A0A087Y4X9_POEFO Loading...

Proline-serine-threonine phosphatase interacting protein 2

AlphaFold DB , UniProt , Accession A0A087Y4X9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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
1M48.7Very low87.7Confident236 Ų236110.5 Ų110.5100%1.16352%0.519SS*.  0142.80-70.6172.7-164.600107.8
2K64.8Low88Confident193 Ų193103.9 Ų103.984%0.83949%0.494SS*.PPolyproline II helixtrans-71129.2172.5-73.5-177.7177.3-179.50108.2L4K2-L4 PolarHBondContact O-N 3.29Å
3N81.9Confident88Confident132 Ų132107.2 Ų107.271%0.70653%0.529SS*.PPolyproline II helixtrans-69.8121.2170.6-70.6-18.9000107.8
4L93.6Very high88.3Confident123 Ų123105.1 Ų105.164%0.64452%0.521SS*.PPolyproline II helixtrans-99.7124.5178.6-60174.9000107.7K2 F9K2-L4 PolarHBondContact O-N 3.29Å; L4-F9 HydrophobicContact CB-CD2 4.47Å; L4-F9 HydrophobicContact CB-CE2 4.22Å; L4-F9 HydrophobicContact CD2-CD2 4.33Å; L4-F9 HydrophobicContact CD2-CE2 3.52Å; L4-F9 HydrophobicContact CD2-CZ 3.66Å; L4-F9 HydrophobicContact CG-CE2 4.49Å
5H96.6Very high88.3Confident64 Ų64100.8 Ų100.830%0.29650%0.5SS..  trans-118.9147.1-179.5-63.3-72.4000112.6K7 D8 F9 E216H5-K7 HydrophobicContact CB-CG 3.95Å; H5-K7 PolarHBondContact O-N 3.39Å; H5-D8 WeakPolarHBondContact CB-OD2 3.44Å; H5-D8 IonicContact CD2-OD2 2.77Å; H5-D8 IonicContact CG-OD2 3Å; H5-D8 PolarHBondContact O-N 3.15Å; H5-F9 WeakPolarHBondContact O-CD2 3.16Å; H5-F9 PolarHBondContact O-N 3.38Å; H5-E216 WeakPolarHBondContact CA-OE1 3.46Å; H5-E216 IonicContact CE1-OE2 3.63Å; H5-E216 IonicContact CG-OE2 3.15Å; H5-E216 IonicContact ND1-OE1 2.84Å; H5-E216 IonicContact ND1-OE2 3.72Å; H5-E216 PolarHBondContact ND1-OE2 2.64Å
6F97.9Very high88.4Confident31 Ų3197.8 Ų97.814%0.13649%0.489CS..Hα-helixtrans-54.3-42.9177.4-75.87.8000112.3D8 F9 F10 I24 Y27 C212 F215 E216F6-D8 PolarHBondContact O-N 2.92Å; F6-D8 VanDerWaalsContact O-N 3.11Å; F6-F9 PolarHBondContact O-N 2.83Å; F6-F10 HydrophobicContact CB-CD2 4.1Å; F6-F10 HydrophobicContact CB-CE2 4.4Å; F6-F10 HydrophobicContact CD1-CD2 4.16Å; F6-F10 AromaticContact CD1-CE2 3.59Å; F6-F10 HydrophobicContact CD1-CE2 3.59Å; F6-F10 HydrophobicContact CD1-CZ 4.36Å; F6-F10 HydrophobicContact CE1-CE2 4.06Å; F6-F10 HydrophobicContact CE1-CZ 4.44Å; F6-F10 HydrophobicContact CG-CD2 4.25Å; F6-F10 HydrophobicContact CG-CE2 4.09Å; F6-F10 WeakPolarHBondContact O-CD2 2.89Å; F6-F10 PolarHBondContact O-N 3.43Å; F6-F10 VanDerWaalsContact O-N 3.09Å; F6-I24 HydrophobicContact CB-CD1 4.11Å; F6-I24 HydrophobicContact CD2-CD1 3.96Å; F6-I24 HydrophobicContact CD2-CG1 4.06Å; F6-I24 HydrophobicContact CD2-CG2 3.99Å; F6-I24 HydrophobicContact CE2-CG1 4.35Å; F6-I24 HydrophobicContact CE2-CG2 3.92Å; F6-I24 HydrophobicContact CG-CD1 4.21Å; F6-I24 HydrophobicContact CG-CG1 4.48Å; F6-Y27 HydrophobicContact CZ-CD1 4.1Å; F6-Y27 HydrophobicContact CZ-CE1 4.06Å; F6-C212 HydrophobicContact CB-CB 3.85Å; F6-F215 HydrophobicContact CD2-CB 4.36Å; F6-E216 HydrophobicContact CB-CB 4.31Å; F6-E216 HydrophobicContact CD1-CB 4.47Å; F6-E216 HydrophobicContact CD1-CG 4.49Å; F6-E216 WeakPolarHBondContact CD1-OE1 3.38Å; F6-E216 HydrophobicContact CD2-CB 3.76Å; F6-E216 HydrophobicContact CE2-CB 4.18Å; F6-E216 HydrophobicContact CG-CB 3.93Å; F6-E216 HydrophobicContact CG-CG 4.41Å; F6-E216 PolarHBondContact N-OE1 3.1Å
7K96.9Very high88.7Confident63 Ų6394.2 Ų94.227%0.27448%0.476SS..Hα-helixtrans-63.7-16.4179.364.7170176.4-170.60114.5H5 W11 V209 C212 E213H5-K7 HydrophobicContact CB-CG 3.95Å; H5-K7 PolarHBondContact O-N 3.39Å; K7-W11 WeakPolarHBondContact O-CZ2 3.24Å; K7-W11 PolarHBondContact O-NE1 3.46Å; K7-V209 HydrophobicContact CB-CG1 4.08Å; K7-V209 HydrophobicContact CD-CG1 3.87Å; K7-C212 HydrophobicContact CB-CB 3.85Å; K7-E213 HydrophobicContact CD-CG 3.95Å; K7-E213 WeakPolarHBondContact CD-OE1 3.4Å; K7-E213 WeakPolarHBondContact CE-OE1 3.33Å; K7-E213 IonicContact NZ-OE1 3.93Å; K7-E213 PolarHBondContact NZ-OE1 3.24Å
8D96.4Very high89.1Confident79 Ų7991.3 Ų91.342%0.42246%0.464SS..Hα-helixtrans-96.8-23.3-176.8-62.1-31.6000111.8H5 F6H5-D8 WeakPolarHBondContact CB-OD2 3.44Å; H5-D8 IonicContact CD2-OD2 2.77Å; H5-D8 IonicContact CG-OD2 3Å; H5-D8 PolarHBondContact O-N 3.15Å; F6-D8 PolarHBondContact O-N 2.92Å; F6-D8 VanDerWaalsContact O-N 3.11Å
9F96.3Very high89.5Confident133 Ų13389.5 Ų89.558%0.58346%0.464SS*.Hα-helixtrans-125.5-10.5-167.2-65.2-76.4000115.6L4 H5 F6 W11L4-F9 HydrophobicContact CB-CD2 4.47Å; L4-F9 HydrophobicContact CB-CE2 4.22Å; L4-F9 HydrophobicContact CD2-CD2 4.33Å; L4-F9 HydrophobicContact CD2-CE2 3.52Å; L4-F9 HydrophobicContact CD2-CZ 3.66Å; L4-F9 HydrophobicContact CG-CE2 4.49Å; H5-F9 WeakPolarHBondContact O-CD2 3.16Å; H5-F9 PolarHBondContact O-N 3.38Å; F6-F9 PolarHBondContact O-N 2.83Å; F9-W11 PolarHBondContact O-N 3.09Å
10F96.9Very high89.9Confident62 Ų6285.5 Ų85.527%0.27245%0.445SS..  trans-102.953.3179.5-68.7-96.4000111.9F6 G20 A23 I24 H208F6-F10 HydrophobicContact CB-CD2 4.1Å; F6-F10 HydrophobicContact CB-CE2 4.4Å; F6-F10 HydrophobicContact CD1-CD2 4.16Å; F6-F10 AromaticContact CD1-CE2 3.59Å; F6-F10 HydrophobicContact CD1-CE2 3.59Å; F6-F10 HydrophobicContact CD1-CZ 4.36Å; F6-F10 HydrophobicContact CE1-CE2 4.06Å; F6-F10 HydrophobicContact CE1-CZ 4.44Å; F6-F10 HydrophobicContact CG-CD2 4.25Å; F6-F10 HydrophobicContact CG-CE2 4.09Å; F6-F10 WeakPolarHBondContact O-CD2 2.89Å; F6-F10 PolarHBondContact O-N 3.43Å; F6-F10 VanDerWaalsContact O-N 3.09Å; F10-G20 WeakPolarHBondContact CD1-O 3.45Å; F10-A23 HydrophobicContact CD1-CB 4.33Å; F10-A23 HydrophobicContact CE1-CB 4.17Å; F10-I24 HydrophobicContact CB-CD1 3.62Å; F10-I24 HydrophobicContact CB-CG1 4.25Å; F10-I24 HydrophobicContact CD1-CD1 3.94Å; F10-I24 HydrophobicContact CD1-CG1 3.58Å; F10-I24 HydrophobicContact CD2-CD1 4.05Å; F10-I24 HydrophobicContact CD2-CG1 4.23Å; F10-I24 HydrophobicContact CE1-CG1 3.85Å; F10-I24 HydrophobicContact CE2-CG1 4.45Å; F10-I24 HydrophobicContact CG-CD1 3.6Å; F10-I24 HydrophobicContact CG-CG1 3.76Å; F10-I24 HydrophobicContact CZ-CG1 4.26Å; F10-H208 PolarHBondContact O-NE2 3.32Å
11W94.9Very high90.2Very high99 Ų9981.9 Ų81.938%0.37543%0.426SS..  trans-100.3157.8174.2-63109.6000111.6K7 F9 W204 L205 H208 V209K7-W11 WeakPolarHBondContact O-CZ2 3.24Å; K7-W11 PolarHBondContact O-NE1 3.46Å; F9-W11 PolarHBondContact O-N 3.09Å; W11-W204 HydrophobicContact CE3-CH2 4.34Å; W11-W204 HydrophobicContact CZ3-CH2 4.24Å; W11-W204 HydrophobicContact CZ3-CZ3 4.27Å; W11-L205 HydrophobicContact CE3-CD2 4.38Å; W11-L205 HydrophobicContact CH2-CD2 4.08Å; W11-L205 HydrophobicContact CZ3-CD2 3.61Å; W11-H208 AromaticContact CE3-CD2 3.69Å; W11-H208 AromaticContact CE3-NE2 3.98Å; W11-H208 AromaticContact CH2-CD2 3.54Å; W11-H208 HydrophobicContact CZ3-CB 4.26Å; W11-H208 AromaticContact CZ3-CD2 3.21Å; W11-H208 WeakPolarHBondContact CZ3-CD2 3.34Å; W11-H208 AromaticContact CZ3-CG 3.93Å; W11-H208 AromaticContact CZ3-NE2 3.97Å; W11-V209 HydrophobicContact CH2-CG2 3.64Å; W11-V209 HydrophobicContact CZ2-CG2 3.82Å
12C91.3Very high92.6Very high32 Ų3274.3 Ų74.322%0.21639%0.39CS..  trans-123.7131.5170.8-63.20000110D14 G20C12-D14 VanDerWaalsContact C-N 3.29Å; C12-D14 PolarHBondContact O-N 2.92Å; C12-G20 PolarHBondContact SG-N 3.38Å
13P88.3Confident94.2Very high146 Ų14667.5 Ų67.595%0.94837%0.37SS*.SBendtrans-65.4-31.6176.7-22.833.3000113.5
14D91.2Very high95Very high78 Ų7861.3 Ų61.342%0.41734%0.337SS..SBendtrans-79.6125.617417323.2000110.4C12 T16 S17C12-D14 VanDerWaalsContact C-N 3.29Å; C12-D14 PolarHBondContact O-N 2.92Å; D14-T16 PolarHBondContact O-N 2.92Å; D14-T16 PolarHBondContact OD1-N 3.34Å; D14-T16 PolarHBondContact OD1-OG1 3.13Å; D14-T16 PolarHBondContact OD2-OG1 3.03Å; D14-S17 PolarHBondContact O-N 3.25Å; D14-S17 VanDerWaalsContact O-N 3.14Å; D14-S17 PolarHBondContact OD2-N 3.24Å
15L88.2Confident95.2Very high41 Ų4156.5 Ų56.522%0.21531%0.311CS..THydrogen-bonded Turntrans-59.4-30.9-179.4-172.466.8000112.4K129 F133 L197 R201L15-K129 HydrophobicContact CD1-CD 3.97Å; L15-K129 HydrophobicContact CD1-CG 4.45Å; L15-K129 HydrophobicContact CG-CD 4.21Å; L15-K129 HydrophobicContact CG-CG 4.34Å; L15-K129 WeakPolarHBondContact O-CD 3.47Å; L15-K129 WeakPolarHBondContact O-CE 3.48Å; L15-K129 PolarHBondContact O-NZ 2.94Å; L15-F133 HydrophobicContact CD2-CB 4.46Å; L15-F133 HydrophobicContact CD2-CD2 3.54Å; L15-F133 HydrophobicContact CD2-CE2 4.06Å; L15-F133 HydrophobicContact CD2-CG 4.26Å; L15-L197 HydrophobicContact CD2-CD1 4.07Å; L15-L197 HydrophobicContact CD2-CD2 4.22Å; L15-L197 HydrophobicContact CD2-CG 4.4Å; L15-R201 HydrophobicContact CD1-CB 4.46Å; L15-R201 HydrophobicContact CD1-CG 3.78Å
16T90.5Very high95.3Very high52 Ų5258.1 Ų58.132%0.31932%0.319SS..THydrogen-bonded Turntrans-89-12.5-179.256.10000114.5D14 F133D14-T16 PolarHBondContact O-N 2.92Å; D14-T16 PolarHBondContact OD1-N 3.34Å; D14-T16 PolarHBondContact OD1-OG1 3.13Å; D14-T16 PolarHBondContact OD2-OG1 3.03Å; T16-F133 HydrophobicContact CG2-CB 4.28Å; T16-F133 HydrophobicContact CG2-CD1 3.39Å; T16-F133 HydrophobicContact CG2-CE1 3.86Å; T16-F133 HydrophobicContact CG2-CG 3.95Å
17S94.2Very high95.3Very high38 Ų3861.1 Ų61.127%0.26633%0.33SS..  trans-76.9144.5-178.2-178.20000112.4D14 A19D14-S17 PolarHBondContact O-N 3.25Å; D14-S17 VanDerWaalsContact O-N 3.14Å; D14-S17 PolarHBondContact OD2-N 3.24Å; S17-A19 PolarHBondContact OG-N 3.4Å
18T95.6Very high95.4Very high42 Ų4258.3 Ų58.326%0.25832%0.318SS..  trans-117.86.3177.353.30000112.7G20 Y21 D22 H126T18-G20 VanDerWaalsContact C-N 3.28Å; T18-G20 PolarHBondContact O-N 2.92Å; T18-G20 VanDerWaalsContact O-N 3.09Å; T18-Y21 WeakPolarHBondContact O-CA 3.33Å; T18-Y21 WeakPolarHBondContact O-CB 3.45Å; T18-Y21 PolarHBondContact O-N 3.27Å; T18-D22 VanDerWaalsContact C-OD2 3.31Å; T18-D22 WeakPolarHBondContact CB-OD2 3.47Å; T18-D22 VanDerWaalsContact O-CG 3.3Å; T18-D22 PolarHBondContact O-N 3.35Å; T18-D22 PolarHBondContact OG1-OD2 3.26Å; T18-H126 HydrophobicContact CG2-CB 4.36Å
19A97Very high95.5Very high56 Ų5657.5 Ų57.546%0.46331%0.314SS..Hα-helixtrans-54.7-38.3-168.200000114.4S17 D22 A23S17-A19 PolarHBondContact OG-N 3.4Å; A19-D22 PolarHBondContact O-N 3.31Å; A19-A23 WeakPolarHBondContact O-CB 3.46Å; A19-A23 PolarHBondContact O-N 3.26Å
20G96.6Very high95.6Very high9 Ų953.8 Ų53.89%0.09330%0.3CS..Hα-helixtrans-65.6-42.9175.900000112.8F10 C12 T18 I24F10-G20 WeakPolarHBondContact CD1-O 3.45Å; C12-G20 PolarHBondContact SG-N 3.38Å; T18-G20 VanDerWaalsContact C-N 3.28Å; T18-G20 PolarHBondContact O-N 2.92Å; T18-G20 VanDerWaalsContact O-N 3.09Å; G20-I24 PolarHBondContact O-N 3.47Å
21Y97.3Very high95.6Very high11 Ų1151 Ų514%0.04329%0.288CS..Hα-helixtrans-64.2-46.7173.9171-95.4000111T18 A23 I24 I25 E119 M122 H126 F215T18-Y21 WeakPolarHBondContact O-CA 3.33Å; T18-Y21 WeakPolarHBondContact O-CB 3.45Å; T18-Y21 PolarHBondContact O-N 3.27Å; Y21-A23 VanDerWaalsContact C-N 3.28Å; Y21-A23 PolarHBondContact O-N 3.04Å; Y21-I24 PolarHBondContact O-N 2.89Å; Y21-I24 VanDerWaalsContact O-N 3.07Å; Y21-I25 HydrophobicContact CD1-CG1 4.03Å; Y21-I25 HydrophobicContact CD2-CG1 4.33Å; Y21-I25 HydrophobicContact CE1-CD1 4.38Å; Y21-I25 HydrophobicContact CE1-CG1 3.62Å; Y21-I25 HydrophobicContact CE2-CD1 3.94Å; Y21-I25 HydrophobicContact CE2-CG1 3.92Å; Y21-I25 HydrophobicContact CG-CG1 4.37Å; Y21-I25 WeakPolarHBondContact O-CG1 3.31Å; Y21-I25 PolarHBondContact O-N 2.96Å; Y21-E119 WeakPolarHBondContact OH-CA 3.45Å; Y21-M122 HydrophobicContact CD2-CB 4.5Å; Y21-M122 HydrophobicContact CD2-CE 4.21Å; Y21-M122 HydrophobicContact CE2-CB 3.68Å; Y21-M122 HydrophobicContact CE2-CE 4.42Å; Y21-M122 HydrophobicContact CE2-CG 3.82Å; Y21-H126 AromaticContact CD1-CE1 3.68Å; Y21-H126 AromaticContact CG-CE1 3.72Å; Y21-F215 HydrophobicContact CD2-CE2 4.33Å; Y21-F215 AromaticContact CE2-CE2 3.84Å; Y21-F215 HydrophobicContact CE2-CE2 3.84Å; Y21-F215 HydrophobicContact CE2-CZ 4.35Å
22D97.8Very high95.8Very high77 Ų7748.9 Ų48.941%0.41228%0.282SS..Hα-helixtrans-60.4-38.8-179.3-60.8-33000111.7T18 A19 I25 Q26T18-D22 VanDerWaalsContact C-OD2 3.31Å; T18-D22 WeakPolarHBondContact CB-OD2 3.47Å; T18-D22 VanDerWaalsContact O-CG 3.3Å; T18-D22 PolarHBondContact O-N 3.35Å; T18-D22 PolarHBondContact OG1-OD2 3.26Å; A19-D22 PolarHBondContact O-N 3.31Å; D22-I25 PolarHBondContact O-N 3.07Å; D22-Q26 WeakPolarHBondContact O-CB 3.43Å; D22-Q26 PolarHBondContact O-N 3.34Å
23A98.4Very high96.1Very high49 Ų4954.5 Ų54.541%0.40530%0.299SS..Hα-helixtrans-62.1-41.9174.600000112.6F10 A19 Y21 Y27F10-A23 HydrophobicContact CD1-CB 4.33Å; F10-A23 HydrophobicContact CE1-CB 4.17Å; A19-A23 WeakPolarHBondContact O-CB 3.46Å; A19-A23 PolarHBondContact O-N 3.26Å; Y21-A23 VanDerWaalsContact C-N 3.28Å; Y21-A23 PolarHBondContact O-N 3.04Å; A23-Y27 PolarHBondContact O-N 2.97Å; A23-Y27 VanDerWaalsContact O-N 3.07Å
24I98.4Very high96.6Very high2 Ų250.1 Ų50.11%0.0127%0.269CS..Hα-helixtrans-65.4-46.3175.7-66.2168.1000110.4F6 F10 G20 Y21 Q26 Y27 L28 F215F6-I24 HydrophobicContact CB-CD1 4.11Å; F6-I24 HydrophobicContact CD2-CD1 3.96Å; F6-I24 HydrophobicContact CD2-CG1 4.06Å; F6-I24 HydrophobicContact CD2-CG2 3.99Å; F6-I24 HydrophobicContact CE2-CG1 4.35Å; F6-I24 HydrophobicContact CE2-CG2 3.92Å; F6-I24 HydrophobicContact CG-CD1 4.21Å; F6-I24 HydrophobicContact CG-CG1 4.48Å; F10-I24 HydrophobicContact CB-CD1 3.62Å; F10-I24 HydrophobicContact CB-CG1 4.25Å; F10-I24 HydrophobicContact CD1-CD1 3.94Å; F10-I24 HydrophobicContact CD1-CG1 3.58Å; F10-I24 HydrophobicContact CD2-CD1 4.05Å; F10-I24 HydrophobicContact CD2-CG1 4.23Å; F10-I24 HydrophobicContact CE1-CG1 3.85Å; F10-I24 HydrophobicContact CE2-CG1 4.45Å; F10-I24 HydrophobicContact CG-CD1 3.6Å; F10-I24 HydrophobicContact CG-CG1 3.76Å; F10-I24 HydrophobicContact CZ-CG1 4.26Å; G20-I24 PolarHBondContact O-N 3.47Å; Y21-I24 PolarHBondContact O-N 2.89Å; Y21-I24 VanDerWaalsContact O-N 3.07Å; I24-Q26 VanDerWaalsContact C-N 3.31Å; I24-Q26 PolarHBondContact O-N 3.12Å; I24-Y27 WeakPolarHBondContact O-CB 3.43Å; I24-Y27 PolarHBondContact O-N 3.24Å; I24-L28 HydrophobicContact CG2-CD1 4.03Å; I24-L28 HydrophobicContact CG2-CG 4.34Å; I24-L28 WeakPolarHBondContact O-CG 3.38Å; I24-L28 PolarHBondContact O-N 2.92Å; I24-F215 HydrophobicContact CG2-CB 3.77Å; I24-F215 HydrophobicContact CG2-CD2 3.66Å; I24-F215 HydrophobicContact CG2-CG 4.04Å
25I98.3Very high97Very high23 Ų2346.4 Ų46.412%0.11825%0.249CC..Hα-helixtrans-61.3-42.1179.7-65.4-53.1000111.2Y21 D22 L28 N29 E119 F215Y21-I25 HydrophobicContact CD1-CG1 4.03Å; Y21-I25 HydrophobicContact CD2-CG1 4.33Å; Y21-I25 HydrophobicContact CE1-CD1 4.38Å; Y21-I25 HydrophobicContact CE1-CG1 3.62Å; Y21-I25 HydrophobicContact CE2-CD1 3.94Å; Y21-I25 HydrophobicContact CE2-CG1 3.92Å; Y21-I25 HydrophobicContact CG-CG1 4.37Å; Y21-I25 WeakPolarHBondContact O-CG1 3.31Å; Y21-I25 PolarHBondContact O-N 2.96Å; D22-I25 PolarHBondContact O-N 3.07Å; I25-L28 HydrophobicContact CD1-CD1 4.34Å; I25-L28 PolarHBondContact O-N 3.48Å; I25-N29 WeakPolarHBondContact CG2-ND2 3.49Å; I25-N29 WeakPolarHBondContact O-CB 3.4Å; I25-N29 PolarHBondContact O-N 3.34Å; I25-N29 PolarHBondContact O-ND2 2.97Å; I25-E119 HydrophobicContact CD1-CG 3.87Å; I25-F215 HydrophobicContact CD1-CD2 4.43Å; I25-F215 HydrophobicContact CD1-CE2 3.72Å; I25-F215 HydrophobicContact CD1-CZ 3.78Å
26Q98.4Very high97.4Very high98 Ų9848 Ų4846%0.45826%0.255SS..Hα-helixtrans-58.3-49.2174.4-176.65647.400111.2D22 I24 L28 N29 D30D22-Q26 WeakPolarHBondContact O-CB 3.43Å; D22-Q26 PolarHBondContact O-N 3.34Å; I24-Q26 VanDerWaalsContact C-N 3.31Å; I24-Q26 PolarHBondContact O-N 3.12Å; Q26-L28 VanDerWaalsContact C-N 3.34Å; Q26-L28 PolarHBondContact O-N 3.39Å; Q26-N29 PolarHBondContact O-N 3.28Å; Q26-N29 VanDerWaalsContact O-N 3.15Å; Q26-D30 PolarHBondContact NE2-OD1 2.93Å; Q26-D30 PolarHBondContact NE2-OD2 3.26Å; Q26-D30 PolarHBondContact O-N 3.39Å
27Y98.6Very high97.8Very high93 Ų9350.7 Ų50.737%0.36526%0.264SS..Hα-helixtrans-58-42.1177.5173.4-111.6000113.1F6 A23 I24 D30 G31 S219F6-Y27 HydrophobicContact CZ-CD1 4.1Å; F6-Y27 HydrophobicContact CZ-CE1 4.06Å; A23-Y27 PolarHBondContact O-N 2.97Å; A23-Y27 VanDerWaalsContact O-N 3.07Å; I24-Y27 WeakPolarHBondContact O-CB 3.43Å; I24-Y27 PolarHBondContact O-N 3.24Å; Y27-D30 PolarHBondContact O-N 3.37Å; Y27-G31 PolarHBondContact O-N 3.47Å; Y27-S219 WeakPolarHBondContact CE1-OG 3.5Å
28L98.3Very high98Very high5 Ų550.5 Ų50.53%0.02626%0.261CS..Hα-helixtrans-66.7-38.3176.6-66.6171.9000112.5I24 I25 Q26 G31 K32 R115 F215 S219I24-L28 HydrophobicContact CG2-CD1 4.03Å; I24-L28 HydrophobicContact CG2-CG 4.34Å; I24-L28 WeakPolarHBondContact O-CG 3.38Å; I24-L28 PolarHBondContact O-N 2.92Å; I25-L28 HydrophobicContact CD1-CD1 4.34Å; I25-L28 PolarHBondContact O-N 3.48Å; Q26-L28 VanDerWaalsContact C-N 3.34Å; Q26-L28 PolarHBondContact O-N 3.39Å; L28-G31 PolarHBondContact O-N 2.92Å; L28-K32 PolarHBondContact O-N 2.9Å; L28-R115 HydrophobicContact CD1-CG 4.41Å; L28-F215 HydrophobicContact CD1-CB 3.82Å; L28-F215 HydrophobicContact CD1-CD1 3.6Å; L28-F215 HydrophobicContact CD1-CD2 4.2Å; L28-F215 HydrophobicContact CD1-CE1 4.22Å; L28-F215 HydrophobicContact CD1-CG 3.6Å; L28-S219 VanDerWaalsContact CD2-OG 3.23Å; L28-S219 WeakPolarHBondContact CD2-OG 3.27Å
29N98.3Very high98.2Very high61 Ų6148.6 Ų48.633%0.32625%0.249SC..Hα-helixtrans-68.3-40.6177.4-76.5-34.5000111.9I25 Q26 G31 K32 R33 R115I25-N29 WeakPolarHBondContact CG2-ND2 3.49Å; I25-N29 WeakPolarHBondContact O-CB 3.4Å; I25-N29 PolarHBondContact O-N 3.34Å; I25-N29 PolarHBondContact O-ND2 2.97Å; Q26-N29 PolarHBondContact O-N 3.28Å; Q26-N29 VanDerWaalsContact O-N 3.15Å; N29-G31 VanDerWaalsContact C-N 3.33Å; N29-K32 WeakPolarHBondContact O-CB 3.42Å; N29-K32 PolarHBondContact O-N 3.28Å; N29-R33 PolarHBondContact O-N 3.44Å; N29-R115 PolarHBondContact OD1-NH2 2.96Å
30D98.5Very high98.3Very high55 Ų5549.4 Ų49.429%0.29425%0.245SC..Hα-helixtrans-64.2-41.2172.7-68.1-28.6000110.8Q26 Y27 K32 R33 T34Q26-D30 PolarHBondContact NE2-OD1 2.93Å; Q26-D30 PolarHBondContact NE2-OD2 3.26Å; Q26-D30 PolarHBondContact O-N 3.39Å; Y27-D30 PolarHBondContact O-N 3.37Å; D30-K32 VanDerWaalsContact C-N 3.3Å; D30-K32 PolarHBondContact O-N 3.39Å; D30-R33 WeakPolarHBondContact O-CA 3.42Å; D30-R33 WeakPolarHBondContact O-CB 3.08Å; D30-R33 PolarHBondContact O-N 2.88Å; D30-R33 IonicContact OD1-CZ 3.72Å; D30-R33 IonicContact OD1-NH1 3.44Å; D30-R33 IonicContact OD1-NH2 2.7Å; D30-T34 PolarHBondContact O-N 3.48Å; D30-T34 PolarHBondContact O-OG1 2.94Å
31G98.4Very high98.4Very high3 Ų356 Ų563%0.03127%0.272CS..Hα-helixtrans-56.6-41.2172.300000113.3Y27 L28 N29 T34 C35Y27-G31 PolarHBondContact O-N 3.47Å; L28-G31 PolarHBondContact O-N 2.92Å; N29-G31 VanDerWaalsContact C-N 3.33Å; G31-T34 PolarHBondContact O-N 3.22Å; G31-C35 PolarHBondContact O-N 3.42Å; G31-C35 VanDerWaalsContact O-N 3.15Å; G31-C35 PolarHBondContact O-SG 3.16Å; G31-C35 VanDerWaalsContact O-SG 3.38Å
32K98.1Very high98.4Very high56 Ų5655.7 Ų55.724%0.24327%0.271CS..Hα-helixtrans-65-39.7174.1-177.1-169.9173-169.40111.8L28 N29 D30 C35 K36 K108L28-K32 PolarHBondContact O-N 2.9Å; N29-K32 WeakPolarHBondContact O-CB 3.42Å; N29-K32 PolarHBondContact O-N 3.28Å; D30-K32 VanDerWaalsContact C-N 3.3Å; D30-K32 PolarHBondContact O-N 3.39Å; K32-C35 WeakPolarHBondContact O-CB 3.5Å; K32-C35 PolarHBondContact O-N 2.94Å; K32-K36 PolarHBondContact O-N 3.38Å; K32-K108 HydrophobicContact CG-CD 4.29Å; K32-K108 HydrophobicContact CG-CG 3.87Å
33R98.5Very high98.5Very high149 Ų14955.2 Ų55.256%0.56227%0.265SS*.Hα-helixtrans-61.6-45.6176.4-170.4-175.3-60.4158.58.1110.8N29 D30 C35 K36 E37N29-R33 PolarHBondContact O-N 3.44Å; D30-R33 WeakPolarHBondContact O-CA 3.42Å; D30-R33 WeakPolarHBondContact O-CB 3.08Å; D30-R33 PolarHBondContact O-N 2.88Å; D30-R33 IonicContact OD1-CZ 3.72Å; D30-R33 IonicContact OD1-NH1 3.44Å; D30-R33 IonicContact OD1-NH2 2.7Å; R33-C35 VanDerWaalsContact C-N 3.31Å; R33-C35 PolarHBondContact O-N 3.22Å; R33-K36 WeakPolarHBondContact O-CA 3.37Å; R33-K36 WeakPolarHBondContact O-CB 3.49Å; R33-K36 PolarHBondContact O-N 3.35Å; R33-E37 PolarHBondContact O-N 3.19Å
34T98.4Very high98.5Very high54 Ų5455.4 Ų55.433%0.33127%0.266SS..Hα-helixtrans-58.2-41.4174.3-550000112.3D30 G31 K36 E37 V38 L226D30-T34 PolarHBondContact O-N 3.48Å; D30-T34 PolarHBondContact O-OG1 2.94Å; G31-T34 PolarHBondContact O-N 3.22Å; T34-K36 PolarHBondContact O-N 3Å; T34-E37 PolarHBondContact O-N 3.19Å; T34-V38 WeakPolarHBondContact O-CG2 3.42Å; T34-V38 PolarHBondContact O-N 3.23Å; T34-L226 HydrophobicContact CG2-CD1 4.4Å
35C98.4Very high98.5Very high0 Ų058.4 Ų58.40%028%0.278CS..Hα-helixtrans-58.6-38.7174.5-66.30000112.2G31 K32 R33 E39 L104 K108G31-C35 PolarHBondContact O-N 3.42Å; G31-C35 VanDerWaalsContact O-N 3.15Å; G31-C35 PolarHBondContact O-SG 3.16Å; G31-C35 VanDerWaalsContact O-SG 3.38Å; K32-C35 WeakPolarHBondContact O-CB 3.5Å; K32-C35 PolarHBondContact O-N 2.94Å; R33-C35 VanDerWaalsContact C-N 3.31Å; R33-C35 PolarHBondContact O-N 3.22Å; C35-E39 VanDerWaalsContact O-CB 3.31Å; C35-E39 WeakPolarHBondContact O-CB 3.4Å; C35-E39 PolarHBondContact O-N 2.95Å; C35-L104 HydrophobicContact CB-CD1 4.2Å; C35-K108 HydrophobicContact CB-CD 4.32Å; C35-K108 HydrophobicContact CB-CG 4.27Å
36K98.5Very high98.5Very high74 Ų7457.3 Ų57.332%0.32227%0.272SS..Hα-helixtrans-68.7-40.8177.2179.552.9175.6154.40112.1K32 R33 T34 V38 E39 D40K32-K36 PolarHBondContact O-N 3.38Å; R33-K36 WeakPolarHBondContact O-CA 3.37Å; R33-K36 WeakPolarHBondContact O-CB 3.49Å; R33-K36 PolarHBondContact O-N 3.35Å; T34-K36 PolarHBondContact O-N 3Å; K36-V38 PolarHBondContact O-N 3.27Å; K36-E39 WeakPolarHBondContact CD-OE2 3.38Å; K36-E39 IonicContact NZ-OE1 2.64Å; K36-E39 PolarHBondContact NZ-OE1 3.47Å; K36-E39 WeakPolarHBondContact O-CB 3.46Å; K36-E39 PolarHBondContact O-N 3.03Å; K36-D40 WeakPolarHBondContact CE-OD2 3.38Å; K36-D40 VanDerWaalsContact NZ-CG 3.28Å; K36-D40 IonicContact NZ-OD1 2.7Å; K36-D40 PolarHBondContact NZ-OD1 3.44Å; K36-D40 IonicContact NZ-OD2 2.82Å; K36-D40 PolarHBondContact NZ-OD2 2.9Å; K36-D40 PolarHBondContact O-N 3.36Å
37E98.7Very high98.5Very high110 Ų11055 Ų5551%0.51427%0.267SS..Hα-helixtrans-60.7-44.5175.6-68.5163.4-176.100111.5R33 T34 D40 F41R33-E37 PolarHBondContact O-N 3.19Å; T34-E37 PolarHBondContact O-N 3.19Å; E37-D40 PolarHBondContact O-N 3Å; E37-F41 WeakPolarHBondContact O-CB 3.32Å; E37-F41 PolarHBondContact O-N 3.03Å
