Å
210D58.1Low61.3Low156 Ų156122.6 Ų122.683%0.83468%0.675SS**  trans-64.486.3168.3-1468.2000107.1D208 L212D208-D210 PolarHBondContact O-N 2.7Å; D210-L212 PolarHBondContact O-N 2.82Å
211L65.6Low62.2Low141 Ų141122.1 Ų122.174%0.73866%0.663SS**  trans-54.7105.6177.5-80.9169.5000107V209 D213V209-L211 PolarHBondContact O-N 3.41Å; L211-D213 PolarHBondContact O-N 2.92Å
212L66.1Low63.6Low137 Ų137124.6 Ų124.672%0.71767%0.67SS**  trans-50.8120.8178.4-83.9106.6000108.7D210 S214D210-L212 PolarHBondContact O-N 2.82Å; L212-S214 PolarHBondContact O-N 3.38Å; L212-S214 VanDerWaalsContact O-N 3.16Å
213D69.9Low64.9Low96 Ų96123.5 Ų123.551%0.51366%0.663SS.*  trans-65.4115.6178.3-174.37.3000108.7L211 D215 T216L211-D213 PolarHBondContact O-N 2.92Å; D213-D215 PolarHBondContact O-N 2.96Å; D213-D215 VanDerWaalsContact O-N 3.08Å; D213-D215 PolarHBondContact OD1-N 3.44Å; D213-T216 WeakPolarHBondContact O-CB 3.34Å; D213-T216 PolarHBondContact O-N 2.85Å
214S66.8Low66.4Low85 Ų85122.8 Ų122.859%0.59465%0.653SS**G310 helixtrans-53.3-30.2-179.6-50.40000112.1L212 T216 L217L212-S214 PolarHBondContact O-N 3.38Å; L212-S214 VanDerWaalsContact O-N 3.16Å; S214-T216 VanDerWaalsContact C-N 3.27Å; S214-T216 PolarHBondContact O-N 3.39Å; S214-L217 PolarHBondContact O-N 3.3Å
215D70.6Confident67.7Low116 Ų116125.2 Ų125.262%0.6266%0.66SS**G310 helixtrans-71.7-19.6178.5-75.5-11.1000113D213 L217D213-D215 PolarHBondContact O-N 2.96Å; D213-D215 VanDerWaalsContact O-N 3.08Å; D213-D215 PolarHBondContact OD1-N 3.44Å; D215-L217 VanDerWaalsContact C-N 3.33Å
216T76.3Confident69.1Low117 Ų117121.6 Ų121.672%0.71865%0.645SS**G310 helixtrans-79.9-17174.8-58.70000112.4D213 S214D213-T216 WeakPolarHBondContact O-CB 3.34Å; D213-T216 PolarHBondContact O-N 2.85Å; S214-T216 VanDerWaalsContact C-N 3.27Å; S214-T216 PolarHBondContact O-N 3.39Å
217L72.8Confident70.2Confident120 Ų120122.3 Ų122.363%0.62865%0.649SS**G310 helixtrans-93.4-3.3178.7-65.8176000113.6S214 D215S214-L217 PolarHBondContact O-N 3.3Å; D215-L217 VanDerWaalsContact C-N 3.33Å
218L80.9Confident70.8Confident77 Ų77118.2 Ų118.240%0.40364%0.637SS.*  trans-94.7128.3178.9-63.2-179.5000110.2D222L218-D222 HydrophobicContact CB-CB 4.04Å; L218-D222 HydrophobicContact CD2-CB 3.96Å; L218-D222 HydrophobicContact CG-CB 4.47Å
219D77.4Confident71.4Confident117 Ų117114.9 Ų114.963%0.62663%0.628SS**  trans-82.1168.4176.1-69.7-47.1000110.9D221 D222 L223D219-D221 PolarHBondContact O-N 2.71Å; D219-D222 PolarHBondContact N-OD2 2.98Å; D219-D222 PolarHBondContact O-N 3.47Å; D219-L223 PolarHBondContact O-N 3.08Å
220E74.3Confident72Confident169 Ų169115.2 Ų115.279%0.7964%0.635SS**THydrogen-bonded Turntrans-60.9-17.4179.9-64.2-172.5103.700113.8
221D73.6Confident72.1Confident112 Ų112113.4 Ų113.460%0.59963%0.625SS**THydrogen-bonded Turntrans-79.5-32.7172.3-84.1-71000113.1D219 L223 K224D219-D221 PolarHBondContact O-N 2.71Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-K224 WeakPolarHBondContact O-CB 3.41Å; D221-K224 PolarHBondContact O-N 3.1Å; D221-K224 IonicContact OD1-NZ 3.61Å; D221-K224 PolarHBondContact OD1-NZ 3.28Å; D221-K224 IonicContact OD2-NZ 3.61Å
222D78.3Confident72Confident103 Ų103113.7 Ų113.755%0.55162%0.62SS**THydrogen-bonded Turntrans-73.8-26.8177.4-68.1-58.5000112.4L218 D219 K224L218-D222 HydrophobicContact CB-CB 4.04Å; L218-D222 HydrophobicContact CD2-CB 3.96Å; L218-D222 HydrophobicContact CG-CB 4.47Å; D219-D222 PolarHBondContact N-OD2 2.98Å; D219-D222 PolarHBondContact O-N 3.47Å; D222-K224 PolarHBondContact O-N 3.28Å
223L76.2Confident71.6Confident116 Ų116109.8 Ų109.861%0.60761%0.608SS**THydrogen-bonded Turntrans-74.2-11.2174.9-67.4170.5000112.8D219 D221 K225D219-L223 PolarHBondContact O-N 3.08Å; D221-L223 VanDerWaalsContact C-N 3.33Å; L223-K225 PolarHBondContact O-N 3.46Å
