A0A3B3UJC5_9TELE Loading...

Glucosamine 6-phosphate N-acetyltransferase

AlphaFold DB , UniProt , Accession A0A3B3UJC5, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 184 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
1M68.3Low94.1Very high132 Ų13275.2 Ų75.265%0.6540%0.397SS*.  0131.70-179.9165.953.300107.2V72M1-V72 HydrophobicContact CE-CB 3.29Å; M1-V72 HydrophobicContact CE-CG1 3.38Å; M1-V72 HydrophobicContact CE-CG2 3.66Å; M1-V72 HydrophobicContact SD-CB 4.08Å; M1-V72 HydrophobicContact SD-CG1 3.42Å; M1-V72 WeakPolarHBondContact SD-CG1 3.33Å
2L86.5Confident94.4Very high162 Ų16271.3 Ų71.385%0.84838%0.381SS*.  trans-81.3128.8178.7-69167.3000108.7
3L94.3Very high94.7Very high42 Ų4268.5 Ų68.522%0.2237%0.365CS..  trans-77.8138.3167.6-57.5176.1000107.8F49 V72L3-F49 HydrophobicContact CD1-CB 3.91Å; L3-F49 HydrophobicContact CD1-CD1 4.17Å; L3-F49 HydrophobicContact CD1-CG 4.38Å; L3-V72 HydrophobicContact CD2-CG2 3.39Å
4D96.5Very high94.9Very high74 Ų7463.9 Ų63.940%0.39634%0.341SS..  trans-136.7169.2-17468.149.8000112.3T6 T46 A47D4-T6 VanDerWaalsContact C-N 3.25Å; D4-T6 VanDerWaalsContact CG-OG1 3.3Å; D4-T6 PolarHBondContact O-N 3.29Å; D4-T6 WeakPolarHBondContact OD1-CA 3.23Å; D4-T6 WeakPolarHBondContact OD1-CB 3.47Å; D4-T6 PolarHBondContact OD1-N 3.3Å; D4-T6 PolarHBondContact OD1-OG1 3.05Å; D4-T46 PolarHBondContact N-OG1 3.4Å; D4-T46 PolarHBondContact O-N 2.83Å; D4-T46 PolarHBondContact O-OG1 3.12Å; D4-T46 VanDerWaalsContact O-OG1 3.09Å; D4-A47 PolarHBondContact O-N 3.34Å
5E97.6Very high95Very high145 Ų14569.5 Ų69.568%0.67836%0.361SS*.  trans-8712.2-177.5-58.4-166.4141.900113.3P7 A47E5-P7 WeakPolarHBondContact O-CD 3.38Å; E5-A47 HydrophobicContact CG-CB 4.36Å
6T98.3Very high95Very high66 Ų6672.3 Ų72.341%0.40537%0.372SS..  trans-65.6120.7178.8-46.40000109.4D4 C45D4-T6 VanDerWaalsContact C-N 3.25Å; D4-T6 VanDerWaalsContact CG-OG1 3.3Å; D4-T6 PolarHBondContact O-N 3.29Å; D4-T6 WeakPolarHBondContact OD1-CA 3.23Å; D4-T6 WeakPolarHBondContact OD1-CB 3.47Å; D4-T6 PolarHBondContact OD1-N 3.3Å; D4-T6 PolarHBondContact OD1-OG1 3.05Å; T6-C45 WeakPolarHBondContact O-CB 3.41Å
7P98.6Very high95.1Very high40 Ų4069.1 Ų69.126%0.2636%0.355SS..BIsolated β-bridgetrans-72.1153.5-17429.9-36.6000111.6E5 F9 P11 P43 K79E5-P7 WeakPolarHBondContact O-CD 3.38Å; P7-F9 VanDerWaalsContact C-N 3.29Å; P7-F9 WeakPolarHBondContact CB-O 3.41Å; P7-F9 PolarHBondContact O-N 3.3Å; P7-P11 HydrophobicContact CB-CG 4.03Å; P7-P11 HydrophobicContact CG-CG 3.87Å; P7-P43 HydrophobicContact CB-CB 3.8Å; P7-P43 HydrophobicContact CB-CG 4.04Å; P7-K79 WeakPolarHBondContact O-CE 3.42Å; P7-K79 PolarHBondContact O-NZ 3.26Å
8L98.8Very high95.1Very high5 Ų570.9 Ų70.93%0.02637%0.366CS..SBendtrans-62.4-37.8178.8-176.169.3000112L44 F75 M78 K79 V86L8-L44 WeakPolarHBondContact CB-O 3.44Å; L8-L44 PolarHBondContact N-O 2.76Å; L8-F75 HydrophobicContact CB-CE2 3.77Å; L8-F75 HydrophobicContact CB-CZ 3.86Å; L8-F75 HydrophobicContact CD1-CD1 4.31Å; L8-F75 HydrophobicContact CD1-CD2 3.85Å; L8-F75 HydrophobicContact CD1-CE1 4.18Å; L8-F75 HydrophobicContact CD1-CE2 3.7Å; L8-F75 HydrophobicContact CD1-CG 4.16Å; L8-F75 HydrophobicContact CD1-CZ 3.88Å; L8-F75 HydrophobicContact CG-CE2 4.31Å; L8-M78 HydrophobicContact CD1-CB 3.99Å; L8-K79 HydrophobicContact CD1-CB 3.88Å; L8-K79 WeakPolarHBondContact O-CG 3.46Å; L8-V86 HydrophobicContact CD2-CB 3.73Å; L8-V86 HydrophobicContact CD2-CG2 3.63Å
9F98.8Very high95.2Very high23 Ų2369.7 Ų69.710%0.10136%0.356CS..SBendtrans-142.7172.5177.366.1-90.8000110P7 P11 L13 L14 P43 Y85 V87P7-F9 VanDerWaalsContact C-N 3.29Å; P7-F9 WeakPolarHBondContact CB-O 3.41Å; P7-F9 PolarHBondContact O-N 3.3Å; F9-P11 VanDerWaalsContact O-CD 3.25Å; F9-P11 WeakPolarHBondContact O-CD 3.45Å; F9-L13 HydrophobicContact CD2-CD1 4.13Å; F9-L13 HydrophobicContact CE2-CB 4.41Å; F9-L14 HydrophobicContact CE2-CD1 4.19Å; F9-L14 HydrophobicContact CE2-CD2 4.08Å; F9-L14 HydrophobicContact CE2-CG 3.93Å; F9-L14 HydrophobicContact CZ-CD1 3.92Å; F9-L14 HydrophobicContact CZ-CD2 3.99Å; F9-L14 HydrophobicContact CZ-CG 4.05Å; F9-P43 HydrophobicContact CD1-CB 3.76Å; F9-P43 HydrophobicContact CD1-CG 4.11Å; F9-P43 HydrophobicContact CD2-CG 4.06Å; F9-P43 HydrophobicContact CE1-CB 3.56Å; F9-P43 HydrophobicContact CE1-CG 3.81Å; F9-P43 HydrophobicContact CE2-CB 4.43Å; F9-P43 HydrophobicContact CE2-CG 3.77Å; F9-P43 HydrophobicContact CG-CB 4.28Å; F9-P43 HydrophobicContact CG-CG 4.24Å; F9-P43 HydrophobicContact CZ-CB 3.94Å; F9-P43 HydrophobicContact CZ-CG 3.64Å; F9-P43 WeakPolarHBondContact O-CG 3.28Å; F9-Y85 HydrophobicContact CB-CD1 4.2Å; F9-Y85 HydrophobicContact CB-CE1 4.33Å; F9-Y85 AromaticContact CD1-CD1 3.89Å; F9-Y85 HydrophobicContact CD1-CD1 3.89Å; F9-Y85 HydrophobicContact CD1-CG 4.4Å; F9-Y85 AromaticContact CD2-CD1 3.69Å; F9-Y85 HydrophobicContact CD2-CD1 3.69Å; F9-Y85 HydrophobicContact CD2-CE1 4.13Å; F9-Y85 HydrophobicContact CE1-CD1 4.12Å; F9-Y85 HydrophobicContact CE1-CG 4.5Å; F9-Y85 AromaticContact CE2-CD1 3.92Å; F9-Y85 HydrophobicContact CE2-CD1 3.92Å; F9-Y85 AromaticContact CG-CD1 3.66Å; F9-Y85 HydrophobicContact CG-CD1 3.66Å; F9-Y85 HydrophobicContact CG-CE1 4.19Å; F9-Y85 HydrophobicContact CZ-CD1 4.12Å; F9-V87 HydrophobicContact CE1-CG2 4.11Å; F9-V87 HydrophobicContact CZ-CG2 3.82Å
10D98.5Very high95Very high95 Ų9574 Ų7451%0.50838%0.38SS..  trans-63.1116.4-179.4-175.9-2.6000112S12 L13D10-S12 PolarHBondContact O-N 3.33Å; D10-S12 VanDerWaalsContact O-N 3.17Å; D10-S12 WeakPolarHBondContact OD1-CB 3.34Å; D10-S12 PolarHBondContact OD1-N 2.78Å; D10-S12 PolarHBondContact OD1-OG 3.39Å; D10-S12 VanDerWaalsContact OD1-OG 3.06Å; D10-S12 PolarHBondContact OD2-OG 2.99Å; D10-L13 HydrophobicContact CB-CG 4.49Å; D10-L13 WeakPolarHBondContact O-CB 3.29Å; D10-L13 PolarHBondContact O-N 3.29Å
11P98.4Very high94.8Very high43 Ų4373.4 Ų73.428%0.27938%0.383SS..THydrogen-bonded Turntrans-61.3-21.4178.7-20.431.8000114.4P7 F9 L13 L14 P43P7-P11 HydrophobicContact CB-CG 4.03Å; P7-P11 HydrophobicContact CG-CG 3.87Å; F9-P11 VanDerWaalsContact O-CD 3.25Å; F9-P11 WeakPolarHBondContact O-CD 3.45Å; P11-L13 PolarHBondContact O-N 3.21Å; P11-L14 PolarHBondContact O-N 3.31Å; P11-L14 VanDerWaalsContact O-N 3.16Å; P11-P43 HydrophobicContact CB-CG 4.14Å; P11-P43 HydrophobicContact CG-CG 3.99Å
12S98Very high95.9Very high29 Ų2968.6 Ų68.620%0.20336%0.36CS..Hα-helixtrans-56.7-33.5177.472.70000112D10 L14 K15 E16D10-S12 PolarHBondContact O-N 3.33Å; D10-S12 VanDerWaalsContact O-N 3.17Å; D10-S12 WeakPolarHBondContact OD1-CB 3.34Å; D10-S12 PolarHBondContact OD1-N 2.78Å; D10-S12 PolarHBondContact OD1-OG 3.39Å; D10-S12 VanDerWaalsContact OD1-OG 3.06Å; D10-S12 PolarHBondContact OD2-OG 2.99Å; S12-L14 PolarHBondContact O-N 3.49Å; S12-L14 VanDerWaalsContact O-N 3.11Å; S12-K15 PolarHBondContact O-N 2.87Å; S12-E16 WeakPolarHBondContact O-CB 3.33Å; S12-E16 WeakPolarHBondContact O-CG 3.38Å; S12-E16 PolarHBondContact O-N 3.35Å
13L98.3Very high95.9Very high34 Ų3465.5 Ų65.518%0.17836%0.357CS..Hα-helixtrans-59.3-27.6-179.8-68.6178.1000113.4F9 D10 P11 L17 Y85 L144F9-L13 HydrophobicContact CD2-CD1 4.13Å; F9-L13 HydrophobicContact CE2-CB 4.41Å; D10-L13 HydrophobicContact CB-CG 4.49Å; D10-L13 WeakPolarHBondContact O-CB 3.29Å; D10-L13 PolarHBondContact O-N 3.29Å; P11-L13 PolarHBondContact O-N 3.21Å; L13-L17 WeakPolarHBondContact O-CD2 3.36Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-Y85 HydrophobicContact CD1-CE1 3.81Å; L13-L144 HydrophobicContact CB-CD1 4.01Å
14L98.2Very high95.9Very high5 Ų564.1 Ų64.13%0.02635%0.351CS..Hα-helixtrans-83.2-33.4176.3-56178000111.7F9 P11 S12 P32 L41 P43 V87 T140 L144F9-L14 HydrophobicContact CE2-CD1 4.19Å; F9-L14 HydrophobicContact CE2-CD2 4.08Å; F9-L14 HydrophobicContact CE2-CG 3.93Å; F9-L14 HydrophobicContact CZ-CD1 3.92Å; F9-L14 HydrophobicContact CZ-CD2 3.99Å; F9-L14 HydrophobicContact CZ-CG 4.05Å; P11-L14 PolarHBondContact O-N 3.31Å; P11-L14 VanDerWaalsContact O-N 3.16Å; S12-L14 PolarHBondContact O-N 3.49Å; S12-L14 VanDerWaalsContact O-N 3.11Å; L14-P32 WeakPolarHBondContact O-CB 3.49Å; L14-L41 HydrophobicContact CB-CD2 4.23Å; L14-L41 HydrophobicContact CD1-CD2 3.68Å; L14-L41 HydrophobicContact CG-CD2 4.36Å; L14-P43 HydrophobicContact CD1-CG 4.28Å; L14-V87 HydrophobicContact CD1-CG1 4.31Å; L14-V87 HydrophobicContact CD1-CG2 4.32Å; L14-V87 HydrophobicContact CD2-CG2 4.11Å; L14-T140 HydrophobicContact CD2-CG2 3.72Å; L14-L144 HydrophobicContact CD2-CD2 4.15Å
15K95.4Very high95.8Very high147 Ų14765.4 Ų65.464%0.63937%0.365SS*.Hα-helixtrans-76.7-32.2-178.5-61-177.9-179.2179.70112.4S12 L17 T33S12-K15 PolarHBondContact O-N 2.87Å; K15-L17 VanDerWaalsContact C-N 3.32Å; K15-L17 PolarHBondContact O-N 2.89Å; K15-T33 HydrophobicContact CB-CG2 4.17Å; K15-T33 HydrophobicContact CG-CG2 4.2Å
16E95.6Very high95.7Very high115 Ų11559.8 Ų59.854%0.53734%0.339SS..THydrogen-bonded Turntrans-93.219.3-177.7-61.3175.2-176.700113.7S12 K147S12-E16 WeakPolarHBondContact O-CB 3.33Å; S12-E16 WeakPolarHBondContact O-CG 3.38Å; S12-E16 PolarHBondContact O-N 3.35Å; E16-K147 PolarHBondContact O-NZ 2.8Å; E16-K147 IonicContact OE2-NZ 3.23Å; E16-K147 PolarHBondContact OE2-NZ 3.1Å
17L96.8Very high95.6Very high17 Ų1761.3 Ų61.39%0.08935%0.352CS..SBendtrans-71.9137.8172.7-66.4177.9000109.4L13 K15 W19 P32 T140 L143 L144 K147L13-L17 WeakPolarHBondContact O-CD2 3.36Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; K15-L17 VanDerWaalsContact C-N 3.32Å; K15-L17 PolarHBondContact O-N 2.89Å; L17-W19 PolarHBondContact O-N 2.89Å; L17-P32 HydrophobicContact CD1-CG 4.24Å; L17-T140 HydrophobicContact CD1-CG2 3.68Å; L17-L143 HydrophobicContact CD1-CB 4.41Å; L17-L143 HydrophobicContact CD2-CB 4.23Å; L17-L144 HydrophobicContact CD2-CB 4.07Å; L17-L144 HydrophobicContact CD2-CD1 4.26Å; L17-K147 HydrophobicContact CD2-CD 4.13Å
18D95.3Very high95.4Very high103 Ų10364 Ų6455%0.55137%0.369SS*.  trans-71.479.4167.6178.713.3000109.6N20 S21D18-N20 PolarHBondContact O-N 3.17Å; D18-N20 PolarHBondContact OD1-N 3.32Å; D18-S21 WeakPolarHBondContact O-CB 3.21Å; D18-S21 PolarHBondContact O-N 3.19Å; D18-S21 PolarHBondContact O-OG 2.87Å
19W96.1Very high95.3Very high47 Ų4768.9 Ų68.918%0.17840%0.402CS..G310 helixtrans-67.4-19.9-176.9-163.8-114.4000112.8L17 S21 N22 F26 I30 P32 L136 S139 L143L17-W19 PolarHBondContact O-N 2.89Å; W19-S21 PolarHBondContact O-N 2.97Å; W19-N22 HydrophobicContact CD2-CB 4.37Å; W19-N22 HydrophobicContact CE3-CB 4.5Å; W19-N22 WeakPolarHBondContact O-CB 3.41Å; W19-N22 PolarHBondContact O-N 2.93Å; W19-N22 VanDerWaalsContact O-N 3.12Å; W19-F26 HydrophobicContact CH2-CE2 4.34Å; W19-F26 HydrophobicContact CH2-CZ 4.35Å; W19-F26 HydrophobicContact CZ2-CD2 4.37Å; W19-F26 AromaticContact CZ2-CE2 3.67Å; W19-F26 HydrophobicContact CZ2-CE2 3.67Å; W19-F26 AromaticContact CZ2-CZ 3.97Å; W19-F26 HydrophobicContact CZ2-CZ 3.97Å; W19-I30 PolarHBondContact NE1-O 2.95Å; W19-P32 VanDerWaalsContact CD2-CD 3.45Å; W19-P32 HydrophobicContact CD2-CG 4.19Å; W19-P32 VanDerWaalsContact CE3-CD 3.47Å; W19-P32 HydrophobicContact CE3-CG 3.68Å; W19-P32 HydrophobicContact CH2-CG 4.21Å; W19-P32 HydrophobicContact CZ3-CG 3.7Å; W19-L136 HydrophobicContact CH2-CD1 3.84Å; W19-L136 HydrophobicContact CZ2-CD1 3.92Å; W19-S139 VanDerWaalsContact CH2-CB 3.47Å; W19-L143 HydrophobicContact CE3-CD1 3.63Å; W19-L143 HydrophobicContact CZ3-CD1 3.99Å
20N92.6Very high95.2Very high156 Ų15668.6 Ų68.683%0.83440%0.401SS*.G310 helixtrans-68.8-23176-65.6-33.2000112D18 N22D18-N20 PolarHBondContact O-N 3.17Å; D18-N20 PolarHBondContact OD1-N 3.32Å; N20-N22 PolarHBondContact O-N 3.18Å
21S90.5Very high95.2Very high61 Ų6165 Ų6543%0.42738%0.383SS..G310 helixtrans-76.6-4.3173.674.80000114.1D18 W19 A23 L143D18-S21 WeakPolarHBondContact O-CB 3.21Å; D18-S21 PolarHBondContact O-N 3.19Å; D18-S21 PolarHBondContact O-OG 2.87Å; W19-S21 PolarHBondContact O-N 2.97Å; S21-A23 PolarHBondContact O-N 2.97Å; S21-L143 VanDerWaalsContact OG-CD2 3.25Å; S21-L143 WeakPolarHBondContact OG-CD2 3.35Å
22N90.2Very high95.1Very high32 Ų3263.5 Ų63.517%0.17137%0.373CS..  trans-72.2123.2178.4170.852.5000111.3W19 N20 V24 F26 L143W19-N22 HydrophobicContact CD2-CB 4.37Å; W19-N22 HydrophobicContact CE3-CB 4.5Å; W19-N22 WeakPolarHBondContact O-CB 3.41Å; W19-N22 PolarHBondContact O-N 2.93Å; W19-N22 VanDerWaalsContact O-N 3.12Å; N20-N22 PolarHBondContact O-N 3.18Å; N22-V24 VanDerWaalsContact C-N 3.34Å; N22-V24 PolarHBondContact ND2-N 3.46Å; N22-V24 PolarHBondContact ND2-O 3.2Å; N22-V24 PolarHBondContact OD1-N 3.13Å; N22-F26 WeakPolarHBondContact ND2-CE2 3.03Å; N22-L143 HydrophobicContact CB-CD1 4.18Å
23A87.4Confident95.1Very high96 Ų9666.7 Ų66.779%0.79339%0.392SS*.  trans-81.6-10.817900000114S21S21-A23 PolarHBondContact O-N 2.97Å
24V94.7Very high95Very high14 Ų1469.5 Ų69.59%0.08541%0.407CS..SBendtrans-86.1128-175.2-1790000111.6N22 F26 K135 K167 F168N22-V24 VanDerWaalsContact C-N 3.34Å; N22-V24 PolarHBondContact ND2-N 3.46Å; N22-V24 PolarHBondContact ND2-O 3.2Å; N22-V24 PolarHBondContact OD1-N 3.13Å; V24-F26 HydrophobicContact CB-CE2 4.11Å; V24-F26 HydrophobicContact CG1-CE2 4.07Å; V24-F26 HydrophobicContact CG1-CZ 4.28Å; V24-F26 VanDerWaalsContact O-CD2 3.23Å; V24-F26 WeakPolarHBondContact O-CD2 3.24Å; V24-F26 WeakPolarHBondContact O-CE2 3.4Å; V24-K135 HydrophobicContact CG1-CB 4.4Å; V24-K135 HydrophobicContact CG1-CD 3.91Å; V24-K135 HydrophobicContact CG1-CG 4.5Å; V24-K167 HydrophobicContact CG2-CB 4.18Å; V24-K167 WeakPolarHBondContact CG2-O 3.45Å; V24-F168 HydrophobicContact CB-CD1 4.42Å; V24-F168 HydrophobicContact CB-CE1 4.37Å; V24-F168 HydrophobicContact CG1-CE1 4.21Å; V24-F168 HydrophobicContact CG2-CD1 3.4Å; V24-F168 HydrophobicContact CG2-CE1 3.7Å; V24-F168 HydrophobicContact CG2-CG 4.17Å
