A0A087YLJ3_POEFO Loading...

Charged multivesicular body protein 6

AlphaFold DB , UniProt , Accession A0A087YLJ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 207 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
1M51.4Low58.6Low251 Ų251165.5 Ų165.5100%1.23686%0.861SS**  0115.60-62.4-167.5-152.500107.4
2G57.5Low59.5Low72 Ų72172.5 Ų172.574%0.74287%0.868SS**  trans-169.8131.2-176.900000112.1
3N47.9Very low60.7Low170 Ų170164.8 Ų164.891%0.90984%0.835SS**  trans89.571.8170.1-60.815.9000117.1
4L55.2Low62.4Low171 Ų171157.3 Ų157.390%0.89580%0.801SS**  trans-106.67.9166.1-86.3162.1000114.4
5F61.8Low63.9Low213 Ų213158 Ų15893%0.93480%0.8SS**  trans-120.861.2179.8-88.7-91.6000112.5
6G63Low65.1Low68 Ų68152.2 Ų152.270%0.70177%0.769SS**  trans-87.610916000000109.2K8G6-K8 PolarHBondContact O-N 3Å
7K60.2Low66.4Low209 Ų209146.6 Ų146.691%0.90974%0.742SS**  trans-46.9115.4165.9-83.9179.3175.7176.60108K9K7-K9 PolarHBondContact O-N 3.49Å
8K60.5Low67.7Low202 Ų202144.1 Ų144.188%0.87873%0.725SS**  trans-56.3112.1174.2-75.5-178.1179.1176.70107.1G6 Q10G6-K8 PolarHBondContact O-N 3Å; K8-Q10 PolarHBondContact O-N 3.26Å
9K60.8Low68.8Low203 Ų203138.3 Ų138.388%0.88370%0.702SS**  trans-53.8109.3169-78.3-179.9176.81790106.7K7 S11K7-K9 PolarHBondContact O-N 3.49Å; K9-S11 PolarHBondContact O-N 3.17Å
10Q62.3Low69.9Low192 Ų192132.1 Ų132.190%0.89767%0.67SS**  trans-57.1111.8167-89.7173.1-34.600106.5K8 R12K8-Q10 PolarHBondContact O-N 3.26Å; Q10-R12 PolarHBondContact O-N 3.5Å
11S63.8Low71Confident70 Ų70130.5 Ų130.549%0.4966%0.663SS.*  trans-64.5130.6-17964.70000108.5K9 V13K9-S11 PolarHBondContact O-N 3.17Å; S11-V13 PolarHBondContact O-N 2.96Å; S11-V13 PolarHBondContact OG-O 3.44Å
12R69.4Low73Confident249 Ų249124.1 Ų124.194%0.9463%0.631SS**SBendtrans-59.6-6.9170.3-64.6177.376.7179.25.3113.3Q10Q10-R12 PolarHBondContact O-N 3.5Å
13V74.9Confident74.7Confident73 Ų73121.7 Ų121.744%0.44260%0.6SS.*SBendtrans-89.3117.2178.6-172.30000108.6S11 D17 K18S11-V13 PolarHBondContact O-N 2.96Å; S11-V13 PolarHBondContact OG-O 3.44Å; V13-D17 HydrophobicContact CG1-CB 3.67Å; V13-K18 HydrophobicContact CG1-CG 3.82Å
14T84.4Confident76.9Confident59 Ų59116.7 Ų116.736%0.36257%0.571SS.*  trans-73.7162.6174.561.60000111Q16 D17 K18T14-Q16 PolarHBondContact O-N 3.26Å; T14-D17 PolarHBondContact N-OD2 3.45Å; T14-D17 PolarHBondContact O-N 3Å; T14-D17 PolarHBondContact OG1-N 3.39Å; T14-D17 PolarHBondContact OG1-OD1 3.29Å; T14-D17 PolarHBondContact OG1-OD2 2.87Å; T14-K18 PolarHBondContact O-N 2.98Å
15E84.9Confident78.8Confident168 Ų168113.1 Ų113.179%0.78555%0.549SS*.Hα-helixtrans-60.3-31.7173.4-63.4-170.5151.900112.1K18 A19E15-K18 WeakPolarHBondContact O-CB 3.49Å; E15-K18 PolarHBondContact O-N 3.35Å; E15-A19 PolarHBondContact O-N 3.22Å
16Q83.4Confident80.4Confident65 Ų65107.9 Ų107.930%0.30453%0.527SS..Hα-helixtrans-64.6-43.4175-64.6173.6-24.100111.4T14 K18 A19 I20 Q95T14-Q16 PolarHBondContact O-N 3.26Å; Q16-K18 VanDerWaalsContact C-N 3.28Å; Q16-K18 PolarHBondContact O-N 3.01Å; Q16-A19 WeakPolarHBondContact O-CB 3.42Å; Q16-A19 PolarHBondContact O-N 3.24Å; Q16-A19 VanDerWaalsContact O-N 3.14Å; Q16-I20 WeakPolarHBondContact O-CG1 3.39Å; Q16-I20 PolarHBondContact O-N 3.49Å; Q16-Q95 HydrophobicContact CB-CG 4.45Å
17D87.1Confident81.9Confident57 Ų57107.4 Ų107.431%0.30550%0.504SS..Hα-helixtrans-63.8-35.4176.7-57.2-37.7000112V13 T14 L21 Q95V13-D17 HydrophobicContact CG1-CB 3.67Å; T14-D17 PolarHBondContact N-OD2 3.45Å; T14-D17 PolarHBondContact O-N 3Å; T14-D17 PolarHBondContact OG1-N 3.39Å; T14-D17 PolarHBondContact OG1-OD1 3.29Å; T14-D17 PolarHBondContact OG1-OD2 2.87Å; D17-L21 WeakPolarHBondContact O-CB 3.48Å; D17-L21 PolarHBondContact O-N 3.24Å; D17-Q95 PolarHBondContact OD1-NE2 3.26Å
18K89.6Confident83.5Confident101 Ų101100.5 Ų100.544%0.43948%0.478SS..Hα-helixtrans-65.6-41.9173.6-65.6177.5-173.6170.30111.3V13 T14 E15 Q16 L21 Q22V13-K18 HydrophobicContact CG1-CG 3.82Å; T14-K18 PolarHBondContact O-N 2.98Å; E15-K18 WeakPolarHBondContact O-CB 3.49Å; E15-K18 PolarHBondContact O-N 3.35Å; Q16-K18 VanDerWaalsContact C-N 3.28Å; Q16-K18 PolarHBondContact O-N 3.01Å; K18-L21 PolarHBondContact O-N 3.28Å; K18-Q22 WeakPolarHBondContact O-CG 3.5Å; K18-Q22 PolarHBondContact O-N 3.36Å
19A88.9Confident85.2Confident35 Ų3597.6 Ų97.629%0.28947%0.465SS..Hα-helixtrans-63.5-45.7176.400000111.5E15 Q16 L21 Q22 L23E15-A19 PolarHBondContact O-N 3.22Å; Q16-A19 WeakPolarHBondContact O-CB 3.42Å; Q16-A19 PolarHBondContact O-N 3.24Å; Q16-A19 VanDerWaalsContact O-N 3.14Å; A19-L21 VanDerWaalsContact C-N 3.31Å; A19-L21 PolarHBondContact O-N 3.07Å; A19-Q22 PolarHBondContact O-N 3.29Å; A19-L23 WeakPolarHBondContact O-CG 3.39Å; A19-L23 PolarHBondContact O-N 3.48Å
20I90.8Very high86.7Confident13 Ų1389.9 Ų89.97%0.06743%0.433CS..Hα-helixtrans-58.9-44175.4-67.9167.1000110.6Q16 Q22 L23 K24 V88 L91 E92Q16-I20 WeakPolarHBondContact O-CG1 3.39Å; Q16-I20 PolarHBondContact O-N 3.49Å; I20-Q22 PolarHBondContact O-N 2.88Å; I20-L23 PolarHBondContact O-N 2.93Å; I20-K24 HydrophobicContact CG2-CD 3.86Å; I20-K24 VanDerWaalsContact CG2-CE 3.49Å; I20-K24 HydrophobicContact CG2-CG 4.44Å; I20-K24 WeakPolarHBondContact O-CB 3.46Å; I20-K24 WeakPolarHBondContact O-CG 3.44Å; I20-K24 PolarHBondContact O-N 3.13Å; I20-V88 HydrophobicContact CG2-CG1 4.36Å; I20-L91 HydrophobicContact CD1-CB 4.41Å; I20-L91 HydrophobicContact CG1-CB 4.1Å; I20-L91 HydrophobicContact CG1-CD1 4.21Å; I20-E92 HydrophobicContact CD1-CG 4.08Å
21L92.9Very high88.3Confident99 Ų9986.1 Ų86.152%0.51841%0.411SS..Hα-helixtrans-61.3-44.8176.8179.764000111.8D17 K18 A19 K24 Q25D17-L21 WeakPolarHBondContact O-CB 3.48Å; D17-L21 PolarHBondContact O-N 3.24Å; K18-L21 PolarHBondContact O-N 3.28Å; A19-L21 VanDerWaalsContact C-N 3.31Å; A19-L21 PolarHBondContact O-N 3.07Å; L21-K24 PolarHBondContact O-N 3.18Å; L21-Q25 HydrophobicContact CD1-CG 4.4Å; L21-Q25 WeakPolarHBondContact O-CB 3.46Å; L21-Q25 VanDerWaalsContact O-CG 3.29Å; L21-Q25 WeakPolarHBondContact O-CG 3.27Å; L21-Q25 PolarHBondContact O-N 3.03Å
22Q93.1Very high89.8Confident118 Ų11888.2 Ų88.255%0.55141%0.413SS*.Hα-helixtrans-61.8-44.3178.3-74.9175.6-8.700111.8K18 A19 I20 Q25 Q26K18-Q22 WeakPolarHBondContact O-CG 3.5Å; K18-Q22 PolarHBondContact O-N 3.36Å; A19-Q22 PolarHBondContact O-N 3.29Å; I20-Q22 PolarHBondContact O-N 2.88Å; Q22-Q25 PolarHBondContact O-N 3.49Å; Q22-Q26 WeakPolarHBondContact O-CG 3.38Å; Q22-Q26 PolarHBondContact O-N 3.19Å
23L93.9Very high90.8Very high20 Ų2081.5 Ų81.511%0.10539%0.388CS..Hα-helixtrans-63.2-43.6176.7-68.2170.8000111.6A19 I20 Q25 Q26 R27 L84 M87 V88 L91A19-L23 WeakPolarHBondContact O-CG 3.39Å; A19-L23 PolarHBondContact O-N 3.48Å; I20-L23 PolarHBondContact O-N 2.93Å; L23-Q25 PolarHBondContact O-N 2.97Å; L23-Q26 PolarHBondContact O-N 2.97Å; L23-R27 WeakPolarHBondContact O-CB 3.45Å; L23-R27 PolarHBondContact O-N 2.86Å; L23-L84 HydrophobicContact CD2-CD2 3.67Å; L23-M87 HydrophobicContact CD1-CG 3.96Å; L23-M87 HydrophobicContact CD1-SD 3.89Å; L23-M87 HydrophobicContact CD2-SD 3.71Å; L23-M87 HydrophobicContact CG-SD 4.48Å; L23-V88 HydrophobicContact CB-CG2 3.7Å; L23-V88 HydrophobicContact CD1-CG2 4.16Å; L23-L91 HydrophobicContact CD1-CD1 3.42Å; L23-L91 VanDerWaalsContact CD1-CD1 3.42Å
24K94.3Very high91.7Very high66 Ų6680.1 Ų80.129%0.28738%0.377SS..Hα-helixtrans-61.2-43.5175.5-74176.1-178.6171.40111.4I20 L21 Q26 R27 D28 V88 E92I20-K24 HydrophobicContact CG2-CD 3.86Å; I20-K24 VanDerWaalsContact CG2-CE 3.49Å; I20-K24 HydrophobicContact CG2-CG 4.44Å; I20-K24 WeakPolarHBondContact O-CB 3.46Å; I20-K24 WeakPolarHBondContact O-CG 3.44Å; I20-K24 PolarHBondContact O-N 3.13Å; L21-K24 PolarHBondContact O-N 3.18Å; K24-Q26 PolarHBondContact O-N 3.12Å; K24-R27 WeakPolarHBondContact O-CB 3.43Å; K24-R27 PolarHBondContact O-N 3.48Å; K24-D28 PolarHBondContact O-N 3.46Å; K24-V88 HydrophobicContact CG-CG2 4.36Å; K24-E92 IonicContact NZ-OE1 2.82Å; K24-E92 PolarHBondContact NZ-OE1 3.09Å
25Q95.8Very high92.2Very high95 Ų9584.3 Ų84.344%0.44439%0.39SS..Hα-helixtrans-62.6-41.1175.1-74.2177.11.600112.7L21 Q22 L23 D28 K29L21-Q25 HydrophobicContact CD1-CG 4.4Å; L21-Q25 WeakPolarHBondContact O-CB 3.46Å; L21-Q25 VanDerWaalsContact O-CG 3.29Å; L21-Q25 WeakPolarHBondContact O-CG 3.27Å; L21-Q25 PolarHBondContact O-N 3.03Å; Q22-Q25 PolarHBondContact O-N 3.49Å; L23-Q25 PolarHBondContact O-N 2.97Å; Q25-D28 PolarHBondContact O-N 3.36Å; Q25-K29 WeakPolarHBondContact O-CG 3.33Å; Q25-K29 PolarHBondContact O-N 3.29Å
26Q93.9Very high92.6Very high103 Ų10383 Ų8348%0.48138%0.382SS..Hα-helixtrans-64.8-45176.5-74.3179.60.500111.5Q22 L23 K24 D28 K29 L30 L84Q22-Q26 WeakPolarHBondContact O-CG 3.38Å; Q22-Q26 PolarHBondContact O-N 3.19Å; L23-Q26 PolarHBondContact O-N 2.97Å; K24-Q26 PolarHBondContact O-N 3.12Å; Q26-D28 VanDerWaalsContact C-N 3.31Å; Q26-D28 PolarHBondContact O-N 2.73Å; Q26-K29 WeakPolarHBondContact O-CB 3.39Å; Q26-K29 PolarHBondContact O-N 2.94Å; Q26-L30 WeakPolarHBondContact O-CG 3.44Å; Q26-L30 PolarHBondContact O-N 3.42Å; Q26-L84 HydrophobicContact CB-CD1 4.38Å
27R94.7Very high93Very high58 Ų5880.5 Ų80.522%0.21937%0.371CS..Hα-helixtrans-56-46.2174.1-177.1-158.165.2-170-2.8111.3L23 K24 K29 L30 R31 I81 L84 E85L23-R27 WeakPolarHBondContact O-CB 3.45Å; L23-R27 PolarHBondContact O-N 2.86Å; K24-R27 WeakPolarHBondContact O-CB 3.43Å; K24-R27 PolarHBondContact O-N 3.48Å; R27-K29 VanDerWaalsContact C-N 3.34Å; R27-K29 PolarHBondContact O-N 3.45Å; R27-L30 PolarHBondContact O-N 3.1Å; R27-R31 WeakPolarHBondContact O-CG 3.35Å; R27-R31 PolarHBondContact O-N 3.09Å; R27-I81 HydrophobicContact CG-CG2 4.15Å; R27-L84 HydrophobicContact CB-CD1 4.34Å; R27-E85 WeakPolarHBondContact CD-OE1 3.41Å; R27-E85 HydrophobicContact CG-CG 4.4Å
28D94.9Very high93.3Very high65 Ų6581.2 Ų81.235%0.34837%0.374SS..Hα-helixtrans-66.2-37.2-179-66.5-10.3000111.8K24 Q25 Q26 R31 Q32K24-D28 PolarHBondContact O-N 3.46Å; Q25-D28 PolarHBondContact O-N 3.36Å; Q26-D28 VanDerWaalsContact C-N 3.31Å; Q26-D28 PolarHBondContact O-N 2.73Å; D28-R31 PolarHBondContact O-N 3.44Å; D28-Q32 WeakPolarHBondContact O-CG 3.22Å; D28-Q32 PolarHBondContact O-N 3.17Å
29K94.9Very high93.5Very high141 Ų14181.3 Ų81.361%0.61338%0.379SS*.Hα-helixtrans-61.9-43.5171.5-73.9174.6-178.31780112Q25 Q26 R27 Q32 Y33Q25-K29 WeakPolarHBondContact O-CG 3.33Å; Q25-K29 PolarHBondContact O-N 3.29Å; Q26-K29 WeakPolarHBondContact O-CB 3.39Å; Q26-K29 PolarHBondContact O-N 2.94Å; R27-K29 VanDerWaalsContact C-N 3.34Å; R27-K29 PolarHBondContact O-N 3.45Å; K29-Q32 PolarHBondContact O-N 3.42Å; K29-Y33 PolarHBondContact O-N 3.17Å