224K80.1Confident71Confident130 Ų130111.8 Ų111.857%0.56563%0.629SS**SBendtrans-74.2100.1176.2-67.3172.4-169.2166.30108.9D221 D222 P226D221-K224 WeakPolarHBondContact O-CB 3.41Å; D221-K224 PolarHBondContact O-N 3.1Å; D221-K224 IonicContact OD1-NZ 3.61Å; D221-K224 PolarHBondContact OD1-NZ 3.28Å; D221-K224 IonicContact OD2-NZ 3.61Å; D222-K224 PolarHBondContact O-N 3.28Å; K224-P226 WeakPolarHBondContact O-CD 3.44Å
225K74.6Confident70.4Confident194 Ų194113.2 Ų113.284%0.84364%0.639SS**PPolyproline II helixtrans-55.1125.4172.3-65.2-179.1-174-178.90108.9L223L223-K225 PolarHBondContact O-N 3.46Å
226P76.3Confident69.7Low84 Ų84111.3 Ų111.355%0.54563%0.634SS.*PPolyproline II helixtrans-58.9143.6174.120.6-30.3000110.3K224 A228 L231K224-P226 WeakPolarHBondContact O-CD 3.44Å; P226-A228 PolarHBondContact O-N 2.99Å; P226-L231 HydrophobicContact CB-CD1 4.45Å; P226-L231 HydrophobicContact CB-CD2 4.27Å; P226-L231 HydrophobicContact CB-CG 4.29Å; P226-L231 HydrophobicContact CG-CD1 3.94Å; P226-L231 HydrophobicContact CG-CD2 4.05Å; P226-L231 HydrophobicContact CG-CG 4.2Å
227D73.3Confident68.4Low111 Ų111107.6 Ų107.659%0.59462%0.619SS**PPolyproline II helixtrans-57.5131.4-177.2-172-79.8000110.8A229 S230 L231D227-A229 PolarHBondContact O-N 3.1Å; D227-A229 VanDerWaalsContact O-N 3.08Å; D227-A229 WeakPolarHBondContact OD1-CA 3.33Å; D227-A229 WeakPolarHBondContact OD1-CB 3.21Å; D227-A229 PolarHBondContact OD1-N 3.05Å; D227-S230 WeakPolarHBondContact O-CA 3.35Å; D227-S230 WeakPolarHBondContact O-CB 3.42Å; D227-S230 PolarHBondContact O-N 3.13Å; D227-L231 PolarHBondContact O-N 3.13Å
228A66.9Low67.5Low73 Ų73111.6 Ų111.660%0.60364%0.635SS**THydrogen-bonded Turntrans-62-19.7-175.300000113.2P226P226-A228 PolarHBondContact O-N 2.99Å
229A67Low66.1Low68 Ų68110.6 Ų110.656%0.56264%0.642SS**THydrogen-bonded Turntrans-76.7-32.6171.800000112.2D227 L231 K232D227-A229 PolarHBondContact O-N 3.1Å; D227-A229 VanDerWaalsContact O-N 3.08Å; D227-A229 WeakPolarHBondContact OD1-CA 3.33Å; D227-A229 WeakPolarHBondContact OD1-CB 3.21Å; D227-A229 PolarHBondContact OD1-N 3.05Å; A229-L231 VanDerWaalsContact C-N 3.33Å; A229-K232 PolarHBondContact O-N 3.44Å
230S66.6Low64.6Low98 Ų98111.2 Ų111.269%0.68565%0.651SS**THydrogen-bonded Turntrans-73.5-23.9177.2-172.10000113.2D227 K232D227-S230 WeakPolarHBondContact O-CA 3.35Å; D227-S230 WeakPolarHBondContact O-CB 3.42Å; D227-S230 PolarHBondContact O-N 3.13Å; S230-K232 VanDerWaalsContact C-N 3.34Å
231L60.6Low63.5Low118 Ų118107.2 Ų107.262%0.61866%0.655SS**THydrogen-bonded Turntrans-85-6.4178-67.7178.3000113.6P226 D227 A229 A233P226-L231 HydrophobicContact CB-CD1 4.45Å; P226-L231 HydrophobicContact CB-CD2 4.27Å; P226-L231 HydrophobicContact CB-CG 4.29Å; P226-L231 HydrophobicContact CG-CD1 3.94Å; P226-L231 HydrophobicContact CG-CD2 4.05Å; P226-L231 HydrophobicContact CG-CG 4.2Å; D227-L231 PolarHBondContact O-N 3.13Å; A229-L231 VanDerWaalsContact C-N 3.33Å; L231-A233 PolarHBondContact O-N 3.01Å; L231-A233 VanDerWaalsContact O-N 3.1Å
232K63.9Low62.7Low146 Ų146111.1 Ų111.164%0.63567%0.667SS**  trans-79.194.7171.9-67.8179.7-167.9178.60108.4A229 S230 S234A229-K232 PolarHBondContact O-N 3.44Å; S230-K232 VanDerWaalsContact C-N 3.34Å; K232-S234 PolarHBondContact O-N 2.94Å
233A57.5Low61.9Low56 Ų56113.3 Ų113.346%0.46367%0.671SS.*  trans-53.5131.6162.800000108.7L231 S235 C236L231-A233 PolarHBondContact O-N 3.01Å; L231-A233 VanDerWaalsContact O-N 3.1Å; A233-S235 PolarHBondContact O-N 3.27Å; A233-C236 HydrophobicContact CB-CB 4.47Å; A233-C236 PolarHBondContact O-N 3.31Å
234S56.6Low61.6Low137 Ų137114.2 Ų114.296%0.95867%0.67SS**THydrogen-bonded Turntrans-57.9-5.8179.8-390000114K232K232-S234 PolarHBondContact O-N 2.94Å
