A0A077ZG36_TRITR Loading...

ABC-type glutathione-S-conjugate transporter

AlphaFold DB , UniProt , Accession A0A077ZG36, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,456 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
1M68.3Low69.9Low80 Ų8074.5 Ų74.539%0.39438%0.384SS..  0-64.40-163.5170.783.100112.3I3 F4 L5 A24 L27M1-I3 PolarHBondContact O-N 2.92Å; M1-F4 WeakPolarHBondContact O-CB 3.15Å; M1-F4 PolarHBondContact O-N 3.32Å; M1-F4 VanDerWaalsContact O-N 3.1Å; M1-L5 HydrophobicContact CG-CD1 4.23Å; M1-L5 PolarHBondContact O-N 3.13Å; M1-A24 HydrophobicContact CE-CB 3.55Å; M1-L27 HydrophobicContact CE-CD2 3.86Å
2W73.5Confident69.5Low75 Ų7573.8 Ų73.828%0.28441%0.408SS..Hα-helixtrans-57.8-47.4-178.1-175.874.3000113.7F4 L5 L6 F21 L25W2-F4 VanDerWaalsContact C-N 3.29Å; W2-F4 PolarHBondContact O-N 3.39Å; W2-L5 PolarHBondContact O-N 3.19Å; W2-L6 HydrophobicContact CH2-CD2 4.15Å; W2-L6 HydrophobicContact CZ3-CD2 4.28Å; W2-L6 VanDerWaalsContact O-CB 3.31Å; W2-L6 WeakPolarHBondContact O-CB 3.48Å; W2-L6 PolarHBondContact O-N 3.27Å; W2-F21 AromaticContact CD1-CE2 3.94Å; W2-F21 AromaticContact CE2-CZ 3.92Å; W2-F21 HydrophobicContact CZ2-CE2 4.46Å; W2-F21 HydrophobicContact CZ2-CZ 4.05Å; W2-F21 AromaticContact NE1-CE2 3.31Å; W2-F21 VanDerWaalsContact NE1-CE2 3.31Å; W2-F21 AromaticContact NE1-CZ 3.31Å; W2-F21 VanDerWaalsContact NE1-CZ 3.31Å; W2-L25 HydrophobicContact CZ2-CD1 4.25Å
3I74.6Confident68Low126 Ų12679.2 Ų79.265%0.64643%0.428SS*.Hα-helixtrans-61.3-35.8175.6-62.2172.6000112.1M1 L6 S7M1-I3 PolarHBondContact O-N 2.92Å; I3-L6 PolarHBondContact O-N 3.5Å; I3-S7 WeakPolarHBondContact O-CB 3.35Å; I3-S7 PolarHBondContact O-N 3.5Å
4F68.8Low66.8Low81 Ų8178.2 Ų78.236%0.35543%0.43SS..Hα-helixtrans-67.9-44.5177.6-177.5-91.7000111.2M1 W2 L6 S7 N8 P84M1-F4 WeakPolarHBondContact O-CB 3.15Å; M1-F4 PolarHBondContact O-N 3.32Å; M1-F4 VanDerWaalsContact O-N 3.1Å; W2-F4 VanDerWaalsContact C-N 3.29Å; W2-F4 PolarHBondContact O-N 3.39Å; F4-L6 VanDerWaalsContact C-N 3.34Å; F4-S7 PolarHBondContact O-N 3.04Å; F4-N8 WeakPolarHBondContact CE1-ND2 3.48Å; F4-N8 WeakPolarHBondContact O-CB 3.43Å; F4-N8 PolarHBondContact O-N 3.11Å; F4-P84 HydrophobicContact CD1-CG 4.01Å; F4-P84 HydrophobicContact CE1-CG 3.66Å
5L70.1Confident66Low17 Ų1783.3 Ų83.39%0.08946%0.464CS..Hα-helixtrans-64.4-40.2173.9-68.6171.1000111.4M1 W2 K9 T16 A24M1-L5 HydrophobicContact CG-CD1 4.23Å; M1-L5 PolarHBondContact O-N 3.13Å; W2-L5 PolarHBondContact O-N 3.19Å; L5-K9 WeakPolarHBondContact O-CB 3.42Å; L5-K9 PolarHBondContact O-N 3.13Å; L5-T16 HydrophobicContact CD2-CG2 3.81Å; L5-A24 HydrophobicContact CD1-CB 3.73Å
6L69.4Low65.3Low53 Ų5379.9 Ų79.928%0.27745%0.446SS..Hα-helixtrans-63.4-45.1174.7-171.876.2000110.9W2 I3 F4 K9 L10 F21W2-L6 HydrophobicContact CH2-CD2 4.15Å; W2-L6 HydrophobicContact CZ3-CD2 4.28Å; W2-L6 VanDerWaalsContact O-CB 3.31Å; W2-L6 WeakPolarHBondContact O-CB 3.48Å; W2-L6 PolarHBondContact O-N 3.27Å; I3-L6 PolarHBondContact O-N 3.5Å; F4-L6 VanDerWaalsContact C-N 3.34Å; L6-K9 PolarHBondContact O-N 3.27Å; L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 HydrophobicContact CG-CD1 3.86Å; L6-L10 HydrophobicContact CG-CG 4.41Å; L6-L10 VanDerWaalsContact O-CB 3.28Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 WeakPolarHBondContact O-CG 3.2Å; L6-L10 PolarHBondContact O-N 3.36Å; L6-F21 HydrophobicContact CB-CE2 4.38Å; L6-F21 HydrophobicContact CD1-CE2 3.78Å; L6-F21 HydrophobicContact CD1-CZ 4.04Å
7S69.6Low65.3Low63 Ų6378.1 Ų78.144%0.44144%0.44SS..Hα-helixtrans-64.2-44.8178.4-1750000111.4I3 F4 K9 L10 S11I3-S7 WeakPolarHBondContact O-CB 3.35Å; I3-S7 PolarHBondContact O-N 3.5Å; F4-S7 PolarHBondContact O-N 3.04Å; S7-K9 VanDerWaalsContact C-N 3.33Å; S7-L10 PolarHBondContact O-N 3.07Å; S7-S11 WeakPolarHBondContact O-CB 3.24Å; S7-S11 PolarHBondContact O-N 2.75Å; S7-S11 PolarHBondContact O-OG 3.48Å; S7-S11 VanDerWaalsContact O-OG 3.06Å
8N67.5Low65.6Low30 Ų3079.8 Ų79.816%0.1645%0.448CS..Hα-helixtrans-63.7-40.4175.5-801.7000111.6F4 S11 G12 H13F4-N8 WeakPolarHBondContact CE1-ND2 3.48Å; F4-N8 WeakPolarHBondContact O-CB 3.43Å; F4-N8 PolarHBondContact O-N 3.11Å; N8-S11 WeakPolarHBondContact CA-OG 3.22Å; N8-S11 PolarHBondContact O-OG 2.9Å; N8-G12 PolarHBondContact O-N 3Å; N8-H13 PolarHBondContact O-N 3.38Å
9K67.8Low65.8Low91 Ų9179.7 Ų79.740%0.39645%0.453SS..Hα-helixtrans-65-39.9175.3-163.3172.6-169.1173.90111.6L5 L6 S7 D18L5-K9 WeakPolarHBondContact O-CB 3.42Å; L5-K9 PolarHBondContact O-N 3.13Å; L6-K9 PolarHBondContact O-N 3.27Å; S7-K9 VanDerWaalsContact C-N 3.33Å; K9-D18 IonicContact NZ-OD1 3.81Å; K9-D18 PolarHBondContact NZ-OD1 3.35Å
10L69.5Low66Low137 Ų13780.7 Ų80.772%0.71746%0.457SS*.Hα-helixtrans-75.3-35178-74.8170.5000113.2L6 S7 G12L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 HydrophobicContact CG-CD1 3.86Å; L6-L10 HydrophobicContact CG-CG 4.41Å; L6-L10 VanDerWaalsContact O-CB 3.28Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 WeakPolarHBondContact O-CG 3.2Å; L6-L10 PolarHBondContact O-N 3.36Å; S7-L10 PolarHBondContact O-N 3.07Å; L10-G12 PolarHBondContact O-N 3.42Å
11S70.1Confident66.3Low67 Ų6778.7 Ų78.747%0.46944%0.443SS..THydrogen-bonded Turntrans-77.50.1179.170.90000112.9S7 N8 H13S7-S11 WeakPolarHBondContact O-CB 3.24Å; S7-S11 PolarHBondContact O-N 2.75Å; S7-S11 PolarHBondContact O-OG 3.48Å; S7-S11 VanDerWaalsContact O-OG 3.06Å; N8-S11 WeakPolarHBondContact CA-OG 3.22Å; N8-S11 PolarHBondContact O-OG 2.9Å; S11-H13 PolarHBondContact O-N 2.88Å; S11-H13 VanDerWaalsContact O-N 3.09Å
12G65Low66.7Low65 Ų6578.4 Ų78.467%0.6745%0.446SS*.THydrogen-bonded Turntrans668.6-179.100000114.1N8 L10N8-G12 PolarHBondContact O-N 3Å; L10-G12 PolarHBondContact O-N 3.42Å
13H49.4Very low67Low145 Ų14577.5 Ų77.567%0.67145%0.454SS*.  trans-98.2107.7177.5-81.1-3000109.5N8 S11N8-H13 PolarHBondContact O-N 3.38Å; S11-H13 PolarHBondContact O-N 2.88Å; S11-H13 VanDerWaalsContact O-N 3.09Å
14S51.5Low67.3Low65 Ų6571.7 Ų71.746%0.45543%0.425SS..SBendtrans87.2138.8165.2790000119T16S14-T16 PolarHBondContact O-N 3.41Å
15V55.4Low68Low154 Ų15470.4 Ų70.493%0.93342%0.422SS*.  trans-69.379.2-179.9-176.30000110
16T54.4Low68.7Low30 Ų3074.8 Ų74.818%0.18445%0.445CS..  trans-83.1122.7166.157.60000109L5 S14L5-T16 HydrophobicContact CD2-CG2 3.81Å; S14-T16 PolarHBondContact O-N 3.41Å
17S64.5Low69.5Low49 Ų4974.1 Ų74.134%0.34344%0.441SS..  trans-59.4142.4175.366.90000111.5S19 N20 F21S17-S19 WeakPolarHBondContact CB-OG 3.3Å; S17-S19 PolarHBondContact O-N 2.8Å; S17-S19 PolarHBondContact OG-OG 2.77Å; S17-N20 PolarHBondContact O-N 3.38Å; S17-N20 VanDerWaalsContact O-N 3.1Å; S17-N20 VanDerWaalsContact OG-CG 3.29Å; S17-N20 PolarHBondContact OG-N 2.87Å; S17-N20 PolarHBondContact OG-ND2 2.95Å; S17-F21 PolarHBondContact O-N 3.41Å
18D71.2Confident70.2Confident108 Ų10876.4 Ų76.458%0.57844%0.444SS*.Hα-helixtrans-58.5-30.3176.1-72.7-34.3000112.1K9 N20 F21 V22K9-D18 IonicContact NZ-OD1 3.81Å; K9-D18 PolarHBondContact NZ-OD1 3.35Å; D18-N20 PolarHBondContact O-N 3.04Å; D18-F21 WeakPolarHBondContact O-CB 3.43Å; D18-F21 PolarHBondContact O-N 3.45Å; D18-V22 WeakPolarHBondContact O-CG2 3.29Å; D18-V22 PolarHBondContact O-N 3.48Å
19S70.2Confident71.3Confident79 Ų7979.5 Ų79.555%0.55246%0.459SS*.Hα-helixtrans-59.9-43.7174.857.20000113S17 F21 V22 A23S17-S19 WeakPolarHBondContact CB-OG 3.3Å; S17-S19 PolarHBondContact O-N 2.8Å; S17-S19 PolarHBondContact OG-OG 2.77Å; S19-F21 VanDerWaalsContact C-N 3.31Å; S19-F21 PolarHBondContact O-N 3.19Å; S19-V22 PolarHBondContact O-N 3.17Å; S19-A23 VanDerWaalsContact O-CB 3.31Å; S19-A23 WeakPolarHBondContact O-CB 3.4Å; S19-A23 PolarHBondContact O-N 2.83Å
20N70Confident72.3Confident98 Ų9876.7 Ų76.752%0.52445%0.452SS..Hα-helixtrans-68-34.8178.7-75.4-15000111.4S17 D18 A24S17-N20 PolarHBondContact O-N 3.38Å; S17-N20 VanDerWaalsContact O-N 3.1Å; S17-N20 VanDerWaalsContact OG-CG 3.29Å; S17-N20 PolarHBondContact OG-N 2.87Å; S17-N20 PolarHBondContact OG-ND2 2.95Å; D18-N20 PolarHBondContact O-N 3.04Å; N20-A24 VanDerWaalsContact O-CB 3.27Å; N20-A24 WeakPolarHBondContact O-CB 2.91Å; N20-A24 PolarHBondContact O-N 2.64Å
21F72Confident73.2Confident39 Ų3972.3 Ų72.317%0.17143%0.428CS..Hα-helixtrans-65.4-48174.3-179.3-96.2000111.9W2 L6 S17 D18 S19 A24 L25W2-F21 AromaticContact CD1-CE2 3.94Å; W2-F21 AromaticContact CE2-CZ 3.92Å; W2-F21 HydrophobicContact CZ2-CE2 4.46Å; W2-F21 HydrophobicContact CZ2-CZ 4.05Å; W2-F21 AromaticContact NE1-CE2 3.31Å; W2-F21 VanDerWaalsContact NE1-CE2 3.31Å; W2-F21 AromaticContact NE1-CZ 3.31Å; W2-F21 VanDerWaalsContact NE1-CZ 3.31Å; L6-F21 HydrophobicContact CB-CE2 4.38Å; L6-F21 HydrophobicContact CD1-CE2 3.78Å; L6-F21 HydrophobicContact CD1-CZ 4.04Å; S17-F21 PolarHBondContact O-N 3.41Å; D18-F21 WeakPolarHBondContact O-CB 3.43Å; D18-F21 PolarHBondContact O-N 3.45Å; S19-F21 VanDerWaalsContact C-N 3.31Å; S19-F21 PolarHBondContact O-N 3.19Å; F21-A24 PolarHBondContact O-N 2.78Å; F21-L25 PolarHBondContact O-N 3.08Å
22V77.2Confident74.2Confident75 Ų7572 Ų7246%0.45542%0.423SS..Hα-helixtrans-64.8-43.4178.4174.50000111.3D18 S19 A24 L25 L26D18-V22 WeakPolarHBondContact O-CG2 3.29Å; D18-V22 PolarHBondContact O-N 3.48Å; S19-V22 PolarHBondContact O-N 3.17Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.35Å; V22-L25 WeakPolarHBondContact O-CB 3.46Å; V22-L25 PolarHBondContact O-N 2.86Å; V22-L26 HydrophobicContact CG1-CD1 4.04Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 WeakPolarHBondContact O-CG 3.47Å; V22-L26 PolarHBondContact O-N 2.81Å
23A79.3Confident75.4Confident55 Ų5573.9 Ų73.946%0.45542%0.418SS..Hα-helixtrans-60.1-44.2176.200000111.7S19 L25 L26 L27S19-A23 VanDerWaalsContact O-CB 3.31Å; S19-A23 WeakPolarHBondContact O-CB 3.4Å; S19-A23 PolarHBondContact O-N 2.83Å; A23-L25 VanDerWaalsContact C-N 3.31Å; A23-L25 PolarHBondContact O-N 3Å; A23-L26 PolarHBondContact O-N 2.93Å; A23-L27 VanDerWaalsContact O-CB 3.31Å; A23-L27 WeakPolarHBondContact O-CB 3.31Å; A23-L27 PolarHBondContact O-N 3.1Å
24A80.5Confident77.4Confident4 Ų467.6 Ų67.63%0.03339%0.389CS..Hα-helixtrans-62.7-36.5175.500000112.7M1 L5 N20 F21 V22 F28M1-A24 HydrophobicContact CE-CB 3.55Å; L5-A24 HydrophobicContact CD1-CB 3.73Å; N20-A24 VanDerWaalsContact O-CB 3.27Å; N20-A24 WeakPolarHBondContact O-CB 2.91Å; N20-A24 PolarHBondContact O-N 2.64Å; F21-A24 PolarHBondContact O-N 2.78Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.35Å; A24-F28 WeakPolarHBondContact O-CB 3.48Å; A24-F28 PolarHBondContact O-N 3.43Å
25L82.8Confident79.2Confident55 Ų5570.3 Ų70.329%0.28839%0.393SS..Hα-helixtrans-69-47.1176179.665.9000111.7W2 F21 V22 A23 L27 F28 L29W2-L25 HydrophobicContact CZ2-CD1 4.25Å; F21-L25 PolarHBondContact O-N 3.08Å; V22-L25 WeakPolarHBondContact O-CB 3.46Å; V22-L25 PolarHBondContact O-N 2.86Å; A23-L25 VanDerWaalsContact C-N 3.31Å; A23-L25 PolarHBondContact O-N 3Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 3.05Å; L25-F28 WeakPolarHBondContact O-CB 3.31Å; L25-F28 PolarHBondContact O-N 3.17Å; L25-F28 VanDerWaalsContact O-N 3.15Å; L25-L29 HydrophobicContact CD1-CG 4.45Å; L25-L29 HydrophobicContact CG-CD1 4.19Å; L25-L29 WeakPolarHBondContact O-CG 3.1Å; L25-L29 PolarHBondContact O-N 3.23Å
26L85.8Confident81Confident109 Ų10966.1 Ų66.157%0.57137%0.367SS*.Hα-helixtrans-61.1-39.1176.1-72.7173.4000111.5V22 A23 L29 S30V22-L26 HydrophobicContact CG1-CD1 4.04Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 WeakPolarHBondContact O-CG 3.47Å; V22-L26 PolarHBondContact O-N 2.81Å; A23-L26 PolarHBondContact O-N 2.93Å; L26-L29 PolarHBondContact O-N 2.75Å; L26-S30 WeakPolarHBondContact O-CB 3.29Å; L26-S30 PolarHBondContact O-N 3.02Å; L26-S30 PolarHBondContact O-OG 3.34Å
27L85.6Confident82.6Confident39 Ų3967 Ų6720%0.20437%0.371CS..Hα-helixtrans-63.6-43.6173.4-173.167000111.6M1 A23 L25 S30 M31 F59 Y91M1-L27 HydrophobicContact CE-CD2 3.86Å; A23-L27 VanDerWaalsContact O-CB 3.31Å; A23-L27 WeakPolarHBondContact O-CB 3.31Å; A23-L27 PolarHBondContact O-N 3.1Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 3.05Å; L27-S30 PolarHBondContact O-N 2.8Å; L27-S30 PolarHBondContact O-OG 3.11Å; L27-M31 HydrophobicContact CD1-CE 4.08Å; L27-M31 WeakPolarHBondContact O-CG 3.38Å; L27-M31 PolarHBondContact O-N 2.91Å; L27-F59 HydrophobicContact CD1-CD1 4.29Å; L27-F59 HydrophobicContact CD1-CE1 3.9Å; L27-Y91 HydrophobicContact CD1-CE2 4.5Å; L27-Y91 WeakPolarHBondContact CD1-OH 3.33Å; L27-Y91 HydrophobicContact CD2-CE1 4.11Å; L27-Y91 HydrophobicContact CD2-CE2 4.29Å
28F85.6Confident83.8Confident111 Ų11168.9 Ų68.949%0.48737%0.374SS..Hα-helixtrans-61.5-47.6175.5175.9-103.2000111.7A24 L25 S30 M31 V32A24-F28 WeakPolarHBondContact O-CB 3.48Å; A24-F28 PolarHBondContact O-N 3.43Å; L25-F28 WeakPolarHBondContact O-CB 3.31Å; L25-F28 PolarHBondContact O-N 3.17Å; L25-F28 VanDerWaalsContact O-N 3.15Å; F28-S30 PolarHBondContact O-N 2.83Å; F28-M31 PolarHBondContact O-N 3.34Å; F28-V32 HydrophobicContact CD1-CG2 4.36Å; F28-V32 HydrophobicContact CD2-CG2 4.5Å; F28-V32 HydrophobicContact CE1-CG2 3.95Å; F28-V32 HydrophobicContact CE2-CG2 4.1Å; F28-V32 HydrophobicContact CZ-CG2 3.81Å; F28-V32 WeakPolarHBondContact O-CG2 3.19Å; F28-V32 PolarHBondContact O-N 3.11Å
29L89.6Confident84.6Confident94 Ų9467.3 Ų67.349%0.49237%0.365SS..Hα-helixtrans-61.7-40.9178.5-70.5173000112.3L25 L26 V32 D33L25-L29 HydrophobicContact CD1-CG 4.45Å; L25-L29 HydrophobicContact CG-CD1 4.19Å; L25-L29 WeakPolarHBondContact O-CG 3.1Å; L25-L29 PolarHBondContact O-N 3.23Å; L26-L29 PolarHBondContact O-N 2.75Å; L29-V32 PolarHBondContact O-N 3.3Å; L29-D33 WeakPolarHBondContact O-CB 3.29Å; L29-D33 PolarHBondContact O-N 2.78Å
30S88.9Confident85.5Confident33 Ų3367.2 Ų67.223%0.23136%0.358CS..Hα-helixtrans-68.9-34.9177.665.20000112.8L26 L27 F28 D33 L34 F59L26-S30 WeakPolarHBondContact O-CB 3.29Å; L26-S30 PolarHBondContact O-N 3.02Å; L26-S30 PolarHBondContact O-OG 3.34Å; L27-S30 PolarHBondContact O-N 2.8Å; L27-S30 PolarHBondContact O-OG 3.11Å; F28-S30 PolarHBondContact O-N 2.83Å; S30-D33 PolarHBondContact O-N 2.9Å; S30-L34 WeakPolarHBondContact O-CB 3.48Å; S30-L34 WeakPolarHBondContact O-CG 3.33Å; S30-L34 PolarHBondContact O-N 2.69Å; S30-F59 WeakPolarHBondContact OG-CZ 3.33Å
31M88.6Confident86.2Confident44 Ų4463.1 Ų63.122%0.21734%0.337CS..Hα-helixtrans-69-36.8172.7-67.5-65138.900112.1L27 F28 L34 F35 F59 Y91L27-M31 HydrophobicContact CD1-CE 4.08Å; L27-M31 WeakPolarHBondContact O-CG 3.38Å; L27-M31 PolarHBondContact O-N 2.91Å; F28-M31 PolarHBondContact O-N 3.34Å; M31-L34 HydrophobicContact CE-CD1 4.14Å; M31-L34 PolarHBondContact O-N 3.4Å; M31-L34 HydrophobicContact SD-CD1 4.18Å; M31-F35 WeakPolarHBondContact O-CB 3.26Å; M31-F35 PolarHBondContact O-N 3.28Å; M31-F59 HydrophobicContact CE-CD1 3.94Å; M31-F59 HydrophobicContact CE-CD2 3.58Å; M31-F59 HydrophobicContact CE-CE1 3.86Å; M31-F59 HydrophobicContact CE-CE2 3.51Å; M31-F59 HydrophobicContact CE-CG 3.82Å; M31-F59 HydrophobicContact CE-CZ 3.65Å; M31-Y91 HydrophobicContact CE-CE2 4.08Å; M31-Y91 HydrophobicContact SD-CE2 4.24Å
32V90.6Very high86.7Confident61 Ų6171.2 Ų71.237%0.3737%0.366SS..Hα-helixtrans-64-44.8172.11710000110.6F28 L29 F35 V36F28-V32 HydrophobicContact CD1-CG2 4.36Å; F28-V32 HydrophobicContact CD2-CG2 4.5Å; F28-V32 HydrophobicContact CE1-CG2 3.95Å; F28-V32 HydrophobicContact CE2-CG2 4.1Å; F28-V32 HydrophobicContact CZ-CG2 3.81Å; F28-V32 WeakPolarHBondContact O-CG2 3.19Å; F28-V32 PolarHBondContact O-N 3.11Å; L29-V32 PolarHBondContact O-N 3.3Å; V32-F35 WeakPolarHBondContact O-CB 3.18Å; V32-F35 PolarHBondContact O-N 3.24Å; V32-V36 HydrophobicContact CG1-CG2 4.41Å; V32-V36 WeakPolarHBondContact O-CG2 3.38Å; V32-V36 PolarHBondContact O-N 3.08Å
33D91.1Very high86.8Confident105 Ų10575.2 Ų75.256%0.56138%0.38SS*.Hα-helixtrans-60.5-45.2175.8-175.956.6000111.8L29 S30 F35 V36 L37L29-D33 WeakPolarHBondContact O-CB 3.29Å; L29-D33 PolarHBondContact O-N 2.78Å; S30-D33 PolarHBondContact O-N 2.9Å; D33-F35 VanDerWaalsContact C-N 3.32Å; D33-F35 PolarHBondContact O-N 3.14Å; D33-V36 PolarHBondContact O-N 2.87Å; D33-L37 VanDerWaalsContact O-CB 3.29Å; D33-L37 WeakPolarHBondContact O-CB 3.42Å; D33-L37 PolarHBondContact O-N 3.32Å
34L90.1Very high86.8Confident12 Ų1282.4 Ų82.46%0.06340%0.396CS..Hα-helixtrans-59.4-41.4173.9-82.3174.1000112.7S30 M31 L37 Q38 I52 L56 F59S30-L34 WeakPolarHBondContact O-CB 3.48Å; S30-L34 WeakPolarHBondContact O-CG 3.33Å; S30-L34 PolarHBondContact O-N 2.69Å; M31-L34 HydrophobicContact CE-CD1 4.14Å; M31-L34 PolarHBondContact O-N 3.4Å; M31-L34 HydrophobicContact SD-CD1 4.18Å; L34-L37 PolarHBondContact O-N 3Å; L34-Q38 WeakPolarHBondContact O-CB 3.34Å; L34-Q38 PolarHBondContact O-N 3.45Å; L34-I52 HydrophobicContact CD2-CG1 4.5Å; L34-L56 HydrophobicContact CD1-CD2 4.34Å; L34-F59 HydrophobicContact CD1-CD2 4.04Å; L34-F59 HydrophobicContact CD1-CE2 3.61Å
35F90.6Very high86.5Confident123 Ų12384.1 Ų84.154%0.53941%0.414SS..Hα-helixtrans-65.2-45.6176.7179.5-107.1000111.7M31 V32 D33 L37 Q38 L39M31-F35 WeakPolarHBondContact O-CB 3.26Å; M31-F35 PolarHBondContact O-N 3.28Å; V32-F35 WeakPolarHBondContact O-CB 3.18Å; V32-F35 PolarHBondContact O-N 3.24Å; D33-F35 VanDerWaalsContact C-N 3.32Å; D33-F35 PolarHBondContact O-N 3.14Å; F35-L37 VanDerWaalsContact C-N 3.33Å; F35-L37 PolarHBondContact O-N 2.68Å; F35-Q38 PolarHBondContact O-N 3.45Å; F35-L39 HydrophobicContact CD1-CD1 3.95Å; F35-L39 HydrophobicContact CE1-CD1 3.45Å; F35-L39 VanDerWaalsContact CE1-CD1 3.45Å; F35-L39 HydrophobicContact CE1-CG 4.2Å; F35-L39 HydrophobicContact CE2-CG 4.49Å; F35-L39 HydrophobicContact CZ-CD1 3.79Å; F35-L39 HydrophobicContact CZ-CD2 4.34Å; F35-L39 HydrophobicContact CZ-CG 4.17Å; F35-L39 WeakPolarHBondContact O-CG 3.26Å; F35-L39 PolarHBondContact O-N 2.92Å
36V91.5Very high86.1Confident66 Ų6686.1 Ų86.140%0.442%0.424SS..Hα-helixtrans-59.9-45.7174.9170.50000110.4V32 D33 Q38 L39 L40V32-V36 HydrophobicContact CG1-CG2 4.41Å; V32-V36 WeakPolarHBondContact O-CG2 3.38Å; V32-V36 PolarHBondContact O-N 3.08Å; D33-V36 PolarHBondContact O-N 2.87Å; V36-Q38 VanDerWaalsContact C-N 3.32Å; V36-Q38 PolarHBondContact O-N 2.97Å; V36-L39 PolarHBondContact O-N 3.21Å; V36-L40 HydrophobicContact CG1-CD1 4.01Å; V36-L40 HydrophobicContact CG1-CG 4.36Å; V36-L40 VanDerWaalsContact O-CG 3.32Å; V36-L40 WeakPolarHBondContact O-CG 3.09Å; V36-L40 PolarHBondContact O-N 3.42Å
37L89.7Confident85.6Confident49 Ų4982.4 Ų82.426%0.25741%0.405SS..Hα-helixtrans-61.2-40.9177.2-176.764.6000111.7D33 L34 F35 L40 C41 I52D33-L37 VanDerWaalsContact O-CB 3.29Å; D33-L37 WeakPolarHBondContact O-CB 3.42Å; D33-L37 PolarHBondContact O-N 3.32Å; L34-L37 PolarHBondContact O-N 3Å; F35-L37 VanDerWaalsContact C-N 3.33Å; F35-L37 PolarHBondContact O-N 2.68Å; L37-L40 PolarHBondContact O-N 2.86Å; L37-C41 WeakPolarHBondContact O-CB 3.42Å; L37-C41 PolarHBondContact O-N 2.92Å; L37-C41 PolarHBondContact O-SG 2.97Å; L37-I52 HydrophobicContact CD2-CD1 4.4Å; L37-I52 HydrophobicContact CD2-CG1 3.66Å; L37-I52 HydrophobicContact CG-CD1 4.2Å; L37-I52 HydrophobicContact CG-CG1 4Å
38Q88Confident85.4Confident87 Ų8782 Ų8241%0.40740%0.404SS..Hα-helixtrans-63.7-42.7175.8-171.4174.8-3.600111.8L34 F35 V36 C41 R42 I52L34-Q38 WeakPolarHBondContact O-CB 3.34Å; L34-Q38 PolarHBondContact O-N 3.45Å; F35-Q38 PolarHBondContact O-N 3.45Å; V36-Q38 VanDerWaalsContact C-N 3.32Å; V36-Q38 PolarHBondContact O-N 2.97Å; Q38-C41 PolarHBondContact O-N 3.31Å; Q38-R42 WeakPolarHBondContact O-CB 3.35Å; Q38-R42 PolarHBondContact O-N 3.29Å; Q38-I52 HydrophobicContact CB-CD1 4.04Å; Q38-I52 HydrophobicContact CG-CD1 4.47Å
39L88.4Confident85.3Confident75 Ų7577.7 Ų77.739%0.39339%0.387SS..Hα-helixtrans-62.1-44.3173.7-70.4176.2000111.8F35 V36 R42 Q43F35-L39 HydrophobicContact CD1-CD1 3.95Å; F35-L39 HydrophobicContact CE1-CD1 3.45Å; F35-L39 VanDerWaalsContact CE1-CD1 3.45Å; F35-L39 HydrophobicContact CE1-CG 4.2Å; F35-L39 HydrophobicContact CE2-CG 4.49Å; F35-L39 HydrophobicContact CZ-CD1 3.79Å; F35-L39 HydrophobicContact CZ-CD2 4.34Å; F35-L39 HydrophobicContact CZ-CG 4.17Å; F35-L39 WeakPolarHBondContact O-CG 3.26Å; F35-L39 PolarHBondContact O-N 2.92Å; V36-L39 PolarHBondContact O-N 3.21Å; L39-R42 PolarHBondContact O-N 3.21Å; L39-Q43 WeakPolarHBondContact O-CG 3.44Å; L39-Q43 PolarHBondContact O-N 3.41Å
40L88.7Confident85Confident78 Ų7874.1 Ų74.141%0.40837%0.373SS..Hα-helixtrans-64-40.1176.7-71.3174.7000112.1V36 L37 Q43 R44V36-L40 HydrophobicContact CG1-CD1 4.01Å; V36-L40 HydrophobicContact CG1-CG 4.36Å; V36-L40 VanDerWaalsContact O-CG 3.32Å; V36-L40 WeakPolarHBondContact O-CG 3.09Å; V36-L40 PolarHBondContact O-N 3.42Å; L37-L40 PolarHBondContact O-N 2.86Å; L40-Q43 PolarHBondContact O-N 3.33Å; L40-R44 WeakPolarHBondContact O-CB 3.44Å; L40-R44 WeakPolarHBondContact O-CG 3.29Å; L40-R44 PolarHBondContact O-N 3.09Å
41C85.6Confident84.9Confident11 Ų1176.3 Ų76.37%0.07439%0.385CS..Hα-helixtrans-61.1-46.4174.5-70.30000110.6L37 Q38 R44 G45 L46L37-C41 WeakPolarHBondContact O-CB 3.42Å; L37-C41 PolarHBondContact O-N 2.92Å; L37-C41 PolarHBondContact O-SG 2.97Å; Q38-C41 PolarHBondContact O-N 3.31Å; C41-R44 CarbonylContact O-C 3.55Å; C41-R44 PolarHBondContact O-N 3.18Å; C41-G45 PolarHBondContact O-N 3.49Å; C41-G45 VanDerWaalsContact O-N 3.1Å; C41-L46 HydrophobicContact CB-CB 4.03Å; C41-L46 PolarHBondContact O-N 3.29Å
42R82.7Confident84.9Confident209 Ų20975.2 Ų75.279%0.78938%0.38SS*.Hα-helixtrans-62-44.2177.6-173176.6176.9-178.1-0.7112.3Q38 L39 R44 G45Q38-R42 WeakPolarHBondContact O-CB 3.35Å; Q38-R42 PolarHBondContact O-N 3.29Å; L39-R42 PolarHBondContact O-N 3.21Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R42-R44 PolarHBondContact O-N 3.15Å; R42-G45 PolarHBondContact O-N 3.5Å
43Q79.4Confident84.9Confident160 Ų16073.1 Ų73.175%0.74837%0.366SS*.Hα-helixtrans-63.7-35.8177.1-75.8-179.4-5.900112.8L39 L40 G45L39-Q43 WeakPolarHBondContact O-CG 3.44Å; L39-Q43 PolarHBondContact O-N 3.41Å; L40-Q43 PolarHBondContact O-N 3.33Å; Q43-G45 VanDerWaalsContact C-N 3.29Å
44R79.3Confident84.8Confident206 Ų20672.5 Ų72.578%0.77736%0.362SS*.THydrogen-bonded Turntrans-84.11176.8-69.2-173.2177-172.50.7113.9L40 C41 R42 L46L40-R44 WeakPolarHBondContact O-CB 3.44Å; L40-R44 WeakPolarHBondContact O-CG 3.29Å; L40-R44 PolarHBondContact O-N 3.09Å; C41-R44 CarbonylContact O-C 3.55Å; C41-R44 PolarHBondContact O-N 3.18Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R42-R44 PolarHBondContact O-N 3.15Å; R44-L46 VanDerWaalsContact C-N 3.28Å; R44-L46 HydrophobicContact CB-CD1 4.48Å; R44-L46 HydrophobicContact CB-CG 4.3Å; R44-L46 PolarHBondContact O-N 3.2Å
45G73.6Confident84.8Confident40 Ų4073.9 Ų73.941%0.41237%0.373SS..THydrogen-bonded Turntrans68.422.4-17700000114.4C41 R42 Q43 I47C41-G45 PolarHBondContact O-N 3.49Å; C41-G45 VanDerWaalsContact O-N 3.1Å; R42-G45 PolarHBondContact O-N 3.5Å; Q43-G45 VanDerWaalsContact C-N 3.29Å; G45-I47 PolarHBondContact O-N 3.36Å
46L73.8Confident84.8Confident96 Ų9668.1 Ų68.150%0.50335%0.347SS..  trans-78.6105.4174.8-67.7173.6000109.9C41 R44 T48C41-L46 HydrophobicContact CB-CB 4.03Å; C41-L46 PolarHBondContact O-N 3.29Å; R44-L46 VanDerWaalsContact C-N 3.28Å; R44-L46 HydrophobicContact CB-CD1 4.48Å; R44-L46 HydrophobicContact CB-CG 4.3Å; R44-L46 PolarHBondContact O-N 3.2Å; L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 3.16Å
47I76Confident84.7Confident32 Ų3267.9 Ų67.916%0.16434%0.344CS..SBendtrans-67.4-26.1-176.7-58.8175.2000112.7G45 A105 D106 F125G45-I47 PolarHBondContact O-N 3.36Å; I47-A105 HydrophobicContact CG2-CB 4.14Å; I47-D106 HydrophobicContact CG2-CB 4.43Å; I47-F125 HydrophobicContact CD1-CB 4.44Å; I47-F125 HydrophobicContact CD1-CD1 3.37Å; I47-F125 HydrophobicContact CD1-CE1 3.98Å; I47-F125 HydrophobicContact CD1-CG 4.31Å
48T80.6Confident84.7Confident30 Ų3070.7 Ų70.718%0.18436%0.359CS..  trans-149.1145.2177.1-173.10000110.1L46 S126 F128 K131L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 3.16Å; T48-S126 WeakPolarHBondContact CG2-O 3.32Å; T48-F128 PolarHBondContact OG1-N 3.45Å; T48-K131 HydrophobicContact CG2-CD 4.08Å
49S84.3Confident84.8Confident21 Ų2169 Ų6915%0.14735%0.35CS..  trans-127121.6176.6178.50000110.4T51 I52 F53S49-T51 VanDerWaalsContact C-N 3.27Å; S49-T51 PolarHBondContact O-N 3.12Å; S49-T51 PolarHBondContact OG-N 3.45Å; S49-T51 PolarHBondContact OG-OG1 2.97Å; S49-I52 PolarHBondContact O-N 3.08Å; S49-I52 PolarHBondContact OG-N 2.75Å; S49-F53 PolarHBondContact O-N 3.39Å
50G84.3Confident84.9Confident18 Ų1866.4 Ų66.419%0.18634%0.338CS..Hα-helixtrans-64.7-32.417400000112.9F53 L54 F128G50-F53 PolarHBondContact O-N 2.75Å; G50-L54 VanDerWaalsContact O-CB 3.22Å; G50-L54 WeakPolarHBondContact O-CB 3.32Å; G50-L54 WeakPolarHBondContact O-CG 3.27Å; G50-L54 PolarHBondContact O-N 3.26Å; G50-F128 VanDerWaalsContact CA-CE2 3.45Å; G50-F128 VanDerWaalsContact CA-CG 3.47Å
51T86Confident84.8Confident80 Ų8067.5 Ų67.549%0.49134%0.344SS..Hα-helixtrans-67.8-40.8177.850.80000111.3S49 S55S49-T51 VanDerWaalsContact C-N 3.27Å; S49-T51 PolarHBondContact O-N 3.12Å; S49-T51 PolarHBondContact OG-N 3.45Å; S49-T51 PolarHBondContact OG-OG1 2.97Å; T51-S55 VanDerWaalsContact O-CB 3.22Å; T51-S55 WeakPolarHBondContact O-CB 3.49Å; T51-S55 PolarHBondContact O-N 3.25Å; T51-S55 PolarHBondContact O-OG 2.94Å
52I88.6Confident84.9Confident20 Ų2070.8 Ų70.810%0.10337%0.366CS..Hα-helixtrans-64-51.5174.6-62.7176.9000109.9L34 L37 Q38 S49 L54 S55 L56L34-I52 HydrophobicContact CD2-CG1 4.5Å; L37-I52 HydrophobicContact CD2-CD1 4.4Å; L37-I52 HydrophobicContact CD2-CG1 3.66Å; L37-I52 HydrophobicContact CG-CD1 4.2Å; L37-I52 HydrophobicContact CG-CG1 4Å; Q38-I52 HydrophobicContact CB-CD1 4.04Å; Q38-I52 HydrophobicContact CG-CD1 4.47Å; S49-I52 PolarHBondContact O-N 3.08Å; S49-I52 PolarHBondContact OG-N 2.75Å; I52-L54 PolarHBondContact O-N 3.1Å; I52-S55 PolarHBondContact O-N 3.43Å; I52-L56 HydrophobicContact CG2-CD1 3.76Å; I52-L56 HydrophobicContact CG2-CG 4.32Å; I52-L56 WeakPolarHBondContact O-CB 3.35Å; I52-L56 VanDerWaalsContact O-CG 3.3Å; I52-L56 WeakPolarHBondContact O-CG 3.18Å; I52-L56 PolarHBondContact O-N 3.45Å
53F90Very high85.1Confident17 Ų1761.1 Ų61.18%0.07533%0.331CS..Hα-helixtrans-58.4-49.1-179.7179.3-89.4000112.3S49 G50 S55 L56 L57 S102 F128 L129S49-F53 PolarHBondContact O-N 3.39Å; G50-F53 PolarHBondContact O-N 2.75Å; F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 3.4Å; F53-L56 PolarHBondContact O-N 3.26Å; F53-L57 HydrophobicContact CE1-CD2 4.14Å; F53-L57 VanDerWaalsContact O-CB 3.3Å; F53-L57 WeakPolarHBondContact O-CB 3.49Å; F53-L57 PolarHBondContact O-N 3.11Å; F53-S102 VanDerWaalsContact CD2-OG 3.27Å; F53-S102 WeakPolarHBondContact CD2-OG 3.41Å; F53-F128 HydrophobicContact CB-CB 4.25Å; F53-F128 HydrophobicContact CB-CD1 3.92Å; F53-F128 HydrophobicContact CB-CG 4.34Å; F53-F128 AromaticContact CD1-CD1 3.37Å; F53-F128 HydrophobicContact CD1-CD1 3.37Å; F53-F128 AromaticContact CD1-CE1 3.78Å; F53-F128 HydrophobicContact CD1-CE1 3.78Å; F53-F128 HydrophobicContact CD1-CG 4.49Å; F53-F128 HydrophobicContact CE1-CD1 4.1Å; F53-F128 HydrophobicContact CE1-CE1 4.41Å; F53-F128 HydrophobicContact CG-CB 4.45Å; F53-F128 AromaticContact CG-CD1 3.76Å; F53-F128 HydrophobicContact CG-CD1 3.76Å; F53-L129 HydrophobicContact CE2-CB 4.46Å; F53-L129 HydrophobicContact CE2-CD1 4.48Å; F53-L129 HydrophobicContact CZ-CB 4.25Å; F53-L129 HydrophobicContact CZ-CD1 3.92Å
54L88.7Confident85.4Confident92 Ų9256.2 Ų56.248%0.48231%0.314SS..Hα-helixtrans-66.2-36.5-179.2-71.3171000112G50 I52 L58 F128G50-L54 VanDerWaalsContact O-CB 3.22Å; G50-L54 WeakPolarHBondContact O-CB 3.32Å; G50-L54 WeakPolarHBondContact O-CG 3.27Å; G50-L54 PolarHBondContact O-N 3.26Å; I52-L54 PolarHBondContact O-N 3.1Å; L54-L58 WeakPolarHBondContact O-CB 3.05Å; L54-L58 PolarHBondContact O-N 3.25Å; L54-F128 HydrophobicContact CD1-CE1 4.26Å; L54-F128 HydrophobicContact CD1-CZ 4Å; L54-F128 HydrophobicContact CD2-CE1 4.03Å; L54-F128 HydrophobicContact CD2-CZ 4.49Å; L54-F128 HydrophobicContact CG-CE1 3.88Å; L54-F128 HydrophobicContact CG-CZ 4.14Å
55S90.2Very high85.7Confident42 Ų4251.3 Ų51.329%0.29431%0.307SS..Hα-helixtrans-66.1-46.6175.7-58.40000111T51 I52 F53 L57 L58 F59T51-S55 VanDerWaalsContact O-CB 3.22Å; T51-S55 WeakPolarHBondContact O-CB 3.49Å; T51-S55 PolarHBondContact O-N 3.25Å; T51-S55 PolarHBondContact O-OG 2.94Å; I52-S55 PolarHBondContact O-N 3.43Å; F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 3.4Å; S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 PolarHBondContact O-N 3.34Å; S55-L58 WeakPolarHBondContact O-CB 3.35Å; S55-L58 PolarHBondContact O-N 3.2Å; S55-F59 WeakPolarHBondContact O-CD2 3.19Å; S55-F59 PolarHBondContact O-N 3.36Å
56L91.4Very high86.2Confident1 Ų153.4 Ų53.41%0.00531%0.306CS..Hα-helixtrans-61.9-41.8176-71173.2000112L34 I52 F53 L58 F59 S60 Q98 T99L34-L56 HydrophobicContact CD1-CD2 4.34Å; I52-L56 HydrophobicContact CG2-CD1 3.76Å; I52-L56 HydrophobicContact CG2-CG 4.32Å; I52-L56 WeakPolarHBondContact O-CB 3.35Å; I52-L56 VanDerWaalsContact O-CG 3.3Å; I52-L56 WeakPolarHBondContact O-CG 3.18Å; I52-L56 PolarHBondContact O-N 3.45Å; F53-L56 PolarHBondContact O-N 3.26Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L56-L58 PolarHBondContact O-N 3.49Å; L56-F59 PolarHBondContact O-N 3.35Å; L56-S60 WeakPolarHBondContact O-CB 3.39Å; L56-S60 PolarHBondContact O-N 3.04Å; L56-Q98 HydrophobicContact CD1-CB 4.5Å; L56-Q98 HydrophobicContact CD1-CG 3.77Å; L56-Q98 HydrophobicContact CD2-CB 4.45Å; L56-Q98 HydrophobicContact CD2-CG 4.14Å; L56-T99 PolarHBondContact O-OG1 3.44Å
57L89.6Confident86.8Confident62 Ų6252.4 Ų52.433%0.32530%0.298SS..Hα-helixtrans-60.7-42.9173.9-177.267000111.4F53 S55 S60 L61F53-L57 HydrophobicContact CE1-CD2 4.14Å; F53-L57 VanDerWaalsContact O-CB 3.3Å; F53-L57 WeakPolarHBondContact O-CB 3.49Å; F53-L57 PolarHBondContact O-N 3.11Å; S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 PolarHBondContact O-N 3.34Å; L57-S60 WeakPolarHBondContact O-CB 3.47Å; L57-S60 PolarHBondContact O-N 2.82Å; L57-L61 HydrophobicContact CG-CD1 4.15Å; L57-L61 WeakPolarHBondContact O-CB 3.13Å; L57-L61 VanDerWaalsContact O-CG 3.31Å; L57-L61 WeakPolarHBondContact O-CG 3.49Å; L57-L61 PolarHBondContact O-N 3.4Å
58L88.9Confident87.1Confident108 Ų10853.7 Ų53.757%0.56531%0.313SS*.Hα-helixtrans-63.9-44.2176.6-171.471000111.3L54 S55 L56 S60 L61 C62L54-L58 WeakPolarHBondContact O-CB 3.05Å; L54-L58 PolarHBondContact O-N 3.25Å; S55-L58 WeakPolarHBondContact O-CB 3.35Å; S55-L58 PolarHBondContact O-N 3.2Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L56-L58 PolarHBondContact O-N 3.49Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 2.64Å; L58-L61 PolarHBondContact O-N 2.94Å; L58-C62 WeakPolarHBondContact O-CB 3.47Å; L58-C62 PolarHBondContact O-N 3.19Å; L58-C62 PolarHBondContact O-SG 3.25Å; L58-C62 VanDerWaalsContact O-SG 3.41Å
59F91.5Very high87.2Confident51 Ų5158.1 Ų58.122%0.22433%0.332CS..Hα-helixtrans-61.5-38.6174.2-74.7-60.6000112.4L27 S30 M31 L34 S55 L56 G63 V95L27-F59 HydrophobicContact CD1-CD1 4.29Å; L27-F59 HydrophobicContact CD1-CE1 3.9Å; S30-F59 WeakPolarHBondContact OG-CZ 3.33Å; M31-F59 HydrophobicContact CE-CD1 3.94Å; M31-F59 HydrophobicContact CE-CD2 3.58Å; M31-F59 HydrophobicContact CE-CE1 3.86Å; M31-F59 HydrophobicContact CE-CE2 3.51Å; M31-F59 HydrophobicContact CE-CG 3.82Å; M31-F59 HydrophobicContact CE-CZ 3.65Å; L34-F59 HydrophobicContact CD1-CD2 4.04Å; L34-F59 HydrophobicContact CD1-CE2 3.61Å; S55-F59 WeakPolarHBondContact O-CD2 3.19Å; S55-F59 PolarHBondContact O-N 3.36Å; L56-F59 PolarHBondContact O-N 3.35Å; F59-G63 WeakPolarHBondContact O-CA 3.46Å; F59-G63 PolarHBondContact O-N 2.73Å; F59-V95 HydrophobicContact CB-CG1 3.87Å
60S89.9Confident87.2Confident20 Ų2059 Ų5914%0.1433%0.333CS..Hα-helixtrans-63.5-47.8174.7174.10000111.7L56 L57 L58 S64 F92 L96L56-S60 WeakPolarHBondContact O-CB 3.39Å; L56-S60 PolarHBondContact O-N 3.04Å; L57-S60 WeakPolarHBondContact O-CB 3.47Å; L57-S60 PolarHBondContact O-N 2.82Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 2.64Å; S60-S64 WeakPolarHBondContact O-CB 3.37Å; S60-S64 PolarHBondContact O-N 2.92Å; S60-F92 WeakPolarHBondContact O-CE2 3.43Å; S60-L96 VanDerWaalsContact OG-CD2 3.22Å; S60-L96 WeakPolarHBondContact OG-CD2 3.31Å
61L86.6Confident87.1Confident102 Ų10261.9 Ų61.953%0.53434%0.344SS..Hα-helixtrans-65-52.1179.6-71.9171.1000111.8L57 L58 G63 S64L57-L61 HydrophobicContact CG-CD1 4.15Å; L57-L61 WeakPolarHBondContact O-CB 3.13Å; L57-L61 VanDerWaalsContact O-CG 3.31Å; L57-L61 WeakPolarHBondContact O-CG 3.49Å; L57-L61 PolarHBondContact O-N 3.4Å; L58-L61 PolarHBondContact O-N 2.94Å; L61-G63 VanDerWaalsContact C-N 3.33Å; L61-G63 PolarHBondContact O-N 3.27Å; L61-S64 PolarHBondContact O-N 3.37Å; L61-S64 PolarHBondContact O-OG 3.11Å
62C87Confident86.6Confident80 Ų8065.7 Ų65.754%0.54135%0.35SS..Hα-helixtrans-64-40.6177.9-660000111.6L58 S64 V65L58-C62 WeakPolarHBondContact O-CB 3.47Å; L58-C62 PolarHBondContact O-N 3.19Å; L58-C62 PolarHBondContact O-SG 3.25Å; L58-C62 VanDerWaalsContact O-SG 3.41Å; C62-S64 VanDerWaalsContact C-N 3.28Å; C62-S64 PolarHBondContact O-N 3.33Å; C62-V65 PolarHBondContact O-N 3.14Å
63G86.7Confident86Confident6 Ų670.3 Ų70.36%0.06237%0.367CS..Hα-helixtrans-65.7-27.7178.200000113.4F59 L61 V65 E66 F67F59-G63 WeakPolarHBondContact O-CA 3.46Å; F59-G63 PolarHBondContact O-N 2.73Å; L61-G63 VanDerWaalsContact C-N 3.33Å; L61-G63 PolarHBondContact O-N 3.27Å; G63-V65 VanDerWaalsContact C-N 3.31Å; G63-V65 PolarHBondContact O-N 2.89Å; G63-E66 PolarHBondContact O-N 3.4Å; G63-F67 WeakPolarHBondContact O-CB 3.47Å; G63-F67 PolarHBondContact O-N 3.34Å
64S86.4Confident85.2Confident56 Ų5674.5 Ų74.539%0.39239%0.385SS..Hα-helixtrans-63.7-35.2177740000113S60 L61 C62 A68S60-S64 WeakPolarHBondContact O-CB 3.37Å; S60-S64 PolarHBondContact O-N 2.92Å; L61-S64 PolarHBondContact O-N 3.37Å; L61-S64 PolarHBondContact O-OG 3.11Å; C62-S64 VanDerWaalsContact C-N 3.28Å; C62-S64 PolarHBondContact O-N 3.33Å; S64-A68 WeakPolarHBondContact O-CB 3.49Å; S64-A68 PolarHBondContact O-N 2.98Å
65V84.5Confident84.5Confident104 Ų10474.6 Ų74.663%0.6339%0.394SS*.Hα-helixtrans-69.6-46.1176.6-178.40000110.3C62 G63 F67 A68 H69C62-V65 PolarHBondContact O-N 3.14Å; G63-V65 VanDerWaalsContact C-N 3.31Å; G63-V65 PolarHBondContact O-N 2.89Å; V65-F67 VanDerWaalsContact C-N 3.31Å; V65-F67 PolarHBondContact O-N 3.11Å; V65-A68 PolarHBondContact O-N 3.16Å; V65-H69 PolarHBondContact O-N 3.3Å
66E84.3Confident83.6Confident84 Ų8477.1 Ų77.139%0.39340%0.404SS..Hα-helixtrans-64-37.9176.2-173-177.8167.100111.6G63 H69 K70 F88G63-E66 PolarHBondContact O-N 3.4Å; E66-H69 PolarHBondContact O-N 3.39Å; E66-K70 HydrophobicContact CG-CD 4.14Å; E66-K70 WeakPolarHBondContact O-CB 3.13Å; E66-K70 WeakPolarHBondContact O-CG 3.36Å; E66-K70 PolarHBondContact O-N 2.81Å; E66-K70 VanDerWaalsContact OE1-CE 3.29Å; E66-K70 WeakPolarHBondContact OE1-CE 3.48Å; E66-K70 IonicContact OE1-NZ 3.53Å; E66-K70 PolarHBondContact OE1-NZ 2.83Å; E66-F88 HydrophobicContact CB-CE1 4.44Å; E66-F88 HydrophobicContact CB-CE2 4.36Å; E66-F88 HydrophobicContact CB-CZ 3.78Å; E66-F88 VanDerWaalsContact CD-CZ 3.48Å; E66-F88 HydrophobicContact CG-CE1 4.16Å; E66-F88 HydrophobicContact CG-CE2 3.94Å; E66-F88 HydrophobicContact CG-CZ 3.66Å; E66-F88 WeakPolarHBondContact OE1-CD2 3.11Å; E66-F88 VanDerWaalsContact OE1-CE2 3.29Å; E66-F88 WeakPolarHBondContact OE1-CE2 3.3Å; E66-F88 WeakPolarHBondContact OE2-CE2 3.31Å
67F87.2Confident82.4Confident74 Ų7482.5 Ų82.533%0.32543%0.429SS..Hα-helixtrans-62.7-47.8175.3-178.4-106.2000111.9G63 V65 H69 K70 I71 F88 F89 F92G63-F67 WeakPolarHBondContact O-CB 3.47Å; G63-F67 PolarHBondContact O-N 3.34Å; V65-F67 VanDerWaalsContact C-N 3.31Å; V65-F67 PolarHBondContact O-N 3.11Å; F67-H69 VanDerWaalsContact C-N 3.33Å; F67-H69 PolarHBondContact O-N 2.95Å; F67-K70 PolarHBondContact O-N 2.85Å; F67-I71 HydrophobicContact CD1-CD1 3.68Å; F67-I71 HydrophobicContact CD2-CD1 4.41Å; F67-I71 HydrophobicContact CE1-CD1 3.19Å; F67-I71 HydrophobicContact CE1-CG1 4.33Å; F67-I71 HydrophobicContact CE2-CD1 3.99Å; F67-I71 HydrophobicContact CE2-CG1 4.43Å; F67-I71 HydrophobicContact CG-CD1 4.28Å; F67-I71 HydrophobicContact CZ-CD1 3.38Å; F67-I71 HydrophobicContact CZ-CG1 4.26Å; F67-I71 WeakPolarHBondContact O-CG1 3.26Å; F67-I71 PolarHBondContact O-N 3.34Å; F67-F88 HydrophobicContact CB-CE1 4.15Å; F67-F88 HydrophobicContact CD2-CE1 4.42Å; F67-F89 AromaticContact CD2-CD1 3.59Å; F67-F89 HydrophobicContact CD2-CD1 3.59Å; F67-F89 AromaticContact CD2-CE1 3.74Å; F67-F89 HydrophobicContact CD2-CE1 3.74Å; F67-F89 AromaticContact CE2-CD1 3.57Å; F67-F89 HydrophobicContact CE2-CD1 3.57Å; F67-F89 AromaticContact CE2-CE1 3.84Å; F67-F89 HydrophobicContact CE2-CE1 3.84Å; F67-F89 HydrophobicContact CE2-CG 4.46Å; F67-F92 HydrophobicContact CB-CD1 3.89Å; F67-F92 HydrophobicContact CB-CE1 3.73Å; F67-F92 HydrophobicContact CB-CZ 4.39Å; F67-F92 HydrophobicContact CD1-CE1 4.13Å; F67-F92 AromaticContact CD2-CD1 3.66Å; F67-F92 HydrophobicContact CD2-CD1 3.66Å; F67-F92 HydrophobicContact CD2-CE1 4.08Å; F67-F92 HydrophobicContact CE2-CD1 4.28Å; F67-F92 AromaticContact CG-CD1 3.79Å; F67-F92 HydrophobicContact CG-CD1 3.79Å; F67-F92 AromaticContact CG-CE1 3.73Å; F67-F92 HydrophobicContact CG-CE1 3.73Å
68A83.2Confident80.7Confident59 Ų5985.9 Ų85.949%0.48845%0.452SS..Hα-helixtrans-59.8-43.9176.100000111.7S64 V65 I71 Y72S64-A68 WeakPolarHBondContact O-CB 3.49Å; S64-A68 PolarHBondContact O-N 2.98Å; V65-A68 PolarHBondContact O-N 3.16Å; A68-I71 PolarHBondContact O-N 2.72Å; A68-Y72 PolarHBondContact O-N 2.8Å
69H82.6Confident79Confident124 Ų12486.7 Ų86.757%0.57446%0.456SS*.Hα-helixtrans-63.2-45.6176.4-179.169.8000112.3V65 E66 F67 I71 Y72 Y73V65-H69 PolarHBondContact O-N 3.3Å; E66-H69 PolarHBondContact O-N 3.39Å; F67-H69 VanDerWaalsContact C-N 3.33Å; F67-H69 PolarHBondContact O-N 2.95Å; H69-I71 PolarHBondContact O-N 2.86Å; H69-Y72 PolarHBondContact O-N 3.36Å; H69-Y73 WeakPolarHBondContact O-CB 3.26Å; H69-Y73 PolarHBondContact O-N 2.83Å
70K82.8Confident77.3Confident38 Ų3890.2 Ų90.217%0.16548%0.482CS..Hα-helixtrans-67.3-33.6178.9-78.9178.6170.8170.80113E66 F67 F74 F88 F89E66-K70 HydrophobicContact CG-CD 4.14Å; E66-K70 WeakPolarHBondContact O-CB 3.13Å; E66-K70 WeakPolarHBondContact O-CG 3.36Å; E66-K70 PolarHBondContact O-N 2.81Å; E66-K70 VanDerWaalsContact OE1-CE 3.29Å; E66-K70 WeakPolarHBondContact OE1-CE 3.48Å; E66-K70 IonicContact OE1-NZ 3.53Å; E66-K70 PolarHBondContact OE1-NZ 2.83Å; F67-K70 PolarHBondContact O-N 2.85Å; K70-F74 WeakPolarHBondContact O-CB 3.15Å; K70-F74 PolarHBondContact O-N 3.01Å; K70-F88 HydrophobicContact CD-CB 4.34Å; K70-F88 HydrophobicContact CD-CD1 3.51Å; K70-F88 HydrophobicContact CD-CE1 3.97Å; K70-F88 HydrophobicContact CD-CG 3.93Å; K70-F89 HydrophobicContact CB-CE1 3.91Å; K70-F89 HydrophobicContact CB-CZ 4.08Å
71I81.9Confident75.9Confident80 Ų8094.3 Ų94.341%0.4150%0.502SS..Hα-helixtrans-64-48.8171.4-75.8174.8000110.5F67 A68 H69 Y73 F74 S75 F89F67-I71 HydrophobicContact CD1-CD1 3.68Å; F67-I71 HydrophobicContact CD2-CD1 4.41Å; F67-I71 HydrophobicContact CE1-CD1 3.19Å; F67-I71 HydrophobicContact CE1-CG1 4.33Å; F67-I71 HydrophobicContact CE2-CD1 3.99Å; F67-I71 HydrophobicContact CE2-CG1 4.43Å; F67-I71 HydrophobicContact CG-CD1 4.28Å; F67-I71 HydrophobicContact CZ-CD1 3.38Å; F67-I71 HydrophobicContact CZ-CG1 4.26Å; F67-I71 WeakPolarHBondContact O-CG1 3.26Å; F67-I71 PolarHBondContact O-N 3.34Å; A68-I71 PolarHBondContact O-N 2.72Å; H69-I71 PolarHBondContact O-N 2.86Å; I71-Y73 VanDerWaalsContact C-N 3.28Å; I71-Y73 PolarHBondContact O-N 2.99Å; I71-F74 PolarHBondContact O-N 3.33Å; I71-S75 WeakPolarHBondContact O-CB 3.2Å; I71-S75 PolarHBondContact O-N 3.4Å; I71-F89 HydrophobicContact CG1-CE1 4.4Å; I71-F89 HydrophobicContact CG1-CZ 4.43Å
72Y77Confident75Confident159 Ų15991 Ų9162%0.62449%0.489SS*.Hα-helixtrans-57.9-44.4178.1178.3-96.4000111.3A68 H69 S75 N76A68-Y72 PolarHBondContact O-N 2.8Å; H69-Y72 PolarHBondContact O-N 3.36Å; Y72-S75 PolarHBondContact O-N 3.36Å; Y72-N76 WeakPolarHBondContact CE1-ND2 3.38Å; Y72-N76 WeakPolarHBondContact CE2-ND2 3.01Å; Y72-N76 PolarHBondContact O-N 3.36Å; Y72-N76 PolarHBondContact O-ND2 2.89Å
73Y74.6Confident74.2Confident117 Ų11788.7 Ų88.746%0.45948%0.479SS..Hα-helixtrans-65.2-44.3176.9-170.3-100.9000112.5H69 I71 S75 N76 E77H69-Y73 WeakPolarHBondContact O-CB 3.26Å; H69-Y73 PolarHBondContact O-N 2.83Å; I71-Y73 VanDerWaalsContact C-N 3.28Å; I71-Y73 PolarHBondContact O-N 2.99Å; Y73-S75 VanDerWaalsContact C-N 3.28Å; Y73-S75 PolarHBondContact O-N 2.81Å; Y73-N76 PolarHBondContact O-N 2.9Å; Y73-N76 VanDerWaalsContact O-N 3.12Å; Y73-E77 HydrophobicContact CE2-CG 4.38Å; Y73-E77 WeakPolarHBondContact CE2-OE2 3.48Å; Y73-E77 PolarHBondContact O-N 3.08Å; Y73-E77 VanDerWaalsContact O-N 3.11Å; Y73-E77 PolarHBondContact OH-OE2 3.19Å
74F74Confident73.6Confident105 Ų10589.9 Ų89.946%0.46149%0.486SS..Hα-helixtrans-65.2-29.7177.6-165.6-90.5000113K70 I71 N76K70-F74 WeakPolarHBondContact O-CB 3.15Å; K70-F74 PolarHBondContact O-N 3.01Å; I71-F74 PolarHBondContact O-N 3.33Å; F74-N76 VanDerWaalsContact C-N 3.3Å
75S73.6Confident73.1Confident94 Ų9488.3 Ų88.366%0.65747%0.474SS*.Hα-helixtrans-70.8-24.2174.3-176.80000113.1I71 Y72 Y73I71-S75 WeakPolarHBondContact O-CB 3.2Å; I71-S75 PolarHBondContact O-N 3.4Å; Y72-S75 PolarHBondContact O-N 3.36Å; Y73-S75 VanDerWaalsContact C-N 3.28Å; Y73-S75 PolarHBondContact O-N 2.81Å
76N72.7Confident73Confident96 Ų9689.8 Ų89.851%0.51347%0.473SS..Hα-helixtrans-109.5-18.7-168.9-68.9-25.2000114.2Y72 Y73 F74Y72-N76 WeakPolarHBondContact CE1-ND2 3.38Å; Y72-N76 WeakPolarHBondContact CE2-ND2 3.01Å; Y72-N76 PolarHBondContact O-N 3.36Å; Y72-N76 PolarHBondContact O-ND2 2.89Å; Y73-N76 PolarHBondContact O-N 2.9Å; Y73-N76 VanDerWaalsContact O-N 3.12Å; F74-N76 VanDerWaalsContact C-N 3.3Å
77E64.5Low72.8Confident114 Ų11488 Ų8853%0.53347%0.469SS..SBendtrans-130153.4-176-72.3-163.5179.600116Y73Y73-E77 HydrophobicContact CE2-CG 4.38Å; Y73-E77 WeakPolarHBondContact CE2-OE2 3.48Å; Y73-E77 PolarHBondContact O-N 3.08Å; Y73-E77 VanDerWaalsContact O-N 3.11Å; Y73-E77 PolarHBondContact OH-OE2 3.19Å
78V55.8Low72.7Confident133 Ų13384.6 Ų84.681%0.80645%0.454SS*.  trans-77.9137.9-173.3176.40000113.1V80V78-V80 VanDerWaalsContact C-N 3.28Å; V78-V80 PolarHBondContact O-N 2.83Å
79L53.2Low72.9Confident124 Ų12483.9 Ų83.965%0.64944%0.44SS*.SBendtrans-43.814.5-168.7-102.197.5000122.5N81 A82L79-N81 PolarHBondContact O-N 2.9Å; L79-N81 VanDerWaalsContact O-N 3.09Å; L79-A82 HydrophobicContact CD2-CB 4.21Å; L79-A82 HydrophobicContact CG-CB 4.34Å; L79-A82 PolarHBondContact O-N 2.85Å
80V55.6Low73.1Confident126 Ų12681.9 Ų81.976%0.76443%0.433SS*.THydrogen-bonded Turntrans-66.3-20.5-167.9-174.60000114V78V78-V80 VanDerWaalsContact C-N 3.28Å; V78-V80 PolarHBondContact O-N 2.83Å
81N59.7Low73.4Confident105 Ų10582.4 Ų82.456%0.56143%0.434SS*.THydrogen-bonded Turntrans-131.444.7177.4-86.4-38.4000113L79 G83 P84L79-N81 PolarHBondContact O-N 2.9Å; L79-N81 VanDerWaalsContact O-N 3.09Å; N81-G83 VanDerWaalsContact C-N 3.28Å; N81-G83 PolarHBondContact O-N 3.41Å; N81-P84 WeakPolarHBondContact O-CD 3.19Å
82A67.7Low73.8Confident32 Ų3278.9 Ų78.926%0.26442%0.416SS..Hα-helixtrans-64.1-26.9-178.100000114.4L79 C85 F86L79-A82 HydrophobicContact CD2-CB 4.21Å; L79-A82 HydrophobicContact CG-CB 4.34Å; L79-A82 PolarHBondContact O-N 2.85Å; A82-C85 PolarHBondContact O-N 3.25Å; A82-F86 WeakPolarHBondContact O-CB 3.44Å; A82-F86 PolarHBondContact O-N 2.85Å
83G70.9Confident74.5Confident32 Ų3274 Ų7433%0.3341%0.409SS..Hα-helixtrans-56.3-55.6-174.200000114.9N81 C85 F86 C87N81-G83 VanDerWaalsContact C-N 3.28Å; N81-G83 PolarHBondContact O-N 3.41Å; G83-C85 PolarHBondContact O-N 2.73Å; G83-F86 PolarHBondContact O-N 2.82Å; G83-C87 WeakPolarHBondContact O-CB 3.42Å; G83-C87 PolarHBondContact O-N 3.16Å; G83-C87 PolarHBondContact O-SG 2.83Å
84P72.5Confident75.3Confident32 Ų3273.3 Ų73.321%0.20841%0.412CS..Hα-helixtrans-61.3-38.3176.5-2634.8000114.2F4 N81 C87 F88F4-P84 HydrophobicContact CD1-CG 4.01Å; F4-P84 HydrophobicContact CE1-CG 3.66Å; N81-P84 WeakPolarHBondContact O-CD 3.19Å; P84-C87 PolarHBondContact O-N 3.31Å; P84-F88 WeakPolarHBondContact O-CB 3.48Å; P84-F88 PolarHBondContact O-N 2.62Å
85C77Confident76.2Confident22 Ų2268.5 Ų68.515%0.14939%0.391CS..Hα-helixtrans-65.5-45.6177.1-71.20000111.4A82 G83 F88 F89A82-C85 PolarHBondContact O-N 3.25Å; G83-C85 PolarHBondContact O-N 2.73Å; C85-F88 WeakPolarHBondContact O-CB 3.47Å; C85-F88 PolarHBondContact O-N 3.08Å; C85-F89 HydrophobicContact CB-CE2 4.41Å; C85-F89 WeakPolarHBondContact O-CD2 3.4Å; C85-F89 VanDerWaalsContact O-CG 3.31Å; C85-F89 WeakPolarHBondContact O-CG 3.07Å; C85-F89 PolarHBondContact O-N 2.69Å
86F81.4Confident77Confident135 Ų13567.4 Ų67.459%0.59238%0.378SS*.Hα-helixtrans-63.2-42.4175.7-170.7-103.5000112.2A82 G83 F88 F89 I90A82-F86 WeakPolarHBondContact O-CB 3.44Å; A82-F86 PolarHBondContact O-N 2.85Å; G83-F86 PolarHBondContact O-N 2.82Å; F86-F88 VanDerWaalsContact C-N 3.28Å; F86-F88 PolarHBondContact O-N 3.13Å; F86-F89 PolarHBondContact O-N 2.95Å; F86-I90 HydrophobicContact CD1-CD1 3.65Å; F86-I90 HydrophobicContact CD1-CG1 4.44Å; F86-I90 HydrophobicContact CE1-CD1 3.25Å; F86-I90 HydrophobicContact CE1-CG1 4.18Å; F86-I90 HydrophobicContact CZ-CD1 3.84Å; F86-I90 HydrophobicContact CZ-CG1 4.42Å; F86-I90 WeakPolarHBondContact O-CG1 3.17Å; F86-I90 PolarHBondContact O-N 3.1Å
87C81.5Confident78Confident47 Ų4767.2 Ų67.232%0.31838%0.376SS..Hα-helixtrans-57.7-42.3172.8-720000111.9G83 P84 Y91G83-C87 WeakPolarHBondContact O-CB 3.42Å; G83-C87 PolarHBondContact O-N 3.16Å; G83-C87 PolarHBondContact O-SG 2.83Å; P84-C87 PolarHBondContact O-N 3.31Å; C87-Y91 VanDerWaalsContact O-CB 3.3Å; C87-Y91 WeakPolarHBondContact O-CB 3.23Å; C87-Y91 PolarHBondContact O-N 3.08Å
88F84.6Confident79.2Confident3 Ų364.9 Ų64.91%0.01337%0.365CS..Hα-helixtrans-66-43.9176.6175.6-94000111.7E66 F67 K70 P84 C85 F86 I90 Y91 F92E66-F88 HydrophobicContact CB-CE1 4.44Å; E66-F88 HydrophobicContact CB-CE2 4.36Å; E66-F88 HydrophobicContact CB-CZ 3.78Å; E66-F88 VanDerWaalsContact CD-CZ 3.48Å; E66-F88 HydrophobicContact CG-CE1 4.16Å; E66-F88 HydrophobicContact CG-CE2 3.94Å; E66-F88 HydrophobicContact CG-CZ 3.66Å; E66-F88 WeakPolarHBondContact OE1-CD2 3.11Å; E66-F88 VanDerWaalsContact OE1-CE2 3.29Å; E66-F88 WeakPolarHBondContact OE1-CE2 3.3Å; E66-F88 WeakPolarHBondContact OE2-CE2 3.31Å; F67-F88 HydrophobicContact CB-CE1 4.15Å; F67-F88 HydrophobicContact CD2-CE1 4.42Å; K70-F88 HydrophobicContact CD-CB 4.34Å; K70-F88 HydrophobicContact CD-CD1 3.51Å; K70-F88 HydrophobicContact CD-CE1 3.97Å; K70-F88 HydrophobicContact CD-CG 3.93Å; P84-F88 WeakPolarHBondContact O-CB 3.48Å; P84-F88 PolarHBondContact O-N 2.62Å; C85-F88 WeakPolarHBondContact O-CB 3.47Å; C85-F88 PolarHBondContact O-N 3.08Å; F86-F88 VanDerWaalsContact C-N 3.28Å; F86-F88 PolarHBondContact O-N 3.13Å; F88-I90 VanDerWaalsContact C-N 3.34Å; F88-I90 PolarHBondContact O-N 3.19Å; F88-Y91 AromaticContact CD2-CD1 3.96Å; F88-Y91 HydrophobicContact CD2-CD1 3.96Å; F88-Y91 HydrophobicContact CD2-CE1 4.41Å; F88-Y91 HydrophobicContact CE2-CD1 4.11Å; F88-Y91 HydrophobicContact CE2-CE1 4.17Å; F88-Y91 PolarHBondContact O-N 3.22Å; F88-F92 HydrophobicContact CE1-CB 4.13Å; F88-F92 HydrophobicContact CE1-CG 4.45Å; F88-F92 HydrophobicContact CZ-CB 4.16Å; F88-F92 HydrophobicContact CZ-CG 4.36Å; F88-F92 VanDerWaalsContact O-CB 3.31Å; F88-F92 WeakPolarHBondContact O-CB 3.43Å; F88-F92 PolarHBondContact O-N 2.71Å
