A0A077ZCM2_TRITR Loading...

DUF842 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCM2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 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
1M76.8Confident89.4Confident151 Ų15183.9 Ų83.974%0.74441%0.407SS*.  0-56.20-168.2175.2-17600111.4L3 K4 L5 L107 L110M1-L3 PolarHBondContact O-N 3.26Å; M1-K4 PolarHBondContact O-N 2.99Å; M1-L5 PolarHBondContact O-N 2.62Å; M1-L107 HydrophobicContact CB-CD2 4.28Å; M1-L107 HydrophobicContact SD-CD2 4.06Å; M1-L110 HydrophobicContact CG-CD1 4.48Å
2L81.2Confident89.9Confident69 Ų6982.5 Ų82.536%0.36141%0.408SS..Hα-helixtrans-52.2-50178.3179.162.3000114K4 L5 I6 L110L2-K4 VanDerWaalsContact C-N 3.33Å; L2-K4 PolarHBondContact O-N 3.48Å; L2-L5 WeakPolarHBondContact O-CB 3.34Å; L2-L5 PolarHBondContact O-N 3.05Å; L2-L5 VanDerWaalsContact O-N 3.09Å; L2-I6 HydrophobicContact CD1-CD1 3.9Å; L2-I6 HydrophobicContact CD1-CG1 4.21Å; L2-I6 HydrophobicContact CG-CD1 3.89Å; L2-I6 WeakPolarHBondContact O-CG1 3.47Å; L2-I6 PolarHBondContact O-N 3.31Å; L2-L110 HydrophobicContact CB-CD1 4.19Å; L2-L110 HydrophobicContact CD1-CD1 4.26Å; L2-L110 HydrophobicContact CD1-CD2 3.65Å
3L86.6Confident90.2Very high126 Ų12678.8 Ų78.866%0.6639%0.389SS*.Hα-helixtrans-56.5-44.4179.4-67.7175000112.7M1 L5 I6 E7M1-L3 PolarHBondContact O-N 3.26Å; L3-L5 VanDerWaalsContact C-N 3.3Å; L3-L5 PolarHBondContact O-N 3.25Å; L3-I6 PolarHBondContact O-N 2.69Å; L3-E7 WeakPolarHBondContact O-CB 3.48Å; L3-E7 WeakPolarHBondContact O-CG 3.4Å; L3-E7 PolarHBondContact O-N 2.84Å
4K90.5Very high90.5Very high164 Ų16475.7 Ų75.771%0.71337%0.374SS*.Hα-helixtrans-61.5-37.8177.7-67.4-173.3175.8-1760112.4M1 L2 D8M1-K4 PolarHBondContact O-N 2.99Å; L2-K4 VanDerWaalsContact C-N 3.33Å; L2-K4 PolarHBondContact O-N 3.48Å; K4-D8 VanDerWaalsContact O-CB 3.31Å; K4-D8 WeakPolarHBondContact O-CB 3.23Å; K4-D8 PolarHBondContact O-N 2.97Å
5L89.4Confident90.8Very high23 Ų2379.6 Ų79.612%0.1238%0.383CS..Hα-helixtrans-68.6-42.5177.3178.7156.3000111.4M1 L2 L3 D8 I9 L110 F113 R114M1-L5 PolarHBondContact O-N 2.62Å; L2-L5 WeakPolarHBondContact O-CB 3.34Å; L2-L5 PolarHBondContact O-N 3.05Å; L2-L5 VanDerWaalsContact O-N 3.09Å; L3-L5 VanDerWaalsContact C-N 3.3Å; L3-L5 PolarHBondContact O-N 3.25Å; L5-D8 PolarHBondContact O-N 3.02Å; L5-I9 HydrophobicContact CD2-CD1 3.57Å; L5-I9 HydrophobicContact CD2-CG1 4.46Å; L5-I9 HydrophobicContact CG-CD1 4.43Å; L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.5Å; L5-L110 HydrophobicContact CD1-CB 3.94Å; L5-F113 HydrophobicContact CD2-CD1 4.09Å; L5-F113 HydrophobicContact CD2-CE1 4.17Å; L5-R114 HydrophobicContact CD1-CB 3.92Å; L5-R114 HydrophobicContact CD2-CB 4.17Å; L5-R114 HydrophobicContact CG-CB 4.13Å; L5-R114 HydrophobicContact CG-CG 4.46Å
6I89Confident91.1Very high63 Ų6377.6 Ų77.632%0.32338%0.378SS..Hα-helixtrans-65.7-44.3177.1-65.7172.7000110.2L2 L3 D8 I9 D10 M61L2-I6 HydrophobicContact CD1-CD1 3.9Å; L2-I6 HydrophobicContact CD1-CG1 4.21Å; L2-I6 HydrophobicContact CG-CD1 3.89Å; L2-I6 WeakPolarHBondContact O-CG1 3.47Å; L2-I6 PolarHBondContact O-N 3.31Å; L3-I6 PolarHBondContact O-N 2.69Å; I6-D8 VanDerWaalsContact C-N 3.31Å; I6-D8 PolarHBondContact O-N 3.49Å; I6-I9 PolarHBondContact O-N 3.26Å; I6-D10 WeakPolarHBondContact O-CB 3.26Å; I6-D10 PolarHBondContact O-N 3.38Å; I6-M61 HydrophobicContact CD1-CE 3.7Å; I6-M61 HydrophobicContact CG1-CE 3.8Å
7E93.1Very high91.3Very high99 Ų9973.9 Ų73.946%0.46336%0.36SS..Hα-helixtrans-61.2-38.7175.7-75.8175.4-159.700112.7L3 K11L3-E7 WeakPolarHBondContact O-CB 3.48Å; L3-E7 WeakPolarHBondContact O-CG 3.4Å; L3-E7 PolarHBondContact O-N 2.84Å; E7-K11 WeakPolarHBondContact O-CB 3.34Å; E7-K11 VanDerWaalsContact O-CG 3.3Å; E7-K11 WeakPolarHBondContact O-CG 3.15Å; E7-K11 PolarHBondContact O-N 3.09Å
8D93.9Very high91.5Very high61 Ų6173.5 Ų73.533%0.32636%0.358SS..Hα-helixtrans-61.8-52.7174.9179.665000110.9K4 L5 I6 D10 K11 T12 R114K4-D8 VanDerWaalsContact O-CB 3.31Å; K4-D8 WeakPolarHBondContact O-CB 3.23Å; K4-D8 PolarHBondContact O-N 2.97Å; L5-D8 PolarHBondContact O-N 3.02Å; I6-D8 VanDerWaalsContact C-N 3.31Å; I6-D8 PolarHBondContact O-N 3.49Å; D8-D10 VanDerWaalsContact C-N 3.31Å; D8-D10 PolarHBondContact O-N 2.83Å; D8-K11 PolarHBondContact O-N 3.49Å; D8-T12 WeakPolarHBondContact O-CB 3.46Å; D8-T12 WeakPolarHBondContact O-CG2 3.28Å; D8-T12 PolarHBondContact O-N 2.91Å; D8-T12 PolarHBondContact O-OG1 3.03Å; D8-R114 IonicContact OD2-CZ 3.15Å; D8-R114 IonicContact OD2-NE 2.73Å; D8-R114 PolarHBondContact OD2-NE 3.39Å; D8-R114 VanDerWaalsContact OD2-NE 3.17Å; D8-R114 IonicContact OD2-NH2 2.76Å; D8-R114 PolarHBondContact OD2-NH2 3.23Å
9I92.8Very high91.8Very high6 Ų677.1 Ų77.13%0.03137%0.374CS..Hα-helixtrans-59.2-42.8177.4-66.1171.7000111.1L5 I6 H13 I14 R114 I117L5-I9 HydrophobicContact CD2-CD1 3.57Å; L5-I9 HydrophobicContact CD2-CG1 4.46Å; L5-I9 HydrophobicContact CG-CD1 4.43Å; L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.5Å; I6-I9 PolarHBondContact O-N 3.26Å; I9-H13 WeakPolarHBondContact O-CB 3.34Å; I9-H13 PolarHBondContact O-N 3.46Å; I9-I14 HydrophobicContact CG2-CD1 4.03Å; I9-I14 HydrophobicContact CG2-CG1 4.12Å; I9-I14 PolarHBondContact O-N 3.23Å; I9-I14 VanDerWaalsContact O-N 3.16Å; I9-R114 HydrophobicContact CD1-CB 4.28Å; I9-R114 HydrophobicContact CD1-CG 4.01Å; I9-R114 HydrophobicContact CG1-CG 4.21Å; I9-I117 HydrophobicContact CD1-CD1 4.48Å; I9-I117 HydrophobicContact CD1-CG2 4.29Å; I9-I117 HydrophobicContact CG2-CG2 3.87Å
10D94Very high92Very high39 Ų3979.7 Ų79.721%0.20938%0.383CS..Iπ-helixtrans-57.8-54.4178.2173.563.3000111.2I6 D8 T12 I14 R15I6-D10 WeakPolarHBondContact O-CB 3.26Å; I6-D10 PolarHBondContact O-N 3.38Å; D8-D10 VanDerWaalsContact C-N 3.31Å; D8-D10 PolarHBondContact O-N 2.83Å; D10-T12 PolarHBondContact O-N 3.21Å; D10-I14 PolarHBondContact O-N 3.25Å; D10-R15 WeakPolarHBondContact O-CG 3.43Å; D10-R15 PolarHBondContact O-N 2.95Å; D10-R15 IonicContact OD1-NE 3.9Å; D10-R15 IonicContact OD2-CZ 3.19Å; D10-R15 IonicContact OD2-NE 2.73Å; D10-R15 PolarHBondContact OD2-NE 3.04Å; D10-R15 IonicContact OD2-NH2 2.77Å; D10-R15 PolarHBondContact OD2-NH2 3.33Å
11K96Very high92.2Very high122 Ų12277 Ų7753%0.5337%0.37SS..Iπ-helixtrans-66.4-39.6-177.3-71.6172.5-176.9170.50112.8E7 D8E7-K11 WeakPolarHBondContact O-CB 3.34Å; E7-K11 VanDerWaalsContact O-CG 3.3Å; E7-K11 WeakPolarHBondContact O-CG 3.15Å; E7-K11 PolarHBondContact O-N 3.09Å; D8-K11 PolarHBondContact O-N 3.49Å
12T95.2Very high93.2Very high67 Ų6776.9 Ų76.941%0.41136%0.363SS..Iπ-helixtrans-89-29.9-170.755.10000113.7D8 D10D8-T12 WeakPolarHBondContact O-CB 3.46Å; D8-T12 WeakPolarHBondContact O-CG2 3.28Å; D8-T12 PolarHBondContact O-N 2.91Å; D8-T12 PolarHBondContact O-OG1 3.03Å; D10-T12 PolarHBondContact O-N 3.21Å
13H94.3Very high94Very high35 Ų3576.5 Ų76.516%0.16237%0.366CS..Iπ-helixtrans-125-46.4-172.6-61.3-78000113.3I9 L17 I121 E122I9-H13 WeakPolarHBondContact O-CB 3.34Å; I9-H13 PolarHBondContact O-N 3.46Å; H13-L17 WeakPolarHBondContact O-CB 3.47Å; H13-L17 PolarHBondContact O-N 2.97Å; H13-I121 HydrophobicContact CB-CD1 3.71Å; H13-I121 HydrophobicContact CB-CG2 4.19Å; H13-E122 IonicContact CE1-OE1 3.66Å
14I94.1Very high94.6Very high35 Ų3573.1 Ų73.118%0.17935%0.352CS..Iπ-helixtrans-74.7-48.4-173.1-56177.8000111.7I9 D10 L17 Q18 I57I9-I14 HydrophobicContact CG2-CD1 4.03Å; I9-I14 HydrophobicContact CG2-CG1 4.12Å; I9-I14 PolarHBondContact O-N 3.23Å; I9-I14 VanDerWaalsContact O-N 3.16Å; D10-I14 PolarHBondContact O-N 3.25Å; I14-L17 WeakPolarHBondContact O-CB 3.38Å; I14-L17 PolarHBondContact O-N 3.17Å; I14-Q18 HydrophobicContact CG2-CG 4.23Å; I14-Q18 WeakPolarHBondContact O-CG 3.45Å; I14-Q18 PolarHBondContact O-N 3.33Å; I14-I57 HydrophobicContact CD1-CD1 3.94Å; I14-I57 HydrophobicContact CG1-CD1 4.26Å
15R95.4Very high94.9Very high134 Ų13466.1 Ų66.151%0.50632%0.324SS..Hα-helixtrans-61.6-43.3179.5-69.1-175.9-158.4-150.41.1113.1D10 L17 Q18 Q19D10-R15 WeakPolarHBondContact O-CG 3.43Å; D10-R15 PolarHBondContact O-N 2.95Å; D10-R15 IonicContact OD1-NE 3.9Å; D10-R15 IonicContact OD2-CZ 3.19Å; D10-R15 IonicContact OD2-NE 2.73Å; D10-R15 PolarHBondContact OD2-NE 3.04Å; D10-R15 IonicContact OD2-NH2 2.77Å; D10-R15 PolarHBondContact OD2-NH2 3.33Å; R15-L17 VanDerWaalsContact C-N 3.32Å; R15-L17 PolarHBondContact O-N 2.98Å; R15-Q18 PolarHBondContact O-N 3.07Å; R15-Q19 WeakPolarHBondContact O-CB 3.45Å; R15-Q19 PolarHBondContact O-N 3Å
16P95.3Very high95.3Very high48 Ų4868.3 Ų68.331%0.31234%0.342SS..Hα-helixtrans-59.4-40.1173.4-28.137.2000113.4Q19 K20P16-Q19 PolarHBondContact O-N 3.02Å; P16-K20 WeakPolarHBondContact O-CG 3.23Å; P16-K20 PolarHBondContact O-N 2.89Å
17L94.1Very high95.6Very high14 Ų1472.4 Ų72.47%0.07336%0.357CS..Hα-helixtrans-62.5-47.4175.1179.373000111.4H13 I14 R15 Q19 K20 M21 T50 I53H13-L17 WeakPolarHBondContact O-CB 3.47Å; H13-L17 PolarHBondContact O-N 2.97Å; I14-L17 WeakPolarHBondContact O-CB 3.38Å; I14-L17 PolarHBondContact O-N 3.17Å; R15-L17 VanDerWaalsContact C-N 3.32Å; R15-L17 PolarHBondContact O-N 2.98Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-Q19 PolarHBondContact O-N 3.36Å; L17-K20 PolarHBondContact O-N 3.2Å; L17-M21 PolarHBondContact O-N 2.98Å; L17-T50 HydrophobicContact CD2-CG2 4.01Å; L17-T50 HydrophobicContact CG-CG2 4.25Å; L17-I53 HydrophobicContact CD1-CD1 3.94Å; L17-I53 HydrophobicContact CD2-CB 4.06Å; L17-I53 HydrophobicContact CD2-CD1 3.42Å; L17-I53 VanDerWaalsContact CD2-CD1 3.42Å; L17-I53 HydrophobicContact CD2-CG1 4.34Å; L17-I53 HydrophobicContact CD2-CG2 3.87Å; L17-I53 HydrophobicContact CG-CD1 4.33Å
