A0A5K4FD14_SCHMA Loading...

Fibrinogen and fibronectin

AlphaFold DB , UniProt , Accession A0A5K4FD14, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 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
1M45.5Very low62Low213 Ų213117.1 Ų117.1100%1.04962%0.617SS**  070.60-169.7176.356.600109.3
2I52.9Low63.4Low169 Ų169115.1 Ų115.187%0.86762%0.62SS**  trans-134.166.1-179.2-53.2172.7000108.3
3I54.1Low64.6Low42 Ų42113.8 Ų113.822%0.21560%0.602CS.*  trans-135.8-1.7170.1-45.6169.4000111.2N5 A6 I18I3-N5 PolarHBondContact O-N 3.14Å; I3-N5 VanDerWaalsContact O-N 3.07Å; I3-A6 HydrophobicContact CG2-CB 3.62Å; I3-A6 WeakPolarHBondContact O-CB 3.31Å; I3-A6 PolarHBondContact O-N 3.5Å; I3-I18 HydrophobicContact CD1-CD1 3.34Å; I3-I18 HydrophobicContact CD1-CG1 4.41Å; I3-I18 HydrophobicContact CG1-CD1 3.66Å; I3-I18 HydrophobicContact CG2-CD1 4.42Å
4Q57.8Low65.9Low161 Ų161110.9 Ų110.975%0.75259%0.591SS**THydrogen-bonded Turntrans-63-22.1-176.1-72-176.2-13.100114.4
5N64.4Low67.1Low166 Ų166107.8 Ų107.889%0.88858%0.582SS**THydrogen-bonded Turntrans-111.117.3178.6-63.7-18.1000112.8I3I3-N5 PolarHBondContact O-N 3.14Å; I3-N5 VanDerWaalsContact O-N 3.07Å
6A60.1Low68.3Low24 Ų24107.9 Ų107.920%0.19858%0.582CS.*SBendtrans-77.9142.2176.700000109.7I3 L10I3-A6 HydrophobicContact CG2-CB 3.62Å; I3-A6 WeakPolarHBondContact O-CB 3.31Å; I3-A6 PolarHBondContact O-N 3.5Å; A6-L10 HydrophobicContact CB-CB 3.62Å; A6-L10 HydrophobicContact CB-CD1 3.95Å; A6-L10 HydrophobicContact CB-CG 4.44Å
7P69Low69.5Low83 Ų83104.5 Ų104.554%0.53956%0.563SS.*  trans-48.5148.3173.414.7-29.3000111.6D9 L10P7-D9 PolarHBondContact O-N 3.04Å; P7-L10 HydrophobicContact CG-CD1 3.83Å; P7-L10 HydrophobicContact CG-CG 4.25Å; P7-L10 WeakPolarHBondContact O-CA 3.26Å; P7-L10 WeakPolarHBondContact O-CB 3.31Å; P7-L10 PolarHBondContact O-N 2.87Å
8N70.3Confident70.4Confident136 Ų136101.3 Ų101.373%0.72755%0.546SS*.Hα-helixtrans-49-33.2-171.5-77.5-14.7000114.1L10 L11N8-L10 PolarHBondContact O-N 3.45Å; N8-L11 WeakPolarHBondContact O-CB 3.13Å; N8-L11 PolarHBondContact O-N 3.04Å; N8-L11 WeakPolarHBondContact OD1-CD1 3.33Å
9D71.5Confident71.4Confident134 Ų134102.4 Ų102.472%0.71755%0.545SS*.Hα-helixtrans-59.7-33.2176.9-56-29000112.6P7 S12 Y13P7-D9 PolarHBondContact O-N 3.04Å; D9-S12 PolarHBondContact O-OG 3.36Å; D9-Y13 WeakPolarHBondContact O-CD2 3.21Å; D9-Y13 VanDerWaalsContact O-CE2 3.24Å; D9-Y13 WeakPolarHBondContact O-CE2 3.32Å
10L66.6Low72.5Confident64 Ų64104 Ų10434%0.33555%0.547SS..Hα-helixtrans-84.3-17.4179.9-67.8177.4000113.8A6 P7 N8 S12 Y13A6-L10 HydrophobicContact CB-CB 3.62Å; A6-L10 HydrophobicContact CB-CD1 3.95Å; A6-L10 HydrophobicContact CB-CG 4.44Å; P7-L10 HydrophobicContact CG-CD1 3.83Å; P7-L10 HydrophobicContact CG-CG 4.25Å; P7-L10 WeakPolarHBondContact O-CA 3.26Å; P7-L10 WeakPolarHBondContact O-CB 3.31Å; P7-L10 PolarHBondContact O-N 2.87Å; N8-L10 PolarHBondContact O-N 3.45Å; L10-S12 PolarHBondContact O-N 3.29Å; L10-Y13 HydrophobicContact CD2-CD2 4.17Å; L10-Y13 HydrophobicContact CD2-CE2 4.36Å; L10-Y13 WeakPolarHBondContact O-CB 3.15Å; L10-Y13 PolarHBondContact O-N 3.44Å
11L69.7Low73.4Confident96 Ų96103.2 Ų103.250%0.50354%0.542SS..Hα-helixtrans-64.1-24.1179.2-67.4174.5000112.5N8 Y13N8-L11 WeakPolarHBondContact O-CB 3.13Å; N8-L11 PolarHBondContact O-N 3.04Å; N8-L11 WeakPolarHBondContact OD1-CD1 3.33Å; L11-Y13 VanDerWaalsContact C-N 3.29Å
12S78.4Confident75.6Confident93 Ų9396.7 Ų96.765%0.6551%0.51SS*.THydrogen-bonded Turntrans-75.3-16.2175.666.40000113.8D9 L10D9-S12 PolarHBondContact O-OG 3.36Å; L10-S12 PolarHBondContact O-N 3.29Å
13Y79.1Confident77.6Confident98 Ų9893.5 Ų93.538%0.38449%0.491SS..SBendtrans-86.2126.7-176.9-70.5-100000110D9 L10 L11 D17 M21D9-Y13 WeakPolarHBondContact O-CD2 3.21Å; D9-Y13 VanDerWaalsContact O-CE2 3.24Å; D9-Y13 WeakPolarHBondContact O-CE2 3.32Å; L10-Y13 HydrophobicContact CD2-CD2 4.17Å; L10-Y13 HydrophobicContact CD2-CE2 4.36Å; L10-Y13 WeakPolarHBondContact O-CB 3.15Å; L10-Y13 PolarHBondContact O-N 3.44Å; L11-Y13 VanDerWaalsContact C-N 3.29Å; Y13-D17 HydrophobicContact CD1-CB 3.73Å; Y13-D17 HydrophobicContact CG-CB 4.42Å; Y13-M21 HydrophobicContact CD1-SD 4.08Å; Y13-M21 HydrophobicContact CE1-SD 4.03Å
14T82.7Confident79.5Confident73 Ų7396.8 Ų96.845%0.44851%0.509SS..  trans-71.1160.9172.268.30000110N16 D17 I18T14-N16 PolarHBondContact O-N 2.9Å; T14-N16 VanDerWaalsContact O-N 3.11Å; T14-N16 PolarHBondContact OG1-N 3.32Å; T14-D17 WeakPolarHBondContact CB-OD2 3.46Å; T14-D17 PolarHBondContact N-OD2 3.27Å; T14-D17 PolarHBondContact O-N 3.49Å; T14-D17 PolarHBondContact OG1-N 2.65Å; T14-D17 PolarHBondContact OG1-OD2 3.49Å; T14-I18 PolarHBondContact O-N 2.86Å; T14-I18 VanDerWaalsContact O-N 3.15Å
15S84Confident81.1Confident65 Ų6593.9 Ų93.946%0.45550%0.502SS..Hα-helixtrans-53.7-34.1172.2-167.90000111.6I18 F19S15-I18 PolarHBondContact O-N 2.86Å; S15-F19 WeakPolarHBondContact O-CD2 3.38Å; S15-F19 PolarHBondContact O-N 3.43Å; S15-F19 VanDerWaalsContact OG-CE2 3.24Å; S15-F19 WeakPolarHBondContact OG-CE2 3.36Å
16N87.5Confident82.6Confident110 Ų11091.2 Ų91.259%0.58848%0.483SS*.Hα-helixtrans-65.7-37176.5-70.5-18.3000112.2T14 F19 K20T14-N16 PolarHBondContact O-N 2.9Å; T14-N16 VanDerWaalsContact O-N 3.11Å; T14-N16 PolarHBondContact OG1-N 3.32Å; N16-F19 PolarHBondContact O-N 3.05Å; N16-K20 VanDerWaalsContact O-CG 3.27Å; N16-K20 WeakPolarHBondContact O-CG 3.48Å; N16-K20 PolarHBondContact O-N 2.84Å
17D87.8Confident84.2Confident49 Ų4994.4 Ų94.426%0.26249%0.493SS..Hα-helixtrans-68.3-40.7177.3-55.6-46.1000111Y13 T14 K20 M21Y13-D17 HydrophobicContact CD1-CB 3.73Å; Y13-D17 HydrophobicContact CG-CB 4.42Å; T14-D17 WeakPolarHBondContact CB-OD2 3.46Å; T14-D17 PolarHBondContact N-OD2 3.27Å; T14-D17 PolarHBondContact O-N 3.49Å; T14-D17 PolarHBondContact OG1-N 2.65Å; T14-D17 PolarHBondContact OG1-OD2 3.49Å; D17-K20 WeakPolarHBondContact O-CB 3.32Å; D17-K20 PolarHBondContact O-N 3.37Å; D17-M21 VanDerWaalsContact O-CG 3.3Å; D17-M21 WeakPolarHBondContact O-CG 3.42Å; D17-M21 PolarHBondContact O-N 2.94Å
18I86.4Confident85.2Confident48 Ų4893 Ų9325%0.24649%0.489CS..Hα-helixtrans-62.8-46173.7-61.5-174.7000111I3 T14 S15 K20 M21 I22I3-I18 HydrophobicContact CD1-CD1 3.34Å; I3-I18 HydrophobicContact CD1-CG1 4.41Å; I3-I18 HydrophobicContact CG1-CD1 3.66Å; I3-I18 HydrophobicContact CG2-CD1 4.42Å; T14-I18 PolarHBondContact O-N 2.86Å; T14-I18 VanDerWaalsContact O-N 3.15Å; S15-I18 PolarHBondContact O-N 2.86Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 3.05Å; I18-M21 PolarHBondContact O-N 2.74Å; I18-M21 VanDerWaalsContact O-N 3.16Å; I18-I22 HydrophobicContact CG2-CD1 3.88Å; I18-I22 HydrophobicContact CG2-CG1 4.37Å; I18-I22 WeakPolarHBondContact O-CG1 3.38Å; I18-I22 PolarHBondContact O-N 3.29Å
19F89.3Confident86.1Confident122 Ų12292.3 Ų92.354%0.53549%0.485SS..Hα-helixtrans-58.6-43.6176.2-80.4-61.6000111.3S15 N16 M21 I22 E23S15-F19 WeakPolarHBondContact O-CD2 3.38Å; S15-F19 PolarHBondContact O-N 3.43Å; S15-F19 VanDerWaalsContact OG-CE2 3.24Å; S15-F19 WeakPolarHBondContact OG-CE2 3.36Å; N16-F19 PolarHBondContact O-N 3.05Å; F19-M21 PolarHBondContact O-N 3.37Å; F19-I22 PolarHBondContact O-N 2.79Å; F19-E23 WeakPolarHBondContact O-CG 3.33Å; F19-E23 PolarHBondContact O-N 3.36Å