89F87.2Confident80.8Confident44 Ų4459.1 Ų59.119%0.19333%0.33CS..Hα-helixtrans-60.8-41.9177.7-64.6-34.3000112.3F67 K70 I71 C85 F86 A93F67-F89 AromaticContact CD2-CD1 3.59Å; F67-F89 HydrophobicContact CD2-CD1 3.59Å; F67-F89 AromaticContact CD2-CE1 3.74Å; F67-F89 HydrophobicContact CD2-CE1 3.74Å; F67-F89 AromaticContact CE2-CD1 3.57Å; F67-F89 HydrophobicContact CE2-CD1 3.57Å; F67-F89 AromaticContact CE2-CE1 3.84Å; F67-F89 HydrophobicContact CE2-CE1 3.84Å; F67-F89 HydrophobicContact CE2-CG 4.46Å; K70-F89 HydrophobicContact CB-CE1 3.91Å; K70-F89 HydrophobicContact CB-CZ 4.08Å; I71-F89 HydrophobicContact CG1-CE1 4.4Å; I71-F89 HydrophobicContact CG1-CZ 4.43Å; C85-F89 HydrophobicContact CB-CE2 4.41Å; C85-F89 WeakPolarHBondContact O-CD2 3.4Å; C85-F89 VanDerWaalsContact O-CG 3.31Å; C85-F89 WeakPolarHBondContact O-CG 3.07Å; C85-F89 PolarHBondContact O-N 2.69Å; F86-F89 PolarHBondContact O-N 2.95Å; F89-A93 VanDerWaalsContact O-CB 3.23Å; F89-A93 WeakPolarHBondContact O-CB 3.38Å; F89-A93 PolarHBondContact O-N 3.36Å
90I87.9Confident82.5Confident82 Ų8258.9 Ų58.942%0.42132%0.324SS..Hα-helixtrans-63-50.4173.1-67.8171.1000110.7F86 F88 F92 A93 L94F86-I90 HydrophobicContact CD1-CD1 3.65Å; F86-I90 HydrophobicContact CD1-CG1 4.44Å; F86-I90 HydrophobicContact CE1-CD1 3.25Å; F86-I90 HydrophobicContact CE1-CG1 4.18Å; F86-I90 HydrophobicContact CZ-CD1 3.84Å; F86-I90 HydrophobicContact CZ-CG1 4.42Å; F86-I90 WeakPolarHBondContact O-CG1 3.17Å; F86-I90 PolarHBondContact O-N 3.1Å; F88-I90 VanDerWaalsContact C-N 3.34Å; F88-I90 PolarHBondContact O-N 3.19Å; I90-F92 VanDerWaalsContact C-N 3.33Å; I90-F92 PolarHBondContact O-N 3.45Å; I90-A93 PolarHBondContact O-N 2.85Å; I90-L94 HydrophobicContact CG2-CD1 3.97Å; I90-L94 HydrophobicContact CG2-CG 4.39Å; I90-L94 VanDerWaalsContact O-CG 3.32Å; I90-L94 WeakPolarHBondContact O-CG 3.47Å; I90-L94 PolarHBondContact O-N 3.27Å
91Y88.5Confident84.1Confident49 Ų4957.8 Ų57.819%0.19231%0.314CS..Hα-helixtrans-55.1-49.3178.3155.4-100.2000111.4L27 M31 C87 F88 L94 V95L27-Y91 HydrophobicContact CD1-CE2 4.5Å; L27-Y91 WeakPolarHBondContact CD1-OH 3.33Å; L27-Y91 HydrophobicContact CD2-CE1 4.11Å; L27-Y91 HydrophobicContact CD2-CE2 4.29Å; M31-Y91 HydrophobicContact CE-CE2 4.08Å; M31-Y91 HydrophobicContact SD-CE2 4.24Å; C87-Y91 VanDerWaalsContact O-CB 3.3Å; C87-Y91 WeakPolarHBondContact O-CB 3.23Å; C87-Y91 PolarHBondContact O-N 3.08Å; F88-Y91 AromaticContact CD2-CD1 3.96Å; F88-Y91 HydrophobicContact CD2-CD1 3.96Å; F88-Y91 HydrophobicContact CD2-CE1 4.41Å; F88-Y91 HydrophobicContact CE2-CD1 4.11Å; F88-Y91 HydrophobicContact CE2-CE1 4.17Å; F88-Y91 PolarHBondContact O-N 3.22Å; Y91-L94 WeakPolarHBondContact O-CB 3.43Å; Y91-L94 PolarHBondContact O-N 3.47Å; Y91-V95 HydrophobicContact CD2-CG2 3.96Å; Y91-V95 HydrophobicContact CE1-CG2 4.27Å; Y91-V95 HydrophobicContact CE2-CG2 3.36Å; Y91-V95 WeakPolarHBondContact O-CG2 3.2Å; Y91-V95 PolarHBondContact O-N 3.48Å
92F90.5Very high85.3Confident6 Ų654 Ų543%0.02630%0.295CS..Hα-helixtrans-67-40.2-178.3-175.4-116.8000111.5S60 F67 F88 I90 L94 V95 L96S60-F92 WeakPolarHBondContact O-CE2 3.43Å; F67-F92 HydrophobicContact CB-CD1 3.89Å; F67-F92 HydrophobicContact CB-CE1 3.73Å; F67-F92 HydrophobicContact CB-CZ 4.39Å; F67-F92 HydrophobicContact CD1-CE1 4.13Å; F67-F92 AromaticContact CD2-CD1 3.66Å; F67-F92 HydrophobicContact CD2-CD1 3.66Å; F67-F92 HydrophobicContact CD2-CE1 4.08Å; F67-F92 HydrophobicContact CE2-CD1 4.28Å; F67-F92 AromaticContact CG-CD1 3.79Å; F67-F92 HydrophobicContact CG-CD1 3.79Å; F67-F92 AromaticContact CG-CE1 3.73Å; F67-F92 HydrophobicContact CG-CE1 3.73Å; F88-F92 HydrophobicContact CE1-CB 4.13Å; F88-F92 HydrophobicContact CE1-CG 4.45Å; F88-F92 HydrophobicContact CZ-CB 4.16Å; F88-F92 HydrophobicContact CZ-CG 4.36Å; F88-F92 VanDerWaalsContact O-CB 3.31Å; F88-F92 WeakPolarHBondContact O-CB 3.43Å; F88-F92 PolarHBondContact O-N 2.71Å; I90-F92 VanDerWaalsContact C-N 3.33Å; I90-F92 PolarHBondContact O-N 3.45Å; F92-L94 VanDerWaalsContact C-N 3.3Å; F92-L94 PolarHBondContact O-N 2.75Å; F92-V95 PolarHBondContact O-N 3Å; F92-L96 HydrophobicContact CD1-CD1 3.93Å; F92-L96 HydrophobicContact CD1-CG 4.36Å; F92-L96 HydrophobicContact CE1-CD1 3.52Å; F92-L96 HydrophobicContact CE1-CD2 4.44Å; F92-L96 HydrophobicContact CE1-CG 4.01Å; F92-L96 HydrophobicContact CE2-CD2 4.33Å; F92-L96 HydrophobicContact CE2-CG 4.22Å; F92-L96 HydrophobicContact CZ-CD1 3.9Å; F92-L96 HydrophobicContact CZ-CD2 3.95Å; F92-L96 HydrophobicContact CZ-CG 3.92Å; F92-L96 WeakPolarHBondContact O-CB 3.3Å; F92-L96 WeakPolarHBondContact O-CG 3.23Å; F92-L96 PolarHBondContact O-N 2.67Å
93A91.5Very high86.1Confident57 Ų5754.3 Ų54.347%0.47130%0.295SS..Hα-helixtrans-60-40.2172.400000112F89 I90 L96 L97F89-A93 VanDerWaalsContact O-CB 3.23Å; F89-A93 WeakPolarHBondContact O-CB 3.38Å; F89-A93 PolarHBondContact O-N 3.36Å; I90-A93 PolarHBondContact O-N 2.85Å; A93-L96 PolarHBondContact O-N 3.14Å; A93-L97 WeakPolarHBondContact O-CB 3.35Å; A93-L97 PolarHBondContact O-N 3.4Å
94L91.9Very high86.8Confident101 Ų10160 Ų6053%0.52931%0.307SS..Hα-helixtrans-67.9-39.5174.6-70173.3000112.3I90 Y91 F92 L97 Q98I90-L94 HydrophobicContact CG2-CD1 3.97Å; I90-L94 HydrophobicContact CG2-CG 4.39Å; I90-L94 VanDerWaalsContact O-CG 3.32Å; I90-L94 WeakPolarHBondContact O-CG 3.47Å; I90-L94 PolarHBondContact O-N 3.27Å; Y91-L94 WeakPolarHBondContact O-CB 3.43Å; Y91-L94 PolarHBondContact O-N 3.47Å; F92-L94 VanDerWaalsContact C-N 3.3Å; F92-L94 PolarHBondContact O-N 2.75Å; L94-L97 PolarHBondContact O-N 3.39Å; L94-Q98 VanDerWaalsContact O-CB 3.3Å; L94-Q98 WeakPolarHBondContact O-CB 3.27Å; L94-Q98 PolarHBondContact O-N 3.39Å
95V91.4Very high87.2Confident4 Ų460.2 Ų60.22%0.02431%0.312CS..Hα-helixtrans-64.1-43.3174.31690000111F59 Y91 F92 Q98 T99F59-V95 HydrophobicContact CB-CG1 3.87Å; Y91-V95 HydrophobicContact CD2-CG2 3.96Å; Y91-V95 HydrophobicContact CE1-CG2 4.27Å; Y91-V95 HydrophobicContact CE2-CG2 3.36Å; Y91-V95 WeakPolarHBondContact O-CG2 3.2Å; Y91-V95 PolarHBondContact O-N 3.48Å; F92-V95 PolarHBondContact O-N 3Å; V95-Q98 PolarHBondContact O-N 3.37Å; V95-T99 VanDerWaalsContact O-CB 3.31Å; V95-T99 WeakPolarHBondContact O-CB 3.21Å; V95-T99 PolarHBondContact O-N 3.12Å; V95-T99 PolarHBondContact O-OG1 3.47Å
96L91.5Very high87.2Confident72 Ų7264.6 Ų64.638%0.37733%0.334SS..Hα-helixtrans-61-46174.5-74.5177.7000111S60 F92 A93 T99 F100S60-L96 VanDerWaalsContact OG-CD2 3.22Å; S60-L96 WeakPolarHBondContact OG-CD2 3.31Å; F92-L96 HydrophobicContact CD1-CD1 3.93Å; F92-L96 HydrophobicContact CD1-CG 4.36Å; F92-L96 HydrophobicContact CE1-CD1 3.52Å; F92-L96 HydrophobicContact CE1-CD2 4.44Å; F92-L96 HydrophobicContact CE1-CG 4.01Å; F92-L96 HydrophobicContact CE2-CD2 4.33Å; F92-L96 HydrophobicContact CE2-CG 4.22Å; F92-L96 HydrophobicContact CZ-CD1 3.9Å; F92-L96 HydrophobicContact CZ-CD2 3.95Å; F92-L96 HydrophobicContact CZ-CG 3.92Å; F92-L96 WeakPolarHBondContact O-CB 3.3Å; F92-L96 WeakPolarHBondContact O-CG 3.23Å; F92-L96 PolarHBondContact O-N 2.67Å; A93-L96 PolarHBondContact O-N 3.14Å; L96-T99 PolarHBondContact O-N 2.94Å; L96-F100 VanDerWaalsContact O-CB 3.26Å; L96-F100 WeakPolarHBondContact O-CB 3.2Å; L96-F100 PolarHBondContact O-N 2.85Å
97L92.3Very high86.6Confident92 Ų9264.2 Ų64.248%0.48235%0.348SS..Hα-helixtrans-60.9-44.9176-177.464.9000111.4A93 L94 F100 L101A93-L97 WeakPolarHBondContact O-CB 3.35Å; A93-L97 PolarHBondContact O-N 3.4Å; L94-L97 PolarHBondContact O-N 3.39Å; L97-F100 PolarHBondContact O-N 2.87Å; L97-L101 HydrophobicContact CD1-CD1 4.33Å; L97-L101 HydrophobicContact CD1-CG 4.37Å; L97-L101 HydrophobicContact CG-CD1 4.03Å; L97-L101 HydrophobicContact CG-CG 4.45Å; L97-L101 WeakPolarHBondContact O-CB 3.17Å; L97-L101 VanDerWaalsContact O-CG 3.23Å; L97-L101 WeakPolarHBondContact O-CG 3.29Å; L97-L101 PolarHBondContact O-N 2.93Å
98Q90.6Very high85.8Confident65 Ų6567.6 Ų67.630%0.30436%0.355SS..Hα-helixtrans-66.8-40.9178.7-167.1-178.6-0.600111.7L56 L94 V95 F100 L101 S102L56-Q98 HydrophobicContact CD1-CB 4.5Å; L56-Q98 HydrophobicContact CD1-CG 3.77Å; L56-Q98 HydrophobicContact CD2-CB 4.45Å; L56-Q98 HydrophobicContact CD2-CG 4.14Å; L94-Q98 VanDerWaalsContact O-CB 3.3Å; L94-Q98 WeakPolarHBondContact O-CB 3.27Å; L94-Q98 PolarHBondContact O-N 3.39Å; V95-Q98 PolarHBondContact O-N 3.37Å; Q98-F100 VanDerWaalsContact C-N 3.33Å; Q98-L101 PolarHBondContact O-N 3.36Å; Q98-S102 VanDerWaalsContact O-CB 3.29Å; Q98-S102 WeakPolarHBondContact O-CB 3.44Å; Q98-S102 PolarHBondContact O-N 2.89Å; Q98-S102 PolarHBondContact O-OG 2.84Å
99T89.8Confident84.5Confident12 Ų1270.9 Ų70.97%0.07439%0.389CS..Hα-helixtrans-60.7-46.6174.2-54.20000109.8L56 V95 L96 S102 C103L56-T99 PolarHBondContact O-OG1 3.44Å; V95-T99 VanDerWaalsContact O-CB 3.31Å; V95-T99 WeakPolarHBondContact O-CB 3.21Å; V95-T99 PolarHBondContact O-N 3.12Å; V95-T99 PolarHBondContact O-OG1 3.47Å; L96-T99 PolarHBondContact O-N 2.94Å; T99-S102 PolarHBondContact O-N 3.3Å; T99-S102 PolarHBondContact O-OG 3Å; T99-C103 PolarHBondContact O-N 3.44Å
100F89.1Confident82.9Confident118 Ų11879.7 Ų79.752%0.51842%0.423SS..Hα-helixtrans-60.7-50.5176.6-179.7-100.6000111.6L96 L97 Q98 S102 C103 W104L96-F100 VanDerWaalsContact O-CB 3.26Å; L96-F100 WeakPolarHBondContact O-CB 3.2Å; L96-F100 PolarHBondContact O-N 2.85Å; L97-F100 PolarHBondContact O-N 2.87Å; Q98-F100 VanDerWaalsContact C-N 3.33Å; F100-S102 VanDerWaalsContact C-N 3.26Å; F100-S102 PolarHBondContact O-N 3.18Å; F100-C103 WeakPolarHBondContact O-CB 3.48Å; F100-C103 PolarHBondContact O-N 3.25Å; F100-W104 HydrophobicContact CD1-CH2 4.41Å; F100-W104 AromaticContact CD1-CZ3 3.73Å; F100-W104 HydrophobicContact CD1-CZ3 3.73Å; F100-W104 HydrophobicContact CD2-CH2 4.26Å; F100-W104 AromaticContact CD2-CZ3 3.96Å; F100-W104 HydrophobicContact CD2-CZ3 3.96Å; F100-W104 AromaticContact CE1-CH2 3.74Å; F100-W104 HydrophobicContact CE1-CH2 3.74Å; F100-W104 AromaticContact CE1-CZ3 3.45Å; F100-W104 HydrophobicContact CE1-CZ3 3.45Å; F100-W104 VanDerWaalsContact CE1-CZ3 3.45Å; F100-W104 AromaticContact CE2-CH2 3.57Å; F100-W104 HydrophobicContact CE2-CH2 3.57Å; F100-W104 AromaticContact CE2-CZ3 3.72Å; F100-W104 HydrophobicContact CE2-CZ3 3.72Å; F100-W104 AromaticContact CG-CZ3 3.98Å; F100-W104 HydrophobicContact CG-CZ3 3.98Å; F100-W104 AromaticContact CZ-CH2 3.28Å; F100-W104 HydrophobicContact CZ-CH2 3.28Å; F100-W104 HydrophobicContact CZ-CZ2 4.49Å; F100-W104 AromaticContact CZ-CZ3 3.47Å; F100-W104 HydrophobicContact CZ-CZ3 3.47Å; F100-W104 VanDerWaalsContact CZ-CZ3 3.47Å; F100-W104 WeakPolarHBondContact O-CZ3 3.33Å
101L87.8Confident81.4Confident104 Ų10482.1 Ų82.155%0.54543%0.43SS..Hα-helixtrans-59.9-36.3177.3-70.1172.5000112.1L97 Q98 C103 W104L97-L101 HydrophobicContact CD1-CD1 4.33Å; L97-L101 HydrophobicContact CD1-CG 4.37Å; L97-L101 HydrophobicContact CG-CD1 4.03Å; L97-L101 HydrophobicContact CG-CG 4.45Å; L97-L101 WeakPolarHBondContact O-CB 3.17Å; L97-L101 VanDerWaalsContact O-CG 3.23Å; L97-L101 WeakPolarHBondContact O-CG 3.29Å; L97-L101 PolarHBondContact O-N 2.93Å; Q98-L101 PolarHBondContact O-N 3.36Å; L101-C103 PolarHBondContact O-N 2.81Å; L101-W104 PolarHBondContact O-N 3.48Å
102S86.2Confident79.7Confident25 Ų2586.2 Ų86.218%0.17546%0.46CS..THydrogen-bonded Turntrans-67.9-10.9177.5770000114.6F53 Q98 T99 F100 W104F53-S102 VanDerWaalsContact CD2-OG 3.27Å; F53-S102 WeakPolarHBondContact CD2-OG 3.41Å; Q98-S102 VanDerWaalsContact O-CB 3.29Å; Q98-S102 WeakPolarHBondContact O-CB 3.44Å; Q98-S102 PolarHBondContact O-N 2.89Å; Q98-S102 PolarHBondContact O-OG 2.84Å; T99-S102 PolarHBondContact O-N 3.3Å; T99-S102 PolarHBondContact O-OG 3Å; F100-S102 VanDerWaalsContact C-N 3.26Å; F100-S102 PolarHBondContact O-N 3.18Å; S102-W104 PolarHBondContact O-N 2.83Å
103C84.8Confident78.1Confident38 Ų3891.9 Ų91.926%0.25748%0.482SS..THydrogen-bonded Turntrans-67.8-24.4170-65.90000112.2T99 F100 L101 S127T99-C103 PolarHBondContact O-N 3.44Å; F100-C103 WeakPolarHBondContact O-CB 3.48Å; F100-C103 PolarHBondContact O-N 3.25Å; L101-C103 PolarHBondContact O-N 2.81Å; C103-S127 WeakPolarHBondContact O-CB 3.43Å; C103-S127 PolarHBondContact O-OG 2.94Å
104W84.6Confident76.4Confident151 Ų15196.7 Ų96.757%0.57250%0.498SS*.SBendtrans-97.4156.9173.8-70.3-91.1000111F100 L101 S102F100-W104 HydrophobicContact CD1-CH2 4.41Å; F100-W104 AromaticContact CD1-CZ3 3.73Å; F100-W104 HydrophobicContact CD1-CZ3 3.73Å; F100-W104 HydrophobicContact CD2-CH2 4.26Å; F100-W104 AromaticContact CD2-CZ3 3.96Å; F100-W104 HydrophobicContact CD2-CZ3 3.96Å; F100-W104 AromaticContact CE1-CH2 3.74Å; F100-W104 HydrophobicContact CE1-CH2 3.74Å; F100-W104 AromaticContact CE1-CZ3 3.45Å; F100-W104 HydrophobicContact CE1-CZ3 3.45Å; F100-W104 VanDerWaalsContact CE1-CZ3 3.45Å; F100-W104 AromaticContact CE2-CH2 3.57Å; F100-W104 HydrophobicContact CE2-CH2 3.57Å; F100-W104 AromaticContact CE2-CZ3 3.72Å; F100-W104 HydrophobicContact CE2-CZ3 3.72Å; F100-W104 AromaticContact CG-CZ3 3.98Å; F100-W104 HydrophobicContact CG-CZ3 3.98Å; F100-W104 AromaticContact CZ-CH2 3.28Å; F100-W104 HydrophobicContact CZ-CH2 3.28Å; F100-W104 HydrophobicContact CZ-CZ2 4.49Å; F100-W104 AromaticContact CZ-CZ3 3.47Å; F100-W104 HydrophobicContact CZ-CZ3 3.47Å; F100-W104 VanDerWaalsContact CZ-CZ3 3.47Å; F100-W104 WeakPolarHBondContact O-CZ3 3.33Å; L101-W104 PolarHBondContact O-N 3.48Å; S102-W104 PolarHBondContact O-N 2.83Å
105A80.6Confident74.8Confident38 Ų3894.8 Ų94.831%0.31449%0.488SS..PPolyproline II helixtrans-89.1146.4175.200000110.1I47 F125I47-A105 HydrophobicContact CG2-CB 4.14Å; A105-F125 WeakPolarHBondContact CB-O 3.18Å
106D77.1Confident73.2Confident114 Ų114104 Ų10461%0.6153%0.528SS*.PPolyproline II helixtrans-64.3148.8171.7-68.7-23000110.9I47I47-D106 HydrophobicContact CG2-CB 4.43Å
107S68.7Low72.2Confident127 Ų127106.1 Ų106.189%0.88854%0.54SS*.PPolyproline II helixtrans-68.7141.317658.10000111.2
108Y65.3Low71.6Confident118 Ų118102.5 Ų102.546%0.46352%0.52SS..  trans-114131-178.170.2-86000110.2W113 F125Y108-W113 HydrophobicContact CD2-CH2 4.31Å; Y108-W113 HydrophobicContact CD2-CZ2 4.49Å; Y108-W113 AromaticContact CE2-CH2 3.8Å; Y108-W113 HydrophobicContact CE2-CH2 3.8Å; Y108-W113 AromaticContact CE2-CZ2 3.89Å; Y108-W113 HydrophobicContact CE2-CZ2 3.89Å; Y108-F125 HydrophobicContact CD1-CB 4.11Å; Y108-F125 AromaticContact CD1-CD1 3.48Å; Y108-F125 HydrophobicContact CD1-CD1 3.48Å; Y108-F125 VanDerWaalsContact CD1-CD1 3.48Å; Y108-F125 HydrophobicContact CD1-CE1 4.18Å; Y108-F125 AromaticContact CD1-CG 3.91Å; Y108-F125 HydrophobicContact CD1-CG 3.91Å; Y108-F125 AromaticContact CD2-CD1 3.91Å; Y108-F125 HydrophobicContact CD2-CD1 3.91Å; Y108-F125 AromaticContact CD2-CE1 3.75Å; Y108-F125 HydrophobicContact CD2-CE1 3.75Å; Y108-F125 HydrophobicContact CD2-CZ 4.49Å; Y108-F125 HydrophobicContact CE1-CB 4.17Å; Y108-F125 AromaticContact CE1-CD1 3.83Å; Y108-F125 HydrophobicContact CE1-CD1 3.83Å; Y108-F125 HydrophobicContact CE1-CD2 4.46Å; Y108-F125 HydrophobicContact CE1-CE1 4.43Å; Y108-F125 AromaticContact CE1-CG 3.89Å; Y108-F125 HydrophobicContact CE1-CG 3.89Å; Y108-F125 HydrophobicContact CE2-CD1 4.24Å; Y108-F125 HydrophobicContact CE2-CE1 4.03Å; Y108-F125 HydrophobicContact CE2-CZ 4.37Å; Y108-F125 AromaticContact CG-CD1 3.53Å; Y108-F125 HydrophobicContact CG-CD1 3.53Å; Y108-F125 AromaticContact CG-CE1 3.84Å; Y108-F125 HydrophobicContact CG-CE1 3.84Å; Y108-F125 HydrophobicContact CG-CG 4.39Å
109G57.3Low71.1Confident72 Ų72102.2 Ų102.274%0.74252%0.524SS*.  trans-128.8-3.3-17400000117.2
110Y53.6Low70.6Confident228 Ų228103.6 Ų103.689%0.89453%0.533SS*.  trans-13814.9-161.7-99.8-82.4000118
111F56.2Low70.4Confident133 Ų13398.2 Ų98.258%0.58351%0.51SS*.PPolyproline II helixtrans-86.4125.6172.4-89.7-83.4000111.6W113F111-W113 HydrophobicContact CB-CH2 4.28Å; F111-W113 HydrophobicContact CB-CZ2 4.5Å; F111-W113 HydrophobicContact CB-CZ3 4.36Å; F111-W113 PolarHBondContact O-NE1 2.96Å
112V53.1Low70.2Confident135 Ų13595.2 Ų95.282%0.81850%0.497SS*.PPolyproline II helixtrans-84.4124.7169.4178.60000108.2
113W56.8Low70.1Confident126 Ų12694.7 Ų94.748%0.47749%0.492SS..PPolyproline II helixtrans-87.5135.3-171.1-4398.3000111.6Y108 F111 P120 F125Y108-W113 HydrophobicContact CD2-CH2 4.31Å; Y108-W113 HydrophobicContact CD2-CZ2 4.49Å; Y108-W113 AromaticContact CE2-CH2 3.8Å; Y108-W113 HydrophobicContact CE2-CH2 3.8Å; Y108-W113 AromaticContact CE2-CZ2 3.89Å; Y108-W113 HydrophobicContact CE2-CZ2 3.89Å; F111-W113 HydrophobicContact CB-CH2 4.28Å; F111-W113 HydrophobicContact CB-CZ2 4.5Å; F111-W113 HydrophobicContact CB-CZ3 4.36Å; F111-W113 PolarHBondContact O-NE1 2.96Å; W113-P120 HydrophobicContact CE3-CB 4.08Å; W113-P120 HydrophobicContact CE3-CG 4.04Å; W113-P120 HydrophobicContact CH2-CB 4.39Å; W113-P120 HydrophobicContact CH2-CG 3.84Å; W113-P120 HydrophobicContact CZ3-CB 3.62Å; W113-P120 HydrophobicContact CZ3-CG 3.51Å; W113-F125 HydrophobicContact CH2-CE1 4.24Å; W113-F125 HydrophobicContact CH2-CE2 4.43Å; W113-F125 AromaticContact CH2-CZ 3.65Å; W113-F125 HydrophobicContact CH2-CZ 3.65Å; W113-F125 AromaticContact CZ3-CZ 3.81Å; W113-F125 HydrophobicContact CZ3-CZ 3.81Å
114I55.1Low69.8Low157 Ų15795.5 Ų95.581%0.80549%0.493SS*.SBendtrans-88-41.7176.4-60.2171.9000110.6
115D58.2Low69.5Low61 Ų6189.8 Ų89.833%0.32647%0.473SS..  trans-87.5121.3179-167-14.4000110.4D117 A156D115-D117 PolarHBondContact OD1-N 3.46Å; D115-A156 HydrophobicContact CB-CB 4.31Å
116K59.4Low69.8Low197 Ų19788.5 Ų88.586%0.85746%0.462SS*.SBendtrans-95.3-16-179.9-68.9-175.3179-179.80112.7
117D69.2Low70.3Confident118 Ų11883.5 Ų83.563%0.63144%0.436SS*.SBendtrans-94.1-28.4-168.4-63.1-28.2000112D115D115-D117 PolarHBondContact OD1-N 3.46Å
118H79.5Confident71.3Confident15 Ų1579.7 Ų79.77%0.06940%0.403CS..SBendtrans-124.5138.8-178.9-68.1-79000114Y151 L154 A156H118-Y151 AromaticContact CE1-CD1 3.73Å; H118-Y151 AromaticContact CE1-CE1 3.49Å; H118-Y151 VanDerWaalsContact CE1-CE1 3.49Å; H118-Y151 WeakPolarHBondContact CE1-CE1 3.45Å; H118-Y151 AromaticContact CE1-CZ 3.95Å; H118-Y151 PolarHBondContact CE1-O 3.35Å; H118-Y151 AromaticContact NE2-CD1 3.91Å; H118-Y151 AromaticContact NE2-CE1 3.22Å; H118-Y151 WeakPolarHBondContact NE2-CE1 2.87Å; H118-Y151 AromaticContact NE2-CZ 3.63Å; H118-L154 PolarHBondContact ND1-O 3.33Å; H118-A156 HydrophobicContact CB-CB 3.92Å
119P81Confident72.4Confident59 Ų5977.1 Ų77.138%0.38340%0.397SS..PPolyproline II helixtrans-63.2146.6173.224.3-32.9000111.6L154 W155 A156P119-L154 WeakPolarHBondContact CD-O 3.31Å; P119-W155 CarbonylContact O-C 3.59Å; P119-W155 WeakPolarHBondContact O-CA 3.33Å; P119-W155 WeakPolarHBondContact O-CB 3.47Å; P119-A156 PolarHBondContact O-N 2.78Å
120P79.8Confident73.9Confident42 Ų4274.6 Ų74.627%0.27337%0.368SS..BIsolated β-bridgetrans-68.2148.4-18032.4-38.9000111.2W113 P122 F125W113-P120 HydrophobicContact CE3-CB 4.08Å; W113-P120 HydrophobicContact CE3-CG 4.04Å; W113-P120 HydrophobicContact CH2-CB 4.39Å; W113-P120 HydrophobicContact CH2-CG 3.84Å; W113-P120 HydrophobicContact CZ3-CB 3.62Å; W113-P120 HydrophobicContact CZ3-CG 3.51Å; P120-P122 WeakPolarHBondContact O-CD 3.35Å; P120-F125 HydrophobicContact CB-CE2 3.91Å; P120-F125 HydrophobicContact CB-CZ 4.32Å; P120-F125 HydrophobicContact CG-CE2 3.94Å; P120-F125 HydrophobicContact CG-CZ 4.38Å
121S83.2Confident75.6Confident4 Ų466.6 Ų66.63%0.02834%0.338CS..PPolyproline II helixtrans-60.6125.6179.2-175.60000112E123 N124S121-E123 PolarHBondContact O-N 2.91Å; S121-E123 WeakPolarHBondContact OG-CB 3.42Å; S121-E123 PolarHBondContact OG-N 3.34Å; S121-N124 PolarHBondContact O-N 3.19Å; S121-N124 VanDerWaalsContact O-N 3.09Å
122P84.8Confident77.3Confident42 Ų4261 Ų6127%0.27332%0.315SS..Hα-helixtrans-60-16.6173.3-23.933.9000113.2P120 N124 F125 S126 W136 W155P120-P122 WeakPolarHBondContact O-CD 3.35Å; P122-N124 PolarHBondContact O-N 2.99Å; P122-F125 PolarHBondContact O-N 3.34Å; P122-S126 VanDerWaalsContact O-CB 3.26Å; P122-S126 WeakPolarHBondContact O-CB 3.47Å; P122-S126 PolarHBondContact O-N 3.42Å; P122-S126 PolarHBondContact O-OG 3.09Å; P122-W136 HydrophobicContact CB-CB 4.41Å; P122-W136 HydrophobicContact CB-CE3 4.27Å; P122-W155 VanDerWaalsContact CD-CD2 3.46Å; P122-W155 HydrophobicContact CG-CD2 4.3Å; P122-W155 HydrophobicContact CG-CH2 4.31Å; P122-W155 HydrophobicContact CG-CZ2 3.56Å
123E84.4Confident79.1Confident13 Ų1356.9 Ų56.96%0.06129%0.288CS..Hα-helixtrans-54.5-42.1172.6-167.8-171.5-163.800110.4S121 F125 S126 K131 W136 R158 K296 Y1114S121-E123 PolarHBondContact O-N 2.91Å; S121-E123 WeakPolarHBondContact OG-CB 3.42Å; S121-E123 PolarHBondContact OG-N 3.34Å; E123-F125 VanDerWaalsContact C-N 3.29Å; E123-F125 PolarHBondContact O-N 2.91Å; E123-S126 WeakPolarHBondContact CA-OG 3.35Å; E123-S126 PolarHBondContact O-N 3.32Å; E123-S126 PolarHBondContact O-OG 3.25Å; E123-K131 WeakPolarHBondContact O-CE 3.49Å; E123-K131 PolarHBondContact O-NZ 2.89Å; E123-W136 HydrophobicContact CB-CD2 4.15Å; E123-W136 HydrophobicContact CB-CE3 4.28Å; E123-W136 HydrophobicContact CB-CH2 3.95Å; E123-W136 HydrophobicContact CB-CZ2 3.83Å; E123-W136 HydrophobicContact CB-CZ3 4.17Å; E123-W136 HydrophobicContact CG-CH2 4.48Å; E123-W136 HydrophobicContact CG-CZ2 3.91Å; E123-R158 IonicContact OE1-NH1 3.27Å; E123-R158 WeakPolarHBondContact OE2-CD 3.47Å; E123-R158 IonicContact OE2-CZ 2.85Å; E123-R158 IonicContact OE2-NH1 3.97Å; E123-R158 PolarHBondContact OE2-NH1 2.79Å; E123-K296 IonicContact OE1-NZ 2.65Å; E123-K296 PolarHBondContact OE1-NZ 3.1Å; E123-K296 IonicContact OE2-NZ 3.97Å; E123-Y1114 PolarHBondContact OE1-OH 2.95Å; E123-Y1114 PolarHBondContact OE2-OH 3.03Å
124N77.4Confident80.8Confident55 Ų5550.9 Ų50.929%0.29427%0.265SS..Hα-helixtrans-60.6-40-177.9-73-23.8000112.5S121 P122 K131 R158S121-N124 PolarHBondContact O-N 3.19Å; S121-N124 VanDerWaalsContact O-N 3.09Å; P122-N124 PolarHBondContact O-N 2.99Å; N124-K131 PolarHBondContact O-NZ 3.15Å; N124-R158 WeakPolarHBondContact OD1-CD 3.31Å; N124-R158 PolarHBondContact OD1-NE 3.29Å; N124-R158 PolarHBondContact OD1-NH2 3.09Å
125F79.8Confident82.6Confident32 Ų3245.3 Ų45.314%0.1424%0.24CC..Hα-helixtrans-98.5-0.2-172.6-44.4-77.8000114I47 A105 Y108 W113 P120 P122 E123I47-F125 HydrophobicContact CD1-CB 4.44Å; I47-F125 HydrophobicContact CD1-CD1 3.37Å; I47-F125 HydrophobicContact CD1-CE1 3.98Å; I47-F125 HydrophobicContact CD1-CG 4.31Å; A105-F125 WeakPolarHBondContact CB-O 3.18Å; Y108-F125 HydrophobicContact CD1-CB 4.11Å; Y108-F125 AromaticContact CD1-CD1 3.48Å; Y108-F125 HydrophobicContact CD1-CD1 3.48Å; Y108-F125 VanDerWaalsContact CD1-CD1 3.48Å; Y108-F125 HydrophobicContact CD1-CE1 4.18Å; Y108-F125 AromaticContact CD1-CG 3.91Å; Y108-F125 HydrophobicContact CD1-CG 3.91Å; Y108-F125 AromaticContact CD2-CD1 3.91Å; Y108-F125 HydrophobicContact CD2-CD1 3.91Å; Y108-F125 AromaticContact CD2-CE1 3.75Å; Y108-F125 HydrophobicContact CD2-CE1 3.75Å; Y108-F125 HydrophobicContact CD2-CZ 4.49Å; Y108-F125 HydrophobicContact CE1-CB 4.17Å; Y108-F125 AromaticContact CE1-CD1 3.83Å; Y108-F125 HydrophobicContact CE1-CD1 3.83Å; Y108-F125 HydrophobicContact CE1-CD2 4.46Å; Y108-F125 HydrophobicContact CE1-CE1 4.43Å; Y108-F125 AromaticContact CE1-CG 3.89Å; Y108-F125 HydrophobicContact CE1-CG 3.89Å; Y108-F125 HydrophobicContact CE2-CD1 4.24Å; Y108-F125 HydrophobicContact CE2-CE1 4.03Å; Y108-F125 HydrophobicContact CE2-CZ 4.37Å; Y108-F125 AromaticContact CG-CD1 3.53Å; Y108-F125 HydrophobicContact CG-CD1 3.53Å; Y108-F125 AromaticContact CG-CE1 3.84Å; Y108-F125 HydrophobicContact CG-CE1 3.84Å; Y108-F125 HydrophobicContact CG-CG 4.39Å; W113-F125 HydrophobicContact CH2-CE1 4.24Å; W113-F125 HydrophobicContact CH2-CE2 4.43Å; W113-F125 AromaticContact CH2-CZ 3.65Å; W113-F125 HydrophobicContact CH2-CZ 3.65Å; W113-F125 AromaticContact CZ3-CZ 3.81Å; W113-F125 HydrophobicContact CZ3-CZ 3.81Å; P120-F125 HydrophobicContact CB-CE2 3.91Å; P120-F125 HydrophobicContact CB-CZ 4.32Å; P120-F125 HydrophobicContact CG-CE2 3.94Å; P120-F125 HydrophobicContact CG-CZ 4.38Å; P122-F125 PolarHBondContact O-N 3.34Å; E123-F125 VanDerWaalsContact C-N 3.29Å; E123-F125 PolarHBondContact O-N 2.91Å
126S86Confident84.2Confident11 Ų1143.2 Ų43.28%0.07723%0.228CC..SBendtrans-82.9147.7-178.953.50000111.5T48 P122 E123 K131T48-S126 WeakPolarHBondContact CG2-O 3.32Å; P122-S126 VanDerWaalsContact O-CB 3.26Å; P122-S126 WeakPolarHBondContact O-CB 3.47Å; P122-S126 PolarHBondContact O-N 3.42Å; P122-S126 PolarHBondContact O-OG 3.09Å; E123-S126 WeakPolarHBondContact CA-OG 3.35Å; E123-S126 PolarHBondContact O-N 3.32Å; E123-S126 PolarHBondContact O-OG 3.25Å; S126-K131 WeakPolarHBondContact O-CE 2.84Å; S126-K131 PolarHBondContact O-NZ 3.36Å; S126-K131 WeakPolarHBondContact OG-CG 3.4Å
127S88Confident85.8Confident9 Ų933.9 Ų33.96%0.06319%0.187CC..  trans-62.3158.5176.264.90000111C103 L129 S130 K131C103-S127 WeakPolarHBondContact O-CB 3.43Å; C103-S127 PolarHBondContact O-OG 2.94Å; S127-L129 VanDerWaalsContact C-N 3.27Å; S127-L129 PolarHBondContact O-N 2.95Å; S127-S130 WeakPolarHBondContact O-CB 3.39Å; S127-S130 PolarHBondContact O-N 3.03Å; S127-S130 WeakPolarHBondContact OG-CB 3.34Å; S127-S130 PolarHBondContact OG-N 3.22Å; S127-K131 WeakPolarHBondContact O-CG 3.31Å; S127-K131 PolarHBondContact O-N 2.86Å
128F88.7Confident86.9Confident47 Ų4730.3 Ų30.321%0.20617%0.17CC..Hα-helixtrans-54-44.5179175.3-104.1000112.3T48 G50 F53 L54 S130 K131 V132T48-F128 PolarHBondContact OG1-N 3.45Å; G50-F128 VanDerWaalsContact CA-CE2 3.45Å; G50-F128 VanDerWaalsContact CA-CG 3.47Å; F53-F128 HydrophobicContact CB-CB 4.25Å; F53-F128 HydrophobicContact CB-CD1 3.92Å; F53-F128 HydrophobicContact CB-CG 4.34Å; F53-F128 AromaticContact CD1-CD1 3.37Å; F53-F128 HydrophobicContact CD1-CD1 3.37Å; F53-F128 AromaticContact CD1-CE1 3.78Å; F53-F128 HydrophobicContact CD1-CE1 3.78Å; F53-F128 HydrophobicContact CD1-CG 4.49Å; F53-F128 HydrophobicContact CE1-CD1 4.1Å; F53-F128 HydrophobicContact CE1-CE1 4.41Å; F53-F128 HydrophobicContact CG-CB 4.45Å; F53-F128 AromaticContact CG-CD1 3.76Å; F53-F128 HydrophobicContact CG-CD1 3.76Å; L54-F128 HydrophobicContact CD1-CE1 4.26Å; L54-F128 HydrophobicContact CD1-CZ 4Å; L54-F128 HydrophobicContact CD2-CE1 4.03Å; L54-F128 HydrophobicContact CD2-CZ 4.49Å; L54-F128 HydrophobicContact CG-CE1 3.88Å; L54-F128 HydrophobicContact CG-CZ 4.14Å; F128-S130 PolarHBondContact O-N 3.5Å; F128-K131 WeakPolarHBondContact O-CB 3.44Å; F128-K131 PolarHBondContact O-N 3.22Å; F128-V132 HydrophobicContact CD1-CG2 4.27Å; F128-V132 HydrophobicContact CD2-CG2 4.11Å; F128-V132 HydrophobicContact CE1-CG2 3.87Å; F128-V132 HydrophobicContact CE2-CG2 3.67Å; F128-V132 HydrophobicContact CG-CG2 4.41Å; F128-V132 HydrophobicContact CZ-CG2 3.55Å; F128-V132 WeakPolarHBondContact O-CG2 3.43Å; F128-V132 PolarHBondContact O-N 3.31Å
129L88.7Confident87.4Confident63 Ų6340 Ų4033%0.3321%0.205SC..Hα-helixtrans-62-44.5176.9-174153.8000111.4F53 S127 K131 V132 L133F53-L129 HydrophobicContact CE2-CB 4.46Å; F53-L129 HydrophobicContact CE2-CD1 4.48Å; F53-L129 HydrophobicContact CZ-CB 4.25Å; F53-L129 HydrophobicContact CZ-CD1 3.92Å; S127-L129 VanDerWaalsContact C-N 3.27Å; S127-L129 PolarHBondContact O-N 2.95Å; L129-K131 VanDerWaalsContact C-N 3.3Å; L129-K131 PolarHBondContact O-N 3.5Å; L129-V132 PolarHBondContact O-N 3.41Å; L129-L133 HydrophobicContact CD2-CD1 3.48Å; L129-L133 VanDerWaalsContact CD2-CD1 3.48Å; L129-L133 HydrophobicContact CD2-CG 4.22Å; L129-L133 HydrophobicContact CG-CD1 4.03Å; L129-L133 HydrophobicContact CG-CG 4.49Å; L129-L133 WeakPolarHBondContact O-CB 3.34Å; L129-L133 WeakPolarHBondContact O-CG 3.24Å; L129-L133 PolarHBondContact O-N 2.89Å
130S89.4Confident87.9Confident20 Ų2037.3 Ų37.314%0.1419%0.188CC..Hα-helixtrans-62.7-36.6176.6-174.40000112.2S127 F128 F134 S135 W136S127-S130 WeakPolarHBondContact O-CB 3.39Å; S127-S130 PolarHBondContact O-N 3.03Å; S127-S130 WeakPolarHBondContact OG-CB 3.34Å; S127-S130 PolarHBondContact OG-N 3.22Å; F128-S130 PolarHBondContact O-N 3.5Å; S130-F134 CarbonylContact O-C 3.59Å; S130-F134 VanDerWaalsContact O-CA 3.32Å; S130-F134 WeakPolarHBondContact O-CA 3.41Å; S130-F134 PolarHBondContact O-N 3.15Å; S130-S135 PolarHBondContact O-N 3.37Å; S130-W136 VanDerWaalsContact O-CD1 3.29Å; S130-W136 PolarHBondContact OG-N 3.06Å
131K90Very high88.3Confident59 Ų5935.4 Ų35.426%0.25718%0.175SC..Hα-helixtrans-64.1-49.1173.5-72.6172170160.20112.2T48 E123 N124 S126 S127 F128 L129 F134T48-K131 HydrophobicContact CG2-CD 4.08Å; E123-K131 WeakPolarHBondContact O-CE 3.49Å; E123-K131 PolarHBondContact O-NZ 2.89Å; N124-K131 PolarHBondContact O-NZ 3.15Å; S126-K131 WeakPolarHBondContact O-CE 2.84Å; S126-K131 PolarHBondContact O-NZ 3.36Å; S126-K131 WeakPolarHBondContact OG-CG 3.4Å; S127-K131 WeakPolarHBondContact O-CG 3.31Å; S127-K131 PolarHBondContact O-N 2.86Å; F128-K131 WeakPolarHBondContact O-CB 3.44Å; F128-K131 PolarHBondContact O-N 3.22Å; L129-K131 VanDerWaalsContact C-N 3.3Å; L129-K131 PolarHBondContact O-N 3.5Å; K131-F134 PolarHBondContact O-N 3.45Å
132V90.1Very high88.7Confident17 Ų1738.4 Ų38.410%0.10319%0.19CC..Hα-helixtrans-66.7-41-177.3170.80000111.6F128 L129 F134 I285 L289F128-V132 HydrophobicContact CD1-CG2 4.27Å; F128-V132 HydrophobicContact CD2-CG2 4.11Å; F128-V132 HydrophobicContact CE1-CG2 3.87Å; F128-V132 HydrophobicContact CE2-CG2 3.67Å; F128-V132 HydrophobicContact CG-CG2 4.41Å; F128-V132 HydrophobicContact CZ-CG2 3.55Å; F128-V132 WeakPolarHBondContact O-CG2 3.43Å; F128-V132 PolarHBondContact O-N 3.31Å; L129-V132 PolarHBondContact O-N 3.41Å; V132-F134 VanDerWaalsContact C-N 3.3Å; V132-F134 WeakPolarHBondContact O-CD2 3.44Å; V132-F134 WeakPolarHBondContact O-CE2 3.49Å; V132-I285 HydrophobicContact CG1-CB 4.34Å; V132-I285 HydrophobicContact CG1-CD1 4.28Å; V132-I285 HydrophobicContact CG1-CG1 4.18Å; V132-I285 HydrophobicContact CG1-CG2 3.3Å; V132-L289 HydrophobicContact CG1-CD1 4.22Å; V132-L289 HydrophobicContact CG2-CD1 4.42Å; V132-L289 HydrophobicContact CG2-CD2 4.48Å
133L91.5Very high88.9Confident47 Ų4739.1 Ų39.125%0.24619%0.191CC..THydrogen-bonded Turntrans-86.83.6176.9-60.9-176.2000113.1L129 S135 I285 V1125 R1126L129-L133 HydrophobicContact CD2-CD1 3.48Å; L129-L133 VanDerWaalsContact CD2-CD1 3.48Å; L129-L133 HydrophobicContact CD2-CG 4.22Å; L129-L133 HydrophobicContact CG-CD1 4.03Å; L129-L133 HydrophobicContact CG-CG 4.49Å; L129-L133 WeakPolarHBondContact O-CB 3.34Å; L129-L133 WeakPolarHBondContact O-CG 3.24Å; L129-L133 PolarHBondContact O-N 2.89Å; L133-S135 PolarHBondContact O-N 2.84Å; L133-I285 HydrophobicContact CD2-CD1 4.05Å; L133-I285 HydrophobicContact CD2-CG1 4.1Å; L133-V1125 HydrophobicContact CD2-CG1 4.13Å; L133-R1126 PolarHBondContact O-NH1 3.43Å; L133-R1126 PolarHBondContact O-NH2 2.67Å
134F93.9Very high88.9Confident1 Ų138.5 Ų38.50%0.00419%0.189CC..THydrogen-bonded Turntrans55.417.6-175.6-58.7-93.9000114.7S130 K131 V132 W136 F137 N288 N292 I1118 R1121 W1122 V1125S130-F134 CarbonylContact O-C 3.59Å; S130-F134 VanDerWaalsContact O-CA 3.32Å; S130-F134 WeakPolarHBondContact O-CA 3.41Å; S130-F134 PolarHBondContact O-N 3.15Å; K131-F134 PolarHBondContact O-N 3.45Å; V132-F134 VanDerWaalsContact C-N 3.3Å; V132-F134 WeakPolarHBondContact O-CD2 3.44Å; V132-F134 WeakPolarHBondContact O-CE2 3.49Å; F134-W136 PolarHBondContact O-N 3.01Å; F134-F137 WeakPolarHBondContact O-CB 3.42Å; F134-F137 PolarHBondContact O-N 3.36Å; F134-F137 VanDerWaalsContact O-N 3.1Å; F134-N288 HydrophobicContact CE2-CB 4Å; F134-N292 HydrophobicContact CE1-CB 4.02Å; F134-N292 WeakPolarHBondContact CE1-ND2 3.43Å; F134-N292 HydrophobicContact CZ-CB 3.78Å; F134-I1118 HydrophobicContact CD1-CD1 4.14Å; F134-I1118 HydrophobicContact CD1-CG2 4.26Å; F134-I1118 HydrophobicContact CE1-CD1 3.94Å; F134-R1121 HydrophobicContact CD1-CB 3.74Å; F134-R1121 HydrophobicContact CD2-CB 4.07Å; F134-R1121 HydrophobicContact CE1-CB 3.58Å; F134-R1121 HydrophobicContact CE1-CG 3.93Å; F134-R1121 HydrophobicContact CE2-CB 3.96Å; F134-R1121 HydrophobicContact CG-CB 3.98Å; F134-R1121 HydrophobicContact CZ-CB 3.71Å; F134-R1121 HydrophobicContact CZ-CG 3.95Å; F134-W1122 HydrophobicContact CB-CB 4.35Å; F134-V1125 HydrophobicContact CD2-CG2 3.91Å; F134-V1125 HydrophobicContact CE2-CG2 4.25Å
135S91.6Very high89.2Confident40 Ų4042.6 Ų42.628%0.2820%0.2SC..G310 helixtrans-65.6-22.7-172.7-60.90000114.8S130 L133 F137 T138 R1126S130-S135 PolarHBondContact O-N 3.37Å; L133-S135 PolarHBondContact O-N 2.84Å; S135-F137 PolarHBondContact O-N 3.18Å; S135-T138 VanDerWaalsContact O-CB 3.26Å; S135-T138 WeakPolarHBondContact O-CB 3.49Å; S135-T138 PolarHBondContact O-N 3.19Å; S135-T138 VanDerWaalsContact O-N 3.08Å; S135-T138 PolarHBondContact O-OG1 3.48Å; S135-R1126 PolarHBondContact OG-NH2 3.49Å
136W92Very high89.6Confident17 Ų1750.3 Ų50.36%0.06423%0.229CC..G310 helixtrans-58.7-25.1172.661.5-94.4000113.2P122 E123 S130 F134 T138 W155 Y1114 I1118P122-W136 HydrophobicContact CB-CB 4.41Å; P122-W136 HydrophobicContact CB-CE3 4.27Å; E123-W136 HydrophobicContact CB-CD2 4.15Å; E123-W136 HydrophobicContact CB-CE3 4.28Å; E123-W136 HydrophobicContact CB-CH2 3.95Å; E123-W136 HydrophobicContact CB-CZ2 3.83Å; E123-W136 HydrophobicContact CB-CZ3 4.17Å; E123-W136 HydrophobicContact CG-CH2 4.48Å; E123-W136 HydrophobicContact CG-CZ2 3.91Å; S130-W136 VanDerWaalsContact O-CD1 3.29Å; S130-W136 PolarHBondContact OG-N 3.06Å; F134-W136 PolarHBondContact O-N 3.01Å; W136-T138 VanDerWaalsContact C-N 3.32Å; W136-T138 PolarHBondContact O-N 2.86Å; W136-W155 HydrophobicContact CE3-CH2 4.16Å; W136-W155 HydrophobicContact CE3-CZ3 4.15Å; W136-W155 HydrophobicContact CH2-CZ3 4.45Å; W136-W155 HydrophobicContact CZ3-CE3 4.04Å; W136-W155 AromaticContact CZ3-CH2 3.96Å; W136-W155 HydrophobicContact CZ3-CH2 3.96Å; W136-W155 AromaticContact CZ3-CZ3 3.48Å; W136-W155 HydrophobicContact CZ3-CZ3 3.48Å; W136-W155 VanDerWaalsContact CZ3-CZ3 3.48Å; W136-Y1114 HydrophobicContact CH2-CE1 4.47Å; W136-I1118 HydrophobicContact CH2-CB 4.32Å; W136-I1118 HydrophobicContact CH2-CG1 4.04Å; W136-I1118 HydrophobicContact CH2-CG2 3.63Å; W136-I1118 HydrophobicContact CZ2-CB 4.45Å; W136-I1118 HydrophobicContact CZ2-CD1 4.13Å; W136-I1118 HydrophobicContact CZ2-CG1 4.1Å; W136-I1118 HydrophobicContact CZ2-CG2 3.56Å; W136-I1118 HydrophobicContact CZ3-CG2 4.43Å
137F93.6Very high89.7Confident0 Ų056.1 Ų56.10%025%0.249CC..G310 helixtrans-77.1-16178.2-165.8-102.9000113.7F134 S135 R139 K140 T141 W155 L1064 E1115 I1118 W1122F134-F137 WeakPolarHBondContact O-CB 3.42Å; F134-F137 PolarHBondContact O-N 3.36Å; F134-F137 VanDerWaalsContact O-N 3.1Å; S135-F137 PolarHBondContact O-N 3.18Å; F137-R139 PolarHBondContact O-N 2.81Å; F137-R139 VanDerWaalsContact O-N 3.14Å; F137-K140 HydrophobicContact CD2-CB 4.29Å; F137-K140 HydrophobicContact CE2-CB 4.08Å; F137-K140 HydrophobicContact CE2-CG 4.03Å; F137-K140 HydrophobicContact CZ-CB 4.2Å; F137-K140 HydrophobicContact CZ-CG 4.05Å; F137-K140 WeakPolarHBondContact O-CB 3.36Å; F137-K140 PolarHBondContact O-N 2.92Å; F137-T141 HydrophobicContact CD1-CG2 3.54Å; F137-T141 HydrophobicContact CE1-CG2 3.46Å; F137-T141 VanDerWaalsContact CE1-CG2 3.46Å; F137-T141 PolarHBondContact O-N 3.1Å; F137-W155 AromaticContact CD2-CH2 3.8Å; F137-W155 HydrophobicContact CD2-CH2 3.8Å; F137-W155 AromaticContact CD2-CZ3 3.55Å; F137-W155 HydrophobicContact CD2-CZ3 3.55Å; F137-W155 HydrophobicContact CE2-CH2 4.16Å; F137-W155 AromaticContact CE2-CZ3 3.69Å; F137-W155 HydrophobicContact CE2-CZ3 3.69Å; F137-L1064 HydrophobicContact CZ-CD1 3.95Å; F137-E1115 HydrophobicContact CE2-CB 4.26Å; F137-I1118 HydrophobicContact CB-CG2 3.92Å; F137-I1118 HydrophobicContact CD2-CB 4.34Å; F137-I1118 HydrophobicContact CD2-CG2 3.58Å; F137-I1118 HydrophobicContact CE2-CG2 4.24Å; F137-I1118 HydrophobicContact CG-CG2 3.75Å; F137-W1122 HydrophobicContact CB-CB 4.41Å; F137-W1122 HydrophobicContact CB-CG 4.37Å; F137-W1122 HydrophobicContact CD1-CB 3.97Å; F137-W1122 HydrophobicContact CD1-CG 4.02Å
138T92.5Very high89.3Confident44 Ų4460.2 Ų60.227%0.2728%0.275SS..Hα-helixtrans-57.1-34.7-174.9-50.20000113.1S135 W136 K140 T141 I142 W1122S135-T138 VanDerWaalsContact O-CB 3.26Å; S135-T138 WeakPolarHBondContact O-CB 3.49Å; S135-T138 PolarHBondContact O-N 3.19Å; S135-T138 VanDerWaalsContact O-N 3.08Å; S135-T138 PolarHBondContact O-OG1 3.48Å; W136-T138 VanDerWaalsContact C-N 3.32Å; W136-T138 PolarHBondContact O-N 2.86Å; T138-K140 VanDerWaalsContact C-N 3.25Å; T138-K140 PolarHBondContact O-N 2.86Å; T138-T141 PolarHBondContact O-N 3.18Å; T138-T141 PolarHBondContact O-OG1 3.31Å; T138-I142 HydrophobicContact CG2-CD1 3.97Å; T138-I142 WeakPolarHBondContact O-CG1 3.42Å; T138-I142 PolarHBondContact O-N 2.75Å; T138-I142 VanDerWaalsContact O-N 3.11Å; T138-W1122 HydrophobicContact CG2-CZ2 4.26Å; T138-W1122 PolarHBondContact OG1-NE1 3.44Å
139R90.2Very high89.1Confident217 Ų21758.5 Ų58.582%0.81927%0.268SS*.Hα-helixtrans-63.1-34.8177.9-169.1176.1-178.3-176.60.3111.8F137 L143F137-R139 PolarHBondContact O-N 2.81Å; F137-R139 VanDerWaalsContact O-N 3.14Å; R139-L143 WeakPolarHBondContact O-CB 3.15Å; R139-L143 PolarHBondContact O-N 2.86Å
140K90.6Very high88.9Confident4 Ų459.5 Ų59.52%0.01728%0.277CS..Hα-helixtrans-73.2-40.2179.2-167.475.2-180-119.60111.9F137 T138 I142 L143 G144 L149 D153 W155 E1115F137-K140 HydrophobicContact CD2-CB 4.29Å; F137-K140 HydrophobicContact CE2-CB 4.08Å; F137-K140 HydrophobicContact CE2-CG 4.03Å; F137-K140 HydrophobicContact CZ-CB 4.2Å; F137-K140 HydrophobicContact CZ-CG 4.05Å; F137-K140 WeakPolarHBondContact O-CB 3.36Å; F137-K140 PolarHBondContact O-N 2.92Å; T138-K140 VanDerWaalsContact C-N 3.25Å; T138-K140 PolarHBondContact O-N 2.86Å; K140-I142 VanDerWaalsContact C-N 3.34Å; K140-L143 PolarHBondContact O-N 3.13Å; K140-G144 PolarHBondContact O-N 3.26Å; K140-L149 HydrophobicContact CD-CD2 4.18Å; K140-L149 HydrophobicContact CG-CD1 4.4Å; K140-D153 VanDerWaalsContact NZ-C 3.28Å; K140-D153 PolarHBondContact NZ-O 2.97Å; K140-W155 HydrophobicContact CB-CH2 3.56Å; K140-W155 HydrophobicContact CB-CZ2 4.02Å; K140-W155 HydrophobicContact CB-CZ3 4.32Å; K140-W155 HydrophobicContact CD-CH2 4.18Å; K140-W155 HydrophobicContact CD-CZ2 4.15Å; K140-W155 HydrophobicContact CG-CH2 4.04Å; K140-W155 HydrophobicContact CG-CZ2 4.47Å; K140-W155 HydrophobicContact CG-CZ3 4.4Å; K140-E1115 VanDerWaalsContact CE-OE2 3.25Å; K140-E1115 WeakPolarHBondContact CE-OE2 3.41Å; K140-E1115 IonicContact NZ-OE1 3.88Å; K140-E1115 PolarHBondContact NZ-OE1 3.24Å; K140-E1115 IonicContact NZ-OE2 2.77Å; K140-E1115 PolarHBondContact NZ-OE2 2.85Å
141T88.5Confident88.7Confident1 Ų161.7 Ų61.71%0.00628%0.282CS..Hα-helixtrans-65-39.9176.2570000111.6F137 T138 W145 W1122F137-T141 HydrophobicContact CD1-CG2 3.54Å; F137-T141 HydrophobicContact CE1-CG2 3.46Å; F137-T141 VanDerWaalsContact CE1-CG2 3.46Å; F137-T141 PolarHBondContact O-N 3.1Å; T138-T141 PolarHBondContact O-N 3.18Å; T138-T141 PolarHBondContact O-OG1 3.31Å; T141-W145 WeakPolarHBondContact O-CB 3.39Å; T141-W145 PolarHBondContact O-N 3.06Å; T141-W1122 HydrophobicContact CG2-CD2 4.04Å; T141-W1122 HydrophobicContact CG2-CE3 4Å; T141-W1122 HydrophobicContact CG2-CH2 4.32Å; T141-W1122 HydrophobicContact CG2-CZ2 4.34Å; T141-W1122 HydrophobicContact CG2-CZ3 4.16Å
142I90.3Very high88.5Confident68 Ų6864.4 Ų64.435%0.34930%0.3SS..Hα-helixtrans-65.2-41.3173.5-64.6168.3000111.1T138 K140 W145 R146T138-I142 HydrophobicContact CG2-CD1 3.97Å; T138-I142 WeakPolarHBondContact O-CG1 3.42Å; T138-I142 PolarHBondContact O-N 2.75Å; T138-I142 VanDerWaalsContact O-N 3.11Å; K140-I142 VanDerWaalsContact C-N 3.34Å; I142-W145 PolarHBondContact O-N 2.93Å; I142-R146 HydrophobicContact CG2-CG 4.49Å; I142-R146 WeakPolarHBondContact O-CG 3.18Å; I142-R146 PolarHBondContact O-N 2.79Å
143L89.7Confident88.3Confident56 Ų5664.7 Ų64.729%0.29330%0.3SS..Hα-helixtrans-60.6-49.8176.5-176.565.3000111.4R139 K140 W145 R146 R147 L149 D153R139-L143 WeakPolarHBondContact O-CB 3.15Å; R139-L143 PolarHBondContact O-N 2.86Å; K140-L143 PolarHBondContact O-N 3.13Å; L143-W145 PolarHBondContact O-N 3.41Å; L143-R146 PolarHBondContact O-N 2.9Å; L143-R146 VanDerWaalsContact O-N 3.1Å; L143-R147 HydrophobicContact CD1-CG 4.19Å; L143-R147 PolarHBondContact O-N 3Å; L143-L149 HydrophobicContact CB-CD2 4.35Å; L143-L149 HydrophobicContact CD2-CD2 3.88Å; L143-L149 HydrophobicContact CG-CD2 3.96Å; L143-D153 HydrophobicContact CD2-CB 4.42Å
144G83.7Confident88.2Confident1 Ų162.4 Ų62.41%0.0129%0.289CS..Hα-helixtrans-67.1-20.6178.600000114.5K140 R147 Q1063K140-G144 PolarHBondContact O-N 3.26Å; G144-R147 CarbonylContact C-O 3.56Å; G144-R147 VanDerWaalsContact CA-O 3.28Å; G144-R147 WeakPolarHBondContact CA-O 3.4Å; G144-Q1063 PolarHBondContact O-NE2 2.93Å; G144-Q1063 PolarHBondContact O-OE1 3.38Å
145W84Confident88.1Confident141 Ų14163.8 Ų63.853%0.53429%0.294SS..Hα-helixtrans-77.3-39.8169.8179.868000112.2T141 I142 L143 T1056T141-W145 WeakPolarHBondContact O-CB 3.39Å; T141-W145 PolarHBondContact O-N 3.06Å; I142-W145 PolarHBondContact O-N 2.93Å; L143-W145 PolarHBondContact O-N 3.41Å; W145-T1056 HydrophobicContact CB-CG2 4.25Å; W145-T1056 HydrophobicContact CD2-CG2 4.22Å; W145-T1056 HydrophobicContact CG-CG2 3.94Å
146R88.6Confident87.8Confident194 Ų19462.6 Ų62.673%0.73229%0.286SS*.Hα-helixtrans-75.3-39.1179.9-73-179179.8-170.7-0.8113.3I142 L143I142-R146 HydrophobicContact CG2-CG 4.49Å; I142-R146 WeakPolarHBondContact O-CG 3.18Å; I142-R146 PolarHBondContact O-N 2.79Å; L143-R146 PolarHBondContact O-N 2.9Å; L143-R146 VanDerWaalsContact O-N 3.1Å
147R87.2Confident87.6Confident132 Ų13262.3 Ų62.350%0.49829%0.286SS..SBendtrans-147157.3178.471.6174.2-167.9166.61111.3L143 G144 L149 D153L143-R147 HydrophobicContact CD1-CG 4.19Å; L143-R147 PolarHBondContact O-N 3Å; G144-R147 CarbonylContact C-O 3.56Å; G144-R147 VanDerWaalsContact CA-O 3.28Å; G144-R147 WeakPolarHBondContact CA-O 3.4Å; R147-L149 PolarHBondContact O-N 3.48Å; R147-D153 IonicContact CZ-OD1 3.5Å; R147-D153 IonicContact NH2-OD1 3.63Å; R147-D153 PolarHBondContact NH2-OD1 2.63Å; R147-D153 IonicContact NH2-OD2 3.96Å
148P79.9Confident87.1Confident96 Ų9665.1 Ų65.162%0.62330%0.297SS*.  trans-57.8129.2172.4-22.533.7000112
149L84.6Confident86.5Confident11 Ų1167.5 Ų67.56%0.05831%0.308CS..  trans-67.1131.3170.7-65.6176.3000110.3K140 L143 R147 D153 Q1063 L1064 I1067K140-L149 HydrophobicContact CD-CD2 4.18Å; K140-L149 HydrophobicContact CG-CD1 4.4Å; L143-L149 HydrophobicContact CB-CD2 4.35Å; L143-L149 HydrophobicContact CD2-CD2 3.88Å; L143-L149 HydrophobicContact CG-CD2 3.96Å; R147-L149 PolarHBondContact O-N 3.48Å; L149-D153 WeakPolarHBondContact CA-OD2 3.29Å; L149-D153 HydrophobicContact CD2-CB 4.12Å; L149-Q1063 HydrophobicContact CB-CB 4.2Å; L149-L1064 HydrophobicContact CD1-CD2 4.13Å; L149-L1064 HydrophobicContact CD1-CG 3.99Å; L149-I1067 HydrophobicContact CB-CD1 4.4Å
150V85.2Confident86.2Confident84 Ų8463.1 Ų63.151%0.50930%0.296SS..  trans-106.5165.2170.6-87.10000111N152 D153V150-N152 PolarHBondContact O-N 3.36Å; V150-D153 WeakPolarHBondContact CG2-OD2 3.36Å; V150-D153 PolarHBondContact N-OD2 2.86Å; V150-D153 WeakPolarHBondContact O-CB 3.42Å; V150-D153 PolarHBondContact O-N 3.17Å
151Y84.5Confident86.1Confident66 Ų6663.9 Ų63.926%0.25930%0.299SS..G310 helixtrans-52.6-42.8-179.6-177.6-102.7000112.2H118 D153 L154 I1067 T1071 E1108H118-Y151 AromaticContact CE1-CD1 3.73Å; H118-Y151 AromaticContact CE1-CE1 3.49Å; H118-Y151 VanDerWaalsContact CE1-CE1 3.49Å; H118-Y151 WeakPolarHBondContact CE1-CE1 3.45Å; H118-Y151 AromaticContact CE1-CZ 3.95Å; H118-Y151 PolarHBondContact CE1-O 3.35Å; H118-Y151 AromaticContact NE2-CD1 3.91Å; H118-Y151 AromaticContact NE2-CE1 3.22Å; H118-Y151 WeakPolarHBondContact NE2-CE1 2.87Å; H118-Y151 AromaticContact NE2-CZ 3.63Å; Y151-D153 PolarHBondContact O-N 2.87Å; Y151-D153 VanDerWaalsContact O-N 3.17Å; Y151-L154 HydrophobicContact CD2-CD1 3.79Å; Y151-L154 HydrophobicContact CE2-CD1 4.03Å; Y151-L154 WeakPolarHBondContact O-CB 3.39Å; Y151-L154 WeakPolarHBondContact O-CG 3.34Å; Y151-L154 PolarHBondContact O-N 2.78Å; Y151-I1067 HydrophobicContact CD2-CG2 3.87Å; Y151-T1071 HydrophobicContact CD2-CG2 3.97Å; Y151-T1071 HydrophobicContact CE2-CG2 3.72Å; Y151-E1108 WeakPolarHBondContact OH-CB 3.4Å; Y151-E1108 VanDerWaalsContact OH-CG 3.23Å; Y151-E1108 WeakPolarHBondContact OH-CG 3.36Å
152N85.3Confident86.2Confident115 Ų11566 Ų6662%0.61531%0.31SS*.G310 helixtrans-68.1-14.5179.3-60.6-0.4000114V150 L154V150-N152 PolarHBondContact O-N 3.36Å; N152-L154 VanDerWaalsContact C-N 3.25Å
153D87.4Confident86.2Confident23 Ų2362.8 Ų62.812%0.12329%0.294CS..G310 helixtrans-76.1-15.9172.7-68-45.9000112K140 L143 R147 L149 V150 Y151K140-D153 VanDerWaalsContact NZ-C 3.28Å; K140-D153 PolarHBondContact NZ-O 2.97Å; L143-D153 HydrophobicContact CD2-CB 4.42Å; R147-D153 IonicContact CZ-OD1 3.5Å; R147-D153 IonicContact NH2-OD1 3.63Å; R147-D153 PolarHBondContact NH2-OD1 2.63Å; R147-D153 IonicContact NH2-OD2 3.96Å; L149-D153 WeakPolarHBondContact CA-OD2 3.29Å; L149-D153 HydrophobicContact CD2-CB 4.12Å; V150-D153 WeakPolarHBondContact CG2-OD2 3.36Å; V150-D153 PolarHBondContact N-OD2 2.86Å; V150-D153 WeakPolarHBondContact O-CB 3.42Å; V150-D153 PolarHBondContact O-N 3.17Å; Y151-D153 PolarHBondContact O-N 2.87Å; Y151-D153 VanDerWaalsContact O-N 3.17Å
154L89.7Confident86.2Confident0 Ų064.7 Ų64.70%031%0.308CS..SBendtrans-65.2147.6179.1-62.1-178.9000111.9H118 P119 Y151 N152 L1064 I1067 M1111 P1112 E1115H118-L154 PolarHBondContact ND1-O 3.33Å; P119-L154 WeakPolarHBondContact CD-O 3.31Å; Y151-L154 HydrophobicContact CD2-CD1 3.79Å; Y151-L154 HydrophobicContact CE2-CD1 4.03Å; Y151-L154 WeakPolarHBondContact O-CB 3.39Å; Y151-L154 WeakPolarHBondContact O-CG 3.34Å; Y151-L154 PolarHBondContact O-N 2.78Å; N152-L154 VanDerWaalsContact C-N 3.25Å; L154-L1064 HydrophobicContact CD2-CD2 3.69Å; L154-I1067 HydrophobicContact CD1-CG2 3.9Å; L154-M1111 HydrophobicContact CD1-CB 4.33Å; L154-P1112 HydrophobicContact CD1-CB 3.98Å; L154-P1112 HydrophobicContact CD1-CG 4.28Å; L154-P1112 HydrophobicContact CD2-CB 4.48Å; L154-E1115 WeakPolarHBondContact CA-OE1 3.33Å
