A0A087YGN3_POEFO Loading...

Survival of motor neuron-related-splicing factor 30

Involved in spliceosome assembly.

AlphaFold DB , UniProt , Accession A0A087YGN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 238 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
1M58.2Low86Confident178 Ų17885.1 Ų85.188%0.87745%0.453SS*.  0-74.40-71.1-73.2-157.300110.3D4 L5M1-D4 PolarHBondContact N-OD2 2.92Å; M1-L5 PolarHBondContact O-N 2.97Å
2S73.8Confident86.8Confident56 Ų5683.1 Ų83.139%0.39244%0.436SS..Hα-helixtrans-63.2-46.8177.148.90000112.7D4 L5 V6S2-D4 VanDerWaalsContact C-N 3.32Å; S2-D4 PolarHBondContact O-N 3.08Å; S2-L5 PolarHBondContact O-N 3.48Å; S2-V6 WeakPolarHBondContact O-CG2 3.4Å; S2-V6 PolarHBondContact O-N 3.12Å
3E83.6Confident87.5Confident142 Ų14284.9 Ų84.966%0.66444%0.438SS*.Hα-helixtrans-62.4-36.6-179.7-61.9-173.2139.900113.3K7E3-K7 WeakPolarHBondContact O-CG 3.46Å; E3-K7 PolarHBondContact O-N 2.71Å
4D88.1Confident88Confident89 Ų8982.9 Ų82.948%0.47644%0.44SS..Hα-helixtrans-67.4-41.9176.8-58.4-62.3000111M1 S2 K7 Q8M1-D4 PolarHBondContact N-OD2 2.92Å; S2-D4 VanDerWaalsContact C-N 3.32Å; S2-D4 PolarHBondContact O-N 3.08Å; D4-K7 WeakPolarHBondContact O-CB 3.39Å; D4-K7 PolarHBondContact O-N 2.82Å; D4-Q8 WeakPolarHBondContact O-CG 3.35Å; D4-Q8 PolarHBondContact O-N 3.07Å
5L88.6Confident88.4Confident29 Ų2983.4 Ų83.415%0.15244%0.439CS..Hα-helixtrans-68.2-36.2179.7-163.662.9000111.6M1 S2 Q8 L9 T46 L49 L50M1-L5 PolarHBondContact O-N 2.97Å; S2-L5 PolarHBondContact O-N 3.48Å; L5-Q8 PolarHBondContact O-N 2.99Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 PolarHBondContact O-N 3.21Å; L5-T46 HydrophobicContact CD1-CG2 3.63Å; L5-T46 HydrophobicContact CG-CG2 3.72Å; L5-L49 HydrophobicContact CD2-CB 3.85Å; L5-L50 HydrophobicContact CB-CD2 4.06Å; L5-L50 HydrophobicContact CB-CG 4.32Å; L5-L50 HydrophobicContact CD2-CD1 4.49Å; L5-L50 HydrophobicContact CD2-CD2 3.99Å; L5-L50 HydrophobicContact CD2-CG 3.65Å; L5-L50 HydrophobicContact CG-CD1 4.24Å; L5-L50 HydrophobicContact CG-CD2 4.19Å; L5-L50 HydrophobicContact CG-CG 3.9Å
6V90.4Very high88.8Confident81 Ų8179.3 Ų79.349%0.49142%0.417SS..Hα-helixtrans-63.8-43.7171.4173.20000111.5S2 L9 S10 L50S2-V6 WeakPolarHBondContact O-CG2 3.4Å; S2-V6 PolarHBondContact O-N 3.12Å; V6-L9 WeakPolarHBondContact O-CB 3.46Å; V6-L9 PolarHBondContact O-N 3.22Å; V6-S10 PolarHBondContact O-N 2.83Å; V6-L50 HydrophobicContact CG2-CD1 4.13Å; V6-L50 HydrophobicContact CG2-CD2 3.71Å
7K90.6Very high89.2Confident132 Ų13282.1 Ų82.157%0.57443%0.428SS*.Hα-helixtrans-61.7-45175.1-73.8170.9-174.5169.90111E3 D4 L9 S10 S11E3-K7 WeakPolarHBondContact O-CG 3.46Å; E3-K7 PolarHBondContact O-N 2.71Å; D4-K7 WeakPolarHBondContact O-CB 3.39Å; D4-K7 PolarHBondContact O-N 2.82Å; K7-L9 PolarHBondContact O-N 3.25Å; K7-S10 PolarHBondContact O-N 2.83Å; K7-S10 PolarHBondContact O-OG 2.99Å; K7-S11 PolarHBondContact O-N 3.33Å
8Q90.1Very high89.3Confident88 Ų8885.8 Ų85.841%0.41144%0.442SS..Hα-helixtrans-60.6-45.5176-73.3179.8-55.600111.7D4 L5 S10 S11 Y12D4-Q8 WeakPolarHBondContact O-CG 3.35Å; D4-Q8 PolarHBondContact O-N 3.07Å; L5-Q8 PolarHBondContact O-N 2.99Å; Q8-S10 VanDerWaalsContact C-N 3.31Å; Q8-S10 PolarHBondContact O-N 3.21Å; Q8-S11 WeakPolarHBondContact O-CB 3.34Å; Q8-S11 PolarHBondContact O-N 3.36Å; Q8-S11 PolarHBondContact O-OG 2.93Å; Q8-Y12 HydrophobicContact CB-CD2 4.44Å; Q8-Y12 HydrophobicContact CB-CE2 3.9Å; Q8-Y12 WeakPolarHBondContact O-CD2 3.34Å; Q8-Y12 PolarHBondContact O-N 3.37Å
9L93.6Very high89.5Confident19 Ų1982.1 Ų82.110%0.09942%0.424CS..Hα-helixtrans-55.6-46.5175-157-168.4000111.2L5 V6 K7 S11 Y12 K13 I43 T46 K47 L50L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 PolarHBondContact O-N 3.21Å; V6-L9 WeakPolarHBondContact O-CB 3.46Å; V6-L9 PolarHBondContact O-N 3.22Å; K7-L9 PolarHBondContact O-N 3.25Å; L9-S11 VanDerWaalsContact C-N 3.27Å; L9-S11 PolarHBondContact O-N 2.84Å; L9-Y12 PolarHBondContact O-N 2.95Å; L9-K13 HydrophobicContact CD2-CD 3.53Å; L9-K13 HydrophobicContact CD2-CG 3.71Å; L9-K13 PolarHBondContact O-N 2.86Å; L9-I43 HydrophobicContact CD2-CG2 4.04Å; L9-T46 HydrophobicContact CB-CG2 3.94Å; L9-T46 HydrophobicContact CG-CG2 4.09Å; L9-K47 HydrophobicContact CD1-CG 4.04Å; L9-L50 HydrophobicContact CD1-CD1 3.73Å
10S94.3Very high89.7Confident73 Ų7382.2 Ų82.251%0.5142%0.422SS..Hα-helixtrans-60.7-37.7177.778.30000112.4V6 K7 Q8 A14V6-S10 PolarHBondContact O-N 2.83Å; K7-S10 PolarHBondContact O-N 2.83Å; K7-S10 PolarHBondContact O-OG 2.99Å; Q8-S10 VanDerWaalsContact C-N 3.31Å; Q8-S10 PolarHBondContact O-N 3.21Å; S10-A14 PolarHBondContact O-N 3.14Å; S10-A14 VanDerWaalsContact O-N 3.14Å
11S95.2Very high89.9Confident49 Ų4982.3 Ų82.334%0.34343%0.427SS..Hα-helixtrans-69.4-42.7177.975.60000112.5K7 Q8 L9 K13 A14 Q15K7-S11 PolarHBondContact O-N 3.33Å; Q8-S11 WeakPolarHBondContact O-CB 3.34Å; Q8-S11 PolarHBondContact O-N 3.36Å; Q8-S11 PolarHBondContact O-OG 2.93Å; L9-S11 VanDerWaalsContact C-N 3.27Å; L9-S11 PolarHBondContact O-N 2.84Å; S11-K13 PolarHBondContact O-N 2.66Å; S11-A14 PolarHBondContact O-N 3.15Å; S11-Q15 WeakPolarHBondContact O-CG 3.5Å; S11-Q15 PolarHBondContact O-N 3.06Å
12Y95.6Very high91.4Very high61 Ų6175.6 Ų75.624%0.23940%0.399CS..Hα-helixtrans-66.2-38.1177.2-62.2-48.5000111.8Q8 L9 A14 Q15 L16 L39 V42Q8-Y12 HydrophobicContact CB-CD2 4.44Å; Q8-Y12 HydrophobicContact CB-CE2 3.9Å; Q8-Y12 WeakPolarHBondContact O-CD2 3.34Å; Q8-Y12 PolarHBondContact O-N 3.37Å; L9-Y12 PolarHBondContact O-N 2.95Å; Y12-A14 VanDerWaalsContact C-N 3.34Å; Y12-A14 PolarHBondContact O-N 2.65Å; Y12-Q15 PolarHBondContact O-N 3.05Å; Y12-L16 WeakPolarHBondContact O-CB 3.2Å; Y12-L16 PolarHBondContact O-N 2.67Å; Y12-L39 HydrophobicContact CD1-CD2 4.35Å; Y12-V42 HydrophobicContact CD1-CG1 4.43Å; Y12-V42 HydrophobicContact CD2-CG1 3.82Å; Y12-V42 HydrophobicContact CE1-CG1 4.36Å; Y12-V42 HydrophobicContact CE2-CG1 3.72Å; Y12-V42 HydrophobicContact CG-CG1 4.19Å
13K94.9Very high92.2Very high107 Ų10773.6 Ų73.647%0.46538%0.384SS..Hα-helixtrans-60.1-42.7172.4-81179.1170.6167.60112.5L9 S11 L16 Q17 I43L9-K13 HydrophobicContact CD2-CD 3.53Å; L9-K13 HydrophobicContact CD2-CG 3.71Å; L9-K13 PolarHBondContact O-N 2.86Å; S11-K13 PolarHBondContact O-N 2.66Å; K13-L16 PolarHBondContact O-N 3.35Å; K13-Q17 PolarHBondContact O-N 3.24Å; K13-I43 HydrophobicContact CG-CD1 4.1Å
14A95.4Very high92.5Very high56 Ų5671.4 Ų71.446%0.46338%0.384SS..Hα-helixtrans-65-40.2177.100000111.9S10 S11 Y12 Q17 Q18S10-A14 PolarHBondContact O-N 3.14Å; S10-A14 VanDerWaalsContact O-N 3.14Å; S11-A14 PolarHBondContact O-N 3.15Å; Y12-A14 VanDerWaalsContact C-N 3.34Å; Y12-A14 PolarHBondContact O-N 2.65Å; A14-Q17 PolarHBondContact O-N 3Å; A14-Q18 PolarHBondContact O-N 3.5Å; A14-Q18 VanDerWaalsContact O-N 3.11Å
15Q93.5Very high92.6Very high91 Ų9171.9 Ų71.943%0.42539%0.391SS..Hα-helixtrans-63.9-43.8174.5-70.1172.60.600111.9S11 Y12 Q17 Q18 V19 L39S11-Q15 WeakPolarHBondContact O-CG 3.5Å; S11-Q15 PolarHBondContact O-N 3.06Å; Y12-Q15 PolarHBondContact O-N 3.05Å; Q15-Q17 VanDerWaalsContact C-N 3.32Å; Q15-Q17 PolarHBondContact O-N 2.94Å; Q15-Q18 PolarHBondContact O-N 3.35Å; Q15-Q18 VanDerWaalsContact O-N 3.14Å; Q15-V19 WeakPolarHBondContact O-CG2 3.49Å; Q15-V19 PolarHBondContact O-N 2.99Å; Q15-L39 HydrophobicContact CB-CD1 4.12Å
16L95.2Very high92.6Very high18 Ų1875.1 Ų75.19%0.09441%0.408CS..Hα-helixtrans-57.7-46.6176.4-173.1105.6000110.9Y12 K13 Q18 V19 E20 Q36 L39 Q40 I43Y12-L16 WeakPolarHBondContact O-CB 3.2Å; Y12-L16 PolarHBondContact O-N 2.67Å; K13-L16 PolarHBondContact O-N 3.35Å; L16-Q18 VanDerWaalsContact C-N 3.28Å; L16-Q18 PolarHBondContact O-N 2.88Å; L16-V19 WeakPolarHBondContact O-CB 3.24Å; L16-V19 PolarHBondContact O-N 3.49Å; L16-V19 VanDerWaalsContact O-N 3.13Å; L16-E20 WeakPolarHBondContact CD2-OE1 3.48Å; L16-E20 WeakPolarHBondContact O-CG 3.11Å; L16-E20 PolarHBondContact O-N 2.8Å; L16-Q36 HydrophobicContact CD1-CG 4.34Å; L16-L39 HydrophobicContact CD1-CB 3.78Å; L16-Q40 HydrophobicContact CD1-CB 4.38Å; L16-Q40 VanDerWaalsContact CD1-OE1 3.23Å; L16-I43 HydrophobicContact CB-CD1 4.2Å; L16-I43 HydrophobicContact CD1-CD1 4.31Å
17Q94.8Very high92.5Very high127 Ų12775 Ų7559%0.59341%0.409SS*.Hα-helixtrans-60.1-39.6177.3-171.9-179.8-0.500111.9K13 A14 Q15 V19 E20 V21K13-Q17 PolarHBondContact O-N 3.24Å; A14-Q17 PolarHBondContact O-N 3Å; Q15-Q17 VanDerWaalsContact C-N 3.32Å; Q15-Q17 PolarHBondContact O-N 2.94Å; Q17-V19 VanDerWaalsContact C-N 3.34Å; Q17-E20 PolarHBondContact O-N 2.88Å; Q17-V21 VanDerWaalsContact O-CG2 3.31Å; Q17-V21 WeakPolarHBondContact O-CG2 3.39Å; Q17-V21 PolarHBondContact O-N 3.4Å
18Q92.3Very high92.5Very high149 Ų14975.9 Ų75.970%0.69642%0.42SS*.Hα-helixtrans-66.2-37.7177-170.1164.114.700112.1A14 Q15 L16 V21 A22A14-Q18 PolarHBondContact O-N 3.5Å; A14-Q18 VanDerWaalsContact O-N 3.11Å; Q15-Q18 PolarHBondContact O-N 3.35Å; Q15-Q18 VanDerWaalsContact O-N 3.14Å; L16-Q18 VanDerWaalsContact C-N 3.28Å; L16-Q18 PolarHBondContact O-N 2.88Å; Q18-V21 PolarHBondContact O-N 2.97Å; Q18-A22 PolarHBondContact O-N 3.41Å
19V93.2Very high92.4Very high14 Ų1474.5 Ų74.59%0.08542%0.416CS..Hα-helixtrans-66.9-40.6173.9173.30000111.2Q15 L16 Q17 A22 L23 L32 L35 Q36 L39Q15-V19 WeakPolarHBondContact O-CG2 3.49Å; Q15-V19 PolarHBondContact O-N 2.99Å; L16-V19 WeakPolarHBondContact O-CB 3.24Å; L16-V19 PolarHBondContact O-N 3.49Å; L16-V19 VanDerWaalsContact O-N 3.13Å; Q17-V19 VanDerWaalsContact C-N 3.34Å; V19-A22 WeakPolarHBondContact O-CB 3.45Å; V19-A22 PolarHBondContact O-N 3.45Å; V19-L23 HydrophobicContact CG1-CD1 4.03Å; V19-L23 HydrophobicContact CG1-CG 4.47Å; V19-L23 WeakPolarHBondContact O-CB 3.1Å; V19-L23 WeakPolarHBondContact O-CG 3.47Å; V19-L23 PolarHBondContact O-N 3.21Å; V19-L32 HydrophobicContact CG1-CB 4.39Å; V19-L32 HydrophobicContact CG1-CD2 4.24Å; V19-L32 WeakPolarHBondContact CG1-O 3.36Å; V19-L35 HydrophobicContact CG2-CD2 3.7Å; V19-L35 HydrophobicContact CG2-CG 4.1Å; V19-Q36 HydrophobicContact CG1-CB 4.03Å; V19-L39 HydrophobicContact CG2-CD1 4.09Å
20E91.8Very high92.3Very high84 Ų8481.4 Ų81.439%0.39345%0.447SS..Hα-helixtrans-63.8-39.5175.4-73.9178.4166.100112.4L16 Q17 L23 S24L16-E20 WeakPolarHBondContact CD2-OE1 3.48Å; L16-E20 WeakPolarHBondContact O-CG 3.11Å; L16-E20 PolarHBondContact O-N 2.8Å; Q17-E20 PolarHBondContact O-N 2.88Å; E20-L23 PolarHBondContact O-N 3.24Å; E20-S24 PolarHBondContact O-N 2.81Å
21V94.1Very high92Very high85 Ų8584 Ų8452%0.51546%0.456SS..Hα-helixtrans-63.7-42.7173171.60000110.6Q17 Q18 S24 T25Q17-V21 VanDerWaalsContact O-CG2 3.31Å; Q17-V21 WeakPolarHBondContact O-CG2 3.39Å; Q17-V21 PolarHBondContact O-N 3.4Å; Q18-V21 PolarHBondContact O-N 2.97Å; V21-S24 PolarHBondContact O-N 2.98Å; V21-S24 PolarHBondContact O-OG 3.06Å; V21-T25 PolarHBondContact O-N 3.17Å; V21-T25 PolarHBondContact O-OG1 2.63Å
22A90.3Very high91.8Very high37 Ų3783.3 Ų83.331%0.30645%0.448SS..Hα-helixtrans-63.1-41.5175.200000111.9Q18 V19 S24 T25 D26 L32Q18-A22 PolarHBondContact O-N 3.41Å; V19-A22 WeakPolarHBondContact O-CB 3.45Å; V19-A22 PolarHBondContact O-N 3.45Å; A22-S24 VanDerWaalsContact C-N 3.3Å; A22-S24 PolarHBondContact O-N 2.87Å; A22-T25 WeakPolarHBondContact O-CB 3.4Å; A22-T25 PolarHBondContact O-N 3.42Å; A22-T25 VanDerWaalsContact O-N 3.09Å; A22-D26 PolarHBondContact O-N 2.81Å; A22-L32 HydrophobicContact CB-CD1 3.78Å; A22-L32 HydrophobicContact CB-CD2 4.44Å