235S54.8Low61.3Low115 Ų115117.3 Ų117.380%0.80468%0.684SS**THydrogen-bonded Turntrans-113.3-1.2178.265.60000114.9A233A233-S235 PolarHBondContact O-N 3.27Å
236C56.3Low61.6Low77 Ų77109.9 Ų109.952%0.5266%0.659SS.*SBendtrans-139.240.9-177.2-157.20000113.7A233A233-C236 HydrophobicContact CB-CB 4.47Å; A233-C236 PolarHBondContact O-N 3.31Å
237G49.3Very low61.7Low39 Ų39110.8 Ų110.840%0.40267%0.666SS.*SBendtrans-138.9152.517000000110.7G239G237-G239 PolarHBondContact O-N 2.81Å
238E53Low61.9Low204 Ų204115.5 Ų115.595%0.95368%0.681SS**SBendtrans-4767.9179.9-162.767.9-147.500114
239G51Low62.2Low55 Ų55119 Ų11957%0.56769%0.69SS**  trans-162.445.7-167.100000110.4G237G237-G239 PolarHBondContact O-N 2.81Å
240T45.8Very low62.8Low130 Ų130117.5 Ų117.580%0.79868%0.675SS**SBendtrans179.460.1157.336.40000109.8K242T240-K242 PolarHBondContact O-N 3.37Å
241G52.2Low63.3Low86 Ų86119.9 Ų119.989%0.88769%0.685SS**SBendtrans49.912.9151.400000120.8
242K56.5Low64.1Low194 Ų194119.2 Ų119.284%0.84369%0.689SS**  trans-131.9108.1180-71.4-175.5-179.2175.60109T240 K244T240-K242 PolarHBondContact O-N 3.37Å; K242-K244 PolarHBondContact O-N 2.99Å
243K62.2Low64.8Low148 Ų148113.1 Ų113.164%0.64367%0.668SS**PPolyproline II helixtrans-46.8134.6170.3-63.6-169.8172.4-156.90109.8K245 E261K243-K245 PolarHBondContact O-N 3.01Å; K243-E261 IonicContact NZ-OE2 3.83Å
244K69.3Low65.9Low135 Ų135113.7 Ų113.759%0.58766%0.663SS**PPolyproline II helixtrans-56.7130.5177.3-66178.5179.2179.20108.6K242 L258K242-K244 PolarHBondContact O-N 2.99Å; K244-L258 VanDerWaalsContact O-CD1 3.25Å; K244-L258 WeakPolarHBondContact O-CD1 3.36Å
245K74.8Confident67Low196 Ų196108.7 Ų108.785%0.85263%0.63SS**PPolyproline II helixtrans-89.4136.3177.2-71.6-176.7178.1-176.80109.7K243K243-K245 PolarHBondContact O-N 3.01Å
246A79.5Confident68.2Low38 Ų38109.6 Ų109.631%0.31462%0.621SS.*PPolyproline II helixtrans-64.8143.9169.700000110.9C250 A255 L258A246-C250 HydrophobicContact CB-CB 4.07Å; A246-A255 HydrophobicContact CB-CB 3.93Å; A246-L258 HydrophobicContact CB-CD1 4.43Å
247C79.5Confident69.3Low103 Ų103111.3 Ų111.370%0.69662%0.622SS**PPolyproline II helixtrans-64.4157.8172.2-60.50000110.9N249 C250C247-N249 PolarHBondContact O-N 3.34Å; C247-N249 VanDerWaalsContact O-N 3.08Å; C247-C250 WeakPolarHBondContact O-CB 3.47Å; C247-C250 PolarHBondContact O-N 3.28Å
248K76.3Confident70.4Confident209 Ų209111.9 Ų111.991%0.90962%0.615SS**THydrogen-bonded Turntrans-63.6-18-171.8-158.4163.2-178.3-178.60115.1
249N73.9Confident71.3Confident147 Ų147107.4 Ų107.479%0.78660%0.595SS**THydrogen-bonded Turntrans-133.455.8172.4-66.8-37.3000109.7C247 T251C247-N249 PolarHBondContact O-N 3.34Å; C247-N249 VanDerWaalsContact O-N 3.08Å; N249-T251 PolarHBondContact O-N 2.97Å
250C80.5Confident72.2Confident37 Ų37110.9 Ų110.925%0.2560%0.596CS.*  trans-69.6113.5-177.5-174.40000110.9A246 C247 C252 A255A246-C250 HydrophobicContact CB-CB 4.07Å; C247-C250 WeakPolarHBondContact O-CB 3.47Å; C247-C250 PolarHBondContact O-N 3.28Å; C250-C252 PolarHBondContact SG-SG 3.34Å; C250-A255 HydrophobicContact CB-CB 4.22Å
251T75.8Confident73Confident147 Ų147109.3 Ų109.390%0.90258%0.58SS**  trans-101.9-0.6176.537.30000113.4N249N249-T251 PolarHBondContact O-N 2.97Å
252C78.2Confident73.4Confident104 Ų104108.3 Ų108.370%0.70356%0.559SS**SBendtrans-9611.5-176.266.20000114.7C250 L254C250-C252 PolarHBondContact SG-SG 3.34Å; C252-L254 VanDerWaalsContact C-N 3.28Å; C252-L254 PolarHBondContact O-N 3.15Å
253G78.1Confident73.3Confident19 Ų19105.8 Ų105.820%0.19655%0.548CS..SBendtrans81.5-10.9174.900000116.2A255 E256 E257G253-A255 PolarHBondContact O-N 3.23Å; G253-A255 VanDerWaalsContact O-N 3.15Å; G253-E256 WeakPolarHBondContact CA-OE2 3.35Å; G253-E256 WeakPolarHBondContact O-CB 3.45Å; G253-E256 PolarHBondContact O-N 3.4Å; G253-E257 PolarHBondContact O-N 3.06Å