38V98.6Very high98.5Very high33 Ų3354.7 Ų54.720%0.227%0.271CS..Hα-helixtrans-65.4-42.6176.31750000111.5T34 K36 D40 F41 M42 L104 L226T34-V38 WeakPolarHBondContact O-CG2 3.42Å; T34-V38 PolarHBondContact O-N 3.23Å; K36-V38 PolarHBondContact O-N 3.27Å; V38-D40 PolarHBondContact O-N 2.83Å; V38-F41 PolarHBondContact O-N 2.93Å; V38-M42 HydrophobicContact CG1-CG 4.44Å; V38-M42 HydrophobicContact CG1-SD 4.01Å; V38-M42 WeakPolarHBondContact O-CG 3.48Å; V38-M42 PolarHBondContact O-N 3.01Å; V38-L104 HydrophobicContact CB-CD2 4.26Å; V38-L104 HydrophobicContact CG1-CD2 3.96Å; V38-L226 HydrophobicContact CB-CD2 4.32Å; V38-L226 HydrophobicContact CG1-CD2 4.3Å; V38-L226 HydrophobicContact CG2-CD2 4.36Å
39E98.4Very high98.6Very high3 Ų355 Ų551%0.01427%0.272CS..Hα-helixtrans-55.9-50.3174.3177.9-155.2129.100111.4C35 K36 F41 M42 K43 V101 L104 E105 K108C35-E39 VanDerWaalsContact O-CB 3.31Å; C35-E39 WeakPolarHBondContact O-CB 3.4Å; C35-E39 PolarHBondContact O-N 2.95Å; K36-E39 WeakPolarHBondContact CD-OE2 3.38Å; K36-E39 IonicContact NZ-OE1 2.64Å; K36-E39 PolarHBondContact NZ-OE1 3.47Å; K36-E39 WeakPolarHBondContact O-CB 3.46Å; K36-E39 PolarHBondContact O-N 3.03Å; E39-F41 VanDerWaalsContact C-N 3.35Å; E39-F41 PolarHBondContact O-N 2.98Å; E39-M42 PolarHBondContact O-N 2.9Å; E39-K43 HydrophobicContact CG-CD 4.35Å; E39-K43 WeakPolarHBondContact O-CG 3.47Å; E39-K43 PolarHBondContact O-N 2.91Å; E39-K43 IonicContact OE1-NZ 3.92Å; E39-K43 PolarHBondContact OE1-NZ 3.35Å; E39-V101 HydrophobicContact CG-CG1 3.97Å; E39-L104 HydrophobicContact CB-CD2 3.98Å; E39-E105 HydrophobicContact CG-CG 3.88Å; E39-K108 IonicContact OE2-NZ 2.84Å; E39-K108 PolarHBondContact OE2-NZ 2.94Å
40D98.7Very high98.6Very high72 Ų7254.5 Ų54.539%0.38527%0.268SS..Hα-helixtrans-65.1-39.5-179.2-73.5-29.4000112.1K36 E37 V38 K43 A44K36-D40 WeakPolarHBondContact CE-OD2 3.38Å; K36-D40 VanDerWaalsContact NZ-CG 3.28Å; K36-D40 IonicContact NZ-OD1 2.7Å; K36-D40 PolarHBondContact NZ-OD1 3.44Å; K36-D40 IonicContact NZ-OD2 2.82Å; K36-D40 PolarHBondContact NZ-OD2 2.9Å; K36-D40 PolarHBondContact O-N 3.36Å; E37-D40 PolarHBondContact O-N 3Å; V38-D40 PolarHBondContact O-N 2.83Å; D40-K43 PolarHBondContact O-N 3.24Å; D40-A44 PolarHBondContact O-N 2.92Å
41F98.7Very high98.6Very high149 Ų14958.7 Ų58.765%0.65428%0.279SS*.Hα-helixtrans-60.2-48.9174.4-175.7-87.6000111.8E37 V38 E39 K43 A44 R45E37-F41 WeakPolarHBondContact O-CB 3.32Å; E37-F41 PolarHBondContact O-N 3.03Å; V38-F41 PolarHBondContact O-N 2.93Å; E39-F41 VanDerWaalsContact C-N 3.35Å; E39-F41 PolarHBondContact O-N 2.98Å; F41-K43 VanDerWaalsContact C-N 3.35Å; F41-K43 PolarHBondContact O-N 3.43Å; F41-A44 PolarHBondContact O-N 2.93Å; F41-R45 PolarHBondContact O-N 3.4Å
42M98.5Very high98.6Very high4 Ų463.3 Ų63.32%0.0230%0.297CS..Hα-helixtrans-66.4-35.4179.9-71.2-179.97000112.2V38 E39 R45 A46 E100 V101 T229 H233V38-M42 HydrophobicContact CG1-CG 4.44Å; V38-M42 HydrophobicContact CG1-SD 4.01Å; V38-M42 WeakPolarHBondContact O-CG 3.48Å; V38-M42 PolarHBondContact O-N 3.01Å; E39-M42 PolarHBondContact O-N 2.9Å; M42-R45 PolarHBondContact O-N 3.45Å; M42-A46 WeakPolarHBondContact O-CB 3.45Å; M42-A46 PolarHBondContact O-N 3.06Å; M42-E100 HydrophobicContact CE-CB 4.13Å; M42-V101 HydrophobicContact CB-CG2 3.48Å; M42-V101 VanDerWaalsContact CB-CG2 3.48Å; M42-V101 HydrophobicContact CE-CG2 4.49Å; M42-T229 HydrophobicContact CE-CG2 4.03Å; M42-T229 HydrophobicContact SD-CG2 3.87Å; M42-H233 HydrophobicContact CE-CB 3.91Å
43K98.7Very high98.6Very high67 Ų6760.8 Ų60.829%0.29129%0.286SS..Hα-helixtrans-61.9-44.4171.9-77.5175.2174.1172.80112.6E39 D40 F41 R45 A46 S47 V101 E105E39-K43 HydrophobicContact CG-CD 4.35Å; E39-K43 WeakPolarHBondContact O-CG 3.47Å; E39-K43 PolarHBondContact O-N 2.91Å; E39-K43 IonicContact OE1-NZ 3.92Å; E39-K43 PolarHBondContact OE1-NZ 3.35Å; D40-K43 PolarHBondContact O-N 3.24Å; F41-K43 VanDerWaalsContact C-N 3.35Å; F41-K43 PolarHBondContact O-N 3.43Å; K43-R45 VanDerWaalsContact C-N 3.35Å; K43-A46 PolarHBondContact O-N 3.49Å; K43-S47 WeakPolarHBondContact O-CB 3.41Å; K43-S47 PolarHBondContact O-N 3.11Å; K43-S47 PolarHBondContact O-OG 3.37Å; K43-V101 HydrophobicContact CD-CG1 4.06Å; K43-V101 HydrophobicContact CG-CB 4.46Å; K43-V101 HydrophobicContact CG-CG1 3.56Å; K43-V101 HydrophobicContact CG-CG2 4.15Å; K43-E105 VanDerWaalsContact CE-OE1 3.24Å; K43-E105 WeakPolarHBondContact CE-OE1 3.36Å; K43-E105 IonicContact NZ-OE1 3.71Å; K43-E105 PolarHBondContact NZ-OE1 2.84Å
44A98.8Very high98.7Very high52 Ų5258.7 Ų58.743%0.4328%0.281SS..Hα-helixtrans-62.4-45175.300000110.6D40 F41 A46 S47 I48D40-A44 PolarHBondContact O-N 2.92Å; F41-A44 PolarHBondContact O-N 2.93Å; A44-A46 PolarHBondContact O-N 3.13Å; A44-S47 PolarHBondContact O-N 3.32Å; A44-I48 WeakPolarHBondContact O-CG1 3.45Å; A44-I48 PolarHBondContact O-N 2.89Å
45R98.7Very high98.7Very high65 Ų6561 Ų6125%0.24529%0.291CS..Hα-helixtrans-58.6-45.9176.8-179.166.8-168.585.4-2.1112.5F41 M42 K43 S47 I48 E49 M97F41-R45 PolarHBondContact O-N 3.4Å; M42-R45 PolarHBondContact O-N 3.45Å; K43-R45 VanDerWaalsContact C-N 3.35Å; R45-S47 VanDerWaalsContact C-N 3.32Å; R45-S47 PolarHBondContact O-N 2.92Å; R45-I48 PolarHBondContact O-N 3.48Å; R45-E49 IonicContact CZ-OE2 2.61Å; R45-E49 IonicContact NH1-OE2 3.39Å; R45-E49 PolarHBondContact NH1-OE2 3.47Å; R45-E49 IonicContact NH2-OE1 3.5Å; R45-E49 IonicContact NH2-OE2 2.63Å; R45-E49 PolarHBondContact NH2-OE2 3.39Å; R45-E49 PolarHBondContact O-N 3.34Å; R45-E49 VanDerWaalsContact O-N 3.09Å; R45-M97 HydrophobicContact CG-CE 4.43Å; R45-M97 HydrophobicContact CG-SD 4.19Å
46A98.7Very high98.7Very high0 Ų062.2 Ų62.20%030%0.297CS..Hα-helixtrans-64.3-35.7177.200000112.6M42 K43 A44 E49 E50 M97 R98M42-A46 WeakPolarHBondContact O-CB 3.45Å; M42-A46 PolarHBondContact O-N 3.06Å; K43-A46 PolarHBondContact O-N 3.49Å; A44-A46 PolarHBondContact O-N 3.13Å; A46-E49 PolarHBondContact O-N 2.96Å; A46-E50 PolarHBondContact O-N 2.94Å; A46-M97 HydrophobicContact CB-CB 3.78Å; A46-M97 HydrophobicContact CB-SD 4.2Å; A46-R98 HydrophobicContact CB-CG 4.09Å; A46-R98 PolarHBondContact O-NH2 2.96Å
47S98.8Very high98.7Very high51 Ų5160.5 Ų60.536%0.35729%0.292SS..Hα-helixtrans-71.1-35.9178.6-56.30000112.3K43 A44 R45 R51K43-S47 WeakPolarHBondContact O-CB 3.41Å; K43-S47 PolarHBondContact O-N 3.11Å; K43-S47 PolarHBondContact O-OG 3.37Å; A44-S47 PolarHBondContact O-N 3.32Å; R45-S47 VanDerWaalsContact C-N 3.32Å; R45-S47 PolarHBondContact O-N 2.92Å; S47-R51 PolarHBondContact O-N 3.32Å; S47-R51 VanDerWaalsContact O-N 3.16Å
48I98.8Very high98.7Very high86 Ų8658.7 Ų58.744%0.44129%0.291SS..Hα-helixtrans-63.2-46.2171.8-68.2164.5000109.9A44 R45 E50 R51 Y52A44-I48 WeakPolarHBondContact O-CG1 3.45Å; A44-I48 PolarHBondContact O-N 2.89Å; R45-I48 PolarHBondContact O-N 3.48Å; I48-E50 PolarHBondContact O-N 3.39Å; I48-R51 PolarHBondContact O-N 3.48Å; I48-Y52 PolarHBondContact O-N 3.44Å
49E98.7Very high98.7Very high12 Ų1261.4 Ų61.46%0.05630%0.304CS..Hα-helixtrans-60.8-44.8179.7-160.271.4174.600112.2R45 A46 R51 Y52 A53 H90 L93 A94R45-E49 IonicContact CZ-OE2 2.61Å; R45-E49 IonicContact NH1-OE2 3.39Å; R45-E49 PolarHBondContact NH1-OE2 3.47Å; R45-E49 IonicContact NH2-OE1 3.5Å; R45-E49 IonicContact NH2-OE2 2.63Å; R45-E49 PolarHBondContact NH2-OE2 3.39Å; R45-E49 PolarHBondContact O-N 3.34Å; R45-E49 VanDerWaalsContact O-N 3.09Å; A46-E49 PolarHBondContact O-N 2.96Å; E49-R51 VanDerWaalsContact C-N 3.34Å; E49-R51 PolarHBondContact O-N 2.98Å; E49-Y52 PolarHBondContact O-N 2.99Å; E49-A53 WeakPolarHBondContact O-CB 3.4Å; E49-A53 PolarHBondContact O-N 3.01Å; E49-H90 IonicContact OE1-CE1 3.92Å; E49-H90 PolarHBondContact OE1-CE1 2.9Å; E49-H90 IonicContact OE1-CG 2.67Å; E49-H90 IonicContact OE1-ND1 3.79Å; E49-H90 PolarHBondContact OE1-ND1 2.94Å; E49-L93 HydrophobicContact CG-CD2 4.1Å; E49-L93 HydrophobicContact CG-CG 4.36Å; E49-L93 WeakPolarHBondContact OE1-CD2 3.42Å; E49-A94 HydrophobicContact CB-CB 3.95Å; E49-A94 HydrophobicContact CG-CB 4.17Å
50E98.8Very high98.6Very high50 Ų5061.5 Ų61.523%0.23431%0.305CS..Hα-helixtrans-62.4-40.1177.2178.1-176.1-162.700112.4A46 I48 A53 K54 L91 A94 R98A46-E50 PolarHBondContact O-N 2.94Å; I48-E50 PolarHBondContact O-N 3.39Å; E50-A53 PolarHBondContact O-N 3.41Å; E50-K54 VanDerWaalsContact CD-NZ 3.35Å; E50-K54 HydrophobicContact CG-CD 4.17Å; E50-K54 WeakPolarHBondContact O-CG 3.4Å; E50-K54 PolarHBondContact O-N 2.9Å; E50-K54 VanDerWaalsContact OE1-CE 3.22Å; E50-K54 WeakPolarHBondContact OE1-CE 3.49Å; E50-K54 IonicContact OE1-NZ 2.88Å; E50-K54 PolarHBondContact OE1-NZ 3.45Å; E50-L91 HydrophobicContact CG-CD1 3.96Å; E50-A94 HydrophobicContact CB-CB 3.96Å; E50-R98 VanDerWaalsContact CB-NH2 3.3Å; E50-R98 IonicContact OE2-CZ 3.94Å; E50-R98 IonicContact OE2-NH1 2.68Å; E50-R98 PolarHBondContact OE2-NH1 2.93Å; E50-R98 IonicContact OE2-NH2 3.82Å; E50-R98 PolarHBondContact OE2-NH2 3.45Å
51R98.8Very high98.6Very high142 Ų14265 Ų6554%0.53632%0.317SS..Hα-helixtrans-63.8-47177.2-178173.560-118.5-1.9110.7S47 I48 E49 A53 K54 D55S47-R51 PolarHBondContact O-N 3.32Å; S47-R51 VanDerWaalsContact O-N 3.16Å; I48-R51 PolarHBondContact O-N 3.48Å; E49-R51 VanDerWaalsContact C-N 3.34Å; E49-R51 PolarHBondContact O-N 2.98Å; R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 3.03Å; R51-K54 PolarHBondContact O-N 3.42Å; R51-K54 VanDerWaalsContact O-N 3.17Å; R51-D55 PolarHBondContact O-N 3Å
52Y98.8Very high98.5Very high101 Ų10164.2 Ų64.240%0.39631%0.313SS..Hα-helixtrans-55.7-47.4175.9176.5-113.2000111.9I48 E49 K54 D55 L56 H90I48-Y52 PolarHBondContact O-N 3.44Å; E49-Y52 PolarHBondContact O-N 2.99Å; Y52-K54 PolarHBondContact O-N 3.45Å; Y52-D55 PolarHBondContact O-N 3.44Å; Y52-L56 HydrophobicContact CD1-CD1 4.14Å; Y52-L56 HydrophobicContact CE1-CD1 3.51Å; Y52-L56 HydrophobicContact CE1-CG 4.37Å; Y52-L56 HydrophobicContact CE2-CD1 4.06Å; Y52-L56 HydrophobicContact CE2-CD2 4.46Å; Y52-L56 HydrophobicContact CE2-CG 4.1Å; Y52-L56 VanDerWaalsContact CZ-CD1 3.47Å; Y52-L56 PolarHBondContact O-N 3.44Å; Y52-H90 HydrophobicContact CD1-CB 4.41Å; Y52-H90 AromaticContact CD1-CG 3.97Å; Y52-H90 AromaticContact CE1-CD2 3.72Å; Y52-H90 AromaticContact CE1-CE1 3.85Å; Y52-H90 AromaticContact CE1-CG 3.98Å; Y52-H90 AromaticContact CE1-NE2 3.67Å
53A98.8Very high98.3Very high2 Ų269.5 Ų69.52%0.01735%0.346CS..Hα-helixtrans-57.7-45.8175.800000112.6E49 E50 R51 L56 L57 S87 H90 L91E49-A53 WeakPolarHBondContact O-CB 3.4Å; E49-A53 PolarHBondContact O-N 3.01Å; E50-A53 PolarHBondContact O-N 3.41Å; R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 3.03Å; A53-L56 PolarHBondContact O-N 3.29Å; A53-L57 WeakPolarHBondContact O-CB 3.43Å; A53-L57 PolarHBondContact O-N 3.13Å; A53-S87 WeakPolarHBondContact CB-O 3.2Å; A53-S87 WeakPolarHBondContact O-CB 3.46Å; A53-H90 HydrophobicContact CB-CB 3.81Å; A53-L91 HydrophobicContact CB-CB 3.91Å; A53-L91 HydrophobicContact CB-CD1 4.43Å
54K98.8Very high98.2Very high106 Ų10668.7 Ų68.746%0.46135%0.348SS..Hα-helixtrans-66.3-38.3179.4-74.1176-177.41720112.8E50 R51 Y52 L57 S58E50-K54 VanDerWaalsContact CD-NZ 3.35Å; E50-K54 HydrophobicContact CG-CD 4.17Å; E50-K54 WeakPolarHBondContact O-CG 3.4Å; E50-K54 PolarHBondContact O-N 2.9Å; E50-K54 VanDerWaalsContact OE1-CE 3.22Å; E50-K54 WeakPolarHBondContact OE1-CE 3.49Å; E50-K54 IonicContact OE1-NZ 2.88Å; E50-K54 PolarHBondContact OE1-NZ 3.45Å; R51-K54 PolarHBondContact O-N 3.42Å; R51-K54 VanDerWaalsContact O-N 3.17Å; Y52-K54 PolarHBondContact O-N 3.45Å; K54-L57 PolarHBondContact O-N 3.04Å; K54-S58 PolarHBondContact O-N 2.77Å
55D98.8Very high97.9Very high102 Ų10267.1 Ų67.155%0.54534%0.337SS..Hα-helixtrans-65.9-41.7177.2-69-21.8000110.8R51 Y52 S58 L59R51-D55 PolarHBondContact O-N 3Å; Y52-D55 PolarHBondContact O-N 3.44Å; D55-S58 WeakPolarHBondContact O-CB 3.4Å; D55-S58 PolarHBondContact O-N 3.37Å; D55-L59 WeakPolarHBondContact O-CB 3.4Å; D55-L59 PolarHBondContact O-N 2.98Å
56L98.6Very high97.7Very high25 Ų2570.9 Ų70.913%0.13136%0.357CS..Hα-helixtrans-62.8-41.4172.1-76.9-177.4000112.6Y52 A53 S58 L59 S60 T83 V86Y52-L56 HydrophobicContact CD1-CD1 4.14Å; Y52-L56 HydrophobicContact CE1-CD1 3.51Å; Y52-L56 HydrophobicContact CE1-CG 4.37Å; Y52-L56 HydrophobicContact CE2-CD1 4.06Å; Y52-L56 HydrophobicContact CE2-CD2 4.46Å; Y52-L56 HydrophobicContact CE2-CG 4.1Å; Y52-L56 VanDerWaalsContact CZ-CD1 3.47Å; Y52-L56 PolarHBondContact O-N 3.44Å; A53-L56 PolarHBondContact O-N 3.29Å; L56-S58 VanDerWaalsContact C-N 3.28Å; L56-S58 PolarHBondContact O-N 3.45Å; L56-L59 HydrophobicContact CD2-CD2 4.38Å; L56-L59 WeakPolarHBondContact O-CB 3.39Å; L56-L59 PolarHBondContact O-N 3.08Å; L56-L59 VanDerWaalsContact O-N 3.15Å; L56-S60 PolarHBondContact O-N 3.43Å; L56-T83 HydrophobicContact CD2-CG2 4.39Å; L56-V86 HydrophobicContact CD1-CG1 3.89Å
57L98.6Very high97.5Very high38 Ų3877.4 Ų77.420%0.19939%0.392CS..Hα-helixtrans-63.9-35.6176.7-172.458.5000112.2A53 K54 S60 K61 E84 S87A53-L57 WeakPolarHBondContact O-CB 3.43Å; A53-L57 PolarHBondContact O-N 3.13Å; K54-L57 PolarHBondContact O-N 3.04Å; L57-S60 PolarHBondContact O-OG 3.42Å; L57-K61 WeakPolarHBondContact O-CG 3.47Å; L57-E84 HydrophobicContact CD1-CG 3.88Å; L57-S87 WeakPolarHBondContact CB-OG 3.4Å
58S98.5Very high97.3Very high72 Ų7279.2 Ų79.250%0.50339%0.394SS..Hα-helixtrans-68.1-41.2173.5-175.50000110.9K54 D55 L56 K61K54-S58 PolarHBondContact O-N 2.77Å; D55-S58 WeakPolarHBondContact O-CB 3.4Å; D55-S58 PolarHBondContact O-N 3.37Å; L56-S58 VanDerWaalsContact C-N 3.28Å; L56-S58 PolarHBondContact O-N 3.45Å; S58-K61 PolarHBondContact O-N 2.91Å
59L98.4Very high97.1Very high90 Ų9077.7 Ų77.747%0.47139%0.386SS..Hα-helixtrans-62.9-44.5177.2178.361.5000112.2D55 L56 K61 K62D55-L59 WeakPolarHBondContact O-CB 3.4Å; D55-L59 PolarHBondContact O-N 2.98Å; L56-L59 HydrophobicContact CD2-CD2 4.38Å; L56-L59 WeakPolarHBondContact O-CB 3.39Å; L56-L59 PolarHBondContact O-N 3.08Å; L56-L59 VanDerWaalsContact O-N 3.15Å; L59-K61 PolarHBondContact O-N 2.96Å; L59-K61 VanDerWaalsContact O-N 3.11Å; L59-K62 HydrophobicContact CD1-CD 4.2Å; L59-K62 WeakPolarHBondContact O-CB 3.45Å; L59-K62 PolarHBondContact O-N 3.3Å
60S97.7Very high97Very high6 Ų678.7 Ų78.74%0.04239%0.392CS..Hα-helixtrans-60.6-24.7-178.6730000113L56 L57 K80L56-S60 PolarHBondContact O-N 3.43Å; L57-S60 PolarHBondContact O-OG 3.42Å; S60-K80 WeakPolarHBondContact O-CE 3.3Å; S60-K80 PolarHBondContact O-NZ 3Å
61K97.1Very high96.9Very high144 Ų14476.4 Ų76.463%0.62638%0.381SS*.THydrogen-bonded Turntrans-80.7-16.7177.3-65.9172.2-174.9178.20113.5L57 S58 L59L57-K61 WeakPolarHBondContact O-CG 3.47Å; S58-K61 PolarHBondContact O-N 2.91Å; L59-K61 PolarHBondContact O-N 2.96Å; L59-K61 VanDerWaalsContact O-N 3.11Å
62K97.2Very high96.9Very high134 Ų13472.6 Ų72.658%0.58337%0.371SS*.SBendtrans-66.8152.1178.4-66.2-171.8179.2177.30111.1L59 C64 K80L59-K62 HydrophobicContact CD1-CD 4.2Å; L59-K62 WeakPolarHBondContact O-CB 3.45Å; L59-K62 PolarHBondContact O-N 3.3Å; K62-C64 PolarHBondContact O-N 2.87Å; K62-K80 WeakPolarHBondContact O-CE 3.36Å; K62-K80 PolarHBondContact O-NZ 2.88Å
63V95.3Very high96.8Very high115 Ų11570.2 Ų70.270%0.69736%0.363SS*.  trans-69.5129.3176.4177.80000109.2H66V63-H66 HydrophobicContact CG1-CB 3.6Å
64C94.8Very high96.8Very high49 Ų4976 Ų7633%0.33139%0.385SS..  trans-139.4122.3172.8-173.80000107K62 K80K62-C64 PolarHBondContact O-N 2.87Å; C64-K80 HydrophobicContact CB-CD 3.94Å; C64-K80 HydrophobicContact CB-CG 4.12Å
65G93.2Very high96.8Very high19 Ų1971.1 Ų71.120%0.19636%0.363CS..SBendtrans74.334.7-179.500000115.8N67 E68 K73G65-N67 VanDerWaalsContact C-N 3.27Å; G65-N67 PolarHBondContact O-N 2.84Å; G65-E68 PolarHBondContact O-N 2.99Å; G65-K73 WeakPolarHBondContact O-CD 3.36Å; G65-K73 VanDerWaalsContact O-CE 3.25Å; G65-K73 WeakPolarHBondContact O-CE 3.32Å
66H94.2Very high96.7Very high145 Ų14567.9 Ų67.967%0.67135%0.346SS*.THydrogen-bonded Turntrans-55.2-41-178-175.157.9000114V63V63-H66 HydrophobicContact CG1-CB 3.6Å
67N94.4Very high96.7Very high137 Ų13770 Ų7073%0.73336%0.357SS*.THydrogen-bonded Turntrans-94.8-6.2-175.6-62.8-34000112.8G65G65-N67 VanDerWaalsContact C-N 3.27Å; G65-N67 PolarHBondContact O-N 2.84Å
68E95.9Very high96.7Very high89 Ų8970 Ų7042%0.41636%0.359SS..  trans-70.8152.9177.2-61.7-53145.900110.1G65 L72 K73 L76G65-E68 PolarHBondContact O-N 2.99Å; E68-L72 HydrophobicContact CG-CD2 4.29Å; E68-L72 WeakPolarHBondContact OE2-CD2 3.47Å; E68-K73 HydrophobicContact CB-CB 4.24Å; E68-K73 HydrophobicContact CB-CD 4.23Å; E68-K73 WeakPolarHBondContact O-CD 3.21Å; E68-L76 HydrophobicContact CB-CD1 4.18Å; E68-L76 HydrophobicContact CG-CD1 3.74Å
69M93.1Very high96.7Very high53 Ų5371.3 Ų71.326%0.26136%0.356SS..  trans-126.7165.9-174.5-51.4-160.868.900111.1T71 K73 F267 L270M69-T71 PolarHBondContact O-N 2.98Å; M69-K73 VanDerWaalsContact C-CB 3.49Å; M69-K73 WeakPolarHBondContact O-CB 3.16Å; M69-K73 PolarHBondContact O-N 3.29Å; M69-K73 VanDerWaalsContact O-N 3.15Å; M69-F267 HydrophobicContact SD-CD2 4.47Å; M69-L270 HydrophobicContact CE-CD2 3.16Å; M69-L270 HydrophobicContact SD-CD2 4Å
70N96.4Very high96.7Very high33 Ų3369.5 Ų69.518%0.17634%0.344CS..Hα-helixtrans44.1-119.7171.2-164.411.4000116.1R74 E262 D263 H266N70-R74 WeakPolarHBondContact O-CG 3.37Å; N70-R74 PolarHBondContact O-N 3Å; N70-R74 VanDerWaalsContact O-N 3.16Å; N70-R74 PolarHBondContact O-NE 3.3Å; N70-R74 PolarHBondContact OD1-NH2 2.95Å; N70-E262 WeakPolarHBondContact ND2-CG 3.47Å; N70-E262 PolarHBondContact ND2-OE1 3.44Å; N70-D263 VanDerWaalsContact CB-OD1 3.27Å; N70-D263 WeakPolarHBondContact CB-OD1 3.43Å; N70-H266 HydrophobicContact CB-CB 4.17Å
71T98Very high96.7Very high3 Ų373 Ų732%0.01836%0.362CS..Hα-helixtrans-71.5-43.8-168.367.60000111.8M69 K73 R74 S75 D259 E262 D263M69-T71 PolarHBondContact O-N 2.98Å; T71-K73 VanDerWaalsContact C-N 3.33Å; T71-K73 PolarHBondContact O-N 3.42Å; T71-R74 WeakPolarHBondContact O-CB 3.21Å; T71-R74 PolarHBondContact O-N 3.11Å; T71-S75 PolarHBondContact O-N 2.84Å; T71-S75 VanDerWaalsContact O-N 3.15Å; T71-S75 PolarHBondContact O-OG 3.16Å; T71-D259 HydrophobicContact CG2-CB 4.32Å; T71-D259 PolarHBondContact OG1-N 3.18Å; T71-D259 PolarHBondContact OG1-O 3.49Å; T71-E262 WeakPolarHBondContact CG2-OE2 3.34Å; T71-D263 VanDerWaalsContact CB-OD1 3.32Å; T71-D263 WeakPolarHBondContact CB-OD1 3.2Å; T71-D263 WeakPolarHBondContact CG2-OD1 3.48Å; T71-D263 PolarHBondContact N-OD1 2.84Å; T71-D263 PolarHBondContact OG1-OD1 3.48Å; T71-D263 PolarHBondContact OG1-OD2 3.49Å; T71-D263 VanDerWaalsContact OG1-OD2 3.06Å
72L97.9Very high96.8Very high61 Ų6166.6 Ų66.632%0.31933%0.334SS..Hα-helixtrans-63.3-40.1175.9179.458000111.6E68 R74 S75 L76 D263E68-L72 HydrophobicContact CG-CD2 4.29Å; E68-L72 WeakPolarHBondContact OE2-CD2 3.47Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 3.23Å; L72-S75 PolarHBondContact O-N 2.7Å; L72-L76 HydrophobicContact CD1-CG 4.32Å; L72-L76 HydrophobicContact CG-CD1 4.32Å; L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 2.76Å; L72-D263 VanDerWaalsContact CB-OD2 3.27Å; L72-D263 WeakPolarHBondContact CB-OD2 3.47Å; L72-D263 PolarHBondContact N-OD2 2.91Å
73K97.7Very high96.8Very high52 Ų5261.3 Ų61.323%0.22631%0.313CS..Hα-helixtrans-59.4-44.6176.1-178.259.1174.673.50112.1G65 E68 M69 T71 S75 L76 D77G65-K73 WeakPolarHBondContact O-CD 3.36Å; G65-K73 VanDerWaalsContact O-CE 3.25Å; G65-K73 WeakPolarHBondContact O-CE 3.32Å; E68-K73 HydrophobicContact CB-CB 4.24Å; E68-K73 HydrophobicContact CB-CD 4.23Å; E68-K73 WeakPolarHBondContact O-CD 3.21Å; M69-K73 VanDerWaalsContact C-CB 3.49Å; M69-K73 WeakPolarHBondContact O-CB 3.16Å; M69-K73 PolarHBondContact O-N 3.29Å; M69-K73 VanDerWaalsContact O-N 3.15Å; T71-K73 VanDerWaalsContact C-N 3.33Å; T71-K73 PolarHBondContact O-N 3.42Å; K73-S75 VanDerWaalsContact C-N 3.33Å; K73-S75 PolarHBondContact O-N 3.45Å; K73-L76 PolarHBondContact O-N 3.46Å; K73-D77 IonicContact NZ-OD1 3.86Å; K73-D77 PolarHBondContact NZ-OD1 3.32Å; K73-D77 IonicContact NZ-OD2 2.68Å; K73-D77 PolarHBondContact NZ-OD2 2.7Å; K73-D77 PolarHBondContact O-N 2.84Å
74R97.8Very high97Very high124 Ų12459.1 Ų59.147%0.46830%0.295SS..Hα-helixtrans-58.2-45.6176.7-76.8-177.5-83.3158-13.2111.1N70 T71 L72 L76 D77 V78 E262N70-R74 WeakPolarHBondContact O-CG 3.37Å; N70-R74 PolarHBondContact O-N 3Å; N70-R74 VanDerWaalsContact O-N 3.16Å; N70-R74 PolarHBondContact O-NE 3.3Å; N70-R74 PolarHBondContact OD1-NH2 2.95Å; T71-R74 WeakPolarHBondContact O-CB 3.21Å; T71-R74 PolarHBondContact O-N 3.11Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 3.23Å; R74-L76 PolarHBondContact O-N 3.45Å; R74-D77 WeakPolarHBondContact O-CB 3.37Å; R74-D77 PolarHBondContact O-N 3.48Å; R74-V78 PolarHBondContact O-N 3.49Å; R74-E262 IonicContact NH2-OE1 2.62Å
75S98.3Very high97.2Very high2 Ų260.2 Ų60.21%0.01430%0.295CS..Hα-helixtrans-67.1-35.8179.4-63.90000113.8T71 L72 K73 D77 V78 F79 S254 C258T71-S75 PolarHBondContact O-N 2.84Å; T71-S75 VanDerWaalsContact O-N 3.15Å; T71-S75 PolarHBondContact O-OG 3.16Å; L72-S75 PolarHBondContact O-N 2.7Å; K73-S75 VanDerWaalsContact C-N 3.33Å; K73-S75 PolarHBondContact O-N 3.45Å; S75-D77 VanDerWaalsContact C-N 3.33Å; S75-V78 PolarHBondContact O-N 3.38Å; S75-F79 PolarHBondContact O-N 2.95Å; S75-S254 WeakPolarHBondContact CA-OG 3.47Å; S75-S254 VanDerWaalsContact OG-C 3.26Å; S75-S254 PolarHBondContact OG-O 3.15Å; S75-S254 PolarHBondContact OG-OG 3.15Å; S75-C258 VanDerWaalsContact CB-SG 3.58Å; S75-C258 PolarHBondContact OG-SG 3.01Å
76L98.2Very high97.5Very high34 Ų3459.4 Ų59.418%0.17829%0.287CS..Hα-helixtrans-67-33.4172.1-67.7177.6000112.4E68 L72 K73 R74 F79 K80E68-L76 HydrophobicContact CB-CD1 4.18Å; E68-L76 HydrophobicContact CG-CD1 3.74Å; L72-L76 HydrophobicContact CD1-CG 4.32Å; L72-L76 HydrophobicContact CG-CD1 4.32Å; L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 2.76Å; K73-L76 PolarHBondContact O-N 3.46Å; R74-L76 PolarHBondContact O-N 3.45Å; L76-F79 PolarHBondContact O-N 3.28Å; L76-K80 WeakPolarHBondContact O-CG 3.39Å; L76-K80 PolarHBondContact O-N 2.97Å; L76-K80 VanDerWaalsContact O-N 3.09Å