23L90.2Very high91.6Very high15 Ų1583.6 Ų83.68%0.07945%0.453CS..Hα-helixtrans-65.8-29174.4-77.5169.2000113.2V19 E20 T25 D26 P27 L32 L33 Q36V19-L23 HydrophobicContact CG1-CD1 4.03Å; V19-L23 HydrophobicContact CG1-CG 4.47Å; V19-L23 WeakPolarHBondContact O-CB 3.1Å; V19-L23 WeakPolarHBondContact O-CG 3.47Å; V19-L23 PolarHBondContact O-N 3.21Å; E20-L23 PolarHBondContact O-N 3.24Å; L23-T25 PolarHBondContact O-N 2.97Å; L23-D26 CarbonylContact O-C 3.51Å; L23-P27 WeakPolarHBondContact O-CA 3.46Å; L23-P27 VanDerWaalsContact O-N 3.12Å; L23-L32 HydrophobicContact CD1-CB 4.38Å; L23-L32 HydrophobicContact CD2-CB 3.46Å; L23-L32 VanDerWaalsContact CD2-CB 3.46Å; L23-L32 HydrophobicContact CD2-CD1 4.34Å; L23-L32 HydrophobicContact CG-CB 3.77Å; L23-L32 HydrophobicContact CG-CD1 4.44Å; L23-L33 HydrophobicContact CD1-CD2 4.11Å; L23-L33 HydrophobicContact CD2-CD2 3.82Å; L23-L33 HydrophobicContact CD2-CG 3.84Å; L23-Q36 HydrophobicContact CD1-CB 4.02Å; L23-Q36 HydrophobicContact CD1-CG 4.3Å
24S89.5Confident91.5Very high95 Ų9584.7 Ų84.766%0.66446%0.458SS*.Hα-helixtrans-68.3-24.3173.277.40000112.7E20 V21 A22E20-S24 PolarHBondContact O-N 2.81Å; V21-S24 PolarHBondContact O-N 2.98Å; V21-S24 PolarHBondContact O-OG 3.06Å; A22-S24 VanDerWaalsContact C-N 3.3Å; A22-S24 PolarHBondContact O-N 2.87Å
25T91.1Very high91.4Very high100 Ų10085.7 Ų85.761%0.61346%0.455SS*.Hα-helixtrans-87.6-44.3175.7-50.60000110.7V21 A22 L23V21-T25 PolarHBondContact O-N 3.17Å; V21-T25 PolarHBondContact O-OG1 2.63Å; A22-T25 WeakPolarHBondContact O-CB 3.4Å; A22-T25 PolarHBondContact O-N 3.42Å; A22-T25 VanDerWaalsContact O-N 3.09Å; L23-T25 PolarHBondContact O-N 2.97Å
26D89.8Confident91.4Very high96 Ų9683.9 Ų83.951%0.51345%0.447SS..  trans-12881.5-178.4-63.8-38.9000111.1A22 L23 D28 N29A22-D26 PolarHBondContact O-N 2.81Å; L23-D26 CarbonylContact O-C 3.51Å; D26-D28 VanDerWaalsContact C-N 3.3Å; D26-D28 PolarHBondContact O-N 2.9Å; D26-N29 HydrophobicContact CB-CB 4.49Å; D26-N29 PolarHBondContact O-N 3.14Å
27P87.8Confident91.4Very high79 Ų7989.7 Ų89.751%0.51347%0.471SS..THydrogen-bonded Turntrans-70.5-21.2-172.825.9-34.4000114.5L23 N29L23-P27 WeakPolarHBondContact O-CA 3.46Å; L23-P27 VanDerWaalsContact O-N 3.12Å; P27-N29 VanDerWaalsContact C-N 3.32Å
28D89.4Confident91.3Very high151 Ų15187 Ų8781%0.80746%0.461SS*.THydrogen-bonded Turntrans-89.14.8-177.2-62.6-35000113.3D26 E30D26-D28 VanDerWaalsContact C-N 3.3Å; D26-D28 PolarHBondContact O-N 2.9Å; D28-E30 PolarHBondContact O-N 2.82Å; D28-E30 VanDerWaalsContact O-N 3.11Å
29N89.3Confident91.4Very high59 Ų5980.7 Ų80.732%0.31643%0.432SS..  trans-77.2100.1-179.9-171.2-19.6000111.3D26 P27 D31 L32 L33D26-N29 HydrophobicContact CB-CB 4.49Å; D26-N29 PolarHBondContact O-N 3.14Å; P27-N29 VanDerWaalsContact C-N 3.32Å; N29-D31 VanDerWaalsContact C-N 3.26Å; N29-D31 PolarHBondContact O-N 3.48Å; N29-D31 PolarHBondContact OD1-N 2.84Å; N29-D31 VanDerWaalsContact OD1-N 3.16Å; N29-L32 HydrophobicContact CB-CB 4.19Å; N29-L32 HydrophobicContact CB-CD1 3.94Å; N29-L32 HydrophobicContact CB-CG 4.17Å; N29-L32 WeakPolarHBondContact ND2-CD1 3.39Å; N29-L32 PolarHBondContact O-N 2.74Å; N29-L32 VanDerWaalsContact O-N 3.16Å; N29-L32 PolarHBondContact OD1-N 2.83Å; N29-L33 PolarHBondContact O-N 2.55Å; N29-L33 VanDerWaalsContact O-N 3.11Å
30E90.9Very high91.4Very high163 Ų16384.2 Ų84.276%0.76245%0.448SS*.Hα-helixtrans-57.5-34.9-178.8-61.4-168.6147.800113.4D28 L33 K34D28-E30 PolarHBondContact O-N 2.82Å; D28-E30 VanDerWaalsContact O-N 3.11Å; E30-L33 PolarHBondContact O-N 2.81Å; E30-K34 WeakPolarHBondContact O-CB 3.45Å; E30-K34 PolarHBondContact O-N 3.34Å
31D88.9Confident91.6Very high129 Ų12986.1 Ų86.169%0.6946%0.456SS*.Hα-helixtrans-68-39.2179.5-71.2-46.6000111.5N29 K34 L35N29-D31 VanDerWaalsContact C-N 3.26Å; N29-D31 PolarHBondContact O-N 3.48Å; N29-D31 PolarHBondContact OD1-N 2.84Å; N29-D31 VanDerWaalsContact OD1-N 3.16Å; D31-K34 PolarHBondContact O-N 3.14Å; D31-L35 WeakPolarHBondContact O-CB 3.5Å; D31-L35 PolarHBondContact O-N 3.11Å
32L90.7Very high91.6Very high34 Ų3484.7 Ų84.718%0.17845%0.447CS..Hα-helixtrans-70.7-37.4176.7-71177.1000111.7V19 A22 L23 N29 K34 L35 Q36V19-L32 HydrophobicContact CG1-CB 4.39Å; V19-L32 HydrophobicContact CG1-CD2 4.24Å; V19-L32 WeakPolarHBondContact CG1-O 3.36Å; A22-L32 HydrophobicContact CB-CD1 3.78Å; A22-L32 HydrophobicContact CB-CD2 4.44Å; L23-L32 HydrophobicContact CD1-CB 4.38Å; L23-L32 HydrophobicContact CD2-CB 3.46Å; L23-L32 VanDerWaalsContact CD2-CB 3.46Å; L23-L32 HydrophobicContact CD2-CD1 4.34Å; L23-L32 HydrophobicContact CG-CB 3.77Å; L23-L32 HydrophobicContact CG-CD1 4.44Å; N29-L32 HydrophobicContact CB-CB 4.19Å; N29-L32 HydrophobicContact CB-CD1 3.94Å; N29-L32 HydrophobicContact CB-CG 4.17Å; N29-L32 WeakPolarHBondContact ND2-CD1 3.39Å; N29-L32 PolarHBondContact O-N 2.74Å; N29-L32 VanDerWaalsContact O-N 3.16Å; N29-L32 PolarHBondContact OD1-N 2.83Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 2.85Å; L32-L35 PolarHBondContact O-N 2.95Å; L32-Q36 WeakPolarHBondContact O-CB 3.37Å; L32-Q36 PolarHBondContact O-N 3.3Å
33L90.3Very high91.8Very high66 Ų6683.1 Ų83.135%0.34643%0.434SS..Hα-helixtrans-64.5-38.2174.6-71.4171.5000111.8L23 N29 E30 K37L23-L33 HydrophobicContact CD1-CD2 4.11Å; L23-L33 HydrophobicContact CD2-CD2 3.82Å; L23-L33 HydrophobicContact CD2-CG 3.84Å; N29-L33 PolarHBondContact O-N 2.55Å; N29-L33 VanDerWaalsContact O-N 3.11Å; E30-L33 PolarHBondContact O-N 2.81Å; L33-K37 PolarHBondContact O-N 3.04Å
34K93.2Very high92Very high131 Ų13185.6 Ų85.657%0.5745%0.447SS*.Hα-helixtrans-67-47.5174.1-171.2-174.8174.4-162.60111E30 D31 L32 Q36 K37 D38E30-K34 WeakPolarHBondContact O-CB 3.45Å; E30-K34 PolarHBondContact O-N 3.34Å; D31-K34 PolarHBondContact O-N 3.14Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 2.85Å; K34-Q36 VanDerWaalsContact C-N 3.29Å; K34-Q36 PolarHBondContact O-N 3.43Å; K34-K37 PolarHBondContact O-N 3.4Å; K34-K37 VanDerWaalsContact O-N 3.16Å; K34-D38 VanDerWaalsContact O-CG 3.32Å; K34-D38 PolarHBondContact O-N 3.02Å
35L92.9Very high92.1Very high77 Ų7786.3 Ų86.340%0.40344%0.443SS..Hα-helixtrans-61-37.9177.9-178.659.9000112.3V19 D31 L32 D38 L39V19-L35 HydrophobicContact CG2-CD2 3.7Å; V19-L35 HydrophobicContact CG2-CG 4.1Å; D31-L35 WeakPolarHBondContact O-CB 3.5Å; D31-L35 PolarHBondContact O-N 3.11Å; L32-L35 PolarHBondContact O-N 2.95Å; L35-D38 PolarHBondContact O-N 3.3Å; L35-L39 HydrophobicContact CD1-CD1 4.19Å; L35-L39 HydrophobicContact CD1-CG 4.15Å; L35-L39 HydrophobicContact CG-CD1 4.07Å; L35-L39 HydrophobicContact CG-CG 4.47Å; L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 WeakPolarHBondContact O-CG 3.36Å; L35-L39 PolarHBondContact O-N 3.34Å
36Q93Very high92Very high52 Ų5282.1 Ų82.124%0.24342%0.417CS..Hα-helixtrans-59.1-48.3174.1-174-171.525.700111.3L16 V19 L23 L32 K34 L39 Q40L16-Q36 HydrophobicContact CD1-CG 4.34Å; V19-Q36 HydrophobicContact CG1-CB 4.03Å; L23-Q36 HydrophobicContact CD1-CB 4.02Å; L23-Q36 HydrophobicContact CD1-CG 4.3Å; L32-Q36 WeakPolarHBondContact O-CB 3.37Å; L32-Q36 PolarHBondContact O-N 3.3Å; K34-Q36 VanDerWaalsContact C-N 3.29Å; K34-Q36 PolarHBondContact O-N 3.43Å; Q36-L39 PolarHBondContact O-N 3.43Å; Q36-Q40 WeakPolarHBondContact O-CB 3.46Å; Q36-Q40 PolarHBondContact O-N 3.49Å
37K95.9Very high92.1Very high140 Ų14081.5 Ų81.561%0.60941%0.41SS*.Hα-helixtrans-63.2-48.2177.6-73.3174.2-177.7160.30111.9L33 K34 L39 Q40 E41L33-K37 PolarHBondContact O-N 3.04Å; K34-K37 PolarHBondContact O-N 3.4Å; K34-K37 VanDerWaalsContact O-N 3.16Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 2.88Å; K37-Q40 WeakPolarHBondContact O-CB 3.47Å; K37-Q40 PolarHBondContact O-N 2.77Å; K37-Q40 VanDerWaalsContact O-N 3.13Å; K37-E41 PolarHBondContact O-N 2.87Å
38D93.8Very high92.2Very high71 Ų7182.8 Ų82.838%0.3841%0.413SS..Hα-helixtrans-59.4-42.8179.9-67.2-7.7000110.8K34 L35 E41 V42K34-D38 VanDerWaalsContact O-CG 3.32Å; K34-D38 PolarHBondContact O-N 3.02Å; L35-D38 PolarHBondContact O-N 3.3Å; D38-E41 PolarHBondContact O-N 2.88Å; D38-V42 WeakPolarHBondContact O-CG2 3.26Å; D38-V42 PolarHBondContact O-N 3.48Å; D38-V42 VanDerWaalsContact O-N 3.08Å
39L93.6Very high92.1Very high16 Ų1680.3 Ų80.38%0.08440%0.399CS..Hα-helixtrans-66.1-38.4175.5-78.1173.2000112.7Y12 Q15 L16 V19 L35 Q36 K37 V42 I43Y12-L39 HydrophobicContact CD1-CD2 4.35Å; Q15-L39 HydrophobicContact CB-CD1 4.12Å; L16-L39 HydrophobicContact CD1-CB 3.78Å; V19-L39 HydrophobicContact CG2-CD1 4.09Å; L35-L39 HydrophobicContact CD1-CD1 4.19Å; L35-L39 HydrophobicContact CD1-CG 4.15Å; L35-L39 HydrophobicContact CG-CD1 4.07Å; L35-L39 HydrophobicContact CG-CG 4.47Å; L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 WeakPolarHBondContact O-CG 3.36Å; L35-L39 PolarHBondContact O-N 3.34Å; Q36-L39 PolarHBondContact O-N 3.43Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 2.88Å; L39-V42 PolarHBondContact O-N 3.48Å; L39-I43 WeakPolarHBondContact O-CB 3.4Å; L39-I43 WeakPolarHBondContact O-CD1 3.49Å; L39-I43 VanDerWaalsContact O-CG1 3.25Å; L39-I43 WeakPolarHBondContact O-CG1 3.31Å; L39-I43 PolarHBondContact O-N 3.24Å
40Q93.1Very high91.9Very high89 Ų8979.6 Ų79.642%0.41640%0.395SS..Hα-helixtrans-60.9-46.4175.8-160.488.7-24.200110.9L16 Q36 K37 V42 I43 D44L16-Q40 HydrophobicContact CD1-CB 4.38Å; L16-Q40 VanDerWaalsContact CD1-OE1 3.23Å; Q36-Q40 WeakPolarHBondContact O-CB 3.46Å; Q36-Q40 PolarHBondContact O-N 3.49Å; K37-Q40 WeakPolarHBondContact O-CB 3.47Å; K37-Q40 PolarHBondContact O-N 2.77Å; K37-Q40 VanDerWaalsContact O-N 3.13Å; Q40-V42 PolarHBondContact O-N 2.79Å; Q40-I43 PolarHBondContact O-N 2.66Å; Q40-D44 PolarHBondContact O-N 3.41Å
41E95.5Very high91.6Very high124 Ų12476.8 Ų76.858%0.57939%0.393SS*.Hα-helixtrans-61.2-44177-71.3-178.3-169.200111.8K37 D38 I43 D44 L45K37-E41 PolarHBondContact O-N 2.87Å; D38-E41 PolarHBondContact O-N 2.88Å; E41-I43 VanDerWaalsContact C-N 3.33Å; E41-I43 PolarHBondContact O-N 3.29Å; E41-D44 PolarHBondContact O-N 3.31Å; E41-L45 WeakPolarHBondContact O-CB 3.03Å; E41-L45 WeakPolarHBondContact O-CG 3.28Å; E41-L45 PolarHBondContact O-N 3.17Å
42V94.3Very high91.1Very high54 Ų5474.5 Ų74.533%0.32739%0.387SS..Hα-helixtrans-61.5-42.4176.6170.80000111.2Y12 D38 L39 Q40 D44 T46Y12-V42 HydrophobicContact CD1-CG1 4.43Å; Y12-V42 HydrophobicContact CD2-CG1 3.82Å; Y12-V42 HydrophobicContact CE1-CG1 4.36Å; Y12-V42 HydrophobicContact CE2-CG1 3.72Å; Y12-V42 HydrophobicContact CG-CG1 4.19Å; D38-V42 WeakPolarHBondContact O-CG2 3.26Å; D38-V42 PolarHBondContact O-N 3.48Å; D38-V42 VanDerWaalsContact O-N 3.08Å; L39-V42 PolarHBondContact O-N 3.48Å; Q40-V42 PolarHBondContact O-N 2.79Å; V42-D44 VanDerWaalsContact C-N 3.34Å; V42-D44 PolarHBondContact O-N 2.95Å; V42-T46 VanDerWaalsContact O-CB 3.25Å; V42-T46 WeakPolarHBondContact O-CB 3.49Å; V42-T46 PolarHBondContact O-N 2.63Å; V42-T46 PolarHBondContact O-OG1 2.81Å
43I94.6Very high89.8Confident4 Ų476.4 Ų76.42%0.02140%0.395CS..Hα-helixtrans-62.1-43.8177.5-73.1165.9000110.6L9 K13 L16 L39 Q40 E41 T46 K47L9-I43 HydrophobicContact CD2-CG2 4.04Å; K13-I43 HydrophobicContact CG-CD1 4.1Å; L16-I43 HydrophobicContact CB-CD1 4.2Å; L16-I43 HydrophobicContact CD1-CD1 4.31Å; L39-I43 WeakPolarHBondContact O-CB 3.4Å; L39-I43 WeakPolarHBondContact O-CD1 3.49Å; L39-I43 VanDerWaalsContact O-CG1 3.25Å; L39-I43 WeakPolarHBondContact O-CG1 3.31Å; L39-I43 PolarHBondContact O-N 3.24Å; Q40-I43 PolarHBondContact O-N 2.66Å; E41-I43 VanDerWaalsContact C-N 3.33Å; E41-I43 PolarHBondContact O-N 3.29Å; I43-T46 WeakPolarHBondContact O-CB 3.33Å; I43-T46 PolarHBondContact O-N 2.86Å; I43-K47 HydrophobicContact CG2-CD 4.26Å; I43-K47 HydrophobicContact CG2-CG 4.48Å; I43-K47 WeakPolarHBondContact O-CG 3.41Å; I43-K47 PolarHBondContact O-N 2.87Å