30L93.8Very high93.6Very high41 Ų4184.1 Ų84.122%0.21539%0.386CS..Hα-helixtrans-64.4-41.3176.4-69.2178.2000111.7Q26 R27 Q32 Y33 Q34 T77 Q80 I81 L84Q26-L30 WeakPolarHBondContact O-CG 3.44Å; Q26-L30 PolarHBondContact O-N 3.42Å; R27-L30 PolarHBondContact O-N 3.1Å; L30-Q32 VanDerWaalsContact C-N 3.34Å; L30-Q32 PolarHBondContact O-N 3.42Å; L30-Y33 WeakPolarHBondContact O-CB 3.5Å; L30-Y33 PolarHBondContact O-N 3.31Å; L30-Q34 WeakPolarHBondContact O-CB 3.42Å; L30-Q34 PolarHBondContact O-N 3.49Å; L30-T77 HydrophobicContact CB-CG2 4.2Å; L30-T77 HydrophobicContact CD2-CG2 4.16Å; L30-Q80 HydrophobicContact CD1-CB 4.29Å; L30-I81 HydrophobicContact CB-CD1 4Å; L30-I81 HydrophobicContact CB-CG1 3.75Å; L30-I81 HydrophobicContact CD1-CG1 4.13Å; L30-L84 HydrophobicContact CD1-CD1 3.62Å
31R94.6Very high93.7Very high112 Ų11284.2 Ų84.242%0.42339%0.387SS..Hα-helixtrans-62-39.4173.7-73.9-179.2172.8-137.61112.2R27 D28 Q34 K35 I81 E85R27-R31 WeakPolarHBondContact O-CG 3.35Å; R27-R31 PolarHBondContact O-N 3.09Å; D28-R31 PolarHBondContact O-N 3.44Å; R31-Q34 WeakPolarHBondContact O-CB 3.49Å; R31-Q34 PolarHBondContact O-N 2.97Å; R31-K35 WeakPolarHBondContact O-CG 3.45Å; R31-K35 PolarHBondContact O-N 3.33Å; R31-K35 VanDerWaalsContact O-N 3.1Å; R31-I81 HydrophobicContact CG-CD1 4.01Å; R31-E85 IonicContact CZ-OE1 3.58Å; R31-E85 IonicContact NE-OE1 3.73Å; R31-E85 IonicContact NH2-OE1 2.67Å; R31-E85 PolarHBondContact NH2-OE1 3.48Å
32Q94.9Very high93.7Very high115 Ų11585.1 Ų85.154%0.53739%0.389SS..Hα-helixtrans-65.1-40.5173.7-72.4177.117.900112.1D28 K29 L30 K35 K36D28-Q32 WeakPolarHBondContact O-CG 3.22Å; D28-Q32 PolarHBondContact O-N 3.17Å; K29-Q32 PolarHBondContact O-N 3.42Å; L30-Q32 VanDerWaalsContact C-N 3.34Å; L30-Q32 PolarHBondContact O-N 3.42Å; Q32-K35 PolarHBondContact O-N 3.25Å; Q32-K36 WeakPolarHBondContact O-CG 3.46Å; Q32-K36 PolarHBondContact O-N 3.47Å; Q32-K36 VanDerWaalsContact O-N 3.09Å
33Y92.1Very high93.6Very high107 Ų10786.3 Ų86.342%0.4239%0.392SS..Hα-helixtrans-62.7-44175.1-178.7-107.5000111.8K29 L30 K35 K36 I37K29-Y33 PolarHBondContact O-N 3.17Å; L30-Y33 WeakPolarHBondContact O-CB 3.5Å; L30-Y33 PolarHBondContact O-N 3.31Å; Y33-K35 PolarHBondContact O-N 3.43Å; Y33-K36 PolarHBondContact O-N 3.37Å; Y33-K36 VanDerWaalsContact O-N 3.17Å; Y33-I37 HydrophobicContact CD1-CD1 4.03Å; Y33-I37 HydrophobicContact CE1-CD1 3.32Å; Y33-I37 HydrophobicContact CE1-CG1 4.24Å; Y33-I37 HydrophobicContact CE2-CD1 3.97Å; Y33-I37 HydrophobicContact CE2-CG1 4.3Å; Y33-I37 PolarHBondContact O-N 3.19Å; Y33-I37 WeakPolarHBondContact OH-CD1 3.29Å
34Q93.7Very high93.4Very high44 Ų4486.2 Ų86.221%0.20639%0.391CS..Hα-helixtrans-55.3-48.7174.7-163.8-169.920.600111.4L30 R31 K36 I37 N38 L74L30-Q34 WeakPolarHBondContact O-CB 3.42Å; L30-Q34 PolarHBondContact O-N 3.49Å; R31-Q34 WeakPolarHBondContact O-CB 3.49Å; R31-Q34 PolarHBondContact O-N 2.97Å; Q34-K36 PolarHBondContact O-N 3.08Å; Q34-I37 PolarHBondContact O-N 3.38Å; Q34-N38 WeakPolarHBondContact O-CB 3.33Å; Q34-N38 PolarHBondContact O-N 3.45Å; Q34-N38 PolarHBondContact O-ND2 2.95Å; Q34-L74 HydrophobicContact CB-CD2 4.31Å; Q34-L74 HydrophobicContact CG-CD2 3.7Å
35K94.4Very high93.3Very high148 Ų14890 Ų9064%0.64340%0.403SS*.Hα-helixtrans-59.8-42.8176.8-72.4179.7179.6-1760112.6R31 Q32 Y33 N38 L39R31-K35 WeakPolarHBondContact O-CG 3.45Å; R31-K35 PolarHBondContact O-N 3.33Å; R31-K35 VanDerWaalsContact O-N 3.1Å; Q32-K35 PolarHBondContact O-N 3.25Å; Y33-K35 PolarHBondContact O-N 3.43Å; K35-N38 PolarHBondContact O-N 3.46Å; K35-L39 WeakPolarHBondContact O-CG 3.48Å; K35-L39 PolarHBondContact O-N 3.28Å
36K93.4Very high93.1Very high140 Ų14091.4 Ų91.461%0.60941%0.41SS*.Hα-helixtrans-63.5-44.9178.3-74175-178.9178.60111.8Q32 Y33 Q34 L39 Q40Q32-K36 WeakPolarHBondContact O-CG 3.46Å; Q32-K36 PolarHBondContact O-N 3.47Å; Q32-K36 VanDerWaalsContact O-N 3.09Å; Y33-K36 PolarHBondContact O-N 3.37Å; Y33-K36 VanDerWaalsContact O-N 3.17Å; Q34-K36 PolarHBondContact O-N 3.08Å; K36-L39 PolarHBondContact O-N 3.31Å; K36-Q40 PolarHBondContact O-N 3.37Å; K36-Q40 VanDerWaalsContact O-N 3.13Å
37I91.9Very high93Very high13 Ų1390.6 Ų90.67%0.06741%0.408CS..Hα-helixtrans-66.2-41.4178-70-170.5000111.3Y33 Q34 L39 Q40 L41 Q70 L74Y33-I37 HydrophobicContact CD1-CD1 4.03Å; Y33-I37 HydrophobicContact CE1-CD1 3.32Å; Y33-I37 HydrophobicContact CE1-CG1 4.24Å; Y33-I37 HydrophobicContact CE2-CD1 3.97Å; Y33-I37 HydrophobicContact CE2-CG1 4.3Å; Y33-I37 PolarHBondContact O-N 3.19Å; Y33-I37 WeakPolarHBondContact OH-CD1 3.29Å; Q34-I37 PolarHBondContact O-N 3.38Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 2.8Å; I37-Q40 CarbonylContact O-C 3.55Å; I37-Q40 WeakPolarHBondContact O-CA 3.29Å; I37-Q40 WeakPolarHBondContact O-CB 3.47Å; I37-Q40 PolarHBondContact O-N 2.98Å; I37-L41 HydrophobicContact CG2-CD1 3.91Å; I37-L41 HydrophobicContact CG2-CG 4.1Å; I37-L41 PolarHBondContact O-N 2.63Å; I37-Q70 HydrophobicContact CG2-CB 4.38Å; I37-L74 HydrophobicContact CB-CD2 3.99Å; I37-L74 HydrophobicContact CB-CG 4.43Å; I37-L74 HydrophobicContact CG2-CD1 3.76Å; I37-L74 HydrophobicContact CG2-CD2 3.89Å; I37-L74 HydrophobicContact CG2-CG 3.77Å
38N92.8Very high92.7Very high71 Ų7188 Ų8838%0.3840%0.4SS..Hα-helixtrans-58-45.1178-78.3-23000112.1Q34 K35 Q40 L41 E42 L74Q34-N38 WeakPolarHBondContact O-CB 3.33Å; Q34-N38 PolarHBondContact O-N 3.45Å; Q34-N38 PolarHBondContact O-ND2 2.95Å; K35-N38 PolarHBondContact O-N 3.46Å; N38-Q40 VanDerWaalsContact C-N 3.27Å; N38-Q40 PolarHBondContact O-N 3.46Å; N38-L41 PolarHBondContact O-N 3.04Å; N38-E42 PolarHBondContact O-N 3.22Å; N38-L74 WeakPolarHBondContact OD1-CD1 3.38Å
39L94.2Very high92.6Very high103 Ų10390.7 Ų90.754%0.53941%0.408SS..Hα-helixtrans-61.7-35.6174.1-70.5171.3000112.5K35 K36 I37 K43K35-L39 WeakPolarHBondContact O-CG 3.48Å; K35-L39 PolarHBondContact O-N 3.28Å; K36-L39 PolarHBondContact O-N 3.31Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 2.8Å; L39-K43 WeakPolarHBondContact O-CG 3.49Å; L39-K43 PolarHBondContact O-N 3.45Å
40Q91.4Very high92.4Very high95 Ų9589.6 Ų89.644%0.44441%0.405SS..Hα-helixtrans-72.2-39.1177.7-171.5156.7-8.400112.2K36 I37 N38 E42 K43 E44K36-Q40 PolarHBondContact O-N 3.37Å; K36-Q40 VanDerWaalsContact O-N 3.13Å; I37-Q40 CarbonylContact O-C 3.55Å; I37-Q40 WeakPolarHBondContact O-CA 3.29Å; I37-Q40 WeakPolarHBondContact O-CB 3.47Å; I37-Q40 PolarHBondContact O-N 2.98Å; N38-Q40 VanDerWaalsContact C-N 3.27Å; N38-Q40 PolarHBondContact O-N 3.46Å; Q40-E42 VanDerWaalsContact C-N 3.32Å; Q40-E42 PolarHBondContact O-N 2.84Å; Q40-K43 PolarHBondContact O-N 2.94Å; Q40-E44 HydrophobicContact CG-CG 4.49Å; Q40-E44 WeakPolarHBondContact O-CB 3.36Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 3.33Å
41L92.6Very high92.3Very high14 Ų1488.8 Ų88.87%0.07340%0.401CS..Hα-helixtrans-61.3-39.4174.3-80.1171.5000112.1I37 N38 E44 R45 K67 Q70 E71 L74I37-L41 HydrophobicContact CG2-CD1 3.91Å; I37-L41 HydrophobicContact CG2-CG 4.1Å; I37-L41 PolarHBondContact O-N 2.63Å; N38-L41 PolarHBondContact O-N 3.04Å; L41-E44 PolarHBondContact O-N 3.37Å; L41-R45 VanDerWaalsContact O-CB 3.29Å; L41-R45 WeakPolarHBondContact O-CB 3.42Å; L41-R45 PolarHBondContact O-N 3.2Å; L41-K67 HydrophobicContact CD2-CB 4.19Å; L41-K67 HydrophobicContact CD2-CG 3.4Å; L41-K67 VanDerWaalsContact CD2-CG 3.4Å; L41-Q70 HydrophobicContact CD2-CB 3.9Å; L41-Q70 VanDerWaalsContact CD2-OE1 3.3Å; L41-Q70 HydrophobicContact CG-CB 4.43Å; L41-E71 HydrophobicContact CD1-CG 4.13Å; L41-E71 HydrophobicContact CD2-CG 4.28Å; L41-L74 HydrophobicContact CD1-CD1 3.38Å
42E92Very high92.2Very high119 Ų11988.1 Ų88.156%0.55641%0.405SS*.Hα-helixtrans-63.2-44.7175-74.2-178.8171.800112N38 Q40 R45 Q46N38-E42 PolarHBondContact O-N 3.22Å; Q40-E42 VanDerWaalsContact C-N 3.32Å; Q40-E42 PolarHBondContact O-N 2.84Å; E42-R45 WeakPolarHBondContact O-CB 3.5Å; E42-R45 PolarHBondContact O-N 3.38Å; E42-Q46 WeakPolarHBondContact O-CG 3.47Å; E42-Q46 PolarHBondContact O-N 2.86Å
43K92Very high92Very high143 Ų14391.5 Ų91.562%0.62242%0.418SS*.Hα-helixtrans-62.8-46.8175.4-69.5174.1-176.7-178.70111.6L39 Q40 R45 Q46 L47L39-K43 WeakPolarHBondContact O-CG 3.49Å; L39-K43 PolarHBondContact O-N 3.45Å; Q40-K43 PolarHBondContact O-N 2.94Å; K43-R45 VanDerWaalsContact C-N 3.26Å; K43-R45 PolarHBondContact O-N 2.9Å; K43-Q46 PolarHBondContact O-N 3.18Å; K43-L47 WeakPolarHBondContact O-CB 3.43Å; K43-L47 PolarHBondContact O-N 3.42Å
44E89.9Confident92.1Very high18 Ų1891.1 Ų91.18%0.08442%0.423CS..Hα-helixtrans-62.2-35.1177.2-72.1-174.2-175.300111.4Q40 L41 L47 A48 K66 Q70Q40-E44 HydrophobicContact CG-CG 4.49Å; Q40-E44 WeakPolarHBondContact O-CB 3.36Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 3.33Å; L41-E44 PolarHBondContact O-N 3.37Å; E44-L47 PolarHBondContact O-N 3.15Å; E44-A48 VanDerWaalsContact O-CB 3.27Å; E44-A48 WeakPolarHBondContact O-CB 3.42Å; E44-A48 PolarHBondContact O-N 3.02Å; E44-K66 WeakPolarHBondContact OE1-CE 3.36Å; E44-K66 IonicContact OE1-NZ 2.73Å; E44-K66 PolarHBondContact OE1-NZ 2.91Å; E44-Q70 PolarHBondContact OE1-NE2 2.97Å; E44-Q70 PolarHBondContact OE2-OE1 3.2Å
45R90.8Very high91.9Very high145 Ų14591.4 Ų91.455%0.54744%0.439SS..Hα-helixtrans-65-42.5173.8-174.1179.1-176.5170-0.5112.3L41 E42 K43 K49L41-R45 VanDerWaalsContact O-CB 3.29Å; L41-R45 WeakPolarHBondContact O-CB 3.42Å; L41-R45 PolarHBondContact O-N 3.2Å; E42-R45 WeakPolarHBondContact O-CB 3.5Å; E42-R45 PolarHBondContact O-N 3.38Å; K43-R45 VanDerWaalsContact C-N 3.26Å; K43-R45 PolarHBondContact O-N 2.9Å; R45-K49 WeakPolarHBondContact O-CG 3.45Å; R45-K49 PolarHBondContact O-N 3.23Å; R45-K49 VanDerWaalsContact O-N 3.12Å
46Q92.6Very high91.8Very high125 Ų12589.1 Ų89.158%0.58443%0.429SS*.Hα-helixtrans-65.8-43.7176.3-69.8176.7100111.3E42 K43 A48 K49 Q50E42-Q46 WeakPolarHBondContact O-CG 3.47Å; E42-Q46 PolarHBondContact O-N 2.86Å; K43-Q46 PolarHBondContact O-N 3.18Å; Q46-A48 PolarHBondContact O-N 2.93Å; Q46-K49 WeakPolarHBondContact O-CB 3.45Å; Q46-K49 PolarHBondContact O-N 3.02Å; Q46-Q50 PolarHBondContact O-N 3.32Å
47L91.3Very high91.6Very high85 Ų8590 Ų9045%0.44543%0.432SS..Hα-helixtrans-66-38.9179.3-163.8143.5000111.7K43 E44 K49 Q50 L51 L63K43-L47 WeakPolarHBondContact O-CB 3.43Å; K43-L47 PolarHBondContact O-N 3.42Å; E44-L47 PolarHBondContact O-N 3.15Å; L47-K49 VanDerWaalsContact C-N 3.35Å; L47-K49 PolarHBondContact O-N 3.27Å; L47-Q50 PolarHBondContact O-N 3.49Å; L47-L51 HydrophobicContact CD2-CD1 3.59Å; L47-L51 HydrophobicContact CD2-CG 4.22Å; L47-L51 WeakPolarHBondContact O-CG 3.35Å; L47-L51 PolarHBondContact O-N 3.22Å; L47-L63 HydrophobicContact CD2-CD1 3.27Å
48A89Confident91.5Very high5 Ų597.6 Ų97.64%0.04147%0.467CS..Hα-helixtrans-61.5-41.2171.900000112.1E44 Q46 Q50 L51 L52 L64E44-A48 VanDerWaalsContact O-CB 3.27Å; E44-A48 WeakPolarHBondContact O-CB 3.42Å; E44-A48 PolarHBondContact O-N 3.02Å; Q46-A48 PolarHBondContact O-N 2.93Å; A48-Q50 PolarHBondContact O-N 2.67Å; A48-L51 PolarHBondContact O-N 3.35Å; A48-L52 WeakPolarHBondContact O-CG 3.45Å; A48-L52 PolarHBondContact O-N 3.01Å; A48-L52 VanDerWaalsContact O-N 3.09Å; A48-L64 HydrophobicContact CB-CD2 4.31Å