254L79.9Confident72.7Confident68 Ų68106.7 Ų106.736%0.35655%0.554SS.*Hα-helixtrans-61.7-27.6-179.7-169.969.1000113.2C252 E256 L258C252-L254 VanDerWaalsContact C-N 3.28Å; C252-L254 PolarHBondContact O-N 3.15Å; L254-E256 VanDerWaalsContact C-N 3.33Å; L254-L258 WeakPolarHBondContact O-CG 3.5Å; L254-L258 PolarHBondContact O-N 2.7Å
255A79.8Confident71.7Confident31 Ų31104.8 Ų104.826%0.25656%0.558SS.*Hα-helixtrans-65-38.3174.400000111.9A246 C250 G253 E259A246-A255 HydrophobicContact CB-CB 3.93Å; C250-A255 HydrophobicContact CB-CB 4.22Å; G253-A255 PolarHBondContact O-N 3.23Å; G253-A255 VanDerWaalsContact O-N 3.15Å; A255-E259 WeakPolarHBondContact O-CG 3.4Å; A255-E259 PolarHBondContact O-N 3.28Å
256E81.3Confident70.3Confident134 Ų134103.4 Ų103.463%0.62656%0.555SS**Hα-helixtrans-72.8-38.1-176.3-64.4158.3161.800111G253 L254 E259 Q260G253-E256 WeakPolarHBondContact CA-OE2 3.35Å; G253-E256 WeakPolarHBondContact O-CB 3.45Å; G253-E256 PolarHBondContact O-N 3.4Å; L254-E256 VanDerWaalsContact C-N 3.33Å; E256-E259 PolarHBondContact O-N 2.66Å; E256-Q260 WeakPolarHBondContact O-CG 3.25Å; E256-Q260 PolarHBondContact O-N 3.2Å
257E78.8Confident68.7Low113 Ų113110.6 Ų110.653%0.52858%0.579SS.*Hα-helixtrans-65.1-44.8175-69.9179112.200112.2G253 E259 Q260 E261G253-E257 PolarHBondContact O-N 3.06Å; E257-E259 VanDerWaalsContact C-N 3.26Å; E257-E259 PolarHBondContact O-N 3.19Å; E257-Q260 PolarHBondContact O-N 3.36Å; E257-E261 PolarHBondContact O-N 3.3Å
258L73.2Confident66.9Low51 Ų51111.6 Ų111.627%0.26758%0.582SS.*Hα-helixtrans-63.1-33.4176.8-71.5173.5000112.3K244 A246 L254 S262K244-L258 VanDerWaalsContact O-CD1 3.25Å; K244-L258 WeakPolarHBondContact O-CD1 3.36Å; A246-L258 HydrophobicContact CB-CD1 4.43Å; L254-L258 WeakPolarHBondContact O-CG 3.5Å; L254-L258 PolarHBondContact O-N 2.7Å; L258-S262 PolarHBondContact O-N 3.18Å
259E71.8Confident65.5Low111 Ų111109.5 Ų109.552%0.51958%0.581SS.*Hα-helixtrans-72.1-38.6174.5-75.6-173.8-175.100112.5A255 E256 E257 S262 K263A255-E259 WeakPolarHBondContact O-CG 3.4Å; A255-E259 PolarHBondContact O-N 3.28Å; E256-E259 PolarHBondContact O-N 2.66Å; E257-E259 VanDerWaalsContact C-N 3.26Å; E257-E259 PolarHBondContact O-N 3.19Å; E259-S262 PolarHBondContact O-N 3.2Å; E259-S262 PolarHBondContact O-OG 3.19Å; E259-K263 WeakPolarHBondContact O-CG 3.45Å; E259-K263 PolarHBondContact O-N 3.08Å
260Q69.3Low64.3Low127 Ų127109 Ų10959%0.59358%0.577SS**Hα-helixtrans-64.9-45.2176.3-78.5175.8-6.700112E256 E257 S262 K263 E264E256-Q260 WeakPolarHBondContact O-CG 3.25Å; E256-Q260 PolarHBondContact O-N 3.2Å; E257-Q260 PolarHBondContact O-N 3.36Å; Q260-S262 PolarHBondContact O-N 3.17Å; Q260-K263 PolarHBondContact O-N 3.43Å; Q260-E264 PolarHBondContact O-N 3.37Å
261E62.9Low62.9Low98 Ų98113.7 Ų113.746%0.45861%0.607SS.*Hα-helixtrans-60.6-34.4175.4-72.8-172.4169.200112.7K243 E257 K263 S265K243-E261 IonicContact NZ-OE2 3.83Å; E257-E261 PolarHBondContact O-N 3.3Å; E261-K263 VanDerWaalsContact C-N 3.32Å; E261-S265 PolarHBondContact O-OG 2.68Å
262S59.3Low61.6Low65 Ų65115.6 Ų115.646%0.45560%0.603SS.*Hα-helixtrans-69.6-30.8177.278.70000112.7L258 E259 Q260L258-S262 PolarHBondContact O-N 3.18Å; E259-S262 PolarHBondContact O-N 3.2Å; E259-S262 PolarHBondContact O-OG 3.19Å; Q260-S262 PolarHBondContact O-N 3.17Å
263K54.3Low60.5Low141 Ų141114.3 Ų114.361%0.61360%0.595SS**Hα-helixtrans-76.9-29.7179.2-72.5169.8-174.4167.10112.3E259 Q260 E261 S265E259-K263 WeakPolarHBondContact O-CG 3.45Å; E259-K263 PolarHBondContact O-N 3.08Å; Q260-K263 PolarHBondContact O-N 3.43Å; E261-K263 VanDerWaalsContact C-N 3.32Å; K263-S265 VanDerWaalsContact C-N 3.32Å