18Q95.4Very high95.8Very high67 Ų6768 Ų6831%0.31334%0.337SS..Hα-helixtrans-60.3-42175.2-72.5174.7-13.400111.8I14 R15 K20 M21 Y22 T50I14-Q18 HydrophobicContact CG2-CG 4.23Å; I14-Q18 WeakPolarHBondContact O-CG 3.45Å; I14-Q18 PolarHBondContact O-N 3.33Å; R15-Q18 PolarHBondContact O-N 3.07Å; Q18-K20 PolarHBondContact O-N 2.87Å; Q18-M21 WeakPolarHBondContact O-CB 3.32Å; Q18-M21 PolarHBondContact O-N 3.31Å; Q18-Y22 HydrophobicContact CB-CD2 4.21Å; Q18-Y22 HydrophobicContact CB-CE2 3.98Å; Q18-Y22 WeakPolarHBondContact O-CB 3.41Å; Q18-Y22 WeakPolarHBondContact O-CD2 2.98Å; Q18-Y22 PolarHBondContact O-N 3.07Å; Q18-T50 HydrophobicContact CG-CG2 4.5Å
19Q97.1Very high95.8Very high142 Ų14269 Ų6966%0.66435%0.348SS*.Hα-helixtrans-59.4-46.7177-175.3-174.211.400111.5R15 P16 L17 Y22 S23R15-Q19 WeakPolarHBondContact O-CB 3.45Å; R15-Q19 PolarHBondContact O-N 3Å; P16-Q19 PolarHBondContact O-N 3.02Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-Q19 PolarHBondContact O-N 3.36Å; Q19-Y22 PolarHBondContact O-N 2.03Å; Q19-S23 VanDerWaalsContact O-CB 3.3Å; Q19-S23 WeakPolarHBondContact O-CB 3Å; Q19-S23 PolarHBondContact O-N 3.21Å
20K95.7Very high95.9Very high128 Ų12872.8 Ų72.856%0.55738%0.375SS*.Hα-helixtrans-60.5-46.5175.9-70178.3-174.2178.30111.2P16 L17 Q18 S23 C24 N125P16-K20 WeakPolarHBondContact O-CG 3.23Å; P16-K20 PolarHBondContact O-N 2.89Å; L17-K20 PolarHBondContact O-N 3.2Å; Q18-K20 PolarHBondContact O-N 2.87Å; K20-S23 PolarHBondContact O-N 3.01Å; K20-C24 WeakPolarHBondContact O-CB 3.37Å; K20-C24 PolarHBondContact O-N 3.43Å; K20-N125 PolarHBondContact NZ-OD1 3.25Å
21M97.1Very high95.8Very high25 Ų2574.7 Ų74.712%0.12339%0.385CS..Hα-helixtrans-57.4-52.1177174.4-172.679.700111.8L17 Q18 S23 C24 A25 C46 T50L17-M21 PolarHBondContact O-N 2.98Å; Q18-M21 WeakPolarHBondContact O-CB 3.32Å; Q18-M21 PolarHBondContact O-N 3.31Å; M21-S23 PolarHBondContact O-N 2.91Å; M21-C24 WeakPolarHBondContact O-CB 3.42Å; M21-C24 PolarHBondContact O-N 3.38Å; M21-A25 PolarHBondContact O-N 3.09Å; M21-C46 WeakPolarHBondContact CG-O 3.39Å; M21-T50 HydrophobicContact CE-CG2 4.43Å; M21-T50 VanDerWaalsContact SD-CB 3.53Å; M21-T50 HydrophobicContact SD-CG2 3.71Å; M21-T50 PolarHBondContact SD-OG1 3.3Å
22Y97.9Very high95.6Very high148 Ų14875.6 Ų75.658%0.5840%0.401SS*.Hα-helixtrans-66.7-36.2-179.3-69.7-54.3000112.5Q18 Q19 A25 S26Q18-Y22 HydrophobicContact CB-CD2 4.21Å; Q18-Y22 HydrophobicContact CB-CE2 3.98Å; Q18-Y22 WeakPolarHBondContact O-CB 3.41Å; Q18-Y22 WeakPolarHBondContact O-CD2 2.98Å; Q18-Y22 PolarHBondContact O-N 3.07Å; Q19-Y22 PolarHBondContact O-N 2.03Å; Y22-A25 PolarHBondContact O-N 3.41Å; Y22-S26 VanDerWaalsContact O-CB 3.29Å; Y22-S26 WeakPolarHBondContact O-CB 3.43Å; Y22-S26 PolarHBondContact O-N 2.89Å
23S97.7Very high95.4Very high61 Ų6177.5 Ų77.543%0.42742%0.417SS..Hα-helixtrans-63.6-42.3173.7-175.60000111.7Q19 K20 M21 S26 K27Q19-S23 VanDerWaalsContact O-CB 3.3Å; Q19-S23 WeakPolarHBondContact O-CB 3Å; Q19-S23 PolarHBondContact O-N 3.21Å; K20-S23 PolarHBondContact O-N 3.01Å; M21-S23 PolarHBondContact O-N 2.91Å; S23-S26 PolarHBondContact O-N 3.07Å; S23-K27 WeakPolarHBondContact O-CG 3.4Å; S23-K27 PolarHBondContact O-N 3.01Å; S23-K27 VanDerWaalsContact O-N 3.16Å
24C97.7Very high95Very high54 Ų5477.1 Ų77.137%0.36542%0.423SS..Hα-helixtrans-60.3-50.5173.7179.30000111.2K20 M21 S26 K27 C28 C46K20-C24 WeakPolarHBondContact O-CB 3.37Å; K20-C24 PolarHBondContact O-N 3.43Å; M21-C24 WeakPolarHBondContact O-CB 3.42Å; M21-C24 PolarHBondContact O-N 3.38Å; C24-S26 VanDerWaalsContact C-N 3.31Å; C24-S26 PolarHBondContact O-N 3.34Å; C24-K27 WeakPolarHBondContact O-CB 3.33Å; C24-K27 PolarHBondContact O-N 2.95Å; C24-K27 VanDerWaalsContact O-N 3.15Å; C24-C28 PolarHBondContact O-N 3.13Å; C24-C28 VanDerWaalsContact O-N 3.09Å; C24-C28 PolarHBondContact O-SG 3.44Å; C24-C28 VanDerWaalsContact O-SG 3.33Å; C24-C46 HydrophobicContact CB-CB 3.62Å; C24-C46 WeakPolarHBondContact CB-SG 3.34Å; C24-C46 WeakPolarHBondContact SG-CB 3.48Å; C24-C46 CovalentContact SG-SG 2.04Å; C24-C46 PolarHBondContact SG-SG 2.89Å
25A97.3Very high94.9Very high17 Ų1780.5 Ų80.514%0.1444%0.441CS..Hα-helixtrans-61.4-39.317900000112.2M21 Y22 K27 C28 C29 I43 C46M21-A25 PolarHBondContact O-N 3.09Å; Y22-A25 PolarHBondContact O-N 3.41Å; A25-K27 VanDerWaalsContact C-N 3.33Å; A25-K27 PolarHBondContact O-N 3.47Å; A25-C28 VanDerWaalsContact O-CB 3.32Å; A25-C28 WeakPolarHBondContact O-CB 3.44Å; A25-C28 PolarHBondContact O-N 2.91Å; A25-C28 VanDerWaalsContact O-N 3.15Å; A25-C29 PolarHBondContact O-N 3.49Å; A25-C29 PolarHBondContact O-SG 3.43Å; A25-I43 HydrophobicContact CB-CG1 4.4Å; A25-I43 HydrophobicContact CB-CG2 4.36Å; A25-C46 HydrophobicContact CB-CB 4.46Å; A25-C46 PolarHBondContact N-SG 2.9Å; A25-C46 VanDerWaalsContact N-SG 3.43Å
26S97.2Very high94.8Very high69 Ų6981.5 Ų81.548%0.48345%0.454SS..Hα-helixtrans-59.9-40.6175.4179.70000112.5Y22 S23 C24 C29 S30Y22-S26 VanDerWaalsContact O-CB 3.29Å; Y22-S26 WeakPolarHBondContact O-CB 3.43Å; Y22-S26 PolarHBondContact O-N 2.89Å; S23-S26 PolarHBondContact O-N 3.07Å; C24-S26 VanDerWaalsContact C-N 3.31Å; C24-S26 PolarHBondContact O-N 3.34Å; S26-C29 PolarHBondContact O-N 2.94Å; S26-S30 WeakPolarHBondContact O-CB 3.33Å; S26-S30 PolarHBondContact O-N 3.48Å; S26-S30 PolarHBondContact O-OG 3.39Å
27K97Very high94.7Very high150 Ų15085.6 Ų85.665%0.65247%0.469SS*.Hα-helixtrans-64.3-41.9173.8-68.6176.9-175.8-178.30111.7S23 C24 A25 C29 S30 D31S23-K27 WeakPolarHBondContact O-CG 3.4Å; S23-K27 PolarHBondContact O-N 3.01Å; S23-K27 VanDerWaalsContact O-N 3.16Å; C24-K27 WeakPolarHBondContact O-CB 3.33Å; C24-K27 PolarHBondContact O-N 2.95Å; C24-K27 VanDerWaalsContact O-N 3.15Å; A25-K27 VanDerWaalsContact C-N 3.33Å; A25-K27 PolarHBondContact O-N 3.47Å; K27-C29 VanDerWaalsContact C-N 3.29Å; K27-C29 PolarHBondContact O-N 3.2Å; K27-S30 PolarHBondContact O-N 3.22Å; K27-D31 PolarHBondContact O-N 3.38Å
28C96.8Very high94.8Very high5 Ų587.4 Ų87.43%0.03448%0.483CS..Hα-helixtrans-58.2-42.2174.2-57.20000111.8C24 A25 S30 D31 C42 I43 C46C24-C28 PolarHBondContact O-N 3.13Å; C24-C28 VanDerWaalsContact O-N 3.09Å; C24-C28 PolarHBondContact O-SG 3.44Å; C24-C28 VanDerWaalsContact O-SG 3.33Å; A25-C28 VanDerWaalsContact O-CB 3.32Å; A25-C28 WeakPolarHBondContact O-CB 3.44Å; A25-C28 PolarHBondContact O-N 2.91Å; A25-C28 VanDerWaalsContact O-N 3.15Å; C28-S30 VanDerWaalsContact C-N 3.33Å; C28-D31 PolarHBondContact O-N 3.48Å; C28-C42 HydrophobicContact CB-CB 3.63Å; C28-C42 WeakPolarHBondContact CB-SG 3.41Å; C28-C42 WeakPolarHBondContact SG-CB 3.45Å; C28-C42 CovalentContact SG-SG 2.03Å; C28-C42 PolarHBondContact SG-SG 3.41Å; C28-I43 HydrophobicContact CB-CG1 3.9Å; C28-C46 PolarHBondContact SG-SG 3.13Å
29C94.3Very high94.8Very high84 Ų8485.5 Ų85.557%0.56848%0.475SS*.Hα-helixtrans-72.6-25.1180-64.80000113.6A25 S26 K27A25-C29 PolarHBondContact O-N 3.49Å; A25-C29 PolarHBondContact O-SG 3.43Å; S26-C29 PolarHBondContact O-N 2.94Å; K27-C29 VanDerWaalsContact C-N 3.29Å; K27-C29 PolarHBondContact O-N 3.2Å
30S94.7Very high94.7Very high84 Ų8483.4 Ų83.459%0.58747%0.466SS*.Hα-helixtrans-83.1-15.3179.4-56.80000112.6S26 K27 C28 T32S26-S30 WeakPolarHBondContact O-CB 3.33Å; S26-S30 PolarHBondContact O-N 3.48Å; S26-S30 PolarHBondContact O-OG 3.39Å; K27-S30 PolarHBondContact O-N 3.22Å; C28-S30 VanDerWaalsContact C-N 3.33Å; S30-T32 PolarHBondContact O-N 3.11Å
31D91.8Very high94.8Very high79 Ų7979.7 Ų79.742%0.42245%0.454SS..  trans-75.9104.4175.5-177.88.9000110.6K27 C28 S33K27-D31 PolarHBondContact O-N 3.38Å; C28-D31 PolarHBondContact O-N 3.48Å; D31-S33 VanDerWaalsContact C-N 3.33Å; D31-S33 VanDerWaalsContact OD1-CB 3.3Å; D31-S33 WeakPolarHBondContact OD1-CB 3.39Å; D31-S33 PolarHBondContact OD1-N 3.12Å; D31-S33 PolarHBondContact OD1-OG 3.25Å; D31-S33 PolarHBondContact OD2-OG 3.19Å
32T91.1Very high94.8Very high142 Ų14280.8 Ų80.887%0.87146%0.463SS*.  trans-86.2-3177.956.80000113.5S30S30-T32 PolarHBondContact O-N 3.11Å
33S91.5Very high94.7Very high106 Ų10675.8 Ų75.874%0.74145%0.446SS*.SBendtrans-82.6-26.2179.874.60000112.8D31D31-S33 VanDerWaalsContact C-N 3.33Å; D31-S33 VanDerWaalsContact OD1-CB 3.3Å; D31-S33 WeakPolarHBondContact OD1-CB 3.39Å; D31-S33 PolarHBondContact OD1-N 3.12Å; D31-S33 PolarHBondContact OD1-OG 3.25Å; D31-S33 PolarHBondContact OD2-OG 3.19Å
34G85.7Confident94.7Very high28 Ų2876.2 Ų76.229%0.28945%0.449SS..SBendtrans-78.5156.1-179.600000113.6S38G34-S38 WeakPolarHBondContact CA-OG 3Å
