A0A096NA12_PAPAN Loading...

CDGSH iron-sulfur domain-containing protein 2

Regulator of autophagy that contributes to antagonize BECN1-mediated cellular autophagy at the endoplasmic reticulum. Participates in the interaction of BCL2 with BECN1 and is required for BCL2-mediated depression of endoplasmic reticulum Ca(2+) stores during autophagy.

AlphaFold DB , UniProt , Accession A0A096NA12, Species PAPAN (Papio anubis, Olive baboon), Gene CISD2, Length 135 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
1M58.8Low68Low182 Ų18288.2 Ų88.290%0.89745%0.449SS*.  0-79.70-66.5-16874.100113E4 S5M1-E4 WeakPolarHBondContact CA-OE2 3.39Å; M1-E4 PolarHBondContact N-OE2 3.47Å; M1-S5 PolarHBondContact O-N 3.45Å; M1-S5 VanDerWaalsContact O-N 3.1Å; M1-S5 PolarHBondContact O-OG 3.07Å; M1-S5 VanDerWaalsContact O-OG 3.06Å
2V65.5Low68.1Low118 Ų11889.3 Ų89.372%0.71546%0.463SS*.Hα-helixtrans-65.5-45.4-174-177.90000113E4 S5 V6V2-E4 VanDerWaalsContact C-N 3.35Å; V2-E4 PolarHBondContact O-N 3.33Å; V2-S5 PolarHBondContact O-N 3.38Å; V2-V6 HydrophobicContact CG1-CG2 4.43Å; V2-V6 WeakPolarHBondContact O-CG2 3.32Å; V2-V6 PolarHBondContact O-N 2.82Å
3L64.8Low68Low65 Ų6594.4 Ų94.434%0.3448%0.483SS..Hα-helixtrans-66.1-36.9-177.7-166.666.4000112.5V6 A7 I27L3-V6 PolarHBondContact O-N 2.84Å; L3-A7 VanDerWaalsContact O-CB 3.26Å; L3-A7 WeakPolarHBondContact O-CB 3.38Å; L3-A7 PolarHBondContact O-N 2.98Å; L3-I27 HydrophobicContact CD2-CG1 4.37Å
4E68.9Low67.8Low92 Ų9291.6 Ų91.643%0.4347%0.469SS..Hα-helixtrans-67.4-41.7175.1-67.5162.8144.800111.6M1 V2 A7 R8 E25M1-E4 WeakPolarHBondContact CA-OE2 3.39Å; M1-E4 PolarHBondContact N-OE2 3.47Å; V2-E4 VanDerWaalsContact C-N 3.35Å; V2-E4 PolarHBondContact O-N 3.33Å; E4-A7 PolarHBondContact O-N 3.06Å; E4-R8 WeakPolarHBondContact O-CB 3.43Å; E4-R8 WeakPolarHBondContact O-CG 3.37Å; E4-R8 PolarHBondContact O-N 3.44Å; E4-E25 HydrophobicContact CG-CB 4.38Å
5S71.7Confident67.7Low69 Ų6989.7 Ų89.748%0.48347%0.465SS..Hα-helixtrans-62-44.4175.3-62.70000111.4M1 V2 R8 I9M1-S5 PolarHBondContact O-N 3.45Å; M1-S5 VanDerWaalsContact O-N 3.1Å; M1-S5 PolarHBondContact O-OG 3.07Å; M1-S5 VanDerWaalsContact O-OG 3.06Å; V2-S5 PolarHBondContact O-N 3.38Å; S5-R8 PolarHBondContact O-N 3.26Å; S5-I9 WeakPolarHBondContact O-CD1 3.22Å; S5-I9 VanDerWaalsContact O-CG1 3.27Å; S5-I9 WeakPolarHBondContact O-CG1 3.25Å; S5-I9 PolarHBondContact O-N 3.45Å
6V71.2Confident67.3Low75 Ų7589 Ų8946%0.45548%0.477SS..Hα-helixtrans-64.5-44.7176173.80000110.9V2 L3 R8 I9 V10V2-V6 HydrophobicContact CG1-CG2 4.43Å; V2-V6 WeakPolarHBondContact O-CG2 3.32Å; V2-V6 PolarHBondContact O-N 2.82Å; L3-V6 PolarHBondContact O-N 2.84Å; V6-R8 VanDerWaalsContact C-N 3.32Å; V6-R8 PolarHBondContact O-N 2.87Å; V6-I9 PolarHBondContact O-N 3.3Å; V6-V10 HydrophobicContact CG1-CG2 4.3Å; V6-V10 WeakPolarHBondContact O-CB 3.49Å; V6-V10 VanDerWaalsContact O-CG2 3.25Å; V6-V10 WeakPolarHBondContact O-CG2 3.26Å; V6-V10 PolarHBondContact O-N 2.89Å
7A68.7Low66.8Low1 Ų193.6 Ų93.61%0.00849%0.488CS..Hα-helixtrans-60.6-40.4177.500000112L3 E4 K11 V23 E25L3-A7 VanDerWaalsContact O-CB 3.26Å; L3-A7 WeakPolarHBondContact O-CB 3.38Å; L3-A7 PolarHBondContact O-N 2.98Å; E4-A7 PolarHBondContact O-N 3.06Å; A7-K11 WeakPolarHBondContact O-CB 3.41Å; A7-K11 WeakPolarHBondContact O-CG 3.42Å; A7-K11 PolarHBondContact O-N 2.8Å; A7-V23 HydrophobicContact CB-CG1 4.26Å; A7-E25 HydrophobicContact CB-CG 4.23Å
8R72.3Confident66.3Low179 Ų17990.3 Ų90.368%0.67547%0.47SS*.Hα-helixtrans-65.1-44.4174.5-76.8-175.7-176.5-170.52.6112.3E4 S5 V6 V10 K11 V12E4-R8 WeakPolarHBondContact O-CB 3.43Å; E4-R8 WeakPolarHBondContact O-CG 3.37Å; E4-R8 PolarHBondContact O-N 3.44Å; S5-R8 PolarHBondContact O-N 3.26Å; V6-R8 VanDerWaalsContact C-N 3.32Å; V6-R8 PolarHBondContact O-N 2.87Å; R8-V10 VanDerWaalsContact C-N 3.35Å; R8-V10 PolarHBondContact O-N 2.98Å; R8-K11 PolarHBondContact O-N 2.83Å; R8-V12 VanDerWaalsContact O-CB 3.26Å; R8-V12 WeakPolarHBondContact O-CB 3.23Å; R8-V12 WeakPolarHBondContact O-CG2 3.17Å; R8-V12 PolarHBondContact O-N 2.86Å
9I72.3Confident66.2Low95 Ų9591.2 Ų91.249%0.48747%0.47SS..Hα-helixtrans-60.4-46.8178.2-71165.2000110.6S5 V6 K11 V12 Q13S5-I9 WeakPolarHBondContact O-CD1 3.22Å; S5-I9 VanDerWaalsContact O-CG1 3.27Å; S5-I9 WeakPolarHBondContact O-CG1 3.25Å; S5-I9 PolarHBondContact O-N 3.45Å; V6-I9 PolarHBondContact O-N 3.3Å; I9-K11 PolarHBondContact O-N 2.8Å; I9-V12 PolarHBondContact O-N 2.79Å; I9-Q13 WeakPolarHBondContact O-CB 3.5Å; I9-Q13 PolarHBondContact O-N 3.37Å
10V67.1Low66.1Low23 Ų2397.6 Ų97.614%0.13949%0.488CS..Hα-helixtrans-61.2-43.6177171.50000111.2V6 R8 L14 V23V6-V10 HydrophobicContact CG1-CG2 4.3Å; V6-V10 WeakPolarHBondContact O-CB 3.49Å; V6-V10 VanDerWaalsContact O-CG2 3.25Å; V6-V10 WeakPolarHBondContact O-CG2 3.26Å; V6-V10 PolarHBondContact O-N 2.89Å; R8-V10 VanDerWaalsContact C-N 3.35Å; R8-V10 PolarHBondContact O-N 2.98Å; V10-L14 HydrophobicContact CB-CD1 4Å; V10-L14 HydrophobicContact CG1-CD1 3.58Å; V10-L14 HydrophobicContact CG2-CD1 4.27Å; V10-L14 VanDerWaalsContact O-CB 3.32Å; V10-L14 WeakPolarHBondContact O-CB 3.44Å; V10-L14 WeakPolarHBondContact O-CD1 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; V10-V23 HydrophobicContact CG1-CG2 4.18Å
11K66.8Low66.1Low71 Ų7194.1 Ų94.131%0.30947%0.471SS..Hα-helixtrans-72.7-31.1-179.6-71.5173.1-173.6-1790113.6A7 R8 I9 K19 E25A7-K11 WeakPolarHBondContact O-CB 3.41Å; A7-K11 WeakPolarHBondContact O-CG 3.42Å; A7-K11 PolarHBondContact O-N 2.8Å; R8-K11 PolarHBondContact O-N 2.83Å; I9-K11 PolarHBondContact O-N 2.8Å; K11-K19 WeakPolarHBondContact O-CD 3.17Å; K11-K19 WeakPolarHBondContact O-CE 3.42Å; K11-K19 WeakPolarHBondContact O-CG 3.16Å; K11-E25 IonicContact NZ-OE1 2.77Å; K11-E25 PolarHBondContact NZ-OE1 3.42Å
12V69.2Low66.4Low102 Ų10286.9 Ų86.962%0.61844%0.438SS*.Hα-helixtrans-92.9-45.2-171.7175.60000112.1R8 I9 K19R8-V12 VanDerWaalsContact O-CB 3.26Å; R8-V12 WeakPolarHBondContact O-CB 3.23Å; R8-V12 WeakPolarHBondContact O-CG2 3.17Å; R8-V12 PolarHBondContact O-N 2.86Å; I9-V12 PolarHBondContact O-N 2.79Å; V12-K19 PolarHBondContact O-NZ 3.2Å
13Q66.6Low66.4Low155 Ų15582.7 Ų82.772%0.72441%0.412SS*.Hα-helixtrans-95-11.9-169.2-67.7-176.5-27.500114.8I9I9-Q13 WeakPolarHBondContact O-CB 3.5Å; I9-Q13 PolarHBondContact O-N 3.37Å
14L65.3Low66.4Low55 Ų5580.4 Ų80.429%0.28840%0.401SS..SBendtrans-90.1154.8-178.1-68.2169.4000113.4V10 L18 K19V10-L14 HydrophobicContact CB-CD1 4Å; V10-L14 HydrophobicContact CG1-CD1 3.58Å; V10-L14 HydrophobicContact CG2-CD1 4.27Å; V10-L14 VanDerWaalsContact O-CB 3.32Å; V10-L14 WeakPolarHBondContact O-CB 3.44Å; V10-L14 WeakPolarHBondContact O-CD1 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; L14-L18 HydrophobicContact CB-CB 3.74Å; L14-L18 HydrophobicContact CB-CD1 3.98Å; L14-L18 HydrophobicContact CB-CG 4.45Å; L14-L18 HydrophobicContact CD1-CB 4Å; L14-L18 HydrophobicContact CD1-CD1 3.93Å; L14-L18 HydrophobicContact CD2-CD1 3.85Å; L14-L18 HydrophobicContact CG-CB 4.45Å; L14-L18 HydrophobicContact CG-CD1 4.15Å; L14-K19 WeakPolarHBondContact O-CE 3.33Å