25S93.7Very high94.9Very high101 Ų10169.7 Ų69.771%0.70641%0.408SS*.  trans-74.9138173.859.90000112.5K135S25-K135 PolarHBondContact O-NZ 3.3Å
26F96.6Very high94.9Very high27 Ų2763.7 Ų63.712%0.11839%0.388CS..  trans-120.8139.2173.9-69-89.5000109.3W19 N22 V24 P28 I30 Q132 K135 L136W19-F26 HydrophobicContact CH2-CE2 4.34Å; W19-F26 HydrophobicContact CH2-CZ 4.35Å; W19-F26 HydrophobicContact CZ2-CD2 4.37Å; W19-F26 AromaticContact CZ2-CE2 3.67Å; W19-F26 HydrophobicContact CZ2-CE2 3.67Å; W19-F26 AromaticContact CZ2-CZ 3.97Å; W19-F26 HydrophobicContact CZ2-CZ 3.97Å; N22-F26 WeakPolarHBondContact ND2-CE2 3.03Å; V24-F26 HydrophobicContact CB-CE2 4.11Å; V24-F26 HydrophobicContact CG1-CE2 4.07Å; V24-F26 HydrophobicContact CG1-CZ 4.28Å; V24-F26 VanDerWaalsContact O-CD2 3.23Å; V24-F26 WeakPolarHBondContact O-CD2 3.24Å; V24-F26 WeakPolarHBondContact O-CE2 3.4Å; F26-P28 CarbonylContact C-O 3.31Å; F26-P28 VanDerWaalsContact C-O 3.31Å; F26-I30 HydrophobicContact CB-CG1 4.13Å; F26-I30 HydrophobicContact CD1-CD1 3.71Å; F26-I30 HydrophobicContact CD1-CG1 3.31Å; F26-I30 HydrophobicContact CE1-CD1 3.93Å; F26-I30 HydrophobicContact CE1-CG1 3.84Å; F26-I30 HydrophobicContact CG-CG1 3.89Å; F26-Q132 HydrophobicContact CD1-CB 4.12Å; F26-Q132 HydrophobicContact CE1-CB 4.4Å; F26-K135 HydrophobicContact CD1-CB 4.49Å; F26-K135 HydrophobicContact CE1-CB 3.53Å; F26-K135 HydrophobicContact CZ-CB 3.79Å; F26-L136 HydrophobicContact CE1-CB 4.23Å
27S95.1Very high94.9Very high97 Ų9765.3 Ų65.368%0.67840%0.401SS*.SBendtrans-152.6107.5-178.5-174.30000107.8Q132S27-Q132 VanDerWaalsContact O-CD 3.27Å; S27-Q132 PolarHBondContact O-NE2 3.41Å; S27-Q132 PolarHBondContact O-OE1 2.82Å
28P95.3Very high94.8Very high96 Ų9668.3 Ų68.362%0.62342%0.417SS*.SBendcis-61.1159.6-529.6-36.1000112.8F26 I30 Q132F26-P28 CarbonylContact C-O 3.31Å; F26-P28 VanDerWaalsContact C-O 3.31Å; P28-I30 PolarHBondContact O-N 3.39Å; P28-Q132 PolarHBondContact O-OE1 3.48Å
29P95.7Very high95Very high109 Ų10964.3 Ų64.371%0.70840%0.395SS*.  trans-60.1126175.9-2233.4000111.3
30I97.1Very high95.1Very high16 Ų1665.9 Ų65.98%0.08241%0.405CS..  trans-129.9158172.761.5173.3000110W19 F26 P28 N34 Q132 L136W19-I30 PolarHBondContact NE1-O 2.95Å; F26-I30 HydrophobicContact CB-CG1 4.13Å; F26-I30 HydrophobicContact CD1-CD1 3.71Å; F26-I30 HydrophobicContact CD1-CG1 3.31Å; F26-I30 HydrophobicContact CE1-CD1 3.93Å; F26-I30 HydrophobicContact CE1-CG1 3.84Å; F26-I30 HydrophobicContact CG-CG1 3.89Å; P28-I30 PolarHBondContact O-N 3.39Å; I30-N34 WeakPolarHBondContact CA-O 3.35Å; I30-N34 WeakPolarHBondContact CB-O 3.23Å; I30-Q132 HydrophobicContact CD1-CB 3.85Å; I30-L136 HydrophobicContact CD1-CB 4.03Å; I30-L136 HydrophobicContact CD1-CD2 4.24Å
31S97.4Very high95.4Very high19 Ų1959.1 Ų59.113%0.13337%0.368CS..  trans-147.3170.7-178.8730000110.9T33 N34 P35S31-T33 PolarHBondContact O-N 3.41Å; S31-T33 PolarHBondContact OG-N 3.18Å; S31-T33 PolarHBondContact OG-OG1 3.46Å; S31-T33 VanDerWaalsContact OG-OG1 3.06Å; S31-N34 PolarHBondContact N-O 2.82Å; S31-N34 CarbonylContact O-C 3.57Å; S31-N34 PolarHBondContact O-N 3.28Å; S31-N34 VanDerWaalsContact O-N 3.14Å; S31-N34 PolarHBondContact OG-N 2.83Å; S31-P35 VanDerWaalsContact O-CA 3.29Å; S31-P35 WeakPolarHBondContact O-CA 3.46Å; S31-P35 VanDerWaalsContact O-N 3.08Å
32P97.5Very high95.8Very high12 Ų1257.5 Ų57.58%0.07835%0.353CS..SBendtrans-55.4-32.4172.8-28.336.1000113.6L14 L17 W19 L41 T140L14-P32 WeakPolarHBondContact O-CB 3.49Å; L17-P32 HydrophobicContact CD1-CG 4.24Å; W19-P32 VanDerWaalsContact CD2-CD 3.45Å; W19-P32 HydrophobicContact CD2-CG 4.19Å; W19-P32 VanDerWaalsContact CE3-CD 3.47Å; W19-P32 HydrophobicContact CE3-CG 3.68Å; W19-P32 HydrophobicContact CH2-CG 4.21Å; W19-P32 HydrophobicContact CZ3-CG 3.7Å; P32-L41 HydrophobicContact CB-CD2 4.16Å; P32-T140 HydrophobicContact CG-CG2 4.42Å
33T97.1Very high96.2Very high96 Ų9656.2 Ų56.259%0.58935%0.346SS*.SBendtrans-88.8-17.6179.251.80000113.8K15 S31K15-T33 HydrophobicContact CB-CG2 4.17Å; K15-T33 HydrophobicContact CG-CG2 4.2Å; S31-T33 PolarHBondContact O-N 3.41Å; S31-T33 PolarHBondContact OG-N 3.18Å; S31-T33 PolarHBondContact OG-OG1 3.46Å; S31-T33 VanDerWaalsContact OG-OG1 3.06Å
34N97Very high96.7Very high94 Ų9451.8 Ų51.850%0.50331%0.309SS..  trans-139.474.6175.6-171.138.2000109.8I30 S31 G36I30-N34 WeakPolarHBondContact CA-O 3.35Å; I30-N34 WeakPolarHBondContact CB-O 3.23Å; S31-N34 PolarHBondContact N-O 2.82Å; S31-N34 CarbonylContact O-C 3.57Å; S31-N34 PolarHBondContact O-N 3.28Å; S31-N34 VanDerWaalsContact O-N 3.14Å; S31-N34 PolarHBondContact OG-N 2.83Å; N34-G36 PolarHBondContact O-N 3.01Å
35P96.7Very high96.9Very high8 Ų851.3 Ų51.35%0.05231%0.307CS..  trans-74.7-11-171.530.8-37.7000113.9S31 L39 L41 L136S31-P35 VanDerWaalsContact O-CA 3.29Å; S31-P35 WeakPolarHBondContact O-CA 3.46Å; S31-P35 VanDerWaalsContact O-N 3.08Å; P35-L39 HydrophobicContact CB-CB 4.26Å; P35-L39 HydrophobicContact CG-CB 3.86Å; P35-L39 VanDerWaalsContact CG-O 3.28Å; P35-L39 WeakPolarHBondContact CG-O 3.28Å; P35-L41 HydrophobicContact CB-CB 4.18Å; P35-L41 HydrophobicContact CG-CB 4.4Å; P35-L136 HydrophobicContact CB-CD2 3.53Å
36G95.3Very high97.2Very high21 Ų2146.8 Ų46.822%0.21628%0.275CS..SBendtrans138.6165.5-173.700000110.4N34 D38 L39N34-G36 PolarHBondContact O-N 3.01Å; G36-D38 PolarHBondContact O-N 2.69Å; G36-L39 PolarHBondContact O-N 3.21Å
37D94.1Very high97.2Very high150 Ų15046.3 Ų46.380%0.80228%0.276SS*.THydrogen-bonded Turntrans-59.3131.5179.8-61.8-27.7000110.7L39D37-L39 WeakPolarHBondContact O-CG 3.43Å; D37-L39 PolarHBondContact O-N 3Å
38D96.3Very high97.4Very high80 Ų8041.7 Ų41.743%0.42824%0.243SC..THydrogen-bonded Turntrans56.114.1-178.2-56.3-44.6000116.1G36 K92 N93G36-D38 PolarHBondContact O-N 2.69Å; D38-K92 WeakPolarHBondContact O-CB 3.26Å; D38-K92 PolarHBondContact O-N 2.9Å; D38-N93 WeakPolarHBondContact CB-ND2 3.33Å; D38-N93 PolarHBondContact OD2-ND2 3.42Å
39L97.9Very high97.6Very high18 Ų1839 Ų399%0.09422%0.222CC..EExtended strand (participates in β ladder)trans-98.4150.7175.2-58.4-171.6000111.5P35 G36 D37 V89 E90 D91 I98 L133P35-L39 HydrophobicContact CB-CB 4.26Å; P35-L39 HydrophobicContact CG-CB 3.86Å; P35-L39 VanDerWaalsContact CG-O 3.28Å; P35-L39 WeakPolarHBondContact CG-O 3.28Å; G36-L39 PolarHBondContact O-N 3.21Å; D37-L39 WeakPolarHBondContact O-CG 3.43Å; D37-L39 PolarHBondContact O-N 3Å; L39-V89 HydrophobicContact CB-CG1 4.19Å; L39-V89 HydrophobicContact CD1-CG1 4.26Å; L39-E90 CarbonylContact C-O 3.59Å; L39-E90 WeakPolarHBondContact CA-O 3.34Å; L39-D91 HydrophobicContact CD2-CB 4.01Å; L39-I98 HydrophobicContact CD1-CD1 4.27Å; L39-I98 HydrophobicContact CD2-CD1 3.58Å; L39-L133 HydrophobicContact CD1-CD1 4.42Å; L39-L133 HydrophobicContact CD1-CD2 3.73Å
40E98.5Very high97.7Very high81 Ų8139.7 Ų39.738%0.37922%0.219SC..EExtended strand (participates in β ladder)trans-132.3126.9170.1-176.5173.7-154.800110.4R42 V89 E90 K92E40-R42 HydrophobicContact CG-CB 4.18Å; E40-R42 HydrophobicContact CG-CG 4.11Å; E40-R42 IonicContact OE2-NE 3.82Å; E40-V89 CarbonylContact O-C 3.59Å; E40-V89 VanDerWaalsContact O-CA 3.26Å; E40-V89 WeakPolarHBondContact O-CA 3.26Å; E40-E90 PolarHBondContact N-O 2.82Å; E40-E90 PolarHBondContact O-N 3.38Å; E40-K92 HydrophobicContact CB-CD 4.14Å; E40-K92 HydrophobicContact CB-CG 4.25Å
41L98.8Very high97.7Very high13 Ų1340.8 Ų40.87%0.06822%0.224CC..EExtended strand (participates in β ladder)trans-98118.9169.7-179.3147.1000108.4L14 P32 P35 V87 V88 V89 L136 L137 T140L14-L41 HydrophobicContact CB-CD2 4.23Å; L14-L41 HydrophobicContact CD1-CD2 3.68Å; L14-L41 HydrophobicContact CG-CD2 4.36Å; P32-L41 HydrophobicContact CB-CD2 4.16Å; P35-L41 HydrophobicContact CB-CB 4.18Å; P35-L41 HydrophobicContact CG-CB 4.4Å; L41-V87 HydrophobicContact CD1-CG1 4.21Å; L41-V87 HydrophobicContact CD2-CG1 3.85Å; L41-V87 HydrophobicContact CG-CG1 3.77Å; L41-V88 WeakPolarHBondContact CA-O 3.3Å; L41-V89 HydrophobicContact CB-CG2 4.47Å; L41-V89 HydrophobicContact CD1-CG2 4.3Å; L41-L136 HydrophobicContact CD1-CD1 4.31Å; L41-L136 HydrophobicContact CD1-CD2 3.64Å; L41-L136 HydrophobicContact CD1-CG 3.64Å; L41-L137 HydrophobicContact CD1-CD2 4.32Å; L41-T140 HydrophobicContact CD2-CG2 4.25Å
42R98.8Very high97.7Very high28 Ų2840.5 Ų40.511%0.10622%0.223CC..EExtended strand (participates in β ladder)trans-152.7165.8-173.258.5170.5-178.974.4-1.1112.5E40 D48 V88 E90E40-R42 HydrophobicContact CG-CB 4.18Å; E40-R42 HydrophobicContact CG-CG 4.11Å; E40-R42 IonicContact OE2-NE 3.82Å; R42-D48 IonicContact CZ-OD1 3.25Å; R42-D48 IonicContact CZ-OD2 3.71Å; R42-D48 IonicContact NH1-OD1 3.01Å; R42-D48 PolarHBondContact NH1-OD1 2.85Å; R42-D48 IonicContact NH1-OD2 3.82Å; R42-D48 PolarHBondContact NH1-OD2 3.01Å; R42-D48 IonicContact NH2-OD1 2.64Å; R42-D48 PolarHBondContact NH2-OD1 2.84Å; R42-D48 IonicContact NH2-OD2 2.73Å; R42-V88 HydrophobicContact CG-CG2 4.05Å; R42-V88 PolarHBondContact N-O 3.23Å; R42-V88 WeakPolarHBondContact O-CG2 3.2Å; R42-V88 PolarHBondContact O-N 3.47Å; R42-E90 IonicContact CZ-OE2 3.31Å; R42-E90 VanDerWaalsContact CZ-OE2 3.25Å; R42-E90 IonicContact NE-OE2 3.02Å; R42-E90 PolarHBondContact NE-OE2 2.96Å; R42-E90 IonicContact NH2-OE2 2.87Å; R42-E90 PolarHBondContact NH2-OE2 2.92Å
43P98.9Very high97.8Very high4 Ų440.5 Ų40.53%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-60.1149.3168.1-21.634.3000111.5P7 F9 P11 L14P7-P43 HydrophobicContact CB-CB 3.8Å; P7-P43 HydrophobicContact CB-CG 4.04Å; F9-P43 HydrophobicContact CD1-CB 3.76Å; F9-P43 HydrophobicContact CD1-CG 4.11Å; F9-P43 HydrophobicContact CD2-CG 4.06Å; F9-P43 HydrophobicContact CE1-CB 3.56Å; F9-P43 HydrophobicContact CE1-CG 3.81Å; F9-P43 HydrophobicContact CE2-CB 4.43Å; F9-P43 HydrophobicContact CE2-CG 3.77Å; F9-P43 HydrophobicContact CG-CB 4.28Å; F9-P43 HydrophobicContact CG-CG 4.24Å; F9-P43 HydrophobicContact CZ-CB 3.94Å; F9-P43 HydrophobicContact CZ-CG 3.64Å; F9-P43 WeakPolarHBondContact O-CG 3.28Å; P11-P43 HydrophobicContact CB-CG 4.14Å; P11-P43 HydrophobicContact CG-CG 3.99Å; L14-P43 HydrophobicContact CD1-CG 4.28Å
44L98.9Very high97.8Very high4 Ų437.9 Ų37.92%0.02120%0.203CC..  trans-56142166.5-175.273.3000110.3L8 D48 F53 F71 F75 V86 V88L8-L44 WeakPolarHBondContact CB-O 3.44Å; L8-L44 PolarHBondContact N-O 2.76Å; L44-D48 HydrophobicContact CD1-CB 3.68Å; L44-F53 HydrophobicContact CD1-CD1 4.26Å; L44-F53 HydrophobicContact CD1-CD2 3.64Å; L44-F53 HydrophobicContact CD1-CE1 4.29Å; L44-F53 HydrophobicContact CD1-CE2 3.69Å; L44-F53 HydrophobicContact CD1-CG 3.93Å; L44-F53 HydrophobicContact CD1-CZ 4.01Å; L44-F53 HydrophobicContact CD2-CE1 4.27Å; L44-F53 HydrophobicContact CD2-CE2 4.5Å; L44-F53 HydrophobicContact CD2-CZ 4.07Å; L44-F71 HydrophobicContact CD2-CE2 4.11Å; L44-F71 HydrophobicContact CD2-CZ 4.08Å; L44-F71 HydrophobicContact CG-CZ 4.45Å; L44-F75 HydrophobicContact CB-CE2 4.45Å; L44-F75 HydrophobicContact CD2-CD2 4.01Å; L44-F75 HydrophobicContact CD2-CE2 4.26Å; L44-F75 HydrophobicContact CG-CD2 4.36Å; L44-F75 HydrophobicContact CG-CE2 4.17Å; L44-F75 WeakPolarHBondContact O-CE2 3.48Å; L44-V86 HydrophobicContact CB-CB 3.94Å; L44-V86 HydrophobicContact CB-CG1 3.96Å; L44-V86 HydrophobicContact CD2-CB 4.19Å; L44-V86 HydrophobicContact CD2-CG1 3.97Å; L44-V86 HydrophobicContact CG-CG1 4.44Å; L44-V86 PolarHBondContact N-O 3.31Å; L44-V88 HydrophobicContact CB-CG1 4.37Å; L44-V88 HydrophobicContact CD1-CG1 3.81Å
45C98.8Very high97.8Very high4 Ų439.2 Ų39.23%0.02721%0.206CC..BIsolated β-bridgetrans-125.5171.8166.971.70000110.7T6 A47 D48T6-C45 WeakPolarHBondContact O-CB 3.41Å; C45-A47 VanDerWaalsContact C-N 3.33Å; C45-A47 PolarHBondContact O-N 3.21Å; C45-D48 PolarHBondContact N-OD2 3.23Å; C45-D48 WeakPolarHBondContact O-CB 3.5Å; C45-D48 PolarHBondContact O-N 3.14Å; C45-D48 VanDerWaalsContact SG-CG 3.5Å; C45-D48 PolarHBondContact SG-OD1 2.64Å; C45-D48 PolarHBondContact SG-OD2 2.75Å
46T98.7Very high97.9Very high6 Ų639 Ų394%0.03721%0.205CC..G310 helixtrans-73.8-26.6-17758.50000113D4 D48 F49 F71 V72 F75D4-T46 PolarHBondContact N-OG1 3.4Å; D4-T46 PolarHBondContact O-N 2.83Å; D4-T46 PolarHBondContact O-OG1 3.12Å; D4-T46 VanDerWaalsContact O-OG1 3.09Å; T46-D48 PolarHBondContact O-N 2.91Å; T46-F49 WeakPolarHBondContact O-CB 3.39Å; T46-F49 PolarHBondContact O-N 3.06Å; T46-F71 WeakPolarHBondContact O-CE1 3.28Å; T46-V72 HydrophobicContact CG2-CG1 4.39Å; T46-V72 HydrophobicContact CG2-CG2 3.97Å; T46-F75 HydrophobicContact CG2-CB 4.21Å; T46-F75 HydrophobicContact CG2-CD1 3.47Å; T46-F75 VanDerWaalsContact CG2-CD1 3.47Å; T46-F75 HydrophobicContact CG2-CD2 4.04Å; T46-F75 HydrophobicContact CG2-CE1 3.74Å; T46-F75 HydrophobicContact CG2-CE2 4.26Å; T46-F75 HydrophobicContact CG2-CG 3.64Å; T46-F75 HydrophobicContact CG2-CZ 4.13Å
47A98.4Very high98.1Very high17 Ų1738.9 Ų38.914%0.1420%0.199CC..G310 helixtrans-61.1-23.3172.600000113.1D4 E5 C45 F49 N50D4-A47 PolarHBondContact O-N 3.34Å; E5-A47 HydrophobicContact CG-CB 4.36Å; C45-A47 VanDerWaalsContact C-N 3.33Å; C45-A47 PolarHBondContact O-N 3.21Å; A47-F49 PolarHBondContact O-N 3.35Å; A47-F49 VanDerWaalsContact O-N 3.13Å; A47-N50 PolarHBondContact O-N 3.02Å