35N92.4Very high94.6Very high105 Ų10582.3 Ų82.356%0.56147%0.465SS*.  trans-80.2169.8166.167.146000110.8Q37 S38 V39N35-Q37 VanDerWaalsContact C-N 3.27Å; N35-Q37 PolarHBondContact O-N 3.15Å; N35-Q37 WeakPolarHBondContact OD1-CA 3.27Å; N35-Q37 WeakPolarHBondContact OD1-CB 3.46Å; N35-Q37 PolarHBondContact OD1-N 2.83Å; N35-S38 PolarHBondContact N-OG 3.2Å; N35-S38 PolarHBondContact O-N 3.44Å; N35-S38 PolarHBondContact O-OG 2.01Å; N35-S38 PolarHBondContact OD1-N 3Å; N35-S38 PolarHBondContact OD1-OG 3.01Å; N35-V39 PolarHBondContact O-N 3.18Å; N35-V39 VanDerWaalsContact O-N 3.15Å
36M92.7Very high94.6Very high155 Ų15582.2 Ų82.276%0.76446%0.463SS*.Hα-helixtrans-54.3-41.9-179.9-179.6-179.9164.100112.8V39 Q40M36-V39 PolarHBondContact O-N 3.15Å; M36-Q40 WeakPolarHBondContact O-CG 3.27Å; M36-Q40 PolarHBondContact O-N 3.44Å
37Q94.6Very high94.6Very high134 Ų13479.9 Ų79.963%0.62645%0.446SS*.Hα-helixtrans-68.5-37.7-177.8-171.462.936.300112.3N35 Q40 T41N35-Q37 VanDerWaalsContact C-N 3.27Å; N35-Q37 PolarHBondContact O-N 3.15Å; N35-Q37 WeakPolarHBondContact OD1-CA 3.27Å; N35-Q37 WeakPolarHBondContact OD1-CB 3.46Å; N35-Q37 PolarHBondContact OD1-N 2.83Å; Q37-Q40 PolarHBondContact O-N 3.05Å; Q37-T41 WeakPolarHBondContact O-CB 2.92Å; Q37-T41 PolarHBondContact O-N 3.46Å; Q37-T41 PolarHBondContact O-OG1 3.29Å
38S94.8Very high94.5Very high53 Ų5374.8 Ų74.837%0.37143%0.43SS..Hα-helixtrans-66.9-39.917758.40000111.4G34 N35 T41 C42G34-S38 WeakPolarHBondContact CA-OG 3Å; N35-S38 PolarHBondContact N-OG 3.2Å; N35-S38 PolarHBondContact O-N 3.44Å; N35-S38 PolarHBondContact O-OG 2.01Å; N35-S38 PolarHBondContact OD1-N 3Å; N35-S38 PolarHBondContact OD1-OG 3.01Å; S38-T41 PolarHBondContact O-N 3.04Å; S38-C42 WeakPolarHBondContact O-CB 3.37Å; S38-C42 PolarHBondContact O-N 2.71Å
39V95.7Very high94.3Very high26 Ų2677.3 Ų77.316%0.15844%0.441CS..Hα-helixtrans-62.9-46.8175.4174.80000110.9N35 M36 T41 C42 I43N35-V39 PolarHBondContact O-N 3.18Å; N35-V39 VanDerWaalsContact O-N 3.15Å; M36-V39 PolarHBondContact O-N 3.15Å; V39-T41 VanDerWaalsContact C-N 3.33Å; V39-T41 PolarHBondContact O-N 2.98Å; V39-C42 WeakPolarHBondContact O-CB 3.38Å; V39-C42 PolarHBondContact O-N 3.12Å; V39-C42 VanDerWaalsContact O-N 3.15Å; V39-I43 HydrophobicContact CG1-CD1 3.94Å; V39-I43 WeakPolarHBondContact O-CG1 3.34Å; V39-I43 PolarHBondContact O-N 3.44Å
40Q95.7Very high94.4Very high98 Ų9874.3 Ų74.346%0.45842%0.42SS..Hα-helixtrans-62.1-40.2177.5-68.1-57.8-37.200112.6M36 Q37 C42 I43 S44M36-Q40 WeakPolarHBondContact O-CG 3.27Å; M36-Q40 PolarHBondContact O-N 3.44Å; Q37-Q40 PolarHBondContact O-N 3.05Å; Q40-C42 VanDerWaalsContact C-N 3.32Å; Q40-C42 PolarHBondContact O-N 3.43Å; Q40-I43 PolarHBondContact O-N 3.26Å; Q40-S44 WeakPolarHBondContact O-CB 3.41Å; Q40-S44 PolarHBondContact O-N 2.88Å
41T96.7Very high94.4Very high50 Ų5076 Ų7631%0.30742%0.418SS..Hα-helixtrans-63.3-39.7175.2-560000111.4Q37 S38 V39 R45Q37-T41 WeakPolarHBondContact O-CB 2.92Å; Q37-T41 PolarHBondContact O-N 3.46Å; Q37-T41 PolarHBondContact O-OG1 3.29Å; S38-T41 PolarHBondContact O-N 3.04Å; V39-T41 VanDerWaalsContact C-N 3.33Å; V39-T41 PolarHBondContact O-N 2.98Å; T41-R45 WeakPolarHBondContact O-CG 3.35Å; T41-R45 PolarHBondContact O-N 3.37Å
42C96.9Very high94.6Very high48 Ų4877.8 Ų77.832%0.32442%0.423SS..Hα-helixtrans-62.2-48.2175.4-174.60000111.3C28 S38 V39 Q40 S44 R45 C46C28-C42 HydrophobicContact CB-CB 3.63Å; C28-C42 WeakPolarHBondContact CB-SG 3.41Å; C28-C42 WeakPolarHBondContact SG-CB 3.45Å; C28-C42 CovalentContact SG-SG 2.03Å; C28-C42 PolarHBondContact SG-SG 3.41Å; S38-C42 WeakPolarHBondContact O-CB 3.37Å; S38-C42 PolarHBondContact O-N 2.71Å; V39-C42 WeakPolarHBondContact O-CB 3.38Å; V39-C42 PolarHBondContact O-N 3.12Å; V39-C42 VanDerWaalsContact O-N 3.15Å; Q40-C42 VanDerWaalsContact C-N 3.32Å; Q40-C42 PolarHBondContact O-N 3.43Å; C42-S44 PolarHBondContact O-N 2.6Å; C42-R45 WeakPolarHBondContact O-CB 3.39Å; C42-R45 PolarHBondContact O-N 3.42Å; C42-C46 PolarHBondContact O-N 3.49Å; C42-C46 PolarHBondContact O-SG 3.21Å
43I97Very high94.8Very high43 Ų4371.2 Ų71.222%0.22138%0.382CS..Hα-helixtrans-60.5-45.8178.1-65.4166.9000111.1A25 C28 V39 Q40 R45 C46 S47A25-I43 HydrophobicContact CB-CG1 4.4Å; A25-I43 HydrophobicContact CB-CG2 4.36Å; C28-I43 HydrophobicContact CB-CG1 3.9Å; V39-I43 HydrophobicContact CG1-CD1 3.94Å; V39-I43 WeakPolarHBondContact O-CG1 3.34Å; V39-I43 PolarHBondContact O-N 3.44Å; Q40-I43 PolarHBondContact O-N 3.26Å; I43-R45 VanDerWaalsContact C-N 3.29Å; I43-R45 PolarHBondContact O-N 3.32Å; I43-C46 WeakPolarHBondContact O-CB 3.5Å; I43-C46 PolarHBondContact O-N 3.38Å; I43-S47 PolarHBondContact O-N 3.2Å
44S96.8Very high94.9Very high70 Ų7067.9 Ų67.949%0.4936%0.364SS..Hα-helixtrans-60.6-37.4177.4175.40000112.3Q40 C42 S47 S48Q40-S44 WeakPolarHBondContact O-CB 3.41Å; Q40-S44 PolarHBondContact O-N 2.88Å; C42-S44 PolarHBondContact O-N 2.6Å; S44-S47 PolarHBondContact O-N 2.95Å; S44-S47 PolarHBondContact O-OG 3.39Å; S44-S48 WeakPolarHBondContact O-CB 3.37Å; S44-S48 PolarHBondContact O-N 3.09Å
45R96.6Very high95.4Very high183 Ų18369.3 Ų69.369%0.69137%0.374SS*.Hα-helixtrans-64.1-43.1172.8-71.8172.9-174.2176.22.6111.5T41 C42 I43 S47 S48T41-R45 WeakPolarHBondContact O-CG 3.35Å; T41-R45 PolarHBondContact O-N 3.37Å; C42-R45 WeakPolarHBondContact O-CB 3.39Å; C42-R45 PolarHBondContact O-N 3.42Å; I43-R45 VanDerWaalsContact C-N 3.29Å; I43-R45 PolarHBondContact O-N 3.32Å; R45-S47 VanDerWaalsContact C-N 3.29Å; R45-S47 PolarHBondContact O-N 3.14Å; R45-S48 PolarHBondContact O-N 2.72Å; R45-S48 PolarHBondContact O-OG 3.48Å
46C97.1Very high95.5Very high15 Ų1567 Ų6710%0.10136%0.357CS..Hα-helixtrans-60.1-37.3177.7-61.80000112.7M21 C24 A25 C28 C42 I43M21-C46 WeakPolarHBondContact CG-O 3.39Å; C24-C46 HydrophobicContact CB-CB 3.62Å; C24-C46 WeakPolarHBondContact CB-SG 3.34Å; C24-C46 WeakPolarHBondContact SG-CB 3.48Å; C24-C46 CovalentContact SG-SG 2.04Å; C24-C46 PolarHBondContact SG-SG 2.89Å; A25-C46 HydrophobicContact CB-CB 4.46Å; A25-C46 PolarHBondContact N-SG 2.9Å; A25-C46 VanDerWaalsContact N-SG 3.43Å; C28-C46 PolarHBondContact SG-SG 3.13Å; C42-C46 PolarHBondContact O-N 3.49Å; C42-C46 PolarHBondContact O-SG 3.21Å; I43-C46 WeakPolarHBondContact O-CB 3.5Å; I43-C46 PolarHBondContact O-N 3.38Å
47S96Very high95.6Very high19 Ų1960.8 Ų60.813%0.13333%0.327CS..Hα-helixtrans-86-23.6-178.968.30000114.3I43 S44 R45 Q49 T50 E51I43-S47 PolarHBondContact O-N 3.2Å; S44-S47 PolarHBondContact O-N 2.95Å; S44-S47 PolarHBondContact O-OG 3.39Å; R45-S47 VanDerWaalsContact C-N 3.29Å; R45-S47 PolarHBondContact O-N 3.14Å; S47-Q49 VanDerWaalsContact C-N 3.29Å; S47-Q49 PolarHBondContact O-N 3.25Å; S47-Q49 VanDerWaalsContact O-N 3.1Å; S47-T50 WeakPolarHBondContact O-CB 3.42Å; S47-T50 PolarHBondContact O-N 2.86Å; S47-E51 WeakPolarHBondContact CB-OE1 3.45Å; S47-E51 WeakPolarHBondContact O-CG 3.48Å; S47-E51 PolarHBondContact O-N 3.14Å; S47-E51 PolarHBondContact OG-OE1 2.73Å
48S95.7Very high95.5Very high44 Ų4460 Ų6031%0.30832%0.324SS..Hα-helixtrans-50.3-41.7-171.866.20000114.9S44 R45 K52S44-S48 WeakPolarHBondContact O-CB 3.37Å; S44-S48 PolarHBondContact O-N 3.09Å; R45-S48 PolarHBondContact O-N 2.72Å; R45-S48 PolarHBondContact O-OG 3.48Å; S48-K52 WeakPolarHBondContact O-CG 3.46Å; S48-K52 PolarHBondContact O-N 3.02Å
49Q93.4Very high95.6Very high58 Ų5859.3 Ų59.327%0.27132%0.321SS..Hα-helixtrans-73.8-41.4179.8-169.756.239.200112S47 E51 K52 I53 S124S47-Q49 VanDerWaalsContact C-N 3.29Å; S47-Q49 PolarHBondContact O-N 3.25Å; S47-Q49 VanDerWaalsContact O-N 3.1Å; Q49-E51 VanDerWaalsContact C-N 3.31Å; Q49-E51 PolarHBondContact O-N 2.98Å; Q49-K52 PolarHBondContact O-N 3.29Å; Q49-I53 HydrophobicContact CG-CD1 4.19Å; Q49-I53 WeakPolarHBondContact O-CG1 3.26Å; Q49-I53 PolarHBondContact O-N 3.43Å; Q49-S124 WeakPolarHBondContact CG-O 3.3Å; Q49-S124 PolarHBondContact NE2-OG 3.29Å; Q49-S124 VanDerWaalsContact NE2-OG 3.13Å
50T94.9Very high95.5Very high21 Ų2158.2 Ų58.213%0.12931%0.314CS..Hα-helixtrans-62.8-39.9176.9-530000111.5L17 Q18 M21 S47 I53 G54L17-T50 HydrophobicContact CD2-CG2 4.01Å; L17-T50 HydrophobicContact CG-CG2 4.25Å; Q18-T50 HydrophobicContact CG-CG2 4.5Å; M21-T50 HydrophobicContact CE-CG2 4.43Å; M21-T50 VanDerWaalsContact SD-CB 3.53Å; M21-T50 HydrophobicContact SD-CG2 3.71Å; M21-T50 PolarHBondContact SD-OG1 3.3Å; S47-T50 WeakPolarHBondContact O-CB 3.42Å; S47-T50 PolarHBondContact O-N 2.86Å; T50-I53 PolarHBondContact O-N 3.22Å; T50-G54 PolarHBondContact O-N 2.95Å
51E95.5Very high95.3Very high118 Ų11855.6 Ų55.655%0.55130%0.302SS*.Hα-helixtrans-63.4-44.8176-72.3169.2-161.400111.7S47 Q49 I53 G54 A55S47-E51 WeakPolarHBondContact CB-OE1 3.45Å; S47-E51 WeakPolarHBondContact O-CG 3.48Å; S47-E51 PolarHBondContact O-N 3.14Å; S47-E51 PolarHBondContact OG-OE1 2.73Å; Q49-E51 VanDerWaalsContact C-N 3.31Å; Q49-E51 PolarHBondContact O-N 2.98Å; E51-I53 VanDerWaalsContact C-N 3.33Å; E51-I53 PolarHBondContact O-N 2.97Å; E51-G54 PolarHBondContact O-N 3.21Å; E51-A55 WeakPolarHBondContact O-CB 3.28Å; E51-A55 PolarHBondContact O-N 3.2Å
52K95.4Very high95.2Very high118 Ų11857.1 Ų57.151%0.51331%0.306SS..Hα-helixtrans-60.6-41.9174.9-72.1173.6-173.2176.50112.4S48 Q49 Y56S48-K52 WeakPolarHBondContact O-CG 3.46Å; S48-K52 PolarHBondContact O-N 3.02Å; Q49-K52 PolarHBondContact O-N 3.29Å; K52-Y56 PolarHBondContact O-N 3.42Å