77D97.8Very high97.7Very high69 Ų6952.6 Ų52.637%0.36926%0.255SS..Hα-helixtrans-67.9-41.1173-71.4-27.8000112K73 R74 S75 K80 L81K73-D77 IonicContact NZ-OD1 3.86Å; K73-D77 PolarHBondContact NZ-OD1 3.32Å; K73-D77 IonicContact NZ-OD2 2.68Å; K73-D77 PolarHBondContact NZ-OD2 2.7Å; K73-D77 PolarHBondContact O-N 2.84Å; R74-D77 WeakPolarHBondContact O-CB 3.37Å; R74-D77 PolarHBondContact O-N 3.48Å; S75-D77 VanDerWaalsContact C-N 3.33Å; D77-K80 PolarHBondContact O-N 3.34Å; D77-L81 WeakPolarHBondContact O-CB 3.43Å; D77-L81 PolarHBondContact O-N 3.36Å
78V98.3Very high97.9Very high39 Ų3949.6 Ų49.624%0.23624%0.239CC..Hα-helixtrans-62.4-43.6173175.50000110.8R74 S75 K80 L81 Q82R74-V78 PolarHBondContact O-N 3.49Å; S75-V78 PolarHBondContact O-N 3.38Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 3.32Å; V78-L81 PolarHBondContact O-N 3.12Å; V78-L81 VanDerWaalsContact O-N 3.15Å; V78-Q82 HydrophobicContact CG1-CG 4.09Å; V78-Q82 WeakPolarHBondContact O-CG 3.39Å; V78-Q82 PolarHBondContact O-N 3.46Å
79F98.5Very high98Very high99 Ų9946.1 Ų46.143%0.43422%0.224SC..Hα-helixtrans-56-45.4175.8172.6-123.3000112.4S75 L76 T83 V251S75-F79 PolarHBondContact O-N 2.95Å; L76-F79 PolarHBondContact O-N 3.28Å; F79-T83 WeakPolarHBondContact O-CB 3.43Å; F79-T83 PolarHBondContact O-N 3.13Å; F79-T83 PolarHBondContact O-OG1 3.39Å; F79-V251 HydrophobicContact CB-CG1 3.88Å; F79-V251 HydrophobicContact CD2-CG1 3.93Å; F79-V251 HydrophobicContact CD2-CG2 4.35Å; F79-V251 HydrophobicContact CG-CG1 4.34Å
80K98.2Very high98.3Very high53 Ų5344.5 Ų44.523%0.2322%0.216CC..Hα-helixtrans-63.4-44.4175.2-73.5-175.268.4-175.30112.5S60 K62 C64 L76 D77 V78 T83 E84S60-K80 WeakPolarHBondContact O-CE 3.3Å; S60-K80 PolarHBondContact O-NZ 3Å; K62-K80 WeakPolarHBondContact O-CE 3.36Å; K62-K80 PolarHBondContact O-NZ 2.88Å; C64-K80 HydrophobicContact CB-CD 3.94Å; C64-K80 HydrophobicContact CB-CG 4.12Å; L76-K80 WeakPolarHBondContact O-CG 3.39Å; L76-K80 PolarHBondContact O-N 2.97Å; L76-K80 VanDerWaalsContact O-N 3.09Å; D77-K80 PolarHBondContact O-N 3.34Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 3.32Å; K80-T83 WeakPolarHBondContact O-CB 3.35Å; K80-T83 PolarHBondContact O-N 3.35Å; K80-E84 PolarHBondContact O-N 2.99Å
81L98.4Very high98.4Very high78 Ų7844.9 Ų44.941%0.40822%0.218SC..Hα-helixtrans-60.7-46.9179.117963.6000111.2D77 V78 T83 E84 H85D77-L81 WeakPolarHBondContact O-CB 3.43Å; D77-L81 PolarHBondContact O-N 3.36Å; V78-L81 PolarHBondContact O-N 3.12Å; V78-L81 VanDerWaalsContact O-N 3.15Å; L81-T83 VanDerWaalsContact C-N 3.31Å; L81-T83 PolarHBondContact O-N 2.85Å; L81-E84 WeakPolarHBondContact O-CA 3.35Å; L81-E84 WeakPolarHBondContact O-CB 3.46Å; L81-E84 PolarHBondContact O-N 2.8Å; L81-E84 VanDerWaalsContact O-N 3.09Å; L81-H85 PolarHBondContact O-N 3.45Å
82Q98.7Very high98.4Very high10 Ų1050.8 Ų50.85%0.04725%0.245CC..Hα-helixtrans-69.4-31178.7-59-49.8-22.600112.4V78 E84 H85 V86 E250 V251V78-Q82 HydrophobicContact CG1-CG 4.09Å; V78-Q82 WeakPolarHBondContact O-CG 3.39Å; V78-Q82 PolarHBondContact O-N 3.46Å; Q82-E84 VanDerWaalsContact C-N 3.29Å; Q82-E84 PolarHBondContact O-N 3.37Å; Q82-H85 PolarHBondContact O-N 3.19Å; Q82-H85 PolarHBondContact OE1-ND1 3.5Å; Q82-V86 WeakPolarHBondContact O-CB 3.46Å; Q82-V86 VanDerWaalsContact O-CG2 3.27Å; Q82-V86 WeakPolarHBondContact O-CG2 3.32Å; Q82-V86 PolarHBondContact O-N 3.32Å; Q82-E250 HydrophobicContact CG-CB 4.18Å; Q82-E250 PolarHBondContact NE2-OE2 3.41Å; Q82-E250 PolarHBondContact OE1-OE2 2.87Å; Q82-V251 HydrophobicContact CB-CG2 3.57Å; Q82-V251 HydrophobicContact CG-CG2 3.65Å
83T98.7Very high98.5Very high23 Ų2348.4 Ų48.414%0.14123%0.233CC..Hα-helixtrans-60.2-40.4169.6-580000111.4L56 F79 K80 L81 S87L56-T83 HydrophobicContact CD2-CG2 4.39Å; F79-T83 WeakPolarHBondContact O-CB 3.43Å; F79-T83 PolarHBondContact O-N 3.13Å; F79-T83 PolarHBondContact O-OG1 3.39Å; K80-T83 WeakPolarHBondContact O-CB 3.35Å; K80-T83 PolarHBondContact O-N 3.35Å; L81-T83 VanDerWaalsContact C-N 3.31Å; L81-T83 PolarHBondContact O-N 2.85Å; T83-S87 PolarHBondContact O-N 3.44Å; T83-S87 VanDerWaalsContact O-N 3.08Å
84E98.6Very high98.5Very high69 Ų6946 Ų4632%0.32222%0.222SC..Hα-helixtrans-63.7-47.2173.7179.9166.5-171.600111.8L57 K80 L81 Q82 V86 S87 L88L57-E84 HydrophobicContact CD1-CG 3.88Å; K80-E84 PolarHBondContact O-N 2.99Å; L81-E84 WeakPolarHBondContact O-CA 3.35Å; L81-E84 WeakPolarHBondContact O-CB 3.46Å; L81-E84 PolarHBondContact O-N 2.8Å; L81-E84 VanDerWaalsContact O-N 3.09Å; Q82-E84 VanDerWaalsContact C-N 3.29Å; Q82-E84 PolarHBondContact O-N 3.37Å; E84-V86 PolarHBondContact O-N 3Å; E84-S87 WeakPolarHBondContact O-CA 3.43Å; E84-S87 VanDerWaalsContact O-CB 3.22Å; E84-S87 WeakPolarHBondContact O-CB 3.4Å; E84-S87 PolarHBondContact O-N 2.93Å; E84-S87 VanDerWaalsContact O-N 3.1Å; E84-S87 PolarHBondContact O-OG 2.98Å; E84-S87 VanDerWaalsContact O-OG 3.04Å; E84-L88 HydrophobicContact CG-CD1 4.2Å; E84-L88 HydrophobicContact CG-CG 4.44Å; E84-L88 WeakPolarHBondContact O-CG 3.02Å; E84-L88 PolarHBondContact O-N 3.09Å
85H98.8Very high98.6Very high72 Ų7245.2 Ų45.233%0.33322%0.224SC..Hα-helixtrans-61.6-41.7178.1-67.8166.2000113L81 Q82 S87 L88 S89 L247L81-H85 PolarHBondContact O-N 3.45Å; Q82-H85 PolarHBondContact O-N 3.19Å; Q82-H85 PolarHBondContact OE1-ND1 3.5Å; H85-S87 VanDerWaalsContact C-N 3.3Å; H85-S87 PolarHBondContact O-N 3.19Å; H85-L88 PolarHBondContact O-N 3.27Å; H85-S89 PolarHBondContact O-N 3.21Å; H85-S89 PolarHBondContact O-OG 3.15Å; H85-L247 HydrophobicContact CB-CD1 4.05Å; H85-L247 HydrophobicContact CB-CD2 3.94Å
86V98.8Very high98.6Very high3 Ų346.7 Ų46.72%0.01824%0.235CC..Hα-helixtrans-57.5-47.8172.1170.40000109.1L56 Q82 E84 L88 S89 H90 L247 Y248L56-V86 HydrophobicContact CD1-CG1 3.89Å; Q82-V86 WeakPolarHBondContact O-CB 3.46Å; Q82-V86 VanDerWaalsContact O-CG2 3.27Å; Q82-V86 WeakPolarHBondContact O-CG2 3.32Å; Q82-V86 PolarHBondContact O-N 3.32Å; E84-V86 PolarHBondContact O-N 3Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-L88 PolarHBondContact O-N 3.09Å; V86-S89 PolarHBondContact O-N 2.77Å; V86-S89 PolarHBondContact O-OG 3.45Å; V86-H90 PolarHBondContact O-CD2 2.83Å; V86-H90 PolarHBondContact O-N 2.91Å; V86-L247 HydrophobicContact CB-CD1 4.38Å; V86-L247 HydrophobicContact CG2-CB 3.9Å; V86-L247 HydrophobicContact CG2-CD1 3.6Å; V86-L247 HydrophobicContact CG2-CG 4.41Å; V86-Y248 HydrophobicContact CG2-CD1 4.4Å; V86-Y248 HydrophobicContact CG2-CE1 3.76Å
87S98.8Very high98.6Very high1 Ų145.1 Ų45.11%0.00723%0.226CC..Hα-helixtrans-55-47.1175.2116.80000112.6A53 L57 T83 E84 H85 S89 H90 L91A53-S87 WeakPolarHBondContact CB-O 3.2Å; A53-S87 WeakPolarHBondContact O-CB 3.46Å; L57-S87 WeakPolarHBondContact CB-OG 3.4Å; T83-S87 PolarHBondContact O-N 3.44Å; T83-S87 VanDerWaalsContact O-N 3.08Å; E84-S87 WeakPolarHBondContact O-CA 3.43Å; E84-S87 VanDerWaalsContact O-CB 3.22Å; E84-S87 WeakPolarHBondContact O-CB 3.4Å; E84-S87 PolarHBondContact O-N 2.93Å; E84-S87 VanDerWaalsContact O-N 3.1Å; E84-S87 PolarHBondContact O-OG 2.98Å; E84-S87 VanDerWaalsContact O-OG 3.04Å; H85-S87 VanDerWaalsContact C-N 3.3Å; H85-S87 PolarHBondContact O-N 3.19Å; S87-S89 PolarHBondContact O-N 3.42Å; S87-H90 PolarHBondContact O-N 3.29Å; S87-L91 PolarHBondContact O-N 3.06Å
88L98.8Very high98.6Very high75 Ų7546.1 Ų46.139%0.39323%0.225SC..Hα-helixtrans-66.8-39.1-177.5-66.9175.4000111.6E84 H85 V86 L91 Q92E84-L88 HydrophobicContact CG-CD1 4.2Å; E84-L88 HydrophobicContact CG-CG 4.44Å; E84-L88 WeakPolarHBondContact O-CG 3.02Å; E84-L88 PolarHBondContact O-N 3.09Å; H85-L88 PolarHBondContact O-N 3.27Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-L88 PolarHBondContact O-N 3.09Å; L88-L91 WeakPolarHBondContact O-CB 3.29Å; L88-L91 PolarHBondContact O-N 3.4Å; L88-Q92 PolarHBondContact O-N 3.14Å
89S98.8Very high98.6Very high16 Ų1649.7 Ų49.711%0.11224%0.239CC..Hα-helixtrans-64-42.1175.668.50000112.3H85 V86 S87 L91 Q92 L93 Q240H85-S89 PolarHBondContact O-N 3.21Å; H85-S89 PolarHBondContact O-OG 3.15Å; V86-S89 PolarHBondContact O-N 2.77Å; V86-S89 PolarHBondContact O-OG 3.45Å; S87-S89 PolarHBondContact O-N 3.42Å; S89-L91 VanDerWaalsContact C-N 3.33Å; S89-L91 PolarHBondContact O-N 2.77Å; S89-Q92 PolarHBondContact O-N 3.03Å; S89-L93 PolarHBondContact O-N 3.33Å; S89-Q240 PolarHBondContact OG-NE2 3.37Å
90H98.8Very high98.6Very high19 Ų1946 Ų469%0.08822%0.223CC..Hα-helixtrans-65.3-34.9173.3-78.7-77.2000112.3E49 Y52 A53 V86 S87 L93 A94 Q240E49-H90 IonicContact OE1-CE1 3.92Å; E49-H90 PolarHBondContact OE1-CE1 2.9Å; E49-H90 IonicContact OE1-CG 2.67Å; E49-H90 IonicContact OE1-ND1 3.79Å; E49-H90 PolarHBondContact OE1-ND1 2.94Å; Y52-H90 HydrophobicContact CD1-CB 4.41Å; Y52-H90 AromaticContact CD1-CG 3.97Å; Y52-H90 AromaticContact CE1-CD2 3.72Å; Y52-H90 AromaticContact CE1-CE1 3.85Å; Y52-H90 AromaticContact CE1-CG 3.98Å; Y52-H90 AromaticContact CE1-NE2 3.67Å; A53-H90 HydrophobicContact CB-CB 3.81Å; V86-H90 PolarHBondContact O-CD2 2.83Å; V86-H90 PolarHBondContact O-N 2.91Å; S87-H90 PolarHBondContact O-N 3.29Å; H90-L93 PolarHBondContact O-N 2.94Å; H90-A94 PolarHBondContact O-N 3.44Å; H90-Q240 PolarHBondContact CD2-NE2 3.17Å; H90-Q240 PolarHBondContact CE1-NE2 3.45Å; H90-Q240 VanDerWaalsContact CE1-NE2 3.32Å; H90-Q240 VanDerWaalsContact CG-NE2 3.27Å; H90-Q240 PolarHBondContact ND1-NE2 3.04Å; H90-Q240 PolarHBondContact NE2-NE2 2.91Å; H90-Q240 VanDerWaalsContact NE2-NE2 3.12Å
91L98.6Very high98.6Very high41 Ų4143.7 Ų43.722%0.21521%0.213CC..Hα-helixtrans-64.8-42.6174.6-17262000111.3E50 A53 S87 L88 S89 A94 Q95E50-L91 HydrophobicContact CG-CD1 3.96Å; A53-L91 HydrophobicContact CB-CB 3.91Å; A53-L91 HydrophobicContact CB-CD1 4.43Å; S87-L91 PolarHBondContact O-N 3.06Å; L88-L91 WeakPolarHBondContact O-CB 3.29Å; L88-L91 PolarHBondContact O-N 3.4Å; S89-L91 VanDerWaalsContact C-N 3.33Å; S89-L91 PolarHBondContact O-N 2.77Å; L91-A94 WeakPolarHBondContact O-CB 3.45Å; L91-A94 PolarHBondContact O-N 3.27Å; L91-Q95 WeakPolarHBondContact O-CG 3.33Å; L91-Q95 PolarHBondContact O-N 3.49Å; L91-Q95 VanDerWaalsContact O-N 3.14Å
92Q98.7Very high98.6Very high127 Ų12746 Ų4659%0.59322%0.22SC*.Hα-helixtrans-63.6-44174.8-175.7178.53.600111.4L88 S89 A94 Q95 S96L88-Q92 PolarHBondContact O-N 3.14Å; S89-Q92 PolarHBondContact O-N 3.03Å; Q92-A94 VanDerWaalsContact C-N 3.31Å; Q92-A94 PolarHBondContact O-N 3.04Å; Q92-Q95 WeakPolarHBondContact O-CB 3.28Å; Q92-Q95 PolarHBondContact O-N 3.43Å; Q92-S96 PolarHBondContact O-N 3.48Å; Q92-S96 PolarHBondContact O-OG 3.47Å
93L98.8Very high98.5Very high11 Ų1150.5 Ų50.56%0.05824%0.24CC..Hα-helixtrans-56.3-45.9174.5174.662.9000111.4E49 S89 H90 Q95 S96 M97 Q236 L237 Q240E49-L93 HydrophobicContact CG-CD2 4.1Å; E49-L93 HydrophobicContact CG-CG 4.36Å; E49-L93 WeakPolarHBondContact OE1-CD2 3.42Å; S89-L93 PolarHBondContact O-N 3.33Å; H90-L93 PolarHBondContact O-N 2.94Å; L93-Q95 PolarHBondContact O-N 3.25Å; L93-S96 PolarHBondContact O-N 3.05Å; L93-M97 HydrophobicContact CD1-CE 3.78Å; L93-M97 HydrophobicContact CD1-CG 4.38Å; L93-M97 HydrophobicContact CD2-CE 3.77Å; L93-M97 HydrophobicContact CG-CE 3.63Å; L93-M97 HydrophobicContact CG-SD 4.45Å; L93-M97 WeakPolarHBondContact O-CG 3.37Å; L93-M97 PolarHBondContact O-N 2.8Å; L93-Q236 HydrophobicContact CD1-CB 3.71Å; L93-L237 HydrophobicContact CD2-CD2 4.13Å; L93-Q240 HydrophobicContact CD2-CB 3.69Å; L93-Q240 HydrophobicContact CD2-CG 3.64Å
94A98.8Very high98.5Very high0 Ų049.4 Ų49.40%023%0.233CC..Hα-helixtrans-60.9-32.6177.100000112.8E49 E50 H90 L91 Q92 R98E49-A94 HydrophobicContact CB-CB 3.95Å; E49-A94 HydrophobicContact CG-CB 4.17Å; E50-A94 HydrophobicContact CB-CB 3.96Å; H90-A94 PolarHBondContact O-N 3.44Å; L91-A94 WeakPolarHBondContact O-CB 3.45Å; L91-A94 PolarHBondContact O-N 3.27Å; Q92-A94 VanDerWaalsContact C-N 3.31Å; Q92-A94 PolarHBondContact O-N 3.04Å; A94-R98 WeakPolarHBondContact O-CG 3.35Å; A94-R98 PolarHBondContact O-N 2.9Å; A94-R98 PolarHBondContact O-NE 3.41Å
95Q98.5Very high98.5Very high108 Ų10848.9 Ų48.951%0.50523%0.23SC..Hα-helixtrans-71-48.5173.7-68.5170.7-1.700111.1L91 Q92 L93 M97 R98 E99L91-Q95 WeakPolarHBondContact O-CG 3.33Å; L91-Q95 PolarHBondContact O-N 3.49Å; L91-Q95 VanDerWaalsContact O-N 3.14Å; Q92-Q95 WeakPolarHBondContact O-CB 3.28Å; Q92-Q95 PolarHBondContact O-N 3.43Å; L93-Q95 PolarHBondContact O-N 3.25Å; Q95-M97 VanDerWaalsContact C-N 3.28Å; Q95-M97 PolarHBondContact O-N 3.03Å; Q95-R98 WeakPolarHBondContact O-CA 3.39Å; Q95-R98 WeakPolarHBondContact O-CB 3.37Å; Q95-R98 PolarHBondContact O-N 3.23Å; Q95-E99 PolarHBondContact O-N 2.81Å
96S98.3Very high98.5Very high34 Ų3450.1 Ų50.124%0.23824%0.239CC..Hα-helixtrans-59-37.8176.7-61.10000112.6Q92 L93 R98 E99 E100Q92-S96 PolarHBondContact O-N 3.48Å; Q92-S96 PolarHBondContact O-OG 3.47Å; L93-S96 PolarHBondContact O-N 3.05Å; S96-R98 VanDerWaalsContact C-N 3.32Å; S96-R98 PolarHBondContact O-N 3.44Å; S96-E99 WeakPolarHBondContact O-CB 3.43Å; S96-E99 PolarHBondContact O-N 2.93Å; S96-E100 PolarHBondContact O-N 3.46Å; S96-E100 VanDerWaalsContact O-N 3.1Å
97M98.4Very high98.5Very high0 Ų051.5 Ų51.50%025%0.245CC..Hα-helixtrans-60.7-39.1172.8-70.9177.5179.500112.4R45 A46 L93 Q95 E99 E100 V101 L237R45-M97 HydrophobicContact CG-CE 4.43Å; R45-M97 HydrophobicContact CG-SD 4.19Å; A46-M97 HydrophobicContact CB-CB 3.78Å; A46-M97 HydrophobicContact CB-SD 4.2Å; L93-M97 HydrophobicContact CD1-CE 3.78Å; L93-M97 HydrophobicContact CD1-CG 4.38Å; L93-M97 HydrophobicContact CD2-CE 3.77Å; L93-M97 HydrophobicContact CG-CE 3.63Å; L93-M97 HydrophobicContact CG-SD 4.45Å; L93-M97 WeakPolarHBondContact O-CG 3.37Å; L93-M97 PolarHBondContact O-N 2.8Å; Q95-M97 VanDerWaalsContact C-N 3.28Å; Q95-M97 PolarHBondContact O-N 3.03Å; M97-E99 VanDerWaalsContact C-N 3.35Å; M97-E100 PolarHBondContact O-N 3.15Å; M97-V101 WeakPolarHBondContact O-CG2 3.37Å; M97-V101 PolarHBondContact O-N 3.48Å; M97-L237 HydrophobicContact CE-CD2 3.3Å; M97-L237 HydrophobicContact CE-CG 4.06Å
98R98.4Very high98.4Very high90 Ų9052.5 Ų52.534%0.3425%0.25SC..Hα-helixtrans-69.1-33.6177.1-72.3176.2-134.1-104.3-3.6112.5A46 E50 A94 Q95 S96 V101 K102A46-R98 HydrophobicContact CB-CG 4.09Å; A46-R98 PolarHBondContact O-NH2 2.96Å; E50-R98 VanDerWaalsContact CB-NH2 3.3Å; E50-R98 IonicContact OE2-CZ 3.94Å; E50-R98 IonicContact OE2-NH1 2.68Å; E50-R98 PolarHBondContact OE2-NH1 2.93Å; E50-R98 IonicContact OE2-NH2 3.82Å; E50-R98 PolarHBondContact OE2-NH2 3.45Å; A94-R98 WeakPolarHBondContact O-CG 3.35Å; A94-R98 PolarHBondContact O-N 2.9Å; A94-R98 PolarHBondContact O-NE 3.41Å; Q95-R98 WeakPolarHBondContact O-CA 3.39Å; Q95-R98 WeakPolarHBondContact O-CB 3.37Å; Q95-R98 PolarHBondContact O-N 3.23Å; S96-R98 VanDerWaalsContact C-N 3.32Å; S96-R98 PolarHBondContact O-N 3.44Å; R98-V101 WeakPolarHBondContact O-CB 3.44Å; R98-V101 PolarHBondContact O-N 2.99Å; R98-K102 WeakPolarHBondContact O-CB 3.43Å; R98-K102 PolarHBondContact O-N 3.3Å
99E98.2Very high98.4Very high115 Ų11552.4 Ų52.454%0.53725%0.247SC..Hα-helixtrans-64.7-42.4173.7-66.6174.4173.700111.3Q95 S96 M97 K102 K103Q95-E99 PolarHBondContact O-N 2.81Å; S96-E99 WeakPolarHBondContact O-CB 3.43Å; S96-E99 PolarHBondContact O-N 2.93Å; M97-E99 VanDerWaalsContact C-N 3.35Å; E99-K102 WeakPolarHBondContact O-CB 3.41Å; E99-K102 PolarHBondContact O-N 3.07Å; E99-K103 WeakPolarHBondContact O-CG 3.31Å; E99-K103 PolarHBondContact O-N 3.31Å
100E97.6Very high98.3Very high22 Ų2259.4 Ų59.410%0.10328%0.275CS..Hα-helixtrans-64.3-40.9174-67.4-52.4131.300112.3M42 S96 M97 K102 K103 L104 T232M42-E100 HydrophobicContact CE-CB 4.13Å; S96-E100 PolarHBondContact O-N 3.46Å; S96-E100 VanDerWaalsContact O-N 3.1Å; M97-E100 PolarHBondContact O-N 3.15Å; E100-K102 VanDerWaalsContact C-N 3.3Å; E100-K102 PolarHBondContact O-N 3.07Å; E100-K103 PolarHBondContact O-N 2.96Å; E100-K103 IonicContact OE1-NZ 3.19Å; E100-K103 PolarHBondContact OE1-NZ 2.89Å; E100-K103 IonicContact OE2-NZ 3.86Å; E100-L104 PolarHBondContact O-N 2.95Å; E100-L104 VanDerWaalsContact O-N 3.11Å; E100-T232 HydrophobicContact CG-CG2 4.36Å
101V98.4Very high98.2Very high4 Ų459 Ų592%0.02427%0.274CS..Hα-helixtrans-56.5-46171.8164.20000110.9E39 M42 K43 M97 R98 K103 L104 E105E39-V101 HydrophobicContact CG-CG1 3.97Å; M42-V101 HydrophobicContact CB-CG2 3.48Å; M42-V101 VanDerWaalsContact CB-CG2 3.48Å; M42-V101 HydrophobicContact CE-CG2 4.49Å; K43-V101 HydrophobicContact CD-CG1 4.06Å; K43-V101 HydrophobicContact CG-CB 4.46Å; K43-V101 HydrophobicContact CG-CG1 3.56Å; K43-V101 HydrophobicContact CG-CG2 4.15Å; M97-V101 WeakPolarHBondContact O-CG2 3.37Å; M97-V101 PolarHBondContact O-N 3.48Å; R98-V101 WeakPolarHBondContact O-CB 3.44Å; R98-V101 PolarHBondContact O-N 2.99Å; V101-K103 VanDerWaalsContact C-N 3.34Å; V101-K103 PolarHBondContact O-N 3.07Å; V101-L104 WeakPolarHBondContact O-CB 3.23Å; V101-L104 PolarHBondContact O-N 2.67Å; V101-L104 VanDerWaalsContact O-N 3.09Å; V101-E105 WeakPolarHBondContact O-CG 3.23Å; V101-E105 PolarHBondContact O-N 2.83Å
102K98.4Very high98.2Very high125 Ų12560.2 Ų60.254%0.54328%0.277SS..Hα-helixtrans-61.6-41.5179.4-174.1178.3179.3-179.30111.9R98 E99 E100 L104 E105 D106R98-K102 WeakPolarHBondContact O-CB 3.43Å; R98-K102 PolarHBondContact O-N 3.3Å; E99-K102 WeakPolarHBondContact O-CB 3.41Å; E99-K102 PolarHBondContact O-N 3.07Å; E100-K102 VanDerWaalsContact C-N 3.3Å; E100-K102 PolarHBondContact O-N 3.07Å; K102-L104 VanDerWaalsContact C-N 3.26Å; K102-L104 PolarHBondContact O-N 2.89Å; K102-E105 WeakPolarHBondContact O-CB 3.47Å; K102-E105 PolarHBondContact O-N 3.39Å; K102-D106 PolarHBondContact O-N 2.93Å
103K98.4Very high98.1Very high106 Ų10658.3 Ų58.346%0.46127%0.268SS..Hα-helixtrans-59.3-38.6174.1-67.2171.1-170.9169.60111.7E99 E100 V101 F107 F225E99-K103 WeakPolarHBondContact O-CG 3.31Å; E99-K103 PolarHBondContact O-N 3.31Å; E100-K103 PolarHBondContact O-N 2.96Å; E100-K103 IonicContact OE1-NZ 3.19Å; E100-K103 PolarHBondContact OE1-NZ 2.89Å; E100-K103 IonicContact OE2-NZ 3.86Å; V101-K103 VanDerWaalsContact C-N 3.34Å; V101-K103 PolarHBondContact O-N 3.07Å; K103-F107 VanDerWaalsContact O-CB 3.32Å; K103-F107 WeakPolarHBondContact O-CB 3.44Å; K103-F107 PolarHBondContact O-N 3.32Å; K103-F225 HydrophobicContact CB-CZ 4.43Å
104L98.4Very high97.9Very high0 Ų060 Ų600%028%0.283CS..Hα-helixtrans-68.7-39.117617860.1000112.5C35 V38 E39 E100 V101 K102 F107 K108 F225 L226C35-L104 HydrophobicContact CB-CD1 4.2Å; V38-L104 HydrophobicContact CB-CD2 4.26Å; V38-L104 HydrophobicContact CG1-CD2 3.96Å; E39-L104 HydrophobicContact CB-CD2 3.98Å; E100-L104 PolarHBondContact O-N 2.95Å; E100-L104 VanDerWaalsContact O-N 3.11Å; V101-L104 WeakPolarHBondContact O-CB 3.23Å; V101-L104 PolarHBondContact O-N 2.67Å; V101-L104 VanDerWaalsContact O-N 3.09Å; K102-L104 VanDerWaalsContact C-N 3.26Å; K102-L104 PolarHBondContact O-N 2.89Å; L104-F107 HydrophobicContact CD1-CD1 4.46Å; L104-F107 PolarHBondContact O-N 2.92Å; L104-K108 VanDerWaalsContact O-CB 3.29Å; L104-K108 WeakPolarHBondContact O-CB 3.33Å; L104-K108 PolarHBondContact O-N 3.35Å; L104-F225 HydrophobicContact CB-CE1 4.1Å; L104-F225 HydrophobicContact CD1-CD1 3.95Å; L104-F225 HydrophobicContact CD1-CE1 3.64Å; L104-F225 HydrophobicContact CG-CE1 4.49Å; L104-L226 HydrophobicContact CD1-CD2 3.78Å; L104-L226 HydrophobicContact CD2-CD2 4.37Å
105E98.4Very high97.9Very high58 Ų5860.3 Ų60.327%0.27129%0.285SS..Hα-helixtrans-59.7-50.6173-69.4175.7142.900111.5E39 K43 V101 K102 F107 K108 E109E39-E105 HydrophobicContact CG-CG 3.88Å; K43-E105 VanDerWaalsContact CE-OE1 3.24Å; K43-E105 WeakPolarHBondContact CE-OE1 3.36Å; K43-E105 IonicContact NZ-OE1 3.71Å; K43-E105 PolarHBondContact NZ-OE1 2.84Å; V101-E105 WeakPolarHBondContact O-CG 3.23Å; V101-E105 PolarHBondContact O-N 2.83Å; K102-E105 WeakPolarHBondContact O-CB 3.47Å; K102-E105 PolarHBondContact O-N 3.39Å; E105-F107 VanDerWaalsContact C-N 3.34Å; E105-F107 PolarHBondContact O-N 2.83Å; E105-K108 PolarHBondContact O-N 3.37Å; E105-E109 PolarHBondContact O-N 3.06Å
106D98.5Very high97.8Very high98 Ų9860 Ų6052%0.52428%0.282SS..Hα-helixtrans-60.9-44.1179.8-71.2-22.4000111.1K102 K110K102-D106 PolarHBondContact O-N 2.93Å; D106-K110 VanDerWaalsContact O-CB 3.24Å; D106-K110 WeakPolarHBondContact O-CB 3.47Å; D106-K110 PolarHBondContact O-N 3.5Å
107F98.5Very high97.7Very high32 Ų3265.7 Ų65.714%0.1430%0.302CS..Hα-helixtrans-58.5-49.3174.9171.3-97.5000111.8K103 L104 E105 K110 Q111 R222 F225K103-F107 VanDerWaalsContact O-CB 3.32Å; K103-F107 WeakPolarHBondContact O-CB 3.44Å; K103-F107 PolarHBondContact O-N 3.32Å; L104-F107 HydrophobicContact CD1-CD1 4.46Å; L104-F107 PolarHBondContact O-N 2.92Å; E105-F107 VanDerWaalsContact C-N 3.34Å; E105-F107 PolarHBondContact O-N 2.83Å; F107-K110 PolarHBondContact O-N 3.47Å; F107-Q111 WeakPolarHBondContact O-CB 3.25Å; F107-Q111 PolarHBondContact O-N 2.84Å; F107-R222 HydrophobicContact CE1-CB 4.31Å; F107-R222 HydrophobicContact CE1-CG 4.3Å; F107-R222 HydrophobicContact CZ-CB 4.2Å; F107-F225 HydrophobicContact CB-CD1 4.29Å; F107-F225 HydrophobicContact CB-CD2 4.43Å; F107-F225 HydrophobicContact CB-CE1 3.84Å; F107-F225 HydrophobicContact CB-CE2 3.98Å; F107-F225 HydrophobicContact CB-CZ 3.66Å; F107-F225 AromaticContact CD1-CD1 3.72Å; F107-F225 HydrophobicContact CD1-CD1 3.72Å; F107-F225 HydrophobicContact CD1-CE1 4.06Å; F107-F225 HydrophobicContact CD1-CG 4.02Å; F107-F225 HydrophobicContact CD2-CB 4.44Å; F107-F225 HydrophobicContact CD2-CD1 4.34Å; F107-F225 AromaticContact CD2-CD2 3.77Å; F107-F225 HydrophobicContact CD2-CD2 3.77Å; F107-F225 HydrophobicContact CD2-CE2 4.07Å; F107-F225 AromaticContact CD2-CG 3.91Å; F107-F225 HydrophobicContact CD2-CG 3.91Å; F107-F225 HydrophobicContact CD2-CZ 4.5Å; F107-F225 HydrophobicContact CE1-CB 4.22Å; F107-F225 HydrophobicContact CE1-CD1 4.16Å; F107-F225 HydrophobicContact CE1-CG 4.21Å; F107-F225 HydrophobicContact CE2-CB 4.12Å; F107-F225 HydrophobicContact CE2-CD2 4.2Å; F107-F225 HydrophobicContact CE2-CG 4.1Å; F107-F225 AromaticContact CG-CD1 3.84Å; F107-F225 HydrophobicContact CG-CD1 3.84Å; F107-F225 AromaticContact CG-CD2 4Å; F107-F225 HydrophobicContact CG-CD2 4Å; F107-F225 AromaticContact CG-CE1 3.92Å; F107-F225 HydrophobicContact CG-CE1 3.92Å; F107-F225 HydrophobicContact CG-CE2 4.05Å; F107-F225 AromaticContact CG-CG 3.89Å; F107-F225 HydrophobicContact CG-CG 3.89Å; F107-F225 HydrophobicContact CG-CZ 4.02Å; F107-F225 HydrophobicContact CZ-CB 4.02Å; F107-F225 HydrophobicContact CZ-CG 4.25Å