48D98.7Very high98.2Very high0 Ų034.3 Ų34.30%018%0.182CC..G310 helixtrans-65.2-16.9-179.6-65.7-28.4000113.9R42 L44 C45 T46 N50 K51 F53 I97R42-D48 IonicContact CZ-OD1 3.25Å; R42-D48 IonicContact CZ-OD2 3.71Å; R42-D48 IonicContact NH1-OD1 3.01Å; R42-D48 PolarHBondContact NH1-OD1 2.85Å; R42-D48 IonicContact NH1-OD2 3.82Å; R42-D48 PolarHBondContact NH1-OD2 3.01Å; R42-D48 IonicContact NH2-OD1 2.64Å; R42-D48 PolarHBondContact NH2-OD1 2.84Å; R42-D48 IonicContact NH2-OD2 2.73Å; L44-D48 HydrophobicContact CD1-CB 3.68Å; C45-D48 PolarHBondContact N-OD2 3.23Å; C45-D48 WeakPolarHBondContact O-CB 3.5Å; C45-D48 PolarHBondContact O-N 3.14Å; C45-D48 VanDerWaalsContact SG-CG 3.5Å; C45-D48 PolarHBondContact SG-OD1 2.64Å; C45-D48 PolarHBondContact SG-OD2 2.75Å; T46-D48 PolarHBondContact O-N 2.91Å; D48-N50 PolarHBondContact O-N 2.86Å; D48-K51 PolarHBondContact O-N 3.06Å; D48-F53 HydrophobicContact CB-CB 4.34Å; D48-F53 VanDerWaalsContact O-CB 3.28Å; D48-F53 WeakPolarHBondContact O-CB 3.37Å; D48-F53 PolarHBondContact O-N 3.2Å; D48-I97 HydrophobicContact CB-CD1 4.42Å; D48-I97 HydrophobicContact CB-CG1 4.21Å
49F98.3Very high98.3Very high39 Ų3933.9 Ų33.917%0.17118%0.178CC..G310 helixtrans-52.7-40.3168.5-173.1-92.8000111.5L3 T46 A47 F54 V66 P68 F71L3-F49 HydrophobicContact CD1-CB 3.91Å; L3-F49 HydrophobicContact CD1-CD1 4.17Å; L3-F49 HydrophobicContact CD1-CG 4.38Å; T46-F49 WeakPolarHBondContact O-CB 3.39Å; T46-F49 PolarHBondContact O-N 3.06Å; A47-F49 PolarHBondContact O-N 3.35Å; A47-F49 VanDerWaalsContact O-N 3.13Å; F49-F54 AromaticContact CD2-CD2 3.99Å; F49-F54 HydrophobicContact CD2-CD2 3.99Å; F49-F54 AromaticContact CD2-CE2 3.82Å; F49-F54 HydrophobicContact CD2-CE2 3.82Å; F49-F54 HydrophobicContact CE2-CD2 4.02Å; F49-F54 AromaticContact CE2-CE2 3.9Å; F49-F54 HydrophobicContact CE2-CE2 3.9Å; F49-V66 HydrophobicContact CE2-CG1 4.48Å; F49-V66 WeakPolarHBondContact CZ-O 3.37Å; F49-P68 HydrophobicContact CD1-CG 4.26Å; F49-P68 HydrophobicContact CE1-CB 4.25Å; F49-P68 HydrophobicContact CE1-CG 3.62Å; F49-P68 HydrophobicContact CZ-CB 4.44Å; F49-P68 HydrophobicContact CZ-CG 3.9Å; F49-F71 HydrophobicContact CB-CD1 3.7Å; F49-F71 HydrophobicContact CB-CE1 3.7Å; F49-F71 HydrophobicContact CD2-CB 3.69Å; F49-F71 AromaticContact CD2-CD1 3.61Å; F49-F71 HydrophobicContact CD2-CD1 3.61Å; F49-F71 HydrophobicContact CD2-CD2 4.44Å; F49-F71 HydrophobicContact CD2-CE1 4.32Å; F49-F71 AromaticContact CD2-CG 3.66Å; F49-F71 HydrophobicContact CD2-CG 3.66Å; F49-F71 HydrophobicContact CE2-CB 3.97Å; F49-F71 HydrophobicContact CE2-CG 4.41Å; F49-F71 HydrophobicContact CG-CD1 4.01Å; F49-F71 HydrophobicContact CG-CE1 4.48Å
50N97.9Very high98.2Very high123 Ų12337.1 Ų37.166%0.65820%0.195SC*.G310 helixtrans-87.4-7.2179-68.9-19.2000113.2A47 D48A47-N50 PolarHBondContact O-N 3.02Å; D48-N50 PolarHBondContact O-N 2.86Å
51K98.3Very high98.1Very high40 Ų4037.5 Ų37.517%0.17420%0.202CC..G310 helixtrans-100.120.1-177.7-59.7-167.2-178.6-175.70113.2D48 E90 G95 Q96 I97D48-K51 PolarHBondContact O-N 3.06Å; K51-E90 WeakPolarHBondContact CD-OE1 3.26Å; K51-E90 WeakPolarHBondContact CE-OE1 3.32Å; K51-E90 IonicContact NZ-OE1 3.55Å; K51-E90 PolarHBondContact NZ-OE1 3.5Å; K51-E90 IonicContact NZ-OE2 3.55Å; K51-E90 PolarHBondContact NZ-OE2 3.43Å; K51-G95 WeakPolarHBondContact CB-O 3.48Å; K51-G95 WeakPolarHBondContact CG-O 3.49Å; K51-Q96 CarbonylContact O-C 3.59Å; K51-Q96 VanDerWaalsContact O-CA 3.3Å; K51-Q96 WeakPolarHBondContact O-CA 3.37Å; K51-I97 HydrophobicContact CB-CG1 4.13Å; K51-I97 PolarHBondContact O-N 2.73Å
52G97.6Very high98Very high12 Ų1244.2 Ų44.212%0.12423%0.231CC..THydrogen-bonded Turntrans90.88.7174.800000115.7F54 Q55 V56G52-F54 PolarHBondContact O-N 3.13Å; G52-Q55 WeakPolarHBondContact O-CB 3.49Å; G52-Q55 PolarHBondContact O-N 3.31Å; G52-Q55 VanDerWaalsContact O-N 3.12Å; G52-Q55 PolarHBondContact O-OE1 3.05Å; G52-V56 PolarHBondContact O-N 3.15Å; G52-V56 VanDerWaalsContact O-N 3.16Å
53F98.6Very high97.9Very high12 Ų1245.2 Ų45.25%0.05324%0.24CC..Hα-helixtrans-56.1-47.6-173.6176-113.4000113.4L44 D48 Q55 V56 L57 F71 V86 V88 I97 T100L44-F53 HydrophobicContact CD1-CD1 4.26Å; L44-F53 HydrophobicContact CD1-CD2 3.64Å; L44-F53 HydrophobicContact CD1-CE1 4.29Å; L44-F53 HydrophobicContact CD1-CE2 3.69Å; L44-F53 HydrophobicContact CD1-CG 3.93Å; L44-F53 HydrophobicContact CD1-CZ 4.01Å; L44-F53 HydrophobicContact CD2-CE1 4.27Å; L44-F53 HydrophobicContact CD2-CE2 4.5Å; L44-F53 HydrophobicContact CD2-CZ 4.07Å; D48-F53 HydrophobicContact CB-CB 4.34Å; D48-F53 VanDerWaalsContact O-CB 3.28Å; D48-F53 WeakPolarHBondContact O-CB 3.37Å; D48-F53 PolarHBondContact O-N 3.2Å; F53-Q55 VanDerWaalsContact C-N 3.34Å; F53-Q55 PolarHBondContact O-N 3.01Å; F53-V56 PolarHBondContact O-N 3.36Å; F53-L57 HydrophobicContact CD1-CD1 4.05Å; F53-L57 HydrophobicContact CE1-CD1 3.43Å; F53-L57 VanDerWaalsContact CE1-CD1 3.43Å; F53-L57 HydrophobicContact CE1-CG 4.44Å; F53-L57 HydrophobicContact CE2-CD1 4.15Å; F53-L57 HydrophobicContact CE2-CG 4.39Å; F53-L57 HydrophobicContact CZ-CD1 3.5Å; F53-L57 VanDerWaalsContact CZ-CD1 3.5Å; F53-L57 HydrophobicContact CZ-CG 4.2Å; F53-L57 PolarHBondContact O-N 2.84Å; F53-L57 VanDerWaalsContact O-N 3.17Å; F53-F71 HydrophobicContact CD1-CE2 4.04Å; F53-F71 HydrophobicContact CE1-CE2 4.03Å; F53-V86 HydrophobicContact CE2-CG1 4.3Å; F53-V86 HydrophobicContact CZ-CG1 4.25Å; F53-V88 HydrophobicContact CD2-CG1 4.09Å; F53-V88 HydrophobicContact CE2-CG1 4.08Å; F53-I97 HydrophobicContact CB-CG1 4.4Å; F53-I97 HydrophobicContact CD2-CG2 4.43Å; F53-T100 HydrophobicContact CE2-CG2 4.11Å
54F98.2Very high97.6Very high41 Ų4147.6 Ų47.618%0.1827%0.266CS..Hα-helixtrans-71.4-28.3179.2-81.5-76.6000112.8F49 G52 V56 L57 A58 T63 V66 F71F49-F54 AromaticContact CD2-CD2 3.99Å; F49-F54 HydrophobicContact CD2-CD2 3.99Å; F49-F54 AromaticContact CD2-CE2 3.82Å; F49-F54 HydrophobicContact CD2-CE2 3.82Å; F49-F54 HydrophobicContact CE2-CD2 4.02Å; F49-F54 AromaticContact CE2-CE2 3.9Å; F49-F54 HydrophobicContact CE2-CE2 3.9Å; G52-F54 PolarHBondContact O-N 3.13Å; F54-V56 VanDerWaalsContact C-N 3.32Å; F54-V56 PolarHBondContact O-N 2.98Å; F54-L57 HydrophobicContact CD1-CD1 4.24Å; F54-L57 HydrophobicContact CE1-CD1 4.37Å; F54-L57 PolarHBondContact O-N 3.22Å; F54-A58 VanDerWaalsContact O-CB 3.28Å; F54-A58 WeakPolarHBondContact O-CB 3.29Å; F54-A58 PolarHBondContact O-N 3.11Å; F54-T63 HydrophobicContact CD1-CG2 3.95Å; F54-V66 HydrophobicContact CD1-CG2 4.3Å; F54-V66 HydrophobicContact CE1-CB 4.19Å; F54-V66 HydrophobicContact CE1-CG1 4.37Å; F54-V66 HydrophobicContact CE1-CG2 3.74Å; F54-V66 HydrophobicContact CE2-CB 4.24Å; F54-V66 HydrophobicContact CE2-CG1 4.03Å; F54-V66 HydrophobicContact CZ-CB 3.96Å; F54-V66 HydrophobicContact CZ-CG1 3.71Å; F54-V66 HydrophobicContact CZ-CG2 3.95Å; F54-F71 HydrophobicContact CE2-CB 4.24Å; F54-F71 AromaticContact CE2-CD2 3.62Å; F54-F71 HydrophobicContact CE2-CD2 3.62Å; F54-F71 HydrophobicContact CE2-CE2 4.22Å; F54-F71 HydrophobicContact CE2-CG 4.07Å; F54-F71 AromaticContact CZ-CD2 3.9Å; F54-F71 HydrophobicContact CZ-CD2 3.9Å
55Q97.4Very high97.3Very high122 Ų12255.5 Ų55.557%0.5731%0.308SS*.Hα-helixtrans-63.1-40.4174.4-66.882-21.300110.8G52 F53G52-Q55 WeakPolarHBondContact O-CB 3.49Å; G52-Q55 PolarHBondContact O-N 3.31Å; G52-Q55 VanDerWaalsContact O-N 3.12Å; G52-Q55 PolarHBondContact O-OE1 3.05Å; F53-Q55 VanDerWaalsContact C-N 3.34Å; F53-Q55 PolarHBondContact O-N 3.01Å
56V98Very high97.2Very high5 Ų557.4 Ų57.43%0.0332%0.319CS..Hα-helixtrans-68.1-45.8174.4-179.80000111.2G52 F53 F54 A58 Q59 I97 T100 V123G52-V56 PolarHBondContact O-N 3.15Å; G52-V56 VanDerWaalsContact O-N 3.16Å; F53-V56 PolarHBondContact O-N 3.36Å; F54-V56 VanDerWaalsContact C-N 3.32Å; F54-V56 PolarHBondContact O-N 2.98Å; V56-A58 VanDerWaalsContact C-N 3.27Å; V56-A58 PolarHBondContact O-N 3.2Å; V56-Q59 WeakPolarHBondContact O-CB 3.48Å; V56-Q59 PolarHBondContact O-N 3.09Å; V56-Q59 VanDerWaalsContact O-N 3.14Å; V56-I97 HydrophobicContact CG2-CG2 4.33Å; V56-I97 WeakPolarHBondContact CG2-O 3.47Å; V56-T100 HydrophobicContact CG1-CG2 4.42Å; V56-V123 HydrophobicContact CG1-CG1 3.85Å; V56-V123 HydrophobicContact CG1-CG2 4.27Å; V56-V123 WeakPolarHBondContact O-CG2 3.25Å
57L98.4Very high97.2Very high18 Ų1859.9 Ų59.99%0.09434%0.335CS..Hα-helixtrans-60.9-35.1177-75.2176.7000112.9F53 F54 Q59 L60 T61 T63 T100 E121 V123F53-L57 HydrophobicContact CD1-CD1 4.05Å; F53-L57 HydrophobicContact CE1-CD1 3.43Å; F53-L57 VanDerWaalsContact CE1-CD1 3.43Å; F53-L57 HydrophobicContact CE1-CG 4.44Å; F53-L57 HydrophobicContact CE2-CD1 4.15Å; F53-L57 HydrophobicContact CE2-CG 4.39Å; F53-L57 HydrophobicContact CZ-CD1 3.5Å; F53-L57 VanDerWaalsContact CZ-CD1 3.5Å; F53-L57 HydrophobicContact CZ-CG 4.2Å; F53-L57 PolarHBondContact O-N 2.84Å; F53-L57 VanDerWaalsContact O-N 3.17Å; F54-L57 HydrophobicContact CD1-CD1 4.24Å; F54-L57 HydrophobicContact CE1-CD1 4.37Å; F54-L57 PolarHBondContact O-N 3.22Å; L57-Q59 PolarHBondContact O-N 3.37Å; L57-L60 WeakPolarHBondContact O-CB 3.41Å; L57-L60 PolarHBondContact O-N 3.05Å; L57-T61 PolarHBondContact O-N 2.91Å; L57-T63 HydrophobicContact CB-CG2 3.69Å; L57-T100 HydrophobicContact CD2-CG2 3.69Å; L57-T100 HydrophobicContact CG-CG2 4.23Å; L57-E121 HydrophobicContact CD2-CB 4.38Å; L57-V123 HydrophobicContact CD2-CG1 4.16Å
58A97.8Very high97.1Very high54 Ų5461.4 Ų61.445%0.44634%0.343SS..Hα-helixtrans-62.6-20.7178.100000113.2F54 V56 L60 T61 T63F54-A58 VanDerWaalsContact O-CB 3.28Å; F54-A58 WeakPolarHBondContact O-CB 3.29Å; F54-A58 PolarHBondContact O-N 3.11Å; V56-A58 VanDerWaalsContact C-N 3.27Å; V56-A58 PolarHBondContact O-N 3.2Å; A58-L60 VanDerWaalsContact C-N 3.28Å; A58-T61 WeakPolarHBondContact CA-O 3.29Å; A58-T63 HydrophobicContact CB-CG2 4.2Å
59Q97.8Very high97Very high71 Ų7166.7 Ų66.733%0.33237%0.368SS..THydrogen-bonded Turntrans-75.4-17172.5-57.5-166.26.400113.4V56 L57 V123 D126V56-Q59 WeakPolarHBondContact O-CB 3.48Å; V56-Q59 PolarHBondContact O-N 3.09Å; V56-Q59 VanDerWaalsContact O-N 3.14Å; L57-Q59 PolarHBondContact O-N 3.37Å; Q59-V123 HydrophobicContact CB-CG2 4.18Å; Q59-D126 PolarHBondContact NE2-OD1 3.46Å; Q59-D126 PolarHBondContact OE1-OD1 3.44Å
60L96.6Very high97Very high86 Ų8670 Ų7045%0.4538%0.384SS..THydrogen-bonded Turntrans-92.2-47.4177-178.261.7000111.8L57 A58 E121 V123L57-L60 WeakPolarHBondContact O-CB 3.41Å; L57-L60 PolarHBondContact O-N 3.05Å; A58-L60 VanDerWaalsContact C-N 3.28Å; L60-E121 HydrophobicContact CD2-CB 4.41Å; L60-V123 HydrophobicContact CB-CB 3.94Å; L60-V123 HydrophobicContact CB-CG1 4.35Å; L60-V123 HydrophobicContact CB-CG2 4.01Å; L60-V123 HydrophobicContact CD2-CB 4.32Å
61T96.3Very high97Very high88 Ų8864.7 Ų64.754%0.5436%0.355SS..SBendtrans-159.6176.4-174.6-168.80000110.9L57 A58 T63L57-T61 PolarHBondContact O-N 2.91Å; A58-T61 WeakPolarHBondContact CA-O 3.29Å; T61-T63 PolarHBondContact O-N 3.17Å
62K96.3Very high97Very high154 Ų15463 Ų6367%0.6735%0.348SS*.  trans-65128.1173.6-63.6178.4-178.2174.50110.5
63T95.3Very high97.1Very high50 Ų5066.2 Ų66.231%0.30737%0.368SS..  trans-100.5-24.517456.70000113.3F54 L57 A58 T61F54-T63 HydrophobicContact CD1-CG2 3.95Å; L57-T63 HydrophobicContact CB-CG2 3.69Å; A58-T63 HydrophobicContact CB-CG2 4.2Å; T61-T63 PolarHBondContact O-N 3.17Å
64G92.8Very high97.1Very high54 Ų5471.4 Ų71.456%0.55739%0.391SS*.  trans69.6-175.7-170.600000113.3V66G64-V66 PolarHBondContact O-N 3.14Å
65D94.2Very high97.1Very high170 Ų17069.9 Ų69.991%0.90938%0.384SS*.  trans-87.597.2176.8-62.5-40.9000109.6
66V96.8Very high97.1Very high43 Ų4369.9 Ų69.926%0.26138%0.382SS..  trans-97.4125.3-177.2-176.90000110.4F49 F54 G64 Q70 F71F49-V66 HydrophobicContact CE2-CG1 4.48Å; F49-V66 WeakPolarHBondContact CZ-O 3.37Å; F54-V66 HydrophobicContact CD1-CG2 4.3Å; F54-V66 HydrophobicContact CE1-CB 4.19Å; F54-V66 HydrophobicContact CE1-CG1 4.37Å; F54-V66 HydrophobicContact CE1-CG2 3.74Å; F54-V66 HydrophobicContact CE2-CB 4.24Å; F54-V66 HydrophobicContact CE2-CG1 4.03Å; F54-V66 HydrophobicContact CZ-CB 3.96Å; F54-V66 HydrophobicContact CZ-CG1 3.71Å; F54-V66 HydrophobicContact CZ-CG2 3.95Å; G64-V66 PolarHBondContact O-N 3.14Å; V66-Q70 HydrophobicContact CG1-CB 4.06Å; V66-F71 HydrophobicContact CG1-CB 4.13Å
67T97.1Very high97.2Very high59 Ų5974.5 Ų74.536%0.36240%0.403SS..  trans-80.5155.8173.987.20000111.8E69 Q70 F71T67-E69 WeakPolarHBondContact CB-OE2 3.38Å; T67-E69 PolarHBondContact O-N 3.35Å; T67-E69 PolarHBondContact OG1-N 2.84Å; T67-E69 PolarHBondContact OG1-OE2 3.14Å; T67-Q70 PolarHBondContact O-N 2.9Å; T67-Q70 VanDerWaalsContact O-N 3.15Å; T67-Q70 PolarHBondContact OG1-N 2.94Å; T67-F71 PolarHBondContact O-N 3.17Å
68P96.9Very high97.2Very high49 Ų4975.3 Ų75.332%0.31841%0.407SS..Hα-helixtrans-53.5-36.8173.7-2532.4000113.3F49 F71 V72F49-P68 HydrophobicContact CD1-CG 4.26Å; F49-P68 HydrophobicContact CE1-CB 4.25Å; F49-P68 HydrophobicContact CE1-CG 3.62Å; F49-P68 HydrophobicContact CZ-CB 4.44Å; F49-P68 HydrophobicContact CZ-CG 3.9Å; P68-F71 PolarHBondContact O-N 3.49Å; P68-V72 WeakPolarHBondContact O-CB 3.35Å; P68-V72 WeakPolarHBondContact O-CG2 3.17Å; P68-V72 PolarHBondContact O-N 3.16Å
69E97.3Very high97.2Very high110 Ų11076.7 Ų76.751%0.51440%0.403SS..Hα-helixtrans-67.1-43.2179.7-61.768.3-146.300111.7T67 S73T67-E69 WeakPolarHBondContact CB-OE2 3.38Å; T67-E69 PolarHBondContact O-N 3.35Å; T67-E69 PolarHBondContact OG1-N 2.84Å; T67-E69 PolarHBondContact OG1-OE2 3.14Å; E69-S73 WeakPolarHBondContact O-CB 3.16Å; E69-S73 PolarHBondContact O-N 3.49Å
70Q97.9Very high97.3Very high109 Ų10977.9 Ų77.951%0.50942%0.419SS..Hα-helixtrans-62.6-46.1175.9-70.7174.8-39.700110.8V66 T67 S73 K74V66-Q70 HydrophobicContact CG1-CB 4.06Å; T67-Q70 PolarHBondContact O-N 2.9Å; T67-Q70 VanDerWaalsContact O-N 3.15Å; T67-Q70 PolarHBondContact OG1-N 2.94Å; Q70-S73 PolarHBondContact O-N 3.33Å; Q70-K74 WeakPolarHBondContact O-CB 3.44Å; Q70-K74 PolarHBondContact O-N 3.34Å