53I94.9Very high95.1Very high3 Ų360.3 Ų60.32%0.01531%0.314CS..Hα-helixtrans-64.9-44.6175.7-72.8167.6000110.7L17 Q49 T50 E51 A55 Y56 I57 Y120 I121L17-I53 HydrophobicContact CD1-CD1 3.94Å; L17-I53 HydrophobicContact CD2-CB 4.06Å; L17-I53 HydrophobicContact CD2-CD1 3.42Å; L17-I53 VanDerWaalsContact CD2-CD1 3.42Å; L17-I53 HydrophobicContact CD2-CG1 4.34Å; L17-I53 HydrophobicContact CD2-CG2 3.87Å; L17-I53 HydrophobicContact CG-CD1 4.33Å; Q49-I53 HydrophobicContact CG-CD1 4.19Å; Q49-I53 WeakPolarHBondContact O-CG1 3.26Å; Q49-I53 PolarHBondContact O-N 3.43Å; T50-I53 PolarHBondContact O-N 3.22Å; E51-I53 VanDerWaalsContact C-N 3.33Å; E51-I53 PolarHBondContact O-N 2.97Å; I53-A55 PolarHBondContact O-N 3.39Å; I53-Y56 PolarHBondContact O-N 3.05Å; I53-I57 HydrophobicContact CG2-CD1 3.76Å; I53-I57 HydrophobicContact CG2-CG1 4.41Å; I53-I57 WeakPolarHBondContact O-CG1 3.37Å; I53-I57 PolarHBondContact O-N 3.32Å; I53-Y120 HydrophobicContact CG1-CD1 4.15Å; I53-Y120 HydrophobicContact CG1-CE1 3.93Å; I53-I121 HydrophobicContact CD1-CG2 4.48Å; I53-I121 HydrophobicContact CG2-CD1 4.32Å; I53-I121 HydrophobicContact CG2-CG1 3.71Å
54G93.9Very high94.8Very high36 Ų3659.3 Ų59.337%0.37131%0.309SS..Hα-helixtrans-58-47.417600000112.2T50 E51 Y56 I57 Q58T50-G54 PolarHBondContact O-N 2.95Å; E51-G54 PolarHBondContact O-N 3.21Å; G54-Y56 VanDerWaalsContact C-N 3.33Å; G54-Y56 PolarHBondContact O-N 3.46Å; G54-I57 PolarHBondContact O-N 3.33Å; G54-Q58 WeakPolarHBondContact O-CB 3.44Å; G54-Q58 PolarHBondContact O-N 2.94Å
55A96.2Very high94.6Very high59 Ų5961.4 Ų61.449%0.48831%0.311SS..Hα-helixtrans-61.1-40.2176.900000112.4E51 I53 Q58 A59E51-A55 WeakPolarHBondContact O-CB 3.28Å; E51-A55 PolarHBondContact O-N 3.2Å; I53-A55 PolarHBondContact O-N 3.39Å; A55-Q58 PolarHBondContact O-N 3.24Å; A55-A59 WeakPolarHBondContact O-CB 3.44Å; A55-A59 PolarHBondContact O-N 3.42Å
56Y95.9Very high94.5Very high55 Ų5556 Ų5622%0.21630%0.296CS..Hα-helixtrans-64.4-47.6175.8179.7-91.9000112.3K52 I53 G54 Q58 A59 E60 I117 Y120K52-Y56 PolarHBondContact O-N 3.42Å; I53-Y56 PolarHBondContact O-N 3.05Å; G54-Y56 VanDerWaalsContact C-N 3.33Å; G54-Y56 PolarHBondContact O-N 3.46Å; Y56-Q58 VanDerWaalsContact C-N 3.28Å; Y56-Q58 PolarHBondContact O-N 2.95Å; Y56-A59 PolarHBondContact O-N 3.25Å; Y56-E60 HydrophobicContact CD1-CG 4.17Å; Y56-E60 HydrophobicContact CE1-CG 3.65Å; Y56-E60 HydrophobicContact CE2-CG 4.45Å; Y56-E60 PolarHBondContact O-N 3.08Å; Y56-I117 HydrophobicContact CE1-CG1 4.42Å; Y56-Y120 VanDerWaalsContact CB-CE1 3.43Å; Y56-Y120 AromaticContact CD1-CD1 3.54Å; Y56-Y120 HydrophobicContact CD1-CD1 3.54Å; Y56-Y120 HydrophobicContact CD1-CD2 4.04Å; Y56-Y120 HydrophobicContact CD1-CE1 4.17Å; Y56-Y120 AromaticContact CD1-CG 3.46Å; Y56-Y120 HydrophobicContact CD1-CG 3.46Å; Y56-Y120 VanDerWaalsContact CD1-CG 3.46Å; Y56-Y120 HydrophobicContact CD2-CD1 4.17Å; Y56-Y120 AromaticContact CD2-CD2 3.54Å; Y56-Y120 HydrophobicContact CD2-CD2 3.54Å; Y56-Y120 HydrophobicContact CD2-CE1 4.19Å; Y56-Y120 AromaticContact CD2-CE2 3.55Å; Y56-Y120 HydrophobicContact CD2-CE2 3.55Å; Y56-Y120 AromaticContact CD2-CG 3.85Å; Y56-Y120 HydrophobicContact CD2-CG 3.85Å; Y56-Y120 AromaticContact CD2-CZ 3.87Å; Y56-Y120 VanDerWaalsContact CE1-CB 3.41Å; Y56-Y120 HydrophobicContact CE1-CD1 4.2Å; Y56-Y120 HydrophobicContact CE1-CD2 4.09Å; Y56-Y120 AromaticContact CE1-CG 3.64Å; Y56-Y120 HydrophobicContact CE1-CG 3.64Å; Y56-Y120 AromaticContact CE2-CD2 3.58Å; Y56-Y120 HydrophobicContact CE2-CD2 3.58Å; Y56-Y120 AromaticContact CE2-CE2 3.97Å; Y56-Y120 HydrophobicContact CE2-CE2 3.97Å; Y56-Y120 HydrophobicContact CE2-CG 4.01Å; Y56-Y120 AromaticContact CG-CD1 3.53Å; Y56-Y120 HydrophobicContact CG-CD1 3.53Å; Y56-Y120 AromaticContact CG-CD2 3.77Å; Y56-Y120 HydrophobicContact CG-CD2 3.77Å; Y56-Y120 AromaticContact CG-CE1 3.67Å; Y56-Y120 HydrophobicContact CG-CE1 3.67Å; Y56-Y120 AromaticContact CG-CE2 3.9Å; Y56-Y120 HydrophobicContact CG-CE2 3.9Å; Y56-Y120 AromaticContact CG-CG 3.57Å; Y56-Y120 HydrophobicContact CG-CG 3.57Å; Y56-Y120 AromaticContact CG-CZ 3.83Å; Y56-Y120 AromaticContact CZ-CD2 3.86Å; Y56-Y120 AromaticContact CZ-CG 3.9Å
57I93.7Very high94.2Very high26 Ų2659.5 Ų59.513%0.13331%0.307CS..Hα-helixtrans-59.5-42.9177.8-68.2168.6000110.2I14 I53 G54 E60 M61 I117 I121I14-I57 HydrophobicContact CD1-CD1 3.94Å; I14-I57 HydrophobicContact CG1-CD1 4.26Å; I53-I57 HydrophobicContact CG2-CD1 3.76Å; I53-I57 HydrophobicContact CG2-CG1 4.41Å; I53-I57 WeakPolarHBondContact O-CG1 3.37Å; I53-I57 PolarHBondContact O-N 3.32Å; G54-I57 PolarHBondContact O-N 3.33Å; I57-E60 PolarHBondContact O-N 3.19Å; I57-M61 WeakPolarHBondContact O-CG 3.45Å; I57-M61 PolarHBondContact O-N 3.03Å; I57-I117 HydrophobicContact CB-CD1 4.48Å; I57-I117 HydrophobicContact CD1-CG2 4.14Å; I57-I117 HydrophobicContact CG1-CD1 4.23Å; I57-I117 HydrophobicContact CG1-CG1 4.22Å; I57-I117 HydrophobicContact CG1-CG2 3.87Å; I57-I117 HydrophobicContact CG2-CD1 4.05Å; I57-I121 HydrophobicContact CD1-CD1 4.27Å
58Q93.7Very high94Very high118 Ų11861.6 Ų61.655%0.55132%0.319SS*.Hα-helixtrans-60.8-48.1176.1-179.2175-6.800111.6G54 A55 Y56 E60 M61 E62G54-Q58 WeakPolarHBondContact O-CB 3.44Å; G54-Q58 PolarHBondContact O-N 2.94Å; A55-Q58 PolarHBondContact O-N 3.24Å; Y56-Q58 VanDerWaalsContact C-N 3.28Å; Y56-Q58 PolarHBondContact O-N 2.95Å; Q58-E60 VanDerWaalsContact C-N 3.28Å; Q58-E60 PolarHBondContact O-N 3Å; Q58-M61 WeakPolarHBondContact O-CB 3.44Å; Q58-M61 PolarHBondContact O-N 3.45Å; Q58-M61 VanDerWaalsContact O-N 3.08Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.45Å; Q58-E62 PolarHBondContact NE2-OE1 3.4Å; Q58-E62 VanDerWaalsContact NE2-OE1 3.14Å; Q58-E62 WeakPolarHBondContact O-CG 2.76Å; Q58-E62 PolarHBondContact O-N 3.39Å
59A95.9Very high94Very high38 Ų3864.6 Ų64.631%0.31433%0.328SS..Hα-helixtrans-60.6-37.2177.500000112.4A55 Y56 K63A55-A59 WeakPolarHBondContact O-CB 3.44Å; A55-A59 PolarHBondContact O-N 3.42Å; Y56-A59 PolarHBondContact O-N 3.25Å; A59-K63 WeakPolarHBondContact O-CG 3.33Å; A59-K63 PolarHBondContact O-N 2.9Å; A59-K63 VanDerWaalsContact O-N 3.09Å
60E93.7Very high94.1Very high3 Ų368.7 Ų68.71%0.01434%0.341CS..Hα-helixtrans-67.3-39174-74.5-61.6127.900112.2Y56 I57 Q58 K63 L64 F113 R116 I117Y56-E60 HydrophobicContact CD1-CG 4.17Å; Y56-E60 HydrophobicContact CE1-CG 3.65Å; Y56-E60 HydrophobicContact CE2-CG 4.45Å; Y56-E60 PolarHBondContact O-N 3.08Å; I57-E60 PolarHBondContact O-N 3.19Å; Q58-E60 VanDerWaalsContact C-N 3.28Å; Q58-E60 PolarHBondContact O-N 3Å; E60-K63 PolarHBondContact O-N 3.42Å; E60-K63 IonicContact OE1-NZ 2.71Å; E60-K63 PolarHBondContact OE1-NZ 3.35Å; E60-L64 PolarHBondContact O-N 3.44Å; E60-F113 HydrophobicContact CB-CD2 4.09Å; E60-F113 HydrophobicContact CB-CE2 3.56Å; E60-F113 HydrophobicContact CB-CZ 4.45Å; E60-R116 IonicContact OE1-NE 3.17Å; E60-R116 IonicContact OE2-CZ 3.88Å; E60-R116 IonicContact OE2-NE 3.41Å; E60-R116 PolarHBondContact OE2-NE 3.41Å; E60-R116 IonicContact OE2-NH2 3.78Å; E60-R116 PolarHBondContact OE2-NH2 3.39Å; E60-I117 HydrophobicContact CB-CG1 4.45Å
61M92.1Very high94.2Very high42 Ų4269.1 Ų69.121%0.20735%0.345CS..Hα-helixtrans-64.5-43.1175.6-74.4-65.1-177.900111.3I6 I57 Q58 K63 L64 Q65 F113I6-M61 HydrophobicContact CD1-CE 3.7Å; I6-M61 HydrophobicContact CG1-CE 3.8Å; I57-M61 WeakPolarHBondContact O-CG 3.45Å; I57-M61 PolarHBondContact O-N 3.03Å; Q58-M61 WeakPolarHBondContact O-CB 3.44Å; Q58-M61 PolarHBondContact O-N 3.45Å; Q58-M61 VanDerWaalsContact O-N 3.08Å; M61-K63 VanDerWaalsContact C-N 3.32Å; M61-K63 PolarHBondContact O-N 3.01Å; M61-L64 WeakPolarHBondContact O-CB 3.42Å; M61-L64 PolarHBondContact O-N 3.33Å; M61-L64 VanDerWaalsContact O-N 3.13Å; M61-Q65 WeakPolarHBondContact O-CG 3.4Å; M61-Q65 PolarHBondContact O-N 3.22Å; M61-F113 HydrophobicContact CE-CE1 3.51Å; M61-F113 HydrophobicContact CE-CE2 4.3Å; M61-F113 HydrophobicContact CE-CZ 3.17Å; M61-F113 HydrophobicContact CG-CE2 4.28Å; M61-F113 HydrophobicContact CG-CZ 3.9Å; M61-F113 HydrophobicContact SD-CE1 4.02Å; M61-F113 HydrophobicContact SD-CE2 3.88Å; M61-F113 HydrophobicContact SD-CZ 3.28Å; M61-F113 WeakPolarHBondContact SD-CZ 3.35Å
62E94.9Very high94Very high83 Ų8367.8 Ų67.839%0.38834%0.339SS..Hα-helixtrans-60.2-40.8175.5-73171.8-169.400111.4Q58 L64 Q65 N66Q58-E62 WeakPolarHBondContact CG-OE1 3.45Å; Q58-E62 PolarHBondContact NE2-OE1 3.4Å; Q58-E62 VanDerWaalsContact NE2-OE1 3.14Å; Q58-E62 WeakPolarHBondContact O-CG 2.76Å; Q58-E62 PolarHBondContact O-N 3.39Å; E62-L64 VanDerWaalsContact C-N 3.31Å; E62-L64 PolarHBondContact O-N 2.94Å; E62-Q65 PolarHBondContact O-N 2.95Å; E62-N66 VanDerWaalsContact O-CB 3.27Å; E62-N66 WeakPolarHBondContact O-CB 3.32Å; E62-N66 PolarHBondContact O-N 3.31Å; E62-N66 PolarHBondContact O-ND2 3.47Å; E62-N66 VanDerWaalsContact O-ND2 3.12Å
63K93.7Very high94Very high114 Ų11466.9 Ų66.950%0.49634%0.338SS..Hα-helixtrans-59.7-40.8174-72.5172-168.1172.60112.5A59 E60 M61 R67A59-K63 WeakPolarHBondContact O-CG 3.33Å; A59-K63 PolarHBondContact O-N 2.9Å; A59-K63 VanDerWaalsContact O-N 3.09Å; E60-K63 PolarHBondContact O-N 3.42Å; E60-K63 IonicContact OE1-NZ 2.71Å; E60-K63 PolarHBondContact OE1-NZ 3.35Å; M61-K63 VanDerWaalsContact C-N 3.32Å; M61-K63 PolarHBondContact O-N 3.01Å; K63-R67 PolarHBondContact O-N 2.9Å; K63-R67 VanDerWaalsContact O-N 3.11Å