49K91.6Very high91.2Very high121 Ų121100.6 Ų100.653%0.52648%0.477SS..Hα-helixtrans-62.6-40.3174.6-74.3178.2179.8-176.30112.2R45 Q46 L47 L52 K53R45-K49 WeakPolarHBondContact O-CG 3.45Å; R45-K49 PolarHBondContact O-N 3.23Å; R45-K49 VanDerWaalsContact O-N 3.12Å; Q46-K49 WeakPolarHBondContact O-CB 3.45Å; Q46-K49 PolarHBondContact O-N 3.02Å; L47-K49 VanDerWaalsContact C-N 3.35Å; L47-K49 PolarHBondContact O-N 3.27Å; K49-L52 PolarHBondContact O-N 3.36Å; K49-K53 WeakPolarHBondContact O-CG 3.36Å; K49-K53 PolarHBondContact O-N 3.5Å
50Q92.4Very high91Very high117 Ų11795.8 Ų95.855%0.54745%0.452SS..Hα-helixtrans-65.3-46.8176.8-72.2174.2-14.100111.4Q46 L47 A48 L52 K53 D54Q46-Q50 PolarHBondContact O-N 3.32Å; L47-Q50 PolarHBondContact O-N 3.49Å; A48-Q50 PolarHBondContact O-N 2.67Å; Q50-L52 PolarHBondContact O-N 3.47Å; Q50-K53 WeakPolarHBondContact O-CA 3.33Å; Q50-K53 WeakPolarHBondContact O-CB 3.38Å; Q50-K53 PolarHBondContact O-N 2.92Å; Q50-D54 PolarHBondContact O-N 2.92Å
51L91.6Very high90.9Very high25 Ų2596 Ų9613%0.13146%0.456CS..Hα-helixtrans-62.8-30.5178.4-72.7170.9000113.6L47 A48 D54 G55 K56 K59 A60 L63L47-L51 HydrophobicContact CD2-CD1 3.59Å; L47-L51 HydrophobicContact CD2-CG 4.22Å; L47-L51 WeakPolarHBondContact O-CG 3.35Å; L47-L51 PolarHBondContact O-N 3.22Å; A48-L51 PolarHBondContact O-N 3.35Å; L51-D54 PolarHBondContact O-N 3.45Å; L51-G55 PolarHBondContact O-N 3.01Å; L51-K56 HydrophobicContact CD2-CB 4.19Å; L51-K56 HydrophobicContact CD2-CD 3.84Å; L51-K56 PolarHBondContact O-N 2.95Å; L51-K59 HydrophobicContact CD1-CB 4.09Å; L51-A60 HydrophobicContact CB-CB 4.13Å; L51-L63 HydrophobicContact CD1-CD1 3.34Å
52L90.9Very high90.8Very high97 Ų97100.9 Ų100.951%0.50848%0.481SS..Hα-helixtrans-68.1-38.1172-73.2172.9000112.2A48 K49 Q50 D54 G55 A60A48-L52 WeakPolarHBondContact O-CG 3.45Å; A48-L52 PolarHBondContact O-N 3.01Å; A48-L52 VanDerWaalsContact O-N 3.09Å; K49-L52 PolarHBondContact O-N 3.36Å; Q50-L52 PolarHBondContact O-N 3.47Å; L52-D54 VanDerWaalsContact C-N 3.34Å; L52-G55 PolarHBondContact O-N 3Å; L52-A60 HydrophobicContact CD2-CB 3.71Å; L52-A60 HydrophobicContact CG-CB 3.84Å
53K92.3Very high90.7Very high187 Ų18796.6 Ų96.681%0.81346%0.462SS*.Hα-helixtrans-66-37.5173.9-68.8179.8177.9-171.20111.8K49 Q50 G55K49-K53 WeakPolarHBondContact O-CG 3.36Å; K49-K53 PolarHBondContact O-N 3.5Å; Q50-K53 WeakPolarHBondContact O-CA 3.33Å; Q50-K53 WeakPolarHBondContact O-CB 3.38Å; Q50-K53 PolarHBondContact O-N 2.92Å; K53-G55 PolarHBondContact O-N 2.97Å
54D92.6Very high90.6Very high98 Ų9893.9 Ų93.952%0.52445%0.454SS..THydrogen-bonded Turntrans-74.51.6176.9-67.7-0.2000113.8Q50 L51 L52 K56Q50-D54 PolarHBondContact O-N 2.92Å; L51-D54 PolarHBondContact O-N 3.45Å; L52-D54 VanDerWaalsContact C-N 3.34Å; D54-K56 HydrophobicContact CB-CD 4.24Å; D54-K56 HydrophobicContact CB-CG 4.37Å; D54-K56 PolarHBondContact O-N 3.11Å; D54-K56 IonicContact OD2-NZ 3.68Å
55G90.4Very high90.6Very high51 Ų51100 Ų10053%0.52648%0.48SS..THydrogen-bonded Turntrans73.64-178.700000115.3L51 L52 K53 K57L51-G55 PolarHBondContact O-N 3.01Å; L52-G55 PolarHBondContact O-N 3Å; K53-G55 PolarHBondContact O-N 2.97Å; G55-K57 VanDerWaalsContact C-N 3.29Å; G55-K57 PolarHBondContact O-N 2.96Å
56K92.9Very high90.6Very high100 Ų10097.2 Ų97.244%0.43547%0.472SS..  trans-83.865.2-177.2-66.3169.4-172.9154.10111.8L51 D54 E58 K59 A60L51-K56 HydrophobicContact CD2-CB 4.19Å; L51-K56 HydrophobicContact CD2-CD 3.84Å; L51-K56 PolarHBondContact O-N 2.95Å; D54-K56 HydrophobicContact CB-CD 4.24Å; D54-K56 HydrophobicContact CB-CG 4.37Å; D54-K56 PolarHBondContact O-N 3.11Å; D54-K56 IonicContact OD2-NZ 3.68Å; K56-E58 PolarHBondContact O-N 3Å; K56-K59 PolarHBondContact O-N 3.19Å; K56-A60 PolarHBondContact O-N 3.33Å
57K89Confident90.6Very high157 Ų15793 Ų9368%0.68345%0.452SS*.Hα-helixtrans-57.4-42.3-173.6-67.2-177.8179.8177.50114.2G55 K59 A60 L61G55-K57 VanDerWaalsContact C-N 3.29Å; G55-K57 PolarHBondContact O-N 2.96Å; K57-K59 PolarHBondContact O-N 2.96Å; K57-A60 PolarHBondContact O-N 3.35Å; K57-L61 WeakPolarHBondContact O-CB 3.48Å; K57-L61 PolarHBondContact O-N 2.89Å
58E89Confident90.6Very high173 Ų17397.1 Ų97.181%0.80846%0.462SS*.Hα-helixtrans-64-43-178-64.1-175.5161.700112.7K56 L61 L62K56-E58 PolarHBondContact O-N 3Å; E58-L61 PolarHBondContact O-N 3.14Å; E58-L62 PolarHBondContact O-N 2.95Å; E58-L62 VanDerWaalsContact O-N 3.08Å
59K87.4Confident90.8Very high135 Ų135104.2 Ų104.259%0.58749%0.488SS*.Hα-helixtrans-66.8-39.4177.1-67.3-175.2177.7-178.80111.5L51 K56 K57 L61 L62 L63L51-K59 HydrophobicContact CD1-CB 4.09Å; K56-K59 PolarHBondContact O-N 3.19Å; K57-K59 PolarHBondContact O-N 2.96Å; K59-L61 VanDerWaalsContact C-N 3.35Å; K59-L62 PolarHBondContact O-N 3.49Å; K59-L63 PolarHBondContact O-N 2.93Å
60A88.6Confident90.7Very high1 Ų199.6 Ų99.61%0.00847%0.468CS..Hα-helixtrans-63.1-41.5174.600000111.7L51 L52 K56 K57 L62 L63 L64L51-A60 HydrophobicContact CB-CB 4.13Å; L52-A60 HydrophobicContact CD2-CB 3.71Å; L52-A60 HydrophobicContact CG-CB 3.84Å; K56-A60 PolarHBondContact O-N 3.33Å; K57-A60 PolarHBondContact O-N 3.35Å; A60-L62 PolarHBondContact O-N 3.39Å; A60-L63 PolarHBondContact O-N 3.26Å; A60-L64 WeakPolarHBondContact O-CG 3.43Å; A60-L64 PolarHBondContact O-N 3.48Å
61L90.1Very high90.7Very high99 Ų9997.4 Ų97.452%0.51846%0.458SS..Hα-helixtrans-63.8-40.4177.9-170.4125000112.3K57 E58 K59 L64 K65K57-L61 WeakPolarHBondContact O-CB 3.48Å; K57-L61 PolarHBondContact O-N 2.89Å; E58-L61 PolarHBondContact O-N 3.14Å; K59-L61 VanDerWaalsContact C-N 3.35Å; L61-L64 PolarHBondContact O-N 2.96Å; L61-K65 HydrophobicContact CD2-CD 4.22Å; L61-K65 WeakPolarHBondContact O-CG 3.46Å; L61-K65 PolarHBondContact O-N 3.4Å
62L90.4Very high90.8Very high118 Ų118100.8 Ų100.862%0.61847%0.474SS*.Hα-helixtrans-62.2-43175.4-173.9146.9000111.9E58 K59 A60 K65 K66E58-L62 PolarHBondContact O-N 2.95Å; E58-L62 VanDerWaalsContact O-N 3.08Å; K59-L62 PolarHBondContact O-N 3.49Å; A60-L62 PolarHBondContact O-N 3.39Å; L62-K65 PolarHBondContact O-N 3.36Å; L62-K66 PolarHBondContact O-N 3.39Å
63L90.5Very high90.8Very high29 Ų2998.7 Ų98.715%0.15246%0.463CS..Hα-helixtrans-65.8-39.7176.3-73.8167.3000112.5L47 L51 K59 A60 K65 K66 K67L47-L63 HydrophobicContact CD2-CD1 3.27Å; L51-L63 HydrophobicContact CD1-CD1 3.34Å; K59-L63 PolarHBondContact O-N 2.93Å; A60-L63 PolarHBondContact O-N 3.26Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 3.48Å; L63-K66 WeakPolarHBondContact O-CB 3.45Å; L63-K66 PolarHBondContact O-N 2.82Å; L63-K67 WeakPolarHBondContact O-CB 3.33Å; L63-K67 PolarHBondContact O-N 3.33Å
64L89.2Confident90.8Very high86 Ų8690.4 Ų90.445%0.4543%0.427SS..Hα-helixtrans-64.9-35.8175.8-69.5173000112A48 A60 L61 K67 R68A48-L64 HydrophobicContact CB-CD2 4.31Å; A60-L64 WeakPolarHBondContact O-CG 3.43Å; A60-L64 PolarHBondContact O-N 3.48Å; L61-L64 PolarHBondContact O-N 2.96Å; L64-K67 HydrophobicContact CD2-CD 4.37Å; L64-K67 WeakPolarHBondContact O-CB 3.44Å; L64-K67 PolarHBondContact O-N 2.75Å; L64-R68 PolarHBondContact O-N 3.36Å
65K91Very high90.9Very high145 Ų14590.1 Ų90.163%0.6343%0.426SS*.Hα-helixtrans-63.4-44.8171.5-74.4178.3176.6178.90111.6L61 L62 L63 K67 R68 Y69L61-K65 HydrophobicContact CD2-CD 4.22Å; L61-K65 WeakPolarHBondContact O-CG 3.46Å; L61-K65 PolarHBondContact O-N 3.4Å; L62-K65 PolarHBondContact O-N 3.36Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 3.48Å; K65-K67 VanDerWaalsContact C-N 3.35Å; K65-K67 PolarHBondContact O-N 3.46Å; K65-R68 PolarHBondContact O-N 3.13Å; K65-Y69 PolarHBondContact O-N 2.96Å; K65-Y69 VanDerWaalsContact O-N 3.11Å
66K90.6Very high91Very high87 Ų8794.1 Ų94.138%0.37843%0.428SS..Hα-helixtrans-60.3-44.2175.6-171.2-170.4179.8-159.20111.8E44 L62 L63 Y69 Q70E44-K66 WeakPolarHBondContact OE1-CE 3.36Å; E44-K66 IonicContact OE1-NZ 2.73Å; E44-K66 PolarHBondContact OE1-NZ 2.91Å; L62-K66 PolarHBondContact O-N 3.39Å; L63-K66 WeakPolarHBondContact O-CB 3.45Å; L63-K66 PolarHBondContact O-N 2.82Å; K66-Y69 PolarHBondContact O-N 2.94Å; K66-Q70 PolarHBondContact O-N 3.2Å
67K91.8Very high91Very high37 Ų3789.6 Ų89.616%0.16141%0.409CS..Hα-helixtrans-56.2-50.6175.3-170.2-174.2-176.7-91.60111.4L41 L63 L64 K65 Y69 Q70 E71L41-K67 HydrophobicContact CD2-CB 4.19Å; L41-K67 HydrophobicContact CD2-CG 3.4Å; L41-K67 VanDerWaalsContact CD2-CG 3.4Å; L63-K67 WeakPolarHBondContact O-CB 3.33Å; L63-K67 PolarHBondContact O-N 3.33Å; L64-K67 HydrophobicContact CD2-CD 4.37Å; L64-K67 WeakPolarHBondContact O-CB 3.44Å; L64-K67 PolarHBondContact O-N 2.75Å; K65-K67 VanDerWaalsContact C-N 3.35Å; K65-K67 PolarHBondContact O-N 3.46Å; K67-Y69 VanDerWaalsContact C-N 3.3Å; K67-Y69 PolarHBondContact O-N 2.95Å; K67-Q70 PolarHBondContact O-N 2.95Å; K67-Q70 VanDerWaalsContact O-N 3.15Å; K67-E71 IonicContact NZ-OE1 2.63Å; K67-E71 PolarHBondContact NZ-OE1 3.05Å; K67-E71 WeakPolarHBondContact O-CG 3.39Å; K67-E71 PolarHBondContact O-N 2.99Å
68R92.6Very high91.3Very high172 Ų17286.9 Ų86.965%0.64940%0.399SS*.Hα-helixtrans-60.9-38.3179.3-175.8171176153.2-0.6112.6L64 K65 E71 Q72L64-R68 PolarHBondContact O-N 3.36Å; K65-R68 PolarHBondContact O-N 3.13Å; R68-E71 PolarHBondContact O-N 3.47Å; R68-Q72 WeakPolarHBondContact O-CG 3.34Å; R68-Q72 PolarHBondContact O-N 2.99Å; R68-Q72 VanDerWaalsContact O-N 3.1Å
69Y91.7Very high91.6Very high153 Ų15383.4 Ų83.460%0.639%0.386SS*.Hα-helixtrans-65.9-41.5175.1175.9-99.7000112.4K65 K66 K67 Q72 L73K65-Y69 PolarHBondContact O-N 2.96Å; K65-Y69 VanDerWaalsContact O-N 3.11Å; K66-Y69 PolarHBondContact O-N 2.94Å; K67-Y69 VanDerWaalsContact C-N 3.3Å; K67-Y69 PolarHBondContact O-N 2.95Å; Y69-Q72 PolarHBondContact O-N 2.88Å; Y69-L73 PolarHBondContact O-N 3.34Å
70Q90.7Very high91.9Very high24 Ų2481.9 Ų81.911%0.11238%0.381CS..Hα-helixtrans-65.5-37.9175.6-74.4174.6-11.300112.4I37 L41 E44 K66 K67 L73 L74I37-Q70 HydrophobicContact CG2-CB 4.38Å; L41-Q70 HydrophobicContact CD2-CB 3.9Å; L41-Q70 VanDerWaalsContact CD2-OE1 3.3Å; L41-Q70 HydrophobicContact CG-CB 4.43Å; E44-Q70 PolarHBondContact OE1-NE2 2.97Å; E44-Q70 PolarHBondContact OE2-OE1 3.2Å; K66-Q70 PolarHBondContact O-N 3.2Å; K67-Q70 PolarHBondContact O-N 2.95Å; K67-Q70 VanDerWaalsContact O-N 3.15Å; Q70-L73 PolarHBondContact O-N 3.37Å; Q70-L74 PolarHBondContact O-N 2.81Å
71E91.3Very high92.2Very high72 Ų7282.3 Ų82.334%0.33638%0.383SS..Hα-helixtrans-60.2-46.9172.6-72.6169.1171.700111.1L41 K67 R68 L73 L74 D75L41-E71 HydrophobicContact CD1-CG 4.13Å; L41-E71 HydrophobicContact CD2-CG 4.28Å; K67-E71 IonicContact NZ-OE1 2.63Å; K67-E71 PolarHBondContact NZ-OE1 3.05Å; K67-E71 WeakPolarHBondContact O-CG 3.39Å; K67-E71 PolarHBondContact O-N 2.99Å; R68-E71 PolarHBondContact O-N 3.47Å; E71-L73 VanDerWaalsContact C-N 3.25Å; E71-L73 PolarHBondContact O-N 3.06Å; E71-L74 WeakPolarHBondContact O-CB 3.38Å; E71-L74 PolarHBondContact O-N 3.1Å; E71-D75 PolarHBondContact O-N 3.19Å