44D93.6Very high88.1Confident68 Ų6879.2 Ų79.236%0.36442%0.418SS..Hα-helixtrans-70.5-42.5-177.4-70.4-20.1000111.9Q40 E41 V42 T46 K47 D48Q40-D44 PolarHBondContact O-N 3.41Å; E41-D44 PolarHBondContact O-N 3.31Å; V42-D44 VanDerWaalsContact C-N 3.34Å; V42-D44 PolarHBondContact O-N 2.95Å; D44-T46 VanDerWaalsContact C-N 3.25Å; D44-T46 PolarHBondContact O-N 2.81Å; D44-K47 WeakPolarHBondContact O-CB 3.48Å; D44-K47 PolarHBondContact O-N 3.47Å; D44-K47 IonicContact OD1-NZ 2.63Å; D44-K47 PolarHBondContact OD1-NZ 2.8Å; D44-D48 PolarHBondContact O-N 2.83Å
45L92.5Very high85.9Confident110 Ų11078.5 Ų78.558%0.57642%0.424SS*.Hα-helixtrans-58.8-39.2170.7-69.3173.2000111.9E41 D48 L49E41-L45 WeakPolarHBondContact O-CB 3.03Å; E41-L45 WeakPolarHBondContact O-CG 3.28Å; E41-L45 PolarHBondContact O-N 3.17Å; L45-D48 PolarHBondContact O-N 3.26Å; L45-L49 WeakPolarHBondContact O-CB 3.46Å; L45-L49 VanDerWaalsContact O-CG 3.27Å; L45-L49 WeakPolarHBondContact O-CG 3.25Å; L45-L49 PolarHBondContact O-N 2.92Å
46T90.1Very high83.9Confident11 Ų1183.2 Ų83.27%0.06745%0.45CS..Hα-helixtrans-67.3-40177.8-590000111.5L5 L9 V42 I43 D44 L49 L50L5-T46 HydrophobicContact CD1-CG2 3.63Å; L5-T46 HydrophobicContact CG-CG2 3.72Å; L9-T46 HydrophobicContact CB-CG2 3.94Å; L9-T46 HydrophobicContact CG-CG2 4.09Å; V42-T46 VanDerWaalsContact O-CB 3.25Å; V42-T46 WeakPolarHBondContact O-CB 3.49Å; V42-T46 PolarHBondContact O-N 2.63Å; V42-T46 PolarHBondContact O-OG1 2.81Å; I43-T46 WeakPolarHBondContact O-CB 3.33Å; I43-T46 PolarHBondContact O-N 2.86Å; D44-T46 VanDerWaalsContact C-N 3.25Å; D44-T46 PolarHBondContact O-N 2.81Å; T46-L49 PolarHBondContact O-N 3.42Å; T46-L50 HydrophobicContact CG2-CD1 4.37Å; T46-L50 WeakPolarHBondContact O-CG 3.27Å; T46-L50 PolarHBondContact O-N 2.87Å
47K90.2Very high81.8Confident83 Ų8383.6 Ų83.636%0.36147%0.468SS..Hα-helixtrans-64.3-42.9173.6-72.4171.2-167152.60111.3L9 I43 D44 L49 L50 S51L9-K47 HydrophobicContact CD1-CG 4.04Å; I43-K47 HydrophobicContact CG2-CD 4.26Å; I43-K47 HydrophobicContact CG2-CG 4.48Å; I43-K47 WeakPolarHBondContact O-CG 3.41Å; I43-K47 PolarHBondContact O-N 2.87Å; D44-K47 WeakPolarHBondContact O-CB 3.48Å; D44-K47 PolarHBondContact O-N 3.47Å; D44-K47 IonicContact OD1-NZ 2.63Å; D44-K47 PolarHBondContact OD1-NZ 2.8Å; K47-L49 VanDerWaalsContact C-N 3.35Å; K47-L50 WeakPolarHBondContact O-CB 3.47Å; K47-L50 PolarHBondContact O-N 3.43Å; K47-S51 WeakPolarHBondContact O-CB 3.43Å; K47-S51 PolarHBondContact O-N 3.48Å
48D90.1Very high79.2Confident107 Ų10782.4 Ų82.457%0.57248%0.477SS*.Hα-helixtrans-64.9-40.5178.1-78.1-4.7000111.2D44 L45 L50 S51 S52D44-D48 PolarHBondContact O-N 2.83Å; L45-D48 PolarHBondContact O-N 3.26Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.35Å; D48-S51 PolarHBondContact O-N 2.8Å; D48-S52 VanDerWaalsContact O-CB 3.23Å; D48-S52 WeakPolarHBondContact O-CB 3.25Å; D48-S52 PolarHBondContact O-N 3.37Å; D48-S52 PolarHBondContact O-OG 2.87Å
49L87.4Confident76.9Confident99 Ų9984 Ų8452%0.51849%0.493SS..Hα-helixtrans-63.8-37.4173.2-74.2171.4000112.5L5 L45 T46 K47 S52 Q53L5-L49 HydrophobicContact CD2-CB 3.85Å; L45-L49 WeakPolarHBondContact O-CB 3.46Å; L45-L49 VanDerWaalsContact O-CG 3.27Å; L45-L49 WeakPolarHBondContact O-CG 3.25Å; L45-L49 PolarHBondContact O-N 2.92Å; T46-L49 PolarHBondContact O-N 3.42Å; K47-L49 VanDerWaalsContact C-N 3.35Å; L49-S52 WeakPolarHBondContact CA-OG 3.23Å; L49-S52 PolarHBondContact O-OG 2.87Å; L49-Q53 WeakPolarHBondContact O-CG 3.38Å; L49-Q53 PolarHBondContact O-N 3.34Å; L49-Q53 VanDerWaalsContact O-N 3.17Å
50L85.6Confident74.4Confident44 Ų4488.4 Ų88.423%0.2353%0.525CS..Hα-helixtrans-67.6-39.3172.4-80.6161.8000112.2L5 V6 L9 T46 K47 D48L5-L50 HydrophobicContact CB-CD2 4.06Å; L5-L50 HydrophobicContact CB-CG 4.32Å; L5-L50 HydrophobicContact CD2-CD1 4.49Å; L5-L50 HydrophobicContact CD2-CD2 3.99Å; L5-L50 HydrophobicContact CD2-CG 3.65Å; L5-L50 HydrophobicContact CG-CD1 4.24Å; L5-L50 HydrophobicContact CG-CD2 4.19Å; L5-L50 HydrophobicContact CG-CG 3.9Å; V6-L50 HydrophobicContact CG2-CD1 4.13Å; V6-L50 HydrophobicContact CG2-CD2 3.71Å; L9-L50 HydrophobicContact CD1-CD1 3.73Å; T46-L50 HydrophobicContact CG2-CD1 4.37Å; T46-L50 WeakPolarHBondContact O-CG 3.27Å; T46-L50 PolarHBondContact O-N 2.87Å; K47-L50 WeakPolarHBondContact O-CB 3.47Å; K47-L50 PolarHBondContact O-N 3.43Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.35Å
51S84.8Confident71.9Confident103 Ų10390.6 Ų90.672%0.7255%0.545SS*.Hα-helixtrans-76.1-25.3180-170.90000113.3K47 D48K47-S51 WeakPolarHBondContact O-CB 3.43Å; K47-S51 PolarHBondContact O-N 3.48Å; D48-S51 PolarHBondContact O-N 2.8Å
52S77.6Confident69.3Low82 Ų8290.7 Ų90.757%0.57356%0.56SS**Hα-helixtrans-93.5-6.4178.755.90000112.9D48 L49 P54D48-S52 VanDerWaalsContact O-CB 3.23Å; D48-S52 WeakPolarHBondContact O-CB 3.25Å; D48-S52 PolarHBondContact O-N 3.37Å; D48-S52 PolarHBondContact O-OG 2.87Å; L49-S52 WeakPolarHBondContact CA-OG 3.23Å; L49-S52 PolarHBondContact O-OG 2.87Å; S52-P54 WeakPolarHBondContact O-CD 3.42Å
53Q64.3Low66.4Low74 Ų7491.9 Ų91.935%0.34658%0.582SS.*SBendtrans-63.4125.4163-77.8-143.7-44.500108.6L49 V55L49-Q53 WeakPolarHBondContact O-CG 3.38Å; L49-Q53 PolarHBondContact O-N 3.34Å; L49-Q53 VanDerWaalsContact O-N 3.17Å; Q53-V55 VanDerWaalsContact C-N 3.31Å; Q53-V55 PolarHBondContact O-N 3.33Å
54P54Low63.5Low125 Ų12597.7 Ų97.781%0.81262%0.623SS**  trans-68.895.2173.428.7-31.9000107.9S52S52-P54 WeakPolarHBondContact O-CD 3.42Å
55V46.8Very low61Low116 Ų116104.1 Ų104.170%0.70365%0.651SS**  trans-78.8118.7149.8-67.70000106Q53 G57Q53-V55 VanDerWaalsContact C-N 3.31Å; Q53-V55 PolarHBondContact O-N 3.33Å; V55-G57 PolarHBondContact O-N 2.63Å
56D51.3Low58.3Low176 Ų176103.9 Ų103.994%0.94166%0.659SS**SBendtrans-48.3110.5157.6-78-64.2000107.9
57G49.3Very low55.6Low60 Ų60109.1 Ų109.162%0.61969%0.69SS**SBendtrans124.395171.200000116.6V55V55-G57 PolarHBondContact O-N 2.63Å
58S40.9Very low53.3Low115 Ų115110.9 Ų110.980%0.80471%0.711SS**  trans74.8101139.5-142.80000121
59S45.1Very low51.1Low103 Ų103110.8 Ų110.872%0.7271%0.714SS**  55.3115.5125.3-51.20000122
60S42.2Very low49.4Very low109 Ų109116 Ų11676%0.76273%0.732SS**  172.5103.1111.829.80000110.1
61T39.5Very low48.5Very low135 Ų135119.5 Ų119.583%0.82875%0.745SS**  68.4105.987.2640000117.3
62S42.2Very low48.2Very low127 Ų127119.7 Ų119.789%0.88875%0.747SS**  trans-174.9130.5132.659.20000107.9
63G33.3Very low48.8Very low78 Ų78117.3 Ų117.380%0.80473%0.725SS**  cis176.9122.2-1.300000106.6
64S33.5Very low49.9Very low126 Ų126119.7 Ų119.788%0.88174%0.735SS**  trans-148.5129.8145.562.80000107.9S66S64-S66 PolarHBondContact O-N 3.36Å
65E39.9Very low51.7Low203 Ų203117.9 Ų117.995%0.94972%0.721SS**  trans-77.8111.1-159.9-163.2158.911200110.8
66S35.9Very low53.6Low105 Ų105114.2 Ų114.273%0.73471%0.707SS**  trans-150.7124.4137.155.10000108.2S64S64-S66 PolarHBondContact O-N 3.36Å
67V33.5Very low55.5Low121 Ų121107.8 Ų107.873%0.73367%0.671SS**  trans-31.7125.5174.5-92.10000112.4V69V67-V69 PolarHBondContact O-N 3.22Å
68P42.8Very low57.5Low121 Ų121110 Ų11079%0.78666%0.661SS**  trans-73.288.5172.230.7-30.8000106.7K70P68-K70 VanDerWaalsContact C-N 3.34Å; P68-K70 PolarHBondContact O-N 3.34Å
69V42.9Very low59.9Low105 Ų105104.5 Ų104.564%0.63662%0.622SS**  trans-56.6109.8160.3-179.40000104.1V67 K71V67-V69 PolarHBondContact O-N 3.22Å; V69-K71 HydrophobicContact CG1-CD 4.37Å; V69-K71 PolarHBondContact O-N 2.87Å
70K53Low62.2Low207 Ų207102 Ų10290%0.960%0.6SS**  trans-60.681.4170.4-66.6179.5-178.9-179.50106.8P68 S72P68-K70 VanDerWaalsContact C-N 3.34Å; P68-K70 PolarHBondContact O-N 3.34Å; K70-S72 PolarHBondContact O-N 3.03Å; K70-S72 VanDerWaalsContact O-N 3.15Å
71K65.2Low64.5Low118 Ų11896.8 Ų96.851%0.51356%0.564SS.*  trans-70.4113.7-179.2-155.380.1176.2-168.40105.1V69 W73V69-K71 HydrophobicContact CG1-CD 4.37Å; V69-K71 PolarHBondContact O-N 2.87Å; K71-W73 VanDerWaalsContact C-N 3.29Å; K71-W73 PolarHBondContact O-N 3.22Å
72S80.1Confident67Low107 Ų10792.7 Ų92.775%0.74854%0.539SS*.  trans-7389.7173.652.10000108K70K70-S72 PolarHBondContact O-N 3.03Å; K70-S72 VanDerWaalsContact O-N 3.15Å
73W88.3Confident69.3Low33 Ų3389.5 Ų89.513%0.12551%0.508CS..  trans-61139.8176.8-65.5110.7000111.1K71 E77 C79 I94 I97 L119 L122 K123 A124K71-W73 VanDerWaalsContact C-N 3.29Å; K71-W73 PolarHBondContact O-N 3.22Å; W73-E77 WeakPolarHBondContact CA-OE2 3.46Å; W73-E77 HydrophobicContact CE3-CB 4.42Å; W73-C79 HydrophobicContact CE3-CB 4.42Å; W73-C79 HydrophobicContact CH2-CB 3.71Å; W73-C79 HydrophobicContact CZ3-CB 3.63Å; W73-I94 HydrophobicContact CB-CD1 3.86Å; W73-I94 HydrophobicContact CD2-CD1 3.87Å; W73-I94 HydrophobicContact CE3-CD1 3.46Å; W73-I94 VanDerWaalsContact CE3-CD1 3.46Å; W73-I94 HydrophobicContact CG-CD1 4.08Å; W73-I94 HydrophobicContact CZ3-CD1 4.2Å; W73-I97 VanDerWaalsContact C-CD1 3.44Å; W73-I97 HydrophobicContact CB-CD1 3.89Å; W73-I97 WeakPolarHBondContact O-CD1 3.45Å; W73-L119 HydrophobicContact CB-CD2 4.16Å; W73-L119 HydrophobicContact CG-CD2 4.16Å; W73-L122 HydrophobicContact CD2-CD1 4.4Å; W73-L122 HydrophobicContact CH2-CB 4.3Å; W73-L122 HydrophobicContact CZ2-CB 3.6Å; W73-K123 WeakPolarHBondContact CH2-O 3.48Å; W73-A124 HydrophobicContact CH2-CB 4.47Å
74K88.8Confident71.8Confident124 Ų12490.2 Ų90.254%0.53950%0.5SS..  trans-121.7154.6170.263.5173.3-172.8-78.50111.3G76 E77 I97K74-G76 PolarHBondContact O-N 3.48Å; K74-E77 HydrophobicContact CD-CG 4.2Å; K74-E77 HydrophobicContact CG-CB 4.32Å; K74-E77 HydrophobicContact CG-CG 3.46Å; K74-E77 VanDerWaalsContact CG-CG 3.46Å; K74-E77 WeakPolarHBondContact CG-OE1 3.34Å; K74-E77 PolarHBondContact N-OE2 2.98Å; K74-E77 IonicContact NZ-OE1 2.71Å; K74-E77 PolarHBondContact NZ-OE1 3.13Å; K74-E77 WeakPolarHBondContact O-CB 3.35Å; K74-E77 PolarHBondContact O-N 2.82Å; K74-E77 VanDerWaalsContact O-N 3.14Å; K74-I97 VanDerWaalsContact C-CD1 3.48Å
75V91.7Very high74.1Confident87 Ų8791.3 Ų91.353%0.52749%0.491SS..THydrogen-bonded Turntrans-58.7136.1170.8175.90000109.4E95 I97V75-E95 WeakPolarHBondContact CG1-O 3.4Å; V75-I97 HydrophobicContact CG2-CD1 4.37Å; V75-I97 HydrophobicContact CG2-CG1 4.09Å
76G87.3Confident76.4Confident39 Ų3984.5 Ų84.540%0.40246%0.461SS..THydrogen-bonded Turntrans83.13.1-174.200000114.9K74 I94K74-G76 PolarHBondContact O-N 3.48Å; G76-I94 PolarHBondContact N-O 2.85Å
77E89.9Confident78.7Confident40 Ų4082 Ų8219%0.18745%0.451CS..  trans-77.7142.9171.3-90.1176.6170.200112.3W73 K74 I94W73-E77 WeakPolarHBondContact CA-OE2 3.46Å; W73-E77 HydrophobicContact CE3-CB 4.42Å; K74-E77 HydrophobicContact CD-CG 4.2Å; K74-E77 HydrophobicContact CG-CB 4.32Å; K74-E77 HydrophobicContact CG-CG 3.46Å; K74-E77 VanDerWaalsContact CG-CG 3.46Å; K74-E77 WeakPolarHBondContact CG-OE1 3.34Å; K74-E77 PolarHBondContact N-OE2 2.98Å; K74-E77 IonicContact NZ-OE1 2.71Å; K74-E77 PolarHBondContact NZ-OE1 3.13Å; K74-E77 WeakPolarHBondContact O-CB 3.35Å; K74-E77 PolarHBondContact O-N 2.82Å; K74-E77 VanDerWaalsContact O-N 3.14Å; E77-I94 HydrophobicContact CB-CD1 4.2Å; E77-I94 WeakPolarHBondContact O-CG1 3.39Å; E77-I94 PolarHBondContact O-N 2.93Å
78R92.1Very high81.3Confident107 Ų10781.5 Ų81.540%0.40444%0.441SS..EExtended strand (participates in β ladder)trans-81.9131.7170.5-62.3-171.4-63.6172.27.6109.9A92 V125 E127R78-A92 WeakPolarHBondContact CA-O 3.4Å; R78-V125 HydrophobicContact CB-CG2 4.18Å; R78-E127 IonicContact CZ-OE1 3.42Å; R78-E127 IonicContact NH2-OE1 3.23Å; R78-E127 PolarHBondContact NH2-OE1 3.26Å
79C91.4Very high83.5Confident0 Ų078.6 Ų78.60%042%0.421CS..EExtended strand (participates in β ladder)trans-136.7163.8-177.965.50000110.2W73 A92 I94 L122W73-C79 HydrophobicContact CE3-CB 4.42Å; W73-C79 HydrophobicContact CH2-CB 3.71Å; W73-C79 HydrophobicContact CZ3-CB 3.63Å; C79-A92 PolarHBondContact N-O 3.26Å; C79-A92 PolarHBondContact O-N 3.5Å; C79-A92 PolarHBondContact SG-O 3.44Å; C79-I94 HydrophobicContact CB-CD1 4.39Å; C79-I94 HydrophobicContact CB-CG1 4.34Å; C79-L122 HydrophobicContact CB-CD2 4.49Å