64L90.8Very high94Very high22 Ų2269.3 Ų69.312%0.11536%0.358CS..Hα-helixtrans-68.5-44177.8-175.963.3000111.2E60 M61 E62 R67 V68 C106 A109 L110E60-L64 PolarHBondContact O-N 3.44Å; M61-L64 WeakPolarHBondContact O-CB 3.42Å; M61-L64 PolarHBondContact O-N 3.33Å; M61-L64 VanDerWaalsContact O-N 3.13Å; E62-L64 VanDerWaalsContact C-N 3.31Å; E62-L64 PolarHBondContact O-N 2.94Å; L64-R67 WeakPolarHBondContact O-CB 3.33Å; L64-R67 PolarHBondContact O-N 3.25Å; L64-V68 PolarHBondContact O-N 3.23Å; L64-V68 VanDerWaalsContact O-N 3.15Å; L64-C106 HydrophobicContact CD1-CB 4.47Å; L64-A109 HydrophobicContact CD1-CB 4.25Å; L64-L110 HydrophobicContact CD2-CD2 3.64Å
65Q91.6Very high94.1Very high114 Ų11467.6 Ų67.653%0.53334%0.34SS..Hα-helixtrans-60.7-46.5175.5-71.1174.2-0.800111.7M61 E62 R67 V68 Q69M61-Q65 WeakPolarHBondContact O-CG 3.4Å; M61-Q65 PolarHBondContact O-N 3.22Å; E62-Q65 PolarHBondContact O-N 2.95Å; Q65-R67 PolarHBondContact O-N 2.84Å; Q65-V68 WeakPolarHBondContact O-CB 3.34Å; Q65-V68 PolarHBondContact O-N 3.33Å; Q65-Q69 PolarHBondContact O-N 2.95Å
66N94.5Very high93.9Very high69 Ų6968.7 Ų68.737%0.36934%0.335SS..Hα-helixtrans-60.3-33176.5-73.2-29.6000112E62 R70E62-N66 VanDerWaalsContact O-CB 3.27Å; E62-N66 WeakPolarHBondContact O-CB 3.32Å; E62-N66 PolarHBondContact O-N 3.31Å; E62-N66 PolarHBondContact O-ND2 3.47Å; E62-N66 VanDerWaalsContact O-ND2 3.12Å; N66-R70 WeakPolarHBondContact O-CB 3.46Å; N66-R70 WeakPolarHBondContact O-CG 3.49Å; N66-R70 PolarHBondContact O-N 3.23Å; N66-R70 PolarHBondContact O-NH1 3.09Å
67R92.3Very high93.7Very high89 Ų8970.1 Ų70.134%0.33635%0.347SS..Hα-helixtrans-66.5-42.3173.9-179.3178.3175.7173.9-3.2111.7K63 L64 Q65 C71 D105K63-R67 PolarHBondContact O-N 2.9Å; K63-R67 VanDerWaalsContact O-N 3.11Å; L64-R67 WeakPolarHBondContact O-CB 3.33Å; L64-R67 PolarHBondContact O-N 3.25Å; Q65-R67 PolarHBondContact O-N 2.84Å; R67-C71 WeakPolarHBondContact O-CB 3.32Å; R67-C71 PolarHBondContact O-N 3.25Å; R67-C71 VanDerWaalsContact O-N 3.07Å; R67-D105 PolarHBondContact NH2-O 3Å; R67-D105 VanDerWaalsContact NH2-O 3.12Å; R67-D105 IonicContact NH2-OD1 3.77Å
68V92.2Very high93.6Very high64 Ų6472.6 Ų72.639%0.38836%0.358SS..Hα-helixtrans-60.7-51.5175.8176.50000110.1L64 Q65 R70 C71 E72 C106L64-V68 PolarHBondContact O-N 3.23Å; L64-V68 VanDerWaalsContact O-N 3.15Å; Q65-V68 WeakPolarHBondContact O-CB 3.34Å; Q65-V68 PolarHBondContact O-N 3.33Å; V68-R70 PolarHBondContact O-N 3.4Å; V68-C71 WeakPolarHBondContact O-CB 3.41Å; V68-C71 PolarHBondContact O-N 2.9Å; V68-C71 VanDerWaalsContact O-N 3.09Å; V68-E72 PolarHBondContact O-N 3.27Å; V68-C106 HydrophobicContact CG2-CB 4.38Å; V68-C106 WeakPolarHBondContact CG2-SG 3.36Å
69Q94.8Very high93.5Very high107 Ų10767.4 Ų67.450%0.533%0.334SS..Hα-helixtrans-60-45.2-178.9-71.2176.4-15.600112.5Q65 C71 E72 M73Q65-Q69 PolarHBondContact O-N 2.95Å; Q69-C71 VanDerWaalsContact C-N 3.27Å; Q69-C71 PolarHBondContact O-N 3.13Å; Q69-E72 PolarHBondContact O-N 3.25Å; Q69-M73 WeakPolarHBondContact O-CG 3.44Å; Q69-M73 PolarHBondContact O-N 3.21Å
70R95.7Very high93Very high144 Ų14471.7 Ų71.754%0.54335%0.348SS..Hα-helixtrans-61.5-36.8175.5-75.8-167.4-55.4-88-1.5112.6N66 V68 M73 A74N66-R70 WeakPolarHBondContact O-CB 3.46Å; N66-R70 WeakPolarHBondContact O-CG 3.49Å; N66-R70 PolarHBondContact O-N 3.23Å; N66-R70 PolarHBondContact O-NH1 3.09Å; V68-R70 PolarHBondContact O-N 3.4Å; R70-M73 HydrophobicContact CG-CE 4.16Å; R70-A74 WeakPolarHBondContact O-CB 3.38Å; R70-A74 PolarHBondContact O-N 2.97Å
71C95.8Very high92.8Very high30 Ų3078.2 Ų78.220%0.20338%0.383CS..Hα-helixtrans-70.3-41.5178.6-161.80000111.4R67 V68 Q69 A74 C75 C102R67-C71 WeakPolarHBondContact O-CB 3.32Å; R67-C71 PolarHBondContact O-N 3.25Å; R67-C71 VanDerWaalsContact O-N 3.07Å; V68-C71 WeakPolarHBondContact O-CB 3.41Å; V68-C71 PolarHBondContact O-N 2.9Å; V68-C71 VanDerWaalsContact O-N 3.09Å; Q69-C71 VanDerWaalsContact C-N 3.27Å; Q69-C71 PolarHBondContact O-N 3.13Å; C71-A74 PolarHBondContact O-N 3.33Å; C71-C75 PolarHBondContact O-N 2.9Å; C71-C75 PolarHBondContact O-SG 3.1Å; C71-C102 HydrophobicContact CB-CB 3.62Å; C71-C102 WeakPolarHBondContact CB-SG 3.28Å; C71-C102 PolarHBondContact O-SG 2.71Å; C71-C102 WeakPolarHBondContact SG-CA 3.07Å; C71-C102 WeakPolarHBondContact SG-CB 3.43Å; C71-C102 CovalentContact SG-SG 2.01Å; C71-C102 PolarHBondContact SG-SG 2.89Å
72E93Very high92.5Very high90 Ų9082 Ų8242%0.42140%0.398SS..Hα-helixtrans-60-46.8174.2-175-177.8173.700112V68 Q69 A74 C75 Q76V68-E72 PolarHBondContact O-N 3.27Å; Q69-E72 PolarHBondContact O-N 3.25Å; E72-A74 PolarHBondContact O-N 3.26Å; E72-C75 WeakPolarHBondContact O-CB 3.12Å; E72-C75 PolarHBondContact O-N 3.32Å; E72-Q76 WeakPolarHBondContact O-CG 3.36Å; E72-Q76 PolarHBondContact O-N 3.46Å
73M94.7Very high92Very high99 Ų9979.9 Ų79.949%0.48840%0.395SS..Hα-helixtrans-59.8-46.4175.7-70.3-174-6200111.5Q69 R70 C75 Q76 D77Q69-M73 WeakPolarHBondContact O-CG 3.44Å; Q69-M73 PolarHBondContact O-N 3.21Å; R70-M73 HydrophobicContact CG-CE 4.16Å; M73-C75 PolarHBondContact O-N 3Å; M73-Q76 WeakPolarHBondContact O-CB 3.3Å; M73-Q76 PolarHBondContact O-N 2.88Å; M73-D77 VanDerWaalsContact O-CG 3.32Å; M73-D77 PolarHBondContact O-N 3.15Å
74A95.4Very high91.2Very high54 Ų5480.6 Ų80.645%0.44641%0.408SS..Hα-helixtrans-59.5-35176.700000112.6R70 C71 E72 E78R70-A74 WeakPolarHBondContact O-CB 3.38Å; R70-A74 PolarHBondContact O-N 2.97Å; C71-A74 PolarHBondContact O-N 3.33Å; E72-A74 PolarHBondContact O-N 3.26Å; A74-E78 WeakPolarHBondContact O-CB 3.4Å; A74-E78 PolarHBondContact O-N 3.07Å
75C95.4Very high90.5Very high0 Ų082.4 Ų82.40%042%0.423CS..Hα-helixtrans-68.7-37.2174.2-67.60000113C71 E72 M73 V79 L95 C98 I99 C102C71-C75 PolarHBondContact O-N 2.9Å; C71-C75 PolarHBondContact O-SG 3.1Å; E72-C75 WeakPolarHBondContact O-CB 3.12Å; E72-C75 PolarHBondContact O-N 3.32Å; M73-C75 PolarHBondContact O-N 3Å; C75-V79 VanDerWaalsContact O-CG2 3.28Å; C75-V79 WeakPolarHBondContact O-CG2 3.37Å; C75-V79 PolarHBondContact O-N 3.19Å; C75-L95 HydrophobicContact CB-CD1 3.95Å; C75-C98 WeakPolarHBondContact CA-SG 3.39Å; C75-C98 HydrophobicContact CB-CB 3.6Å; C75-C98 WeakPolarHBondContact CB-SG 3.45Å; C75-C98 WeakPolarHBondContact SG-CB 3.47Å; C75-C98 CovalentContact SG-SG 2.03Å; C75-C98 PolarHBondContact SG-SG 3.25Å; C75-I99 HydrophobicContact CB-CG1 4.35Å; C75-C102 PolarHBondContact SG-SG 2.79Å
76Q92.1Very high89.7Confident82 Ų8282.2 Ų82.238%0.38344%0.441SS..Hα-helixtrans-65.6-45.9175.2-68.7174.9-0.200110.5E72 M73 E78 V79 Q80 L95E72-Q76 WeakPolarHBondContact O-CG 3.36Å; E72-Q76 PolarHBondContact O-N 3.46Å; M73-Q76 WeakPolarHBondContact O-CB 3.3Å; M73-Q76 PolarHBondContact O-N 2.88Å; Q76-E78 PolarHBondContact O-N 3.17Å; Q76-V79 PolarHBondContact O-N 2.76Å; Q76-Q80 WeakPolarHBondContact O-CG 3.28Å; Q76-Q80 PolarHBondContact O-N 3.36Å; Q76-L95 HydrophobicContact CG-CD1 4.32Å
77D92.2Very high88.7Confident84 Ų8486.2 Ų86.245%0.44946%0.462SS..Hα-helixtrans-59.4-46.7176.4-63.4-20.6000110.8M73 V79 Q80 D81M73-D77 VanDerWaalsContact O-CG 3.32Å; M73-D77 PolarHBondContact O-N 3.15Å; D77-V79 VanDerWaalsContact C-N 3.26Å; D77-V79 PolarHBondContact O-N 2.8Å; D77-Q80 PolarHBondContact O-N 2.97Å; D77-Q80 VanDerWaalsContact O-N 3.09Å; D77-D81 WeakPolarHBondContact O-CB 3.47Å; D77-D81 PolarHBondContact O-N 3.41Å
78E91.2Very high88Confident79 Ų7986.1 Ų86.137%0.36947%0.466SS..Hα-helixtrans-59.1-37.7179.4-157.1-161.8144.800112.2A74 Q76 K82 M94A74-E78 WeakPolarHBondContact O-CB 3.4Å; A74-E78 PolarHBondContact O-N 3.07Å; Q76-E78 PolarHBondContact O-N 3.17Å; E78-K82 PolarHBondContact O-N 2.65Å; E78-K82 IonicContact OE1-NZ 2.83Å; E78-K82 PolarHBondContact OE1-NZ 2.9Å; E78-M94 HydrophobicContact CB-CE 3.72Å; E78-M94 HydrophobicContact CG-CE 3.39Å; E78-M94 WeakPolarHBondContact O-CE 3.43Å; E78-M94 VanDerWaalsContact OE1-CE 3.23Å; E78-M94 WeakPolarHBondContact OE1-CE 3.34Å
79V90.4Very high87.4Confident8 Ų891.9 Ų91.95%0.04849%0.485CS..Hα-helixtrans-73.7-36.8178.5173.80000111.2C75 Q76 D77 P90 M94 L95C75-V79 VanDerWaalsContact O-CG2 3.28Å; C75-V79 WeakPolarHBondContact O-CG2 3.37Å; C75-V79 PolarHBondContact O-N 3.19Å; Q76-V79 PolarHBondContact O-N 2.76Å; D77-V79 VanDerWaalsContact C-N 3.26Å; D77-V79 PolarHBondContact O-N 2.8Å; V79-P90 HydrophobicContact CG1-CB 3.55Å; V79-M94 HydrophobicContact CB-CE 4.44Å; V79-M94 HydrophobicContact CG2-CB 4.24Å; V79-M94 HydrophobicContact CG2-CE 3.82Å; V79-M94 HydrophobicContact CG2-CG 3.97Å; V79-M94 HydrophobicContact CG2-SD 4.22Å; V79-L95 HydrophobicContact CG2-CB 3.92Å; V79-L95 HydrophobicContact CG2-CD1 4.28Å
80Q87.5Confident86.7Confident129 Ų12990.8 Ų90.860%0.60349%0.488SS*.Hα-helixtrans-67.6-41.3175.4-72.4179.413.100111.8Q76 D77 K82 A83Q76-Q80 WeakPolarHBondContact O-CG 3.28Å; Q76-Q80 PolarHBondContact O-N 3.36Å; D77-Q80 PolarHBondContact O-N 2.97Å; D77-Q80 VanDerWaalsContact O-N 3.09Å; Q80-K82 PolarHBondContact O-N 3.25Å; Q80-A83 VanDerWaalsContact O-CB 3.26Å; Q80-A83 WeakPolarHBondContact O-CB 3.44Å; Q80-A83 PolarHBondContact O-N 3.4Å