20K92.4Very high87.1Confident133 Ų13391.3 Ų91.358%0.57848%0.484SS*.Hα-helixtrans-59.7-44.9173.8-73170.3-175.7172.90112.2N16 D17 I18 I22 E23 L24N16-K20 VanDerWaalsContact O-CG 3.27Å; N16-K20 WeakPolarHBondContact O-CG 3.48Å; N16-K20 PolarHBondContact O-N 2.84Å; D17-K20 WeakPolarHBondContact O-CB 3.32Å; D17-K20 PolarHBondContact O-N 3.37Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 3.05Å; K20-I22 PolarHBondContact O-N 2.93Å; K20-E23 PolarHBondContact O-N 3.14Å; K20-L24 VanDerWaalsContact O-CG 3.3Å; K20-L24 WeakPolarHBondContact O-CG 3.5Å; K20-L24 PolarHBondContact O-N 3.45Å
21M91.4Very high88.2Confident89 Ų8994.8 Ų94.844%0.43850%0.496SS..Hα-helixtrans-61.7-43.5177.7-70.617578.700111.9Y13 D17 I18 F19 E23 L24 V25Y13-M21 HydrophobicContact CD1-SD 4.08Å; Y13-M21 HydrophobicContact CE1-SD 4.03Å; D17-M21 VanDerWaalsContact O-CG 3.3Å; D17-M21 WeakPolarHBondContact O-CG 3.42Å; D17-M21 PolarHBondContact O-N 2.94Å; I18-M21 PolarHBondContact O-N 2.74Å; I18-M21 VanDerWaalsContact O-N 3.16Å; F19-M21 PolarHBondContact O-N 3.37Å; M21-E23 VanDerWaalsContact C-N 3.34Å; M21-E23 PolarHBondContact O-N 2.95Å; M21-L24 PolarHBondContact O-N 3.48Å; M21-V25 WeakPolarHBondContact O-CG2 3.38Å; M21-V25 PolarHBondContact O-N 3.35Å
22I92.1Very high89.2Confident76 Ų7694 Ų9439%0.3949%0.492SS..Hα-helixtrans-60.7-45.6176.2-69.9169.8000110.4I18 F19 K20 V25 K26I18-I22 HydrophobicContact CG2-CD1 3.88Å; I18-I22 HydrophobicContact CG2-CG1 4.37Å; I18-I22 WeakPolarHBondContact O-CG1 3.38Å; I18-I22 PolarHBondContact O-N 3.29Å; F19-I22 PolarHBondContact O-N 2.79Å; K20-I22 PolarHBondContact O-N 2.93Å; I22-V25 PolarHBondContact O-N 2.87Å; I22-K26 HydrophobicContact CG2-CD 4.3Å; I22-K26 HydrophobicContact CG2-CG 4.48Å; I22-K26 WeakPolarHBondContact O-CG 3.36Å; I22-K26 PolarHBondContact O-N 3.12Å
23E94.8Very high89.9Confident101 Ų10193.4 Ų93.447%0.47248%0.484SS..Hα-helixtrans-63.7-40.3177.8-69.2-55.1120.300111.8F19 K20 M21 V25 K26 E27F19-E23 WeakPolarHBondContact O-CG 3.33Å; F19-E23 PolarHBondContact O-N 3.36Å; K20-E23 PolarHBondContact O-N 3.14Å; M21-E23 VanDerWaalsContact C-N 3.34Å; M21-E23 PolarHBondContact O-N 2.95Å; E23-V25 PolarHBondContact O-N 3.37Å; E23-K26 PolarHBondContact O-N 3.03Å; E23-K26 IonicContact OE1-NZ 2.79Å; E23-K26 PolarHBondContact OE1-NZ 2.97Å; E23-E27 WeakPolarHBondContact O-CB 3.39Å; E23-E27 PolarHBondContact O-N 2.93Å
24L93.8Very high90.5Very high111 Ų11194.9 Ų94.958%0.58150%0.504SS*.Hα-helixtrans-61.4-41173.3-72.1171.9000112.5K20 M21 E27 A28K20-L24 VanDerWaalsContact O-CG 3.3Å; K20-L24 WeakPolarHBondContact O-CG 3.5Å; K20-L24 PolarHBondContact O-N 3.45Å; M21-L24 PolarHBondContact O-N 3.48Å; L24-E27 PolarHBondContact O-N 3.19Å; L24-A28 WeakPolarHBondContact O-CB 3.41Å; L24-A28 PolarHBondContact O-N 3.27Å
25V92.8Very high90.9Very high101 Ų10194.8 Ų94.861%0.61251%0.506SS*.Hα-helixtrans-67.3-43.2176.9171.20000111M21 I22 E23 E27 A28 L29M21-V25 WeakPolarHBondContact O-CG2 3.38Å; M21-V25 PolarHBondContact O-N 3.35Å; I22-V25 PolarHBondContact O-N 2.87Å; E23-V25 PolarHBondContact O-N 3.37Å; V25-E27 VanDerWaalsContact C-N 3.32Å; V25-E27 PolarHBondContact O-N 3.48Å; V25-A28 PolarHBondContact O-N 3.18Å; V25-L29 WeakPolarHBondContact O-CB 2.76Å; V25-L29 PolarHBondContact O-N 3.04Å
26K94.2Very high91.2Very high110 Ų11093.1 Ų93.148%0.47849%0.494SS..Hα-helixtrans-60.7-43.6174.4-74.2178-173.4165.60111.1I22 E23 L29 T30I22-K26 HydrophobicContact CG2-CD 4.3Å; I22-K26 HydrophobicContact CG2-CG 4.48Å; I22-K26 WeakPolarHBondContact O-CG 3.36Å; I22-K26 PolarHBondContact O-N 3.12Å; E23-K26 PolarHBondContact O-N 3.03Å; E23-K26 IonicContact OE1-NZ 2.79Å; E23-K26 PolarHBondContact OE1-NZ 2.97Å; K26-L29 WeakPolarHBondContact O-CB 3.13Å; K26-L29 PolarHBondContact O-N 3.12Å; K26-T30 WeakPolarHBondContact O-CG2 3.43Å; K26-T30 PolarHBondContact O-N 2.85Å; K26-T30 PolarHBondContact O-OG1 3.42Å
27E94.3Very high91.4Very high90 Ų9092.3 Ų92.342%0.42149%0.49SS..Hα-helixtrans-63.7-40.8176.8-170.2-172.5167.900112E23 L24 V25 L29 T30 K31E23-E27 WeakPolarHBondContact O-CB 3.39Å; E23-E27 PolarHBondContact O-N 2.93Å; L24-E27 PolarHBondContact O-N 3.19Å; V25-E27 VanDerWaalsContact C-N 3.32Å; V25-E27 PolarHBondContact O-N 3.48Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 PolarHBondContact O-N 3.34Å; E27-T30 PolarHBondContact O-N 2.91Å; E27-T30 PolarHBondContact O-OG1 3.25Å; E27-K31 WeakPolarHBondContact O-CG 3.4Å; E27-K31 PolarHBondContact O-N 3.34Å; E27-K31 WeakPolarHBondContact OE1-CE 3.3Å; E27-K31 IonicContact OE1-NZ 2.62Å; E27-K31 PolarHBondContact OE1-NZ 3.46Å
28A89.4Confident91.6Very high54 Ų5493 Ų9345%0.44650%0.498SS..Hα-helixtrans-62.9-41.117400000111.2L24 V25 K31 L32L24-A28 WeakPolarHBondContact O-CB 3.41Å; L24-A28 PolarHBondContact O-N 3.27Å; V25-A28 PolarHBondContact O-N 3.18Å; A28-K31 PolarHBondContact O-N 3.33Å; A28-L32 WeakPolarHBondContact O-CG 3.29Å; A28-L32 PolarHBondContact O-N 3.2Å; A28-L32 VanDerWaalsContact O-N 3.11Å
29L90.1Very high91.7Very high122 Ų12294.9 Ų94.964%0.63951%0.506SS*.Hα-helixtrans-65.2-40178.8-170.468000112.2V25 K26 E27 K31 L32V25-L29 WeakPolarHBondContact O-CB 2.76Å; V25-L29 PolarHBondContact O-N 3.04Å; K26-L29 WeakPolarHBondContact O-CB 3.13Å; K26-L29 PolarHBondContact O-N 3.12Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 PolarHBondContact O-N 3.34Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 3.06Å; L29-L32 HydrophobicContact CD1-CD1 4.38Å; L29-L32 PolarHBondContact O-N 2.94Å
30T91.7Very high91.7Very high113 Ų11393.3 Ų93.369%0.69350%0.503SS*.Hα-helixtrans-69-25.6177.2570000112.9K26 E27K26-T30 WeakPolarHBondContact O-CG2 3.43Å; K26-T30 PolarHBondContact O-N 2.85Å; K26-T30 PolarHBondContact O-OG1 3.42Å; E27-T30 PolarHBondContact O-N 2.91Å; E27-T30 PolarHBondContact O-OG1 3.25Å
31K90.7Very high91.7Very high137 Ų13790.9 Ų90.960%0.59649%0.494SS*.Hα-helixtrans-84.9-13.9174.6-68176.2-173.6172.60113.5E27 A28 L29 T33E27-K31 WeakPolarHBondContact O-CG 3.4Å; E27-K31 PolarHBondContact O-N 3.34Å; E27-K31 WeakPolarHBondContact OE1-CE 3.3Å; E27-K31 IonicContact OE1-NZ 2.62Å; E27-K31 PolarHBondContact OE1-NZ 3.46Å; A28-K31 PolarHBondContact O-N 3.33Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 3.06Å; K31-T33 PolarHBondContact O-N 2.57Å
32L90.5Very high91.7Very high80 Ų8088.8 Ų88.842%0.41948%0.484SS..  trans-73.6112.7175.4-81.2169.1000110A28 L29 L40A28-L32 WeakPolarHBondContact O-CG 3.29Å; A28-L32 PolarHBondContact O-N 3.2Å; A28-L32 VanDerWaalsContact O-N 3.11Å; L29-L32 HydrophobicContact CD1-CD1 4.38Å; L29-L32 PolarHBondContact O-N 2.94Å; L32-L40 HydrophobicContact CD2-CD1 4.04Å
33T92.1Very high91.6Very high80 Ų8088.5 Ų88.549%0.49148%0.482SS..  trans-105.7162.6171.262.40000108.9K31 S35 S36 L37K31-T33 PolarHBondContact O-N 2.57Å; T33-S35 PolarHBondContact O-N 3.38Å; T33-S35 VanDerWaalsContact O-N 3.13Å; T33-S36 PolarHBondContact N-OG 2.97Å; T33-S36 PolarHBondContact O-N 3.06Å; T33-S36 VanDerWaalsContact O-N 3.12Å; T33-S36 PolarHBondContact O-OG 3.45Å; T33-S36 PolarHBondContact OG1-N 3.26Å; T33-S36 VanDerWaalsContact OG1-N 3.15Å; T33-S36 PolarHBondContact OG1-OG 3.22Å; T33-L37 PolarHBondContact O-N 3.47Å
34T91.6Very high91.4Very high129 Ų12993.4 Ų93.479%0.79150%0.497SS*.Hα-helixtrans-54.1-34.1172.4-47.50000111.8S38T34-S38 WeakPolarHBondContact O-CB 3.33Å; T34-S38 PolarHBondContact O-N 3.3Å