264E51.1Low59.4Low166 Ų166119.3 Ų119.378%0.77664%0.635SS**Hα-helixtrans-75.2-20.1175.7-77.7174.1154.500113.6Q260Q260-E264 PolarHBondContact O-N 3.37Å
265S47.4Very low58.4Low96 Ų96120.3 Ų120.367%0.67165%0.647SS**THydrogen-bonded Turntrans-87.9-0.9179.8-56.60000114.7E261 K263E261-S265 PolarHBondContact O-OG 2.68Å; K263-S265 VanDerWaalsContact C-N 3.32Å
266Q45.9Very low57.8Low166 Ų166120.6 Ų120.678%0.77665%0.652SS**  trans-114.866.5179.6-76.9-169.7-15.500112.5
267K45.8Very low57.5Low189 Ų189116 Ų11682%0.82264%0.635SS**  trans-124.370159.9-78.8-174.5-179.1173.40110.7
268T42.6Very low56.9Low125 Ų125112.4 Ų112.477%0.76762%0.622SS**  trans-135.698.7158.556.30000108.7L270T268-L270 PolarHBondContact O-N 3.36Å
269N45.6Very low56.8Low165 Ų165114.2 Ų114.288%0.88263%0.626SS**  trans-67.6115.2175.6-77.1-78.9000110.1
270L48.8Very low56.8Low136 Ų136113.1 Ų113.171%0.71262%0.623SS**  trans-131.6138.5157.1-80.9115.9000108.9T268 K272T268-L270 PolarHBondContact O-N 3.36Å; L270-K272 PolarHBondContact O-N 3.13Å; L270-K272 VanDerWaalsContact O-N 3.13Å
271P50.7Low57.2Low135 Ų135107.5 Ų107.588%0.87760%0.599SS**  trans-67.3113.1-177.927-32.3000109.7
272K48.6Very low57.8Low188 Ų188105.8 Ų105.882%0.81759%0.593SS**  trans-81.7125.4173.5-70.8176.6-178.8173.30108.6L270L270-K272 PolarHBondContact O-N 3.13Å; L270-K272 VanDerWaalsContact O-N 3.13Å
273S55Low58.7Low77 Ų77107.3 Ų107.354%0.53861%0.609SS.*  trans-63.7154.4161.259.10000109.5C275 G276S273-C275 PolarHBondContact O-N 3.28Å; S273-G276 PolarHBondContact O-N 3.22Å
274A55.3Low59.5Low123 Ų123105.9 Ų105.9100%1.01760%0.603SS**THydrogen-bonded Turntrans-56-15.1-169.600000115.9
275C59.6Low60.6Low90 Ų9098.7 Ų98.761%0.60857%0.569SS**THydrogen-bonded Turntrans-109.6-12.8178.1-177.80000113.9S273 S277S273-C275 PolarHBondContact O-N 3.28Å; C275-S277 WeakPolarHBondContact O-CB 3.28Å; C275-S277 PolarHBondContact O-N 2.94Å; C275-S277 PolarHBondContact O-OG 3.08Å
276G67.4Low62Low36 Ų3698.6 Ų98.637%0.37157%0.568SS.*  trans58.50.2170.500000118.1S273 Y279S273-G276 PolarHBondContact O-N 3.22Å; G276-Y279 VanDerWaalsContact O-CE1 3.28Å; G276-Y279 WeakPolarHBondContact O-CE1 3.43Å
277S73.1Confident63.2Low37 Ų3795.7 Ų95.726%0.25957%0.572SS.*  trans-120.36.5-163.6-56.50000114.2C275 Y279 L280C275-S277 WeakPolarHBondContact O-CB 3.28Å; C275-S277 PolarHBondContact O-N 2.94Å; C275-S277 PolarHBondContact O-OG 3.08Å; S277-Y279 PolarHBondContact O-N 2.86Å; S277-Y279 VanDerWaalsContact O-N 3.08Å; S277-L280 WeakPolarHBondContact O-CB 3.46Å; S277-L280 PolarHBondContact O-N 2.88Å; S277-L280 VanDerWaalsContact O-N 3.07Å
278C67.8Low64.3Low38 Ų3892.1 Ų92.126%0.25757%0.57SS.*G310 helixtrans-57.1-27.1-175.5-174.40000114.1L280 R285C278-L280 PolarHBondContact O-N 3.5Å; C278-R285 PolarHBondContact O-NE 3.33Å
279Y70.7Confident65.6Low90 Ų9087.3 Ų87.335%0.35354%0.542SS..G310 helixtrans-69.5-18179.969-93.7000113.7G276 S277 G281 A296 F297 P299G276-Y279 VanDerWaalsContact O-CE1 3.28Å; G276-Y279 WeakPolarHBondContact O-CE1 3.43Å; S277-Y279 PolarHBondContact O-N 2.86Å; S277-Y279 VanDerWaalsContact O-N 3.08Å; Y279-G281 PolarHBondContact O-N 2.78Å; Y279-A296 WeakPolarHBondContact O-CB 3.3Å; Y279-F297 WeakPolarHBondContact CB-O 3.48Å; Y279-F297 PolarHBondContact O-N 3.32Å; Y279-F297 VanDerWaalsContact O-N 3.13Å; Y279-P299 HydrophobicContact CD1-CG 4.23Å; Y279-P299 HydrophobicContact CD2-CG 4.13Å; Y279-P299 HydrophobicContact CE1-CG 4.47Å; Y279-P299 HydrophobicContact CE2-CG 4.38Å; Y279-P299 HydrophobicContact CG-CG 4.06Å