155W89.8Confident86.5Confident29 Ų2968.8 Ų68.811%0.1133%0.33CS..PPolyproline II helixtrans-84.2145.6172.4-60.4-58000111.6P119 P122 W136 F137 K140 L157 E1115P119-W155 CarbonylContact O-C 3.59Å; P119-W155 WeakPolarHBondContact O-CA 3.33Å; P119-W155 WeakPolarHBondContact O-CB 3.47Å; P122-W155 VanDerWaalsContact CD-CD2 3.46Å; P122-W155 HydrophobicContact CG-CD2 4.3Å; P122-W155 HydrophobicContact CG-CH2 4.31Å; P122-W155 HydrophobicContact CG-CZ2 3.56Å; W136-W155 HydrophobicContact CE3-CH2 4.16Å; W136-W155 HydrophobicContact CE3-CZ3 4.15Å; W136-W155 HydrophobicContact CH2-CZ3 4.45Å; W136-W155 HydrophobicContact CZ3-CE3 4.04Å; W136-W155 AromaticContact CZ3-CH2 3.96Å; W136-W155 HydrophobicContact CZ3-CH2 3.96Å; W136-W155 AromaticContact CZ3-CZ3 3.48Å; W136-W155 HydrophobicContact CZ3-CZ3 3.48Å; W136-W155 VanDerWaalsContact CZ3-CZ3 3.48Å; F137-W155 AromaticContact CD2-CH2 3.8Å; F137-W155 HydrophobicContact CD2-CH2 3.8Å; F137-W155 AromaticContact CD2-CZ3 3.55Å; F137-W155 HydrophobicContact CD2-CZ3 3.55Å; F137-W155 HydrophobicContact CE2-CH2 4.16Å; F137-W155 AromaticContact CE2-CZ3 3.69Å; F137-W155 HydrophobicContact CE2-CZ3 3.69Å; K140-W155 HydrophobicContact CB-CH2 3.56Å; K140-W155 HydrophobicContact CB-CZ2 4.02Å; K140-W155 HydrophobicContact CB-CZ3 4.32Å; K140-W155 HydrophobicContact CD-CH2 4.18Å; K140-W155 HydrophobicContact CD-CZ2 4.15Å; K140-W155 HydrophobicContact CG-CH2 4.04Å; K140-W155 HydrophobicContact CG-CZ2 4.47Å; K140-W155 HydrophobicContact CG-CZ3 4.4Å; W155-L157 PolarHBondContact O-N 2.83Å; W155-E1115 HydrophobicContact CE3-CG 3.97Å; W155-E1115 HydrophobicContact CZ3-CG 4.33Å; W155-E1115 PolarHBondContact N-OE1 3.29Å
156A86.9Confident86.9Confident15 Ų1562.5 Ų62.512%0.12431%0.306CS..BIsolated β-bridgetrans-56.4138.2173.100000110.4D115 H118 P119D115-A156 HydrophobicContact CB-CB 4.31Å; H118-A156 HydrophobicContact CB-CB 3.92Å; P119-A156 PolarHBondContact O-N 2.78Å
157L86.6Confident87.1Confident11 Ų1153.3 Ų53.36%0.05827%0.272CS..PPolyproline II helixtrans-64.7136.5174-165.670000109W155 Y161 L162 M299 Q1110 M1111W155-L157 PolarHBondContact O-N 2.83Å; L157-Y161 HydrophobicContact CD1-CD2 4.37Å; L157-L162 HydrophobicContact CB-CD2 4.16Å; L157-L162 HydrophobicContact CD2-CD2 4.24Å; L157-M299 HydrophobicContact CD1-CE 4.26Å; L157-Q1110 HydrophobicContact CD1-CB 4.35Å; L157-Q1110 HydrophobicContact CD2-CB 3.97Å; L157-M1111 HydrophobicContact CB-CE 4.3Å; L157-M1111 HydrophobicContact CB-CG 3.89Å
158R83Confident87.4Confident59 Ų5950.4 Ų50.422%0.22327%0.27CS..PPolyproline II helixtrans-65.6145.2179.2-62.6172.957.9-1773110.5E123 N124 H160 Y161 L162E123-R158 IonicContact OE1-NH1 3.27Å; E123-R158 WeakPolarHBondContact OE2-CD 3.47Å; E123-R158 IonicContact OE2-CZ 2.85Å; E123-R158 IonicContact OE2-NH1 3.97Å; E123-R158 PolarHBondContact OE2-NH1 2.79Å; N124-R158 WeakPolarHBondContact OD1-CD 3.31Å; N124-R158 PolarHBondContact OD1-NE 3.29Å; N124-R158 PolarHBondContact OD1-NH2 3.09Å; R158-H160 PolarHBondContact O-N 2.83Å; R158-Y161 HydrophobicContact CB-CD2 3.86Å; R158-Y161 HydrophobicContact CB-CE2 4.14Å; R158-Y161 PolarHBondContact O-N 2.7Å; R158-L162 PolarHBondContact O-N 2.87Å
159D80.5Confident88Confident95 Ų9548.4 Ų48.451%0.50826%0.258SS..G310 helixtrans-48-39.1-179-57.7-12000113.7Y161 L162 N165D159-Y161 PolarHBondContact O-N 3.12Å; D159-Y161 VanDerWaalsContact O-N 3.1Å; D159-L162 PolarHBondContact O-N 2.78Å; D159-N165 WeakPolarHBondContact O-CB 3.16Å; D159-N165 PolarHBondContact O-ND2 2.82Å
160H83.5Confident88.4Confident124 Ų12447.9 Ų47.957%0.57426%0.256SS*.G310 helixtrans-67.5-7.4179.3-61.9-54.9000115.6R158 V166 K300R158-H160 PolarHBondContact O-N 2.83Å; H160-V166 VanDerWaalsContact O-CG2 3.27Å; H160-V166 WeakPolarHBondContact O-CG2 3.02Å; H160-K300 VanDerWaalsContact O-CE 3.27Å; H160-K300 WeakPolarHBondContact O-CE 3.49Å
161Y89Confident88.7Confident21 Ų2146.1 Ų46.18%0.08224%0.242CC..G310 helixtrans-115.9-12.4177.3-54.1-58.3000113L157 R158 D159 K296 K300L157-Y161 HydrophobicContact CD1-CD2 4.37Å; R158-Y161 HydrophobicContact CB-CD2 3.86Å; R158-Y161 HydrophobicContact CB-CE2 4.14Å; R158-Y161 PolarHBondContact O-N 2.7Å; D159-Y161 PolarHBondContact O-N 3.12Å; D159-Y161 VanDerWaalsContact O-N 3.1Å; Y161-K296 HydrophobicContact CE1-CB 4.05Å; Y161-K296 HydrophobicContact CE1-CG 4.33Å; Y161-K296 VanDerWaalsContact OH-CD 3.26Å; Y161-K296 WeakPolarHBondContact OH-CD 3.42Å; Y161-K300 HydrophobicContact CD1-CD 4.47Å; Y161-K300 HydrophobicContact CD1-CG 4.06Å
162L90.2Very high89.1Confident44 Ų4446 Ų4623%0.2325%0.254CS..SBendtrans-60.6136.1174.9-70.8174000110.5L157 R158 D159 V164 N165 V166 D1107L157-L162 HydrophobicContact CB-CD2 4.16Å; L157-L162 HydrophobicContact CD2-CD2 4.24Å; R158-L162 PolarHBondContact O-N 2.87Å; D159-L162 PolarHBondContact O-N 2.78Å; L162-V164 PolarHBondContact O-N 2.83Å; L162-N165 PolarHBondContact O-N 2.82Å; L162-V166 WeakPolarHBondContact O-CG2 3.27Å; L162-V166 PolarHBondContact O-N 3.07Å; L162-V166 VanDerWaalsContact O-N 3.1Å; L162-D1107 HydrophobicContact CD2-CB 4.28Å
163S91.1Very high89.4Confident1 Ų143.5 Ų43.51%0.00724%0.24CC..Hα-helixtrans-46-47.2174.658.60000112.4N165 V166 V167 D1107S163-N165 PolarHBondContact O-N 2.97Å; S163-V166 PolarHBondContact O-N 3.29Å; S163-V166 VanDerWaalsContact O-N 3.16Å; S163-V167 VanDerWaalsContact O-CB 3.25Å; S163-V167 WeakPolarHBondContact O-CB 3.41Å; S163-V167 VanDerWaalsContact O-CG2 3.28Å; S163-V167 WeakPolarHBondContact O-CG2 3.49Å; S163-V167 PolarHBondContact O-N 2.87Å; S163-D1107 WeakPolarHBondContact CB-OD1 3.09Å; S163-D1107 WeakPolarHBondContact CB-OD2 3.49Å; S163-D1107 PolarHBondContact N-OD1 3.03Å; S163-D1107 PolarHBondContact N-OD2 3.35Å; S163-D1107 VanDerWaalsContact N-OD2 3.16Å; S163-D1107 PolarHBondContact OG-OD2 3.32Å
164V88.9Confident89.7Confident97 Ų9742.9 Ų42.959%0.58824%0.236SC*.Hα-helixtrans-53.1-32.2179.8-179.70000113.4L162 P168L162-V164 PolarHBondContact O-N 2.83Å; V164-P168 WeakPolarHBondContact O-CD 3.41Å; V164-P168 VanDerWaalsContact O-CG 3.24Å; V164-P168 WeakPolarHBondContact O-CG 3.41Å
165N90.1Very high89.8Confident87 Ų8746.8 Ų46.847%0.46526%0.257SS..Hα-helixtrans-96.2-33.9-179.1-69.2-35.1000112.8D159 L162 S163D159-N165 WeakPolarHBondContact O-CB 3.16Å; D159-N165 PolarHBondContact O-ND2 2.82Å; L162-N165 PolarHBondContact O-N 2.82Å; S163-N165 PolarHBondContact O-N 2.97Å
166V92.8Very high89.9Confident8 Ų849.2 Ų49.25%0.04827%0.274CS..Hα-helixtrans-85.3-43.3-174.3-171.60000111.3H160 L162 S163 S169 W170 W227 K300 V304H160-V166 VanDerWaalsContact O-CG2 3.27Å; H160-V166 WeakPolarHBondContact O-CG2 3.02Å; L162-V166 WeakPolarHBondContact O-CG2 3.27Å; L162-V166 PolarHBondContact O-N 3.07Å; L162-V166 VanDerWaalsContact O-N 3.1Å; S163-V166 PolarHBondContact O-N 3.29Å; S163-V166 VanDerWaalsContact O-N 3.16Å; V166-S169 PolarHBondContact O-OG 2.94Å; V166-W170 PolarHBondContact O-N 2.79Å; V166-W227 HydrophobicContact CG1-CH2 4.43Å; V166-W227 HydrophobicContact CG1-CZ2 3.77Å; V166-K300 HydrophobicContact CG1-CB 3.93Å; V166-K300 HydrophobicContact CG1-CG 4.24Å; V166-K300 HydrophobicContact CG2-CG 4.43Å; V166-V304 HydrophobicContact CB-CG2 4.37Å; V166-V304 HydrophobicContact CG1-CG2 3.53Å
167V94Very high90.1Very high2 Ų249 Ų491%0.01227%0.273CS..Hα-helixtrans-60.6-53.6-174.7175.50000112.1S163 S169 W170 E171 T303S163-V167 VanDerWaalsContact O-CB 3.25Å; S163-V167 WeakPolarHBondContact O-CB 3.41Å; S163-V167 VanDerWaalsContact O-CG2 3.28Å; S163-V167 WeakPolarHBondContact O-CG2 3.49Å; S163-V167 PolarHBondContact O-N 2.87Å; V167-S169 PolarHBondContact O-N 3.49Å; V167-W170 PolarHBondContact O-N 3.11Å; V167-W170 VanDerWaalsContact O-N 3.15Å; V167-E171 VanDerWaalsContact CG1-CD 3.49Å; V167-E171 HydrophobicContact CG1-CG 3.77Å; V167-E171 WeakPolarHBondContact O-CB 2.89Å; V167-E171 WeakPolarHBondContact O-CG 3.03Å; V167-E171 PolarHBondContact O-N 2.77Å; V167-T303 HydrophobicContact CG2-CG2 4.33Å
168P93.5Very high90.3Very high70 Ų7050 Ų5046%0.45528%0.279SS..Hα-helixtrans-61.6-34.9-174.6-24.636000113V164 W170 A172V164-P168 WeakPolarHBondContact O-CD 3.41Å; V164-P168 VanDerWaalsContact O-CG 3.24Å; V164-P168 WeakPolarHBondContact O-CG 3.41Å; P168-W170 VanDerWaalsContact C-N 3.34Å; P168-W170 PolarHBondContact O-N 3.25Å; P168-A172 WeakPolarHBondContact O-CB 3.27Å; P168-A172 PolarHBondContact O-N 2.86Å
169S91.3Very high90.5Very high54 Ų5450.5 Ų50.538%0.37829%0.291SS..Hα-helixtrans-65-36.7-178.776.70000112.9V166 V167 H226V166-S169 PolarHBondContact O-OG 2.94Å; V167-S169 PolarHBondContact O-N 3.49Å; S169-H226 PolarHBondContact OG-NE2 2.59Å
170W93.9Very high91Very high1 Ų149.7 Ų49.70%0.00429%0.285CS..Hα-helixtrans-84.6-40.2176.4177.992.4000111.8V166 V167 P168 A172 M173 W174 L219 L223 V304 L305 A308 L526V166-W170 PolarHBondContact O-N 2.79Å; V167-W170 PolarHBondContact O-N 3.11Å; V167-W170 VanDerWaalsContact O-N 3.15Å; P168-W170 VanDerWaalsContact C-N 3.34Å; P168-W170 PolarHBondContact O-N 3.25Å; W170-A172 VanDerWaalsContact C-N 3.28Å; W170-A172 PolarHBondContact O-N 2.65Å; W170-M173 CarbonylContact O-C 3.55Å; W170-M173 WeakPolarHBondContact O-CA 3.43Å; W170-M173 WeakPolarHBondContact O-CB 3.37Å; W170-M173 PolarHBondContact O-N 3.31Å; W170-W174 HydrophobicContact CD2-CB 4.08Å; W170-W174 HydrophobicContact CE3-CB 3.91Å; W170-W174 HydrophobicContact CE3-CG 4.45Å; W170-W174 HydrophobicContact CH2-CB 3.76Å; W170-W174 AromaticContact CH2-CD1 3.76Å; W170-W174 AromaticContact CH2-CD2 3.77Å; W170-W174 HydrophobicContact CH2-CD2 3.77Å; W170-W174 HydrophobicContact CH2-CE3 4.36Å; W170-W174 AromaticContact CH2-CG 3.46Å; W170-W174 HydrophobicContact CH2-CG 3.46Å; W170-W174 VanDerWaalsContact CH2-CG 3.46Å; W170-W174 HydrophobicContact CZ2-CB 3.9Å; W170-W174 AromaticContact CZ2-CD2 3.86Å; W170-W174 HydrophobicContact CZ2-CD2 3.86Å; W170-W174 AromaticContact CZ2-CE3 3.98Å; W170-W174 HydrophobicContact CZ2-CE3 3.98Å; W170-W174 AromaticContact CZ2-CG 3.83Å; W170-W174 HydrophobicContact CZ2-CG 3.83Å; W170-W174 HydrophobicContact CZ3-CB 3.75Å; W170-W174 AromaticContact CZ3-CD1 3.94Å; W170-W174 AromaticContact CZ3-CG 3.8Å; W170-W174 HydrophobicContact CZ3-CG 3.8Å; W170-W174 PolarHBondContact O-N 3.31Å; W170-L219 HydrophobicContact CH2-CD1 4.39Å; W170-L219 HydrophobicContact CZ2-CD1 3.73Å; W170-L223 HydrophobicContact CZ2-CD2 4.35Å; W170-V304 HydrophobicContact CB-CG1 3.64Å; W170-V304 HydrophobicContact CB-CG2 4.1Å; W170-V304 HydrophobicContact CD2-CG1 3.06Å; W170-V304 HydrophobicContact CE3-CG1 3.11Å; W170-V304 HydrophobicContact CG-CG1 3.33Å; W170-V304 HydrophobicContact CH2-CG1 4.29Å; W170-V304 HydrophobicContact CZ2-CG1 4.29Å; W170-V304 HydrophobicContact CZ3-CG1 3.76Å; W170-L305 HydrophobicContact CH2-CD2 4.5Å; W170-L305 HydrophobicContact CZ2-CD2 4.42Å; W170-A308 HydrophobicContact CH2-CB 4.02Å; W170-A308 HydrophobicContact CZ3-CB 3.63Å; W170-L526 HydrophobicContact CH2-CD1 4.24Å
171E91.9Very high91.3Very high47 Ų4746 Ų4622%0.2227%0.266CS..Hα-helixtrans-58.3-41.3177.7-76.9-166.815300111.6V167 M173 W174 N175V167-E171 VanDerWaalsContact CG1-CD 3.49Å; V167-E171 HydrophobicContact CG1-CG 3.77Å; V167-E171 WeakPolarHBondContact O-CB 2.89Å; V167-E171 WeakPolarHBondContact O-CG 3.03Å; V167-E171 PolarHBondContact O-N 2.77Å; E171-M173 PolarHBondContact O-N 3.34Å; E171-W174 PolarHBondContact O-N 3.07Å; E171-N175 WeakPolarHBondContact O-CB 3.49Å; E171-N175 PolarHBondContact O-N 3.5Å; E171-N175 PolarHBondContact O-ND2 2.86Å
172A91.7Very high91.2Very high62 Ų6247.5 Ų47.551%0.51228%0.283SS..Hα-helixtrans-55.9-39.3173.700000112.2P168 W170 V176P168-A172 WeakPolarHBondContact O-CB 3.27Å; P168-A172 PolarHBondContact O-N 2.86Å; W170-A172 VanDerWaalsContact C-N 3.28Å; W170-A172 PolarHBondContact O-N 2.65Å; A172-V176 WeakPolarHBondContact O-CG2 3.13Å
173M92.2Very high91Very high64 Ų6453.5 Ų53.532%0.31530%0.302SS..Hα-helixtrans-74.8-41.8176.9-173.4-168.9-57.900112.7W170 E171 A177 K222 H226W170-M173 CarbonylContact O-C 3.55Å; W170-M173 WeakPolarHBondContact O-CA 3.43Å; W170-M173 WeakPolarHBondContact O-CB 3.37Å; W170-M173 PolarHBondContact O-N 3.31Å; E171-M173 PolarHBondContact O-N 3.34Å; M173-A177 PolarHBondContact O-N 2.65Å; M173-K222 HydrophobicContact CG-CD 4.5Å; M173-K222 HydrophobicContact SD-CD 4.2Å; M173-H226 HydrophobicContact CE-CB 3.81Å; M173-H226 WeakPolarHBondContact CE-ND1 3.5Å; M173-H226 HydrophobicContact SD-CB 4.28Å
174W94Very high90.9Very high10 Ų1058.3 Ų58.34%0.03832%0.323CS..Hα-helixtrans-69.7-45.6-177.5-179.4-108.4000111.4W170 E171 V176 A177 V178 P217 L219 K222 L526 L527W170-W174 HydrophobicContact CD2-CB 4.08Å; W170-W174 HydrophobicContact CE3-CB 3.91Å; W170-W174 HydrophobicContact CE3-CG 4.45Å; W170-W174 HydrophobicContact CH2-CB 3.76Å; W170-W174 AromaticContact CH2-CD1 3.76Å; W170-W174 AromaticContact CH2-CD2 3.77Å; W170-W174 HydrophobicContact CH2-CD2 3.77Å; W170-W174 HydrophobicContact CH2-CE3 4.36Å; W170-W174 AromaticContact CH2-CG 3.46Å; W170-W174 HydrophobicContact CH2-CG 3.46Å; W170-W174 VanDerWaalsContact CH2-CG 3.46Å; W170-W174 HydrophobicContact CZ2-CB 3.9Å; W170-W174 AromaticContact CZ2-CD2 3.86Å; W170-W174 HydrophobicContact CZ2-CD2 3.86Å; W170-W174 AromaticContact CZ2-CE3 3.98Å; W170-W174 HydrophobicContact CZ2-CE3 3.98Å; W170-W174 AromaticContact CZ2-CG 3.83Å; W170-W174 HydrophobicContact CZ2-CG 3.83Å; W170-W174 HydrophobicContact CZ3-CB 3.75Å; W170-W174 AromaticContact CZ3-CD1 3.94Å; W170-W174 AromaticContact CZ3-CG 3.8Å; W170-W174 HydrophobicContact CZ3-CG 3.8Å; W170-W174 PolarHBondContact O-N 3.31Å; E171-W174 PolarHBondContact O-N 3.07Å; W174-V176 VanDerWaalsContact C-N 3.32Å; W174-V176 PolarHBondContact O-N 2.75Å; W174-A177 CarbonylContact O-C 3.54Å; W174-A177 WeakPolarHBondContact O-CA 3.46Å; W174-A177 WeakPolarHBondContact O-CB 3.07Å; W174-A177 PolarHBondContact O-N 3.36Å; W174-V178 HydrophobicContact CD2-CG2 4.05Å; W174-V178 HydrophobicContact CG-CG2 4.26Å; W174-V178 HydrophobicContact CZ2-CG2 3.86Å; W174-V178 WeakPolarHBondContact O-CG2 3.39Å; W174-V178 PolarHBondContact O-N 3.27Å; W174-P217 HydrophobicContact CH2-CG 4.29Å; W174-P217 HydrophobicContact CZ3-CB 4.38Å; W174-L219 HydrophobicContact CE3-CD1 4.28Å; W174-L219 HydrophobicContact CH2-CB 4.44Å; W174-L219 HydrophobicContact CH2-CD1 4.16Å; W174-L219 HydrophobicContact CZ3-CB 4.46Å; W174-L219 HydrophobicContact CZ3-CD1 3.92Å; W174-K222 HydrophobicContact CE3-CB 4.33Å; W174-K222 HydrophobicContact CE3-CG 4.25Å; W174-K222 HydrophobicContact CZ3-CB 4.48Å; W174-K222 HydrophobicContact CZ3-CG 4.26Å; W174-L526 HydrophobicContact CZ2-CB 3.8Å; W174-L526 HydrophobicContact CZ2-CD1 3.97Å; W174-L527 HydrophobicContact CZ2-CD2 4.39Å
175N91.1Very high90.8Very high82 Ų8257.6 Ų57.644%0.43931%0.312SS..Hα-helixtrans-63-37.1-179.2-68-20.5000112.1E171 V178 S179E171-N175 WeakPolarHBondContact O-CB 3.49Å; E171-N175 PolarHBondContact O-N 3.5Å; E171-N175 PolarHBondContact O-ND2 2.86Å; N175-V178 PolarHBondContact O-N 3.08Å; N175-S179 WeakPolarHBondContact O-CB 3.43Å; N175-S179 PolarHBondContact O-N 2.86Å; N175-S179 PolarHBondContact O-OG 2.93Å
176V91.8Very high90.4Very high80 Ų8057.6 Ų57.649%0.48531%0.312SS..Hα-helixtrans-62.7-43.4171.4172.60000110.9A172 W174 S179 E180A172-V176 WeakPolarHBondContact O-CG2 3.13Å; W174-V176 VanDerWaalsContact C-N 3.32Å; W174-V176 PolarHBondContact O-N 2.75Å; V176-S179 WeakPolarHBondContact CA-OG 3.42Å; V176-S179 PolarHBondContact O-OG 3.48Å; V176-E180 WeakPolarHBondContact O-CB 3.45Å; V176-E180 WeakPolarHBondContact O-CG 2.98Å; V176-E180 PolarHBondContact O-N 2.61Å
177A90.9Very high90Very high10 Ų1059 Ų598%0.08332%0.324CS..Hα-helixtrans-66.9-38.8178.700000112.9M173 W174 Y181 P217M173-A177 PolarHBondContact O-N 2.65Å; W174-A177 CarbonylContact O-C 3.54Å; W174-A177 WeakPolarHBondContact O-CA 3.46Å; W174-A177 WeakPolarHBondContact O-CB 3.07Å; W174-A177 PolarHBondContact O-N 3.36Å; A177-Y181 WeakPolarHBondContact O-CB 3.3Å; A177-Y181 PolarHBondContact O-N 3.09Å; A177-P217 HydrophobicContact CB-CB 4.12Å
178V90.5Very high89.5Confident31 Ų3159.2 Ų59.219%0.18833%0.326CS..Hα-helixtrans-68.3-46.5177.41740000110.8W174 N175 Y181 A182 L527W174-V178 HydrophobicContact CD2-CG2 4.05Å; W174-V178 HydrophobicContact CG-CG2 4.26Å; W174-V178 HydrophobicContact CZ2-CG2 3.86Å; W174-V178 WeakPolarHBondContact O-CG2 3.39Å; W174-V178 PolarHBondContact O-N 3.27Å; N175-V178 PolarHBondContact O-N 3.08Å; V178-Y181 PolarHBondContact O-N 3.2Å; V178-A182 WeakPolarHBondContact O-CB 3.35Å; V178-A182 PolarHBondContact O-N 3.35Å; V178-L527 HydrophobicContact CG1-CD2 4.42Å; V178-L527 HydrophobicContact CG2-CD2 4.02Å
179S88.6Confident88.9Confident70 Ų7057.3 Ų57.349%0.4931%0.313SS..Hα-helixtrans-64-41.5178.657.20000112.3N175 V176 Y181 A182 R183N175-S179 WeakPolarHBondContact O-CB 3.43Å; N175-S179 PolarHBondContact O-N 2.86Å; N175-S179 PolarHBondContact O-OG 2.93Å; V176-S179 WeakPolarHBondContact CA-OG 3.42Å; V176-S179 PolarHBondContact O-OG 3.48Å; S179-Y181 VanDerWaalsContact C-N 3.34Å; S179-Y181 PolarHBondContact O-N 3.02Å; S179-A182 PolarHBondContact O-N 3.38Å; S179-R183 WeakPolarHBondContact O-CB 3.35Å; S179-R183 PolarHBondContact O-N 3.35Å
180E90Very high88.4Confident79 Ų7957 Ų5737%0.36931%0.305SS..Hα-helixtrans-59.9-43.6172-85.3-166-154.100112.6V176 K184V176-E180 WeakPolarHBondContact O-CB 3.45Å; V176-E180 WeakPolarHBondContact O-CG 2.98Å; V176-E180 PolarHBondContact O-N 2.61Å; E180-K184 WeakPolarHBondContact O-CB 3.38Å; E180-K184 VanDerWaalsContact O-CG 3.26Å; E180-K184 WeakPolarHBondContact O-CG 3.26Å; E180-K184 PolarHBondContact O-N 2.9Å; E180-K184 IonicContact OE2-NZ 3.65Å; E180-K184 PolarHBondContact OE2-NZ 2.86Å
181Y91Very high87.7Confident46 Ų4664.2 Ų64.218%0.1833%0.333CS..Hα-helixtrans-65.8-45.7178.4171.8-109.7000111.5A177 V178 S179 R183 K184 K185 P214 K216 P217 L527A177-Y181 WeakPolarHBondContact O-CB 3.3Å; A177-Y181 PolarHBondContact O-N 3.09Å; V178-Y181 PolarHBondContact O-N 3.2Å; S179-Y181 VanDerWaalsContact C-N 3.34Å; S179-Y181 PolarHBondContact O-N 3.02Å; Y181-R183 VanDerWaalsContact C-N 3.34Å; Y181-R183 PolarHBondContact O-N 3.38Å; Y181-K184 PolarHBondContact O-N 3.24Å; Y181-K185 HydrophobicContact CE1-CD 4.21Å; Y181-K185 VanDerWaalsContact O-CB 3.22Å; Y181-K185 WeakPolarHBondContact O-CB 3.01Å; Y181-K185 PolarHBondContact O-N 2.91Å; Y181-P214 HydrophobicContact CD2-CB 4.35Å; Y181-P214 HydrophobicContact CD2-CG 4.12Å; Y181-P214 HydrophobicContact CE2-CB 4.4Å; Y181-P214 HydrophobicContact CE2-CG 3.94Å; Y181-K216 HydrophobicContact CE1-CB 4.46Å; Y181-K216 VanDerWaalsContact CE2-CA 3.45Å; Y181-K216 HydrophobicContact CE2-CB 3.92Å; Y181-P217 HydrophobicContact CG-CG 4.48Å; Y181-L527 HydrophobicContact CD1-CD2 4.06Å; Y181-L527 HydrophobicContact CE1-CD1 4.47Å; Y181-L527 HydrophobicContact CE1-CD2 4.35Å
182A85.9Confident87.2Confident52 Ų5263.4 Ų63.443%0.4333%0.331SS..Hα-helixtrans-58.1-46.3176.800000111.2V178 S179 K185 L186V178-A182 WeakPolarHBondContact O-CB 3.35Å; V178-A182 PolarHBondContact O-N 3.35Å; S179-A182 PolarHBondContact O-N 3.38Å; A182-K185 PolarHBondContact O-N 3.44Å; A182-L186 WeakPolarHBondContact O-CB 3.5Å; A182-L186 PolarHBondContact O-N 3.46Å
183R86.6Confident86.4Confident171 Ų17167.6 Ų67.665%0.64534%0.335SS*.Hα-helixtrans-61.1-46.3176.1-175.3178.763.6171.7-2.7112.3S179 Y181 K185 A187S179-R183 WeakPolarHBondContact O-CB 3.35Å; S179-R183 PolarHBondContact O-N 3.35Å; Y181-R183 VanDerWaalsContact C-N 3.34Å; Y181-R183 PolarHBondContact O-N 3.38Å; R183-K185 VanDerWaalsContact C-N 3.34Å; R183-A187 WeakPolarHBondContact O-CB 3.46Å; R183-A187 PolarHBondContact O-N 3.37Å
184K88.5Confident85.5Confident102 Ų10264.6 Ų64.644%0.44332%0.32SS..Hα-helixtrans-66-37.3177.6-71.9168.8-176.4160.70111.5E180 Y181 A188 P214E180-K184 WeakPolarHBondContact O-CB 3.38Å; E180-K184 VanDerWaalsContact O-CG 3.26Å; E180-K184 WeakPolarHBondContact O-CG 3.26Å; E180-K184 PolarHBondContact O-N 2.9Å; E180-K184 IonicContact OE2-NZ 3.65Å; E180-K184 PolarHBondContact OE2-NZ 2.86Å; Y181-K184 PolarHBondContact O-N 3.24Å; K184-A188 VanDerWaalsContact O-CB 3.26Å; K184-A188 WeakPolarHBondContact O-CB 3.42Å; K184-A188 PolarHBondContact O-N 3.44Å; K184-P214 HydrophobicContact CB-CB 3.84Å; K184-P214 HydrophobicContact CB-CG 3.91Å
185K85.8Confident84.5Confident82 Ų8265.9 Ų65.936%0.35733%0.327SS..Hα-helixtrans-67.5-44.8179.7-175.8-171.2175.7-163.80109.8Y181 A182 R183 A188 T189 P214Y181-K185 HydrophobicContact CE1-CD 4.21Å; Y181-K185 VanDerWaalsContact O-CB 3.22Å; Y181-K185 WeakPolarHBondContact O-CB 3.01Å; Y181-K185 PolarHBondContact O-N 2.91Å; A182-K185 PolarHBondContact O-N 3.44Å; R183-K185 VanDerWaalsContact C-N 3.34Å; K185-A188 PolarHBondContact O-N 2.91Å; K185-T189 WeakPolarHBondContact O-CB 3.3Å; K185-T189 PolarHBondContact O-N 3.03Å; K185-T189 PolarHBondContact O-OG1 3.29Å; K185-P214 HydrophobicContact CB-CG 4.04Å
186L83Confident83.4Confident87 Ų8769.5 Ų69.546%0.45534%0.335SS..Hα-helixtrans-59.8-53.3175.4-172.268.8000110.8A182 A188 T189 E190 F197A182-L186 WeakPolarHBondContact O-CB 3.5Å; A182-L186 PolarHBondContact O-N 3.46Å; L186-A188 VanDerWaalsContact C-N 3.31Å; L186-A188 PolarHBondContact O-N 3.38Å; L186-T189 WeakPolarHBondContact O-CB 3.3Å; L186-T189 PolarHBondContact O-N 3.2Å; L186-E190 WeakPolarHBondContact O-CG 3.26Å; L186-E190 PolarHBondContact O-N 3.38Å; L186-F197 HydrophobicContact CD1-CD2 3.65Å; L186-F197 HydrophobicContact CD1-CE2 4.08Å; L186-F197 HydrophobicContact CD1-CG 4.26Å; L186-F197 HydrophobicContact CG-CD2 4.42Å
187A83.8Confident82Confident36 Ų3669.6 Ų69.630%0.29833%0.329SS..Hα-helixtrans-60.7-36.3179.200000113.5R183 R191R183-A187 WeakPolarHBondContact O-CB 3.46Å; R183-A187 PolarHBondContact O-N 3.37Å; A187-R191 WeakPolarHBondContact O-CG 3.35Å; A187-R191 PolarHBondContact O-N 2.78Å
188A83.6Confident80.4Confident8 Ų875.8 Ų75.87%0.06635%0.354CS..Hα-helixtrans-69.1-39.8174.300000111.8K184 K185 L186 R191 T192 V211 M213K184-A188 VanDerWaalsContact O-CB 3.26Å; K184-A188 WeakPolarHBondContact O-CB 3.42Å; K184-A188 PolarHBondContact O-N 3.44Å; K185-A188 PolarHBondContact O-N 2.91Å; L186-A188 VanDerWaalsContact C-N 3.31Å; L186-A188 PolarHBondContact O-N 3.38Å; A188-R191 PolarHBondContact O-N 3.24Å; A188-T192 VanDerWaalsContact O-CB 3.3Å; A188-T192 WeakPolarHBondContact O-CB 3.49Å; A188-T192 PolarHBondContact O-N 3.3Å; A188-T192 PolarHBondContact O-OG1 2.8Å; A188-V211 HydrophobicContact CB-CG1 4.08Å; A188-M213 HydrophobicContact CB-SD 4.15Å
189T81.2Confident78.5Confident30 Ų3081.1 Ų81.118%0.18438%0.382CS..Hα-helixtrans-64.1-45.4176.9-550000110.7K185 L186 R191 T192 Y193 F197K185-T189 WeakPolarHBondContact O-CB 3.3Å; K185-T189 PolarHBondContact O-N 3.03Å; K185-T189 PolarHBondContact O-OG1 3.29Å; L186-T189 WeakPolarHBondContact O-CB 3.3Å; L186-T189 PolarHBondContact O-N 3.2Å; T189-R191 PolarHBondContact O-N 3.36Å; T189-T192 PolarHBondContact O-N 2.96Å; T189-Y193 HydrophobicContact CG2-CD2 3.77Å; T189-Y193 HydrophobicContact CG2-CE2 3.96Å; T189-Y193 WeakPolarHBondContact O-CD2 3.43Å; T189-Y193 PolarHBondContact O-N 2.87Å; T189-F197 HydrophobicContact CG2-CE2 4.37Å; T189-F197 HydrophobicContact CG2-CZ 4.5Å
190E80.8Confident76.8Confident46 Ų4685 Ų8522%0.21539%0.392CS..Hα-helixtrans-53.3-50.8173.7-77.6-172.6153.900112.2L186 G194 L195 F197L186-E190 WeakPolarHBondContact O-CG 3.26Å; L186-E190 PolarHBondContact O-N 3.38Å; E190-G194 CarbonylContact O-C 3.54Å; E190-G194 WeakPolarHBondContact O-CA 3.31Å; E190-G194 PolarHBondContact O-N 3.17Å; E190-L195 CarbonylContact C-O 3.55Å; E190-L195 WeakPolarHBondContact CA-O 3.35Å; E190-L195 WeakPolarHBondContact CB-O 3.44Å; E190-L195 VanDerWaalsContact CG-O 3.25Å; E190-L195 WeakPolarHBondContact CG-O 3.44Å; E190-L195 PolarHBondContact O-N 3.31Å; E190-F197 HydrophobicContact CG-CD2 3.37Å; E190-F197 HydrophobicContact CG-CE2 3.66Å; E190-F197 WeakPolarHBondContact OE1-CD2 3.39Å; E190-F197 PolarHBondContact OE1-N 2.95Å
191R79.5Confident74.8Confident154 Ų15490.1 Ų90.158%0.58141%0.408SS*.Hα-helixtrans-68.6-36.4177.8-67178.3-173.4-175-0.4113.2A187 A188 T189 Y193 G194 E209 V211A187-R191 WeakPolarHBondContact O-CG 3.35Å; A187-R191 PolarHBondContact O-N 2.78Å; A188-R191 PolarHBondContact O-N 3.24Å; T189-R191 PolarHBondContact O-N 3.36Å; R191-Y193 VanDerWaalsContact C-N 3.33Å; R191-Y193 PolarHBondContact O-N 2.94Å; R191-G194 PolarHBondContact O-N 3.49Å; R191-E209 PolarHBondContact O-N 2.8Å; R191-V211 HydrophobicContact CB-CB 4.44Å; R191-V211 HydrophobicContact CB-CG2 3.55Å
192T79.8Confident73.2Confident29 Ų2991.7 Ų91.718%0.17842%0.422CS..Hα-helixtrans-62.3-42.7-179-57.10000111.9A188 T189 S208 E209A188-T192 VanDerWaalsContact O-CB 3.3Å; A188-T192 WeakPolarHBondContact O-CB 3.49Å; A188-T192 PolarHBondContact O-N 3.3Å; A188-T192 PolarHBondContact O-OG1 2.8Å; T189-T192 PolarHBondContact O-N 2.96Å; T192-S208 WeakPolarHBondContact O-CB 3.37Å; T192-E209 VanDerWaalsContact CA-O 3.23Å; T192-E209 WeakPolarHBondContact CA-O 3.42Å
193Y76.4Confident72Confident151 Ų15193.8 Ų93.859%0.59242%0.423SS*.Hα-helixtrans-100.9-1-177.9-64.4-74.3000113.6T189 R191 L195T189-Y193 HydrophobicContact CG2-CD2 3.77Å; T189-Y193 HydrophobicContact CG2-CE2 3.96Å; T189-Y193 WeakPolarHBondContact O-CD2 3.43Å; T189-Y193 PolarHBondContact O-N 2.87Å; R191-Y193 VanDerWaalsContact C-N 3.33Å; R191-Y193 PolarHBondContact O-N 2.94Å; Y193-L195 VanDerWaalsContact C-N 3.28Å; Y193-L195 VanDerWaalsContact CB-CD1 3.47Å; Y193-L195 HydrophobicContact CG-CD1 4.29Å; Y193-L195 PolarHBondContact O-N 2.7Å
194G73.6Confident70.9Confident1 Ų191.3 Ų91.31%0.0143%0.426CS..THydrogen-bonded Turntrans67.828.3-175.800000113.5E190 R191 V205 S206E190-G194 CarbonylContact O-C 3.54Å; E190-G194 WeakPolarHBondContact O-CA 3.31Å; E190-G194 PolarHBondContact O-N 3.17Å; R191-G194 PolarHBondContact O-N 3.49Å; G194-V205 PolarHBondContact O-N 3.39Å; G194-S206 WeakPolarHBondContact CA-O 3.31Å; G194-S206 PolarHBondContact O-N 3.04Å
195L71.4Confident69.7Low36 Ų3690.3 Ų90.319%0.18843%0.429CS..EExtended strand (participates in β ladder)trans-105.7147.5-173.8-53.1175.9000110.6E190 Y193 F197 V202 H203 V204E190-L195 CarbonylContact C-O 3.55Å; E190-L195 WeakPolarHBondContact CA-O 3.35Å; E190-L195 WeakPolarHBondContact CB-O 3.44Å; E190-L195 VanDerWaalsContact CG-O 3.25Å; E190-L195 WeakPolarHBondContact CG-O 3.44Å; E190-L195 PolarHBondContact O-N 3.31Å; Y193-L195 VanDerWaalsContact C-N 3.28Å; Y193-L195 VanDerWaalsContact CB-CD1 3.47Å; Y193-L195 HydrophobicContact CG-CD1 4.29Å; Y193-L195 PolarHBondContact O-N 2.7Å; L195-F197 HydrophobicContact CB-CE2 4.49Å; L195-F197 HydrophobicContact CD1-CZ 4.24Å; L195-V202 HydrophobicContact CB-CG1 3.99Å; L195-V202 HydrophobicContact CD1-CG1 3.75Å; L195-V202 HydrophobicContact CD2-CG1 3.59Å; L195-V202 HydrophobicContact CG-CG1 3.94Å; L195-H203 CarbonylContact C-O 3.48Å; L195-H203 VanDerWaalsContact CA-O 3.27Å; L195-H203 WeakPolarHBondContact CA-O 3.32Å; L195-V204 HydrophobicContact CD2-CB 4.44Å; L195-V204 HydrophobicContact CD2-CG2 3.76Å
196R67.8Low68.5Low159 Ų15989.9 Ų89.960%0.644%0.436SS*.EExtended strand (participates in β ladder)trans-114.5128.2158.9-84.3-169.1-179.3166.3-2.7108.9H203 V205R196-H203 HydrophobicContact CB-CB 4.46Å; R196-H203 PolarHBondContact N-O 3.03Å; R196-H203 PolarHBondContact O-N 3.16Å; R196-V205 HydrophobicContact CB-CG2 3.88Å; R196-V205 HydrophobicContact CG-CG2 3.84Å
197F63Low67.8Low82 Ų8295 Ų9536%0.3646%0.455SS..EExtended strand (participates in β ladder)trans-90.6104.2170.8-59.7-82.6000108.3L186 T189 E190 L195 V202L186-F197 HydrophobicContact CD1-CD2 3.65Å; L186-F197 HydrophobicContact CD1-CE2 4.08Å; L186-F197 HydrophobicContact CD1-CG 4.26Å; L186-F197 HydrophobicContact CG-CD2 4.42Å; T189-F197 HydrophobicContact CG2-CE2 4.37Å; T189-F197 HydrophobicContact CG2-CZ 4.5Å; E190-F197 HydrophobicContact CG-CD2 3.37Å; E190-F197 HydrophobicContact CG-CE2 3.66Å; E190-F197 WeakPolarHBondContact OE1-CD2 3.39Å; E190-F197 PolarHBondContact OE1-N 2.95Å; L195-F197 HydrophobicContact CB-CE2 4.49Å; L195-F197 HydrophobicContact CD1-CZ 4.24Å; F197-V202 HydrophobicContact CD1-CG2 3.9Å; F197-V202 HydrophobicContact CE1-CG2 3.73Å
198K57Low66.9Low140 Ų14097.6 Ų97.661%0.60947%0.471SS*.EExtended strand (participates in β ladder)trans-126128.7173.8-151.7-177-178.4-169.50108.7Q200 R201K198-Q200 VanDerWaalsContact C-N 3.3Å; K198-Q200 PolarHBondContact O-N 3.31Å; K198-R201 PolarHBondContact N-O 3.46Å; K198-R201 VanDerWaalsContact N-O 3.12Å; K198-R201 PolarHBondContact O-N 3.22Å
199D52.3Low66.4Low143 Ų143103 Ų10377%0.76550%0.495SS*.THydrogen-bonded Turntrans47.247.9177.3-53.5-36.5000114.1R201D199-R201 PolarHBondContact O-N 3.27Å; D199-R201 VanDerWaalsContact O-N 3.09Å
200Q50.9Low66.1Low152 Ų152113.9 Ų113.971%0.7153%0.532SS*.THydrogen-bonded Turntrans637.3-177.8-56.6178.1-13.500115.6K198K198-Q200 VanDerWaalsContact C-N 3.3Å; K198-Q200 PolarHBondContact O-N 3.31Å
201R48.7Very low65.9Low185 Ų185113.8 Ų113.870%0.69854%0.535SS*.EExtended strand (participates in β ladder)trans-106137174.9-63-175.8-171.6-1772.8110.9K198 D199K198-R201 PolarHBondContact N-O 3.46Å; K198-R201 VanDerWaalsContact N-O 3.12Å; K198-R201 PolarHBondContact O-N 3.22Å; D199-R201 PolarHBondContact O-N 3.27Å; D199-R201 VanDerWaalsContact O-N 3.09Å
202V58Low66.1Low80 Ų80115.9 Ų115.949%0.48555%0.548SS..EExtended strand (participates in β ladder)trans-89.1111.2177.1-178.50000108.1L195 F197L195-V202 HydrophobicContact CB-CG1 3.99Å; L195-V202 HydrophobicContact CD1-CG1 3.75Å; L195-V202 HydrophobicContact CD2-CG1 3.59Å; L195-V202 HydrophobicContact CG-CG1 3.94Å; F197-V202 HydrophobicContact CD1-CG2 3.9Å; F197-V202 HydrophobicContact CE1-CG2 3.73Å
203H60Low66.1Low95 Ų95119 Ų11944%0.4456%0.561SS.*EExtended strand (participates in β ladder)trans-99.7121.9172.6-68.2-72.3000109.6L195 R196 V205L195-H203 CarbonylContact C-O 3.48Å; L195-H203 VanDerWaalsContact CA-O 3.27Å; L195-H203 WeakPolarHBondContact CA-O 3.32Å; R196-H203 HydrophobicContact CB-CB 4.46Å; R196-H203 PolarHBondContact N-O 3.03Å; R196-H203 PolarHBondContact O-N 3.16Å; H203-V205 HydrophobicContact CB-CG2 4Å; H203-V205 PolarHBondContact O-N 3.07Å
204V64.7Low66.5Low119 Ų119113.2 Ų113.272%0.72154%0.543SS*.EExtended strand (participates in β ladder)trans-75.4111.5168.1-174.70000107.2L195L195-V204 HydrophobicContact CD2-CB 4.44Å; L195-V204 HydrophobicContact CD2-CG2 3.76Å
205V63.3Low67.1Low81 Ų81122.7 Ų122.749%0.49158%0.583SS.*  trans-108.8-28.9-173.7-178.20000112.1G194 R196 H203G194-V205 PolarHBondContact O-N 3.39Å; R196-V205 HydrophobicContact CB-CG2 3.88Å; R196-V205 HydrophobicContact CG-CG2 3.84Å; H203-V205 HydrophobicContact CB-CG2 4Å; H203-V205 PolarHBondContact O-N 3.07Å
206S60.4Low67.9Low73 Ų73125.1 Ų125.151%0.5159%0.592SS.*SBendtrans-154.2171.5-172.265.70000113.4G194G194-S206 WeakPolarHBondContact CA-O 3.31Å; G194-S206 PolarHBondContact O-N 3.04Å
207K66.9Low68.8Low196 Ų196118.3 Ų118.385%0.85257%0.569SS**  trans-62.2142.3170-72.5-177.6177.7178.50110.5E209K207-E209 PolarHBondContact O-N 2.81Å
208S65.9Low70.2Confident90 Ų90121.7 Ų121.763%0.62958%0.58SS**  trans-60.6125.3175.655.80000111.6T192T192-S208 WeakPolarHBondContact O-CB 3.37Å
209E73.6Confident71.9Confident121 Ų121115 Ų11557%0.56555%0.551SS**  trans-104.1135.8171.8-72.6-177.1170.400110.5R191 T192 K207 V211R191-E209 PolarHBondContact O-N 2.8Å; T192-E209 VanDerWaalsContact CA-O 3.23Å; T192-E209 WeakPolarHBondContact CA-O 3.42Å; K207-E209 PolarHBondContact O-N 2.81Å; E209-V211 VanDerWaalsContact C-N 3.34Å; E209-V211 HydrophobicContact CB-CG2 4.08Å; E209-V211 PolarHBondContact O-N 2.78Å
210R73.7Confident73.7Confident258 Ų258110.1 Ų110.197%0.97453%0.526SS*.  trans-71.388.7173.2-74.3-174.7178.2178.80.2110.8
211V77.9Confident75.6Confident44 Ų44109.5 Ų109.527%0.26752%0.521SS..PPolyproline II helixtrans-93133176.4-177.40000110.3A188 R191 E209 M213A188-V211 HydrophobicContact CB-CG1 4.08Å; R191-V211 HydrophobicContact CB-CB 4.44Å; R191-V211 HydrophobicContact CB-CG2 3.55Å; E209-V211 VanDerWaalsContact C-N 3.34Å; E209-V211 HydrophobicContact CB-CG2 4.08Å; E209-V211 PolarHBondContact O-N 2.78Å; V211-M213 PolarHBondContact O-N 3.27Å
212K82.3Confident77.7Confident198 Ų198104 Ų10486%0.86150%0.502SS*.PPolyproline II helixtrans-67.4125.2172.3-71.2-177.5-179.2175.90109.4
213M80.9Confident79.3Confident94 Ų94100.2 Ų100.246%0.46348%0.479SS..PPolyproline II helixtrans-57.4139.6172.9-71.3-6716200110.4A188 V211A188-M213 HydrophobicContact CB-SD 4.15Å; V211-M213 PolarHBondContact O-N 3.27Å
214P84.6Confident80.8Confident30 Ų3099 Ų9920%0.19547%0.473CS..PPolyproline II helixtrans-61.7148179.827.4-35.8000110.6Y181 K184 K185 K216Y181-P214 HydrophobicContact CD2-CB 4.35Å; Y181-P214 HydrophobicContact CD2-CG 4.12Å; Y181-P214 HydrophobicContact CE2-CB 4.4Å; Y181-P214 HydrophobicContact CE2-CG 3.94Å; K184-P214 HydrophobicContact CB-CB 3.84Å; K184-P214 HydrophobicContact CB-CG 3.91Å; K185-P214 HydrophobicContact CB-CG 4.04Å; P214-K216 PolarHBondContact O-N 2.88Å
215K85.6Confident81.9Confident200 Ų20095.1 Ų95.187%0.8746%0.456SS*.PPolyproline II helixtrans-67.2125.6174-66.2-176.1-179178.30109
216K87.7Confident83.3Confident87 Ų8793.7 Ų93.738%0.37844%0.444SS..PPolyproline II helixtrans-57.4143.7171.958.7-179.4-177.3137.70111.4Y181 P214 R218 E523 L527Y181-K216 HydrophobicContact CE1-CB 4.46Å; Y181-K216 VanDerWaalsContact CE2-CA 3.45Å; Y181-K216 HydrophobicContact CE2-CB 3.92Å; P214-K216 PolarHBondContact O-N 2.88Å; K216-R218 PolarHBondContact O-N 2.94Å; K216-E523 WeakPolarHBondContact CD-OE1 3.32Å; K216-E523 WeakPolarHBondContact CE-OE1 3.49Å; K216-E523 WeakPolarHBondContact CG-OE1 3.43Å; K216-E523 IonicContact NZ-OE1 3.12Å; K216-E523 PolarHBondContact NZ-OE1 3.46Å; K216-L527 HydrophobicContact CB-CD1 3.83Å; K216-L527 HydrophobicContact CD-CD1 4.37Å
217P88.4Confident84.9Confident17 Ų1791.2 Ų91.211%0.1142%0.423CS..PPolyproline II helixtrans-65.5120.6177.227.7-33.3000108.6W174 A177 Y181 L219 L527W174-P217 HydrophobicContact CH2-CG 4.29Å; W174-P217 HydrophobicContact CZ3-CB 4.38Å; A177-P217 HydrophobicContact CB-CB 4.12Å; Y181-P217 HydrophobicContact CG-CG 4.48Å; P217-L219 PolarHBondContact O-N 2.97Å; P217-L527 HydrophobicContact CG-CD1 4.31Å; P217-L527 HydrophobicContact CG-CD2 3.89Å
218R91.1Very high86.2Confident153 Ų15389 Ų8958%0.57741%0.41SS*.PPolyproline II helixtrans-78.3121-179.9-73.6-176.6172.3-170.3-0.1110.4K216 V220 F221 K222 E523K216-R218 PolarHBondContact O-N 2.94Å; R218-V220 VanDerWaalsContact C-N 3.26Å; R218-V220 PolarHBondContact O-N 3.36Å; R218-F221 HydrophobicContact CB-CB 4.47Å; R218-F221 HydrophobicContact CB-CD2 3.7Å; R218-F221 HydrophobicContact CB-CE2 4.44Å; R218-F221 HydrophobicContact CB-CG 4.45Å; R218-F221 HydrophobicContact CG-CD2 4.26Å; R218-F221 PolarHBondContact O-N 2.84Å; R218-K222 PolarHBondContact O-N 2.88Å; R218-E523 VanDerWaalsContact CA-OE2 3.29Å; R218-E523 WeakPolarHBondContact CA-OE2 3.47Å
219L92.4Very high87.6Confident0 Ų090.5 Ų90.50%041%0.41CS..Hα-helixtrans-57.6-42.4-178.7-178.761.5000111.5W170 W174 P217 F221 K222 L223 L305 I522 E523 L526W170-L219 HydrophobicContact CH2-CD1 4.39Å; W170-L219 HydrophobicContact CZ2-CD1 3.73Å; W174-L219 HydrophobicContact CE3-CD1 4.28Å; W174-L219 HydrophobicContact CH2-CB 4.44Å; W174-L219 HydrophobicContact CH2-CD1 4.16Å; W174-L219 HydrophobicContact CZ3-CB 4.46Å; W174-L219 HydrophobicContact CZ3-CD1 3.92Å; P217-L219 PolarHBondContact O-N 2.97Å; L219-F221 PolarHBondContact O-N 3.45Å; L219-K222 PolarHBondContact O-N 3.41Å; L219-K222 VanDerWaalsContact O-N 3.16Å; L219-L223 HydrophobicContact CD1-CD1 4.09Å; L219-L223 HydrophobicContact CD1-CG 4.11Å; L219-L223 HydrophobicContact CD2-CD1 4.41Å; L219-L223 HydrophobicContact CG-CD1 3.81Å; L219-L223 HydrophobicContact CG-CG 4.28Å; L219-L223 WeakPolarHBondContact O-CG 3.34Å; L219-L223 PolarHBondContact O-N 2.78Å; L219-L305 HydrophobicContact CD1-CD2 4.03Å; L219-L305 HydrophobicContact CD2-CD2 4.05Å; L219-L305 HydrophobicContact CG-CD2 4.48Å; L219-I522 HydrophobicContact CD2-CB 3.84Å; L219-I522 HydrophobicContact CD2-CG2 3.59Å; L219-E523 HydrophobicContact CB-CB 4.02Å; L219-E523 HydrophobicContact CB-CG 4.39Å; L219-E523 PolarHBondContact N-OE2 3.5Å; L219-L526 HydrophobicContact CD1-CD1 4.38Å
220V90.9Very high88.5Confident40 Ų4086.5 Ų86.524%0.24240%0.396CS..Hα-helixtrans-53.1-52.6177.3-178.30000111R218 K222 L223 F224 C519R218-V220 VanDerWaalsContact C-N 3.26Å; R218-V220 PolarHBondContact O-N 3.36Å; V220-K222 VanDerWaalsContact C-N 3.3Å; V220-K222 PolarHBondContact O-N 3Å; V220-L223 PolarHBondContact O-N 3.08Å; V220-F224 HydrophobicContact CG1-CD2 3.7Å; V220-F224 HydrophobicContact CG1-CE2 3.88Å; V220-F224 WeakPolarHBondContact O-CB 3.3Å; V220-F224 VanDerWaalsContact O-CD2 3.27Å; V220-F224 WeakPolarHBondContact O-CD2 3.43Å; V220-F224 PolarHBondContact O-N 2.82Å; V220-C519 HydrophobicContact CG2-CB 3.61Å
221F90.8Very high89.5Confident139 Ų13974.6 Ų74.661%0.6135%0.352SS*.Hα-helixtrans-67.1-30.4-177.2-70.8-51.1000113.1R218 L219 G225R218-F221 HydrophobicContact CB-CB 4.47Å; R218-F221 HydrophobicContact CB-CD2 3.7Å; R218-F221 HydrophobicContact CB-CE2 4.44Å; R218-F221 HydrophobicContact CB-CG 4.45Å; R218-F221 HydrophobicContact CG-CD2 4.26Å; R218-F221 PolarHBondContact O-N 2.84Å; L219-F221 PolarHBondContact O-N 3.45Å; F221-G225 WeakPolarHBondContact O-CA 3.48Å; F221-G225 PolarHBondContact O-N 3.23Å
222K91.7Very high90.3Very high69 Ų6977.2 Ų77.230%0.336%0.363SS..Hα-helixtrans-73.9-44.2177.1-67.9-65.4-176.81730112.2M173 W174 R218 L219 V220 G225 H226M173-K222 HydrophobicContact CG-CD 4.5Å; M173-K222 HydrophobicContact SD-CD 4.2Å; W174-K222 HydrophobicContact CE3-CB 4.33Å; W174-K222 HydrophobicContact CE3-CG 4.25Å; W174-K222 HydrophobicContact CZ3-CB 4.48Å; W174-K222 HydrophobicContact CZ3-CG 4.26Å; R218-K222 PolarHBondContact O-N 2.88Å; L219-K222 PolarHBondContact O-N 3.41Å; L219-K222 VanDerWaalsContact O-N 3.16Å; V220-K222 VanDerWaalsContact C-N 3.3Å; V220-K222 PolarHBondContact O-N 3Å; K222-G225 PolarHBondContact O-N 3.14Å; K222-H226 WeakPolarHBondContact O-CB 3.34Å; K222-H226 PolarHBondContact O-N 2.97Å
223L92.9Very high90.9Very high1 Ų173.5 Ų73.51%0.00534%0.344CS..Hα-helixtrans-62.5-51175-69.8170.7000111.6W170 L219 V220 G225 H226 W227 V301 L305 V340W170-L223 HydrophobicContact CZ2-CD2 4.35Å; L219-L223 HydrophobicContact CD1-CD1 4.09Å; L219-L223 HydrophobicContact CD1-CG 4.11Å; L219-L223 HydrophobicContact CD2-CD1 4.41Å; L219-L223 HydrophobicContact CG-CD1 3.81Å; L219-L223 HydrophobicContact CG-CG 4.28Å; L219-L223 WeakPolarHBondContact O-CG 3.34Å; L219-L223 PolarHBondContact O-N 2.78Å; V220-L223 PolarHBondContact O-N 3.08Å; L223-G225 VanDerWaalsContact C-N 3.34Å; L223-G225 PolarHBondContact O-N 3.16Å; L223-H226 PolarHBondContact O-N 2.84Å; L223-W227 HydrophobicContact CD2-CZ3 4.01Å; L223-W227 PolarHBondContact O-N 3.23Å; L223-V301 HydrophobicContact CD1-CG1 4.14Å; L223-V301 HydrophobicContact CD2-CG1 4.24Å; L223-L305 HydrophobicContact CD1-CD1 4.11Å; L223-L305 HydrophobicContact CD1-CD2 4.27Å; L223-L305 HydrophobicContact CD2-CD2 4.28Å; L223-L305 HydrophobicContact CD2-CG 4.48Å; L223-V340 HydrophobicContact CD1-CG1 4.13Å
224F90.1Very high91.6Very high70 Ų7069 Ų6931%0.30732%0.322SS..Hα-helixtrans-63.2-40176.7-86.3-93.3000112.1V220 H226 W227 R228 V231 Y344 I347V220-F224 HydrophobicContact CG1-CD2 3.7Å; V220-F224 HydrophobicContact CG1-CE2 3.88Å; V220-F224 WeakPolarHBondContact O-CB 3.3Å; V220-F224 VanDerWaalsContact O-CD2 3.27Å; V220-F224 WeakPolarHBondContact O-CD2 3.43Å; V220-F224 PolarHBondContact O-N 2.82Å; F224-H226 VanDerWaalsContact C-N 3.34Å; F224-H226 PolarHBondContact O-N 2.88Å; F224-W227 CarbonylContact O-C 3.6Å; F224-W227 PolarHBondContact O-N 2.84Å; F224-R228 WeakPolarHBondContact O-CA 3.4Å; F224-R228 VanDerWaalsContact O-CB 3.29Å; F224-R228 WeakPolarHBondContact O-CB 3.3Å; F224-R228 PolarHBondContact O-N 2.94Å; F224-V231 HydrophobicContact CD1-CG1 4.5Å; F224-V231 HydrophobicContact CD1-CG2 4.47Å; F224-V231 HydrophobicContact CE1-CG1 4.35Å; F224-Y344 WeakPolarHBondContact CD2-OH 3.09Å; F224-Y344 HydrophobicContact CE1-CE1 4.36Å; F224-Y344 HydrophobicContact CE2-CE2 4.42Å; F224-Y344 HydrophobicContact CZ-CE1 4.4Å; F224-I347 HydrophobicContact CE1-CD1 3.54Å; F224-I347 HydrophobicContact CZ-CD1 3.51Å; F224-I347 HydrophobicContact CZ-CG1 4.38Å
225G89.2Confident92.1Very high36 Ų3669.5 Ų69.537%0.37132%0.323SS..Hα-helixtrans-62.2-39.2178.600000113.1F221 K222 L223F221-G225 WeakPolarHBondContact O-CA 3.48Å; F221-G225 PolarHBondContact O-N 3.23Å; K222-G225 PolarHBondContact O-N 3.14Å; L223-G225 VanDerWaalsContact C-N 3.34Å; L223-G225 PolarHBondContact O-N 3.16Å
226H92.8Very high92.5Very high52 Ų5264.6 Ų64.624%0.24131%0.306CS..Hα-helixtrans-68-40.7-179.2-172.665.5000112.7S169 M173 K222 L223 F224S169-H226 PolarHBondContact OG-NE2 2.59Å; M173-H226 HydrophobicContact CE-CB 3.81Å; M173-H226 WeakPolarHBondContact CE-ND1 3.5Å; M173-H226 HydrophobicContact SD-CB 4.28Å; K222-H226 WeakPolarHBondContact O-CB 3.34Å; K222-H226 PolarHBondContact O-N 2.97Å; L223-H226 PolarHBondContact O-N 2.84Å; F224-H226 VanDerWaalsContact C-N 3.34Å; F224-H226 PolarHBondContact O-N 2.88Å
227W93.8Very high92.9Very high20 Ų2060.9 Ų60.98%0.07629%0.29CS..THydrogen-bonded Turntrans-108.125.6177.5-63.1-65.1000114.5V166 L223 F224 L229 S230 V231 V297 K300 V301 V304V166-W227 HydrophobicContact CG1-CH2 4.43Å; V166-W227 HydrophobicContact CG1-CZ2 3.77Å; L223-W227 HydrophobicContact CD2-CZ3 4.01Å; L223-W227 PolarHBondContact O-N 3.23Å; F224-W227 CarbonylContact O-C 3.6Å; F224-W227 PolarHBondContact O-N 2.84Å; W227-L229 VanDerWaalsContact C-N 3.32Å; W227-L229 PolarHBondContact O-N 2.71Å; W227-S230 WeakPolarHBondContact O-CB 3.4Å; W227-S230 PolarHBondContact O-N 3.35Å; W227-V231 PolarHBondContact O-N 2.7Å; W227-V297 HydrophobicContact CB-CG1 4.04Å; W227-V297 HydrophobicContact CG-CG1 4.34Å; W227-K300 HydrophobicContact CH2-CB 4.03Å; W227-K300 HydrophobicContact CZ2-CB 3.59Å; W227-K300 HydrophobicContact CZ2-CD 4.33Å; W227-V301 HydrophobicContact CE3-CG2 3.72Å; W227-V301 HydrophobicContact CH2-CG2 4.33Å; W227-V301 HydrophobicContact CZ3-CB 4.33Å; W227-V301 HydrophobicContact CZ3-CG2 3.46Å; W227-V301 VanDerWaalsContact CZ3-CG2 3.46Å; W227-V304 HydrophobicContact CH2-CB 4.43Å; W227-V304 HydrophobicContact CH2-CG2 3.95Å; W227-V304 HydrophobicContact CZ2-CG2 4.43Å
228R93.9Very high93.2Very high150 Ų15061 Ų6157%0.56629%0.289SS*.Hα-helixtrans-54.8-42.7-173.567-172.8179.598.20.5113.7F224 S230 V231 I232F224-R228 WeakPolarHBondContact O-CA 3.4Å; F224-R228 VanDerWaalsContact O-CB 3.29Å; F224-R228 WeakPolarHBondContact O-CB 3.3Å; F224-R228 PolarHBondContact O-N 2.94Å; R228-S230 VanDerWaalsContact C-N 3.33Å; R228-S230 PolarHBondContact O-N 2.84Å; R228-V231 PolarHBondContact O-N 3.31Å; R228-I232 WeakPolarHBondContact O-CD1 3.33Å; R228-I232 VanDerWaalsContact O-CG1 3.25Å; R228-I232 WeakPolarHBondContact O-CG1 3.43Å; R228-I232 PolarHBondContact O-N 2.78Å
229L94.7Very high93.4Very high121 Ų12155.9 Ų55.963%0.63427%0.274SS*.Hα-helixtrans-66.8-38-179.9-65.1177.6000111.2W227 Y233W227-L229 VanDerWaalsContact C-N 3.32Å; W227-L229 PolarHBondContact O-N 2.71Å; L229-Y233 WeakPolarHBondContact O-CB 3.49Å; L229-Y233 PolarHBondContact O-N 2.95Å
230S93.9Very high93.4Very high38 Ų3859 Ų5927%0.26629%0.291SS..Hα-helixtrans-66.6-40.3175.5-54.40000111.7W227 R228 G234 H293 M294W227-S230 WeakPolarHBondContact O-CB 3.4Å; W227-S230 PolarHBondContact O-N 3.35Å; R228-S230 VanDerWaalsContact C-N 3.33Å; R228-S230 PolarHBondContact O-N 2.84Å; S230-G234 PolarHBondContact O-N 3.08Å; S230-G234 VanDerWaalsContact O-N 3.1Å; S230-H293 PolarHBondContact O-CD2 3.15Å; S230-H293 PolarHBondContact O-NE2 3.09Å; S230-M294 VanDerWaalsContact O-CE 3.31Å; S230-M294 WeakPolarHBondContact O-CE 3.3Å
231V94.3Very high93.6Very high8 Ų857.1 Ų57.15%0.04828%0.279CS..Hα-helixtrans-65.4-47176.41760000111.2F224 W227 R228 Y233 G234 I235 V297 Y344 I347F224-V231 HydrophobicContact CD1-CG1 4.5Å; F224-V231 HydrophobicContact CD1-CG2 4.47Å; F224-V231 HydrophobicContact CE1-CG1 4.35Å; W227-V231 PolarHBondContact O-N 2.7Å; R228-V231 PolarHBondContact O-N 3.31Å; V231-Y233 VanDerWaalsContact C-N 3.33Å; V231-Y233 PolarHBondContact O-N 2.92Å; V231-G234 PolarHBondContact O-N 2.83Å; V231-G234 VanDerWaalsContact O-N 3.14Å; V231-I235 HydrophobicContact CG1-CD1 3.92Å; V231-I235 HydrophobicContact CG1-CG1 4.49Å; V231-I235 WeakPolarHBondContact O-CG1 3.35Å; V231-I235 PolarHBondContact O-N 3.08Å; V231-V297 HydrophobicContact CG2-CG1 4.45Å; V231-Y344 HydrophobicContact CG2-CD1 4.12Å; V231-Y344 HydrophobicContact CG2-CE1 3.8Å; V231-I347 HydrophobicContact CG1-CG2 4.19Å
232I95.2Very high93.7Very high98 Ų9850.5 Ų50.550%0.50325%0.25SS..Hα-helixtrans-59-45177.8-68.5164.5000110.8R228 G234 I235 L236R228-I232 WeakPolarHBondContact O-CD1 3.33Å; R228-I232 VanDerWaalsContact O-CG1 3.25Å; R228-I232 WeakPolarHBondContact O-CG1 3.43Å; R228-I232 PolarHBondContact O-N 2.78Å; I232-G234 VanDerWaalsContact C-N 3.32Å; I232-G234 PolarHBondContact O-N 3.37Å; I232-I235 PolarHBondContact O-N 2.87Å; I232-L236 PolarHBondContact O-N 3.47Å
233Y94.6Very high93.8Very high120 Ų12052 Ų5247%0.47126%0.26SS..Hα-helixtrans-58.6-43.3175.9174.9-104.6000112.2L229 V231 L236 L237 H293L229-Y233 WeakPolarHBondContact O-CB 3.49Å; L229-Y233 PolarHBondContact O-N 2.95Å; V231-Y233 VanDerWaalsContact C-N 3.33Å; V231-Y233 PolarHBondContact O-N 2.92Å; Y233-L236 PolarHBondContact O-N 2.87Å; Y233-L237 HydrophobicContact CD1-CD1 4.08Å; Y233-L237 HydrophobicContact CE1-CD1 3.51Å; Y233-L237 HydrophobicContact CE1-CG 4.25Å; Y233-L237 HydrophobicContact CE2-CD1 4.47Å; Y233-L237 HydrophobicContact CE2-CD2 4.39Å; Y233-L237 HydrophobicContact CE2-CG 4.39Å; Y233-L237 WeakPolarHBondContact O-CG 3.28Å; Y233-L237 PolarHBondContact O-N 3.25Å; Y233-L237 VanDerWaalsContact O-N 3.11Å; Y233-H293 AromaticContact CD1-CD2 3.63Å; Y233-H293 AromaticContact CD1-CE1 3.84Å; Y233-H293 AromaticContact CD1-NE2 3.52Å
234G94.9Very high93.8Very high0 Ų053.5 Ų53.50%027%0.268CS..Hα-helixtrans-60.7-48174.300000112.4S230 V231 I232 L236 L237 K238 N290S230-G234 PolarHBondContact O-N 3.08Å; S230-G234 VanDerWaalsContact O-N 3.1Å; V231-G234 PolarHBondContact O-N 2.83Å; V231-G234 VanDerWaalsContact O-N 3.14Å; I232-G234 VanDerWaalsContact C-N 3.32Å; I232-G234 PolarHBondContact O-N 3.37Å; G234-L236 VanDerWaalsContact C-N 3.27Å; G234-L236 PolarHBondContact O-N 3.29Å; G234-L237 WeakPolarHBondContact O-CB 3.22Å; G234-L237 PolarHBondContact O-N 2.79Å; G234-K238 PolarHBondContact O-N 2.87Å; G234-K238 VanDerWaalsContact O-N 3.1Å; G234-N290 VanDerWaalsContact C-ND2 3.31Å; G234-N290 PolarHBondContact O-ND2 2.87Å