35S92.5Very high91.3Very high71 Ų7192.8 Ų92.850%0.49750%0.497SS..Hα-helixtrans-67.1-50.2175.8-1790000112.3T33 L37 S38 Q39T33-S35 PolarHBondContact O-N 3.38Å; T33-S35 VanDerWaalsContact O-N 3.13Å; S35-L37 VanDerWaalsContact C-N 3.32Å; S35-L37 PolarHBondContact O-N 2.88Å; S35-S38 PolarHBondContact O-N 3.26Å; S35-Q39 WeakPolarHBondContact O-CG 3.45Å; S35-Q39 PolarHBondContact O-N 2.99Å
36S90.7Very high91.1Very high30 Ų3094.8 Ų94.821%0.2149%0.494CS..Hα-helixtrans-66-36.3179.959.90000111.8T33 Q39 L40T33-S36 PolarHBondContact N-OG 2.97Å; T33-S36 PolarHBondContact O-N 3.06Å; T33-S36 VanDerWaalsContact O-N 3.12Å; T33-S36 PolarHBondContact O-OG 3.45Å; T33-S36 PolarHBondContact OG1-N 3.26Å; T33-S36 VanDerWaalsContact OG1-N 3.15Å; T33-S36 PolarHBondContact OG1-OG 3.22Å; S36-Q39 PolarHBondContact O-N 3.33Å; S36-L40 VanDerWaalsContact O-CG 3.3Å; S36-L40 WeakPolarHBondContact O-CG 3.4Å; S36-L40 PolarHBondContact O-N 2.9Å
37L90.6Very high90.7Very high93 Ų9397.3 Ų97.349%0.48751%0.511SS..Hα-helixtrans-62.5-45.4173.2-172.965.9000111.9T33 S35 Q39 L40 M41T33-L37 PolarHBondContact O-N 3.47Å; S35-L37 VanDerWaalsContact C-N 3.32Å; S35-L37 PolarHBondContact O-N 2.88Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 2.82Å; L37-L40 PolarHBondContact O-N 2.87Å; L37-M41 WeakPolarHBondContact O-CG 3.38Å; L37-M41 PolarHBondContact O-N 2.95Å
38S92Very high90.5Very high64 Ų6494.4 Ų94.445%0.44851%0.505SS..Hα-helixtrans-59.5-42.2175.7179.90000111.9T34 S35 M41 M42T34-S38 WeakPolarHBondContact O-CB 3.33Å; T34-S38 PolarHBondContact O-N 3.3Å; S35-S38 PolarHBondContact O-N 3.26Å; S38-M41 PolarHBondContact O-N 3.4Å; S38-M42 WeakPolarHBondContact O-CG 3.45Å; S38-M42 PolarHBondContact O-N 2.92Å
39Q89.3Confident90.7Very high87 Ų8793.5 Ų93.541%0.40749%0.49SS..Hα-helixtrans-64.2-44.7175.7-69.9174.82.600112.3S35 S36 L37 M41 M42 I43S35-Q39 WeakPolarHBondContact O-CG 3.45Å; S35-Q39 PolarHBondContact O-N 2.99Å; S36-Q39 PolarHBondContact O-N 3.33Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 2.82Å; Q39-M41 VanDerWaalsContact C-N 3.3Å; Q39-M41 PolarHBondContact O-N 2.68Å; Q39-M42 HydrophobicContact CG-CE 4.22Å; Q39-M42 PolarHBondContact O-N 3.5Å; Q39-M42 VanDerWaalsContact O-N 3.14Å; Q39-I43 VanDerWaalsContact O-CG1 3.32Å; Q39-I43 WeakPolarHBondContact O-CG1 3.3Å; Q39-I43 PolarHBondContact O-N 3.43Å
40L88.8Confident90.7Very high88 Ų8892 Ų9246%0.46148%0.483SS..Hα-helixtrans-60.6-40.5175.2-71.7172.1000111.5L32 S36 L37 I43 R44L32-L40 HydrophobicContact CD2-CD1 4.04Å; S36-L40 VanDerWaalsContact O-CG 3.3Å; S36-L40 WeakPolarHBondContact O-CG 3.4Å; S36-L40 PolarHBondContact O-N 2.9Å; L37-L40 PolarHBondContact O-N 2.87Å; L40-I43 PolarHBondContact O-N 2.95Å; L40-R44 WeakPolarHBondContact O-CB 3.43Å; L40-R44 PolarHBondContact O-N 3.47Å
41M92Very high90.7Very high82 Ų8291.1 Ų91.140%0.40447%0.474SS..Hα-helixtrans-64.2-40.7173.8-70.2-57.110000111.8L37 S38 Q39 R44 T45L37-M41 WeakPolarHBondContact O-CG 3.38Å; L37-M41 PolarHBondContact O-N 2.95Å; S38-M41 PolarHBondContact O-N 3.4Å; Q39-M41 VanDerWaalsContact C-N 3.3Å; Q39-M41 PolarHBondContact O-N 2.68Å; M41-R44 PolarHBondContact O-N 3.22Å; M41-T45 WeakPolarHBondContact O-CB 3.5Å; M41-T45 WeakPolarHBondContact O-CG2 3.3Å; M41-T45 PolarHBondContact O-N 3.29Å; M41-T45 PolarHBondContact O-OG1 3.3Å
42M92.5Very high90.8Very high46 Ų4691.7 Ų91.723%0.22747%0.472CS..Hα-helixtrans-63.8-41.7174.4-74.5-166.8-73.900112.3S38 Q39 R44 T45 R46 Y49S38-M42 WeakPolarHBondContact O-CG 3.45Å; S38-M42 PolarHBondContact O-N 2.92Å; Q39-M42 HydrophobicContact CG-CE 4.22Å; Q39-M42 PolarHBondContact O-N 3.5Å; Q39-M42 VanDerWaalsContact O-N 3.14Å; M42-R44 VanDerWaalsContact C-N 3.33Å; M42-R44 PolarHBondContact O-N 2.93Å; M42-T45 PolarHBondContact O-N 3.11Å; M42-R46 WeakPolarHBondContact O-CB 3.33Å; M42-R46 PolarHBondContact O-N 2.98Å; M42-Y49 HydrophobicContact CB-CD1 3.54Å; M42-Y49 HydrophobicContact CB-CD2 4.15Å; M42-Y49 HydrophobicContact CB-CE1 3.58Å; M42-Y49 HydrophobicContact CB-CE2 4.2Å; M42-Y49 HydrophobicContact CB-CG 3.84Å; M42-Y49 HydrophobicContact CE-CE1 4.16Å; M42-Y49 HydrophobicContact CE-CE2 3.75Å; M42-Y49 VanDerWaalsContact CE-CZ 3.46Å; M42-Y49 VanDerWaalsContact CE-OH 3.24Å; M42-Y49 WeakPolarHBondContact CE-OH 3.3Å; M42-Y49 HydrophobicContact SD-CD2 4.11Å; M42-Y49 HydrophobicContact SD-CE2 3.68Å
43I90.2Very high90.9Very high69 Ų6990.1 Ų90.135%0.35446%0.464SS..Hα-helixtrans-60.3-44.7175.1-67.1166.6000110.2Q39 L40 Y49 L53Q39-I43 VanDerWaalsContact O-CG1 3.32Å; Q39-I43 WeakPolarHBondContact O-CG1 3.3Å; Q39-I43 PolarHBondContact O-N 3.43Å; L40-I43 PolarHBondContact O-N 2.95Å; I43-Y49 HydrophobicContact CB-CD1 4.46Å; I43-Y49 HydrophobicContact CG1-CD1 3.69Å; I43-Y49 HydrophobicContact CG1-CE1 3.79Å; I43-L53 HydrophobicContact CG1-CD1 4.42Å
44R88.8Confident91Very high205 Ų20589.3 Ų89.377%0.77446%0.459SS*.Hα-helixtrans-67.6-40.3-179.8-176.9-180179.6-175.21.4113.3L40 M41 M42L40-R44 WeakPolarHBondContact O-CB 3.43Å; L40-R44 PolarHBondContact O-N 3.47Å; M41-R44 PolarHBondContact O-N 3.22Å; M42-R44 VanDerWaalsContact C-N 3.33Å; M42-R44 PolarHBondContact O-N 2.93Å
45T92.1Very high91.2Very high97 Ų9788.1 Ų88.160%0.59545%0.448SS*.Hα-helixtrans-97.2-24.2-167.6570000114.1M41 M42M41-T45 WeakPolarHBondContact O-CB 3.5Å; M41-T45 WeakPolarHBondContact O-CG2 3.3Å; M41-T45 PolarHBondContact O-N 3.29Å; M41-T45 PolarHBondContact O-OG1 3.3Å; M42-T45 PolarHBondContact O-N 3.11Å
46R90.1Very high91.4Very high144 Ų14491.7 Ų91.754%0.54345%0.451SS..  trans-118.4102.3-174.9-61.6-178.1178-167.7-2.1110.1M42 G48 Y49M42-R46 WeakPolarHBondContact O-CB 3.33Å; M42-R46 PolarHBondContact O-N 2.98Å; R46-G48 VanDerWaalsContact C-N 3.3Å; R46-G48 PolarHBondContact O-N 2.88Å; R46-Y49 VanDerWaalsContact O-CB 3.31Å; R46-Y49 WeakPolarHBondContact O-CB 3.36Å; R46-Y49 PolarHBondContact O-N 3.39Å
47I84.7Confident91.7Very high162 Ų16295.9 Ų95.983%0.83147%0.47SS*.Hα-helixtrans-48.6-48.7-176.6-60.7170.7000111.8Y49I47-Y49 VanDerWaalsContact C-N 3.35Å; I47-Y49 PolarHBondContact O-N 3.47Å
48G91.1Very high92Very high29 Ų2995.1 Ų95.130%0.29947%0.466SS..Hα-helixtrans-84.58.1179.900000116.1R46 R52R46-G48 VanDerWaalsContact C-N 3.3Å; R46-G48 PolarHBondContact O-N 2.88Å; G48-R52 WeakPolarHBondContact O-CG 3.4Å; G48-R52 PolarHBondContact O-N 3.42Å; G48-R52 PolarHBondContact O-NE 3.36Å
49Y92.5Very high92.3Very high35 Ų3595.6 Ų95.614%0.13746%0.463CS..Hα-helixtrans-74.1-41.9175.1179.5-105.6000111.7M42 I43 R46 I47 D51 R52 L53M42-Y49 HydrophobicContact CB-CD1 3.54Å; M42-Y49 HydrophobicContact CB-CD2 4.15Å; M42-Y49 HydrophobicContact CB-CE1 3.58Å; M42-Y49 HydrophobicContact CB-CE2 4.2Å; M42-Y49 HydrophobicContact CB-CG 3.84Å; M42-Y49 HydrophobicContact CE-CE1 4.16Å; M42-Y49 HydrophobicContact CE-CE2 3.75Å; M42-Y49 VanDerWaalsContact CE-CZ 3.46Å; M42-Y49 VanDerWaalsContact CE-OH 3.24Å; M42-Y49 WeakPolarHBondContact CE-OH 3.3Å; M42-Y49 HydrophobicContact SD-CD2 4.11Å; M42-Y49 HydrophobicContact SD-CE2 3.68Å; I43-Y49 HydrophobicContact CB-CD1 4.46Å; I43-Y49 HydrophobicContact CG1-CD1 3.69Å; I43-Y49 HydrophobicContact CG1-CE1 3.79Å; R46-Y49 VanDerWaalsContact O-CB 3.31Å; R46-Y49 WeakPolarHBondContact O-CB 3.36Å; R46-Y49 PolarHBondContact O-N 3.39Å; I47-Y49 VanDerWaalsContact C-N 3.35Å; I47-Y49 PolarHBondContact O-N 3.47Å; Y49-D51 VanDerWaalsContact C-N 3.34Å; Y49-D51 PolarHBondContact O-N 3.31Å; Y49-R52 PolarHBondContact O-N 2.94Å; Y49-L53 HydrophobicContact CD1-CD1 3.81Å; Y49-L53 HydrophobicContact CD1-CG 4.27Å; Y49-L53 HydrophobicContact CE1-CD1 3.2Å; Y49-L53 HydrophobicContact CE1-CD2 4.49Å; Y49-L53 HydrophobicContact CE1-CG 3.83Å; Y49-L53 HydrophobicContact CE2-CD1 4.47Å; Y49-L53 HydrophobicContact CE2-CD2 4.46Å; Y49-L53 HydrophobicContact CE2-CG 4.25Å; Y49-L53 WeakPolarHBondContact O-CG 3.46Å; Y49-L53 PolarHBondContact O-N 3.43Å