280L72.6Confident66.8Low88 Ų8883 Ų8346%0.46152%0.523SS..G310 helixtrans-78.5-2.6-177.5-67.3167.9000114.1S277 C278 F284S277-L280 WeakPolarHBondContact O-CB 3.46Å; S277-L280 PolarHBondContact O-N 2.88Å; S277-L280 VanDerWaalsContact O-N 3.07Å; C278-L280 PolarHBondContact O-N 3.5Å; L280-F284 HydrophobicContact CB-CD2 3.74Å; L280-F284 HydrophobicContact CB-CE2 4.18Å; L280-F284 HydrophobicContact CB-CG 4.47Å
281G75.8Confident67.8Low9 Ų980 Ų809%0.09350%0.503CS..  trans109.8-176.8175.400000113.9Y279 A283 F284 R285Y279-G281 PolarHBondContact O-N 2.78Å; G281-A283 VanDerWaalsContact C-N 3.26Å; G281-A283 PolarHBondContact O-N 3.07Å; G281-A283 VanDerWaalsContact O-N 3.16Å; G281-F284 PolarHBondContact O-N 3.32Å; G281-R285 WeakPolarHBondContact O-CG 3.46Å
282D77.4Confident68.8Low62 Ų6277.9 Ų77.933%0.33248%0.484SS..G310 helixtrans-64.5-22.7-166.2-65.7-25.6000115.2F284 R285 L292 G293D282-F284 PolarHBondContact O-N 3.08Å; D282-F284 VanDerWaalsContact O-N 3.11Å; D282-R285 PolarHBondContact O-N 3.13Å; D282-R285 VanDerWaalsContact OD1-CD 3.3Å; D282-R285 WeakPolarHBondContact OD1-CD 3.4Å; D282-R285 IonicContact OD1-CZ 3.82Å; D282-R285 IonicContact OD1-NE 2.7Å; D282-R285 IonicContact OD1-NH1 2.98Å; D282-R285 PolarHBondContact OD1-NH1 3.09Å; D282-L292 WeakPolarHBondContact OD1-CA 3.18Å; D282-G293 PolarHBondContact OD1-N 3.04Å; D282-G293 VanDerWaalsContact OD1-N 3.13Å; D282-G293 WeakPolarHBondContact OD2-CA 3.37Å; D282-G293 PolarHBondContact OD2-N 3.08Å
283A76.8Confident70Confident96 Ų9672 Ų7279%0.79348%0.476SS*.G310 helixtrans-61.1-19.6172.400000112.9G281G281-A283 VanDerWaalsContact C-N 3.26Å; G281-A283 PolarHBondContact O-N 3.07Å; G281-A283 VanDerWaalsContact O-N 3.16Å
284F71.7Confident70.9Confident111 Ų11172 Ų7249%0.48747%0.468SS..G310 helixtrans-118.410.7-178.6-58.3-80000112.9L280 G281 D282L280-F284 HydrophobicContact CB-CD2 3.74Å; L280-F284 HydrophobicContact CB-CE2 4.18Å; L280-F284 HydrophobicContact CB-CG 4.47Å; G281-F284 PolarHBondContact O-N 3.32Å; D282-F284 PolarHBondContact O-N 3.08Å; D282-F284 VanDerWaalsContact O-N 3.11Å
285R74.4Confident71.7Confident15 Ų1571.5 Ų71.56%0.05746%0.455CS..SBendtrans-104.8132.1177.5-65176.2-170160.2-3.7108.8C278 G281 D282 C289 Y291 L292 M294 P295 F297C278-R285 PolarHBondContact O-NE 3.33Å; G281-R285 WeakPolarHBondContact O-CG 3.46Å; D282-R285 PolarHBondContact O-N 3.13Å; D282-R285 VanDerWaalsContact OD1-CD 3.3Å; D282-R285 WeakPolarHBondContact OD1-CD 3.4Å; D282-R285 IonicContact OD1-CZ 3.82Å; D282-R285 IonicContact OD1-NE 2.7Å; D282-R285 IonicContact OD1-NH1 2.98Å; D282-R285 PolarHBondContact OD1-NH1 3.09Å; R285-C289 HydrophobicContact CB-CB 3.88Å; R285-Y291 PolarHBondContact NH1-O 2.75Å; R285-L292 HydrophobicContact CB-CD1 3.96Å; R285-M294 PolarHBondContact NH1-O 2.81Å; R285-P295 PolarHBondContact NH2-O 2.73Å; R285-P295 VanDerWaalsContact NH2-O 3.09Å; R285-F297 VanDerWaalsContact NH2-CE1 3.28Å
286C76.3Confident72.4Confident95 Ų9570.5 Ų70.564%0.64245%0.453SS*.  trans-63.9155.9176.9-58.20000110.7S288 C289 L292C286-S288 PolarHBondContact O-N 3.06Å; C286-C289 WeakPolarHBondContact O-CB 3.39Å; C286-C289 PolarHBondContact O-N 2.98Å; C286-L292 VanDerWaalsContact O-CD1 3.3Å; C286-L292 WeakPolarHBondContact O-CD1 3.46Å
287A71Confident72.7Confident105 Ų10571 Ų7187%0.86845%0.445SS*.THydrogen-bonded Turntrans-58.4-20.7-176.700000114.7
288S68.8Low72.7Confident113 Ų11377 Ų7779%0.7947%0.467SS*.THydrogen-bonded Turntrans-96.113.8175.751.30000114.1C286 P290C286-S288 PolarHBondContact O-N 3.06Å; S288-P290 WeakPolarHBondContact O-CD 3.3Å
289C69.8Low72.6Confident25 Ų2580 Ų8017%0.16949%0.485CS..  trans-76.3124.8-177.5-170.20000111.3R285 C286 Y291 L292R285-C289 HydrophobicContact CB-CB 3.88Å; C286-C289 WeakPolarHBondContact O-CB 3.39Å; C286-C289 PolarHBondContact O-N 2.98Å; C289-Y291 PolarHBondContact O-N 2.8Å; C289-L292 HydrophobicContact CB-CD1 4.21Å; C289-L292 WeakPolarHBondContact O-CB 3.14Å; C289-L292 PolarHBondContact O-N 3.16Å; C289-L292 VanDerWaalsContact O-N 3.08Å