72Q93.4Very high92.5Very high96 Ų9680.6 Ų80.645%0.44938%0.379SS..Hα-helixtrans-60.8-33.8174.7-71.3178.2-22.100113.3R68 Y69 K76R68-Q72 WeakPolarHBondContact O-CG 3.34Å; R68-Q72 PolarHBondContact O-N 2.99Å; R68-Q72 VanDerWaalsContact O-N 3.1Å; Y69-Q72 PolarHBondContact O-N 2.88Å; Q72-K76 WeakPolarHBondContact O-CG 3.5Å; Q72-K76 PolarHBondContact O-N 3.33Å
73L90.8Very high92.7Very high53 Ų5379.9 Ų79.928%0.27738%0.376SS..Hα-helixtrans-71.9-35.1175.8-172.664.2000111.7Y69 Q70 E71 K76 T77Y69-L73 PolarHBondContact O-N 3.34Å; Q70-L73 PolarHBondContact O-N 3.37Å; E71-L73 VanDerWaalsContact C-N 3.25Å; E71-L73 PolarHBondContact O-N 3.06Å; L73-K76 PolarHBondContact O-N 3.26Å; L73-T77 WeakPolarHBondContact O-CB 3.49Å; L73-T77 PolarHBondContact O-N 3.22Å; L73-T77 PolarHBondContact O-OG1 3.43Å
74L93.6Very high92.9Very high13 Ų1379.6 Ų79.67%0.06838%0.375CS..Hα-helixtrans-62.8-46.3172.5-78.3173.7000111.3Q34 I37 N38 L41 Q70 E71 K76 T77 E78Q34-L74 HydrophobicContact CB-CD2 4.31Å; Q34-L74 HydrophobicContact CG-CD2 3.7Å; I37-L74 HydrophobicContact CB-CD2 3.99Å; I37-L74 HydrophobicContact CB-CG 4.43Å; I37-L74 HydrophobicContact CG2-CD1 3.76Å; I37-L74 HydrophobicContact CG2-CD2 3.89Å; I37-L74 HydrophobicContact CG2-CG 3.77Å; N38-L74 WeakPolarHBondContact OD1-CD1 3.38Å; L41-L74 HydrophobicContact CD1-CD1 3.38Å; Q70-L74 PolarHBondContact O-N 2.81Å; E71-L74 WeakPolarHBondContact O-CB 3.38Å; E71-L74 PolarHBondContact O-N 3.1Å; L74-K76 VanDerWaalsContact C-N 3.28Å; L74-K76 PolarHBondContact O-N 3.21Å; L74-T77 CarbonylContact O-C 3.54Å; L74-T77 WeakPolarHBondContact O-CA 3.42Å; L74-T77 WeakPolarHBondContact O-CB 3.37Å; L74-T77 PolarHBondContact O-N 3.31Å; L74-E78 PolarHBondContact O-N 3.26Å
75D94Very high93.1Very high92 Ų9278.1 Ų78.149%0.49237%0.366SS..Hα-helixtrans-58.3-43.1178-61.4-21.6000111.1E71 T77 E78 N79E71-D75 PolarHBondContact O-N 3.19Å; D75-T77 VanDerWaalsContact C-N 3.33Å; D75-T77 PolarHBondContact O-N 2.67Å; D75-E78 PolarHBondContact O-N 3.37Å; D75-N79 PolarHBondContact O-N 3.14Å; D75-N79 PolarHBondContact O-ND2 3.36Å; D75-N79 VanDerWaalsContact O-ND2 3.14Å
76K93.3Very high93.3Very high134 Ų13478.9 Ų78.958%0.58336%0.364SS*.Hα-helixtrans-62.6-40.4174-71.6176.8-176.8-177.50112.3Q72 L73 L74 E78 N79 Q80Q72-K76 WeakPolarHBondContact O-CG 3.5Å; Q72-K76 PolarHBondContact O-N 3.33Å; L73-K76 PolarHBondContact O-N 3.26Å; L74-K76 VanDerWaalsContact C-N 3.28Å; L74-K76 PolarHBondContact O-N 3.21Å; K76-E78 VanDerWaalsContact C-N 3.35Å; K76-N79 PolarHBondContact O-N 3.02Å; K76-Q80 WeakPolarHBondContact O-CG 3.38Å; K76-Q80 PolarHBondContact O-N 3.09Å
77T93.3Very high93.4Very high6 Ų679.1 Ų79.14%0.03737%0.368CS..Hα-helixtrans-66.7-39.1178.6-56.40000111L30 L73 L74 D75 Q80 I81L30-T77 HydrophobicContact CB-CG2 4.2Å; L30-T77 HydrophobicContact CD2-CG2 4.16Å; L73-T77 WeakPolarHBondContact O-CB 3.49Å; L73-T77 PolarHBondContact O-N 3.22Å; L73-T77 PolarHBondContact O-OG1 3.43Å; L74-T77 CarbonylContact O-C 3.54Å; L74-T77 WeakPolarHBondContact O-CA 3.42Å; L74-T77 WeakPolarHBondContact O-CB 3.37Å; L74-T77 PolarHBondContact O-N 3.31Å; D75-T77 VanDerWaalsContact C-N 3.33Å; D75-T77 PolarHBondContact O-N 2.67Å; T77-Q80 WeakPolarHBondContact O-CB 3.46Å; T77-Q80 PolarHBondContact O-N 2.92Å; T77-I81 HydrophobicContact CG2-CD1 4.19Å; T77-I81 WeakPolarHBondContact O-CG1 3.34Å; T77-I81 PolarHBondContact O-N 3.35Å
78E94.1Very high93.4Very high99 Ų9977.8 Ų77.846%0.46336%0.363SS..Hα-helixtrans-64.8-44.2176.8-171.1159.9-157.600111.2L74 D75 K76 Q80 I81 S82L74-E78 PolarHBondContact O-N 3.26Å; D75-E78 PolarHBondContact O-N 3.37Å; K76-E78 VanDerWaalsContact C-N 3.35Å; E78-Q80 VanDerWaalsContact C-N 3.28Å; E78-Q80 PolarHBondContact O-N 3.32Å; E78-I81 PolarHBondContact O-N 3.3Å; E78-I81 VanDerWaalsContact O-N 3.13Å; E78-S82 PolarHBondContact O-N 3.01Å; E78-S82 PolarHBondContact O-OG 2.91Å
79N95.9Very high93.5Very high100 Ų10075.7 Ų75.754%0.53536%0.36SS..Hα-helixtrans-58-40.6171.1-70.2-35.5000112.3D75 K76 S82 N83D75-N79 PolarHBondContact O-N 3.14Å; D75-N79 PolarHBondContact O-ND2 3.36Å; D75-N79 VanDerWaalsContact O-ND2 3.14Å; K76-N79 PolarHBondContact O-N 3.02Å; N79-S82 PolarHBondContact O-N 2.99Å; N79-N83 WeakPolarHBondContact O-CB 3.37Å; N79-N83 PolarHBondContact O-N 3.31Å; N79-N83 PolarHBondContact O-ND2 2.94Å
80Q93.6Very high93.5Very high103 Ų10372.5 Ų72.548%0.48135%0.354SS..Hα-helixtrans-66-39.1175.7-73.5173.6-10.300112.5L30 K76 T77 E78 N83 L84L30-Q80 HydrophobicContact CD1-CB 4.29Å; K76-Q80 WeakPolarHBondContact O-CG 3.38Å; K76-Q80 PolarHBondContact O-N 3.09Å; T77-Q80 WeakPolarHBondContact O-CB 3.46Å; T77-Q80 PolarHBondContact O-N 2.92Å; E78-Q80 VanDerWaalsContact C-N 3.28Å; E78-Q80 PolarHBondContact O-N 3.32Å; Q80-N83 PolarHBondContact O-N 3.08Å; Q80-L84 WeakPolarHBondContact O-CG 3.33Å; Q80-L84 PolarHBondContact O-N 2.96Å
81I95Very high93.5Very high10 Ų1074 Ų745%0.05136%0.362CS..Hα-helixtrans-61.7-47.9175.2-71.3165.5000109.9R27 L30 R31 T77 E78 N83 L84 E85R27-I81 HydrophobicContact CG-CG2 4.15Å; L30-I81 HydrophobicContact CB-CD1 4Å; L30-I81 HydrophobicContact CB-CG1 3.75Å; L30-I81 HydrophobicContact CD1-CG1 4.13Å; R31-I81 HydrophobicContact CG-CD1 4.01Å; T77-I81 HydrophobicContact CG2-CD1 4.19Å; T77-I81 WeakPolarHBondContact O-CG1 3.34Å; T77-I81 PolarHBondContact O-N 3.35Å; E78-I81 PolarHBondContact O-N 3.3Å; E78-I81 VanDerWaalsContact O-N 3.13Å; I81-N83 VanDerWaalsContact C-N 3.31Å; I81-N83 PolarHBondContact O-N 3.47Å; I81-L84 PolarHBondContact O-N 3.33Å; I81-E85 WeakPolarHBondContact O-CG 3.35Å; I81-E85 PolarHBondContact O-N 3.35Å
82S95.8Very high93.4Very high63 Ų6374 Ų7444%0.44136%0.363SS..Hα-helixtrans-59.9-41.4176.8-59.10000112.1E78 N79 E85 R86E78-S82 PolarHBondContact O-N 3.01Å; E78-S82 PolarHBondContact O-OG 2.91Å; N79-S82 PolarHBondContact O-N 2.99Å; S82-E85 PolarHBondContact O-N 3.18Å; S82-R86 PolarHBondContact O-N 2.96Å
83N94.9Very high93.4Very high103 Ų10375.3 Ų75.355%0.55137%0.367SS*.Hα-helixtrans-64.3-40.7175.9-70.6-20.8000112.4N79 Q80 I81 R86 M87N79-N83 WeakPolarHBondContact O-CB 3.37Å; N79-N83 PolarHBondContact O-N 3.31Å; N79-N83 PolarHBondContact O-ND2 2.94Å; Q80-N83 PolarHBondContact O-N 3.08Å; I81-N83 VanDerWaalsContact C-N 3.31Å; I81-N83 PolarHBondContact O-N 3.47Å; N83-R86 PolarHBondContact O-N 3.4Å; N83-M87 WeakPolarHBondContact O-CB 3.44Å; N83-M87 PolarHBondContact O-N 2.96Å
84L94.3Very high93.4Very high23 Ų2374.5 Ų74.512%0.1237%0.368CS..Hα-helixtrans-65.8-39.5175.4-74.9172.1000111.7L23 Q26 R27 L30 Q80 I81 M87 V88L23-L84 HydrophobicContact CD2-CD2 3.67Å; Q26-L84 HydrophobicContact CB-CD1 4.38Å; R27-L84 HydrophobicContact CB-CD1 4.34Å; L30-L84 HydrophobicContact CD1-CD1 3.62Å; Q80-L84 WeakPolarHBondContact O-CG 3.33Å; Q80-L84 PolarHBondContact O-N 2.96Å; I81-L84 PolarHBondContact O-N 3.33Å; L84-M87 PolarHBondContact O-N 2.91Å; L84-V88 WeakPolarHBondContact O-CG2 3.45Å; L84-V88 PolarHBondContact O-N 3.45Å
85E93.2Very high93.1Very high56 Ų5675.7 Ų75.726%0.26237%0.373SS..Hα-helixtrans-63.9-43.5176.6-73.7175.118000111.6R27 R31 I81 S82 V88 Q89R27-E85 WeakPolarHBondContact CD-OE1 3.41Å; R27-E85 HydrophobicContact CG-CG 4.4Å; R31-E85 IonicContact CZ-OE1 3.58Å; R31-E85 IonicContact NE-OE1 3.73Å; R31-E85 IonicContact NH2-OE1 2.67Å; R31-E85 PolarHBondContact NH2-OE1 3.48Å; I81-E85 WeakPolarHBondContact O-CG 3.35Å; I81-E85 PolarHBondContact O-N 3.35Å; S82-E85 PolarHBondContact O-N 3.18Å; E85-V88 PolarHBondContact O-N 3.02Å; E85-Q89 WeakPolarHBondContact O-CG 3.43Å; E85-Q89 PolarHBondContact O-N 3.14Å; E85-Q89 VanDerWaalsContact O-N 3.08Å
86R95.4Very high92.9Very high160 Ų16075.8 Ų75.860%0.60437%0.373SS*.Hα-helixtrans-60.2-46.3172.7-175-179.4173-155.7-1.3111.8S82 N83 V88 Q89 D90S82-R86 PolarHBondContact O-N 2.96Å; N83-R86 PolarHBondContact O-N 3.4Å; R86-V88 VanDerWaalsContact C-N 3.27Å; R86-V88 PolarHBondContact O-N 3.26Å; R86-Q89 WeakPolarHBondContact O-CB 3.45Å; R86-Q89 PolarHBondContact O-N 3.26Å; R86-Q89 VanDerWaalsContact O-N 3.09Å; R86-D90 IonicContact NE-OD2 3.78Å; R86-D90 VanDerWaalsContact O-CG 3.23Å; R86-D90 PolarHBondContact O-N 3.04Å
87M92.3Very high92.8Very high92 Ų9274 Ų7445%0.45337%0.366SS..Hα-helixtrans-61.2-36.1178.7-171.9-178.6-6400112.6L23 N83 L84 L91L23-M87 HydrophobicContact CD1-CG 3.96Å; L23-M87 HydrophobicContact CD1-SD 3.89Å; L23-M87 HydrophobicContact CD2-SD 3.71Å; L23-M87 HydrophobicContact CG-SD 4.48Å; N83-M87 WeakPolarHBondContact O-CB 3.44Å; N83-M87 PolarHBondContact O-N 2.96Å; L84-M87 PolarHBondContact O-N 2.91Å; M87-L91 WeakPolarHBondContact O-CB 3.42Å; M87-L91 WeakPolarHBondContact O-CG 3.47Å; M87-L91 PolarHBondContact O-N 2.97Å
88V93Very high92.6Very high10 Ų1080 Ų806%0.06139%0.388CS..Hα-helixtrans-64.8-44.7173.9167.90000110.9I20 L23 K24 L84 E85 R86 L91 E92I20-V88 HydrophobicContact CG2-CG1 4.36Å; L23-V88 HydrophobicContact CB-CG2 3.7Å; L23-V88 HydrophobicContact CD1-CG2 4.16Å; K24-V88 HydrophobicContact CG-CG2 4.36Å; L84-V88 WeakPolarHBondContact O-CG2 3.45Å; L84-V88 PolarHBondContact O-N 3.45Å; E85-V88 PolarHBondContact O-N 3.02Å; R86-V88 VanDerWaalsContact C-N 3.27Å; R86-V88 PolarHBondContact O-N 3.26Å; V88-L91 PolarHBondContact O-N 3.48Å; V88-E92 WeakPolarHBondContact O-CG 3.44Å; V88-E92 PolarHBondContact O-N 3.04Å
89Q93.4Very high92.4Very high127 Ų12782.4 Ų82.459%0.59340%0.397SS*.Hα-helixtrans-62.4-44.8176.5-70172.5-10.700111.7E85 R86 L91 E92 F93E85-Q89 WeakPolarHBondContact O-CG 3.43Å; E85-Q89 PolarHBondContact O-N 3.14Å; E85-Q89 VanDerWaalsContact O-N 3.08Å; R86-Q89 WeakPolarHBondContact O-CB 3.45Å; R86-Q89 PolarHBondContact O-N 3.26Å; R86-Q89 VanDerWaalsContact O-N 3.09Å; Q89-L91 VanDerWaalsContact C-N 3.29Å; Q89-L91 PolarHBondContact O-N 3.21Å; Q89-E92 PolarHBondContact O-N 3.48Å; Q89-F93 WeakPolarHBondContact O-CB 3.34Å; Q89-F93 PolarHBondContact O-N 3.04Å
90D93Very high92.3Very high86 Ų8681.6 Ų81.646%0.4640%0.396SS..Hα-helixtrans-60.1-40.4178.2-66-22.7000111R86 F93 A94R86-D90 IonicContact NE-OD2 3.78Å; R86-D90 VanDerWaalsContact O-CG 3.23Å; R86-D90 PolarHBondContact O-N 3.04Å; D90-F93 PolarHBondContact O-N 3.29Å; D90-A94 WeakPolarHBondContact O-CB 3.49Å; D90-A94 PolarHBondContact O-N 2.89Å
91L91Very high92.3Very high56 Ų5681 Ų8129%0.29340%0.395SS..Hα-helixtrans-68.4-41.6175.5-75.7173.9000113I20 L23 M87 V88 Q89 F93 A94 Q95I20-L91 HydrophobicContact CD1-CB 4.41Å; I20-L91 HydrophobicContact CG1-CB 4.1Å; I20-L91 HydrophobicContact CG1-CD1 4.21Å; L23-L91 HydrophobicContact CD1-CD1 3.42Å; L23-L91 VanDerWaalsContact CD1-CD1 3.42Å; M87-L91 WeakPolarHBondContact O-CB 3.42Å; M87-L91 WeakPolarHBondContact O-CG 3.47Å; M87-L91 PolarHBondContact O-N 2.97Å; V88-L91 PolarHBondContact O-N 3.48Å; Q89-L91 VanDerWaalsContact C-N 3.29Å; Q89-L91 PolarHBondContact O-N 3.21Å; L91-F93 VanDerWaalsContact C-N 3.28Å; L91-F93 PolarHBondContact O-N 3.4Å; L91-A94 PolarHBondContact O-N 3.37Å; L91-Q95 WeakPolarHBondContact O-CG 3.41Å; L91-Q95 PolarHBondContact O-N 2.92Å