235I94.9Very high93.8Very high41 Ų4151.5 Ų51.521%0.2126%0.26CS..Hα-helixtrans-57.7-42.7178.7-66.1166.7000110.8V231 I232 L237 K238 V239 I347 V351V231-I235 HydrophobicContact CG1-CD1 3.92Å; V231-I235 HydrophobicContact CG1-CG1 4.49Å; V231-I235 WeakPolarHBondContact O-CG1 3.35Å; V231-I235 PolarHBondContact O-N 3.08Å; I232-I235 PolarHBondContact O-N 2.87Å; I235-L237 PolarHBondContact O-N 3.47Å; I235-K238 WeakPolarHBondContact O-CB 3.43Å; I235-K238 PolarHBondContact O-N 3.37Å; I235-K238 VanDerWaalsContact O-N 3.09Å; I235-V239 HydrophobicContact CG2-CG2 4.38Å; I235-V239 WeakPolarHBondContact O-CG2 3.38Å; I235-V239 PolarHBondContact O-N 3.34Å; I235-I347 HydrophobicContact CD1-CG2 4.06Å; I235-I347 HydrophobicContact CG1-CG2 4.18Å; I235-V351 HydrophobicContact CD1-CG2 4.33Å; I235-V351 HydrophobicContact CG2-CG1 3.99Å
236L95.2Very high94.1Very high97 Ų9750.1 Ų50.151%0.50824%0.244SC..Hα-helixtrans-61-43.8177.9-174.5142.1000112.1I232 Y233 G234 K238 V239 L240I232-L236 PolarHBondContact O-N 3.47Å; Y233-L236 PolarHBondContact O-N 2.87Å; G234-L236 VanDerWaalsContact C-N 3.27Å; G234-L236 PolarHBondContact O-N 3.29Å; L236-K238 VanDerWaalsContact C-N 3.26Å; L236-K238 PolarHBondContact O-N 2.7Å; L236-V239 PolarHBondContact O-N 3.37Å; L236-L240 HydrophobicContact CD2-CD1 3.72Å; L236-L240 HydrophobicContact CD2-CG 4.41Å; L236-L240 WeakPolarHBondContact O-CG 3.42Å; L236-L240 PolarHBondContact O-N 2.73Å
237L94.9Very high94Very high9 Ų949.1 Ų49.15%0.04724%0.244CC..Hα-helixtrans-59.5-37174-67.2173.7000112.3Y233 G234 I235 A241 F286 L289 N290Y233-L237 HydrophobicContact CD1-CD1 4.08Å; Y233-L237 HydrophobicContact CE1-CD1 3.51Å; Y233-L237 HydrophobicContact CE1-CG 4.25Å; Y233-L237 HydrophobicContact CE2-CD1 4.47Å; Y233-L237 HydrophobicContact CE2-CD2 4.39Å; Y233-L237 HydrophobicContact CE2-CG 4.39Å; Y233-L237 WeakPolarHBondContact O-CG 3.28Å; Y233-L237 PolarHBondContact O-N 3.25Å; Y233-L237 VanDerWaalsContact O-N 3.11Å; G234-L237 WeakPolarHBondContact O-CB 3.22Å; G234-L237 PolarHBondContact O-N 2.79Å; I235-L237 PolarHBondContact O-N 3.47Å; L237-A241 PolarHBondContact O-N 3.11Å; L237-A241 VanDerWaalsContact O-N 3.12Å; L237-F286 HydrophobicContact CD2-CD1 3.77Å; L237-F286 HydrophobicContact CD2-CE1 4.04Å; L237-L289 HydrophobicContact CD1-CB 4.21Å; L237-N290 HydrophobicContact CB-CB 3.94Å
238K95.1Very high93.9Very high19 Ų1949 Ų498%0.08325%0.245CC..Hα-helixtrans-69.8-44.1178.5-176.363.9179.6107.50112G234 I235 L236 L240 A241 D242 N290 S352G234-K238 PolarHBondContact O-N 2.87Å; G234-K238 VanDerWaalsContact O-N 3.1Å; I235-K238 WeakPolarHBondContact O-CB 3.43Å; I235-K238 PolarHBondContact O-N 3.37Å; I235-K238 VanDerWaalsContact O-N 3.09Å; L236-K238 VanDerWaalsContact C-N 3.26Å; L236-K238 PolarHBondContact O-N 2.7Å; K238-L240 VanDerWaalsContact C-N 3.3Å; K238-L240 PolarHBondContact O-N 3.43Å; K238-A241 WeakPolarHBondContact O-CB 3.48Å; K238-A241 PolarHBondContact O-N 3.12Å; K238-A241 VanDerWaalsContact O-N 3.13Å; K238-D242 VanDerWaalsContact NZ-CG 3.33Å; K238-D242 IonicContact NZ-OD1 3.68Å; K238-D242 PolarHBondContact NZ-OD1 3.2Å; K238-D242 IonicContact NZ-OD2 2.73Å; K238-D242 PolarHBondContact NZ-OD2 3.11Å; K238-D242 PolarHBondContact O-N 3.23Å; K238-N290 HydrophobicContact CB-CB 4.47Å; K238-S352 WeakPolarHBondContact CE-OG 3.33Å
239V94.5Very high93.8Very high45 Ų4542 Ų4227%0.27322%0.219SC..Hα-helixtrans-60.7-41.9177.51720000110.7I235 L236 A241 D242 I243 L355I235-V239 HydrophobicContact CG2-CG2 4.38Å; I235-V239 WeakPolarHBondContact O-CG2 3.38Å; I235-V239 PolarHBondContact O-N 3.34Å; L236-V239 PolarHBondContact O-N 3.37Å; V239-A241 VanDerWaalsContact C-N 3.34Å; V239-A241 PolarHBondContact O-N 2.76Å; V239-D242 PolarHBondContact O-N 3.11Å; V239-I243 HydrophobicContact CG1-CD1 4.17Å; V239-I243 WeakPolarHBondContact O-CG1 3.37Å; V239-I243 PolarHBondContact O-N 3.25Å; V239-L355 HydrophobicContact CG1-CD2 4.17Å; V239-L355 HydrophobicContact CG2-CD2 4.38Å
240L93.8Very high93.7Very high67 Ų6739 Ų3935%0.35120%0.202SC..Hα-helixtrans-60.5-42.4173.8-71.7173.2000112.1L236 K238 D242 I243 L244 F286L236-L240 HydrophobicContact CD2-CD1 3.72Å; L236-L240 HydrophobicContact CD2-CG 4.41Å; L236-L240 WeakPolarHBondContact O-CG 3.42Å; L236-L240 PolarHBondContact O-N 2.73Å; K238-L240 VanDerWaalsContact C-N 3.3Å; K238-L240 PolarHBondContact O-N 3.43Å; L240-D242 VanDerWaalsContact C-N 3.35Å; L240-D242 PolarHBondContact O-N 3.41Å; L240-I243 PolarHBondContact O-N 2.73Å; L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 2.96Å; L240-F286 HydrophobicContact CD1-CE1 4.14Å; L240-F286 HydrophobicContact CD1-CZ 4.5Å
241A94.7Very high93.7Very high0 Ų037.5 Ų37.50%019%0.191CC..Hα-helixtrans-61-43.5173.600000111.6L237 K238 V239 I243 L244 Q245 F283 F286 T287L237-A241 PolarHBondContact O-N 3.11Å; L237-A241 VanDerWaalsContact O-N 3.12Å; K238-A241 WeakPolarHBondContact O-CB 3.48Å; K238-A241 PolarHBondContact O-N 3.12Å; K238-A241 VanDerWaalsContact O-N 3.13Å; V239-A241 VanDerWaalsContact C-N 3.34Å; V239-A241 PolarHBondContact O-N 2.76Å; A241-I243 PolarHBondContact O-N 2.76Å; A241-L244 WeakPolarHBondContact O-CB 3.29Å; A241-L244 PolarHBondContact O-N 3.47Å; A241-L244 VanDerWaalsContact O-N 3.14Å; A241-Q245 PolarHBondContact O-N 3.38Å; A241-F283 HydrophobicContact CB-CD2 4.03Å; A241-F283 HydrophobicContact CB-CE2 4.28Å; A241-F283 WeakPolarHBondContact O-CD2 3.3Å; A241-F286 HydrophobicContact CB-CB 3.84Å; A241-T287 WeakPolarHBondContact CB-OG1 3.15Å
242D93Very high93.6Very high0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-63.5-40.6-179.4-68.6-35.7000112.5K238 V239 L240 L244 Q245 F246 S352 Q356K238-D242 VanDerWaalsContact NZ-CG 3.33Å; K238-D242 IonicContact NZ-OD1 3.68Å; K238-D242 PolarHBondContact NZ-OD1 3.2Å; K238-D242 IonicContact NZ-OD2 2.73Å; K238-D242 PolarHBondContact NZ-OD2 3.11Å; K238-D242 PolarHBondContact O-N 3.23Å; V239-D242 PolarHBondContact O-N 3.11Å; L240-D242 VanDerWaalsContact C-N 3.35Å; L240-D242 PolarHBondContact O-N 3.41Å; D242-L244 VanDerWaalsContact C-N 3.3Å; D242-L244 PolarHBondContact O-N 3.22Å; D242-Q245 WeakPolarHBondContact O-CB 3.49Å; D242-Q245 PolarHBondContact O-N 3.39Å; D242-Q245 VanDerWaalsContact O-N 3.17Å; D242-F246 WeakPolarHBondContact O-CD2 3.45Å; D242-F246 PolarHBondContact O-N 2.64Å; D242-F246 VanDerWaalsContact O-N 3.14Å; D242-S352 WeakPolarHBondContact OD2-CB 3.39Å; D242-S352 PolarHBondContact OD2-OG 3.41Å; D242-Q356 HydrophobicContact CB-CG 4.47Å; D242-Q356 PolarHBondContact OD1-NE2 3.06Å
243I92.8Very high93.5Very high99 Ų9933.1 Ų33.151%0.50817%0.169SC..Hα-helixtrans-58.7-44.2173.8-65.9165.9000110.6V239 L240 A241 Q245 F246 A247V239-I243 HydrophobicContact CG1-CD1 4.17Å; V239-I243 WeakPolarHBondContact O-CG1 3.37Å; V239-I243 PolarHBondContact O-N 3.25Å; L240-I243 PolarHBondContact O-N 2.73Å; A241-I243 PolarHBondContact O-N 2.76Å; I243-Q245 VanDerWaalsContact C-N 3.33Å; I243-Q245 PolarHBondContact O-N 2.82Å; I243-F246 PolarHBondContact O-N 2.78Å; I243-A247 PolarHBondContact O-N 3.36Å; I243-A247 VanDerWaalsContact O-N 3.13Å
244L92.8Very high93.4Very high33 Ų3331 Ų3117%0.17317%0.166CC..Hα-helixtrans-66.5-33.3177.6-68.6164.2000112.7L240 A241 D242 A247 A279 L282 F283 F286L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 2.96Å; A241-L244 WeakPolarHBondContact O-CB 3.29Å; A241-L244 PolarHBondContact O-N 3.47Å; A241-L244 VanDerWaalsContact O-N 3.14Å; D242-L244 VanDerWaalsContact C-N 3.3Å; D242-L244 PolarHBondContact O-N 3.22Å; L244-A247 WeakPolarHBondContact O-CB 3.2Å; L244-A247 PolarHBondContact O-N 3.31Å; L244-A279 HydrophobicContact CD2-CB 4.42Å; L244-L282 HydrophobicContact CD1-CB 3.64Å; L244-L282 HydrophobicContact CD2-CB 4.36Å; L244-F283 HydrophobicContact CB-CB 3.98Å; L244-F286 HydrophobicContact CD1-CD2 3.51Å; L244-F286 HydrophobicContact CD1-CE2 3.92Å
245Q92.1Very high93.2Very high29 Ų2931.1 Ų31.114%0.13617%0.166CC..Hα-helixtrans-64-41.2175.6-169.9176.16.500111.8A241 D242 I243 A247 P249 F283 L497A241-Q245 PolarHBondContact O-N 3.38Å; D242-Q245 WeakPolarHBondContact O-CB 3.49Å; D242-Q245 PolarHBondContact O-N 3.39Å; D242-Q245 VanDerWaalsContact O-N 3.17Å; I243-Q245 VanDerWaalsContact C-N 3.33Å; I243-Q245 PolarHBondContact O-N 2.82Å; Q245-A247 VanDerWaalsContact C-N 3.31Å; Q245-P249 WeakPolarHBondContact O-CD 3.44Å; Q245-F283 HydrophobicContact CB-CD2 3.88Å; Q245-F283 HydrophobicContact CB-CE2 3.66Å; Q245-F283 HydrophobicContact CB-CZ 4.3Å; Q245-F283 HydrophobicContact CG-CE2 4.02Å; Q245-F283 HydrophobicContact CG-CZ 4.16Å; Q245-L497 HydrophobicContact CG-CD2 3.93Å; Q245-L497 VanDerWaalsContact NE2-CD2 3.32Å
246F93.7Very high93Very high7 Ų729.2 Ų29.23%0.03116%0.156CC..Hα-helixtrans-76.9-14.6177.1-81-81.1000113.8D242 I243 N248 P249 Q356 L359 A360 F363 L494 L497D242-F246 WeakPolarHBondContact O-CD2 3.45Å; D242-F246 PolarHBondContact O-N 2.64Å; D242-F246 VanDerWaalsContact O-N 3.14Å; I243-F246 PolarHBondContact O-N 2.78Å; F246-N248 VanDerWaalsContact C-N 3.31Å; F246-P249 WeakPolarHBondContact O-CD 3.4Å; F246-Q356 HydrophobicContact CE2-CB 4.07Å; F246-Q356 HydrophobicContact CE2-CG 4.14Å; F246-Q356 HydrophobicContact CZ-CB 4.31Å; F246-Q356 VanDerWaalsContact CZ-O 3.24Å; F246-Q356 WeakPolarHBondContact CZ-O 3.37Å; F246-L359 HydrophobicContact CD1-CB 4.22Å; F246-L359 HydrophobicContact CD2-CB 4.08Å; F246-L359 HydrophobicContact CD2-CD1 3.86Å; F246-L359 HydrophobicContact CE1-CB 4.02Å; F246-L359 HydrophobicContact CE2-CB 3.9Å; F246-L359 HydrophobicContact CE2-CD1 4.12Å; F246-L359 HydrophobicContact CG-CB 4.25Å; F246-L359 HydrophobicContact CG-CD1 4.45Å; F246-L359 HydrophobicContact CZ-CB 3.87Å; F246-A360 HydrophobicContact CE1-CB 3.82Å; F246-A360 HydrophobicContact CZ-CB 3.96Å; F246-F363 HydrophobicContact CB-CD2 4.37Å; F246-F363 HydrophobicContact CB-CE2 3.86Å; F246-F363 AromaticContact CD1-CD2 3.63Å; F246-F363 HydrophobicContact CD1-CD2 3.63Å; F246-F363 AromaticContact CD1-CE2 3.92Å; F246-F363 HydrophobicContact CD1-CE2 3.92Å; F246-F363 HydrophobicContact CE1-CD2 4.33Å; F246-F363 HydrophobicContact CG-CD2 4.27Å; F246-F363 HydrophobicContact CG-CE2 4.08Å; F246-L494 HydrophobicContact CD1-CD2 4.11Å; F246-L494 HydrophobicContact CE1-CD2 4.27Å; F246-L497 HydrophobicContact CD1-CD1 3.94Å; F246-L497 HydrophobicContact CE1-CB 4.4Å; F246-L497 HydrophobicContact CE1-CD1 3.88Å; F246-L497 HydrophobicContact CG-CD1 4.46Å; F246-L497 HydrophobicContact CZ-CB 4.46Å; F246-L497 HydrophobicContact CZ-CD1 4.35Å
247A92.3Very high92.7Very high30 Ų3025.9 Ų25.925%0.24814%0.143CC..Hα-helixtrans-65.8-34.2171.700000112I243 L244 Q245 Q250 I251 A279I243-A247 PolarHBondContact O-N 3.36Å; I243-A247 VanDerWaalsContact O-N 3.13Å; L244-A247 WeakPolarHBondContact O-CB 3.2Å; L244-A247 PolarHBondContact O-N 3.31Å; Q245-A247 VanDerWaalsContact C-N 3.31Å; A247-Q250 WeakPolarHBondContact O-CB 3.43Å; A247-Q250 PolarHBondContact O-N 2.91Å; A247-Q250 VanDerWaalsContact O-N 3.15Å; A247-I251 HydrophobicContact CB-CD1 4.25Å; A247-I251 WeakPolarHBondContact O-CD1 3.49Å; A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.49Å; A247-I251 PolarHBondContact O-N 2.81Å; A247-A279 HydrophobicContact CB-CB 4.45Å
248N90.6Very high92.5Very high17 Ų1725.5 Ų25.59%0.09114%0.141CC..Hα-helixtrans-60.5-48.5-175.7-82.9-12.2000114.4F246 Q250 I251 L252 S280F246-N248 VanDerWaalsContact C-N 3.31Å; N248-Q250 VanDerWaalsContact C-N 3.28Å; N248-Q250 PolarHBondContact O-N 3.13Å; N248-I251 PolarHBondContact O-N 3.47Å; N248-L252 WeakPolarHBondContact O-CB 3.46Å; N248-L252 PolarHBondContact O-N 3.13Å; N248-S280 PolarHBondContact ND2-OG 2.9Å; N248-S280 PolarHBondContact OD1-OG 3.04Å
249P91.3Very high92.1Very high4 Ų425 Ų253%0.02614%0.14CC..Hα-helixtrans-60.8-33.8173.6-25.133.3000114Q245 F246 L252 S253 V490 L494 L497Q245-P249 WeakPolarHBondContact O-CD 3.44Å; F246-P249 WeakPolarHBondContact O-CD 3.4Å; P249-L252 WeakPolarHBondContact O-CB 3.19Å; P249-L252 PolarHBondContact O-N 3.28Å; P249-S253 PolarHBondContact O-N 3.12Å; P249-V490 HydrophobicContact CB-CG1 4.46Å; P249-L494 HydrophobicContact CB-CD2 3.84Å; P249-L494 HydrophobicContact CB-CG 4.01Å; P249-L494 HydrophobicContact CG-CD2 3.97Å; P249-L494 HydrophobicContact CG-CG 4.44Å; P249-L497 HydrophobicContact CG-CD1 3.66Å
250Q92.9Very high91.7Very high57 Ų5726.5 Ų26.527%0.26614%0.144SC..Hα-helixtrans-70.1-40177.4-60.1-58.4-34.600111.2A247 N248 L252 S253 L254A247-Q250 WeakPolarHBondContact O-CB 3.43Å; A247-Q250 PolarHBondContact O-N 2.91Å; A247-Q250 VanDerWaalsContact O-N 3.15Å; N248-Q250 VanDerWaalsContact C-N 3.28Å; N248-Q250 PolarHBondContact O-N 3.13Å; Q250-L252 VanDerWaalsContact C-N 3.34Å; Q250-S253 WeakPolarHBondContact O-CB 3.37Å; Q250-S253 PolarHBondContact O-N 3.33Å; Q250-L254 PolarHBondContact O-N 2.9Å; Q250-L254 VanDerWaalsContact O-N 3.16Å
251I93.5Very high91.3Very high8 Ų825.2 Ų25.24%0.04114%0.14CC..Hα-helixtrans-69.1-35.9175.1-60160.3000110.8A247 N248 S253 L254 L255 Y272 L275 M276 A279A247-I251 HydrophobicContact CB-CD1 4.25Å; A247-I251 WeakPolarHBondContact O-CD1 3.49Å; A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.49Å; A247-I251 PolarHBondContact O-N 2.81Å; N248-I251 PolarHBondContact O-N 3.47Å; I251-S253 VanDerWaalsContact C-N 3.27Å; I251-S253 PolarHBondContact O-N 3.44Å; I251-L254 PolarHBondContact O-N 2.98Å; I251-L255 HydrophobicContact CG2-CD1 4.37Å; I251-L255 PolarHBondContact O-N 3.39Å; I251-Y272 VanDerWaalsContact CG2-O 3.28Å; I251-Y272 WeakPolarHBondContact CG2-O 3.18Å; I251-L275 HydrophobicContact CD1-CB 4.46Å; I251-L275 HydrophobicContact CD1-CD2 4.1Å; I251-L275 HydrophobicContact CD1-CG 3.83Å; I251-L275 HydrophobicContact CG1-CD2 4.07Å; I251-L275 HydrophobicContact CG1-CG 4.33Å; I251-M276 HydrophobicContact CD1-CB 4.46Å; I251-M276 HydrophobicContact CG2-CB 3.79Å; I251-M276 HydrophobicContact CG2-CG 4.32Å; I251-A279 HydrophobicContact CD1-CB 4.22Å
252L92.7Very high90.5Very high0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-58.1-42.1170.8176.363.3000111.1N248 P249 Q250 L254 L255 I256 I1159N248-L252 WeakPolarHBondContact O-CB 3.46Å; N248-L252 PolarHBondContact O-N 3.13Å; P249-L252 WeakPolarHBondContact O-CB 3.19Å; P249-L252 PolarHBondContact O-N 3.28Å; Q250-L252 VanDerWaalsContact C-N 3.34Å; L252-L254 VanDerWaalsContact C-N 3.32Å; L252-L254 PolarHBondContact O-N 3.12Å; L252-L255 PolarHBondContact O-N 2.72Å; L252-I256 HydrophobicContact CD1-CD1 4.01Å; L252-I256 HydrophobicContact CD1-CG1 4.17Å; L252-I256 HydrophobicContact CG-CD1 3.97Å; L252-I256 WeakPolarHBondContact O-CG1 3.15Å; L252-I256 PolarHBondContact O-N 3.1Å; L252-I1159 HydrophobicContact CD1-CB 3.83Å; L252-I1159 HydrophobicContact CD1-CD1 4.21Å; L252-I1159 HydrophobicContact CD1-CG2 3.69Å
253S92.6Very high90Very high13 Ų1342.4 Ų42.49%0.09121%0.213CC..Hα-helixtrans-56.8-45.7174.3-160.30000112P249 Q250 I251 A257 Q486P249-S253 PolarHBondContact O-N 3.12Å; Q250-S253 WeakPolarHBondContact O-CB 3.37Å; Q250-S253 PolarHBondContact O-N 3.33Å; I251-S253 VanDerWaalsContact C-N 3.27Å; I251-S253 PolarHBondContact O-N 3.44Å; S253-A257 WeakPolarHBondContact O-CB 3.33Å; S253-A257 PolarHBondContact O-N 3.42Å; S253-A257 VanDerWaalsContact O-N 3.1Å; S253-Q486 WeakPolarHBondContact OG-CG 3.19Å; S253-Q486 PolarHBondContact OG-NE2 3.16Å
254L93Very high89.6Confident76 Ų7640.2 Ų40.240%0.39820%0.201SC..Hα-helixtrans-67.1-36.7178-63.2174000112.5Q250 I251 L252 Y258 Y272Q250-L254 PolarHBondContact O-N 2.9Å; Q250-L254 VanDerWaalsContact O-N 3.16Å; I251-L254 PolarHBondContact O-N 2.98Å; L252-L254 VanDerWaalsContact C-N 3.32Å; L252-L254 PolarHBondContact O-N 3.12Å; L254-Y258 WeakPolarHBondContact O-CB 3.08Å; L254-Y258 PolarHBondContact O-N 3.06Å; L254-Y272 HydrophobicContact CB-CD1 4.25Å; L254-Y272 HydrophobicContact CB-CD2 4.05Å; L254-Y272 HydrophobicContact CB-CE1 4.27Å; L254-Y272 HydrophobicContact CB-CE2 4.07Å; L254-Y272 HydrophobicContact CB-CG 4.16Å; L254-Y272 HydrophobicContact CD1-CD1 4.16Å; L254-Y272 HydrophobicContact CD1-CE1 4.01Å
255L91.2Very high89.4Confident3 Ų341.6 Ų41.62%0.01621%0.212CC..Hα-helixtrans-67.9-42.1177.2-79.7170.9000112.4I251 L252 Y258 V259 Y272 M276 I1143 I1159I251-L255 HydrophobicContact CG2-CD1 4.37Å; I251-L255 PolarHBondContact O-N 3.39Å; L252-L255 PolarHBondContact O-N 2.72Å; L255-Y258 PolarHBondContact O-N 3.19Å; L255-V259 WeakPolarHBondContact O-CG2 3.46Å; L255-V259 PolarHBondContact O-N 3.39Å; L255-V259 VanDerWaalsContact O-N 3.09Å; L255-Y272 HydrophobicContact CD2-CD2 4.37Å; L255-M276 HydrophobicContact CD1-SD 3.87Å; L255-I1143 HydrophobicContact CD2-CD1 4.01Å; L255-I1143 HydrophobicContact CD2-CG1 4.16Å; L255-I1159 HydrophobicContact CD1-CD1 4.22Å
256I89.6Confident89.2Confident0 Ų044.4 Ų44.40%023%0.227CC..Hα-helixtrans-64.2-47.3176.3-65.6169000109.7L252 Y258 V259 E260 P485 Q486 F489 P1152L252-I256 HydrophobicContact CD1-CD1 4.01Å; L252-I256 HydrophobicContact CD1-CG1 4.17Å; L252-I256 HydrophobicContact CG-CD1 3.97Å; L252-I256 WeakPolarHBondContact O-CG1 3.15Å; L252-I256 PolarHBondContact O-N 3.1Å; I256-Y258 VanDerWaalsContact C-N 3.27Å; I256-Y258 PolarHBondContact O-N 3.11Å; I256-V259 PolarHBondContact O-N 3.01Å; I256-E260 PolarHBondContact O-N 2.97Å; I256-P485 HydrophobicContact CG2-CB 4.03Å; I256-Q486 HydrophobicContact CG2-CB 4.06Å; I256-F489 HydrophobicContact CD1-CB 4.02Å; I256-P1152 HydrophobicContact CG2-CB 4.35Å
257A89.6Confident88.9Confident28 Ų2852.1 Ų52.123%0.23126%0.256CS..Hα-helixtrans-59.5-36.2176.700000112.8S253 E260 S261S253-A257 WeakPolarHBondContact O-CB 3.33Å; S253-A257 PolarHBondContact O-N 3.42Å; S253-A257 VanDerWaalsContact O-N 3.1Å; A257-E260 PolarHBondContact O-N 3.24Å; A257-S261 WeakPolarHBondContact O-CB 3.1Å; A257-S261 PolarHBondContact O-N 3.43Å; A257-S261 PolarHBondContact O-OG 3Å
258Y90.3Very high88.8Confident1 Ų151.8 Ų51.80%0.00425%0.25CS..Hα-helixtrans-65.4-39173.8165.9-92.9000113L254 L255 I256 Q264 P265 N268 I1143 R1146L254-Y258 WeakPolarHBondContact O-CB 3.08Å; L254-Y258 PolarHBondContact O-N 3.06Å; L255-Y258 PolarHBondContact O-N 3.19Å; I256-Y258 VanDerWaalsContact C-N 3.27Å; I256-Y258 PolarHBondContact O-N 3.11Å; Y258-Q264 HydrophobicContact CD2-CB 3.71Å; Y258-Q264 HydrophobicContact CE2-CB 3.94Å; Y258-P265 WeakPolarHBondContact CE2-O 3.21Å; Y258-N268 HydrophobicContact CD2-CB 4.01Å; Y258-N268 HydrophobicContact CE2-CB 4.24Å; Y258-I1143 HydrophobicContact CD1-CG1 4.44Å; Y258-I1143 HydrophobicContact CE1-CB 4.3Å; Y258-I1143 HydrophobicContact CE1-CG1 4.14Å; Y258-I1143 HydrophobicContact CE1-CG2 3.87Å; Y258-R1146 VanDerWaalsContact CE2-NH1 3.27Å; Y258-R1146 VanDerWaalsContact CZ-NH1 3.29Å; Y258-R1146 PolarHBondContact OH-NH1 2.91Å
259V87.4Confident88.8Confident9 Ų951 Ų516%0.05525%0.246CC..Hα-helixtrans-71.7-35178.2172.10000111.1L255 I256 R1146 P1152 V1155L255-V259 WeakPolarHBondContact O-CG2 3.46Å; L255-V259 PolarHBondContact O-N 3.39Å; L255-V259 VanDerWaalsContact O-N 3.09Å; I256-V259 PolarHBondContact O-N 3.01Å; V259-R1146 HydrophobicContact CG1-CG 4.4Å; V259-P1152 HydrophobicContact CG1-CB 4.4Å; V259-P1152 HydrophobicContact CG1-CG 4.28Å; V259-V1155 HydrophobicContact CG1-CG2 4.11Å; V259-V1155 HydrophobicContact CG2-CG1 4.22Å; V259-V1155 HydrophobicContact CG2-CG2 4.36Å
260E85.7Confident88.8Confident76 Ų7654.3 Ų54.336%0.35526%0.263SS..Hα-helixtrans-69.1-40.7175.8-169.5169.4-170.300112.3I256 A257 R262 P1152I256-E260 PolarHBondContact O-N 2.97Å; A257-E260 PolarHBondContact O-N 3.24Å; E260-R262 PolarHBondContact O-N 3.09Å; E260-P1152 HydrophobicContact CB-CG 4.33Å
261S85.6Confident88.8Confident39 Ų3957.1 Ų57.127%0.27328%0.275SS..  trans-91.990.6179.256.80000113A257 E263 Q264 R1146A257-S261 WeakPolarHBondContact O-CB 3.1Å; A257-S261 PolarHBondContact O-N 3.43Å; A257-S261 PolarHBondContact O-OG 3Å; S261-E263 PolarHBondContact O-N 3.11Å; S261-Q264 PolarHBondContact O-N 2.67Å; S261-Q264 VanDerWaalsContact O-N 3.14Å; S261-Q264 VanDerWaalsContact OG-CD 3.32Å; S261-Q264 WeakPolarHBondContact OG-CG 3.43Å; S261-Q264 PolarHBondContact OG-NE2 3.21Å; S261-R1146 PolarHBondContact O-NH1 3.29Å
262R78.9Confident88.8Confident168 Ų16858.6 Ų58.663%0.63428%0.28SS*.THydrogen-bonded Turntrans-60.4-18.6179.9-67.5-170.3178.5-170.6-0.2114.9E260 Q264 R1146E260-R262 PolarHBondContact O-N 3.09Å; R262-Q264 VanDerWaalsContact C-N 3.27Å; R262-Q264 PolarHBondContact O-N 3.2Å; R262-R1146 PolarHBondContact O-NH2 3.43Å
263E81.3Confident88.8Confident193 Ų19358.6 Ų58.690%0.90228%0.28SS*.THydrogen-bonded Turntrans-72.4-18.5178.7-60.9-178.3178.700113.4S261S261-E263 PolarHBondContact O-N 3.11Å
264Q84.7Confident88.8Confident54 Ų5459.5 Ų59.525%0.25229%0.291SS..SBendtrans-71.8140.7-177.6-69.2-164.820.100112.2Y258 S261 R262 N268 R1146Y258-Q264 HydrophobicContact CD2-CB 3.71Å; Y258-Q264 HydrophobicContact CE2-CB 3.94Å; S261-Q264 PolarHBondContact O-N 2.67Å; S261-Q264 VanDerWaalsContact O-N 3.14Å; S261-Q264 VanDerWaalsContact OG-CD 3.32Å; S261-Q264 WeakPolarHBondContact OG-CG 3.43Å; S261-Q264 PolarHBondContact OG-NE2 3.21Å; R262-Q264 VanDerWaalsContact C-N 3.27Å; R262-Q264 PolarHBondContact O-N 3.2Å; Q264-N268 PolarHBondContact OE1-ND2 2.8Å; Q264-R1146 PolarHBondContact O-NH1 3.49Å; Q264-R1146 PolarHBondContact O-NH2 3.27Å
265P88.2Confident88.8Confident61 Ų6159.3 Ų59.340%0.39629%0.29SS..  trans-70.1148.4179.130.5-36.8000112Y258 W267 N268Y258-P265 WeakPolarHBondContact CE2-O 3.21Å; P265-W267 HydrophobicContact CG-CG 4.47Å; P265-W267 PolarHBondContact O-N 3.25Å; P265-W267 VanDerWaalsContact O-N 3.07Å; P265-N268 WeakPolarHBondContact O-CB 3.45Å; P265-N268 PolarHBondContact O-N 3.39Å
266L88.4Confident88.8Confident88 Ų8859.2 Ų59.246%0.46129%0.29SS..Hα-helixtrans-53.4-33.9-177-17964.5000113.8N268 G269 L270 I1143L266-N268 PolarHBondContact O-N 3.3Å; L266-G269 PolarHBondContact O-N 3.01Å; L266-L270 HydrophobicContact CD2-CD1 4.4Å; L266-L270 HydrophobicContact CG-CD1 4.07Å; L266-L270 HydrophobicContact CG-CG 4.33Å; L266-L270 PolarHBondContact O-N 3.29Å; L266-L270 VanDerWaalsContact O-N 3.12Å; L266-I1143 HydrophobicContact CD1-CG2 3.63Å
267W87.3Confident89Confident170 Ų17062.1 Ų62.164%0.64430%0.303SS*.Hα-helixtrans-63.4-29.3-178.976.3-100.2000112.7P265 L270 F271P265-W267 HydrophobicContact CG-CG 4.47Å; P265-W267 PolarHBondContact O-N 3.25Å; P265-W267 VanDerWaalsContact O-N 3.07Å; W267-L270 PolarHBondContact O-N 3.27Å; W267-F271 HydrophobicContact CE3-CB 4.31Å; W267-F271 WeakPolarHBondContact O-CB 3.36Å; W267-F271 PolarHBondContact O-N 2.91Å
268N89.6Confident89.2Confident22 Ų2264.4 Ų64.412%0.11831%0.313CS..Hα-helixtrans-61.2-50.8175.5-74.25.3000110.3Y258 Q264 P265 L266 F271 Y272Y258-N268 HydrophobicContact CD2-CB 4.01Å; Y258-N268 HydrophobicContact CE2-CB 4.24Å; Q264-N268 PolarHBondContact OE1-ND2 2.8Å; P265-N268 WeakPolarHBondContact O-CB 3.45Å; P265-N268 PolarHBondContact O-N 3.39Å; L266-N268 PolarHBondContact O-N 3.3Å; N268-F271 WeakPolarHBondContact O-CB 3.49Å; N268-F271 PolarHBondContact O-N 3.14Å; N268-Y272 HydrophobicContact CB-CE2 4.09Å; N268-Y272 WeakPolarHBondContact O-CD2 3.42Å; N268-Y272 PolarHBondContact O-N 2.97Å
269G90.6Very high89.3Confident0 Ų064.6 Ų64.60%032%0.316CS..Hα-helixtrans-59-50.1177.700000111.4L266 F271 Y272 A273 I1143L266-G269 PolarHBondContact O-N 3.01Å; G269-F271 VanDerWaalsContact C-N 3.29Å; G269-F271 PolarHBondContact O-N 2.75Å; G269-Y272 PolarHBondContact O-N 2.93Å; G269-A273 PolarHBondContact O-N 3.4Å; G269-I1143 WeakPolarHBondContact O-CD1 3.42Å
270L91.7Very high89.5Confident75 Ų7564.3 Ų64.339%0.39331%0.314SS..Hα-helixtrans-59.3-39.3178.1-67.5175.9000112.4L266 W267 G274 L1140L266-L270 HydrophobicContact CD2-CD1 4.4Å; L266-L270 HydrophobicContact CG-CD1 4.07Å; L266-L270 HydrophobicContact CG-CG 4.33Å; L266-L270 PolarHBondContact O-N 3.29Å; L266-L270 VanDerWaalsContact O-N 3.12Å; W267-L270 PolarHBondContact O-N 3.27Å; L270-G274 PolarHBondContact O-N 3.14Å; L270-L1140 HydrophobicContact CD2-CD2 3.74Å
271F92.8Very high89.8Confident115 Ų11562.2 Ų62.250%0.50431%0.306SS..Hα-helixtrans-63.2-45.8175.5176-102.6000111.5W267 N268 G269 G274 L275W267-F271 HydrophobicContact CE3-CB 4.31Å; W267-F271 WeakPolarHBondContact O-CB 3.36Å; W267-F271 PolarHBondContact O-N 2.91Å; N268-F271 WeakPolarHBondContact O-CB 3.49Å; N268-F271 PolarHBondContact O-N 3.14Å; G269-F271 VanDerWaalsContact C-N 3.29Å; G269-F271 PolarHBondContact O-N 2.75Å; F271-G274 PolarHBondContact O-N 2.82Å; F271-L275 HydrophobicContact CE1-CD2 4.32Å; F271-L275 VanDerWaalsContact O-CB 3.27Å; F271-L275 WeakPolarHBondContact O-CB 3.44Å; F271-L275 PolarHBondContact O-N 3.37Å
272Y93.7Very high90.2Very high39 Ų3963.5 Ų63.515%0.15331%0.309CS..Hα-helixtrans-64.4-42.2177.4-57.8-33.7000112.5I251 L254 L255 N268 G269 L275 M276I251-Y272 VanDerWaalsContact CG2-O 3.28Å; I251-Y272 WeakPolarHBondContact CG2-O 3.18Å; L254-Y272 HydrophobicContact CB-CD1 4.25Å; L254-Y272 HydrophobicContact CB-CD2 4.05Å; L254-Y272 HydrophobicContact CB-CE1 4.27Å; L254-Y272 HydrophobicContact CB-CE2 4.07Å; L254-Y272 HydrophobicContact CB-CG 4.16Å; L254-Y272 HydrophobicContact CD1-CD1 4.16Å; L254-Y272 HydrophobicContact CD1-CE1 4.01Å; L255-Y272 HydrophobicContact CD2-CD2 4.37Å; N268-Y272 HydrophobicContact CB-CE2 4.09Å; N268-Y272 WeakPolarHBondContact O-CD2 3.42Å; N268-Y272 PolarHBondContact O-N 2.97Å; G269-Y272 PolarHBondContact O-N 2.93Å; Y272-L275 PolarHBondContact O-N 2.93Å; Y272-M276 WeakPolarHBondContact O-CB 3.45Å; Y272-M276 PolarHBondContact O-N 2.83Å
273A92.2Very high90.9Very high0 Ų057.4 Ų57.40%029%0.288CS..Hα-helixtrans-61.3-44.8173.800000112.3G269 M276 F277 L1136 S1139 L1140 I1143G269-A273 PolarHBondContact O-N 3.4Å; A273-M276 PolarHBondContact O-N 2.81Å; A273-F277 PolarHBondContact O-N 2.82Å; A273-L1136 HydrophobicContact CB-CD1 4.36Å; A273-S1139 VanDerWaalsContact CB-OG 3.27Å; A273-S1139 WeakPolarHBondContact CB-OG 3.44Å; A273-L1140 HydrophobicContact CB-CD2 4.27Å; A273-I1143 HydrophobicContact CB-CD1 3.53Å
274G92.5Very high91.4Very high32 Ų3248.3 Ų48.333%0.3325%0.245SC..Hα-helixtrans-61.7-43.9174.800000112.4L270 F271 M276 F277 V278L270-G274 PolarHBondContact O-N 3.14Å; F271-G274 PolarHBondContact O-N 2.82Å; G274-M276 PolarHBondContact O-N 2.73Å; G274-F277 PolarHBondContact O-N 2.65Å; G274-V278 WeakPolarHBondContact O-CG2 3.02Å; G274-V278 PolarHBondContact O-N 2.84Å
275L93.3Very high91.8Very high72 Ų7247 Ų4738%0.37724%0.24SC..Hα-helixtrans-62.2-42.7177-174.864.6000111.5I251 F271 Y272 F277 V278 A279I251-L275 HydrophobicContact CD1-CB 4.46Å; I251-L275 HydrophobicContact CD1-CD2 4.1Å; I251-L275 HydrophobicContact CD1-CG 3.83Å; I251-L275 HydrophobicContact CG1-CD2 4.07Å; I251-L275 HydrophobicContact CG1-CG 4.33Å; F271-L275 HydrophobicContact CE1-CD2 4.32Å; F271-L275 VanDerWaalsContact O-CB 3.27Å; F271-L275 WeakPolarHBondContact O-CB 3.44Å; F271-L275 PolarHBondContact O-N 3.37Å; Y272-L275 PolarHBondContact O-N 2.93Å; L275-F277 VanDerWaalsContact C-N 3.35Å; L275-F277 PolarHBondContact O-N 3.42Å; L275-V278 PolarHBondContact O-N 3.09Å; L275-A279 VanDerWaalsContact O-CB 3.24Å; L275-A279 WeakPolarHBondContact O-CB 3.41Å; L275-A279 PolarHBondContact O-N 3.4Å
276M92.1Very high92.2Very high1 Ų146.4 Ų46.41%0.00523%0.231CC..Hα-helixtrans-61.2-43.1175.9-165.9173.2-174.900111.8I251 L255 Y272 A273 G274 S280 V1135 I1159 L1163I251-M276 HydrophobicContact CD1-CB 4.46Å; I251-M276 HydrophobicContact CG2-CB 3.79Å; I251-M276 HydrophobicContact CG2-CG 4.32Å; L255-M276 HydrophobicContact CD1-SD 3.87Å; Y272-M276 WeakPolarHBondContact O-CB 3.45Å; Y272-M276 PolarHBondContact O-N 2.83Å; A273-M276 PolarHBondContact O-N 2.81Å; G274-M276 PolarHBondContact O-N 2.73Å; M276-S280 VanDerWaalsContact O-CB 3.3Å; M276-S280 WeakPolarHBondContact O-CB 3.5Å; M276-S280 PolarHBondContact O-N 3.11Å; M276-S280 PolarHBondContact O-OG 3.41Å; M276-V1135 HydrophobicContact CE-CG1 3.7Å; M276-V1135 HydrophobicContact CG-CG1 4.34Å; M276-V1135 HydrophobicContact SD-CG1 4.01Å; M276-I1159 HydrophobicContact CE-CG2 3.67Å; M276-I1159 HydrophobicContact SD-CG2 4.25Å; M276-L1163 HydrophobicContact CE-CD1 3.78Å; M276-L1163 HydrophobicContact CE-CD2 3.53Å; M276-L1163 HydrophobicContact CE-CG 3.78Å
277F93.6Very high92.3Very high62 Ų6243.7 Ų43.727%0.27222%0.218SC..Hα-helixtrans-65-48.5176.7177.9-104.4000111.9A273 G274 L275 A279 S280 V281 N1132 V1133 L1136A273-F277 PolarHBondContact O-N 2.82Å; G274-F277 PolarHBondContact O-N 2.65Å; L275-F277 VanDerWaalsContact C-N 3.35Å; L275-F277 PolarHBondContact O-N 3.42Å; F277-A279 PolarHBondContact O-N 2.92Å; F277-S280 PolarHBondContact O-N 3.32Å; F277-V281 HydrophobicContact CD1-CG2 4.38Å; F277-V281 HydrophobicContact CD2-CG2 4.29Å; F277-V281 HydrophobicContact CE1-CG2 4Å; F277-V281 HydrophobicContact CE2-CG2 3.91Å; F277-V281 HydrophobicContact CZ-CG2 3.76Å; F277-V281 WeakPolarHBondContact O-CG2 3.09Å; F277-V281 PolarHBondContact O-N 2.77Å; F277-N1132 HydrophobicContact CD2-CB 4.13Å; F277-N1132 WeakPolarHBondContact CD2-O 3.36Å; F277-N1132 HydrophobicContact CE2-CB 4.02Å; F277-V1133 HydrophobicContact CE2-CG2 4.18Å; F277-L1136 HydrophobicContact CB-CB 4.37Å; F277-L1136 HydrophobicContact CB-CD1 4.11Å; F277-L1136 HydrophobicContact CD2-CB 3.86Å; F277-L1136 HydrophobicContact CD2-CD2 3.97Å; F277-L1136 HydrophobicContact CD2-CG 4.43Å; F277-L1136 HydrophobicContact CE2-CD2 4.28Å; F277-L1136 HydrophobicContact CG-CB 4.36Å; F277-L1136 HydrophobicContact CG-CD2 4.08Å
278V92.5Very high92.6Very high75 Ų7535.6 Ų35.646%0.45519%0.188SC..Hα-helixtrans-61.8-45.4178.6171.90000111G274 L275 S280 V281 L282G274-V278 WeakPolarHBondContact O-CG2 3.02Å; G274-V278 PolarHBondContact O-N 2.84Å; L275-V278 PolarHBondContact O-N 3.09Å; V278-S280 VanDerWaalsContact C-N 3.31Å; V278-S280 PolarHBondContact O-N 3.32Å; V278-V281 PolarHBondContact O-N 3.13Å; V278-L282 HydrophobicContact CG1-CD1 3.88Å; V278-L282 HydrophobicContact CG1-CG 4.3Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 WeakPolarHBondContact O-CG 3.29Å; V278-L282 PolarHBondContact O-N 2.84Å
279A93.5Very high92.8Very high6 Ų636.2 Ų36.25%0.0519%0.191CC..Hα-helixtrans-59-43.8176.600000111.5L244 A247 I251 L275 F277 F283L244-A279 HydrophobicContact CD2-CB 4.42Å; A247-A279 HydrophobicContact CB-CB 4.45Å; I251-A279 HydrophobicContact CD1-CB 4.22Å; L275-A279 VanDerWaalsContact O-CB 3.24Å; L275-A279 WeakPolarHBondContact O-CB 3.41Å; L275-A279 PolarHBondContact O-N 3.4Å; F277-A279 PolarHBondContact O-N 2.92Å; A279-F283 VanDerWaalsContact O-CB 3.25Å; A279-F283 WeakPolarHBondContact O-CB 3.43Å; A279-F283 PolarHBondContact O-N 2.96Å
280S92Very high93Very high3 Ų336.6 Ų36.62%0.02119%0.193CC..Hα-helixtrans-67.5-39.2178.6-59.20000112.9N248 M276 F277 V278 F283 T284 N1132N248-S280 PolarHBondContact ND2-OG 2.9Å; N248-S280 PolarHBondContact OD1-OG 3.04Å; M276-S280 VanDerWaalsContact O-CB 3.3Å; M276-S280 WeakPolarHBondContact O-CB 3.5Å; M276-S280 PolarHBondContact O-N 3.11Å; M276-S280 PolarHBondContact O-OG 3.41Å; F277-S280 PolarHBondContact O-N 3.32Å; V278-S280 VanDerWaalsContact C-N 3.31Å; V278-S280 PolarHBondContact O-N 3.32Å; S280-F283 WeakPolarHBondContact O-CB 3.36Å; S280-F283 PolarHBondContact O-N 3.15Å; S280-T284 PolarHBondContact O-N 2.96Å; S280-T284 PolarHBondContact O-OG1 2.9Å; S280-N1132 VanDerWaalsContact C-ND2 3.32Å; S280-N1132 WeakPolarHBondContact CB-OD1 3.28Å; S280-N1132 PolarHBondContact O-ND2 2.91Å
281V92.3Very high93.1Very high31 Ų3135.4 Ų35.419%0.18818%0.184CC..Hα-helixtrans-68.2-44.3176.1170.60000111.4F277 V278 F283 T284 I285 N1132F277-V281 HydrophobicContact CD1-CG2 4.38Å; F277-V281 HydrophobicContact CD2-CG2 4.29Å; F277-V281 HydrophobicContact CE1-CG2 4Å; F277-V281 HydrophobicContact CE2-CG2 3.91Å; F277-V281 HydrophobicContact CZ-CG2 3.76Å; F277-V281 WeakPolarHBondContact O-CG2 3.09Å; F277-V281 PolarHBondContact O-N 2.77Å; V278-V281 PolarHBondContact O-N 3.13Å; V281-F283 VanDerWaalsContact C-N 3.34Å; V281-T284 WeakPolarHBondContact O-CB 3.47Å; V281-T284 PolarHBondContact O-N 3.29Å; V281-I285 HydrophobicContact CG1-CD1 3.91Å; V281-I285 WeakPolarHBondContact O-CG1 3.45Å; V281-I285 PolarHBondContact O-N 3.17Å; V281-N1132 HydrophobicContact CG2-CB 4.29Å; V281-N1132 PolarHBondContact N-ND2 2.95Å
282L92.8Very high93.1Very high66 Ų6630.4 Ų30.435%0.34616%0.163SC..Hα-helixtrans-63.4-41.7175.5-70.8176.1000111L244 V278 T284 I285 F286L244-L282 HydrophobicContact CD1-CB 3.64Å; L244-L282 HydrophobicContact CD2-CB 4.36Å; V278-L282 HydrophobicContact CG1-CD1 3.88Å; V278-L282 HydrophobicContact CG1-CG 4.3Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 WeakPolarHBondContact O-CG 3.29Å; V278-L282 PolarHBondContact O-N 2.84Å; L282-T284 VanDerWaalsContact C-N 3.35Å; L282-T284 PolarHBondContact O-N 2.82Å; L282-I285 PolarHBondContact O-N 2.85Å; L282-F286 HydrophobicContact CB-CD2 4.23Å; L282-F286 HydrophobicContact CB-CE2 4.21Å; L282-F286 HydrophobicContact CD2-CE2 4.29Å; L282-F286 WeakPolarHBondContact O-CD2 3.42Å; L282-F286 PolarHBondContact O-N 3Å
283F93.8Very high93.2Very high41 Ų4130.6 Ų30.618%0.1817%0.165CC..Hα-helixtrans-55-49.9174168-108000111.6A241 L244 Q245 A279 S280 V281 I285 F286 T287A241-F283 HydrophobicContact CB-CD2 4.03Å; A241-F283 HydrophobicContact CB-CE2 4.28Å; A241-F283 WeakPolarHBondContact O-CD2 3.3Å; L244-F283 HydrophobicContact CB-CB 3.98Å; Q245-F283 HydrophobicContact CB-CD2 3.88Å; Q245-F283 HydrophobicContact CB-CE2 3.66Å; Q245-F283 HydrophobicContact CB-CZ 4.3Å; Q245-F283 HydrophobicContact CG-CE2 4.02Å; Q245-F283 HydrophobicContact CG-CZ 4.16Å; A279-F283 VanDerWaalsContact O-CB 3.25Å; A279-F283 WeakPolarHBondContact O-CB 3.43Å; A279-F283 PolarHBondContact O-N 2.96Å; S280-F283 WeakPolarHBondContact O-CB 3.36Å; S280-F283 PolarHBondContact O-N 3.15Å; V281-F283 VanDerWaalsContact C-N 3.34Å; F283-I285 VanDerWaalsContact C-N 3.34Å; F283-I285 PolarHBondContact O-N 2.95Å; F283-F286 PolarHBondContact O-N 3.19Å; F283-T287 WeakPolarHBondContact CE2-OG1 3.43Å; F283-T287 VanDerWaalsContact O-CB 3.27Å; F283-T287 WeakPolarHBondContact O-CB 3.18Å; F283-T287 PolarHBondContact O-N 2.9Å; F283-T287 PolarHBondContact O-OG1 3.24Å
284T92.3Very high93.3Very high2 Ų230.6 Ų30.61%0.01217%0.165CC..Hα-helixtrans-56-47.9174.8-73.90000111.4S280 V281 L282 N288 V1125 E1128S280-T284 PolarHBondContact O-N 2.96Å; S280-T284 PolarHBondContact O-OG1 2.9Å; V281-T284 WeakPolarHBondContact O-CB 3.47Å; V281-T284 PolarHBondContact O-N 3.29Å; L282-T284 VanDerWaalsContact C-N 3.35Å; L282-T284 PolarHBondContact O-N 2.82Å; T284-N288 WeakPolarHBondContact O-CB 3.37Å; T284-N288 PolarHBondContact O-N 2.99Å; T284-N288 VanDerWaalsContact O-N 3.09Å; T284-N288 PolarHBondContact O-ND2 3.44Å; T284-V1125 HydrophobicContact CG2-CG1 4.49Å; T284-V1125 HydrophobicContact CG2-CG2 4.4Å; T284-E1128 WeakPolarHBondContact CA-OE2 3.36Å; T284-E1128 WeakPolarHBondContact CB-OE2 3.44Å; T284-E1128 HydrophobicContact CG2-CB 3.7Å; T284-E1128 WeakPolarHBondContact CG2-OE2 3.23Å; T284-E1128 WeakPolarHBondContact OG1-CB 3.16Å; T284-E1128 PolarHBondContact OG1-OE2 3.18Å
285I93.1Very high93.4Very high25 Ų2529.5 Ų29.513%0.12815%0.152CC..Hα-helixtrans-61.7-54.8-179.7-74.2168.2000111.2V132 L133 V281 L282 F283 T287 N288 L289V132-I285 HydrophobicContact CG1-CB 4.34Å; V132-I285 HydrophobicContact CG1-CD1 4.28Å; V132-I285 HydrophobicContact CG1-CG1 4.18Å; V132-I285 HydrophobicContact CG1-CG2 3.3Å; L133-I285 HydrophobicContact CD2-CD1 4.05Å; L133-I285 HydrophobicContact CD2-CG1 4.1Å; V281-I285 HydrophobicContact CG1-CD1 3.91Å; V281-I285 WeakPolarHBondContact O-CG1 3.45Å; V281-I285 PolarHBondContact O-N 3.17Å; L282-I285 PolarHBondContact O-N 2.85Å; F283-I285 VanDerWaalsContact C-N 3.34Å; F283-I285 PolarHBondContact O-N 2.95Å; I285-T287 VanDerWaalsContact C-N 3.33Å; I285-T287 PolarHBondContact O-N 3.35Å; I285-N288 PolarHBondContact O-N 3.11Å; I285-L289 HydrophobicContact CG2-CD1 3.73Å; I285-L289 HydrophobicContact CG2-CG 4.25Å; I285-L289 WeakPolarHBondContact O-CB 3.49Å; I285-L289 VanDerWaalsContact O-CG 3.31Å; I285-L289 WeakPolarHBondContact O-CG 3.35Å; I285-L289 PolarHBondContact O-N 3.22Å
286F94.9Very high93.4Very high49 Ų4927 Ų2722%0.21514%0.138CC..Hα-helixtrans-63.5-39.3-176.2-77.5-65.6000112.2L237 L240 A241 L244 L282 F283 L289 N290L237-F286 HydrophobicContact CD2-CD1 3.77Å; L237-F286 HydrophobicContact CD2-CE1 4.04Å; L240-F286 HydrophobicContact CD1-CE1 4.14Å; L240-F286 HydrophobicContact CD1-CZ 4.5Å; A241-F286 HydrophobicContact CB-CB 3.84Å; L244-F286 HydrophobicContact CD1-CD2 3.51Å; L244-F286 HydrophobicContact CD1-CE2 3.92Å; L282-F286 HydrophobicContact CB-CD2 4.23Å; L282-F286 HydrophobicContact CB-CE2 4.21Å; L282-F286 HydrophobicContact CD2-CE2 4.29Å; L282-F286 WeakPolarHBondContact O-CD2 3.42Å; L282-F286 PolarHBondContact O-N 3Å; F283-F286 PolarHBondContact O-N 3.19Å; F286-L289 PolarHBondContact O-N 2.8Å; F286-N290 VanDerWaalsContact O-CB 3.29Å; F286-N290 WeakPolarHBondContact O-CB 3.08Å; F286-N290 PolarHBondContact O-N 2.81Å
287T92.3Very high93.6Very high32 Ų3227.2 Ų27.220%0.19614%0.14CC..Hα-helixtrans-62.3-44.7176.3-58.20000111.2A241 F283 I285 F291A241-T287 WeakPolarHBondContact CB-OG1 3.15Å; F283-T287 WeakPolarHBondContact CE2-OG1 3.43Å; F283-T287 VanDerWaalsContact O-CB 3.27Å; F283-T287 WeakPolarHBondContact O-CB 3.18Å; F283-T287 PolarHBondContact O-N 2.9Å; F283-T287 PolarHBondContact O-OG1 3.24Å; I285-T287 VanDerWaalsContact C-N 3.33Å; I285-T287 PolarHBondContact O-N 3.35Å; T287-F291 PolarHBondContact O-N 3.3Å; T287-F291 VanDerWaalsContact O-N 3.12Å
288N93Very high93.7Very high0 Ų024.4 Ų24.40%013%0.128CC..Hα-helixtrans-72.1-35.3179.8-78.7-73.3000113F134 T284 I285 N292 R1121 A1124 V1125F134-N288 HydrophobicContact CE2-CB 4Å; T284-N288 WeakPolarHBondContact O-CB 3.37Å; T284-N288 PolarHBondContact O-N 2.99Å; T284-N288 VanDerWaalsContact O-N 3.09Å; T284-N288 PolarHBondContact O-ND2 3.44Å; I285-N288 PolarHBondContact O-N 3.11Å; N288-N292 VanDerWaalsContact O-CB 3.28Å; N288-N292 WeakPolarHBondContact O-CB 3.16Å; N288-N292 PolarHBondContact O-N 2.86Å; N288-R1121 WeakPolarHBondContact OD1-CD 3.24Å; N288-R1121 PolarHBondContact OD1-NH1 3.45Å; N288-A1124 WeakPolarHBondContact OD1-CB 3.36Å; N288-V1125 HydrophobicContact CB-CG2 3.78Å
289L93.8Very high93.8Very high35 Ų3521 Ų2118%0.18311%0.107CC..Hα-helixtrans-65.5-45.5173.2-74.6178.1000112.1V132 L237 I285 F286 N292 H293V132-L289 HydrophobicContact CG1-CD1 4.22Å; V132-L289 HydrophobicContact CG2-CD1 4.42Å; V132-L289 HydrophobicContact CG2-CD2 4.48Å; L237-L289 HydrophobicContact CD1-CB 4.21Å; I285-L289 HydrophobicContact CG2-CD1 3.73Å; I285-L289 HydrophobicContact CG2-CG 4.25Å; I285-L289 WeakPolarHBondContact O-CB 3.49Å; I285-L289 VanDerWaalsContact O-CG 3.31Å; I285-L289 WeakPolarHBondContact O-CG 3.35Å; I285-L289 PolarHBondContact O-N 3.22Å; F286-L289 PolarHBondContact O-N 2.8Å; L289-N292 PolarHBondContact O-N 3.46Å; L289-H293 VanDerWaalsContact O-CB 3.27Å; L289-H293 WeakPolarHBondContact O-CB 3.4Å; L289-H293 PolarHBondContact O-N 3.33Å
290N94.6Very high93.9Very high7 Ų722.8 Ų22.84%0.03711%0.114CC..Hα-helixtrans-54.8-55.4175.4164.3-102.7000110.6G234 L237 K238 F286 N292 H293 M294G234-N290 VanDerWaalsContact C-ND2 3.31Å; G234-N290 PolarHBondContact O-ND2 2.87Å; L237-N290 HydrophobicContact CB-CB 3.94Å; K238-N290 HydrophobicContact CB-CB 4.47Å; F286-N290 VanDerWaalsContact O-CB 3.29Å; F286-N290 WeakPolarHBondContact O-CB 3.08Å; F286-N290 PolarHBondContact O-N 2.81Å; N290-N292 PolarHBondContact O-N 3.16Å; N290-H293 PolarHBondContact O-N 3.07Å; N290-M294 WeakPolarHBondContact O-CB 3.31Å; N290-M294 WeakPolarHBondContact O-CG 2.69Å; N290-M294 PolarHBondContact O-N 3.15Å
291F93.8Very high94Very high50 Ų5022.6 Ų22.622%0.21911%0.113CC..Hα-helixtrans-60.9-47.1-176.5-172.2-91.9000111.6T287 H293 M294 V295 A345 R1121T287-F291 PolarHBondContact O-N 3.3Å; T287-F291 VanDerWaalsContact O-N 3.12Å; F291-H293 PolarHBondContact O-N 2.85Å; F291-M294 PolarHBondContact O-N 3.18Å; F291-V295 HydrophobicContact CD1-CG2 3.99Å; F291-V295 HydrophobicContact CE1-CG2 3.63Å; F291-V295 HydrophobicContact CZ-CG2 3.94Å; F291-V295 WeakPolarHBondContact O-CG2 3.45Å; F291-V295 PolarHBondContact O-N 2.63Å; F291-A345 HydrophobicContact CE2-CB 4.02Å; F291-A345 HydrophobicContact CZ-CB 4.33Å; F291-R1121 VanDerWaalsContact CD1-CZ 3.45Å
292N93.3Very high94.2Very high11 Ų1121.7 Ų21.76%0.05911%0.106CC..Hα-helixtrans-57.7-47.7177.5-178.238.6000112.2F134 N288 L289 N290 M294 V295 K296 I1118 R1121F134-N292 HydrophobicContact CE1-CB 4.02Å; F134-N292 WeakPolarHBondContact CE1-ND2 3.43Å; F134-N292 HydrophobicContact CZ-CB 3.78Å; N288-N292 VanDerWaalsContact O-CB 3.28Å; N288-N292 WeakPolarHBondContact O-CB 3.16Å; N288-N292 PolarHBondContact O-N 2.86Å; L289-N292 PolarHBondContact O-N 3.46Å; N290-N292 PolarHBondContact O-N 3.16Å; N292-M294 VanDerWaalsContact C-N 3.35Å; N292-M294 PolarHBondContact O-N 2.99Å; N292-V295 PolarHBondContact O-N 3.45Å; N292-K296 PolarHBondContact ND2-NZ 3.36Å; N292-K296 VanDerWaalsContact O-CG 3.32Å; N292-K296 WeakPolarHBondContact O-CG 3.35Å; N292-K296 PolarHBondContact O-N 3.44Å; N292-K296 VanDerWaalsContact O-N 3.07Å; N292-K296 WeakPolarHBondContact OD1-CE 3.31Å; N292-I1118 VanDerWaalsContact OD1-CD1 3.25Å; N292-I1118 WeakPolarHBondContact OD1-CD1 3.38Å; N292-R1121 HydrophobicContact CB-CG 4.28Å
293H94.6Very high94.3Very high43 Ų4318.7 Ų18.720%0.1999%0.09CC..Hα-helixtrans-63.1-42.1-179.8-178.668000111.8S230 Y233 L289 N290 F291 K296 V297S230-H293 PolarHBondContact O-CD2 3.15Å; S230-H293 PolarHBondContact O-NE2 3.09Å; Y233-H293 AromaticContact CD1-CD2 3.63Å; Y233-H293 AromaticContact CD1-CE1 3.84Å; Y233-H293 AromaticContact CD1-NE2 3.52Å; L289-H293 VanDerWaalsContact O-CB 3.27Å; L289-H293 WeakPolarHBondContact O-CB 3.4Å; L289-H293 PolarHBondContact O-N 3.33Å; N290-H293 PolarHBondContact O-N 3.07Å; F291-H293 PolarHBondContact O-N 2.85Å; H293-K296 WeakPolarHBondContact O-CB 3.44Å; H293-K296 PolarHBondContact O-N 3.31Å; H293-V297 WeakPolarHBondContact O-CG2 3.39Å; H293-V297 PolarHBondContact O-N 3.13Å; H293-V297 VanDerWaalsContact O-N 3.16Å
294M95.5Very high94.4Very high0 Ų016.7 Ų16.70%08%0.081CC..Hα-helixtrans-67.8-38.5178.6-72.3-65.18800113.2S230 N290 F291 N292 V297 G298 Y344S230-M294 VanDerWaalsContact O-CE 3.31Å; S230-M294 WeakPolarHBondContact O-CE 3.3Å; N290-M294 WeakPolarHBondContact O-CB 3.31Å; N290-M294 WeakPolarHBondContact O-CG 2.69Å; N290-M294 PolarHBondContact O-N 3.15Å; F291-M294 PolarHBondContact O-N 3.18Å; N292-M294 VanDerWaalsContact C-N 3.35Å; N292-M294 PolarHBondContact O-N 2.99Å; M294-V297 HydrophobicContact CE-CG2 4.21Å; M294-V297 PolarHBondContact O-N 3.04Å; M294-G298 PolarHBondContact O-N 3.02Å; M294-Y344 WeakPolarHBondContact CB-O 3.49Å
295V94.5Very high94.6Very high8 Ų816.6 Ų16.65%0.0488%0.081CC..Hα-helixtrans-64.9-40.1174.1174.80000111.4F291 N292 V297 G298 M299 A345 Y1113 V1117F291-V295 HydrophobicContact CD1-CG2 3.99Å; F291-V295 HydrophobicContact CE1-CG2 3.63Å; F291-V295 HydrophobicContact CZ-CG2 3.94Å; F291-V295 WeakPolarHBondContact O-CG2 3.45Å; F291-V295 PolarHBondContact O-N 2.63Å; N292-V295 PolarHBondContact O-N 3.45Å; V295-V297 VanDerWaalsContact C-N 3.28Å; V295-V297 PolarHBondContact O-N 3.34Å; V295-G298 CarbonylContact O-C 3.57Å; V295-G298 WeakPolarHBondContact O-CA 3.43Å; V295-G298 PolarHBondContact O-N 3.14Å; V295-M299 PolarHBondContact O-N 3.38Å; V295-A345 HydrophobicContact CG2-CB 3.74Å; V295-Y1113 HydrophobicContact CG1-CE1 4.28Å; V295-V1117 HydrophobicContact CB-CG1 4.15Å; V295-V1117 HydrophobicContact CG1-CB 4.36Å; V295-V1117 HydrophobicContact CG1-CG1 3.74Å; V295-V1117 HydrophobicContact CG1-CG2 3.84Å; V295-V1117 HydrophobicContact CG2-CG1 4.39Å
296K93.8Very high94.7Very high21 Ų2115.7 Ų15.79%0.0918%0.076CC..Hα-helixtrans-60-36.7174.7-74.7164.8168.6-174.80112.6E123 Y161 N292 H293 K300 Y1114E123-K296 IonicContact OE1-NZ 2.65Å; E123-K296 PolarHBondContact OE1-NZ 3.1Å; E123-K296 IonicContact OE2-NZ 3.97Å; Y161-K296 HydrophobicContact CE1-CB 4.05Å; Y161-K296 HydrophobicContact CE1-CG 4.33Å; Y161-K296 VanDerWaalsContact OH-CD 3.26Å; Y161-K296 WeakPolarHBondContact OH-CD 3.42Å; N292-K296 PolarHBondContact ND2-NZ 3.36Å; N292-K296 VanDerWaalsContact O-CG 3.32Å; N292-K296 WeakPolarHBondContact O-CG 3.35Å; N292-K296 PolarHBondContact O-N 3.44Å; N292-K296 VanDerWaalsContact O-N 3.07Å; N292-K296 WeakPolarHBondContact OD1-CE 3.31Å; H293-K296 WeakPolarHBondContact O-CB 3.44Å; H293-K296 PolarHBondContact O-N 3.31Å; K296-K300 PolarHBondContact O-N 3.37Å; K296-Y1114 HydrophobicContact CD-CE2 4.42Å; K296-Y1114 VanDerWaalsContact CE-CE2 3.46Å; K296-Y1114 WeakPolarHBondContact CE-OH 3.44Å; K296-Y1114 HydrophobicContact CG-CE2 4.07Å; K296-Y1114 PolarHBondContact NZ-OH 3.38Å
297V95.2Very high94.7Very high5 Ų513.5 Ų13.53%0.037%0.067CC..Hα-helixtrans-67.1-43.3171.9178.30000110.6W227 V231 H293 M294 V295 M299 K300 V301 Y344W227-V297 HydrophobicContact CB-CG1 4.04Å; W227-V297 HydrophobicContact CG-CG1 4.34Å; V231-V297 HydrophobicContact CG2-CG1 4.45Å; H293-V297 WeakPolarHBondContact O-CG2 3.39Å; H293-V297 PolarHBondContact O-N 3.13Å; H293-V297 VanDerWaalsContact O-N 3.16Å; M294-V297 HydrophobicContact CE-CG2 4.21Å; M294-V297 PolarHBondContact O-N 3.04Å; V295-V297 VanDerWaalsContact C-N 3.28Å; V295-V297 PolarHBondContact O-N 3.34Å; V297-M299 VanDerWaalsContact C-N 3.31Å; V297-M299 PolarHBondContact O-N 2.98Å; V297-K300 WeakPolarHBondContact O-CB 3.23Å; V297-K300 PolarHBondContact O-N 3.21Å; V297-K300 VanDerWaalsContact O-N 3.16Å; V297-V301 WeakPolarHBondContact O-CG2 3.2Å; V297-V301 PolarHBondContact O-N 3.3Å; V297-V301 VanDerWaalsContact O-N 3.11Å; V297-Y344 HydrophobicContact CB-CD1 4.29Å; V297-Y344 HydrophobicContact CG1-CD1 3.55Å; V297-Y344 HydrophobicContact CG1-CE1 3.75Å; V297-Y344 HydrophobicContact CG1-CG 4.4Å
298G95.4Very high94.9Very high3 Ų312.4 Ų12.43%0.0316%0.061CC..Hα-helixtrans-57-39.2174.700000113.6M294 V295 K300 V301 R302 A341M294-G298 PolarHBondContact O-N 3.02Å; V295-G298 CarbonylContact O-C 3.57Å; V295-G298 WeakPolarHBondContact O-CA 3.43Å; V295-G298 PolarHBondContact O-N 3.14Å; G298-K300 PolarHBondContact O-N 3.16Å; G298-V301 WeakPolarHBondContact O-CB 3.11Å; G298-V301 PolarHBondContact O-N 2.92Å; G298-R302 PolarHBondContact O-N 2.96Å; G298-A341 WeakPolarHBondContact O-CB 3.2Å