290P72.3Confident72.5Confident74 Ų7479.4 Ų79.448%0.48151%0.506SS..THydrogen-bonded Turntrans-61.2-18.7178.8-23.833.7000114.5S288 L305S288-P290 WeakPolarHBondContact O-CD 3.3Å; P290-L305 HydrophobicContact CB-CD1 3.99Å
291Y68.4Low72.3Confident73 Ų7381.2 Ų81.229%0.28651%0.513SS..THydrogen-bonded Turntrans-94.96.9-178.4-54.8-77.5000113R285 C289 G293 M294 I303 L305R285-Y291 PolarHBondContact NH1-O 2.75Å; C289-Y291 PolarHBondContact O-N 2.8Å; Y291-G293 PolarHBondContact O-N 2.9Å; Y291-M294 HydrophobicContact CD1-SD 4.15Å; Y291-M294 PolarHBondContact O-N 3.16Å; Y291-M294 VanDerWaalsContact O-N 3.16Å; Y291-I303 HydrophobicContact CD1-CB 4.46Å; Y291-I303 HydrophobicContact CD1-CD1 4.19Å; Y291-I303 HydrophobicContact CD1-CG2 4.06Å; Y291-I303 HydrophobicContact CE1-CB 3.98Å; Y291-I303 HydrophobicContact CE1-CD1 4.24Å; Y291-I303 HydrophobicContact CE1-CG2 3.88Å; Y291-L305 HydrophobicContact CD1-CD1 4.19Å; Y291-L305 HydrophobicContact CD1-CD2 3.74Å; Y291-L305 HydrophobicContact CD1-CG 4.21Å; Y291-L305 HydrophobicContact CE1-CD1 3.51Å; Y291-L305 HydrophobicContact CE1-CD2 3.65Å; Y291-L305 HydrophobicContact CE1-CG 3.59Å; Y291-L305 HydrophobicContact CE2-CD1 4.48Å
292L72.1Confident71.6Confident91 Ų9190.3 Ų90.348%0.47655%0.55SS..THydrogen-bonded Turntrans-62.8124.8179.4-142.2105.4000110.2D282 R285 C286 C289D282-L292 WeakPolarHBondContact OD1-CA 3.18Å; R285-L292 HydrophobicContact CB-CD1 3.96Å; C286-L292 VanDerWaalsContact O-CD1 3.3Å; C286-L292 WeakPolarHBondContact O-CD1 3.46Å; C289-L292 HydrophobicContact CB-CD1 4.21Å; C289-L292 WeakPolarHBondContact O-CB 3.14Å; C289-L292 PolarHBondContact O-N 3.16Å; C289-L292 VanDerWaalsContact O-N 3.08Å
293G74.4Confident70.8Confident63 Ų6389.7 Ų89.765%0.64955%0.545SS*.THydrogen-bonded Turntrans98.9-7.1-176.500000114.6D282 Y291D282-G293 PolarHBondContact OD1-N 3.04Å; D282-G293 VanDerWaalsContact OD1-N 3.13Å; D282-G293 WeakPolarHBondContact OD2-CA 3.37Å; D282-G293 PolarHBondContact OD2-N 3.08Å; Y291-G293 PolarHBondContact O-N 2.9Å
294M72.7Confident70.1Confident77 Ų7790.9 Ų90.938%0.37954%0.543SS..SBendtrans-91.9148.7174.5-60.8-175.8100.600111.1R285 Y291 I303 L305R285-M294 PolarHBondContact NH1-O 2.81Å; Y291-M294 HydrophobicContact CD1-SD 4.15Å; Y291-M294 PolarHBondContact O-N 3.16Å; Y291-M294 VanDerWaalsContact O-N 3.16Å; M294-I303 HydrophobicContact CE-CG2 4.02Å; M294-I303 HydrophobicContact SD-CG2 4.09Å; M294-L305 HydrophobicContact SD-CD2 3.94Å
295P73.5Confident69.5Low114 Ų11488.3 Ų88.374%0.7453%0.534SS*.PPolyproline II helixtrans-60.8165.5179.123.9-32.8000113.1R285R285-P295 PolarHBondContact NH2-O 2.73Å; R285-P295 VanDerWaalsContact NH2-O 3.09Å
296A74Confident68.8Low69 Ų6994.2 Ų94.257%0.5757%0.566SS**PPolyproline II helixtrans-60.9140.9175.300000110.8Y279Y279-A296 WeakPolarHBondContact O-CB 3.3Å
297F72.9Confident67.9Low46 Ų4697.1 Ų97.120%0.20258%0.576CS.*  trans-120.4157.3-176.355.5-97.6000111.3Y279 R285 I303Y279-F297 WeakPolarHBondContact CB-O 3.48Å; Y279-F297 PolarHBondContact O-N 3.32Å; Y279-F297 VanDerWaalsContact O-N 3.13Å; R285-F297 VanDerWaalsContact NH2-CE1 3.28Å; F297-I303 HydrophobicContact CB-CD1 3.98Å; F297-I303 HydrophobicContact CD1-CD1 3.4Å; F297-I303 VanDerWaalsContact CD1-CD1 3.4Å; F297-I303 HydrophobicContact CD2-CD1 4.05Å; F297-I303 HydrophobicContact CE1-CD1 3.74Å; F297-I303 HydrophobicContact CE2-CD1 4.35Å; F297-I303 HydrophobicContact CG-CD1 3.57Å; F297-I303 HydrophobicContact CZ-CD1 4.21Å