15P66.1Low66.3Low63 Ų6380.8 Ų80.841%0.40940%0.403SS..  trans-50.5153.6174-29.234.8000113.9Y17 L18 K19P15-Y17 HydrophobicContact CB-CD1 3.63Å; P15-Y17 HydrophobicContact CB-CE1 3.22Å; P15-Y17 HydrophobicContact CG-CE1 3.86Å; P15-Y17 PolarHBondContact O-N 3.46Å; P15-L18 PolarHBondContact O-N 3.41Å; P15-K19 PolarHBondContact O-N 2.87Å
16A61.9Low66.3Low79 Ų7980.3 Ų80.365%0.65340%0.4SS*.THydrogen-bonded Turntrans-53.4-24.6-17100000115.6
17Y58.1Low65.9Low168 Ų16883.6 Ų83.666%0.65941%0.413SS*.THydrogen-bonded Turntrans-75.1-29.8176.863.5-93.3000113.7P15P15-Y17 HydrophobicContact CB-CD1 3.63Å; P15-Y17 HydrophobicContact CB-CE1 3.22Å; P15-Y17 HydrophobicContact CG-CE1 3.86Å; P15-Y17 PolarHBondContact O-N 3.46Å
18L58.9Low66Low33 Ų3388.4 Ų88.417%0.17344%0.443CS..THydrogen-bonded Turntrans-84.6-21177.9-63.9172.8000112.6L14 P15 R20 L21L14-L18 HydrophobicContact CB-CB 3.74Å; L14-L18 HydrophobicContact CB-CD1 3.98Å; L14-L18 HydrophobicContact CB-CG 4.45Å; L14-L18 HydrophobicContact CD1-CB 4Å; L14-L18 HydrophobicContact CD1-CD1 3.93Å; L14-L18 HydrophobicContact CD2-CD1 3.85Å; L14-L18 HydrophobicContact CG-CB 4.45Å; L14-L18 HydrophobicContact CG-CD1 4.15Å; P15-L18 PolarHBondContact O-N 3.41Å; L18-R20 PolarHBondContact O-N 2.92Å; L18-L21 HydrophobicContact CB-CD1 4.27Å; L18-L21 HydrophobicContact CD2-CD1 3.66Å; L18-L21 HydrophobicContact CD2-CG 4.44Å; L18-L21 WeakPolarHBondContact O-CB 3.32Å; L18-L21 WeakPolarHBondContact O-CG 3.44Å; L18-L21 PolarHBondContact O-N 3Å; L18-L21 VanDerWaalsContact O-N 3.14Å
19K63.2Low65.9Low108 Ų10880.7 Ų80.747%0.4742%0.418SS..THydrogen-bonded Turntrans-63.7-23173.7-59-166176.8-172.30113.2K11 V12 L14 P15 L21K11-K19 WeakPolarHBondContact O-CD 3.17Å; K11-K19 WeakPolarHBondContact O-CE 3.42Å; K11-K19 WeakPolarHBondContact O-CG 3.16Å; V12-K19 PolarHBondContact O-NZ 3.2Å; L14-K19 WeakPolarHBondContact O-CE 3.33Å; P15-K19 PolarHBondContact O-N 2.87Å; K19-L21 VanDerWaalsContact C-N 3.31Å
20R65.4Low65.7Low219 Ų21979.7 Ų79.783%0.82641%0.411SS*.THydrogen-bonded Turntrans-87.43.7177.9-64.2-172.4-173.1-136.12.7113.5L18L18-R20 PolarHBondContact O-N 2.92Å
21L65.3Low65.9Low24 Ų2482.9 Ų82.913%0.12644%0.439CS..SBendtrans-70.4130.7174.6-69.8174000109.5L18 K19 V23 L41 F44L18-L21 HydrophobicContact CB-CD1 4.27Å; L18-L21 HydrophobicContact CD2-CD1 3.66Å; L18-L21 HydrophobicContact CD2-CG 4.44Å; L18-L21 WeakPolarHBondContact O-CB 3.32Å; L18-L21 WeakPolarHBondContact O-CG 3.44Å; L18-L21 PolarHBondContact O-N 3Å; L18-L21 VanDerWaalsContact O-N 3.14Å; K19-L21 VanDerWaalsContact C-N 3.31Å; L21-V23 HydrophobicContact CB-CG2 3.84Å; L21-V23 PolarHBondContact O-N 3.39Å; L21-L41 HydrophobicContact CB-CD2 4.42Å; L21-L41 HydrophobicContact CD2-CD2 4.27Å; L21-F44 HydrophobicContact CD1-CD2 4.36Å; L21-F44 HydrophobicContact CD1-CG 4.28Å
22P65Low66.2Low31 Ų3189.8 Ų89.820%0.20146%0.463CS..  trans-75.671.9175.531.6-32.3000108.8P24 L33 E37 L41P22-P24 WeakPolarHBondContact O-CD 3.49Å; P22-L33 HydrophobicContact CB-CD2 3.9Å; P22-L33 HydrophobicContact CG-CD2 4.26Å; P22-E37 HydrophobicContact CB-CB 4.39Å; P22-E37 HydrophobicContact CB-CG 4.31Å; P22-E37 HydrophobicContact CG-CB 3.75Å; P22-E37 HydrophobicContact CG-CG 4Å; P22-L41 HydrophobicContact CG-CD1 4.07Å; P22-L41 HydrophobicContact CG-CD2 4.46Å; P22-L41 HydrophobicContact CG-CG 4.11Å
23V65.3Low66.5Low29 Ų2986.2 Ų86.218%0.17644%0.441CS..  trans-83.6108.6176.6-174.60000107.9A7 V10 L21A7-V23 HydrophobicContact CB-CG1 4.26Å; V10-V23 HydrophobicContact CG1-CG2 4.18Å; L21-V23 HydrophobicContact CB-CG2 3.84Å; L21-V23 PolarHBondContact O-N 3.39Å
24P64.5Low66.9Low17 Ų1782.3 Ų82.311%0.1143%0.428CS..  trans-73.1145.1-179.230.1-32.9000110.4P22 S26 F30P22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-S26 VanDerWaalsContact C-N 3.28Å; P24-F30 HydrophobicContact CG-CB 4.49Å; P24-F30 HydrophobicContact CG-CD1 3.51Å; P24-F30 HydrophobicContact CG-CD2 3.58Å; P24-F30 HydrophobicContact CG-CE1 3.42Å; P24-F30 VanDerWaalsContact CG-CE1 3.42Å; P24-F30 HydrophobicContact CG-CE2 3.51Å; P24-F30 HydrophobicContact CG-CG 3.59Å; P24-F30 HydrophobicContact CG-CZ 3.43Å; P24-F30 VanDerWaalsContact CG-CZ 3.43Å
25E68.1Low67.6Low101 Ų10185.3 Ų85.347%0.47245%0.448SS..SBendtrans-84.9-6.7-176.9-62.4-179176.400112.2E4 A7 K11E4-E25 HydrophobicContact CG-CB 4.38Å; A7-E25 HydrophobicContact CB-CG 4.23Å; K11-E25 IonicContact NZ-OE1 2.77Å; K11-E25 PolarHBondContact NZ-OE1 3.42Å
26S70.4Confident68Low59 Ų5985.5 Ų85.541%0.41345%0.45SS..SBendtrans-140.3156.1178.9650000112.2P24 T28 G29P24-S26 VanDerWaalsContact C-N 3.28Å; S26-T28 PolarHBondContact O-N 3.07Å; S26-G29 PolarHBondContact O-N 3.39Å; S26-G29 PolarHBondContact OG-N 3.19Å
27I63.3Low68.7Low143 Ų14384.6 Ų84.673%0.73343%0.433SS*.G310 helixtrans-62-34.9180-56.2174000110.9L3 G29 F30L3-I27 HydrophobicContact CD2-CG1 4.37Å; I27-G29 VanDerWaalsContact C-N 3.25Å; I27-G29 PolarHBondContact O-N 3.13Å; I27-F30 PolarHBondContact O-N 3.31Å
28T71.7Confident69.7Low103 Ų10381.6 Ų81.663%0.63242%0.421SS*.G310 helixtrans-69.4-20.8176.1-17.80000113.3S26 F30 A31S26-T28 PolarHBondContact O-N 3.07Å; T28-F30 VanDerWaalsContact C-N 3.34Å; T28-A31 PolarHBondContact O-N 2.7Å
29G69.1Low70.8Confident16 Ų1685.2 Ų85.217%0.16544%0.439CS..G310 helixtrans-70.9-26.6177.100000113.4S26 I27 A31 R32S26-G29 PolarHBondContact O-N 3.39Å; S26-G29 PolarHBondContact OG-N 3.19Å; I27-G29 VanDerWaalsContact C-N 3.25Å; I27-G29 PolarHBondContact O-N 3.13Å; G29-A31 PolarHBondContact O-N 3.37Å; G29-R32 PolarHBondContact O-N 3.5Å
30F68.3Low71.6Confident75 Ų7588.5 Ų88.533%0.32945%0.449SS..G310 helixtrans-64.9-29.2174.8-70.5-80.7000112.7P24 I27 T28 R32 L33 W38P24-F30 HydrophobicContact CG-CB 4.49Å; P24-F30 HydrophobicContact CG-CD1 3.51Å; P24-F30 HydrophobicContact CG-CD2 3.58Å; P24-F30 HydrophobicContact CG-CE1 3.42Å; P24-F30 VanDerWaalsContact CG-CE1 3.42Å; P24-F30 HydrophobicContact CG-CE2 3.51Å; P24-F30 HydrophobicContact CG-CG 3.59Å; P24-F30 HydrophobicContact CG-CZ 3.43Å; P24-F30 VanDerWaalsContact CG-CZ 3.43Å; I27-F30 PolarHBondContact O-N 3.31Å; T28-F30 VanDerWaalsContact C-N 3.34Å; F30-R32 VanDerWaalsContact C-N 3.27Å; F30-R32 PolarHBondContact O-N 3.44Å; F30-L33 HydrophobicContact CB-CD1 4.5Å; F30-L33 HydrophobicContact CD1-CD1 3.97Å; F30-W38 HydrophobicContact CB-CZ2 4.5Å
31A71.8Confident72.3Confident89 Ų8978.4 Ų78.474%0.73641%0.411SS*.G310 helixtrans-75.4-14177.800000113.6T28 G29T28-A31 PolarHBondContact O-N 2.7Å; G29-A31 PolarHBondContact O-N 3.37Å
32R73.8Confident73.2Confident216 Ų21682.1 Ų82.182%0.81543%0.431SS*.G310 helixtrans-100.72-179.6-65.3-174.2177.4-174.7-1113.7G29 F30G29-R32 PolarHBondContact O-N 3.5Å; F30-R32 VanDerWaalsContact C-N 3.27Å; F30-R32 PolarHBondContact O-N 3.44Å
33L73.5Confident74.1Confident27 Ų2785 Ų8514%0.14145%0.449CS..  trans-74135.8179.9-71.2167.9000110.9P22 F30 E37 W38 L41P22-L33 HydrophobicContact CB-CD2 3.9Å; P22-L33 HydrophobicContact CG-CD2 4.26Å; F30-L33 HydrophobicContact CB-CD1 4.5Å; F30-L33 HydrophobicContact CD1-CD1 3.97Å; L33-E37 HydrophobicContact CB-CB 4.46Å; L33-E37 HydrophobicContact CD2-CB 4.04Å; L33-W38 HydrophobicContact CB-CG 4.48Å; L33-W38 HydrophobicContact CD1-CZ2 4.3Å; L33-L41 HydrophobicContact CD1-CD1 3.81Å