299M94.6Very high94.9Very high3 Ų312.4 Ų12.42%0.0156%0.061CC..Hα-helixtrans-60.6-42.1174.9-72.2173.868.400112.8L157 V295 V297 R302 T303 Q1110 Y1113 Y1114L157-M299 HydrophobicContact CD1-CE 4.26Å; V295-M299 PolarHBondContact O-N 3.38Å; V297-M299 VanDerWaalsContact C-N 3.31Å; V297-M299 PolarHBondContact O-N 2.98Å; M299-R302 PolarHBondContact O-N 3Å; M299-T303 WeakPolarHBondContact O-CB 3.21Å; M299-T303 PolarHBondContact O-N 3.31Å; M299-T303 PolarHBondContact O-OG1 2.81Å; M299-Q1110 HydrophobicContact CE-CB 4.15Å; M299-Q1110 VanDerWaalsContact CE-OE1 3.28Å; M299-Y1113 HydrophobicContact CE-CD1 4.23Å; M299-Y1113 HydrophobicContact CG-CD1 3.88Å; M299-Y1113 HydrophobicContact CG-CE1 3.53Å; M299-Y1113 HydrophobicContact SD-CD1 4.05Å; M299-Y1113 HydrophobicContact SD-CE1 4.06Å; M299-Y1114 HydrophobicContact CE-CD2 4.16Å; M299-Y1114 HydrophobicContact CE-CG 4.23Å; M299-Y1114 HydrophobicContact SD-CD2 3.79Å; M299-Y1114 HydrophobicContact SD-CG 4.43Å
300K95.5Very high95Very high43 Ų4310.8 Ų10.819%0.1875%0.053CC..Hα-helixtrans-64.3-43.8176.8-65.5-177.1-178.4-168.30111.2H160 Y161 V166 W227 K296 V297 G298 R302 T303 V304H160-K300 VanDerWaalsContact O-CE 3.27Å; H160-K300 WeakPolarHBondContact O-CE 3.49Å; Y161-K300 HydrophobicContact CD1-CD 4.47Å; Y161-K300 HydrophobicContact CD1-CG 4.06Å; V166-K300 HydrophobicContact CG1-CB 3.93Å; V166-K300 HydrophobicContact CG1-CG 4.24Å; V166-K300 HydrophobicContact CG2-CG 4.43Å; W227-K300 HydrophobicContact CH2-CB 4.03Å; W227-K300 HydrophobicContact CZ2-CB 3.59Å; W227-K300 HydrophobicContact CZ2-CD 4.33Å; K296-K300 PolarHBondContact O-N 3.37Å; V297-K300 WeakPolarHBondContact O-CB 3.23Å; V297-K300 PolarHBondContact O-N 3.21Å; V297-K300 VanDerWaalsContact O-N 3.16Å; G298-K300 PolarHBondContact O-N 3.16Å; K300-R302 PolarHBondContact O-N 2.99Å; K300-T303 PolarHBondContact O-N 3.31Å; K300-V304 WeakPolarHBondContact O-CB 3.46Å; K300-V304 WeakPolarHBondContact O-CG2 3.44Å; K300-V304 PolarHBondContact O-N 2.98Å
301V95.6Very high95Very high0 Ų011 Ų110%05%0.054CC..Hα-helixtrans-59.1-47.3175.4171.80000110.8L223 W227 V297 G298 T303 V304 L305 V340 Y344L223-V301 HydrophobicContact CD1-CG1 4.14Å; L223-V301 HydrophobicContact CD2-CG1 4.24Å; W227-V301 HydrophobicContact CE3-CG2 3.72Å; W227-V301 HydrophobicContact CH2-CG2 4.33Å; W227-V301 HydrophobicContact CZ3-CB 4.33Å; W227-V301 HydrophobicContact CZ3-CG2 3.46Å; W227-V301 VanDerWaalsContact CZ3-CG2 3.46Å; V297-V301 WeakPolarHBondContact O-CG2 3.2Å; V297-V301 PolarHBondContact O-N 3.3Å; V297-V301 VanDerWaalsContact O-N 3.11Å; G298-V301 WeakPolarHBondContact O-CB 3.11Å; G298-V301 PolarHBondContact O-N 2.92Å; V301-T303 PolarHBondContact O-N 3.38Å; V301-V304 PolarHBondContact O-N 3.22Å; V301-L305 HydrophobicContact CG1-CD1 3.81Å; V301-L305 HydrophobicContact CG1-CG 4.37Å; V301-L305 WeakPolarHBondContact O-CB 3.45Å; V301-L305 VanDerWaalsContact O-CG 3.29Å; V301-L305 WeakPolarHBondContact O-CG 3.45Å; V301-L305 PolarHBondContact O-N 3.33Å; V301-V340 HydrophobicContact CG1-CG1 3.98Å; V301-Y344 HydrophobicContact CB-CE2 4.39Å; V301-Y344 HydrophobicContact CG1-CE2 4.17Å; V301-Y344 HydrophobicContact CG2-CD2 4.2Å; V301-Y344 HydrophobicContact CG2-CE1 4.32Å; V301-Y344 HydrophobicContact CG2-CE2 3.71Å
302R95.3Very high95Very high12 Ų129.1 Ų9.15%0.0455%0.046CC..Hα-helixtrans-56.9-51.3176.5177.5172.9165-154.1-8.4111.3G298 M299 K300 V304 L305 T306 I337 A341 N1109G298-R302 PolarHBondContact O-N 2.96Å; M299-R302 PolarHBondContact O-N 3Å; K300-R302 PolarHBondContact O-N 2.99Å; R302-V304 VanDerWaalsContact C-N 3.35Å; R302-V304 PolarHBondContact O-N 2.83Å; R302-L305 PolarHBondContact O-N 3.32Å; R302-T306 WeakPolarHBondContact O-CB 3.41Å; R302-T306 PolarHBondContact O-N 3.22Å; R302-T306 PolarHBondContact O-OG1 3.49Å; R302-I337 HydrophobicContact CB-CG2 4.36Å; R302-I337 HydrophobicContact CG-CG2 4Å; R302-A341 HydrophobicContact CB-CB 3.84Å; R302-N1109 PolarHBondContact NH2-OD1 3.41Å
303T95.3Very high94.9Very high2 Ų28.7 Ų8.71%0.0124%0.044CC..Hα-helixtrans-57-48.6-176.9-56.10000111.9V167 M299 K300 V301 T306 S307 L1106 Q1110V167-T303 HydrophobicContact CG2-CG2 4.33Å; M299-T303 WeakPolarHBondContact O-CB 3.21Å; M299-T303 PolarHBondContact O-N 3.31Å; M299-T303 PolarHBondContact O-OG1 2.81Å; K300-T303 PolarHBondContact O-N 3.31Å; V301-T303 PolarHBondContact O-N 3.38Å; T303-T306 PolarHBondContact O-N 3.44Å; T303-S307 PolarHBondContact O-N 2.87Å; T303-S307 VanDerWaalsContact O-N 3.09Å; T303-L1106 HydrophobicContact CG2-CD2 3.99Å; T303-Q1110 PolarHBondContact OG1-NE2 2.77Å
304V96Very high94.7Very high0 Ų06.9 Ų6.90%04%0.035CC..Hα-helixtrans-64.7-45.6179.4168.60000112.6V166 W170 W227 K300 V301 R302 A308V166-V304 HydrophobicContact CB-CG2 4.37Å; V166-V304 HydrophobicContact CG1-CG2 3.53Å; W170-V304 HydrophobicContact CB-CG1 3.64Å; W170-V304 HydrophobicContact CB-CG2 4.1Å; W170-V304 HydrophobicContact CD2-CG1 3.06Å; W170-V304 HydrophobicContact CE3-CG1 3.11Å; W170-V304 HydrophobicContact CG-CG1 3.33Å; W170-V304 HydrophobicContact CH2-CG1 4.29Å; W170-V304 HydrophobicContact CZ2-CG1 4.29Å; W170-V304 HydrophobicContact CZ3-CG1 3.76Å; W227-V304 HydrophobicContact CH2-CB 4.43Å; W227-V304 HydrophobicContact CH2-CG2 3.95Å; W227-V304 HydrophobicContact CZ2-CG2 4.43Å; K300-V304 WeakPolarHBondContact O-CB 3.46Å; K300-V304 WeakPolarHBondContact O-CG2 3.44Å; K300-V304 PolarHBondContact O-N 2.98Å; V301-V304 PolarHBondContact O-N 3.22Å; R302-V304 VanDerWaalsContact C-N 3.35Å; R302-V304 PolarHBondContact O-N 2.83Å; V304-A308 VanDerWaalsContact O-CB 3.22Å; V304-A308 WeakPolarHBondContact O-CB 3.48Å; V304-A308 PolarHBondContact O-N 3.15Å
305L96.3Very high94.4Very high0 Ų011.8 Ų11.80%05%0.054CC..Hα-helixtrans-68.5-36.8-179.7-68.4178.9000112W170 L219 L223 V301 R302 A308 V309 I337 V340 I522W170-L305 HydrophobicContact CH2-CD2 4.5Å; W170-L305 HydrophobicContact CZ2-CD2 4.42Å; L219-L305 HydrophobicContact CD1-CD2 4.03Å; L219-L305 HydrophobicContact CD2-CD2 4.05Å; L219-L305 HydrophobicContact CG-CD2 4.48Å; L223-L305 HydrophobicContact CD1-CD1 4.11Å; L223-L305 HydrophobicContact CD1-CD2 4.27Å; L223-L305 HydrophobicContact CD2-CD2 4.28Å; L223-L305 HydrophobicContact CD2-CG 4.48Å; V301-L305 HydrophobicContact CG1-CD1 3.81Å; V301-L305 HydrophobicContact CG1-CG 4.37Å; V301-L305 WeakPolarHBondContact O-CB 3.45Å; V301-L305 VanDerWaalsContact O-CG 3.29Å; V301-L305 WeakPolarHBondContact O-CG 3.45Å; V301-L305 PolarHBondContact O-N 3.33Å; R302-L305 PolarHBondContact O-N 3.32Å; L305-A308 PolarHBondContact O-N 2.92Å; L305-V309 WeakPolarHBondContact O-CB 3.43Å; L305-V309 WeakPolarHBondContact O-CG2 3.45Å; L305-V309 PolarHBondContact O-N 3.37Å; L305-I337 HydrophobicContact CB-CD1 4.03Å; L305-I337 HydrophobicContact CB-CG1 3.93Å; L305-I337 HydrophobicContact CB-CG2 3.97Å; L305-I337 HydrophobicContact CD1-CG2 4.48Å; L305-V340 HydrophobicContact CD1-CB 4.25Å; L305-V340 HydrophobicContact CD1-CG1 3.91Å; L305-I522 HydrophobicContact CD1-CD1 4.35Å; L305-I522 HydrophobicContact CD2-CG2 4.36Å
306T95.1Very high94Very high6 Ų611.5 Ų11.54%0.0375%0.052CC..Hα-helixtrans-63.9-48177.6-64.20000110.5R302 T303 F310 M333 L1106R302-T306 WeakPolarHBondContact O-CB 3.41Å; R302-T306 PolarHBondContact O-N 3.22Å; R302-T306 PolarHBondContact O-OG1 3.49Å; T303-T306 PolarHBondContact O-N 3.44Å; T306-F310 VanDerWaalsContact O-CB 3.3Å; T306-F310 WeakPolarHBondContact O-CB 3.3Å; T306-F310 PolarHBondContact O-N 3.05Å; T306-M333 HydrophobicContact CG2-CE 3.44Å; T306-M333 VanDerWaalsContact CG2-CE 3.44Å; T306-M333 HydrophobicContact CG2-SD 4.06Å; T306-L1106 HydrophobicContact CG2-CD1 4.12Å; T306-L1106 HydrophobicContact CG2-CD2 3.56Å; T306-L1106 HydrophobicContact CG2-CG 4.38Å
307S95.4Very high93.5Very high2 Ų210.5 Ų10.51%0.0145%0.048CC..Hα-helixtrans-62.4-45.7174.5-178.70000111.4T303 V309 F310 T311 E1103T303-S307 PolarHBondContact O-N 2.87Å; T303-S307 VanDerWaalsContact O-N 3.09Å; S307-V309 PolarHBondContact O-N 2.8Å; S307-F310 PolarHBondContact O-N 2.9Å; S307-T311 WeakPolarHBondContact O-CB 2.78Å; S307-T311 PolarHBondContact O-N 2.87Å; S307-T311 PolarHBondContact O-OG1 3.05Å; S307-T311 VanDerWaalsContact O-OG1 3.09Å; S307-E1103 WeakPolarHBondContact CB-OE1 3.42Å; S307-E1103 PolarHBondContact OG-OE1 3.49Å
308A95.3Very high92.5Very high9 Ų910.8 Ų10.87%0.0745%0.049CC..Hα-helixtrans-60.3-42.4179.800000113.4W170 V304 L305 K312 L526W170-A308 HydrophobicContact CH2-CB 4.02Å; W170-A308 HydrophobicContact CZ3-CB 3.63Å; V304-A308 VanDerWaalsContact O-CB 3.22Å; V304-A308 WeakPolarHBondContact O-CB 3.48Å; V304-A308 PolarHBondContact O-N 3.15Å; L305-A308 PolarHBondContact O-N 2.92Å; A308-K312 WeakPolarHBondContact O-CB 3.2Å; A308-K312 PolarHBondContact O-N 2.76Å; A308-L526 HydrophobicContact CB-CD2 4.11Å
309V94.9Very high91.4Very high0 Ų012.4 Ų12.40%06%0.057CC..Hα-helixtrans-69-42.9176.8169.50000110.6L305 S307 K312 C313 M333 I337 I522 F525 L526 F1079L305-V309 WeakPolarHBondContact O-CB 3.43Å; L305-V309 WeakPolarHBondContact O-CG2 3.45Å; L305-V309 PolarHBondContact O-N 3.37Å; S307-V309 PolarHBondContact O-N 2.8Å; V309-K312 PolarHBondContact O-N 2.77Å; V309-C313 PolarHBondContact O-N 2.81Å; V309-C313 PolarHBondContact O-SG 3.25Å; V309-M333 HydrophobicContact CB-CG 4.47Å; V309-M333 HydrophobicContact CB-SD 3.75Å; V309-M333 HydrophobicContact CG1-CG 3.68Å; V309-M333 HydrophobicContact CG1-SD 3.6Å; V309-I337 HydrophobicContact CB-CD1 4.36Å; V309-I337 HydrophobicContact CG2-CD1 4.09Å; V309-I522 HydrophobicContact CG2-CG2 4.17Å; V309-F525 HydrophobicContact CB-CE1 4.43Å; V309-F525 HydrophobicContact CG1-CD1 4.31Å; V309-F525 HydrophobicContact CG1-CE1 3.81Å; V309-F525 HydrophobicContact CG2-CD1 4.34Å; V309-L526 HydrophobicContact CG2-CD2 4.25Å; V309-F1079 HydrophobicContact CG1-CZ 4.46Å
310F95.3Very high90.4Very high2 Ų213 Ų131%0.0096%0.062CC..Hα-helixtrans-59.7-50.6176.7-170.5-80.6000111.8T306 S307 K312 C313 L314 H1078 F1079 T1082 F1098 I1099 S1102T306-F310 VanDerWaalsContact O-CB 3.3Å; T306-F310 WeakPolarHBondContact O-CB 3.3Å; T306-F310 PolarHBondContact O-N 3.05Å; S307-F310 PolarHBondContact O-N 2.9Å; F310-K312 VanDerWaalsContact C-N 3.3Å; F310-K312 PolarHBondContact O-N 2.84Å; F310-C313 WeakPolarHBondContact O-CB 3.13Å; F310-C313 PolarHBondContact O-N 3.16Å; F310-L314 HydrophobicContact CD1-CD1 4.12Å; F310-L314 HydrophobicContact CE1-CD1 3.66Å; F310-L314 HydrophobicContact CE1-CG 4.47Å; F310-L314 PolarHBondContact O-N 3.46Å; F310-H1078 AromaticContact CE2-CD2 3.81Å; F310-H1078 AromaticContact CZ-CD2 3.9Å; F310-H1078 AromaticContact CZ-NE2 3.79Å; F310-F1079 HydrophobicContact CD2-CB 4.46Å; F310-F1079 AromaticContact CD2-CD2 3.51Å; F310-F1079 HydrophobicContact CD2-CD2 3.51Å; F310-F1079 HydrophobicContact CD2-CE2 4.23Å; F310-F1079 HydrophobicContact CD2-CG 4.44Å; F310-F1079 HydrophobicContact CE2-CB 4.41Å; F310-F1079 AromaticContact CE2-CD2 3.95Å; F310-F1079 HydrophobicContact CE2-CD2 3.95Å; F310-F1079 HydrophobicContact CG-CD2 4.43Å; F310-T1082 HydrophobicContact CE1-CG2 4.45Å; F310-T1082 HydrophobicContact CE2-CG2 4.32Å; F310-T1082 HydrophobicContact CZ-CG2 3.82Å; F310-F1098 HydrophobicContact CE1-CB 4.26Å; F310-F1098 WeakPolarHBondContact CE1-O 3.3Å; F310-F1098 HydrophobicContact CZ-CB 4.27Å; F310-F1098 WeakPolarHBondContact CZ-O 3.39Å; F310-I1099 HydrophobicContact CD1-CB 4.48Å; F310-I1099 HydrophobicContact CD1-CG1 3.95Å; F310-I1099 HydrophobicContact CE1-CB 4.47Å; F310-I1099 HydrophobicContact CE1-CG1 4.02Å; F310-S1102 WeakPolarHBondContact CD2-OG 3.4Å; F310-S1102 WeakPolarHBondContact CE2-OG 3.47Å; F310-S1102 WeakPolarHBondContact CG-OG 3.27Å
311T94.4Very high89.4Confident10 Ų1013.9 Ų13.96%0.0617%0.065CC..Hα-helixtrans-60.5-41.1176.2-62.60000111.2S307 L314 R315 I1099S307-T311 WeakPolarHBondContact O-CB 2.78Å; S307-T311 PolarHBondContact O-N 2.87Å; S307-T311 PolarHBondContact O-OG1 3.05Å; S307-T311 VanDerWaalsContact O-OG1 3.09Å; T311-L314 PolarHBondContact O-N 2.94Å; T311-R315 WeakPolarHBondContact O-CG 3.45Å; T311-R315 PolarHBondContact O-N 3.45Å; T311-I1099 HydrophobicContact CG2-CD1 4.06Å
312K93.1Very high88.2Confident11 Ų1121.2 Ų21.25%0.0489%0.092CC..Hα-helixtrans-63-43.4176.5-172.871.9-177.8-164.30111.7A308 V309 F310 L314 R315 L316 F525 L526 S528 E530A308-K312 WeakPolarHBondContact O-CB 3.2Å; A308-K312 PolarHBondContact O-N 2.76Å; V309-K312 PolarHBondContact O-N 2.77Å; F310-K312 VanDerWaalsContact C-N 3.3Å; F310-K312 PolarHBondContact O-N 2.84Å; K312-L314 VanDerWaalsContact C-N 3.26Å; K312-L314 PolarHBondContact O-N 3.07Å; K312-R315 CarbonylContact O-C 3.6Å; K312-R315 WeakPolarHBondContact O-CA 3.35Å; K312-R315 PolarHBondContact O-N 2.78Å; K312-L316 HydrophobicContact CG-CD2 4.13Å; K312-L316 WeakPolarHBondContact O-CG 3.41Å; K312-L316 PolarHBondContact O-N 3.26Å; K312-F525 HydrophobicContact CB-CE1 3.9Å; K312-F525 HydrophobicContact CG-CD1 4.16Å; K312-F525 HydrophobicContact CG-CE1 3.77Å; K312-F525 HydrophobicContact CG-CZ 4.38Å; K312-L526 HydrophobicContact CB-CD2 3.98Å; K312-L526 VanDerWaalsContact CE-O 3.26Å; K312-L526 WeakPolarHBondContact CE-O 3.49Å; K312-L526 HydrophobicContact CG-CD2 4.28Å; K312-L526 PolarHBondContact NZ-O 2.79Å; K312-S528 VanDerWaalsContact CE-O 3.28Å; K312-S528 WeakPolarHBondContact CE-O 3.33Å; K312-S528 WeakPolarHBondContact CE-OG 3.47Å; K312-S528 PolarHBondContact NZ-O 3.11Å; K312-E530 HydrophobicContact CD-CG 4.2Å; K312-E530 WeakPolarHBondContact CD-OE1 3.44Å; K312-E530 WeakPolarHBondContact CE-OE1 3.41Å; K312-E530 IonicContact NZ-OE1 2.89Å; K312-E530 PolarHBondContact NZ-OE1 3.26Å
313C91.4Very high86.8Confident3 Ų323.4 Ų23.42%0.0212%0.119CC..Hα-helixtrans-54.6-42.5177.2-730000112.5V309 F310 R315 F525 F1079 L1083V309-C313 PolarHBondContact O-N 2.81Å; V309-C313 PolarHBondContact O-SG 3.25Å; F310-C313 WeakPolarHBondContact O-CB 3.13Å; F310-C313 PolarHBondContact O-N 3.16Å; C313-R315 PolarHBondContact O-N 3Å; C313-F525 VanDerWaalsContact SG-CZ 3.54Å; C313-F1079 HydrophobicContact CB-CE2 4.14Å; C313-F1079 WeakPolarHBondContact SG-CE2 3.43Å; C313-F1079 VanDerWaalsContact SG-CZ 3.52Å; C313-L1083 HydrophobicContact CB-CD2 3.62Å
314L90.8Very high85.8Confident4 Ų424.5 Ų24.52%0.02113%0.126CC..Hα-helixtrans-69.6-14.5176.3-71.7172.9000113.4F310 T311 K312 T1082 I1089 R1090 E1095 F1098 I1099F310-L314 HydrophobicContact CD1-CD1 4.12Å; F310-L314 HydrophobicContact CE1-CD1 3.66Å; F310-L314 HydrophobicContact CE1-CG 4.47Å; F310-L314 PolarHBondContact O-N 3.46Å; T311-L314 PolarHBondContact O-N 2.94Å; K312-L314 VanDerWaalsContact C-N 3.26Å; K312-L314 PolarHBondContact O-N 3.07Å; L314-T1082 HydrophobicContact CD2-CG2 3.65Å; L314-T1082 HydrophobicContact CG-CG2 4.24Å; L314-I1089 HydrophobicContact CD2-CG2 4.32Å; L314-R1090 PolarHBondContact O-NE 3.09Å; L314-R1090 PolarHBondContact O-NH2 2.85Å; L314-E1095 HydrophobicContact CD1-CB 4.17Å; L314-F1098 HydrophobicContact CD1-CB 4.45Å; L314-I1099 HydrophobicContact CD1-CD1 4.15Å; L314-I1099 HydrophobicContact CD1-CG1 3.69Å
315R89Confident85Confident104 Ų10428.3 Ų28.339%0.39215%0.149SC..Hα-helixtrans-111.8-8.3-178.9-64.5-179.9-176.6170.74.8114.5T311 K312 C313 E530 F531T311-R315 WeakPolarHBondContact O-CG 3.45Å; T311-R315 PolarHBondContact O-N 3.45Å; K312-R315 CarbonylContact O-C 3.6Å; K312-R315 WeakPolarHBondContact O-CA 3.35Å; K312-R315 PolarHBondContact O-N 2.78Å; C313-R315 PolarHBondContact O-N 3Å; R315-E530 HydrophobicContact CB-CB 4.41Å; R315-E530 HydrophobicContact CB-CG 4.1Å; R315-E530 CarbonylContact O-C 3.6Å; R315-E530 WeakPolarHBondContact O-CA 3.44Å; R315-E530 WeakPolarHBondContact O-CB 3.42Å; R315-F531 PolarHBondContact O-N 2.85Å
316L87.3Confident84.2Confident1 Ų131.9 Ų31.91%0.00517%0.168CC..BIsolated β-bridgetrans-57.6132.6-179.4-75.5176.7000113.5K312 A320 R321 M329 F525 S528 F531 R1090K312-L316 HydrophobicContact CG-CD2 4.13Å; K312-L316 WeakPolarHBondContact O-CG 3.41Å; K312-L316 PolarHBondContact O-N 3.26Å; L316-A320 HydrophobicContact CD2-CB 4.02Å; L316-R321 PolarHBondContact O-NH2 2.86Å; L316-M329 HydrophobicContact CD1-CE 3.29Å; L316-M329 HydrophobicContact CD1-SD 3.97Å; L316-F525 HydrophobicContact CD1-CE2 3.71Å; L316-F525 HydrophobicContact CD1-CZ 3.71Å; L316-F525 HydrophobicContact CD2-CE2 4.14Å; L316-F525 HydrophobicContact CD2-CZ 4.21Å; L316-F525 HydrophobicContact CG-CE2 4.42Å; L316-F525 HydrophobicContact CG-CZ 4.23Å; L316-S528 WeakPolarHBondContact CD2-OG 3.23Å; L316-F531 VanDerWaalsContact C-CD2 3.49Å; L316-F531 WeakPolarHBondContact O-CD2 3.16Å; L316-F531 WeakPolarHBondContact O-CE2 3.25Å; L316-R1090 PolarHBondContact O-NH2 2.86Å; L316-R1090 VanDerWaalsContact O-NH2 3.14Å
317S81.5Confident83.4Confident1 Ų133.5 Ų33.51%0.00719%0.186CC..  trans-62.1161.316777.50000111.9A320 R321 E529 F531S317-A320 PolarHBondContact O-N 3.34Å; S317-A320 WeakPolarHBondContact OG-CB 3.41Å; S317-A320 PolarHBondContact OG-N 3.21Å; S317-R321 VanDerWaalsContact O-CB 3.31Å; S317-R321 WeakPolarHBondContact O-CB 3.26Å; S317-R321 PolarHBondContact O-N 3.06Å; S317-E529 WeakPolarHBondContact CB-O 3.48Å; S317-E529 PolarHBondContact N-O 3.11Å; S317-E529 PolarHBondContact OG-O 3.18Å; S317-F531 VanDerWaalsContact CA-CD2 3.5Å; S317-F531 VanDerWaalsContact CA-CE2 3.45Å
318N75.1Confident82.9Confident10 Ų1037.3 Ų37.35%0.05320%0.204CC..Hα-helixtrans-68-35.1179.5-92.3-7.1000113.7R321 R322 F531 W555 E597N318-R321 PolarHBondContact O-N 2.72Å; N318-R321 VanDerWaalsContact OD1-CZ 3.25Å; N318-R321 PolarHBondContact OD1-NH1 3.31Å; N318-R322 WeakPolarHBondContact O-CG 3.22Å; N318-R322 PolarHBondContact O-N 3.03Å; N318-F531 HydrophobicContact CB-CZ 4.21Å; N318-W555 VanDerWaalsContact ND2-CE3 3.33Å; N318-W555 VanDerWaalsContact ND2-CZ3 3.26Å; N318-W555 WeakPolarHBondContact ND2-CZ3 3.39Å; N318-E597 PolarHBondContact ND2-O 3.5Å
319D71.4Confident82.6Confident38 Ų3837.2 Ų37.220%0.20320%0.202CC..Hα-helixtrans-58.3-49.1170.6-84.6-32.9000111.8R321 R322 G323 S556 S557D319-R321 VanDerWaalsContact C-N 3.32Å; D319-R321 PolarHBondContact O-N 2.78Å; D319-R322 PolarHBondContact O-N 3.39Å; D319-G323 PolarHBondContact O-N 2.87Å; D319-G323 VanDerWaalsContact O-N 3.08Å; D319-S556 VanDerWaalsContact CG-OG 3.23Å; D319-S556 WeakPolarHBondContact OD1-CA 3.32Å; D319-S556 WeakPolarHBondContact OD1-CB 3.43Å; D319-S556 PolarHBondContact OD1-OG 3.4Å; D319-S556 WeakPolarHBondContact OD2-CA 3.33Å; D319-S556 PolarHBondContact OD2-OG 3.35Å; D319-S557 PolarHBondContact OD2-N 3.04Å; D319-S557 PolarHBondContact OD2-OG 2.98Å
320A74.9Confident82.3Confident14 Ų1438.8 Ų38.812%0.11621%0.211CC..Hα-helixtrans-65.8-36.5179.100000112.4L316 S317 G323 S324L316-A320 HydrophobicContact CD2-CB 4.02Å; S317-A320 PolarHBondContact O-N 3.34Å; S317-A320 WeakPolarHBondContact OG-CB 3.41Å; S317-A320 PolarHBondContact OG-N 3.21Å; A320-G323 PolarHBondContact O-N 3.18Å; A320-S324 PolarHBondContact O-N 3.31Å; A320-S324 PolarHBondContact O-OG 2.86Å; A320-S324 VanDerWaalsContact O-OG 3.08Å
321R74.8Confident82Confident63 Ų6342.3 Ų42.324%0.23823%0.23CC..Hα-helixtrans-67.6-37.9177.4-166.4-174.9-55.6165.16.1111.9L316 S317 N318 D319 S324 M329 E597L316-R321 PolarHBondContact O-NH2 2.86Å; S317-R321 VanDerWaalsContact O-CB 3.31Å; S317-R321 WeakPolarHBondContact O-CB 3.26Å; S317-R321 PolarHBondContact O-N 3.06Å; N318-R321 PolarHBondContact O-N 2.72Å; N318-R321 VanDerWaalsContact OD1-CZ 3.25Å; N318-R321 PolarHBondContact OD1-NH1 3.31Å; D319-R321 VanDerWaalsContact C-N 3.32Å; D319-R321 PolarHBondContact O-N 2.78Å; R321-S324 CarbonylContact O-C 3.54Å; R321-S324 PolarHBondContact O-N 3.23Å; R321-M329 HydrophobicContact CG-CE 4.03Å; R321-E597 IonicContact CZ-OE2 2.73Å; R321-E597 IonicContact NH1-OE2 2.9Å; R321-E597 PolarHBondContact NH1-OE2 3.35Å; R321-E597 IonicContact NH2-OE2 2.79Å; R321-E597 PolarHBondContact NH2-OE2 3.06Å
322R69.4Low81.9Confident154 Ų15442.3 Ų42.358%0.58123%0.23SC*.Hα-helixtrans-68.4-38.7173.5-76.6179.7171.1-165.1-5112.4N318 D319 S324N318-R322 WeakPolarHBondContact O-CG 3.22Å; N318-R322 PolarHBondContact O-N 3.03Å; D319-R322 PolarHBondContact O-N 3.39Å; R322-S324 PolarHBondContact O-N 2.87Å
323G66.6Low81.8Confident58 Ų5842 Ų4260%0.59823%0.229SC*.THydrogen-bonded Turntrans-71.1-9.6177.200000114.8D319 A320D319-G323 PolarHBondContact O-N 2.87Å; D319-G323 VanDerWaalsContact O-N 3.08Å; A320-G323 PolarHBondContact O-N 3.18Å
324S74.6Confident81.6Confident24 Ų2443.4 Ų43.417%0.16824%0.24CC..SBendtrans-128.8102179.7-48.40000109A320 R321 R322 E328 M329A320-S324 PolarHBondContact O-N 3.31Å; A320-S324 PolarHBondContact O-OG 2.86Å; A320-S324 VanDerWaalsContact O-OG 3.08Å; R321-S324 CarbonylContact O-C 3.54Å; R321-S324 PolarHBondContact O-N 3.23Å; R322-S324 PolarHBondContact O-N 2.87Å; S324-E328 VanDerWaalsContact CA-OE2 3.32Å; S324-E328 WeakPolarHBondContact CA-OE2 3.44Å; S324-M329 VanDerWaalsContact O-CE 3.26Å; S324-M329 WeakPolarHBondContact O-CE 3.17Å
325T78.3Confident81.7Confident80 Ų8045.5 Ų45.549%0.49125%0.253SS..  trans-62.8156.8-177.665.20000111.5G327 E328 M329T325-G327 PolarHBondContact O-N 2.81Å; T325-E328 PolarHBondContact N-OE2 2.81Å; T325-E328 WeakPolarHBondContact O-CA 3.43Å; T325-E328 WeakPolarHBondContact O-CB 2.99Å; T325-E328 PolarHBondContact O-N 2.84Å; T325-E328 VanDerWaalsContact OG1-CG 3.32Å; T325-E328 WeakPolarHBondContact OG1-CG 2.96Å; T325-E328 PolarHBondContact OG1-N 3.46Å; T325-E328 VanDerWaalsContact OG1-N 3.17Å; T325-M329 PolarHBondContact O-N 2.97Å
326L78.8Confident82Confident75 Ų7540.6 Ų40.639%0.39324%0.235SC..Hα-helixtrans-49.6-43.6173.4178.165.2000111.2M329 V330 L1083 V1084L326-M329 PolarHBondContact O-N 3.49Å; L326-V330 VanDerWaalsContact O-CG2 3.32Å; L326-V330 WeakPolarHBondContact O-CG2 3.11Å; L326-V330 PolarHBondContact O-N 3.11Å; L326-L1083 HydrophobicContact CD1-CB 3.52Å; L326-L1083 HydrophobicContact CD1-CD1 3.48Å; L326-L1083 VanDerWaalsContact CD1-CD1 3.48Å; L326-L1083 HydrophobicContact CD1-CG 4.15Å; L326-V1084 HydrophobicContact CD2-CG2 4.42Å
327G79.7Confident82.4Confident40 Ų4040.6 Ų40.641%0.41224%0.235SC..Hα-helixtrans-64.7-36.6176.900000113.7T325 N331T325-G327 PolarHBondContact O-N 2.81Å; G327-N331 VanDerWaalsContact O-CB 3.3Å; G327-N331 WeakPolarHBondContact O-CB 3.04Å; G327-N331 VanDerWaalsContact O-CG 3.23Å; G327-N331 PolarHBondContact O-N 2.9Å; G327-N331 PolarHBondContact O-ND2 2.85Å; G327-N331 VanDerWaalsContact O-ND2 3.1Å
328E84.9Confident82.9Confident83 Ų8342.4 Ų42.439%0.38824%0.243SC..Hα-helixtrans-65.9-42.2174-75.7174.814400112.1S324 T325 N331 L332S324-E328 VanDerWaalsContact CA-OE2 3.32Å; S324-E328 WeakPolarHBondContact CA-OE2 3.44Å; T325-E328 PolarHBondContact N-OE2 2.81Å; T325-E328 WeakPolarHBondContact O-CA 3.43Å; T325-E328 WeakPolarHBondContact O-CB 2.99Å; T325-E328 PolarHBondContact O-N 2.84Å; T325-E328 VanDerWaalsContact OG1-CG 3.32Å; T325-E328 WeakPolarHBondContact OG1-CG 2.96Å; T325-E328 PolarHBondContact OG1-N 3.46Å; T325-E328 VanDerWaalsContact OG1-N 3.17Å; E328-N331 PolarHBondContact O-N 3.09Å; E328-L332 WeakPolarHBondContact O-CG 3.4Å; E328-L332 PolarHBondContact O-N 2.9Å
329M87.9Confident83.8Confident6 Ų646.4 Ų46.43%0.0326%0.257CS..Hα-helixtrans-64.3-43.4176.8-61.6-171.3-168.100111.8L316 R321 S324 T325 L326 N331 L332 M333 F525 F1079 L1083L316-M329 HydrophobicContact CD1-CE 3.29Å; L316-M329 HydrophobicContact CD1-SD 3.97Å; R321-M329 HydrophobicContact CG-CE 4.03Å; S324-M329 VanDerWaalsContact O-CE 3.26Å; S324-M329 WeakPolarHBondContact O-CE 3.17Å; T325-M329 PolarHBondContact O-N 2.97Å; L326-M329 PolarHBondContact O-N 3.49Å; M329-N331 VanDerWaalsContact C-N 3.32Å; M329-N331 PolarHBondContact O-N 2.82Å; M329-L332 WeakPolarHBondContact O-CB 3.44Å; M329-L332 PolarHBondContact O-N 3.08Å; M329-M333 PolarHBondContact O-N 3.11Å; M329-F525 HydrophobicContact CE-CE2 4.29Å; M329-F525 HydrophobicContact CG-CE2 3.95Å; M329-F525 HydrophobicContact CG-CZ 4.36Å; M329-F525 HydrophobicContact SD-CE2 4.29Å; M329-F525 HydrophobicContact SD-CZ 4.42Å; M329-F1079 HydrophobicContact CB-CE1 4.39Å; M329-F1079 HydrophobicContact CB-CZ 4.27Å; M329-L1083 HydrophobicContact CB-CD1 3.86Å; M329-L1083 HydrophobicContact SD-CD1 4.07Å; M329-L1083 HydrophobicContact SD-CD2 3.72Å
330V88.4Confident85Confident34 Ų3444.9 Ų44.921%0.20625%0.249CC..Hα-helixtrans-62.2-41174.6173.20000110.8L326 L332 M333 A334 F1079 L1083L326-V330 VanDerWaalsContact O-CG2 3.32Å; L326-V330 WeakPolarHBondContact O-CG2 3.11Å; L326-V330 PolarHBondContact O-N 3.11Å; V330-L332 PolarHBondContact O-N 2.87Å; V330-M333 PolarHBondContact O-N 2.94Å; V330-A334 VanDerWaalsContact O-CB 3.3Å; V330-A334 WeakPolarHBondContact O-CB 3.37Å; V330-A334 PolarHBondContact O-N 3.08Å; V330-F1079 HydrophobicContact CG2-CD1 4.27Å; V330-F1079 HydrophobicContact CG2-CE1 4.18Å; V330-L1083 HydrophobicContact CG2-CD1 4.47Å
331N89.8Confident85.9Confident76 Ų7644.5 Ų44.541%0.40625%0.246SC..Hα-helixtrans-64.3-37.5175.5-80.3-34.9000113G327 E328 M329 M333 A334 V335 D336G327-N331 VanDerWaalsContact O-CB 3.3Å; G327-N331 WeakPolarHBondContact O-CB 3.04Å; G327-N331 VanDerWaalsContact O-CG 3.23Å; G327-N331 PolarHBondContact O-N 2.9Å; G327-N331 PolarHBondContact O-ND2 2.85Å; G327-N331 VanDerWaalsContact O-ND2 3.1Å; E328-N331 PolarHBondContact O-N 3.09Å; M329-N331 VanDerWaalsContact C-N 3.32Å; M329-N331 PolarHBondContact O-N 2.82Å; N331-M333 VanDerWaalsContact C-N 3.29Å; N331-M333 PolarHBondContact O-N 2.58Å; N331-A334 PolarHBondContact O-N 2.65Å; N331-V335 WeakPolarHBondContact O-CA 3.31Å; N331-V335 WeakPolarHBondContact O-CB 3.09Å; N331-V335 PolarHBondContact O-N 2.84Å; N331-D336 PolarHBondContact O-N 3.47Å; N331-D336 VanDerWaalsContact O-N 3.14Å
332L92.2Very high86.8Confident10 Ų1045.1 Ų45.15%0.05225%0.252CS..Iπ-helixtrans-56.6-47.7174.2-71.3174000110.5E328 M329 V330 D336 I337 R521 I522 F525E328-L332 WeakPolarHBondContact O-CG 3.4Å; E328-L332 PolarHBondContact O-N 2.9Å; M329-L332 WeakPolarHBondContact O-CB 3.44Å; M329-L332 PolarHBondContact O-N 3.08Å; V330-L332 PolarHBondContact O-N 2.87Å; L332-D336 WeakPolarHBondContact CA-OD2 3.4Å; L332-D336 HydrophobicContact CD2-CB 4.17Å; L332-D336 PolarHBondContact O-N 3.02Å; L332-I337 VanDerWaalsContact O-CG1 3.3Å; L332-I337 WeakPolarHBondContact O-CG1 3.23Å; L332-I337 PolarHBondContact O-N 3.48Å; L332-R521 HydrophobicContact CD2-CB 3.9Å; L332-I522 HydrophobicContact CD2-CG1 4Å; L332-F525 HydrophobicContact CD1-CB 3.64Å; L332-F525 HydrophobicContact CD1-CD1 3.9Å; L332-F525 HydrophobicContact CD1-CD2 3.58Å; L332-F525 HydrophobicContact CD1-CE1 4.46Å; L332-F525 HydrophobicContact CD1-CE2 4.17Å; L332-F525 HydrophobicContact CD1-CG 3.41Å; L332-F525 VanDerWaalsContact CD1-CG 3.41Å
333M90.1Very high87.9Confident4 Ų438.3 Ų38.32%0.0223%0.228CC..Iπ-helixtrans-69.4-45.8-179.4-75.1-73.8-81.200113.3T306 V309 M329 V330 N331 I337 Y1076 F1079T306-M333 HydrophobicContact CG2-CE 3.44Å; T306-M333 VanDerWaalsContact CG2-CE 3.44Å; T306-M333 HydrophobicContact CG2-SD 4.06Å; V309-M333 HydrophobicContact CB-CG 4.47Å; V309-M333 HydrophobicContact CB-SD 3.75Å; V309-M333 HydrophobicContact CG1-CG 3.68Å; V309-M333 HydrophobicContact CG1-SD 3.6Å; M329-M333 PolarHBondContact O-N 3.11Å; V330-M333 PolarHBondContact O-N 2.94Å; N331-M333 VanDerWaalsContact C-N 3.29Å; N331-M333 PolarHBondContact O-N 2.58Å; M333-I337 HydrophobicContact SD-CD1 3.7Å; M333-Y1076 HydrophobicContact CB-CE1 4.39Å; M333-F1079 HydrophobicContact CB-CD1 4.29Å; M333-F1079 HydrophobicContact CB-CE1 4.07Å; M333-F1079 HydrophobicContact CE-CD2 4.11Å; M333-F1079 HydrophobicContact CE-CE2 4.34Å; M333-F1079 HydrophobicContact CE-CG 4.2Å; M333-F1079 HydrophobicContact CG-CD1 3.97Å; M333-F1079 HydrophobicContact CG-CD2 4.45Å; M333-F1079 HydrophobicContact CG-CE1 3.52Å; M333-F1079 HydrophobicContact CG-CE2 4.02Å; M333-F1079 HydrophobicContact CG-CG 4.39Å; M333-F1079 HydrophobicContact CG-CZ 3.51Å
334A87.5Confident89.2Confident32 Ų3235.7 Ų35.726%0.26420%0.2SC..Iπ-helixtrans-83.5-29.8-171.400000113.9V330 N331 Y1076V330-A334 VanDerWaalsContact O-CB 3.3Å; V330-A334 WeakPolarHBondContact O-CB 3.37Å; V330-A334 PolarHBondContact O-N 3.08Å; N331-A334 PolarHBondContact O-N 2.65Å; A334-Y1076 HydrophobicContact CB-CD1 4.47Å; A334-Y1076 HydrophobicContact CB-CE1 4Å; A334-Y1076 HydrophobicContact CB-CE2 4.47Å
335V92.6Very high90.1Very high49 Ų4935.1 Ų35.130%0.29720%0.196SC..Iπ-helixtrans-121.4-56.1-170.5-1770000112N331 I337 Q338 R339N331-V335 WeakPolarHBondContact O-CA 3.31Å; N331-V335 WeakPolarHBondContact O-CB 3.09Å; N331-V335 PolarHBondContact O-N 2.84Å; V335-I337 PolarHBondContact O-N 2.97Å; V335-Q338 PolarHBondContact O-N 3.07Å; V335-R339 WeakPolarHBondContact O-CG 3.49Å; V335-R339 PolarHBondContact O-N 3.18Å
336D95.5Very high90.7Very high0 Ų034.9 Ų34.90%019%0.187CC..Iπ-helixtrans-65.1-45-171.6-65.3-92.1000111.7N331 L332 Q338 R339 V340 S518 R521 I522N331-D336 PolarHBondContact O-N 3.47Å; N331-D336 VanDerWaalsContact O-N 3.14Å; L332-D336 WeakPolarHBondContact CA-OD2 3.4Å; L332-D336 HydrophobicContact CD2-CB 4.17Å; L332-D336 PolarHBondContact O-N 3.02Å; D336-Q338 VanDerWaalsContact C-N 3.33Å; D336-Q338 PolarHBondContact O-N 2.74Å; D336-R339 PolarHBondContact O-N 2.89Å; D336-V340 WeakPolarHBondContact O-CG2 3.4Å; D336-V340 PolarHBondContact O-N 3.14Å; D336-V340 VanDerWaalsContact O-N 3.09Å; D336-S518 WeakPolarHBondContact OD1-CA 3.36Å; D336-S518 PolarHBondContact OD1-OG 2.85Å; D336-R521 IonicContact OD1-CZ 2.9Å; D336-R521 IonicContact OD1-NE 3.12Å; D336-R521 IonicContact OD1-NH1 2.76Å; D336-R521 PolarHBondContact OD1-NH1 3.27Å; D336-R521 IonicContact OD2-CZ 3.61Å; D336-R521 IonicContact OD2-NH1 2.84Å; D336-R521 PolarHBondContact OD2-NH1 3.44Å; D336-R521 IonicContact OD2-NH2 3.44Å; D336-I522 HydrophobicContact CB-CD1 4.02Å; D336-I522 HydrophobicContact CB-CG1 4.1Å
337I95.9Very high91.3Very high2 Ų232 Ų321%0.0117%0.172CC..Hα-helixtrans-60.5-43.7176.6-68.2174.3000111.2R302 L305 V309 L332 M333 V335 R339 V340 A341 I522R302-I337 HydrophobicContact CB-CG2 4.36Å; R302-I337 HydrophobicContact CG-CG2 4Å; L305-I337 HydrophobicContact CB-CD1 4.03Å; L305-I337 HydrophobicContact CB-CG1 3.93Å; L305-I337 HydrophobicContact CB-CG2 3.97Å; L305-I337 HydrophobicContact CD1-CG2 4.48Å; V309-I337 HydrophobicContact CB-CD1 4.36Å; V309-I337 HydrophobicContact CG2-CD1 4.09Å; L332-I337 VanDerWaalsContact O-CG1 3.3Å; L332-I337 WeakPolarHBondContact O-CG1 3.23Å; L332-I337 PolarHBondContact O-N 3.48Å; M333-I337 HydrophobicContact SD-CD1 3.7Å; V335-I337 PolarHBondContact O-N 2.97Å; I337-R339 PolarHBondContact O-N 3.21Å; I337-V340 PolarHBondContact O-N 3.2Å; I337-A341 WeakPolarHBondContact O-CB 3.34Å; I337-A341 PolarHBondContact O-N 2.93Å; I337-I522 HydrophobicContact CG1-CD1 3.86Å
338Q93.4Very high91.8Very high38 Ų3830.1 Ų30.118%0.17815%0.152CC..Hα-helixtrans-61-44.8179.1-174.764.620.300111.1V335 D336 V340 A341 E342V335-Q338 PolarHBondContact O-N 3.07Å; D336-Q338 VanDerWaalsContact C-N 3.33Å; D336-Q338 PolarHBondContact O-N 2.74Å; Q338-V340 VanDerWaalsContact C-N 3.33Å; Q338-V340 PolarHBondContact O-N 3.01Å; Q338-A341 PolarHBondContact O-N 2.73Å; Q338-E342 HydrophobicContact CG-CG 4.22Å; Q338-E342 WeakPolarHBondContact CG-OE1 3.28Å; Q338-E342 PolarHBondContact NE2-OE1 3.19Å; Q338-E342 WeakPolarHBondContact O-CB 3.5Å; Q338-E342 WeakPolarHBondContact O-CG 3.4Å; Q338-E342 PolarHBondContact O-N 3.3Å
339R93.9Very high92.1Very high94 Ų9427.4 Ų27.436%0.35514%0.14SC..Hα-helixtrans-59-42.7176.1-74.7174.4169.6161.23.3112.3V335 D336 I337 V343 S518V335-R339 WeakPolarHBondContact O-CG 3.49Å; V335-R339 PolarHBondContact O-N 3.18Å; D336-R339 PolarHBondContact O-N 2.89Å; I337-R339 PolarHBondContact O-N 3.21Å; R339-V343 WeakPolarHBondContact O-CG2 3.48Å; R339-V343 PolarHBondContact O-N 3.45Å; R339-S518 WeakPolarHBondContact CD-OG 3.34Å
340V95.5Very high92.2Very high6 Ų628.9 Ų28.94%0.03615%0.148CC..Hα-helixtrans-64.9-42.9177.6176.60000111.1L223 V301 L305 D336 I337 Q338 Y344 C519 I522L223-V340 HydrophobicContact CD1-CG1 4.13Å; V301-V340 HydrophobicContact CG1-CG1 3.98Å; L305-V340 HydrophobicContact CD1-CB 4.25Å; L305-V340 HydrophobicContact CD1-CG1 3.91Å; D336-V340 WeakPolarHBondContact O-CG2 3.4Å; D336-V340 PolarHBondContact O-N 3.14Å; D336-V340 VanDerWaalsContact O-N 3.09Å; I337-V340 PolarHBondContact O-N 3.2Å; Q338-V340 VanDerWaalsContact C-N 3.33Å; Q338-V340 PolarHBondContact O-N 3.01Å; V340-Y344 WeakPolarHBondContact O-CD2 3.45Å; V340-C519 WeakPolarHBondContact CG2-SG 3.37Å; V340-I522 HydrophobicContact CG2-CD1 4.13Å
341A94.6Very high92.4Very high6 Ų630.8 Ų30.85%0.0516%0.159CC..Hα-helixtrans-67.4-43.9179.300000112.9G298 R302 I337 Q338 V343 Y344G298-A341 WeakPolarHBondContact O-CB 3.2Å; R302-A341 HydrophobicContact CB-CB 3.84Å; I337-A341 WeakPolarHBondContact O-CB 3.34Å; I337-A341 PolarHBondContact O-N 2.93Å; Q338-A341 PolarHBondContact O-N 2.73Å; A341-V343 VanDerWaalsContact C-N 3.33Å; A341-V343 PolarHBondContact O-N 3.03Å; A341-Y344 WeakPolarHBondContact O-CB 3.4Å; A341-Y344 PolarHBondContact O-N 2.94Å
342E92.2Very high92.4Very high77 Ų7727.2 Ų27.236%0.3614%0.14SC..Hα-helixtrans-66.2-32.8-177.5-76.7178.3172.600113.2Q338 Y344 A345 Y346Q338-E342 HydrophobicContact CG-CG 4.22Å; Q338-E342 WeakPolarHBondContact CG-OE1 3.28Å; Q338-E342 PolarHBondContact NE2-OE1 3.19Å; Q338-E342 WeakPolarHBondContact O-CB 3.5Å; Q338-E342 WeakPolarHBondContact O-CG 3.4Å; Q338-E342 PolarHBondContact O-N 3.3Å; E342-Y344 PolarHBondContact O-N 3.1Å; E342-Y344 VanDerWaalsContact O-N 3.16Å; E342-A345 VanDerWaalsContact O-CB 3.29Å; E342-A345 WeakPolarHBondContact O-CB 3.35Å; E342-A345 PolarHBondContact O-N 3.01Å; E342-Y346 WeakPolarHBondContact O-CD2 3.47Å
343V93.7Very high92.4Very high11 Ų1126.9 Ų26.97%0.06714%0.139CC..Hα-helixtrans-59-30.1177.4163.60000112.3R339 A341 A345 Y346 I347 F511 L512 A515R339-V343 WeakPolarHBondContact O-CG2 3.48Å; R339-V343 PolarHBondContact O-N 3.45Å; A341-V343 VanDerWaalsContact C-N 3.33Å; A341-V343 PolarHBondContact O-N 3.03Å; V343-A345 PolarHBondContact O-N 3.23Å; V343-Y346 PolarHBondContact O-N 3Å; V343-I347 HydrophobicContact CG1-CG1 4.35Å; V343-I347 WeakPolarHBondContact O-CG1 3.12Å; V343-I347 PolarHBondContact O-N 3.31Å; V343-I347 VanDerWaalsContact O-N 3.1Å; V343-F511 HydrophobicContact CG2-CB 4.07Å; V343-F511 WeakPolarHBondContact CG2-O 3.48Å; V343-L512 HydrophobicContact CG1-CD2 4.18Å; V343-A515 HydrophobicContact CB-CB 3.99Å; V343-A515 HydrophobicContact CG1-CB 4.27Å; V343-A515 HydrophobicContact CG2-CB 3.42Å; V343-A515 VanDerWaalsContact CG2-CB 3.42Å
344Y94.2Very high92.4Very high2 Ų230.1 Ų30.11%0.00816%0.16CC..Hα-helixtrans-56.7-38.1175.3-81-98.8000112.6F224 V231 M294 V297 V301 V340 A341 E342 Y346 I347F224-Y344 WeakPolarHBondContact CD2-OH 3.09Å; F224-Y344 HydrophobicContact CE1-CE1 4.36Å; F224-Y344 HydrophobicContact CE2-CE2 4.42Å; F224-Y344 HydrophobicContact CZ-CE1 4.4Å; V231-Y344 HydrophobicContact CG2-CD1 4.12Å; V231-Y344 HydrophobicContact CG2-CE1 3.8Å; M294-Y344 WeakPolarHBondContact CB-O 3.49Å; V297-Y344 HydrophobicContact CB-CD1 4.29Å; V297-Y344 HydrophobicContact CG1-CD1 3.55Å; V297-Y344 HydrophobicContact CG1-CE1 3.75Å; V297-Y344 HydrophobicContact CG1-CG 4.4Å; V301-Y344 HydrophobicContact CB-CE2 4.39Å; V301-Y344 HydrophobicContact CG1-CE2 4.17Å; V301-Y344 HydrophobicContact CG2-CD2 4.2Å; V301-Y344 HydrophobicContact CG2-CE1 4.32Å; V301-Y344 HydrophobicContact CG2-CE2 3.71Å; V340-Y344 WeakPolarHBondContact O-CD2 3.45Å; A341-Y344 WeakPolarHBondContact O-CB 3.4Å; A341-Y344 PolarHBondContact O-N 2.94Å; E342-Y344 PolarHBondContact O-N 3.1Å; E342-Y344 VanDerWaalsContact O-N 3.16Å; Y344-Y346 PolarHBondContact O-N 3.36Å; Y344-Y346 VanDerWaalsContact O-N 3.16Å; Y344-I347 HydrophobicContact CD1-CD1 3.65Å; Y344-I347 HydrophobicContact CE1-CD1 4.08Å; Y344-I347 HydrophobicContact CG-CD1 3.9Å; Y344-I347 PolarHBondContact O-N 3.44Å
345A92.1Very high92.6Very high12 Ų1231.6 Ų31.610%0.09916%0.163CC..Hα-helixtrans-61.3-23.5177.300000113.4F291 V295 E342 V343F291-A345 HydrophobicContact CE2-CB 4.02Å; F291-A345 HydrophobicContact CZ-CB 4.33Å; V295-A345 HydrophobicContact CG2-CB 3.74Å; E342-A345 VanDerWaalsContact O-CB 3.29Å; E342-A345 WeakPolarHBondContact O-CB 3.35Å; E342-A345 PolarHBondContact O-N 3.01Å; V343-A345 PolarHBondContact O-N 3.23Å
346Y92.1Very high92.5Very high75 Ų7529.5 Ų29.529%0.29415%0.15SC..Hα-helixtrans-109.1-5.9-175.9-61.3-68.8000114.5E342 V343 Y344 G348 M349 I350 L508E342-Y346 WeakPolarHBondContact O-CD2 3.47Å; V343-Y346 PolarHBondContact O-N 3Å; Y344-Y346 PolarHBondContact O-N 3.36Å; Y344-Y346 VanDerWaalsContact O-N 3.16Å; Y346-G348 VanDerWaalsContact C-N 3.28Å; Y346-G348 PolarHBondContact O-N 3.43Å; Y346-M349 WeakPolarHBondContact O-CB 3.06Å; Y346-M349 PolarHBondContact O-N 2.68Å; Y346-I350 WeakPolarHBondContact O-CG1 3.44Å; Y346-I350 PolarHBondContact O-N 3.19Å; Y346-L508 HydrophobicContact CD1-CD2 4.22Å; Y346-L508 HydrophobicContact CG-CD2 4.23Å
347I91.8Very high92.3Very high14 Ų1430.7 Ų30.77%0.07216%0.158CC..Hα-helixtrans-53.6-45.5179.3-72.1166.7000111.5F224 V231 I235 V343 Y344 M349 I350 V351F224-I347 HydrophobicContact CE1-CD1 3.54Å; F224-I347 HydrophobicContact CZ-CD1 3.51Å; F224-I347 HydrophobicContact CZ-CG1 4.38Å; V231-I347 HydrophobicContact CG1-CG2 4.19Å; I235-I347 HydrophobicContact CD1-CG2 4.06Å; I235-I347 HydrophobicContact CG1-CG2 4.18Å; V343-I347 HydrophobicContact CG1-CG1 4.35Å; V343-I347 WeakPolarHBondContact O-CG1 3.12Å; V343-I347 PolarHBondContact O-N 3.31Å; V343-I347 VanDerWaalsContact O-N 3.1Å; Y344-I347 HydrophobicContact CD1-CD1 3.65Å; Y344-I347 HydrophobicContact CE1-CD1 4.08Å; Y344-I347 HydrophobicContact CG-CD1 3.9Å; Y344-I347 PolarHBondContact O-N 3.44Å; I347-M349 VanDerWaalsContact C-N 3.27Å; I347-M349 PolarHBondContact O-N 3.36Å; I347-I350 WeakPolarHBondContact O-CB 3.48Å; I347-I350 PolarHBondContact O-N 2.86Å; I347-V351 HydrophobicContact CG2-CG2 4.41Å; I347-V351 WeakPolarHBondContact O-CG2 3.42Å; I347-V351 PolarHBondContact O-N 3Å
348G90.3Very high92.1Very high1 Ų134.6 Ų34.61%0.0118%0.184CC..Hα-helixtrans-56.6-44.2178.400000111.7Y346 V351 S352Y346-G348 VanDerWaalsContact C-N 3.28Å; Y346-G348 PolarHBondContact O-N 3.43Å; G348-V351 PolarHBondContact O-N 2.86Å; G348-S352 VanDerWaalsContact O-CB 3.28Å; G348-S352 WeakPolarHBondContact O-CB 3.31Å; G348-S352 PolarHBondContact O-N 3.21Å; G348-S352 PolarHBondContact O-OG 2.9Å
349M90.7Very high92Very high27 Ų2734.7 Ų34.713%0.13319%0.185CC..Hα-helixtrans-69.7-38.2179.4-165.2179.6176.600112.8Y346 I347 V351 S352 S353 F500 V504 L508Y346-M349 WeakPolarHBondContact O-CB 3.06Å; Y346-M349 PolarHBondContact O-N 2.68Å; I347-M349 VanDerWaalsContact C-N 3.27Å; I347-M349 PolarHBondContact O-N 3.36Å; M349-V351 VanDerWaalsContact C-N 3.34Å; M349-S352 PolarHBondContact O-N 3.33Å; M349-S353 WeakPolarHBondContact O-CB 3.42Å; M349-S353 PolarHBondContact O-N 3.01Å; M349-S353 PolarHBondContact O-OG 2.86Å; M349-F500 HydrophobicContact CE-CD1 4.14Å; M349-F500 HydrophobicContact CE-CE1 3.23Å; M349-F500 HydrophobicContact CE-CE2 4.46Å; M349-F500 HydrophobicContact CE-CZ 3.43Å; M349-F500 VanDerWaalsContact CE-CZ 3.43Å; M349-V504 HydrophobicContact CE-CB 3.66Å; M349-V504 HydrophobicContact CE-CG1 3.21Å; M349-V504 HydrophobicContact CE-CG2 4.02Å; M349-V504 HydrophobicContact SD-CG1 3.87Å; M349-L508 HydrophobicContact CB-CD1 4.28Å; M349-L508 HydrophobicContact CE-CD1 4.35Å; M349-L508 HydrophobicContact CG-CD1 3.84Å; M349-L508 HydrophobicContact SD-CD1 4.14Å; M349-L508 HydrophobicContact SD-CD2 4.28Å
350I90.8Very high91.9Very high37 Ų3730.2 Ų30.219%0.1917%0.168CC..Hα-helixtrans-57.9-48.9174.5-75.5155000110.7Y346 I347 S352 P354 L508 L512Y346-I350 WeakPolarHBondContact O-CG1 3.44Å; Y346-I350 PolarHBondContact O-N 3.19Å; I347-I350 WeakPolarHBondContact O-CB 3.48Å; I347-I350 PolarHBondContact O-N 2.86Å; I350-S352 VanDerWaalsContact C-N 3.34Å; I350-P354 WeakPolarHBondContact O-CD 3.11Å; I350-L508 HydrophobicContact CG1-CB 3.85Å; I350-L508 HydrophobicContact CG1-CD1 4.11Å; I350-L508 HydrophobicContact CG1-CD2 4.17Å; I350-L508 HydrophobicContact CG1-CG 4.26Å; I350-L512 HydrophobicContact CD1-CD1 3.88Å; I350-L512 HydrophobicContact CD1-CD2 3.73Å; I350-L512 HydrophobicContact CD1-CG 3.59Å; I350-L512 HydrophobicContact CG1-CD1 4.08Å; I350-L512 HydrophobicContact CG1-CG 4.31Å; I350-L512 HydrophobicContact CG2-CD1 3.74Å
351V90.9Very high91.8Very high74 Ų7432.1 Ų32.145%0.44818%0.178SC..Hα-helixtrans-70.4-35.2-178174.30000111I235 I347 G348 M349I235-V351 HydrophobicContact CD1-CG2 4.33Å; I235-V351 HydrophobicContact CG2-CG1 3.99Å; I347-V351 HydrophobicContact CG2-CG2 4.41Å; I347-V351 WeakPolarHBondContact O-CG2 3.42Å; I347-V351 PolarHBondContact O-N 3Å; G348-V351 PolarHBondContact O-N 2.86Å; M349-V351 VanDerWaalsContact C-N 3.34Å
352S91.1Very high91.7Very high1 Ų138.1 Ų38.11%0.00720%0.2CC..Hα-helixtrans-91.1-16.9-173.789.90000115.4K238 D242 G348 M349 I350 L355 Q356K238-S352 WeakPolarHBondContact CE-OG 3.33Å; D242-S352 WeakPolarHBondContact OD2-CB 3.39Å; D242-S352 PolarHBondContact OD2-OG 3.41Å; G348-S352 VanDerWaalsContact O-CB 3.28Å; G348-S352 WeakPolarHBondContact O-CB 3.31Å; G348-S352 PolarHBondContact O-N 3.21Å; G348-S352 PolarHBondContact O-OG 2.9Å; M349-S352 PolarHBondContact O-N 3.33Å; I350-S352 VanDerWaalsContact C-N 3.34Å; S352-L355 WeakPolarHBondContact O-CA 3.45Å; S352-L355 VanDerWaalsContact O-CB 3.31Å; S352-L355 WeakPolarHBondContact O-CB 3.48Å; S352-L355 PolarHBondContact O-N 3.03Å; S352-L355 VanDerWaalsContact O-N 3.11Å; S352-Q356 WeakPolarHBondContact O-CG 3.34Å; S352-Q356 PolarHBondContact O-N 3.36Å
353S90.9Very high91.8Very high2 Ų236.2 Ų36.21%0.01419%0.191CC..Hα-helixtrans-59.4-44.4178.3-61.40000113.6M349 L355 Q356 V357M349-S353 WeakPolarHBondContact O-CB 3.42Å; M349-S353 PolarHBondContact O-N 3.01Å; M349-S353 PolarHBondContact O-OG 2.86Å; S353-L355 VanDerWaalsContact C-N 3.3Å; S353-L355 PolarHBondContact O-N 3.4Å; S353-Q356 PolarHBondContact O-N 2.89Å; S353-V357 WeakPolarHBondContact O-CG2 3.32Å; S353-V357 PolarHBondContact O-N 2.89Å
354P90.5Very high91.7Very high73 Ų7336 Ų3647%0.47419%0.189SC..Hα-helixtrans-61.4-38.9173.4-23.334.7000112.7I350 Q356 V357 C358I350-P354 WeakPolarHBondContact O-CD 3.11Å; P354-Q356 VanDerWaalsContact C-N 3.35Å; P354-Q356 PolarHBondContact O-N 3.48Å; P354-V357 PolarHBondContact O-N 3.37Å; P354-C358 PolarHBondContact O-N 3.09Å; P354-C358 PolarHBondContact O-SG 3.37Å; P354-C358 VanDerWaalsContact O-SG 3.34Å
355L91.1Very high91.7Very high63 Ų6341.5 Ų41.533%0.3321%0.211SC..Hα-helixtrans-60.6-45175.5177.467.8000110.9V239 S352 S353 V357 C358 L359V239-L355 HydrophobicContact CG1-CD2 4.17Å; V239-L355 HydrophobicContact CG2-CD2 4.38Å; S352-L355 WeakPolarHBondContact O-CA 3.45Å; S352-L355 VanDerWaalsContact O-CB 3.31Å; S352-L355 WeakPolarHBondContact O-CB 3.48Å; S352-L355 PolarHBondContact O-N 3.03Å; S352-L355 VanDerWaalsContact O-N 3.11Å; S353-L355 VanDerWaalsContact C-N 3.3Å; S353-L355 PolarHBondContact O-N 3.4Å; L355-V357 PolarHBondContact O-N 3.01Å; L355-C358 PolarHBondContact O-N 3.47Å; L355-L359 HydrophobicContact CD1-CD1 4.11Å; L355-L359 HydrophobicContact CD1-CG 4.17Å; L355-L359 HydrophobicContact CG-CD1 3.93Å; L355-L359 HydrophobicContact CG-CG 4.37Å; L355-L359 WeakPolarHBondContact O-CB 3.06Å; L355-L359 VanDerWaalsContact O-CG 3.28Å; L355-L359 WeakPolarHBondContact O-CG 3.19Å; L355-L359 PolarHBondContact O-N 2.88Å
356Q92Very high91.7Very high4 Ų446 Ų462%0.01923%0.23CC..Hα-helixtrans-60.8-43176.5-66.8-178-3.600112.1D242 F246 S352 S353 P354 L359 A360 P501D242-Q356 HydrophobicContact CB-CG 4.47Å; D242-Q356 PolarHBondContact OD1-NE2 3.06Å; F246-Q356 HydrophobicContact CE2-CB 4.07Å; F246-Q356 HydrophobicContact CE2-CG 4.14Å; F246-Q356 HydrophobicContact CZ-CB 4.31Å; F246-Q356 VanDerWaalsContact CZ-O 3.24Å; F246-Q356 WeakPolarHBondContact CZ-O 3.37Å; S352-Q356 WeakPolarHBondContact O-CG 3.34Å; S352-Q356 PolarHBondContact O-N 3.36Å; S353-Q356 PolarHBondContact O-N 2.89Å; P354-Q356 VanDerWaalsContact C-N 3.35Å; P354-Q356 PolarHBondContact O-N 3.48Å; Q356-L359 PolarHBondContact O-N 2.85Å; Q356-A360 VanDerWaalsContact O-CB 3.28Å; Q356-A360 WeakPolarHBondContact O-CB 3.42Å; Q356-A360 PolarHBondContact O-N 2.84Å; Q356-P501 HydrophobicContact CB-CB 4.42Å; Q356-P501 HydrophobicContact CB-CG 4.21Å
357V90.3Very high91.6Very high26 Ų2643.9 Ų43.916%0.15823%0.225CC..Hα-helixtrans-62.8-46.6177.2172.30000110.8S353 P354 L355 A360 I361 L498 P501 M502 I505S353-V357 WeakPolarHBondContact O-CG2 3.32Å; S353-V357 PolarHBondContact O-N 2.89Å; P354-V357 PolarHBondContact O-N 3.37Å; L355-V357 PolarHBondContact O-N 3.01Å; V357-A360 PolarHBondContact O-N 3.49Å; V357-I361 HydrophobicContact CG1-CD1 3.83Å; V357-I361 WeakPolarHBondContact O-CG1 3.22Å; V357-I361 PolarHBondContact O-N 3.14Å; V357-L498 HydrophobicContact CB-CD1 4.28Å; V357-L498 HydrophobicContact CG1-CD1 4.02Å; V357-L498 HydrophobicContact CG2-CD1 4.12Å; V357-P501 HydrophobicContact CG2-CB 4.21Å; V357-P501 HydrophobicContact CG2-CG 4.22Å; V357-M502 HydrophobicContact CG2-SD 4.14Å; V357-I505 HydrophobicContact CG2-CD1 4.31Å
358C91.4Very high91.6Very high83 Ų8343.3 Ų43.356%0.56122%0.222SC*.Hα-helixtrans-62.1-44.6177.5-69.70000112.2P354 L355 I361 Y362P354-C358 PolarHBondContact O-N 3.09Å; P354-C358 PolarHBondContact O-SG 3.37Å; P354-C358 VanDerWaalsContact O-SG 3.34Å; L355-C358 PolarHBondContact O-N 3.47Å; C358-I361 PolarHBondContact O-N 2.9Å; C358-Y362 VanDerWaalsContact O-CB 3.26Å; C358-Y362 WeakPolarHBondContact O-CB 3.36Å; C358-Y362 PolarHBondContact O-N 3.39Å
359L92.5Very high91.6Very high40 Ų4044.2 Ų44.221%0.20923%0.231CC..Hα-helixtrans-63.9-42.8177-72.1175000111.7F246 L355 Q356 Y362 F363F246-L359 HydrophobicContact CD1-CB 4.22Å; F246-L359 HydrophobicContact CD2-CB 4.08Å; F246-L359 HydrophobicContact CD2-CD1 3.86Å; F246-L359 HydrophobicContact CE1-CB 4.02Å; F246-L359 HydrophobicContact CE2-CB 3.9Å; F246-L359 HydrophobicContact CE2-CD1 4.12Å; F246-L359 HydrophobicContact CG-CB 4.25Å; F246-L359 HydrophobicContact CG-CD1 4.45Å; F246-L359 HydrophobicContact CZ-CB 3.87Å; L355-L359 HydrophobicContact CD1-CD1 4.11Å; L355-L359 HydrophobicContact CD1-CG 4.17Å; L355-L359 HydrophobicContact CG-CD1 3.93Å; L355-L359 HydrophobicContact CG-CG 4.37Å; L355-L359 WeakPolarHBondContact O-CB 3.06Å; L355-L359 VanDerWaalsContact O-CG 3.28Å; L355-L359 WeakPolarHBondContact O-CG 3.19Å; L355-L359 PolarHBondContact O-N 2.88Å; Q356-L359 PolarHBondContact O-N 2.85Å; L359-Y362 PolarHBondContact O-N 3.32Å; L359-F363 HydrophobicContact CB-CD2 4.4Å; L359-F363 HydrophobicContact CB-CE2 4.3Å; L359-F363 HydrophobicContact CD2-CE2 4.25Å; L359-F363 WeakPolarHBondContact O-CB 3.14Å; L359-F363 WeakPolarHBondContact O-CD2 3.42Å; L359-F363 PolarHBondContact O-N 3.12Å