80L91.8Very high85.8Confident50 Ų5075.2 Ų75.226%0.26240%0.397SS..EExtended strand (participates in β ladder)trans-104119.2170.3-79.4175.5000107.3V89 Y90 E91 K123 V125L80-V89 HydrophobicContact CB-CG1 3.62Å; L80-V89 HydrophobicContact CD2-CG1 4.24Å; L80-V89 HydrophobicContact CG-CG1 4.38Å; L80-Y90 CarbonylContact C-O 3.6Å; L80-Y90 WeakPolarHBondContact CA-O 3.49Å; L80-E91 HydrophobicContact CD2-CG 3.75Å; L80-K123 HydrophobicContact CB-CB 3.87Å; L80-K123 PolarHBondContact N-O 3.33Å; L80-K123 PolarHBondContact O-N 3.38Å; L80-V125 HydrophobicContact CG-CG2 3.96Å
81A92.3Very high87.7Confident0 Ų070.2 Ų70.20%038%0.377CS..EExtended strand (participates in β ladder)trans-123.9144.7-173.800000111V89 Y90 A92 V106 F108 I117 L122A81-V89 CarbonylContact O-C 3.36Å; A81-V89 WeakPolarHBondContact O-CA 3.39Å; A81-Y90 PolarHBondContact N-O 2.98Å; A81-Y90 PolarHBondContact O-N 2.98Å; A81-A92 HydrophobicContact CB-CB 4.07Å; A81-V106 HydrophobicContact CB-CG2 3.86Å; A81-F108 HydrophobicContact CB-CE1 4.07Å; A81-F108 HydrophobicContact CB-CZ 4.38Å; A81-I117 HydrophobicContact CB-CD1 3.6Å; A81-L122 HydrophobicContact CB-CD2 3.69Å
82T91.2Very high89Confident49 Ų4964.7 Ų64.730%0.30135%0.353SS..EExtended strand (participates in β ladder)trans-85.7122-179.1-51.80000109.3G87 Q88 I117T82-G87 WeakPolarHBondContact CG2-O 3.24Å; T82-Q88 CarbonylContact C-O 3.53Å; T82-Q88 WeakPolarHBondContact CA-O 3.48Å; T82-I117 WeakPolarHBondContact O-CD1 3.36Å
83W89.8Confident89.7Confident60 Ų6064.1 Ų64.123%0.22734%0.339CS..  trans-78.7130179.1-170.537000110.7H85 G87 Q88 Y90 F108 E115W83-H85 HydrophobicContact CD2-CB 3.85Å; W83-H85 HydrophobicContact CE3-CB 4.06Å; W83-H85 HydrophobicContact CG-CB 4.48Å; W83-H85 HydrophobicContact CH2-CB 4Å; W83-H85 HydrophobicContact CZ2-CB 3.77Å; W83-H85 HydrophobicContact CZ3-CB 4.14Å; W83-H85 PolarHBondContact O-N 3.48Å; W83-G87 VanDerWaalsContact O-CA 3.29Å; W83-G87 WeakPolarHBondContact O-CA 3.39Å; W83-G87 PolarHBondContact O-N 3.25Å; W83-Q88 PolarHBondContact N-O 3.44Å; W83-Y90 HydrophobicContact CB-CD2 3.7Å; W83-Y90 HydrophobicContact CB-CE2 3.87Å; W83-Y90 HydrophobicContact CD2-CE2 4.43Å; W83-Y90 AromaticContact CE3-CE2 3.83Å; W83-Y90 HydrophobicContact CE3-CE2 3.83Å; W83-Y90 HydrophobicContact CG-CD2 4.49Å; W83-Y90 HydrophobicContact CG-CE2 4.5Å; W83-F108 HydrophobicContact CB-CE1 4.31Å; W83-F108 HydrophobicContact CB-CZ 3.97Å; W83-F108 AromaticContact CD1-CE2 3.7Å; W83-F108 AromaticContact CD1-CZ 3.92Å; W83-F108 HydrophobicContact CG-CE2 4.4Å; W83-F108 HydrophobicContact CG-CZ 4.25Å; W83-E115 VanDerWaalsContact CD1-OE2 3.24Å
84S86.3Confident90Very high92 Ų9262.6 Ų62.664%0.64333%0.333SS*.THydrogen-bonded Turntrans-67.6-21.6-174.655.60000114.5E115S84-E115 WeakPolarHBondContact CB-OE1 3.35Å; S84-E115 PolarHBondContact OG-OE1 3.38Å
85H82.4Confident90.2Very high149 Ų14962.4 Ų62.469%0.6933%0.334SS*.THydrogen-bonded Turntrans-72.7-35-176.5-174.1-86.2000113.1W83W83-H85 HydrophobicContact CD2-CB 3.85Å; W83-H85 HydrophobicContact CE3-CB 4.06Å; W83-H85 HydrophobicContact CG-CB 4.48Å; W83-H85 HydrophobicContact CH2-CB 4Å; W83-H85 HydrophobicContact CZ2-CB 3.77Å; W83-H85 HydrophobicContact CZ3-CB 4.14Å; W83-H85 PolarHBondContact O-N 3.48Å
86D87.4Confident90.1Very high61 Ų6164.5 Ų64.533%0.32634%0.338SS..THydrogen-bonded Turntrans-132.6-4.4-17566.5-1.4000114.6Q88 Y90D86-Q88 HydrophobicContact CB-CG 4.47Å; D86-Q88 PolarHBondContact O-N 3.13Å; D86-Q88 PolarHBondContact OD1-N 2.98Å; D86-Y90 PolarHBondContact OD2-OH 2.98Å
87G85.4Confident90.4Very high51 Ų5164 Ų6453%0.52633%0.326SS..  trans69.313.3-178.800000113.8T82 W83T82-G87 WeakPolarHBondContact CG2-O 3.24Å; W83-G87 VanDerWaalsContact O-CA 3.29Å; W83-G87 WeakPolarHBondContact O-CA 3.39Å; W83-G87 PolarHBondContact O-N 3.25Å
88Q86.8Confident90.5Very high111 Ų11164.8 Ų64.852%0.51933%0.331SS..  trans-88.6154.8177.6-64.2-175.320.500111.2T82 W83 D86 Y90T82-Q88 CarbonylContact C-O 3.53Å; T82-Q88 WeakPolarHBondContact CA-O 3.48Å; W83-Q88 PolarHBondContact N-O 3.44Å; D86-Q88 HydrophobicContact CB-CG 4.47Å; D86-Q88 PolarHBondContact O-N 3.13Å; D86-Q88 PolarHBondContact OD1-N 2.98Å; Q88-Y90 HydrophobicContact CB-CD2 4.35Å; Q88-Y90 HydrophobicContact CB-CE2 3.56Å; Q88-Y90 WeakPolarHBondContact O-CD2 2.94Å; Q88-Y90 PolarHBondContact OE1-OH 3.39Å; Q88-Y90 VanDerWaalsContact OE1-OH 3.11Å
89V89.1Confident90.2Very high60 Ų6069.8 Ų69.836%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-96.3125.2-178.6-172.50000109.4L80 A81L80-V89 HydrophobicContact CB-CG1 3.62Å; L80-V89 HydrophobicContact CD2-CG1 4.24Å; L80-V89 HydrophobicContact CG-CG1 4.38Å; A81-V89 CarbonylContact O-C 3.36Å; A81-V89 WeakPolarHBondContact O-CA 3.39Å
90Y91.1Very high89.8Confident35 Ų3578.3 Ų78.314%0.13739%0.39CS..EExtended strand (participates in β ladder)trans-123.8158.1-179.9-65.3-83.3000111.2L80 A81 W83 D86 Q88 Y111L80-Y90 CarbonylContact C-O 3.6Å; L80-Y90 WeakPolarHBondContact CA-O 3.49Å; A81-Y90 PolarHBondContact N-O 2.98Å; A81-Y90 PolarHBondContact O-N 2.98Å; W83-Y90 HydrophobicContact CB-CD2 3.7Å; W83-Y90 HydrophobicContact CB-CE2 3.87Å; W83-Y90 HydrophobicContact CD2-CE2 4.43Å; W83-Y90 AromaticContact CE3-CE2 3.83Å; W83-Y90 HydrophobicContact CE3-CE2 3.83Å; W83-Y90 HydrophobicContact CG-CD2 4.49Å; W83-Y90 HydrophobicContact CG-CE2 4.5Å; D86-Y90 PolarHBondContact OD2-OH 2.98Å; Q88-Y90 HydrophobicContact CB-CD2 4.35Å; Q88-Y90 HydrophobicContact CB-CE2 3.56Å; Q88-Y90 WeakPolarHBondContact O-CD2 2.94Å; Q88-Y90 PolarHBondContact OE1-OH 3.39Å; Q88-Y90 VanDerWaalsContact OE1-OH 3.11Å; Y90-Y111 HydrophobicContact CD1-CE2 4.2Å; Y90-Y111 HydrophobicContact CE1-CE2 4.22Å
91E92.7Very high89.3Confident102 Ų10281.4 Ų81.448%0.47741%0.407SS..EExtended strand (participates in β ladder)trans-69.3131.1171.1-69.3-175.7-170.400110.5L80 T109L80-E91 HydrophobicContact CD2-CG 3.75Å; E91-T109 PolarHBondContact O-N 3.49Å; E91-T109 PolarHBondContact O-OG1 2.92Å
92A93.7Very high89.1Confident1 Ų182.9 Ų82.91%0.00842%0.422CS..EExtended strand (participates in β ladder)trans-140.8157.3178.800000110.8R78 C79 A81 V106 T107 F108R78-A92 WeakPolarHBondContact CA-O 3.4Å; C79-A92 PolarHBondContact N-O 3.26Å; C79-A92 PolarHBondContact O-N 3.5Å; C79-A92 PolarHBondContact SG-O 3.44Å; A81-A92 HydrophobicContact CB-CB 4.07Å; A92-V106 HydrophobicContact CB-CB 3.9Å; A92-V106 HydrophobicContact CB-CG2 3.9Å; A92-T107 CarbonylContact C-O 3.51Å; A92-T107 VanDerWaalsContact CA-O 3.24Å; A92-T107 WeakPolarHBondContact CA-O 3.34Å; A92-F108 HydrophobicContact CB-CD1 3.96Å; A92-F108 HydrophobicContact CB-CE1 4.31Å; A92-F108 HydrophobicContact CB-CG 4.48Å
93E94.5Very high89.1Confident96 Ų9682.2 Ų82.245%0.44942%0.417SS..EExtended strand (participates in β ladder)trans-111134.2173.5-173.4173.3169.400109.5E95 V106 T107E93-E95 PolarHBondContact O-N 3.08Å; E93-V106 CarbonylContact O-C 3.59Å; E93-V106 VanDerWaalsContact O-CA 3.26Å; E93-V106 WeakPolarHBondContact O-CA 3.49Å; E93-T107 PolarHBondContact N-O 3.09Å; E93-T107 PolarHBondContact O-N 3.41Å
94I93.9Very high89.3Confident1 Ų179.3 Ų79.31%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-74.5114.9179.7-58.9177.1000109.1W73 G76 E77 C79 I97 A104 V106 L122W73-I94 HydrophobicContact CB-CD1 3.86Å; W73-I94 HydrophobicContact CD2-CD1 3.87Å; W73-I94 HydrophobicContact CE3-CD1 3.46Å; W73-I94 VanDerWaalsContact CE3-CD1 3.46Å; W73-I94 HydrophobicContact CG-CD1 4.08Å; W73-I94 HydrophobicContact CZ3-CD1 4.2Å; G76-I94 PolarHBondContact N-O 2.85Å; E77-I94 HydrophobicContact CB-CD1 4.2Å; E77-I94 WeakPolarHBondContact O-CG1 3.39Å; E77-I94 PolarHBondContact O-N 2.93Å; C79-I94 HydrophobicContact CB-CD1 4.39Å; C79-I94 HydrophobicContact CB-CG1 4.34Å; I94-I97 HydrophobicContact CG2-CD1 3.87Å; I94-I97 HydrophobicContact CG2-CG1 3.42Å; I94-I97 VanDerWaalsContact CG2-CG1 3.42Å; I94-A104 HydrophobicContact CG2-CB 4.22Å; I94-V106 HydrophobicContact CG1-CG1 4.03Å; I94-L122 HydrophobicContact CD1-CD1 4.05Å; I94-L122 HydrophobicContact CG1-CD1 4.42Å
95E93.2Very high89.6Confident120 Ų12076.1 Ų76.156%0.56139%0.385SS*.EExtended strand (participates in β ladder)trans-91.7-39.7179.8-172.5170.8177.700111.6V75 E93 A105 T107V75-E95 WeakPolarHBondContact CG1-O 3.4Å; E93-E95 PolarHBondContact O-N 3.08Å; E95-A105 PolarHBondContact N-O 2.9Å; E95-T107 PolarHBondContact OE2-OG1 3.36Å
96E90.6Very high90.2Very high131 Ų13169 Ų6961%0.61235%0.353SS*.EExtended strand (participates in β ladder)trans-146.1145.5179.5-169.2173.8178.700110.6A104 A105E96-A104 CarbonylContact O-C 3.53Å; E96-A104 VanDerWaalsContact O-CA 3.24Å; E96-A104 WeakPolarHBondContact O-CA 3.36Å; E96-A104 WeakPolarHBondContact O-CB 3.43Å; E96-A105 HydrophobicContact CB-CB 4.1Å; E96-A105 PolarHBondContact N-O 3.11Å; E96-A105 PolarHBondContact O-N 3.03Å
97I93.1Very high90.5Very high29 Ų2967.8 Ų67.815%0.14935%0.347CS..EExtended strand (participates in β ladder)trans-123.1117.8175.9-58.9176.1000108.9W73 K74 V75 I94 R99 A104 L119W73-I97 VanDerWaalsContact C-CD1 3.44Å; W73-I97 HydrophobicContact CB-CD1 3.89Å; W73-I97 WeakPolarHBondContact O-CD1 3.45Å; K74-I97 VanDerWaalsContact C-CD1 3.48Å; V75-I97 HydrophobicContact CG2-CD1 4.37Å; V75-I97 HydrophobicContact CG2-CG1 4.09Å; I94-I97 HydrophobicContact CG2-CD1 3.87Å; I94-I97 HydrophobicContact CG2-CG1 3.42Å; I94-I97 VanDerWaalsContact CG2-CG1 3.42Å; I97-R99 HydrophobicContact CG2-CG 4.07Å; I97-A104 HydrophobicContact CG1-CB 4.26Å; I97-L119 HydrophobicContact CG2-CD1 4.25Å; I97-L119 HydrophobicContact CG2-CD2 4.25Å
98D90.9Very high90.9Very high55 Ų5565.4 Ų65.429%0.29432%0.323SS..EExtended strand (participates in β ladder)trans-91.4104.3168.6-172.1-18.2000109.5E100 N101 G102 T103D98-E100 VanDerWaalsContact C-N 3.33Å; D98-E100 WeakPolarHBondContact OD1-CB 3.48Å; D98-E100 PolarHBondContact OD1-N 2.71Å; D98-N101 PolarHBondContact OD1-N 3.42Å; D98-N101 VanDerWaalsContact OD1-N 3.08Å; D98-N101 PolarHBondContact OD2-ND2 3.31Å; D98-G102 WeakPolarHBondContact O-CA 3.41Å; D98-G102 PolarHBondContact O-N 2.85Å; D98-T103 WeakPolarHBondContact CA-O 3.5Å; D98-T103 PolarHBondContact N-O 2.81Å; D98-T103 PolarHBondContact O-N 2.72Å; D98-T103 VanDerWaalsContact O-N 3.12Å; D98-T103 VanDerWaalsContact O-O 3.14Å
99R86.6Confident91Very high212 Ų21263.7 Ų63.780%0.832%0.32SS*.THydrogen-bonded Turntrans-78-20.1179.8-60.7-175.7-177.7-152.2-0.6113I97I97-R99 HydrophobicContact CG2-CG 4.07Å
100E82.7Confident90.7Very high180 Ų18067.3 Ų67.384%0.84133%0.333SS*.THydrogen-bonded Turntrans-75.2-46.8179.1-175.6172-16600109.7D98D98-E100 VanDerWaalsContact C-N 3.33Å; D98-E100 WeakPolarHBondContact OD1-CB 3.48Å; D98-E100 PolarHBondContact OD1-N 2.71Å
101N82.7Confident90.3Very high115 Ų11571.4 Ų71.462%0.61535%0.349SS*.THydrogen-bonded Turntrans-88.7-11.4179.1-65.9-44.5000113.8D98 T103D98-N101 PolarHBondContact OD1-N 3.42Å; D98-N101 VanDerWaalsContact OD1-N 3.08Å; D98-N101 PolarHBondContact OD2-ND2 3.31Å; N101-T103 VanDerWaalsContact C-N 3.3Å; N101-T103 PolarHBondContact O-N 2.96Å
102G86.7Confident89.9Confident30 Ų3069.1 Ų69.131%0.30935%0.353SS..THydrogen-bonded Turntrans69.728-17900000113.4D98 L119D98-G102 WeakPolarHBondContact O-CA 3.41Å; D98-G102 PolarHBondContact O-N 2.85Å; G102-L119 WeakPolarHBondContact O-CB 3.48Å; G102-L119 WeakPolarHBondContact O-CG 3.33Å; G102-L119 PolarHBondContact O-N 2.93Å
103T92Very high89.6Confident35 Ų3571.8 Ų71.822%0.21537%0.367CS..EExtended strand (participates in β ladder)trans-119.1154.1-178.2510000110.8D98 N101 V116D98-T103 WeakPolarHBondContact CA-O 3.5Å; D98-T103 PolarHBondContact N-O 2.81Å; D98-T103 PolarHBondContact O-N 2.72Å; D98-T103 VanDerWaalsContact O-N 3.12Å; D98-T103 VanDerWaalsContact O-O 3.14Å; N101-T103 VanDerWaalsContact C-N 3.3Å; N101-T103 PolarHBondContact O-N 2.96Å; T103-V116 HydrophobicContact CG2-CG1 4.37Å