34T77.1Confident74.8Confident74 Ų7486.7 Ų86.745%0.45445%0.454SS..  trans-74.2159.4173.454.40000111.5S36 E37 W38T34-S36 PolarHBondContact O-N 3.37Å; T34-S36 PolarHBondContact OG1-OG 2.98Å; T34-E37 PolarHBondContact N-OE2 2.89Å; T34-E37 WeakPolarHBondContact O-CB 3.32Å; T34-E37 PolarHBondContact O-N 3.44Å; T34-E37 VanDerWaalsContact OG1-CG 3.27Å; T34-E37 WeakPolarHBondContact OG1-CG 3.48Å; T34-E37 PolarHBondContact OG1-OE2 3.39Å; T34-W38 PolarHBondContact O-N 2.63Å
35V78.3Confident75.9Confident118 Ų11889.2 Ų89.272%0.71547%0.466SS*.Hα-helixtrans-58.2-35.3-177.9-179.70000112.1W38 L39V35-W38 PolarHBondContact O-N 3.02Å; V35-L39 HydrophobicContact CG1-CD1 4.24Å; V35-L39 PolarHBondContact O-N 3.29Å
36S75.7Confident76.8Confident66 Ų6686.3 Ų86.346%0.46246%0.464SS..Hα-helixtrans-69.8-32177.358.80000113T34 R40T34-S36 PolarHBondContact O-N 3.37Å; T34-S36 PolarHBondContact OG1-OG 2.98Å; S36-R40 WeakPolarHBondContact O-CG 3.34Å; S36-R40 PolarHBondContact O-N 3.49Å
37E77Confident77.8Confident61 Ų6187.4 Ų87.429%0.28547%0.468SS..Hα-helixtrans-73.3-39.7174.9-70.8171140.600111.3P22 L33 T34 L39 R40 L41P22-E37 HydrophobicContact CB-CB 4.39Å; P22-E37 HydrophobicContact CB-CG 4.31Å; P22-E37 HydrophobicContact CG-CB 3.75Å; P22-E37 HydrophobicContact CG-CG 4Å; L33-E37 HydrophobicContact CB-CB 4.46Å; L33-E37 HydrophobicContact CD2-CB 4.04Å; T34-E37 PolarHBondContact N-OE2 2.89Å; T34-E37 WeakPolarHBondContact O-CB 3.32Å; T34-E37 PolarHBondContact O-N 3.44Å; T34-E37 VanDerWaalsContact OG1-CG 3.27Å; T34-E37 WeakPolarHBondContact OG1-CG 3.48Å; T34-E37 PolarHBondContact OG1-OE2 3.39Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.27Å; E37-R40 PolarHBondContact O-N 2.92Å; E37-L41 WeakPolarHBondContact O-CG 3.5Å; E37-L41 PolarHBondContact O-N 2.81Å; E37-L41 VanDerWaalsContact O-N 3.09Å
38W78Confident79Confident105 Ų10584.9 Ų84.940%0.39846%0.455SS..Hα-helixtrans-59.1-43169.8-88106.2000112.2F30 L33 T34 V35 R40 L41 L42 L45F30-W38 HydrophobicContact CB-CZ2 4.5Å; L33-W38 HydrophobicContact CB-CG 4.48Å; L33-W38 HydrophobicContact CD1-CZ2 4.3Å; T34-W38 PolarHBondContact O-N 2.63Å; V35-W38 PolarHBondContact O-N 3.02Å; W38-R40 VanDerWaalsContact C-N 3.31Å; W38-R40 PolarHBondContact O-N 3.4Å; W38-L41 PolarHBondContact O-N 2.94Å; W38-L41 VanDerWaalsContact O-N 3.15Å; W38-L42 PolarHBondContact O-N 3.36Å; W38-L42 VanDerWaalsContact O-N 3.07Å; W38-L45 HydrophobicContact CZ3-CD1 4Å
39L81.1Confident79.9Confident109 Ų10983.1 Ų83.157%0.57145%0.451SS*.Hα-helixtrans-60.2-37.3175.3-87154.2000113V35 E37 L41 L42V35-L39 HydrophobicContact CG1-CD1 4.24Å; V35-L39 PolarHBondContact O-N 3.29Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.27Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L39-L42 HydrophobicContact CD2-CD1 4.26Å
40R80.6Confident81Confident176 Ų17687 Ų8766%0.66447%0.468SS*.Hα-helixtrans-73.4-26.4176.7-71174.7-177.7176.32.8113.2S36 E37 W38S36-R40 WeakPolarHBondContact O-CG 3.34Å; S36-R40 PolarHBondContact O-N 3.49Å; E37-R40 PolarHBondContact O-N 2.92Å; W38-R40 VanDerWaalsContact C-N 3.31Å; W38-R40 PolarHBondContact O-N 3.4Å
41L79.9Confident82.2Confident8 Ų888.3 Ų88.34%0.04248%0.478CS..Hα-helixtrans-82.6-23.4177.7-73168.2000113L21 P22 L33 E37 W38 L39 F44 L45L21-L41 HydrophobicContact CB-CD2 4.42Å; L21-L41 HydrophobicContact CD2-CD2 4.27Å; P22-L41 HydrophobicContact CG-CD1 4.07Å; P22-L41 HydrophobicContact CG-CD2 4.46Å; P22-L41 HydrophobicContact CG-CG 4.11Å; L33-L41 HydrophobicContact CD1-CD1 3.81Å; E37-L41 WeakPolarHBondContact O-CG 3.5Å; E37-L41 PolarHBondContact O-N 2.81Å; E37-L41 VanDerWaalsContact O-N 3.09Å; W38-L41 PolarHBondContact O-N 2.94Å; W38-L41 VanDerWaalsContact O-N 3.15Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L41-F44 PolarHBondContact O-N 2.85Å; L41-F44 VanDerWaalsContact O-N 3.15Å; L41-L45 HydrophobicContact CB-CD1 4.26Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3.49Å
42L83.9Confident83.2Confident102 Ų10285.8 Ų85.853%0.53446%0.46SS..Hα-helixtrans-52.1-47.2-177.6-88.7173000114.5W38 L39 F44 L45 G46W38-L42 PolarHBondContact O-N 3.36Å; W38-L42 VanDerWaalsContact O-N 3.07Å; L39-L42 HydrophobicContact CD2-CD1 4.26Å; L42-F44 VanDerWaalsContact C-N 3.33Å; L42-F44 PolarHBondContact O-N 3.34Å; L42-L45 PolarHBondContact O-N 3.22Å; L42-G46 PolarHBondContact O-N 3.38Å
43P84Confident84Confident90 Ų9081.9 Ų81.958%0.58445%0.446SS*.Hα-helixtrans-62.9-39.5179.4-22.433.4000112.6G46 V47P43-G46 PolarHBondContact O-N 3.47Å; P43-V47 WeakPolarHBondContact O-CG2 3.35Å; P43-V47 PolarHBondContact O-N 3.42Å
44F81.1Confident84.9Confident65 Ų6584.8 Ų84.829%0.28546%0.461SS..Hα-helixtrans-68.7-45.4179.4-179.5-104.9000111.6L21 L41 L42 G46 V47 L48L21-F44 HydrophobicContact CD1-CD2 4.36Å; L21-F44 HydrophobicContact CD1-CG 4.28Å; L41-F44 PolarHBondContact O-N 2.85Å; L41-F44 VanDerWaalsContact O-N 3.15Å; L42-F44 VanDerWaalsContact C-N 3.33Å; L42-F44 PolarHBondContact O-N 3.34Å; F44-G46 VanDerWaalsContact C-N 3.32Å; F44-G46 PolarHBondContact O-N 3.19Å; F44-V47 PolarHBondContact O-N 3.04Å; F44-L48 HydrophobicContact CD1-CD1 3.91Å; F44-L48 HydrophobicContact CE1-CD1 3.37Å; F44-L48 HydrophobicContact CE1-CG 4.27Å; F44-L48 HydrophobicContact CE2-CD1 4.43Å; F44-L48 HydrophobicContact CZ-CD1 3.67Å; F44-L48 HydrophobicContact CZ-CG 4.26Å; F44-L48 WeakPolarHBondContact O-CG 3.48Å; F44-L48 PolarHBondContact O-N 2.66Å
45L86.2Confident85.6Confident70 Ų7084.1 Ų84.137%0.36646%0.463SS..Hα-helixtrans-63.5-38.7174.9-67.4176.3000111.7W38 L41 L42 L48 A49W38-L45 HydrophobicContact CZ3-CD1 4Å; L41-L45 HydrophobicContact CB-CD1 4.26Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3.49Å; L42-L45 PolarHBondContact O-N 3.22Å; L45-L48 PolarHBondContact O-N 3.32Å; L45-A49 VanDerWaalsContact O-CB 3.24Å; L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 2.75Å
46G89.1Confident86Confident40 Ų4081.8 Ų81.841%0.41245%0.449SS..Hα-helixtrans-61.5-44.4175.900000112.5L42 P43 F44 A49 L50L42-G46 PolarHBondContact O-N 3.38Å; P43-G46 PolarHBondContact O-N 3.47Å; F44-G46 VanDerWaalsContact C-N 3.32Å; F44-G46 PolarHBondContact O-N 3.19Å; G46-A49 PolarHBondContact O-N 3.46Å; G46-L50 VanDerWaalsContact O-CB 3.31Å; G46-L50 WeakPolarHBondContact O-CB 3.36Å; G46-L50 PolarHBondContact O-N 2.98Å
47V89.5Confident86.4Confident83 Ų8385.5 Ų85.550%0.50345%0.453SS..Hα-helixtrans-65.2-45176172.60000111.2P43 F44 A49 L50 L51P43-V47 WeakPolarHBondContact O-CG2 3.35Å; P43-V47 PolarHBondContact O-N 3.42Å; F44-V47 PolarHBondContact O-N 3.04Å; V47-A49 PolarHBondContact O-N 2.63Å; V47-L50 PolarHBondContact O-N 2.92Å; V47-L51 HydrophobicContact CG1-CD1 3.94Å; V47-L51 HydrophobicContact CG1-CG 4.35Å; V47-L51 WeakPolarHBondContact O-CB 3.34Å; V47-L51 WeakPolarHBondContact O-CG 3.24Å; V47-L51 PolarHBondContact O-N 3.18Å
48L89.2Confident86.6Confident89 Ų8986 Ų8647%0.46646%0.461SS..Hα-helixtrans-62.6-42.4177.3-73.1178.8000112.3F44 L45 G52F44-L48 HydrophobicContact CD1-CD1 3.91Å; F44-L48 HydrophobicContact CE1-CD1 3.37Å; F44-L48 HydrophobicContact CE1-CG 4.27Å; F44-L48 HydrophobicContact CE2-CD1 4.43Å; F44-L48 HydrophobicContact CZ-CD1 3.67Å; F44-L48 HydrophobicContact CZ-CG 4.26Å; F44-L48 WeakPolarHBondContact O-CG 3.48Å; F44-L48 PolarHBondContact O-N 2.66Å; L45-L48 PolarHBondContact O-N 3.32Å; L48-G52 PolarHBondContact O-N 3.45Å