108K97.8Very high97.6Very high22 Ų2266.6 Ų66.610%0.09631%0.307CS..Hα-helixtrans-61.4-45.5-178.6-179.5-166.370.6-169.60111.8K32 C35 E39 L104 E105 K112K32-K108 HydrophobicContact CG-CD 4.29Å; K32-K108 HydrophobicContact CG-CG 3.87Å; C35-K108 HydrophobicContact CB-CD 4.32Å; C35-K108 HydrophobicContact CB-CG 4.27Å; E39-K108 IonicContact OE2-NZ 2.84Å; E39-K108 PolarHBondContact OE2-NZ 2.94Å; L104-K108 VanDerWaalsContact O-CB 3.29Å; L104-K108 WeakPolarHBondContact O-CB 3.33Å; L104-K108 PolarHBondContact O-N 3.35Å; E105-K108 PolarHBondContact O-N 3.37Å; K108-K112 WeakPolarHBondContact O-CB 3.35Å; K108-K112 PolarHBondContact O-N 3.41Å
109E98Very high97.6Very high72 Ų7264.4 Ų64.434%0.33630%0.301SS..Hα-helixtrans-70.4-39.9178.8-69.6-52118.700111.8E105 Q111 K112 E113E105-E109 PolarHBondContact O-N 3.06Å; E109-Q111 VanDerWaalsContact C-N 3.33Å; E109-Q111 PolarHBondContact O-N 3.24Å; E109-K112 PolarHBondContact O-N 2.87Å; E109-K112 WeakPolarHBondContact OE2-CD 3.33Å; E109-K112 IonicContact OE2-NZ 3.76Å; E109-K112 PolarHBondContact OE2-NZ 3.36Å; E109-E113 WeakPolarHBondContact O-CG 3.45Å; E109-E113 PolarHBondContact O-N 3.32Å
110K97.4Very high97.5Very high164 Ų16464.4 Ų64.471%0.71330%0.3SS*.Hα-helixtrans-58.4-44.9174.1-177.3179.2178.7-178.80111.8D106 F107 E113 A114D106-K110 VanDerWaalsContact O-CB 3.24Å; D106-K110 WeakPolarHBondContact O-CB 3.47Å; D106-K110 PolarHBondContact O-N 3.5Å; F107-K110 PolarHBondContact O-N 3.47Å; K110-E113 PolarHBondContact O-N 3.48Å; K110-A114 WeakPolarHBondContact O-CB 3.4Å; K110-A114 PolarHBondContact O-N 2.95Å
111Q96.6Very high97.5Very high11 Ų1167.5 Ų67.55%0.05132%0.315CS..Hα-helixtrans-65.6-41.6179.2-172.1174.672.700111.8F107 E109 A114 R115 Q218F107-Q111 WeakPolarHBondContact O-CB 3.25Å; F107-Q111 PolarHBondContact O-N 2.84Å; E109-Q111 VanDerWaalsContact C-N 3.33Å; E109-Q111 PolarHBondContact O-N 3.24Å; Q111-A114 PolarHBondContact O-N 2.93Å; Q111-R115 WeakPolarHBondContact O-CB 3.36Å; Q111-R115 PolarHBondContact O-N 3.44Å; Q111-Q218 HydrophobicContact CG-CB 4.43Å; Q111-Q218 HydrophobicContact CG-CG 4.33Å; Q111-Q218 PolarHBondContact NE2-O 3.48Å
112K97.4Very high97.5Very high65 Ų6567.3 Ų67.328%0.28331%0.314SS..Hα-helixtrans-60.1-48175.4174.1-149.9174.1-157.70111.9K108 E109 R115 K116K108-K112 WeakPolarHBondContact O-CB 3.35Å; K108-K112 PolarHBondContact O-N 3.41Å; E109-K112 PolarHBondContact O-N 2.87Å; E109-K112 WeakPolarHBondContact OE2-CD 3.33Å; E109-K112 IonicContact OE2-NZ 3.76Å; E109-K112 PolarHBondContact OE2-NZ 3.36Å; K112-R115 PolarHBondContact O-N 2.9Å; K112-K116 WeakPolarHBondContact O-CB 3.43Å; K112-K116 PolarHBondContact O-N 2.86Å
113E97Very high97.4Very high87 Ų8764.8 Ų64.841%0.40731%0.306SS..Hα-helixtrans-67.7-37-179.9-67.4-52.8133.100112.4E109 K110E109-E113 WeakPolarHBondContact O-CG 3.45Å; E109-E113 PolarHBondContact O-N 3.32Å; K110-E113 PolarHBondContact O-N 3.48Å
114A95.5Very high97.4Very high46 Ų4662.4 Ų62.438%0.3831%0.306SS..Hα-helixtrans-63.3-43.7173.600000111.9K110 Q111K110-A114 WeakPolarHBondContact O-CB 3.4Å; K110-A114 PolarHBondContact O-N 2.95Å; Q111-A114 PolarHBondContact O-N 2.93Å
115R97Very high97.3Very high8 Ų863.7 Ų63.73%0.0331%0.313CS..Hα-helixtrans-64.9-42.9179.3-172.3177.562.4-120.113.7112.5L28 N29 Q111 K112 K117 I118 E119 F215L28-R115 HydrophobicContact CD1-CG 4.41Å; N29-R115 PolarHBondContact OD1-NH2 2.96Å; Q111-R115 WeakPolarHBondContact O-CB 3.36Å; Q111-R115 PolarHBondContact O-N 3.44Å; K112-R115 PolarHBondContact O-N 2.9Å; R115-K117 PolarHBondContact O-N 3.32Å; R115-K117 VanDerWaalsContact O-N 3.16Å; R115-I118 PolarHBondContact O-N 2.99Å; R115-E119 WeakPolarHBondContact CD-OE1 3.13Å; R115-E119 HydrophobicContact CG-CG 4.07Å; R115-E119 VanDerWaalsContact CG-OE1 3.24Å; R115-E119 WeakPolarHBondContact CG-OE1 3.42Å; R115-E119 IonicContact NE-OE1 2.65Å; R115-E119 PolarHBondContact NE-OE1 3.36Å; R115-E119 PolarHBondContact O-N 3.09Å; R115-F215 HydrophobicContact CG-CD1 4.39Å; R115-F215 HydrophobicContact CG-CE1 3.79Å
116K97.1Very high97.3Very high100 Ų10061.8 Ų61.844%0.43530%0.304SS..Hα-helixtrans-53.2-38.5-178-176.3179.8178.1-175.30113.3K112 E119 Q120K112-K116 WeakPolarHBondContact O-CB 3.43Å; K112-K116 PolarHBondContact O-N 2.86Å; K116-E119 PolarHBondContact O-N 3.08Å; K116-Q120 VanDerWaalsContact O-CG 3.3Å; K116-Q120 WeakPolarHBondContact O-CG 3.49Å; K116-Q120 PolarHBondContact O-N 2.97Å
117K95.4Very high97.2Very high155 Ų15564.4 Ų64.467%0.67431%0.311SS*.Hα-helixtrans-64-42.2178.9-66.8-178.4-179.7-178.40112.1R115 Q121R115-K117 PolarHBondContact O-N 3.32Å; R115-K117 VanDerWaalsContact O-N 3.16Å; K117-Q121 PolarHBondContact O-N 3.49Å
118I97.3Very high97.1Very high19 Ų1967.6 Ų67.610%0.09733%0.326CS..Hα-helixtrans-71-42180-55.4164.9000109.5R115 Q120 Q121 M122 A211 I214 F215R115-I118 PolarHBondContact O-N 2.99Å; I118-Q120 VanDerWaalsContact C-N 3.33Å; I118-Q120 PolarHBondContact O-N 3.33Å; I118-Q121 PolarHBondContact O-N 3.27Å; I118-M122 HydrophobicContact CG2-CG 4.38Å; I118-M122 WeakPolarHBondContact O-CG 2.99Å; I118-M122 PolarHBondContact O-N 3.25Å; I118-A211 HydrophobicContact CG2-CB 3.78Å; I118-I214 HydrophobicContact CD1-CB 4.06Å; I118-I214 HydrophobicContact CD1-CD1 3.97Å; I118-I214 HydrophobicContact CD1-CG2 3.37Å; I118-F215 HydrophobicContact CB-CE1 4Å; I118-F215 HydrophobicContact CB-CZ 4.07Å; I118-F215 HydrophobicContact CD1-CE1 4.07Å; I118-F215 HydrophobicContact CG2-CE1 3.8Å; I118-F215 HydrophobicContact CG2-CE2 4.4Å; I118-F215 HydrophobicContact CG2-CZ 3.55Å
119E97.7Very high97.1Very high44 Ų4466.7 Ų66.721%0.20632%0.322CS..Hα-helixtrans-57.2-46.2175.7-72.4174.9-171.800111.5Y21 I25 R115 K116 Q121 M122 D123Y21-E119 WeakPolarHBondContact OH-CA 3.45Å; I25-E119 HydrophobicContact CD1-CG 3.87Å; R115-E119 WeakPolarHBondContact CD-OE1 3.13Å; R115-E119 HydrophobicContact CG-CG 4.07Å; R115-E119 VanDerWaalsContact CG-OE1 3.24Å; R115-E119 WeakPolarHBondContact CG-OE1 3.42Å; R115-E119 IonicContact NE-OE1 2.65Å; R115-E119 PolarHBondContact NE-OE1 3.36Å; R115-E119 PolarHBondContact O-N 3.09Å; K116-E119 PolarHBondContact O-N 3.08Å; E119-Q121 VanDerWaalsContact C-N 3.34Å; E119-Q121 PolarHBondContact O-N 3.4Å; E119-M122 PolarHBondContact O-N 3.32Å; E119-D123 WeakPolarHBondContact O-CB 3.47Å; E119-D123 VanDerWaalsContact O-CG 3.26Å; E119-D123 PolarHBondContact O-N 3.28Å
120Q97.7Very high97.1Very high114 Ų11465.9 Ų65.953%0.53333%0.325SS..Hα-helixtrans-61.2-40.5177.4-74.1175-1700113.1K116 I118 A124K116-Q120 VanDerWaalsContact O-CG 3.3Å; K116-Q120 WeakPolarHBondContact O-CG 3.49Å; K116-Q120 PolarHBondContact O-N 2.97Å; I118-Q120 VanDerWaalsContact C-N 3.33Å; I118-Q120 PolarHBondContact O-N 3.33Å; Q120-A124 PolarHBondContact O-N 2.91Å; Q120-A124 VanDerWaalsContact O-N 3.14Å
121Q97.1Very high97.1Very high88 Ų8862 Ų6241%0.41132%0.318SS..Hα-helixtrans-66.8-45.3177.6-176.7175.2-6.400111.3K117 I118 E119 A124 L125 E207K117-Q121 PolarHBondContact O-N 3.49Å; I118-Q121 PolarHBondContact O-N 3.27Å; E119-Q121 VanDerWaalsContact C-N 3.34Å; E119-Q121 PolarHBondContact O-N 3.4Å; Q121-A124 PolarHBondContact O-N 2.92Å; Q121-L125 HydrophobicContact CG-CD1 4.48Å; Q121-L125 WeakPolarHBondContact O-CG 3.37Å; Q121-L125 PolarHBondContact O-N 3.15Å; Q121-L125 VanDerWaalsContact O-N 3.08Å; Q121-E207 HydrophobicContact CG-CG 4.32Å; Q121-E207 PolarHBondContact NE2-OE1 3.02Å; Q121-E207 PolarHBondContact NE2-OE2 3.43Å
122M97.8Very high97.1Very high0 Ų062.6 Ų62.60%032%0.321CS..Hα-helixtrans-63.9-41.9177.2-73.2-58.8-62.100112Y21 I118 E119 A124 L125 H126 E207 H208 A211Y21-M122 HydrophobicContact CD2-CB 4.5Å; Y21-M122 HydrophobicContact CD2-CE 4.21Å; Y21-M122 HydrophobicContact CE2-CB 3.68Å; Y21-M122 HydrophobicContact CE2-CE 4.42Å; Y21-M122 HydrophobicContact CE2-CG 3.82Å; I118-M122 HydrophobicContact CG2-CG 4.38Å; I118-M122 WeakPolarHBondContact O-CG 2.99Å; I118-M122 PolarHBondContact O-N 3.25Å; E119-M122 PolarHBondContact O-N 3.32Å; M122-A124 VanDerWaalsContact C-N 3.32Å; M122-A124 PolarHBondContact O-N 3.19Å; M122-L125 PolarHBondContact O-N 3.41Å; M122-H126 WeakPolarHBondContact O-CB 3.36Å; M122-H126 VanDerWaalsContact O-CG 3.24Å; M122-H126 PolarHBondContact O-N 2.89Å; M122-H126 PolarHBondContact O-ND1 3.18Å; M122-E207 HydrophobicContact SD-CB 4.13Å; M122-E207 HydrophobicContact SD-CG 3.69Å; M122-H208 HydrophobicContact CE-CB 4.07Å; M122-A211 HydrophobicContact CG-CB 4.07Å; M122-A211 HydrophobicContact SD-CB 4.06Å
123D97.4Very high97.2Very high72 Ų7262.1 Ų62.139%0.38532%0.319SS..Hα-helixtrans-60.3-40.7175.9-77.9-8000112.4E119 K127E119-D123 WeakPolarHBondContact O-CB 3.47Å; E119-D123 VanDerWaalsContact O-CG 3.26Å; E119-D123 PolarHBondContact O-N 3.28Å; D123-K127 WeakPolarHBondContact O-CB 3.45Å; D123-K127 VanDerWaalsContact O-CG 3.31Å; D123-K127 WeakPolarHBondContact O-CG 3.35Å; D123-K127 PolarHBondContact O-N 2.97Å
124A97.8Very high97.2Very high56 Ų5664.6 Ų64.646%0.46333%0.328SS..Hα-helixtrans-64.1-46.1176.300000111.3Q120 Q121 M122 K127 Q128Q120-A124 PolarHBondContact O-N 2.91Å; Q120-A124 VanDerWaalsContact O-N 3.14Å; Q121-A124 PolarHBondContact O-N 2.92Å; M122-A124 VanDerWaalsContact C-N 3.32Å; M122-A124 PolarHBondContact O-N 3.19Å; A124-K127 PolarHBondContact O-N 3.37Å; A124-Q128 WeakPolarHBondContact O-CB 3.3Å; A124-Q128 PolarHBondContact O-N 3.07Å
125L96.9Very high97.3Very high26 Ų2667.8 Ų67.814%0.13633%0.333CS..Hα-helixtrans-65.2-40.2177.6-70.9171.7000112.2Q121 M122 Q128 K129 E207Q121-L125 HydrophobicContact CG-CD1 4.48Å; Q121-L125 WeakPolarHBondContact O-CG 3.37Å; Q121-L125 PolarHBondContact O-N 3.15Å; Q121-L125 VanDerWaalsContact O-N 3.08Å; M122-L125 PolarHBondContact O-N 3.41Å; L125-Q128 PolarHBondContact O-N 3.5Å; L125-K129 WeakPolarHBondContact O-CB 3.48Å; L125-K129 PolarHBondContact O-N 3.34Å; L125-E207 HydrophobicContact CD1-CB 3.5Å; L125-E207 VanDerWaalsContact CD1-CB 3.5Å; L125-E207 HydrophobicContact CD1-CG 3.57Å
126H97Very high97.4Very high19 Ų1967.5 Ų67.59%0.08833%0.333CS..Hα-helixtrans-59.9-46.2174.5-72.2155.8000111.9T18 Y21 M122 K129 S130 W204T18-H126 HydrophobicContact CG2-CB 4.36Å; Y21-H126 AromaticContact CD1-CE1 3.68Å; Y21-H126 AromaticContact CG-CE1 3.72Å; M122-H126 WeakPolarHBondContact O-CB 3.36Å; M122-H126 VanDerWaalsContact O-CG 3.24Å; M122-H126 PolarHBondContact O-N 2.89Å; M122-H126 PolarHBondContact O-ND1 3.18Å; H126-K129 PolarHBondContact O-N 3.06Å; H126-S130 VanDerWaalsContact O-CB 3.31Å; H126-S130 WeakPolarHBondContact O-CB 3.35Å; H126-S130 PolarHBondContact O-N 3.39Å; H126-W204 AromaticContact CD2-CD1 3.66Å; H126-W204 AromaticContact CD2-NE1 3.04Å; H126-W204 PolarHBondContact CD2-NE1 3.04Å; H126-W204 AromaticContact NE2-CD1 3.93Å; H126-W204 AromaticContact NE2-CE2 3.79Å; H126-W204 AromaticContact NE2-NE1 2.94Å; H126-W204 PolarHBondContact NE2-NE1 2.61Å
127K97Very high97.5Very high153 Ų15365.5 Ų65.567%0.66533%0.326SS*.Hα-helixtrans-63.1-44.5176.7-73.8171.1-176.4170.50111.8D123 A124 S130 S131D123-K127 WeakPolarHBondContact O-CB 3.45Å; D123-K127 VanDerWaalsContact O-CG 3.31Å; D123-K127 WeakPolarHBondContact O-CG 3.35Å; D123-K127 PolarHBondContact O-N 2.97Å; A124-K127 PolarHBondContact O-N 3.37Å; K127-S130 PolarHBondContact O-N 2.95Å; K127-S131 VanDerWaalsContact O-CB 3.25Å; K127-S131 WeakPolarHBondContact O-CB 3.12Å; K127-S131 PolarHBondContact O-N 3.34Å
128Q97.2Very high97.6Very high99 Ų9961.3 Ų61.346%0.46331%0.311SS..Hα-helixtrans-62.5-47.7178-173.4-178.49.900111.5A124 L125 S131 Q132 I200A124-Q128 WeakPolarHBondContact O-CB 3.3Å; A124-Q128 PolarHBondContact O-N 3.07Å; L125-Q128 PolarHBondContact O-N 3.5Å; Q128-S131 PolarHBondContact O-N 3.36Å; Q128-Q132 WeakPolarHBondContact O-CB 3.36Å; Q128-Q132 PolarHBondContact O-N 3Å; Q128-I200 HydrophobicContact CG-CD1 3.96Å; Q128-I200 HydrophobicContact CG-CG1 4.3Å; Q128-I200 HydrophobicContact CG-CG2 4.17Å
129K97Very high97.7Very high3 Ų360.9 Ų60.91%0.01331%0.309CS..Hα-helixtrans-58-50176.7-177.8-178.661.9159.60111.4L15 L125 H126 Q132 F133 I200 W204L15-K129 HydrophobicContact CD1-CD 3.97Å; L15-K129 HydrophobicContact CD1-CG 4.45Å; L15-K129 HydrophobicContact CG-CD 4.21Å; L15-K129 HydrophobicContact CG-CG 4.34Å; L15-K129 WeakPolarHBondContact O-CD 3.47Å; L15-K129 WeakPolarHBondContact O-CE 3.48Å; L15-K129 PolarHBondContact O-NZ 2.94Å; L125-K129 WeakPolarHBondContact O-CB 3.48Å; L125-K129 PolarHBondContact O-N 3.34Å; H126-K129 PolarHBondContact O-N 3.06Å; K129-Q132 PolarHBondContact O-N 2.82Å; K129-F133 VanDerWaalsContact O-CB 3.32Å; K129-F133 WeakPolarHBondContact O-CB 3.38Å; K129-F133 PolarHBondContact O-N 3.47Å; K129-I200 HydrophobicContact CB-CG2 4Å; K129-W204 HydrophobicContact CD-CB 4.39Å; K129-W204 HydrophobicContact CD-CD2 3.97Å; K129-W204 HydrophobicContact CD-CE3 4.23Å; K129-W204 HydrophobicContact CD-CG 4Å; K129-W204 VanDerWaalsContact NZ-CE2 3.34Å
130S97.1Very high97.7Very high55 Ų5562.5 Ų62.539%0.38532%0.316SS..Hα-helixtrans-64.1-44.8-179.2-175.50000112.4H126 K127 F133 K134H126-S130 VanDerWaalsContact O-CB 3.31Å; H126-S130 WeakPolarHBondContact O-CB 3.35Å; H126-S130 PolarHBondContact O-N 3.39Å; K127-S130 PolarHBondContact O-N 2.95Å; S130-F133 PolarHBondContact O-N 3.4Å; S130-K134 PolarHBondContact O-N 3.02Å
131S97.5Very high97.7Very high83 Ų8363.1 Ų63.158%0.5832%0.317SS*.Hα-helixtrans-61.6-47.9176.7-1780000112.2K127 Q128 F133 K134 K135K127-S131 VanDerWaalsContact O-CB 3.25Å; K127-S131 WeakPolarHBondContact O-CB 3.12Å; K127-S131 PolarHBondContact O-N 3.34Å; Q128-S131 PolarHBondContact O-N 3.36Å; S131-F133 VanDerWaalsContact C-N 3.34Å; S131-F133 PolarHBondContact O-N 2.93Å; S131-K134 PolarHBondContact O-N 2.97Å; S131-K135 PolarHBondContact O-N 3.04Å
132Q98.1Very high97.8Very high22 Ų2262.5 Ų62.510%0.10332%0.319CS..Hα-helixtrans-66.9-36178.7-175.361.433.900111.8Q128 K129 K135 T136 N193 T196 L197 I200Q128-Q132 WeakPolarHBondContact O-CB 3.36Å; Q128-Q132 PolarHBondContact O-N 3Å; K129-Q132 PolarHBondContact O-N 2.82Å; Q132-K135 PolarHBondContact O-N 3.39Å; Q132-T136 PolarHBondContact NE2-OG1 3.47Å; Q132-T136 WeakPolarHBondContact O-CB 3.45Å; Q132-T136 PolarHBondContact O-N 2.98Å; Q132-T136 PolarHBondContact O-OG1 3.4Å; Q132-N193 PolarHBondContact NE2-O 3.19Å; Q132-N193 PolarHBondContact NE2-OD1 3.43Å; Q132-T196 HydrophobicContact CG-CG2 4.33Å; Q132-L197 HydrophobicContact CB-CD1 4.26Å; Q132-L197 HydrophobicContact CG-CB 4.01Å; Q132-L197 HydrophobicContact CG-CD1 4.07Å; Q132-I200 HydrophobicContact CB-CD1 3.79Å; Q132-I200 HydrophobicContact CG-CD1 3.78Å
133F98Very high97.8Very high56 Ų5665.7 Ų65.725%0.24633%0.331CS..Hα-helixtrans-60-48.7174.7179-104.9000111.2L15 T16 K129 S130 S131 K135 T136 M137 L197L15-F133 HydrophobicContact CD2-CB 4.46Å; L15-F133 HydrophobicContact CD2-CD2 3.54Å; L15-F133 HydrophobicContact CD2-CE2 4.06Å; L15-F133 HydrophobicContact CD2-CG 4.26Å; T16-F133 HydrophobicContact CG2-CB 4.28Å; T16-F133 HydrophobicContact CG2-CD1 3.39Å; T16-F133 HydrophobicContact CG2-CE1 3.86Å; T16-F133 HydrophobicContact CG2-CG 3.95Å; K129-F133 VanDerWaalsContact O-CB 3.32Å; K129-F133 WeakPolarHBondContact O-CB 3.38Å; K129-F133 PolarHBondContact O-N 3.47Å; S130-F133 PolarHBondContact O-N 3.4Å; S131-F133 VanDerWaalsContact C-N 3.34Å; S131-F133 PolarHBondContact O-N 2.93Å; F133-K135 PolarHBondContact O-N 2.89Å; F133-T136 WeakPolarHBondContact O-CB 3.31Å; F133-T136 PolarHBondContact O-N 3.16Å; F133-T136 VanDerWaalsContact O-N 3.15Å; F133-M137 HydrophobicContact CD1-CG 4.27Å; F133-M137 HydrophobicContact CD2-CE 4.09Å; F133-M137 HydrophobicContact CD2-CG 4.43Å; F133-M137 HydrophobicContact CE1-CG 3.91Å; F133-M137 HydrophobicContact CE2-CE 3.64Å; F133-M137 HydrophobicContact CE2-CG 4.13Å; F133-M137 HydrophobicContact CE2-SD 4.23Å; F133-M137 HydrophobicContact CZ-CE 4.16Å; F133-M137 HydrophobicContact CZ-CG 3.85Å; F133-M137 HydrophobicContact CZ-SD 4.13Å; F133-M137 WeakPolarHBondContact O-CG 3.45Å; F133-M137 PolarHBondContact O-N 3.21Å; F133-L197 HydrophobicContact CB-CD1 4.14Å; F133-L197 HydrophobicContact CD2-CD2 3.95Å
134K97.9Very high97.9Very high138 Ų13865.8 Ų65.860%0.633%0.33SS*.Hα-helixtrans-56.4-50.4175.9-176.4-176.9176.9103.90111.6S130 S131 T136 M137 D138S130-K134 PolarHBondContact O-N 3.02Å; S131-K134 PolarHBondContact O-N 2.97Å; K134-T136 VanDerWaalsContact C-N 3.26Å; K134-T136 PolarHBondContact O-N 3.41Å; K134-M137 PolarHBondContact O-N 3.14Å; K134-M137 VanDerWaalsContact O-N 3.13Å; K134-D138 PolarHBondContact O-N 2.97Å
135K98.1Very high97.9Very high113 Ų11367 Ų6749%0.49133%0.326SS..Hα-helixtrans-57.3-39.2177.1-174.6-180177.6-1740112.5S131 Q132 F133 S139 N193S131-K135 PolarHBondContact O-N 3.04Å; Q132-K135 PolarHBondContact O-N 3.39Å; F133-K135 PolarHBondContact O-N 2.89Å; K135-S139 PolarHBondContact O-N 3.39Å; K135-S139 PolarHBondContact O-OG 3.05Å; K135-N193 WeakPolarHBondContact CE-OD1 3.33Å
136T98.4Very high98Very high2 Ų268.8 Ų68.81%0.01233%0.332CS..Hα-helixtrans-67.7-42.1177.7-54.30000111.4Q132 F133 K134 S139 K140 Y190 N193 V194 L197Q132-T136 PolarHBondContact NE2-OG1 3.47Å; Q132-T136 WeakPolarHBondContact O-CB 3.45Å; Q132-T136 PolarHBondContact O-N 2.98Å; Q132-T136 PolarHBondContact O-OG1 3.4Å; F133-T136 WeakPolarHBondContact O-CB 3.31Å; F133-T136 PolarHBondContact O-N 3.16Å; F133-T136 VanDerWaalsContact O-N 3.15Å; K134-T136 VanDerWaalsContact C-N 3.26Å; K134-T136 PolarHBondContact O-N 3.41Å; T136-S139 WeakPolarHBondContact CA-OG 3.5Å; T136-S139 PolarHBondContact O-OG 2.86Å; T136-K140 WeakPolarHBondContact O-CB 3.22Å; T136-K140 PolarHBondContact O-N 3.32Å; T136-Y190 HydrophobicContact CG2-CD2 4.41Å; T136-Y190 HydrophobicContact CG2-CE2 3.96Å; T136-N193 HydrophobicContact CG2-CB 4.31Å; T136-N193 PolarHBondContact OG1-O 2.91Å; T136-V194 HydrophobicContact CG2-CG2 3.76Å; T136-L197 HydrophobicContact CG2-CD2 3.98Å
137M98.2Very high98Very high58 Ų5869.4 Ų69.429%0.28634%0.338SS..Hα-helixtrans-67.8-36.5176.2-66.2-57.8117.400112.7F133 K134 K140 K141F133-M137 HydrophobicContact CD1-CG 4.27Å; F133-M137 HydrophobicContact CD2-CE 4.09Å; F133-M137 HydrophobicContact CD2-CG 4.43Å; F133-M137 HydrophobicContact CE1-CG 3.91Å; F133-M137 HydrophobicContact CE2-CE 3.64Å; F133-M137 HydrophobicContact CE2-CG 4.13Å; F133-M137 HydrophobicContact CE2-SD 4.23Å; F133-M137 HydrophobicContact CZ-CE 4.16Å; F133-M137 HydrophobicContact CZ-CG 3.85Å; F133-M137 HydrophobicContact CZ-SD 4.13Å; F133-M137 WeakPolarHBondContact O-CG 3.45Å; F133-M137 PolarHBondContact O-N 3.21Å; K134-M137 PolarHBondContact O-N 3.14Å; K134-M137 VanDerWaalsContact O-N 3.13Å; M137-K140 WeakPolarHBondContact O-CB 3.36Å; M137-K140 PolarHBondContact O-N 3.23Å; M137-K141 WeakPolarHBondContact O-CG 3.44Å; M137-K141 PolarHBondContact O-N 2.89Å; M137-K141 VanDerWaalsContact O-N 3.08Å
138D98.4Very high98.1Very high67 Ų6767.8 Ų67.836%0.35833%0.328SS..Hα-helixtrans-70.3-39.9177.3-68.2-22.1000111.8K134 K141 T142K134-D138 PolarHBondContact O-N 2.97Å; D138-K141 PolarHBondContact O-N 2.97Å; D138-T142 PolarHBondContact O-N 3.49Å; D138-T142 PolarHBondContact O-OG1 3.24Å
139S98.4Very high98.1Very high10 Ų1065.4 Ų65.47%0.0732%0.318CS..Hα-helixtrans-66.3-36.2172.153.30000112.7K135 T136 T142 Y143 N193K135-S139 PolarHBondContact O-N 3.39Å; K135-S139 PolarHBondContact O-OG 3.05Å; T136-S139 WeakPolarHBondContact CA-OG 3.5Å; T136-S139 PolarHBondContact O-OG 2.86Å; S139-T142 PolarHBondContact O-N 3.3Å; S139-Y143 WeakPolarHBondContact O-CB 3.36Å; S139-Y143 PolarHBondContact O-N 2.94Å; S139-N193 WeakPolarHBondContact CB-ND2 3.33Å; S139-N193 PolarHBondContact OG-ND2 2.93Å
140K98.6Very high98Very high78 Ų7868.6 Ų68.634%0.33933%0.332SS..Hα-helixtrans-56.5-52.9170.9-174.6-177.7175.8-176.90111.6T136 M137 T142 Y143 E144 Y190T136-K140 WeakPolarHBondContact O-CB 3.22Å; T136-K140 PolarHBondContact O-N 3.32Å; M137-K140 WeakPolarHBondContact O-CB 3.36Å; M137-K140 PolarHBondContact O-N 3.23Å; K140-T142 VanDerWaalsContact C-N 3.27Å; K140-T142 PolarHBondContact O-N 3.32Å; K140-Y143 PolarHBondContact O-N 3Å; K140-E144 WeakPolarHBondContact CE-OE1 3.5Å; K140-E144 IonicContact NZ-OE1 4Å; K140-E144 WeakPolarHBondContact O-CG 3.4Å; K140-E144 PolarHBondContact O-N 3.24Å; K140-Y190 HydrophobicContact CB-CD2 3.92Å; K140-Y190 HydrophobicContact CB-CE1 4.3Å; K140-Y190 HydrophobicContact CB-CE2 3.49Å; K140-Y190 VanDerWaalsContact CB-CE2 3.49Å; K140-Y190 HydrophobicContact CG-CE1 4.04Å; K140-Y190 HydrophobicContact CG-CE2 4.01Å
141K98.5Very high98Very high128 Ų12871.2 Ų71.256%0.55734%0.339SS*.Hα-helixtrans-59.1-40.1178.6-71.1171.9-176171.50111.9M137 D138 Q145M137-K141 WeakPolarHBondContact O-CG 3.44Å; M137-K141 PolarHBondContact O-N 2.89Å; M137-K141 VanDerWaalsContact O-N 3.08Å; D138-K141 PolarHBondContact O-N 2.97Å; K141-Q145 WeakPolarHBondContact O-CB 3.24Å; K141-Q145 PolarHBondContact O-N 3.01Å
142T98.4Very high97.9Very high74 Ų7472.5 Ų72.545%0.45434%0.335SS..Hα-helixtrans-64.5-47.6177.8-57.40000111D138 S139 K140 Q145 K146D138-T142 PolarHBondContact O-N 3.49Å; D138-T142 PolarHBondContact O-OG1 3.24Å; S139-T142 PolarHBondContact O-N 3.3Å; K140-T142 VanDerWaalsContact C-N 3.27Å; K140-T142 PolarHBondContact O-N 3.32Å; T142-Q145 PolarHBondContact O-N 3.38Å; T142-K146 WeakPolarHBondContact O-CG 3.47Å; T142-K146 PolarHBondContact O-N 3.39Å
143Y98.6Very high97.8Very high67 Ų6771.9 Ų71.926%0.26333%0.334SS..Hα-helixtrans-57.3-50.3175.3165.6-111.5000111.6S139 K140 Q145 K146 C147 A186 D187 Y190S139-Y143 WeakPolarHBondContact O-CB 3.36Å; S139-Y143 PolarHBondContact O-N 2.94Å; K140-Y143 PolarHBondContact O-N 3Å; Y143-Q145 VanDerWaalsContact C-N 3.26Å; Y143-Q145 PolarHBondContact O-N 3.44Å; Y143-K146 PolarHBondContact O-N 3.38Å; Y143-C147 WeakPolarHBondContact CE2-SG 3.5Å; Y143-C147 VanDerWaalsContact CZ-SG 3.51Å; Y143-C147 PolarHBondContact O-N 2.99Å; Y143-C147 PolarHBondContact O-SG 3.15Å; Y143-A186 HydrophobicContact CD2-CB 4.46Å; Y143-D187 VanDerWaalsContact CD2-CA 3.48Å; Y143-D187 HydrophobicContact CD2-CB 3.7Å; Y143-D187 HydrophobicContact CE2-CB 3.46Å; Y143-D187 VanDerWaalsContact CE2-CB 3.46Å; Y143-Y190 AromaticContact CD1-CD1 3.9Å; Y143-Y190 HydrophobicContact CD1-CD1 3.9Å; Y143-Y190 HydrophobicContact CD1-CE1 4.43Å; Y143-Y190 HydrophobicContact CG-CD1 4.32Å