104A93.1Very high89.4Confident0 Ų070.4 Ų70.40%037%0.372CS..EExtended strand (participates in β ladder)trans-128137.3173.700000110.4I94 E96 I97 V106 V116 I117 L119 L122I94-A104 HydrophobicContact CG2-CB 4.22Å; E96-A104 CarbonylContact O-C 3.53Å; E96-A104 VanDerWaalsContact O-CA 3.24Å; E96-A104 WeakPolarHBondContact O-CA 3.36Å; E96-A104 WeakPolarHBondContact O-CB 3.43Å; I97-A104 HydrophobicContact CG1-CB 4.26Å; A104-V106 HydrophobicContact CB-CG1 4.23Å; A104-V116 WeakPolarHBondContact O-CA 3.36Å; A104-I117 PolarHBondContact N-O 3.2Å; A104-I117 PolarHBondContact O-N 2.95Å; A104-L119 HydrophobicContact CB-CD2 3.72Å; A104-L122 HydrophobicContact CB-CD1 4.04Å
105A93.9Very high89.3Confident24 Ų2472.6 Ų72.620%0.19838%0.382CS..EExtended strand (participates in β ladder)trans-80.8121.6165.500000108.2E95 E96 E115 V116E95-A105 PolarHBondContact N-O 2.9Å; E96-A105 HydrophobicContact CB-CB 4.1Å; E96-A105 PolarHBondContact N-O 3.11Å; E96-A105 PolarHBondContact O-N 3.03Å; A105-E115 WeakPolarHBondContact CA-O 3.32Å; A105-V116 HydrophobicContact CB-CG2 4.42Å
106V94.4Very high89.4Confident0 Ų071.5 Ų71.50%038%0.383CS..EExtended strand (participates in β ladder)trans-123.3141.3-178.9-540000110.4A81 A92 E93 I94 A104 A114 E115 I117 L122A81-V106 HydrophobicContact CB-CG2 3.86Å; A92-V106 HydrophobicContact CB-CB 3.9Å; A92-V106 HydrophobicContact CB-CG2 3.9Å; E93-V106 CarbonylContact O-C 3.59Å; E93-V106 VanDerWaalsContact O-CA 3.26Å; E93-V106 WeakPolarHBondContact O-CA 3.49Å; I94-V106 HydrophobicContact CG1-CG1 4.03Å; A104-V106 HydrophobicContact CB-CG1 4.23Å; V106-A114 CarbonylContact O-C 3.47Å; V106-A114 VanDerWaalsContact O-CA 3.28Å; V106-A114 WeakPolarHBondContact O-CA 3.29Å; V106-E115 PolarHBondContact N-O 2.93Å; V106-E115 PolarHBondContact O-N 3.37Å; V106-I117 HydrophobicContact CG2-CD1 3.76Å; V106-I117 HydrophobicContact CG2-CG1 4.26Å; V106-L122 HydrophobicContact CG1-CD1 4.33Å; V106-L122 HydrophobicContact CG1-CD2 4.02Å
107T94.3Very high89.4Confident35 Ų3565.5 Ų65.522%0.21536%0.356CS..EExtended strand (participates in β ladder)trans-108.6118.9179.5-69.20000110A92 E93 E95 T109 N113 A114A92-T107 CarbonylContact C-O 3.51Å; A92-T107 VanDerWaalsContact CA-O 3.24Å; A92-T107 WeakPolarHBondContact CA-O 3.34Å; E93-T107 PolarHBondContact N-O 3.09Å; E93-T107 PolarHBondContact O-N 3.41Å; E95-T107 PolarHBondContact OE2-OG1 3.36Å; T107-T109 PolarHBondContact O-N 3.42Å; T107-N113 CarbonylContact C-O 3.57Å; T107-N113 WeakPolarHBondContact CA-O 3.48Å; T107-A114 WeakPolarHBondContact OG1-CB 3.47Å
108F93.1Very high89.3Confident2 Ų266.2 Ų66.21%0.00936%0.362CS..EExtended strand (participates in β ladder)trans-69.8124-178-68.8-76.9000110.9A81 W83 A92 E110 Y111 G112 N113 E115 I117A81-F108 HydrophobicContact CB-CE1 4.07Å; A81-F108 HydrophobicContact CB-CZ 4.38Å; W83-F108 HydrophobicContact CB-CE1 4.31Å; W83-F108 HydrophobicContact CB-CZ 3.97Å; W83-F108 AromaticContact CD1-CE2 3.7Å; W83-F108 AromaticContact CD1-CZ 3.92Å; W83-F108 HydrophobicContact CG-CE2 4.4Å; W83-F108 HydrophobicContact CG-CZ 4.25Å; A92-F108 HydrophobicContact CB-CD1 3.96Å; A92-F108 HydrophobicContact CB-CE1 4.31Å; A92-F108 HydrophobicContact CB-CG 4.48Å; F108-E110 VanDerWaalsContact C-N 3.34Å; F108-E110 PolarHBondContact O-N 3.5Å; F108-Y111 PolarHBondContact O-N 2.84Å; F108-G112 WeakPolarHBondContact O-CA 3.46Å; F108-G112 PolarHBondContact O-N 3.16Å; F108-N113 WeakPolarHBondContact CD2-O 3.38Å; F108-N113 PolarHBondContact N-O 2.93Å; F108-E115 HydrophobicContact CE2-CB 3.87Å; F108-E115 WeakPolarHBondContact CE2-OE2 3.38Å; F108-I117 HydrophobicContact CZ-CD1 4Å
109T88.8Confident89.1Confident75 Ų7565.7 Ų65.746%0.4636%0.359SS..THydrogen-bonded Turntrans-67.7-31.1-171.152.80000113.5E91 T107E91-T109 PolarHBondContact O-N 3.49Å; E91-T109 PolarHBondContact O-OG1 2.92Å; T107-T109 PolarHBondContact O-N 3.42Å
110E82.8Confident89.1Confident135 Ų13563.6 Ų63.663%0.63136%0.358SS*.THydrogen-bonded Turntrans-77-28.2-178.8-68.1-168154.600113.7F108F108-E110 VanDerWaalsContact C-N 3.34Å; F108-E110 PolarHBondContact O-N 3.5Å
111Y82.6Confident89.3Confident121 Ų12158.6 Ų58.648%0.47534%0.338SS..THydrogen-bonded Turntrans-122.3-22.1-167.9-54.8-83.6000113.7Y90 F108 N113Y90-Y111 HydrophobicContact CD1-CE2 4.2Å; Y90-Y111 HydrophobicContact CE1-CE2 4.22Å; F108-Y111 PolarHBondContact O-N 2.84Å; Y111-N113 VanDerWaalsContact C-N 3.28Å; Y111-N113 WeakPolarHBondContact CB-OD1 3.17Å; Y111-N113 PolarHBondContact O-N 3.24Å; Y111-N113 PolarHBondContact O-OD1 3.49Å
112G84.7Confident89.6Confident55 Ų5553.8 Ų53.857%0.56731%0.312SS*.  trans77.48-179.600000114.6F108F108-G112 WeakPolarHBondContact O-CA 3.46Å; F108-G112 PolarHBondContact O-N 3.16Å
113N87.4Confident89.6Confident57 Ų5758.1 Ų58.131%0.30532%0.322SS..  trans-79.6136174.97-65.3000110.4T107 F108 Y111T107-N113 CarbonylContact C-O 3.57Å; T107-N113 WeakPolarHBondContact CA-O 3.48Å; F108-N113 WeakPolarHBondContact CD2-O 3.38Å; F108-N113 PolarHBondContact N-O 2.93Å; Y111-N113 VanDerWaalsContact C-N 3.28Å; Y111-N113 WeakPolarHBondContact CB-OD1 3.17Å; Y111-N113 PolarHBondContact O-N 3.24Å; Y111-N113 PolarHBondContact O-OD1 3.49Å
114A90.4Very high89.2Confident67 Ų6758.4 Ų58.455%0.55433%0.328SS*.EExtended strand (participates in β ladder)trans-95.5137171.300000110.8V106 T107V106-A114 CarbonylContact O-C 3.47Å; V106-A114 VanDerWaalsContact O-CA 3.28Å; V106-A114 WeakPolarHBondContact O-CA 3.29Å; T107-A114 WeakPolarHBondContact OG1-CB 3.47Å
115E91.8Very high88.7Confident46 Ų4660.1 Ų60.122%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-141.6144.7177.7-172.2169-169.100111.4W83 S84 A105 V106 F108 I117W83-E115 VanDerWaalsContact CD1-OE2 3.24Å; S84-E115 WeakPolarHBondContact CB-OE1 3.35Å; S84-E115 PolarHBondContact OG-OE1 3.38Å; A105-E115 WeakPolarHBondContact CA-O 3.32Å; V106-E115 PolarHBondContact N-O 2.93Å; V106-E115 PolarHBondContact O-N 3.37Å; F108-E115 HydrophobicContact CE2-CB 3.87Å; F108-E115 WeakPolarHBondContact CE2-OE2 3.38Å; E115-I117 HydrophobicContact CB-CD1 4.5Å; E115-I117 HydrophobicContact CB-CG1 4.48Å; E115-I117 HydrophobicContact CG-CD1 4.41Å; E115-I117 HydrophobicContact CG-CG1 4.11Å
116V93.9Very high87.3Confident97 Ų9767 Ų6759%0.58837%0.366SS*.EExtended strand (participates in β ladder)trans-89.3116.1177.3-1780000109.4T103 A104 A105T103-V116 HydrophobicContact CG2-CG1 4.37Å; A104-V116 WeakPolarHBondContact O-CA 3.36Å; A105-V116 HydrophobicContact CB-CG2 4.42Å
117I91.2Very high85.3Confident6 Ų672.2 Ų72.23%0.03139%0.39CS..EExtended strand (participates in β ladder)trans-125.5136.1-174.7-63.9179.9000109.8A81 T82 A104 V106 F108 E115 N121 L122A81-I117 HydrophobicContact CB-CD1 3.6Å; T82-I117 WeakPolarHBondContact O-CD1 3.36Å; A104-I117 PolarHBondContact N-O 3.2Å; A104-I117 PolarHBondContact O-N 2.95Å; V106-I117 HydrophobicContact CG2-CD1 3.76Å; V106-I117 HydrophobicContact CG2-CG1 4.26Å; F108-I117 HydrophobicContact CZ-CD1 4Å; E115-I117 HydrophobicContact CB-CD1 4.5Å; E115-I117 HydrophobicContact CB-CG1 4.48Å; E115-I117 HydrophobicContact CG-CD1 4.41Å; E115-I117 HydrophobicContact CG-CG1 4.11Å; I117-N121 HydrophobicContact CG2-CB 3.89Å; I117-L122 HydrophobicContact CB-CD2 4.34Å; I117-L122 HydrophobicContact CG2-CD2 3.93Å; I117-L122 HydrophobicContact CG2-CG 4.49Å
118P90.4Very high83.2Confident44 Ų4473.7 Ų73.729%0.28641%0.413SS..EExtended strand (participates in β ladder)trans-58.2138.4174.8-24.334.1000112.1Q120 N121P118-Q120 HydrophobicContact CB-CG 3.69Å; P118-Q120 PolarHBondContact O-N 3.21Å; P118-N121 WeakPolarHBondContact O-CB 3.35Å; P118-N121 PolarHBondContact O-N 3.13Å
119L88.6Confident80.5Confident44 Ų4482.9 Ų82.923%0.2345%0.453CS..G310 helixtrans-58-27.5-179.3-69.7170.6000113W73 I97 G102 A104 N121 L122W73-L119 HydrophobicContact CB-CD2 4.16Å; W73-L119 HydrophobicContact CG-CD2 4.16Å; I97-L119 HydrophobicContact CG2-CD1 4.25Å; I97-L119 HydrophobicContact CG2-CD2 4.25Å; G102-L119 WeakPolarHBondContact O-CB 3.48Å; G102-L119 WeakPolarHBondContact O-CG 3.33Å; G102-L119 PolarHBondContact O-N 2.93Å; A104-L119 HydrophobicContact CB-CD2 3.72Å; L119-N121 VanDerWaalsContact C-N 3.27Å; L119-N121 PolarHBondContact O-N 3.11Å; L119-L122 HydrophobicContact CD2-CD1 4.04Å; L119-L122 PolarHBondContact O-N 2.79Å
120Q86.3Confident78.1Confident167 Ų16787.8 Ų87.878%0.7846%0.463SS*.G310 helixtrans-67.6-23.6175.157.9179.48.800114P118P118-Q120 HydrophobicContact CB-CG 3.69Å; P118-Q120 PolarHBondContact O-N 3.21Å
121N86.2Confident75.8Confident76 Ų7686.2 Ų86.241%0.40647%0.467SS..G310 helixtrans-94.4-7-179.4-69.10.9000112.3I117 P118 L119I117-N121 HydrophobicContact CG2-CB 3.89Å; P118-N121 WeakPolarHBondContact O-CB 3.35Å; P118-N121 PolarHBondContact O-N 3.13Å; L119-N121 VanDerWaalsContact C-N 3.27Å; L119-N121 PolarHBondContact O-N 3.11Å
122L88.3Confident74Confident14 Ų1488.4 Ų88.47%0.07349%0.487CS..  trans-79.5131.8174.5-63.2-177.3000110.4W73 C79 A81 I94 A104 V106 I117 L119W73-L122 HydrophobicContact CD2-CD1 4.4Å; W73-L122 HydrophobicContact CH2-CB 4.3Å; W73-L122 HydrophobicContact CZ2-CB 3.6Å; C79-L122 HydrophobicContact CB-CD2 4.49Å; A81-L122 HydrophobicContact CB-CD2 3.69Å; I94-L122 HydrophobicContact CD1-CD1 4.05Å; I94-L122 HydrophobicContact CG1-CD1 4.42Å; A104-L122 HydrophobicContact CB-CD1 4.04Å; V106-L122 HydrophobicContact CG1-CD1 4.33Å; V106-L122 HydrophobicContact CG1-CD2 4.02Å; I117-L122 HydrophobicContact CB-CD2 4.34Å; I117-L122 HydrophobicContact CG2-CD2 3.93Å; I117-L122 HydrophobicContact CG2-CG 4.49Å; L119-L122 HydrophobicContact CD2-CD1 4.04Å; L119-L122 PolarHBondContact O-N 2.79Å
123K87.5Confident71.7Confident121 Ų12192.3 Ų92.353%0.52650%0.495SS..EExtended strand (participates in β ladder)trans-107.6142.7175.4-67.1175.3-177.6173.80109.6W73 L80 V125W73-K123 WeakPolarHBondContact CH2-O 3.48Å; L80-K123 HydrophobicContact CB-CB 3.87Å; L80-K123 PolarHBondContact N-O 3.33Å; L80-K123 PolarHBondContact O-N 3.38Å; K123-V125 PolarHBondContact O-N 3.11Å
124A84.1Confident69.6Low41 Ų4197.6 Ų97.634%0.33952%0.523SS..EExtended strand (participates in β ladder)trans-60.8134.4171.600000109.3W73 E126W73-A124 HydrophobicContact CH2-CB 4.47Å; A124-E126 PolarHBondContact O-N 3.44Å; A124-E126 VanDerWaalsContact O-N 3.11Å
125V81.4Confident67.2Low35 Ų3597.3 Ų97.321%0.21253%0.526CS..  trans-68.1107.9162173.80000105.1R78 L80 K123 E127R78-V125 HydrophobicContact CB-CG2 4.18Å; L80-V125 HydrophobicContact CG-CG2 3.96Å; K123-V125 PolarHBondContact O-N 3.11Å; V125-E127 HydrophobicContact CG1-CG 4.47Å; V125-E127 PolarHBondContact O-N 3.16Å
126E66.1Low64.8Low170 Ų17098.9 Ų98.979%0.79456%0.556SS**  trans-60.694.8166.6-75.8-69.3132.200106.6A124 G128A124-E126 PolarHBondContact O-N 3.44Å; A124-E126 VanDerWaalsContact O-N 3.11Å; E126-G128 PolarHBondContact O-N 3.11Å
127E52.1Low62.3Low108 Ų108102.3 Ų102.351%0.50557%0.57SS.*  trans-67.383165.6-76-162.5150.300107R78 V125 K129 R130R78-E127 IonicContact CZ-OE1 3.42Å; R78-E127 IonicContact NH2-OE1 3.23Å; R78-E127 PolarHBondContact NH2-OE1 3.26Å; V125-E127 HydrophobicContact CG1-CG 4.47Å; V125-E127 PolarHBondContact O-N 3.16Å; E127-K129 PolarHBondContact O-N 2.99Å; E127-R130 IonicContact OE1-CZ 2.82Å; E127-R130 IonicContact OE1-NE 3.79Å; E127-R130 PolarHBondContact OE1-NE 3.49Å; E127-R130 IonicContact OE1-NH2 3.49Å; E127-R130 PolarHBondContact OE1-NH2 3.16Å
128G48.9Very low60Low67 Ų67112.1 Ų112.169%0.69161%0.612SS**  trans-51.3110.8155.400000106.7E126 R130E126-G128 PolarHBondContact O-N 3.11Å; G128-R130 PolarHBondContact O-N 3.45Å