49A90.7Very high86.7Confident66 Ų6689.4 Ų89.455%0.54548%0.479SS..Hα-helixtrans-64.1-41.317600000111.7L45 G46 V47 Y53L45-A49 VanDerWaalsContact O-CB 3.24Å; L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 2.75Å; G46-A49 PolarHBondContact O-N 3.46Å; V47-A49 PolarHBondContact O-N 2.63Å; A49-Y53 VanDerWaalsContact O-CB 3.29Å; A49-Y53 WeakPolarHBondContact O-CB 3.19Å; A49-Y53 PolarHBondContact O-N 3.41Å
50L93.3Very high86Confident98 Ų9889.7 Ų89.751%0.51348%0.481SS..Hα-helixtrans-64.4-47.3176.9179.962.6000111.7G46 V47 Y53 L54G46-L50 VanDerWaalsContact O-CB 3.31Å; G46-L50 WeakPolarHBondContact O-CB 3.36Å; G46-L50 PolarHBondContact O-N 2.98Å; V47-L50 PolarHBondContact O-N 2.92Å; L50-Y53 PolarHBondContact O-N 3.34Å; L50-L54 HydrophobicContact CD1-CD1 4.3Å; L50-L54 HydrophobicContact CD1-CG 4.32Å; L50-L54 HydrophobicContact CG-CD1 4.22Å; L50-L54 VanDerWaalsContact O-CG 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.49Å; L50-L54 PolarHBondContact O-N 3.46Å
51L92.9Very high85.1Confident103 Ų10388.8 Ų88.854%0.53948%0.484SS..Hα-helixtrans-63.6-43.3177.7-69.8175.1000111.6V47 L54 A55V47-L51 HydrophobicContact CG1-CD1 3.94Å; V47-L51 HydrophobicContact CG1-CG 4.35Å; V47-L51 WeakPolarHBondContact O-CB 3.34Å; V47-L51 WeakPolarHBondContact O-CG 3.24Å; V47-L51 PolarHBondContact O-N 3.18Å; L51-L54 PolarHBondContact O-N 2.95Å; L51-A55 WeakPolarHBondContact O-CB 3.41Å; L51-A55 PolarHBondContact O-N 2.81Å
52G92.5Very high83.9Confident35 Ų3597.6 Ų97.636%0.36152%0.522SS..Hα-helixtrans-59.8-46.1173.300000112L48 L54 A55 V56L48-G52 PolarHBondContact O-N 3.45Å; G52-L54 PolarHBondContact O-N 3.03Å; G52-A55 PolarHBondContact O-N 2.69Å; G52-V56 VanDerWaalsContact O-CG2 3.24Å; G52-V56 WeakPolarHBondContact O-CG2 3.23Å; G52-V56 PolarHBondContact O-N 2.79Å
53Y89.5Confident82.4Confident135 Ų135102.4 Ų102.453%0.52954%0.539SS..Hα-helixtrans-59.8-48.1175.9174-105.9000111.9A49 L50 A55 V56 R57A49-Y53 VanDerWaalsContact O-CB 3.29Å; A49-Y53 WeakPolarHBondContact O-CB 3.19Å; A49-Y53 PolarHBondContact O-N 3.41Å; L50-Y53 PolarHBondContact O-N 3.34Å; Y53-A55 VanDerWaalsContact C-N 3.32Å; Y53-A55 PolarHBondContact O-N 3.03Å; Y53-V56 PolarHBondContact O-N 2.84Å; Y53-R57 WeakPolarHBondContact O-CA 3.32Å; Y53-R57 WeakPolarHBondContact O-CB 3.46Å; Y53-R57 PolarHBondContact O-N 3.29Å
54L92.6Very high80.8Confident88 Ų88106.1 Ų106.146%0.46155%0.546SS..Hα-helixtrans-63.3-37.3179.1-68.8175.6000112.5L50 L51 G52 P58L50-L54 HydrophobicContact CD1-CD1 4.3Å; L50-L54 HydrophobicContact CD1-CG 4.32Å; L50-L54 HydrophobicContact CG-CD1 4.22Å; L50-L54 VanDerWaalsContact O-CG 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.49Å; L50-L54 PolarHBondContact O-N 3.46Å; L51-L54 PolarHBondContact O-N 2.95Å; G52-L54 PolarHBondContact O-N 3.03Å; L54-P58 WeakPolarHBondContact O-CD 3.21Å
55A91.8Very high79.1Confident59 Ų59111.5 Ų111.549%0.48857%0.572SS.*Hα-helixtrans-68.9-38.4177.600000112.7L51 G52 Y53 P58 F59L51-A55 WeakPolarHBondContact O-CB 3.41Å; L51-A55 PolarHBondContact O-N 2.81Å; G52-A55 PolarHBondContact O-N 2.69Å; Y53-A55 VanDerWaalsContact C-N 3.32Å; Y53-A55 PolarHBondContact O-N 3.03Å; A55-P58 WeakPolarHBondContact O-CD 3.48Å; A55-F59 WeakPolarHBondContact O-CD2 3.48Å
56V87.8Confident77.2Confident69 Ų69116.7 Ų116.742%0.41859%0.594SS.*Hα-helixtrans-91-21.9-177-167.50000111.9G52 Y53 P58 F59 L60G52-V56 VanDerWaalsContact O-CG2 3.24Å; G52-V56 WeakPolarHBondContact O-CG2 3.23Å; G52-V56 PolarHBondContact O-N 2.79Å; Y53-V56 PolarHBondContact O-N 2.84Å; V56-P58 VanDerWaalsContact C-CD 3.49Å; V56-F59 CarbonylContact O-C 3.54Å; V56-F59 WeakPolarHBondContact O-CA 3.42Å; V56-F59 PolarHBondContact O-N 2.74Å; V56-L60 HydrophobicContact CB-CD1 4.16Å; V56-L60 HydrophobicContact CB-CG 4.42Å; V56-L60 HydrophobicContact CG1-CD1 3.55Å; V56-L60 HydrophobicContact CG1-CD2 4.16Å; V56-L60 HydrophobicContact CG1-CG 3.49Å; V56-L60 VanDerWaalsContact CG1-CG 3.49Å; V56-L60 WeakPolarHBondContact O-CB 3.13Å; V56-L60 WeakPolarHBondContact O-CG 3.49Å; V56-L60 PolarHBondContact O-N 2.82Å
57R84.5Confident75.3Confident144 Ų144123.3 Ų123.354%0.54361%0.612SS.*THydrogen-bonded Turntrans-48.7-45.4176.8-178.8179.7-178.7-163.60115.1Y53 F59 L60 Q61Y53-R57 WeakPolarHBondContact O-CA 3.32Å; Y53-R57 WeakPolarHBondContact O-CB 3.46Å; Y53-R57 PolarHBondContact O-N 3.29Å; R57-F59 VanDerWaalsContact C-N 3.29Å; R57-F59 PolarHBondContact O-N 3.01Å; R57-L60 PolarHBondContact O-N 3.41Å; R57-Q61 PolarHBondContact O-N 2.97Å
58P79.9Confident73.6Confident71 Ų71124.5 Ų124.546%0.46162%0.615SS.*THydrogen-bonded Turntrans-66.9-29.9177.525-33.6000112.7L54 A55 V56L54-P58 WeakPolarHBondContact O-CD 3.21Å; A55-P58 WeakPolarHBondContact O-CD 3.48Å; V56-P58 VanDerWaalsContact C-CD 3.49Å
59F79.9Confident72.9Confident177 Ų177124.7 Ų124.778%0.77662%0.624SS**THydrogen-bonded Turntrans-85.3-23.1178-58.2-76.9000113.2A55 V56 R57 Q61A55-F59 WeakPolarHBondContact O-CD2 3.48Å; V56-F59 CarbonylContact O-C 3.54Å; V56-F59 WeakPolarHBondContact O-CA 3.42Å; V56-F59 PolarHBondContact O-N 2.74Å; R57-F59 VanDerWaalsContact C-N 3.29Å; R57-F59 PolarHBondContact O-N 3.01Å; F59-Q61 VanDerWaalsContact C-N 3.31Å
60L67.8Low72.8Confident116 Ų116126.6 Ų126.661%0.60762%0.624SS**THydrogen-bonded Turntrans-88.88.3172.7-67.9176.7000113.1V56 R57 K62V56-L60 HydrophobicContact CB-CD1 4.16Å; V56-L60 HydrophobicContact CB-CG 4.42Å; V56-L60 HydrophobicContact CG1-CD1 3.55Å; V56-L60 HydrophobicContact CG1-CD2 4.16Å; V56-L60 HydrophobicContact CG1-CG 3.49Å; V56-L60 VanDerWaalsContact CG1-CG 3.49Å; V56-L60 WeakPolarHBondContact O-CB 3.13Å; V56-L60 WeakPolarHBondContact O-CG 3.49Å; V56-L60 PolarHBondContact O-N 2.82Å; R57-L60 PolarHBondContact O-N 3.41Å; L60-K62 PolarHBondContact O-N 3.44Å
61Q60.7Low72.9Confident156 Ų156127.2 Ų127.273%0.72963%0.627SS**  trans-58.791.8161.8-73.7-171.5-31.200107.2R57 F59 K63R57-Q61 PolarHBondContact O-N 2.97Å; F59-Q61 VanDerWaalsContact C-N 3.31Å; Q61-K63 PolarHBondContact O-N 3.34Å
62K54.9Low73.1Confident194 Ų194123.3 Ų123.384%0.84361%0.607SS**  trans-46.6119.7173.2-80.9-179.1174.2179.40106L60 K64L60-K62 PolarHBondContact O-N 3.44Å; K62-K64 VanDerWaalsContact C-N 3.28Å; K62-K64 PolarHBondContact O-N 2.99Å
63K51.9Low73.2Confident202 Ų202126.2 Ų126.288%0.87861%0.613SS**  trans-46.5107.4154.9-82.5-174.7176.4-179.10105Q61 Q65Q61-K63 PolarHBondContact O-N 3.34Å; K63-Q65 PolarHBondContact O-N 3.26Å
64K51.6Low73.5Confident168 Ų168128.8 Ų128.873%0.7363%0.627SS**  trans-55.7117-177.2-152.4179.6-176.6-172.60105.4K62 Q66K62-K64 VanDerWaalsContact C-N 3.28Å; K62-K64 PolarHBondContact O-N 2.99Å; K64-Q66 PolarHBondContact O-N 3.12Å
65Q45.3Very low73.7Confident178 Ų178125.9 Ų125.983%0.83261%0.612SS**  trans-68.6102.5-163.2-157.4179.43.600107.9K63 K67K63-Q65 PolarHBondContact O-N 3.26Å; Q65-K67 PolarHBondContact O-N 3.06Å
66Q46.5Very low74Confident179 Ų179126.7 Ų126.784%0.83661%0.606SS**SBendtrans23.933.6147.8-149.1177.6-26.500119.7K64 D68K64-Q66 PolarHBondContact O-N 3.12Å; Q66-D68 VanDerWaalsContact C-N 3.32Å