360A92.1Very high91.6Very high0 Ų047.3 Ų47.30%025%0.254CS..Hα-helixtrans-62.9-45.2177.600000112.1F246 Q356 V357 L364 L498F246-A360 HydrophobicContact CE1-CB 3.82Å; F246-A360 HydrophobicContact CZ-CB 3.96Å; Q356-A360 VanDerWaalsContact O-CB 3.28Å; Q356-A360 WeakPolarHBondContact O-CB 3.42Å; Q356-A360 PolarHBondContact O-N 2.84Å; V357-A360 PolarHBondContact O-N 3.49Å; A360-L364 VanDerWaalsContact O-CB 3.24Å; A360-L364 WeakPolarHBondContact O-CB 3.26Å; A360-L364 WeakPolarHBondContact O-CD1 3.35Å; A360-L364 WeakPolarHBondContact O-CG 3.26Å; A360-L364 PolarHBondContact O-N 3.05Å; A360-L498 HydrophobicContact CB-CB 4.15Å; A360-L498 HydrophobicContact CB-CD1 4.03Å
361I91.8Very high91.6Very high47 Ų4746 Ų4624%0.24125%0.248CC..Hα-helixtrans-65-42.5177.2-67.8170.4000110.7V357 C358 L364 Y365 V372 V376V357-I361 HydrophobicContact CG1-CD1 3.83Å; V357-I361 WeakPolarHBondContact O-CG1 3.22Å; V357-I361 PolarHBondContact O-N 3.14Å; C358-I361 PolarHBondContact O-N 2.9Å; I361-L364 PolarHBondContact O-N 3.21Å; I361-Y365 VanDerWaalsContact O-CB 3.32Å; I361-Y365 WeakPolarHBondContact O-CB 3.31Å; I361-Y365 PolarHBondContact O-N 3.39Å; I361-V372 HydrophobicContact CG2-CG1 4.3Å; I361-V376 HydrophobicContact CD1-CG2 4.24Å; I361-V376 HydrophobicContact CG1-CG2 4.22Å
362Y93.8Very high91.5Very high131 Ų13142.8 Ų42.851%0.51423%0.228SC..Hα-helixtrans-60.6-50.9177.8174.5-99.7000112C358 L359 Y365 Q366C358-Y362 VanDerWaalsContact O-CB 3.26Å; C358-Y362 WeakPolarHBondContact O-CB 3.36Å; C358-Y362 PolarHBondContact O-N 3.39Å; L359-Y362 PolarHBondContact O-N 3.32Å; Y362-Y365 WeakPolarHBondContact O-CB 3.48Å; Y362-Y365 PolarHBondContact O-N 3.13Å; Y362-Q366 VanDerWaalsContact CZ-NE2 3.27Å; Y362-Q366 PolarHBondContact O-N 2.78Å; Y362-Q366 VanDerWaalsContact O-N 3.12Å; Y362-Q366 PolarHBondContact OH-NE2 2.9Å
363F93.6Very high91.4Very high38 Ų3848.2 Ų48.217%0.16725%0.252CS..Hα-helixtrans-68.4-34.9178.9-70.8-53.1000112.5F246 L359 Y365 Q366 V367 L494F246-F363 HydrophobicContact CB-CD2 4.37Å; F246-F363 HydrophobicContact CB-CE2 3.86Å; F246-F363 AromaticContact CD1-CD2 3.63Å; F246-F363 HydrophobicContact CD1-CD2 3.63Å; F246-F363 AromaticContact CD1-CE2 3.92Å; F246-F363 HydrophobicContact CD1-CE2 3.92Å; F246-F363 HydrophobicContact CE1-CD2 4.33Å; F246-F363 HydrophobicContact CG-CD2 4.27Å; F246-F363 HydrophobicContact CG-CE2 4.08Å; L359-F363 HydrophobicContact CB-CD2 4.4Å; L359-F363 HydrophobicContact CB-CE2 4.3Å; L359-F363 HydrophobicContact CD2-CE2 4.25Å; L359-F363 WeakPolarHBondContact O-CB 3.14Å; L359-F363 WeakPolarHBondContact O-CD2 3.42Å; L359-F363 PolarHBondContact O-N 3.12Å; F363-Y365 VanDerWaalsContact C-N 3.31Å; F363-Y365 PolarHBondContact O-N 2.91Å; F363-Q366 PolarHBondContact O-N 2.98Å; F363-V367 WeakPolarHBondContact O-CG2 3.47Å; F363-V367 PolarHBondContact O-N 2.84Å; F363-L494 HydrophobicContact CB-CD1 3.72Å; F363-L494 HydrophobicContact CB-CD2 3.77Å; F363-L494 HydrophobicContact CB-CG 4.41Å; F363-L494 HydrophobicContact CD2-CD2 4.45Å; F363-L494 HydrophobicContact CG-CD2 4.47Å
364L92.1Very high91.2Very high5 Ų549.3 Ų49.33%0.02626%0.263CS..Hα-helixtrans-63.7-39.8172.4-78.9169.1000111.2A360 I361 Q366 V367 V368 V372 L494 M495A360-L364 VanDerWaalsContact O-CB 3.24Å; A360-L364 WeakPolarHBondContact O-CB 3.26Å; A360-L364 WeakPolarHBondContact O-CD1 3.35Å; A360-L364 WeakPolarHBondContact O-CG 3.26Å; A360-L364 PolarHBondContact O-N 3.05Å; I361-L364 PolarHBondContact O-N 3.21Å; L364-Q366 PolarHBondContact O-N 3.36Å; L364-V367 PolarHBondContact O-N 3.31Å; L364-V368 VanDerWaalsContact O-CG2 3.27Å; L364-V368 WeakPolarHBondContact O-CG2 3.36Å; L364-V368 PolarHBondContact O-N 2.83Å; L364-V372 HydrophobicContact CB-CG1 4.07Å; L364-V372 HydrophobicContact CB-CG2 3.55Å; L364-V372 WeakPolarHBondContact O-CG2 3.39Å; L364-L494 HydrophobicContact CD1-CB 4.39Å; L364-L494 HydrophobicContact CD2-CB 3.6Å; L364-L494 HydrophobicContact CD2-CD1 4.06Å; L364-L494 HydrophobicContact CG-CB 3.71Å; L364-L494 HydrophobicContact CG-CD1 4.16Å; L364-M495 HydrophobicContact CD1-CG 4.09Å; L364-M495 HydrophobicContact CD2-CE 4.24Å; L364-M495 HydrophobicContact CD2-CG 4.02Å
365Y93.8Very high90.9Very high118 Ų11846 Ų4646%0.46324%0.243SC..Hα-helixtrans-64.5-33.1178.8178.6-96.2000111.4I361 Y362 F363 V367 G369 P370 F373I361-Y365 VanDerWaalsContact O-CB 3.32Å; I361-Y365 WeakPolarHBondContact O-CB 3.31Å; I361-Y365 PolarHBondContact O-N 3.39Å; Y362-Y365 WeakPolarHBondContact O-CB 3.48Å; Y362-Y365 PolarHBondContact O-N 3.13Å; F363-Y365 VanDerWaalsContact C-N 3.31Å; F363-Y365 PolarHBondContact O-N 2.91Å; Y365-V367 VanDerWaalsContact C-N 3.29Å; Y365-V367 PolarHBondContact O-N 3.36Å; Y365-G369 WeakPolarHBondContact CD2-O 3.43Å; Y365-G369 WeakPolarHBondContact O-CA 3.38Å; Y365-G369 PolarHBondContact O-N 2.96Å; Y365-P370 HydrophobicContact CE2-CG 4.44Å; Y365-F373 HydrophobicContact CD2-CE2 4.21Å; Y365-F373 HydrophobicContact CE2-CE2 4.19Å
366Q92.4Very high90.6Very high106 Ų10644.6 Ų44.650%0.49524%0.236SC..Hα-helixtrans-66.6-28.9173.1-69.8-174.4-27.100113.5Y362 F363 L364Y362-Q366 VanDerWaalsContact CZ-NE2 3.27Å; Y362-Q366 PolarHBondContact O-N 2.78Å; Y362-Q366 VanDerWaalsContact O-N 3.12Å; Y362-Q366 PolarHBondContact OH-NE2 2.9Å; F363-Q366 PolarHBondContact O-N 2.98Å; L364-Q366 PolarHBondContact O-N 3.36Å
367V90.4Very high90.3Very high32 Ų3248.4 Ų48.419%0.19426%0.26CS..Hα-helixtrans-94.3-44.9-174.2179.50000112.3F363 L364 Y365 T487 V490 S491 L494F363-V367 WeakPolarHBondContact O-CG2 3.47Å; F363-V367 PolarHBondContact O-N 2.84Å; L364-V367 PolarHBondContact O-N 3.31Å; Y365-V367 VanDerWaalsContact C-N 3.29Å; Y365-V367 PolarHBondContact O-N 3.36Å; V367-T487 HydrophobicContact CG1-CG2 3.91Å; V367-V490 HydrophobicContact CG2-CG1 4.02Å; V367-S491 VanDerWaalsContact CG1-OG 3.27Å; V367-S491 WeakPolarHBondContact CG1-OG 3.33Å; V367-L494 HydrophobicContact CG2-CD1 4.38Å
368V90.7Very high90.1Very high2 Ų249.6 Ų49.61%0.01226%0.263CS..Hα-helixtrans-117.38-177.1-66.10000113.8L364 S371 V372 V470 Y474 T487 S491L364-V368 VanDerWaalsContact O-CG2 3.27Å; L364-V368 WeakPolarHBondContact O-CG2 3.36Å; L364-V368 PolarHBondContact O-N 2.83Å; V368-S371 WeakPolarHBondContact O-CB 3.41Å; V368-S371 PolarHBondContact O-N 2.94Å; V368-S371 PolarHBondContact O-OG 2.91Å; V368-V372 HydrophobicContact CG2-CG2 3.4Å; V368-V470 HydrophobicContact CB-CG1 4.34Å; V368-V470 HydrophobicContact CG1-CG1 4.45Å; V368-V470 HydrophobicContact CG2-CG1 3.84Å; V368-Y474 HydrophobicContact CB-CD2 3.96Å; V368-Y474 HydrophobicContact CB-CE2 4.38Å; V368-Y474 HydrophobicContact CB-CG 4.43Å; V368-Y474 HydrophobicContact CG1-CD2 4.29Å; V368-Y474 HydrophobicContact CG1-CG 4.43Å; V368-Y474 WeakPolarHBondContact O-CD2 3.36Å; V368-T487 HydrophobicContact CG1-CG2 3.51Å; V368-S491 VanDerWaalsContact CG1-OG 3.31Å; V368-S491 WeakPolarHBondContact CG1-OG 3.49Å
369G90.8Very high89.6Confident20 Ų2047 Ų4721%0.20624%0.243CC..G310 helixtrans63-144.4174.700000114Y365 S371 V372Y365-G369 WeakPolarHBondContact CD2-O 3.43Å; Y365-G369 WeakPolarHBondContact O-CA 3.38Å; Y365-G369 PolarHBondContact O-N 2.96Å; G369-S371 PolarHBondContact O-N 3.17Å; G369-S371 VanDerWaalsContact O-N 3.1Å; G369-V372 WeakPolarHBondContact O-CG2 3.24Å; G369-V372 PolarHBondContact O-N 2.95Å
370P90.9Very high89.1Confident92 Ų9249.2 Ų49.260%0.59726%0.258SS*.G310 helixtrans-59.7-18.9-179.7-24.935.2000115.2Y365 V372 F373Y365-P370 HydrophobicContact CE2-CG 4.44Å; P370-V372 PolarHBondContact O-N 3.31Å; P370-V372 VanDerWaalsContact O-N 3.11Å; P370-F373 WeakPolarHBondContact O-CB 3.41Å; P370-F373 WeakPolarHBondContact O-CD2 3.49Å; P370-F373 PolarHBondContact O-N 3.33Å
371S89.8Confident88.8Confident10 Ų1054.6 Ų54.67%0.0729%0.286CS..G310 helixtrans-59.3-23.3-179.7-53.30000113.5V368 G369 F373 G374 T473 Y474V368-S371 WeakPolarHBondContact O-CB 3.41Å; V368-S371 PolarHBondContact O-N 2.94Å; V368-S371 PolarHBondContact O-OG 2.91Å; G369-S371 PolarHBondContact O-N 3.17Å; G369-S371 VanDerWaalsContact O-N 3.1Å; S371-F373 PolarHBondContact O-N 2.8Å; S371-G374 PolarHBondContact O-N 3.17Å; S371-G374 VanDerWaalsContact O-N 3.1Å; S371-T473 WeakPolarHBondContact CB-OG1 3.47Å; S371-Y474 WeakPolarHBondContact OG-CA 3.45Å; S371-Y474 PolarHBondContact OG-N 2.87Å
372V89.8Confident88.4Confident5 Ų553.7 Ų53.73%0.0328%0.282CS..Hα-helixtrans-54.2-38.8171.7-178.40000111.9I361 L364 V368 G369 P370 G374 G375 V376I361-V372 HydrophobicContact CG2-CG1 4.3Å; L364-V372 HydrophobicContact CB-CG1 4.07Å; L364-V372 HydrophobicContact CB-CG2 3.55Å; L364-V372 WeakPolarHBondContact O-CG2 3.39Å; V368-V372 HydrophobicContact CG2-CG2 3.4Å; G369-V372 WeakPolarHBondContact O-CG2 3.24Å; G369-V372 PolarHBondContact O-N 2.95Å; P370-V372 PolarHBondContact O-N 3.31Å; P370-V372 VanDerWaalsContact O-N 3.11Å; V372-G374 PolarHBondContact O-N 3.3Å; V372-G375 PolarHBondContact O-N 2.63Å; V372-G375 VanDerWaalsContact O-N 3.07Å; V372-V376 HydrophobicContact CG1-CG2 3.84Å; V372-V376 WeakPolarHBondContact O-CG2 3.46Å; V372-V376 PolarHBondContact O-N 3.4Å
373F88.7Confident87.8Confident115 Ų11551.3 Ų51.350%0.50428%0.281SS..Hα-helixtrans-64.8-29.8-177.7-66.1-65.7000112Y365 P370 S371 V376 V377Y365-F373 HydrophobicContact CD2-CE2 4.21Å; Y365-F373 HydrophobicContact CE2-CE2 4.19Å; P370-F373 WeakPolarHBondContact O-CB 3.41Å; P370-F373 WeakPolarHBondContact O-CD2 3.49Å; P370-F373 PolarHBondContact O-N 3.33Å; S371-F373 PolarHBondContact O-N 2.8Å; F373-V376 PolarHBondContact O-N 2.79Å; F373-V377 VanDerWaalsContact O-CB 3.32Å; F373-V377 WeakPolarHBondContact O-CB 3.22Å; F373-V377 WeakPolarHBondContact O-CG2 3.26Å; F373-V377 PolarHBondContact O-N 3.2Å
374G86.4Confident87.5Confident25 Ų2553.2 Ų53.226%0.25830%0.297SS..Hα-helixtrans-60-47.3170.800000111.8S371 V372 F378S371-G374 PolarHBondContact O-N 3.17Å; S371-G374 VanDerWaalsContact O-N 3.1Å; V372-G374 PolarHBondContact O-N 3.3Å; G374-F378 WeakPolarHBondContact O-CB 3.48Å; G374-F378 PolarHBondContact O-N 2.89Å; G374-F378 VanDerWaalsContact O-N 3.08Å
375G85.4Confident87.2Confident4 Ų455.9 Ų55.94%0.04131%0.311CS..Hα-helixtrans-65.9-41.6175.700000113.4V372 F378 L379V372-G375 PolarHBondContact O-N 2.63Å; V372-G375 VanDerWaalsContact O-N 3.07Å; G375-F378 PolarHBondContact O-N 3.42Å; G375-L379 VanDerWaalsContact O-CB 3.28Å; G375-L379 WeakPolarHBondContact O-CB 3.4Å; G375-L379 PolarHBondContact O-N 2.88Å
376V83.1Confident86.7Confident33 Ų3351.9 Ų51.920%0.230%0.298CS..Hα-helixtrans-65.6-44.4177.9172.70000111.1I361 V372 F373 L379 V380I361-V376 HydrophobicContact CD1-CG2 4.24Å; I361-V376 HydrophobicContact CG1-CG2 4.22Å; V372-V376 HydrophobicContact CG1-CG2 3.84Å; V372-V376 WeakPolarHBondContact O-CG2 3.46Å; V372-V376 PolarHBondContact O-N 3.4Å; F373-V376 PolarHBondContact O-N 2.79Å; V376-L379 CarbonylContact O-C 3.6Å; V376-L379 PolarHBondContact O-N 2.85Å; V376-V380 HydrophobicContact CG1-CG2 4.33Å; V376-V380 VanDerWaalsContact O-CG2 3.3Å; V376-V380 WeakPolarHBondContact O-CG2 3.24Å; V376-V380 PolarHBondContact O-N 2.65Å
377V86.7Confident86.4Confident84 Ų8454 Ų5451%0.50931%0.306SS..Hα-helixtrans-61.3-46.8176.5168.40000110.4F373 L379 V380 L381F373-V377 VanDerWaalsContact O-CB 3.32Å; F373-V377 WeakPolarHBondContact O-CB 3.22Å; F373-V377 WeakPolarHBondContact O-CG2 3.26Å; F373-V377 PolarHBondContact O-N 3.2Å; V377-L379 VanDerWaalsContact C-N 3.29Å; V377-L379 PolarHBondContact O-N 2.82Å; V377-V380 PolarHBondContact O-N 3.4Å; V377-L381 HydrophobicContact CG1-CD1 4.14Å; V377-L381 HydrophobicContact CG1-CG 4.45Å; V377-L381 WeakPolarHBondContact O-CG 3.41Å; V377-L381 PolarHBondContact O-N 2.9Å
378F86Confident86.3Confident52 Ų5260.1 Ų60.123%0.22833%0.325CS..Hα-helixtrans-57.6-43.7175.2-179.6-94.7000111.6G374 G375 L381 L382 L465 I466G374-F378 WeakPolarHBondContact O-CB 3.48Å; G374-F378 PolarHBondContact O-N 2.89Å; G374-F378 VanDerWaalsContact O-N 3.08Å; G375-F378 PolarHBondContact O-N 3.42Å; F378-L381 WeakPolarHBondContact O-CB 3.47Å; F378-L381 PolarHBondContact O-N 2.61Å; F378-L382 HydrophobicContact CD1-CD1 4.19Å; F378-L382 HydrophobicContact CE1-CD1 3.76Å; F378-L382 HydrophobicContact CE1-CD2 4.48Å; F378-L382 HydrophobicContact CE1-CG 4.19Å; F378-L382 HydrophobicContact CZ-CD1 4.47Å; F378-L382 HydrophobicContact CZ-CD2 4.41Å; F378-L382 PolarHBondContact O-N 3.03Å; F378-L382 VanDerWaalsContact O-N 3.14Å; F378-L465 HydrophobicContact CE1-CB 3.81Å; F378-L465 HydrophobicContact CE2-CB 4.46Å; F378-L465 HydrophobicContact CZ-CB 3.63Å; F378-L465 HydrophobicContact CZ-CD1 3.8Å; F378-L465 HydrophobicContact CZ-CG 4.36Å; F378-I466 HydrophobicContact CD1-CD1 4.48Å; F378-I466 HydrophobicContact CD1-CG1 3.53Å; F378-I466 HydrophobicContact CE1-CG1 3.91Å
379L81.6Confident86.1Confident28 Ų2860.3 Ų60.315%0.14733%0.326CS..Hα-helixtrans-65.7-38.4177.5-175.1153.7000112.5G375 V376 V377 L382 I466 L498 M502G375-L379 VanDerWaalsContact O-CB 3.28Å; G375-L379 WeakPolarHBondContact O-CB 3.4Å; G375-L379 PolarHBondContact O-N 2.88Å; V376-L379 CarbonylContact O-C 3.6Å; V376-L379 PolarHBondContact O-N 2.85Å; V377-L379 VanDerWaalsContact C-N 3.29Å; V377-L379 PolarHBondContact O-N 2.82Å; L379-L382 WeakPolarHBondContact O-CB 3.34Å; L379-L382 PolarHBondContact O-N 2.81Å; L379-I466 HydrophobicContact CB-CD1 4.37Å; L379-I466 HydrophobicContact CD1-CD1 4.03Å; L379-L498 HydrophobicContact CD1-CD2 4.14Å; L379-M502 HydrophobicContact CD1-CG 4.46Å; L379-M502 HydrophobicContact CD2-CE 3.51Å; L379-M502 HydrophobicContact CD2-CG 4.31Å; L379-M502 HydrophobicContact CD2-SD 4.16Å
380V82.2Confident85.8Confident86 Ų8663.4 Ų63.452%0.52134%0.341SS..Hα-helixtrans-64.7-39.3172.9170.30000111V376 V377 L382 V383 P384V376-V380 HydrophobicContact CG1-CG2 4.33Å; V376-V380 VanDerWaalsContact O-CG2 3.3Å; V376-V380 WeakPolarHBondContact O-CG2 3.24Å; V376-V380 PolarHBondContact O-N 2.65Å; V377-V380 PolarHBondContact O-N 3.4Å; V380-L382 VanDerWaalsContact C-N 3.26Å; V380-L382 PolarHBondContact O-N 3.29Å; V380-V383 WeakPolarHBondContact O-CB 3.19Å; V380-V383 PolarHBondContact O-N 3.37Å; V380-P384 WeakPolarHBondContact O-CD 3.44Å
381L85.2Confident85.7Confident113 Ų11361 Ų6159%0.59233%0.326SS*.Hα-helixtrans-64.7-28176.2-71.3172.5000113.1V377 F378 V383 P384V377-L381 HydrophobicContact CG1-CD1 4.14Å; V377-L381 HydrophobicContact CG1-CG 4.45Å; V377-L381 WeakPolarHBondContact O-CG 3.41Å; V377-L381 PolarHBondContact O-N 2.9Å; F378-L381 WeakPolarHBondContact O-CB 3.47Å; F378-L381 PolarHBondContact O-N 2.61Å; L381-V383 PolarHBondContact O-N 3.24Å; L381-P384 WeakPolarHBondContact O-CD 3.39Å
382L82.8Confident85.8Confident28 Ų2863 Ų6315%0.14734%0.337CS..Hα-helixtrans-68.7-22.4173.2-68176.1000112.9F378 L379 V380 L385 N386 A462F378-L382 HydrophobicContact CD1-CD1 4.19Å; F378-L382 HydrophobicContact CE1-CD1 3.76Å; F378-L382 HydrophobicContact CE1-CD2 4.48Å; F378-L382 HydrophobicContact CE1-CG 4.19Å; F378-L382 HydrophobicContact CZ-CD1 4.47Å; F378-L382 HydrophobicContact CZ-CD2 4.41Å; F378-L382 PolarHBondContact O-N 3.03Å; F378-L382 VanDerWaalsContact O-N 3.14Å; L379-L382 WeakPolarHBondContact O-CB 3.34Å; L379-L382 PolarHBondContact O-N 2.81Å; V380-L382 VanDerWaalsContact C-N 3.26Å; V380-L382 PolarHBondContact O-N 3.29Å; L382-L385 HydrophobicContact CD2-CD2 4.26Å; L382-N386 VanDerWaalsContact O-CB 3.27Å; L382-N386 WeakPolarHBondContact O-CB 3.44Å; L382-N386 VanDerWaalsContact O-CG 3.24Å; L382-N386 PolarHBondContact O-N 3.31Å; L382-N386 PolarHBondContact O-ND2 3.46Å; L382-N386 VanDerWaalsContact O-ND2 3.13Å; L382-A462 HydrophobicContact CD1-CB 3.49Å; L382-A462 VanDerWaalsContact CD1-CB 3.49Å
383V82.3Confident85.7Confident81 Ų8165 Ų6549%0.49135%0.345SS..Hα-helixtrans-67.4-53.2-178.7176.20000111.9V380 L381 L385 N386 F387V380-V383 WeakPolarHBondContact O-CB 3.19Å; V380-V383 PolarHBondContact O-N 3.37Å; L381-V383 PolarHBondContact O-N 3.24Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 3.47Å; V383-N386 PolarHBondContact O-N 3.42Å; V383-F387 PolarHBondContact O-N 3.11Å
384P86.6Confident85.8Confident79 Ų7967.8 Ų67.851%0.51335%0.353SS..Hα-helixtrans-58.9-40.2173.3-25.233.1000113.6V380 L381 F387 W388V380-P384 WeakPolarHBondContact O-CD 3.44Å; L381-P384 WeakPolarHBondContact O-CD 3.39Å; P384-F387 WeakPolarHBondContact O-CB 3.42Å; P384-F387 PolarHBondContact O-N 2.89Å; P384-W388 PolarHBondContact O-N 2.86Å
385L85.8Confident86.1Confident60 Ų6072.9 Ų72.931%0.31437%0.367SS..Hα-helixtrans-61.6-46.6178.3-179.961.6000111.2L382 V383 F387 W388 I389 L458L382-L385 HydrophobicContact CD2-CD2 4.26Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 3.47Å; L385-F387 VanDerWaalsContact C-N 3.32Å; L385-F387 PolarHBondContact O-N 3.04Å; L385-W388 HydrophobicContact CD1-CE3 4.28Å; L385-W388 PolarHBondContact O-N 3.43Å; L385-I389 HydrophobicContact CD1-CD1 4.04Å; L385-I389 HydrophobicContact CD1-CG1 4.37Å; L385-I389 HydrophobicContact CG-CD1 3.97Å; L385-I389 WeakPolarHBondContact O-CG1 3.18Å; L385-I389 PolarHBondContact O-N 3.43Å; L385-L458 HydrophobicContact CD2-CD1 3.99Å; L385-L458 HydrophobicContact CD2-CD2 4.32Å; L385-L458 HydrophobicContact CG-CD1 4.43Å
386N83.9Confident86.5Confident34 Ų3473.7 Ų73.718%0.18237%0.371CS..Hα-helixtrans-60.5-40.8175-81.1-33.9000112L382 V383 T390 W459L382-N386 VanDerWaalsContact O-CB 3.27Å; L382-N386 WeakPolarHBondContact O-CB 3.44Å; L382-N386 VanDerWaalsContact O-CG 3.24Å; L382-N386 PolarHBondContact O-N 3.31Å; L382-N386 PolarHBondContact O-ND2 3.46Å; L382-N386 VanDerWaalsContact O-ND2 3.13Å; V383-N386 PolarHBondContact O-N 3.42Å; N386-T390 VanDerWaalsContact O-CB 3.24Å; N386-T390 WeakPolarHBondContact O-CB 3.12Å; N386-T390 PolarHBondContact O-N 2.94Å; N386-T390 PolarHBondContact O-OG1 2.66Å; N386-W459 WeakPolarHBondContact ND2-CZ2 3.47Å; N386-W459 PolarHBondContact OD1-NE1 3.41Å
387F85.1Confident86.9Confident151 Ų15175.5 Ų75.566%0.66238%0.377SS*.Hα-helixtrans-62.6-44176.4179.7-96.6000112.1V383 P384 L385 S391V383-F387 PolarHBondContact O-N 3.11Å; P384-F387 WeakPolarHBondContact O-CB 3.42Å; P384-F387 PolarHBondContact O-N 2.89Å; L385-F387 VanDerWaalsContact C-N 3.32Å; L385-F387 PolarHBondContact O-N 3.04Å; F387-S391 WeakPolarHBondContact O-CB 3.26Å; F387-S391 PolarHBondContact O-N 3.4Å; F387-S391 PolarHBondContact O-OG 2.83Å
388W89Confident87.2Confident160 Ų16076.1 Ų76.161%0.60638%0.376SS*.Hα-helixtrans-63.4-47.7177.8-178.669.8000112P384 L385 T390 S391 L392P384-W388 PolarHBondContact O-N 2.86Å; L385-W388 HydrophobicContact CD1-CE3 4.28Å; L385-W388 PolarHBondContact O-N 3.43Å; W388-T390 PolarHBondContact O-N 3.05Å; W388-S391 WeakPolarHBondContact O-CB 3.01Å; W388-S391 PolarHBondContact O-N 2.86Å; W388-L392 HydrophobicContact CD2-CD1 4.1Å; W388-L392 HydrophobicContact CE3-CD1 4.26Å; W388-L392 HydrophobicContact CH2-CD1 3.94Å; W388-L392 HydrophobicContact CZ2-CD1 3.75Å; W388-L392 HydrophobicContact CZ3-CD1 4.19Å; W388-L392 PolarHBondContact O-N 3.24Å
389I86Confident87.6Confident6 Ų680.4 Ų80.43%0.03139%0.394CS..Hα-helixtrans-65-43178.9-60.2164.7000111.4L385 S391 L392 Q393 L451 V455 L458L385-I389 HydrophobicContact CD1-CD1 4.04Å; L385-I389 HydrophobicContact CD1-CG1 4.37Å; L385-I389 HydrophobicContact CG-CD1 3.97Å; L385-I389 WeakPolarHBondContact O-CG1 3.18Å; L385-I389 PolarHBondContact O-N 3.43Å; I389-S391 PolarHBondContact O-N 3.4Å; I389-L392 PolarHBondContact O-N 3.32Å; I389-L392 VanDerWaalsContact O-N 3.15Å; I389-Q393 WeakPolarHBondContact O-CB 3.41Å; I389-Q393 PolarHBondContact O-N 3.12Å; I389-L451 HydrophobicContact CG2-CD1 4.08Å; I389-L451 HydrophobicContact CG2-CG 4.23Å; I389-V455 HydrophobicContact CB-CG2 4.32Å; I389-V455 HydrophobicContact CD1-CG2 4.42Å; I389-V455 HydrophobicContact CG2-CG2 3.2Å; I389-L458 HydrophobicContact CD1-CD1 3.39Å
390T85Confident88.1Confident85 Ų8579.1 Ų79.152%0.52139%0.387SS..Hα-helixtrans-59.2-38.2175.7-58.90000111N386 W388 Q393 R394N386-T390 VanDerWaalsContact O-CB 3.24Å; N386-T390 WeakPolarHBondContact O-CB 3.12Å; N386-T390 PolarHBondContact O-N 2.94Å; N386-T390 PolarHBondContact O-OG1 2.66Å; W388-T390 PolarHBondContact O-N 3.05Å; T390-Q393 PolarHBondContact O-N 2.88Å; T390-R394 WeakPolarHBondContact O-CB 3.42Å; T390-R394 PolarHBondContact O-N 3.19Å
391S88.5Confident88.6Confident41 Ų4177.8 Ų77.829%0.28738%0.376SS..Hα-helixtrans-66.4-39.3176.8-62.90000112.6F387 W388 I389 K395F387-S391 WeakPolarHBondContact O-CB 3.26Å; F387-S391 PolarHBondContact O-N 3.4Å; F387-S391 PolarHBondContact O-OG 2.83Å; W388-S391 WeakPolarHBondContact O-CB 3.01Å; W388-S391 PolarHBondContact O-N 2.86Å; I389-S391 PolarHBondContact O-N 3.4Å; S391-K395 WeakPolarHBondContact O-CG 3.32Å; S391-K395 PolarHBondContact O-N 3.34Å; S391-K395 VanDerWaalsContact O-N 3.15Å
392L92Very high89Confident54 Ų5479.9 Ų79.928%0.28338%0.38SS..Hα-helixtrans-65.8-46.6172.8-69.8174.2000111.7W388 I389 R394 K395 I396 L451W388-L392 HydrophobicContact CD2-CD1 4.1Å; W388-L392 HydrophobicContact CE3-CD1 4.26Å; W388-L392 HydrophobicContact CH2-CD1 3.94Å; W388-L392 HydrophobicContact CZ2-CD1 3.75Å; W388-L392 HydrophobicContact CZ3-CD1 4.19Å; W388-L392 PolarHBondContact O-N 3.24Å; I389-L392 PolarHBondContact O-N 3.32Å; I389-L392 VanDerWaalsContact O-N 3.15Å; L392-R394 VanDerWaalsContact C-N 3.29Å; L392-R394 PolarHBondContact O-N 2.89Å; L392-K395 PolarHBondContact O-N 2.87Å; L392-K395 VanDerWaalsContact O-N 3.14Å; L392-I396 PolarHBondContact O-N 2.86Å; L392-I396 VanDerWaalsContact O-N 3.11Å; L392-L451 HydrophobicContact CB-CD2 4.34Å
393Q88.2Confident89.5Confident46 Ų4680.6 Ų80.622%0.21538%0.384CS..Hα-helixtrans-56.4-45.4176.5-177.3177.8-27.700110.7I389 T390 K395 I396 Q397 L448 L451I389-Q393 WeakPolarHBondContact O-CB 3.41Å; I389-Q393 PolarHBondContact O-N 3.12Å; T390-Q393 PolarHBondContact O-N 2.88Å; Q393-K395 PolarHBondContact O-N 3.29Å; Q393-I396 PolarHBondContact O-N 3.3Å; Q393-Q397 WeakPolarHBondContact O-CB 3.34Å; Q393-Q397 PolarHBondContact O-N 3.31Å; Q393-L448 HydrophobicContact CG-CD2 4.1Å; Q393-L451 HydrophobicContact CB-CD2 3.79Å; Q393-L451 HydrophobicContact CG-CD2 4.5Å
394R89.8Confident90Very high174 Ų17478.1 Ų78.166%0.65737%0.367SS*.Hα-helixtrans-59.5-44.6176.7-175.6179.4176.3-175.2-0.4112.1T390 L392 I396 Q397 M398T390-R394 WeakPolarHBondContact O-CB 3.42Å; T390-R394 PolarHBondContact O-N 3.19Å; L392-R394 VanDerWaalsContact C-N 3.29Å; L392-R394 PolarHBondContact O-N 2.89Å; R394-I396 PolarHBondContact O-N 2.91Å; R394-Q397 PolarHBondContact O-N 3.35Å; R394-M398 HydrophobicContact CG-CE 4.39Å; R394-M398 VanDerWaalsContact O-CG 3.3Å; R394-M398 WeakPolarHBondContact O-CG 3.36Å; R394-M398 PolarHBondContact O-N 3.41Å
395K93.7Very high90.2Very high131 Ų13179.2 Ų79.257%0.5737%0.368SS*.Hα-helixtrans-60.3-45.2178.7-74.7177-177.3-179.20112.2S391 L392 Q393 K399S391-K395 WeakPolarHBondContact O-CG 3.32Å; S391-K395 PolarHBondContact O-N 3.34Å; S391-K395 VanDerWaalsContact O-N 3.15Å; L392-K395 PolarHBondContact O-N 2.87Å; L392-K395 VanDerWaalsContact O-N 3.14Å; Q393-K395 PolarHBondContact O-N 3.29Å; K395-K399 PolarHBondContact O-N 3.22Å
396I93.1Very high90.5Very high22 Ų2278.5 Ų78.511%0.11337%0.371CS..Hα-helixtrans-71.4-42.3179.9-58.4155.5000110.4L392 Q393 R394 M398 K399 Q400 L444 H447 L448 L451L392-I396 PolarHBondContact O-N 2.86Å; L392-I396 VanDerWaalsContact O-N 3.11Å; Q393-I396 PolarHBondContact O-N 3.3Å; R394-I396 PolarHBondContact O-N 2.91Å; I396-M398 VanDerWaalsContact C-N 3.31Å; I396-M398 PolarHBondContact O-N 3.09Å; I396-K399 WeakPolarHBondContact O-CB 3.45Å; I396-K399 PolarHBondContact O-N 2.9Å; I396-K399 VanDerWaalsContact O-N 3.1Å; I396-Q400 PolarHBondContact O-N 3.06Å; I396-L444 HydrophobicContact CG2-CD2 4.36Å; I396-H447 WeakPolarHBondContact CD1-CD2 3.42Å; I396-L448 HydrophobicContact CB-CD2 3.74Å; I396-L448 HydrophobicContact CB-CG 4.2Å; I396-L448 HydrophobicContact CD1-CD2 4.48Å; I396-L448 HydrophobicContact CG2-CD1 4.18Å; I396-L448 HydrophobicContact CG2-CD2 3.7Å; I396-L448 HydrophobicContact CG2-CG 3.56Å; I396-L451 HydrophobicContact CD1-CD2 4.11Å
397Q90.9Very high91Very high70 Ų7077 Ų7733%0.32736%0.363SS..Hα-helixtrans-59.7-40.3176.9-173.3173.85.600111.8Q393 R394 K399 Q400 M401Q393-Q397 WeakPolarHBondContact O-CB 3.34Å; Q393-Q397 PolarHBondContact O-N 3.31Å; R394-Q397 PolarHBondContact O-N 3.35Å; Q397-K399 VanDerWaalsContact C-N 3.35Å; Q397-K399 PolarHBondContact O-N 3Å; Q397-Q400 PolarHBondContact O-N 2.93Å; Q397-M401 HydrophobicContact CG-CE 4.25Å; Q397-M401 HydrophobicContact CG-CG 4.5Å; Q397-M401 VanDerWaalsContact O-CG 3.3Å; Q397-M401 WeakPolarHBondContact O-CG 3.38Å; Q397-M401 PolarHBondContact O-N 3.28Å
398M92.9Very high91.4Very high98 Ų9871.9 Ų71.948%0.48334%0.342SS..Hα-helixtrans-62.4-39.5174.2-73.7-173.1-57.300112.7R394 I396 Q400 M401 K402R394-M398 HydrophobicContact CG-CE 4.39Å; R394-M398 VanDerWaalsContact O-CG 3.3Å; R394-M398 WeakPolarHBondContact O-CG 3.36Å; R394-M398 PolarHBondContact O-N 3.41Å; I396-M398 VanDerWaalsContact C-N 3.31Å; I396-M398 PolarHBondContact O-N 3.09Å; M398-Q400 VanDerWaalsContact C-N 3.35Å; M398-M401 PolarHBondContact O-N 2.83Å; M398-K402 WeakPolarHBondContact O-CG 3.4Å; M398-K402 PolarHBondContact O-N 3.3Å; M398-K402 VanDerWaalsContact O-N 3.16Å
399K94.8Very high91.4Very high141 Ų14168.4 Ų68.461%0.61333%0.331SS*.Hα-helixtrans-65.4-39.9174.7-69.3-177.2178.9-1760111.6K395 I396 Q397 K402 L403 L444K395-K399 PolarHBondContact O-N 3.22Å; I396-K399 WeakPolarHBondContact O-CB 3.45Å; I396-K399 PolarHBondContact O-N 2.9Å; I396-K399 VanDerWaalsContact O-N 3.1Å; Q397-K399 VanDerWaalsContact C-N 3.35Å; Q397-K399 PolarHBondContact O-N 3Å; K399-K402 PolarHBondContact O-N 3.16Å; K399-L403 PolarHBondContact O-N 3.29Å; K399-L444 HydrophobicContact CB-CD1 3.85Å
400Q92.5Very high91.7Very high1 Ų169.1 Ų69.11%0.00534%0.335CS..Hα-helixtrans-65.6-43177179.7-99.7-27.800111.5I396 Q397 M398 K402 L403 K404 E441 L444 L445 L448I396-Q400 PolarHBondContact O-N 3.06Å; Q397-Q400 PolarHBondContact O-N 2.93Å; M398-Q400 VanDerWaalsContact C-N 3.35Å; Q400-K402 VanDerWaalsContact C-N 3.33Å; Q400-K402 PolarHBondContact O-N 2.64Å; Q400-L403 PolarHBondContact O-N 3.21Å; Q400-L403 VanDerWaalsContact O-N 3.16Å; Q400-K404 PolarHBondContact O-N 2.93Å; Q400-E441 HydrophobicContact CG-CG 4.05Å; Q400-E441 PolarHBondContact NE2-OE1 3.48Å; Q400-E441 VanDerWaalsContact NE2-OE1 3.1Å; Q400-L444 HydrophobicContact CB-CB 4.11Å; Q400-L444 HydrophobicContact CB-CD1 4.08Å; Q400-L444 HydrophobicContact CG-CB 4.49Å; Q400-L445 HydrophobicContact CG-CD2 4.11Å; Q400-L445 HydrophobicContact CG-CG 4.28Å; Q400-L448 HydrophobicContact CB-CD1 4.41Å
401M92.1Very high92Very high58 Ų5865.2 Ų65.229%0.28631%0.311SS..Hα-helixtrans-60.4-40.6175.9-68.8-61.7161.200112.1Q397 M398 L403 K404 D405Q397-M401 HydrophobicContact CG-CE 4.25Å; Q397-M401 HydrophobicContact CG-CG 4.5Å; Q397-M401 VanDerWaalsContact O-CG 3.3Å; Q397-M401 WeakPolarHBondContact O-CG 3.38Å; Q397-M401 PolarHBondContact O-N 3.28Å; M398-M401 PolarHBondContact O-N 2.83Å; M401-L403 VanDerWaalsContact C-N 3.32Å; M401-L403 PolarHBondContact O-N 2.84Å; M401-K404 WeakPolarHBondContact O-CB 3.39Å; M401-K404 PolarHBondContact O-N 3.12Å; M401-K404 VanDerWaalsContact O-N 3.16Å; M401-K404 HydrophobicContact SD-CD 4.1Å; M401-D405 WeakPolarHBondContact O-CB 2.88Å; M401-D405 PolarHBondContact O-N 3.14Å
402K93.5Very high92.1Very high157 Ų15765.2 Ų65.268%0.68331%0.308SS*.Hα-helixtrans-58.3-39.9174.6-71.9-176.8178.4-165.80113.5M398 K399 Q400 A406M398-K402 WeakPolarHBondContact O-CG 3.4Å; M398-K402 PolarHBondContact O-N 3.3Å; M398-K402 VanDerWaalsContact O-N 3.16Å; K399-K402 PolarHBondContact O-N 3.16Å; Q400-K402 VanDerWaalsContact C-N 3.33Å; Q400-K402 PolarHBondContact O-N 2.64Å; K402-A406 WeakPolarHBondContact O-CB 3.25Å; K402-A406 PolarHBondContact O-N 3.46Å; K402-A406 VanDerWaalsContact O-N 3.07Å
403L94.2Very high92Very high44 Ų4463.3 Ų63.323%0.2330%0.297CS..Hα-helixtrans-72.9-37.9176.7-69.9176.3000111.9K399 Q400 M401 A406 R407 I437 K440 E441 L444K399-L403 PolarHBondContact O-N 3.29Å; Q400-L403 PolarHBondContact O-N 3.21Å; Q400-L403 VanDerWaalsContact O-N 3.16Å; M401-L403 VanDerWaalsContact C-N 3.32Å; M401-L403 PolarHBondContact O-N 2.84Å; L403-A406 PolarHBondContact O-N 3.38Å; L403-R407 WeakPolarHBondContact O-CB 3.35Å; L403-R407 PolarHBondContact O-N 2.78Å; L403-I437 WeakPolarHBondContact O-CG2 3.13Å; L403-K440 HydrophobicContact CD1-CB 3.71Å; L403-K440 HydrophobicContact CD2-CB 4.41Å; L403-E441 HydrophobicContact CB-CB 4.39Å; L403-L444 HydrophobicContact CD1-CD1 3.72Å
404K92Very high92.2Very high29 Ų2961.2 Ų61.213%0.12629%0.288CS..Hα-helixtrans-62.9-42.3175.3-172.8-179.4174.1-172.20111.5Q400 M401 R407 M408 D1005Q400-K404 PolarHBondContact O-N 2.93Å; M401-K404 WeakPolarHBondContact O-CB 3.39Å; M401-K404 PolarHBondContact O-N 3.12Å; M401-K404 VanDerWaalsContact O-N 3.16Å; M401-K404 HydrophobicContact SD-CD 4.1Å; K404-R407 PolarHBondContact O-N 2.61Å; K404-M408 WeakPolarHBondContact O-CB 3.44Å; K404-M408 PolarHBondContact O-N 3.49Å; K404-D1005 VanDerWaalsContact NZ-CB 3.32Å; K404-D1005 IonicContact NZ-OD1 2.66Å; K404-D1005 PolarHBondContact NZ-OD1 3.12Å; K404-D1005 IonicContact NZ-OD2 2.9Å; K404-D1005 PolarHBondContact NZ-OD2 3.4Å; K404-D1005 VanDerWaalsContact NZ-OD2 3.12Å
405D91.1Very high92.2Very high101 Ų10153.2 Ų53.254%0.5426%0.258SS..Hα-helixtrans-64.8-45.4175.8-65.2-22000110.7M401 R407 M408 K409M401-D405 WeakPolarHBondContact O-CB 2.88Å; M401-D405 PolarHBondContact O-N 3.14Å; D405-R407 VanDerWaalsContact C-N 3.34Å; D405-R407 PolarHBondContact O-N 3.16Å; D405-M408 PolarHBondContact O-N 3.2Å; D405-K409 WeakPolarHBondContact O-CB 3.28Å; D405-K409 PolarHBondContact O-N 2.93Å
406A92Very high91.8Very high46 Ų4651.8 Ų51.838%0.3826%0.256SS..Hα-helixtrans-59.8-42.8175.300000112.3K402 L403 L410K402-A406 WeakPolarHBondContact O-CB 3.25Å; K402-A406 PolarHBondContact O-N 3.46Å; K402-A406 VanDerWaalsContact O-N 3.07Å; L403-A406 PolarHBondContact O-N 3.38Å; A406-L410 PolarHBondContact O-N 3.38Å; A406-L410 VanDerWaalsContact O-N 3.12Å
407R94.5Very high91.6Very high1 Ų150.8 Ų50.80%0.00425%0.252CS..Hα-helixtrans-61.6-46.7173.5-175.2-164.165.2156.30.5111L403 K404 D405 L410 V411 I434 I437 H973 I1000L403-R407 WeakPolarHBondContact O-CB 3.35Å; L403-R407 PolarHBondContact O-N 2.78Å; K404-R407 PolarHBondContact O-N 2.61Å; D405-R407 VanDerWaalsContact C-N 3.34Å; D405-R407 PolarHBondContact O-N 3.16Å; R407-L410 PolarHBondContact O-N 3.3Å; R407-V411 VanDerWaalsContact O-CG2 3.29Å; R407-V411 WeakPolarHBondContact O-CG2 3.47Å; R407-V411 PolarHBondContact O-N 2.88Å; R407-I434 HydrophobicContact CG-CG2 4.28Å; R407-I437 HydrophobicContact CB-CG2 3.84Å; R407-H973 PolarHBondContact NH1-CD2 2.95Å; R407-H973 PolarHBondContact NH1-NE2 2.93Å; R407-I1000 PolarHBondContact NH2-O 3.31Å
408M92.9Very high91.7Very high44 Ų4447.6 Ų47.622%0.21724%0.237CC..Hα-helixtrans-66.1-39.7-176.8-165.754.642.100112.2K404 D405 V411 N412 L997 I1000K404-M408 WeakPolarHBondContact O-CB 3.44Å; K404-M408 PolarHBondContact O-N 3.49Å; D405-M408 PolarHBondContact O-N 3.2Å; M408-V411 PolarHBondContact O-N 3.29Å; M408-N412 WeakPolarHBondContact O-CB 3.16Å; M408-N412 PolarHBondContact O-N 2.88Å; M408-L997 HydrophobicContact SD-CD2 3.88Å; M408-I1000 HydrophobicContact CE-CG2 4.38Å
409K90Very high91.6Very high87 Ų8746.6 Ų46.638%0.37823%0.23SC..Hα-helixtrans-59.2-50.6173.8-168.8-176.1-175.6-169.60110.9D405 V411 N412 E413 C1305 E1349D405-K409 WeakPolarHBondContact O-CB 3.28Å; D405-K409 PolarHBondContact O-N 2.93Å; K409-V411 VanDerWaalsContact C-N 3.33Å; K409-V411 PolarHBondContact O-N 3.24Å; K409-N412 PolarHBondContact O-N 3.42Å; K409-E413 VanDerWaalsContact CE-OE1 3.3Å; K409-E413 WeakPolarHBondContact CE-OE1 3.36Å; K409-E413 WeakPolarHBondContact O-CG 3.4Å; K409-E413 PolarHBondContact O-N 3.18Å; K409-C1305 PolarHBondContact NZ-SG 3.48Å; K409-E1349 WeakPolarHBondContact CE-OE2 3.41Å; K409-E1349 IonicContact NZ-OE2 3.64Å
410L91.2Very high91.3Very high22 Ų2240.4 Ų40.412%0.11520%0.204CC..Hα-helixtrans-59.1-42.7177.3-178.761.2000112.1A406 R407 E413 I414 F430 K433 I434 I437A406-L410 PolarHBondContact O-N 3.38Å; A406-L410 VanDerWaalsContact O-N 3.12Å; R407-L410 PolarHBondContact O-N 3.3Å; L410-E413 PolarHBondContact O-N 3.42Å; L410-I414 HydrophobicContact CD1-CD1 4.13Å; L410-I414 HydrophobicContact CD1-CG1 4.46Å; L410-I414 HydrophobicContact CG-CD1 3.85Å; L410-I414 WeakPolarHBondContact O-CB 3.01Å; L410-I414 WeakPolarHBondContact O-CD1 2.89Å; L410-I414 WeakPolarHBondContact O-CG1 2.95Å; L410-I414 PolarHBondContact O-N 2.94Å; L410-F430 HydrophobicContact CD1-CD1 4.01Å; L410-F430 HydrophobicContact CD1-CE1 4.25Å; L410-K433 HydrophobicContact CD2-CB 3.87Å; L410-I434 HydrophobicContact CD2-CG1 3.85Å; L410-I434 HydrophobicContact CG-CG1 4.29Å; L410-I437 HydrophobicContact CD2-CD1 3.89Å
411V92.8Very high91.3Very high2 Ų240.3 Ų40.31%0.01220%0.203CC..Hα-helixtrans-64.9-41.7176.9171.10000111.8R407 M408 K409 E413 I414 L415 I434 L997 I1000R407-V411 VanDerWaalsContact O-CG2 3.29Å; R407-V411 WeakPolarHBondContact O-CG2 3.47Å; R407-V411 PolarHBondContact O-N 2.88Å; M408-V411 PolarHBondContact O-N 3.29Å; K409-V411 VanDerWaalsContact C-N 3.33Å; K409-V411 PolarHBondContact O-N 3.24Å; V411-E413 PolarHBondContact O-N 3.12Å; V411-I414 PolarHBondContact O-N 3.3Å; V411-L415 HydrophobicContact CG1-CD1 3.89Å; V411-L415 HydrophobicContact CG1-CG 4.28Å; V411-L415 WeakPolarHBondContact O-CB 3.31Å; V411-L415 VanDerWaalsContact O-CG 3.25Å; V411-L415 WeakPolarHBondContact O-CG 3.39Å; V411-L415 PolarHBondContact O-N 2.89Å; V411-I434 HydrophobicContact CG2-CD1 3.89Å; V411-I434 HydrophobicContact CG2-CG1 4.23Å; V411-L997 HydrophobicContact CG1-CD2 3.95Å; V411-I1000 HydrophobicContact CG1-CB 4.46Å; V411-I1000 HydrophobicContact CG1-CD1 3.59Å; V411-I1000 HydrophobicContact CG1-CG2 4.14Å; V411-I1000 HydrophobicContact CG2-CG2 4.21Å
412N90.7Very high91.3Very high42 Ų4237.6 Ų37.623%0.22519%0.19CC..Hα-helixtrans-60.3-45.1176.6-176.250.6000111.9M408 K409 L415 N416 L997 E1349M408-N412 WeakPolarHBondContact O-CB 3.16Å; M408-N412 PolarHBondContact O-N 2.88Å; K409-N412 PolarHBondContact O-N 3.42Å; N412-L415 PolarHBondContact O-N 3.08Å; N412-N416 PolarHBondContact O-N 3.01Å; N412-N416 PolarHBondContact O-ND2 2.93Å; N412-N416 PolarHBondContact OD1-ND2 3.49Å; N412-L997 HydrophobicContact CB-CD1 4.46Å; N412-L997 HydrophobicContact CB-CD2 4.03Å; N412-L997 VanDerWaalsContact OD1-CD1 3.31Å; N412-L997 WeakPolarHBondContact OD1-CD1 3.48Å; N412-E1349 PolarHBondContact ND2-OE1 2.84Å
413E88.3Confident91.2Very high13 Ų1330.2 Ų30.26%0.06116%0.158CC..Hα-helixtrans-63.7-43.5176.3-69.7174.5-159.200112.2K409 L410 V411 L415 N416 G417 F1304 C1305 E1349K409-E413 VanDerWaalsContact CE-OE1 3.3Å; K409-E413 WeakPolarHBondContact CE-OE1 3.36Å; K409-E413 WeakPolarHBondContact O-CG 3.4Å; K409-E413 PolarHBondContact O-N 3.18Å; L410-E413 PolarHBondContact O-N 3.42Å; V411-E413 PolarHBondContact O-N 3.12Å; E413-L415 VanDerWaalsContact C-N 3.3Å; E413-L415 PolarHBondContact O-N 2.99Å; E413-N416 PolarHBondContact O-N 3.3Å; E413-G417 PolarHBondContact O-N 3.08Å; E413-F1304 HydrophobicContact CB-CD1 4.39Å; E413-C1305 VanDerWaalsContact OE1-CB 3.28Å; E413-C1305 WeakPolarHBondContact OE1-CB 3.42Å; E413-C1305 PolarHBondContact OE1-SG 2.89Å; E413-C1305 WeakPolarHBondContact OE2-CB 3.25Å; E413-C1305 PolarHBondContact OE2-N 3.24Å; E413-E1349 HydrophobicContact CG-CG 4.11Å
414I92.3Very high91Very high3 Ų328.4 Ų28.42%0.01515%0.148CC..Hα-helixtrans-58.4-43.1174.7-76.1163.5000111L410 V411 G417 M418 L421 F430 I434 M981L410-I414 HydrophobicContact CD1-CD1 4.13Å; L410-I414 HydrophobicContact CD1-CG1 4.46Å; L410-I414 HydrophobicContact CG-CD1 3.85Å; L410-I414 WeakPolarHBondContact O-CB 3.01Å; L410-I414 WeakPolarHBondContact O-CD1 2.89Å; L410-I414 WeakPolarHBondContact O-CG1 2.95Å; L410-I414 PolarHBondContact O-N 2.94Å; V411-I414 PolarHBondContact O-N 3.3Å; I414-G417 CarbonylContact O-C 3.52Å; I414-M418 HydrophobicContact CG2-CE 3.53Å; I414-M418 WeakPolarHBondContact O-CA 3.34Å; I414-M418 WeakPolarHBondContact O-CB 3.12Å; I414-M418 PolarHBondContact O-N 3.34Å; I414-L421 HydrophobicContact CB-CD1 4.06Å; I414-L421 HydrophobicContact CG1-CD1 4.02Å; I414-L421 HydrophobicContact CG2-CD1 3.95Å; I414-F430 HydrophobicContact CD1-CB 3.8Å; I414-F430 HydrophobicContact CD1-CD1 3.82Å; I414-F430 HydrophobicContact CD1-CG 4.27Å; I414-F430 HydrophobicContact CG1-CB 4.11Å; I414-F430 HydrophobicContact CG1-CD1 3.58Å; I414-F430 HydrophobicContact CG1-CE1 4.36Å; I414-F430 HydrophobicContact CG1-CG 4.16Å; I414-I434 HydrophobicContact CD1-CD1 3.5Å; I414-I434 HydrophobicContact CD1-CG1 4.03Å; I414-M981 HydrophobicContact CG2-CE 4.07Å; I414-M981 HydrophobicContact CG2-SD 3.67Å
415L90.7Very high90.9Very high6 Ų627.1 Ų27.13%0.03114%0.143CC..Hα-helixtrans-70-44.2-178.9-72.4175.6000112.3V411 N412 E413 G417 M418 I980 Y988 L993 I996 L997V411-L415 HydrophobicContact CG1-CD1 3.89Å; V411-L415 HydrophobicContact CG1-CG 4.28Å; V411-L415 WeakPolarHBondContact O-CB 3.31Å; V411-L415 VanDerWaalsContact O-CG 3.25Å; V411-L415 WeakPolarHBondContact O-CG 3.39Å; V411-L415 PolarHBondContact O-N 2.89Å; N412-L415 PolarHBondContact O-N 3.08Å; E413-L415 VanDerWaalsContact C-N 3.3Å; E413-L415 PolarHBondContact O-N 2.99Å; L415-G417 VanDerWaalsContact C-N 3.31Å; L415-G417 PolarHBondContact O-N 3.07Å; L415-M418 HydrophobicContact CD2-CE 4.03Å; L415-M418 WeakPolarHBondContact O-CB 3.47Å; L415-M418 PolarHBondContact O-N 3.41Å; L415-I980 HydrophobicContact CD2-CG2 4.27Å; L415-Y988 HydrophobicContact CD2-CD1 4.41Å; L415-Y988 HydrophobicContact CD2-CE1 3.71Å; L415-L993 HydrophobicContact CB-CD2 4.24Å; L415-I996 HydrophobicContact CD1-CB 4.08Å; L415-I996 HydrophobicContact CD1-CG2 3.84Å; L415-I996 HydrophobicContact CD2-CD1 4.33Å; L415-I996 HydrophobicContact CD2-CG2 3.87Å; L415-L997 HydrophobicContact CD1-CD2 3.68Å; L415-L997 HydrophobicContact CD1-CG 3.66Å
416N86.2Confident91Very high100 Ų10022.9 Ų22.954%0.53512%0.119SC..Hα-helixtrans-65.2-36.1175.1-70-33.2000111.7N412 E413 L993N412-N416 PolarHBondContact O-N 3.01Å; N412-N416 PolarHBondContact O-ND2 2.93Å; N412-N416 PolarHBondContact OD1-ND2 3.49Å; E413-N416 PolarHBondContact O-N 3.3Å; N416-L993 WeakPolarHBondContact OD1-CD1 3.45Å
417G88.8Confident91Very high2 Ų221.1 Ų21.12%0.02110%0.103CC..THydrogen-bonded Turntrans-93.412.9178.300000115.1E413 I414 L415 K419 V420 L421E413-G417 PolarHBondContact O-N 3.08Å; I414-G417 CarbonylContact O-C 3.52Å; L415-G417 VanDerWaalsContact C-N 3.31Å; L415-G417 PolarHBondContact O-N 3.07Å; G417-K419 VanDerWaalsContact C-N 3.33Å; G417-K419 PolarHBondContact O-N 3.17Å; G417-V420 PolarHBondContact O-N 3.34Å; G417-L421 PolarHBondContact O-N 3.42Å
418M92.6Very high90.9Very high3 Ų323.4 Ų23.42%0.01512%0.118CC..Hα-helixtrans-61.1-39.9-167.7-174.862.866.800112.4I414 L415 V420 L421 K422 M981 M985 Y988I414-M418 HydrophobicContact CG2-CE 3.53Å; I414-M418 WeakPolarHBondContact O-CA 3.34Å; I414-M418 WeakPolarHBondContact O-CB 3.12Å; I414-M418 PolarHBondContact O-N 3.34Å; L415-M418 HydrophobicContact CD2-CE 4.03Å; L415-M418 WeakPolarHBondContact O-CB 3.47Å; L415-M418 PolarHBondContact O-N 3.41Å; M418-V420 VanDerWaalsContact C-N 3.31Å; M418-V420 PolarHBondContact O-N 2.92Å; M418-L421 WeakPolarHBondContact O-CB 3.46Å; M418-L421 PolarHBondContact O-N 3.11Å; M418-K422 WeakPolarHBondContact O-CG 3.41Å; M418-K422 PolarHBondContact O-N 3.05Å; M418-M981 HydrophobicContact CE-SD 3.99Å; M418-M985 HydrophobicContact CB-CE 4Å; M418-M985 HydrophobicContact CG-CE 3.38Å; M418-Y988 HydrophobicContact CE-CE1 4.11Å; M418-Y988 WeakPolarHBondContact CE-OH 3.39Å; M418-Y988 HydrophobicContact CG-CD2 4.3Å; M418-Y988 HydrophobicContact CG-CE1 4.09Å; M418-Y988 HydrophobicContact CG-CE2 3.86Å
419K89.4Confident90.8Very high76 Ų7622 Ų2233%0.3311%0.113SC..Hα-helixtrans-56.8-46.3175.8-179.8178.5168.1-178.80111.1G417 K422 L423 M985 Q1262G417-K419 VanDerWaalsContact C-N 3.33Å; G417-K419 PolarHBondContact O-N 3.17Å; K419-K422 PolarHBondContact O-N 2.87Å; K419-L423 HydrophobicContact CG-CD1 4.06Å; K419-L423 VanDerWaalsContact O-CG 3.25Å; K419-L423 WeakPolarHBondContact O-CG 3.4Å; K419-L423 PolarHBondContact O-N 3.25Å; K419-M985 HydrophobicContact CB-SD 4.05Å; K419-Q1262 VanDerWaalsContact CE-NE2 3.31Å; K419-Q1262 VanDerWaalsContact NZ-NE2 3.17Å
420V89.6Confident91Very high11 Ų1117.9 Ų17.97%0.06710%0.095CC..Hα-helixtrans-69.1-41.1-179.5177.10000111.6G417 M418 K422 L423 Y424 V1302G417-V420 PolarHBondContact O-N 3.34Å; M418-V420 VanDerWaalsContact C-N 3.31Å; M418-V420 PolarHBondContact O-N 2.92Å; V420-K422 VanDerWaalsContact C-N 3.29Å; V420-K422 PolarHBondContact O-N 3.14Å; V420-L423 PolarHBondContact O-N 3.47Å; V420-Y424 HydrophobicContact CG1-CD2 3.55Å; V420-Y424 HydrophobicContact CG1-CE2 3.41Å; V420-Y424 VanDerWaalsContact CG1-CE2 3.41Å; V420-Y424 VanDerWaalsContact O-CD2 3.29Å; V420-Y424 WeakPolarHBondContact O-CD2 3.25Å; V420-Y424 PolarHBondContact O-N 3.4Å; V420-Y424 VanDerWaalsContact O-N 3.11Å; V420-V1302 HydrophobicContact CB-CB 4.3Å; V420-V1302 HydrophobicContact CB-CG2 4.49Å; V420-V1302 HydrophobicContact CG1-CB 4.33Å; V420-V1302 HydrophobicContact CG2-CB 3.97Å; V420-V1302 HydrophobicContact CG2-CG2 3.7Å
421L91.6Very high91.1Very high0 Ų018.7 Ų18.70%010%0.098CC..Hα-helixtrans-53.7-45.8173.5-100.5148.3000112.2I414 G417 M418 Y424 A425 W426 F430 F1304I414-L421 HydrophobicContact CB-CD1 4.06Å; I414-L421 HydrophobicContact CG1-CD1 4.02Å; I414-L421 HydrophobicContact CG2-CD1 3.95Å; G417-L421 PolarHBondContact O-N 3.42Å; M418-L421 WeakPolarHBondContact O-CB 3.46Å; M418-L421 PolarHBondContact O-N 3.11Å; L421-Y424 PolarHBondContact O-N 2.82Å; L421-A425 PolarHBondContact O-N 3.01Å; L421-A425 VanDerWaalsContact O-N 3.11Å; L421-W426 HydrophobicContact CD2-CB 3.56Å; L421-W426 HydrophobicContact CG-CB 4.5Å; L421-W426 PolarHBondContact O-N 3.22Å; L421-F430 HydrophobicContact CD2-CB 4.12Å; L421-F430 HydrophobicContact CD2-CD2 3.44Å; L421-F430 VanDerWaalsContact CD2-CD2 3.44Å; L421-F430 HydrophobicContact CD2-CE2 3.9Å; L421-F430 HydrophobicContact CD2-CG 3.82Å; L421-F1304 HydrophobicContact CD1-CE1 3.61Å; L421-F1304 HydrophobicContact CD1-CZ 3.66Å; L421-F1304 HydrophobicContact CG-CE1 4.19Å; L421-F1304 HydrophobicContact CG-CE2 4.48Å; L421-F1304 HydrophobicContact CG-CZ 3.72Å
422K93Very high91.1Very high0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-68.6-44.5177.3-66.9-170.1-176.5177.50112.9M418 K419 V420 Y424 A425 E427 S983 M985 E1198 I1267 R1291M418-K422 WeakPolarHBondContact O-CG 3.41Å; M418-K422 PolarHBondContact O-N 3.05Å; K419-K422 PolarHBondContact O-N 2.87Å; V420-K422 VanDerWaalsContact C-N 3.29Å; V420-K422 PolarHBondContact O-N 3.14Å; K422-Y424 PolarHBondContact O-N 2.81Å; K422-A425 PolarHBondContact O-N 3.01Å; K422-E427 WeakPolarHBondContact CA-OE1 3.2Å; K422-E427 HydrophobicContact CG-CG 4.45Å; K422-E427 WeakPolarHBondContact CG-OE1 3.24Å; K422-S983 PolarHBondContact NZ-O 3.4Å; K422-M985 HydrophobicContact CD-CE 3.72Å; K422-M985 VanDerWaalsContact CE-CE 3.47Å; K422-M985 VanDerWaalsContact NZ-CE 3.28Å; K422-E1198 WeakPolarHBondContact CD-OE1 3.37Å; K422-E1198 WeakPolarHBondContact CE-OE1 3.39Å; K422-E1198 IonicContact NZ-OE1 3.88Å; K422-E1198 PolarHBondContact NZ-OE1 2.86Å; K422-I1267 HydrophobicContact CB-CD1 3.82Å; K422-R1291 WeakPolarHBondContact O-CD 3.37Å
423L91.3Very high91.1Very high3 Ų325.6 Ų25.62%0.01613%0.126CC..Hα-helixtrans-56.4-33.7178.3-73.4166.4000112.3K419 V420 F1265 I1267 I1296K419-L423 HydrophobicContact CG-CD1 4.06Å; K419-L423 VanDerWaalsContact O-CG 3.25Å; K419-L423 WeakPolarHBondContact O-CG 3.4Å; K419-L423 PolarHBondContact O-N 3.25Å; V420-L423 PolarHBondContact O-N 3.47Å; L423-F1265 HydrophobicContact CD2-CB 3.67Å; L423-F1265 HydrophobicContact CD2-CD1 3.77Å; L423-F1265 HydrophobicContact CD2-CD2 3.83Å; L423-F1265 HydrophobicContact CD2-CE1 4.37Å; L423-F1265 HydrophobicContact CD2-CE2 4.43Å; L423-F1265 HydrophobicContact CD2-CG 3.47Å; L423-F1265 VanDerWaalsContact CD2-CG 3.47Å; L423-I1267 HydrophobicContact CD2-CD1 3.97Å; L423-I1267 HydrophobicContact CD2-CG1 3.77Å; L423-I1267 HydrophobicContact CG-CD1 4.21Å; L423-I1267 HydrophobicContact CG-CG1 4.43Å; L423-I1296 HydrophobicContact CB-CG2 3.86Å; L423-I1296 HydrophobicContact CD1-CD1 4.26Å; L423-I1296 HydrophobicContact CD1-CG2 4.07Å; L423-I1296 HydrophobicContact CD2-CD1 4.44Å; L423-I1296 HydrophobicContact CD2-CG2 4.28Å; L423-I1296 HydrophobicContact CG-CG2 4.28Å
424Y90Very high91.4Very high5 Ų525.1 Ų25.12%0.0212%0.123CC..THydrogen-bonded Turntrans-94.6-2177.2-66.2-55.8000115.3V420 L421 K422 W426 I1296V420-Y424 HydrophobicContact CG1-CD2 3.55Å; V420-Y424 HydrophobicContact CG1-CE2 3.41Å; V420-Y424 VanDerWaalsContact CG1-CE2 3.41Å; V420-Y424 VanDerWaalsContact O-CD2 3.29Å; V420-Y424 WeakPolarHBondContact O-CD2 3.25Å; V420-Y424 PolarHBondContact O-N 3.4Å; V420-Y424 VanDerWaalsContact O-N 3.11Å; L421-Y424 PolarHBondContact O-N 2.82Å; K422-Y424 PolarHBondContact O-N 2.81Å; Y424-W426 VanDerWaalsContact C-N 3.32Å; Y424-W426 HydrophobicContact CD2-CD2 4.38Å; Y424-W426 HydrophobicContact CD2-CE3 4.3Å; Y424-W426 HydrophobicContact CD2-CH2 4.2Å; Y424-W426 HydrophobicContact CD2-CZ2 4.26Å; Y424-W426 HydrophobicContact CD2-CZ3 4.22Å; Y424-W426 HydrophobicContact CG-CD2 4.34Å; Y424-W426 HydrophobicContact CG-CZ2 4.2Å; Y424-W426 PolarHBondContact O-N 3.24Å; Y424-I1296 HydrophobicContact CE1-CG2 4.43Å; Y424-I1296 PolarHBondContact OH-O 3.38Å
425A90.7Very high91.5Very high2 Ų229.2 Ų29.22%0.01714%0.143CC..THydrogen-bonded Turntrans57.638.3-174.300000113.9L421 K422 E427 W1201 R1291 F1315L421-A425 PolarHBondContact O-N 3.01Å; L421-A425 VanDerWaalsContact O-N 3.11Å; K422-A425 PolarHBondContact O-N 3.01Å; A425-E427 WeakPolarHBondContact CA-OE2 3.44Å; A425-W1201 HydrophobicContact CB-CH2 3.85Å; A425-R1291 HydrophobicContact CB-CB 4.12Å; A425-F1315 VanDerWaalsContact O-CZ 3.31Å; A425-F1315 WeakPolarHBondContact O-CZ 3.31Å
426W92.5Very high91.7Very high13 Ų1333.6 Ų33.65%0.04917%0.166CC..  trans-91.2-1-174.5-74.40.2000115L421 Y424 P428 S429 F430 F1304 N1311 P1314 F1315 R1366L421-W426 HydrophobicContact CD2-CB 3.56Å; L421-W426 HydrophobicContact CG-CB 4.5Å; L421-W426 PolarHBondContact O-N 3.22Å; Y424-W426 VanDerWaalsContact C-N 3.32Å; Y424-W426 HydrophobicContact CD2-CD2 4.38Å; Y424-W426 HydrophobicContact CD2-CE3 4.3Å; Y424-W426 HydrophobicContact CD2-CH2 4.2Å; Y424-W426 HydrophobicContact CD2-CZ2 4.26Å; Y424-W426 HydrophobicContact CD2-CZ3 4.22Å; Y424-W426 HydrophobicContact CG-CD2 4.34Å; Y424-W426 HydrophobicContact CG-CZ2 4.2Å; Y424-W426 PolarHBondContact O-N 3.24Å; W426-P428 VanDerWaalsContact C-CD 3.49Å; W426-S429 PolarHBondContact O-N 3.21Å; W426-F430 HydrophobicContact CB-CD2 4.25Å; W426-F430 HydrophobicContact CB-CE2 4.32Å; W426-F430 HydrophobicContact CE3-CE2 4.09Å; W426-F430 PolarHBondContact O-N 2.95Å; W426-F1304 HydrophobicContact CE3-CE2 4.07Å; W426-F1304 HydrophobicContact CZ3-CD2 4.24Å; W426-F1304 AromaticContact CZ3-CE2 3.96Å; W426-F1304 HydrophobicContact CZ3-CE2 3.96Å; W426-N1311 WeakPolarHBondContact CH2-O 3.27Å; W426-P1314 HydrophobicContact CD2-CG 3.5Å; W426-P1314 VanDerWaalsContact CD2-CG 3.5Å; W426-P1314 VanDerWaalsContact CE2-CG 3.43Å; W426-P1314 HydrophobicContact CE3-CG 3.75Å; W426-P1314 HydrophobicContact CG-CG 4.04Å; W426-P1314 HydrophobicContact CH2-CG 3.86Å; W426-P1314 HydrophobicContact CZ2-CG 3.63Å; W426-P1314 HydrophobicContact CZ3-CG 3.92Å; W426-F1315 AromaticContact CD1-CE2 3.62Å; W426-R1366 HydrophobicContact CH2-CG 4.5Å