129K37.4Very low58Low194 Ų194115.2 Ų115.284%0.84363%0.634SS**  trans-8.4109.6175.2-77.5179.4172.9-1760112.6E127 S131E127-K129 PolarHBondContact O-N 2.99Å; K129-S131 VanDerWaalsContact C-N 3.27Å; K129-S131 PolarHBondContact O-N 3.42Å
130R37.9Very low56.2Low179 Ų179117.4 Ų117.468%0.67564%0.642SS**  trans-59.7100.8153-55.2-174.9-158.4-157.214105.9E127 G128 D132E127-R130 IonicContact OE1-CZ 2.82Å; E127-R130 IonicContact OE1-NE 3.79Å; E127-R130 PolarHBondContact OE1-NE 3.49Å; E127-R130 IonicContact OE1-NH2 3.49Å; E127-R130 PolarHBondContact OE1-NH2 3.16Å; G128-R130 PolarHBondContact O-N 3.45Å; R130-D132 VanDerWaalsContact C-N 3.28Å; R130-D132 PolarHBondContact O-N 2.89Å; R130-D132 VanDerWaalsContact O-N 3.13Å
131S35.7Very low55Low102 Ų102112.8 Ų112.871%0.71363%0.629SS**  trans-72.197.2159.152.30000105.9K129 D133K129-S131 VanDerWaalsContact C-N 3.27Å; K129-S131 PolarHBondContact O-N 3.42Å; S131-D133 PolarHBondContact O-N 3.02Å
132D43Very low54Low167 Ų167119.2 Ų119.289%0.89365%0.647SS**  trans-60.389.3152-139.7-92.8000105.9R130R130-D132 VanDerWaalsContact C-N 3.28Å; R130-D132 PolarHBondContact O-N 2.89Å; R130-D132 VanDerWaalsContact O-N 3.13Å
133D36.4Very low52.5Low137 Ų137127.1 Ų127.173%0.73368%0.681SS**  trans-153.2120.1166.5-162.8-125000110S131 G135S131-D133 PolarHBondContact O-N 3.02Å; D133-G135 PolarHBondContact O-N 3.16Å
134D45Very low51.6Low167 Ų167125.9 Ų125.989%0.89368%0.677SS**  trans-59.9105.2169.5178.2-118000109.8
135G39.1Very low50.6Low61 Ų61129 Ų12963%0.62968%0.684SS**  trans-176.395.3179.900000113.2D133 L137D133-G135 PolarHBondContact O-N 3.16Å; G135-L137 PolarHBondContact O-N 3.04Å
136G42Very low49.9Very low80 Ų80131.3 Ų131.383%0.82570%0.695SS**  trans-55.4121.9-170.600000116.1
137L39.8Very low50.4Low169 Ų169125.4 Ų125.489%0.88568%0.675SS**  trans-131.1117.1150-109.478.5000107.3G135 S139G135-L137 PolarHBondContact O-N 3.04Å; L137-S139 PolarHBondContact O-N 3.23Å
138K43Very low51.6Low212 Ų212125.1 Ų125.192%0.92267%0.674SS**  trans-60.6108.9-174.9-57.1-175.2-162.3178.10110.2K140K138-K140 PolarHBondContact O-N 3.36Å
139S49.4Very low52.8Low108 Ų108127.6 Ų127.676%0.75567%0.668SS**PPolyproline II helixtrans-60.4124.2160.3540000107.5L137 S141L137-S139 PolarHBondContact O-N 3.23Å; S139-S141 PolarHBondContact O-N 2.85Å
140K50Low54.8Low90 Ų90127.2 Ų127.239%0.39166%0.661SS.*PPolyproline II helixtrans-49.2120.8177.1-78.5-178164.1-1790108.5K138 E144 Q145 E148K138-K140 PolarHBondContact O-N 3.36Å; K140-E144 HydrophobicContact CB-CB 4.43Å; K140-E144 WeakPolarHBondContact CE-OE1 3.28Å; K140-Q145 HydrophobicContact CB-CG 4.38Å; K140-Q145 PolarHBondContact O-NE2 3.06Å; K140-E148 IonicContact NZ-OE1 2.77Å; K140-E148 PolarHBondContact NZ-OE1 2.69Å; K140-E148 IonicContact NZ-OE2 2.72Å; K140-E148 PolarHBondContact NZ-OE2 3.31Å
141S62.6Low57Low71 Ų71125.6 Ų125.650%0.49766%0.661SS.*PPolyproline II helixtrans-52.5144.1-176.6177.90000109.7S139 K143 E144 Q145S139-S141 PolarHBondContact O-N 2.85Å; S141-K143 PolarHBondContact O-N 3.22Å; S141-E144 WeakPolarHBondContact O-CA 3.42Å; S141-E144 WeakPolarHBondContact O-CB 3.41Å; S141-E144 PolarHBondContact O-N 3Å; S141-Q145 PolarHBondContact O-N 3.5Å
142R64.6Low59.3Low211 Ų211128.2 Ų128.280%0.79666%0.656SS**Hα-helixtrans-46.2-30.8174-173.1-180-73.3-162.8-3.5112.4I146R142-I146 HydrophobicContact CG-CD1 4.4Å; R142-I146 WeakPolarHBondContact O-CD1 3.44Å; R142-I146 VanDerWaalsContact O-CG1 3.28Å; R142-I146 WeakPolarHBondContact O-CG1 3.33Å; R142-I146 PolarHBondContact O-N 3.31Å
143K57.2Low61.4Low179 Ų179126.9 Ų126.978%0.77864%0.643SS**Hα-helixtrans-67.7-35.4175.3-170.6175179.6178.80114S141 A147S141-K143 PolarHBondContact O-N 3.22Å; K143-A147 PolarHBondContact O-N 3.24Å
144E69.1Low64Low96 Ų96126.9 Ų126.945%0.44964%0.636SS.*Hα-helixtrans-76.1-40179.4-167.1178.1164.600111.3K140 S141 I146 A147 E148K140-E144 HydrophobicContact CB-CB 4.43Å; K140-E144 WeakPolarHBondContact CE-OE1 3.28Å; S141-E144 WeakPolarHBondContact O-CA 3.42Å; S141-E144 WeakPolarHBondContact O-CB 3.41Å; S141-E144 PolarHBondContact O-N 3Å; E144-I146 VanDerWaalsContact C-N 3.32Å; E144-I146 PolarHBondContact O-N 3.05Å; E144-A147 WeakPolarHBondContact O-CB 3.45Å; E144-A147 PolarHBondContact O-N 3.24Å; E144-A147 VanDerWaalsContact O-N 3.13Å; E144-E148 WeakPolarHBondContact O-CB 3.39Å; E144-E148 PolarHBondContact O-N 2.75Å
145Q62.7Low66.2Low105 Ų105126.6 Ų126.649%0.49163%0.627SS.*Hα-helixtrans-62.4-38.5174.8-64.2-175.729.700112.2K140 S141 E148 Q149K140-Q145 HydrophobicContact CB-CG 4.38Å; K140-Q145 PolarHBondContact O-NE2 3.06Å; S141-Q145 PolarHBondContact O-N 3.5Å; Q145-E148 PolarHBondContact O-N 2.9Å; Q145-Q149 WeakPolarHBondContact O-CG 3.28Å; Q145-Q149 PolarHBondContact O-N 3.24Å
146I66.6Low68.7Low84 Ų84130.6 Ų130.643%0.43163%0.627SS.*Hα-helixtrans-66.8-37.4174.9-66.7165.9000111.2R142 E144 R150R142-I146 HydrophobicContact CG-CD1 4.4Å; R142-I146 WeakPolarHBondContact O-CD1 3.44Å; R142-I146 VanDerWaalsContact O-CG1 3.28Å; R142-I146 WeakPolarHBondContact O-CG1 3.33Å; R142-I146 PolarHBondContact O-N 3.31Å; E144-I146 VanDerWaalsContact C-N 3.32Å; E144-I146 PolarHBondContact O-N 3.05Å; I146-R150 VanDerWaalsContact O-CG 3.31Å; I146-R150 WeakPolarHBondContact O-CG 3.45Å; I146-R150 PolarHBondContact O-N 3.12Å; I146-R150 VanDerWaalsContact O-N 3.11Å
147A75.2Confident71Confident47 Ų47129.4 Ų129.439%0.38861%0.609SS.*Hα-helixtrans-67.9-44177.100000111.7K143 E144 Q149 R150 E151K143-A147 PolarHBondContact O-N 3.24Å; E144-A147 WeakPolarHBondContact O-CB 3.45Å; E144-A147 PolarHBondContact O-N 3.24Å; E144-A147 VanDerWaalsContact O-N 3.13Å; A147-Q149 PolarHBondContact O-N 3.33Å; A147-R150 PolarHBondContact O-N 3.5Å; A147-R150 VanDerWaalsContact O-N 3.11Å; A147-E151 PolarHBondContact O-N 3.23Å
148E77.2Confident73.3Confident102 Ų102126.7 Ų126.748%0.47759%0.592SS.*Hα-helixtrans-63.7-39.9178.8-166.9161.6-153.600111.3K140 E144 Q145 E151 Y152K140-E148 IonicContact NZ-OE1 2.77Å; K140-E148 PolarHBondContact NZ-OE1 2.69Å; K140-E148 IonicContact NZ-OE2 2.72Å; K140-E148 PolarHBondContact NZ-OE2 3.31Å; E144-E148 WeakPolarHBondContact O-CB 3.39Å; E144-E148 PolarHBondContact O-N 2.75Å; Q145-E148 PolarHBondContact O-N 2.9Å; E148-E151 PolarHBondContact O-N 3.33Å; E148-Y152 VanDerWaalsContact O-CB 3.25Å; E148-Y152 WeakPolarHBondContact O-CB 3.25Å; E148-Y152 PolarHBondContact O-N 2.82Å
149Q74Confident75.7Confident119 Ų119123.4 Ų123.456%0.55658%0.578SS**Hα-helixtrans-64.8-38.2171.8-75.1-166.427.700113.2Q145 A147 K153Q145-Q149 WeakPolarHBondContact O-CG 3.28Å; Q145-Q149 PolarHBondContact O-N 3.24Å; A147-Q149 PolarHBondContact O-N 3.33Å; Q149-K153 WeakPolarHBondContact O-CB 3.47Å; Q149-K153 VanDerWaalsContact O-CG 3.31Å; Q149-K153 WeakPolarHBondContact O-CG 3.5Å; Q149-K153 PolarHBondContact O-N 2.97Å
150R79.8Confident77.6Confident185 Ų185125.1 Ų125.170%0.69857%0.572SS**Hα-helixtrans-68.1-42.3176.7-76175.7-179.1-168.30.7111.5I146 A147 K153 K154I146-R150 VanDerWaalsContact O-CG 3.31Å; I146-R150 WeakPolarHBondContact O-CG 3.45Å; I146-R150 PolarHBondContact O-N 3.12Å; I146-R150 VanDerWaalsContact O-N 3.11Å; A147-R150 PolarHBondContact O-N 3.5Å; A147-R150 VanDerWaalsContact O-N 3.11Å; R150-K153 PolarHBondContact O-N 2.87Å; R150-K154 WeakPolarHBondContact O-CB 3.47Å; R150-K154 PolarHBondContact O-N 2.9Å
151E84.4Confident79.6Confident145 Ų145125.6 Ų125.668%0.67858%0.582SS**Hα-helixtrans-65.4-42174.7-77.3-161.712400111.9A147 E148 K153 K154 K155A147-E151 PolarHBondContact O-N 3.23Å; E148-E151 PolarHBondContact O-N 3.33Å; E151-K153 PolarHBondContact O-N 3.46Å; E151-K154 PolarHBondContact O-N 3.13Å; E151-K155 WeakPolarHBondContact O-CB 3.39Å; E151-K155 PolarHBondContact O-N 3.4Å
152Y85.1Confident80.9Confident157 Ų157128.8 Ų128.862%0.61659%0.589SS**Hα-helixtrans-59.7-47.1174.5-178-95000111.6E148 K154 K155 K156E148-Y152 VanDerWaalsContact O-CB 3.25Å; E148-Y152 WeakPolarHBondContact O-CB 3.25Å; E148-Y152 PolarHBondContact O-N 2.82Å; Y152-K154 PolarHBondContact O-N 3.3Å; Y152-K155 PolarHBondContact O-N 3.37Å; Y152-K156 HydrophobicContact CE1-CD 4.47Å; Y152-K156 WeakPolarHBondContact O-CB 3.31Å; Y152-K156 PolarHBondContact O-N 3.47Å
153K86.8Confident82.2Confident140 Ų140126.2 Ų126.261%0.60958%0.579SS**Hα-helixtrans-61.7-42.1175.6-76.3176.8-179.4177.10111.7Q149 R150 E151 K156 A157Q149-K153 WeakPolarHBondContact O-CB 3.47Å; Q149-K153 VanDerWaalsContact O-CG 3.31Å; Q149-K153 WeakPolarHBondContact O-CG 3.5Å; Q149-K153 PolarHBondContact O-N 2.97Å; R150-K153 PolarHBondContact O-N 2.87Å; E151-K153 PolarHBondContact O-N 3.46Å; K153-K156 PolarHBondContact O-N 2.89Å; K153-A157 WeakPolarHBondContact O-CB 3.33Å; K153-A157 PolarHBondContact O-N 3.46Å
154K91.3Very high83.5Confident137 Ų137123 Ų12360%0.59657%0.568SS**Hα-helixtrans-63.7-44.4177.2-170178.2179.8-176.20111.7R150 E151 Y152 A157 Q158R150-K154 WeakPolarHBondContact O-CB 3.47Å; R150-K154 PolarHBondContact O-N 2.9Å; E151-K154 PolarHBondContact O-N 3.13Å; Y152-K154 PolarHBondContact O-N 3.3Å; K154-A157 PolarHBondContact O-N 3.43Å; K154-Q158 WeakPolarHBondContact O-CB 3.41Å; K154-Q158 VanDerWaalsContact O-CG 3.29Å; K154-Q158 WeakPolarHBondContact O-CG 3.31Å; K154-Q158 PolarHBondContact O-N 2.95Å
155K89.9Confident84.7Confident161 Ų161124.4 Ų124.470%0.757%0.573SS**Hα-helixtrans-64.3-40.5177.8-167.1173.1-176.4175.90111.8E151 Y152 K159E151-K155 WeakPolarHBondContact O-CB 3.39Å; E151-K155 PolarHBondContact O-N 3.4Å; Y152-K155 PolarHBondContact O-N 3.37Å; K155-K159 WeakPolarHBondContact O-CB 3.47Å; K155-K159 PolarHBondContact O-N 3.25Å
156K92.8Very high86Confident144 Ų144124.8 Ų124.863%0.62658%0.575SS**Hα-helixtrans-65.8-42.7175.5-166.8175.5-178.4176.70111.9Y152 K153 K159 K160Y152-K156 HydrophobicContact CE1-CD 4.47Å; Y152-K156 WeakPolarHBondContact O-CB 3.31Å; Y152-K156 PolarHBondContact O-N 3.47Å; K153-K156 PolarHBondContact O-N 2.89Å; K156-K159 PolarHBondContact O-N 2.95Å; K156-K160 PolarHBondContact O-N 3.49Å; K156-K160 VanDerWaalsContact O-N 3.1Å
157A90.4Very high87Confident55 Ų55125 Ų12546%0.45558%0.576SS.*Hα-helixtrans-63.7-45.417600000111.8K153 K154 K159 K160 V161K153-A157 WeakPolarHBondContact O-CB 3.33Å; K153-A157 PolarHBondContact O-N 3.46Å; K154-A157 PolarHBondContact O-N 3.43Å; A157-K159 PolarHBondContact O-N 2.86Å; A157-K160 WeakPolarHBondContact O-CB 3.36Å; A157-K160 PolarHBondContact O-N 3.11Å; A157-V161 WeakPolarHBondContact O-CG2 3.21Å; A157-V161 PolarHBondContact O-N 2.99Å
158Q86.5Confident87.5Confident112 Ų112127.7 Ų127.752%0.52358%0.581SS.*Hα-helixtrans-60.4-45.2176.7-75.3176.1-11.900112.2K154 K160 V161 Q162K154-Q158 WeakPolarHBondContact O-CB 3.41Å; K154-Q158 VanDerWaalsContact O-CG 3.29Å; K154-Q158 WeakPolarHBondContact O-CG 3.31Å; K154-Q158 PolarHBondContact O-N 2.95Å; Q158-K160 VanDerWaalsContact C-N 3.28Å; Q158-K160 PolarHBondContact O-N 3.26Å; Q158-V161 PolarHBondContact O-N 3.04Å; Q158-Q162 WeakPolarHBondContact O-CB 3.37Å; Q158-Q162 PolarHBondContact O-N 3.07Å
159K93.9Very high88Confident143 Ų143127.4 Ų127.462%0.62258%0.579SS**Hα-helixtrans-61.8-36.1176.7-168.9171.8-176.2175.60112.2K155 K156 A157 R163K155-K159 WeakPolarHBondContact O-CB 3.47Å; K155-K159 PolarHBondContact O-N 3.25Å; K156-K159 PolarHBondContact O-N 2.95Å; A157-K159 PolarHBondContact O-N 2.86Å; K159-R163 PolarHBondContact O-N 3.11Å; K159-R163 VanDerWaalsContact O-N 3.07Å