67K49.1Very low74.4Confident180 Ų180128.7 Ų128.778%0.78361%0.609SS**  trans-89.6-8.9152.8-97.7-177.8173.8177.90110.8Q65 S69Q65-K67 PolarHBondContact O-N 3.06Å; K67-S69 VanDerWaalsContact C-N 3.3Å; K67-S69 PolarHBondContact O-N 2.7Å
68D53.8Low75Confident107 Ų107129.4 Ų129.457%0.57262%0.618SS**THydrogen-bonded Turntrans-81.45.1-169.9-67-29.5000114.2Q66Q66-D68 VanDerWaalsContact C-N 3.32Å
69S73.5Confident75.8Confident93 Ų93129 Ų12965%0.6561%0.612SS**THydrogen-bonded Turntrans-84.5-17.4175.2640000113.9K67 I71K67-S69 VanDerWaalsContact C-N 3.3Å; K67-S69 PolarHBondContact O-N 2.7Å; S69-I71 PolarHBondContact O-N 2.79Å; S69-I71 VanDerWaalsContact O-N 3.13Å
70L90Very high76.5Confident106 Ų106127 Ų12756%0.55562%0.617SS**  trans-72.8108.8179.5-68.5177.5000110.3L73L70-L73 HydrophobicContact CB-CD2 4.22Å
71I94.9Very high77.9Confident112 Ų112129.3 Ų129.357%0.57462%0.622SS**SBendtrans-66.9-52.5178.4-55.7175000110S69 W102 R103S69-I71 PolarHBondContact O-N 2.79Å; S69-I71 VanDerWaalsContact O-N 3.13Å; I71-W102 HydrophobicContact CG2-CG 4.13Å; I71-R103 PolarHBondContact O-NH1 3.37Å; I71-R103 PolarHBondContact O-NH2 2.85Å; I71-R103 VanDerWaalsContact O-NH2 3.07Å
72N96.3Very high79.7Confident21 Ų21123 Ų12311%0.11259%0.594CS.*  trans-87.2124.8176.2178.29.4000110.6K74 I75 K77 W102N72-K74 PolarHBondContact OD1-N 3.47Å; N72-I75 PolarHBondContact ND2-O 3.29Å; N72-I75 WeakPolarHBondContact OD1-CB 3.42Å; N72-I75 PolarHBondContact OD1-N 2.98Å; N72-K77 VanDerWaalsContact O-CE 3.32Å; N72-K77 WeakPolarHBondContact O-CE 3.32Å; N72-K77 PolarHBondContact O-NZ 3.44Å; N72-W102 HydrophobicContact CB-CB 4.06Å; N72-W102 HydrophobicContact CB-CD2 3.66Å; N72-W102 HydrophobicContact CB-CE3 3.5Å; N72-W102 VanDerWaalsContact CB-CE3 3.5Å; N72-W102 HydrophobicContact CB-CG 3.95Å; N72-W102 HydrophobicContact CB-CZ3 4.14Å; N72-W102 WeakPolarHBondContact ND2-CZ3 3.33Å
73L94.8Very high81.7Confident96 Ų96118.2 Ų118.250%0.50358%0.581SS.*SBendtrans-102.9-29.6179.2-60.7179.6000114.1L70 K77L70-L73 HydrophobicContact CB-CD2 4.22Å; L73-K77 WeakPolarHBondContact O-CE 3.32Å
74K95.7Very high83.8Confident188 Ų188111.8 Ų111.882%0.81756%0.556SS**SBendtrans-139.7-19.6-166.4-63.2-174.6-179.9-175.80115.7N72 Q76N72-K74 PolarHBondContact OD1-N 3.47Å; K74-Q76 PolarHBondContact O-N 3.1Å
75I97.5Very high85.9Confident28 Ų28112.1 Ų112.114%0.14456%0.56CS.*SBendtrans-81.8121.6-169.8-63.2162.6000108.7N72 K77 W102 F107N72-I75 PolarHBondContact ND2-O 3.29Å; N72-I75 WeakPolarHBondContact OD1-CB 3.42Å; N72-I75 PolarHBondContact OD1-N 2.98Å; I75-K77 PolarHBondContact O-N 2.9Å; I75-W102 HydrophobicContact CB-CE3 4.17Å; I75-W102 HydrophobicContact CB-CZ3 4.5Å; I75-W102 HydrophobicContact CD1-CB 4.19Å; I75-W102 HydrophobicContact CD1-CE3 4.05Å; I75-W102 HydrophobicContact CG2-CE3 4.36Å; I75-W102 HydrophobicContact CG2-CZ3 4.31Å; I75-F107 HydrophobicContact CD1-CB 3.95Å; I75-F107 HydrophobicContact CD1-CD1 4.24Å; I75-F107 HydrophobicContact CD1-CD2 3.69Å; I75-F107 HydrophobicContact CD1-CE2 4.25Å; I75-F107 HydrophobicContact CD1-CG 3.68Å; I75-F107 HydrophobicContact CG2-CD1 3.71Å; I75-F107 HydrophobicContact CG2-CE1 3.95Å; I75-F107 HydrophobicContact CG2-CG 4.25Å
76Q96.7Very high88Confident76 Ų76107 Ų10736%0.35554%0.538SS..  trans43.260.7170.8-61.2177.722.400113.6K74 E78 N79 V82K74-Q76 PolarHBondContact O-N 3.1Å; Q76-E78 VanDerWaalsContact C-N 3.28Å; Q76-E78 VanDerWaalsContact C-OE2 3.3Å; Q76-E78 WeakPolarHBondContact CA-OE2 3.26Å; Q76-E78 PolarHBondContact O-N 2.84Å; Q76-N79 HydrophobicContact CB-CB 4.2Å; Q76-N79 PolarHBondContact O-N 3.31Å; Q76-V82 HydrophobicContact CB-CG2 3.58Å
77K97.3Very high90Very high110 Ų110103 Ų10348%0.47852%0.522SS..THydrogen-bonded Turntrans-75.6-19.8-174.7-72.8-57.8-165.3169.70113.9N72 L73 I75 N79N72-K77 VanDerWaalsContact O-CE 3.32Å; N72-K77 WeakPolarHBondContact O-CE 3.32Å; N72-K77 PolarHBondContact O-NZ 3.44Å; L73-K77 WeakPolarHBondContact O-CE 3.32Å; I75-K77 PolarHBondContact O-N 2.9Å; K77-N79 VanDerWaalsContact C-N 3.26Å
78E96.7Very high91.7Very high159 Ų15999.8 Ų99.874%0.74351%0.513SS*.THydrogen-bonded Turntrans-68-25.1168.965.6-77.3-179.400112.5Q76Q76-E78 VanDerWaalsContact C-N 3.28Å; Q76-E78 VanDerWaalsContact C-OE2 3.3Å; Q76-E78 WeakPolarHBondContact CA-OE2 3.26Å; Q76-E78 PolarHBondContact O-N 2.84Å
79N96Very high93.1Very high63 Ų63101.4 Ų101.434%0.33752%0.517SS..SBendtrans-87.3120.3178.6-175-15000110Q76 K77 K81 V82Q76-N79 HydrophobicContact CB-CB 4.2Å; Q76-N79 PolarHBondContact O-N 3.31Å; K77-N79 VanDerWaalsContact C-N 3.26Å; N79-K81 PolarHBondContact ND2-O 2.91Å; N79-K81 PolarHBondContact O-N 3.33Å; N79-K81 PolarHBondContact OD1-N 3.49Å; N79-K81 PolarHBondContact OD1-O 2.93Å; N79-V82 HydrophobicContact CB-CG2 4Å
80P96.1Very high93.5Very high134 Ų134102.1 Ų102.187%0.8751%0.513SS*.SBendtrans-62.4-25.6179.426.1-35.4000113
81K97.5Very high93.1Very high165 Ų16597.8 Ų97.872%0.71749%0.49SS*.SBendtrans-149.7103.6177.8-169.6-178.3-171.5179.30111.1N79 V83N79-K81 PolarHBondContact ND2-O 2.91Å; N79-K81 PolarHBondContact O-N 3.33Å; N79-K81 PolarHBondContact OD1-N 3.49Å; N79-K81 PolarHBondContact OD1-O 2.93Å; K81-V83 HydrophobicContact CD-CG2 4.37Å; K81-V83 HydrophobicContact CG-CG2 4.12Å; K81-V83 PolarHBondContact O-N 3.38Å
82V97.8Very high92Very high23 Ų2398.5 Ų98.514%0.13950%0.504CS..  trans-78119.1177.9178.80000109.9Q76 N79 W102 F107Q76-V82 HydrophobicContact CB-CG2 3.58Å; N79-V82 HydrophobicContact CB-CG2 4Å; V82-W102 HydrophobicContact CB-CH2 3.72Å; V82-W102 HydrophobicContact CB-CZ3 3.82Å; V82-W102 HydrophobicContact CG1-CH2 3.94Å; V82-W102 HydrophobicContact CG1-CZ3 3.85Å; V82-W102 HydrophobicContact CG2-CZ3 4.28Å; V82-F107 HydrophobicContact CG1-CE1 4.05Å
83V97.4Very high91Very high94 Ų94103.4 Ų103.457%0.5753%0.53SS*.  trans-128.3139.3177.4-178.10000108K81K81-V83 HydrophobicContact CD-CG2 4.37Å; K81-V83 HydrophobicContact CG-CG2 4.12Å; K81-V83 PolarHBondContact O-N 3.38Å
84N96.1Very high90.3Very high68 Ų68101.9 Ų101.936%0.36453%0.531SS..  trans-124125.6175.9-63.8100.3000109.2F107 P108N84-F107 WeakPolarHBondContact OD1-CE1 3.47Å; N84-P108 HydrophobicContact CB-CB 3.94Å; N84-P108 HydrophobicContact CB-CG 4.15Å
85E93.9Very high89.9Confident175 Ų17599 Ų9982%0.81852%0.518SS*.  trans-98.1138.7175.2-65.7177.2-173.100109.2
86I90.1Very high89.6Confident70 Ų7098.4 Ų98.436%0.35952%0.518SS..  trans-134.4118.7-179.9-57.5-64.9000107L91 Y98I86-L91 HydrophobicContact CG2-CD2 4.46Å; I86-Y98 HydrophobicContact CD1-CD1 4.48Å; I86-Y98 HydrophobicContact CD1-CE1 3.48Å; I86-Y98 VanDerWaalsContact CD1-CE1 3.48Å; I86-Y98 HydrophobicContact CG1-CD1 4.4Å; I86-Y98 HydrophobicContact CG1-CE1 3.65Å; I86-Y98 HydrophobicContact CG2-CE2 4.5Å; I86-Y98 VanDerWaalsContact CG2-OH 3.26Å; I86-Y98 WeakPolarHBondContact CG2-OH 3.25Å
87N88.4Confident89.5Confident95 Ų9596.4 Ų96.451%0.50851%0.514SS..  trans-73.8134.3169.8-59.3-36.8000108.9E89 D90N87-E89 PolarHBondContact O-N 3.42Å; N87-D90 HydrophobicContact CB-CB 4.24Å; N87-D90 WeakPolarHBondContact CB-OD2 3.27Å; N87-D90 PolarHBondContact ND2-OD2 3.47Å; N87-D90 PolarHBondContact O-N 2.9Å