144E98.4Very high97.5Very high75 Ų7571.9 Ų71.935%0.3534%0.336SS..Hα-helixtrans-57-39.7176.9-72.3173.1174.800112.2K140 R148K140-E144 WeakPolarHBondContact CE-OE1 3.5Å; K140-E144 IonicContact NZ-OE1 4Å; K140-E144 WeakPolarHBondContact O-CG 3.4Å; K140-E144 PolarHBondContact O-N 3.24Å; E144-R148 WeakPolarHBondContact O-CG 3.43Å; E144-R148 PolarHBondContact O-N 2.86Å
145Q98.3Very high97.3Very high82 Ų8270 Ų7038%0.38333%0.33SS..Hα-helixtrans-66.3-42.4175-173.858.14500112K141 T142 Y143 C147 R148 D149K141-Q145 WeakPolarHBondContact O-CB 3.24Å; K141-Q145 PolarHBondContact O-N 3.01Å; T142-Q145 PolarHBondContact O-N 3.38Å; Y143-Q145 VanDerWaalsContact C-N 3.26Å; Y143-Q145 PolarHBondContact O-N 3.44Å; Q145-C147 VanDerWaalsContact C-N 3.33Å; Q145-C147 PolarHBondContact O-N 3.31Å; Q145-R148 WeakPolarHBondContact O-CB 3.31Å; Q145-R148 PolarHBondContact O-N 2.88Å; Q145-D149 PolarHBondContact NE2-OD1 3.01Å; Q145-D149 VanDerWaalsContact O-CG 3.26Å; Q145-D149 PolarHBondContact O-N 3.45Å
146K98.1Very high96.9Very high63 Ų6366.6 Ų66.627%0.27432%0.317SS..Hα-helixtrans-68-31.1178.4-64.7-57.4168.9-159.40113.4T142 Y143 D149 K150 N182 A183 A186T142-K146 WeakPolarHBondContact O-CG 3.47Å; T142-K146 PolarHBondContact O-N 3.39Å; Y143-K146 PolarHBondContact O-N 3.38Å; K146-D149 IonicContact NZ-OD2 2.76Å; K146-D149 PolarHBondContact NZ-OD2 3.42Å; K146-K150 WeakPolarHBondContact O-CB 3.34Å; K146-K150 PolarHBondContact O-N 3.04Å; K146-N182 HydrophobicContact CD-CB 4.28Å; K146-A183 HydrophobicContact CB-CB 4.09Å; K146-A186 HydrophobicContact CB-CB 4.23Å; K146-A186 HydrophobicContact CG-CB 4.06Å
147C97.7Very high96.5Very high32 Ų3269.1 Ų69.122%0.21633%0.33CS..Hα-helixtrans-62.6-46168.7-70.60000111.8Y143 Q145 K150 E151Y143-C147 WeakPolarHBondContact CE2-SG 3.5Å; Y143-C147 VanDerWaalsContact CZ-SG 3.51Å; Y143-C147 PolarHBondContact O-N 2.99Å; Y143-C147 PolarHBondContact O-SG 3.15Å; Q145-C147 VanDerWaalsContact C-N 3.33Å; Q145-C147 PolarHBondContact O-N 3.31Å; C147-K150 WeakPolarHBondContact O-CB 3.49Å; C147-K150 PolarHBondContact O-N 2.87Å; C147-E151 WeakPolarHBondContact O-CG 3.48Å; C147-E151 PolarHBondContact O-N 2.84Å
148R98.1Very high96Very high119 Ų11971.5 Ų71.545%0.44934%0.343SS..Hα-helixtrans-61.6-44.6175.4-71-173.5-68.8-91.92.9112.4E144 Q145 K150 E151 E152E144-R148 WeakPolarHBondContact O-CG 3.43Å; E144-R148 PolarHBondContact O-N 2.86Å; Q145-R148 WeakPolarHBondContact O-CB 3.31Å; Q145-R148 PolarHBondContact O-N 2.88Å; R148-K150 VanDerWaalsContact C-N 3.26Å; R148-K150 PolarHBondContact O-N 3.4Å; R148-E151 PolarHBondContact O-N 3.13Å; R148-E152 PolarHBondContact O-N 3.1Å
149D97.1Very high95.6Very high48 Ų4876.9 Ų76.926%0.25736%0.358SS..Hα-helixtrans-58.7-39.6177.1-64.8-7.3000111.3Q145 K146 A153Q145-D149 PolarHBondContact NE2-OD1 3.01Å; Q145-D149 VanDerWaalsContact O-CG 3.26Å; Q145-D149 PolarHBondContact O-N 3.45Å; K146-D149 IonicContact NZ-OD2 2.76Å; K146-D149 PolarHBondContact NZ-OD2 3.42Å; D149-A153 WeakPolarHBondContact O-CB 3.3Å; D149-A153 PolarHBondContact O-N 3.39Å
150K96.6Very high95Very high70 Ų7079.1 Ų79.130%0.30437%0.37SS..Hα-helixtrans-66.5-49.4176.1-179.4-160.4169.1-169.60111.5K146 C147 R148 E152 A153 D154 A179 K180 A183K146-K150 WeakPolarHBondContact O-CB 3.34Å; K146-K150 PolarHBondContact O-N 3.04Å; C147-K150 WeakPolarHBondContact O-CB 3.49Å; C147-K150 PolarHBondContact O-N 2.87Å; R148-K150 VanDerWaalsContact C-N 3.26Å; R148-K150 PolarHBondContact O-N 3.4Å; K150-E152 VanDerWaalsContact C-N 3.26Å; K150-E152 PolarHBondContact O-N 3.07Å; K150-A153 PolarHBondContact O-N 2.95Å; K150-A153 VanDerWaalsContact O-N 3.12Å; K150-D154 PolarHBondContact O-N 3.07Å; K150-A179 HydrophobicContact CB-CB 4.29Å; K150-K180 HydrophobicContact CD-CB 4.43Å; K150-K180 HydrophobicContact CG-CB 4.43Å; K150-A183 HydrophobicContact CB-CB 4.43Å; K150-A183 HydrophobicContact CD-CB 4.45Å
151E96.5Very high94.1Very high111 Ų11179.7 Ų79.752%0.51938%0.38SS..Hα-helixtrans-57.2-41.4177.8-74.8172.4-169.100111.6C147 R148 D154 Q155C147-E151 WeakPolarHBondContact O-CG 3.48Å; C147-E151 PolarHBondContact O-N 2.84Å; R148-E151 PolarHBondContact O-N 3.13Å; E151-D154 PolarHBondContact O-N 3.27Å; E151-Q155 WeakPolarHBondContact O-CB 3.4Å; E151-Q155 VanDerWaalsContact O-CG 3.24Å; E151-Q155 WeakPolarHBondContact O-CG 3.4Å; E151-Q155 PolarHBondContact O-N 3Å
152E96.4Very high93.2Very high110 Ų11080.9 Ų80.951%0.51439%0.393SS..Hα-helixtrans-65.2-41.9175.9-166.7-165.8147.300112.1R148 K150 Q155 N156R148-E152 PolarHBondContact O-N 3.1Å; K150-E152 VanDerWaalsContact C-N 3.26Å; K150-E152 PolarHBondContact O-N 3.07Å; E152-Q155 PolarHBondContact O-N 3.34Å; E152-N156 WeakPolarHBondContact O-CB 3.36Å; E152-N156 PolarHBondContact O-N 3.03Å; E152-N156 PolarHBondContact O-ND2 3.48Å
153A93.9Very high92.3Very high9 Ų979.8 Ų79.87%0.07439%0.386CS..Hα-helixtrans-64.5-42.7177.100000112D149 K150 N156 M157 A176 A179D149-A153 WeakPolarHBondContact O-CB 3.3Å; D149-A153 PolarHBondContact O-N 3.39Å; K150-A153 PolarHBondContact O-N 2.95Å; K150-A153 VanDerWaalsContact O-N 3.12Å; A153-N156 PolarHBondContact O-N 3.48Å; A153-M157 PolarHBondContact O-N 3.24Å; A153-A176 HydrophobicContact CB-CB 4.27Å; A153-A179 HydrophobicContact CB-CB 4.02Å
154D93Very high91.4Very high55 Ų5584.2 Ų84.229%0.29441%0.414SS..Hα-helixtrans-64.9-42.7176.6-72-19.1000111.2K150 E151 M157 N158K150-D154 PolarHBondContact O-N 3.07Å; E151-D154 PolarHBondContact O-N 3.27Å; D154-M157 PolarHBondContact O-N 3.46Å; D154-N158 WeakPolarHBondContact O-CB 3.46Å; D154-N158 PolarHBondContact O-N 2.96Å
155Q93.3Very high90.8Very high98 Ų9884.7 Ų84.746%0.45842%0.419SS..Hα-helixtrans-63-42.8174.5-75176.925.900112.4E151 E152 M157 N158 R159E151-Q155 WeakPolarHBondContact O-CB 3.4Å; E151-Q155 VanDerWaalsContact O-CG 3.24Å; E151-Q155 WeakPolarHBondContact O-CG 3.4Å; E151-Q155 PolarHBondContact O-N 3Å; E152-Q155 PolarHBondContact O-N 3.34Å; Q155-M157 VanDerWaalsContact C-N 3.33Å; Q155-N158 PolarHBondContact O-N 3.39Å; Q155-R159 WeakPolarHBondContact O-CG 3.35Å; Q155-R159 PolarHBondContact O-N 3.35Å
156N90.9Very high90.1Very high43 Ų4385.4 Ų85.423%0.2343%0.429CS..Hα-helixtrans-65.7-36.5177.5-79.9-29.9000112E152 A153 N160E152-N156 WeakPolarHBondContact O-CB 3.36Å; E152-N156 PolarHBondContact O-N 3.03Å; E152-N156 PolarHBondContact O-ND2 3.48Å; A153-N156 PolarHBondContact O-N 3.48Å; N156-N160 PolarHBondContact O-N 2.95Å; N156-N160 PolarHBondContact O-ND2 3Å
157M89.1Confident89.5Confident55 Ų5590.5 Ų90.527%0.27145%0.451SS..Hα-helixtrans-64.4-47.7172.2-169.9163.379.800110.9A153 D154 Q155 R159 N160 T161 Q173 A176A153-M157 PolarHBondContact O-N 3.24Å; D154-M157 PolarHBondContact O-N 3.46Å; Q155-M157 VanDerWaalsContact C-N 3.33Å; M157-R159 PolarHBondContact O-N 3.28Å; M157-N160 CarbonylContact O-C 3.58Å; M157-N160 PolarHBondContact O-N 3.33Å; M157-N160 VanDerWaalsContact O-N 3.09Å; M157-T161 PolarHBondContact O-N 2.97Å; M157-Q173 VanDerWaalsContact SD-CA 3.56Å; M157-Q173 HydrophobicContact SD-CB 3.94Å; M157-Q173 HydrophobicContact SD-CG 4.1Å; M157-A176 HydrophobicContact CE-CB 4.41Å; M157-A176 HydrophobicContact SD-CB 4.13Å
158N87.8Confident88.9Confident107 Ų10792 Ų9257%0.57246%0.456SS*.Hα-helixtrans-60.2-40.6178.5-77.4-11.3000112.9D154 Q155 N160 T161D154-N158 WeakPolarHBondContact O-CB 3.46Å; D154-N158 PolarHBondContact O-N 2.96Å; Q155-N158 PolarHBondContact O-N 3.39Å; N158-N160 PolarHBondContact O-N 3.32Å; N158-T161 PolarHBondContact O-N 3.46Å; N158-T161 PolarHBondContact O-OG1 2.98Å
159R89.4Confident88.3Confident180 Ų18088.8 Ų88.868%0.67945%0.45SS*.Hα-helixtrans-64.2-24.5176.4-74.1173.8179.31661.7114Q155 M157Q155-R159 WeakPolarHBondContact O-CG 3.35Å; Q155-R159 PolarHBondContact O-N 3.35Å; M157-R159 PolarHBondContact O-N 3.28Å
160N85.8Confident87.9Confident57 Ų5792.3 Ų92.331%0.30547%0.465SS..THydrogen-bonded Turntrans-106.211.1-177.1-71-85.4000113.2N156 M157 N158 N162 T163 L172N156-N160 PolarHBondContact O-N 2.95Å; N156-N160 PolarHBondContact O-ND2 3Å; M157-N160 CarbonylContact O-C 3.58Å; M157-N160 PolarHBondContact O-N 3.33Å; M157-N160 VanDerWaalsContact O-N 3.09Å; N158-N160 PolarHBondContact O-N 3.32Å; N160-N162 PolarHBondContact O-N 2.92Å; N160-T163 HydrophobicContact CB-CG2 4.47Å; N160-T163 WeakPolarHBondContact O-CB 3.45Å; N160-T163 WeakPolarHBondContact O-CG2 3.44Å; N160-T163 PolarHBondContact O-N 3.17Å; N160-T163 VanDerWaalsContact O-N 3.15Å; N160-L172 HydrophobicContact CB-CD1 3.61Å
161T79.7Confident87.6Confident91 Ų9196.4 Ų96.456%0.55848%0.483SS*.THydrogen-bonded Turntrans-61.3-28.6-178.436.10000114.1M157 N158M157-T161 PolarHBondContact O-N 2.97Å; N158-T161 PolarHBondContact O-N 3.46Å; N158-T161 PolarHBondContact O-OG1 2.98Å
162N80.2Confident87.3Confident153 Ų15392.5 Ų92.582%0.81847%0.465SS*.THydrogen-bonded Turntrans-9210.7179.6-64.1-26.3000113.8N160N160-N162 PolarHBondContact O-N 2.92Å
163T80.3Confident87Confident51 Ų5192.8 Ų92.831%0.31347%0.467SS..  trans-82.6138.4179.5-157.90000111.6N160 N165 V169N160-T163 HydrophobicContact CB-CG2 4.47Å; N160-T163 WeakPolarHBondContact O-CB 3.45Å; N160-T163 WeakPolarHBondContact O-CG2 3.44Å; N160-T163 PolarHBondContact O-N 3.17Å; N160-T163 VanDerWaalsContact O-N 3.15Å; T163-N165 HydrophobicContact CG2-CB 4.42Å; T163-N165 PolarHBondContact O-N 3.42Å; T163-V169 HydrophobicContact CG2-CG2 3.5Å
164N79.1Confident86.9Confident160 Ų16096.3 Ų96.386%0.85649%0.491SS*.  trans-84.13.3177.2-65.1-20.1000113T166N164-T166 PolarHBondContact O-N 3.37Å
165N86.4Confident86.9Confident84 Ų8499.7 Ų99.745%0.44950%0.503SS..  trans-88.390.4179.8-172.7-20.1000111.2T163 K167 L168 V169T163-N165 HydrophobicContact CG2-CB 4.42Å; T163-N165 PolarHBondContact O-N 3.42Å; N165-K167 VanDerWaalsContact C-N 3.29Å; N165-K167 PolarHBondContact O-N 3.43Å; N165-K167 PolarHBondContact OD1-N 3.15Å; N165-L168 HydrophobicContact CB-CB 4.01Å; N165-L168 WeakPolarHBondContact O-CB 3.5Å; N165-L168 PolarHBondContact O-N 3.24Å; N165-L168 PolarHBondContact OD1-N 3.29Å; N165-V169 PolarHBondContact O-N 2.98Å; N165-V169 VanDerWaalsContact O-N 3.13Å
166T81.9Confident86.9Confident98 Ų9895.2 Ų95.260%0.60148%0.483SS*.Hα-helixtrans-55.1-40.3-177.2-35.10000113.2N164 L168 V169 E170N164-T166 PolarHBondContact O-N 3.37Å; T166-L168 VanDerWaalsContact C-N 3.31Å; T166-L168 PolarHBondContact O-N 2.97Å; T166-V169 PolarHBondContact O-N 2.9Å; T166-E170 WeakPolarHBondContact O-CG 3.46Å; T166-E170 PolarHBondContact O-N 3.4Å
167K85.9Confident87.1Confident170 Ų17097.9 Ų97.974%0.73949%0.494SS*.Hα-helixtrans-64.6-34.7178.4-70.4-175178.7179.40112.7N165 K171N165-K167 VanDerWaalsContact C-N 3.29Å; N165-K167 PolarHBondContact O-N 3.43Å; N165-K167 PolarHBondContact OD1-N 3.15Å; K167-K171 WeakPolarHBondContact O-CB 3.43Å; K167-K171 PolarHBondContact O-N 3.29Å
168L86.2Confident87.5Confident62 Ų62100 Ų10033%0.32550%0.503SS..Hα-helixtrans-71.4-41.9176.7179.460.9000111N165 T166 K171 L172N165-L168 HydrophobicContact CB-CB 4.01Å; N165-L168 WeakPolarHBondContact O-CB 3.5Å; N165-L168 PolarHBondContact O-N 3.24Å; N165-L168 PolarHBondContact OD1-N 3.29Å; T166-L168 VanDerWaalsContact C-N 3.31Å; T166-L168 PolarHBondContact O-N 2.97Å; L168-K171 PolarHBondContact O-N 3.17Å; L168-L172 HydrophobicContact CD1-CD1 4.26Å; L168-L172 HydrophobicContact CD1-CG 4.26Å; L168-L172 HydrophobicContact CG-CD1 4.12Å; L168-L172 WeakPolarHBondContact O-CG 3.45Å; L168-L172 PolarHBondContact O-N 3.28Å
169V85Confident87.9Confident52 Ų5295.5 Ų95.532%0.31548%0.481SS..Hα-helixtrans-60.3-49.6176.8176.20000110.9T163 N165 T166 K171 L172 Q173T163-V169 HydrophobicContact CG2-CG2 3.5Å; N165-V169 PolarHBondContact O-N 2.98Å; N165-V169 VanDerWaalsContact O-N 3.13Å; T166-V169 PolarHBondContact O-N 2.9Å; V169-K171 VanDerWaalsContact C-N 3.32Å; V169-K171 PolarHBondContact O-N 3.47Å; V169-L172 PolarHBondContact O-N 2.98Å; V169-Q173 WeakPolarHBondContact O-CB 3.42Å; V169-Q173 PolarHBondContact O-N 2.97Å
170E87.8Confident88.3Confident122 Ų12290.7 Ų90.757%0.5747%0.465SS*.Hα-helixtrans-58.3-42.4177.3-74.9176173.500112.3T166 Q173 S174T166-E170 WeakPolarHBondContact O-CG 3.46Å; T166-E170 PolarHBondContact O-N 3.4Å; E170-Q173 PolarHBondContact O-N 3.5Å; E170-S174 WeakPolarHBondContact O-CB 3.31Å; E170-S174 PolarHBondContact O-N 3.35Å
171K90.3Very high88.8Confident157 Ų15791.8 Ų91.868%0.68347%0.47SS*.Hα-helixtrans-64.3-43.3177.7-175.4179.5179.8-179.80112.2K167 L168 V169 K175K167-K171 WeakPolarHBondContact O-CB 3.43Å; K167-K171 PolarHBondContact O-N 3.29Å; L168-K171 PolarHBondContact O-N 3.17Å; V169-K171 VanDerWaalsContact C-N 3.32Å; V169-K171 PolarHBondContact O-N 3.47Å; K171-K175 WeakPolarHBondContact O-CB 3.29Å; K171-K175 PolarHBondContact O-N 3.11Å
172L89.9Confident89.7Confident28 Ų2890.6 Ų90.615%0.14746%0.46CS..Hα-helixtrans-66.8-40.1178-71.2174.1000111.3N160 L168 V169 K175 A176N160-L172 HydrophobicContact CB-CD1 3.61Å; L168-L172 HydrophobicContact CD1-CD1 4.26Å; L168-L172 HydrophobicContact CD1-CG 4.26Å; L168-L172 HydrophobicContact CG-CD1 4.12Å; L168-L172 WeakPolarHBondContact O-CG 3.45Å; L168-L172 PolarHBondContact O-N 3.28Å; V169-L172 PolarHBondContact O-N 2.98Å; L172-K175 PolarHBondContact O-N 3.23Å; L172-A176 WeakPolarHBondContact O-CB 3.41Å; L172-A176 PolarHBondContact O-N 3.23Å
173Q90.5Very high90.5Very high116 Ų11683.7 Ų83.754%0.54242%0.424SS..Hα-helixtrans-63.9-43.7176-166.6175.9900112.1M157 V169 E170 K175 A176 Q177M157-Q173 VanDerWaalsContact SD-CA 3.56Å; M157-Q173 HydrophobicContact SD-CB 3.94Å; M157-Q173 HydrophobicContact SD-CG 4.1Å; V169-Q173 WeakPolarHBondContact O-CB 3.42Å; V169-Q173 PolarHBondContact O-N 2.97Å; E170-Q173 PolarHBondContact O-N 3.5Å; Q173-K175 VanDerWaalsContact C-N 3.35Å; Q173-K175 PolarHBondContact O-N 2.97Å; Q173-A176 PolarHBondContact O-N 3.45Å; Q173-Q177 WeakPolarHBondContact O-CB 3.34Å; Q173-Q177 PolarHBondContact O-N 3.09Å
174S92.3Very high91.4Very high83 Ų8385.8 Ų85.858%0.5843%0.431SS*.Hα-helixtrans-60.6-42.9173.1178.70000111.9E170 Q177 Q178E170-S174 WeakPolarHBondContact O-CB 3.31Å; E170-S174 PolarHBondContact O-N 3.35Å; S174-Q177 PolarHBondContact O-N 2.93Å; S174-Q178 WeakPolarHBondContact O-CB 3.44Å; S174-Q178 PolarHBondContact O-N 2.94Å
175K93.8Very high92.3Very high126 Ų12682.6 Ų82.655%0.54841%0.411SS..Hα-helixtrans-64.3-43.7177.3-170.7-179.9178.9-172.10112.2K171 L172 Q173 Q178 A179K171-K175 WeakPolarHBondContact O-CB 3.29Å; K171-K175 PolarHBondContact O-N 3.11Å; L172-K175 PolarHBondContact O-N 3.23Å; Q173-K175 VanDerWaalsContact C-N 3.35Å; Q173-K175 PolarHBondContact O-N 2.97Å; K175-Q178 PolarHBondContact O-N 2.97Å; K175-A179 WeakPolarHBondContact O-CB 3.32Å; K175-A179 PolarHBondContact O-N 2.98Å
176A93.6Very high92.8Very high4 Ų479.1 Ų79.13%0.03339%0.394CS..Hα-helixtrans-63.3-44.7176.700000111.5A153 M157 L172 Q173 Q178 A179 K180A153-A176 HydrophobicContact CB-CB 4.27Å; M157-A176 HydrophobicContact CE-CB 4.41Å; M157-A176 HydrophobicContact SD-CB 4.13Å; L172-A176 WeakPolarHBondContact O-CB 3.41Å; L172-A176 PolarHBondContact O-N 3.23Å; Q173-A176 PolarHBondContact O-N 3.45Å; A176-Q178 PolarHBondContact O-N 2.68Å; A176-A179 PolarHBondContact O-N 2.98Å; A176-K180 WeakPolarHBondContact O-CB 3.21Å; A176-K180 PolarHBondContact O-N 3.42Å
177Q95.1Very high93.6Very high99 Ų9976.7 Ų76.746%0.46338%0.377SS..Hα-helixtrans-61.9-41.9176-175.160.32400112.1Q173 S174 K180 L181Q173-Q177 WeakPolarHBondContact O-CB 3.34Å; Q173-Q177 PolarHBondContact O-N 3.09Å; S174-Q177 PolarHBondContact O-N 2.93Å; Q177-K180 WeakPolarHBondContact O-CB 3.24Å; Q177-K180 PolarHBondContact O-N 2.92Å; Q177-L181 WeakPolarHBondContact O-CG 3.4Å; Q177-L181 PolarHBondContact O-N 3.44Å
178Q96.4Very high94.2Very high99 Ų9976.1 Ų76.146%0.46337%0.37SS..Hα-helixtrans-66.1-41.3176.4-172.562.855.100112.2S174 K175 A176 K180 L181 N182S174-Q178 WeakPolarHBondContact O-CB 3.44Å; S174-Q178 PolarHBondContact O-N 2.94Å; K175-Q178 PolarHBondContact O-N 2.97Å; A176-Q178 PolarHBondContact O-N 2.68Å; Q178-K180 VanDerWaalsContact C-N 3.31Å; Q178-K180 PolarHBondContact O-N 3.32Å; Q178-L181 PolarHBondContact O-N 3.22Å; Q178-N182 PolarHBondContact NE2-OD1 3.46Å; Q178-N182 WeakPolarHBondContact O-CB 3.41Å; Q178-N182 PolarHBondContact O-N 3.39Å; Q178-N182 PolarHBondContact O-ND2 2.92Å; Q178-N182 PolarHBondContact O-OD1 3.27Å
179A96.5Very high94.8Very high13 Ų1376.8 Ų76.811%0.10737%0.374CS..Hα-helixtrans-62.8-39.7176.400000111.4K150 A153 K175 A176 N182 A183K150-A179 HydrophobicContact CB-CB 4.29Å; A153-A179 HydrophobicContact CB-CB 4.02Å; K175-A179 WeakPolarHBondContact O-CB 3.32Å; K175-A179 PolarHBondContact O-N 2.98Å; A176-A179 PolarHBondContact O-N 2.98Å; A179-N182 PolarHBondContact O-N 3.48Å; A179-A183 WeakPolarHBondContact O-CB 3.42Å; A179-A183 PolarHBondContact O-N 3.37Å
180K96.9Very high95.5Very high80 Ų8076.6 Ų76.635%0.34837%0.368SS..Hα-helixtrans-59.4-51.8172.6178.6-178.8170.9-178.10112K150 A176 Q177 Q178 N182 A183 E184K150-K180 HydrophobicContact CD-CB 4.43Å; K150-K180 HydrophobicContact CG-CB 4.43Å; A176-K180 WeakPolarHBondContact O-CB 3.21Å; A176-K180 PolarHBondContact O-N 3.42Å; Q177-K180 WeakPolarHBondContact O-CB 3.24Å; Q177-K180 PolarHBondContact O-N 2.92Å; Q178-K180 VanDerWaalsContact C-N 3.31Å; Q178-K180 PolarHBondContact O-N 3.32Å; K180-N182 VanDerWaalsContact C-N 3.31Å; K180-N182 PolarHBondContact O-N 3.21Å; K180-A183 PolarHBondContact O-N 3.37Å; K180-A183 VanDerWaalsContact O-N 3.16Å; K180-E184 WeakPolarHBondContact CE-OE1 3.48Å; K180-E184 IonicContact NZ-OE1 3.98Å; K180-E184 WeakPolarHBondContact O-CG 3.09Å; K180-E184 PolarHBondContact O-N 3.01Å
181L97.6Very high96Very high79 Ų7975.7 Ų75.741%0.41436%0.363SS..Hα-helixtrans-59.9-40.8178.6-70.2172.9000112.1Q177 Q178 A183 E184 E185Q177-L181 WeakPolarHBondContact O-CG 3.4Å; Q177-L181 PolarHBondContact O-N 3.44Å; Q178-L181 PolarHBondContact O-N 3.22Å; L181-A183 VanDerWaalsContact C-N 3.34Å; L181-A183 PolarHBondContact O-N 3.2Å; L181-E184 PolarHBondContact O-N 3.47Å; L181-E185 PolarHBondContact O-N 2.95Å
182N97.6Very high96.4Very high66 Ų6674 Ų7435%0.35336%0.358SS..Hα-helixtrans-65.4-36.8177.2-68.9-13.8000112.4K146 Q178 A179 K180 A186K146-N182 HydrophobicContact CD-CB 4.28Å; Q178-N182 PolarHBondContact NE2-OD1 3.46Å; Q178-N182 WeakPolarHBondContact O-CB 3.41Å; Q178-N182 PolarHBondContact O-N 3.39Å; Q178-N182 PolarHBondContact O-ND2 2.92Å; Q178-N182 PolarHBondContact O-OD1 3.27Å; A179-N182 PolarHBondContact O-N 3.48Å; K180-N182 VanDerWaalsContact C-N 3.31Å; K180-N182 PolarHBondContact O-N 3.21Å; N182-A186 WeakPolarHBondContact O-CB 3.42Å; N182-A186 PolarHBondContact O-N 2.95Å
183A98.1Very high96.8Very high8 Ų872.9 Ų72.97%0.06635%0.352CS..Hα-helixtrans-68.9-42.6175.500000111.8K146 K150 A179 K180 L181 E185 A186 D187K146-A183 HydrophobicContact CB-CB 4.09Å; K150-A183 HydrophobicContact CB-CB 4.43Å; K150-A183 HydrophobicContact CD-CB 4.45Å; A179-A183 WeakPolarHBondContact O-CB 3.42Å; A179-A183 PolarHBondContact O-N 3.37Å; K180-A183 PolarHBondContact O-N 3.37Å; K180-A183 VanDerWaalsContact O-N 3.16Å; L181-A183 VanDerWaalsContact C-N 3.34Å; L181-A183 PolarHBondContact O-N 3.2Å; A183-E185 VanDerWaalsContact C-N 3.35Å; A183-E185 PolarHBondContact O-N 3.21Å; A183-A186 PolarHBondContact O-N 2.66Å; A183-D187 WeakPolarHBondContact O-CB 3.47Å; A183-D187 PolarHBondContact O-N 2.64Å
184E98.1Very high97.2Very high95 Ų9570.4 Ų70.444%0.44435%0.345SS..Hα-helixtrans-62.1-40.3175.7-71.9170.117500111.8K180 L181 D187 R188K180-E184 WeakPolarHBondContact CE-OE1 3.48Å; K180-E184 IonicContact NZ-OE1 3.98Å; K180-E184 WeakPolarHBondContact O-CG 3.09Å; K180-E184 PolarHBondContact O-N 3.01Å; L181-E184 PolarHBondContact O-N 3.47Å; E184-D187 PolarHBondContact O-N 2.94Å; E184-R188 PolarHBondContact O-N 2.72Å
185E98.1Very high97.5Very high93 Ų9370.6 Ų70.644%0.43534%0.342SS..Hα-helixtrans-68.7-41176.1-179.558.6-172.600112.5L181 A183 D187 R188 L189L181-E185 PolarHBondContact O-N 2.95Å; A183-E185 VanDerWaalsContact C-N 3.35Å; A183-E185 PolarHBondContact O-N 3.21Å; E185-D187 VanDerWaalsContact C-N 3.33Å; E185-R188 PolarHBondContact O-N 2.96Å; E185-R188 IonicContact OE1-CZ 2.64Å; E185-R188 IonicContact OE1-NE 3.88Å; E185-R188 IonicContact OE1-NH2 2.75Å; E185-R188 PolarHBondContact OE1-NH2 3.34Å; E185-R188 IonicContact OE2-CZ 2.66Å; E185-R188 IonicContact OE2-NE 2.9Å; E185-R188 PolarHBondContact OE2-NE 3.11Å; E185-R188 IonicContact OE2-NH2 3.21Å; E185-R188 PolarHBondContact OE2-NH2 3.5Å; E185-L189 PolarHBondContact O-N 3.1Å
186A98.3Very high97.7Very high11 Ų1167 Ų679%0.09133%0.331CS..Hα-helixtrans-65.2-37175.600000112.2Y143 K146 N182 A183 L189 Y190Y143-A186 HydrophobicContact CD2-CB 4.46Å; K146-A186 HydrophobicContact CB-CB 4.23Å; K146-A186 HydrophobicContact CG-CB 4.06Å; N182-A186 WeakPolarHBondContact O-CB 3.42Å; N182-A186 PolarHBondContact O-N 2.95Å; A183-A186 PolarHBondContact O-N 2.66Å; A186-L189 PolarHBondContact O-N 2.76Å; A186-Y190 WeakPolarHBondContact O-CB 3.48Å; A186-Y190 PolarHBondContact O-N 2.75Å
187D98.5Very high97.9Very high47 Ų4767.8 Ų67.825%0.25133%0.334SS..Hα-helixtrans-61.2-51.4173.9-173.830.6000110.8Y143 A183 E184 E185 L189 Y190 Q191Y143-D187 VanDerWaalsContact CD2-CA 3.48Å; Y143-D187 HydrophobicContact CD2-CB 3.7Å; Y143-D187 HydrophobicContact CE2-CB 3.46Å; Y143-D187 VanDerWaalsContact CE2-CB 3.46Å; A183-D187 WeakPolarHBondContact O-CB 3.47Å; A183-D187 PolarHBondContact O-N 2.64Å; E184-D187 PolarHBondContact O-N 2.94Å; E185-D187 VanDerWaalsContact C-N 3.33Å; D187-L189 VanDerWaalsContact C-N 3.31Å; D187-L189 PolarHBondContact O-N 3.27Å; D187-Y190 PolarHBondContact O-N 3.04Å; D187-Y190 VanDerWaalsContact O-N 3.13Å; D187-Q191 WeakPolarHBondContact O-CB 3.38Å; D187-Q191 WeakPolarHBondContact O-CG 3.36Å; D187-Q191 PolarHBondContact O-N 3.41Å; D187-Q191 PolarHBondContact OD1-NE2 3.14Å; D187-Q191 PolarHBondContact OD2-NE2 3.17Å
188R98.4Very high98Very high158 Ų15864.3 Ų64.360%0.59633%0.326SS*.Hα-helixtrans-56.6-44.4178.2-17217869.4134.84.8111.9E184 E185 Q192E184-R188 PolarHBondContact O-N 2.72Å; E185-R188 PolarHBondContact O-N 2.96Å; E185-R188 IonicContact OE1-CZ 2.64Å; E185-R188 IonicContact OE1-NE 3.88Å; E185-R188 IonicContact OE1-NH2 2.75Å; E185-R188 PolarHBondContact OE1-NH2 3.34Å; E185-R188 IonicContact OE2-CZ 2.66Å; E185-R188 IonicContact OE2-NE 2.9Å; E185-R188 PolarHBondContact OE2-NE 3.11Å; E185-R188 IonicContact OE2-NH2 3.21Å; E185-R188 PolarHBondContact OE2-NH2 3.5Å; R188-Q192 WeakPolarHBondContact O-CB 3.43Å; R188-Q192 PolarHBondContact O-N 3.42Å