71F98.3Very high97.3Very high12 Ų1276 Ų765%0.05341%0.412CS..Hα-helixtrans-60.3-51.5178172.5-113.6000111.9L44 T46 F49 F53 F54 V66 T67 P68 S73 K74 F75L44-F71 HydrophobicContact CD2-CE2 4.11Å; L44-F71 HydrophobicContact CD2-CZ 4.08Å; L44-F71 HydrophobicContact CG-CZ 4.45Å; T46-F71 WeakPolarHBondContact O-CE1 3.28Å; F49-F71 HydrophobicContact CB-CD1 3.7Å; F49-F71 HydrophobicContact CB-CE1 3.7Å; F49-F71 HydrophobicContact CD2-CB 3.69Å; F49-F71 AromaticContact CD2-CD1 3.61Å; F49-F71 HydrophobicContact CD2-CD1 3.61Å; F49-F71 HydrophobicContact CD2-CD2 4.44Å; F49-F71 HydrophobicContact CD2-CE1 4.32Å; F49-F71 AromaticContact CD2-CG 3.66Å; F49-F71 HydrophobicContact CD2-CG 3.66Å; F49-F71 HydrophobicContact CE2-CB 3.97Å; F49-F71 HydrophobicContact CE2-CG 4.41Å; F49-F71 HydrophobicContact CG-CD1 4.01Å; F49-F71 HydrophobicContact CG-CE1 4.48Å; F53-F71 HydrophobicContact CD1-CE2 4.04Å; F53-F71 HydrophobicContact CE1-CE2 4.03Å; F54-F71 HydrophobicContact CE2-CB 4.24Å; F54-F71 AromaticContact CE2-CD2 3.62Å; F54-F71 HydrophobicContact CE2-CD2 3.62Å; F54-F71 HydrophobicContact CE2-CE2 4.22Å; F54-F71 HydrophobicContact CE2-CG 4.07Å; F54-F71 AromaticContact CZ-CD2 3.9Å; F54-F71 HydrophobicContact CZ-CD2 3.9Å; V66-F71 HydrophobicContact CG1-CB 4.13Å; T67-F71 PolarHBondContact O-N 3.17Å; P68-F71 PolarHBondContact O-N 3.49Å; F71-S73 VanDerWaalsContact C-N 3.35Å; F71-S73 PolarHBondContact O-N 3.36Å; F71-K74 PolarHBondContact O-N 3.16Å; F71-F75 HydrophobicContact CZ-CD2 4.47Å; F71-F75 WeakPolarHBondContact O-CB 3.36Å; F71-F75 PolarHBondContact O-N 3.34Å
72V98.4Very high97.4Very high4 Ų474 Ų742%0.02441%0.408CS..Hα-helixtrans-67.8-35.3-178.3172.60000112.1M1 L3 T46 P68 K74 F75 K76M1-V72 HydrophobicContact CE-CB 3.29Å; M1-V72 HydrophobicContact CE-CG1 3.38Å; M1-V72 HydrophobicContact CE-CG2 3.66Å; M1-V72 HydrophobicContact SD-CB 4.08Å; M1-V72 HydrophobicContact SD-CG1 3.42Å; M1-V72 WeakPolarHBondContact SD-CG1 3.33Å; L3-V72 HydrophobicContact CD2-CG2 3.39Å; T46-V72 HydrophobicContact CG2-CG1 4.39Å; T46-V72 HydrophobicContact CG2-CG2 3.97Å; P68-V72 WeakPolarHBondContact O-CB 3.35Å; P68-V72 WeakPolarHBondContact O-CG2 3.17Å; P68-V72 PolarHBondContact O-N 3.16Å; V72-K74 VanDerWaalsContact C-N 3.35Å; V72-F75 PolarHBondContact O-N 2.98Å; V72-K76 HydrophobicContact CG1-CD 3.98Å; V72-K76 HydrophobicContact CG1-CG 4.23Å; V72-K76 WeakPolarHBondContact O-CB 3.35Å; V72-K76 VanDerWaalsContact O-CG 3.31Å; V72-K76 WeakPolarHBondContact O-CG 3.4Å; V72-K76 PolarHBondContact O-N 2.96Å
73S98.2Very high97.5Very high80 Ų8068.7 Ų68.756%0.55939%0.387SS*.Hα-helixtrans-59-47.2172.2-179.40000111E69 Q70 F71 K76 H77E69-S73 WeakPolarHBondContact O-CB 3.16Å; E69-S73 PolarHBondContact O-N 3.49Å; Q70-S73 PolarHBondContact O-N 3.33Å; F71-S73 VanDerWaalsContact C-N 3.35Å; F71-S73 PolarHBondContact O-N 3.36Å; S73-K76 PolarHBondContact O-N 3.12Å; S73-H77 PolarHBondContact O-N 3.35Å; S73-H77 VanDerWaalsContact O-N 3.1Å
74K98.4Very high97.7Very high121 Ų12169.4 Ų69.453%0.52639%0.385SS..Hα-helixtrans-63.7-44.9176.4-173.259.657.4174.10112.2Q70 F71 V72 K76 H77 M78Q70-K74 WeakPolarHBondContact O-CB 3.44Å; Q70-K74 PolarHBondContact O-N 3.34Å; F71-K74 PolarHBondContact O-N 3.16Å; V72-K74 VanDerWaalsContact C-N 3.35Å; K74-K76 PolarHBondContact O-N 3.41Å; K74-H77 PolarHBondContact O-N 3.24Å; K74-M78 HydrophobicContact CD-CE 4.04Å; K74-M78 HydrophobicContact CG-CE 3.89Å; K74-M78 HydrophobicContact CG-SD 4.29Å; K74-M78 WeakPolarHBondContact O-CG 3.44Å; K74-M78 PolarHBondContact O-N 2.98Å
75F98.7Very high98Very high9 Ų968 Ų684%0.03936%0.363CS..Hα-helixtrans-57.5-48.7176.6-179.6-82.4000111.7L8 L44 T46 F71 V72 H77 M78 K79L8-F75 HydrophobicContact CB-CE2 3.77Å; L8-F75 HydrophobicContact CB-CZ 3.86Å; L8-F75 HydrophobicContact CD1-CD1 4.31Å; L8-F75 HydrophobicContact CD1-CD2 3.85Å; L8-F75 HydrophobicContact CD1-CE1 4.18Å; L8-F75 HydrophobicContact CD1-CE2 3.7Å; L8-F75 HydrophobicContact CD1-CG 4.16Å; L8-F75 HydrophobicContact CD1-CZ 3.88Å; L8-F75 HydrophobicContact CG-CE2 4.31Å; L44-F75 HydrophobicContact CB-CE2 4.45Å; L44-F75 HydrophobicContact CD2-CD2 4.01Å; L44-F75 HydrophobicContact CD2-CE2 4.26Å; L44-F75 HydrophobicContact CG-CD2 4.36Å; L44-F75 HydrophobicContact CG-CE2 4.17Å; L44-F75 WeakPolarHBondContact O-CE2 3.48Å; T46-F75 HydrophobicContact CG2-CB 4.21Å; T46-F75 HydrophobicContact CG2-CD1 3.47Å; T46-F75 VanDerWaalsContact CG2-CD1 3.47Å; T46-F75 HydrophobicContact CG2-CD2 4.04Å; T46-F75 HydrophobicContact CG2-CE1 3.74Å; T46-F75 HydrophobicContact CG2-CE2 4.26Å; T46-F75 HydrophobicContact CG2-CG 3.64Å; T46-F75 HydrophobicContact CG2-CZ 4.13Å; F71-F75 HydrophobicContact CZ-CD2 4.47Å; F71-F75 WeakPolarHBondContact O-CB 3.36Å; F71-F75 PolarHBondContact O-N 3.34Å; V72-F75 PolarHBondContact O-N 2.98Å; F75-H77 VanDerWaalsContact C-N 3.32Å; F75-H77 PolarHBondContact O-N 3.41Å; F75-M78 PolarHBondContact O-N 2.96Å; F75-K79 HydrophobicContact CE1-CD 3.97Å; F75-K79 WeakPolarHBondContact O-CB 3.25Å; F75-K79 PolarHBondContact O-N 2.99Å
76K98.4Very high98.2Very high122 Ų12260.1 Ų60.153%0.5332%0.321SS..Hα-helixtrans-61.1-41.6179.1-77176.2177.41760111.7V72 S73 K74 K79 S80V72-K76 HydrophobicContact CG1-CD 3.98Å; V72-K76 HydrophobicContact CG1-CG 4.23Å; V72-K76 WeakPolarHBondContact O-CB 3.35Å; V72-K76 VanDerWaalsContact O-CG 3.31Å; V72-K76 WeakPolarHBondContact O-CG 3.4Å; V72-K76 PolarHBondContact O-N 2.96Å; S73-K76 PolarHBondContact O-N 3.12Å; K74-K76 PolarHBondContact O-N 3.41Å; K76-K79 PolarHBondContact O-N 3.33Å; K76-S80 WeakPolarHBondContact O-CB 3.17Å; K76-S80 PolarHBondContact O-N 3Å; K76-S80 PolarHBondContact O-OG 2.69Å
77H98.7Very high98.3Very high102 Ų10258.1 Ų58.147%0.47231%0.308SS..Hα-helixtrans-62.4-49.9174.6177.174.2000111.8S73 K74 F75 K79 S80 T81S73-H77 PolarHBondContact O-N 3.35Å; S73-H77 VanDerWaalsContact O-N 3.1Å; K74-H77 PolarHBondContact O-N 3.24Å; F75-H77 VanDerWaalsContact C-N 3.32Å; F75-H77 PolarHBondContact O-N 3.41Å; H77-K79 VanDerWaalsContact C-N 3.31Å; H77-K79 PolarHBondContact O-N 3.13Å; H77-S80 PolarHBondContact O-N 2.66Å; H77-S80 PolarHBondContact O-OG 2.93Å; H77-T81 WeakPolarHBondContact O-CG2 3.32Å; H77-T81 PolarHBondContact O-N 2.67Å
78M98.7Very high98.4Very high35 Ų3555.3 Ų55.317%0.17229%0.291CS..Hα-helixtrans-55.8-47.9176.7-74.6176.117200111.1L8 K74 F75 S80 T81 Y84 V86L8-M78 HydrophobicContact CD1-CB 3.99Å; K74-M78 HydrophobicContact CD-CE 4.04Å; K74-M78 HydrophobicContact CG-CE 3.89Å; K74-M78 HydrophobicContact CG-SD 4.29Å; K74-M78 WeakPolarHBondContact O-CG 3.44Å; K74-M78 PolarHBondContact O-N 2.98Å; F75-M78 PolarHBondContact O-N 2.96Å; M78-S80 PolarHBondContact O-N 3.25Å; M78-T81 PolarHBondContact O-N 3.39Å; M78-T81 PolarHBondContact O-OG1 3.28Å; M78-Y84 HydrophobicContact CB-CD2 4.11Å; M78-Y84 HydrophobicContact CB-CG 3.93Å; M78-Y84 HydrophobicContact CE-CD1 4.06Å; M78-Y84 HydrophobicContact CE-CE1 4.04Å; M78-Y84 HydrophobicContact CG-CD1 3.91Å; M78-Y84 HydrophobicContact CG-CD2 4.03Å; M78-Y84 HydrophobicContact CG-CE1 4.28Å; M78-Y84 HydrophobicContact CG-CE2 4.39Å; M78-Y84 HydrophobicContact CG-CG 3.77Å; M78-Y84 HydrophobicContact SD-CD1 4.13Å; M78-Y84 HydrophobicContact SD-CG 4.42Å; M78-V86 HydrophobicContact SD-CG2 4.45Å
79K98.5Very high98.5Very high83 Ų8353 Ų5336%0.36128%0.276SS..Hα-helixtrans-57.2-46.6176.6-173.4156.8-178.1166.80112.4P7 L8 F75 K76 H77 T81 G82P7-K79 WeakPolarHBondContact O-CE 3.42Å; P7-K79 PolarHBondContact O-NZ 3.26Å; L8-K79 HydrophobicContact CD1-CB 3.88Å; L8-K79 WeakPolarHBondContact O-CG 3.46Å; F75-K79 HydrophobicContact CE1-CD 3.97Å; F75-K79 WeakPolarHBondContact O-CB 3.25Å; F75-K79 PolarHBondContact O-N 2.99Å; K76-K79 PolarHBondContact O-N 3.33Å; H77-K79 VanDerWaalsContact C-N 3.31Å; H77-K79 PolarHBondContact O-N 3.13Å; K79-T81 PolarHBondContact O-N 3.18Å; K79-G82 PolarHBondContact O-N 3.02Å; K79-G82 VanDerWaalsContact O-N 3.17Å
80S98.4Very high98.5Very high95 Ų9548.3 Ų48.366%0.66425%0.254SS*.Hα-helixtrans-67.1-24.4-176.670.60000113.4K76 H77 M78 G82K76-S80 WeakPolarHBondContact O-CB 3.17Å; K76-S80 PolarHBondContact O-N 3Å; K76-S80 PolarHBondContact O-OG 2.69Å; H77-S80 PolarHBondContact O-N 2.66Å; H77-S80 PolarHBondContact O-OG 2.93Å; M78-S80 PolarHBondContact O-N 3.25Å; S80-G82 VanDerWaalsContact C-N 3.33Å
81T98Very high98.5Very high48 Ų4844 Ų4429%0.29424%0.235SC..Hα-helixtrans-74-25.4176.368.20000113H77 M78 K79 N83 Y84H77-T81 WeakPolarHBondContact O-CG2 3.32Å; H77-T81 PolarHBondContact O-N 2.67Å; M78-T81 PolarHBondContact O-N 3.39Å; M78-T81 PolarHBondContact O-OG1 3.28Å; K79-T81 PolarHBondContact O-N 3.18Å; T81-N83 PolarHBondContact O-N 2.91Å; T81-N83 PolarHBondContact O-ND2 2.84Å; T81-N83 VanDerWaalsContact O-ND2 3.13Å; T81-N83 PolarHBondContact OG1-N 2.79Å; T81-Y84 WeakPolarHBondContact OG1-CD2 3.38Å
82G98.1Very high98.5Very high46 Ų4649 Ų4947%0.47426%0.256SS..THydrogen-bonded Turntrans64.512.8-172.100000114.9K79 S80K79-G82 PolarHBondContact O-N 3.02Å; K79-G82 VanDerWaalsContact O-N 3.17Å; S80-G82 VanDerWaalsContact C-N 3.33Å
83N98.6Very high98.4Very high42 Ų4254 Ų5423%0.22528%0.283CS..  trans-116.40.3-172.9-66.3-44.9000114T81 I104 I105 H107T81-N83 PolarHBondContact O-N 2.91Å; T81-N83 PolarHBondContact O-ND2 2.84Å; T81-N83 VanDerWaalsContact O-ND2 3.13Å; T81-N83 PolarHBondContact OG1-N 2.79Å; N83-I104 WeakPolarHBondContact O-CA 3.37Å; N83-I105 HydrophobicContact CB-CB 4.26Å; N83-I105 PolarHBondContact O-N 2.92Å; N83-H107 PolarHBondContact OD1-NE2 3.17Å
84Y98.9Very high98.2Very high65 Ų6555.2 Ų55.226%0.25528%0.283SS..EExtended strand (participates in β ladder)trans-111.2128.8178.6-75.2-98.9000110.8M78 T81 T102 I104M78-Y84 HydrophobicContact CB-CD2 4.11Å; M78-Y84 HydrophobicContact CB-CG 3.93Å; M78-Y84 HydrophobicContact CE-CD1 4.06Å; M78-Y84 HydrophobicContact CE-CE1 4.04Å; M78-Y84 HydrophobicContact CG-CD1 3.91Å; M78-Y84 HydrophobicContact CG-CD2 4.03Å; M78-Y84 HydrophobicContact CG-CE1 4.28Å; M78-Y84 HydrophobicContact CG-CE2 4.39Å; M78-Y84 HydrophobicContact CG-CG 3.77Å; M78-Y84 HydrophobicContact SD-CD1 4.13Å; M78-Y84 HydrophobicContact SD-CG 4.42Å; T81-Y84 WeakPolarHBondContact OG1-CD2 3.38Å; Y84-T102 HydrophobicContact CD1-CG2 4.46Å; Y84-I104 HydrophobicContact CD1-CD1 4.28Å; Y84-I104 HydrophobicContact CD1-CG1 3.96Å; Y84-I104 HydrophobicContact CE1-CD1 3.72Å; Y84-I104 HydrophobicContact CE1-CG1 3.89Å; Y84-I104 HydrophobicContact CE1-CG2 4.28Å
85Y98.9Very high98.2Very high25 Ų2550.9 Ų50.910%0.09827%0.272CS..EExtended strand (participates in β ladder)trans-126.277.6179.5-58.5-96.1000108.4F9 L13 V87 L103 I105 L144 L148F9-Y85 HydrophobicContact CB-CD1 4.2Å; F9-Y85 HydrophobicContact CB-CE1 4.33Å; F9-Y85 AromaticContact CD1-CD1 3.89Å; F9-Y85 HydrophobicContact CD1-CD1 3.89Å; F9-Y85 HydrophobicContact CD1-CG 4.4Å; F9-Y85 AromaticContact CD2-CD1 3.69Å; F9-Y85 HydrophobicContact CD2-CD1 3.69Å; F9-Y85 HydrophobicContact CD2-CE1 4.13Å; F9-Y85 HydrophobicContact CE1-CD1 4.12Å; F9-Y85 HydrophobicContact CE1-CG 4.5Å; F9-Y85 AromaticContact CE2-CD1 3.92Å; F9-Y85 HydrophobicContact CE2-CD1 3.92Å; F9-Y85 AromaticContact CG-CD1 3.66Å; F9-Y85 HydrophobicContact CG-CD1 3.66Å; F9-Y85 HydrophobicContact CG-CE1 4.19Å; F9-Y85 HydrophobicContact CZ-CD1 4.12Å; L13-Y85 HydrophobicContact CD1-CE1 3.81Å; Y85-V87 PolarHBondContact O-N 3.44Å; Y85-L103 HydrophobicContact CD2-CD2 4.34Å; Y85-L103 HydrophobicContact CD2-CG 4.34Å; Y85-L103 PolarHBondContact N-O 2.89Å; Y85-L103 PolarHBondContact O-N 2.68Å; Y85-I105 HydrophobicContact CD2-CG1 4.02Å; Y85-I105 HydrophobicContact CE2-CD1 4.4Å; Y85-I105 HydrophobicContact CE2-CG1 3.48Å; Y85-I105 VanDerWaalsContact CE2-CG1 3.48Å; Y85-L144 HydrophobicContact CD1-CD2 3.83Å; Y85-L144 HydrophobicContact CE1-CD2 4.46Å; Y85-L144 HydrophobicContact CG-CD2 4.11Å; Y85-L148 HydrophobicContact CD2-CD1 4.42Å; Y85-L148 HydrophobicContact CE1-CD1 3.97Å; Y85-L148 HydrophobicContact CE2-CD1 3.75Å; Y85-L148 VanDerWaalsContact CZ-CD1 3.46Å; Y85-L148 WeakPolarHBondContact OH-CD1 3.24Å
86V98.9Very high98.1Very high4 Ų455 Ų552%0.02429%0.292CS..EExtended strand (participates in β ladder)trans-79.9114.6172.6-171.40000108.2L8 L44 F53 M78 T102L8-V86 HydrophobicContact CD2-CB 3.73Å; L8-V86 HydrophobicContact CD2-CG2 3.63Å; L44-V86 HydrophobicContact CB-CB 3.94Å; L44-V86 HydrophobicContact CB-CG1 3.96Å; L44-V86 HydrophobicContact CD2-CB 4.19Å; L44-V86 HydrophobicContact CD2-CG1 3.97Å; L44-V86 HydrophobicContact CG-CG1 4.44Å; L44-V86 PolarHBondContact N-O 3.31Å; F53-V86 HydrophobicContact CE2-CG1 4.3Å; F53-V86 HydrophobicContact CZ-CG1 4.25Å; M78-V86 HydrophobicContact SD-CG2 4.45Å; V86-T102 HydrophobicContact CG2-CG2 3.95Å
87V98.9Very high98.2Very high0 Ų049.5 Ų49.50%027%0.268CS..EExtended strand (participates in β ladder)trans-110.4129.3-178.2179.30000108.8F9 L14 L41 Y85 T100 A101 L137 L141F9-V87 HydrophobicContact CE1-CG2 4.11Å; F9-V87 HydrophobicContact CZ-CG2 3.82Å; L14-V87 HydrophobicContact CD1-CG1 4.31Å; L14-V87 HydrophobicContact CD1-CG2 4.32Å; L14-V87 HydrophobicContact CD2-CG2 4.11Å; L41-V87 HydrophobicContact CD1-CG1 4.21Å; L41-V87 HydrophobicContact CD2-CG1 3.85Å; L41-V87 HydrophobicContact CG-CG1 3.77Å; Y85-V87 PolarHBondContact O-N 3.44Å; V87-T100 CarbonylContact O-C 3.51Å; V87-T100 VanDerWaalsContact O-CA 3.26Å; V87-T100 WeakPolarHBondContact O-CA 3.5Å; V87-T100 PolarHBondContact O-OG1 3.44Å; V87-A101 PolarHBondContact N-O 3.43Å; V87-A101 PolarHBondContact O-N 2.94Å; V87-L137 HydrophobicContact CB-CD2 4.19Å; V87-L137 HydrophobicContact CG1-CD2 3.76Å; V87-L141 HydrophobicContact CB-CD2 4.27Å; V87-L141 HydrophobicContact CG2-CD2 3.64Å