427E92.4Very high92.1Very high9 Ų930.5 Ų30.54%0.04215%0.149CC..Hα-helixtrans-50.6-47.6-174.8-54.992137.300112.9K422 A425 S429 F430 E431 M981 W1201 R1291K422-E427 WeakPolarHBondContact CA-OE1 3.2Å; K422-E427 HydrophobicContact CG-CG 4.45Å; K422-E427 WeakPolarHBondContact CG-OE1 3.24Å; A425-E427 WeakPolarHBondContact CA-OE2 3.44Å; E427-S429 PolarHBondContact O-N 3.17Å; E427-F430 PolarHBondContact O-N 3.34Å; E427-E431 WeakPolarHBondContact O-CB 3.28Å; E427-E431 PolarHBondContact O-N 3.17Å; E427-M981 HydrophobicContact CB-CE 3.75Å; E427-M981 HydrophobicContact CG-CE 4.18Å; E427-M981 WeakPolarHBondContact O-CE 3.28Å; E427-W1201 VanDerWaalsContact OE2-CH2 3.31Å; E427-W1201 WeakPolarHBondContact OE2-CH2 3.34Å; E427-R1291 IonicContact OE1-NH1 3.95Å
428P91.8Very high92.4Very high48 Ų4830.4 Ų30.431%0.31215%0.148SC..Hα-helixtrans-65.7-34.7-177.7-21.834.7000114.2W426 K432 W1201W426-P428 VanDerWaalsContact C-CD 3.49Å; P428-K432 WeakPolarHBondContact O-CB 3.48Å; P428-K432 PolarHBondContact O-N 2.73Å; P428-K432 VanDerWaalsContact O-N 3.1Å; P428-W1201 HydrophobicContact CG-CH2 4.19Å; P428-W1201 HydrophobicContact CG-CZ2 3.64Å
429S91.4Very high92.5Very high15 Ų1532.6 Ų32.611%0.10516%0.159CC..Hα-helixtrans-66.3-42.7179.2177.50000110.9W426 E427 K433 P1314W426-S429 PolarHBondContact O-N 3.21Å; E427-S429 PolarHBondContact O-N 3.17Å; S429-K433 WeakPolarHBondContact O-CG 3.3Å; S429-K433 PolarHBondContact O-N 2.95Å; S429-P1314 PolarHBondContact OG-O 3.3Å
430F92.8Very high92.8Very high0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-74.4-36.4178.7-80.7-98.5000112.7L410 I414 L421 W426 E427 K432 K433 I434 M981 F1304 M1310 P1314L410-F430 HydrophobicContact CD1-CD1 4.01Å; L410-F430 HydrophobicContact CD1-CE1 4.25Å; I414-F430 HydrophobicContact CD1-CB 3.8Å; I414-F430 HydrophobicContact CD1-CD1 3.82Å; I414-F430 HydrophobicContact CD1-CG 4.27Å; I414-F430 HydrophobicContact CG1-CB 4.11Å; I414-F430 HydrophobicContact CG1-CD1 3.58Å; I414-F430 HydrophobicContact CG1-CE1 4.36Å; I414-F430 HydrophobicContact CG1-CG 4.16Å; L421-F430 HydrophobicContact CD2-CB 4.12Å; L421-F430 HydrophobicContact CD2-CD2 3.44Å; L421-F430 VanDerWaalsContact CD2-CD2 3.44Å; L421-F430 HydrophobicContact CD2-CE2 3.9Å; L421-F430 HydrophobicContact CD2-CG 3.82Å; W426-F430 HydrophobicContact CB-CD2 4.25Å; W426-F430 HydrophobicContact CB-CE2 4.32Å; W426-F430 HydrophobicContact CE3-CE2 4.09Å; W426-F430 PolarHBondContact O-N 2.95Å; E427-F430 PolarHBondContact O-N 3.34Å; F430-K432 PolarHBondContact O-N 2.65Å; F430-K433 PolarHBondContact O-N 2.96Å; F430-I434 PolarHBondContact O-N 3.25Å; F430-I434 VanDerWaalsContact O-N 3.09Å; F430-M981 HydrophobicContact CB-CE 4.47Å; F430-F1304 HydrophobicContact CE1-CB 3.99Å; F430-F1304 AromaticContact CE1-CD1 3.85Å; F430-F1304 HydrophobicContact CE1-CD1 3.85Å; F430-F1304 HydrophobicContact CE1-CD2 4.34Å; F430-F1304 HydrophobicContact CE1-CE1 4.45Å; F430-F1304 AromaticContact CE1-CG 3.79Å; F430-F1304 HydrophobicContact CE1-CG 3.79Å; F430-F1304 HydrophobicContact CE2-CD2 4.49Å; F430-F1304 HydrophobicContact CZ-CB 3.94Å; F430-F1304 AromaticContact CZ-CD1 4Å; F430-F1304 HydrophobicContact CZ-CD1 4Å; F430-F1304 AromaticContact CZ-CD2 3.66Å; F430-F1304 HydrophobicContact CZ-CD2 3.66Å; F430-F1304 HydrophobicContact CZ-CE1 4.46Å; F430-F1304 HydrophobicContact CZ-CE2 4.16Å; F430-F1304 AromaticContact CZ-CG 3.58Å; F430-F1304 HydrophobicContact CZ-CG 3.58Å; F430-M1310 HydrophobicContact CE1-CE 4.21Å; F430-M1310 HydrophobicContact CZ-CE 3.79Å; F430-P1314 HydrophobicContact CE2-CB 4.48Å
431E93.4Very high93Very high40 Ų4033.8 Ų33.819%0.18716%0.164CC..Hα-helixtrans-57.2-47.7172.2-176.8174.2-17500111.3E427 K433 I434 E435 I977 H978E427-E431 WeakPolarHBondContact O-CB 3.28Å; E427-E431 PolarHBondContact O-N 3.17Å; E431-K433 VanDerWaalsContact C-N 3.31Å; E431-K433 PolarHBondContact O-N 3.41Å; E431-I434 WeakPolarHBondContact O-CB 3.36Å; E431-I434 PolarHBondContact O-N 3.34Å; E431-I434 VanDerWaalsContact O-N 3.17Å; E431-E435 PolarHBondContact O-N 2.67Å; E431-I977 HydrophobicContact CG-CG2 4.14Å; E431-H978 WeakPolarHBondContact OE1-CA 3.42Å; E431-H978 WeakPolarHBondContact OE1-CB 3.09Å; E431-H978 IonicContact OE1-CG 2.78Å; E431-H978 IonicContact OE1-ND1 2.79Å; E431-H978 PolarHBondContact OE1-ND1 3.42Å; E431-H978 IonicContact OE2-ND1 3.99Å
432K92.9Very high93Very high136 Ų13634 Ų3459%0.59117%0.165SC*.Hα-helixtrans-61.1-36.5177-171.5174.9-177.7179.20112.8P428 F430 E435 L436P428-K432 WeakPolarHBondContact O-CB 3.48Å; P428-K432 PolarHBondContact O-N 2.73Å; P428-K432 VanDerWaalsContact O-N 3.1Å; F430-K432 PolarHBondContact O-N 2.65Å; K432-E435 PolarHBondContact O-N 2.99Å; K432-L436 VanDerWaalsContact O-CG 3.31Å; K432-L436 WeakPolarHBondContact O-CG 3.22Å; K432-L436 PolarHBondContact O-N 3.26Å
433K92.1Very high93Very high52 Ų5241.8 Ų41.823%0.22619%0.194CC..Hα-helixtrans-65.2-42.7175.4-73.4173.9-173.41640112L410 S429 F430 E431 E435 L436 I437 M1310L410-K433 HydrophobicContact CD2-CB 3.87Å; S429-K433 WeakPolarHBondContact O-CG 3.3Å; S429-K433 PolarHBondContact O-N 2.95Å; F430-K433 PolarHBondContact O-N 2.96Å; E431-K433 VanDerWaalsContact C-N 3.31Å; E431-K433 PolarHBondContact O-N 3.41Å; K433-E435 VanDerWaalsContact C-N 3.3Å; K433-E435 PolarHBondContact O-N 3.47Å; K433-L436 PolarHBondContact O-N 2.92Å; K433-I437 WeakPolarHBondContact O-CG1 3.4Å; K433-I437 PolarHBondContact O-N 3.04Å; K433-I437 VanDerWaalsContact O-N 3.16Å; K433-M1310 PolarHBondContact NZ-SD 3.34Å
434I94.2Very high93.1Very high3 Ų343.5 Ų43.52%0.01520%0.203CC..Hα-helixtrans-58.7-46.3173.9-67.7166.6000109.8R407 L410 V411 I414 F430 E431 L436 I437 R438 I977R407-I434 HydrophobicContact CG-CG2 4.28Å; L410-I434 HydrophobicContact CD2-CG1 3.85Å; L410-I434 HydrophobicContact CG-CG1 4.29Å; V411-I434 HydrophobicContact CG2-CD1 3.89Å; V411-I434 HydrophobicContact CG2-CG1 4.23Å; I414-I434 HydrophobicContact CD1-CD1 3.5Å; I414-I434 HydrophobicContact CD1-CG1 4.03Å; F430-I434 PolarHBondContact O-N 3.25Å; F430-I434 VanDerWaalsContact O-N 3.09Å; E431-I434 WeakPolarHBondContact O-CB 3.36Å; E431-I434 PolarHBondContact O-N 3.34Å; E431-I434 VanDerWaalsContact O-N 3.17Å; I434-L436 PolarHBondContact O-N 3.21Å; I434-I437 PolarHBondContact O-N 3.08Å; I434-R438 WeakPolarHBondContact O-CB 3.41Å; I434-R438 PolarHBondContact O-N 3.42Å; I434-I977 HydrophobicContact CD1-CD1 4.48Å; I434-I977 HydrophobicContact CD1-CG2 4.06Å; I434-I977 HydrophobicContact CG2-CG1 4.26Å
435E94Very high93.1Very high89 Ų8943.6 Ų43.642%0.41620%0.204SC..Hα-helixtrans-60.8-42.6179.8-159.3-159.7147.900112.3E431 K432 K433 I437 R438 N439E431-E435 PolarHBondContact O-N 2.67Å; K432-E435 PolarHBondContact O-N 2.99Å; K433-E435 VanDerWaalsContact C-N 3.3Å; K433-E435 PolarHBondContact O-N 3.47Å; E435-I437 PolarHBondContact O-N 3.33Å; E435-R438 PolarHBondContact O-N 2.92Å; E435-N439 WeakPolarHBondContact O-CB 3.45Å; E435-N439 PolarHBondContact O-N 2.88Å; E435-N439 PolarHBondContact O-ND2 3.08Å; E435-N439 PolarHBondContact OE1-ND2 2.75Å
436L94.4Very high93.1Very high99 Ų9946.3 Ų46.352%0.51822%0.215SC..Hα-helixtrans-61.3-40.8176.6-72.7173.4000112.7K432 K433 I434 K440K432-L436 VanDerWaalsContact O-CG 3.31Å; K432-L436 WeakPolarHBondContact O-CG 3.22Å; K432-L436 PolarHBondContact O-N 3.26Å; K433-L436 PolarHBondContact O-N 2.92Å; I434-L436 PolarHBondContact O-N 3.21Å; L436-K440 PolarHBondContact O-N 2.83Å
437I94.6Very high93Very high34 Ų3450.7 Ų50.717%0.17424%0.236CC..Hα-helixtrans-67.6-45.8175.1-61.8170000109.6L403 R407 L410 K433 I434 E435 N439 K440 E441L403-I437 WeakPolarHBondContact O-CG2 3.13Å; R407-I437 HydrophobicContact CB-CG2 3.84Å; L410-I437 HydrophobicContact CD2-CD1 3.89Å; K433-I437 WeakPolarHBondContact O-CG1 3.4Å; K433-I437 PolarHBondContact O-N 3.04Å; K433-I437 VanDerWaalsContact O-N 3.16Å; I434-I437 PolarHBondContact O-N 3.08Å; E435-I437 PolarHBondContact O-N 3.33Å; I437-N439 VanDerWaalsContact C-N 3.35Å; I437-N439 PolarHBondContact O-N 3.43Å; I437-K440 WeakPolarHBondContact O-CB 3.47Å; I437-K440 PolarHBondContact O-N 3.07Å; I437-K440 VanDerWaalsContact O-N 3.12Å; I437-E441 PolarHBondContact O-N 3.06Å
438R95.1Very high92.9Very high1 Ų150.3 Ų50.30%0.00423%0.234CC..Hα-helixtrans-60.5-41179.5-175.359.3173.3167.90.1112.2I434 E435 K440 E441 I442 G969 D1008I434-R438 WeakPolarHBondContact O-CB 3.41Å; I434-R438 PolarHBondContact O-N 3.42Å; E435-R438 PolarHBondContact O-N 2.92Å; R438-K440 VanDerWaalsContact C-N 3.27Å; R438-K440 PolarHBondContact O-N 3.46Å; R438-E441 WeakPolarHBondContact CD-OE2 3.38Å; R438-E441 IonicContact CZ-OE2 2.59Å; R438-E441 VanDerWaalsContact NH1-CD 3.31Å; R438-E441 IonicContact NH1-OE1 3.33Å; R438-E441 IonicContact NH1-OE2 2.63Å; R438-E441 PolarHBondContact NH1-OE2 2.82Å; R438-E441 WeakPolarHBondContact O-CA 3.42Å; R438-E441 WeakPolarHBondContact O-CB 3.48Å; R438-E441 PolarHBondContact O-N 2.75Å; R438-I442 HydrophobicContact CG-CG1 4.24Å; R438-I442 WeakPolarHBondContact O-CG1 3.06Å; R438-I442 PolarHBondContact O-N 3.38Å; R438-G969 PolarHBondContact NH2-O 3.09Å; R438-D1008 IonicContact CZ-OD1 3.78Å; R438-D1008 IonicContact CZ-OD2 3.18Å; R438-D1008 VanDerWaalsContact CZ-OD2 3.23Å; R438-D1008 IonicContact NH1-OD2 3.79Å; R438-D1008 PolarHBondContact NH1-OD2 3.36Å; R438-D1008 IonicContact NH2-OD1 2.92Å; R438-D1008 PolarHBondContact NH2-OD1 3.26Å; R438-D1008 IonicContact NH2-OD2 3.29Å; R438-D1008 PolarHBondContact NH2-OD2 3.47Å
439N94.9Very high92.7Very high48 Ų4848.4 Ų48.426%0.25722%0.223SC..Hα-helixtrans-63.7-29.8176.7-80.1-34.8000113.3E435 I437 R443E435-N439 WeakPolarHBondContact O-CB 3.45Å; E435-N439 PolarHBondContact O-N 2.88Å; E435-N439 PolarHBondContact O-ND2 3.08Å; E435-N439 PolarHBondContact OE1-ND2 2.75Å; I437-N439 VanDerWaalsContact C-N 3.35Å; I437-N439 PolarHBondContact O-N 3.43Å; N439-R443 PolarHBondContact O-NE 2.67Å
440K95.7Very high92.5Very high113 Ų11353.1 Ų53.149%0.49124%0.239SC..Hα-helixtrans-74.4-40.1170.7-66.8174.1-176.9175.40111L403 L436 I437 R438 R443 L444L403-K440 HydrophobicContact CD1-CB 3.71Å; L403-K440 HydrophobicContact CD2-CB 4.41Å; L436-K440 PolarHBondContact O-N 2.83Å; I437-K440 WeakPolarHBondContact O-CB 3.47Å; I437-K440 PolarHBondContact O-N 3.07Å; I437-K440 VanDerWaalsContact O-N 3.12Å; R438-K440 VanDerWaalsContact C-N 3.27Å; R438-K440 PolarHBondContact O-N 3.46Å; K440-R443 PolarHBondContact O-N 3.23Å; K440-L444 PolarHBondContact O-N 2.97Å
441E93.7Very high92.3Very high0 Ų054.6 Ų54.60%025%0.247CC..Hα-helixtrans-62.2-48.7177.3-168.1-171-17400111.9Q400 L403 I437 R438 R443 L444 L445Q400-E441 HydrophobicContact CG-CG 4.05Å; Q400-E441 PolarHBondContact NE2-OE1 3.48Å; Q400-E441 VanDerWaalsContact NE2-OE1 3.1Å; L403-E441 HydrophobicContact CB-CB 4.39Å; I437-E441 PolarHBondContact O-N 3.06Å; R438-E441 WeakPolarHBondContact CD-OE2 3.38Å; R438-E441 IonicContact CZ-OE2 2.59Å; R438-E441 VanDerWaalsContact NH1-CD 3.31Å; R438-E441 IonicContact NH1-OE1 3.33Å; R438-E441 IonicContact NH1-OE2 2.63Å; R438-E441 PolarHBondContact NH1-OE2 2.82Å; R438-E441 WeakPolarHBondContact O-CA 3.42Å; R438-E441 WeakPolarHBondContact O-CB 3.48Å; R438-E441 PolarHBondContact O-N 2.75Å; E441-R443 PolarHBondContact O-N 3.28Å; E441-L444 WeakPolarHBondContact O-CB 3.3Å; E441-L444 PolarHBondContact O-N 2.88Å; E441-L445 HydrophobicContact CG-CD1 4.26Å; E441-L445 PolarHBondContact O-N 3.23Å
442I92.5Very high92Very high4 Ų455.8 Ų55.82%0.02125%0.25CC..Hα-helixtrans-57.4-37179.1-69.7-66.6000111.5R438 L444 L445 K446 V966 Q970R438-I442 HydrophobicContact CG-CG1 4.24Å; R438-I442 WeakPolarHBondContact O-CG1 3.06Å; R438-I442 PolarHBondContact O-N 3.38Å; I442-L444 VanDerWaalsContact C-N 3.34Å; I442-L444 PolarHBondContact O-N 3.01Å; I442-L445 HydrophobicContact CD1-CD1 4.14Å; I442-L445 PolarHBondContact O-N 3.33Å; I442-K446 HydrophobicContact CG2-CD 4.37Å; I442-K446 WeakPolarHBondContact O-CG 3.46Å; I442-K446 PolarHBondContact O-N 3.31Å; I442-V966 HydrophobicContact CD1-CG1 4.04Å; I442-V966 HydrophobicContact CG2-CG1 3.91Å; I442-Q970 HydrophobicContact CD1-CB 3.84Å; I442-Q970 HydrophobicContact CD1-CG 4.47Å; I442-Q970 HydrophobicContact CG1-CB 4.24Å; I442-Q970 HydrophobicContact CG1-CG 4.35Å
443R93.2Very high91.5Very high164 Ų16449.3 Ų49.362%0.61922%0.222SC*.Hα-helixtrans-61.9-40.4174.8-79.2-177-86.7175.1-11.3112.5N439 K440 E441 H447N439-R443 PolarHBondContact O-NE 2.67Å; K440-R443 PolarHBondContact O-N 3.23Å; E441-R443 PolarHBondContact O-N 3.28Å; R443-H447 PolarHBondContact O-N 2.88Å
444L93Very high91.2Very high38 Ų3851.4 Ų51.420%0.19923%0.231CC..Hα-helixtrans-71.4-38175.4-64.1179.1000111.8I396 K399 Q400 L403 K440 E441 I442 K446 H447 L448I396-L444 HydrophobicContact CG2-CD2 4.36Å; K399-L444 HydrophobicContact CB-CD1 3.85Å; Q400-L444 HydrophobicContact CB-CB 4.11Å; Q400-L444 HydrophobicContact CB-CD1 4.08Å; Q400-L444 HydrophobicContact CG-CB 4.49Å; L403-L444 HydrophobicContact CD1-CD1 3.72Å; K440-L444 PolarHBondContact O-N 2.97Å; E441-L444 WeakPolarHBondContact O-CB 3.3Å; E441-L444 PolarHBondContact O-N 2.88Å; I442-L444 VanDerWaalsContact C-N 3.34Å; I442-L444 PolarHBondContact O-N 3.01Å; L444-K446 VanDerWaalsContact C-N 3.35Å; L444-H447 PolarHBondContact O-N 2.76Å; L444-L448 WeakPolarHBondContact O-CG 3.22Å; L444-L448 PolarHBondContact O-N 3.09Å
445L90.5Very high90.7Very high7 Ų752.6 Ų52.64%0.03724%0.238CC..Hα-helixtrans-61.4-41.3174-72.5171.2000111.7Q400 E441 I442 H447 L448 A449 V966 D1008Q400-L445 HydrophobicContact CG-CD2 4.11Å; Q400-L445 HydrophobicContact CG-CG 4.28Å; E441-L445 HydrophobicContact CG-CD1 4.26Å; E441-L445 PolarHBondContact O-N 3.23Å; I442-L445 HydrophobicContact CD1-CD1 4.14Å; I442-L445 PolarHBondContact O-N 3.33Å; L445-H447 PolarHBondContact O-N 2.89Å; L445-L448 PolarHBondContact O-N 3.32Å; L445-A449 VanDerWaalsContact O-CB 3.29Å; L445-A449 WeakPolarHBondContact O-CB 3.36Å; L445-A449 PolarHBondContact O-N 2.85Å; L445-V966 HydrophobicContact CB-CG1 4.2Å; L445-V966 HydrophobicContact CB-CG2 4.26Å; L445-D1008 HydrophobicContact CD1-CB 4.39Å
446K90.6Very high90.1Very high59 Ų5948.9 Ų48.926%0.25722%0.222SC..Hα-helixtrans-60.2-44.3172.5-72.8178.7-178.11790112I442 L444 A449 Y450 V966I442-K446 HydrophobicContact CG2-CD 4.37Å; I442-K446 WeakPolarHBondContact O-CG 3.46Å; I442-K446 PolarHBondContact O-N 3.31Å; L444-K446 VanDerWaalsContact C-N 3.35Å; K446-A449 WeakPolarHBondContact O-CB 3.46Å; K446-A449 PolarHBondContact O-N 2.97Å; K446-Y450 WeakPolarHBondContact O-CD2 3.38Å; K446-Y450 PolarHBondContact O-N 3.46Å; K446-Y450 VanDerWaalsContact O-N 3.08Å; K446-V966 HydrophobicContact CG-CG1 3.89Å
447H90.9Very high89.5Confident105 Ų10546.4 Ų46.449%0.48621%0.208SC..Hα-helixtrans-65.9-40.7177.9-168.258.1000112.5I396 R443 L444 L445 Y450 L451I396-H447 WeakPolarHBondContact CD1-CD2 3.42Å; R443-H447 PolarHBondContact O-N 2.88Å; L444-H447 PolarHBondContact O-N 2.76Å; L445-H447 PolarHBondContact O-N 2.89Å; H447-Y450 PolarHBondContact O-N 2.92Å; H447-L451 PolarHBondContact O-N 2.91Å; H447-L451 VanDerWaalsContact O-N 3.11Å
448L90.1Very high88.9Confident1 Ų146.4 Ų46.41%0.00521%0.208CC..Hα-helixtrans-63.3-39.6172.4-77.6172.4000112.3Q393 I396 Q400 L444 L445 L451 R452Q393-L448 HydrophobicContact CG-CD2 4.1Å; I396-L448 HydrophobicContact CB-CD2 3.74Å; I396-L448 HydrophobicContact CB-CG 4.2Å; I396-L448 HydrophobicContact CD1-CD2 4.48Å; I396-L448 HydrophobicContact CG2-CD1 4.18Å; I396-L448 HydrophobicContact CG2-CD2 3.7Å; I396-L448 HydrophobicContact CG2-CG 3.56Å; Q400-L448 HydrophobicContact CB-CD1 4.41Å; L444-L448 WeakPolarHBondContact O-CG 3.22Å; L444-L448 PolarHBondContact O-N 3.09Å; L445-L448 PolarHBondContact O-N 3.32Å; L448-L451 PolarHBondContact O-N 3.32Å; L448-R452 WeakPolarHBondContact O-CB 3.44Å; L448-R452 VanDerWaalsContact O-CG 3.29Å; L448-R452 WeakPolarHBondContact O-CG 3.22Å; L448-R452 PolarHBondContact O-N 3.35Å
449A86.3Confident88.3Confident9 Ų952.6 Ų52.67%0.07423%0.231CC..Hα-helixtrans-58.7-46.7175.800000111.5L445 K446 R452 G453 V966L445-A449 VanDerWaalsContact O-CB 3.29Å; L445-A449 WeakPolarHBondContact O-CB 3.36Å; L445-A449 PolarHBondContact O-N 2.85Å; K446-A449 WeakPolarHBondContact O-CB 3.46Å; K446-A449 PolarHBondContact O-N 2.97Å; A449-R452 PolarHBondContact O-N 3.21Å; A449-G453 PolarHBondContact O-N 3.46Å; A449-V966 HydrophobicContact CB-CG2 4.41Å
450Y87.8Confident87.5Confident113 Ų11351.7 Ų51.744%0.44323%0.227SC..Hα-helixtrans-62.3-44.8175.7-63.7-45.6000112.6K446 H447 G453 F454 L959K446-Y450 WeakPolarHBondContact O-CD2 3.38Å; K446-Y450 PolarHBondContact O-N 3.46Å; K446-Y450 VanDerWaalsContact O-N 3.08Å; H447-Y450 PolarHBondContact O-N 2.92Å; Y450-G453 PolarHBondContact O-N 2.82Å; Y450-F454 PolarHBondContact O-N 3.42Å; Y450-L959 HydrophobicContact CD1-CD2 3.79Å
451L88.6Confident86.8Confident31 Ų3146.9 Ų46.916%0.16221%0.208CC..Hα-helixtrans-62.2-44.9177.4-171.570.2000111.7I389 L392 Q393 I396 H447 L448 G453 F454 V455I389-L451 HydrophobicContact CG2-CD1 4.08Å; I389-L451 HydrophobicContact CG2-CG 4.23Å; L392-L451 HydrophobicContact CB-CD2 4.34Å; Q393-L451 HydrophobicContact CB-CD2 3.79Å; Q393-L451 HydrophobicContact CG-CD2 4.5Å; I396-L451 HydrophobicContact CD1-CD2 4.11Å; H447-L451 PolarHBondContact O-N 2.91Å; H447-L451 VanDerWaalsContact O-N 3.11Å; L448-L451 PolarHBondContact O-N 3.32Å; L451-G453 VanDerWaalsContact C-N 3.34Å; L451-G453 PolarHBondContact O-N 2.8Å; L451-F454 PolarHBondContact O-N 2.85Å; L451-V455 WeakPolarHBondContact O-CG2 3.23Å; L451-V455 PolarHBondContact O-N 2.76Å
452R86Confident86.4Confident65 Ų6547.2 Ų47.225%0.24521%0.211CC..Hα-helixtrans-63.9-37.5176.6-75.2177.1179.2169.23.4112L448 A449 V455 S456 N1009L448-R452 WeakPolarHBondContact O-CB 3.44Å; L448-R452 VanDerWaalsContact O-CG 3.29Å; L448-R452 WeakPolarHBondContact O-CG 3.22Å; L448-R452 PolarHBondContact O-N 3.35Å; A449-R452 PolarHBondContact O-N 3.21Å; R452-V455 PolarHBondContact O-N 2.79Å; R452-S456 WeakPolarHBondContact O-CB 3.34Å; R452-S456 PolarHBondContact O-N 2.93Å; R452-N1009 PolarHBondContact NH1-OD1 2.58Å; R452-N1009 PolarHBondContact NH2-OD1 3.36Å
453G83.3Confident85.9Confident1 Ų148.7 Ų48.71%0.0122%0.22CC..Hα-helixtrans-59.3-47.517300000111.8A449 Y450 L451 V455 S456 F457A449-G453 PolarHBondContact O-N 3.46Å; Y450-G453 PolarHBondContact O-N 2.82Å; L451-G453 VanDerWaalsContact C-N 3.34Å; L451-G453 PolarHBondContact O-N 2.8Å; G453-V455 PolarHBondContact O-N 3.23Å; G453-S456 WeakPolarHBondContact O-CB 3.41Å; G453-S456 PolarHBondContact O-N 3.34Å; G453-F457 PolarHBondContact O-N 3.27Å
454F85.3Confident85.4Confident96 Ų9641.7 Ų41.742%0.42119%0.194SC..Hα-helixtrans-64.1-40.4176.3-174.1-105.4000113.1Y450 L451 S456 F457 L458Y450-F454 PolarHBondContact O-N 3.42Å; L451-F454 PolarHBondContact O-N 2.85Å; F454-S456 VanDerWaalsContact C-N 3.34Å; F454-S456 PolarHBondContact O-N 2.71Å; F454-F457 HydrophobicContact CD2-CD1 4.32Å; F454-F457 HydrophobicContact CE2-CD1 4.22Å; F454-F457 WeakPolarHBondContact O-CB 3.35Å; F454-F457 PolarHBondContact O-N 3.33Å; F454-L458 HydrophobicContact CD1-CD1 3.98Å; F454-L458 HydrophobicContact CD1-CG 4.43Å; F454-L458 HydrophobicContact CE1-CD1 3.57Å; F454-L458 HydrophobicContact CE1-CG 4.06Å; F454-L458 HydrophobicContact CZ-CD1 4.22Å; F454-L458 HydrophobicContact CZ-CD2 4.35Å; F454-L458 HydrophobicContact CZ-CG 4.28Å; F454-L458 PolarHBondContact O-N 3.35Å
455V85.2Confident85Confident27 Ų2743 Ų4316%0.16420%0.201CC..Hα-helixtrans-60.1-45.2172.51720000111I389 L451 R452 G453 F457 L458 W459I389-V455 HydrophobicContact CB-CG2 4.32Å; I389-V455 HydrophobicContact CD1-CG2 4.42Å; I389-V455 HydrophobicContact CG2-CG2 3.2Å; L451-V455 WeakPolarHBondContact O-CG2 3.23Å; L451-V455 PolarHBondContact O-N 2.76Å; R452-V455 PolarHBondContact O-N 2.79Å; G453-V455 PolarHBondContact O-N 3.23Å; V455-F457 VanDerWaalsContact C-N 3.27Å; V455-F457 PolarHBondContact O-N 3.08Å; V455-L458 PolarHBondContact O-N 3.36Å; V455-W459 VanDerWaalsContact O-CD1 3.3Å; V455-W459 PolarHBondContact O-N 3.45Å
456S79.6Confident84.8Confident12 Ų1243.6 Ų43.68%0.08420%0.204CC..Hα-helixtrans-59.5-40177.4-1700000111.5R452 G453 F454 T460 R1016R452-S456 WeakPolarHBondContact O-CB 3.34Å; R452-S456 PolarHBondContact O-N 2.93Å; G453-S456 WeakPolarHBondContact O-CB 3.41Å; G453-S456 PolarHBondContact O-N 3.34Å; F454-S456 VanDerWaalsContact C-N 3.34Å; F454-S456 PolarHBondContact O-N 2.71Å; S456-T460 WeakPolarHBondContact O-CB 3.34Å; S456-T460 PolarHBondContact O-N 3.24Å; S456-T460 PolarHBondContact O-OG1 3.08Å; S456-R1016 PolarHBondContact OG-NH1 3.48Å
457F81.8Confident84.7Confident47 Ų4740.9 Ų40.921%0.20619%0.193CC..Hα-helixtrans-61.1-50.7173.7165.2-101.8000111.8G453 F454 V455 W459 T460 C461 G951 L955G453-F457 PolarHBondContact O-N 3.27Å; F454-F457 HydrophobicContact CD2-CD1 4.32Å; F454-F457 HydrophobicContact CE2-CD1 4.22Å; F454-F457 WeakPolarHBondContact O-CB 3.35Å; F454-F457 PolarHBondContact O-N 3.33Å; V455-F457 VanDerWaalsContact C-N 3.27Å; V455-F457 PolarHBondContact O-N 3.08Å; F457-W459 VanDerWaalsContact C-N 3.32Å; F457-W459 PolarHBondContact O-N 3.21Å; F457-T460 PolarHBondContact O-N 2.58Å; F457-C461 VanDerWaalsContact CD2-SG 3.57Å; F457-C461 WeakPolarHBondContact CE2-SG 3.22Å; F457-C461 WeakPolarHBondContact O-CB 3.34Å; F457-C461 PolarHBondContact O-N 3.21Å; F457-C461 PolarHBondContact O-SG 2.97Å; F457-C461 VanDerWaalsContact O-SG 3.33Å; F457-G951 WeakPolarHBondContact CD2-O 3.19Å; F457-L955 HydrophobicContact CB-CB 4.16Å; F457-L955 HydrophobicContact CB-CD1 3.76Å; F457-L955 HydrophobicContact CB-CG 4.45Å; F457-L955 HydrophobicContact CD2-CB 3.84Å; F457-L955 HydrophobicContact CD2-CD2 4.36Å; F457-L955 HydrophobicContact CG-CB 4.23Å; F457-L955 HydrophobicContact CG-CD1 4.2Å; F457-L955 HydrophobicContact CG-CD2 4.45Å
458L83.1Confident84.6Confident33 Ų3337.1 Ų37.117%0.17318%0.177CC..Hα-helixtrans-57-44.3177.6-72.3173.5000112.4L385 I389 F454 V455 C461 A462L385-L458 HydrophobicContact CD2-CD1 3.99Å; L385-L458 HydrophobicContact CD2-CD2 4.32Å; L385-L458 HydrophobicContact CG-CD1 4.43Å; I389-L458 HydrophobicContact CD1-CD1 3.39Å; F454-L458 HydrophobicContact CD1-CD1 3.98Å; F454-L458 HydrophobicContact CD1-CG 4.43Å; F454-L458 HydrophobicContact CE1-CD1 3.57Å; F454-L458 HydrophobicContact CE1-CG 4.06Å; F454-L458 HydrophobicContact CZ-CD1 4.22Å; F454-L458 HydrophobicContact CZ-CD2 4.35Å; F454-L458 HydrophobicContact CZ-CG 4.28Å; F454-L458 PolarHBondContact O-N 3.35Å; V455-L458 PolarHBondContact O-N 3.36Å; L458-C461 PolarHBondContact O-N 2.99Å; L458-A462 WeakPolarHBondContact O-CB 3.49Å; L458-A462 PolarHBondContact O-N 3.41Å
459W81.8Confident84.6Confident131 Ų13139.2 Ų39.250%0.49619%0.19SC..Hα-helixtrans-69.5-31179.2-85.499.4000114.1N386 V455 F457 P463N386-W459 WeakPolarHBondContact ND2-CZ2 3.47Å; N386-W459 PolarHBondContact OD1-NE1 3.41Å; V455-W459 VanDerWaalsContact O-CD1 3.3Å; V455-W459 PolarHBondContact O-N 3.45Å; F457-W459 VanDerWaalsContact C-N 3.32Å; F457-W459 PolarHBondContact O-N 3.21Å; W459-P463 WeakPolarHBondContact O-CD 3.36Å
460T79.1Confident84.8Confident30 Ų3038.9 Ų38.918%0.18419%0.187CC..Hα-helixtrans-74.7-43.3176.4-570000110.5S456 F457 I954S456-T460 WeakPolarHBondContact O-CB 3.34Å; S456-T460 PolarHBondContact O-N 3.24Å; S456-T460 PolarHBondContact O-OG1 3.08Å; F457-T460 PolarHBondContact O-N 2.58Å; T460-I954 HydrophobicContact CG2-CB 4.4Å; T460-I954 HydrophobicContact CG2-CD1 3.34Å; T460-I954 HydrophobicContact CG2-CG1 4.42Å; T460-I954 HydrophobicContact CG2-CG2 4.04Å
461C81Confident84.9Confident12 Ų1233.6 Ų33.68%0.08117%0.166CC..Hα-helixtrans-74.6-30.1-179-66.30000112.6F457 L458 F464 L465 G951F457-C461 VanDerWaalsContact CD2-SG 3.57Å; F457-C461 WeakPolarHBondContact CE2-SG 3.22Å; F457-C461 WeakPolarHBondContact O-CB 3.34Å; F457-C461 PolarHBondContact O-N 3.21Å; F457-C461 PolarHBondContact O-SG 2.97Å; F457-C461 VanDerWaalsContact O-SG 3.33Å; L458-C461 PolarHBondContact O-N 2.99Å; C461-F464 PolarHBondContact O-N 3.38Å; C461-F464 VanDerWaalsContact O-N 3.1Å; C461-L465 HydrophobicContact CB-CD1 4.01Å; C461-L465 HydrophobicContact CB-CG 4.39Å; C461-L465 WeakPolarHBondContact O-CB 3.26Å; C461-L465 VanDerWaalsContact O-CG 3.29Å; C461-L465 WeakPolarHBondContact O-CG 3.39Å; C461-L465 PolarHBondContact O-N 3.17Å; C461-G951 VanDerWaalsContact SG-CA 3.59Å
462A83.8Confident85Confident7 Ų733 Ų336%0.05817%0.165CC..Hα-helixtrans-54.8-52.3-176.400000114.1L382 L458 F464 L465 I466L382-A462 HydrophobicContact CD1-CB 3.49Å; L382-A462 VanDerWaalsContact CD1-CB 3.49Å; L458-A462 WeakPolarHBondContact O-CB 3.49Å; L458-A462 PolarHBondContact O-N 3.41Å; A462-F464 VanDerWaalsContact C-N 3.27Å; A462-F464 PolarHBondContact O-N 3.29Å; A462-L465 PolarHBondContact O-N 3.41Å; A462-I466 WeakPolarHBondContact O-CD1 3.16Å; A462-I466 VanDerWaalsContact O-CG1 3.23Å; A462-I466 WeakPolarHBondContact O-CG1 3.47Å; A462-I466 PolarHBondContact O-N 3.44Å
463P82Confident85.1Confident34 Ų3432.4 Ų32.422%0.22117%0.169CC..Hα-helixtrans-44.1-48.4169.4-4043.2000115.4W459 V467 R499W459-P463 WeakPolarHBondContact O-CD 3.36Å; P463-V467 VanDerWaalsContact O-CG2 3.31Å; P463-V467 WeakPolarHBondContact O-CG2 3.25Å; P463-V467 PolarHBondContact O-N 2.91Å; P463-R499 VanDerWaalsContact CB-CZ 3.42Å; P463-R499 PolarHBondContact O-NH2 3.4Å
464F82.8Confident85.5Confident17 Ų1733.6 Ų33.68%0.07517%0.174CC..Hα-helixtrans-73-45.6-176.9168.3-95.7000111C461 A462 I466 V467 V468 Y943 G947C461-F464 PolarHBondContact O-N 3.38Å; C461-F464 VanDerWaalsContact O-N 3.1Å; A462-F464 VanDerWaalsContact C-N 3.27Å; A462-F464 PolarHBondContact O-N 3.29Å; F464-I466 VanDerWaalsContact C-N 3.32Å; F464-I466 PolarHBondContact O-N 3.15Å; F464-V467 WeakPolarHBondContact O-CB 3.2Å; F464-V467 PolarHBondContact O-N 3.2Å; F464-V467 VanDerWaalsContact O-N 3.11Å; F464-V468 HydrophobicContact CD1-CG2 4.16Å; F464-V468 HydrophobicContact CD2-CG2 4.42Å; F464-V468 HydrophobicContact CE1-CG2 3.56Å; F464-V468 HydrophobicContact CE2-CG2 3.87Å; F464-V468 HydrophobicContact CZ-CG2 3.37Å; F464-V468 WeakPolarHBondContact O-CG2 2.94Å; F464-V468 PolarHBondContact O-N 2.78Å; F464-Y943 HydrophobicContact CD2-CE1 4.09Å; F464-Y943 AromaticContact CE2-CD1 3.83Å; F464-Y943 HydrophobicContact CE2-CD1 3.83Å; F464-Y943 AromaticContact CE2-CE1 3.49Å; F464-Y943 HydrophobicContact CE2-CE1 3.49Å; F464-Y943 VanDerWaalsContact CE2-CE1 3.49Å; F464-Y943 HydrophobicContact CE2-CE2 4.24Å; F464-Y943 HydrophobicContact CE2-CG 4.32Å; F464-Y943 AromaticContact CE2-CZ 3.72Å; F464-Y943 WeakPolarHBondContact CE2-O 2.84Å; F464-Y943 HydrophobicContact CZ-CD1 4.19Å; F464-Y943 HydrophobicContact CZ-CE1 4.19Å; F464-Y943 WeakPolarHBondContact CZ-O 3.43Å; F464-G947 VanDerWaalsContact CE1-CA 3.49Å
465L85.4Confident85.6Confident66 Ų6629.9 Ų29.935%0.34616%0.159SC..Hα-helixtrans-62.1-38.2178.2-70.1173000112F378 C461 A462 V467 V468 V469F378-L465 HydrophobicContact CE1-CB 3.81Å; F378-L465 HydrophobicContact CE2-CB 4.46Å; F378-L465 HydrophobicContact CZ-CB 3.63Å; F378-L465 HydrophobicContact CZ-CD1 3.8Å; F378-L465 HydrophobicContact CZ-CG 4.36Å; C461-L465 HydrophobicContact CB-CD1 4.01Å; C461-L465 HydrophobicContact CB-CG 4.39Å; C461-L465 WeakPolarHBondContact O-CB 3.26Å; C461-L465 VanDerWaalsContact O-CG 3.29Å; C461-L465 WeakPolarHBondContact O-CG 3.39Å; C461-L465 PolarHBondContact O-N 3.17Å; A462-L465 PolarHBondContact O-N 3.41Å; L465-V467 VanDerWaalsContact C-N 3.33Å; L465-V467 PolarHBondContact O-N 2.99Å; L465-V468 PolarHBondContact O-N 2.91Å; L465-V469 WeakPolarHBondContact O-CB 3.34Å; L465-V469 WeakPolarHBondContact O-CG2 3.21Å; L465-V469 PolarHBondContact O-N 2.89Å
466I86.8Confident85.7Confident20 Ų2034.1 Ų34.110%0.10318%0.18CC..Hα-helixtrans-59.7-45.9173.6-69.4160.7000110.5F378 L379 A462 F464 V469 V470 M495F378-I466 HydrophobicContact CD1-CD1 4.48Å; F378-I466 HydrophobicContact CD1-CG1 3.53Å; F378-I466 HydrophobicContact CE1-CG1 3.91Å; L379-I466 HydrophobicContact CB-CD1 4.37Å; L379-I466 HydrophobicContact CD1-CD1 4.03Å; A462-I466 WeakPolarHBondContact O-CD1 3.16Å; A462-I466 VanDerWaalsContact O-CG1 3.23Å; A462-I466 WeakPolarHBondContact O-CG1 3.47Å; A462-I466 PolarHBondContact O-N 3.44Å; F464-I466 VanDerWaalsContact C-N 3.32Å; F464-I466 PolarHBondContact O-N 3.15Å; I466-V469 PolarHBondContact O-N 3.5Å; I466-V470 HydrophobicContact CG2-CG2 4.43Å; I466-V470 WeakPolarHBondContact O-CG2 3.47Å; I466-V470 PolarHBondContact O-N 2.94Å; I466-M495 HydrophobicContact CG2-SD 4.32Å
467V88Confident86Confident1 Ų137.3 Ų37.31%0.00620%0.202CC..Hα-helixtrans-63.9-45.4179.5175.50000110.6P463 F464 L465 V469 V470 F471 L492 M495 Y943P463-V467 VanDerWaalsContact O-CG2 3.31Å; P463-V467 WeakPolarHBondContact O-CG2 3.25Å; P463-V467 PolarHBondContact O-N 2.91Å; F464-V467 WeakPolarHBondContact O-CB 3.2Å; F464-V467 PolarHBondContact O-N 3.2Å; F464-V467 VanDerWaalsContact O-N 3.11Å; L465-V467 VanDerWaalsContact C-N 3.33Å; L465-V467 PolarHBondContact O-N 2.99Å; V467-V469 PolarHBondContact O-N 3.42Å; V467-V470 PolarHBondContact O-N 3.18Å; V467-F471 HydrophobicContact CG1-CD2 3.44Å; V467-F471 VanDerWaalsContact CG1-CD2 3.44Å; V467-F471 HydrophobicContact CG1-CE2 3.26Å; V467-F471 HydrophobicContact CG1-CG 4.31Å; V467-F471 HydrophobicContact CG1-CZ 4.01Å; V467-F471 WeakPolarHBondContact O-CB 3.38Å; V467-F471 WeakPolarHBondContact O-CG 3.48Å; V467-F471 PolarHBondContact O-N 3.1Å; V467-L492 HydrophobicContact CG2-CD1 3.94Å; V467-M495 HydrophobicContact CG2-SD 3.7Å; V467-Y943 HydrophobicContact CG1-CE1 4.01Å; V467-Y943 WeakPolarHBondContact CG1-OH 3.19Å
468V89Confident86.2Confident27 Ų2738 Ų3816%0.16421%0.208CC..Hα-helixtrans-58.2-47.5174.9174.30000111F464 L465 A472 Y943F464-V468 HydrophobicContact CD1-CG2 4.16Å; F464-V468 HydrophobicContact CD2-CG2 4.42Å; F464-V468 HydrophobicContact CE1-CG2 3.56Å; F464-V468 HydrophobicContact CE2-CG2 3.87Å; F464-V468 HydrophobicContact CZ-CG2 3.37Å; F464-V468 WeakPolarHBondContact O-CG2 2.94Å; F464-V468 PolarHBondContact O-N 2.78Å; L465-V468 PolarHBondContact O-N 2.91Å; V468-A472 WeakPolarHBondContact O-CA 3.4Å; V468-A472 WeakPolarHBondContact O-CB 3.46Å; V468-A472 PolarHBondContact O-N 3.35Å; V468-Y943 HydrophobicContact CG2-CD1 3.73Å; V468-Y943 HydrophobicContact CG2-CE1 3.7Å
469V90.2Very high86Confident44 Ų4442.3 Ų42.327%0.26724%0.238SC..Hα-helixtrans-62.2-46.1-179.71690000110.8L465 I466 V467 T473L465-V469 WeakPolarHBondContact O-CB 3.34Å; L465-V469 WeakPolarHBondContact O-CG2 3.21Å; L465-V469 PolarHBondContact O-N 2.89Å; I466-V469 PolarHBondContact O-N 3.5Å; V467-V469 PolarHBondContact O-N 3.42Å; V469-T473 WeakPolarHBondContact O-CB 3.25Å; V469-T473 VanDerWaalsContact O-CG2 3.25Å; V469-T473 WeakPolarHBondContact O-CG2 3.33Å; V469-T473 PolarHBondContact O-N 3.21Å; V469-T473 PolarHBondContact O-OG1 2.99Å
470V90.3Very high86Confident3 Ų342.2 Ų42.22%0.01825%0.247CC..Hα-helixtrans-67.9-45.3-178.8174.30000111.4V368 I466 V467 T473 Y474 M495V368-V470 HydrophobicContact CB-CG1 4.34Å; V368-V470 HydrophobicContact CG1-CG1 4.45Å; V368-V470 HydrophobicContact CG2-CG1 3.84Å; I466-V470 HydrophobicContact CG2-CG2 4.43Å; I466-V470 WeakPolarHBondContact O-CG2 3.47Å; I466-V470 PolarHBondContact O-N 2.94Å; V467-V470 PolarHBondContact O-N 3.18Å; V470-T473 WeakPolarHBondContact CA-OG1 3.42Å; V470-T473 PolarHBondContact O-OG1 3.39Å; V470-Y474 WeakPolarHBondContact O-CB 3.48Å; V470-Y474 PolarHBondContact O-N 3.02Å; V470-M495 HydrophobicContact CB-CE 3.62Å; V470-M495 HydrophobicContact CG1-CE 3.46Å; V470-M495 VanDerWaalsContact CG1-CE 3.46Å; V470-M495 HydrophobicContact CG2-CE 3.82Å
471F90.8Very high86.3Confident1 Ų142.6 Ų42.60%0.00425%0.248CC..Hα-helixtrans-72.4-36.9179.5-65.8-20.5000112.8V467 Y474 V475 L483 A488 L920 W923V467-F471 HydrophobicContact CG1-CD2 3.44Å; V467-F471 VanDerWaalsContact CG1-CD2 3.44Å; V467-F471 HydrophobicContact CG1-CE2 3.26Å; V467-F471 HydrophobicContact CG1-CG 4.31Å; V467-F471 HydrophobicContact CG1-CZ 4.01Å; V467-F471 WeakPolarHBondContact O-CB 3.38Å; V467-F471 WeakPolarHBondContact O-CG 3.48Å; V467-F471 PolarHBondContact O-N 3.1Å; F471-Y474 PolarHBondContact O-N 2.9Å; F471-V475 WeakPolarHBondContact O-CG2 3.48Å; F471-V475 PolarHBondContact O-N 3.24Å; F471-L483 HydrophobicContact CB-CD2 4.48Å; F471-L483 HydrophobicContact CD1-CD1 3.74Å; F471-L483 HydrophobicContact CD2-CD1 4.45Å; F471-L483 HydrophobicContact CD2-CD2 4.06Å; F471-L483 HydrophobicContact CE1-CD1 3.84Å; F471-L483 HydrophobicContact CE2-CD2 4.44Å; F471-L483 HydrophobicContact CG-CD1 4.08Å; F471-L483 HydrophobicContact CG-CD2 4.19Å; F471-L483 HydrophobicContact CZ-CD1 4.25Å; F471-A488 HydrophobicContact CZ-CB 4.48Å; F471-L920 HydrophobicContact CD2-CD1 4.09Å; F471-L920 HydrophobicContact CE2-CD1 3.75Å; F471-L920 HydrophobicContact CE2-CD2 4.08Å; F471-W923 HydrophobicContact CB-CH2 4.13Å; F471-W923 HydrophobicContact CB-CZ3 4.49Å; F471-W923 HydrophobicContact CD2-CZ3 4.44Å
472A89Confident86.4Confident18 Ų1846.2 Ų46.215%0.14927%0.266CS..Hα-helixtrans-64.8-45.517400000111.1V468 Y474 L476 I940V468-A472 WeakPolarHBondContact O-CA 3.4Å; V468-A472 WeakPolarHBondContact O-CB 3.46Å; V468-A472 PolarHBondContact O-N 3.35Å; A472-Y474 VanDerWaalsContact C-N 3.32Å; A472-Y474 PolarHBondContact O-N 3.08Å; A472-L476 HydrophobicContact CB-CD1 4.41Å; A472-L476 WeakPolarHBondContact O-CB 3.35Å; A472-L476 WeakPolarHBondContact O-CG 3.08Å; A472-L476 PolarHBondContact O-N 3.47Å; A472-I940 HydrophobicContact CB-CD1 4.19Å; A472-I940 HydrophobicContact CB-CG2 4.36Å
473T89.4Confident86.6Confident53 Ų5346 Ų4633%0.32526%0.264SS..Hα-helixtrans-64.4-37175.450.90000112S371 V469 V470 S477S371-T473 WeakPolarHBondContact CB-OG1 3.47Å; V469-T473 WeakPolarHBondContact O-CB 3.25Å; V469-T473 VanDerWaalsContact O-CG2 3.25Å; V469-T473 WeakPolarHBondContact O-CG2 3.33Å; V469-T473 PolarHBondContact O-N 3.21Å; V469-T473 PolarHBondContact O-OG1 2.99Å; V470-T473 WeakPolarHBondContact CA-OG1 3.42Å; V470-T473 PolarHBondContact O-OG1 3.39Å; T473-S477 WeakPolarHBondContact O-CB 3.35Å; T473-S477 PolarHBondContact O-N 3.09Å; T473-S477 PolarHBondContact O-OG 3Å
474Y90.5Very high86.9Confident26 Ų2645.8 Ų45.810%0.10226%0.261CS..Hα-helixtrans-62.5-56.5176-179-109.2000112.3V368 S371 V470 F471 A472 L476 S477 N481 L483 T487V368-Y474 HydrophobicContact CB-CD2 3.96Å; V368-Y474 HydrophobicContact CB-CE2 4.38Å; V368-Y474 HydrophobicContact CB-CG 4.43Å; V368-Y474 HydrophobicContact CG1-CD2 4.29Å; V368-Y474 HydrophobicContact CG1-CG 4.43Å; V368-Y474 WeakPolarHBondContact O-CD2 3.36Å; S371-Y474 WeakPolarHBondContact OG-CA 3.45Å; S371-Y474 PolarHBondContact OG-N 2.87Å; V470-Y474 WeakPolarHBondContact O-CB 3.48Å; V470-Y474 PolarHBondContact O-N 3.02Å; F471-Y474 PolarHBondContact O-N 2.9Å; A472-Y474 VanDerWaalsContact C-N 3.32Å; A472-Y474 PolarHBondContact O-N 3.08Å; Y474-L476 PolarHBondContact O-N 2.97Å; Y474-S477 PolarHBondContact O-N 3.11Å; Y474-S477 PolarHBondContact O-OG 3.4Å; Y474-N481 HydrophobicContact CD1-CB 4.05Å; Y474-N481 HydrophobicContact CD2-CB 4.05Å; Y474-N481 HydrophobicContact CE1-CB 3.82Å; Y474-N481 HydrophobicContact CE2-CB 3.82Å; Y474-N481 HydrophobicContact CG-CB 4.16Å; Y474-N481 WeakPolarHBondContact O-CB 3.38Å; Y474-N481 PolarHBondContact O-ND2 2.87Å; Y474-L483 HydrophobicContact CD1-CD1 4.45Å; Y474-T487 HydrophobicContact CE1-CG2 3.92Å
475V87.6Confident87.2Confident19 Ų1945 Ų4512%0.11526%0.257CS..Hα-helixtrans-74.2-28.2-174.7-174.20000112.7F471 L483 W923 V936F471-V475 WeakPolarHBondContact O-CG2 3.48Å; F471-V475 PolarHBondContact O-N 3.24Å; V475-L483 HydrophobicContact CG2-CB 3.99Å; V475-W923 HydrophobicContact CG2-CZ2 4.13Å; V475-V936 HydrophobicContact CB-CG1 4.31Å; V475-V936 HydrophobicContact CG1-CB 4.41Å; V475-V936 HydrophobicContact CG1-CG1 3.45Å; V475-V936 VanDerWaalsContact CG1-CG1 3.45Å; V475-V936 HydrophobicContact CG1-CG2 4.04Å
476L87.2Confident87.4Confident116 Ų11644.7 Ų44.761%0.60725%0.254SS*.Hα-helixtrans-86.2-18.3178.2-62.5173000113.9A472 Y474 V936 I940A472-L476 HydrophobicContact CB-CD1 4.41Å; A472-L476 WeakPolarHBondContact O-CB 3.35Å; A472-L476 WeakPolarHBondContact O-CG 3.08Å; A472-L476 PolarHBondContact O-N 3.47Å; Y474-L476 PolarHBondContact O-N 2.97Å; L476-V936 HydrophobicContact CD2-CG1 4.28Å; L476-I940 HydrophobicContact CD1-CD1 4.44Å; L476-I940 HydrophobicContact CG-CD1 4.3Å
477S87.5Confident87.6Confident79 Ų7944.3 Ų44.355%0.55225%0.253SS*.Hα-helixtrans-76.8-35.2-176.755.20000113.8T473 Y474 N481T473-S477 WeakPolarHBondContact O-CB 3.35Å; T473-S477 PolarHBondContact O-N 3.09Å; T473-S477 PolarHBondContact O-OG 3Å; Y474-S477 PolarHBondContact O-N 3.11Å; Y474-S477 PolarHBondContact O-OG 3.4Å; S477-N481 PolarHBondContact OG-ND2 3Å
478D84.6Confident87.7Confident60 Ų6044.3 Ų44.332%0.32125%0.253SS..  trans-144.4127.6177.8-169.4-29.6000108.5N480 N481D478-N480 PolarHBondContact O-N 3.44Å; D478-N480 VanDerWaalsContact O-N 3.11Å; D478-N480 WeakPolarHBondContact OD1-CB 3.27Å; D478-N480 PolarHBondContact OD1-N 3.28Å; D478-N480 PolarHBondContact OD1-ND2 3.1Å; D478-N481 HydrophobicContact CB-CB 4.48Å; D478-N481 WeakPolarHBondContact CB-ND2 2.89Å; D478-N481 VanDerWaalsContact O-CB 3.31Å; D478-N481 WeakPolarHBondContact O-CB 3.48Å; D478-N481 PolarHBondContact O-N 2.83Å
479P79.5Confident87.9Confident124 Ų12443 Ų4381%0.80525%0.245SC*.THydrogen-bonded Turntrans-58.6-19.5174.722.8-33.2000114N481P479-N481 VanDerWaalsContact C-N 3.29Å
480N81.9Confident87.9Confident130 Ų13041 Ų4170%0.69523%0.232SC*.THydrogen-bonded Turntrans-76.9-12.7173.6-59.8-54.8000113.5D478 I482D478-N480 PolarHBondContact O-N 3.44Å; D478-N480 VanDerWaalsContact O-N 3.11Å; D478-N480 WeakPolarHBondContact OD1-CB 3.27Å; D478-N480 PolarHBondContact OD1-N 3.28Å; D478-N480 PolarHBondContact OD1-ND2 3.1Å; N480-I482 PolarHBondContact O-N 3.44Å
481N85.1Confident88Confident38 Ų3840.8 Ų40.820%0.20323%0.232CC..  trans-80.985.3179.9-70.5-18.5000110.8Y474 S477 D478 P479Y474-N481 HydrophobicContact CD1-CB 4.05Å; Y474-N481 HydrophobicContact CD2-CB 4.05Å; Y474-N481 HydrophobicContact CE1-CB 3.82Å; Y474-N481 HydrophobicContact CE2-CB 3.82Å; Y474-N481 HydrophobicContact CG-CB 4.16Å; Y474-N481 WeakPolarHBondContact O-CB 3.38Å; Y474-N481 PolarHBondContact O-ND2 2.87Å; S477-N481 PolarHBondContact OG-ND2 3Å; D478-N481 HydrophobicContact CB-CB 4.48Å; D478-N481 WeakPolarHBondContact CB-ND2 2.89Å; D478-N481 VanDerWaalsContact O-CB 3.31Å; D478-N481 WeakPolarHBondContact O-CB 3.48Å; D478-N481 PolarHBondContact O-N 2.83Å; P479-N481 VanDerWaalsContact C-N 3.29Å
482I83.9Confident87.9Confident88 Ų8841.7 Ų41.745%0.45124%0.236SC..  trans-84.7128.7176.1-57.4175.5000108.8N480 D484 A927N480-I482 PolarHBondContact O-N 3.44Å; I482-D484 VanDerWaalsContact C-N 3.33Å; I482-D484 PolarHBondContact O-N 3Å; I482-A927 HydrophobicContact CG2-CB 3.61Å; I482-A927 VanDerWaalsContact CG2-O 3.23Å; I482-A927 WeakPolarHBondContact CG2-O 3.41Å
483L86.9Confident87.9Confident2 Ų241.3 Ų41.31%0.0123%0.232CC..  trans-79.184.5174.5-173.571.1000109.6F471 Y474 V475 T487 A488 L920 W923 S924 A927F471-L483 HydrophobicContact CB-CD2 4.48Å; F471-L483 HydrophobicContact CD1-CD1 3.74Å; F471-L483 HydrophobicContact CD2-CD1 4.45Å; F471-L483 HydrophobicContact CD2-CD2 4.06Å; F471-L483 HydrophobicContact CE1-CD1 3.84Å; F471-L483 HydrophobicContact CE2-CD2 4.44Å; F471-L483 HydrophobicContact CG-CD1 4.08Å; F471-L483 HydrophobicContact CG-CD2 4.19Å; F471-L483 HydrophobicContact CZ-CD1 4.25Å; Y474-L483 HydrophobicContact CD1-CD1 4.45Å; V475-L483 HydrophobicContact CG2-CB 3.99Å; L483-T487 HydrophobicContact CD1-CG2 4.15Å; L483-A488 HydrophobicContact CD1-CB 4.05Å; L483-A488 HydrophobicContact CD2-CB 4.5Å; L483-A488 HydrophobicContact CG-CB 4.12Å; L483-L920 HydrophobicContact CD2-CD1 4.01Å; L483-W923 HydrophobicContact CB-CZ2 4.34Å; L483-W923 HydrophobicContact CD2-CD2 3.73Å; L483-W923 HydrophobicContact CD2-CE3 3.63Å; L483-W923 HydrophobicContact CD2-CH2 3.51Å; L483-W923 HydrophobicContact CD2-CZ2 3.6Å; L483-W923 HydrophobicContact CD2-CZ3 3.51Å; L483-S924 WeakPolarHBondContact O-CA 3.41Å; L483-A927 WeakPolarHBondContact O-CB 3.42Å
484D89.8Confident88Confident30 Ų3038.8 Ų38.816%0.1622%0.217CC..  trans-79.7167.1175.271.9-17.6000111.9I482 Q486 T487 A488 L928I482-D484 VanDerWaalsContact C-N 3.33Å; I482-D484 PolarHBondContact O-N 3Å; D484-Q486 VanDerWaalsContact C-N 3.26Å; D484-Q486 PolarHBondContact O-N 3.28Å; D484-T487 PolarHBondContact O-N 3.44Å; D484-T487 WeakPolarHBondContact OD1-CA 3.4Å; D484-T487 WeakPolarHBondContact OD1-CB 2.89Å; D484-T487 PolarHBondContact OD1-N 2.8Å; D484-T487 PolarHBondContact OD1-OG1 3.1Å; D484-A488 WeakPolarHBondContact O-CB 3.45Å; D484-A488 PolarHBondContact O-N 2.98Å; D484-L928 HydrophobicContact CB-CD2 4.29Å
485P87.3Confident87.8Confident0 Ų037.9 Ų37.90%021%0.214CC..Hα-helixtrans-57.9-37.7179.7-29.339.8000113.2I256 F489 S924 L928 P1152I256-P485 HydrophobicContact CG2-CB 4.03Å; P485-F489 HydrophobicContact CB-CD2 4.49Å; P485-F489 VanDerWaalsContact O-CD2 3.24Å; P485-F489 WeakPolarHBondContact O-CD2 3.22Å; P485-F489 PolarHBondContact O-N 3.41Å; P485-S924 WeakPolarHBondContact CD-O 3.33Å; P485-L928 HydrophobicContact CG-CD1 4.24Å; P485-P1152 HydrophobicContact CB-CB 4.14Å; P485-P1152 HydrophobicContact CG-CB 4.11Å
486Q90.4Very high87.7Confident59 Ų5938.8 Ų38.828%0.27622%0.218SC..Hα-helixtrans-63.4-53.3178.8-175.2179.4-2100110.6S253 I256 D484 A488 V490S253-Q486 WeakPolarHBondContact OG-CG 3.19Å; S253-Q486 PolarHBondContact OG-NE2 3.16Å; I256-Q486 HydrophobicContact CG2-CB 4.06Å; D484-Q486 VanDerWaalsContact C-N 3.26Å; D484-Q486 PolarHBondContact O-N 3.28Å; Q486-A488 VanDerWaalsContact C-N 3.34Å; Q486-A488 PolarHBondContact O-N 3.4Å; Q486-V490 HydrophobicContact CG-CG2 4.26Å; Q486-V490 WeakPolarHBondContact O-CB 3.36Å; Q486-V490 WeakPolarHBondContact O-CG2 3.28Å; Q486-V490 PolarHBondContact O-N 3.14Å
487T90.3Very high87.8Confident13 Ų1334.6 Ų34.68%0.0820%0.196CC..Hα-helixtrans-60.6-43.7178.5-58.30000110.9V367 V368 Y474 L483 D484 S491V367-T487 HydrophobicContact CG1-CG2 3.91Å; V368-T487 HydrophobicContact CG1-CG2 3.51Å; Y474-T487 HydrophobicContact CE1-CG2 3.92Å; L483-T487 HydrophobicContact CD1-CG2 4.15Å; D484-T487 PolarHBondContact O-N 3.44Å; D484-T487 WeakPolarHBondContact OD1-CA 3.4Å; D484-T487 WeakPolarHBondContact OD1-CB 2.89Å; D484-T487 PolarHBondContact OD1-N 2.8Å; D484-T487 PolarHBondContact OD1-OG1 3.1Å; T487-S491 WeakPolarHBondContact O-CB 3.41Å; T487-S491 PolarHBondContact O-N 3Å; T487-S491 VanDerWaalsContact O-N 3.14Å; T487-S491 PolarHBondContact O-OG 2.87Å
488A90.7Very high87.7Confident0 Ų031.5 Ų31.50%017%0.173CC..Hα-helixtrans-62.9-55.3-178.100000112.9F471 L483 D484 Q486 L492 L920F471-A488 HydrophobicContact CZ-CB 4.48Å; L483-A488 HydrophobicContact CD1-CB 4.05Å; L483-A488 HydrophobicContact CD2-CB 4.5Å; L483-A488 HydrophobicContact CG-CB 4.12Å; D484-A488 WeakPolarHBondContact O-CB 3.45Å; D484-A488 PolarHBondContact O-N 2.98Å; Q486-A488 VanDerWaalsContact C-N 3.34Å; Q486-A488 PolarHBondContact O-N 3.4Å; A488-L492 VanDerWaalsContact O-CB 3.28Å; A488-L492 WeakPolarHBondContact O-CB 3.34Å; A488-L492 PolarHBondContact O-N 2.8Å; A488-L920 HydrophobicContact CB-CD1 4.44Å
489F92.4Very high87.5Confident1 Ų132.5 Ų32.50%0.00417%0.172CC..Hα-helixtrans-82.1-31.7-171.1-69.9-70.8000113.8I256 P485 L492 S493 A921 G1153 L1157I256-F489 HydrophobicContact CD1-CB 4.02Å; P485-F489 HydrophobicContact CB-CD2 4.49Å; P485-F489 VanDerWaalsContact O-CD2 3.24Å; P485-F489 WeakPolarHBondContact O-CD2 3.22Å; P485-F489 PolarHBondContact O-N 3.41Å; F489-L492 HydrophobicContact CD1-CD2 4.43Å; F489-S493 WeakPolarHBondContact O-CB 2.95Å; F489-S493 PolarHBondContact O-N 3.47Å; F489-S493 PolarHBondContact O-OG 2.67Å; F489-A921 HydrophobicContact CE2-CB 4.43Å; F489-A921 HydrophobicContact CZ-CB 3.86Å; F489-G1153 WeakPolarHBondContact CE2-O 3.21Å; F489-G1153 WeakPolarHBondContact CZ-O 3.48Å; F489-L1157 VanDerWaalsContact CE1-CA 3.45Å; F489-L1157 HydrophobicContact CE1-CB 3.74Å; F489-L1157 HydrophobicContact CE1-CD1 3.87Å; F489-L1157 HydrophobicContact CE1-CG 4.45Å; F489-L1157 HydrophobicContact CZ-CB 3.76Å; F489-L1157 HydrophobicContact CZ-CD1 4.36Å
490V91.2Very high87.6Confident0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-67.6-44.7172.4179.10000109.7P249 V367 Q486 L492 S493 L494P249-V490 HydrophobicContact CB-CG1 4.46Å; V367-V490 HydrophobicContact CG2-CG1 4.02Å; Q486-V490 HydrophobicContact CG-CG2 4.26Å; Q486-V490 WeakPolarHBondContact O-CB 3.36Å; Q486-V490 WeakPolarHBondContact O-CG2 3.28Å; Q486-V490 PolarHBondContact O-N 3.14Å; V490-L492 PolarHBondContact O-N 3.36Å; V490-S493 PolarHBondContact O-N 3.32Å; V490-L494 HydrophobicContact CG1-CD1 3.96Å; V490-L494 HydrophobicContact CG1-CG 4.42Å; V490-L494 WeakPolarHBondContact O-CG 3.18Å; V490-L494 PolarHBondContact O-N 3.14Å
491S91.5Very high87.7Confident0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-62-44.3175.1-61.90000111.9V367 V368 T487 S493 L494 M495V367-S491 VanDerWaalsContact CG1-OG 3.27Å; V367-S491 WeakPolarHBondContact CG1-OG 3.33Å; V368-S491 VanDerWaalsContact CG1-OG 3.31Å; V368-S491 WeakPolarHBondContact CG1-OG 3.49Å; T487-S491 WeakPolarHBondContact O-CB 3.41Å; T487-S491 PolarHBondContact O-N 3Å; T487-S491 VanDerWaalsContact O-N 3.14Å; T487-S491 PolarHBondContact O-OG 2.87Å; S491-S493 VanDerWaalsContact C-N 3.3Å; S491-S493 PolarHBondContact O-N 3.38Å; S491-L494 PolarHBondContact O-N 2.89Å; S491-M495 WeakPolarHBondContact O-CB 3.44Å; S491-M495 WeakPolarHBondContact O-CG 3.47Å; S491-M495 PolarHBondContact O-N 3.28Å
492L89.7Confident87.5Confident20 Ų2026.5 Ų26.511%0.10513%0.127CC..Hα-helixtrans-59.7-41.8176.7-174.664.5000111.7V467 A488 F489 V490 N496 L920V467-L492 HydrophobicContact CG2-CD1 3.94Å; A488-L492 VanDerWaalsContact O-CB 3.28Å; A488-L492 WeakPolarHBondContact O-CB 3.34Å; A488-L492 PolarHBondContact O-N 2.8Å; F489-L492 HydrophobicContact CD1-CD2 4.43Å; V490-L492 PolarHBondContact O-N 3.36Å; L492-N496 WeakPolarHBondContact O-CB 3.22Å; L492-N496 VanDerWaalsContact O-CG 3.25Å; L492-N496 PolarHBondContact O-N 3.18Å; L492-N496 PolarHBondContact O-ND2 3.01Å; L492-L920 HydrophobicContact CD2-CD2 4.29Å