50L89.8Confident92.7Very high90 Ų9097.6 Ų97.647%0.47147%0.468SS..Hα-helixtrans-63.3-41.4177.6-176.662.1000111.6L53 T54L50-L53 PolarHBondContact O-N 3.04Å; L50-T54 WeakPolarHBondContact O-CB 3.35Å; L50-T54 PolarHBondContact O-N 3.48Å; L50-T54 PolarHBondContact O-OG1 3.46Å
51D92Very high93.1Very high95 Ų95100.5 Ų100.551%0.50847%0.473SS..Hα-helixtrans-60-50.2176.9-60-31.2000111Y49 L53 T54 D55Y49-D51 VanDerWaalsContact C-N 3.34Å; Y49-D51 PolarHBondContact O-N 3.31Å; D51-L53 VanDerWaalsContact C-N 3.31Å; D51-L53 PolarHBondContact O-N 2.95Å; D51-T54 WeakPolarHBondContact O-CA 3.39Å; D51-T54 WeakPolarHBondContact O-CB 3.33Å; D51-T54 PolarHBondContact O-N 3.16Å; D51-D55 PolarHBondContact O-N 2.94Å
52R93.9Very high93.4Very high149 Ų149104.5 Ų104.556%0.56248%0.484SS*.Hα-helixtrans-61.9-35.9177-73.9-179.5-67.9-146.2-2.2113.5G48 Y49 R56G48-R52 WeakPolarHBondContact O-CG 3.4Å; G48-R52 PolarHBondContact O-N 3.42Å; G48-R52 PolarHBondContact O-NE 3.36Å; Y49-R52 PolarHBondContact O-N 2.94Å; R52-R56 WeakPolarHBondContact O-CB 3.36Å; R52-R56 PolarHBondContact O-N 3.02Å
53L92Very high93.6Very high47 Ų47107.1 Ų107.125%0.24650%0.495CS..Hα-helixtrans-65.3-43.1173.5-80.6-177.3000110.9I43 Y49 L50 D51 R56 L57I43-L53 HydrophobicContact CG1-CD1 4.42Å; Y49-L53 HydrophobicContact CD1-CD1 3.81Å; Y49-L53 HydrophobicContact CD1-CG 4.27Å; Y49-L53 HydrophobicContact CE1-CD1 3.2Å; Y49-L53 HydrophobicContact CE1-CD2 4.49Å; Y49-L53 HydrophobicContact CE1-CG 3.83Å; Y49-L53 HydrophobicContact CE2-CD1 4.47Å; Y49-L53 HydrophobicContact CE2-CD2 4.46Å; Y49-L53 HydrophobicContact CE2-CG 4.25Å; Y49-L53 WeakPolarHBondContact O-CG 3.46Å; Y49-L53 PolarHBondContact O-N 3.43Å; L50-L53 PolarHBondContact O-N 3.04Å; D51-L53 VanDerWaalsContact C-N 3.31Å; D51-L53 PolarHBondContact O-N 2.95Å; L53-R56 PolarHBondContact O-N 3.31Å; L53-L57 VanDerWaalsContact O-CG 3.3Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 3.36Å
54T93.5Very high94Very high64 Ų64106 Ų10639%0.39350%0.497SS..Hα-helixtrans-62.1-48.6177.9-57.40000110.7L50 D51 R56 L57 L58L50-T54 WeakPolarHBondContact O-CB 3.35Å; L50-T54 PolarHBondContact O-N 3.48Å; L50-T54 PolarHBondContact O-OG1 3.46Å; D51-T54 WeakPolarHBondContact O-CA 3.39Å; D51-T54 WeakPolarHBondContact O-CB 3.33Å; D51-T54 PolarHBondContact O-N 3.16Å; T54-R56 VanDerWaalsContact C-N 3.31Å; T54-R56 PolarHBondContact O-N 3.17Å; T54-L57 PolarHBondContact O-N 3.4Å; T54-L57 VanDerWaalsContact O-N 3.16Å; T54-L58 HydrophobicContact CG2-CD1 4.16Å; T54-L58 HydrophobicContact CG2-CG 4.49Å; T54-L58 WeakPolarHBondContact O-CG 3.44Å; T54-L58 PolarHBondContact O-N 2.87Å
55D96.4Very high94.4Very high103 Ų103101.1 Ų101.155%0.55148%0.482SS*.Hα-helixtrans-57.5-44176.3-69.7-23.4000111.7D51 L58 D59D51-D55 PolarHBondContact O-N 2.94Å; D55-L58 PolarHBondContact O-N 3.17Å; D55-D59 WeakPolarHBondContact O-CB 3.36Å; D55-D59 PolarHBondContact O-N 3.48Å
56R96Very high94.7Very high147 Ų147100.5 Ų100.556%0.55548%0.475SS*.Hα-helixtrans-64.8-40.8177.6-174.3178.9-68.3177.2-3.4112.1R52 L53 T54 L58 D59 Y60R52-R56 WeakPolarHBondContact O-CB 3.36Å; R52-R56 PolarHBondContact O-N 3.02Å; L53-R56 PolarHBondContact O-N 3.31Å; T54-R56 VanDerWaalsContact C-N 3.31Å; T54-R56 PolarHBondContact O-N 3.17Å; R56-L58 VanDerWaalsContact C-N 3.35Å; R56-D59 PolarHBondContact O-N 3.06Å; R56-Y60 HydrophobicContact CG-CD2 3.99Å; R56-Y60 HydrophobicContact CG-CE2 3.53Å; R56-Y60 WeakPolarHBondContact O-CD2 3.33Å; R56-Y60 PolarHBondContact O-N 2.91Å
57L96.7Very high95.1Very high117 Ų11796 Ų9661%0.61347%0.468SS*.Hα-helixtrans-66.5-38176.1-72173.4000111.7L53 T54 R61L53-L57 VanDerWaalsContact O-CG 3.3Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 3.36Å; T54-L57 PolarHBondContact O-N 3.4Å; T54-L57 VanDerWaalsContact O-N 3.16Å; L57-R61 WeakPolarHBondContact O-CB 3.48Å; L57-R61 PolarHBondContact O-N 2.84Å
58L97.7Very high95.7Very high77 Ų7797.3 Ų97.340%0.40346%0.463SS..Hα-helixtrans-64.7-42.6174.1-71.5172.9000111.6T54 D55 R56 R61 R62T54-L58 HydrophobicContact CG2-CD1 4.16Å; T54-L58 HydrophobicContact CG2-CG 4.49Å; T54-L58 WeakPolarHBondContact O-CG 3.44Å; T54-L58 PolarHBondContact O-N 2.87Å; D55-L58 PolarHBondContact O-N 3.17Å; R56-L58 VanDerWaalsContact C-N 3.35Å; L58-R61 VanDerWaalsContact CD2-NH2 3.31Å; L58-R61 PolarHBondContact O-N 3.13Å; L58-R62 PolarHBondContact O-N 2.9Å
59D97.8Very high96Very high74 Ų7499.4 Ų99.440%0.39647%0.47SS..Hα-helixtrans-63.6-47.4175.5-173.852000111.4D55 R56 R61 R62 Q63D55-D59 WeakPolarHBondContact O-CB 3.36Å; D55-D59 PolarHBondContact O-N 3.48Å; R56-D59 PolarHBondContact O-N 3.06Å; D59-R61 VanDerWaalsContact C-N 3.3Å; D59-R61 PolarHBondContact O-N 3.3Å; D59-R62 WeakPolarHBondContact O-CB 3.49Å; D59-R62 PolarHBondContact O-N 3.48Å; D59-R62 VanDerWaalsContact O-N 3.11Å; D59-Q63 WeakPolarHBondContact O-CG 3.35Å; D59-Q63 PolarHBondContact O-N 3.14Å; D59-Q63 PolarHBondContact OD2-NE2 3.43Å
60Y97.9Very high96.3Very high129 Ų129105.7 Ų105.751%0.50649%0.493SS..Hα-helixtrans-59.7-39.1174.5-71.3-33.3000113R56 Q63 A64R56-Y60 HydrophobicContact CG-CD2 3.99Å; R56-Y60 HydrophobicContact CG-CE2 3.53Å; R56-Y60 WeakPolarHBondContact O-CD2 3.33Å; R56-Y60 PolarHBondContact O-N 2.91Å; Y60-Q63 PolarHBondContact O-N 3.42Å; Y60-A64 WeakPolarHBondContact O-CB 3.24Å; Y60-A64 PolarHBondContact O-N 2.84Å
61R97.7Very high96.7Very high150 Ų150106 Ų10657%0.56650%0.499SS*.Hα-helixtrans-60.5-46.8174.1-174.817869179.52.5110.9L57 L58 D59 A64 E65L57-R61 WeakPolarHBondContact O-CB 3.48Å; L57-R61 PolarHBondContact O-N 2.84Å; L58-R61 VanDerWaalsContact CD2-NH2 3.31Å; L58-R61 PolarHBondContact O-N 3.13Å; D59-R61 VanDerWaalsContact C-N 3.3Å; D59-R61 PolarHBondContact O-N 3.3Å; R61-A64 PolarHBondContact O-N 3.5Å; R61-E65 WeakPolarHBondContact O-CG 3.35Å; R61-E65 PolarHBondContact O-N 3.4Å
62R97.7Very high97Very high166 Ų166104.4 Ų104.463%0.62650%0.495SS*.Hα-helixtrans-62.1-43.6177.1-173.2-177.6-176.7-176.91.8111.9L58 D59 A64 E65 L66L58-R62 PolarHBondContact O-N 2.9Å; D59-R62 WeakPolarHBondContact O-CB 3.49Å; D59-R62 PolarHBondContact O-N 3.48Å; D59-R62 VanDerWaalsContact O-N 3.11Å; R62-A64 VanDerWaalsContact C-N 3.34Å; R62-A64 PolarHBondContact O-N 3.17Å; R62-E65 PolarHBondContact O-N 2.88Å; R62-L66 HydrophobicContact CG-CD1 4.38Å; R62-L66 WeakPolarHBondContact O-CG 3.44Å; R62-L66 PolarHBondContact O-N 2.83Å
63Q98Very high97.1Very high101 Ų101102.8 Ų102.847%0.47249%0.494SS..Hα-helixtrans-62.2-41.8176.3-70-177.521.800111.6D59 Y60 L66 A67D59-Q63 WeakPolarHBondContact O-CG 3.35Å; D59-Q63 PolarHBondContact O-N 3.14Å; D59-Q63 PolarHBondContact OD2-NE2 3.43Å; Y60-Q63 PolarHBondContact O-N 3.42Å; Q63-L66 PolarHBondContact O-N 3.06Å; Q63-A67 WeakPolarHBondContact O-CB 3.48Å; Q63-A67 PolarHBondContact O-N 2.94Å