160K90.6Very high88.7Confident145 Ų145126.6 Ų126.663%0.6358%0.576SS**Hα-helixtrans-67.2-45.6175-172.9179.5178.9-177.60111.7K156 A157 Q158 Q162 R163 M164K156-K160 PolarHBondContact O-N 3.49Å; K156-K160 VanDerWaalsContact O-N 3.1Å; A157-K160 WeakPolarHBondContact O-CB 3.36Å; A157-K160 PolarHBondContact O-N 3.11Å; Q158-K160 VanDerWaalsContact C-N 3.28Å; Q158-K160 PolarHBondContact O-N 3.26Å; K160-Q162 VanDerWaalsContact C-N 3.32Å; K160-Q162 PolarHBondContact O-N 3.26Å; K160-R163 PolarHBondContact O-N 3.37Å; K160-M164 WeakPolarHBondContact O-CG 3.29Å; K160-M164 PolarHBondContact O-N 3.3Å
161V90.4Very high89.2Confident99 Ų99124.8 Ų124.860%0.657%0.569SS**Hα-helixtrans-62.2-41.3177.2172.20000110.9A157 Q158 M164 K165A157-V161 WeakPolarHBondContact O-CG2 3.21Å; A157-V161 PolarHBondContact O-N 2.99Å; Q158-V161 PolarHBondContact O-N 3.04Å; V161-M164 PolarHBondContact O-N 3.42Å; V161-K165 WeakPolarHBondContact O-CB 3.44Å; V161-K165 PolarHBondContact O-N 3.24Å
162Q91.1Very high89.3Confident139 Ų139123.7 Ų123.765%0.6556%0.564SS**Hα-helixtrans-63.7-45.5177.7-169.7170.49.900112Q158 K160 M164 K165 E166Q158-Q162 WeakPolarHBondContact O-CB 3.37Å; Q158-Q162 PolarHBondContact O-N 3.07Å; K160-Q162 VanDerWaalsContact C-N 3.32Å; K160-Q162 PolarHBondContact O-N 3.26Å; Q162-M164 VanDerWaalsContact C-N 3.33Å; Q162-M164 PolarHBondContact O-N 3.01Å; Q162-K165 PolarHBondContact O-N 2.95Å; Q162-E166 WeakPolarHBondContact O-CB 3.37Å; Q162-E166 PolarHBondContact O-N 3.48Å
163R91.5Very high89.5Confident156 Ų156121.5 Ų121.559%0.58956%0.559SS**Hα-helixtrans-59.5-42.8174.7-175.2-172.2-64.8156.1-5.3112.2K159 K160 E166 L167K159-R163 PolarHBondContact O-N 3.11Å; K159-R163 VanDerWaalsContact O-N 3.07Å; K160-R163 PolarHBondContact O-N 3.37Å; R163-E166 PolarHBondContact O-N 3.48Å; R163-L167 WeakPolarHBondContact O-CB 3.49Å; R163-L167 PolarHBondContact O-N 3.1Å
164M84.7Confident89.6Confident113 Ų113120.6 Ų120.656%0.55756%0.557SS**Hα-helixtrans-65.4-41.4177.9-72.2-62.6-61.600111.8K160 V161 Q162 L167 E168K160-M164 WeakPolarHBondContact O-CG 3.29Å; K160-M164 PolarHBondContact O-N 3.3Å; V161-M164 PolarHBondContact O-N 3.42Å; Q162-M164 VanDerWaalsContact C-N 3.33Å; Q162-M164 PolarHBondContact O-N 3.01Å; M164-L167 PolarHBondContact O-N 3.01Å; M164-E168 WeakPolarHBondContact O-CB 3.41Å; M164-E168 PolarHBondContact O-N 3.19Å
165K93Very high89.2Confident125 Ų125120.5 Ų120.554%0.54356%0.557SS.*Hα-helixtrans-65-42177.3-175.8177.8-178.8179.10111.9V161 Q162 E168 Q169V161-K165 WeakPolarHBondContact O-CB 3.44Å; V161-K165 PolarHBondContact O-N 3.24Å; Q162-K165 PolarHBondContact O-N 2.95Å; K165-E168 PolarHBondContact O-N 3.47Å; K165-Q169 WeakPolarHBondContact O-CB 3.39Å; K165-Q169 WeakPolarHBondContact O-CG 3.4Å; K165-Q169 PolarHBondContact O-N 3.39Å
166E90.5Very high89.1Confident112 Ų112115 Ų11552%0.52354%0.539SS..Hα-helixtrans-60.9-47.2175.5-176.8174-159.200110.9Q162 R163 E168 Q169 E170Q162-E166 WeakPolarHBondContact O-CB 3.37Å; Q162-E166 PolarHBondContact O-N 3.48Å; R163-E166 PolarHBondContact O-N 3.48Å; E166-E168 VanDerWaalsContact C-N 3.28Å; E166-E168 PolarHBondContact O-N 2.9Å; E166-Q169 PolarHBondContact O-N 3.34Å; E166-E170 WeakPolarHBondContact O-CG 3.45Å; E166-E170 PolarHBondContact O-N 2.83Å
167L87.8Confident89.1Confident89 Ų89113.9 Ų113.947%0.46653%0.534SS..Hα-helixtrans-62.4-34.7176.8-148.4104.5000112.9R163 M164 R171R163-L167 WeakPolarHBondContact O-CB 3.49Å; R163-L167 PolarHBondContact O-N 3.1Å; M164-L167 PolarHBondContact O-N 3.01Å; L167-R171 PolarHBondContact O-N 3.35Å; L167-R171 VanDerWaalsContact O-N 3.13Å
168E85.6Confident88.6Confident103 Ų103119.2 Ų119.248%0.48154%0.542SS..Hα-helixtrans-72.8-40.3175.5-176.6154.8-119.500112.1M164 K165 E166 R171 E172M164-E168 WeakPolarHBondContact O-CB 3.41Å; M164-E168 PolarHBondContact O-N 3.19Å; K165-E168 PolarHBondContact O-N 3.47Å; E166-E168 VanDerWaalsContact C-N 3.28Å; E166-E168 PolarHBondContact O-N 2.9Å; E168-R171 WeakPolarHBondContact O-CB 3.37Å; E168-R171 PolarHBondContact O-N 2.78Å; E168-R171 IonicContact OE1-NH1 3.84Å; E168-E172 WeakPolarHBondContact O-CG 3.46Å; E168-E172 PolarHBondContact O-N 3.28Å
169Q88.2Confident88.3Confident96 Ų96118.2 Ų118.245%0.44954%0.537SS..Hα-helixtrans-61.3-44.9173-76.9180-23.200111.3K165 E166 R171 E172 E173K165-Q169 WeakPolarHBondContact O-CB 3.39Å; K165-Q169 WeakPolarHBondContact O-CG 3.4Å; K165-Q169 PolarHBondContact O-N 3.39Å; E166-Q169 PolarHBondContact O-N 3.34Å; Q169-R171 VanDerWaalsContact C-N 3.3Å; Q169-R171 PolarHBondContact O-N 3.09Å; Q169-E172 PolarHBondContact O-N 3.06Å; Q169-E173 WeakPolarHBondContact O-CB 3.42Å; Q169-E173 WeakPolarHBondContact O-CG 3.32Å; Q169-E173 PolarHBondContact O-N 3.3Å
170E88.3Confident87.8Confident103 Ų103117.1 Ų117.148%0.48154%0.535SS..Hα-helixtrans-58-44.6173.5-72.8-178.4161.500111.1E166 E172 E173 Q174E166-E170 WeakPolarHBondContact O-CG 3.45Å; E166-E170 PolarHBondContact O-N 2.83Å; E170-E172 VanDerWaalsContact C-N 3.35Å; E170-E172 PolarHBondContact O-N 3.5Å; E170-E173 PolarHBondContact O-N 2.98Å; E170-Q174 VanDerWaalsContact O-CG 3.23Å; E170-Q174 WeakPolarHBondContact O-CG 3.3Å; E170-Q174 PolarHBondContact O-N 3.42Å
171R89.9Confident87.3Confident146 Ų146117.2 Ų117.255%0.55154%0.535SS*.Hα-helixtrans-61.2-42.9176.7-168.3-168.5-59129.81.3111.9L167 E168 Q169 Q174 K175L167-R171 PolarHBondContact O-N 3.35Å; L167-R171 VanDerWaalsContact O-N 3.13Å; E168-R171 WeakPolarHBondContact O-CB 3.37Å; E168-R171 PolarHBondContact O-N 2.78Å; E168-R171 IonicContact OE1-NH1 3.84Å; Q169-R171 VanDerWaalsContact C-N 3.3Å; Q169-R171 PolarHBondContact O-N 3.09Å; R171-Q174 PolarHBondContact O-N 2.88Å; R171-K175 WeakPolarHBondContact O-CB 3.44Å; R171-K175 PolarHBondContact O-N 2.9Å
172E87.3Confident86.6Confident123 Ų123114.6 Ų114.658%0.57552%0.518SS*.Hα-helixtrans-67.6-38.4177.3-75-170.9164.800112.4E168 Q169 E170 K175 S176E168-E172 WeakPolarHBondContact O-CG 3.46Å; E168-E172 PolarHBondContact O-N 3.28Å; Q169-E172 PolarHBondContact O-N 3.06Å; E170-E172 VanDerWaalsContact C-N 3.35Å; E170-E172 PolarHBondContact O-N 3.5Å; E172-K175 CarbonylContact O-C 3.6Å; E172-K175 WeakPolarHBondContact O-CB 3.23Å; E172-K175 PolarHBondContact O-N 3.43Å; E172-S176 VanDerWaalsContact O-CB 3.32Å; E172-S176 WeakPolarHBondContact O-CB 3.43Å; E172-S176 PolarHBondContact O-N 3.32Å
173E89.2Confident85.9Confident111 Ų111112.9 Ų112.952%0.51951%0.513SS..Hα-helixtrans-64.9-42.7174.4-76.5-178.2-167.200111.5Q169 E170 K175 S176 K177Q169-E173 WeakPolarHBondContact O-CB 3.42Å; Q169-E173 WeakPolarHBondContact O-CG 3.32Å; Q169-E173 PolarHBondContact O-N 3.3Å; E170-E173 PolarHBondContact O-N 2.98Å; E173-K175 VanDerWaalsContact C-N 3.34Å; E173-S176 PolarHBondContact O-N 3.13Å; E173-K177 WeakPolarHBondContact O-CB 3.34Å; E173-K177 WeakPolarHBondContact O-CG 3.43Å; E173-K177 PolarHBondContact O-N 3.31Å
174Q88.3Confident85.2Confident121 Ų121112.4 Ų112.457%0.56552%0.515SS*.Hα-helixtrans-65.1-40.1174.4-64-60.3-100111.2E170 R171 K177 W178E170-Q174 VanDerWaalsContact O-CG 3.23Å; E170-Q174 WeakPolarHBondContact O-CG 3.3Å; E170-Q174 PolarHBondContact O-N 3.42Å; R171-Q174 PolarHBondContact O-N 2.88Å; Q174-K177 PolarHBondContact O-N 2.85Å; Q174-W178 WeakPolarHBondContact O-CB 3.46Å; Q174-W178 PolarHBondContact O-N 3.25Å
175K84.1Confident84.1Confident134 Ų134109.9 Ų109.958%0.58351%0.512SS*.Hα-helixtrans-60.6-45.4172.3-177.7-176.9177.4-174.80111.3R171 E172 E173 W178 Q179R171-K175 WeakPolarHBondContact O-CB 3.44Å; R171-K175 PolarHBondContact O-N 2.9Å; E172-K175 CarbonylContact O-C 3.6Å; E172-K175 WeakPolarHBondContact O-CB 3.23Å; E172-K175 PolarHBondContact O-N 3.43Å; E173-K175 VanDerWaalsContact C-N 3.34Å; K175-W178 PolarHBondContact O-N 3.4Å; K175-Q179 WeakPolarHBondContact O-CB 3.46Å; K175-Q179 VanDerWaalsContact O-CG 3.28Å; K175-Q179 WeakPolarHBondContact O-CG 3.4Å; K175-Q179 PolarHBondContact O-N 3.32Å
176S87.4Confident82.5Confident47 Ų47109.2 Ų109.233%0.32951%0.507SS..Hα-helixtrans-65.8-44.9178.8-176.40000111.5E172 E173 W178 Q179 Q180E172-S176 VanDerWaalsContact O-CB 3.32Å; E172-S176 WeakPolarHBondContact O-CB 3.43Å; E172-S176 PolarHBondContact O-N 3.32Å; E173-S176 PolarHBondContact O-N 3.13Å; S176-W178 VanDerWaalsContact C-N 3.32Å; S176-W178 PolarHBondContact O-N 3.32Å; S176-Q179 PolarHBondContact O-N 2.89Å; S176-Q180 WeakPolarHBondContact O-CB 3.34Å; S176-Q180 VanDerWaalsContact O-CG 3.24Å; S176-Q180 WeakPolarHBondContact O-CG 3.37Å; S176-Q180 PolarHBondContact O-N 3.47Å; S176-Q180 PolarHBondContact OG-NE2 2.88Å; S176-Q180 VanDerWaalsContact OG-NE2 3.1Å
177K91.9Very high81.2Confident119 Ų119108.8 Ų108.852%0.51752%0.517SS..Hα-helixtrans-57.6-44172.6-83.9172178159.70111.4E173 Q174 Q180 F181E173-K177 WeakPolarHBondContact O-CB 3.34Å; E173-K177 WeakPolarHBondContact O-CG 3.43Å; E173-K177 PolarHBondContact O-N 3.31Å; Q174-K177 PolarHBondContact O-N 2.85Å; K177-Q180 PolarHBondContact O-N 3.05Å; K177-F181 WeakPolarHBondContact O-CB 3.43Å; K177-F181 PolarHBondContact O-N 2.98Å
178W80.4Confident79.9Confident167 Ų167112.3 Ų112.363%0.63353%0.528SS*.Hα-helixtrans-66.1-42.4176.7-17085.1000112.1Q174 K175 S176 Q180 F181 N182Q174-W178 WeakPolarHBondContact O-CB 3.46Å; Q174-W178 PolarHBondContact O-N 3.25Å; K175-W178 PolarHBondContact O-N 3.4Å; S176-W178 VanDerWaalsContact C-N 3.32Å; S176-W178 PolarHBondContact O-N 3.32Å; W178-Q180 VanDerWaalsContact C-N 3.34Å; W178-Q180 PolarHBondContact O-N 2.91Å; W178-F181 PolarHBondContact O-N 2.89Å; W178-N182 VanDerWaalsContact O-CB 3.26Å; W178-N182 WeakPolarHBondContact O-CB 3.32Å; W178-N182 PolarHBondContact O-N 3.44Å
179Q81Confident78.8Confident91 Ų91113.8 Ų113.843%0.42554%0.54SS..Hα-helixtrans-61.9-40174.2-75.8178.6-8.200112.2K175 S176 N182 N183K175-Q179 WeakPolarHBondContact O-CB 3.46Å; K175-Q179 VanDerWaalsContact O-CG 3.28Å; K175-Q179 WeakPolarHBondContact O-CG 3.4Å; K175-Q179 PolarHBondContact O-N 3.32Å; S176-Q179 PolarHBondContact O-N 2.89Å; Q179-N182 PolarHBondContact O-N 3.18Å; Q179-N183 WeakPolarHBondContact O-CB 3.28Å; Q179-N183 PolarHBondContact O-N 3.47Å
180Q82.6Confident77.1Confident120 Ų120118 Ų11856%0.56156%0.557SS**Hα-helixtrans-67.2-41.2175.9-71.8171.736.900111.6S176 K177 W178 N182 N183 K184S176-Q180 WeakPolarHBondContact O-CB 3.34Å; S176-Q180 VanDerWaalsContact O-CG 3.24Å; S176-Q180 WeakPolarHBondContact O-CG 3.37Å; S176-Q180 PolarHBondContact O-N 3.47Å; S176-Q180 PolarHBondContact OG-NE2 2.88Å; S176-Q180 VanDerWaalsContact OG-NE2 3.1Å; K177-Q180 PolarHBondContact O-N 3.05Å; W178-Q180 VanDerWaalsContact C-N 3.34Å; W178-Q180 PolarHBondContact O-N 2.91Å; Q180-N182 VanDerWaalsContact C-N 3.35Å; Q180-N183 PolarHBondContact O-N 3.38Å; Q180-K184 WeakPolarHBondContact O-CB 3.47Å; Q180-K184 PolarHBondContact O-N 3.19Å
181F79.5Confident75.5Confident148 Ų148124 Ų12465%0.64958%0.581SS**Hα-helixtrans-59.2-47.3172.4175.2-99.2000111.2K177 W178 K184 A185K177-F181 WeakPolarHBondContact O-CB 3.43Å; K177-F181 PolarHBondContact O-N 2.98Å; W178-F181 PolarHBondContact O-N 2.89Å; F181-K184 PolarHBondContact O-N 3.31Å; F181-A185 WeakPolarHBondContact O-CB 3.46Å; F181-A185 PolarHBondContact O-N 2.79Å
182N76.2Confident73.9Confident43 Ų43119.6 Ų119.623%0.2358%0.581CS.*Hα-helixtrans-61.8-48.9177.8-168.254000111.8W178 Q179 Q180 K184 A185 Y186W178-N182 VanDerWaalsContact O-CB 3.26Å; W178-N182 WeakPolarHBondContact O-CB 3.32Å; W178-N182 PolarHBondContact O-N 3.44Å; Q179-N182 PolarHBondContact O-N 3.18Å; Q180-N182 VanDerWaalsContact C-N 3.35Å; N182-K184 PolarHBondContact O-N 2.86Å; N182-A185 WeakPolarHBondContact O-CB 3.36Å; N182-A185 PolarHBondContact O-N 2.89Å; N182-Y186 WeakPolarHBondContact ND2-CE2 3.42Å; N182-Y186 WeakPolarHBondContact O-CD2 2.97Å; N182-Y186 PolarHBondContact O-N 3.2Å; N182-Y186 WeakPolarHBondContact OD1-CE2 2.99Å