81D88Confident86.3Confident140 Ų14088.1 Ų88.175%0.74948%0.484SS*.Hα-helixtrans-65.2-24.3-179.8-75.4-16.4000113.2D77D77-D81 WeakPolarHBondContact O-CB 3.47Å; D77-D81 PolarHBondContact O-N 3.41Å
82K86.7Confident86.1Confident121 Ų12195.4 Ų95.453%0.52651%0.508SS..THydrogen-bonded Turntrans-87.9-8.7174.9-66.5-169.4-158.3157.60113.6E78 Q80 T84 M94E78-K82 PolarHBondContact O-N 2.65Å; E78-K82 IonicContact OE1-NZ 2.83Å; E78-K82 PolarHBondContact OE1-NZ 2.9Å; Q80-K82 PolarHBondContact O-N 3.25Å; K82-T84 PolarHBondContact O-N 3.05Å; K82-M94 HydrophobicContact CD-CE 3.67Å; K82-M94 HydrophobicContact CD-SD 3.51Å; K82-M94 VanDerWaalsContact CD-SD 3.51Å; K82-M94 VanDerWaalsContact CE-CE 3.41Å; K82-M94 HydrophobicContact CG-CE 4.29Å; K82-M94 HydrophobicContact CG-SD 4.46Å; K82-M94 PolarHBondContact NZ-SD 2.99Å
83A83.7Confident86Confident39 Ų3998.7 Ų98.732%0.32252%0.52SS..  trans-69.7119.817500000109.8Q80 S85 E88Q80-A83 VanDerWaalsContact O-CB 3.26Å; Q80-A83 WeakPolarHBondContact O-CB 3.44Å; Q80-A83 PolarHBondContact O-N 3.4Å; A83-S85 VanDerWaalsContact C-N 3.28Å; A83-S85 PolarHBondContact O-N 3.38Å; A83-E88 HydrophobicContact CB-CB 4.3Å
84T76.5Confident85.9Confident128 Ų12895 Ų9579%0.78550%0.502SS*.SBendtrans-77.8-14.8179.163.90000112.9K82 E88K82-T84 PolarHBondContact O-N 3.05Å; T84-E88 WeakPolarHBondContact CA-OE2 3.32Å; T84-E88 WeakPolarHBondContact CB-OE2 3.48Å; T84-E88 PolarHBondContact N-OE2 3.46Å; T84-E88 PolarHBondContact OG1-OE2 3.16Å
85S77.5Confident85.7Confident60 Ų6094.7 Ų94.742%0.4249%0.493SS..SBendtrans-148.4153.6174.973.50000111.4A83 N87 E88A83-S85 VanDerWaalsContact C-N 3.28Å; A83-S85 PolarHBondContact O-N 3.38Å; S85-N87 PolarHBondContact O-N 3.38Å; S85-E88 WeakPolarHBondContact O-CB 3.22Å; S85-E88 PolarHBondContact O-N 2.92Å; S85-E88 PolarHBondContact OG-N 2.86Å
86A73.8Confident85.7Confident110 Ų110100 Ų10091%0.90952%0.517SS*.THydrogen-bonded Turntrans-61.1-15.9176.700000114.1
87N74.1Confident85.8Confident154 Ų154101 Ų10182%0.82453%0.526SS*.THydrogen-bonded Turntrans-101.7-0.8178.3-67.2-38.3000112.9S85 K89S85-N87 PolarHBondContact O-N 3.38Å; N87-K89 PolarHBondContact O-N 3.35Å
88E77.6Confident86Confident86 Ų8697.9 Ų97.940%0.40251%0.51SS..SBendtrans-69.6131.2177.5-171.4168.1179.900109.8A83 T84 S85A83-E88 HydrophobicContact CB-CB 4.3Å; T84-E88 WeakPolarHBondContact CA-OE2 3.32Å; T84-E88 WeakPolarHBondContact CB-OE2 3.48Å; T84-E88 PolarHBondContact N-OE2 3.46Å; T84-E88 PolarHBondContact OG1-OE2 3.16Å; S85-E88 WeakPolarHBondContact O-CB 3.22Å; S85-E88 PolarHBondContact O-N 2.92Å; S85-E88 PolarHBondContact OG-N 2.86Å
89K80.3Confident86.1Confident185 Ų18597.6 Ų97.680%0.80451%0.51SS*.PPolyproline II helixtrans-68.4133.6176.6-72.7-179.8179.1176.80108.5N87 D91N87-K89 PolarHBondContact O-N 3.35Å; K89-D91 PolarHBondContact O-N 3.05Å
90P79.7Confident86.3Confident84 Ų8499.6 Ų99.655%0.54553%0.528SS..PPolyproline II helixtrans-56.8135.8178.720.9-31000110.5V79 R92V79-P90 HydrophobicContact CG1-CB 3.55Å; P90-R92 PolarHBondContact O-N 3.44Å
91D87.7Confident86.6Confident88 Ų88100 Ų10047%0.47153%0.527SS..  trans-66.495.5175-176.6-11.7000109.5K89 K93 M94 L95K89-D91 PolarHBondContact O-N 3.05Å; D91-K93 VanDerWaalsContact C-N 3.26Å; D91-K93 PolarHBondContact O-N 3.02Å; D91-K93 WeakPolarHBondContact OD1-CB 3.32Å; D91-K93 PolarHBondContact OD1-N 2.97Å; D91-M94 HydrophobicContact CB-CB 3.82Å; D91-M94 VanDerWaalsContact CG-CB 3.47Å; D91-M94 WeakPolarHBondContact O-CB 3.31Å; D91-M94 PolarHBondContact O-N 2.85Å; D91-M94 PolarHBondContact OD1-N 3.35Å; D91-M94 VanDerWaalsContact OD1-N 3.07Å; D91-L95 PolarHBondContact O-N 3.39Å
92R89.8Confident86.9Confident184 Ų18493.7 Ų93.769%0.69449%0.494SS*.Hα-helixtrans-59.9-36.1-179.2-67-17864.9142.42.1112.4P90 M94 L95 E96P90-R92 PolarHBondContact O-N 3.44Å; R92-M94 VanDerWaalsContact C-N 3.33Å; R92-L95 PolarHBondContact O-N 3.41Å; R92-E96 WeakPolarHBondContact O-CB 3.43Å; R92-E96 VanDerWaalsContact O-CG 3.23Å; R92-E96 WeakPolarHBondContact O-CG 3.3Å; R92-E96 PolarHBondContact O-N 3.4Å
93K92Very high87.2Confident158 Ų15890.4 Ų90.469%0.68749%0.489SS*.Hα-helixtrans-68.4-40.2179.8-71.8-175.5177.1-179.40110.3D91 E96 N97D91-K93 VanDerWaalsContact C-N 3.26Å; D91-K93 PolarHBondContact O-N 3.02Å; D91-K93 WeakPolarHBondContact OD1-CB 3.32Å; D91-K93 PolarHBondContact OD1-N 2.97Å; K93-E96 PolarHBondContact O-N 2.95Å; K93-N97 WeakPolarHBondContact O-CB 3.43Å; K93-N97 PolarHBondContact O-N 2.77Å; K93-N97 PolarHBondContact O-ND2 3.49Å; K93-N97 VanDerWaalsContact O-ND2 3.13Å
94M91.5Very high87.6Confident22 Ų2292.8 Ų92.811%0.10850%0.497CS..Hα-helixtrans-63-45174.7-178.6176.6148.700111.6E78 V79 K82 D91 R92 N97 C98E78-M94 HydrophobicContact CB-CE 3.72Å; E78-M94 HydrophobicContact CG-CE 3.39Å; E78-M94 WeakPolarHBondContact O-CE 3.43Å; E78-M94 VanDerWaalsContact OE1-CE 3.23Å; E78-M94 WeakPolarHBondContact OE1-CE 3.34Å; V79-M94 HydrophobicContact CB-CE 4.44Å; V79-M94 HydrophobicContact CG2-CB 4.24Å; V79-M94 HydrophobicContact CG2-CE 3.82Å; V79-M94 HydrophobicContact CG2-CG 3.97Å; V79-M94 HydrophobicContact CG2-SD 4.22Å; K82-M94 HydrophobicContact CD-CE 3.67Å; K82-M94 HydrophobicContact CD-SD 3.51Å; K82-M94 VanDerWaalsContact CD-SD 3.51Å; K82-M94 VanDerWaalsContact CE-CE 3.41Å; K82-M94 HydrophobicContact CG-CE 4.29Å; K82-M94 HydrophobicContact CG-SD 4.46Å; K82-M94 PolarHBondContact NZ-SD 2.99Å; D91-M94 HydrophobicContact CB-CB 3.82Å; D91-M94 VanDerWaalsContact CG-CB 3.47Å; D91-M94 WeakPolarHBondContact O-CB 3.31Å; D91-M94 PolarHBondContact O-N 2.85Å; D91-M94 PolarHBondContact OD1-N 3.35Å; D91-M94 VanDerWaalsContact OD1-N 3.07Å; R92-M94 VanDerWaalsContact C-N 3.33Å; M94-N97 PolarHBondContact O-N 2.98Å; M94-C98 WeakPolarHBondContact O-CB 3.49Å; M94-C98 PolarHBondContact O-N 2.92Å
95L92.5Very high88.3Confident47 Ų4788.9 Ų88.925%0.24647%0.471CS..Hα-helixtrans-58.2-50175.3-174.859000111.5C75 Q76 V79 D91 R92 N97 C98 I99C75-L95 HydrophobicContact CB-CD1 3.95Å; Q76-L95 HydrophobicContact CG-CD1 4.32Å; V79-L95 HydrophobicContact CG2-CB 3.92Å; V79-L95 HydrophobicContact CG2-CD1 4.28Å; D91-L95 PolarHBondContact O-N 3.39Å; R92-L95 PolarHBondContact O-N 3.41Å; L95-N97 PolarHBondContact O-N 3.47Å; L95-C98 PolarHBondContact O-N 3.37Å; L95-I99 HydrophobicContact CD1-CD1 3.89Å; L95-I99 HydrophobicContact CD1-CG1 4.25Å; L95-I99 HydrophobicContact CG-CD1 3.8Å; L95-I99 HydrophobicContact CG-CG1 4.49Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 3.03Å
96E93.8Very high88.9Confident111 Ų11186.7 Ų86.752%0.51946%0.456SS..Hα-helixtrans-59.2-44.7179.2-75.2167-171.400111.8R92 K93 C98 I99 A100R92-E96 WeakPolarHBondContact O-CB 3.43Å; R92-E96 VanDerWaalsContact O-CG 3.23Å; R92-E96 WeakPolarHBondContact O-CG 3.3Å; R92-E96 PolarHBondContact O-N 3.4Å; K93-E96 PolarHBondContact O-N 2.95Å; E96-C98 VanDerWaalsContact C-N 3.34Å; E96-C98 PolarHBondContact O-N 2.62Å; E96-I99 PolarHBondContact O-N 2.04Å; E96-A100 WeakPolarHBondContact O-CB 3.37Å; E96-A100 PolarHBondContact O-N 3.34Å
97N95.3Very high89.8Confident105 Ų10584.9 Ų84.956%0.56143%0.43SS*.Hα-helixtrans-64.6-38177-73.7-28.2000112.4K93 M94 L95 K101K93-N97 WeakPolarHBondContact O-CB 3.43Å; K93-N97 PolarHBondContact O-N 2.77Å; K93-N97 PolarHBondContact O-ND2 3.49Å; K93-N97 VanDerWaalsContact O-ND2 3.13Å; M94-N97 PolarHBondContact O-N 2.98Å; L95-N97 PolarHBondContact O-N 3.47Å; N97-K101 WeakPolarHBondContact O-CG 3.46Å; N97-K101 PolarHBondContact O-N 2.73Å
98C95.3Very high90.6Very high17 Ų1785.5 Ų85.512%0.11542%0.421CS..Hα-helixtrans-68.5-46.6176.9-174.40000111.3C75 M94 L95 E96 A100 K101 C102C75-C98 WeakPolarHBondContact CA-SG 3.39Å; C75-C98 HydrophobicContact CB-CB 3.6Å; C75-C98 WeakPolarHBondContact CB-SG 3.45Å; C75-C98 WeakPolarHBondContact SG-CB 3.47Å; C75-C98 CovalentContact SG-SG 2.03Å; C75-C98 PolarHBondContact SG-SG 3.25Å; M94-C98 WeakPolarHBondContact O-CB 3.49Å; M94-C98 PolarHBondContact O-N 2.92Å; L95-C98 PolarHBondContact O-N 3.37Å; E96-C98 VanDerWaalsContact C-N 3.34Å; E96-C98 PolarHBondContact O-N 2.62Å; C98-A100 VanDerWaalsContact C-N 3.28Å; C98-A100 PolarHBondContact O-N 2.95Å; C98-K101 WeakPolarHBondContact O-CB 3.36Å; C98-K101 PolarHBondContact O-N 3.15Å; C98-C102 PolarHBondContact O-N 3.46Å; C98-C102 PolarHBondContact O-SG 3.46Å; C98-C102 VanDerWaalsContact O-SG 3.39Å
99I94.2Very high91.3Very high73 Ų7382 Ų8237%0.37441%0.407SS..Hα-helixtrans-61.5-37176.5-67.2171.6000111.2C75 L95 E96 K101 C102 A103C75-I99 HydrophobicContact CB-CG1 4.35Å; L95-I99 HydrophobicContact CD1-CD1 3.89Å; L95-I99 HydrophobicContact CD1-CG1 4.25Å; L95-I99 HydrophobicContact CG-CD1 3.8Å; L95-I99 HydrophobicContact CG-CG1 4.49Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 3.03Å; E96-I99 PolarHBondContact O-N 2.04Å; I99-K101 VanDerWaalsContact C-N 3.34Å; I99-K101 PolarHBondContact O-N 3.43Å; I99-C102 VanDerWaalsContact O-CB 3.27Å; I99-C102 WeakPolarHBondContact O-CB 3.08Å; I99-C102 PolarHBondContact O-N 2.98Å; I99-C102 VanDerWaalsContact O-N 3.15Å; I99-A103 PolarHBondContact O-N 3.29Å