88V98.9Very high98.2Very high0 Ų044.9 Ų44.90%025%0.247CC..EExtended strand (participates in β ladder)trans-114.3155.3177.4-61.80000110.7L41 R42 L44 F53 I97 A99L41-V88 WeakPolarHBondContact CA-O 3.3Å; R42-V88 HydrophobicContact CG-CG2 4.05Å; R42-V88 PolarHBondContact N-O 3.23Å; R42-V88 WeakPolarHBondContact O-CG2 3.2Å; R42-V88 PolarHBondContact O-N 3.47Å; L44-V88 HydrophobicContact CB-CG1 4.37Å; L44-V88 HydrophobicContact CD1-CG1 3.81Å; F53-V88 HydrophobicContact CD2-CG1 4.09Å; F53-V88 HydrophobicContact CE2-CG1 4.08Å; V88-I97 HydrophobicContact CB-CD1 4.01Å; V88-I97 HydrophobicContact CB-CG2 3.98Å; V88-I97 HydrophobicContact CG1-CG2 4.08Å; V88-I97 HydrophobicContact CG2-CD1 3.84Å; V88-A99 CarbonylContact C-O 3.56Å; V88-A99 WeakPolarHBondContact CA-O 3.46Å
89V98.8Very high98.2Very high0 Ų043.2 Ų43.20%024%0.239CC..EExtended strand (participates in β ladder)trans-110.2121.2161.1-175.80000107.8L39 E40 L41 I98 A99 L133 L137L39-V89 HydrophobicContact CB-CG1 4.19Å; L39-V89 HydrophobicContact CD1-CG1 4.26Å; E40-V89 CarbonylContact O-C 3.59Å; E40-V89 VanDerWaalsContact O-CA 3.26Å; E40-V89 WeakPolarHBondContact O-CA 3.26Å; L41-V89 HydrophobicContact CB-CG2 4.47Å; L41-V89 HydrophobicContact CD1-CG2 4.3Å; V89-I98 HydrophobicContact CB-CG1 4.24Å; V89-I98 HydrophobicContact CG1-CD1 4.12Å; V89-I98 HydrophobicContact CG1-CG1 4.03Å; V89-I98 WeakPolarHBondContact O-CG1 3.47Å; V89-I98 PolarHBondContact O-N 3.3Å; V89-A99 HydrophobicContact CB-CB 4.07Å; V89-A99 HydrophobicContact CG2-CB 4.17Å; V89-A99 PolarHBondContact N-O 3.29Å; V89-A99 PolarHBondContact O-N 3.41Å; V89-L133 HydrophobicContact CG1-CD1 4.29Å; V89-L133 HydrophobicContact CG1-CD2 4.23Å; V89-L137 HydrophobicContact CG2-CD2 4.2Å; V89-L137 HydrophobicContact CG2-CG 4.36Å
90E98.6Very high98.2Very high12 Ų1239.3 Ų39.36%0.05622%0.221CC..EExtended strand (participates in β ladder)trans-99.1135.7173.3178.9175.1-16700110L39 E40 R42 K51 Q96 I97L39-E90 CarbonylContact C-O 3.59Å; L39-E90 WeakPolarHBondContact CA-O 3.34Å; E40-E90 PolarHBondContact N-O 2.82Å; E40-E90 PolarHBondContact O-N 3.38Å; R42-E90 IonicContact CZ-OE2 3.31Å; R42-E90 VanDerWaalsContact CZ-OE2 3.25Å; R42-E90 IonicContact NE-OE2 3.02Å; R42-E90 PolarHBondContact NE-OE2 2.96Å; R42-E90 IonicContact NH2-OE2 2.87Å; R42-E90 PolarHBondContact NH2-OE2 2.92Å; K51-E90 WeakPolarHBondContact CD-OE1 3.26Å; K51-E90 WeakPolarHBondContact CE-OE1 3.32Å; K51-E90 IonicContact NZ-OE1 3.55Å; K51-E90 PolarHBondContact NZ-OE1 3.5Å; K51-E90 IonicContact NZ-OE2 3.55Å; K51-E90 PolarHBondContact NZ-OE2 3.43Å; E90-Q96 CarbonylContact C-O 3.43Å; E90-Q96 WeakPolarHBondContact CA-O 3.36Å; E90-I97 HydrophobicContact CB-CD1 4Å; E90-I97 HydrophobicContact CG-CD1 4.46Å
91D98Very high98.2Very high20 Ų2034.8 Ų34.811%0.10719%0.19CC..EExtended strand (participates in β ladder)trans-84.7111159.2-174-45.1000108.2L39 N93 L94 G95 Q96 I98L39-D91 HydrophobicContact CD2-CB 4.01Å; D91-N93 VanDerWaalsContact C-N 3.31Å; D91-N93 PolarHBondContact O-N 2.85Å; D91-N93 WeakPolarHBondContact OD1-CB 3.25Å; D91-N93 PolarHBondContact OD1-N 2.91Å; D91-L94 HydrophobicContact CB-CB 4.29Å; D91-L94 HydrophobicContact CB-CD1 4.38Å; D91-L94 HydrophobicContact CB-CG 4.45Å; D91-L94 PolarHBondContact O-N 3.4Å; D91-L94 PolarHBondContact OD1-N 3.11Å; D91-L94 VanDerWaalsContact OD1-N 3.13Å; D91-G95 WeakPolarHBondContact O-CA 3.28Å; D91-G95 PolarHBondContact O-N 2.89Å; D91-Q96 PolarHBondContact N-O 3.39Å; D91-Q96 PolarHBondContact O-N 2.88Å; D91-I98 HydrophobicContact CB-CD1 4.25Å; D91-I98 HydrophobicContact CB-CG2 3.94Å
92K97.2Very high98.2Very high115 Ų11532.5 Ų32.550%0.518%0.176SC..THydrogen-bonded Turntrans-73.4-22.5-174.6-65.7-177.5-66.1-179.60113.2D38 E40D38-K92 WeakPolarHBondContact O-CB 3.26Å; D38-K92 PolarHBondContact O-N 2.9Å; E40-K92 HydrophobicContact CB-CD 4.14Å; E40-K92 HydrophobicContact CB-CG 4.25Å
93N96.1Very high98.3Very high111 Ų11130.3 Ų30.359%0.59415%0.153SC*.THydrogen-bonded Turntrans-72.2-38.1175.6-69.8-29.5000110.6D38 D91D38-N93 WeakPolarHBondContact CB-ND2 3.33Å; D38-N93 PolarHBondContact OD2-ND2 3.42Å; D91-N93 VanDerWaalsContact C-N 3.31Å; D91-N93 PolarHBondContact O-N 2.85Å; D91-N93 WeakPolarHBondContact OD1-CB 3.25Å; D91-N93 PolarHBondContact OD1-N 2.91Å
94L95.3Very high98.3Very high105 Ų10530.1 Ų30.155%0.5515%0.152SC..THydrogen-bonded Turntrans-88-21.6178.8-58.8179.5000113D91 Q96D91-L94 HydrophobicContact CB-CB 4.29Å; D91-L94 HydrophobicContact CB-CD1 4.38Å; D91-L94 HydrophobicContact CB-CG 4.45Å; D91-L94 PolarHBondContact O-N 3.4Å; D91-L94 PolarHBondContact OD1-N 3.11Å; D91-L94 VanDerWaalsContact OD1-N 3.13Å; L94-Q96 VanDerWaalsContact C-N 3.28Å; L94-Q96 HydrophobicContact CB-CB 4.1Å; L94-Q96 HydrophobicContact CB-CG 4.1Å
95G97.1Very high98.3Very high29 Ų2927.4 Ų27.430%0.29914%0.142SC..THydrogen-bonded Turntrans64.534.6-17000000112K51 D91K51-G95 WeakPolarHBondContact CB-O 3.48Å; K51-G95 WeakPolarHBondContact CG-O 3.49Å; D91-G95 WeakPolarHBondContact O-CA 3.28Å; D91-G95 PolarHBondContact O-N 2.89Å
96Q98.1Very high98.3Very high97 Ų9728.9 Ų28.945%0.45315%0.149SC..EExtended strand (participates in β ladder)trans-125.5140.8-172.7-71.1-175.2-5.800112.2K51 E90 D91 L94K51-Q96 CarbonylContact O-C 3.59Å; K51-Q96 VanDerWaalsContact O-CA 3.3Å; K51-Q96 WeakPolarHBondContact O-CA 3.37Å; E90-Q96 CarbonylContact C-O 3.43Å; E90-Q96 WeakPolarHBondContact CA-O 3.36Å; D91-Q96 PolarHBondContact N-O 3.39Å; D91-Q96 PolarHBondContact O-N 2.88Å; L94-Q96 VanDerWaalsContact C-N 3.28Å; L94-Q96 HydrophobicContact CB-CB 4.1Å; L94-Q96 HydrophobicContact CB-CG 4.1Å
97I98.7Very high98.3Very high5 Ų533.8 Ų33.83%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-70.9129.4166.5-55.9-48.2000108.3D48 K51 F53 V56 V88 E90D48-I97 HydrophobicContact CB-CD1 4.42Å; D48-I97 HydrophobicContact CB-CG1 4.21Å; K51-I97 HydrophobicContact CB-CG1 4.13Å; K51-I97 PolarHBondContact O-N 2.73Å; F53-I97 HydrophobicContact CB-CG1 4.4Å; F53-I97 HydrophobicContact CD2-CG2 4.43Å; V56-I97 HydrophobicContact CG2-CG2 4.33Å; V56-I97 WeakPolarHBondContact CG2-O 3.47Å; V88-I97 HydrophobicContact CB-CD1 4.01Å; V88-I97 HydrophobicContact CB-CG2 3.98Å; V88-I97 HydrophobicContact CG1-CG2 4.08Å; V88-I97 HydrophobicContact CG2-CD1 3.84Å; E90-I97 HydrophobicContact CB-CD1 4Å; E90-I97 HydrophobicContact CG-CD1 4.46Å
98I98.5Very high98.3Very high6 Ų636.8 Ų36.83%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-121-11.1-178.159.6163.5000113.2L39 V89 D91 S125 C128 L133L39-I98 HydrophobicContact CD1-CD1 4.27Å; L39-I98 HydrophobicContact CD2-CD1 3.58Å; V89-I98 HydrophobicContact CB-CG1 4.24Å; V89-I98 HydrophobicContact CG1-CD1 4.12Å; V89-I98 HydrophobicContact CG1-CG1 4.03Å; V89-I98 WeakPolarHBondContact O-CG1 3.47Å; V89-I98 PolarHBondContact O-N 3.3Å; D91-I98 HydrophobicContact CB-CD1 4.25Å; D91-I98 HydrophobicContact CB-CG2 3.94Å; I98-S125 VanDerWaalsContact O-CB 3.24Å; I98-S125 WeakPolarHBondContact O-CB 3.41Å; I98-S125 PolarHBondContact O-N 3.06Å; I98-C128 HydrophobicContact CB-CB 4.34Å; I98-C128 HydrophobicContact CD1-CB 4.32Å; I98-L133 HydrophobicContact CD1-CD1 3.53Å; I98-L133 HydrophobicContact CG1-CD1 4.08Å
99A98.8Very high98.2Very high0 Ų045.9 Ų45.90%023%0.225CC..EExtended strand (participates in β ladder)trans-156.5154.1172.200000111V88 V89 V123 V124 L133 L137V88-A99 CarbonylContact C-O 3.56Å; V88-A99 WeakPolarHBondContact CA-O 3.46Å; V89-A99 HydrophobicContact CB-CB 4.07Å; V89-A99 HydrophobicContact CG2-CB 4.17Å; V89-A99 PolarHBondContact N-O 3.29Å; V89-A99 PolarHBondContact O-N 3.41Å; A99-V123 CarbonylContact C-O 3.54Å; A99-V123 WeakPolarHBondContact CA-O 3.5Å; A99-V124 HydrophobicContact CB-CB 4.3Å; A99-V124 HydrophobicContact CB-CG1 4.24Å; A99-V124 HydrophobicContact CB-CG2 4Å; A99-L133 HydrophobicContact CB-CB 4.23Å; A99-L133 HydrophobicContact CB-CD1 4.29Å; A99-L137 HydrophobicContact CB-CD1 3.69Å
100T98.9Very high98.2Very high0 Ų050.4 Ų50.40%025%0.248CC..EExtended strand (participates in β ladder)trans-149154.4173.3-175.50000111.7F53 V56 L57 V87 V123F53-T100 HydrophobicContact CE2-CG2 4.11Å; V56-T100 HydrophobicContact CG1-CG2 4.42Å; L57-T100 HydrophobicContact CD2-CG2 3.69Å; L57-T100 HydrophobicContact CG-CG2 4.23Å; V87-T100 CarbonylContact O-C 3.51Å; V87-T100 VanDerWaalsContact O-CA 3.26Å; V87-T100 WeakPolarHBondContact O-CA 3.5Å; V87-T100 PolarHBondContact O-OG1 3.44Å; T100-V123 HydrophobicContact CG2-CG1 3.5Å; T100-V123 PolarHBondContact N-O 2.87Å; T100-V123 PolarHBondContact O-N 3.41Å
101A98.9Very high98.2Very high0 Ų055.6 Ų55.60%027%0.272CS..EExtended strand (participates in β ladder)trans-154.1150.8167.100000110V87 V122 L137 L141V87-A101 PolarHBondContact N-O 3.43Å; V87-A101 PolarHBondContact O-N 2.94Å; A101-V122 HydrophobicContact CB-CB 4.38Å; A101-V122 HydrophobicContact CB-CG1 4.41Å; A101-V122 HydrophobicContact CB-CG2 3.93Å; A101-L137 HydrophobicContact CB-CB 3.95Å; A101-L137 HydrophobicContact CB-CD1 4.16Å; A101-L137 HydrophobicContact CB-CD2 4.22Å; A101-L137 HydrophobicContact CB-CG 4.35Å; A101-L141 HydrophobicContact CB-CD1 3.54Å
102T98.9Very high98.2Very high1 Ų160.5 Ų60.51%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-115.8131-177.5-58.50000110.4Y84 V86 I104 V119 E120 E121Y84-T102 HydrophobicContact CD1-CG2 4.46Å; V86-T102 HydrophobicContact CG2-CG2 3.95Å; T102-I104 HydrophobicContact CG2-CD1 4.46Å; T102-I104 HydrophobicContact CG2-CG1 3.85Å; T102-V119 CarbonylContact O-C 3.5Å; T102-V119 WeakPolarHBondContact O-CA 3.37Å; T102-E120 PolarHBondContact N-O 2.89Å; T102-E120 PolarHBondContact O-N 2.94Å; T102-E121 PolarHBondContact OG1-OE2 3.48Å
103L98.9Very high98.2Very high0 Ų059.4 Ų59.40%031%0.314CS..EExtended strand (participates in β ladder)trans-103.9128.5161.6167.270.4000109.5Y85 I105 R118 L141 L144 L148 I153Y85-L103 HydrophobicContact CD2-CD2 4.34Å; Y85-L103 HydrophobicContact CD2-CG 4.34Å; Y85-L103 PolarHBondContact N-O 2.89Å; Y85-L103 PolarHBondContact O-N 2.68Å; L103-I105 HydrophobicContact CD1-CD1 4.2Å; L103-I105 HydrophobicContact CD2-CD1 4.11Å; L103-I105 HydrophobicContact CG-CD1 4.09Å; L103-R118 CarbonylContact C-O 3.59Å; L103-R118 WeakPolarHBondContact CA-O 3.47Å; L103-L141 HydrophobicContact CB-CB 4.21Å; L103-L141 HydrophobicContact CB-CD1 4.14Å; L103-L141 HydrophobicContact CB-CD2 3.8Å; L103-L141 HydrophobicContact CB-CG 4.26Å; L103-L144 HydrophobicContact CD2-CB 4.16Å; L103-L144 HydrophobicContact CD2-CD2 3.99Å; L103-L144 HydrophobicContact CD2-CG 3.93Å; L103-L148 HydrophobicContact CD2-CD1 4.45Å; L103-I153 HydrophobicContact CD1-CD1 3.85Å
104I98.9Very high98.4Very high37 Ų3754.9 Ų54.919%0.1929%0.292CS..EExtended strand (participates in β ladder)trans-113.2133173.6-50.4176.5000109.3N83 Y84 T102 G117 R118 E120N83-I104 WeakPolarHBondContact O-CA 3.37Å; Y84-I104 HydrophobicContact CD1-CD1 4.28Å; Y84-I104 HydrophobicContact CD1-CG1 3.96Å; Y84-I104 HydrophobicContact CE1-CD1 3.72Å; Y84-I104 HydrophobicContact CE1-CG1 3.89Å; Y84-I104 HydrophobicContact CE1-CG2 4.28Å; T102-I104 HydrophobicContact CG2-CD1 4.46Å; T102-I104 HydrophobicContact CG2-CG1 3.85Å; I104-G117 CarbonylContact O-C 3.5Å; I104-G117 WeakPolarHBondContact O-CA 3.39Å; I104-R118 HydrophobicContact CB-CB 4.32Å; I104-R118 PolarHBondContact N-O 3.17Å; I104-R118 PolarHBondContact O-N 3.25Å; I104-E120 HydrophobicContact CD1-CG 3.95Å
105I98.9Very high98.5Very high9 Ų953.4 Ų53.45%0.04628%0.281CS..EExtended strand (participates in β ladder)trans-99.3116.4175.6-56.2-61.3000109.8N83 Y85 L103 K115 L148 C150N83-I105 HydrophobicContact CB-CB 4.26Å; N83-I105 PolarHBondContact O-N 2.92Å; Y85-I105 HydrophobicContact CD2-CG1 4.02Å; Y85-I105 HydrophobicContact CE2-CD1 4.4Å; Y85-I105 HydrophobicContact CE2-CG1 3.48Å; Y85-I105 VanDerWaalsContact CE2-CG1 3.48Å; L103-I105 HydrophobicContact CD1-CD1 4.2Å; L103-I105 HydrophobicContact CD2-CD1 4.11Å; L103-I105 HydrophobicContact CG-CD1 4.09Å; I105-K115 HydrophobicContact CG2-CB 4.03Å; I105-K115 HydrophobicContact CG2-CD 3.96Å; I105-K115 HydrophobicContact CG2-CG 4.15Å; I105-L148 HydrophobicContact CD1-CD1 4Å; I105-L148 HydrophobicContact CG1-CD1 4.22Å; I105-C150 VanDerWaalsContact CD1-SG 3.53Å
106E98.7Very high98.6Very high55 Ų5552.5 Ų52.526%0.25727%0.269SS..EExtended strand (participates in β ladder)trans-102.4124.7177.1-163.4-175129.200109.8K108 K115 R116 R118E106-K108 WeakPolarHBondContact OE1-CE 3.4Å; E106-K108 IonicContact OE1-NZ 2.68Å; E106-K108 PolarHBondContact OE1-NZ 3.42Å; E106-K115 CarbonylContact O-C 3.15Å; E106-K115 WeakPolarHBondContact O-CA 3.42Å; E106-R116 HydrophobicContact CB-CB 4.48Å; E106-R116 PolarHBondContact N-O 3.11Å; E106-R116 PolarHBondContact O-N 3.16Å; E106-R116 IonicContact OE2-CZ 3.66Å; E106-R116 IonicContact OE2-NE 2.79Å; E106-R116 IonicContact OE2-NH2 3.61Å; E106-R116 PolarHBondContact OE2-NH2 3.23Å; E106-R118 IonicContact OE2-CZ 3.84Å; E106-R118 IonicContact OE2-NE 3.45Å; E106-R118 PolarHBondContact OE2-NE 3.09Å; E106-R118 IonicContact OE2-NH2 2.75Å
107H98.6Very high98.6Very high107 Ų10747.9 Ų47.950%0.49525%0.247SC..EExtended strand (participates in β ladder)trans-87.9139.5178-65.1-106.6000110.3N83N83-H107 PolarHBondContact OD1-NE2 3.17Å
108K98.4Very high98.7Very high64 Ų6451.1 Ų51.128%0.27826%0.259SS..  trans-129.4155.1-174.7-61.9-63.9-155.6170.40110.2E106 I110 C113 A114E106-K108 WeakPolarHBondContact OE1-CE 3.4Å; E106-K108 IonicContact OE1-NZ 2.68Å; E106-K108 PolarHBondContact OE1-NZ 3.42Å; K108-I110 HydrophobicContact CB-CG1 3.86Å; K108-I110 HydrophobicContact CG-CG1 4.33Å; K108-C113 CarbonylContact O-C 3.57Å; K108-C113 WeakPolarHBondContact O-CA 3.47Å; K108-A114 WeakPolarHBondContact CB-O 3.3Å; K108-A114 PolarHBondContact N-O 3.05Å; K108-A114 PolarHBondContact O-N 3.49Å
109F98.7Very high98.7Very high190 Ų19051.1 Ų51.183%0.83326%0.259SS*.SBendtrans-86.3-30.5164.7-67.3-63.1000112.4C113F109-C113 PolarHBondContact O-N 2.97Å; F109-C113 VanDerWaalsContact O-N 3.08Å