88I85.8Confident89.5Confident113 Ų11393.3 Ų93.358%0.57950%0.5SS*.SBendtrans-72.8-27.8-176.7-60.6177.6000110D90 L91I88-D90 VanDerWaalsContact C-N 3.34Å; I88-L91 HydrophobicContact CB-CD1 4.47Å; I88-L91 HydrophobicContact CG2-CD1 4.11Å; I88-L91 WeakPolarHBondContact O-CB 3.18Å; I88-L91 PolarHBondContact O-N 3.01Å
89E82.5Confident89.6Confident141 Ų14186.6 Ų86.666%0.65947%0.47SS*.THydrogen-bonded Turntrans-65.1-39.8179.6-59.671.1-153.200111.1N87 L91N87-E89 PolarHBondContact O-N 3.42Å; E89-L91 PolarHBondContact O-N 3.22Å
90D81.4Confident89.7Confident108 Ų10890.6 Ų90.658%0.57848%0.481SS*.THydrogen-bonded Turntrans-77.3-0.3-177.6-62.5-26000113.2N87 I88 C92N87-D90 HydrophobicContact CB-CB 4.24Å; N87-D90 WeakPolarHBondContact CB-OD2 3.27Å; N87-D90 PolarHBondContact ND2-OD2 3.47Å; N87-D90 PolarHBondContact O-N 2.9Å; I88-D90 VanDerWaalsContact C-N 3.34Å; D90-C92 VanDerWaalsContact C-N 3.32Å; D90-C92 PolarHBondContact O-N 3.28Å; D90-C92 PolarHBondContact O-SG 2.88Å
91L82.2Confident89.8Confident14 Ų1484.5 Ų84.57%0.07344%0.441CS..  trans-68.990.9172.1-71.1164.6000109.6I86 I88 E89 L93 A96 Y98 L130I86-L91 HydrophobicContact CG2-CD2 4.46Å; I88-L91 HydrophobicContact CB-CD1 4.47Å; I88-L91 HydrophobicContact CG2-CD1 4.11Å; I88-L91 WeakPolarHBondContact O-CB 3.18Å; I88-L91 PolarHBondContact O-N 3.01Å; E89-L91 PolarHBondContact O-N 3.22Å; L91-L93 PolarHBondContact O-N 3.39Å; L91-A96 HydrophobicContact CD2-CB 3.53Å; L91-Y98 HydrophobicContact CD2-CE2 4.34Å; L91-L130 HydrophobicContact CD1-CB 4.41Å; L91-L130 HydrophobicContact CD1-CD1 4.46Å
92C72.1Confident89.8Confident128 Ų12879.7 Ų79.787%0.86542%0.418SS*.  trans-65-26.6176.9-59.10000113D90D90-C92 VanDerWaalsContact C-N 3.32Å; D90-C92 PolarHBondContact O-N 3.28Å; D90-C92 PolarHBondContact O-SG 2.88Å
93L75.9Confident89.8Confident124 Ų12481.9 Ų81.965%0.64942%0.424SS*.SBendtrans-100.5142.4-178.2-63.1172.2000110.4L91 K95L91-L93 PolarHBondContact O-N 3.39Å; L93-K95 PolarHBondContact O-N 2.94Å
94A79.8Confident89.9Confident64 Ų6477.8 Ų77.853%0.52940%0.4SS..SBendtrans-56.8-24.8173.600000112.8K131 K132A94-K131 WeakPolarHBondContact O-CA 3.42Å; A94-K132 PolarHBondContact O-N 3Å
95K85.9Confident89.9Confident126 Ų12683.9 Ų83.955%0.54842%0.423SS..EExtended strand (participates in β ladder)trans-140.7123178.9-172.6-176.9-179-171.90110L93 I129 L130 K131L93-K95 PolarHBondContact O-N 2.94Å; K95-I129 HydrophobicContact CD-CG2 4.11Å; K95-I129 VanDerWaalsContact CE-CG2 3.4Å; K95-I129 HydrophobicContact CG-CG2 3.65Å; K95-L130 WeakPolarHBondContact CA-O 3.44Å; K95-K131 HydrophobicContact CG-CG 4.33Å
96A92.1Very high90.1Very high16 Ų1679.4 Ų79.413%0.13241%0.408CS..EExtended strand (participates in β ladder)trans-118.1142172.300000110.2L91 Y98 I129 L130L91-A96 HydrophobicContact CD2-CB 3.53Å; A96-Y98 HydrophobicContact CB-CD2 4.46Å; A96-Y98 HydrophobicContact CB-CE2 3.73Å; A96-I129 CarbonylContact O-C 3.54Å; A96-I129 WeakPolarHBondContact O-CA 3.27Å; A96-L130 PolarHBondContact N-O 3.22Å; A96-L130 PolarHBondContact O-N 3.02Å
97A95.6Very high90.4Very high34 Ų3478 Ų7828%0.28140%0.399SS..EExtended strand (participates in β ladder)trans-115.7125.8178.200000109.7C110 P127 L128 I129A97-C110 HydrophobicContact CB-CB 3.86Å; A97-C110 PolarHBondContact O-N 3.39Å; A97-P127 HydrophobicContact CB-CB 4.3Å; A97-L128 CarbonylContact C-O 3.59Å; A97-L128 WeakPolarHBondContact CA-O 3.41Å; A97-I129 HydrophobicContact CB-CD1 3.49Å; A97-I129 VanDerWaalsContact CB-CD1 3.49Å
98Y97Very high90.8Very high46 Ų4675.4 Ų75.418%0.1839%0.387CS..EExtended strand (participates in β ladder)trans-111.5141.3-180-71.2-85.5000111.5I86 L91 A96 P108 P127 L128 L130I86-Y98 HydrophobicContact CD1-CD1 4.48Å; I86-Y98 HydrophobicContact CD1-CE1 3.48Å; I86-Y98 VanDerWaalsContact CD1-CE1 3.48Å; I86-Y98 HydrophobicContact CG1-CD1 4.4Å; I86-Y98 HydrophobicContact CG1-CE1 3.65Å; I86-Y98 HydrophobicContact CG2-CE2 4.5Å; I86-Y98 VanDerWaalsContact CG2-OH 3.26Å; I86-Y98 WeakPolarHBondContact CG2-OH 3.25Å; L91-Y98 HydrophobicContact CD2-CE2 4.34Å; A96-Y98 HydrophobicContact CB-CD2 4.46Å; A96-Y98 HydrophobicContact CB-CE2 3.73Å; Y98-P108 WeakPolarHBondContact CA-O 3.26Å; Y98-P108 HydrophobicContact CD1-CB 4.3Å; Y98-P127 CarbonylContact O-C 3.56Å; Y98-P127 WeakPolarHBondContact O-CA 3.36Å; Y98-P127 VanDerWaalsContact O-CB 3.25Å; Y98-P127 WeakPolarHBondContact O-CB 3.34Å; Y98-L128 PolarHBondContact N-O 3.37Å; Y98-L128 PolarHBondContact O-N 3.04Å; Y98-L130 HydrophobicContact CD2-CD1 3.88Å; Y98-L130 HydrophobicContact CD2-CG 4.06Å; Y98-L130 HydrophobicContact CE2-CD1 3.67Å; Y98-L130 HydrophobicContact CE2-CG 4.18Å
99C98.3Very high91.3Very high17 Ų1771.8 Ų71.812%0.11538%0.375CS..  trans-72134.5-175.2-173.80000111.4C101 W102 F107 P108 A109C99-C101 PolarHBondContact SG-N 3.03Å; C99-C101 PolarHBondContact SG-SG 3.39Å; C99-W102 PolarHBondContact SG-N 3.29Å; C99-W102 VanDerWaalsContact SG-N 3.39Å; C99-F107 HydrophobicContact CB-CD2 3.79Å; C99-F107 HydrophobicContact CB-CE2 4.13Å; C99-P108 PolarHBondContact N-O 2.97Å; C99-A109 WeakPolarHBondContact CB-O 3.47Å
100R98.3Very high92Very high148 Ų14866.5 Ų66.556%0.55835%0.352SS*.SBendtrans-117.2-6.4167.5-60.4-169.1-64.8172.8-0.4113.7G126 L128R100-G126 PolarHBondContact NE-O 2.77Å; R100-G126 PolarHBondContact NH2-O 3.39Å; R100-L128 HydrophobicContact CG-CB 4.35Å
101C97.7Very high92.8Very high6 Ų664.3 Ų64.34%0.04134%0.341CS..SBendtrans-93.8-9.4-17669.60000114.2C99 R103 H114 V125C99-C101 PolarHBondContact SG-N 3.03Å; C99-C101 PolarHBondContact SG-SG 3.39Å; C101-R103 HydrophobicContact CB-CG 4.46Å; C101-R103 PolarHBondContact O-N 2.91Å; C101-R103 PolarHBondContact O-NH1 2.9Å; C101-H114 HydrophobicContact CB-CB 3.98Å; C101-V125 HydrophobicContact CB-CG2 3.75Å
102W98.2Very high93.5Very high64 Ų6464.8 Ų64.824%0.24235%0.349CS..SBendtrans56.229.5-176.1-59.178.7000114.3I71 N72 I75 V82 C99 F107I71-W102 HydrophobicContact CG2-CG 4.13Å; N72-W102 HydrophobicContact CB-CB 4.06Å; N72-W102 HydrophobicContact CB-CD2 3.66Å; N72-W102 HydrophobicContact CB-CE3 3.5Å; N72-W102 VanDerWaalsContact CB-CE3 3.5Å; N72-W102 HydrophobicContact CB-CG 3.95Å; N72-W102 HydrophobicContact CB-CZ3 4.14Å; N72-W102 WeakPolarHBondContact ND2-CZ3 3.33Å; I75-W102 HydrophobicContact CB-CE3 4.17Å; I75-W102 HydrophobicContact CB-CZ3 4.5Å; I75-W102 HydrophobicContact CD1-CB 4.19Å; I75-W102 HydrophobicContact CD1-CE3 4.05Å; I75-W102 HydrophobicContact CG2-CE3 4.36Å; I75-W102 HydrophobicContact CG2-CZ3 4.31Å; V82-W102 HydrophobicContact CB-CH2 3.72Å; V82-W102 HydrophobicContact CB-CZ3 3.82Å; V82-W102 HydrophobicContact CG1-CH2 3.94Å; V82-W102 HydrophobicContact CG1-CZ3 3.85Å; V82-W102 HydrophobicContact CG2-CZ3 4.28Å; C99-W102 PolarHBondContact SG-N 3.29Å; C99-W102 VanDerWaalsContact SG-N 3.39Å; W102-F107 HydrophobicContact CD2-CE2 4.2Å; W102-F107 HydrophobicContact CD2-CZ 4.3Å; W102-F107 HydrophobicContact CE3-CE2 4.07Å; W102-F107 AromaticContact CE3-CZ 3.88Å; W102-F107 HydrophobicContact CE3-CZ 3.88Å; W102-F107 HydrophobicContact CH2-CZ 4.08Å; W102-F107 HydrophobicContact CZ2-CZ 4.49Å; W102-F107 HydrophobicContact CZ3-CE1 4.23Å; W102-F107 HydrophobicContact CZ3-CE2 4.42Å; W102-F107 AromaticContact CZ3-CZ 3.77Å; W102-F107 HydrophobicContact CZ3-CZ 3.77Å