189L98.4Very high98.1Very high76 Ų7666.1 Ų66.140%0.39833%0.332SS..Hα-helixtrans-66.2-42.5177.2-179.562.5000112.1E185 A186 D187 Q192 N193E185-L189 PolarHBondContact O-N 3.1Å; A186-L189 PolarHBondContact O-N 2.76Å; D187-L189 VanDerWaalsContact C-N 3.31Å; D187-L189 PolarHBondContact O-N 3.27Å; L189-Q192 PolarHBondContact O-N 3.38Å; L189-N193 PolarHBondContact O-N 2.94Å; L189-N193 PolarHBondContact O-ND2 3.24Å
190Y98.7Very high98.2Very high49 Ų4966.2 Ų66.219%0.19233%0.33CS..Hα-helixtrans-63.2-48177.4175.3-136.4000111.1T136 K140 Y143 A186 D187 Q192 N193 V194T136-Y190 HydrophobicContact CG2-CD2 4.41Å; T136-Y190 HydrophobicContact CG2-CE2 3.96Å; K140-Y190 HydrophobicContact CB-CD2 3.92Å; K140-Y190 HydrophobicContact CB-CE1 4.3Å; K140-Y190 HydrophobicContact CB-CE2 3.49Å; K140-Y190 VanDerWaalsContact CB-CE2 3.49Å; K140-Y190 HydrophobicContact CG-CE1 4.04Å; K140-Y190 HydrophobicContact CG-CE2 4.01Å; Y143-Y190 AromaticContact CD1-CD1 3.9Å; Y143-Y190 HydrophobicContact CD1-CD1 3.9Å; Y143-Y190 HydrophobicContact CD1-CE1 4.43Å; Y143-Y190 HydrophobicContact CG-CD1 4.32Å; A186-Y190 WeakPolarHBondContact O-CB 3.48Å; A186-Y190 PolarHBondContact O-N 2.75Å; D187-Y190 PolarHBondContact O-N 3.04Å; D187-Y190 VanDerWaalsContact O-N 3.13Å; Y190-Q192 VanDerWaalsContact C-N 3.32Å; Y190-Q192 PolarHBondContact O-N 2.9Å; Y190-N193 PolarHBondContact O-N 3.31Å; Y190-N193 VanDerWaalsContact O-N 3.11Å; Y190-V194 HydrophobicContact CD2-CG2 3.79Å; Y190-V194 HydrophobicContact CE1-CG2 4.44Å; Y190-V194 HydrophobicContact CE2-CG2 3.28Å; Y190-V194 WeakPolarHBondContact O-CG2 3.47Å; Y190-V194 PolarHBondContact O-N 2.99Å
191Q98.4Very high98.2Very high102 Ų10267.8 Ų67.848%0.47733%0.334SS..Hα-helixtrans-56.2-45175.1-70.317717.800111.9D187 N193 V194 V195D187-Q191 WeakPolarHBondContact O-CB 3.38Å; D187-Q191 WeakPolarHBondContact O-CG 3.36Å; D187-Q191 PolarHBondContact O-N 3.41Å; D187-Q191 PolarHBondContact OD1-NE2 3.14Å; D187-Q191 PolarHBondContact OD2-NE2 3.17Å; Q191-N193 VanDerWaalsContact C-N 3.35Å; Q191-N193 PolarHBondContact O-N 3.26Å; Q191-V194 PolarHBondContact O-N 2.84Å; Q191-V195 WeakPolarHBondContact O-CG2 3.48Å; Q191-V195 PolarHBondContact O-N 3.05Å
192Q98.5Very high98.2Very high123 Ų12367.1 Ų67.158%0.57533%0.331SS*.Hα-helixtrans-60.3-43.2176.1-174-174.643.400112.2R188 L189 Y190 V195 T196R188-Q192 WeakPolarHBondContact O-CB 3.43Å; R188-Q192 PolarHBondContact O-N 3.42Å; L189-Q192 PolarHBondContact O-N 3.38Å; Y190-Q192 VanDerWaalsContact C-N 3.32Å; Y190-Q192 PolarHBondContact O-N 2.9Å; Q192-V195 PolarHBondContact O-N 3.06Å; Q192-T196 WeakPolarHBondContact O-CB 3.44Å; Q192-T196 PolarHBondContact O-N 3.02Å; Q192-T196 PolarHBondContact O-OG1 3.45Å
193N98.5Very high98.2Very high4 Ų468 Ų682%0.02134%0.336CS..Hα-helixtrans-67.4-37178.1-75.7-35.4000112.4Q132 K135 T136 S139 L189 Y190 Q191 T196 L197Q132-N193 PolarHBondContact NE2-O 3.19Å; Q132-N193 PolarHBondContact NE2-OD1 3.43Å; K135-N193 WeakPolarHBondContact CE-OD1 3.33Å; T136-N193 HydrophobicContact CG2-CB 4.31Å; T136-N193 PolarHBondContact OG1-O 2.91Å; S139-N193 WeakPolarHBondContact CB-ND2 3.33Å; S139-N193 PolarHBondContact OG-ND2 2.93Å; L189-N193 PolarHBondContact O-N 2.94Å; L189-N193 PolarHBondContact O-ND2 3.24Å; Y190-N193 PolarHBondContact O-N 3.31Å; Y190-N193 VanDerWaalsContact O-N 3.11Å; Q191-N193 VanDerWaalsContact C-N 3.35Å; Q191-N193 PolarHBondContact O-N 3.26Å; N193-T196 PolarHBondContact O-N 3.19Å; N193-L197 VanDerWaalsContact O-CB 3.32Å; N193-L197 WeakPolarHBondContact O-CB 3.5Å; N193-L197 PolarHBondContact O-N 3.34Å
194V98.6Very high98.1Very high63 Ų6368.5 Ų68.538%0.38234%0.336SS..Hα-helixtrans-62.8-46.7174170.80000111.1T136 Y190 Q191 T196 L197 G198T136-V194 HydrophobicContact CG2-CG2 3.76Å; Y190-V194 HydrophobicContact CD2-CG2 3.79Å; Y190-V194 HydrophobicContact CE1-CG2 4.44Å; Y190-V194 HydrophobicContact CE2-CG2 3.28Å; Y190-V194 WeakPolarHBondContact O-CG2 3.47Å; Y190-V194 PolarHBondContact O-N 2.99Å; Q191-V194 PolarHBondContact O-N 2.84Å; V194-T196 VanDerWaalsContact C-N 3.32Å; V194-T196 PolarHBondContact O-N 3.34Å; V194-L197 PolarHBondContact O-N 3.1Å; V194-G198 PolarHBondContact O-N 3.26Å
195V98.5Very high98.1Very high87 Ų8766.4 Ų66.453%0.52733%0.328SS..Hα-helixtrans-61.7-42.5176.9171.50000111Q191 Q192 G198 K199Q191-V195 WeakPolarHBondContact O-CG2 3.48Å; Q191-V195 PolarHBondContact O-N 3.05Å; Q192-V195 PolarHBondContact O-N 3.06Å; V195-G198 PolarHBondContact O-N 2.99Å; V195-K199 PolarHBondContact O-N 2.7Å
196T98.4Very high98Very high52 Ų5269 Ų6932%0.31934%0.337SS..Hα-helixtrans-65.5-42.4178.5-560000111.6Q132 Q192 N193 V194 G198 K199 I200Q132-T196 HydrophobicContact CG-CG2 4.33Å; Q192-T196 WeakPolarHBondContact O-CB 3.44Å; Q192-T196 PolarHBondContact O-N 3.02Å; Q192-T196 PolarHBondContact O-OG1 3.45Å; N193-T196 PolarHBondContact O-N 3.19Å; V194-T196 VanDerWaalsContact C-N 3.32Å; V194-T196 PolarHBondContact O-N 3.34Å; T196-G198 VanDerWaalsContact C-N 3.34Å; T196-G198 PolarHBondContact O-N 3.4Å; T196-K199 PolarHBondContact O-N 3.12Å; T196-I200 HydrophobicContact CG2-CD1 4.06Å; T196-I200 PolarHBondContact O-N 3.44Å; T196-I200 VanDerWaalsContact O-N 3.12Å
197L98.4Very high98Very high19 Ų1970.5 Ų70.510%0.09934%0.343CS..Hα-helixtrans-61.8-41.6174.917963000111.8L15 Q132 F133 T136 N193 V194 K199 I200 R201L15-L197 HydrophobicContact CD2-CD1 4.07Å; L15-L197 HydrophobicContact CD2-CD2 4.22Å; L15-L197 HydrophobicContact CD2-CG 4.4Å; Q132-L197 HydrophobicContact CB-CD1 4.26Å; Q132-L197 HydrophobicContact CG-CB 4.01Å; Q132-L197 HydrophobicContact CG-CD1 4.07Å; F133-L197 HydrophobicContact CB-CD1 4.14Å; F133-L197 HydrophobicContact CD2-CD2 3.95Å; T136-L197 HydrophobicContact CG2-CD2 3.98Å; N193-L197 VanDerWaalsContact O-CB 3.32Å; N193-L197 WeakPolarHBondContact O-CB 3.5Å; N193-L197 PolarHBondContact O-N 3.34Å; V194-L197 PolarHBondContact O-N 3.1Å; L197-K199 VanDerWaalsContact C-N 3.35Å; L197-K199 PolarHBondContact O-N 3.32Å; L197-I200 PolarHBondContact O-N 3.39Å; L197-R201 WeakPolarHBondContact O-CB 3.48Å; L197-R201 PolarHBondContact O-N 2.65Å
198G98Very high98Very high27 Ų2768.5 Ų68.528%0.27833%0.331SS..Hα-helixtrans-56.9-47176.300000112.2V194 V195 T196 R201 D202V194-G198 PolarHBondContact O-N 3.26Å; V195-G198 PolarHBondContact O-N 2.99Å; T196-G198 VanDerWaalsContact C-N 3.34Å; T196-G198 PolarHBondContact O-N 3.4Å; G198-R201 WeakPolarHBondContact O-CB 3.39Å; G198-R201 PolarHBondContact O-N 2.82Å; G198-D202 VanDerWaalsContact O-CG 3.23Å; G198-D202 PolarHBondContact O-N 2.9Å
199K98.1Very high98Very high136 Ų13663 Ų6359%0.59132%0.315SS*.Hα-helixtrans-60.8-49.9176.4-67.8178.2-178.8-178.30112.4V195 T196 L197 R201 D202 D203V195-K199 PolarHBondContact O-N 2.7Å; T196-K199 PolarHBondContact O-N 3.12Å; L197-K199 VanDerWaalsContact C-N 3.35Å; L197-K199 PolarHBondContact O-N 3.32Å; K199-R201 VanDerWaalsContact C-N 3.27Å; K199-R201 PolarHBondContact O-N 2.64Å; K199-D202 PolarHBondContact O-N 3.09Å; K199-D202 VanDerWaalsContact O-N 3.13Å; K199-D203 PolarHBondContact O-N 3.4Å
200I97.9Very high98Very high15 Ų1561.4 Ų61.48%0.07731%0.311CS..Hα-helixtrans-61-38.2179-72.7162.3000111.3Q128 K129 Q132 T196 L197 W204Q128-I200 HydrophobicContact CG-CD1 3.96Å; Q128-I200 HydrophobicContact CG-CG1 4.3Å; Q128-I200 HydrophobicContact CG-CG2 4.17Å; K129-I200 HydrophobicContact CB-CG2 4Å; Q132-I200 HydrophobicContact CB-CD1 3.79Å; Q132-I200 HydrophobicContact CG-CD1 3.78Å; T196-I200 HydrophobicContact CG2-CD1 4.06Å; T196-I200 PolarHBondContact O-N 3.44Å; T196-I200 VanDerWaalsContact O-N 3.12Å; L197-I200 PolarHBondContact O-N 3.39Å; I200-W204 WeakPolarHBondContact O-CB 3.5Å; I200-W204 PolarHBondContact O-N 2.82Å
201R97Very high97.9Very high113 Ų11359.1 Ų59.143%0.42630%0.302SS..Hα-helixtrans-62.6-47174.7-177.4-163.377.7135.37.2111L15 L197 G198 K199 D203 W204 L205L15-R201 HydrophobicContact CD1-CB 4.46Å; L15-R201 HydrophobicContact CD1-CG 3.78Å; L197-R201 WeakPolarHBondContact O-CB 3.48Å; L197-R201 PolarHBondContact O-N 2.65Å; G198-R201 WeakPolarHBondContact O-CB 3.39Å; G198-R201 PolarHBondContact O-N 2.82Å; K199-R201 VanDerWaalsContact C-N 3.27Å; K199-R201 PolarHBondContact O-N 2.64Å; R201-D203 VanDerWaalsContact C-N 3.33Å; R201-D203 PolarHBondContact O-N 3.48Å; R201-W204 PolarHBondContact O-N 3.47Å; R201-L205 HydrophobicContact CG-CD1 4.16Å; R201-L205 HydrophobicContact CG-CG 4.41Å; R201-L205 VanDerWaalsContact O-CG 3.3Å; R201-L205 WeakPolarHBondContact O-CG 3.1Å; R201-L205 PolarHBondContact O-N 3.46Å
202D97.6Very high97.9Very high66 Ų6654.4 Ų54.435%0.35328%0.28SS..Hα-helixtrans-66.8-36.5-177.6-65.7-13.7000111.8G198 K199 L205 K206G198-D202 VanDerWaalsContact O-CG 3.23Å; G198-D202 PolarHBondContact O-N 2.9Å; K199-D202 PolarHBondContact O-N 3.09Å; K199-D202 VanDerWaalsContact O-N 3.13Å; D202-L205 PolarHBondContact O-N 3.38Å; D202-K206 WeakPolarHBondContact O-CG 3.49Å; D202-K206 PolarHBondContact O-N 3.43Å; D202-K206 VanDerWaalsContact O-N 3.16Å
203D97.2Very high97.9Very high85 Ų8552.8 Ų52.846%0.45527%0.272SS..Hα-helixtrans-65.4-44.5172.5-67.3-22.5000111.3K199 R201 L205 K206 E207K199-D203 PolarHBondContact O-N 3.4Å; R201-D203 VanDerWaalsContact C-N 3.33Å; R201-D203 PolarHBondContact O-N 3.48Å; D203-L205 PolarHBondContact O-N 3.18Å; D203-K206 PolarHBondContact O-N 3.02Å; D203-E207 PolarHBondContact O-N 2.96Å; D203-E207 VanDerWaalsContact O-N 3.07Å
204W97.6Very high97.9Very high18 Ų1855.6 Ų55.67%0.06829%0.287CS..Hα-helixtrans-61.5-42174.3173.378.8000112.4W11 H126 K129 I200 R201 K206 E207 H208W11-W204 HydrophobicContact CE3-CH2 4.34Å; W11-W204 HydrophobicContact CZ3-CH2 4.24Å; W11-W204 HydrophobicContact CZ3-CZ3 4.27Å; H126-W204 AromaticContact CD2-CD1 3.66Å; H126-W204 AromaticContact CD2-NE1 3.04Å; H126-W204 PolarHBondContact CD2-NE1 3.04Å; H126-W204 AromaticContact NE2-CD1 3.93Å; H126-W204 AromaticContact NE2-CE2 3.79Å; H126-W204 AromaticContact NE2-NE1 2.94Å; H126-W204 PolarHBondContact NE2-NE1 2.61Å; K129-W204 HydrophobicContact CD-CB 4.39Å; K129-W204 HydrophobicContact CD-CD2 3.97Å; K129-W204 HydrophobicContact CD-CE3 4.23Å; K129-W204 HydrophobicContact CD-CG 4Å; K129-W204 VanDerWaalsContact NZ-CE2 3.34Å; I200-W204 WeakPolarHBondContact O-CB 3.5Å; I200-W204 PolarHBondContact O-N 2.82Å; R201-W204 PolarHBondContact O-N 3.47Å; W204-K206 VanDerWaalsContact C-N 3.34Å; W204-K206 PolarHBondContact O-N 3.24Å; W204-E207 PolarHBondContact O-N 3.25Å; W204-H208 HydrophobicContact CZ2-CB 4.2Å; W204-H208 AromaticContact CZ2-ND1 3.8Å; W204-H208 VanDerWaalsContact O-CB 3.28Å; W204-H208 WeakPolarHBondContact O-CB 3.44Å; W204-H208 PolarHBondContact O-N 3.33Å
205L96.6Very high97.9Very high51 Ų5152.6 Ų52.627%0.26727%0.269SS..Hα-helixtrans-60.1-45.2178.8-76.8170.7000111.3W11 R201 D202 D203 H208 V209W11-L205 HydrophobicContact CE3-CD2 4.38Å; W11-L205 HydrophobicContact CH2-CD2 4.08Å; W11-L205 HydrophobicContact CZ3-CD2 3.61Å; R201-L205 HydrophobicContact CG-CD1 4.16Å; R201-L205 HydrophobicContact CG-CG 4.41Å; R201-L205 VanDerWaalsContact O-CG 3.3Å; R201-L205 WeakPolarHBondContact O-CG 3.1Å; R201-L205 PolarHBondContact O-N 3.46Å; D202-L205 PolarHBondContact O-N 3.38Å; D203-L205 PolarHBondContact O-N 3.18Å; L205-H208 PolarHBondContact O-N 3.38Å; L205-V209 WeakPolarHBondContact O-CG2 3.49Å; L205-V209 PolarHBondContact O-N 3.48Å; L205-V209 VanDerWaalsContact O-N 3.15Å
206K97.5Very high97.9Very high147 Ų14749.8 Ų49.864%0.63925%0.25SS*.Hα-helixtrans-61.3-47.3177.1-70.6169.3-173.4167.90111.4D202 D203 W204 V209 S210D202-K206 WeakPolarHBondContact O-CG 3.49Å; D202-K206 PolarHBondContact O-N 3.43Å; D202-K206 VanDerWaalsContact O-N 3.16Å; D203-K206 PolarHBondContact O-N 3.02Å; W204-K206 VanDerWaalsContact C-N 3.34Å; W204-K206 PolarHBondContact O-N 3.24Å; K206-V209 PolarHBondContact O-N 3.2Å; K206-S210 PolarHBondContact O-N 2.85Å; K206-S210 VanDerWaalsContact O-N 3.15Å
207E97.8Very high97.9Very high43 Ų4353 Ų5320%0.20126%0.26CS..Hα-helixtrans-68.1-37.8-179.2-16361.8-136.400112Q121 M122 L125 D203 W204 V209 S210 A211Q121-E207 HydrophobicContact CG-CG 4.32Å; Q121-E207 PolarHBondContact NE2-OE1 3.02Å; Q121-E207 PolarHBondContact NE2-OE2 3.43Å; M122-E207 HydrophobicContact SD-CB 4.13Å; M122-E207 HydrophobicContact SD-CG 3.69Å; L125-E207 HydrophobicContact CD1-CB 3.5Å; L125-E207 VanDerWaalsContact CD1-CB 3.5Å; L125-E207 HydrophobicContact CD1-CG 3.57Å; D203-E207 PolarHBondContact O-N 2.96Å; D203-E207 VanDerWaalsContact O-N 3.07Å; W204-E207 PolarHBondContact O-N 3.25Å; E207-V209 PolarHBondContact O-N 3.47Å; E207-S210 WeakPolarHBondContact O-CB 3.36Å; E207-S210 PolarHBondContact O-N 2.74Å; E207-A211 WeakPolarHBondContact O-CB 3.2Å; E207-A211 PolarHBondContact O-N 3.45Å
208H97.6Very high97.9Very high4 Ų452.8 Ų52.82%0.01926%0.258CS..Hα-helixtrans-61.5-42.6177.2-175.183.1000112.1F10 W11 M122 W204 L205 A211 C212F10-H208 PolarHBondContact O-NE2 3.32Å; W11-H208 AromaticContact CE3-CD2 3.69Å; W11-H208 AromaticContact CE3-NE2 3.98Å; W11-H208 AromaticContact CH2-CD2 3.54Å; W11-H208 HydrophobicContact CZ3-CB 4.26Å; W11-H208 AromaticContact CZ3-CD2 3.21Å; W11-H208 WeakPolarHBondContact CZ3-CD2 3.34Å; W11-H208 AromaticContact CZ3-CG 3.93Å; W11-H208 AromaticContact CZ3-NE2 3.97Å; M122-H208 HydrophobicContact CE-CB 4.07Å; W204-H208 HydrophobicContact CZ2-CB 4.2Å; W204-H208 AromaticContact CZ2-ND1 3.8Å; W204-H208 VanDerWaalsContact O-CB 3.28Å; W204-H208 WeakPolarHBondContact O-CB 3.44Å; W204-H208 PolarHBondContact O-N 3.33Å; L205-H208 PolarHBondContact O-N 3.38Å; H208-A211 PolarHBondContact O-N 3.27Å; H208-C212 WeakPolarHBondContact O-CB 3.4Å; H208-C212 PolarHBondContact O-N 3.35Å; H208-C212 PolarHBondContact O-SG 3.05Å
209V98.1Very high97.9Very high43 Ų4351.8 Ų51.826%0.26125%0.247SC..Hα-helixtrans-60.7-49174172.60000110.7K7 W11 L205 K206 E207 A211 C212 E213K7-V209 HydrophobicContact CB-CG1 4.08Å; K7-V209 HydrophobicContact CD-CG1 3.87Å; W11-V209 HydrophobicContact CH2-CG2 3.64Å; W11-V209 HydrophobicContact CZ2-CG2 3.82Å; L205-V209 WeakPolarHBondContact O-CG2 3.49Å; L205-V209 PolarHBondContact O-N 3.48Å; L205-V209 VanDerWaalsContact O-N 3.15Å; K206-V209 PolarHBondContact O-N 3.2Å; E207-V209 PolarHBondContact O-N 3.47Å; V209-A211 PolarHBondContact O-N 2.9Å; V209-C212 WeakPolarHBondContact O-CB 3.49Å; V209-C212 PolarHBondContact O-N 2.98Å; V209-E213 WeakPolarHBondContact O-CG 3.47Å; V209-E213 PolarHBondContact O-N 3.33Å
210S98.2Very high97.9Very high43 Ų4350.6 Ų50.630%0.30124%0.244SC..Hα-helixtrans-57.2-48.6178175.90000111.7K206 E207 C212 E213 I214K206-S210 PolarHBondContact O-N 2.85Å; K206-S210 VanDerWaalsContact O-N 3.15Å; E207-S210 WeakPolarHBondContact O-CB 3.36Å; E207-S210 PolarHBondContact O-N 2.74Å; S210-C212 PolarHBondContact O-N 3.38Å; S210-E213 PolarHBondContact O-N 3.39Å; S210-I214 WeakPolarHBondContact O-CG1 3.24Å; S210-I214 PolarHBondContact O-N 3.4Å
211A98.4Very high97.9Very high1 Ų154.1 Ų54.11%0.00826%0.261CS..Hα-helixtrans-60.3-44.3177.600000111.7I118 M122 E207 H208 V209 E213 I214 F215I118-A211 HydrophobicContact CG2-CB 3.78Å; M122-A211 HydrophobicContact CG-CB 4.07Å; M122-A211 HydrophobicContact SD-CB 4.06Å; E207-A211 WeakPolarHBondContact O-CB 3.2Å; E207-A211 PolarHBondContact O-N 3.45Å; H208-A211 PolarHBondContact O-N 3.27Å; V209-A211 PolarHBondContact O-N 2.9Å; A211-E213 PolarHBondContact O-N 3.22Å; A211-I214 PolarHBondContact O-N 2.97Å; A211-F215 HydrophobicContact CB-CD2 4.4Å; A211-F215 HydrophobicContact CB-CE2 4.01Å; A211-F215 HydrophobicContact CB-CZ 4.43Å; A211-F215 WeakPolarHBondContact O-CB 3.44Å; A211-F215 VanDerWaalsContact O-CD2 3.23Å; A211-F215 WeakPolarHBondContact O-CD2 3.4Å; A211-F215 WeakPolarHBondContact O-CG 3.49Å; A211-F215 PolarHBondContact O-N 3.42Å
212C98.5Very high98Very high2 Ų250.1 Ų50.11%0.01425%0.246CC..Hα-helixtrans-58.4-45.7176.5-74.50000112.3F6 K7 H208 V209 S210 I214 F215 E216F6-C212 HydrophobicContact CB-CB 3.85Å; K7-C212 HydrophobicContact CB-CB 3.85Å; H208-C212 WeakPolarHBondContact O-CB 3.4Å; H208-C212 PolarHBondContact O-N 3.35Å; H208-C212 PolarHBondContact O-SG 3.05Å; V209-C212 WeakPolarHBondContact O-CB 3.49Å; V209-C212 PolarHBondContact O-N 2.98Å; S210-C212 PolarHBondContact O-N 3.38Å; C212-I214 VanDerWaalsContact C-N 3.35Å; C212-I214 PolarHBondContact O-N 3.41Å; C212-F215 PolarHBondContact O-N 3.3Å; C212-E216 VanDerWaalsContact O-CB 3.29Å; C212-E216 WeakPolarHBondContact O-CB 3.49Å; C212-E216 PolarHBondContact O-N 3.14Å
213E98.1Very high98Very high89 Ų8951.2 Ų51.242%0.41625%0.251SS..Hα-helixtrans-63.3-41.5178.4-69.6178.3155.900111.6K7 V209 S210 A211 K217K7-E213 HydrophobicContact CD-CG 3.95Å; K7-E213 WeakPolarHBondContact CD-OE1 3.4Å; K7-E213 WeakPolarHBondContact CE-OE1 3.33Å; K7-E213 IonicContact NZ-OE1 3.93Å; K7-E213 PolarHBondContact NZ-OE1 3.24Å; V209-E213 WeakPolarHBondContact O-CG 3.47Å; V209-E213 PolarHBondContact O-N 3.33Å; S210-E213 PolarHBondContact O-N 3.39Å; A211-E213 PolarHBondContact O-N 3.22Å; E213-K217 WeakPolarHBondContact O-CB 3.48Å; E213-K217 PolarHBondContact O-N 2.96Å
214I98.3Very high98.1Very high63 Ų6349.5 Ų49.532%0.32325%0.245SC..Hα-helixtrans-67.2-44.1177.9-63.4163.9000111.1I118 S210 A211 C212 K217 Q218I118-I214 HydrophobicContact CD1-CB 4.06Å; I118-I214 HydrophobicContact CD1-CD1 3.97Å; I118-I214 HydrophobicContact CD1-CG2 3.37Å; S210-I214 WeakPolarHBondContact O-CG1 3.24Å; S210-I214 PolarHBondContact O-N 3.4Å; A211-I214 PolarHBondContact O-N 2.97Å; C212-I214 VanDerWaalsContact C-N 3.35Å; C212-I214 PolarHBondContact O-N 3.41Å; I214-K217 PolarHBondContact O-N 3.4Å; I214-Q218 WeakPolarHBondContact O-CG 3.29Å; I214-Q218 PolarHBondContact O-N 3.05Å
215F98.6Very high98.2Very high1 Ų151.2 Ų51.20%0.00425%0.253CS..Hα-helixtrans-66.7-38.5179.1-68.7-22.1000112.9F6 Y21 I24 I25 L28 R115 I118 A211 C212 Q218 S219F6-F215 HydrophobicContact CD2-CB 4.36Å; Y21-F215 HydrophobicContact CD2-CE2 4.33Å; Y21-F215 AromaticContact CE2-CE2 3.84Å; Y21-F215 HydrophobicContact CE2-CE2 3.84Å; Y21-F215 HydrophobicContact CE2-CZ 4.35Å; I24-F215 HydrophobicContact CG2-CB 3.77Å; I24-F215 HydrophobicContact CG2-CD2 3.66Å; I24-F215 HydrophobicContact CG2-CG 4.04Å; I25-F215 HydrophobicContact CD1-CD2 4.43Å; I25-F215 HydrophobicContact CD1-CE2 3.72Å; I25-F215 HydrophobicContact CD1-CZ 3.78Å; L28-F215 HydrophobicContact CD1-CB 3.82Å; L28-F215 HydrophobicContact CD1-CD1 3.6Å; L28-F215 HydrophobicContact CD1-CD2 4.2Å; L28-F215 HydrophobicContact CD1-CE1 4.22Å; L28-F215 HydrophobicContact CD1-CG 3.6Å; R115-F215 HydrophobicContact CG-CD1 4.39Å; R115-F215 HydrophobicContact CG-CE1 3.79Å; I118-F215 HydrophobicContact CB-CE1 4Å; I118-F215 HydrophobicContact CB-CZ 4.07Å; I118-F215 HydrophobicContact CD1-CE1 4.07Å; I118-F215 HydrophobicContact CG2-CE1 3.8Å; I118-F215 HydrophobicContact CG2-CE2 4.4Å; I118-F215 HydrophobicContact CG2-CZ 3.55Å; A211-F215 HydrophobicContact CB-CD2 4.4Å; A211-F215 HydrophobicContact CB-CE2 4.01Å; A211-F215 HydrophobicContact CB-CZ 4.43Å; A211-F215 WeakPolarHBondContact O-CB 3.44Å; A211-F215 VanDerWaalsContact O-CD2 3.23Å; A211-F215 WeakPolarHBondContact O-CD2 3.4Å; A211-F215 WeakPolarHBondContact O-CG 3.49Å; A211-F215 PolarHBondContact O-N 3.42Å; C212-F215 PolarHBondContact O-N 3.3Å; F215-Q218 PolarHBondContact O-N 3.43Å; F215-S219 WeakPolarHBondContact O-CB 3.44Å; F215-S219 PolarHBondContact O-N 2.92Å; F215-S219 PolarHBondContact O-OG 2.97Å
216E98.4Very high98.2Very high28 Ų2849.7 Ų49.713%0.13125%0.245CC..Hα-helixtrans-62.3-46.6172.4-177.1167.3-91.600110.6H5 F6 C212 Q218 S219 M220H5-E216 WeakPolarHBondContact CA-OE1 3.46Å; H5-E216 IonicContact CE1-OE2 3.63Å; H5-E216 IonicContact CG-OE2 3.15Å; H5-E216 IonicContact ND1-OE1 2.84Å; H5-E216 IonicContact ND1-OE2 3.72Å; H5-E216 PolarHBondContact ND1-OE2 2.64Å; F6-E216 HydrophobicContact CB-CB 4.31Å; F6-E216 HydrophobicContact CD1-CB 4.47Å; F6-E216 HydrophobicContact CD1-CG 4.49Å; F6-E216 WeakPolarHBondContact CD1-OE1 3.38Å; F6-E216 HydrophobicContact CD2-CB 3.76Å; F6-E216 HydrophobicContact CE2-CB 4.18Å; F6-E216 HydrophobicContact CG-CB 3.93Å; F6-E216 HydrophobicContact CG-CG 4.41Å; F6-E216 PolarHBondContact N-OE1 3.1Å; C212-E216 VanDerWaalsContact O-CB 3.29Å; C212-E216 WeakPolarHBondContact O-CB 3.49Å; C212-E216 PolarHBondContact O-N 3.14Å; E216-Q218 PolarHBondContact O-N 3.26Å; E216-S219 WeakPolarHBondContact O-CB 3.4Å; E216-S219 PolarHBondContact O-N 3.19Å; E216-S219 VanDerWaalsContact O-N 3.09Å; E216-M220 HydrophobicContact CG-CE 4.2Å; E216-M220 WeakPolarHBondContact O-CG 3.49Å; E216-M220 PolarHBondContact O-N 3.39Å
217K98.1Very high98.3Very high120 Ų12050.4 Ų50.452%0.52224%0.244SC..Hα-helixtrans-58.4-46.6175-177.5177174.2178.90112.3E213 I214 S219 M220 E221E213-K217 WeakPolarHBondContact O-CB 3.48Å; E213-K217 PolarHBondContact O-N 2.96Å; I214-K217 PolarHBondContact O-N 3.4Å; K217-S219 PolarHBondContact O-N 3.43Å; K217-M220 HydrophobicContact CB-CE 4.37Å; K217-M220 PolarHBondContact O-N 3.41Å; K217-E221 WeakPolarHBondContact CE-OE1 3.48Å; K217-E221 HydrophobicContact CG-CG 4.46Å; K217-E221 WeakPolarHBondContact O-CB 3.43Å; K217-E221 WeakPolarHBondContact O-CG 3.48Å; K217-E221 PolarHBondContact O-N 3.32Å
218Q98.1Very high98.3Very high13 Ų1351.8 Ų51.86%0.06125%0.253CS..Hα-helixtrans-58.3-38.8175.1-76.9-172.4-500111.9Q111 I214 F215 E216 R222Q111-Q218 HydrophobicContact CG-CB 4.43Å; Q111-Q218 HydrophobicContact CG-CG 4.33Å; Q111-Q218 PolarHBondContact NE2-O 3.48Å; I214-Q218 WeakPolarHBondContact O-CG 3.29Å; I214-Q218 PolarHBondContact O-N 3.05Å; F215-Q218 PolarHBondContact O-N 3.43Å; E216-Q218 PolarHBondContact O-N 3.26Å; Q218-R222 WeakPolarHBondContact O-CB 3.43Å; Q218-R222 PolarHBondContact O-N 3.22Å
219S98Very high98.4Very high6 Ų651.9 Ų51.94%0.04225%0.253CS..Hα-helixtrans-65.9-44.8177.9-59.90000112Y27 L28 F215 E216 K217 R222 I223Y27-S219 WeakPolarHBondContact CE1-OG 3.5Å; L28-S219 VanDerWaalsContact CD2-OG 3.23Å; L28-S219 WeakPolarHBondContact CD2-OG 3.27Å; F215-S219 WeakPolarHBondContact O-CB 3.44Å; F215-S219 PolarHBondContact O-N 2.92Å; F215-S219 PolarHBondContact O-OG 2.97Å; E216-S219 WeakPolarHBondContact O-CB 3.4Å; E216-S219 PolarHBondContact O-N 3.19Å; E216-S219 VanDerWaalsContact O-N 3.09Å; K217-S219 PolarHBondContact O-N 3.43Å; S219-R222 PolarHBondContact O-N 3.16Å; S219-I223 VanDerWaalsContact O-CG1 3.3Å; S219-I223 WeakPolarHBondContact O-CG1 3.5Å; S219-I223 PolarHBondContact O-N 3.31Å