64A97.9Very high97.4Very high46 Ų46104 Ų10438%0.3850%0.504SS..Hα-helixtrans-64.4-40.9176.600000112.3Y60 R61 R62 A67 R68Y60-A64 WeakPolarHBondContact O-CB 3.24Å; Y60-A64 PolarHBondContact O-N 2.84Å; R61-A64 PolarHBondContact O-N 3.5Å; R62-A64 VanDerWaalsContact C-N 3.34Å; R62-A64 PolarHBondContact O-N 3.17Å; A64-A67 PolarHBondContact O-N 2.93Å; A64-R68 VanDerWaalsContact O-CG 3.32Å; A64-R68 WeakPolarHBondContact O-CG 3.32Å; A64-R68 PolarHBondContact O-N 3.41Å
65E97.9Very high97.6Very high102 Ų102105.2 Ų105.248%0.47751%0.505SS..Hα-helixtrans-62.1-48174-74.2169.2-175.700111.5R61 R62 A67 R68 T69R61-E65 WeakPolarHBondContact O-CG 3.35Å; R61-E65 PolarHBondContact O-N 3.4Å; R62-E65 PolarHBondContact O-N 2.88Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 3.3Å; E65-R68 WeakPolarHBondContact O-CB 3.32Å; E65-R68 PolarHBondContact O-N 3.39Å; E65-T69 PolarHBondContact O-N 3.39Å; E65-T69 PolarHBondContact O-OG1 3.27Å
66L97.9Very high97.7Very high84 Ų84107.2 Ų107.244%0.4451%0.508SS..Hα-helixtrans-59.8-42176.1-71.5172.9000112.1R62 Q63 T69 R70R62-L66 HydrophobicContact CG-CD1 4.38Å; R62-L66 WeakPolarHBondContact O-CG 3.44Å; R62-L66 PolarHBondContact O-N 2.83Å; Q63-L66 PolarHBondContact O-N 3.06Å; L66-T69 PolarHBondContact O-N 2.95Å; L66-R70 WeakPolarHBondContact O-CG 3.36Å; L66-R70 PolarHBondContact O-N 2.96Å
67A97.7Very high97.8Very high49 Ų49105.9 Ų105.941%0.40551%0.512SS..Hα-helixtrans-62.3-45176.200000111.3Q63 A64 E65 T69 R70 V71Q63-A67 WeakPolarHBondContact O-CB 3.48Å; Q63-A67 PolarHBondContact O-N 2.94Å; A64-A67 PolarHBondContact O-N 2.93Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 3.3Å; A67-T69 VanDerWaalsContact C-N 3.34Å; A67-T69 PolarHBondContact O-N 2.96Å; A67-R70 PolarHBondContact O-N 2.88Å; A67-V71 VanDerWaalsContact O-CG2 3.24Å; A67-V71 WeakPolarHBondContact O-CG2 3.41Å; A67-V71 PolarHBondContact O-N 3.36Å
68R98Very high97.8Very high189 Ų189104.3 Ų104.371%0.71350%0.503SS*.Hα-helixtrans-59.7-43.6175.2-74.1173.4-177.6177.81.2112A64 E65 V71 S72A64-R68 VanDerWaalsContact O-CG 3.32Å; A64-R68 WeakPolarHBondContact O-CG 3.32Å; A64-R68 PolarHBondContact O-N 3.41Å; E65-R68 WeakPolarHBondContact O-CB 3.32Å; E65-R68 PolarHBondContact O-N 3.39Å; R68-V71 PolarHBondContact O-N 2.93Å; R68-S72 WeakPolarHBondContact O-CB 3.4Å; R68-S72 PolarHBondContact O-N 2.89Å
69T97.5Very high97.9Very high74 Ų74104 Ų10445%0.45450%0.502SS..Hα-helixtrans-62.2-45.4176.5-58.20000111.5E65 L66 A67 S72 Q73E65-T69 PolarHBondContact O-N 3.39Å; E65-T69 PolarHBondContact O-OG1 3.27Å; L66-T69 PolarHBondContact O-N 2.95Å; A67-T69 VanDerWaalsContact C-N 3.34Å; A67-T69 PolarHBondContact O-N 2.96Å; T69-S72 PolarHBondContact O-N 3.2Å; T69-Q73 WeakPolarHBondContact O-CG 3.39Å; T69-Q73 PolarHBondContact O-N 3.44Å
70R97.9Very high97.9Very high166 Ų166107.4 Ų107.463%0.62651%0.513SS*.Hα-helixtrans-60.6-47176.7-73177.8-168.1174.24.5111.6L66 A67 S72 Q73 T74L66-R70 WeakPolarHBondContact O-CG 3.36Å; L66-R70 PolarHBondContact O-N 2.96Å; A67-R70 PolarHBondContact O-N 2.88Å; R70-S72 VanDerWaalsContact C-N 3.31Å; R70-S72 PolarHBondContact O-N 3.35Å; R70-Q73 PolarHBondContact O-N 3.15Å; R70-Q73 VanDerWaalsContact O-N 3.17Å; R70-T74 WeakPolarHBondContact O-CG2 3.36Å; R70-T74 PolarHBondContact O-N 3.11Å; R70-T74 PolarHBondContact O-OG1 2.97Å; R70-T74 VanDerWaalsContact O-OG1 3.06Å
71V98.2Very high97.9Very high96 Ų96103.9 Ų103.958%0.58251%0.511SS*.Hα-helixtrans-58-44.7177.2170.70000110.9A67 R68 Q73 T74 Q75A67-V71 VanDerWaalsContact O-CG2 3.24Å; A67-V71 WeakPolarHBondContact O-CG2 3.41Å; A67-V71 PolarHBondContact O-N 3.36Å; R68-V71 PolarHBondContact O-N 2.93Å; V71-Q73 PolarHBondContact O-N 2.76Å; V71-T74 WeakPolarHBondContact CA-OG1 3.47Å; V71-T74 PolarHBondContact O-N 2.97Å; V71-T74 PolarHBondContact O-OG1 2.92Å; V71-Q75 WeakPolarHBondContact O-CB 3.32Å; V71-Q75 PolarHBondContact O-N 3.41Å
72S97.7Very high97.9Very high62 Ų62100.6 Ų100.643%0.43450%0.504SS..Hα-helixtrans-63.3-41.6176.8-178.10000112.4R68 T69 R70 Q75 K76R68-S72 WeakPolarHBondContact O-CB 3.4Å; R68-S72 PolarHBondContact O-N 2.89Å; T69-S72 PolarHBondContact O-N 3.2Å; R70-S72 VanDerWaalsContact C-N 3.31Å; R70-S72 PolarHBondContact O-N 3.35Å; S72-Q75 PolarHBondContact O-N 3.36Å; S72-K76 WeakPolarHBondContact O-CG 3.45Å; S72-K76 PolarHBondContact O-N 2.88Å; S72-K76 VanDerWaalsContact O-N 3.14Å
73Q97.7Very high97.9Very high116 Ų11698.2 Ų98.254%0.54250%0.503SS..Hα-helixtrans-65.4-45176.6-73.1172.7-13.800111.9T69 R70 V71 Q75 K76 L77T69-Q73 WeakPolarHBondContact O-CG 3.39Å; T69-Q73 PolarHBondContact O-N 3.44Å; R70-Q73 PolarHBondContact O-N 3.15Å; R70-Q73 VanDerWaalsContact O-N 3.17Å; V71-Q73 PolarHBondContact O-N 2.76Å; Q73-Q75 VanDerWaalsContact C-N 3.33Å; Q73-Q75 PolarHBondContact O-N 3.29Å; Q73-K76 PolarHBondContact O-N 3.49Å; Q73-L77 PolarHBondContact O-N 3.38Å
74T97.5Very high97.9Very high72 Ų7298.5 Ų98.544%0.44251%0.505SS..Hα-helixtrans-64.7-38.4177.4510000111.6R70 V71 K76 L77 I78R70-T74 WeakPolarHBondContact O-CG2 3.36Å; R70-T74 PolarHBondContact O-N 3.11Å; R70-T74 PolarHBondContact O-OG1 2.97Å; R70-T74 VanDerWaalsContact O-OG1 3.06Å; V71-T74 WeakPolarHBondContact CA-OG1 3.47Å; V71-T74 PolarHBondContact O-N 2.97Å; V71-T74 PolarHBondContact O-OG1 2.92Å; T74-K76 VanDerWaalsContact C-N 3.35Å; T74-K76 PolarHBondContact O-N 3.34Å; T74-L77 PolarHBondContact O-N 2.82Å; T74-I78 WeakPolarHBondContact O-CG1 3.24Å; T74-I78 PolarHBondContact O-N 3.35Å
75Q97.7Very high97.9Very high90 Ų90102.1 Ų102.142%0.42151%0.513SS..Hα-helixtrans-61.2-44.1176-171.460.349.300111.2V71 S72 Q73 L77 I78 D79V71-Q75 WeakPolarHBondContact O-CB 3.32Å; V71-Q75 PolarHBondContact O-N 3.41Å; S72-Q75 PolarHBondContact O-N 3.36Å; Q73-Q75 VanDerWaalsContact C-N 3.33Å; Q73-Q75 PolarHBondContact O-N 3.29Å; Q75-L77 VanDerWaalsContact C-N 3.27Å; Q75-L77 PolarHBondContact O-N 3.31Å; Q75-I78 WeakPolarHBondContact O-CB 3.3Å; Q75-I78 PolarHBondContact O-N 2.87Å; Q75-I78 VanDerWaalsContact O-N 3.13Å; Q75-D79 PolarHBondContact NE2-OD1 3.34Å; Q75-D79 PolarHBondContact O-N 3.16Å
76K97.9Very high97.9Very high144 Ų144103.1 Ų103.163%0.62652%0.518SS*.Hα-helixtrans-59.8-36.6175.4-70.6175.8-177.6-175.50113S72 Q73 T74 K80S72-K76 WeakPolarHBondContact O-CG 3.45Å; S72-K76 PolarHBondContact O-N 2.88Å; S72-K76 VanDerWaalsContact O-N 3.14Å; Q73-K76 PolarHBondContact O-N 3.49Å; T74-K76 VanDerWaalsContact C-N 3.35Å; T74-K76 PolarHBondContact O-N 3.34Å; K76-K80 WeakPolarHBondContact O-CB 3.49Å; K76-K80 PolarHBondContact O-N 2.92Å
77L98.2Very high97.9Very high119 Ų119104.2 Ų104.262%0.62352%0.521SS*.Hα-helixtrans-69.5-40.5175.9-67.9174.4000111.6Q73 T74 Q75 K80 A81Q73-L77 PolarHBondContact O-N 3.38Å; T74-L77 PolarHBondContact O-N 2.82Å; Q75-L77 VanDerWaalsContact C-N 3.27Å; Q75-L77 PolarHBondContact O-N 3.31Å; L77-K80 PolarHBondContact O-N 2.84Å; L77-A81 WeakPolarHBondContact O-CB 3.31Å; L77-A81 PolarHBondContact O-N 2.98Å
78I98.1Very high97.9Very high84 Ų84107 Ų10743%0.43152%0.524SS..Hα-helixtrans-61.3-48.4174.3-68.7165.6000110T74 Q75 K80 A81 L82T74-I78 WeakPolarHBondContact O-CG1 3.24Å; T74-I78 PolarHBondContact O-N 3.35Å; Q75-I78 WeakPolarHBondContact O-CB 3.3Å; Q75-I78 PolarHBondContact O-N 2.87Å; Q75-I78 VanDerWaalsContact O-N 3.13Å; I78-K80 VanDerWaalsContact C-N 3.3Å; I78-K80 PolarHBondContact O-N 2.92Å; I78-A81 PolarHBondContact O-N 3.05Å; I78-A81 VanDerWaalsContact O-N 3.16Å; I78-L82 HydrophobicContact CG2-CD1 3.91Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 WeakPolarHBondContact O-CG 3.44Å; I78-L82 PolarHBondContact O-N 3.05Å