103R97.8Very high94.7Very high69 Ų6960.1 Ų60.126%0.2632%0.318SS..  trans-114.1-8.7175.7-58.9-68.6172.8-87.7-2.9113.3I71 C101 S113 H117I71-R103 PolarHBondContact O-NH1 3.37Å; I71-R103 PolarHBondContact O-NH2 2.85Å; I71-R103 VanDerWaalsContact O-NH2 3.07Å; C101-R103 HydrophobicContact CB-CG 4.46Å; C101-R103 PolarHBondContact O-N 2.91Å; C101-R103 PolarHBondContact O-NH1 2.9Å; R103-S113 WeakPolarHBondContact O-CB 3.49Å; R103-S113 PolarHBondContact O-OG 3.47Å; R103-H117 HydrophobicContact CG-CB 4.16Å
104S98Very high95.8Very high8 Ų855.3 Ų55.36%0.05629%0.292CS..  trans-68.7138.2-174.4-165.20000112.1T106 A109 D111S104-T106 VanDerWaalsContact C-N 3.35Å; S104-T106 PolarHBondContact OG-N 3.48Å; S104-A109 VanDerWaalsContact CB-O 3.3Å; S104-A109 WeakPolarHBondContact CB-O 3.29Å; S104-A109 PolarHBondContact OG-O 2.95Å; S104-D111 WeakPolarHBondContact CA-OD1 3.24Å; S104-D111 WeakPolarHBondContact CB-OD1 3.19Å; S104-D111 PolarHBondContact OG-N 3.33Å; S104-D111 PolarHBondContact OG-OD1 3.39Å; S104-D111 PolarHBondContact OG-OD2 3.45Å
105K97.4Very high96.7Very high195 Ų19557.1 Ų57.185%0.84829%0.293SS*.THydrogen-bonded Turntrans-75.8-26.5173.4-65.1178.3-178178.80112.1D111K105-D111 PolarHBondContact N-OD2 3.03Å
106T96.8Very high97.2Very high82 Ų8258 Ų5850%0.50330%0.297SS..THydrogen-bonded Turntrans-101.828.3177.356.10000111.9S104 A109S104-T106 VanDerWaalsContact C-N 3.35Å; S104-T106 PolarHBondContact OG-N 3.48Å; T106-A109 WeakPolarHBondContact O-CA 3.31Å; T106-A109 WeakPolarHBondContact O-CB 3.48Å; T106-A109 PolarHBondContact O-N 2.85Å
107F97.6Very high97.4Very high41 Ų4158.7 Ų58.718%0.1830%0.297CS..THydrogen-bonded Turntrans-51.8129.6178.6-172-88.8000110.7I75 V82 N84 C99 W102I75-F107 HydrophobicContact CD1-CB 3.95Å; I75-F107 HydrophobicContact CD1-CD1 4.24Å; I75-F107 HydrophobicContact CD1-CD2 3.69Å; I75-F107 HydrophobicContact CD1-CE2 4.25Å; I75-F107 HydrophobicContact CD1-CG 3.68Å; I75-F107 HydrophobicContact CG2-CD1 3.71Å; I75-F107 HydrophobicContact CG2-CE1 3.95Å; I75-F107 HydrophobicContact CG2-CG 4.25Å; V82-F107 HydrophobicContact CG1-CE1 4.05Å; N84-F107 WeakPolarHBondContact OD1-CE1 3.47Å; C99-F107 HydrophobicContact CB-CD2 3.79Å; C99-F107 HydrophobicContact CB-CE2 4.13Å; W102-F107 HydrophobicContact CD2-CE2 4.2Å; W102-F107 HydrophobicContact CD2-CZ 4.3Å; W102-F107 HydrophobicContact CE3-CE2 4.07Å; W102-F107 AromaticContact CE3-CZ 3.88Å; W102-F107 HydrophobicContact CE3-CZ 3.88Å; W102-F107 HydrophobicContact CH2-CZ 4.08Å; W102-F107 HydrophobicContact CZ2-CZ 4.49Å; W102-F107 HydrophobicContact CZ3-CE1 4.23Å; W102-F107 HydrophobicContact CZ3-CE2 4.42Å; W102-F107 AromaticContact CZ3-CZ 3.77Å; W102-F107 HydrophobicContact CZ3-CZ 3.77Å
108P96.4Very high97.4Very high39 Ų3958.6 Ų58.625%0.25329%0.292SS..THydrogen-bonded Turncis-86.8-5.818.633.9-37.3000116.4N84 Y98 C99N84-P108 HydrophobicContact CB-CB 3.94Å; N84-P108 HydrophobicContact CB-CG 4.15Å; Y98-P108 WeakPolarHBondContact CA-O 3.26Å; Y98-P108 HydrophobicContact CD1-CB 4.3Å; C99-P108 PolarHBondContact N-O 2.97Å
109A96.2Very high97.4Very high38 Ų3864.3 Ų64.331%0.31432%0.32SS..BIsolated β-bridgetrans-69.2160.3177.300000111.6C99 S104 T106C99-A109 WeakPolarHBondContact CB-O 3.47Å; S104-A109 VanDerWaalsContact CB-O 3.3Å; S104-A109 WeakPolarHBondContact CB-O 3.29Å; S104-A109 PolarHBondContact OG-O 2.95Å; T106-A109 WeakPolarHBondContact O-CA 3.31Å; T106-A109 WeakPolarHBondContact O-CB 3.48Å; T106-A109 PolarHBondContact O-N 2.85Å
110C97.6Very high97.1Very high29 Ų2969.6 Ų69.620%0.19635%0.347CS..  trans-95.6122.7174.1175.70000111.2A97 G112 H114 P127A97-C110 HydrophobicContact CB-CB 3.86Å; A97-C110 PolarHBondContact O-N 3.39Å; C110-G112 PolarHBondContact SG-N 3.47Å; C110-G112 VanDerWaalsContact SG-N 3.44Å; C110-H114 VanDerWaalsContact SG-CE1 3.58Å; C110-H114 PolarHBondContact SG-ND1 3.43Å; C110-P127 HydrophobicContact CB-CB 3.77Å
111D97.6Very high96.7Very high63 Ų6366.5 Ų66.534%0.33735%0.345SS..  trans-103.87.1174.966.1-11.4000114.1S104 K105 S113S104-D111 WeakPolarHBondContact CA-OD1 3.24Å; S104-D111 WeakPolarHBondContact CB-OD1 3.19Å; S104-D111 PolarHBondContact OG-N 3.33Å; S104-D111 PolarHBondContact OG-OD1 3.39Å; S104-D111 PolarHBondContact OG-OD2 3.45Å; K105-D111 PolarHBondContact N-OD2 3.03Å; D111-S113 WeakPolarHBondContact OD1-CB 3.34Å; D111-S113 PolarHBondContact OD1-N 3.36Å; D111-S113 PolarHBondContact OD1-OG 3.45Å; D111-S113 PolarHBondContact OD2-OG 3.43Å
112G97.5Very high96.4Very high24 Ų2469.8 Ų69.825%0.24738%0.379CS..SBendtrans86.61.5-176.800000115.2C110 H114 N115C110-G112 PolarHBondContact SG-N 3.47Å; C110-G112 VanDerWaalsContact SG-N 3.44Å; G112-H114 PolarHBondContact O-N 2.93Å; G112-N115 PolarHBondContact O-N 3.14Å; G112-N115 PolarHBondContact O-ND2 2.81Å
113S98.2Very high96.2Very high30 Ų3069.8 Ų69.821%0.2138%0.384CS..Hα-helixtrans-58.6-17.7179.3-67.70000114.8R103 D111 N115 H117R103-S113 WeakPolarHBondContact O-CB 3.49Å; R103-S113 PolarHBondContact O-OG 3.47Å; D111-S113 WeakPolarHBondContact OD1-CB 3.34Å; D111-S113 PolarHBondContact OD1-N 3.36Å; D111-S113 PolarHBondContact OD1-OG 3.45Å; D111-S113 PolarHBondContact OD2-OG 3.43Å; S113-N115 VanDerWaalsContact C-N 3.27Å; S113-N115 PolarHBondContact O-N 2.83Å; S113-H117 PolarHBondContact O-N 3.47Å
114H97.9Very high96.2Very high23 Ų2373.5 Ų73.511%0.10641%0.409CS..Hα-helixtrans-63.2-30174.260.6-89.9000112.9C101 C110 G112 K116 H117 N118 V125C101-H114 HydrophobicContact CB-CB 3.98Å; C110-H114 VanDerWaalsContact SG-CE1 3.58Å; C110-H114 PolarHBondContact SG-ND1 3.43Å; G112-H114 PolarHBondContact O-N 2.93Å; H114-K116 PolarHBondContact O-N 3.41Å; H114-H117 PolarHBondContact O-N 3.15Å; H114-N118 WeakPolarHBondContact O-CB 3.33Å; H114-N118 PolarHBondContact O-N 3.26Å; H114-N118 PolarHBondContact O-OD1 3.18Å; H114-V125 HydrophobicContact CB-CG2 4.37Å
115N98.1Very high96.2Very high101 Ų10175.2 Ų75.254%0.5442%0.419SS..Hα-helixtrans-60.7-49.1179-67.9-37.6000111.4G112 S113 H117 N118 E119G112-N115 PolarHBondContact O-N 3.14Å; G112-N115 PolarHBondContact O-ND2 2.81Å; S113-N115 VanDerWaalsContact C-N 3.27Å; S113-N115 PolarHBondContact O-N 2.83Å; N115-H117 VanDerWaalsContact C-N 3.31Å; N115-H117 PolarHBondContact O-N 3.36Å; N115-N118 PolarHBondContact O-N 3.47Å; N115-E119 WeakPolarHBondContact O-CB 3.33Å; N115-E119 PolarHBondContact O-N 3.43Å
116K97.3Very high96.2Very high144 Ų14466.8 Ų66.863%0.62639%0.388SS*.Hα-helixtrans-63.6-37.5176.7-177.3173-177.6171.70112H114 L120H114-K116 PolarHBondContact O-N 3.41Å; K116-L120 HydrophobicContact CG-CD1 3.87Å; K116-L120 HydrophobicContact CG-CG 4.4Å; K116-L120 WeakPolarHBondContact O-CB 3.34Å; K116-L120 VanDerWaalsContact O-CG 3.23Å; K116-L120 WeakPolarHBondContact O-CG 3.34Å; K116-L120 PolarHBondContact O-N 3.41Å; K116-L120 VanDerWaalsContact O-N 3.12Å