110I98.6Very high98.7Very high96 Ų9653.7 Ų53.749%0.49227%0.271SS..Hα-helixtrans-65.5162.5176.262.5165.1000111.6K108 S112 C113 A114K108-I110 HydrophobicContact CB-CG1 3.86Å; K108-I110 HydrophobicContact CG-CG1 4.33Å; I110-S112 VanDerWaalsContact C-N 3.29Å; I110-S112 PolarHBondContact O-N 2.87Å; I110-C113 PolarHBondContact O-N 2.8Å; I110-A114 PolarHBondContact O-N 2.93Å
111H97.9Very high98.6Very high121 Ų12158 Ų5856%0.5629%0.291SS*.Hα-helixtrans53.843.1-176.7-59.1-73.4000113.1A114 Y151H111-A114 HydrophobicContact CB-CB 3.74Å; H111-A114 WeakPolarHBondContact O-CB 3.5Å; H111-Y151 AromaticContact CD2-CD2 3.85Å; H111-Y151 AromaticContact CD2-CE1 3.91Å; H111-Y151 AromaticContact CD2-CE2 3.48Å; H111-Y151 VanDerWaalsContact CD2-CE2 3.48Å; H111-Y151 WeakPolarHBondContact CD2-CE2 3.48Å; H111-Y151 AromaticContact CD2-CZ 3.53Å; H111-Y151 AromaticContact NE2-CE2 3.51Å; H111-Y151 AromaticContact NE2-CZ 3.86Å
112S98.1Very high98.6Very high122 Ų12259.2 Ų59.285%0.85330%0.299SS*.Hα-helixtrans61.154.2-179.8-52.50000113I110 A114I110-S112 VanDerWaalsContact C-N 3.29Å; I110-S112 PolarHBondContact O-N 2.87Å; S112-A114 VanDerWaalsContact C-N 3.34Å; S112-A114 PolarHBondContact O-N 3.18Å
113C98Very high98.6Very high92 Ų9259.7 Ų59.762%0.62230%0.301SS*.Hα-helixtrans58.740.3-179.1-60.70000114.1K108 F109 I110K108-C113 CarbonylContact O-C 3.57Å; K108-C113 WeakPolarHBondContact O-CA 3.47Å; F109-C113 PolarHBondContact O-N 2.97Å; F109-C113 VanDerWaalsContact O-N 3.08Å; I110-C113 PolarHBondContact O-N 2.8Å
114A98.6Very high98.6Very high17 Ų1760.7 Ų60.714%0.1431%0.307CS..  trans-72.4171.4-172.900000114.3K108 I110 H111 S112 Y151K108-A114 WeakPolarHBondContact CB-O 3.3Å; K108-A114 PolarHBondContact N-O 3.05Å; K108-A114 PolarHBondContact O-N 3.49Å; I110-A114 PolarHBondContact O-N 2.93Å; H111-A114 HydrophobicContact CB-CB 3.74Å; H111-A114 WeakPolarHBondContact O-CB 3.5Å; S112-A114 VanDerWaalsContact C-N 3.34Å; S112-A114 PolarHBondContact O-N 3.18Å; A114-Y151 HydrophobicContact CB-CD1 3.63Å; A114-Y151 HydrophobicContact CB-CE1 4.45Å; A114-Y151 HydrophobicContact CB-CG 4.23Å
115K98.8Very high98.5Very high74 Ų7459.5 Ų59.532%0.32230%0.303SS..EExtended strand (participates in β ladder)trans-107.3152.1168.8-63.2175.4-171.6178.10111.1I105 E106 C150 Y151I105-K115 HydrophobicContact CG2-CB 4.03Å; I105-K115 HydrophobicContact CG2-CD 3.96Å; I105-K115 HydrophobicContact CG2-CG 4.15Å; E106-K115 CarbonylContact O-C 3.15Å; E106-K115 WeakPolarHBondContact O-CA 3.42Å; K115-C150 CarbonylContact O-C 3.53Å; K115-C150 WeakPolarHBondContact O-CA 3.43Å; K115-Y151 WeakPolarHBondContact O-CD1 3.32Å; K115-Y151 PolarHBondContact O-N 3.17Å
116R98.8Very high98.3Very high9 Ų963.1 Ų63.13%0.03432%0.322CS..EExtended strand (participates in β ladder)trans-133.3134.8176-162.8-174.467.174.46.2110.8E106 Y151 K152 T154E106-R116 HydrophobicContact CB-CB 4.48Å; E106-R116 PolarHBondContact N-O 3.11Å; E106-R116 PolarHBondContact O-N 3.16Å; E106-R116 IonicContact OE2-CZ 3.66Å; E106-R116 IonicContact OE2-NE 2.79Å; E106-R116 IonicContact OE2-NH2 3.61Å; E106-R116 PolarHBondContact OE2-NH2 3.23Å; R116-Y151 HydrophobicContact CB-CD1 4.33Å; R116-Y151 HydrophobicContact CB-CE1 3.8Å; R116-Y151 HydrophobicContact CG-CE1 3.92Å; R116-K152 WeakPolarHBondContact CA-O 3.41Å; R116-K152 HydrophobicContact CG-CG 3.65Å; R116-K152 VanDerWaalsContact CG-O 3.27Å; R116-K152 WeakPolarHBondContact CG-O 3.44Å; R116-T154 PolarHBondContact NH1-OG1 3.2Å
117G98.9Very high97.9Very high0 Ų068.3 Ų68.30%035%0.346CS..EExtended strand (participates in β ladder)trans-86145.6174.800000112.7I104 K152 I153 T154I104-G117 CarbonylContact O-C 3.5Å; I104-G117 WeakPolarHBondContact O-CA 3.39Å; G117-K152 PolarHBondContact N-O 2.7Å; G117-I153 WeakPolarHBondContact O-CA 3.48Å; G117-T154 PolarHBondContact O-N 3.27Å
118R98.9Very high97.6Very high74 Ų7463.6 Ų63.628%0.27933%0.326SS..EExtended strand (participates in β ladder)trans-121.2129.9160.4-66-176.1172.8-81.5-5109.4L103 I104 E106 E120 T154 E156L103-R118 CarbonylContact C-O 3.59Å; L103-R118 WeakPolarHBondContact CA-O 3.47Å; I104-R118 HydrophobicContact CB-CB 4.32Å; I104-R118 PolarHBondContact N-O 3.17Å; I104-R118 PolarHBondContact O-N 3.25Å; E106-R118 IonicContact OE2-CZ 3.84Å; E106-R118 IonicContact OE2-NE 3.45Å; E106-R118 PolarHBondContact OE2-NE 3.09Å; E106-R118 IonicContact OE2-NH2 2.75Å; R118-E120 HydrophobicContact CB-CG 4.25Å; R118-T154 CarbonylContact C-O 3.06Å; R118-T154 WeakPolarHBondContact CA-O 3.27Å; R118-E156 IonicContact NH1-OE1 2.58Å
119V98.9Very high97Very high5 Ų567.9 Ų67.93%0.0334%0.34CS..EExtended strand (participates in β ladder)trans-93.7123166.3-177.60000108.2T102 V122 L141 I153 T154 L155 Y170T102-V119 CarbonylContact O-C 3.5Å; T102-V119 WeakPolarHBondContact O-CA 3.37Å; V119-V122 HydrophobicContact CG1-CG2 3.44Å; V119-V122 VanDerWaalsContact CG1-CG2 3.44Å; V119-L141 HydrophobicContact CG1-CD1 4.15Å; V119-L141 HydrophobicContact CG2-CB 4.49Å; V119-I153 HydrophobicContact CG2-CD1 3.49Å; V119-I153 VanDerWaalsContact CG2-CD1 3.49Å; V119-I153 HydrophobicContact CG2-CG1 3.97Å; V119-T154 PolarHBondContact N-O 3.43Å; V119-L155 HydrophobicContact CB-CB 4.08Å; V119-L155 HydrophobicContact CB-CD2 4.08Å; V119-L155 HydrophobicContact CG2-CD2 4.44Å; V119-L155 WeakPolarHBondContact O-CB 2.95Å; V119-Y170 WeakPolarHBondContact CG2-OH 3.38Å
120E98.8Very high96.4Very high55 Ų5562.6 Ų62.626%0.25734%0.339SS..EExtended strand (participates in β ladder)trans-128.7161.7-177.5-62.9-63.6161.400110.2T102 I104 R118 V122T102-E120 PolarHBondContact N-O 2.89Å; T102-E120 PolarHBondContact O-N 2.94Å; I104-E120 HydrophobicContact CD1-CG 3.95Å; R118-E120 HydrophobicContact CB-CG 4.25Å; E120-V122 VanDerWaalsContact C-N 3.28Å; E120-V122 PolarHBondContact O-N 2.85Å; E120-V122 VanDerWaalsContact O-N 3.11Å
121E98.2Very high96.1Very high90 Ų9063 Ų6342%0.42134%0.337SS..EExtended strand (participates in β ladder)trans54.936.6164.8-59168.5151.900114.9L57 L60 T102 V123L57-E121 HydrophobicContact CD2-CB 4.38Å; L60-E121 HydrophobicContact CD2-CB 4.41Å; T102-E121 PolarHBondContact OG1-OE2 3.48Å; E121-V123 PolarHBondContact O-N 2.67Å
122V98.6Very high96Very high26 Ų2659.1 Ų59.116%0.15832%0.319CS..EExtended strand (participates in β ladder)trans-75.2115.2178.4-174.30000110.2A101 V119 E120 V138A101-V122 HydrophobicContact CB-CB 4.38Å; A101-V122 HydrophobicContact CB-CG1 4.41Å; A101-V122 HydrophobicContact CB-CG2 3.93Å; V119-V122 HydrophobicContact CG1-CG2 3.44Å; V119-V122 VanDerWaalsContact CG1-CG2 3.44Å; E120-V122 VanDerWaalsContact C-N 3.28Å; E120-V122 PolarHBondContact O-N 2.85Å; E120-V122 VanDerWaalsContact O-N 3.11Å; V122-V138 HydrophobicContact CG1-CG2 4.07Å; V122-V138 HydrophobicContact CG2-CG2 4.29Å
123V98.4Very high96Very high10 Ų1053.4 Ų53.46%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-148.3143.5177.357.60000111.7V56 L57 Q59 L60 A99 T100 E121V56-V123 HydrophobicContact CG1-CG1 3.85Å; V56-V123 HydrophobicContact CG1-CG2 4.27Å; V56-V123 WeakPolarHBondContact O-CG2 3.25Å; L57-V123 HydrophobicContact CD2-CG1 4.16Å; Q59-V123 HydrophobicContact CB-CG2 4.18Å; L60-V123 HydrophobicContact CB-CB 3.94Å; L60-V123 HydrophobicContact CB-CG1 4.35Å; L60-V123 HydrophobicContact CB-CG2 4.01Å; L60-V123 HydrophobicContact CD2-CB 4.32Å; A99-V123 CarbonylContact C-O 3.54Å; A99-V123 WeakPolarHBondContact CA-O 3.5Å; T100-V123 HydrophobicContact CG2-CG1 3.5Å; T100-V123 PolarHBondContact N-O 2.87Å; T100-V123 PolarHBondContact O-N 3.41Å; E121-V123 PolarHBondContact O-N 2.67Å
124V98.3Very high96Very high21 Ų2149.7 Ų49.713%0.12726%0.256CS..EExtended strand (participates in β ladder)trans-124.4131172.6-177.30000106.7A99 D126 C128 R129 L133A99-V124 HydrophobicContact CB-CB 4.3Å; A99-V124 HydrophobicContact CB-CG1 4.24Å; A99-V124 HydrophobicContact CB-CG2 4Å; V124-D126 PolarHBondContact O-N 2.71Å; V124-C128 HydrophobicContact CG1-CB 4.29Å; V124-R129 HydrophobicContact CG1-CG 4.44Å; V124-R129 PolarHBondContact O-NE 2.84Å; V124-L133 HydrophobicContact CG1-CB 4.23Å; V124-L133 HydrophobicContact CG1-CD1 4.31Å; V124-L133 HydrophobicContact CG2-CB 4.21Å
125S97.5Very high96Very high13 Ų1350.3 Ų50.39%0.09126%0.256CS..  trans-48.4131.4172.3176.80000109.7I98 E127 C128 R129I98-S125 VanDerWaalsContact O-CB 3.24Å; I98-S125 WeakPolarHBondContact O-CB 3.41Å; I98-S125 PolarHBondContact O-N 3.06Å; S125-E127 VanDerWaalsContact C-N 3.26Å; S125-E127 PolarHBondContact O-N 2.93Å; S125-C128 CarbonylContact O-C 3.55Å; S125-C128 WeakPolarHBondContact O-CA 3.41Å; S125-C128 PolarHBondContact O-N 3.03Å; S125-R129 PolarHBondContact O-N 2.86Å
126D94.4Very high96Very high85 Ų8546.8 Ų46.846%0.45524%0.24SC..G310 helixtrans-52.3-40.3179.556.8-12.7000113.6Q59 V124 C128 R129Q59-D126 PolarHBondContact NE2-OD1 3.46Å; Q59-D126 PolarHBondContact OE1-OD1 3.44Å; V124-D126 PolarHBondContact O-N 2.71Å; D126-C128 PolarHBondContact O-N 2.95Å; D126-R129 PolarHBondContact O-N 3.02Å
127E91.1Very high96Very high163 Ų16346.4 Ų46.476%0.76224%0.239SC*.G310 helixtrans-63.5-20.1174.2-61.6-178.4176.900113.6S125S125-E127 VanDerWaalsContact C-N 3.26Å; S125-E127 PolarHBondContact O-N 2.93Å
128C90.7Very high96Very high9 Ų946.4 Ų46.46%0.06124%0.239CC..G310 helixtrans-1129.4-178-70.80000113.7I98 V124 S125 D126 K131 L133I98-C128 HydrophobicContact CB-CB 4.34Å; I98-C128 HydrophobicContact CD1-CB 4.32Å; V124-C128 HydrophobicContact CG1-CB 4.29Å; S125-C128 CarbonylContact O-C 3.55Å; S125-C128 WeakPolarHBondContact O-CA 3.41Å; S125-C128 PolarHBondContact O-N 3.03Å; D126-C128 PolarHBondContact O-N 2.95Å; C128-K131 HydrophobicContact CB-CD 4.24Å; C128-K131 WeakPolarHBondContact O-CB 3.4Å; C128-L133 HydrophobicContact CB-CD1 4.39Å
129R86Confident96Very high154 Ų15443 Ų4358%0.58123%0.226SC*.THydrogen-bonded Turntrans-66.1154.3174.9-70.9176.5-171163.57.4111V124 S125 D126 K131V124-R129 HydrophobicContact CG1-CG 4.44Å; V124-R129 PolarHBondContact O-NE 2.84Å; S125-R129 PolarHBondContact O-N 2.86Å; D126-R129 PolarHBondContact O-N 3.02Å; R129-K131 PolarHBondContact O-N 2.9Å
130G87.3Confident96Very high79 Ų7942.7 Ų42.781%0.81423%0.225SC*.THydrogen-bonded Turntrans82.8-17.6-175.500000114.8Q132G130-Q132 PolarHBondContact O-N 2.82Å
131K91.8Very high96Very high104 Ų10440.1 Ų40.145%0.45221%0.212SC..SBendtrans-76.517.8176.4-59.4-177.6-179.2177.30114.8C128 R129 L133C128-K131 HydrophobicContact CB-CD 4.24Å; C128-K131 WeakPolarHBondContact O-CB 3.4Å; R129-K131 PolarHBondContact O-N 2.9Å; K131-L133 HydrophobicContact CB-CG 4.14Å; K131-L133 PolarHBondContact O-N 3.2Å
132Q96.9Very high96Very high40 Ų4036.3 Ų36.319%0.18720%0.195CC..SBendtrans62.53.5178.7-48.2-168.6-36.400116.8F26 S27 P28 I30 G130 G134 K135 L136F26-Q132 HydrophobicContact CD1-CB 4.12Å; F26-Q132 HydrophobicContact CE1-CB 4.4Å; S27-Q132 VanDerWaalsContact O-CD 3.27Å; S27-Q132 PolarHBondContact O-NE2 3.41Å; S27-Q132 PolarHBondContact O-OE1 2.82Å; P28-Q132 PolarHBondContact O-OE1 3.48Å; I30-Q132 HydrophobicContact CD1-CB 3.85Å; G130-Q132 PolarHBondContact O-N 2.82Å; Q132-G134 VanDerWaalsContact C-N 3.35Å; Q132-G134 PolarHBondContact O-N 2.93Å; Q132-K135 WeakPolarHBondContact O-CA 3.04Å; Q132-K135 WeakPolarHBondContact O-CB 3.46Å; Q132-K135 PolarHBondContact O-N 3.04Å; Q132-L136 PolarHBondContact O-N 3.19Å
133L98Very high96Very high2 Ų235.8 Ų35.81%0.0119%0.192CC..Hα-helixtrans-59.3-37.6-176.3-56.3-177.1000114.3L39 V89 I98 A99 V124 C128 K131 K135 L136 L137L39-L133 HydrophobicContact CD1-CD1 4.42Å; L39-L133 HydrophobicContact CD1-CD2 3.73Å; V89-L133 HydrophobicContact CG1-CD1 4.29Å; V89-L133 HydrophobicContact CG1-CD2 4.23Å; I98-L133 HydrophobicContact CD1-CD1 3.53Å; I98-L133 HydrophobicContact CG1-CD1 4.08Å; A99-L133 HydrophobicContact CB-CB 4.23Å; A99-L133 HydrophobicContact CB-CD1 4.29Å; V124-L133 HydrophobicContact CG1-CB 4.23Å; V124-L133 HydrophobicContact CG1-CD1 4.31Å; V124-L133 HydrophobicContact CG2-CB 4.21Å; C128-L133 HydrophobicContact CB-CD1 4.39Å; K131-L133 HydrophobicContact CB-CG 4.14Å; K131-L133 PolarHBondContact O-N 3.2Å; L133-K135 VanDerWaalsContact C-N 3.3Å; L133-K135 PolarHBondContact O-N 3.46Å; L133-L136 WeakPolarHBondContact O-CB 3.49Å; L133-L136 PolarHBondContact O-N 2.88Å; L133-L137 WeakPolarHBondContact O-CG 3.37Å; L133-L137 PolarHBondContact O-N 3.43Å
134G98Very high96Very high13 Ų1335.3 Ų35.313%0.13419%0.189CC..Hα-helixtrans-61.9-39.3173.900000112Q132 V138Q132-G134 VanDerWaalsContact C-N 3.35Å; Q132-G134 PolarHBondContact O-N 2.93Å; G134-V138 WeakPolarHBondContact O-CG2 3.36Å; G134-V138 PolarHBondContact O-N 3.47Å; G134-V138 VanDerWaalsContact O-N 3.14Å
135K98.1Very high96Very high31 Ų3134.4 Ų34.414%0.13518%0.183CC..Hα-helixtrans-66-42.3175-63.6-171.8-63.4172.20111V24 S25 F26 Q132 L133 S139 F164 F168V24-K135 HydrophobicContact CG1-CB 4.4Å; V24-K135 HydrophobicContact CG1-CD 3.91Å; V24-K135 HydrophobicContact CG1-CG 4.5Å; S25-K135 PolarHBondContact O-NZ 3.3Å; F26-K135 HydrophobicContact CD1-CB 4.49Å; F26-K135 HydrophobicContact CE1-CB 3.53Å; F26-K135 HydrophobicContact CZ-CB 3.79Å; Q132-K135 WeakPolarHBondContact O-CA 3.04Å; Q132-K135 WeakPolarHBondContact O-CB 3.46Å; Q132-K135 PolarHBondContact O-N 3.04Å; L133-K135 VanDerWaalsContact C-N 3.3Å; L133-K135 PolarHBondContact O-N 3.46Å; K135-S139 VanDerWaalsContact O-CB 3.28Å; K135-S139 WeakPolarHBondContact O-CB 3.33Å; K135-S139 PolarHBondContact O-N 3.01Å; K135-S139 PolarHBondContact O-OG 3.15Å; K135-F164 HydrophobicContact CG-CE2 3.94Å; K135-F168 HydrophobicContact CB-CE1 4.09Å; K135-F168 HydrophobicContact CB-CZ 4.1Å; K135-F168 HydrophobicContact CG-CE1 4.5Å; K135-F168 HydrophobicContact CG-CZ 4.13Å; K135-F168 WeakPolarHBondContact O-CE1 3.35Å