298K73.8Confident67.3Low164 Ų16499.6 Ų99.671%0.71357%0.574SS**  trans-84.5141.3175.6-68.2-177.7-176.1175.90110.2G300 E301K298-G300 PolarHBondContact O-N 2.8Å; K298-G300 VanDerWaalsContact O-N 3.08Å; K298-E301 PolarHBondContact O-N 3.13Å
299P66.3Low66.7Low100 Ų10099.4 Ų99.465%0.64957%0.569SS**THydrogen-bonded Turntrans-56.4116.3174.6-22.632.2000110.9Y279Y279-P299 HydrophobicContact CD1-CG 4.23Å; Y279-P299 HydrophobicContact CD2-CG 4.13Å; Y279-P299 HydrophobicContact CE1-CG 4.47Å; Y279-P299 HydrophobicContact CE2-CG 4.38Å; Y279-P299 HydrophobicContact CG-CG 4.06Å
300G67.4Low66Low77 Ų77104.9 Ų104.979%0.79460%0.595SS**THydrogen-bonded Turntrans113.9-6.318000000115.8K298K298-G300 PolarHBondContact O-N 2.8Å; K298-G300 VanDerWaalsContact O-N 3.08Å
301E69.1Low64.8Low127 Ų127107.9 Ų107.959%0.59361%0.613SS**  trans-83.1125176.3-163.1169.1-179.700111K298 I303K298-E301 PolarHBondContact O-N 3.13Å; E301-I303 PolarHBondContact O-N 3.21Å
302K59.8Low63.5Low200 Ų200112.6 Ų112.687%0.8764%0.643SS**  trans-80.2103.9176.5-80.5-172.5-179.7-177.70109.6V304K302-V304 PolarHBondContact O-N 3.11Å
303I61.8Low61.7Low48 Ų48116.1 Ų116.125%0.24669%0.685CS.*PPolyproline II helixtrans-81.3117.1173.7-54.2157.1000107.7Y291 M294 F297 E301Y291-I303 HydrophobicContact CD1-CB 4.46Å; Y291-I303 HydrophobicContact CD1-CD1 4.19Å; Y291-I303 HydrophobicContact CD1-CG2 4.06Å; Y291-I303 HydrophobicContact CE1-CB 3.98Å; Y291-I303 HydrophobicContact CE1-CD1 4.24Å; Y291-I303 HydrophobicContact CE1-CG2 3.88Å; M294-I303 HydrophobicContact CE-CG2 4.02Å; M294-I303 HydrophobicContact SD-CG2 4.09Å; F297-I303 HydrophobicContact CB-CD1 3.98Å; F297-I303 HydrophobicContact CD1-CD1 3.4Å; F297-I303 VanDerWaalsContact CD1-CD1 3.4Å; F297-I303 HydrophobicContact CD2-CD1 4.05Å; F297-I303 HydrophobicContact CE1-CD1 3.74Å; F297-I303 HydrophobicContact CE2-CD1 4.35Å; F297-I303 HydrophobicContact CG-CD1 3.57Å; F297-I303 HydrophobicContact CZ-CD1 4.21Å; E301-I303 PolarHBondContact O-N 3.21Å
304V61.2Low61.1Low121 Ų121118.8 Ų118.873%0.73369%0.687SS**PPolyproline II helixtrans-84119.9173.7-177.80000107.5K302K302-V304 PolarHBondContact O-N 3.11Å
305L59.4Low60.4Low57 Ų57121 Ų12130%0.29870%0.703SS.*PPolyproline II helixtrans-93.5133.9172.4-67171.2000108.8P290 Y291 M294P290-L305 HydrophobicContact CB-CD1 3.99Å; Y291-L305 HydrophobicContact CD1-CD1 4.19Å; Y291-L305 HydrophobicContact CD1-CD2 3.74Å; Y291-L305 HydrophobicContact CD1-CG 4.21Å; Y291-L305 HydrophobicContact CE1-CD1 3.51Å; Y291-L305 HydrophobicContact CE1-CD2 3.65Å; Y291-L305 HydrophobicContact CE1-CG 3.59Å; Y291-L305 HydrophobicContact CE2-CD1 4.48Å; M294-L305 HydrophobicContact SD-CD2 3.94Å
306D59.1Low59.7Low139 Ų139121.4 Ų121.474%0.74370%0.701SS**PPolyproline II helixtrans-76133.8170.6-70.7-48.9000110N308D306-N308 PolarHBondContact O-N 3.46Å
307N57.7Low58.9Low156 Ų156124.5 Ų124.583%0.83471%0.709SS**THydrogen-bonded Turntrans-65.315.5-167.9-78.8-38.5000116.8
308N58.1Low58Low158 Ų158129.4 Ų129.485%0.84574%0.741SS**THydrogen-bonded Turntrans-103.86.1-172.5-145.241.5000114.8D306D306-N308 PolarHBondContact O-N 3.46Å
309T56.7Low56.9Low109 Ų109127.1 Ų127.167%0.66974%0.742SS**  trans-125.222.7-176.556.40000114.3
310L54.5Low56.3Low139 Ų139129 Ų12973%0.72875%0.749SS**  trans-101.584.8167.9-71.8172.3000109.4
311T48.4Very low55.4Low138 Ų138133 Ų13385%0.84775%0.746SS**  trans-92.9111.1160470000108.1A313T311-A313 PolarHBondContact O-N 3.01Å
312D39.8Very low54.3Low171 Ų171133.5 Ų133.591%0.91476%0.758SS**  trans-72.4114.5176.3-149.6-22.4000109.1
313A35Very low53.8Low166 Ų166127.5 Ų127.5100%1.37275%0.748SS**  trans-161.50166.200000110.7T311T311-A313 PolarHBondContact O-N 3.01Å

Retrieved 313 of 313 residues in 387.8 ms (Link to these results)

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