117H95.7Very high96.3Very high32 Ų3264.6 Ų64.615%0.14838%0.375CS..Hα-helixtrans-63.2-48.4175.4172.284.4000111.2R103 S113 H114 N115 L120 T121 D123R103-H117 HydrophobicContact CG-CB 4.16Å; S113-H117 PolarHBondContact O-N 3.47Å; H114-H117 PolarHBondContact O-N 3.15Å; N115-H117 VanDerWaalsContact C-N 3.31Å; N115-H117 PolarHBondContact O-N 3.36Å; H117-L120 PolarHBondContact O-N 3.04Å; H117-T121 WeakPolarHBondContact O-CB 3.48Å; H117-T121 WeakPolarHBondContact O-CG2 3.32Å; H117-T121 PolarHBondContact O-N 3.35Å; H117-T121 PolarHBondContact O-OG1 3.15Å; H117-D123 IonicContact CD2-OD2 3.53Å; H117-D123 IonicContact CE1-OD2 3.91Å; H117-D123 IonicContact NE2-OD2 2.79Å; H117-D123 PolarHBondContact NE2-OD2 2.84Å
118N96.9Very high96.3Very high31 Ų3166.8 Ų66.817%0.16639%0.388CS..Hα-helixtrans-60.5-46.5178.2-69.2-4.4000111.5H114 N115 L120 T121 G122 D123 V125H114-N118 WeakPolarHBondContact O-CB 3.33Å; H114-N118 PolarHBondContact O-N 3.26Å; H114-N118 PolarHBondContact O-OD1 3.18Å; N115-N118 PolarHBondContact O-N 3.47Å; N118-L120 PolarHBondContact O-N 2.89Å; N118-T121 PolarHBondContact O-N 3.38Å; N118-G122 VanDerWaalsContact O-CA 3.32Å; N118-G122 WeakPolarHBondContact O-CA 2.98Å; N118-G122 PolarHBondContact O-N 3.48Å; N118-D123 WeakPolarHBondContact CB-O 3.41Å; N118-D123 PolarHBondContact O-N 3.23Å; N118-D123 PolarHBondContact OD1-O 3.09Å; N118-V125 PolarHBondContact ND2-O 2.9Å; N118-V125 VanDerWaalsContact OD1-CG2 3.23Å; N118-V125 WeakPolarHBondContact OD1-CG2 3.39Å; N118-V125 PolarHBondContact OD1-N 2.73Å
119E95.3Very high96.2Very high166 Ų16668.2 Ų68.278%0.77639%0.392SS*.Hα-helixtrans-59.3-43.2177.8-174.2-176.6-178.500112.6N115N115-E119 WeakPolarHBondContact O-CB 3.33Å; N115-E119 PolarHBondContact O-N 3.43Å
120L92Very high96Very high128 Ų12869 Ų6967%0.6739%0.392SS*.Hα-helixtrans-77.6-26.5-177.3-69.4173.8000113.9K116 H117 N118K116-L120 HydrophobicContact CG-CD1 3.87Å; K116-L120 HydrophobicContact CG-CG 4.4Å; K116-L120 WeakPolarHBondContact O-CB 3.34Å; K116-L120 VanDerWaalsContact O-CG 3.23Å; K116-L120 WeakPolarHBondContact O-CG 3.34Å; K116-L120 PolarHBondContact O-N 3.41Å; K116-L120 VanDerWaalsContact O-N 3.12Å; H117-L120 PolarHBondContact O-N 3.04Å; N118-L120 PolarHBondContact O-N 2.89Å
121T90.6Very high95.7Very high84 Ų8475.3 Ų75.352%0.51542%0.415SS..Hα-helixtrans-112.2-14.5-171.261.30000113.9H117 N118 D123H117-T121 WeakPolarHBondContact O-CB 3.48Å; H117-T121 WeakPolarHBondContact O-CG2 3.32Å; H117-T121 PolarHBondContact O-N 3.35Å; H117-T121 PolarHBondContact O-OG1 3.15Å; N118-T121 PolarHBondContact O-N 3.38Å; T121-D123 WeakPolarHBondContact OG1-CB 3.2Å; T121-D123 PolarHBondContact OG1-N 3.07Å
122G91.4Very high95.1Very high74 Ų7477.3 Ų77.376%0.76342%0.421SS*.  trans72.615.5-16900000113.7N118N118-G122 VanDerWaalsContact O-CA 3.32Å; N118-G122 WeakPolarHBondContact O-CA 2.98Å; N118-G122 PolarHBondContact O-N 3.48Å
123D94.9Very high94.3Very high64 Ų6485 Ų8534%0.34245%0.448SS..  trans-78.3168.5177.9-162.71.3000111.8H117 N118 T121H117-D123 IonicContact CD2-OD2 3.53Å; H117-D123 IonicContact CE1-OD2 3.91Å; H117-D123 IonicContact NE2-OD2 2.79Å; H117-D123 PolarHBondContact NE2-OD2 2.84Å; N118-D123 WeakPolarHBondContact CB-O 3.41Å; N118-D123 PolarHBondContact O-N 3.23Å; N118-D123 PolarHBondContact OD1-O 3.09Å; T121-D123 WeakPolarHBondContact OG1-CB 3.2Å; T121-D123 PolarHBondContact OG1-N 3.07Å
124N97.1Very high93Very high147 Ų14791.9 Ų91.979%0.78648%0.477SS*.  trans-13225.1-175.369.5-11.3000113.7
125V97.9Very high91.6Very high44 Ų44100.8 Ų100.827%0.26753%0.532SS..  trans-69.5152.6179.3-66.50000112.4C101 H114 N118C101-V125 HydrophobicContact CB-CG2 3.75Å; H114-V125 HydrophobicContact CB-CG2 4.37Å; N118-V125 PolarHBondContact ND2-O 2.9Å; N118-V125 VanDerWaalsContact OD1-CG2 3.23Å; N118-V125 WeakPolarHBondContact OD1-CG2 3.39Å; N118-V125 PolarHBondContact OD1-N 2.73Å
126G98Very high91.2Very high19 Ų19100.8 Ų100.820%0.19653%0.532CS..  trans-149.5170.5176.700000112.5R100R100-G126 PolarHBondContact NE-O 2.77Å; R100-G126 PolarHBondContact NH2-O 3.39Å
127P98.1Very high90.9Very high35 Ų3598.5 Ų98.523%0.22753%0.527CS..  trans-71.8164.3-177.330.1-34.6000113.1A97 Y98 C110 I129A97-P127 HydrophobicContact CB-CB 4.3Å; Y98-P127 CarbonylContact O-C 3.56Å; Y98-P127 WeakPolarHBondContact O-CA 3.36Å; Y98-P127 VanDerWaalsContact O-CB 3.25Å; Y98-P127 WeakPolarHBondContact O-CB 3.34Å; C110-P127 HydrophobicContact CB-CB 3.77Å; P127-I129 HydrophobicContact CB-CD1 4.23Å; P127-I129 HydrophobicContact CG-CD1 3.87Å
128L97.3Very high90.7Very high88 Ų88102.2 Ų102.246%0.46155%0.548SS..EExtended strand (participates in β ladder)trans-87.9126.8161.1176.363.6000108.3A97 Y98 R100 L130A97-L128 CarbonylContact C-O 3.59Å; A97-L128 WeakPolarHBondContact CA-O 3.41Å; Y98-L128 PolarHBondContact N-O 3.37Å; Y98-L128 PolarHBondContact O-N 3.04Å; R100-L128 HydrophobicContact CG-CB 4.35Å; L128-L130 HydrophobicContact CD2-CD2 4.12Å; L128-L130 HydrophobicContact CG-CD2 4.12Å
129I94.9Very high90.3Very high68 Ų68106.4 Ų106.435%0.34957%0.57SS.*EExtended strand (participates in β ladder)trans-104.2116.5178.8-55.8-57.6000108.9K95 A96 A97 P127 K131K95-I129 HydrophobicContact CD-CG2 4.11Å; K95-I129 VanDerWaalsContact CE-CG2 3.4Å; K95-I129 HydrophobicContact CG-CG2 3.65Å; A96-I129 CarbonylContact O-C 3.54Å; A96-I129 WeakPolarHBondContact O-CA 3.27Å; A97-I129 HydrophobicContact CB-CD1 3.49Å; A97-I129 VanDerWaalsContact CB-CD1 3.49Å; P127-I129 HydrophobicContact CB-CD1 4.23Å; P127-I129 HydrophobicContact CG-CD1 3.87Å; I129-K131 HydrophobicContact CG2-CG 4.11Å
130L92.5Very high90Very high56 Ų56102.7 Ų102.729%0.29356%0.558SS.*EExtended strand (participates in β ladder)trans-96127.2169.9-57.7-174.4000108.5L91 K95 A96 Y98 L128L91-L130 HydrophobicContact CD1-CB 4.41Å; L91-L130 HydrophobicContact CD1-CD1 4.46Å; K95-L130 WeakPolarHBondContact CA-O 3.44Å; A96-L130 PolarHBondContact N-O 3.22Å; A96-L130 PolarHBondContact O-N 3.02Å; Y98-L130 HydrophobicContact CD2-CD1 3.88Å; Y98-L130 HydrophobicContact CD2-CG 4.06Å; Y98-L130 HydrophobicContact CE2-CD1 3.67Å; Y98-L130 HydrophobicContact CE2-CG 4.18Å; L128-L130 HydrophobicContact CD2-CD2 4.12Å; L128-L130 HydrophobicContact CG-CD2 4.12Å
131K90Very high89.8Confident160 Ų160101 Ų10170%0.69655%0.55SS**EExtended strand (participates in β ladder)trans-114.8125.3175.2-65.5-176.6-178.7179.50108.5A94 K95 I129A94-K131 WeakPolarHBondContact O-CA 3.42Å; K95-K131 HydrophobicContact CG-CG 4.33Å; I129-K131 HydrophobicContact CG2-CG 4.11Å
132K85.2Confident89.8Confident105 Ų105102.2 Ų102.246%0.45755%0.553SS.*PPolyproline II helixtrans-76.2124.6169.7-168.6168.6-177.2168.10107.2A94 E134A94-K132 PolarHBondContact O-N 3Å; K132-E134 PolarHBondContact O-N 3.2Å
133K80.4Confident89.7Confident185 Ų185104.4 Ų104.480%0.80454%0.536SS*.PPolyproline II helixtrans-69.1128.7173.8-167.1-179.6177.1-174.20107.3V135K133-V135 PolarHBondContact O-N 3.46Å
134E71.4Confident89.2Confident176 Ų176107.8 Ų107.882%0.82255%0.553SS**PPolyproline II helixtrans-64.5123.7167.5-67.9177.1-177.600107.2K132K132-E134 PolarHBondContact O-N 3.2Å
135V68Low88.5Confident210 Ų210104.2 Ų104.2100%1.27353%0.531SS*.  trans-93.70177.4179.80000108.2K133K133-V135 PolarHBondContact O-N 3.46Å

Retrieved 135 of 135 residues in 70.6 ms (Link to these results)