92E88.8Confident92.3Very high73 Ų7383.8 Ų83.834%0.34141%0.41SS..Hα-helixtrans-63.3-37.4175.6-73.4173.8176.800110.6I20 K24 V88 Q89 Q95 I96I20-E92 HydrophobicContact CD1-CG 4.08Å; K24-E92 IonicContact NZ-OE1 2.82Å; K24-E92 PolarHBondContact NZ-OE1 3.09Å; V88-E92 WeakPolarHBondContact O-CG 3.44Å; V88-E92 PolarHBondContact O-N 3.04Å; Q89-E92 PolarHBondContact O-N 3.48Å; E92-Q95 WeakPolarHBondContact O-CB 3.45Å; E92-Q95 PolarHBondContact O-N 2.91Å; E92-I96 PolarHBondContact O-N 3.22Å
93F92.6Very high92.2Very high123 Ų12382.8 Ų82.854%0.53941%0.41SS..Hα-helixtrans-67.2-45.8173.8-173.9-109000112.3Q89 D90 L91 Q95 I96 E97Q89-F93 WeakPolarHBondContact O-CB 3.34Å; Q89-F93 PolarHBondContact O-N 3.04Å; D90-F93 PolarHBondContact O-N 3.29Å; L91-F93 VanDerWaalsContact C-N 3.28Å; L91-F93 PolarHBondContact O-N 3.4Å; F93-Q95 PolarHBondContact O-N 3.44Å; F93-I96 WeakPolarHBondContact O-CA 3.49Å; F93-I96 WeakPolarHBondContact O-CB 3.46Å; F93-I96 PolarHBondContact O-N 3.38Å; F93-E97 HydrophobicContact CD1-CG 4Å; F93-E97 VanDerWaalsContact CE1-CD 3.45Å; F93-E97 HydrophobicContact CE1-CG 3.73Å; F93-E97 WeakPolarHBondContact CE1-OE1 3.44Å; F93-E97 HydrophobicContact CZ-CG 4.1Å; F93-E97 PolarHBondContact O-N 2.93Å
94A90.3Very high92.1Very high36 Ų3683.6 Ų83.630%0.29841%0.413SS..Hα-helixtrans-59.2-31.2175.300000112.7D90 L91 I96 R98D90-A94 WeakPolarHBondContact O-CB 3.49Å; D90-A94 PolarHBondContact O-N 2.89Å; L91-A94 PolarHBondContact O-N 3.37Å; A94-I96 VanDerWaalsContact C-N 3.34Å; A94-R98 WeakPolarHBondContact O-CB 3.42Å; A94-R98 PolarHBondContact O-N 3.33Å
95Q88.6Confident92.1Very high37 Ų3788.1 Ų88.117%0.17343%0.432CS..Hα-helixtrans-64.9-37.6171.3-75.1-172.6-18.300112.3Q16 D17 L91 E92 F93 K99Q16-Q95 HydrophobicContact CB-CG 4.45Å; D17-Q95 PolarHBondContact OD1-NE2 3.26Å; L91-Q95 WeakPolarHBondContact O-CG 3.41Å; L91-Q95 PolarHBondContact O-N 2.92Å; E92-Q95 WeakPolarHBondContact O-CB 3.45Å; E92-Q95 PolarHBondContact O-N 2.91Å; F93-Q95 PolarHBondContact O-N 3.44Å; Q95-K99 WeakPolarHBondContact O-CG 3.43Å; Q95-K99 PolarHBondContact O-N 2.85Å
96I89.9Confident92.2Very high95 Ų9589.8 Ų89.849%0.48745%0.446SS..Hα-helixtrans-69.8-47.4176.1-62.5167.9000109.8E92 F93 A94 R98 K99 V100E92-I96 PolarHBondContact O-N 3.22Å; F93-I96 WeakPolarHBondContact O-CA 3.49Å; F93-I96 WeakPolarHBondContact O-CB 3.46Å; F93-I96 PolarHBondContact O-N 3.38Å; A94-I96 VanDerWaalsContact C-N 3.34Å; I96-R98 VanDerWaalsContact C-N 3.26Å; I96-R98 PolarHBondContact O-N 2.86Å; I96-K99 WeakPolarHBondContact O-CA 3.49Å; I96-K99 WeakPolarHBondContact O-CB 3.44Å; I96-K99 PolarHBondContact O-N 3.45Å; I96-V100 HydrophobicContact CG2-CG2 4.44Å; I96-V100 WeakPolarHBondContact O-CG2 3.36Å; I96-V100 PolarHBondContact O-N 3.11Å
97E90.3Very high92.1Very high95 Ų9583.7 Ų83.744%0.44443%0.433SS..Hα-helixtrans-54.8-43.7176.7-69-175.9143.200111.7F93 K99 V100 I101F93-E97 HydrophobicContact CD1-CG 4Å; F93-E97 VanDerWaalsContact CE1-CD 3.45Å; F93-E97 HydrophobicContact CE1-CG 3.73Å; F93-E97 WeakPolarHBondContact CE1-OE1 3.44Å; F93-E97 HydrophobicContact CZ-CG 4.1Å; F93-E97 PolarHBondContact O-N 2.93Å; E97-K99 VanDerWaalsContact C-N 3.34Å; E97-K99 PolarHBondContact O-N 3.44Å; E97-V100 WeakPolarHBondContact O-CB 3.38Å; E97-V100 PolarHBondContact O-N 3.3Å; E97-I101 WeakPolarHBondContact O-CG1 3.41Å; E97-I101 PolarHBondContact O-N 3.42Å
98R90.4Very high92.2Very high134 Ų13483.1 Ų83.151%0.50643%0.432SS..Hα-helixtrans-58.7-44.6175-175.2178.1-179.7-176.75.4112.2A94 I96 V100 I101 D102A94-R98 WeakPolarHBondContact O-CB 3.42Å; A94-R98 PolarHBondContact O-N 3.33Å; I96-R98 VanDerWaalsContact C-N 3.26Å; I96-R98 PolarHBondContact O-N 2.86Å; R98-V100 VanDerWaalsContact C-N 3.32Å; R98-V100 PolarHBondContact O-N 3.38Å; R98-I101 PolarHBondContact O-N 2.89Å; R98-D102 WeakPolarHBondContact O-CB 3.38Å; R98-D102 VanDerWaalsContact O-CG 3.31Å; R98-D102 PolarHBondContact O-N 3.48Å
99K89.8Confident92.2Very high148 Ų14886.7 Ų86.764%0.64345%0.451SS*.Hα-helixtrans-63.7-37.7177-71.5173.8-177.5174.50112.1Q95 I96 E97 D102 G103Q95-K99 WeakPolarHBondContact O-CG 3.43Å; Q95-K99 PolarHBondContact O-N 2.85Å; I96-K99 WeakPolarHBondContact O-CA 3.49Å; I96-K99 WeakPolarHBondContact O-CB 3.44Å; I96-K99 PolarHBondContact O-N 3.45Å; E97-K99 VanDerWaalsContact C-N 3.34Å; E97-K99 PolarHBondContact O-N 3.44Å; K99-D102 PolarHBondContact O-N 3.2Å; K99-G103 PolarHBondContact O-N 3.18Å
100V93.9Very high92Very high84 Ų8483.9 Ų83.951%0.50944%0.444SS..Hα-helixtrans-63.1-47.1174.9174.40000110.2I96 E97 R98 D102 G103 L104I96-V100 HydrophobicContact CG2-CG2 4.44Å; I96-V100 WeakPolarHBondContact O-CG2 3.36Å; I96-V100 PolarHBondContact O-N 3.11Å; E97-V100 WeakPolarHBondContact O-CB 3.38Å; E97-V100 PolarHBondContact O-N 3.3Å; R98-V100 VanDerWaalsContact C-N 3.32Å; R98-V100 PolarHBondContact O-N 3.38Å; V100-D102 VanDerWaalsContact C-N 3.34Å; V100-D102 PolarHBondContact O-N 2.89Å; V100-G103 PolarHBondContact O-N 3.48Å; V100-L104 HydrophobicContact CG1-CD1 4.26Å; V100-L104 HydrophobicContact CG1-CG 4.49Å; V100-L104 WeakPolarHBondContact O-CG 3.49Å; V100-L104 PolarHBondContact O-N 3.47Å
101I93.3Very high91.8Very high91 Ų9184.5 Ų84.547%0.46745%0.447SS..Hα-helixtrans-60.8-44.1177-67.7167.5000111.1E97 R98 G103 L104 K105E97-I101 WeakPolarHBondContact O-CG1 3.41Å; E97-I101 PolarHBondContact O-N 3.42Å; R98-I101 PolarHBondContact O-N 2.89Å; I101-G103 VanDerWaalsContact C-N 3.32Å; I101-G103 PolarHBondContact O-N 3Å; I101-L104 PolarHBondContact O-N 3.01Å; I101-K105 WeakPolarHBondContact O-CG 3.48Å; I101-K105 PolarHBondContact O-N 2.9Å
102D93.4Very high91.7Very high67 Ų6787 Ų8736%0.35846%0.456SS..Hα-helixtrans-64.6-37.7177.7-69.8-22.4000111.2R98 K99 V100 K105 V106R98-D102 WeakPolarHBondContact O-CB 3.38Å; R98-D102 VanDerWaalsContact O-CG 3.31Å; R98-D102 PolarHBondContact O-N 3.48Å; K99-D102 PolarHBondContact O-N 3.2Å; V100-D102 VanDerWaalsContact C-N 3.34Å; V100-D102 PolarHBondContact O-N 2.89Å; D102-K105 PolarHBondContact O-N 2.92Å; D102-K105 IonicContact OD1-NZ 3.59Å; D102-V106 WeakPolarHBondContact O-CG2 3.43Å; D102-V106 PolarHBondContact O-N 2.87Å; D102-V106 VanDerWaalsContact O-N 3.11Å
103G93.8Very high91.7Very high43 Ų4390.1 Ų90.144%0.44347%0.468SS..Hα-helixtrans-63.9-41.9172.100000113.3K99 V100 I101 K105 V106 G107K99-G103 PolarHBondContact O-N 3.18Å; V100-G103 PolarHBondContact O-N 3.48Å; I101-G103 VanDerWaalsContact C-N 3.32Å; I101-G103 PolarHBondContact O-N 3Å; G103-K105 VanDerWaalsContact C-N 3.34Å; G103-K105 PolarHBondContact O-N 3.11Å; G103-V106 PolarHBondContact O-N 3.17Å; G103-G107 PolarHBondContact O-N 3.34Å
104L94.6Very high91Very high120 Ų12089.8 Ų89.863%0.62847%0.469SS*.Hα-helixtrans-63.9-37.5175.2-71.7174.1000112.1V100 I101 G107 N108V100-L104 HydrophobicContact CG1-CD1 4.26Å; V100-L104 HydrophobicContact CG1-CG 4.49Å; V100-L104 WeakPolarHBondContact O-CG 3.49Å; V100-L104 PolarHBondContact O-N 3.47Å; I101-L104 PolarHBondContact O-N 3.01Å; L104-G107 PolarHBondContact O-N 3.47Å; L104-N108 WeakPolarHBondContact O-CB 3.01Å; L104-N108 PolarHBondContact O-N 3.27Å
105K94.4Very high90.5Very high117 Ų11794.3 Ų94.351%0.50948%0.484SS..Hα-helixtrans-62.3-47.8174.1-73.8173.9-176.4168.60111.5I101 D102 G103 G107 N108 D109I101-K105 WeakPolarHBondContact O-CG 3.48Å; I101-K105 PolarHBondContact O-N 2.9Å; D102-K105 PolarHBondContact O-N 2.92Å; D102-K105 IonicContact OD1-NZ 3.59Å; G103-K105 VanDerWaalsContact C-N 3.34Å; G103-K105 PolarHBondContact O-N 3.11Å; K105-G107 VanDerWaalsContact C-N 3.3Å; K105-G107 PolarHBondContact O-N 2.86Å; K105-N108 WeakPolarHBondContact O-CB 3.39Å; K105-N108 PolarHBondContact O-N 3.34Å; K105-N108 VanDerWaalsContact O-N 3.17Å; K105-D109 VanDerWaalsContact O-CG 3.28Å; K105-D109 PolarHBondContact O-N 2.95Å
106V94.3Very high90.3Very high91 Ų9198.2 Ų98.255%0.55250%0.502SS*.Hα-helixtrans-60.5-42.4176.1174.80000110.9D102 G103 N108 D109 C110D102-V106 WeakPolarHBondContact O-CG2 3.43Å; D102-V106 PolarHBondContact O-N 2.87Å; D102-V106 VanDerWaalsContact O-N 3.11Å; G103-V106 PolarHBondContact O-N 3.17Å; V106-N108 PolarHBondContact O-N 3.41Å; V106-D109 PolarHBondContact O-N 3.47Å; V106-C110 WeakPolarHBondContact O-CB 3.36Å; V106-C110 PolarHBondContact O-N 2.92Å; V106-C110 PolarHBondContact O-SG 3.36Å; V106-C110 VanDerWaalsContact O-SG 3.37Å
107G93.5Very high89.6Confident33 Ų3397.4 Ų97.434%0.3450%0.502SS..Hα-helixtrans-59.3-45.3174.100000112.6G103 L104 K105 C110 L111G103-G107 PolarHBondContact O-N 3.34Å; L104-G107 PolarHBondContact O-N 3.47Å; K105-G107 VanDerWaalsContact C-N 3.3Å; K105-G107 PolarHBondContact O-N 2.86Å; G107-C110 PolarHBondContact O-N 2.94Å; G107-L111 WeakPolarHBondContact O-CG 3.49Å; G107-L111 PolarHBondContact O-N 2.96Å
108N94.2Very high88.6Confident80 Ų8098.2 Ų98.243%0.42851%0.507SS..Hα-helixtrans-63.2-42.2176.7-169-79.5000112.1L104 K105 V106 L111 K112L104-N108 WeakPolarHBondContact O-CB 3.01Å; L104-N108 PolarHBondContact O-N 3.27Å; K105-N108 WeakPolarHBondContact O-CB 3.39Å; K105-N108 PolarHBondContact O-N 3.34Å; K105-N108 VanDerWaalsContact O-N 3.17Å; V106-N108 PolarHBondContact O-N 3.41Å; N108-L111 PolarHBondContact O-N 3.09Å; N108-K112 WeakPolarHBondContact O-CG 3.35Å; N108-K112 PolarHBondContact O-N 3.42Å; N108-K112 WeakPolarHBondContact OD1-CE 3.37Å; N108-K112 PolarHBondContact OD1-NZ 3.43Å
109D93.3Very high87.8Confident84 Ų8494.7 Ų94.745%0.44950%0.503SS..Hα-helixtrans-66.1-38.1177.3-67.8-20.2000111.8K105 V106 K112 K113K105-D109 VanDerWaalsContact O-CG 3.28Å; K105-D109 PolarHBondContact O-N 2.95Å; V106-D109 PolarHBondContact O-N 3.47Å; D109-K112 PolarHBondContact O-N 3.37Å; D109-K113 WeakPolarHBondContact O-CG 3.04Å; D109-K113 PolarHBondContact O-N 3.36Å; D109-K113 VanDerWaalsContact O-N 3.11Å
110C89.4Confident86.9Confident68 Ų6893 Ų9346%0.45950%0.499SS..Hα-helixtrans-64.6-44172.3-74.10000111.9V106 G107 K112 K113 M114V106-C110 WeakPolarHBondContact O-CB 3.36Å; V106-C110 PolarHBondContact O-N 2.92Å; V106-C110 PolarHBondContact O-SG 3.36Å; V106-C110 VanDerWaalsContact O-SG 3.37Å; G107-C110 PolarHBondContact O-N 2.94Å; C110-K112 VanDerWaalsContact C-N 3.34Å; C110-K112 PolarHBondContact O-N 3.5Å; C110-K113 PolarHBondContact O-N 3.05Å; C110-M114 PolarHBondContact O-N 2.85Å
111L89.2Confident85.9Confident99 Ų9993.2 Ų93.252%0.51850%0.495SS..Hα-helixtrans-61.5-41.4176.2-74.6172000111.7G107 N108 M114 H115G107-L111 WeakPolarHBondContact O-CG 3.49Å; G107-L111 PolarHBondContact O-N 2.96Å; N108-L111 PolarHBondContact O-N 3.09Å; L111-M114 PolarHBondContact O-N 2.89Å; L111-H115 PolarHBondContact O-CD2 3.43Å; L111-H115 VanDerWaalsContact O-CD2 3.27Å; L111-H115 PolarHBondContact O-N 3.27Å