183N76.9Confident72.5Confident103 Ų103122.5 Ų122.555%0.55159%0.594SS**Hα-helixtrans-64.8-36.7177-76.9-9.4000112.5Q179 Q180 A185 Y186 S187Q179-N183 WeakPolarHBondContact O-CB 3.28Å; Q179-N183 PolarHBondContact O-N 3.47Å; Q180-N183 PolarHBondContact O-N 3.38Å; N183-A185 VanDerWaalsContact C-N 3.34Å; N183-Y186 PolarHBondContact O-N 2.84Å; N183-S187 WeakPolarHBondContact O-CB 3.47Å; N183-S187 PolarHBondContact O-N 2.76Å
184K75.8Confident70.8Confident146 Ų146121.7 Ų121.764%0.63560%0.597SS**Hα-helixtrans-68-35.1176.1-170.5172.3-176.6178.50111.7Q180 F181 N182Q180-K184 WeakPolarHBondContact O-CB 3.47Å; Q180-K184 PolarHBondContact O-N 3.19Å; F181-K184 PolarHBondContact O-N 3.31Å; N182-K184 PolarHBondContact O-N 2.86Å
185A62.3Low69.4Low60 Ų60125.1 Ų125.150%0.49661%0.61SS.*Hα-helixtrans-66.3-40.517200000111.9F181 N182 N183F181-A185 WeakPolarHBondContact O-CB 3.46Å; F181-A185 PolarHBondContact O-N 2.79Å; N182-A185 WeakPolarHBondContact O-CB 3.36Å; N182-A185 PolarHBondContact O-N 2.89Å; N183-A185 VanDerWaalsContact C-N 3.34Å
186Y60.3Low68.4Low112 Ų112129.2 Ų129.244%0.43962%0.622SS.*Hα-helixtrans-79.3-26.3178.2-66-53.5000115.1N182 N183 V194N182-Y186 WeakPolarHBondContact ND2-CE2 3.42Å; N182-Y186 WeakPolarHBondContact O-CD2 2.97Å; N182-Y186 PolarHBondContact O-N 3.2Å; N182-Y186 WeakPolarHBondContact OD1-CE2 2.99Å; N183-Y186 PolarHBondContact O-N 2.84Å; Y186-V194 HydrophobicContact CD1-CB 4.28Å; Y186-V194 HydrophobicContact CD1-CG1 4.42Å; Y186-V194 HydrophobicContact CD1-CG2 3.75Å; Y186-V194 HydrophobicContact CE1-CB 3.87Å; Y186-V194 HydrophobicContact CE1-CG1 3.54Å; Y186-V194 HydrophobicContact CE1-CG2 3.63Å
187S61.5Low67.1Low103 Ų103130.5 Ų130.572%0.7263%0.631SS**Hα-helixtrans-79.7-22.8-176.5-1790000113.5N183N183-S187 WeakPolarHBondContact O-CB 3.47Å; N183-S187 PolarHBondContact O-N 2.76Å
188K61.8Low65.4Low162 Ų162129.9 Ų129.970%0.70463%0.632SS**Hα-helixtrans-89.9-30.2-174.8-74-156.5174.2-168.20114.5
189N61Low64.1Low135 Ų135128.3 Ų128.372%0.72263%0.63SS**SBendtrans-139.1126.2178.6-84.510.6000112.3
190K54.2Low63.4Low185 Ų185126.5 Ų126.580%0.80463%0.63SS**  trans83.190.8166-61.6-176.9177-178.70117.4G192K190-G192 PolarHBondContact O-N 3.41Å
191K53Low62.3Low229 Ų229125.7 Ų125.7100%0.99664%0.638SS**SBendtrans-59.995.1149.9-158176.5-170.1179.30108.3
192G56.3Low61.6Low53 Ų53121.4 Ų121.455%0.54663%0.625SS.*SBendtrans132115.1172.900000113.4K190K190-G192 PolarHBondContact O-N 3.41Å
193Q58Low60.8Low183 Ų183128.5 Ų128.586%0.85566%0.657SS**  trans7088.5174.8-63.5-177.2-32.700117
194V54.7Low60.1Low95 Ų95127.3 Ų127.358%0.57666%0.657SS**  trans-133.3103.2141.6-167.70000108.5Y186Y186-V194 HydrophobicContact CD1-CB 4.28Å; Y186-V194 HydrophobicContact CD1-CG1 4.42Å; Y186-V194 HydrophobicContact CD1-CG2 3.75Å; Y186-V194 HydrophobicContact CE1-CB 3.87Å; Y186-V194 HydrophobicContact CE1-CG1 3.54Å; Y186-V194 HydrophobicContact CE1-CG2 3.63Å
195K59Low59.4Low193 Ų193127.3 Ų127.384%0.83967%0.668SS**PPolyproline II helixtrans-70.4137169.9-70.6177.7178178.80107.8
196R62.2Low59.2Low220 Ų220131.2 Ų131.283%0.8368%0.681SS**PPolyproline II helixtrans-48.8140-178-67.7-166.5158.6176.2-4.4111I198R196-I198 PolarHBondContact O-N 3.34Å
197S60.8Low59.2Low74 Ų74127.5 Ų127.552%0.51768%0.677SS.*PPolyproline II helixtrans-50.6132.6-177.4176.40000111.2F199 A200S197-F199 PolarHBondContact O-N 3.37Å; S197-F199 PolarHBondContact OG-N 2.91Å; S197-A200 VanDerWaalsContact O-CB 3.3Å; S197-A200 WeakPolarHBondContact O-CB 3.26Å; S197-A200 PolarHBondContact O-N 2.78Å
198I56.6Low59.1Low105 Ų105132.1 Ų132.154%0.53868%0.684SS.*THydrogen-bonded Turntrans-62.4-8.9175.759.6173.7000113.4R196R196-I198 PolarHBondContact O-N 3.34Å
199F52.6Low58.7Low135 Ų135128 Ų12859%0.59267%0.672SS**THydrogen-bonded Turntrans-109.26.8176-56.8-75.7000113.1S197S197-F199 PolarHBondContact O-N 3.37Å; S197-F199 PolarHBondContact OG-N 2.91Å
200A65.8Low58.4Low52 Ų52123.8 Ų123.843%0.4366%0.66SS.*SBendtrans-70.5132.6175.700000109.9S197 P202S197-A200 VanDerWaalsContact O-CB 3.3Å; S197-A200 WeakPolarHBondContact O-CB 3.26Å; S197-A200 PolarHBondContact O-N 2.78Å; A200-P202 WeakPolarHBondContact O-CD 3.33Å; A200-P202 VanDerWaalsContact O-N 3.16Å
201S60.4Low58.2Low104 Ų104122.1 Ų122.173%0.72767%0.665SS**PPolyproline II helixtrans-56.3122173-60.30000109.3
202P64.8Low58.1Low58 Ų58114.4 Ų114.438%0.37765%0.651SS.*PPolyproline II helixtrans-63.8147.9178.124-31.5000110.6A200 S204 G207A200-P202 WeakPolarHBondContact O-CD 3.33Å; A200-P202 VanDerWaalsContact O-N 3.16Å; P202-S204 PolarHBondContact O-N 3.29Å; P202-G207 WeakPolarHBondContact CG-O 3.24Å
203E59.3Low57.7Low191 Ų191116 Ų11689%0.89365%0.65SS**SBendtrans-75.2-6.5-176.9-158.2173.615300113
204S62.2Low57.2Low79 Ų79112 Ų11255%0.55264%0.641SS**SBendtrans-101.1141-179.3-178.80000111.7P202 N206 G207P202-S204 PolarHBondContact O-N 3.29Å; S204-N206 PolarHBondContact O-N 3.4Å; S204-G207 PolarHBondContact O-N 2.88Å
205V61.4Low57.2Low145 Ų145111.1 Ų111.188%0.87965%0.652SS**THydrogen-bonded Turntrans-60.5-18.3-176.386.40000114.1
206N57.3Low56.9Low143 Ų143106.4 Ų106.477%0.76564%0.635SS**THydrogen-bonded Turntrans-99.5-1.1178.6-86.851.7000114.1S204 K208S204-N206 PolarHBondContact O-N 3.4Å; N206-K208 PolarHBondContact O-N 2.81Å
207G61.1Low56.2Low34 Ų34100.4 Ų100.435%0.35163%0.632SS.*PPolyproline II helixtrans-79.6117.6-173.200000112.5P202 S204P202-G207 WeakPolarHBondContact CG-O 3.24Å; S204-G207 PolarHBondContact O-N 2.88Å
208K58.8Low55.7Low200 Ų200104.3 Ų104.387%0.8765%0.647SS**PPolyproline II helixtrans-93.9140.3172.5-80.4178.7174.3175.80111N206N206-K208 PolarHBondContact O-N 2.81Å
209V54Low55.5Low76 Ų76107.1 Ų107.146%0.46166%0.655SS.*PPolyproline II helixtrans-102.5125.7176.5-136.60000108.5
210G54.3Low55.7Low45 Ų45106 Ų10646%0.46466%0.662SS.*  trans175.8154.2-178.800000114.8G212G210-G212 PolarHBondContact O-N 3.46Å
211V49.1Very low55.2Low150 Ų150111.6 Ų111.691%0.90968%0.681SS**THydrogen-bonded Turntrans-59.3116.1-173.3-179.40000111.1
212G52.2Low55.4Low68 Ų68113 Ų11370%0.70169%0.686SS**THydrogen-bonded Turntrans138.8-20.9173.800000114.6G210G210-G212 PolarHBondContact O-N 3.46Å
213T47.8Very low55.1Low86 Ų86118.3 Ų118.353%0.52871%0.705SS.*  trans-106.777.3-179.361.10000110.7G215T213-G215 PolarHBondContact O-N 2.81Å
214C46.4Very low55.2Low98 Ų98118.6 Ų118.666%0.66270%0.7SS**SBendtrans-65.784.4161.6-175.40000108.7I216C214-I216 VanDerWaalsContact C-N 3.3Å; C214-I216 WeakPolarHBondContact O-CD1 3.44Å; C214-I216 WeakPolarHBondContact O-CG1 3.43Å; C214-I216 PolarHBondContact O-N 3.23Å; C214-I216 VanDerWaalsContact O-N 3.09Å
215G55Low55.3Low78 Ų78120.9 Ų120.980%0.80471%0.706SS**SBendtrans63.220.2164.400000117.4T213T213-G215 PolarHBondContact O-N 2.81Å
216I52.5Low55.2Low94 Ų94118.2 Ų118.248%0.48269%0.687SS.*  trans-123.782.4-179.6-55144.7000107.6C214 D218 K219C214-I216 VanDerWaalsContact C-N 3.3Å; C214-I216 WeakPolarHBondContact O-CD1 3.44Å; C214-I216 WeakPolarHBondContact O-CG1 3.43Å; C214-I216 PolarHBondContact O-N 3.23Å; C214-I216 VanDerWaalsContact O-N 3.09Å; I216-D218 PolarHBondContact O-N 3.1Å; I216-K219 HydrophobicContact CG2-CB 3.46Å; I216-K219 VanDerWaalsContact CG2-CB 3.46Å; I216-K219 HydrophobicContact CG2-CD 3.79Å; I216-K219 HydrophobicContact CG2-CG 3.52Å
217A47.7Very low55.4Low93 Ų93116 Ų11677%0.76968%0.678SS**THydrogen-bonded Turntrans-68-17.4-176.500000113.5
218D51Low55.4Low157 Ų157117.9 Ų117.984%0.8469%0.686SS**THydrogen-bonded Turntrans-125.610.6-167.4-58-50.3000115.5I216I216-D218 PolarHBondContact O-N 3.1Å
219K51.5Low55.3Low163 Ų163115.6 Ų115.671%0.70968%0.676SS**SBendtrans-110.9135.7173.5-62.3-175.6173.6-174.40111I216I216-K219 HydrophobicContact CG2-CB 3.46Å; I216-K219 VanDerWaalsContact CG2-CB 3.46Å; I216-K219 HydrophobicContact CG2-CD 3.79Å; I216-K219 HydrophobicContact CG2-CG 3.52Å
220P57.9Low55.5Low112 Ų112121.1 Ų121.173%0.72769%0.69SS**PPolyproline II helixtrans-63.7153.417428.4-34.1000110.7T222P220-T222 PolarHBondContact O-N 3.36Å
221M53.5Low55.8Low169 Ų169126.3 Ų126.383%0.83371%0.707SS**PPolyproline II helixtrans-48.2137.9174.2-169.6116.97000110.5Q223M221-Q223 PolarHBondContact O-N 2.94Å; M221-Q223 VanDerWaalsContact O-N 3.12Å
222T65.9Low56.1Low135 Ų135124.4 Ų124.483%0.82870%0.696SS**PPolyproline II helixtrans-50.8118.1-175.4490000111.2P220P220-T222 PolarHBondContact O-N 3.36Å
223Q58.9Low56.1Low169 Ų169131 Ų13179%0.7970%0.699SS**PPolyproline II helixtrans-72132.7175.1-70-169.20.700110.2M221 N225M221-Q223 PolarHBondContact O-N 2.94Å; M221-Q223 VanDerWaalsContact O-N 3.12Å; Q223-N225 PolarHBondContact O-N 3.31Å
224Y61.4Low56.3Low196 Ų196136.1 Ų136.177%0.76972%0.717SS**PPolyproline II helixtrans-68.8116174.2-176.3-95.9000109.3D226Y224-D226 HydrophobicContact CE1-CB 4.37Å
225N63.5Low56.7Low127 Ų127137.9 Ų137.968%0.67972%0.719SS**  trans-90.2109.8171.2-81.1-51.9000108.8Q223 T227Q223-N225 PolarHBondContact O-N 3.31Å; N225-T227 PolarHBondContact O-N 3.01Å
226D59.3Low56.2Low90 Ų90142.5 Ų142.548%0.48172%0.722SS.*  trans-61.4122.6174.5-176.910000110.5Y224 S228 K229Y224-D226 HydrophobicContact CE1-CB 4.37Å; D226-S228 VanDerWaalsContact C-N 3.3Å; D226-S228 VanDerWaalsContact OD1-CB 3.28Å; D226-S228 WeakPolarHBondContact OD1-CB 3.18Å; D226-S228 PolarHBondContact OD1-N 2.81Å; D226-S228 PolarHBondContact OD1-OG 3.32Å; D226-S228 WeakPolarHBondContact OD2-CB 3.13Å; D226-S228 PolarHBondContact OD2-OG 3.44Å; D226-K229 WeakPolarHBondContact O-CE 3.46Å
227T61Low56.5Low96 Ų96143.9 Ų143.959%0.58974%0.737SS**  trans-89.910-178.953.50000112.9N225 K229 Y230N225-T227 PolarHBondContact O-N 3.01Å; T227-K229 PolarHBondContact O-N 2.84Å; T227-Y230 PolarHBondContact O-N 3.49Å
228S61.2Low56.6Low74 Ų74151.8 Ų151.852%0.51776%0.758SS.*G310 helixtrans-52.3-13.8177.454.30000115.6D226 Y230D226-S228 VanDerWaalsContact C-N 3.3Å; D226-S228 VanDerWaalsContact OD1-CB 3.28Å; D226-S228 WeakPolarHBondContact OD1-CB 3.18Å; D226-S228 PolarHBondContact OD1-N 2.81Å; D226-S228 PolarHBondContact OD1-OG 3.32Å; D226-S228 WeakPolarHBondContact OD2-CB 3.13Å; D226-S228 PolarHBondContact OD2-OG 3.44Å; S228-Y230 VanDerWaalsContact C-N 3.31Å; S228-Y230 PolarHBondContact O-N 3.25Å
229K57.8Low56.9Low152 Ų152151.6 Ų151.666%0.66175%0.754SS**G310 helixtrans-71.5-14179.1-13.6-175.6-172.9-174.70114.9D226 T227D226-K229 WeakPolarHBondContact O-CE 3.46Å; T227-K229 PolarHBondContact O-N 2.84Å
230Y58Low57.2Low191 Ų191150.9 Ų150.975%0.74976%0.756SS**G310 helixtrans-101.2-0.9-175.2-63.1-75.1000115.1T227 S228 V232T227-Y230 PolarHBondContact O-N 3.49Å; S228-Y230 VanDerWaalsContact C-N 3.31Å; S228-Y230 PolarHBondContact O-N 3.25Å; Y230-V232 PolarHBondContact O-N 3.04Å
231N61.2Low57.1Low154 Ų154153.1 Ų153.182%0.82476%0.758SS**  trans-92.867.1176.4-81.4-14.7000111.5
232V54.9Low57.3Low110 Ų110152.2 Ų152.267%0.66775%0.753SS**  trans-111.198.4169.2-165.10000109.8Y230Y230-V232 PolarHBondContact O-N 3.04Å
233R52.4Low56.8Low207 Ų207153.3 Ų153.378%0.78175%0.749SS**  trans48.8110.7141.7-61.7175.7173.9151.1-1.2118.3L235R233-L235 HydrophobicContact CB-CD1 3.97Å; R233-L235 HydrophobicContact CG-CD1 4.08Å
234H51.1Low56.7Low193 Ų193152.2 Ų152.289%0.89475%0.746SS**  trans-96.999.9140.3-135.569.3000107.9
235L55.4Low56.3Low136 Ų136149.1 Ų149.171%0.71274%0.744SS**PPolyproline II helixtrans-75.5120.2163.3-104.771.6000107.1R233R233-L235 HydrophobicContact CB-CD1 3.97Å; R233-L235 HydrophobicContact CG-CD1 4.08Å
236M44.5Very low55.8Low175 Ų175150.8 Ų150.886%0.86275%0.75SS**PPolyproline II helixtrans-81.2131.7163.8-67-179.590.300108.9
237P58.4Low55.5Low122 Ų122155.8 Ų155.879%0.79277%0.772SS**PPolyproline II helixtrans-87.1148.1159.226.7-14.6000110.7
238Q49.5Very low55Low260 Ų260161.3 Ų161.3100%1.21579%0.788SS**  trans-640170.9-72.6-89.92.300111.7

Retrieved 238 of 238 residues in 93.9 ms (Link to these results)

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