100A94.6Very high91.8Very high50 Ų5073.4 Ų73.441%0.41337%0.37SS..Hα-helixtrans-60.1-43173.800000111.9E96 C98 C102 A103 D104E96-A100 WeakPolarHBondContact O-CB 3.37Å; E96-A100 PolarHBondContact O-N 3.34Å; C98-A100 VanDerWaalsContact C-N 3.28Å; C98-A100 PolarHBondContact O-N 2.95Å; A100-C102 VanDerWaalsContact C-N 3.32Å; A100-C102 PolarHBondContact O-N 3.27Å; A100-A103 WeakPolarHBondContact O-CB 3.36Å; A100-A103 PolarHBondContact O-N 3.21Å; A100-D104 PolarHBondContact O-N 3.49Å
101K94.8Very high92.4Very high138 Ų13873 Ų7360%0.637%0.367SS*.Hα-helixtrans-62-39.1173.4-68172.7-178176.30112N97 C98 I99 A103 D104 D105N97-K101 WeakPolarHBondContact O-CG 3.46Å; N97-K101 PolarHBondContact O-N 2.73Å; C98-K101 WeakPolarHBondContact O-CB 3.36Å; C98-K101 PolarHBondContact O-N 3.15Å; I99-K101 VanDerWaalsContact C-N 3.34Å; I99-K101 PolarHBondContact O-N 3.43Å; K101-A103 VanDerWaalsContact C-N 3.31Å; K101-A103 PolarHBondContact O-N 3.43Å; K101-D104 PolarHBondContact O-N 3.07Å; K101-D105 WeakPolarHBondContact O-CB 3.44Å; K101-D105 PolarHBondContact O-N 3.49Å
102C94.4Very high92.7Very high8 Ų873.4 Ų73.45%0.05437%0.369CS..Hα-helixtrans-58.8-43174.4-64.40000112.3C71 C75 C98 I99 A100 D105 C106C71-C102 HydrophobicContact CB-CB 3.62Å; C71-C102 WeakPolarHBondContact CB-SG 3.28Å; C71-C102 PolarHBondContact O-SG 2.71Å; C71-C102 WeakPolarHBondContact SG-CA 3.07Å; C71-C102 WeakPolarHBondContact SG-CB 3.43Å; C71-C102 CovalentContact SG-SG 2.01Å; C71-C102 PolarHBondContact SG-SG 2.89Å; C75-C102 PolarHBondContact SG-SG 2.79Å; C98-C102 PolarHBondContact O-N 3.46Å; C98-C102 PolarHBondContact O-SG 3.46Å; C98-C102 VanDerWaalsContact O-SG 3.39Å; I99-C102 VanDerWaalsContact O-CB 3.27Å; I99-C102 WeakPolarHBondContact O-CB 3.08Å; I99-C102 PolarHBondContact O-N 2.98Å; I99-C102 VanDerWaalsContact O-N 3.15Å; A100-C102 VanDerWaalsContact C-N 3.32Å; A100-C102 PolarHBondContact O-N 3.27Å; C102-D105 PolarHBondContact O-N 2.94Å; C102-C106 PolarHBondContact O-N 3.29Å; C102-C106 PolarHBondContact O-SG 3.44Å
103A92.1Very high92.8Very high51 Ų5164.7 Ų64.742%0.42134%0.336SS..Hα-helixtrans-62.6-47.1175.900000111.1I99 A100 K101 D105 C106 L107I99-A103 PolarHBondContact O-N 3.29Å; A100-A103 WeakPolarHBondContact O-CB 3.36Å; A100-A103 PolarHBondContact O-N 3.21Å; K101-A103 VanDerWaalsContact C-N 3.31Å; K101-A103 PolarHBondContact O-N 3.43Å; A103-D105 VanDerWaalsContact C-N 3.33Å; A103-D105 PolarHBondContact O-N 3.33Å; A103-C106 PolarHBondContact O-N 2.86Å; A103-C106 VanDerWaalsContact O-N 3.14Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 3.33Å
104D92.6Very high92.9Very high89 Ų8961.4 Ų61.448%0.47632%0.32SS..Hα-helixtrans-61.3-39.8177.6-72.4-22.7000112.7A100 K101 C106 L107 R108A100-D104 PolarHBondContact O-N 3.49Å; K101-D104 PolarHBondContact O-N 3.07Å; D104-C106 VanDerWaalsContact C-N 3.34Å; D104-L107 PolarHBondContact O-N 2.86Å; D104-R108 WeakPolarHBondContact O-CB 3.47Å; D104-R108 WeakPolarHBondContact O-CG 3.39Å; D104-R108 PolarHBondContact O-N 3.28Å; D104-R108 PolarHBondContact O-NE 3.02Å
105D91.7Very high93Very high47 Ų4766 Ų6625%0.25134%0.339SS..Hα-helixtrans-61.2-41.7173.7-92.9-29.3000112.3R67 K101 C102 A103 R108 A109R67-D105 PolarHBondContact NH2-O 3Å; R67-D105 VanDerWaalsContact NH2-O 3.12Å; R67-D105 IonicContact NH2-OD1 3.77Å; K101-D105 WeakPolarHBondContact O-CB 3.44Å; K101-D105 PolarHBondContact O-N 3.49Å; C102-D105 PolarHBondContact O-N 2.94Å; A103-D105 VanDerWaalsContact C-N 3.33Å; A103-D105 PolarHBondContact O-N 3.33Å; D105-R108 PolarHBondContact O-N 3.43Å; D105-R108 IonicContact OD1-CZ 3.05Å; D105-R108 IonicContact OD1-NE 3.91Å; D105-R108 IonicContact OD1-NH1 3.29Å; D105-R108 PolarHBondContact OD1-NH1 3.07Å; D105-R108 IonicContact OD1-NH2 2.72Å; D105-R108 PolarHBondContact OD1-NH2 2.81Å; D105-A109 PolarHBondContact O-N 2.98Å
106C89.7Confident93.2Very high14 Ų1468.1 Ų68.110%0.09534%0.344CS..Hα-helixtrans-68.7-41.8176.6-68.20000111.5L64 V68 C102 A103 D104 R108 A109 L110L64-C106 HydrophobicContact CD1-CB 4.47Å; V68-C106 HydrophobicContact CG2-CB 4.38Å; V68-C106 WeakPolarHBondContact CG2-SG 3.36Å; C102-C106 PolarHBondContact O-N 3.29Å; C102-C106 PolarHBondContact O-SG 3.44Å; A103-C106 PolarHBondContact O-N 2.86Å; A103-C106 VanDerWaalsContact O-N 3.14Å; D104-C106 VanDerWaalsContact C-N 3.34Å; C106-R108 VanDerWaalsContact C-N 3.32Å; C106-R108 PolarHBondContact O-N 3.2Å; C106-A109 VanDerWaalsContact O-CB 3.26Å; C106-A109 WeakPolarHBondContact O-CB 3.43Å; C106-A109 PolarHBondContact O-N 3.41Å; C106-L110 WeakPolarHBondContact O-CG 3.38Å; C106-L110 PolarHBondContact O-N 2.91Å
107L91.5Very high93.2Very high72 Ų7262.9 Ų62.938%0.37732%0.319SS..Hα-helixtrans-59.9-41.8174.7-69.4177.4000111.7M1 A103 D104 A109 L110M1-L107 HydrophobicContact CB-CD2 4.28Å; M1-L107 HydrophobicContact SD-CD2 4.06Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 3.33Å; D104-L107 PolarHBondContact O-N 2.86Å; L107-A109 PolarHBondContact O-N 3.15Å; L107-L110 HydrophobicContact CD2-CD1 3.84Å; L107-L110 WeakPolarHBondContact O-CB 3.35Å; L107-L110 PolarHBondContact O-N 3.26Å
108R91.9Very high93.2Very high166 Ų16658.5 Ų58.563%0.62630%0.297SS*.Hα-helixtrans-64-23.7174-77.5-176.1-80.1145.5-8.2113.5D104 D105 C106D104-R108 WeakPolarHBondContact O-CB 3.47Å; D104-R108 WeakPolarHBondContact O-CG 3.39Å; D104-R108 PolarHBondContact O-N 3.28Å; D104-R108 PolarHBondContact O-NE 3.02Å; D105-R108 PolarHBondContact O-N 3.43Å; D105-R108 IonicContact OD1-CZ 3.05Å; D105-R108 IonicContact OD1-NE 3.91Å; D105-R108 IonicContact OD1-NH1 3.29Å; D105-R108 PolarHBondContact OD1-NH1 3.07Å; D105-R108 IonicContact OD1-NH2 2.72Å; D105-R108 PolarHBondContact OD1-NH2 2.81Å; C106-R108 VanDerWaalsContact C-N 3.32Å; C106-R108 PolarHBondContact O-N 3.2Å
109A91.7Very high93.2Very high13 Ų1361.6 Ų61.611%0.10731%0.309CS..Hα-helixtrans-80-24.4177.200000113.4L64 D105 C106 L107 N112 F113L64-A109 HydrophobicContact CD1-CB 4.25Å; D105-A109 PolarHBondContact O-N 2.98Å; C106-A109 VanDerWaalsContact O-CB 3.26Å; C106-A109 WeakPolarHBondContact O-CB 3.43Å; C106-A109 PolarHBondContact O-N 3.41Å; L107-A109 PolarHBondContact O-N 3.15Å; A109-N112 PolarHBondContact O-N 2.96Å; A109-F113 PolarHBondContact O-N 2.85Å
110L91.5Very high93.3Very high5 Ų561.7 Ų61.73%0.02631%0.305CS..Hα-helixtrans-58.6-40.9-171.9-64.6-174.8000114.6M1 L2 L5 L64 C106 L107 N112 F113 R114M1-L110 HydrophobicContact CG-CD1 4.48Å; L2-L110 HydrophobicContact CB-CD1 4.19Å; L2-L110 HydrophobicContact CD1-CD1 4.26Å; L2-L110 HydrophobicContact CD1-CD2 3.65Å; L5-L110 HydrophobicContact CD1-CB 3.94Å; L64-L110 HydrophobicContact CD2-CD2 3.64Å; C106-L110 WeakPolarHBondContact O-CG 3.38Å; C106-L110 PolarHBondContact O-N 2.91Å; L107-L110 HydrophobicContact CD2-CD1 3.84Å; L107-L110 WeakPolarHBondContact O-CB 3.35Å; L107-L110 PolarHBondContact O-N 3.26Å; L110-N112 VanDerWaalsContact C-N 3.33Å; L110-N112 PolarHBondContact O-N 3.47Å; L110-F113 WeakPolarHBondContact O-CB 3.43Å; L110-F113 PolarHBondContact O-N 3.47Å; L110-R114 PolarHBondContact O-N 2.82Å
111P92.5Very high93.2Very high76 Ų7659.5 Ų59.549%0.49429%0.287SS..Hα-helixtrans-61.1-41.8177.2-2535.8000112.6R114 K115P111-R114 PolarHBondContact O-N 3.23Å; P111-K115 WeakPolarHBondContact O-CB 3.02Å; P111-K115 PolarHBondContact O-N 2.93Å
112N92.9Very high93.1Very high95 Ų9558.1 Ų58.151%0.50828%0.282SS..Hα-helixtrans-69-36.5177-74.3-29.3000111.8A109 L110 K115 R116A109-N112 PolarHBondContact O-N 2.96Å; L110-N112 VanDerWaalsContact C-N 3.33Å; L110-N112 PolarHBondContact O-N 3.47Å; N112-K115 PolarHBondContact O-N 3.47Å; N112-R116 WeakPolarHBondContact O-CG 3.4Å; N112-R116 PolarHBondContact O-N 3.37Å; N112-R116 PolarHBondContact O-NH1 3.15Å
113F92.6Very high93Very high1 Ų164.3 Ų64.30%0.00432%0.315CS..Hα-helixtrans-59.9-49.1172.7170.5-91.8000111.6L5 E60 M61 A109 L110 K115 R116 I117L5-F113 HydrophobicContact CD2-CD1 4.09Å; L5-F113 HydrophobicContact CD2-CE1 4.17Å; E60-F113 HydrophobicContact CB-CD2 4.09Å; E60-F113 HydrophobicContact CB-CE2 3.56Å; E60-F113 HydrophobicContact CB-CZ 4.45Å; M61-F113 HydrophobicContact CE-CE1 3.51Å; M61-F113 HydrophobicContact CE-CE2 4.3Å; M61-F113 HydrophobicContact CE-CZ 3.17Å; M61-F113 HydrophobicContact CG-CE2 4.28Å; M61-F113 HydrophobicContact CG-CZ 3.9Å; M61-F113 HydrophobicContact SD-CE1 4.02Å; M61-F113 HydrophobicContact SD-CE2 3.88Å; M61-F113 HydrophobicContact SD-CZ 3.28Å; M61-F113 WeakPolarHBondContact SD-CZ 3.35Å; A109-F113 PolarHBondContact O-N 2.85Å; L110-F113 WeakPolarHBondContact O-CB 3.43Å; L110-F113 PolarHBondContact O-N 3.47Å; F113-K115 PolarHBondContact O-N 3.06Å; F113-R116 PolarHBondContact O-N 3.46Å; F113-I117 HydrophobicContact CD1-CD1 4.17Å; F113-I117 HydrophobicContact CD2-CD1 4.46Å; F113-I117 HydrophobicContact CE1-CD1 3.39Å; F113-I117 HydrophobicContact CE2-CD1 3.75Å; F113-I117 HydrophobicContact CZ-CD1 3.12Å; F113-I117 HydrophobicContact CZ-CG1 4.32Å; F113-I117 PolarHBondContact O-N 3.09Å