112K88.6Confident84.9Confident109 Ų10994.8 Ų94.847%0.47450%0.5SS..Hα-helixtrans-59.1-47.7174.5-77.4172.9177.5157.80112.1N108 D109 C110 M114 H115 E116N108-K112 WeakPolarHBondContact O-CG 3.35Å; N108-K112 PolarHBondContact O-N 3.42Å; N108-K112 WeakPolarHBondContact OD1-CE 3.37Å; N108-K112 PolarHBondContact OD1-NZ 3.43Å; D109-K112 PolarHBondContact O-N 3.37Å; C110-K112 VanDerWaalsContact C-N 3.34Å; C110-K112 PolarHBondContact O-N 3.5Å; K112-M114 VanDerWaalsContact C-N 3.33Å; K112-M114 PolarHBondContact O-N 3.3Å; K112-H115 PolarHBondContact O-N 2.87Å; K112-E116 WeakPolarHBondContact O-CG 3.39Å; K112-E116 PolarHBondContact O-N 3.18Å
113K87.5Confident84Confident138 Ų13895.7 Ų95.760%0.651%0.508SS*.Hα-helixtrans-61.3-40.8176.8-71.3174.6-178.3179.20112.3D109 C110 E116 V117D109-K113 WeakPolarHBondContact O-CG 3.04Å; D109-K113 PolarHBondContact O-N 3.36Å; D109-K113 VanDerWaalsContact O-N 3.11Å; C110-K113 PolarHBondContact O-N 3.05Å; K113-E116 PolarHBondContact O-N 2.96Å; K113-V117 WeakPolarHBondContact O-CG2 3.46Å; K113-V117 PolarHBondContact O-N 2.84Å; K113-V117 VanDerWaalsContact O-N 3.09Å
114M79.5Confident83.1Confident116 Ų11699.2 Ų99.257%0.57151%0.513SS*.Hα-helixtrans-63.1-42.8174.6-75.6-176.469.300111.7C110 L111 K112 V117 M118C110-M114 PolarHBondContact O-N 2.85Å; L111-M114 PolarHBondContact O-N 2.89Å; K112-M114 VanDerWaalsContact C-N 3.33Å; K112-M114 PolarHBondContact O-N 3.3Å; M114-V117 PolarHBondContact O-N 3.2Å; M114-M118 WeakPolarHBondContact O-CB 3.4Å; M114-M118 WeakPolarHBondContact O-CG 3.46Å; M114-M118 PolarHBondContact O-N 3.3Å
115H79.9Confident82.5Confident132 Ų132100.4 Ų100.461%0.61151%0.509SS*.Hα-helixtrans-63.4-41.3175.9-85.4-61.4000112.6L111 K112 M118 S119L111-H115 PolarHBondContact O-CD2 3.43Å; L111-H115 VanDerWaalsContact O-CD2 3.27Å; L111-H115 PolarHBondContact O-N 3.27Å; K112-H115 PolarHBondContact O-N 2.87Å; H115-M118 PolarHBondContact O-N 3.19Å; H115-S119 WeakPolarHBondContact O-CB 3.47Å; H115-S119 PolarHBondContact O-N 3.37Å; H115-S119 PolarHBondContact O-OG 2.95Å
116E82.7Confident81.8Confident118 Ų11899.2 Ų99.255%0.55151%0.507SS*.Hα-helixtrans-60.6-46.2176.3-74.3167.9-172.200111.4K112 K113 S119 I120K112-E116 WeakPolarHBondContact O-CG 3.39Å; K112-E116 PolarHBondContact O-N 3.18Å; K113-E116 PolarHBondContact O-N 2.96Å; E116-S119 PolarHBondContact O-N 2.9Å; E116-S119 PolarHBondContact O-OG 3.21Å; E116-I120 WeakPolarHBondContact O-CD1 3.43Å; E116-I120 VanDerWaalsContact O-CG1 3.3Å; E116-I120 WeakPolarHBondContact O-CG1 3.47Å; E116-I120 PolarHBondContact O-N 3.3Å
117V75.9Confident81.2Confident78 Ų7899.9 Ų99.947%0.47351%0.507SS..Hα-helixtrans-64.6-46.9177.91740000111.3K113 M114 S119 I120 E121K113-V117 WeakPolarHBondContact O-CG2 3.46Å; K113-V117 PolarHBondContact O-N 2.84Å; K113-V117 VanDerWaalsContact O-N 3.09Å; M114-V117 PolarHBondContact O-N 3.2Å; V117-S119 PolarHBondContact O-N 3.44Å; V117-I120 PolarHBondContact O-N 3.15Å; V117-E121 WeakPolarHBondContact CG1-OE1 3.38Å; V117-E121 WeakPolarHBondContact O-CG 3.25Å; V117-E121 PolarHBondContact O-N 2.89Å; V117-E121 VanDerWaalsContact O-N 3.11Å
118M70Confident80.8Confident112 Ų112102.4 Ų102.455%0.55251%0.513SS*.Hα-helixtrans-61.3-42.3177.4-77.8-173.4152.200112.2M114 H115 I120 E121 E122M114-M118 WeakPolarHBondContact O-CB 3.4Å; M114-M118 WeakPolarHBondContact O-CG 3.46Å; M114-M118 PolarHBondContact O-N 3.3Å; H115-M118 PolarHBondContact O-N 3.19Å; M118-I120 VanDerWaalsContact C-N 3.29Å; M118-I120 PolarHBondContact O-N 3.44Å; M118-E121 PolarHBondContact O-N 3.36Å; M118-E122 VanDerWaalsContact O-CB 3.25Å; M118-E122 WeakPolarHBondContact O-CB 3.3Å; M118-E122 PolarHBondContact O-N 2.88Å
119S73.5Confident80.3Confident61 Ų61104.7 Ų104.743%0.42752%0.521SS..Hα-helixtrans-64.7-32.6179.464.90000113.3H115 E116 V117 V123H115-S119 WeakPolarHBondContact O-CB 3.47Å; H115-S119 PolarHBondContact O-N 3.37Å; H115-S119 PolarHBondContact O-OG 2.95Å; E116-S119 PolarHBondContact O-N 2.9Å; E116-S119 PolarHBondContact O-OG 3.21Å; V117-S119 PolarHBondContact O-N 3.44Å; S119-V123 WeakPolarHBondContact O-CB 3.49Å; S119-V123 WeakPolarHBondContact O-CG2 3.27Å; S119-V123 PolarHBondContact O-N 3.43Å; S119-V123 VanDerWaalsContact O-N 3.1Å
120I70.5Confident79.8Confident111 Ų111103.8 Ų103.857%0.56952%0.519SS*.Hα-helixtrans-73.9-47.6178.8-66.7163.4000109.9E116 V117 M118 E122 V123 E124E116-I120 WeakPolarHBondContact O-CD1 3.43Å; E116-I120 VanDerWaalsContact O-CG1 3.3Å; E116-I120 WeakPolarHBondContact O-CG1 3.47Å; E116-I120 PolarHBondContact O-N 3.3Å; V117-I120 PolarHBondContact O-N 3.15Å; M118-I120 VanDerWaalsContact C-N 3.29Å; M118-I120 PolarHBondContact O-N 3.44Å; I120-E122 VanDerWaalsContact C-N 3.29Å; I120-E122 PolarHBondContact O-N 3.46Å; I120-V123 PolarHBondContact O-N 3.11Å; I120-E124 WeakPolarHBondContact O-CB 3.43Å; I120-E124 PolarHBondContact O-N 3.29Å
121E72.5Confident79.6Confident90 Ų90105.7 Ų105.742%0.42152%0.521SS..Hα-helixtrans-64.6-31.2178.6-69.4177.8-173.100113.3V117 M118 R125V117-E121 WeakPolarHBondContact CG1-OE1 3.38Å; V117-E121 WeakPolarHBondContact O-CG 3.25Å; V117-E121 PolarHBondContact O-N 2.89Å; V117-E121 VanDerWaalsContact O-N 3.11Å; M118-E121 PolarHBondContact O-N 3.36Å; E121-R125 WeakPolarHBondContact O-CB 3.44Å; E121-R125 WeakPolarHBondContact O-CG 3.4Å; E121-R125 PolarHBondContact O-N 3.28Å; E121-R125 PolarHBondContact O-NE 3.44Å; E121-R125 VanDerWaalsContact O-NE 3.15Å; E121-R125 IonicContact OE2-NH2 2.74Å
122E72Confident79.5Confident123 Ų123106 Ų10658%0.57552%0.523SS*.Hα-helixtrans-75.5-40176.1-171.5167.3-168.500111.2M118 I120 I126M118-E122 VanDerWaalsContact O-CB 3.25Å; M118-E122 WeakPolarHBondContact O-CB 3.3Å; M118-E122 PolarHBondContact O-N 2.88Å; I120-E122 VanDerWaalsContact C-N 3.29Å; I120-E122 PolarHBondContact O-N 3.46Å; E122-I126 HydrophobicContact CG-CD1 4.26Å; E122-I126 WeakPolarHBondContact O-CD1 3.33Å; E122-I126 VanDerWaalsContact O-CG1 3.27Å; E122-I126 WeakPolarHBondContact O-CG1 3.1Å; E122-I126 PolarHBondContact O-N 3.38Å; E122-I126 VanDerWaalsContact O-N 3.1Å
123V73.9Confident79.2Confident87 Ų87104.4 Ų104.453%0.52753%0.526SS..Hα-helixtrans-66.8-41.8174.8169.60000111.8S119 I120 I126 L127S119-V123 WeakPolarHBondContact O-CB 3.49Å; S119-V123 WeakPolarHBondContact O-CG2 3.27Å; S119-V123 PolarHBondContact O-N 3.43Å; S119-V123 VanDerWaalsContact O-N 3.1Å; I120-V123 PolarHBondContact O-N 3.11Å; V123-I126 PolarHBondContact O-N 3.1Å; V123-L127 HydrophobicContact CG1-CD1 4.1Å; V123-L127 WeakPolarHBondContact O-CG 3.32Å; V123-L127 PolarHBondContact O-N 2.95Å
124E76Confident79.1Confident116 Ų116102 Ų10254%0.54252%0.519SS..Hα-helixtrans-62.8-45.2177.2-169.6170.2-162.300111.2I120 I126 L127 D128I120-E124 WeakPolarHBondContact O-CB 3.43Å; I120-E124 PolarHBondContact O-N 3.29Å; E124-I126 PolarHBondContact O-N 3.21Å; E124-L127 PolarHBondContact O-N 3.4Å; E124-D128 PolarHBondContact O-N 3.1Å
125R81.5Confident79.5Confident146 Ų146100.3 Ų100.355%0.55151%0.51SS*.Hα-helixtrans-59.5-42.5174.7-85.8-177.6-93.8-169.6-11.1113.5E121 L127 D128 E129E121-R125 WeakPolarHBondContact O-CB 3.44Å; E121-R125 WeakPolarHBondContact O-CG 3.4Å; E121-R125 PolarHBondContact O-N 3.28Å; E121-R125 PolarHBondContact O-NE 3.44Å; E121-R125 VanDerWaalsContact O-NE 3.15Å; E121-R125 IonicContact OE2-NH2 2.74Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-D128 PolarHBondContact O-N 3.1Å; R125-E129 WeakPolarHBondContact O-CB 3.39Å; R125-E129 WeakPolarHBondContact O-CG 3.26Å; R125-E129 PolarHBondContact O-N 2.89Å
126I80.4Confident79.8Confident91 Ų91101.1 Ų101.147%0.46751%0.508SS..Hα-helixtrans-66.5-38.3178.4-68.8166.8000110.9E122 V123 E124 T130E122-I126 HydrophobicContact CG-CD1 4.26Å; E122-I126 WeakPolarHBondContact O-CD1 3.33Å; E122-I126 VanDerWaalsContact O-CG1 3.27Å; E122-I126 WeakPolarHBondContact O-CG1 3.1Å; E122-I126 PolarHBondContact O-N 3.38Å; E122-I126 VanDerWaalsContact O-N 3.1Å; V123-I126 PolarHBondContact O-N 3.1Å; E124-I126 PolarHBondContact O-N 3.21Å; I126-T130 HydrophobicContact CG2-CG2 4.35Å; I126-T130 WeakPolarHBondContact O-CB 3.44Å; I126-T130 VanDerWaalsContact O-CG2 3.26Å; I126-T130 WeakPolarHBondContact O-CG2 3.38Å; I126-T130 PolarHBondContact O-N 3.35Å; I126-T130 PolarHBondContact O-OG1 2.99Å
127L80.8Confident79.7Confident105 Ų105100.1 Ų100.155%0.5550%0.504SS..Hα-helixtrans-66.4-42.1176.7-73.2172.5000111.9V123 E124 R125 T130 Q131V123-L127 HydrophobicContact CG1-CD1 4.1Å; V123-L127 WeakPolarHBondContact O-CG 3.32Å; V123-L127 PolarHBondContact O-N 2.95Å; E124-L127 PolarHBondContact O-N 3.4Å; R125-L127 VanDerWaalsContact C-N 3.34Å; L127-T130 WeakPolarHBondContact CA-OG1 3.35Å; L127-T130 PolarHBondContact O-N 3.45Å; L127-T130 PolarHBondContact O-OG1 3.04Å; L127-Q131 VanDerWaalsContact O-CB 3.32Å; L127-Q131 WeakPolarHBondContact O-CB 3.33Å; L127-Q131 PolarHBondContact O-N 2.75Å
128D85.6Confident80.2Confident87 Ų87104.2 Ų104.247%0.46551%0.51SS..Hα-helixtrans-63.7-48.7175.7-71.2-13000111.1E124 R125 T130 Q131 D132E124-D128 PolarHBondContact O-N 3.1Å; R125-D128 PolarHBondContact O-N 3.1Å; D128-T130 VanDerWaalsContact C-N 3.32Å; D128-T130 PolarHBondContact O-N 2.94Å; D128-Q131 PolarHBondContact O-N 2.73Å; D128-D132 WeakPolarHBondContact O-CB 3.46Å; D128-D132 PolarHBondContact O-N 2.89Å
129E84.5Confident80.8Confident128 Ų128104.1 Ų104.160%0.59851%0.509SS*.Hα-helixtrans-61.9-37.6178-75.6178.8-172.600112.6R125 S133R125-E129 WeakPolarHBondContact O-CB 3.39Å; R125-E129 WeakPolarHBondContact O-CG 3.26Å; R125-E129 PolarHBondContact O-N 2.89Å; E129-S133 WeakPolarHBondContact O-CB 3.37Å; E129-S133 PolarHBondContact O-N 3.24Å; E129-S133 PolarHBondContact O-OG 2.89Å
130T82.9Confident81.1Confident65 Ų65103.7 Ų103.740%0.39950%0.501SS..Hα-helixtrans-72.4-37.7176.849.80000112.3I126 L127 D128 S133 I134I126-T130 HydrophobicContact CG2-CG2 4.35Å; I126-T130 WeakPolarHBondContact O-CB 3.44Å; I126-T130 VanDerWaalsContact O-CG2 3.26Å; I126-T130 WeakPolarHBondContact O-CG2 3.38Å; I126-T130 PolarHBondContact O-N 3.35Å; I126-T130 PolarHBondContact O-OG1 2.99Å; L127-T130 WeakPolarHBondContact CA-OG1 3.35Å; L127-T130 PolarHBondContact O-N 3.45Å; L127-T130 PolarHBondContact O-OG1 3.04Å; D128-T130 VanDerWaalsContact C-N 3.32Å; D128-T130 PolarHBondContact O-N 2.94Å; T130-S133 PolarHBondContact O-N 2.94Å; T130-I134 WeakPolarHBondContact O-CD1 3.47Å; T130-I134 VanDerWaalsContact O-CG1 3.23Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 3.29Å
131Q84.1Confident81.6Confident108 Ų108102.1 Ų102.151%0.50549%0.494SS..Hα-helixtrans-65-46.4174.5-176.7172.2-18.600111.2L127 D128 S133 I134 E135L127-Q131 VanDerWaalsContact O-CB 3.32Å; L127-Q131 WeakPolarHBondContact O-CB 3.33Å; L127-Q131 PolarHBondContact O-N 2.75Å; D128-Q131 PolarHBondContact O-N 2.73Å; Q131-S133 VanDerWaalsContact C-N 3.27Å; Q131-S133 PolarHBondContact O-N 3Å; Q131-I134 PolarHBondContact O-N 2.87Å; Q131-I134 VanDerWaalsContact O-N 3.15Å; Q131-E135 PolarHBondContact NE2-OE1 3.39Å; Q131-E135 VanDerWaalsContact NE2-OE1 3.1Å; Q131-E135 WeakPolarHBondContact O-CG 3.49Å; Q131-E135 PolarHBondContact O-N 3.42Å