136L98.6Very high96Very high0 Ų040 Ų400%021%0.206CC..Hα-helixtrans-60.2-49.817917765.3000111.1W19 F26 I30 P35 L41 Q132 L133 T140W19-L136 HydrophobicContact CH2-CD1 3.84Å; W19-L136 HydrophobicContact CZ2-CD1 3.92Å; F26-L136 HydrophobicContact CE1-CB 4.23Å; I30-L136 HydrophobicContact CD1-CB 4.03Å; I30-L136 HydrophobicContact CD1-CD2 4.24Å; P35-L136 HydrophobicContact CB-CD2 3.53Å; L41-L136 HydrophobicContact CD1-CD1 4.31Å; L41-L136 HydrophobicContact CD1-CD2 3.64Å; L41-L136 HydrophobicContact CD1-CG 3.64Å; Q132-L136 PolarHBondContact O-N 3.19Å; L133-L136 WeakPolarHBondContact O-CB 3.49Å; L133-L136 PolarHBondContact O-N 2.88Å; L136-T140 VanDerWaalsContact O-CB 3.26Å; L136-T140 WeakPolarHBondContact O-CB 3.35Å; L136-T140 PolarHBondContact O-N 2.97Å; L136-T140 PolarHBondContact O-OG1 3.38Å
137L98.8Very high96.2Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-59.5-53.7178.9-75.2168.4000111.8L41 V87 V89 A99 A101 L133 S139 T140 L141L41-L137 HydrophobicContact CD1-CD2 4.32Å; V87-L137 HydrophobicContact CB-CD2 4.19Å; V87-L137 HydrophobicContact CG1-CD2 3.76Å; V89-L137 HydrophobicContact CG2-CD2 4.2Å; V89-L137 HydrophobicContact CG2-CG 4.36Å; A99-L137 HydrophobicContact CB-CD1 3.69Å; A101-L137 HydrophobicContact CB-CB 3.95Å; A101-L137 HydrophobicContact CB-CD1 4.16Å; A101-L137 HydrophobicContact CB-CD2 4.22Å; A101-L137 HydrophobicContact CB-CG 4.35Å; L133-L137 WeakPolarHBondContact O-CG 3.37Å; L133-L137 PolarHBondContact O-N 3.43Å; L137-S139 PolarHBondContact O-N 3.22Å; L137-T140 WeakPolarHBondContact O-CB 3.32Å; L137-T140 PolarHBondContact O-N 3.41Å; L137-L141 WeakPolarHBondContact O-CG 3.34Å; L137-L141 PolarHBondContact O-N 3.24Å
138V98.7Very high96.5Very high0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-66.7-37.6-175.7179.10000112V122 G134 T142 F164 Y165 F168 Y170V122-V138 HydrophobicContact CG1-CG2 4.07Å; V122-V138 HydrophobicContact CG2-CG2 4.29Å; G134-V138 WeakPolarHBondContact O-CG2 3.36Å; G134-V138 PolarHBondContact O-N 3.47Å; G134-V138 VanDerWaalsContact O-N 3.14Å; V138-T142 VanDerWaalsContact O-CB 3.25Å; V138-T142 WeakPolarHBondContact O-CB 3.33Å; V138-T142 PolarHBondContact O-N 3.4Å; V138-T142 PolarHBondContact O-OG1 2.91Å; V138-F164 HydrophobicContact CG2-CE1 4.06Å; V138-F164 HydrophobicContact CG2-CZ 4.44Å; V138-Y165 HydrophobicContact CG1-CD1 4.22Å; V138-Y165 HydrophobicContact CG1-CE1 4.44Å; V138-Y165 HydrophobicContact CG2-CE1 4.05Å; V138-F168 HydrophobicContact CB-CD1 4.25Å; V138-F168 HydrophobicContact CB-CD2 4.12Å; V138-F168 HydrophobicContact CB-CE1 4.08Å; V138-F168 HydrophobicContact CB-CE2 3.92Å; V138-F168 HydrophobicContact CB-CG 4.31Å; V138-F168 HydrophobicContact CB-CZ 3.93Å; V138-F168 HydrophobicContact CG1-CB 4.28Å; V138-F168 HydrophobicContact CG1-CD1 4.03Å; V138-F168 HydrophobicContact CG1-CD2 3.4Å; V138-F168 VanDerWaalsContact CG1-CD2 3.4Å; V138-F168 HydrophobicContact CG1-CE1 4.29Å; V138-F168 HydrophobicContact CG1-CE2 3.69Å; V138-F168 HydrophobicContact CG1-CG 3.63Å; V138-F168 HydrophobicContact CG1-CZ 4.15Å; V138-Y170 HydrophobicContact CG1-CE2 4.17Å
139S98.6Very high96.9Very high2 Ų239.3 Ų39.31%0.01420%0.203CC..Hα-helixtrans-63.2-46.4174.6-54.10000110.9W19 K135 L137 T142 L143 F168W19-S139 VanDerWaalsContact CH2-CB 3.47Å; K135-S139 VanDerWaalsContact O-CB 3.28Å; K135-S139 WeakPolarHBondContact O-CB 3.33Å; K135-S139 PolarHBondContact O-N 3.01Å; K135-S139 PolarHBondContact O-OG 3.15Å; L137-S139 PolarHBondContact O-N 3.22Å; S139-T142 PolarHBondContact O-N 2.93Å; S139-L143 WeakPolarHBondContact O-CG 3.44Å; S139-L143 PolarHBondContact O-N 3.34Å; S139-F168 WeakPolarHBondContact OG-CD1 3.36Å; S139-F168 WeakPolarHBondContact OG-CE1 3.43Å
140T98.8Very high97.5Very high0 Ų032.9 Ų32.90%018%0.181CC..Hα-helixtrans-56.2-53.1177-60.70000111.3L14 L17 P32 L41 L136 L137 T142 L143 L144L14-T140 HydrophobicContact CD2-CG2 3.72Å; L17-T140 HydrophobicContact CD1-CG2 3.68Å; P32-T140 HydrophobicContact CG-CG2 4.42Å; L41-T140 HydrophobicContact CD2-CG2 4.25Å; L136-T140 VanDerWaalsContact O-CB 3.26Å; L136-T140 WeakPolarHBondContact O-CB 3.35Å; L136-T140 PolarHBondContact O-N 2.97Å; L136-T140 PolarHBondContact O-OG1 3.38Å; L137-T140 WeakPolarHBondContact O-CB 3.32Å; L137-T140 PolarHBondContact O-N 3.41Å; T140-T142 VanDerWaalsContact C-N 3.34Å; T140-T142 PolarHBondContact O-N 3.45Å; T140-L143 PolarHBondContact O-N 3.18Å; T140-L144 VanDerWaalsContact O-CB 3.3Å; T140-L144 WeakPolarHBondContact O-CB 3.48Å; T140-L144 PolarHBondContact O-N 2.82Å
141L98.8Very high98.1Very high0 Ų033 Ų330%016%0.158CC..Hα-helixtrans-66.1-36.6-178.5-64.6-172.1000112.5V87 A101 L103 V119 L137 L144 S145V87-L141 HydrophobicContact CB-CD2 4.27Å; V87-L141 HydrophobicContact CG2-CD2 3.64Å; A101-L141 HydrophobicContact CB-CD1 3.54Å; L103-L141 HydrophobicContact CB-CB 4.21Å; L103-L141 HydrophobicContact CB-CD1 4.14Å; L103-L141 HydrophobicContact CB-CD2 3.8Å; L103-L141 HydrophobicContact CB-CG 4.26Å; V119-L141 HydrophobicContact CG1-CD1 4.15Å; V119-L141 HydrophobicContact CG2-CB 4.49Å; L137-L141 WeakPolarHBondContact O-CG 3.34Å; L137-L141 PolarHBondContact O-N 3.24Å; L141-L144 PolarHBondContact O-N 3.44Å; L141-S145 PolarHBondContact O-N 2.75Å
142T98.6Very high98.4Very high10 Ų1032 Ų326%0.06115%0.153CC..Hα-helixtrans-64.5-46.7177.3-58.50000110.9V138 S139 T140 S145 K146 I153 Y170V138-T142 VanDerWaalsContact O-CB 3.25Å; V138-T142 WeakPolarHBondContact O-CB 3.33Å; V138-T142 PolarHBondContact O-N 3.4Å; V138-T142 PolarHBondContact O-OG1 2.91Å; S139-T142 PolarHBondContact O-N 2.93Å; T140-T142 VanDerWaalsContact C-N 3.34Å; T140-T142 PolarHBondContact O-N 3.45Å; T142-S145 PolarHBondContact O-N 3.17Å; T142-S145 PolarHBondContact O-OG 2.72Å; T142-K146 PolarHBondContact O-N 2.73Å; T142-I153 HydrophobicContact CG2-CG2 4.46Å; T142-Y170 HydrophobicContact CG2-CE2 4.37Å; T142-Y170 WeakPolarHBondContact OG1-CE2 3.31Å; T142-Y170 PolarHBondContact OG1-OH 2.84Å
143L98.4Very high98.5Very high15 Ų1531.6 Ų31.68%0.07915%0.152CC..Hα-helixtrans-66.2-40.2175.6-69.8-179.8000112.4L17 W19 S21 N22 S139 T140 S145 K146 K147L17-L143 HydrophobicContact CD1-CB 4.41Å; L17-L143 HydrophobicContact CD2-CB 4.23Å; W19-L143 HydrophobicContact CE3-CD1 3.63Å; W19-L143 HydrophobicContact CZ3-CD1 3.99Å; S21-L143 VanDerWaalsContact OG-CD2 3.25Å; S21-L143 WeakPolarHBondContact OG-CD2 3.35Å; N22-L143 HydrophobicContact CB-CD1 4.18Å; S139-L143 WeakPolarHBondContact O-CG 3.44Å; S139-L143 PolarHBondContact O-N 3.34Å; T140-L143 PolarHBondContact O-N 3.18Å; L143-S145 VanDerWaalsContact C-N 3.31Å; L143-S145 PolarHBondContact O-N 2.93Å; L143-K146 WeakPolarHBondContact O-CB 3.39Å; L143-K146 PolarHBondContact O-N 2.87Å; L143-K146 VanDerWaalsContact O-N 3.17Å; L143-K147 PolarHBondContact O-N 3.39Å
144L98.7Very high98.5Very high0 Ų033.3 Ų33.30%016%0.163CC..Hα-helixtrans-59.8-43176.2-17958.3000111.2L13 L14 L17 Y85 L103 T140 L141 K146 K147 L148L13-L144 HydrophobicContact CB-CD1 4.01Å; L14-L144 HydrophobicContact CD2-CD2 4.15Å; L17-L144 HydrophobicContact CD2-CB 4.07Å; L17-L144 HydrophobicContact CD2-CD1 4.26Å; Y85-L144 HydrophobicContact CD1-CD2 3.83Å; Y85-L144 HydrophobicContact CE1-CD2 4.46Å; Y85-L144 HydrophobicContact CG-CD2 4.11Å; L103-L144 HydrophobicContact CD2-CB 4.16Å; L103-L144 HydrophobicContact CD2-CD2 3.99Å; L103-L144 HydrophobicContact CD2-CG 3.93Å; T140-L144 VanDerWaalsContact O-CB 3.3Å; T140-L144 WeakPolarHBondContact O-CB 3.48Å; T140-L144 PolarHBondContact O-N 2.82Å; L141-L144 PolarHBondContact O-N 3.44Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3.29Å; L144-K147 PolarHBondContact O-N 2.92Å; L144-L148 HydrophobicContact CD1-CD1 3.96Å; L144-L148 HydrophobicContact CD1-CG 4.08Å; L144-L148 HydrophobicContact CG-CD1 3.87Å; L144-L148 HydrophobicContact CG-CG 4.4Å; L144-L148 WeakPolarHBondContact O-CB 3.49Å; L144-L148 VanDerWaalsContact O-CG 3.24Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.45Å
145S98.6Very high98.5Very high2 Ų234 Ų341%0.01416%0.164CC..Hα-helixtrans-60.9-37.4176.778.80000113.1L141 T142 L143 L148 N149 C150 I153L141-S145 PolarHBondContact O-N 2.75Å; T142-S145 PolarHBondContact O-N 3.17Å; T142-S145 PolarHBondContact O-OG 2.72Å; L143-S145 VanDerWaalsContact C-N 3.31Å; L143-S145 PolarHBondContact O-N 2.93Å; S145-L148 PolarHBondContact O-N 2.93Å; S145-N149 PolarHBondContact O-N 2.82Å; S145-C150 VanDerWaalsContact O-CB 3.26Å; S145-C150 WeakPolarHBondContact O-CB 3.42Å; S145-C150 PolarHBondContact O-N 2.88Å; S145-C150 PolarHBondContact O-SG 3.22Å; S145-C150 VanDerWaalsContact O-SG 3.39Å; S145-I153 WeakPolarHBondContact OG-CD1 3.32Å
146K97.9Very high98.5Very high132 Ų13236.3 Ų36.357%0.57417%0.174SC*.Hα-helixtrans-66.8-47.5174.2-68.7179.7-179.71790111.1T142 L143 L144 L148 N149T142-K146 PolarHBondContact O-N 2.73Å; L143-K146 WeakPolarHBondContact O-CB 3.39Å; L143-K146 PolarHBondContact O-N 2.87Å; L143-K146 VanDerWaalsContact O-N 3.17Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3.29Å; K146-L148 PolarHBondContact O-N 3.38Å; K146-N149 WeakPolarHBondContact O-CA 3.47Å; K146-N149 PolarHBondContact O-N 3.49Å
147K98.1Very high98.5Very high82 Ų8238.6 Ų38.636%0.35719%0.19SC..Hα-helixtrans-57.2-33.7175.1179.1172.4170.4126.80112E16 L17 L143 L144 N149E16-K147 PolarHBondContact O-NZ 2.8Å; E16-K147 IonicContact OE2-NZ 3.23Å; E16-K147 PolarHBondContact OE2-NZ 3.1Å; L17-K147 HydrophobicContact CD2-CD 4.13Å; L143-K147 PolarHBondContact O-N 3.39Å; L144-K147 PolarHBondContact O-N 2.92Å; K147-N149 PolarHBondContact O-N 3.21Å
148L98.3Very high98.4Very high26 Ų2640.7 Ų40.714%0.13621%0.207CC..THydrogen-bonded Turntrans-83.39.3176.9-64.2172.9000114.1Y85 L103 I105 L144 S145 K146Y85-L148 HydrophobicContact CD2-CD1 4.42Å; Y85-L148 HydrophobicContact CE1-CD1 3.97Å; Y85-L148 HydrophobicContact CE2-CD1 3.75Å; Y85-L148 VanDerWaalsContact CZ-CD1 3.46Å; Y85-L148 WeakPolarHBondContact OH-CD1 3.24Å; L103-L148 HydrophobicContact CD2-CD1 4.45Å; I105-L148 HydrophobicContact CD1-CD1 4Å; I105-L148 HydrophobicContact CG1-CD1 4.22Å; L144-L148 HydrophobicContact CD1-CD1 3.96Å; L144-L148 HydrophobicContact CD1-CG 4.08Å; L144-L148 HydrophobicContact CG-CD1 3.87Å; L144-L148 HydrophobicContact CG-CG 4.4Å; L144-L148 WeakPolarHBondContact O-CB 3.49Å; L144-L148 VanDerWaalsContact O-CG 3.24Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.45Å; S145-L148 PolarHBondContact O-N 2.93Å; K146-L148 PolarHBondContact O-N 3.38Å
149N98.3Very high98.3Very high134 Ų13446.3 Ų46.372%0.71724%0.244SC*.THydrogen-bonded Turntrans61.639.3178.5-57.4-58.8000114.1S145 K146 K147S145-N149 PolarHBondContact O-N 2.82Å; K146-N149 WeakPolarHBondContact O-CA 3.47Å; K146-N149 PolarHBondContact O-N 3.49Å; K147-N149 PolarHBondContact O-N 3.21Å
150C98.8Very high98.2Very high18 Ų1854.9 Ų54.912%0.12228%0.281CS..EExtended strand (participates in β ladder)trans-71.8133.4168.7-67.20000110.9I105 K115 S145 K152I105-C150 VanDerWaalsContact CD1-SG 3.53Å; K115-C150 CarbonylContact O-C 3.53Å; K115-C150 WeakPolarHBondContact O-CA 3.43Å; S145-C150 VanDerWaalsContact O-CB 3.26Å; S145-C150 WeakPolarHBondContact O-CB 3.42Å; S145-C150 PolarHBondContact O-N 2.88Å; S145-C150 PolarHBondContact O-SG 3.22Å; S145-C150 VanDerWaalsContact O-SG 3.39Å; C150-K152 VanDerWaalsContact C-N 3.34Å
151Y98.7Very high98.1Very high81 Ų8158 Ų5832%0.31830%0.298SS..EExtended strand (participates in β ladder)trans-73.3-28.6176.483.7-91.6000112.4H111 A114 K115 R116H111-Y151 AromaticContact CD2-CD2 3.85Å; H111-Y151 AromaticContact CD2-CE1 3.91Å; H111-Y151 AromaticContact CD2-CE2 3.48Å; H111-Y151 VanDerWaalsContact CD2-CE2 3.48Å; H111-Y151 WeakPolarHBondContact CD2-CE2 3.48Å; H111-Y151 AromaticContact CD2-CZ 3.53Å; H111-Y151 AromaticContact NE2-CE2 3.51Å; H111-Y151 AromaticContact NE2-CZ 3.86Å; A114-Y151 HydrophobicContact CB-CD1 3.63Å; A114-Y151 HydrophobicContact CB-CE1 4.45Å; A114-Y151 HydrophobicContact CB-CG 4.23Å; K115-Y151 WeakPolarHBondContact O-CD1 3.32Å; K115-Y151 PolarHBondContact O-N 3.17Å; R116-Y151 HydrophobicContact CB-CD1 4.33Å; R116-Y151 HydrophobicContact CB-CE1 3.8Å; R116-Y151 HydrophobicContact CG-CE1 3.92Å
152K98.5Very high98.1Very high84 Ų8459.9 Ų59.937%0.36531%0.309SS..EExtended strand (participates in β ladder)trans-152.4163.3169.175.7-179.2-177-1780111.1R116 G117 C150 T154R116-K152 WeakPolarHBondContact CA-O 3.41Å; R116-K152 HydrophobicContact CG-CG 3.65Å; R116-K152 VanDerWaalsContact CG-O 3.27Å; R116-K152 WeakPolarHBondContact CG-O 3.44Å; G117-K152 PolarHBondContact N-O 2.7Å; C150-K152 VanDerWaalsContact C-N 3.34Å; K152-T154 HydrophobicContact CD-CG2 4.37Å; K152-T154 HydrophobicContact CG-CG2 4.48Å
153I98.8Very high98Very high31 Ų3162.4 Ų62.416%0.15933%0.331CS..EExtended strand (participates in β ladder)trans-126.7142.7170.6-175160.6000109.2L103 G117 V119 T142 S145 Y170L103-I153 HydrophobicContact CD1-CD1 3.85Å; G117-I153 WeakPolarHBondContact O-CA 3.48Å; V119-I153 HydrophobicContact CG2-CD1 3.49Å; V119-I153 VanDerWaalsContact CG2-CD1 3.49Å; V119-I153 HydrophobicContact CG2-CG1 3.97Å; T142-I153 HydrophobicContact CG2-CG2 4.46Å; S145-I153 WeakPolarHBondContact OG-CD1 3.32Å; I153-Y170 WeakPolarHBondContact CD1-OH 2.92Å; I153-Y170 HydrophobicContact CG1-CE1 4.31Å; I153-Y170 WeakPolarHBondContact CG1-OH 3.48Å; I153-Y170 HydrophobicContact CG2-CE1 3.92Å
154T98.8Very high98Very high38 Ų3864.5 Ų64.523%0.23334%0.339CS..EExtended strand (participates in β ladder)trans-135.7164.9178.2730000111.2R116 G117 R118 V119 K152R116-T154 PolarHBondContact NH1-OG1 3.2Å; G117-T154 PolarHBondContact O-N 3.27Å; R118-T154 CarbonylContact C-O 3.06Å; R118-T154 WeakPolarHBondContact CA-O 3.27Å; V119-T154 PolarHBondContact N-O 3.43Å; K152-T154 HydrophobicContact CD-CG2 4.37Å; K152-T154 HydrophobicContact CG-CG2 4.48Å