114R93.5Very high92.7Very high89 Ų8963 Ų6334%0.33630%0.303SS..Hα-helixtrans-57.2-48.7173.6177.5178.7-171-75-0.2111.3L5 D8 I9 L110 P111 R116 I117 V118L5-R114 HydrophobicContact CD1-CB 3.92Å; L5-R114 HydrophobicContact CD2-CB 4.17Å; L5-R114 HydrophobicContact CG-CB 4.13Å; L5-R114 HydrophobicContact CG-CG 4.46Å; D8-R114 IonicContact OD2-CZ 3.15Å; D8-R114 IonicContact OD2-NE 2.73Å; D8-R114 PolarHBondContact OD2-NE 3.39Å; D8-R114 VanDerWaalsContact OD2-NE 3.17Å; D8-R114 IonicContact OD2-NH2 2.76Å; D8-R114 PolarHBondContact OD2-NH2 3.23Å; I9-R114 HydrophobicContact CD1-CB 4.28Å; I9-R114 HydrophobicContact CD1-CG 4.01Å; I9-R114 HydrophobicContact CG1-CG 4.21Å; L110-R114 PolarHBondContact O-N 2.82Å; P111-R114 PolarHBondContact O-N 3.23Å; R114-R116 PolarHBondContact O-N 3.33Å; R114-I117 PolarHBondContact O-N 3.23Å; R114-V118 HydrophobicContact CG-CG2 4.16Å; R114-V118 WeakPolarHBondContact O-CG2 3.07Å; R114-V118 PolarHBondContact O-N 2.03Å
115K94.9Very high91.5Very high118 Ų11865.4 Ų65.451%0.51332%0.315SS..Hα-helixtrans-54.2-50.4-179.7-178.5177.5173.7178.90111.6P111 N112 F113 I117 V118 E119P111-K115 WeakPolarHBondContact O-CB 3.02Å; P111-K115 PolarHBondContact O-N 2.93Å; N112-K115 PolarHBondContact O-N 3.47Å; F113-K115 PolarHBondContact O-N 3.06Å; K115-I117 PolarHBondContact O-N 3.41Å; K115-V118 PolarHBondContact O-N 3.25Å; K115-E119 WeakPolarHBondContact CE-OE1 3.5Å; K115-E119 HydrophobicContact CG-CG 4.32Å; K115-E119 IonicContact NZ-OE1 2.6Å; K115-E119 WeakPolarHBondContact O-CB 3.32Å; K115-E119 VanDerWaalsContact O-CG 3.3Å; K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 3.41Å
116R95Very high91.5Very high93 Ų9366.3 Ų66.335%0.35132%0.319SS..Hα-helixtrans-60.8-42179.7-72.2-167.7-55.7-86.50.5113.1E60 N112 F113 R114 Y120E60-R116 IonicContact OE1-NE 3.17Å; E60-R116 IonicContact OE2-CZ 3.88Å; E60-R116 IonicContact OE2-NE 3.41Å; E60-R116 PolarHBondContact OE2-NE 3.41Å; E60-R116 IonicContact OE2-NH2 3.78Å; E60-R116 PolarHBondContact OE2-NH2 3.39Å; N112-R116 WeakPolarHBondContact O-CG 3.4Å; N112-R116 PolarHBondContact O-N 3.37Å; N112-R116 PolarHBondContact O-NH1 3.15Å; F113-R116 PolarHBondContact O-N 3.46Å; R114-R116 PolarHBondContact O-N 3.33Å; R116-Y120 WeakPolarHBondContact O-CB 3.46Å; R116-Y120 PolarHBondContact O-N 3.48Å
117I94.4Very high91.6Very high1 Ų169.1 Ų69.11%0.00533%0.33CS..Hα-helixtrans-64.5-48.9177.2-72.7176.8000111.3I9 Y56 I57 E60 F113 R114 K115 Y120 I121I9-I117 HydrophobicContact CD1-CD1 4.48Å; I9-I117 HydrophobicContact CD1-CG2 4.29Å; I9-I117 HydrophobicContact CG2-CG2 3.87Å; Y56-I117 HydrophobicContact CE1-CG1 4.42Å; I57-I117 HydrophobicContact CB-CD1 4.48Å; I57-I117 HydrophobicContact CD1-CG2 4.14Å; I57-I117 HydrophobicContact CG1-CD1 4.23Å; I57-I117 HydrophobicContact CG1-CG1 4.22Å; I57-I117 HydrophobicContact CG1-CG2 3.87Å; I57-I117 HydrophobicContact CG2-CD1 4.05Å; E60-I117 HydrophobicContact CB-CG1 4.45Å; F113-I117 HydrophobicContact CD1-CD1 4.17Å; F113-I117 HydrophobicContact CD2-CD1 4.46Å; F113-I117 HydrophobicContact CE1-CD1 3.39Å; F113-I117 HydrophobicContact CE2-CD1 3.75Å; F113-I117 HydrophobicContact CZ-CD1 3.12Å; F113-I117 HydrophobicContact CZ-CG1 4.32Å; F113-I117 PolarHBondContact O-N 3.09Å; R114-I117 PolarHBondContact O-N 3.23Å; K115-I117 PolarHBondContact O-N 3.41Å; I117-Y120 PolarHBondContact O-N 3.15Å; I117-I121 HydrophobicContact CG2-CD1 3.67Å; I117-I121 HydrophobicContact CG2-CG1 4.39Å; I117-I121 VanDerWaalsContact O-CG1 3.28Å; I117-I121 WeakPolarHBondContact O-CG1 3.06Å; I117-I121 PolarHBondContact O-N 3.37Å
118V94.9Very high91.6Very high13 Ų1368.9 Ų68.98%0.07933%0.328CS..Hα-helixtrans-61.7-48.5-178.91720000110.5R114 K115 Y120 I121 E122R114-V118 HydrophobicContact CG-CG2 4.16Å; R114-V118 WeakPolarHBondContact O-CG2 3.07Å; R114-V118 PolarHBondContact O-N 2.03Å; K115-V118 PolarHBondContact O-N 3.25Å; V118-Y120 VanDerWaalsContact C-N 3.29Å; V118-Y120 PolarHBondContact O-N 3.16Å; V118-I121 PolarHBondContact O-N 3.44Å; V118-I121 VanDerWaalsContact O-N 3.15Å; V118-E122 HydrophobicContact CG1-CG 4.25Å; V118-E122 WeakPolarHBondContact CG1-OE1 3.43Å; V118-E122 WeakPolarHBondContact O-CB 3.4Å; V118-E122 WeakPolarHBondContact O-CG 3.38Å; V118-E122 PolarHBondContact O-N 2.86Å
119E95.5Very high91.6Very high82 Ų8263.2 Ų63.238%0.38331%0.31SS..Hα-helixtrans-58-41.3176.6-74.3174.3164.900111.9K115 N123K115-E119 WeakPolarHBondContact CE-OE1 3.5Å; K115-E119 HydrophobicContact CG-CG 4.32Å; K115-E119 IonicContact NZ-OE1 2.6Å; K115-E119 WeakPolarHBondContact O-CB 3.32Å; K115-E119 VanDerWaalsContact O-CG 3.3Å; K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 3.41Å; E119-N123 VanDerWaalsContact O-CB 3.28Å; E119-N123 WeakPolarHBondContact O-CB 3.29Å; E119-N123 PolarHBondContact O-N 2.98Å; E119-N123 PolarHBondContact O-ND2 3.29Å
120Y95.7Very high91.6Very high75 Ų7566.3 Ų66.329%0.29432%0.323SS..Hα-helixtrans-66.1-40.8177.7-171.9-92.5000112.4I53 Y56 R116 I117 V118 S124I53-Y120 HydrophobicContact CG1-CD1 4.15Å; I53-Y120 HydrophobicContact CG1-CE1 3.93Å; Y56-Y120 VanDerWaalsContact CB-CE1 3.43Å; Y56-Y120 AromaticContact CD1-CD1 3.54Å; Y56-Y120 HydrophobicContact CD1-CD1 3.54Å; Y56-Y120 HydrophobicContact CD1-CD2 4.04Å; Y56-Y120 HydrophobicContact CD1-CE1 4.17Å; Y56-Y120 AromaticContact CD1-CG 3.46Å; Y56-Y120 HydrophobicContact CD1-CG 3.46Å; Y56-Y120 VanDerWaalsContact CD1-CG 3.46Å; Y56-Y120 HydrophobicContact CD2-CD1 4.17Å; Y56-Y120 AromaticContact CD2-CD2 3.54Å; Y56-Y120 HydrophobicContact CD2-CD2 3.54Å; Y56-Y120 HydrophobicContact CD2-CE1 4.19Å; Y56-Y120 AromaticContact CD2-CE2 3.55Å; Y56-Y120 HydrophobicContact CD2-CE2 3.55Å; Y56-Y120 AromaticContact CD2-CG 3.85Å; Y56-Y120 HydrophobicContact CD2-CG 3.85Å; Y56-Y120 AromaticContact CD2-CZ 3.87Å; Y56-Y120 VanDerWaalsContact CE1-CB 3.41Å; Y56-Y120 HydrophobicContact CE1-CD1 4.2Å; Y56-Y120 HydrophobicContact CE1-CD2 4.09Å; Y56-Y120 AromaticContact CE1-CG 3.64Å; Y56-Y120 HydrophobicContact CE1-CG 3.64Å; Y56-Y120 AromaticContact CE2-CD2 3.58Å; Y56-Y120 HydrophobicContact CE2-CD2 3.58Å; Y56-Y120 AromaticContact CE2-CE2 3.97Å; Y56-Y120 HydrophobicContact CE2-CE2 3.97Å; Y56-Y120 HydrophobicContact CE2-CG 4.01Å; Y56-Y120 AromaticContact CG-CD1 3.53Å; Y56-Y120 HydrophobicContact CG-CD1 3.53Å; Y56-Y120 AromaticContact CG-CD2 3.77Å; Y56-Y120 HydrophobicContact CG-CD2 3.77Å; Y56-Y120 AromaticContact CG-CE1 3.67Å; Y56-Y120 HydrophobicContact CG-CE1 3.67Å; Y56-Y120 AromaticContact CG-CE2 3.9Å; Y56-Y120 HydrophobicContact CG-CE2 3.9Å; Y56-Y120 AromaticContact CG-CG 3.57Å; Y56-Y120 HydrophobicContact CG-CG 3.57Å; Y56-Y120 AromaticContact CG-CZ 3.83Å; Y56-Y120 AromaticContact CZ-CD2 3.86Å; Y56-Y120 AromaticContact CZ-CG 3.9Å; R116-Y120 WeakPolarHBondContact O-CB 3.46Å; R116-Y120 PolarHBondContact O-N 3.48Å; I117-Y120 PolarHBondContact O-N 3.15Å; V118-Y120 VanDerWaalsContact C-N 3.29Å; V118-Y120 PolarHBondContact O-N 3.16Å; Y120-S124 WeakPolarHBondContact O-CB 3.3Å; Y120-S124 PolarHBondContact O-N 3.41Å; Y120-S124 PolarHBondContact O-OG 2.82Å
121I93.8Very high91.6Very high4 Ų470.4 Ų70.42%0.02134%0.343CS..Hα-helixtrans-66.9-43.9177.4-64.9167.4000110.8H13 I53 I57 I117 V118 S124 N125H13-I121 HydrophobicContact CB-CD1 3.71Å; H13-I121 HydrophobicContact CB-CG2 4.19Å; I53-I121 HydrophobicContact CD1-CG2 4.48Å; I53-I121 HydrophobicContact CG2-CD1 4.32Å; I53-I121 HydrophobicContact CG2-CG1 3.71Å; I57-I121 HydrophobicContact CD1-CD1 4.27Å; I117-I121 HydrophobicContact CG2-CD1 3.67Å; I117-I121 HydrophobicContact CG2-CG1 4.39Å; I117-I121 VanDerWaalsContact O-CG1 3.28Å; I117-I121 WeakPolarHBondContact O-CG1 3.06Å; I117-I121 PolarHBondContact O-N 3.37Å; V118-I121 PolarHBondContact O-N 3.44Å; V118-I121 VanDerWaalsContact O-N 3.15Å; I121-S124 WeakPolarHBondContact O-CB 3.49Å; I121-S124 PolarHBondContact O-N 2.92Å; I121-N125 PolarHBondContact O-ND2 2.93Å
122E91.7Very high91.5Very high109 Ų10970 Ų7051%0.50933%0.332SS..Hα-helixtrans-67-40.8-178.4-72.2176.217200111.8H13 V118 S124 N125H13-E122 IonicContact CE1-OE1 3.66Å; V118-E122 HydrophobicContact CG1-CG 4.25Å; V118-E122 WeakPolarHBondContact CG1-OE1 3.43Å; V118-E122 WeakPolarHBondContact O-CB 3.4Å; V118-E122 WeakPolarHBondContact O-CG 3.38Å; V118-E122 PolarHBondContact O-N 2.86Å; E122-S124 PolarHBondContact O-N 3.02Å; E122-N125 PolarHBondContact O-N 2.58Å
123N92.4Very high91.4Very high138 Ų13868.1 Ų68.174%0.73832%0.318SS*.THydrogen-bonded Turntrans-74.4-5.5175.9-67.5-37.1000114E119E119-N123 VanDerWaalsContact O-CB 3.28Å; E119-N123 WeakPolarHBondContact O-CB 3.29Å; E119-N123 PolarHBondContact O-N 2.98Å; E119-N123 PolarHBondContact O-ND2 3.29Å
124S85.7Confident91.3Very high24 Ų2473.7 Ų73.717%0.16835%0.345CS..THydrogen-bonded Turntrans-100.9-7.2-178.8-80.60000113.9Q49 Y120 I121 E122Q49-S124 WeakPolarHBondContact CG-O 3.3Å; Q49-S124 PolarHBondContact NE2-OG 3.29Å; Q49-S124 VanDerWaalsContact NE2-OG 3.13Å; Y120-S124 WeakPolarHBondContact O-CB 3.3Å; Y120-S124 PolarHBondContact O-N 3.41Å; Y120-S124 PolarHBondContact O-OG 2.82Å; I121-S124 WeakPolarHBondContact O-CB 3.49Å; I121-S124 PolarHBondContact O-N 2.92Å; E122-S124 PolarHBondContact O-N 3.02Å
125N68.3Low91.1Very high138 Ų13872.3 Ų72.374%0.73835%0.345SS*.  trans-91.30175.2-76-80.4000111.1K20 I121 E122K20-N125 PolarHBondContact NZ-OD1 3.25Å; I121-N125 PolarHBondContact O-ND2 2.93Å; E122-N125 PolarHBondContact O-N 2.58Å

Retrieved 125 of 125 residues in 64.1 ms (Link to these results)

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