132D86.8Confident82.1Confident105 Ų105105.1 Ų105.156%0.56151%0.508SS*.Hα-helixtrans-58.8-40.6175.1-76.6-7.9000111.4D128 E135 Y136D128-D132 WeakPolarHBondContact O-CB 3.46Å; D128-D132 PolarHBondContact O-N 2.89Å; D132-E135 PolarHBondContact O-N 3.15Å; D132-Y136 WeakPolarHBondContact O-CB 3.42Å; D132-Y136 PolarHBondContact O-N 2.94Å
133S83.3Confident82.4Confident76 Ų76106.3 Ų106.353%0.53152%0.515SS..Hα-helixtrans-65.6-40.1176.2-61.40000112.5E129 T130 Q131 Y136 Q137E129-S133 WeakPolarHBondContact O-CB 3.37Å; E129-S133 PolarHBondContact O-N 3.24Å; E129-S133 PolarHBondContact O-OG 2.89Å; T130-S133 PolarHBondContact O-N 2.94Å; Q131-S133 VanDerWaalsContact C-N 3.27Å; Q131-S133 PolarHBondContact O-N 3Å; S133-Y136 PolarHBondContact O-N 2.91Å; S133-Q137 WeakPolarHBondContact O-CB 3.34Å; S133-Q137 PolarHBondContact O-N 2.85Å
134I85.9Confident82.4Confident88 Ų88107 Ų10745%0.45152%0.515SS..Hα-helixtrans-66.8-40.5175.6-70.1163.8000110.5T130 Q131 Q137 R138T130-I134 WeakPolarHBondContact O-CD1 3.47Å; T130-I134 VanDerWaalsContact O-CG1 3.23Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 3.29Å; Q131-I134 PolarHBondContact O-N 2.87Å; Q131-I134 VanDerWaalsContact O-N 3.15Å; I134-Q137 PolarHBondContact O-N 3.37Å; I134-R138 WeakPolarHBondContact O-CB 3.44Å; I134-R138 WeakPolarHBondContact O-CG 3.32Å; I134-R138 PolarHBondContact O-N 2.88Å
135E87.2Confident82.3Confident80 Ų80105.4 Ų105.437%0.37452%0.522SS..Hα-helixtrans-66.5-41.5176.6-72.9-178-165.600111.7Q131 D132 R138 Q139Q131-E135 PolarHBondContact NE2-OE1 3.39Å; Q131-E135 VanDerWaalsContact NE2-OE1 3.1Å; Q131-E135 WeakPolarHBondContact O-CG 3.49Å; Q131-E135 PolarHBondContact O-N 3.42Å; D132-E135 PolarHBondContact O-N 3.15Å; E135-R138 PolarHBondContact O-N 2.94Å; E135-Q139 WeakPolarHBondContact O-CG 3.23Å; E135-Q139 PolarHBondContact O-N 3.36Å
136Y85.9Confident81.6Confident149 Ų149102 Ų10258%0.58453%0.532SS*.Hα-helixtrans-61.8-43.8172.9-176.9-108.1000111.9D132 S133 R138 Q139 I140D132-Y136 WeakPolarHBondContact O-CB 3.42Å; D132-Y136 PolarHBondContact O-N 2.94Å; S133-Y136 PolarHBondContact O-N 2.91Å; Y136-R138 PolarHBondContact O-N 2.82Å; Y136-Q139 WeakPolarHBondContact O-CB 3.4Å; Y136-Q139 PolarHBondContact O-N 3.47Å; Y136-I140 HydrophobicContact CD1-CD1 3.71Å; Y136-I140 HydrophobicContact CE1-CD1 3.33Å; Y136-I140 HydrophobicContact CE1-CG1 4.27Å; Y136-I140 HydrophobicContact CG-CD1 4.49Å; Y136-I140 WeakPolarHBondContact O-CG1 3.35Å; Y136-I140 PolarHBondContact O-N 3.49Å
137Q80.9Confident80.8Confident97 Ų97102 Ų10245%0.45354%0.54SS..Hα-helixtrans-62-42.9174.8-171.763.241.900111.4S133 I134 Q139 I140 D141S133-Q137 WeakPolarHBondContact O-CB 3.34Å; S133-Q137 PolarHBondContact O-N 2.85Å; I134-Q137 PolarHBondContact O-N 3.37Å; Q137-Q139 VanDerWaalsContact C-N 3.32Å; Q137-Q139 PolarHBondContact O-N 3.43Å; Q137-I140 WeakPolarHBondContact O-CB 3.3Å; Q137-I140 PolarHBondContact O-N 3.23Å; Q137-D141 PolarHBondContact NE2-OD1 3.13Å; Q137-D141 WeakPolarHBondContact O-CB 3.23Å; Q137-D141 PolarHBondContact O-N 3.48Å
138R86.9Confident80.2Confident163 Ų163100.5 Ų100.562%0.61553%0.532SS*.Hα-helixtrans-62.5-37.9174.9-76.7176.2-178167.53.8112.6I134 E135 Y136 D141 E142I134-R138 WeakPolarHBondContact O-CB 3.44Å; I134-R138 WeakPolarHBondContact O-CG 3.32Å; I134-R138 PolarHBondContact O-N 2.88Å; E135-R138 PolarHBondContact O-N 2.94Å; Y136-R138 PolarHBondContact O-N 2.82Å; R138-D141 PolarHBondContact O-N 3.4Å; R138-E142 VanDerWaalsContact O-CB 3.3Å; R138-E142 WeakPolarHBondContact O-CB 3.38Å; R138-E142 PolarHBondContact O-N 2.94Å
139Q82.4Confident79.5Confident111 Ų111100.1 Ų100.152%0.51953%0.534SS..Hα-helixtrans-64.5-41.7174.1-73.3173.528.900111.2E135 Y136 Q137 E142 M143E135-Q139 WeakPolarHBondContact O-CG 3.23Å; E135-Q139 PolarHBondContact O-N 3.36Å; Y136-Q139 WeakPolarHBondContact O-CB 3.4Å; Y136-Q139 PolarHBondContact O-N 3.47Å; Q137-Q139 VanDerWaalsContact C-N 3.32Å; Q137-Q139 PolarHBondContact O-N 3.43Å; Q139-E142 PolarHBondContact O-N 3.27Å; Q139-M143 WeakPolarHBondContact O-CB 3.41Å; Q139-M143 WeakPolarHBondContact O-CG 3.14Å; Q139-M143 PolarHBondContact O-N 3.18Å
140I79.9Confident78.8Confident51 Ų51101.4 Ų101.426%0.26254%0.54SS..Hα-helixtrans-59.6-50.2172-69.3166.6000110Y136 Q137 E142 M143 L144Y136-I140 HydrophobicContact CD1-CD1 3.71Å; Y136-I140 HydrophobicContact CE1-CD1 3.33Å; Y136-I140 HydrophobicContact CE1-CG1 4.27Å; Y136-I140 HydrophobicContact CG-CD1 4.49Å; Y136-I140 WeakPolarHBondContact O-CG1 3.35Å; Y136-I140 PolarHBondContact O-N 3.49Å; Q137-I140 WeakPolarHBondContact O-CB 3.3Å; Q137-I140 PolarHBondContact O-N 3.23Å; I140-E142 VanDerWaalsContact C-N 3.33Å; I140-E142 PolarHBondContact O-N 2.8Å; I140-M143 PolarHBondContact O-N 3.05Å; I140-L144 HydrophobicContact CG2-CD1 3.56Å; I140-L144 HydrophobicContact CG2-CG 4.18Å; I140-L144 WeakPolarHBondContact O-CB 3.21Å; I140-L144 VanDerWaalsContact O-CG 3.23Å; I140-L144 WeakPolarHBondContact O-CG 3.36Å; I140-L144 PolarHBondContact O-N 3.35Å
141D80.7Confident78.2Confident79 Ų79106 Ų10642%0.42256%0.557SS.*Hα-helixtrans-61.7-40.2-178.5-62.9-17.7000111.4Q137 R138 L144 A145Q137-D141 PolarHBondContact NE2-OD1 3.13Å; Q137-D141 WeakPolarHBondContact O-CB 3.23Å; Q137-D141 PolarHBondContact O-N 3.48Å; R138-D141 PolarHBondContact O-N 3.4Å; D141-L144 PolarHBondContact O-N 3.38Å; D141-A145 WeakPolarHBondContact O-CB 3.48Å; D141-A145 PolarHBondContact O-N 3.01Å
142E83.4Confident77.7Confident152 Ų152104.5 Ų104.571%0.7155%0.552SS**Hα-helixtrans-68.8-40.9177-173.5174.6-172.400112.1R138 Q139 I140 L144 G146R138-E142 VanDerWaalsContact O-CB 3.3Å; R138-E142 WeakPolarHBondContact O-CB 3.38Å; R138-E142 PolarHBondContact O-N 2.94Å; Q139-E142 PolarHBondContact O-N 3.27Å; I140-E142 VanDerWaalsContact C-N 3.33Å; I140-E142 PolarHBondContact O-N 2.8Å; E142-L144 VanDerWaalsContact C-N 3.33Å; E142-G146 PolarHBondContact O-N 2.87Å
143M78.1Confident76.9Confident149 Ų149104.1 Ų104.173%0.73455%0.547SS*.Hα-helixtrans-65.2-36.9174.3-73-177.377.400112.1Q139 I140Q139-M143 WeakPolarHBondContact O-CB 3.41Å; Q139-M143 WeakPolarHBondContact O-CG 3.14Å; Q139-M143 PolarHBondContact O-N 3.18Å; I140-M143 PolarHBondContact O-N 3.05Å
144L74Confident76.6Confident100 Ų100105.5 Ų105.552%0.52455%0.548SS..Hα-helixtrans-75.1-43177.7-70.1174000112I140 D141 E142 G146 S147I140-L144 HydrophobicContact CG2-CD1 3.56Å; I140-L144 HydrophobicContact CG2-CG 4.18Å; I140-L144 WeakPolarHBondContact O-CB 3.21Å; I140-L144 VanDerWaalsContact O-CG 3.23Å; I140-L144 WeakPolarHBondContact O-CG 3.36Å; I140-L144 PolarHBondContact O-N 3.35Å; D141-L144 PolarHBondContact O-N 3.38Å; E142-L144 VanDerWaalsContact C-N 3.33Å; L144-G146 PolarHBondContact O-N 3.05Å; L144-S147 PolarHBondContact O-N 3.1Å; L144-S147 VanDerWaalsContact O-N 3.09Å
145A73.4Confident76.3Confident83 Ų83104.1 Ų104.169%0.68655%0.55SS**Hα-helixtrans-64-24.9-178.800000113.5D141D141-A145 WeakPolarHBondContact O-CB 3.48Å; D141-A145 PolarHBondContact O-N 3.01Å
146G66.4Low76Confident74 Ų74104.2 Ų104.276%0.76356%0.556SS**THydrogen-bonded Turntrans-87.6-7.6175.800000115.2E142 L144E142-G146 PolarHBondContact O-N 2.87Å; L144-G146 PolarHBondContact O-N 3.05Å
147S63.8Low75.6Confident92 Ų92101.8 Ų101.864%0.64355%0.552SS**THydrogen-bonded Turntrans-118.2-11.6-166.3-165.80000115.7L144L144-S147 PolarHBondContact O-N 3.1Å; L144-S147 VanDerWaalsContact O-N 3.09Å
148L67.9Low75.6Confident73 Ų73100 Ų10038%0.38255%0.554SS.*  trans-96139.7177.5-104.675000111.6D152 E153 V156L148-D152 HydrophobicContact CB-CB 4.41Å; L148-D152 HydrophobicContact CD2-CB 4.06Å; L148-D152 HydrophobicContact CG-CB 3.81Å; L148-E153 HydrophobicContact CB-CG 4.2Å; L148-E153 HydrophobicContact CD2-CG 3.94Å; L148-V156 HydrophobicContact CD2-CG2 4.38Å
149T71.9Confident75.2Confident80 Ų8098.2 Ų98.249%0.49155%0.553SS.*  trans-90.6162.9168.269.20000110.6E151 D152 E153T149-E151 PolarHBondContact O-N 3.09Å; T149-D152 WeakPolarHBondContact CB-OD2 3.42Å; T149-D152 PolarHBondContact N-OD2 3.33Å; T149-D152 WeakPolarHBondContact O-CB 3.46Å; T149-D152 PolarHBondContact O-N 3.24Å; T149-D152 VanDerWaalsContact OG1-CG 3.28Å; T149-D152 PolarHBondContact OG1-OD2 3.28Å; T149-E153 PolarHBondContact O-N 2.81Å
150Q69.2Low74.9Confident154 Ų15497.7 Ų97.772%0.7255%0.553SS**Hα-helixtrans-60.6-28.1-178.2-157.8171.31300112.9D154Q150-D154 PolarHBondContact O-N 2.96Å
151E69.7Low74.8Confident163 Ų163101 Ų10176%0.76257%0.567SS**Hα-helixtrans-73.9-32.2174.1-64.9-178.1171.100112.4T149 A155T149-E151 PolarHBondContact O-N 3.09Å; E151-A155 PolarHBondContact O-N 3.06Å
152D73.3Confident74.7Confident75 Ų75100.1 Ų100.140%0.40157%0.571SS.*Hα-helixtrans-72.2-36.9175.5-59-51000111.2L148 T149 A155 V156L148-D152 HydrophobicContact CB-CB 4.41Å; L148-D152 HydrophobicContact CD2-CB 4.06Å; L148-D152 HydrophobicContact CG-CB 3.81Å; T149-D152 WeakPolarHBondContact CB-OD2 3.42Å; T149-D152 PolarHBondContact N-OD2 3.33Å; T149-D152 WeakPolarHBondContact O-CB 3.46Å; T149-D152 PolarHBondContact O-N 3.24Å; T149-D152 VanDerWaalsContact OG1-CG 3.28Å; T149-D152 PolarHBondContact OG1-OD2 3.28Å; D152-A155 PolarHBondContact O-N 3.43Å; D152-V156 VanDerWaalsContact O-CG2 3.29Å; D152-V156 WeakPolarHBondContact O-CG2 3.29Å; D152-V156 PolarHBondContact O-N 2.74Å
153E71.6Confident74Confident98 Ų9898.2 Ų98.246%0.45857%0.565SS.*Hα-helixtrans-62.6-43.8174.9-68.4-177.9166.800111.6L148 T149 A155 V156 L157L148-E153 HydrophobicContact CB-CG 4.2Å; L148-E153 HydrophobicContact CD2-CG 3.94Å; T149-E153 PolarHBondContact O-N 2.81Å; E153-A155 PolarHBondContact O-N 3.05Å; E153-V156 PolarHBondContact O-N 3.18Å; E153-L157 WeakPolarHBondContact O-CB 3.48Å; E153-L157 VanDerWaalsContact O-CG 3.29Å; E153-L157 WeakPolarHBondContact O-CG 3.29Å; E153-L157 PolarHBondContact O-N 3.17Å
154D76.5Confident73.4Confident105 Ų10595.2 Ų95.256%0.56156%0.555SS**Hα-helixtrans-65.1-36.9176.7-75.2-21.6000112.2Q150 A158Q150-D154 PolarHBondContact O-N 2.96Å; D154-A158 PolarHBondContact O-N 2.64Å
155A79.6Confident73Confident59 Ų5998 Ų9849%0.48857%0.565SS.*Hα-helixtrans-68.2-41.717600000112.5E151 D152 E153 A158 E159E151-A155 PolarHBondContact O-N 3.06Å; D152-A155 PolarHBondContact O-N 3.43Å; E153-A155 PolarHBondContact O-N 3.05Å; A155-A158 PolarHBondContact O-N 3.36Å; A155-E159 PolarHBondContact O-N 2.96Å
156V79.7Confident72.3Confident81 Ų8196.5 Ų96.549%0.49156%0.557SS.*Hα-helixtrans-65.4-39.8175.6170.60000111.1L148 D152 E153 E159 L160L148-V156 HydrophobicContact CD2-CG2 4.38Å; D152-V156 VanDerWaalsContact O-CG2 3.29Å; D152-V156 WeakPolarHBondContact O-CG2 3.29Å; D152-V156 PolarHBondContact O-N 2.74Å; E153-V156 PolarHBondContact O-N 3.18Å; V156-E159 PolarHBondContact O-N 3.4Å; V156-L160 WeakPolarHBondContact O-CB 3.33Å; V156-L160 PolarHBondContact O-N 3.48Å