155L98.6Very high98Very high29 Ų2965.7 Ų65.715%0.15234%0.344CS..  trans-156.5159.4170.658.589000108.7V119 C157 Y165 Y170V119-L155 HydrophobicContact CB-CB 4.08Å; V119-L155 HydrophobicContact CB-CD2 4.08Å; V119-L155 HydrophobicContact CG2-CD2 4.44Å; V119-L155 WeakPolarHBondContact O-CB 2.95Å; L155-C157 HydrophobicContact CD1-CB 4.04Å; L155-Y165 HydrophobicContact CD1-CD1 3.88Å; L155-Y165 HydrophobicContact CD1-CD2 3.85Å; L155-Y165 HydrophobicContact CD1-CE1 4.01Å; L155-Y165 HydrophobicContact CD1-CE2 4Å; L155-Y165 HydrophobicContact CD1-CG 3.78Å; L155-Y165 HydrophobicContact CD2-CD1 3.31Å; L155-Y165 HydrophobicContact CD2-CE1 3.51Å; L155-Y165 HydrophobicContact CD2-CG 3.99Å; L155-Y165 HydrophobicContact CG-CD1 4.26Å; L155-Y165 HydrophobicContact CG-CE1 4.42Å; L155-Y170 HydrophobicContact CD2-CD1 3.83Å; L155-Y170 HydrophobicContact CD2-CE1 3.53Å; L155-Y170 HydrophobicContact CD2-CE2 4.28Å; L155-Y170 HydrophobicContact CD2-CG 4.33Å; L155-Y170 HydrophobicContact CG-CD1 4.06Å; L155-Y170 HydrophobicContact CG-CE1 4.01Å
156E98Very high97.9Very high78 Ų7870.6 Ų70.636%0.36437%0.366SS..  trans-107.3141.4167.6-59.487-159.800110.2R118 Y177R118-E156 IonicContact NH1-OE1 2.58Å; E156-Y177 HydrophobicContact CG-CD2 3.64Å; E156-Y177 HydrophobicContact CG-CE2 3.85Å; E156-Y177 HydrophobicContact CG-CG 4.1Å
157C97.4Very high97.9Very high48 Ų4869.8 Ų69.832%0.32436%0.363SS..  trans-148.3157.8176.7730000112.4L155 N161 Y165L155-C157 HydrophobicContact CD1-CB 4.04Å; C157-N161 HydrophobicContact CB-CB 4.2Å; C157-Y165 HydrophobicContact CB-CD2 3.82Å; C157-Y165 HydrophobicContact CB-CE2 3.41Å; C157-Y165 VanDerWaalsContact CB-CE2 3.41Å; C157-Y165 VanDerWaalsContact SG-CD2 3.58Å
158A96.4Very high97.9Very high44 Ų4466.9 Ų66.936%0.36435%0.351SS..  trans-63.7148.4172.300000111K160 N161A158-K160 HydrophobicContact CB-CG 4.22Å; A158-K160 PolarHBondContact O-N 3.47Å; A158-N161 WeakPolarHBondContact O-CB 3.27Å; A158-N161 PolarHBondContact O-N 2.86Å
159P96.9Very high97.8Very high118 Ų11868.8 Ų68.877%0.76638%0.376SS*.G310 helixtrans-51.2-38.8-176.9-30.535.7000114.5N161 V162P159-N161 PolarHBondContact O-N 2.92Å; P159-N161 VanDerWaalsContact O-N 3.13Å; P159-V162 WeakPolarHBondContact O-CB 3.44Å; P159-V162 WeakPolarHBondContact O-CG2 3.37Å; P159-V162 PolarHBondContact O-N 3.37Å
160K97.3Very high97.8Very high182 Ų18263.7 Ų63.779%0.79135%0.347SS*.G310 helixtrans-60.8-20.8177.465.1177.8-177.4-178.30114.6A158A158-K160 HydrophobicContact CB-CG 4.22Å; A158-K160 PolarHBondContact O-N 3.47Å
161N97Very high97.8Very high66 Ų6668.8 Ų68.835%0.35338%0.378SS..G310 helixtrans-98.5-5.7-177.8-65.6-16.7000113C157 A158 P159 A163 F164 Y165C157-N161 HydrophobicContact CB-CB 4.2Å; A158-N161 WeakPolarHBondContact O-CB 3.27Å; A158-N161 PolarHBondContact O-N 2.86Å; P159-N161 PolarHBondContact O-N 2.92Å; P159-N161 VanDerWaalsContact O-N 3.13Å; N161-A163 VanDerWaalsContact C-N 3.32Å; N161-A163 PolarHBondContact O-N 2.89Å; N161-F164 VanDerWaalsContact O-CB 3.29Å; N161-F164 WeakPolarHBondContact O-CB 3.45Å; N161-F164 PolarHBondContact O-N 3.26Å; N161-Y165 HydrophobicContact CB-CD2 4.37Å; N161-Y165 HydrophobicContact CB-CE2 4.02Å; N161-Y165 VanDerWaalsContact O-CD2 3.29Å; N161-Y165 WeakPolarHBondContact O-CD2 3.26Å; N161-Y165 PolarHBondContact O-N 2.91Å
162V97.8Very high97.7Very high40 Ų4068.9 Ų68.924%0.24239%0.39CS..Hα-helixtrans-56.1-46.7-177.2171.50000111.6P159 F164 Y165 Q166P159-V162 WeakPolarHBondContact O-CB 3.44Å; P159-V162 WeakPolarHBondContact O-CG2 3.37Å; P159-V162 PolarHBondContact O-N 3.37Å; V162-F164 PolarHBondContact O-N 3.2Å; V162-F164 VanDerWaalsContact O-N 3.15Å; V162-Y165 PolarHBondContact O-N 3.42Å; V162-Q166 HydrophobicContact CG1-CG 4.24Å; V162-Q166 WeakPolarHBondContact O-CG 3.21Å; V162-Q166 PolarHBondContact O-N 3.41Å
163A97.5Very high97.5Very high62 Ų6268.5 Ų68.551%0.51240%0.399SS..Hα-helixtrans-61.5-24.3178.800000113.4N161N161-A163 VanDerWaalsContact C-N 3.32Å; N161-A163 PolarHBondContact O-N 2.89Å
164F97.3Very high97.3Very high59 Ų5975.3 Ų75.326%0.25944%0.435SS..Hα-helixtrans-70.4-48.5173171.1-95000110.7K135 V138 N161 V162 K167 F168K135-F164 HydrophobicContact CG-CE2 3.94Å; V138-F164 HydrophobicContact CG2-CE1 4.06Å; V138-F164 HydrophobicContact CG2-CZ 4.44Å; N161-F164 VanDerWaalsContact O-CB 3.29Å; N161-F164 WeakPolarHBondContact O-CB 3.45Å; N161-F164 PolarHBondContact O-N 3.26Å; V162-F164 PolarHBondContact O-N 3.2Å; V162-F164 VanDerWaalsContact O-N 3.15Å; F164-K167 WeakPolarHBondContact O-CB 3.12Å; F164-K167 WeakPolarHBondContact O-CG 3.2Å; F164-K167 PolarHBondContact O-N 3.43Å; F164-F168 HydrophobicContact CD1-CE2 4.05Å; F164-F168 AromaticContact CE1-CE2 3.71Å; F164-F168 HydrophobicContact CE1-CE2 3.71Å; F164-F168 HydrophobicContact CE1-CZ 4.1Å; F164-F168 HydrophobicContact CE2-CE2 4.36Å; F164-F168 HydrophobicContact CE2-CZ 4.15Å; F164-F168 AromaticContact CZ-CE2 3.88Å; F164-F168 HydrophobicContact CZ-CE2 3.88Å; F164-F168 AromaticContact CZ-CZ 3.78Å; F164-F168 HydrophobicContact CZ-CZ 3.78Å; F164-F168 WeakPolarHBondContact O-CE2 3.39Å
165Y98.4Very high97.2Very high26 Ų2680.5 Ų80.510%0.10246%0.457CS..Hα-helixtrans-73.1-28.1-176.8-66.4-75000113.8V138 L155 C157 N161 V162 K167 F168 Y170V138-Y165 HydrophobicContact CG1-CD1 4.22Å; V138-Y165 HydrophobicContact CG1-CE1 4.44Å; V138-Y165 HydrophobicContact CG2-CE1 4.05Å; L155-Y165 HydrophobicContact CD1-CD1 3.88Å; L155-Y165 HydrophobicContact CD1-CD2 3.85Å; L155-Y165 HydrophobicContact CD1-CE1 4.01Å; L155-Y165 HydrophobicContact CD1-CE2 4Å; L155-Y165 HydrophobicContact CD1-CG 3.78Å; L155-Y165 HydrophobicContact CD2-CD1 3.31Å; L155-Y165 HydrophobicContact CD2-CE1 3.51Å; L155-Y165 HydrophobicContact CD2-CG 3.99Å; L155-Y165 HydrophobicContact CG-CD1 4.26Å; L155-Y165 HydrophobicContact CG-CE1 4.42Å; C157-Y165 HydrophobicContact CB-CD2 3.82Å; C157-Y165 HydrophobicContact CB-CE2 3.41Å; C157-Y165 VanDerWaalsContact CB-CE2 3.41Å; C157-Y165 VanDerWaalsContact SG-CD2 3.58Å; N161-Y165 HydrophobicContact CB-CD2 4.37Å; N161-Y165 HydrophobicContact CB-CE2 4.02Å; N161-Y165 VanDerWaalsContact O-CD2 3.29Å; N161-Y165 WeakPolarHBondContact O-CD2 3.26Å; N161-Y165 PolarHBondContact O-N 2.91Å; V162-Y165 PolarHBondContact O-N 3.42Å; Y165-K167 PolarHBondContact O-N 3.47Å; Y165-K167 VanDerWaalsContact O-N 3.09Å; Y165-F168 WeakPolarHBondContact O-CD2 3.44Å; Y165-F168 PolarHBondContact O-N 2.58Å; Y165-Y170 WeakPolarHBondContact O-CD2 3.37Å
166Q98Very high97Very high104 Ų10485 Ų8549%0.48649%0.485SS..G310 helixtrans-56.2-27.3174.1-76.8175.9-3300113.3V162 F168 G169 Y170V162-Q166 HydrophobicContact CG1-CG 4.24Å; V162-Q166 WeakPolarHBondContact O-CG 3.21Å; V162-Q166 PolarHBondContact O-N 3.41Å; Q166-F168 PolarHBondContact O-N 2.89Å; Q166-G169 PolarHBondContact O-N 3.18Å; Q166-G169 VanDerWaalsContact O-N 3.11Å; Q166-Y170 WeakPolarHBondContact CA-O 3.42Å
167K96.9Very high96.9Very high115 Ų11587.9 Ų87.950%0.549%0.494SS..G310 helixtrans-58.5-31.4177.2-61.2175.2-175.5-179.90112.8V24 F164 Y165V24-K167 HydrophobicContact CG2-CB 4.18Å; V24-K167 WeakPolarHBondContact CG2-O 3.45Å; F164-K167 WeakPolarHBondContact O-CB 3.12Å; F164-K167 WeakPolarHBondContact O-CG 3.2Å; F164-K167 PolarHBondContact O-N 3.43Å; Y165-K167 PolarHBondContact O-N 3.47Å; Y165-K167 VanDerWaalsContact O-N 3.09Å
168F97.3Very high96.9Very high22 Ų2293.3 Ų93.310%0.09652%0.517CS..G310 helixtrans-95.99.8-177.1-39.2-85.9000112.8V24 K135 V138 S139 F164 Y165 Q166 Y170V24-F168 HydrophobicContact CB-CD1 4.42Å; V24-F168 HydrophobicContact CB-CE1 4.37Å; V24-F168 HydrophobicContact CG1-CE1 4.21Å; V24-F168 HydrophobicContact CG2-CD1 3.4Å; V24-F168 HydrophobicContact CG2-CE1 3.7Å; V24-F168 HydrophobicContact CG2-CG 4.17Å; K135-F168 HydrophobicContact CB-CE1 4.09Å; K135-F168 HydrophobicContact CB-CZ 4.1Å; K135-F168 HydrophobicContact CG-CE1 4.5Å; K135-F168 HydrophobicContact CG-CZ 4.13Å; K135-F168 WeakPolarHBondContact O-CE1 3.35Å; V138-F168 HydrophobicContact CB-CD1 4.25Å; V138-F168 HydrophobicContact CB-CD2 4.12Å; V138-F168 HydrophobicContact CB-CE1 4.08Å; V138-F168 HydrophobicContact CB-CE2 3.92Å; V138-F168 HydrophobicContact CB-CG 4.31Å; V138-F168 HydrophobicContact CB-CZ 3.93Å; V138-F168 HydrophobicContact CG1-CB 4.28Å; V138-F168 HydrophobicContact CG1-CD1 4.03Å; V138-F168 HydrophobicContact CG1-CD2 3.4Å; V138-F168 VanDerWaalsContact CG1-CD2 3.4Å; V138-F168 HydrophobicContact CG1-CE1 4.29Å; V138-F168 HydrophobicContact CG1-CE2 3.69Å; V138-F168 HydrophobicContact CG1-CG 3.63Å; V138-F168 HydrophobicContact CG1-CZ 4.15Å; S139-F168 WeakPolarHBondContact OG-CD1 3.36Å; S139-F168 WeakPolarHBondContact OG-CE1 3.43Å; F164-F168 HydrophobicContact CD1-CE2 4.05Å; F164-F168 AromaticContact CE1-CE2 3.71Å; F164-F168 HydrophobicContact CE1-CE2 3.71Å; F164-F168 HydrophobicContact CE1-CZ 4.1Å; F164-F168 HydrophobicContact CE2-CE2 4.36Å; F164-F168 HydrophobicContact CE2-CZ 4.15Å; F164-F168 AromaticContact CZ-CE2 3.88Å; F164-F168 HydrophobicContact CZ-CE2 3.88Å; F164-F168 AromaticContact CZ-CZ 3.78Å; F164-F168 HydrophobicContact CZ-CZ 3.78Å; F164-F168 WeakPolarHBondContact O-CE2 3.39Å; Y165-F168 WeakPolarHBondContact O-CD2 3.44Å; Y165-F168 PolarHBondContact O-N 2.58Å; Q166-F168 PolarHBondContact O-N 2.89Å; F168-Y170 HydrophobicContact CB-CD2 3.87Å; F168-Y170 HydrophobicContact CB-CE2 3.82Å
169G97.3Very high97Very high66 Ų6697 Ų9768%0.6853%0.526SS*.THydrogen-bonded Turntrans89.110.7-179.700000115Q166Q166-G169 PolarHBondContact O-N 3.18Å; Q166-G169 VanDerWaalsContact O-N 3.11Å
170Y98.2Very high97Very high27 Ų2795.9 Ų95.911%0.10652%0.521CS..  trans-74145.8170.6-65.4-100.1000110.4V119 V138 T142 I153 L155 Y165 Q166 F168V119-Y170 WeakPolarHBondContact CG2-OH 3.38Å; V138-Y170 HydrophobicContact CG1-CE2 4.17Å; T142-Y170 HydrophobicContact CG2-CE2 4.37Å; T142-Y170 WeakPolarHBondContact OG1-CE2 3.31Å; T142-Y170 PolarHBondContact OG1-OH 2.84Å; I153-Y170 WeakPolarHBondContact CD1-OH 2.92Å; I153-Y170 HydrophobicContact CG1-CE1 4.31Å; I153-Y170 WeakPolarHBondContact CG1-OH 3.48Å; I153-Y170 HydrophobicContact CG2-CE1 3.92Å; L155-Y170 HydrophobicContact CD2-CD1 3.83Å; L155-Y170 HydrophobicContact CD2-CE1 3.53Å; L155-Y170 HydrophobicContact CD2-CE2 4.28Å; L155-Y170 HydrophobicContact CD2-CG 4.33Å; L155-Y170 HydrophobicContact CG-CD1 4.06Å; L155-Y170 HydrophobicContact CG-CE1 4.01Å; Y165-Y170 WeakPolarHBondContact O-CD2 3.37Å; Q166-Y170 WeakPolarHBondContact CA-O 3.42Å; F168-Y170 HydrophobicContact CB-CD2 3.87Å; F168-Y170 HydrophobicContact CB-CE2 3.82Å
171T97.9Very high96.9Very high124 Ų12494 Ų9476%0.76151%0.508SS*.  trans-129.4152.5172.650.70000109.1S173T171-S173 PolarHBondContact O-N 3.13Å
172S96.7Very high96.9Very high83 Ų8399.6 Ų99.658%0.5853%0.53SS*.  trans-64.5131.8172.4-64.30000109.2
173S95.4Very high96.5Very high77 Ų77106 Ų10654%0.53856%0.555SS.*  trans-78.6149.2172-169.40000109.8T171 E175T171-S173 PolarHBondContact O-N 3.13Å; S173-E175 PolarHBondContact O-N 3.28Å; S173-E175 WeakPolarHBondContact OG-CB 3.37Å; S173-E175 WeakPolarHBondContact OG-CG 3.4Å; S173-E175 PolarHBondContact OG-N 3.39Å; S173-E175 VanDerWaalsContact OG-N 3.17Å; S173-E175 PolarHBondContact OG-OE2 3.49Å
174D94.8Very high95.3Very high174 Ų174109.8 Ų109.893%0.9357%0.566SS**SBendtrans-73-13.4166.5-63.3-39000111.7
175E95.3Very high95.2Very high146 Ų146112.3 Ų112.368%0.68258%0.582SS**SBendtrans-68.5137.3174.3-62.9174.414900111.1S173S173-E175 PolarHBondContact O-N 3.28Å; S173-E175 WeakPolarHBondContact OG-CB 3.37Å; S173-E175 WeakPolarHBondContact OG-CG 3.4Å; S173-E175 PolarHBondContact OG-N 3.39Å; S173-E175 VanDerWaalsContact OG-N 3.17Å; S173-E175 PolarHBondContact OG-OE2 3.49Å
176T95.6Very high95Very high123 Ų123116.8 Ų116.876%0.75561%0.607SS**PPolyproline II helixtrans-83.8126.9175.3-58.40000110.6M178T176-M178 HydrophobicContact CG2-CG 4.28Å
177Y96.2Very high94.8Very high139 Ų139117.6 Ų117.655%0.54561%0.614SS.*PPolyproline II helixtrans-71.6127.1167175.7-107.8000110.2E156 Q179E156-Y177 HydrophobicContact CG-CD2 3.64Å; E156-Y177 HydrophobicContact CG-CE2 3.85Å; E156-Y177 HydrophobicContact CG-CG 4.1Å; Y177-Q179 HydrophobicContact CE1-CB 4.02Å
178M97.1Very high94.7Very high163 Ų163117.7 Ų117.780%0.80362%0.62SS**  trans-122.1140.3178.3-58.3-17276.600109.8T176T176-M178 HydrophobicContact CG2-CG 4.28Å
179Q97.1Very high94.5Very high120 Ų120123.7 Ų123.756%0.56165%0.653SS**  trans-132.4139.9179.2-177.8177.117.500110.7Y177Y177-Q179 HydrophobicContact CE1-CB 4.02Å
180C97.7Very high94.4Very high96 Ų96127.5 Ų127.565%0.64965%0.651SS**  trans-122.2120.8162.1-174.40000107.5
181R95.9Very high94.1Very high142 Ų142134.7 Ų134.754%0.53669%0.69SS.*  trans-102.5126-173.7-176.5-177.2-69-151.4-3.7110.1F183 D184R181-F183 VanDerWaalsContact CD-O 3.27Å; R181-F183 WeakPolarHBondContact CD-O 3.09Å; R181-F183 WeakPolarHBondContact CG-O 3.41Å; R181-D184 IonicContact NH1-OD1 3.18Å; R181-D184 PolarHBondContact NH1-OD1 3.08Å
182F96.6Very high93.8Very high183 Ų183135.5 Ų135.580%0.80369%0.685SS**SBendtrans-101.7-20.4178.1-59.5-66.9000113.8
183F89.9Confident93.6Very high175 Ų175139.9 Ų139.977%0.76869%0.694SS**  trans-153.7165.1177.358.4-92.5000109.8R181R181-F183 VanDerWaalsContact CD-O 3.27Å; R181-F183 WeakPolarHBondContact CD-O 3.09Å; R181-F183 WeakPolarHBondContact CG-O 3.41Å
184D71.1Confident93.4Very high141 Ų141145.6 Ų145.675%0.75471%0.708SS**  trans-91.80-174.8-92-18.7000115.6R181R181-D184 IonicContact NH1-OD1 3.18Å; R181-D184 PolarHBondContact NH1-OD1 3.08Å

Retrieved 184 of 184 residues in 207.2 ms (Link to these results)

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