220M98.1Very high98.4Very high111 Ų11152.9 Ų52.955%0.54726%0.26SS..Hα-helixtrans-62.5-45.6175.7-68.2-172.7-70.800111.7E216 K217 R222 I223 S224E216-M220 HydrophobicContact CG-CE 4.2Å; E216-M220 WeakPolarHBondContact O-CG 3.49Å; E216-M220 PolarHBondContact O-N 3.39Å; K217-M220 HydrophobicContact CB-CE 4.37Å; K217-M220 PolarHBondContact O-N 3.41Å; M220-R222 PolarHBondContact O-N 3Å; M220-I223 PolarHBondContact O-N 3.17Å; M220-S224 WeakPolarHBondContact O-CB 3.45Å; M220-S224 PolarHBondContact O-N 3.03Å
221E98.5Very high98.4Very high90 Ų9058.9 Ų58.942%0.42128%0.276SS..Hα-helixtrans-59.9-44.6176.7-74.7175.8-179.600111.4K217 I223 S224 F225K217-E221 WeakPolarHBondContact CE-OE1 3.48Å; K217-E221 HydrophobicContact CG-CG 4.46Å; K217-E221 WeakPolarHBondContact O-CB 3.43Å; K217-E221 WeakPolarHBondContact O-CG 3.48Å; K217-E221 PolarHBondContact O-N 3.32Å; E221-I223 PolarHBondContact O-N 3.11Å; E221-S224 PolarHBondContact O-N 3.15Å; E221-F225 WeakPolarHBondContact O-CB 3.33Å; E221-F225 PolarHBondContact O-N 3.16Å
222R98.6Very high98.4Very high29 Ų2961.3 Ų61.311%0.10929%0.291CS..Hα-helixtrans-58.7-48.7176.3-176.9-163.769.694.2-0.5112.1F107 Q218 S219 M220 F225 L226F107-R222 HydrophobicContact CE1-CB 4.31Å; F107-R222 HydrophobicContact CE1-CG 4.3Å; F107-R222 HydrophobicContact CZ-CB 4.2Å; Q218-R222 WeakPolarHBondContact O-CB 3.43Å; Q218-R222 PolarHBondContact O-N 3.22Å; S219-R222 PolarHBondContact O-N 3.16Å; M220-R222 PolarHBondContact O-N 3Å; R222-F225 PolarHBondContact O-N 2.96Å; R222-L226 HydrophobicContact CG-CD1 4.22Å; R222-L226 WeakPolarHBondContact O-CB 3.42Å; R222-L226 PolarHBondContact O-N 3.39Å
223I98.7Very high98.4Very high89 Ų8961.9 Ų61.946%0.45629%0.293SS..Hα-helixtrans-61.1-47.4-179.4-69.1164.5000110.2S219 M220 E221 R227S219-I223 VanDerWaalsContact O-CG1 3.3Å; S219-I223 WeakPolarHBondContact O-CG1 3.5Å; S219-I223 PolarHBondContact O-N 3.31Å; M220-I223 PolarHBondContact O-N 3.17Å; E221-I223 PolarHBondContact O-N 3.11Å; I223-R227 WeakPolarHBondContact O-CB 3.41Å; I223-R227 PolarHBondContact O-N 3.47Å; I223-R227 VanDerWaalsContact O-N 3.07Å
224S98.6Very high98.4Very high49 Ų4962 Ų6234%0.34330%0.296SS..Hα-helixtrans-61.8-46.1177.9-174.80000111.8M220 E221 R227 N228M220-S224 WeakPolarHBondContact O-CB 3.45Å; M220-S224 PolarHBondContact O-N 3.03Å; E221-S224 PolarHBondContact O-N 3.15Å; S224-R227 PolarHBondContact O-N 3.27Å; S224-N228 WeakPolarHBondContact O-CB 3.42Å; S224-N228 PolarHBondContact O-N 2.98Å; S224-N228 PolarHBondContact O-ND2 3.35Å; S224-N228 PolarHBondContact O-OD1 2.9Å
225F98.6Very high98.4Very high54 Ų5462.9 Ų62.924%0.23730%0.301CS..Hα-helixtrans-60.4-53.6-179.9-172.2-85.8000111.2K103 L104 F107 E221 R222 R227 N228 T229K103-F225 HydrophobicContact CB-CZ 4.43Å; L104-F225 HydrophobicContact CB-CE1 4.1Å; L104-F225 HydrophobicContact CD1-CD1 3.95Å; L104-F225 HydrophobicContact CD1-CE1 3.64Å; L104-F225 HydrophobicContact CG-CE1 4.49Å; F107-F225 HydrophobicContact CB-CD1 4.29Å; F107-F225 HydrophobicContact CB-CD2 4.43Å; F107-F225 HydrophobicContact CB-CE1 3.84Å; F107-F225 HydrophobicContact CB-CE2 3.98Å; F107-F225 HydrophobicContact CB-CZ 3.66Å; F107-F225 AromaticContact CD1-CD1 3.72Å; F107-F225 HydrophobicContact CD1-CD1 3.72Å; F107-F225 HydrophobicContact CD1-CE1 4.06Å; F107-F225 HydrophobicContact CD1-CG 4.02Å; F107-F225 HydrophobicContact CD2-CB 4.44Å; F107-F225 HydrophobicContact CD2-CD1 4.34Å; F107-F225 AromaticContact CD2-CD2 3.77Å; F107-F225 HydrophobicContact CD2-CD2 3.77Å; F107-F225 HydrophobicContact CD2-CE2 4.07Å; F107-F225 AromaticContact CD2-CG 3.91Å; F107-F225 HydrophobicContact CD2-CG 3.91Å; F107-F225 HydrophobicContact CD2-CZ 4.5Å; F107-F225 HydrophobicContact CE1-CB 4.22Å; F107-F225 HydrophobicContact CE1-CD1 4.16Å; F107-F225 HydrophobicContact CE1-CG 4.21Å; F107-F225 HydrophobicContact CE2-CB 4.12Å; F107-F225 HydrophobicContact CE2-CD2 4.2Å; F107-F225 HydrophobicContact CE2-CG 4.1Å; F107-F225 AromaticContact CG-CD1 3.84Å; F107-F225 HydrophobicContact CG-CD1 3.84Å; F107-F225 AromaticContact CG-CD2 4Å; F107-F225 HydrophobicContact CG-CD2 4Å; F107-F225 AromaticContact CG-CE1 3.92Å; F107-F225 HydrophobicContact CG-CE1 3.92Å; F107-F225 HydrophobicContact CG-CE2 4.05Å; F107-F225 AromaticContact CG-CG 3.89Å; F107-F225 HydrophobicContact CG-CG 3.89Å; F107-F225 HydrophobicContact CG-CZ 4.02Å; F107-F225 HydrophobicContact CZ-CB 4.02Å; F107-F225 HydrophobicContact CZ-CG 4.25Å; E221-F225 WeakPolarHBondContact O-CB 3.33Å; E221-F225 PolarHBondContact O-N 3.16Å; R222-F225 PolarHBondContact O-N 2.96Å; F225-R227 VanDerWaalsContact C-N 3.34Å; F225-R227 PolarHBondContact O-N 3.35Å; F225-N228 PolarHBondContact O-N 3.05Å; F225-N228 VanDerWaalsContact O-N 3.13Å; F225-T229 VanDerWaalsContact CE1-OG1 3.31Å; F225-T229 WeakPolarHBondContact CE1-OG1 3.44Å; F225-T229 PolarHBondContact O-N 3.18Å; F225-T229 PolarHBondContact O-OG1 2.85Å; F225-T229 VanDerWaalsContact O-OG1 3.07Å
226L98.4Very high98.4Very high19 Ų1964.6 Ų64.610%0.09931%0.31CS..Hα-helixtrans-58.6-45179.3-78.7175.8000112.3T34 V38 L104 R222 N228 T229 V230T34-L226 HydrophobicContact CG2-CD1 4.4Å; V38-L226 HydrophobicContact CB-CD2 4.32Å; V38-L226 HydrophobicContact CG1-CD2 4.3Å; V38-L226 HydrophobicContact CG2-CD2 4.36Å; L104-L226 HydrophobicContact CD1-CD2 3.78Å; L104-L226 HydrophobicContact CD2-CD2 4.37Å; R222-L226 HydrophobicContact CG-CD1 4.22Å; R222-L226 WeakPolarHBondContact O-CB 3.42Å; R222-L226 PolarHBondContact O-N 3.39Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 3.48Å; L226-T229 PolarHBondContact O-N 3.43Å; L226-V230 WeakPolarHBondContact O-CG2 3.35Å; L226-V230 PolarHBondContact O-N 3.49Å
227R98.6Very high98.4Very high161 Ų16165.3 Ų65.361%0.60831%0.314SS*.Hα-helixtrans-56.2-47.4176.3-177.7-165.367.6-177.6-0.8110.9I223 S224 F225 W231I223-R227 WeakPolarHBondContact O-CB 3.41Å; I223-R227 PolarHBondContact O-N 3.47Å; I223-R227 VanDerWaalsContact O-N 3.07Å; S224-R227 PolarHBondContact O-N 3.27Å; F225-R227 VanDerWaalsContact C-N 3.34Å; F225-R227 PolarHBondContact O-N 3.35Å; R227-W231 WeakPolarHBondContact O-CB 3.35Å; R227-W231 PolarHBondContact O-N 3.1Å
228N98.4Very high98.4Very high72 Ų7263 Ų6339%0.38531%0.313SS..Hα-helixtrans-69.8-38-178.2-63.2-10.3000111.7S224 F225 L226 W231 T232S224-N228 WeakPolarHBondContact O-CB 3.42Å; S224-N228 PolarHBondContact O-N 2.98Å; S224-N228 PolarHBondContact O-ND2 3.35Å; S224-N228 PolarHBondContact O-OD1 2.9Å; F225-N228 PolarHBondContact O-N 3.05Å; F225-N228 VanDerWaalsContact O-N 3.13Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 3.48Å; N228-W231 WeakPolarHBondContact O-CB 3.33Å; N228-W231 PolarHBondContact O-N 3.44Å; N228-T232 WeakPolarHBondContact O-CB 3.28Å; N228-T232 PolarHBondContact O-N 2.63Å; N228-T232 PolarHBondContact O-OG1 3.4Å; N228-T232 VanDerWaalsContact O-OG1 3.04Å
229T98.4Very high98.5Very high6 Ų667.7 Ų67.74%0.03734%0.335CS..Hα-helixtrans-59.3-48.1174.7-61.10000111.3M42 F225 L226 W231 T232 H233M42-T229 HydrophobicContact CE-CG2 4.03Å; M42-T229 HydrophobicContact SD-CG2 3.87Å; F225-T229 VanDerWaalsContact CE1-OG1 3.31Å; F225-T229 WeakPolarHBondContact CE1-OG1 3.44Å; F225-T229 PolarHBondContact O-N 3.18Å; F225-T229 PolarHBondContact O-OG1 2.85Å; F225-T229 VanDerWaalsContact O-OG1 3.07Å; L226-T229 PolarHBondContact O-N 3.43Å; T229-W231 VanDerWaalsContact C-N 3.34Å; T229-W231 PolarHBondContact O-N 3.08Å; T229-T232 PolarHBondContact O-N 3.5Å; T229-H233 WeakPolarHBondContact O-CB 3.49Å; T229-H233 PolarHBondContact O-N 2.65Å
230V98.3Very high98.5Very high65 Ų6568.2 Ų68.239%0.39434%0.337SS..Hα-helixtrans-64.4-41.3177.71750000110.8L226 H233 L234L226-V230 WeakPolarHBondContact O-CG2 3.35Å; L226-V230 PolarHBondContact O-N 3.49Å; V230-H233 WeakPolarHBondContact O-CB 3.42Å; V230-H233 PolarHBondContact O-N 2.95Å; V230-L234 HydrophobicContact CG1-CD1 4.18Å; V230-L234 HydrophobicContact CG1-CG 4.5Å; V230-L234 WeakPolarHBondContact O-CG 3.39Å; V230-L234 PolarHBondContact O-N 2.95Å
231W98.7Very high98.5Very high168 Ų16867.2 Ų67.264%0.63634%0.34SS*.Hα-helixtrans-59.1-49.3176-173.8-85.9000112.3R227 N228 T229 H233 L234 N235R227-W231 WeakPolarHBondContact O-CB 3.35Å; R227-W231 PolarHBondContact O-N 3.1Å; N228-W231 WeakPolarHBondContact O-CB 3.33Å; N228-W231 PolarHBondContact O-N 3.44Å; T229-W231 VanDerWaalsContact C-N 3.34Å; T229-W231 PolarHBondContact O-N 3.08Å; W231-H233 VanDerWaalsContact C-N 3.31Å; W231-H233 PolarHBondContact O-N 3.28Å; W231-L234 PolarHBondContact O-N 2.8Å; W231-N235 PolarHBondContact NE1-ND2 3.43Å; W231-N235 VanDerWaalsContact NE1-ND2 3.1Å; W231-N235 PolarHBondContact O-N 3.24Å; W231-N235 PolarHBondContact O-ND2 3.32Å
232T98.5Very high98.5Very high52 Ų5266.4 Ų66.432%0.31934%0.341SS..Hα-helixtrans-59.2-43.5176.3-610000111.3E100 N228 T229 L234 N235 Q236E100-T232 HydrophobicContact CG-CG2 4.36Å; N228-T232 WeakPolarHBondContact O-CB 3.28Å; N228-T232 PolarHBondContact O-N 2.63Å; N228-T232 PolarHBondContact O-OG1 3.4Å; N228-T232 VanDerWaalsContact O-OG1 3.04Å; T229-T232 PolarHBondContact O-N 3.5Å; T232-L234 VanDerWaalsContact C-N 3.34Å; T232-L234 PolarHBondContact O-N 3.15Å; T232-N235 PolarHBondContact O-N 3.01Å; T232-Q236 WeakPolarHBondContact O-CG 3.47Å; T232-Q236 PolarHBondContact O-N 2.94Å
233H98.1Very high98.5Very high15 Ų1566.9 Ų66.97%0.06935%0.347CS..Hα-helixtrans-59.4-43.4177.5-175.665.4000112.4M42 T229 V230 W231 Q236 L237M42-H233 HydrophobicContact CE-CB 3.91Å; T229-H233 WeakPolarHBondContact O-CB 3.49Å; T229-H233 PolarHBondContact O-N 2.65Å; V230-H233 WeakPolarHBondContact O-CB 3.42Å; V230-H233 PolarHBondContact O-N 2.95Å; W231-H233 VanDerWaalsContact C-N 3.31Å; W231-H233 PolarHBondContact O-N 3.28Å; H233-Q236 WeakPolarHBondContact O-CB 3.32Å; H233-Q236 PolarHBondContact O-N 2.99Å; H233-L237 WeakPolarHBondContact O-CG 3.22Å; H233-L237 PolarHBondContact O-N 2.9Å; H233-L237 VanDerWaalsContact O-N 3.15Å
234L98.4Very high98.5Very high91 Ų9163 Ų6348%0.47633%0.328SS..Hα-helixtrans-65-41.2176.5-68.3171.6000111.9V230 W231 T232 Q236 L237 S238V230-L234 HydrophobicContact CG1-CD1 4.18Å; V230-L234 HydrophobicContact CG1-CG 4.5Å; V230-L234 WeakPolarHBondContact O-CG 3.39Å; V230-L234 PolarHBondContact O-N 2.95Å; W231-L234 PolarHBondContact O-N 2.8Å; T232-L234 VanDerWaalsContact C-N 3.34Å; T232-L234 PolarHBondContact O-N 3.15Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; L234-Q236 PolarHBondContact O-N 3.41Å; L234-L237 HydrophobicContact CD2-CD1 4.49Å; L234-L237 WeakPolarHBondContact O-CB 3.34Å; L234-L237 PolarHBondContact O-N 2.88Å; L234-S238 PolarHBondContact O-N 3.41Å; L234-S238 PolarHBondContact O-OG 3.18Å
235N98.7Very high98.5Very high81 Ų8165 Ų6543%0.43334%0.335SS..Hα-helixtrans-62.9-39.1176.5-66.8-21000112.2W231 T232 L237 S238 Q239W231-N235 PolarHBondContact NE1-ND2 3.43Å; W231-N235 VanDerWaalsContact NE1-ND2 3.1Å; W231-N235 PolarHBondContact O-N 3.24Å; W231-N235 PolarHBondContact O-ND2 3.32Å; T232-N235 PolarHBondContact O-N 3.01Å; N235-L237 VanDerWaalsContact C-N 3.31Å; N235-L237 PolarHBondContact O-N 3.39Å; N235-S238 PolarHBondContact O-N 2.97Å; N235-Q239 WeakPolarHBondContact O-CB 3.5Å; N235-Q239 PolarHBondContact O-N 2.85Å
236Q98.4Very high98.5Very high38 Ų3867.7 Ų67.718%0.17835%0.348CS..Hα-helixtrans-60.6-41.7174.7-71170.5-20.400111.4L93 T232 H233 L234 Q240L93-Q236 HydrophobicContact CD1-CB 3.71Å; T232-Q236 WeakPolarHBondContact O-CG 3.47Å; T232-Q236 PolarHBondContact O-N 2.94Å; H233-Q236 WeakPolarHBondContact O-CB 3.32Å; H233-Q236 PolarHBondContact O-N 2.99Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; L234-Q236 PolarHBondContact O-N 3.41Å; Q236-Q240 PolarHBondContact O-N 2.99Å; Q236-Q240 VanDerWaalsContact O-N 3.11Å
237L98.3Very high98.5Very high42 Ų4267.9 Ų67.922%0.2235%0.349CS..Hα-helixtrans-64.8-45.5175.3-68.7173.8000112L93 M97 H233 L234 N235 Q239 Q240 C241L93-L237 HydrophobicContact CD2-CD2 4.13Å; M97-L237 HydrophobicContact CE-CD2 3.3Å; M97-L237 HydrophobicContact CE-CG 4.06Å; H233-L237 WeakPolarHBondContact O-CG 3.22Å; H233-L237 PolarHBondContact O-N 2.9Å; H233-L237 VanDerWaalsContact O-N 3.15Å; L234-L237 HydrophobicContact CD2-CD1 4.49Å; L234-L237 WeakPolarHBondContact O-CB 3.34Å; L234-L237 PolarHBondContact O-N 2.88Å; N235-L237 VanDerWaalsContact C-N 3.31Å; N235-L237 PolarHBondContact O-N 3.39Å; L237-Q239 VanDerWaalsContact C-N 3.34Å; L237-Q239 PolarHBondContact O-N 3.17Å; L237-Q240 WeakPolarHBondContact O-CB 3.22Å; L237-Q240 PolarHBondContact O-N 2.98Å; L237-C241 PolarHBondContact O-N 2.86Å; L237-C241 PolarHBondContact O-SG 3.09Å
238S98.7Very high98.5Very high73 Ų7365 Ų6551%0.5134%0.339SS..Hα-helixtrans-61.6-42.2177.2-640000112.1L234 N235 Q240 C241 V242L234-S238 PolarHBondContact O-N 3.41Å; L234-S238 PolarHBondContact O-OG 3.18Å; N235-S238 PolarHBondContact O-N 2.97Å; S238-Q240 VanDerWaalsContact C-N 3.28Å; S238-Q240 PolarHBondContact O-N 3.07Å; S238-C241 WeakPolarHBondContact O-CB 3.44Å; S238-C241 PolarHBondContact O-N 3.15Å; S238-V242 PolarHBondContact O-N 3.47Å
239Q98.6Very high98.5Very high111 Ų11164.5 Ų64.552%0.51933%0.334SS..Hα-helixtrans-61.2-39.3176.2-176.45958.800111.5N235 L237 C241 V242 T243N235-Q239 WeakPolarHBondContact O-CB 3.5Å; N235-Q239 PolarHBondContact O-N 2.85Å; L237-Q239 VanDerWaalsContact C-N 3.34Å; L237-Q239 PolarHBondContact O-N 3.17Å; Q239-C241 VanDerWaalsContact C-N 3.29Å; Q239-C241 PolarHBondContact O-N 2.94Å; Q239-V242 PolarHBondContact O-N 3Å; Q239-V242 VanDerWaalsContact O-N 3.17Å; Q239-T243 PolarHBondContact O-N 3.43Å; Q239-T243 PolarHBondContact O-OG1 3.48Å; Q239-T243 VanDerWaalsContact O-OG1 3.1Å
240Q98.5Very high98.6Very high17 Ų1768.1 Ų68.18%0.07935%0.351CS..Hα-helixtrans-63.6-34.6177.6-177.960.11700112.9S89 H90 L93 Q236 L237 S238 V242 S244S89-Q240 PolarHBondContact OG-NE2 3.37Å; H90-Q240 PolarHBondContact CD2-NE2 3.17Å; H90-Q240 PolarHBondContact CE1-NE2 3.45Å; H90-Q240 VanDerWaalsContact CE1-NE2 3.32Å; H90-Q240 VanDerWaalsContact CG-NE2 3.27Å; H90-Q240 PolarHBondContact ND1-NE2 3.04Å; H90-Q240 PolarHBondContact NE2-NE2 2.91Å; H90-Q240 VanDerWaalsContact NE2-NE2 3.12Å; L93-Q240 HydrophobicContact CD2-CB 3.69Å; L93-Q240 HydrophobicContact CD2-CG 3.64Å; Q236-Q240 PolarHBondContact O-N 2.99Å; Q236-Q240 VanDerWaalsContact O-N 3.11Å; L237-Q240 WeakPolarHBondContact O-CB 3.22Å; L237-Q240 PolarHBondContact O-N 2.98Å; S238-Q240 VanDerWaalsContact C-N 3.28Å; S238-Q240 PolarHBondContact O-N 3.07Å; Q240-V242 VanDerWaalsContact C-N 3.35Å; Q240-S244 WeakPolarHBondContact O-CB 3.3Å; Q240-S244 PolarHBondContact O-N 2.92Å; Q240-S244 PolarHBondContact O-OG 3.46Å
241C98.6Very high98.6Very high90 Ų9065.8 Ų65.861%0.60834%0.337SS*.Hα-helixtrans-62.4-44.1173.6-63.10000111.3L237 S238 Q239 S244 D245L237-C241 PolarHBondContact O-N 2.86Å; L237-C241 PolarHBondContact O-SG 3.09Å; S238-C241 WeakPolarHBondContact O-CB 3.44Å; S238-C241 PolarHBondContact O-N 3.15Å; Q239-C241 VanDerWaalsContact C-N 3.29Å; Q239-C241 PolarHBondContact O-N 2.94Å; C241-S244 PolarHBondContact O-N 3.35Å; C241-D245 PolarHBondContact O-N 3.33Å
242V98.8Very high98.6Very high73 Ų7363.3 Ų63.344%0.44233%0.327SS..Hα-helixtrans-63.5-50.1178177.60000110.9S238 Q239 Q240 S244 D245 E246S238-V242 PolarHBondContact O-N 3.47Å; Q239-V242 PolarHBondContact O-N 3Å; Q239-V242 VanDerWaalsContact O-N 3.17Å; Q240-V242 VanDerWaalsContact C-N 3.35Å; V242-S244 PolarHBondContact O-N 3.05Å; V242-D245 PolarHBondContact O-N 3.09Å; V242-D245 VanDerWaalsContact O-N 3.14Å; V242-E246 WeakPolarHBondContact O-CG 3.33Å; V242-E246 PolarHBondContact O-N 3.29Å
243T98.6Very high98.6Very high38 Ų3866.7 Ų66.723%0.23333%0.334CS..Hα-helixtrans-56.4-41.8177.2-56.30000111.3Q239 E246 L247Q239-T243 PolarHBondContact O-N 3.43Å; Q239-T243 PolarHBondContact O-OG1 3.48Å; Q239-T243 VanDerWaalsContact O-OG1 3.1Å; T243-E246 PolarHBondContact O-N 3.04Å; T243-L247 HydrophobicContact CG2-CD1 4.23Å; T243-L247 VanDerWaalsContact O-CG 3.29Å; T243-L247 WeakPolarHBondContact O-CG 3.47Å; T243-L247 PolarHBondContact O-N 2.92Å
244S98.4Very high98.6Very high9 Ų966.6 Ų66.66%0.06334%0.335CS..Hα-helixtrans-66.4-41.3179.8-55.60000111.7Q240 C241 V242 L247 Y248Q240-S244 WeakPolarHBondContact O-CB 3.3Å; Q240-S244 PolarHBondContact O-N 2.92Å; Q240-S244 PolarHBondContact O-OG 3.46Å; C241-S244 PolarHBondContact O-N 3.35Å; V242-S244 PolarHBondContact O-N 3.05Å; S244-L247 PolarHBondContact O-N 2.67Å; S244-Y248 WeakPolarHBondContact O-CD2 3.42Å; S244-Y248 WeakPolarHBondContact O-CE2 3.36Å; S244-Y248 PolarHBondContact O-N 2.98Å
245D98.8Very high98.6Very high91 Ų9166.3 Ų66.349%0.48733%0.334SS..Hα-helixtrans-61.3-43.5177-171.558000112C241 V242 L247 Y248 E249C241-D245 PolarHBondContact O-N 3.33Å; V242-D245 PolarHBondContact O-N 3.09Å; V242-D245 VanDerWaalsContact O-N 3.14Å; D245-L247 PolarHBondContact O-N 2.99Å; D245-Y248 PolarHBondContact O-N 3.11Å; D245-E249 PolarHBondContact O-N 3.48Å
246E98.8Very high98.6Very high110 Ų11069.6 Ų69.651%0.51435%0.347SS..Hα-helixtrans-58.9-44.5175.9-69.9174.216900112V242 T243 E249 E250V242-E246 WeakPolarHBondContact O-CG 3.33Å; V242-E246 PolarHBondContact O-N 3.29Å; T243-E246 PolarHBondContact O-N 3.04Å; E246-E249 WeakPolarHBondContact O-CB 3.47Å; E246-E249 PolarHBondContact O-N 2.97Å; E246-E250 PolarHBondContact O-N 2.97Å
247L98.7Very high98.5Very high22 Ų2274.1 Ų74.112%0.11537%0.368CS..Hα-helixtrans-67.3-36.6178.6-64.1169.4000112.1H85 V86 T243 S244 D245 E249 E250H85-L247 HydrophobicContact CB-CD1 4.05Å; H85-L247 HydrophobicContact CB-CD2 3.94Å; V86-L247 HydrophobicContact CB-CD1 4.38Å; V86-L247 HydrophobicContact CG2-CB 3.9Å; V86-L247 HydrophobicContact CG2-CD1 3.6Å; V86-L247 HydrophobicContact CG2-CG 4.41Å; T243-L247 HydrophobicContact CG2-CD1 4.23Å; T243-L247 VanDerWaalsContact O-CG 3.29Å; T243-L247 WeakPolarHBondContact O-CG 3.47Å; T243-L247 PolarHBondContact O-N 2.92Å; S244-L247 PolarHBondContact O-N 2.67Å; D245-L247 PolarHBondContact O-N 2.99Å; L247-E249 VanDerWaalsContact C-N 3.31Å; L247-E250 PolarHBondContact O-N 3.32Å
248Y98.6Very high98.5Very high100 Ų10074 Ų7439%0.39237%0.37SS..Hα-helixtrans-66.6-35.7173.9-59.2-32.2000112V86 S244 D245 E250 V251 R252V86-Y248 HydrophobicContact CG2-CD1 4.4Å; V86-Y248 HydrophobicContact CG2-CE1 3.76Å; S244-Y248 WeakPolarHBondContact O-CD2 3.42Å; S244-Y248 WeakPolarHBondContact O-CE2 3.36Å; S244-Y248 PolarHBondContact O-N 2.98Å; D245-Y248 PolarHBondContact O-N 3.11Å; Y248-E250 VanDerWaalsContact C-N 3.31Å; Y248-E250 PolarHBondContact O-N 3Å; Y248-V251 WeakPolarHBondContact O-CB 3.45Å; Y248-V251 PolarHBondContact O-N 3.42Å; Y248-V251 VanDerWaalsContact O-N 3.16Å; Y248-R252 PolarHBondContact O-N 3.35Å; Y248-R252 VanDerWaalsContact O-N 3.15Å
249E98.7Very high98.5Very high62 Ų6274.1 Ų74.129%0.2937%0.365SS..Hα-helixtrans-67.1-30.6176.9-171.754.8-151.400112.7D245 E246 L247 V251 R252 R253D245-E249 PolarHBondContact O-N 3.48Å; E246-E249 WeakPolarHBondContact O-CB 3.47Å; E246-E249 PolarHBondContact O-N 2.97Å; L247-E249 VanDerWaalsContact C-N 3.31Å; E249-V251 VanDerWaalsContact C-N 3.31Å; E249-V251 PolarHBondContact O-N 3.11Å; E249-R252 PolarHBondContact O-N 2.94Å; E249-R252 WeakPolarHBondContact OE2-CD 3.48Å; E249-R252 IonicContact OE2-CZ 2.77Å; E249-R252 IonicContact OE2-NH1 3.74Å; E249-R252 PolarHBondContact OE2-NH1 3.06Å; E249-R253 WeakPolarHBondContact O-CB 3.48Å; E249-R253 WeakPolarHBondContact O-CG 3.32Å; E249-R253 PolarHBondContact O-N 3.39Å; E249-R253 PolarHBondContact O-NE 3.32Å
250E98.6Very high98.4Very high83 Ų8375.6 Ų75.639%0.38838%0.375SS..Hα-helixtrans-63.2-36.7170.6-68.5-175.1-175.100112.5Q82 E246 L247 Y248 S254Q82-E250 HydrophobicContact CG-CB 4.18Å; Q82-E250 PolarHBondContact NE2-OE2 3.41Å; Q82-E250 PolarHBondContact OE1-OE2 2.87Å; E246-E250 PolarHBondContact O-N 2.97Å; L247-E250 PolarHBondContact O-N 3.32Å; Y248-E250 VanDerWaalsContact C-N 3.31Å; Y248-E250 PolarHBondContact O-N 3Å; E250-S254 PolarHBondContact O-N 2.77Å; E250-S254 VanDerWaalsContact O-N 3.11Å
251V98.7Very high98.4Very high16 Ų1680.1 Ų80.110%0.09740%0.396CS..Hα-helixtrans-66.3-45.5174.8-176.40000111F79 Q82 Y248 E249 R253 S254 L255F79-V251 HydrophobicContact CB-CG1 3.88Å; F79-V251 HydrophobicContact CD2-CG1 3.93Å; F79-V251 HydrophobicContact CD2-CG2 4.35Å; F79-V251 HydrophobicContact CG-CG1 4.34Å; Q82-V251 HydrophobicContact CB-CG2 3.57Å; Q82-V251 HydrophobicContact CG-CG2 3.65Å; Y248-V251 WeakPolarHBondContact O-CB 3.45Å; Y248-V251 PolarHBondContact O-N 3.42Å; Y248-V251 VanDerWaalsContact O-N 3.16Å; E249-V251 VanDerWaalsContact C-N 3.31Å; E249-V251 PolarHBondContact O-N 3.11Å; V251-R253 PolarHBondContact O-N 2.68Å; V251-S254 WeakPolarHBondContact O-CB 3.44Å; V251-S254 PolarHBondContact O-N 3.34Å; V251-S254 VanDerWaalsContact O-N 3.17Å; V251-L255 HydrophobicContact CG1-CD1 4.07Å; V251-L255 HydrophobicContact CG1-CG 4.49Å; V251-L255 WeakPolarHBondContact O-CG 3.48Å; V251-L255 PolarHBondContact O-N 3.04Å
252R98.8Very high98.4Very high116 Ų11679.6 Ų79.644%0.43839%0.385SS..Hα-helixtrans-59.6-46.6178.5-65.4-174-161.1118.83.1111.3Y248 E249 S254 L255 E256Y248-R252 PolarHBondContact O-N 3.35Å; Y248-R252 VanDerWaalsContact O-N 3.15Å; E249-R252 PolarHBondContact O-N 2.94Å; E249-R252 WeakPolarHBondContact OE2-CD 3.48Å; E249-R252 IonicContact OE2-CZ 2.77Å; E249-R252 IonicContact OE2-NH1 3.74Å; E249-R252 PolarHBondContact OE2-NH1 3.06Å; R252-S254 VanDerWaalsContact C-N 3.27Å; R252-S254 PolarHBondContact O-N 3.24Å; R252-L255 WeakPolarHBondContact O-CB 3.47Å; R252-L255 PolarHBondContact O-N 2.94Å; R252-E256 WeakPolarHBondContact O-CG 3.45Å; R252-E256 PolarHBondContact O-N 3.42Å
253R98.6Very high98.3Very high122 Ų12277.3 Ų77.346%0.4637%0.37SS..Hα-helixtrans-59.9-34.6176-75.3-174.3-81.2-163.2-3.6113.3E249 V251 Q257E249-R253 WeakPolarHBondContact O-CB 3.48Å; E249-R253 WeakPolarHBondContact O-CG 3.32Å; E249-R253 PolarHBondContact O-N 3.39Å; E249-R253 PolarHBondContact O-NE 3.32Å; V251-R253 PolarHBondContact O-N 2.68Å; R253-Q257 WeakPolarHBondContact O-CG 3.27Å