79D98.1Very high97.8Very high72 Ų72102 Ų10239%0.38552%0.515SS..Hα-helixtrans-60.2-42179.8-60.7-22.1000111.1Q75 L82 L83Q75-D79 PolarHBondContact NE2-OD1 3.34Å; Q75-D79 PolarHBondContact O-N 3.16Å; D79-L82 PolarHBondContact O-N 3.32Å; D79-L83 WeakPolarHBondContact O-CG 3.37Å; D79-L83 PolarHBondContact O-N 2.88Å
80K98.1Very high97.7Very high145 Ų145102.3 Ų102.363%0.6352%0.516SS*.Hα-helixtrans-62.5-45.7174.9-175-179176.4-1750112.1K76 L77 I78 L82 L83 E84K76-K80 WeakPolarHBondContact O-CB 3.49Å; K76-K80 PolarHBondContact O-N 2.92Å; L77-K80 PolarHBondContact O-N 2.84Å; I78-K80 VanDerWaalsContact C-N 3.3Å; I78-K80 PolarHBondContact O-N 2.92Å; K80-L82 VanDerWaalsContact C-N 3.32Å; K80-L82 PolarHBondContact O-N 2.84Å; K80-L83 PolarHBondContact O-N 3.27Å; K80-E84 PolarHBondContact O-N 3.41Å
81A97.8Very high97.7Very high55 Ų5597.6 Ų97.646%0.45550%0.501SS..Hα-helixtrans-64.6-36.9178.900000112L77 I78 E84 Q85L77-A81 WeakPolarHBondContact O-CB 3.31Å; L77-A81 PolarHBondContact O-N 2.98Å; I78-A81 PolarHBondContact O-N 3.05Å; I78-A81 VanDerWaalsContact O-N 3.16Å; A81-E84 PolarHBondContact O-N 3.39Å; A81-Q85 VanDerWaalsContact O-CB 3.3Å; A81-Q85 WeakPolarHBondContact O-CB 3.34Å; A81-Q85 PolarHBondContact O-N 3.5Å
82L98.4Very high97.5Very high80 Ų8097.5 Ų97.542%0.41950%0.497SS..Hα-helixtrans-65.3-43.6175.4-74.2172.5000111.9I78 D79 K80 Q85 Q86I78-L82 HydrophobicContact CG2-CD1 3.91Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 WeakPolarHBondContact O-CG 3.44Å; I78-L82 PolarHBondContact O-N 3.05Å; D79-L82 PolarHBondContact O-N 3.32Å; K80-L82 VanDerWaalsContact C-N 3.32Å; K80-L82 PolarHBondContact O-N 2.84Å; L82-Q85 PolarHBondContact O-N 2.97Å; L82-Q86 WeakPolarHBondContact O-CB 3.34Å; L82-Q86 VanDerWaalsContact O-CG 3.3Å; L82-Q86 WeakPolarHBondContact O-CG 3.32Å; L82-Q86 PolarHBondContact O-N 3.19Å
83L97.9Very high97.3Very high116 Ų11696.7 Ų96.761%0.60750%0.495SS*.Hα-helixtrans-62.2-45175.5-72.2173000111.7D79 K80 Q86 E87D79-L83 WeakPolarHBondContact O-CG 3.37Å; D79-L83 PolarHBondContact O-N 2.88Å; K80-L83 PolarHBondContact O-N 3.27Å; L83-Q86 PolarHBondContact O-N 3.37Å; L83-E87 PolarHBondContact O-N 3.32Å
84E97.8Very high97.2Very high108 Ų10896.9 Ų96.951%0.50550%0.495SS..Hα-helixtrans-62.8-43.6176.8-175.5174.3178.200111.5K80 A81 Q86 E87 K88K80-E84 PolarHBondContact O-N 3.41Å; A81-E84 PolarHBondContact O-N 3.39Å; E84-Q86 VanDerWaalsContact C-N 3.33Å; E84-Q86 PolarHBondContact O-N 2.9Å; E84-E87 PolarHBondContact O-N 2.97Å; E84-K88 HydrophobicContact CG-CG 4.46Å; E84-K88 WeakPolarHBondContact O-CG 3.42Å; E84-K88 PolarHBondContact O-N 3.32Å
85Q97.9Very high97Very high121 Ų12199.1 Ų99.157%0.56550%0.504SS*.Hα-helixtrans-60.4-42.7176-175.8-179.619.500111.8A81 L82 K88 T89A81-Q85 VanDerWaalsContact O-CB 3.3Å; A81-Q85 WeakPolarHBondContact O-CB 3.34Å; A81-Q85 PolarHBondContact O-N 3.5Å; L82-Q85 PolarHBondContact O-N 2.97Å; Q85-K88 PolarHBondContact O-N 2.88Å; Q85-T89 VanDerWaalsContact O-CB 3.3Å; Q85-T89 WeakPolarHBondContact O-CB 3.34Å; Q85-T89 PolarHBondContact O-N 3.12Å; Q85-T89 PolarHBondContact O-OG1 3.13Å
86Q97.8Very high96.7Very high123 Ų12398.6 Ų98.658%0.57550%0.5SS*.Hα-helixtrans-61.7-48.5176.4-75.6174.7-4.200111L82 L83 E84 K88 T89 T90L82-Q86 WeakPolarHBondContact O-CB 3.34Å; L82-Q86 VanDerWaalsContact O-CG 3.3Å; L82-Q86 WeakPolarHBondContact O-CG 3.32Å; L82-Q86 PolarHBondContact O-N 3.19Å; L83-Q86 PolarHBondContact O-N 3.37Å; E84-Q86 VanDerWaalsContact C-N 3.33Å; E84-Q86 PolarHBondContact O-N 2.9Å; Q86-K88 PolarHBondContact O-N 3.15Å; Q86-T89 PolarHBondContact O-N 3.45Å; Q86-T90 PolarHBondContact O-N 3.36Å; Q86-T90 PolarHBondContact O-OG1 3.43Å; Q86-T90 VanDerWaalsContact O-OG1 3.11Å
87E97.7Very high96.4Very high107 Ų10796.1 Ų96.150%0.549%0.494SS..Hα-helixtrans-58.2-47.6178.3-167.7-165.5148.700111.7L83 E84 T89 T90 Q91L83-E87 PolarHBondContact O-N 3.32Å; E84-E87 PolarHBondContact O-N 2.97Å; E87-T89 VanDerWaalsContact C-N 3.35Å; E87-T89 PolarHBondContact O-N 3.27Å; E87-T90 PolarHBondContact O-N 2.94Å; E87-Q91 WeakPolarHBondContact O-CG 3.36Å; E87-Q91 PolarHBondContact O-N 3.45Å; E87-Q91 PolarHBondContact OE1-NE2 3.48Å
88K97.4Very high96.1Very high108 Ų10893.6 Ų93.647%0.4749%0.486SS..Hα-helixtrans-65.3-37.4178-66-52.1178.9-168.10112.7E84 Q85 Q86 T90 Q91 L92E84-K88 HydrophobicContact CG-CG 4.46Å; E84-K88 WeakPolarHBondContact O-CG 3.42Å; E84-K88 PolarHBondContact O-N 3.32Å; Q85-K88 PolarHBondContact O-N 2.88Å; Q86-K88 PolarHBondContact O-N 3.15Å; K88-T90 VanDerWaalsContact C-N 3.34Å; K88-Q91 PolarHBondContact O-N 2.9Å; K88-L92 VanDerWaalsContact O-CB 3.29Å; K88-L92 WeakPolarHBondContact O-CB 3.47Å; K88-L92 PolarHBondContact O-N 3.14Å
89T96.6Very high95.8Very high84 Ų8491.7 Ų91.752%0.51548%0.48SS..Hα-helixtrans-64.9-41.1176.1-57.20000111Q85 Q86 E87 L92 A93Q85-T89 VanDerWaalsContact O-CB 3.3Å; Q85-T89 WeakPolarHBondContact O-CB 3.34Å; Q85-T89 PolarHBondContact O-N 3.12Å; Q85-T89 PolarHBondContact O-OG1 3.13Å; Q86-T89 PolarHBondContact O-N 3.45Å; E87-T89 VanDerWaalsContact C-N 3.35Å; E87-T89 PolarHBondContact O-N 3.27Å; T89-L92 PolarHBondContact O-N 3.33Å; T89-A93 WeakPolarHBondContact O-CB 3.32Å; T89-A93 PolarHBondContact O-N 2.9Å
90T96.2Very high95.4Very high80 Ų8093.8 Ų93.849%0.49149%0.486SS..Hα-helixtrans-65.2-45.6174.8-56.10000111.8Q86 E87 K88 L92 A93 Q94Q86-T90 PolarHBondContact O-N 3.36Å; Q86-T90 PolarHBondContact O-OG1 3.43Å; Q86-T90 VanDerWaalsContact O-OG1 3.11Å; E87-T90 PolarHBondContact O-N 2.94Å; K88-T90 VanDerWaalsContact C-N 3.34Å; T90-L92 VanDerWaalsContact C-N 3.33Å; T90-L92 PolarHBondContact O-N 2.94Å; T90-A93 PolarHBondContact O-N 3.28Å; T90-Q94 WeakPolarHBondContact O-CG 3.3Å; T90-Q94 PolarHBondContact O-N 2.66Å
91Q96.5Very high95.1Very high67 Ų6794.4 Ų94.431%0.31349%0.488SS..Hα-helixtrans-59.1-44.6176.1-74.8170.77.700111.4E87 K88 Q94 L95E87-Q91 WeakPolarHBondContact O-CG 3.36Å; E87-Q91 PolarHBondContact O-N 3.45Å; E87-Q91 PolarHBondContact OE1-NE2 3.48Å; K88-Q91 PolarHBondContact O-N 2.9Å; Q91-Q94 PolarHBondContact O-N 3.36Å; Q91-L95 WeakPolarHBondContact O-CG 3.4Å; Q91-L95 PolarHBondContact O-N 2.87Å
92L94.9Very high94.8Very high94 Ų9497.1 Ų97.149%0.49249%0.494SS..Hα-helixtrans-61.9-45.6177.1-174.267.5000111.1K88 T89 T90 Q94 L95 K96K88-L92 VanDerWaalsContact O-CB 3.29Å; K88-L92 WeakPolarHBondContact O-CB 3.47Å; K88-L92 PolarHBondContact O-N 3.14Å; T89-L92 PolarHBondContact O-N 3.33Å; T90-L92 VanDerWaalsContact C-N 3.33Å; T90-L92 PolarHBondContact O-N 2.94Å; L92-Q94 VanDerWaalsContact C-N 3.31Å; L92-Q94 PolarHBondContact O-N 2.91Å; L92-L95 PolarHBondContact O-N 3.43Å; L92-K96 VanDerWaalsContact O-CG 3.3Å; L92-K96 WeakPolarHBondContact O-CG 3.37Å; L92-K96 PolarHBondContact O-N 3.01Å
93A93.6Very high94.5Very high46 Ų4694.1 Ų94.138%0.3848%0.48SS..Hα-helixtrans-60.4-39.9177.200000112.6T89 T90 N97T89-A93 WeakPolarHBondContact O-CB 3.32Å; T89-A93 PolarHBondContact O-N 2.9Å; T90-A93 PolarHBondContact O-N 3.28Å; A93-N97 VanDerWaalsContact O-CG 3.29Å; A93-N97 PolarHBondContact O-N 3.24Å; A93-N97 PolarHBondContact O-ND2 2.95Å