157L79Confident71.9Confident98 Ų9899.5 Ų99.551%0.51356%0.556SS.*Hα-helixtrans-63.1-42.2175.2-74.3170.5000111.8E153 L160 E161E153-L157 WeakPolarHBondContact O-CB 3.48Å; E153-L157 VanDerWaalsContact O-CG 3.29Å; E153-L157 WeakPolarHBondContact O-CG 3.29Å; E153-L157 PolarHBondContact O-N 3.17Å; L157-L160 PolarHBondContact O-N 3.32Å; L157-E161 WeakPolarHBondContact O-CG 3.31Å; L157-E161 PolarHBondContact O-N 3.16Å
158A81Confident71.4Confident59 Ų59100.1 Ų100.149%0.48856%0.555SS.*Hα-helixtrans-64.3-38.7175.400000112.4D154 A155 A162D154-A158 PolarHBondContact O-N 2.64Å; A155-A158 PolarHBondContact O-N 3.36Å; A158-A162 WeakPolarHBondContact O-CB 3.48Å; A158-A162 PolarHBondContact O-N 3.08Å
159E78Confident70.9Confident126 Ų126105 Ų10559%0.58958%0.577SS**Hα-helixtrans-68.5-40.4175-169.2177.1175.500111.9A155 V156 A162 I163A155-E159 PolarHBondContact O-N 2.96Å; V156-E159 PolarHBondContact O-N 3.4Å; E159-A162 WeakPolarHBondContact O-CB 3.35Å; E159-A162 PolarHBondContact O-N 3.29Å; E159-I163 HydrophobicContact CG-CD1 4.15Å; E159-I163 WeakPolarHBondContact O-CG1 3.27Å; E159-I163 PolarHBondContact O-N 2.97Å
160L75.1Confident70.2Confident101 Ų101108.2 Ų108.253%0.52959%0.59SS.*Hα-helixtrans-63.3-42.1175.1-172.1111.8000111.8V156 L157 A162 I163 T164V156-L160 WeakPolarHBondContact O-CB 3.33Å; V156-L160 PolarHBondContact O-N 3.48Å; L157-L160 PolarHBondContact O-N 3.32Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-I163 PolarHBondContact O-N 2.85Å; L160-T164 WeakPolarHBondContact O-CB 3.32Å; L160-T164 WeakPolarHBondContact O-CG2 3.48Å; L160-T164 PolarHBondContact O-N 3.37Å; L160-T164 PolarHBondContact O-OG1 3.36Å
161E78.1Confident69.7Low119 Ų119106.3 Ų106.356%0.55659%0.591SS**Hα-helixtrans-62.8-39172.5-78.1-171.9176.300111.7L157 T164 Q165L157-E161 WeakPolarHBondContact O-CG 3.31Å; L157-E161 PolarHBondContact O-N 3.16Å; E161-T164 WeakPolarHBondContact CA-OG1 3.46Å; E161-T164 PolarHBondContact O-OG1 3.06Å; E161-Q165 WeakPolarHBondContact O-CB 3.34Å; E161-Q165 VanDerWaalsContact O-CG 3.27Å; E161-Q165 WeakPolarHBondContact O-CG 3.13Å; E161-Q165 PolarHBondContact O-N 3.03Å
162A78.6Confident69.3Low61 Ų61107.5 Ų107.550%0.50460%0.596SS.*Hα-helixtrans-67.1-38.5176.200000112.7A158 E159 L160 G166A158-A162 WeakPolarHBondContact O-CB 3.48Å; A158-A162 PolarHBondContact O-N 3.08Å; E159-A162 WeakPolarHBondContact O-CB 3.35Å; E159-A162 PolarHBondContact O-N 3.29Å; L160-A162 VanDerWaalsContact C-N 3.33Å; A162-G166 VanDerWaalsContact O-CA 3.28Å; A162-G166 WeakPolarHBondContact O-CA 3.46Å; A162-G166 PolarHBondContact O-N 2.92Å
163I69.3Low68.5Low113 Ų113110 Ų11058%0.57961%0.614SS**Hα-helixtrans-70.8-41.6176.8-67.1166.1000111E159 L160 Q165 G166 D167E159-I163 HydrophobicContact CG-CD1 4.15Å; E159-I163 WeakPolarHBondContact O-CG1 3.27Å; E159-I163 PolarHBondContact O-N 2.97Å; L160-I163 PolarHBondContact O-N 2.85Å; I163-Q165 VanDerWaalsContact C-N 3.33Å; I163-Q165 PolarHBondContact O-N 2.99Å; I163-G166 PolarHBondContact O-N 3.15Å; I163-G166 VanDerWaalsContact O-N 3.16Å; I163-D167 PolarHBondContact O-N 3.18Å
164T65Low67.9Low85 Ų85110.5 Ų110.552%0.52163%0.626SS.*Hα-helixtrans-70.6-27.4178.147.30000113.3L160 E161L160-T164 WeakPolarHBondContact O-CB 3.32Å; L160-T164 WeakPolarHBondContact O-CG2 3.48Å; L160-T164 PolarHBondContact O-N 3.37Å; L160-T164 PolarHBondContact O-OG1 3.36Å; E161-T164 WeakPolarHBondContact CA-OG1 3.46Å; E161-T164 PolarHBondContact O-OG1 3.06Å
165Q66.3Low67.1Low160 Ų160111.5 Ų111.575%0.74864%0.641SS**Hα-helixtrans-83.7-21.7168.8-69.3175.622.700112.8E161 I163E161-Q165 WeakPolarHBondContact O-CB 3.34Å; E161-Q165 VanDerWaalsContact O-CG 3.27Å; E161-Q165 WeakPolarHBondContact O-CG 3.13Å; E161-Q165 PolarHBondContact O-N 3.03Å; I163-Q165 VanDerWaalsContact C-N 3.33Å; I163-Q165 PolarHBondContact O-N 2.99Å
166G58.9Low66.1Low50 Ų50116.6 Ų116.652%0.51566%0.655SS.*Hα-helixtrans-87.2-12.9-169.600000116.5A162 I163A162-G166 VanDerWaalsContact O-CA 3.28Å; A162-G166 WeakPolarHBondContact O-CA 3.46Å; A162-G166 PolarHBondContact O-N 2.92Å; I163-G166 PolarHBondContact O-N 3.15Å; I163-G166 VanDerWaalsContact O-N 3.16Å
167D56.7Low65.1Low138 Ų138118.7 Ų118.774%0.73867%0.67SS**  trans-156.687.2170.6-102.3-31.6000111I163I163-D167 PolarHBondContact O-N 3.18Å
168V53.2Low64Low104 Ų104121.6 Ų121.663%0.6369%0.685SS**  trans-128.255151.6-166.60000108.1L170V168-L170 HydrophobicContact CG1-CD1 4.08Å; V168-L170 HydrophobicContact CG1-CD2 4.44Å; V168-L170 HydrophobicContact CG1-CG 3.71Å; V168-L170 PolarHBondContact O-N 2.75Å; V168-L170 VanDerWaalsContact O-N 3.15Å
169E57.7Low62.8Low177 Ų177124.5 Ų124.583%0.82770%0.699SS**  trans-73.587.9146-82.3-169.216300106.3P171E169-P171 WeakPolarHBondContact O-CD 3.43Å; E169-P171 VanDerWaalsContact O-N 3.13Å
170L58.5Low61.5Low146 Ų146127.8 Ų127.876%0.76471%0.714SS**  trans-58.8114.6163.2-76.1161.8000106.5V168 E172V168-L170 HydrophobicContact CG1-CD1 4.08Å; V168-L170 HydrophobicContact CG1-CD2 4.44Å; V168-L170 HydrophobicContact CG1-CG 3.71Å; V168-L170 PolarHBondContact O-N 2.75Å; V168-L170 VanDerWaalsContact O-N 3.15Å; L170-E172 PolarHBondContact O-N 2.94Å
171P57.5Low60.2Low114 Ų114126.9 Ų126.974%0.7472%0.721SS**PPolyproline II helixtrans-60.2134.1172.723.6-30.4000108.3E169 V173E169-P171 WeakPolarHBondContact O-CD 3.43Å; E169-P171 VanDerWaalsContact O-N 3.13Å; P171-V173 PolarHBondContact O-N 2.96Å; P171-V173 VanDerWaalsContact O-N 3.16Å
172E62.4Low58.7Low188 Ų188127.4 Ų127.488%0.87974%0.735SS**PPolyproline II helixtrans-50.4125.5175.2-79.2-173.3153.300109.4L170 P174L170-E172 PolarHBondContact O-N 2.94Å; E172-P174 VanDerWaalsContact O-CD 3.31Å; E172-P174 WeakPolarHBondContact O-CD 3.28Å; E172-P174 VanDerWaalsContact O-N 3.13Å
173V56Low56.9Low129 Ų129131.4 Ų131.478%0.78274%0.744SS**PPolyproline II helixtrans-52.3120.5176.6-177.70000107.9P171 S175P171-V173 PolarHBondContact O-N 2.96Å; P171-V173 VanDerWaalsContact O-N 3.16Å; V173-S175 PolarHBondContact O-N 3.39Å
174P58.5Low55.4Low107 Ų107130 Ų13070%0.69575%0.749SS**PPolyproline II helixtrans-54.8117.6176-26.835000109.8E172 E176E172-P174 VanDerWaalsContact O-CD 3.31Å; E172-P174 WeakPolarHBondContact O-CD 3.28Å; E172-P174 VanDerWaalsContact O-N 3.13Å; P174-E176 PolarHBondContact O-N 3.19Å; P174-E176 VanDerWaalsContact O-N 3.08Å
175S60Low54.6Low126 Ų126130.7 Ų130.788%0.88176%0.763SS**  trans-84.949175.225.10000110.5V173V173-S175 PolarHBondContact O-N 3.39Å
176E58.9Low53.2Low166 Ų166131.3 Ų131.378%0.77676%0.763SS**PPolyproline II helixtrans-89.5127.6168.3-71.9-170.6168.500109.3P174 L178P174-E176 PolarHBondContact O-N 3.19Å; P174-E176 VanDerWaalsContact O-N 3.08Å; E176-L178 PolarHBondContact O-N 3.01Å
177P59.4Low52.1Low125 Ų125138.7 Ų138.781%0.81278%0.781SS**PPolyproline II helixtrans-63.8121.6176.125.5-30.9000109.2
178L55.1Low51.3Low159 Ų159141 Ų14183%0.83279%0.785SS**PPolyproline II helixtrans-53.1139.8173.6-70.7163.9000110.1E176 E180E176-L178 PolarHBondContact O-N 3.01Å; L178-E180 PolarHBondContact O-N 2.9Å
179P56.6Low50.5Low121 Ų121142.2 Ų142.279%0.78680%0.795SS**PPolyproline II helixtrans-60.2128.1175.223.6-31000109.8A181P179-A181 PolarHBondContact O-N 3.16Å; P179-A181 VanDerWaalsContact O-N 3.1Å
180E50.2Low49.8Very low194 Ų194139.9 Ų139.991%0.90779%0.792SS**PPolyproline II helixtrans-56.6116.5178.1-77.3-178.8154.900110.1L178L178-E180 PolarHBondContact O-N 2.9Å
181A46.7Very low48.6Very low82 Ų82138.2 Ų138.268%0.67879%0.793SS**PPolyproline II helixtrans-56.5140.8165.200000109.1P179 E183P179-A181 PolarHBondContact O-N 3.16Å; P179-A181 VanDerWaalsContact O-N 3.1Å; A181-E183 PolarHBondContact O-N 2.84Å
182P46.3Very low47.6Very low130 Ų130140.7 Ų140.784%0.84480%0.795SS**PPolyproline II helixtrans-58.7117.1-172.621.3-31.4000110.7A184P182-A184 PolarHBondContact O-N 3.48Å
183E41Very low46.2Very low146 Ų146138.5 Ų138.568%0.68279%0.789SS**  trans-62108.9-176.4-152.1-176.8-179.100109.7A181 A185 K186A181-E183 PolarHBondContact O-N 2.84Å; E183-A185 PolarHBondContact O-N 3.15Å; E183-A185 VanDerWaalsContact O-N 3.13Å; E183-K186 IonicContact OE1-NZ 3.92Å; E183-K186 PolarHBondContact OE1-NZ 3.33Å
184A39Very low45.2Very low84 Ų84140 Ų14069%0.69479%0.793SS**  trans-56.6116168.200000109.7P182 K186P182-A184 PolarHBondContact O-N 3.48Å; A184-K186 PolarHBondContact O-N 3.4Å
185A48.3Very low44.2Very low99 Ų99145.5 Ų145.582%0.81880%0.8SS**  trans29.786.3146.800000116.5E183E183-A185 PolarHBondContact O-N 3.15Å; E183-A185 VanDerWaalsContact O-N 3.13Å
186K36.9Very low43.3Very low172 Ų172145 Ų14575%0.74879%0.793SS**  trans-97.6116.9159.4-79.6175.1-174.1154.70111.3E183 A184E183-K186 IonicContact OE1-NZ 3.92Å; E183-K186 PolarHBondContact OE1-NZ 3.33Å; A184-K186 PolarHBondContact O-N 3.4Å
187K36.1Very low42.2Very low205 Ų205147.6 Ų147.689%0.89180%0.796SS**  trans-56.4148.7172-70.2168.6175.8172.70111.4
188K39Very low41Very low186 Ų186150.5 Ų150.581%0.80980%0.796SS**  trans-42.6160172.5-58.8177.4177.5-177.70114
189P36.4Very low40Very low131 Ų131151.3 Ų151.385%0.85179%0.793SS**  -131.9166.6109.634.2-22.1000114.1
190V42.8Very low38.9Very low127 Ų127152.6 Ų152.677%0.7779%0.788SS**  trans-100.7144.1-168.9-176.40000109.6
191S33.5Very low38.4Very low112 Ų112151.6 Ų151.678%0.78378%0.784SS**  trans-164.2105152.2-179.20000106.1
192E37.3Very low38.1Very low166 Ų166157.7 Ų157.778%0.77679%0.789SS**  62.3124.475.9-160.1164.5-157.500113.6
193N33Very low37.8Very low141 Ų141158.4 Ų158.475%0.75478%0.781SS**  trans81.292.5178.5-67.8-18.1000118.6
194D34.5Very low37.8Very low161 Ų161158.2 Ų158.286%0.86178%0.784SS**  -163.8122.7103-109.3-32.9000112.2
195R37.2Very low37.8Very low222 Ų222161 Ų16184%0.83879%0.787SS**  trans-113.8141.3161.4-75.8-177.2179.3-177.2-0106.6
196P41.3Very low37.5Very low116 Ų116160.6 Ų160.675%0.75378%0.783SS**  -139.1133.199.420.30.4000112.5
197R35.4Very low37.7Very low220 Ų220162.8 Ų162.883%0.8381%0.811SS**  52.511691.4-78.4-174.1175-176.50.8112.8
198K33.9Very low37.8Very low187 Ų187160.7 Ų160.781%0.81381%0.807SS**  -175.5139.564.9-103.6166.9178.9179.50108.8
199K33.9Very low37.7Very low175 Ų175159.4 Ų159.476%0.76181%0.806SS**  46.6131.1108-82.4-173.5173-171.30114
200Q34.9Very low37.8Very low149 Ų149160.9 Ų160.970%0.69680%0.804SS**  cis177.513939.3-118.8161.6-40.900104.7
201E39.4Very low37.5Very low172 Ų172162.9 Ų162.980%0.80481%0.806SS**  156.1118.698.8-104.4164.3176.800105.1
202R39.5Very low37.7Very low210 Ų210166.1 Ų166.179%0.79281%0.807SS**  61.3122.493.6-98.4-167.4168.6-152.7-3.7116.1
203E39.5Very low37.7Very low145 Ų145166.1 Ų166.168%0.67881%0.809SS**  trans68.7122.9152.9-57.2174.5-179.100114.8
204L41.3Very low38.1Very low142 Ų142167.9 Ų167.974%0.74381%0.813SS**  179.4155.873.2-84.6169.9000110.4
205L40.6Very low38.3Very low144 Ų144168.5 Ų168.575%0.75481%0.81SS**  trans71.7107.7151.7-64.5147.1000116.3
206A40Very low38.4Very low90 Ų90164 Ų16474%0.74481%0.807SS**  46.686.459.400000112.8
207V41.5Very low38.2Very low218 Ų218168.4 Ų168.4100%1.32181%0.812SS**  trans-1430138179.80000107.1

Retrieved 207 of 207 residues in 61.7 ms (Link to these results)