254S98.4Very high98.3Very high14 Ų1480.1 Ų80.110%0.09838%0.382CS..Hα-helixtrans-68.6-42.7172.3-170.70000111.6S75 E250 V251 R252 E256 Q257S75-S254 WeakPolarHBondContact CA-OG 3.47Å; S75-S254 VanDerWaalsContact OG-C 3.26Å; S75-S254 PolarHBondContact OG-O 3.15Å; S75-S254 PolarHBondContact OG-OG 3.15Å; E250-S254 PolarHBondContact O-N 2.77Å; E250-S254 VanDerWaalsContact O-N 3.11Å; V251-S254 WeakPolarHBondContact O-CB 3.44Å; V251-S254 PolarHBondContact O-N 3.34Å; V251-S254 VanDerWaalsContact O-N 3.17Å; R252-S254 VanDerWaalsContact C-N 3.27Å; R252-S254 PolarHBondContact O-N 3.24Å; S254-E256 VanDerWaalsContact C-N 3.29Å; S254-E256 PolarHBondContact O-N 3.15Å; S254-Q257 WeakPolarHBondContact O-CB 3.27Å; S254-Q257 PolarHBondContact O-N 3.43Å
255L98.4Very high98.3Very high85 Ų8584.4 Ų84.445%0.44540%0.401SS..Hα-helixtrans-63.8-33.7179.3-71.5166.2000112.7V251 R252 Q257 C258V251-L255 HydrophobicContact CG1-CD1 4.07Å; V251-L255 HydrophobicContact CG1-CG 4.49Å; V251-L255 WeakPolarHBondContact O-CG 3.48Å; V251-L255 PolarHBondContact O-N 3.04Å; R252-L255 WeakPolarHBondContact O-CB 3.47Å; R252-L255 PolarHBondContact O-N 2.94Å; L255-Q257 PolarHBondContact O-N 2.98Å; L255-C258 VanDerWaalsContact O-CB 3.28Å; L255-C258 WeakPolarHBondContact O-CB 3Å; L255-C258 PolarHBondContact O-N 3.25Å; L255-C258 PolarHBondContact O-SG 3.47Å
256E98.4Very high98.2Very high150 Ų15083.5 Ų83.570%0.70139%0.394SS*.THydrogen-bonded Turntrans-62.6-19.5172.6-70.8172.6168.600113.1R252 S254R252-E256 WeakPolarHBondContact O-CG 3.45Å; R252-E256 PolarHBondContact O-N 3.42Å; S254-E256 VanDerWaalsContact C-N 3.29Å; S254-E256 PolarHBondContact O-N 3.15Å
257Q97.3Very high98.1Very high133 Ų13383.4 Ų83.462%0.62139%0.392SS*.THydrogen-bonded Turntrans-90.70.4175.8-60173.512.500113.3R253 S254 L255 D259R253-Q257 WeakPolarHBondContact O-CG 3.27Å; S254-Q257 WeakPolarHBondContact O-CB 3.27Å; S254-Q257 PolarHBondContact O-N 3.43Å; L255-Q257 PolarHBondContact O-N 2.98Å; Q257-D259 PolarHBondContact O-N 3.33Å
258C97.4Very high98.1Very high40 Ų4085.9 Ų85.927%0.2741%0.408SS..  trans-68.4125.6173.6-69.20000110.4S75 L255S75-C258 VanDerWaalsContact CB-SG 3.58Å; S75-C258 PolarHBondContact OG-SG 3.01Å; L255-C258 VanDerWaalsContact O-CB 3.28Å; L255-C258 WeakPolarHBondContact O-CB 3Å; L255-C258 PolarHBondContact O-N 3.25Å; L255-C258 PolarHBondContact O-SG 3.47Å
259D97.8Very high98Very high75 Ų7586 Ų8640%0.40142%0.415SS..  trans-114.9108.1174.3-171.2-34.6000109.4T71 Q257 Q261 E262 D263T71-D259 HydrophobicContact CG2-CB 4.32Å; T71-D259 PolarHBondContact OG1-N 3.18Å; T71-D259 PolarHBondContact OG1-O 3.49Å; Q257-D259 PolarHBondContact O-N 3.33Å; D259-Q261 VanDerWaalsContact C-N 3.29Å; D259-Q261 PolarHBondContact O-N 3.04Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.46Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.46Å; D259-Q261 PolarHBondContact OD1-N 3.48Å; D259-E262 HydrophobicContact CB-CB 3.72Å; D259-E262 PolarHBondContact O-N 3.16Å; D259-E262 PolarHBondContact OD1-N 3.38Å; D259-D263 PolarHBondContact O-N 3.04Å
260I97.7Very high97.9Very high141 Ų14187.2 Ų87.272%0.72342%0.423SS*.Hα-helixtrans-62.5-39.7-178.1-60.1171000110.7D263 I264I260-D263 PolarHBondContact O-N 3.48Å; I260-I264 VanDerWaalsContact O-CG1 3.3Å; I260-I264 WeakPolarHBondContact O-CG1 2.83Å; I260-I264 PolarHBondContact O-N 2.8Å; I260-I264 VanDerWaalsContact O-N 3.11Å
261Q98.1Very high97.8Very high112 Ų11290 Ų9052%0.52343%0.43SS..Hα-helixtrans-70.5-43.8-177.8-177.460.931.800110.2D259 D263 I264 E265D259-Q261 VanDerWaalsContact C-N 3.29Å; D259-Q261 PolarHBondContact O-N 3.04Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.46Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.46Å; D259-Q261 PolarHBondContact OD1-N 3.48Å; Q261-D263 VanDerWaalsContact C-N 3.3Å; Q261-D263 PolarHBondContact O-N 2.82Å; Q261-I264 PolarHBondContact O-N 3.3Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.48Å; Q261-E265 PolarHBondContact NE2-OE1 2.62Å; Q261-E265 WeakPolarHBondContact O-CB 3.25Å; Q261-E265 WeakPolarHBondContact O-CG 3.42Å; Q261-E265 PolarHBondContact O-N 2.98Å
262E97.8Very high97.7Very high80 Ų8098 Ų9837%0.37446%0.459SS..Hα-helixtrans-58.6-41.7175.6-162.6-165.9144.400111.6N70 T71 R74 D259 E265 H266N70-E262 WeakPolarHBondContact ND2-CG 3.47Å; N70-E262 PolarHBondContact ND2-OE1 3.44Å; T71-E262 WeakPolarHBondContact CG2-OE2 3.34Å; R74-E262 IonicContact NH2-OE1 2.62Å; D259-E262 HydrophobicContact CB-CB 3.72Å; D259-E262 PolarHBondContact O-N 3.16Å; D259-E262 PolarHBondContact OD1-N 3.38Å; E262-E265 PolarHBondContact O-N 3.39Å; E262-H266 WeakPolarHBondContact O-CB 3.45Å; E262-H266 PolarHBondContact O-N 3.23Å
263D97.8Very high97.6Very high25 Ų2599.7 Ų99.713%0.13448%0.482CS..Hα-helixtrans-67.1-41.3179.3-78.310.7000112.4N70 T71 L72 D259 I260 Q261 H266 F267N70-D263 VanDerWaalsContact CB-OD1 3.27Å; N70-D263 WeakPolarHBondContact CB-OD1 3.43Å; T71-D263 VanDerWaalsContact CB-OD1 3.32Å; T71-D263 WeakPolarHBondContact CB-OD1 3.2Å; T71-D263 WeakPolarHBondContact CG2-OD1 3.48Å; T71-D263 PolarHBondContact N-OD1 2.84Å; T71-D263 PolarHBondContact OG1-OD1 3.48Å; T71-D263 PolarHBondContact OG1-OD2 3.49Å; T71-D263 VanDerWaalsContact OG1-OD2 3.06Å; L72-D263 VanDerWaalsContact CB-OD2 3.27Å; L72-D263 WeakPolarHBondContact CB-OD2 3.47Å; L72-D263 PolarHBondContact N-OD2 2.91Å; D259-D263 PolarHBondContact O-N 3.04Å; I260-D263 PolarHBondContact O-N 3.48Å; Q261-D263 VanDerWaalsContact C-N 3.3Å; Q261-D263 PolarHBondContact O-N 2.82Å; D263-H266 PolarHBondContact O-N 2.85Å; D263-F267 PolarHBondContact O-N 3.43Å
264I98.1Very high97.3Very high96 Ų9696.6 Ų96.649%0.49249%0.488SS..Hα-helixtrans-66-44.8175.6-66.4-63.4000110.9I260 Q261 H266 F267 V268I260-I264 VanDerWaalsContact O-CG1 3.3Å; I260-I264 WeakPolarHBondContact O-CG1 2.83Å; I260-I264 PolarHBondContact O-N 2.8Å; I260-I264 VanDerWaalsContact O-N 3.11Å; Q261-I264 PolarHBondContact O-N 3.3Å; I264-H266 VanDerWaalsContact C-N 3.33Å; I264-H266 PolarHBondContact O-N 3.37Å; I264-F267 PolarHBondContact O-N 3.26Å; I264-V268 HydrophobicContact CG2-CG2 4.49Å; I264-V268 WeakPolarHBondContact O-CG2 3.14Å; I264-V268 PolarHBondContact O-N 2.93Å
265E98.1Very high96.9Very high99 Ų99103 Ų10346%0.46352%0.521SS..Hα-helixtrans-61.5-43.2176-74.6177.6-169.900111.3Q261 E262 F267 V268 N269Q261-E265 WeakPolarHBondContact CG-OE1 3.48Å; Q261-E265 PolarHBondContact NE2-OE1 2.62Å; Q261-E265 WeakPolarHBondContact O-CB 3.25Å; Q261-E265 WeakPolarHBondContact O-CG 3.42Å; Q261-E265 PolarHBondContact O-N 2.98Å; E262-E265 PolarHBondContact O-N 3.39Å; E265-F267 VanDerWaalsContact C-N 3.33Å; E265-F267 PolarHBondContact O-N 3.42Å; E265-V268 PolarHBondContact O-N 2.87Å; E265-N269 VanDerWaalsContact O-CB 3.3Å; E265-N269 WeakPolarHBondContact O-CB 3.15Å; E265-N269 VanDerWaalsContact O-CG 3.27Å; E265-N269 PolarHBondContact O-N 3.44Å; E265-N269 PolarHBondContact O-ND2 2.68Å
266H97.7Very high96.7Very high72 Ų72106.9 Ų106.933%0.33354%0.535SS..Hα-helixtrans-57-47174.6-175.887.1000111.2N70 E262 D263 I264 L270N70-H266 HydrophobicContact CB-CB 4.17Å; E262-H266 WeakPolarHBondContact O-CB 3.45Å; E262-H266 PolarHBondContact O-N 3.23Å; D263-H266 PolarHBondContact O-N 2.85Å; I264-H266 VanDerWaalsContact C-N 3.33Å; I264-H266 PolarHBondContact O-N 3.37Å; H266-L270 VanDerWaalsContact O-CB 3.26Å; H266-L270 WeakPolarHBondContact O-CB 3.44Å; H266-L270 PolarHBondContact O-N 3.17Å
267F97.4Very high96.4Very high109 Ų109105.7 Ų105.748%0.47854%0.54SS..Hα-helixtrans-61.8-50.4177.6175.5-96.8000112.5M69 D263 I264 E265 N269 L270 R271M69-F267 HydrophobicContact SD-CD2 4.47Å; D263-F267 PolarHBondContact O-N 3.43Å; I264-F267 PolarHBondContact O-N 3.26Å; E265-F267 VanDerWaalsContact C-N 3.33Å; E265-F267 PolarHBondContact O-N 3.42Å; F267-N269 VanDerWaalsContact C-N 3.33Å; F267-N269 PolarHBondContact O-N 3.24Å; F267-L270 PolarHBondContact O-N 2.91Å; F267-L270 VanDerWaalsContact O-N 3.14Å; F267-R271 HydrophobicContact CD2-CG 4.03Å; F267-R271 HydrophobicContact CE1-CB 4.37Å; F267-R271 HydrophobicContact CE2-CB 4.17Å; F267-R271 HydrophobicContact CE2-CG 3.67Å; F267-R271 HydrophobicContact CZ-CB 4.05Å; F267-R271 HydrophobicContact CZ-CG 4.05Å; F267-R271 WeakPolarHBondContact O-CB 3.3Å; F267-R271 PolarHBondContact O-N 3.39Å
268V97.7Very high96.1Very high73 Ų73104 Ų10444%0.44255%0.549SS..Hα-helixtrans-58.8-47.1179.7171.40000110.2I264 E265 L270 R271 R272I264-V268 HydrophobicContact CG2-CG2 4.49Å; I264-V268 WeakPolarHBondContact O-CG2 3.14Å; I264-V268 PolarHBondContact O-N 2.93Å; E265-V268 PolarHBondContact O-N 2.87Å; V268-L270 PolarHBondContact O-N 3.14Å; V268-R271 PolarHBondContact O-N 2.94Å; V268-R272 WeakPolarHBondContact O-CA 3.46Å; V268-R272 WeakPolarHBondContact O-CB 3.4Å; V268-R272 WeakPolarHBondContact O-CG 3.26Å; V268-R272 PolarHBondContact O-N 2.82Å
269N96.5Very high95.8Very high103 Ų103106.1 Ų106.155%0.55157%0.569SS**Hα-helixtrans-61.3-35.1179.2-75.6-42.7000112.5E265 F267E265-N269 VanDerWaalsContact O-CB 3.3Å; E265-N269 WeakPolarHBondContact O-CB 3.15Å; E265-N269 VanDerWaalsContact O-CG 3.27Å; E265-N269 PolarHBondContact O-N 3.44Å; E265-N269 PolarHBondContact O-ND2 2.68Å; F267-N269 VanDerWaalsContact C-N 3.33Å; F267-N269 PolarHBondContact O-N 3.24Å
270L96.6Very high95.5Very high87 Ų87108.5 Ų108.546%0.45559%0.589SS.*Hα-helixtrans-81.5-28.9-179.2-170.767.7000113.9M69 H266 F267 V268M69-L270 HydrophobicContact CE-CD2 3.16Å; M69-L270 HydrophobicContact SD-CD2 4Å; H266-L270 VanDerWaalsContact O-CB 3.26Å; H266-L270 WeakPolarHBondContact O-CB 3.44Å; H266-L270 PolarHBondContact O-N 3.17Å; F267-L270 PolarHBondContact O-N 2.91Å; F267-L270 VanDerWaalsContact O-N 3.14Å; V268-L270 PolarHBondContact O-N 3.14Å
271R96.6Very high95Very high141 Ų141108.8 Ų108.853%0.53260%0.597SS.*Hα-helixtrans-119.5-1-171-65.5-66.2-168.8-93.9-8.2115.3F267 V268 T273F267-R271 HydrophobicContact CD2-CG 4.03Å; F267-R271 HydrophobicContact CE1-CB 4.37Å; F267-R271 HydrophobicContact CE2-CB 4.17Å; F267-R271 HydrophobicContact CE2-CG 3.67Å; F267-R271 HydrophobicContact CZ-CB 4.05Å; F267-R271 HydrophobicContact CZ-CG 4.05Å; F267-R271 WeakPolarHBondContact O-CB 3.3Å; F267-R271 PolarHBondContact O-N 3.39Å; V268-R271 PolarHBondContact O-N 2.94Å; R271-T273 PolarHBondContact O-N 3.04Å
272R96.1Very high94.5Very high184 Ų184106 Ų10669%0.69459%0.593SS**  trans-54.4136.5178.559.8-177-171.4174.73111.9V268V268-R272 WeakPolarHBondContact O-CA 3.46Å; V268-R272 WeakPolarHBondContact O-CB 3.4Å; V268-R272 WeakPolarHBondContact O-CG 3.26Å; V268-R272 PolarHBondContact O-N 2.82Å
273T96.6Very high93.8Very high152 Ų152111.2 Ų111.293%0.93361%0.61SS**  trans-110.5-6.4-17753.60000113.6R271R271-T273 PolarHBondContact O-N 3.04Å
274G91.9Very high93Very high57 Ų57116.2 Ų116.259%0.58863%0.633SS**  trans159.3160.6-178.700000110.3
275D91.9Very high92.2Very high148 Ų148114.3 Ų114.379%0.79162%0.624SS**SBendtrans-108.6-1179.665.6-31.5000112.5
276K93Very high91.2Very high168 Ų168118.4 Ų118.473%0.7364%0.64SS**SBendtrans-130135.6-178.3-64.5177.6-172.3177.40111
277P91.5Very high90Very high124 Ų124124.8 Ų124.881%0.80566%0.663SS**PPolyproline II helixtrans-66.6160.9172.929.5-34.4000111.1A279P277-A279 PolarHBondContact O-N 3.45Å
278A92.3Very high88.5Confident98 Ų98123.9 Ų123.981%0.8167%0.667SS**PPolyproline II helixtrans-57.6135.2174.100000110.5
279A90.7Very high86.6Confident85 Ų85123.8 Ų123.870%0.70268%0.68SS**PPolyproline II helixtrans-63.8143.8177.300000110.5P277 V281P277-A279 PolarHBondContact O-N 3.45Å; A279-V281 PolarHBondContact O-N 3.29Å
280P90.6Very high84.8Confident125 Ų125125.8 Ų125.881%0.81269%0.69SS**PPolyproline II helixtrans-55.6139.8173.1-23.933.5000111.5A282P280-A282 PolarHBondContact O-N 3.33Å
281V88.9Confident82.9Confident147 Ų147131.7 Ų131.789%0.89171%0.707SS**PPolyproline II helixtrans-72.3116.3175.9-1770000108.8A279A279-V281 PolarHBondContact O-N 3.29Å
282A86.1Confident80.9Confident53 Ų53127.5 Ų127.544%0.43870%0.699SS.*PPolyproline II helixtrans-81.9143.517300000110.6P280 E284P280-A282 PolarHBondContact O-N 3.33Å; A282-E284 PolarHBondContact O-N 3.5Å
283Y83.1Confident79Confident190 Ų190125 Ų12575%0.74571%0.707SS**PPolyproline II helixtrans-68.5124.3171.8170.3-106.9000110.1N285Y283-N285 HydrophobicContact CE1-CB 3.71Å; Y283-N285 PolarHBondContact OH-ND2 2.93Å
284E82.6Confident77Confident130 Ų130124 Ų12461%0.60770%0.7SS**  trans-112113.9174.2-64.8-171.3179.400109.7A282A282-E284 PolarHBondContact O-N 3.5Å
285N80.5Confident75.2Confident56 Ų56124.2 Ų124.230%0.29970%0.702SS.*  trans-81.4123.1176.8-177.8-66.5000110.4Y283 Y287 T288Y283-N285 HydrophobicContact CE1-CB 3.71Å; Y283-N285 PolarHBondContact OH-ND2 2.93Å; N285-Y287 PolarHBondContact O-N 3.05Å; N285-Y287 PolarHBondContact OD1-N 3.46Å; N285-T288 WeakPolarHBondContact CB-OG1 3.01Å; N285-T288 PolarHBondContact O-N 3.33Å; N285-T288 PolarHBondContact OD1-N 3.33Å; N285-T288 PolarHBondContact OD1-OG1 3.42Å
286F77.3Confident73.4Confident185 Ų185122.9 Ų122.981%0.81170%0.701SS**THydrogen-bonded Turntrans-58.8-29.4-176.5-174.7-95.3000114
287Y72.3Confident71.5Confident206 Ų206120 Ų12081%0.80870%0.7SS**THydrogen-bonded Turntrans-95.2-22.2-171.4-63.7-77.6000114.1N285N285-Y287 PolarHBondContact O-N 3.05Å; N285-Y287 PolarHBondContact OD1-N 3.46Å
288T65.1Low69.4Low90 Ų90119.4 Ų119.455%0.55270%0.696SS**THydrogen-bonded Turntrans-95-2.9-173.747.30000115.2N285 L290N285-T288 WeakPolarHBondContact CB-OG1 3.01Å; N285-T288 PolarHBondContact O-N 3.33Å; N285-T288 PolarHBondContact OD1-N 3.33Å; N285-T288 PolarHBondContact OD1-OG1 3.42Å; T288-L290 PolarHBondContact O-N 3.49Å
289G58.9Low67.3Low71 Ų71119.2 Ų119.273%0.73269%0.689SS**  trans61-1.6172.500000117R291G289-R291 PolarHBondContact O-N 3.28Å
290L59.1Low65.6Low145 Ų145127 Ų12776%0.75970%0.7SS**  trans-75.593.8178.3-79.4157.2000109.7T288T288-L290 PolarHBondContact O-N 3.49Å
291R56.5Low63.8Low211 Ų211126.1 Ų126.180%0.79669%0.692SS**  trans-70132.6166.3-81.1-176.7171.8-176.4-1.5109.8G289G289-R291 PolarHBondContact O-N 3.28Å
292S54.4Low62.1Low53 Ų53124.2 Ų124.237%0.37168%0.683SS.*  trans-63.1144.8174.4-83.70000111.4T294S292-T294 PolarHBondContact O-N 3.2Å; S292-T294 VanDerWaalsContact O-N 3.12Å
293P55.4Low60.6Low132 Ų132127 Ų12786%0.85770%0.697SS**THydrogen-bonded Turntrans-73.1-1.2-172.6-15.730.3000115.9
294T55.6Low59.1Low131 Ų131123.4 Ų123.480%0.80470%0.696SS**THydrogen-bonded Turntrans-116.618.7-160.352.80000116S292S292-T294 PolarHBondContact O-N 3.2Å; S292-T294 VanDerWaalsContact O-N 3.12Å
295G52.8Low57.7Low60 Ų60122 Ų12262%0.61971%0.706SS**  trans-115.5132.6173.800000112.8
296P55.4Low56.2Low120 Ų120125 Ų12578%0.77973%0.727SS**  trans-64.3150.2166.119.1-13.6000109.5
297P52.5Low54.9Low109 Ų109127.6 Ų127.671%0.70873%0.731SS**  trans-60148.317925.6-31.7000109.8S299P297-S299 PolarHBondContact O-N 2.98Å
298P48.3Very low53.9Low111 Ų111128.3 Ų128.372%0.72173%0.733SS**  trans-61.1110.9175.224.3-30.1000108.1R300P298-R300 PolarHBondContact O-N 3.4Å
299S48Very low53.6Low94 Ų94126.7 Ų126.766%0.65773%0.733SS**  trans-55.4104.3166.11550000107.7P297 V301P297-S299 PolarHBondContact O-N 2.98Å; S299-V301 PolarHBondContact O-N 3.12Å; S299-V301 WeakPolarHBondContact OG-CG2 3.46Å
300R54.1Low53.8Low249 Ų249129.4 Ų129.494%0.9474%0.738SS**  trans-71.762.6164.4-75.3-174.3176.8-164.2-0.1108.8P298P298-R300 PolarHBondContact O-N 3.4Å
301V53.7Low53.6Low106 Ų106130 Ų13064%0.64274%0.741SS**PPolyproline II helixtrans-95.5124.1164-178.10000104.9S299S299-V301 PolarHBondContact O-N 3.12Å; S299-V301 WeakPolarHBondContact OG-CG2 3.46Å
302P52.9Low53.4Low106 Ų106125.5 Ų125.569%0.68874%0.739SS**PPolyproline II helixtrans-53.2144.6172.1-17.228.4000108.4
303P54.7Low53.6Low113 Ų113127.2 Ų127.273%0.73475%0.745SS**PPolyproline II helixtrans-51.3140.2174.223.7-33.9000108.8A305P303-A305 PolarHBondContact O-N 2.73Å; P303-A305 VanDerWaalsContact O-N 3.14Å
304P51.3Low53.5Low114 Ų114127.2 Ų127.274%0.7474%0.744SS**PPolyproline II helixtrans-51.9130.7168.9-12.221.5000106.5V306P304-V306 PolarHBondContact O-N 3.07Å
305A53.1Low53.5Low99 Ų99126.3 Ų126.382%0.81874%0.739SS**  trans-64.680.7171.600000107.9P303 R307P303-A305 PolarHBondContact O-N 2.73Å; P303-A305 VanDerWaalsContact O-N 3.14Å; A305-R307 PolarHBondContact O-N 2.9Å
306V49.1Very low53.2Low121 Ų121130.7 Ų130.773%0.73374%0.743SS**  trans-60.3100.6152.7-177.50000102.7P304 R308P304-V306 PolarHBondContact O-N 3.07Å; V306-R308 PolarHBondContact O-N 3.14Å
307R50.1Low53.1Low238 Ų238132.8 Ų132.890%0.89875%0.748SS**  trans-55.194.2158.8-83.3-172.9-178.3-163.21.2104.7A305 G309A305-R307 PolarHBondContact O-N 2.9Å; R307-G309 PolarHBondContact O-N 2.67Å
308R50.1Low52.6Low222 Ų222134.5 Ų134.584%0.83875%0.751SS**PPolyproline II helixtrans-53.5116.5150.8-83.9-172.7-179-153.3-0.1103.7V306V306-R308 PolarHBondContact O-N 3.14Å
309G59.4Low52.6Low55 Ų55140.5 Ų140.557%0.56776%0.759SS**PPolyproline II helixtrans-51.4155.4161.300000108.7R307 L311R307-G309 PolarHBondContact O-N 2.67Å; G309-L311 PolarHBondContact O-N 2.9Å
310P63.1Low52.6Low129 Ų129143.2 Ų143.284%0.83877%0.767SS**PPolyproline II helixtrans-51.2140.3-179.8-20.431.9000110
311L54.8Low52.3Low156 Ų156139.5 Ų139.582%0.81777%0.766SS**PPolyproline II helixtrans-54.8134.8164.1-83.4152.1000107.6G309 D313G309-L311 PolarHBondContact O-N 2.9Å; L311-D313 PolarHBondContact O-N 3.18Å
312P51.7Low51.4Low117 Ų117138.3 Ų138.376%0.7677%0.767SS**PPolyproline II helixtrans-59.2128.8176.214.2-18.4000109.5P314P312-P314 WeakPolarHBondContact O-CD 3.33Å
313D59.2Low50.8Low90 Ų90145.4 Ų145.448%0.48178%0.78SS.*PPolyproline II helixtrans-69.5120.5177.1-174-18.1000109L311 T315L311-D313 PolarHBondContact O-N 3.18Å; D313-T315 PolarHBondContact O-N 3.06Å; D313-T315 WeakPolarHBondContact OD1-CB 3.5Å; D313-T315 PolarHBondContact OD1-N 3.27Å; D313-T315 PolarHBondContact OD1-OG1 2.88Å; D313-T315 PolarHBondContact OD2-OG1 3.05Å
314P54.2Low50Low131 Ų131147.7 Ų147.785%0.85178%0.78SS**THydrogen-bonded Turntrans-64.8-7.7178.2-16.129.4000114P312P312-P314 WeakPolarHBondContact O-CD 3.33Å
315T54.2Low49.4Very low113 Ų113147.8 Ų147.869%0.69378%0.784SS**THydrogen-bonded Turntrans-106.7-1.6-17464.30000115.3D313 N317D313-T315 PolarHBondContact O-N 3.06Å; D313-T315 WeakPolarHBondContact OD1-CB 3.5Å; D313-T315 PolarHBondContact OD1-N 3.27Å; D313-T315 PolarHBondContact OD1-OG1 2.88Å; D313-T315 PolarHBondContact OD2-OG1 3.05Å; T315-N317 PolarHBondContact O-N 3.39Å
316Q46.9Very low48.7Very low151 Ų151150.2 Ų150.271%0.70678%0.782SS**  trans-88.480.3169.1-77.7-166.9-7.700111.6N318Q316-N318 PolarHBondContact O-N 3.39Å
317N53Low48.2Very low165 Ų165150.1 Ų150.188%0.88278%0.782SS**  trans-66.487.2154.3-107.6-10.7000108.4T315T315-N317 PolarHBondContact O-N 3.39Å
318N42.6Very low47.5Very low144 Ų144147.6 Ų147.677%0.7778%0.78SS**  trans-113.5127.1161.1-111.8-10000109.1Q316 D320Q316-N318 PolarHBondContact O-N 3.39Å; N318-D320 VanDerWaalsContact C-N 3.34Å; N318-D320 PolarHBondContact O-N 2.67Å
319R49.1Very low47Very low237 Ų237144 Ų14489%0.89478%0.777SS**THydrogen-bonded Turntrans-82.510.2-151.3-115.4179.4178.1-176.4-1.4116.4
320D48.1Very low46Very low152 Ų152144.5 Ų144.581%0.81378%0.782SS**THydrogen-bonded Turntrans-127.26.1-161.7-77.3-34.9000118.6N318N318-D320 VanDerWaalsContact C-N 3.34Å; N318-D320 PolarHBondContact O-N 2.67Å
321D46.8Very low44.7Very low171 Ų171146.1 Ų146.191%0.91478%0.784SS**  trans-14969.5175.1-99.7-34.5000114.6
322A36.2Very low43.9Very low81 Ų81149.5 Ų149.567%0.66979%0.788SS**  trans-130.786.2169.100000111H324A322-H324 VanDerWaalsContact C-N 3.28Å; A322-H324 PolarHBondContact O-N 2.95Å
323R39.2Very low43.4Very low255 Ų255149.2 Ų149.296%0.96279%0.788SS**  trans-89.172.1157.8-77.1-171.4169.6-173.5-2109.2S325R323-S325 PolarHBondContact O-N 2.87Å
324H38.4Very low42.4Very low160 Ų160150.5 Ų150.574%0.74180%0.799SS**  trans-67.2125.7158-70.5-63.5000108A322 L326A322-H324 VanDerWaalsContact C-N 3.28Å; A322-H324 PolarHBondContact O-N 2.95Å; H324-L326 VanDerWaalsContact C-N 3.32Å; H324-L326 PolarHBondContact O-N 2.99Å
325S39Very low41.7Very low116 Ų116151 Ų15181%0.81179%0.793SS**  trans-65.297167.2-171.80000107.4R323 V327R323-S325 PolarHBondContact O-N 2.87Å; S325-V327 PolarHBondContact O-N 3.4Å
326L37.8Very low40.8Very low151 Ų151154 Ų15479%0.79180%0.799SS**  trans-75.2106.1163.4-76.5162.7000106.3H324 Q328H324-L326 VanDerWaalsContact C-N 3.32Å; H324-L326 PolarHBondContact O-N 2.99Å; L326-Q328 VanDerWaalsContact C-N 3.3Å; L326-Q328 PolarHBondContact O-N 2.91Å
327V37.7Very low40.7Very low119 Ų119160.6 Ų160.672%0.72182%0.82SS**  trans-63.9100.6155.5178.20000105.5S325 D329S325-V327 PolarHBondContact O-N 3.4Å; V327-D329 PolarHBondContact O-N 3.27Å
328Q36.2Very low40Very low185 Ų185160.4 Ų160.486%0.86482%0.817SS**  trans-85.1101163.2-108.9178.1-12.100106.8L326L326-Q328 VanDerWaalsContact C-N 3.3Å; L326-Q328 PolarHBondContact O-N 2.91Å
329D39.8Very low39.9Very low146 Ų146161.2 Ų161.278%0.78182%0.819SS**  trans-71.5130.3158.1-83.8-36.5000108.8V327V327-D329 PolarHBondContact O-N 3.27Å
330G37.2Very low39.4Very low65 Ų65157 Ų15767%0.6782%0.815SS**  trans150.176.9167.200000114
331D36.3Very low38.9Very low164 Ų164157.3 Ų157.388%0.87782%0.815SS**  trans-178.476.7134.1-90.4-15.5000110.2S333D331-S333 PolarHBondContact O-N 3.19Å
332Y39.3Very low38.4Very low226 Ų226156.4 Ų156.489%0.88681%0.809SS**  trans-73.297.8156.9-85.3-86.8000107.8V334Y332-V334 PolarHBondContact O-N 3.5Å
333S41.3Very low38.5Very low111 Ų111161.5 Ų161.578%0.77682%0.818SS**  trans-76111.2165.4-161.50000108.6D331 I335D331-S333 PolarHBondContact O-N 3.19Å; S333-I335 PolarHBondContact O-N 2.8Å
334V37.5Very low38.5Very low117 Ų117154.8 Ų154.871%0.70981%0.808SS**  trans-76.5110.5174.2-179.80000108.2Y332 Q336Y332-V334 PolarHBondContact O-N 3.5Å; V334-Q336 HydrophobicContact CG1-CG 4.25Å
335I39.2Very low38.5Very low141 Ų141154.4 Ų154.472%0.72381%0.813SS**  trans-82.5111.3161.5-62.2177.5000106.7S333S333-I335 PolarHBondContact O-N 2.8Å
336Q36.1Very low38.5Very low176 Ų176157.6 Ų157.682%0.82281%0.813SS**  trans-78.4131.3164.6-72.7-177.6-26.300108.8V334V334-Q336 HydrophobicContact CG1-CG 4.25Å
337Y43.2Very low38.5Very low290 Ų290158.2 Ų158.2100%1.13782%0.815SS**  trans-90.70160.8-83.1-81.8000109.9

Retrieved 337 of 337 residues in 597.2 ms (Link to these results)

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