94Q95.2Very high94.1Very high119 Ų11991.4 Ų91.456%0.55647%0.47SS*.Hα-helixtrans-64.3-45174.8-71.7176-6.300111.9T90 Q91 L92 N97 S98T90-Q94 WeakPolarHBondContact O-CG 3.3Å; T90-Q94 PolarHBondContact O-N 2.66Å; Q91-Q94 PolarHBondContact O-N 3.36Å; L92-Q94 VanDerWaalsContact C-N 3.31Å; L92-Q94 PolarHBondContact O-N 2.91Å; Q94-N97 PolarHBondContact O-N 3.11Å; Q94-S98 PolarHBondContact O-N 3.4Å; Q94-S98 PolarHBondContact O-OG 3.28Å
95L93Very high93.9Very high120 Ų12092.1 Ų92.163%0.62847%0.472SS*.Hα-helixtrans-62.9-43.4177.4-74.6168.6000111.9Q91 L92 N97 S98 C99Q91-L95 WeakPolarHBondContact O-CG 3.4Å; Q91-L95 PolarHBondContact O-N 2.87Å; L92-L95 PolarHBondContact O-N 3.43Å; L95-N97 VanDerWaalsContact C-N 3.32Å; L95-N97 PolarHBondContact O-N 3.14Å; L95-S98 PolarHBondContact O-N 2.93Å; L95-C99 WeakPolarHBondContact O-CB 3.49Å; L95-C99 PolarHBondContact O-N 3.23Å
96K91.2Very high93.7Very high78 Ų7890.5 Ų90.534%0.33947%0.467SS..Hα-helixtrans-57.6-45.1173.8-69.6-175.1-163.9-147.90111.4L92 C99 K100 L127L92-K96 VanDerWaalsContact O-CG 3.3Å; L92-K96 WeakPolarHBondContact O-CG 3.37Å; L92-K96 PolarHBondContact O-N 3.01Å; K96-C99 PolarHBondContact O-N 2.62Å; K96-K100 WeakPolarHBondContact O-CG 3.42Å; K96-K100 PolarHBondContact O-N 3.26Å; K96-L127 WeakPolarHBondContact CD-O 3.4Å; K96-L127 WeakPolarHBondContact CD-OXT 3.49Å; K96-L127 WeakPolarHBondContact CE-O 3.39Å; K96-L127 WeakPolarHBondContact CG-OXT 3.44Å; K96-L127 PolarHBondContact NZ-O 3.07Å
97N92Very high93.4Very high93 Ų9386.7 Ų86.750%0.49745%0.449SS..Hα-helixtrans-64.9-41178.3-74.2-22.3000112.4A93 Q94 L95 K100 K101A93-N97 VanDerWaalsContact O-CG 3.29Å; A93-N97 PolarHBondContact O-N 3.24Å; A93-N97 PolarHBondContact O-ND2 2.95Å; Q94-N97 PolarHBondContact O-N 3.11Å; L95-N97 VanDerWaalsContact C-N 3.32Å; L95-N97 PolarHBondContact O-N 3.14Å; N97-K100 PolarHBondContact O-N 3.45Å; N97-K101 WeakPolarHBondContact O-CG 3.42Å; N97-K101 PolarHBondContact O-N 2.95Å
98S93Very high93.3Very high65 Ų6586.1 Ų86.146%0.45545%0.449SS..Hα-helixtrans-64.2-42174.8-65.40000111.8Q94 L95 K101 L102Q94-S98 PolarHBondContact O-N 3.4Å; Q94-S98 PolarHBondContact O-OG 3.28Å; L95-S98 PolarHBondContact O-N 2.93Å; S98-K101 PolarHBondContact O-N 2.9Å; S98-L102 WeakPolarHBondContact O-CG 3.39Å; S98-L102 PolarHBondContact O-N 3.3Å
99C90.9Very high93.1Very high44 Ų4484.1 Ų84.130%0.29744%0.441SS..Hα-helixtrans-61.4-47.7175.7-171.40000111.2L95 K96 K101 L102 V103L95-C99 WeakPolarHBondContact O-CB 3.49Å; L95-C99 PolarHBondContact O-N 3.23Å; K96-C99 PolarHBondContact O-N 2.62Å; C99-K101 VanDerWaalsContact C-N 3.33Å; C99-K101 PolarHBondContact O-N 3.49Å; C99-L102 PolarHBondContact O-N 2.87Å; C99-L102 VanDerWaalsContact O-N 3.12Å; C99-V103 WeakPolarHBondContact O-CG2 3.41Å; C99-V103 PolarHBondContact O-N 3.45Å
100K89.5Confident93Very high117 Ų11783.4 Ų83.451%0.50943%0.434SS..Hα-helixtrans-56.1-44.5175.1-74.6179.8-179.9-174.70112.6K96 N97 L102 V103 S104K96-K100 WeakPolarHBondContact O-CG 3.42Å; K96-K100 PolarHBondContact O-N 3.26Å; N97-K100 PolarHBondContact O-N 3.45Å; K100-L102 PolarHBondContact O-N 3.49Å; K100-V103 PolarHBondContact O-N 2.85Å; K100-S104 PolarHBondContact O-N 2.89Å; K100-S104 PolarHBondContact O-OG 3.26Å; K100-S104 VanDerWaalsContact O-OG 3.12Å
101K91.7Very high92.9Very high157 Ų15780.9 Ų80.968%0.68342%0.42SS*.Hα-helixtrans-62-41.7176.7-73.2177.3-179.6-177.10112.5N97 S98 C99 F105N97-K101 WeakPolarHBondContact O-CG 3.42Å; N97-K101 PolarHBondContact O-N 2.95Å; S98-K101 PolarHBondContact O-N 2.9Å; C99-K101 VanDerWaalsContact C-N 3.33Å; C99-K101 PolarHBondContact O-N 3.49Å; K101-F105 WeakPolarHBondContact O-CB 3.34Å; K101-F105 PolarHBondContact O-N 3.22Å
102L91.9Very high92.8Very high112 Ų11285.7 Ų85.759%0.58644%0.435SS*.Hα-helixtrans-66.8-41.6177-72.5169.9000111.8S98 C99 K100 F105 L106S98-L102 WeakPolarHBondContact O-CG 3.39Å; S98-L102 PolarHBondContact O-N 3.3Å; C99-L102 PolarHBondContact O-N 2.87Å; C99-L102 VanDerWaalsContact O-N 3.12Å; K100-L102 PolarHBondContact O-N 3.49Å; L102-F105 PolarHBondContact O-N 2.93Å; L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 2.93Å
103V91.4Very high92.8Very high18 Ų1887.4 Ų87.411%0.10944%0.443CS..Hα-helixtrans-60.3-50.7175.11710000110.2C99 K100 F105 L106 E107 I120C99-V103 WeakPolarHBondContact O-CG2 3.41Å; C99-V103 PolarHBondContact O-N 3.45Å; K100-V103 PolarHBondContact O-N 2.85Å; V103-F105 VanDerWaalsContact C-N 3.32Å; V103-F105 PolarHBondContact O-N 3.43Å; V103-L106 PolarHBondContact O-N 3.32Å; V103-L106 VanDerWaalsContact O-N 3.14Å; V103-E107 HydrophobicContact CG1-CG 4.27Å; V103-E107 WeakPolarHBondContact O-CG 3.3Å; V103-E107 PolarHBondContact O-N 3.3Å; V103-I120 HydrophobicContact CG1-CB 4.23Å; V103-I120 HydrophobicContact CG1-CD1 4.41Å
104S90.7Very high92.8Very high58 Ų5888.1 Ų88.141%0.40645%0.445SS..Hα-helixtrans-59.7-41.3177.7-59.70000112.4K100 L106 E107 D108K100-S104 PolarHBondContact O-N 2.89Å; K100-S104 PolarHBondContact O-OG 3.26Å; K100-S104 VanDerWaalsContact O-OG 3.12Å; S104-L106 PolarHBondContact O-N 3.45Å; S104-E107 PolarHBondContact O-N 2.89Å; S104-D108 WeakPolarHBondContact O-CB 3.34Å; S104-D108 PolarHBondContact O-N 3.49Å
105F93.4Very high92.6Very high124 Ų12489.8 Ų89.854%0.54446%0.458SS..Hα-helixtrans-60.9-44175.2176.1-97.5000112.3K101 L102 V103 D108 E109K101-F105 WeakPolarHBondContact O-CB 3.34Å; K101-F105 PolarHBondContact O-N 3.22Å; L102-F105 PolarHBondContact O-N 2.93Å; V103-F105 VanDerWaalsContact C-N 3.32Å; V103-F105 PolarHBondContact O-N 3.43Å; F105-D108 PolarHBondContact O-N 2.96Å; F105-E109 HydrophobicContact CE1-CG 4.08Å; F105-E109 HydrophobicContact CE2-CG 4.17Å; F105-E109 HydrophobicContact CZ-CG 3.87Å; F105-E109 WeakPolarHBondContact O-CG 3.48Å; F105-E109 PolarHBondContact O-N 3.3Å
106L92.8Very high92.6Very high87 Ų8792.8 Ų92.846%0.45546%0.461SS..Hα-helixtrans-67.6-40177.4-71.4171.9000112.2L102 V103 S104 D108 E109 L110 I120L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 2.93Å; V103-L106 PolarHBondContact O-N 3.32Å; V103-L106 VanDerWaalsContact O-N 3.14Å; S104-L106 PolarHBondContact O-N 3.45Å; L106-D108 VanDerWaalsContact C-N 3.34Å; L106-E109 PolarHBondContact O-N 3.33Å; L106-L110 VanDerWaalsContact O-CB 3.26Å; L106-L110 WeakPolarHBondContact O-CB 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.49Å; L106-I120 HydrophobicContact CB-CD1 3.7Å; L106-I120 HydrophobicContact CD1-CD1 4.3Å
107E92.8Very high92.5Very high42 Ų4296.5 Ų96.520%0.19648%0.479CS..Hα-helixtrans-61-42.8175-74.4178.9155.500111.4V103 S104 S111 Q119 I120V103-E107 HydrophobicContact CG1-CG 4.27Å; V103-E107 WeakPolarHBondContact O-CG 3.3Å; V103-E107 PolarHBondContact O-N 3.3Å; S104-E107 PolarHBondContact O-N 2.89Å; E107-S111 WeakPolarHBondContact O-CB 3.01Å; E107-S111 PolarHBondContact O-N 3.16Å; E107-S111 PolarHBondContact O-OG 3.4Å; E107-Q119 WeakPolarHBondContact OE1-CA 3.3Å; E107-I120 HydrophobicContact CG-CB 4.29Å; E107-I120 HydrophobicContact CG-CD1 4.05Å; E107-I120 HydrophobicContact CG-CG1 3.83Å; E107-I120 PolarHBondContact OE1-N 3.03Å
108D93.7Very high92.5Very high95 Ų9593.6 Ų93.651%0.50847%0.465SS..Hα-helixtrans-63.1-48.2176.3-76.2-20.4000111.6S104 F105 L106 S111 R112S104-D108 WeakPolarHBondContact O-CB 3.34Å; S104-D108 PolarHBondContact O-N 3.49Å; F105-D108 PolarHBondContact O-N 2.96Å; L106-D108 VanDerWaalsContact C-N 3.34Å; D108-S111 PolarHBondContact O-N 3.29Å; D108-R112 VanDerWaalsContact O-CG 3.32Å; D108-R112 WeakPolarHBondContact O-CG 3.33Å; D108-R112 PolarHBondContact O-N 2.79Å
109E94.4Very high92.2Very high66 Ų6696.6 Ų96.631%0.30847%0.472SS..Hα-helixtrans-66.3-43.2179.7-73.5-60.7120.800112.3F105 L106 S111 R112 I113F105-E109 HydrophobicContact CE1-CG 4.08Å; F105-E109 HydrophobicContact CE2-CG 4.17Å; F105-E109 HydrophobicContact CZ-CG 3.87Å; F105-E109 WeakPolarHBondContact O-CG 3.48Å; F105-E109 PolarHBondContact O-N 3.3Å; L106-E109 PolarHBondContact O-N 3.33Å; E109-S111 VanDerWaalsContact C-N 3.34Å; E109-S111 PolarHBondContact O-N 2.94Å; E109-R112 PolarHBondContact O-N 2.89Å; E109-R112 IonicContact OE1-CZ 3.64Å; E109-R112 IonicContact OE1-NH1 2.74Å; E109-R112 PolarHBondContact OE1-NH1 3.44Å; E109-I113 WeakPolarHBondContact O-CG1 3.47Å; E109-I113 PolarHBondContact O-N 2.95Å
110L93.9Very high91.9Very high69 Ų6996.9 Ų96.936%0.36147%0.469SS..Hα-helixtrans-65.4-38.3175.2-72173000111.7L106 R112 I113 C114 V118 I120L106-L110 VanDerWaalsContact O-CB 3.26Å; L106-L110 WeakPolarHBondContact O-CB 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.49Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.48Å; L110-I113 PolarHBondContact O-N 2.89Å; L110-C114 VanDerWaalsContact O-CB 3.31Å; L110-C114 WeakPolarHBondContact O-CB 3.45Å; L110-C114 PolarHBondContact O-N 3.15Å; L110-C114 PolarHBondContact O-SG 2.92Å; L110-V118 HydrophobicContact CB-CB 4.09Å; L110-V118 HydrophobicContact CB-CG1 4.05Å; L110-V118 HydrophobicContact CB-CG2 4.26Å; L110-V118 HydrophobicContact CD1-CG1 4.18Å; L110-I120 HydrophobicContact CD1-CD1 4.48Å
111S94.9Very high91.5Very high27 Ų2797.3 Ų97.319%0.18948%0.482CS..Hα-helixtrans-64.4-38.1178.3-63.20000111.8E107 D108 E109 N115 R116 V118E107-S111 WeakPolarHBondContact O-CB 3.01Å; E107-S111 PolarHBondContact O-N 3.16Å; E107-S111 PolarHBondContact O-OG 3.4Å; D108-S111 PolarHBondContact O-N 3.29Å; E109-S111 VanDerWaalsContact C-N 3.34Å; E109-S111 PolarHBondContact O-N 2.94Å; S111-N115 PolarHBondContact O-N 3.11Å; S111-R116 WeakPolarHBondContact CA-O 3.38Å; S111-R116 VanDerWaalsContact CB-O 3.31Å; S111-R116 WeakPolarHBondContact CB-O 3.24Å; S111-R116 PolarHBondContact O-N 2.65Å; S111-R116 PolarHBondContact OG-O 3.26Å; S111-V118 PolarHBondContact OG-N 3.47Å
112R94.7Very high90.5Very high169 Ų16991.6 Ų91.664%0.63847%0.468SS*.Hα-helixtrans-63.6-47.4172.6-71.9170.4-176177.4-0.8111.9D108 E109 L110 N115D108-R112 VanDerWaalsContact O-CG 3.32Å; D108-R112 WeakPolarHBondContact O-CG 3.33Å; D108-R112 PolarHBondContact O-N 2.79Å; E109-R112 PolarHBondContact O-N 2.89Å; E109-R112 IonicContact OE1-CZ 3.64Å; E109-R112 IonicContact OE1-NH1 2.74Å; E109-R112 PolarHBondContact OE1-NH1 3.44Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.48Å; R112-N115 PolarHBondContact O-OD1 2.82Å
113I95.1Very high89.3Confident129 Ų12994 Ų9466%0.66248%0.476SS*.Hα-helixtrans-65.4-40.8-179.4-67.4167.1000111.3E109 L110E109-I113 WeakPolarHBondContact O-CG1 3.47Å; E109-I113 PolarHBondContact O-N 2.95Å; L110-I113 PolarHBondContact O-N 2.89Å
114C92.3Very high87.7Confident62 Ų6299.9 Ų99.942%0.41950%0.5SS..Hα-helixtrans-87.6-3.6-176.3-67.30000114.5L110 R116 V118L110-C114 VanDerWaalsContact O-CB 3.31Å; L110-C114 WeakPolarHBondContact O-CB 3.45Å; L110-C114 PolarHBondContact O-N 3.15Å; L110-C114 PolarHBondContact O-SG 2.92Å; C114-R116 HydrophobicContact CB-CG 3.93Å; C114-R116 PolarHBondContact O-N 3.43Å; C114-R116 VanDerWaalsContact O-N 3.14Å; C114-V118 HydrophobicContact CB-CG2 4.12Å
115N92.6Very high85.9Confident154 Ų15499.7 Ų99.782%0.82450%0.499SS*.THydrogen-bonded Turntrans49.533.9-173.5-72.6-35.4000114S111 R112S111-N115 PolarHBondContact O-N 3.11Å; R112-N115 PolarHBondContact O-OD1 2.82Å
116R91.7Very high84.2Confident182 Ų182100.6 Ų100.669%0.68751%0.509SS*.SBendtrans-155.4157.1176.465.9178.3179.9168-0.9109.4S111 C114 V118S111-R116 WeakPolarHBondContact CA-O 3.38Å; S111-R116 VanDerWaalsContact CB-O 3.31Å; S111-R116 WeakPolarHBondContact CB-O 3.24Å; S111-R116 PolarHBondContact O-N 2.65Å; S111-R116 PolarHBondContact OG-O 3.26Å; C114-R116 HydrophobicContact CB-CG 3.93Å; C114-R116 PolarHBondContact O-N 3.43Å; C114-R116 VanDerWaalsContact O-N 3.14Å; R116-V118 HydrophobicContact CG-CG2 4.41Å; R116-V118 PolarHBondContact O-N 2.93Å
117Q90.4Very high82.2Confident157 Ų157102.4 Ų102.473%0.73452%0.519SS*.  trans-63.4124.5173.3-170.71756.500110.6
118V90.1Very high81.7Confident31 Ų31105.5 Ų105.519%0.18854%0.535CS..  trans-112.8130174.5178.10000108.4L110 S111 C114 R116L110-V118 HydrophobicContact CB-CB 4.09Å; L110-V118 HydrophobicContact CB-CG1 4.05Å; L110-V118 HydrophobicContact CB-CG2 4.26Å; L110-V118 HydrophobicContact CD1-CG1 4.18Å; S111-V118 PolarHBondContact OG-N 3.47Å; C114-V118 HydrophobicContact CB-CG2 4.12Å; R116-V118 HydrophobicContact CG-CG2 4.41Å; R116-V118 PolarHBondContact O-N 2.93Å
119Q88.3Confident81Confident129 Ų129106 Ų10660%0.60354%0.536SS*.  trans-116.5129.5172.6-70.3179.8-7.500109.1E107 T121E107-Q119 WeakPolarHBondContact OE1-CA 3.3Å; Q119-T121 PolarHBondContact O-N 3.29Å
120I84.6Confident80.3Confident49 Ų49108.2 Ų108.225%0.25155%0.549SS..  trans-82.1105.2174.9-62.9173.4000107V103 L106 E107 L110V103-I120 HydrophobicContact CG1-CB 4.23Å; V103-I120 HydrophobicContact CG1-CD1 4.41Å; L106-I120 HydrophobicContact CB-CD1 3.7Å; L106-I120 HydrophobicContact CD1-CD1 4.3Å; E107-I120 HydrophobicContact CG-CB 4.29Å; E107-I120 HydrophobicContact CG-CD1 4.05Å; E107-I120 HydrophobicContact CG-CG1 3.83Å; E107-I120 PolarHBondContact OE1-N 3.03Å; L110-I120 HydrophobicContact CD1-CD1 4.48Å
121T81.1Confident79.5Confident126 Ų126110.5 Ų110.577%0.77356%0.56SS**  trans-90.6137.6175.552.60000110.1Q119Q119-T121 PolarHBondContact O-N 3.29Å
122G70.8Confident78.5Confident37 Ų37115.8 Ų115.838%0.38158%0.583SS.*SBendtrans151.3166.1176.800000113.3F124 C125G122-F124 PolarHBondContact O-N 3.06Å; G122-C125 PolarHBondContact O-N 2.77Å
123Q65.8Low77.4Confident162 Ų162112.2 Ų112.276%0.75758%0.579SS**THydrogen-bonded Turntrans-57.1-14.5-178.9-68.4178.9-11.100114C125 D126 L127Q123-C125 PolarHBondContact O-N 3.22Å; Q123-D126 PolarHBondContact O-N 3.04Å; Q123-L127 WeakPolarHBondContact O-CG 3.24Å; Q123-L127 PolarHBondContact O-N 3.2Å
124F58.4Low76.2Confident142 Ų142111 Ų11162%0.62357%0.574SS**THydrogen-bonded Turntrans-58.9-28.9172.6-58.1-75000113G122G122-F124 PolarHBondContact O-N 3.06Å
125C53.1Low75Confident55 Ų55114.8 Ų114.837%0.37259%0.585SS.*THydrogen-bonded Turntrans-86.1-22178.1-65.10000113.3G122 Q123G122-C125 PolarHBondContact O-N 2.77Å; Q123-C125 PolarHBondContact O-N 3.22Å
126D56.5Low73.5Confident143 Ų143111.5 Ų111.577%0.76557%0.566SS**THydrogen-bonded Turntrans-92.1-8.3-179.6-65.8-32.2000113.2Q123Q123-D126 PolarHBondContact O-N 3.04Å
127L51.1Low71.8Confident125 Ų125105.1 Ų105.165%0.65456%0.555SS**  trans-69.20171.8-79.2166.3000111.3K96 Q123K96-L127 WeakPolarHBondContact CD-O 3.4Å; K96-L127 WeakPolarHBondContact CD-OXT 3.49Å; K96-L127 WeakPolarHBondContact CE-O 3.39Å; K96-L127 WeakPolarHBondContact CG-OXT 3.44Å; K96-L127 PolarHBondContact NZ-O 3.07Å; Q123-L127 WeakPolarHBondContact O-CG 3.24Å; Q123-L127 PolarHBondContact O-N 3.2Å

Retrieved 127 of 127 residues in 51.6 ms (Link to these results)