493S89.1Confident87.1Confident9 Ų925.2 Ų25.26%0.06313%0.126CC..Hα-helixtrans-65.4-45.5176.7-65.50000112.5F489 V490 S491 N496 L497F489-S493 WeakPolarHBondContact O-CB 2.95Å; F489-S493 PolarHBondContact O-N 3.47Å; F489-S493 PolarHBondContact O-OG 2.67Å; V490-S493 PolarHBondContact O-N 3.32Å; S491-S493 VanDerWaalsContact C-N 3.3Å; S491-S493 PolarHBondContact O-N 3.38Å; S493-N496 WeakPolarHBondContact O-CB 3.26Å; S493-N496 PolarHBondContact O-N 2.96Å; S493-L497 WeakPolarHBondContact O-CG 3.41Å; S493-L497 PolarHBondContact O-N 2.84Å
494L91.3Very high87Confident0 Ų025.8 Ų25.80%013%0.13CC..Hα-helixtrans-65.9-38.4176.6-70.9169.3000112.3F246 P249 F363 L364 V367 V490 S491 N496 L497 L498F246-L494 HydrophobicContact CD1-CD2 4.11Å; F246-L494 HydrophobicContact CE1-CD2 4.27Å; P249-L494 HydrophobicContact CB-CD2 3.84Å; P249-L494 HydrophobicContact CB-CG 4.01Å; P249-L494 HydrophobicContact CG-CD2 3.97Å; P249-L494 HydrophobicContact CG-CG 4.44Å; F363-L494 HydrophobicContact CB-CD1 3.72Å; F363-L494 HydrophobicContact CB-CD2 3.77Å; F363-L494 HydrophobicContact CB-CG 4.41Å; F363-L494 HydrophobicContact CD2-CD2 4.45Å; F363-L494 HydrophobicContact CG-CD2 4.47Å; L364-L494 HydrophobicContact CD1-CB 4.39Å; L364-L494 HydrophobicContact CD2-CB 3.6Å; L364-L494 HydrophobicContact CD2-CD1 4.06Å; L364-L494 HydrophobicContact CG-CB 3.71Å; L364-L494 HydrophobicContact CG-CD1 4.16Å; V367-L494 HydrophobicContact CG2-CD1 4.38Å; V490-L494 HydrophobicContact CG1-CD1 3.96Å; V490-L494 HydrophobicContact CG1-CG 4.42Å; V490-L494 WeakPolarHBondContact O-CG 3.18Å; V490-L494 PolarHBondContact O-N 3.14Å; S491-L494 PolarHBondContact O-N 2.89Å; L494-N496 VanDerWaalsContact C-N 3.33Å; L494-L497 WeakPolarHBondContact O-CB 3.5Å; L494-L497 PolarHBondContact O-N 3.1Å; L494-L498 PolarHBondContact O-N 3.29Å
495M87.1Confident86.7Confident8 Ų826.9 Ų26.94%0.03914%0.135CC..Hα-helixtrans-63.8-39.5172.8-72.6177.9-162.600111.5L364 I466 V467 V470 S491 L497 L498 R499L364-M495 HydrophobicContact CD1-CG 4.09Å; L364-M495 HydrophobicContact CD2-CE 4.24Å; L364-M495 HydrophobicContact CD2-CG 4.02Å; I466-M495 HydrophobicContact CG2-SD 4.32Å; V467-M495 HydrophobicContact CG2-SD 3.7Å; V470-M495 HydrophobicContact CB-CE 3.62Å; V470-M495 HydrophobicContact CG1-CE 3.46Å; V470-M495 VanDerWaalsContact CG1-CE 3.46Å; V470-M495 HydrophobicContact CG2-CE 3.82Å; S491-M495 WeakPolarHBondContact O-CB 3.44Å; S491-M495 WeakPolarHBondContact O-CG 3.47Å; S491-M495 PolarHBondContact O-N 3.28Å; M495-L497 VanDerWaalsContact C-N 3.3Å; M495-L497 PolarHBondContact O-N 3.41Å; M495-L498 WeakPolarHBondContact O-CB 3.26Å; M495-L498 PolarHBondContact O-N 3.09Å; M495-L498 VanDerWaalsContact O-N 3.16Å; M495-R499 WeakPolarHBondContact O-CG 3.49Å; M495-R499 PolarHBondContact O-N 3.31Å
496N85Confident86.5Confident37 Ų3731 Ų3120%0.19816%0.161CC..Hα-helixtrans-61-39.6173.1-76.7-24.8000111.8L492 S493 L494 L498 R499L492-N496 WeakPolarHBondContact O-CB 3.22Å; L492-N496 VanDerWaalsContact O-CG 3.25Å; L492-N496 PolarHBondContact O-N 3.18Å; L492-N496 PolarHBondContact O-ND2 3.01Å; S493-N496 WeakPolarHBondContact O-CB 3.26Å; S493-N496 PolarHBondContact O-N 2.96Å; L494-N496 VanDerWaalsContact C-N 3.33Å; N496-L498 VanDerWaalsContact C-N 3.32Å; N496-L498 PolarHBondContact O-N 2.9Å; N496-R499 PolarHBondContact O-N 3.12Å; N496-R499 PolarHBondContact OD1-NE 3.21Å; N496-R499 PolarHBondContact OD1-NH1 2.69Å
497L87.7Confident86.2Confident28 Ų2832.5 Ų32.515%0.14717%0.17CC..Hα-helixtrans-65.2-32.1173.6-68.2-176.6000113Q245 F246 P249 S493 L494 M495 P501Q245-L497 HydrophobicContact CG-CD2 3.93Å; Q245-L497 VanDerWaalsContact NE2-CD2 3.32Å; F246-L497 HydrophobicContact CD1-CD1 3.94Å; F246-L497 HydrophobicContact CE1-CB 4.4Å; F246-L497 HydrophobicContact CE1-CD1 3.88Å; F246-L497 HydrophobicContact CG-CD1 4.46Å; F246-L497 HydrophobicContact CZ-CB 4.46Å; F246-L497 HydrophobicContact CZ-CD1 4.35Å; P249-L497 HydrophobicContact CG-CD1 3.66Å; S493-L497 WeakPolarHBondContact O-CG 3.41Å; S493-L497 PolarHBondContact O-N 2.84Å; L494-L497 WeakPolarHBondContact O-CB 3.5Å; L494-L497 PolarHBondContact O-N 3.1Å; M495-L497 VanDerWaalsContact C-N 3.3Å; M495-L497 PolarHBondContact O-N 3.41Å; L497-P501 WeakPolarHBondContact O-CD 3.32Å; L497-P501 WeakPolarHBondContact O-CG 3.27Å
498L85.6Confident86.1Confident15 Ų1532.1 Ų32.18%0.07917%0.167CC..Hα-helixtrans-69.9-30.2176.4-174.864.6000112.7V357 A360 L379 L494 M495 N496 P501 M502V357-L498 HydrophobicContact CB-CD1 4.28Å; V357-L498 HydrophobicContact CG1-CD1 4.02Å; V357-L498 HydrophobicContact CG2-CD1 4.12Å; A360-L498 HydrophobicContact CB-CB 4.15Å; A360-L498 HydrophobicContact CB-CD1 4.03Å; L379-L498 HydrophobicContact CD1-CD2 4.14Å; L494-L498 PolarHBondContact O-N 3.29Å; M495-L498 WeakPolarHBondContact O-CB 3.26Å; M495-L498 PolarHBondContact O-N 3.09Å; M495-L498 VanDerWaalsContact O-N 3.16Å; N496-L498 VanDerWaalsContact C-N 3.32Å; N496-L498 PolarHBondContact O-N 2.9Å; L498-P501 WeakPolarHBondContact O-CD 3.48Å; L498-P501 WeakPolarHBondContact O-CG 3.35Å; L498-M502 HydrophobicContact CD1-CG 4.3Å; L498-M502 HydrophobicContact CG-CG 4.33Å; L498-M502 WeakPolarHBondContact O-CB 3.44Å; L498-M502 VanDerWaalsContact O-CG 3.24Å; L498-M502 WeakPolarHBondContact O-CG 3.34Å; L498-M502 PolarHBondContact O-N 3.4Å
499R81.2Confident85.8Confident81 Ų8137.2 Ų37.231%0.30619%0.192SC..Hα-helixtrans-64.4-45.7-175.3-70.3168.8-166.7-177.20.1113.1P463 M495 N496 M502 S503P463-R499 VanDerWaalsContact CB-CZ 3.42Å; P463-R499 PolarHBondContact O-NH2 3.4Å; M495-R499 WeakPolarHBondContact O-CG 3.49Å; M495-R499 PolarHBondContact O-N 3.31Å; N496-R499 PolarHBondContact O-N 3.12Å; N496-R499 PolarHBondContact OD1-NE 3.21Å; N496-R499 PolarHBondContact OD1-NH1 2.69Å; R499-M502 PolarHBondContact O-N 3.06Å; R499-S503 WeakPolarHBondContact O-CB 3.4Å; R499-S503 PolarHBondContact O-N 3.46Å; R499-S503 PolarHBondContact O-OG 3.26Å
500F82.6Confident85.6Confident108 Ų10839.8 Ų39.847%0.47421%0.211SC..Hα-helixtrans-60.3-56.9-176.7177.4-108.2000113.6M349 M502 S503 V504M349-F500 HydrophobicContact CE-CD1 4.14Å; M349-F500 HydrophobicContact CE-CE1 3.23Å; M349-F500 HydrophobicContact CE-CE2 4.46Å; M349-F500 HydrophobicContact CE-CZ 3.43Å; M349-F500 VanDerWaalsContact CE-CZ 3.43Å; F500-M502 VanDerWaalsContact C-N 3.29Å; F500-M502 PolarHBondContact O-N 3.48Å; F500-S503 PolarHBondContact O-N 3.33Å; F500-S503 VanDerWaalsContact O-N 3.11Å; F500-S503 PolarHBondContact O-OG 2.91Å; F500-V504 HydrophobicContact CD2-CG2 4Å; F500-V504 HydrophobicContact CE2-CG2 3.68Å; F500-V504 HydrophobicContact CZ-CG2 4.03Å; F500-V504 WeakPolarHBondContact O-CG2 3.44Å; F500-V504 PolarHBondContact O-N 3.47Å
501P83.9Confident85.5Confident0 Ų042.3 Ų42.30%022%0.221CC..Hα-helixtrans-59.7-40.1178.621.7-30.6000111.7Q356 V357 L497 L498 S503 V504 I505Q356-P501 HydrophobicContact CB-CB 4.42Å; Q356-P501 HydrophobicContact CB-CG 4.21Å; V357-P501 HydrophobicContact CG2-CB 4.21Å; V357-P501 HydrophobicContact CG2-CG 4.22Å; L497-P501 WeakPolarHBondContact O-CD 3.32Å; L497-P501 WeakPolarHBondContact O-CG 3.27Å; L498-P501 WeakPolarHBondContact O-CD 3.48Å; L498-P501 WeakPolarHBondContact O-CG 3.35Å; P501-S503 VanDerWaalsContact C-N 3.31Å; P501-S503 PolarHBondContact O-N 3.2Å; P501-V504 PolarHBondContact O-N 3.06Å; P501-I505 WeakPolarHBondContact O-CB 3.44Å; P501-I505 WeakPolarHBondContact O-CD1 3.27Å; P501-I505 WeakPolarHBondContact O-CG1 3.45Å; P501-I505 PolarHBondContact O-N 2.95Å
502M79.2Confident85.5Confident58 Ų5845 Ų4529%0.28624%0.236SC..Hα-helixtrans-61.1-38.4176.6-72.2-59.3-50.100112.9V357 L379 L498 R499 F500 P506V357-M502 HydrophobicContact CG2-SD 4.14Å; L379-M502 HydrophobicContact CD1-CG 4.46Å; L379-M502 HydrophobicContact CD2-CE 3.51Å; L379-M502 HydrophobicContact CD2-CG 4.31Å; L379-M502 HydrophobicContact CD2-SD 4.16Å; L498-M502 HydrophobicContact CD1-CG 4.3Å; L498-M502 HydrophobicContact CG-CG 4.33Å; L498-M502 WeakPolarHBondContact O-CB 3.44Å; L498-M502 VanDerWaalsContact O-CG 3.24Å; L498-M502 WeakPolarHBondContact O-CG 3.34Å; L498-M502 PolarHBondContact O-N 3.4Å; R499-M502 PolarHBondContact O-N 3.06Å; F500-M502 VanDerWaalsContact C-N 3.29Å; F500-M502 PolarHBondContact O-N 3.48Å; M502-P506 WeakPolarHBondContact O-CD 3.48Å
503S77.1Confident85.5Confident61 Ų6148.3 Ų48.343%0.42726%0.257SS..Hα-helixtrans-72.3-30.217772.30000113.3R499 F500 P501R499-S503 WeakPolarHBondContact O-CB 3.4Å; R499-S503 PolarHBondContact O-N 3.46Å; R499-S503 PolarHBondContact O-OG 3.26Å; F500-S503 PolarHBondContact O-N 3.33Å; F500-S503 VanDerWaalsContact O-N 3.11Å; F500-S503 PolarHBondContact O-OG 2.91Å; P501-S503 VanDerWaalsContact C-N 3.31Å; P501-S503 PolarHBondContact O-N 3.2Å
504V83.3Confident85.7Confident14 Ų1450.9 Ų50.99%0.08527%0.268CS..Hα-helixtrans-95.3-27.7-173.2176.20000113.2M349 F500 P501 M507 L508M349-V504 HydrophobicContact CE-CB 3.66Å; M349-V504 HydrophobicContact CE-CG1 3.21Å; M349-V504 HydrophobicContact CE-CG2 4.02Å; M349-V504 HydrophobicContact SD-CG1 3.87Å; F500-V504 HydrophobicContact CD2-CG2 4Å; F500-V504 HydrophobicContact CE2-CG2 3.68Å; F500-V504 HydrophobicContact CZ-CG2 4.03Å; F500-V504 WeakPolarHBondContact O-CG2 3.44Å; F500-V504 PolarHBondContact O-N 3.47Å; P501-V504 PolarHBondContact O-N 3.06Å; V504-M507 HydrophobicContact CB-CE 4.44Å; V504-M507 HydrophobicContact CG1-CE 3.58Å; V504-M507 HydrophobicContact CG2-CE 4.35Å; V504-M507 WeakPolarHBondContact O-CA 3.47Å; V504-M507 WeakPolarHBondContact O-CB 3.49Å; V504-M507 PolarHBondContact O-N 3.07Å; V504-L508 HydrophobicContact CG1-CD1 3.8Å; V504-L508 HydrophobicContact CG1-CD2 4.08Å; V504-L508 HydrophobicContact CG1-CG 3.6Å; V504-L508 WeakPolarHBondContact O-CG 3.11Å; V504-L508 PolarHBondContact O-N 3.25Å
505I85Confident85.8Confident53 Ų5351.4 Ų51.427%0.27227%0.272SS..Hα-helixtrans-48.7-48.2178.1-78161000112.7V357 P501 M507 L508 M509V357-I505 HydrophobicContact CG2-CD1 4.31Å; P501-I505 WeakPolarHBondContact O-CB 3.44Å; P501-I505 WeakPolarHBondContact O-CD1 3.27Å; P501-I505 WeakPolarHBondContact O-CG1 3.45Å; P501-I505 PolarHBondContact O-N 2.95Å; I505-M507 VanDerWaalsContact C-N 3.32Å; I505-M507 PolarHBondContact O-N 2.98Å; I505-L508 PolarHBondContact O-N 3.32Å; I505-M509 HydrophobicContact CG2-CG 4.41Å; I505-M509 WeakPolarHBondContact O-CG 3.47Å; I505-M509 PolarHBondContact O-N 3.32Å
506P81.3Confident86.1Confident85 Ų8555 Ų5555%0.55229%0.291SS*.Hα-helixtrans-60.4-39.6177.6-24.234.8000113.3M502 S510M502-P506 WeakPolarHBondContact O-CD 3.48Å; P506-S510 PolarHBondContact O-N 3.05Å; P506-S510 VanDerWaalsContact O-N 3.09Å
507M85.7Confident86.5Confident92 Ų9256.7 Ų56.745%0.45330%0.303SS..Hα-helixtrans-64.8-43.9176.1-178.3-179.164.700111.3V504 I505 S510 F511V504-M507 HydrophobicContact CB-CE 4.44Å; V504-M507 HydrophobicContact CG1-CE 3.58Å; V504-M507 HydrophobicContact CG2-CE 4.35Å; V504-M507 WeakPolarHBondContact O-CA 3.47Å; V504-M507 WeakPolarHBondContact O-CB 3.49Å; V504-M507 PolarHBondContact O-N 3.07Å; I505-M507 VanDerWaalsContact C-N 3.32Å; I505-M507 PolarHBondContact O-N 2.98Å; M507-S510 WeakPolarHBondContact O-CB 3.41Å; M507-S510 PolarHBondContact O-N 3.29Å; M507-F511 HydrophobicContact CE-CE2 4.44Å; M507-F511 HydrophobicContact CG-CD2 4.01Å; M507-F511 HydrophobicContact CG-CE2 3.56Å; M507-F511 HydrophobicContact CG-CZ 4.41Å; M507-F511 VanDerWaalsContact O-CD2 3.31Å; M507-F511 WeakPolarHBondContact O-CD2 3.44Å; M507-F511 PolarHBondContact O-N 3.37Å; M507-F511 HydrophobicContact SD-CE2 3.97Å
508L87.7Confident86.9Confident4 Ų455.4 Ų55.42%0.02130%0.296CS..Hα-helixtrans-63.9-40.8177.9-66.5177.3000112.6Y346 M349 I350 V504 I505 S510 F511 L512Y346-L508 HydrophobicContact CD1-CD2 4.22Å; Y346-L508 HydrophobicContact CG-CD2 4.23Å; M349-L508 HydrophobicContact CB-CD1 4.28Å; M349-L508 HydrophobicContact CE-CD1 4.35Å; M349-L508 HydrophobicContact CG-CD1 3.84Å; M349-L508 HydrophobicContact SD-CD1 4.14Å; M349-L508 HydrophobicContact SD-CD2 4.28Å; I350-L508 HydrophobicContact CG1-CB 3.85Å; I350-L508 HydrophobicContact CG1-CD1 4.11Å; I350-L508 HydrophobicContact CG1-CD2 4.17Å; I350-L508 HydrophobicContact CG1-CG 4.26Å; V504-L508 HydrophobicContact CG1-CD1 3.8Å; V504-L508 HydrophobicContact CG1-CD2 4.08Å; V504-L508 HydrophobicContact CG1-CG 3.6Å; V504-L508 WeakPolarHBondContact O-CG 3.11Å; V504-L508 PolarHBondContact O-N 3.25Å; I505-L508 PolarHBondContact O-N 3.32Å; L508-S510 VanDerWaalsContact C-N 3.29Å; L508-S510 PolarHBondContact O-N 3.09Å; L508-F511 PolarHBondContact O-N 3.14Å; L508-L512 PolarHBondContact O-N 3.41Å
509M85.3Confident87.4Confident107 Ų10755 Ų5553%0.52729%0.294SS..Hα-helixtrans-62.5-39174.5-71.2-58.2-66.800111.5I505 L512 V513I505-M509 HydrophobicContact CG2-CG 4.41Å; I505-M509 WeakPolarHBondContact O-CG 3.47Å; I505-M509 PolarHBondContact O-N 3.32Å; M509-L512 PolarHBondContact O-N 2.87Å; M509-L512 HydrophobicContact SD-CD1 4.06Å; M509-V513 VanDerWaalsContact O-CG2 3.3Å; M509-V513 WeakPolarHBondContact O-CG2 3.49Å; M509-V513 PolarHBondContact O-N 3.44Å
510S86.4Confident88Confident56 Ų5654.2 Ų54.239%0.39230%0.296SS..Hα-helixtrans-60.5-46.3173.2-173.60000111.8P506 M507 L508 L512 V513 Q514P506-S510 PolarHBondContact O-N 3.05Å; P506-S510 VanDerWaalsContact O-N 3.09Å; M507-S510 WeakPolarHBondContact O-CB 3.41Å; M507-S510 PolarHBondContact O-N 3.29Å; L508-S510 VanDerWaalsContact C-N 3.29Å; L508-S510 PolarHBondContact O-N 3.09Å; S510-L512 PolarHBondContact O-N 3.44Å; S510-V513 PolarHBondContact O-N 2.92Å; S510-Q514 WeakPolarHBondContact O-CB 3.29Å; S510-Q514 VanDerWaalsContact O-CG 3.28Å; S510-Q514 WeakPolarHBondContact O-CG 3.5Å; S510-Q514 PolarHBondContact O-N 3.14Å; S510-Q514 PolarHBondContact OG-NE2 3.17Å; S510-Q514 VanDerWaalsContact OG-NE2 3.09Å
511F89.7Confident88.5Confident52 Ų5253.3 Ų53.323%0.22829%0.29CS..Hα-helixtrans-61-43.2176.8-75.8-54.3000112.7V343 M507 L508 Q514 A515V343-F511 HydrophobicContact CG2-CB 4.07Å; V343-F511 WeakPolarHBondContact CG2-O 3.48Å; M507-F511 HydrophobicContact CE-CE2 4.44Å; M507-F511 HydrophobicContact CG-CD2 4.01Å; M507-F511 HydrophobicContact CG-CE2 3.56Å; M507-F511 HydrophobicContact CG-CZ 4.41Å; M507-F511 VanDerWaalsContact O-CD2 3.31Å; M507-F511 WeakPolarHBondContact O-CD2 3.44Å; M507-F511 PolarHBondContact O-N 3.37Å; M507-F511 HydrophobicContact SD-CE2 3.97Å; L508-F511 PolarHBondContact O-N 3.14Å; F511-Q514 PolarHBondContact O-N 3.31Å; F511-A515 WeakPolarHBondContact O-CB 3.42Å; F511-A515 PolarHBondContact O-N 2.79Å
512L90.8Very high89.1Confident58 Ų5853.3 Ų53.330%0.30429%0.29SS..Hα-helixtrans-60.5-46.2175.5-80.2171.1000112.8V343 I350 L508 M509 S510 A515 N516V343-L512 HydrophobicContact CG1-CD2 4.18Å; I350-L512 HydrophobicContact CD1-CD1 3.88Å; I350-L512 HydrophobicContact CD1-CD2 3.73Å; I350-L512 HydrophobicContact CD1-CG 3.59Å; I350-L512 HydrophobicContact CG1-CD1 4.08Å; I350-L512 HydrophobicContact CG1-CG 4.31Å; I350-L512 HydrophobicContact CG2-CD1 3.74Å; L508-L512 PolarHBondContact O-N 3.41Å; M509-L512 PolarHBondContact O-N 2.87Å; M509-L512 HydrophobicContact SD-CD1 4.06Å; S510-L512 PolarHBondContact O-N 3.44Å; L512-A515 PolarHBondContact O-N 2.92Å; L512-N516 WeakPolarHBondContact O-CB 3.23Å; L512-N516 PolarHBondContact O-N 3.4Å
513V91.4Very high89.8Confident89 Ų8950.6 Ų50.654%0.53928%0.276SS..Hα-helixtrans-62.5-46.1178.21710000110M509 S510 A515 N516 V517M509-V513 VanDerWaalsContact O-CG2 3.3Å; M509-V513 WeakPolarHBondContact O-CG2 3.49Å; M509-V513 PolarHBondContact O-N 3.44Å; S510-V513 PolarHBondContact O-N 2.92Å; V513-A515 PolarHBondContact O-N 2.98Å; V513-N516 PolarHBondContact O-N 3.18Å; V513-V517 WeakPolarHBondContact O-CG2 3.37Å; V513-V517 PolarHBondContact O-N 3.11Å
514Q92Very high90.5Very high63 Ų6355.4 Ų55.429%0.29429%0.29SS..Hα-helixtrans-60.9-42.8177.2-72177.939.600112.2S510 F511 V517 S518S510-Q514 WeakPolarHBondContact O-CB 3.29Å; S510-Q514 VanDerWaalsContact O-CG 3.28Å; S510-Q514 WeakPolarHBondContact O-CG 3.5Å; S510-Q514 PolarHBondContact O-N 3.14Å; S510-Q514 PolarHBondContact OG-NE2 3.17Å; S510-Q514 VanDerWaalsContact OG-NE2 3.09Å; F511-Q514 PolarHBondContact O-N 3.31Å; Q514-V517 PolarHBondContact O-N 3.36Å; Q514-S518 VanDerWaalsContact O-CB 3.3Å; Q514-S518 WeakPolarHBondContact O-CB 3.45Å; Q514-S518 PolarHBondContact O-N 2.95Å; Q514-S518 PolarHBondContact O-OG 3.09Å
515A93.8Very high90.9Very high10 Ų1055.1 Ų55.18%0.08329%0.287CS..Hα-helixtrans-65.4-40.1177.200000112.3V343 F511 L512 V513 S518 C519V343-A515 HydrophobicContact CB-CB 3.99Å; V343-A515 HydrophobicContact CG1-CB 4.27Å; V343-A515 HydrophobicContact CG2-CB 3.42Å; V343-A515 VanDerWaalsContact CG2-CB 3.42Å; F511-A515 WeakPolarHBondContact O-CB 3.42Å; F511-A515 PolarHBondContact O-N 2.79Å; L512-A515 PolarHBondContact O-N 2.92Å; V513-A515 PolarHBondContact O-N 2.98Å; A515-S518 PolarHBondContact O-N 3.02Å; A515-C519 WeakPolarHBondContact O-CB 3.36Å; A515-C519 PolarHBondContact O-N 3.48Å; A515-C519 PolarHBondContact O-SG 3.06Å
516N93.9Very high91.3Very high83 Ų8352.8 Ų52.844%0.44428%0.275SS..Hα-helixtrans-66.1-42.8177-179.161.9000111.5L512 V513 C519 N520L512-N516 WeakPolarHBondContact O-CB 3.23Å; L512-N516 PolarHBondContact O-N 3.4Å; V513-N516 PolarHBondContact O-N 3.18Å; N516-C519 PolarHBondContact O-N 2.86Å; N516-N520 WeakPolarHBondContact O-CB 3.49Å; N516-N520 VanDerWaalsContact O-CG 3.25Å; N516-N520 PolarHBondContact O-N 3.28Å; N516-N520 PolarHBondContact O-ND2 3.39Å
517V93.9Very high91.9Very high74 Ų7450.5 Ų50.545%0.44826%0.258SS..Hα-helixtrans-62.1-44.6173.2173.40000110.7V513 Q514 N520 R521V513-V517 WeakPolarHBondContact O-CG2 3.37Å; V513-V517 PolarHBondContact O-N 3.11Å; Q514-V517 PolarHBondContact O-N 3.36Å; V517-N520 PolarHBondContact O-N 3.02Å; V517-R521 WeakPolarHBondContact O-CG 3.43Å; V517-R521 PolarHBondContact O-N 3.49Å
518S95.7Very high92Very high0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-62.3-45.6178.3-56.30000111.5D336 R339 Q514 A515 N520 R521 I522D336-S518 WeakPolarHBondContact OD1-CA 3.36Å; D336-S518 PolarHBondContact OD1-OG 2.85Å; R339-S518 WeakPolarHBondContact CD-OG 3.34Å; Q514-S518 VanDerWaalsContact O-CB 3.3Å; Q514-S518 WeakPolarHBondContact O-CB 3.45Å; Q514-S518 PolarHBondContact O-N 2.95Å; Q514-S518 PolarHBondContact O-OG 3.09Å; A515-S518 PolarHBondContact O-N 3.02Å; S518-N520 VanDerWaalsContact C-N 3.33Å; S518-N520 PolarHBondContact O-N 3.3Å; S518-R521 PolarHBondContact O-N 3.16Å; S518-I522 WeakPolarHBondContact O-CG1 3.34Å; S518-I522 PolarHBondContact O-N 2.7Å
519C95.2Very high91.8Very high7 Ų752.2 Ų52.25%0.04727%0.267CS..Hα-helixtrans-58.7-43.5173.6-76.10000111.8V220 V340 A515 N516 R521 I522 E523V220-C519 HydrophobicContact CG2-CB 3.61Å; V340-C519 WeakPolarHBondContact CG2-SG 3.37Å; A515-C519 WeakPolarHBondContact O-CB 3.36Å; A515-C519 PolarHBondContact O-N 3.48Å; A515-C519 PolarHBondContact O-SG 3.06Å; N516-C519 PolarHBondContact O-N 2.86Å; C519-R521 VanDerWaalsContact C-N 3.31Å; C519-R521 PolarHBondContact O-N 3.38Å; C519-I522 PolarHBondContact O-N 2.95Å; C519-E523 WeakPolarHBondContact O-CB 3.09Å; C519-E523 PolarHBondContact O-N 3.25Å
520N94.5Very high91.9Very high64 Ų6451.2 Ų51.234%0.34226%0.261SS..Hα-helixtrans-64.5-36178.4-75-39000112.3N516 V517 S518 K524N516-N520 WeakPolarHBondContact O-CB 3.49Å; N516-N520 VanDerWaalsContact O-CG 3.25Å; N516-N520 PolarHBondContact O-N 3.28Å; N516-N520 PolarHBondContact O-ND2 3.39Å; V517-N520 PolarHBondContact O-N 3.02Å; S518-N520 VanDerWaalsContact C-N 3.33Å; S518-N520 PolarHBondContact O-N 3.3Å; N520-K524 WeakPolarHBondContact O-CB 3.22Å; N520-K524 PolarHBondContact O-N 3.27Å
521R93.5Very high91.3Very high89 Ų8950.1 Ų50.134%0.33625%0.25SC..Hα-helixtrans-69.6-48.1176-7017772.5-148.71.8111.5L332 D336 V517 S518 C519 E523 K524 F525L332-R521 HydrophobicContact CD2-CB 3.9Å; D336-R521 IonicContact OD1-CZ 2.9Å; D336-R521 IonicContact OD1-NE 3.12Å; D336-R521 IonicContact OD1-NH1 2.76Å; D336-R521 PolarHBondContact OD1-NH1 3.27Å; D336-R521 IonicContact OD2-CZ 3.61Å; D336-R521 IonicContact OD2-NH1 2.84Å; D336-R521 PolarHBondContact OD2-NH1 3.44Å; D336-R521 IonicContact OD2-NH2 3.44Å; V517-R521 WeakPolarHBondContact O-CG 3.43Å; V517-R521 PolarHBondContact O-N 3.49Å; S518-R521 PolarHBondContact O-N 3.16Å; C519-R521 VanDerWaalsContact C-N 3.31Å; C519-R521 PolarHBondContact O-N 3.38Å; R521-E523 VanDerWaalsContact C-N 3.33Å; R521-E523 PolarHBondContact O-N 2.87Å; R521-K524 PolarHBondContact O-N 3.05Å; R521-F525 WeakPolarHBondContact O-CB 3.41Å; R521-F525 PolarHBondContact O-N 3.25Å
522I95.1Very high90.4Very high0 Ų053.1 Ų53.10%026%0.263CS..Hα-helixtrans-61.5-43.2175.3-62.2165.4000110.2L219 L305 V309 L332 D336 I337 V340 S518 C519 K524 F525 L526L219-I522 HydrophobicContact CD2-CB 3.84Å; L219-I522 HydrophobicContact CD2-CG2 3.59Å; L305-I522 HydrophobicContact CD1-CD1 4.35Å; L305-I522 HydrophobicContact CD2-CG2 4.36Å; V309-I522 HydrophobicContact CG2-CG2 4.17Å; L332-I522 HydrophobicContact CD2-CG1 4Å; D336-I522 HydrophobicContact CB-CD1 4.02Å; D336-I522 HydrophobicContact CB-CG1 4.1Å; I337-I522 HydrophobicContact CG1-CD1 3.86Å; V340-I522 HydrophobicContact CG2-CD1 4.13Å; S518-I522 WeakPolarHBondContact O-CG1 3.34Å; S518-I522 PolarHBondContact O-N 2.7Å; C519-I522 PolarHBondContact O-N 2.95Å; I522-K524 PolarHBondContact O-N 2.8Å; I522-F525 CarbonylContact O-C 3.55Å; I522-F525 WeakPolarHBondContact O-CB 3.29Å; I522-F525 PolarHBondContact O-N 3.45Å; I522-F525 VanDerWaalsContact O-N 3.16Å; I522-L526 HydrophobicContact CG2-CD1 3.8Å; I522-L526 HydrophobicContact CG2-CG 4.02Å; I522-L526 WeakPolarHBondContact O-CB 3.45Å; I522-L526 WeakPolarHBondContact O-CG 3.39Å; I522-L526 PolarHBondContact O-N 3.42Å
523E94.5Very high88.9Confident2 Ų256.1 Ų56.11%0.00929%0.286CS..Hα-helixtrans-60.6-46.6176.6-178.6-175.2124.700111.8K216 R218 L219 C519 R521 F525 L526 L527K216-E523 WeakPolarHBondContact CD-OE1 3.32Å; K216-E523 WeakPolarHBondContact CE-OE1 3.49Å; K216-E523 WeakPolarHBondContact CG-OE1 3.43Å; K216-E523 IonicContact NZ-OE1 3.12Å; K216-E523 PolarHBondContact NZ-OE1 3.46Å; R218-E523 VanDerWaalsContact CA-OE2 3.29Å; R218-E523 WeakPolarHBondContact CA-OE2 3.47Å; L219-E523 HydrophobicContact CB-CB 4.02Å; L219-E523 HydrophobicContact CB-CG 4.39Å; L219-E523 PolarHBondContact N-OE2 3.5Å; C519-E523 WeakPolarHBondContact O-CB 3.09Å; C519-E523 PolarHBondContact O-N 3.25Å; R521-E523 VanDerWaalsContact C-N 3.33Å; R521-E523 PolarHBondContact O-N 2.87Å; E523-F525 PolarHBondContact O-N 2.78Å; E523-L526 PolarHBondContact O-N 3.04Å; E523-L527 HydrophobicContact CG-CD1 3.87Å; E523-L527 VanDerWaalsContact O-CB 3.31Å; E523-L527 WeakPolarHBondContact O-CB 3.25Å; E523-L527 VanDerWaalsContact O-CG 3.26Å; E523-L527 WeakPolarHBondContact O-CG 3.38Å; E523-L527 PolarHBondContact O-N 3.37Å
524K91.7Very high87.5Confident162 Ų16257.4 Ų57.470%0.70429%0.289SS*.Hα-helixtrans-58.1-41.1174.9-175.9-173175.6-167.60110.8N520 R521 I522 S528N520-K524 WeakPolarHBondContact O-CB 3.22Å; N520-K524 PolarHBondContact O-N 3.27Å; R521-K524 PolarHBondContact O-N 3.05Å; I522-K524 PolarHBondContact O-N 2.8Å; K524-S528 PolarHBondContact O-N 3.4Å
525F92.9Very high86.4Confident7 Ų755 Ų553%0.03128%0.279CS..Hα-helixtrans-69.2-47.9179.1-177.4-98.2000112.9V309 K312 C313 L316 M329 L332 R521 I522 E523 L527 S528V309-F525 HydrophobicContact CB-CE1 4.43Å; V309-F525 HydrophobicContact CG1-CD1 4.31Å; V309-F525 HydrophobicContact CG1-CE1 3.81Å; V309-F525 HydrophobicContact CG2-CD1 4.34Å; K312-F525 HydrophobicContact CB-CE1 3.9Å; K312-F525 HydrophobicContact CG-CD1 4.16Å; K312-F525 HydrophobicContact CG-CE1 3.77Å; K312-F525 HydrophobicContact CG-CZ 4.38Å; C313-F525 VanDerWaalsContact SG-CZ 3.54Å; L316-F525 HydrophobicContact CD1-CE2 3.71Å; L316-F525 HydrophobicContact CD1-CZ 3.71Å; L316-F525 HydrophobicContact CD2-CE2 4.14Å; L316-F525 HydrophobicContact CD2-CZ 4.21Å; L316-F525 HydrophobicContact CG-CE2 4.42Å; L316-F525 HydrophobicContact CG-CZ 4.23Å; M329-F525 HydrophobicContact CE-CE2 4.29Å; M329-F525 HydrophobicContact CG-CE2 3.95Å; M329-F525 HydrophobicContact CG-CZ 4.36Å; M329-F525 HydrophobicContact SD-CE2 4.29Å; M329-F525 HydrophobicContact SD-CZ 4.42Å; L332-F525 HydrophobicContact CD1-CB 3.64Å; L332-F525 HydrophobicContact CD1-CD1 3.9Å; L332-F525 HydrophobicContact CD1-CD2 3.58Å; L332-F525 HydrophobicContact CD1-CE1 4.46Å; L332-F525 HydrophobicContact CD1-CE2 4.17Å; L332-F525 HydrophobicContact CD1-CG 3.41Å; L332-F525 VanDerWaalsContact CD1-CG 3.41Å; R521-F525 WeakPolarHBondContact O-CB 3.41Å; R521-F525 PolarHBondContact O-N 3.25Å; I522-F525 CarbonylContact O-C 3.55Å; I522-F525 WeakPolarHBondContact O-CB 3.29Å; I522-F525 PolarHBondContact O-N 3.45Å; I522-F525 VanDerWaalsContact O-N 3.16Å; E523-F525 PolarHBondContact O-N 2.78Å; F525-L527 PolarHBondContact O-N 3.33Å; F525-S528 WeakPolarHBondContact O-CB 3.47Å; F525-S528 PolarHBondContact O-N 3.05Å; F525-S528 PolarHBondContact O-OG 3.5Å
526L93.4Very high85.5Confident5 Ų555.5 Ų55.53%0.02628%0.281CS..Hα-helixtrans-65.6-26.3178.3-67.7179.5000112.7W170 W174 L219 A308 V309 K312 I522 E523W170-L526 HydrophobicContact CH2-CD1 4.24Å; W174-L526 HydrophobicContact CZ2-CB 3.8Å; W174-L526 HydrophobicContact CZ2-CD1 3.97Å; L219-L526 HydrophobicContact CD1-CD1 4.38Å; A308-L526 HydrophobicContact CB-CD2 4.11Å; V309-L526 HydrophobicContact CG2-CD2 4.25Å; K312-L526 HydrophobicContact CB-CD2 3.98Å; K312-L526 VanDerWaalsContact CE-O 3.26Å; K312-L526 WeakPolarHBondContact CE-O 3.49Å; K312-L526 HydrophobicContact CG-CD2 4.28Å; K312-L526 PolarHBondContact NZ-O 2.79Å; I522-L526 HydrophobicContact CG2-CD1 3.8Å; I522-L526 HydrophobicContact CG2-CG 4.02Å; I522-L526 WeakPolarHBondContact O-CB 3.45Å; I522-L526 WeakPolarHBondContact O-CG 3.39Å; I522-L526 PolarHBondContact O-N 3.42Å; E523-L526 PolarHBondContact O-N 3.04Å
527L92.1Very high84.8Confident36 Ų3654.1 Ų54.119%0.18827%0.273CS..THydrogen-bonded Turntrans-90.71.7175-66175.4000114.1W174 V178 Y181 K216 P217 E523 F525W174-L527 HydrophobicContact CZ2-CD2 4.39Å; V178-L527 HydrophobicContact CG1-CD2 4.42Å; V178-L527 HydrophobicContact CG2-CD2 4.02Å; Y181-L527 HydrophobicContact CD1-CD2 4.06Å; Y181-L527 HydrophobicContact CE1-CD1 4.47Å; Y181-L527 HydrophobicContact CE1-CD2 4.35Å; K216-L527 HydrophobicContact CB-CD1 3.83Å; K216-L527 HydrophobicContact CD-CD1 4.37Å; P217-L527 HydrophobicContact CG-CD1 4.31Å; P217-L527 HydrophobicContact CG-CD2 3.89Å; E523-L527 HydrophobicContact CG-CD1 3.87Å; E523-L527 VanDerWaalsContact O-CB 3.31Å; E523-L527 WeakPolarHBondContact O-CB 3.25Å; E523-L527 VanDerWaalsContact O-CG 3.26Å; E523-L527 WeakPolarHBondContact O-CG 3.38Å; E523-L527 PolarHBondContact O-N 3.37Å; F525-L527 PolarHBondContact O-N 3.33Å
528S88.8Confident84Confident24 Ų2456.8 Ų56.817%0.16828%0.275CS..SBendtrans-64.4160.1173.566.80000111.3K312 L316 K524 F525K312-S528 VanDerWaalsContact CE-O 3.28Å; K312-S528 WeakPolarHBondContact CE-O 3.33Å; K312-S528 WeakPolarHBondContact CE-OG 3.47Å; K312-S528 PolarHBondContact NZ-O 3.11Å; L316-S528 WeakPolarHBondContact CD2-OG 3.23Å; K524-S528 PolarHBondContact O-N 3.4Å; F525-S528 WeakPolarHBondContact O-CB 3.47Å; F525-S528 PolarHBondContact O-N 3.05Å; F525-S528 PolarHBondContact O-OG 3.5Å
529E83.9Confident82.7Confident108 Ų10860.9 Ų60.951%0.50530%0.3SS..PPolyproline II helixtrans-70.2138.4-175.5-62.5-173.6172.900111.2S317S317-E529 WeakPolarHBondContact CB-O 3.48Å; S317-E529 PolarHBondContact N-O 3.11Å; S317-E529 PolarHBondContact OG-O 3.18Å
530E86.2Confident81.3Confident86 Ų8667 Ų6740%0.40233%0.332SS..BIsolated β-bridgetrans-99.4157.2176.1-65.4179.8-170.700110.2K312 R315 K532K312-E530 HydrophobicContact CD-CG 4.2Å; K312-E530 WeakPolarHBondContact CD-OE1 3.44Å; K312-E530 WeakPolarHBondContact CE-OE1 3.41Å; K312-E530 IonicContact NZ-OE1 2.89Å; K312-E530 PolarHBondContact NZ-OE1 3.26Å; R315-E530 HydrophobicContact CB-CB 4.41Å; R315-E530 HydrophobicContact CB-CG 4.1Å; R315-E530 CarbonylContact O-C 3.6Å; R315-E530 WeakPolarHBondContact O-CA 3.44Å; R315-E530 WeakPolarHBondContact O-CB 3.42Å; E530-K532 PolarHBondContact O-N 2.73Å
531F75.3Confident80.1Confident34 Ų3471.6 Ų71.615%0.14936%0.356CS..PPolyproline II helixtrans-57.8136169.8-94.2-85.7000110.8R315 L316 S317 N318 L535 G596 E597R315-F531 PolarHBondContact O-N 2.85Å; L316-F531 VanDerWaalsContact C-CD2 3.49Å; L316-F531 WeakPolarHBondContact O-CD2 3.16Å; L316-F531 WeakPolarHBondContact O-CE2 3.25Å; S317-F531 VanDerWaalsContact CA-CD2 3.5Å; S317-F531 VanDerWaalsContact CA-CE2 3.45Å; N318-F531 HydrophobicContact CB-CZ 4.21Å; F531-L535 HydrophobicContact CD1-CD1 3.6Å; F531-L535 HydrophobicContact CE1-CD1 4.15Å; F531-G596 WeakPolarHBondContact CD1-O 3.34Å; F531-G596 WeakPolarHBondContact CE1-O 3.38Å; F531-E597 VanDerWaalsContact CE1-O 3.26Å; F531-E597 WeakPolarHBondContact CE1-O 3.23Å; F531-E597 WeakPolarHBondContact CZ-O 3.2Å
532K69.1Low79Confident115 Ų11568.7 Ų68.750%0.535%0.347SS..PPolyproline II helixtrans-75.3124173.7-64168-171.4148.20108.5E530 N534 L535 E599E530-K532 PolarHBondContact O-N 2.73Å; K532-N534 PolarHBondContact O-N 2.8Å; K532-L535 HydrophobicContact CB-CD1 4.23Å; K532-L535 HydrophobicContact CB-CG 4.25Å; K532-L535 WeakPolarHBondContact O-CD1 3.39Å; K532-L535 PolarHBondContact O-N 2.81Å; K532-E599 IonicContact NZ-OE2 2.82Å
533P60.4Low78.4Confident120 Ų12073 Ų7378%0.77938%0.382SS*.THydrogen-bonded Turntrans-61.4-18.5-178.121.5-31.6000113.9
534N62.3Low77.9Confident116 Ų11673.1 Ų73.162%0.6238%0.384SS*.THydrogen-bonded Turntrans-101.823.7-174.9-60.8-4.7000114.2K532 V536K532-N534 PolarHBondContact O-N 2.8Å; N534-V536 VanDerWaalsContact C-N 3.34Å
535L67.4Low77.7Confident13 Ų1365.6 Ų65.67%0.06835%0.352CS..SBendtrans-66.2-38.1175.9-84.3153.2000111.9F531 K532 K600F531-L535 HydrophobicContact CD1-CD1 3.6Å; F531-L535 HydrophobicContact CE1-CD1 4.15Å; K532-L535 HydrophobicContact CB-CD1 4.23Å; K532-L535 HydrophobicContact CB-CG 4.25Å; K532-L535 WeakPolarHBondContact O-CD1 3.39Å; K532-L535 PolarHBondContact O-N 2.81Å; L535-K600 HydrophobicContact CD2-CB 3.66Å; L535-K600 PolarHBondContact O-NZ 3.29Å
536V75.4Confident77.7Confident21 Ų2165.3 Ų65.313%0.12735%0.35CS..SBendtrans-119.9122.1-180-179.50000110.1N534 R538 V605 I607N534-V536 VanDerWaalsContact C-N 3.34Å; V536-R538 HydrophobicContact CG1-CG 4.47Å; V536-R538 PolarHBondContact O-N 2.67Å; V536-V605 WeakPolarHBondContact CA-O 3.48Å; V536-V605 HydrophobicContact CG1-CG1 4.12Å; V536-V605 HydrophobicContact CG2-CB 4.36Å; V536-V605 HydrophobicContact CG2-CG1 4.03Å; V536-I607 HydrophobicContact CG1-CB 4.01Å; V536-I607 HydrophobicContact CG1-CD1 3.86Å; V536-I607 HydrophobicContact CG1-CG1 3.69Å
537N79.6Confident77.6Confident53 Ų5369.9 Ų69.928%0.28337%0.37SS..BIsolated β-bridgetrans-76.4112.5175.1-77.9-16.7000109.7T539 E604 V605 S606 I607N537-T539 VanDerWaalsContact C-N 3.3Å; N537-T539 PolarHBondContact O-N 3.29Å; N537-E604 PolarHBondContact ND2-OE1 3.01Å; N537-V605 PolarHBondContact N-O 3.5Å; N537-S606 CarbonylContact O-C 3.59Å; N537-S606 WeakPolarHBondContact O-CA 3.11Å; N537-I607 PolarHBondContact O-N 3.38Å
538R76.6Confident77.5Confident131 Ų13168.3 Ų68.349%0.49436%0.362SS..  trans-95.138.2177.3-66.8-175.2174166.9-1.3112.7V536 I607V536-R538 HydrophobicContact CG1-CG 4.47Å; V536-R538 PolarHBondContact O-N 2.67Å; R538-I607 WeakPolarHBondContact CA-O 3.44Å
539T69.2Low77.6Confident85 Ų8571.6 Ų71.652%0.52137%0.374SS..  trans-77.7136-176.2-43.10000111.1N537 N541N537-T539 VanDerWaalsContact C-N 3.3Å; N537-T539 PolarHBondContact O-N 3.29Å; T539-N541 VanDerWaalsContact C-N 3.31Å; T539-N541 PolarHBondContact O-N 2.83Å
540L65.3Low77.8Confident137 Ų13772.1 Ų72.172%0.71738%0.375SS*.THydrogen-bonded Turntrans-70.4-20.9-177.1-73.8152.3000114.3Q542 K608L540-Q542 VanDerWaalsContact C-N 3.31Å; L540-Q542 PolarHBondContact O-N 2.78Å; L540-K608 WeakPolarHBondContact O-CE 3.39Å
541N68.2Low77.9Confident159 Ų15968 Ų6885%0.8536%0.356SS*.THydrogen-bonded Turntrans-84.420.9-167.6-75.5-0.3000116T539T539-N541 VanDerWaalsContact C-N 3.31Å; T539-N541 PolarHBondContact O-N 2.83Å
542Q72.2Confident78.7Confident29 Ų2968.5 Ų68.514%0.13636%0.36CS..  trans-103.3150.6177.162.1171.44.500113.6L540 A544 S606 I607 K608L540-Q542 VanDerWaalsContact C-N 3.31Å; L540-Q542 PolarHBondContact O-N 2.78Å; Q542-A544 WeakPolarHBondContact CG-O 3.02Å; Q542-A544 PolarHBondContact NE2-O 3.04Å; Q542-S606 VanDerWaalsContact NE2-C 3.28Å; Q542-S606 PolarHBondContact NE2-O 2.91Å; Q542-I607 VanDerWaalsContact NE2-C 3.28Å; Q542-K608 HydrophobicContact CG-CB 3.96Å; Q542-K608 HydrophobicContact CG-CD 4.32Å; Q542-K608 WeakPolarHBondContact O-CD 3.32Å; Q542-K608 PolarHBondContact O-NZ 2.99Å
543A81.1Confident79.7Confident89 Ų8963.1 Ų63.174%0.73634%0.336SS*.SBendtrans-77.3-42.8177.500000112.4P573A543-P573 WeakPolarHBondContact O-CD 3.38Å
544A85.5Confident81Confident6 Ų657.4 Ų57.45%0.0530%0.299CS..SBendtrans-77.6147.9178.600000111.9Q542 K547 S570Q542-A544 WeakPolarHBondContact CG-O 3.02Å; Q542-A544 PolarHBondContact NE2-O 3.04Å; A544-K547 HydrophobicContact CB-CB 4.26Å; A544-S570 WeakPolarHBondContact CB-OG 3.45Å
545A87.6Confident81.8Confident4 Ų454.3 Ų54.33%0.03328%0.279CS..SBendtrans-73.1-43.4174.400000111.2V571 P573 I607 K608 I691 T724A545-V571 PolarHBondContact N-O 2.62Å; A545-P573 HydrophobicContact CB-CG 4.33Å; A545-I607 WeakPolarHBondContact O-CA 3.45Å; A545-K608 PolarHBondContact O-N 3.49Å; A545-I691 HydrophobicContact CB-CD1 4.27Å; A545-I691 HydrophobicContact CB-CG1 4.34Å; A545-T724 HydrophobicContact CB-CG2 4.01Å; A545-T724 WeakPolarHBondContact CB-OG1 3.43Å
546V91.4Very high82.3Confident0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-129.6126.6173.3179.90000108.7S570 V571 I594 I691 I726V546-S570 CarbonylContact O-C 3.6Å; V546-S570 WeakPolarHBondContact O-CA 3.26Å; V546-V571 HydrophobicContact CB-CB 4.23Å; V546-V571 HydrophobicContact CB-CG2 4.45Å; V546-V571 PolarHBondContact N-O 3.48Å; V546-V571 PolarHBondContact O-N 2.83Å; V546-I594 HydrophobicContact CG1-CD1 4.15Å; V546-I594 HydrophobicContact CG1-CG1 4.13Å; V546-I594 HydrophobicContact CG1-CG2 3.92Å; V546-I691 HydrophobicContact CG2-CD1 3.95Å; V546-I691 HydrophobicContact CG2-CG2 4.13Å; V546-I726 HydrophobicContact CB-CD1 4.35Å; V546-I726 HydrophobicContact CG1-CD1 4.43Å; V546-I726 HydrophobicContact CG2-CD1 4.09Å
547K91.2Very high82.1Confident101 Ų10156.5 Ų56.544%0.43930%0.296SS..EExtended strand (participates in β ladder)trans-132.1124.2176.2-170.6177.1178.7-177.50110.4A544 L569 V605 S606A544-K547 HydrophobicContact CB-CB 4.26Å; K547-L569 CarbonylContact C-O 3.52Å; K547-L569 WeakPolarHBondContact CA-O 3.48Å; K547-V605 CarbonylContact O-C 3.51Å; K547-V605 WeakPolarHBondContact O-CA 3.35Å; K547-S606 PolarHBondContact N-O 2.89Å; K547-S606 PolarHBondContact O-N 2.95Å
548V91.3Very high81.5Confident4 Ų458.6 Ų58.62%0.02432%0.315CS..EExtended strand (participates in β ladder)trans-117.6123.7169.7-171.50000107.5F553 I567 N568 L569 I594 E604 V605V548-F553 HydrophobicContact CG1-CE2 3.84Å; V548-F553 HydrophobicContact CG1-CZ 3.85Å; V548-I567 HydrophobicContact CB-CG2 4.14Å; V548-I567 HydrophobicContact CG1-CB 4.1Å; V548-I567 HydrophobicContact CG1-CG2 3.77Å; V548-I567 WeakPolarHBondContact CG1-O 3.33Å; V548-N568 CarbonylContact O-C 3.6Å; V548-N568 WeakPolarHBondContact O-CA 3.3Å; V548-L569 HydrophobicContact CB-CB 4.01Å; V548-L569 HydrophobicContact CG2-CB 4.18Å; V548-L569 HydrophobicContact CG2-CD2 4.45Å; V548-L569 PolarHBondContact N-O 3.43Å; V548-L569 PolarHBondContact O-N 3.19Å; V548-L569 VanDerWaalsContact O-O 3.11Å; V548-I594 HydrophobicContact CG2-CG1 4.37Å; V548-E604 CarbonylContact C-O 3.59Å; V548-E604 VanDerWaalsContact CA-O 3.3Å; V548-E604 WeakPolarHBondContact CA-O 3.46Å; V548-V605 HydrophobicContact CG1-CG2 4.24Å; V548-V605 HydrophobicContact CG2-CG1 4.41Å; V548-V605 HydrophobicContact CG2-CG2 4.44Å
549H90Very high81.2Confident92 Ų9254.1 Ų54.143%0.42631%0.306SS..EExtended strand (participates in β ladder)trans-122.6119.7179.9-175.558.8000110.7G551 N568 G603 E604H549-G551 PolarHBondContact O-N 2.66Å; H549-G551 VanDerWaalsContact O-N 3.14Å; H549-N568 PolarHBondContact ND1-OD1 3.38Å; H549-G603 CarbonylContact O-C 3.5Å; H549-G603 WeakPolarHBondContact O-CA 3.4Å; H549-E604 PolarHBondContact N-O 3.3Å; H549-E604 PolarHBondContact O-N 2.98Å
550K88.9Confident81.2Confident120 Ų12059.5 Ų59.552%0.52233%0.326SS..EExtended strand (participates in β ladder)trans44.942.5-177.7-62.8-173.2172.2-175.80112.7N552 I567 N568 G603K550-N552 PolarHBondContact O-N 3.34Å; K550-I567 PolarHBondContact N-O 3.21Å; K550-N568 PolarHBondContact N-OD1 2.89Å; K550-G603 VanDerWaalsContact O-CA 3.31Å; K550-G603 WeakPolarHBondContact O-CA 3.31Å
551G88.5Confident81.7Confident0 Ų060.2 Ų60.20%033%0.325CS..EExtended strand (participates in β ladder)trans-76.4116.6-173.900000111H549 I567 S602H549-G551 PolarHBondContact O-N 2.66Å; H549-G551 VanDerWaalsContact O-N 3.14Å; G551-I567 PolarHBondContact N-O 3.44Å; G551-I567 WeakPolarHBondContact O-CB 3.28Å; G551-I567 PolarHBondContact O-N 3.44Å; G551-S602 WeakPolarHBondContact CA-O 3.26Å
552N90.6Very high82.5Confident43 Ų4354.3 Ų54.323%0.2330%0.295CS..EExtended strand (participates in β ladder)trans-107.4123168.5-69-36.9000108.4K550 P562 L564 E565 D566 L601 S602K550-N552 PolarHBondContact O-N 3.34Å; N552-P562 HydrophobicContact CB-CB 4.45Å; N552-L564 CarbonylContact C-O 3.51Å; N552-L564 WeakPolarHBondContact CA-O 3.48Å; N552-E565 WeakPolarHBondContact OD1-CA 3.41Å; N552-D566 PolarHBondContact OD1-N 3Å; N552-L601 HydrophobicContact CB-CB 4.15Å; N552-L601 WeakPolarHBondContact O-CB 3.47Å; N552-L601 PolarHBondContact O-N 3.33Å; N552-S602 WeakPolarHBondContact CB-OG 3.22Å; N552-S602 PolarHBondContact N-O 3.07Å; N552-S602 PolarHBondContact ND2-OG 3.5Å
553F90.4Very high83.2Confident2 Ų256 Ų561%0.00931%0.305CS..EExtended strand (participates in β ladder)trans-127.3144.7-175.4-51.9-87.7000112.2V548 I563 L564 I567 A593 M598 E599 K600 V605V548-F553 HydrophobicContact CG1-CE2 3.84Å; V548-F553 HydrophobicContact CG1-CZ 3.85Å; F553-I563 PolarHBondContact O-N 3.1Å; F553-L564 HydrophobicContact CB-CB 4.09Å; F553-L564 HydrophobicContact CB-CD1 4.19Å; F553-L564 HydrophobicContact CD2-CB 3.93Å; F553-L564 HydrophobicContact CD2-CD1 3.97Å; F553-L564 HydrophobicContact CG-CD1 4.39Å; F553-L564 PolarHBondContact N-O 3.1Å; F553-L564 PolarHBondContact O-N 3.3Å; F553-L564 VanDerWaalsContact O-N 3.08Å; F553-I567 HydrophobicContact CD2-CG1 4.44Å; F553-I567 HydrophobicContact CE2-CB 4.32Å; F553-I567 HydrophobicContact CE2-CG1 4.44Å; F553-A593 HydrophobicContact CB-CB 4.34Å; F553-A593 HydrophobicContact CD1-CB 3.73Å; F553-A593 HydrophobicContact CD2-CB 3.89Å; F553-A593 HydrophobicContact CE1-CB 3.95Å; F553-A593 HydrophobicContact CE2-CB 4.09Å; F553-A593 HydrophobicContact CG-CB 3.71Å; F553-A593 HydrophobicContact CZ-CB 4.14Å; F553-M598 HydrophobicContact CB-CB 4.11Å; F553-M598 HydrophobicContact CB-CE 3.98Å; F553-M598 HydrophobicContact CB-SD 4.19Å; F553-M598 HydrophobicContact CD1-CB 4.43Å; F553-E599 VanDerWaalsContact CA-O 3.32Å; F553-E599 WeakPolarHBondContact CA-O 3.42Å; F553-K600 HydrophobicContact CD1-CB 4.19Å; F553-K600 HydrophobicContact CD1-CG 4.39Å; F553-K600 HydrophobicContact CE1-CB 4.01Å; F553-K600 HydrophobicContact CE1-CD 4.37Å; F553-K600 HydrophobicContact CE1-CG 3.87Å; F553-V605 HydrophobicContact CE1-CG2 3.61Å; F553-V605 HydrophobicContact CZ-CG2 3.38Å
554A87.7Confident83.6Confident0 Ų051.8 Ų51.80%027%0.27CS..EExtended strand (participates in β ladder)trans-137154.8171.500000109.4S556 A559 E599 L601A554-S556 WeakPolarHBondContact CB-O 3.31Å; A554-S556 PolarHBondContact O-N 2.91Å; A554-A559 HydrophobicContact CB-CB 3.9Å; A554-E599 PolarHBondContact N-O 3.27Å; A554-E599 VanDerWaalsContact N-O 3.11Å; A554-E599 WeakPolarHBondContact O-CB 3.41Å; A554-E599 PolarHBondContact O-N 2.69Å; A554-L601 HydrophobicContact CB-CD1 4.02Å; A554-L601 HydrophobicContact CB-CG 4.36Å
555W80.3Confident83.8Confident51 Ų5153.7 Ų53.719%0.19328%0.278CS..SBendtrans-69.2-19.8168.3-70.1120.7000112.1N318 I563 S592 M598N318-W555 VanDerWaalsContact ND2-CE3 3.33Å; N318-W555 VanDerWaalsContact ND2-CZ3 3.26Å; N318-W555 WeakPolarHBondContact ND2-CZ3 3.39Å; W555-I563 HydrophobicContact CB-CD1 4.23Å; W555-I563 HydrophobicContact CG-CD1 3.9Å; W555-S592 WeakPolarHBondContact CH2-OG 3.22Å; W555-M598 HydrophobicContact CD2-CE 4.06Å; W555-M598 HydrophobicContact CD2-CG 4.2Å; W555-M598 HydrophobicContact CE3-CG 3.87Å; W555-M598 HydrophobicContact CG-CE 4.19Å; W555-M598 HydrophobicContact CH2-CG 4.06Å; W555-M598 HydrophobicContact CZ2-CG 4.35Å; W555-M598 HydrophobicContact CZ2-SD 4.34Å; W555-M598 HydrophobicContact CZ3-CG 3.8Å
556S77.7Confident83.9Confident15 Ų1557.7 Ų57.711%0.10530%0.299CS..  trans-128.9140.2179-173.60000112.3D319 A554 S558 A559D319-S556 VanDerWaalsContact CG-OG 3.23Å; D319-S556 WeakPolarHBondContact OD1-CA 3.32Å; D319-S556 WeakPolarHBondContact OD1-CB 3.43Å; D319-S556 PolarHBondContact OD1-OG 3.4Å; D319-S556 WeakPolarHBondContact OD2-CA 3.33Å; D319-S556 PolarHBondContact OD2-OG 3.35Å; A554-S556 WeakPolarHBondContact CB-O 3.31Å; A554-S556 PolarHBondContact O-N 2.91Å; S556-S558 PolarHBondContact O-N 3.45Å; S556-S558 PolarHBondContact OG-N 3.12Å; S556-S558 VanDerWaalsContact OG-N 3.09Å; S556-S558 PolarHBondContact OG-OG 3.34Å; S556-A559 PolarHBondContact O-N 3.07Å
557S70.5Confident84Confident65 Ų6557.7 Ų57.746%0.45530%0.299SS..THydrogen-bonded Turntrans-62.7-23167.857.40000113.2D319D319-S557 PolarHBondContact OD2-N 3.04Å; D319-S557 PolarHBondContact OD2-OG 2.98Å
558S67.9Low84Confident97 Ų9756.1 Ų56.168%0.67830%0.295SS*.THydrogen-bonded Turntrans-96.9-0.2-178.865.60000114.4S556 E560S556-S558 PolarHBondContact O-N 3.45Å; S556-S558 PolarHBondContact OG-N 3.12Å; S556-S558 VanDerWaalsContact OG-N 3.09Å; S556-S558 PolarHBondContact OG-OG 3.34Å; S558-E560 PolarHBondContact O-N 3.24Å
559A68.7Low84Confident37 Ų3756.3 Ų56.331%0.30630%0.296SS..  trans-65126.2177.700000110.1A554 S556 Q561A554-A559 HydrophobicContact CB-CB 3.9Å; S556-A559 PolarHBondContact O-N 3.07Å; A559-Q561 PolarHBondContact O-N 3.06Å
560E69.6Low84.1Confident199 Ų19954.3 Ų54.393%0.9329%0.292SS*.SBendtrans-64.5-31.5176.6-66.4-176.3174.200111.8S558S558-E560 PolarHBondContact O-N 3.24Å
561Q77.4Confident84.3Confident152 Ų15248.6 Ų48.671%0.7127%0.267SS*.SBendtrans-119.7134.8-179.5-67.5-176-15.400111.1A559A559-Q561 PolarHBondContact O-N 3.06Å
562P84.9Confident84.5Confident34 Ų3452.8 Ų52.822%0.22129%0.29CS..  trans-65.8143.5170.6-7.822.2000110.3N552 L564 E565 L601N552-P562 HydrophobicContact CB-CB 4.45Å; P562-L564 WeakPolarHBondContact CB-O 3.2Å; P562-E565 HydrophobicContact CB-CG 3.61Å; P562-E565 WeakPolarHBondContact CD-OE1 3.41Å; P562-E565 HydrophobicContact CG-CG 3.72Å; P562-L601 HydrophobicContact CB-CD1 4.18Å; P562-L601 HydrophobicContact CG-CD1 4.21Å
563I85.4Confident84.6Confident66 Ų6654.7 Ų54.734%0.33830%0.304SS..SBendtrans-83-30.2172.9-65.7173.8000110F553 W555 M598 G747F553-I563 PolarHBondContact O-N 3.1Å; W555-I563 HydrophobicContact CB-CD1 4.23Å; W555-I563 HydrophobicContact CG-CD1 3.9Å; I563-M598 HydrophobicContact CB-CE 4.22Å; I563-M598 HydrophobicContact CG2-CE 4.41Å; I563-G747 WeakPolarHBondContact O-CA 3.06Å
564L90Very high84.6Confident0 Ų055.8 Ų55.80%032%0.316CS..EExtended strand (participates in β ladder)trans-120.2125.6170.1-61.2175.8000108.8N552 F553 P562 I567 L590 A593 M598 G747N552-L564 CarbonylContact C-O 3.51Å; N552-L564 WeakPolarHBondContact CA-O 3.48Å; F553-L564 HydrophobicContact CB-CB 4.09Å; F553-L564 HydrophobicContact CB-CD1 4.19Å; F553-L564 HydrophobicContact CD2-CB 3.93Å; F553-L564 HydrophobicContact CD2-CD1 3.97Å; F553-L564 HydrophobicContact CG-CD1 4.39Å; F553-L564 PolarHBondContact N-O 3.1Å; F553-L564 PolarHBondContact O-N 3.3Å; F553-L564 VanDerWaalsContact O-N 3.08Å; P562-L564 WeakPolarHBondContact CB-O 3.2Å; L564-I567 HydrophobicContact CB-CD1 4.15Å; L564-I567 HydrophobicContact CB-CG1 3.77Å; L564-I567 HydrophobicContact CD2-CD1 4.4Å; L564-L590 HydrophobicContact CD1-CB 4.23Å; L564-L590 HydrophobicContact CD1-CD1 4.36Å; L564-A593 HydrophobicContact CD1-CB 4.01Å; L564-M598 HydrophobicContact CD1-SD 3.98Å; L564-G747 CarbonylContact C-O 3.59Å; L564-G747 VanDerWaalsContact CA-O 3.23Å; L564-G747 WeakPolarHBondContact CA-O 3.39Å
565E90.6Very high84.9Confident46 Ų4656.9 Ų56.922%0.21532%0.322CS..EExtended strand (participates in β ladder)trans-120.8133.9-173.8-68.8-175.1162.500111.2N552 P562 I567 G747 R748N552-E565 WeakPolarHBondContact OD1-CA 3.41Å; P562-E565 HydrophobicContact CB-CG 3.61Å; P562-E565 WeakPolarHBondContact CD-OE1 3.41Å; P562-E565 HydrophobicContact CG-CG 3.72Å; E565-I567 PolarHBondContact O-N 3.42Å; E565-I567 VanDerWaalsContact O-N 3.15Å; E565-G747 PolarHBondContact N-O 3.27Å; E565-R748 HydrophobicContact CB-CG 3.8Å; E565-R748 IonicContact OE2-CZ 2.95Å; E565-R748 IonicContact OE2-NE 3.89Å; E565-R748 PolarHBondContact OE2-NE 2.86Å; E565-R748 IonicContact OE2-NH2 2.99Å; E565-R748 PolarHBondContact OE2-NH2 2.81Å
566D89.7Confident85.6Confident88 Ų8854.5 Ų54.547%0.47131%0.312SS..EExtended strand (participates in β ladder)trans43.546.2178.1-163.922.4000114.2N552 N568N552-D566 PolarHBondContact OD1-N 3Å; D566-N568 PolarHBondContact O-N 3.01Å; D566-N568 VanDerWaalsContact O-N 3.16Å; D566-N568 PolarHBondContact O-ND2 2.76Å; D566-N568 VanDerWaalsContact O-ND2 3.08Å; D566-N568 PolarHBondContact OD1-ND2 3.39Å
567I92Very high86.4Confident0 Ų053.8 Ų53.80%031%0.308CS..EExtended strand (participates in β ladder)trans-69.7115.5179.6-58.3-59.5000109.3V548 K550 G551 F553 L564 E565 L569 L590 G747 I749V548-I567 HydrophobicContact CB-CG2 4.14Å; V548-I567 HydrophobicContact CG1-CB 4.1Å; V548-I567 HydrophobicContact CG1-CG2 3.77Å; V548-I567 WeakPolarHBondContact CG1-O 3.33Å; K550-I567 PolarHBondContact N-O 3.21Å; G551-I567 PolarHBondContact N-O 3.44Å; G551-I567 WeakPolarHBondContact O-CB 3.28Å; G551-I567 PolarHBondContact O-N 3.44Å; F553-I567 HydrophobicContact CD2-CG1 4.44Å; F553-I567 HydrophobicContact CE2-CB 4.32Å; F553-I567 HydrophobicContact CE2-CG1 4.44Å; L564-I567 HydrophobicContact CB-CD1 4.15Å; L564-I567 HydrophobicContact CB-CG1 3.77Å; L564-I567 HydrophobicContact CD2-CD1 4.4Å; E565-I567 PolarHBondContact O-N 3.42Å; E565-I567 VanDerWaalsContact O-N 3.15Å; I567-L569 HydrophobicContact CG2-CB 4.37Å; I567-L590 HydrophobicContact CG2-CD1 3.77Å; I567-G747 WeakPolarHBondContact CD1-O 3.21Å; I567-I749 HydrophobicContact CD1-CD1 4.49Å; I567-I749 HydrophobicContact CD1-CG1 4.09Å; I567-I749 HydrophobicContact CG2-CD1 3.89Å
568N92Very high87.6Confident68 Ų6850.7 Ų50.736%0.36429%0.286SS..EExtended strand (participates in β ladder)trans-117.5105.2171.1-68.5-74.3000108.5V548 H549 K550 D566 I749V548-N568 CarbonylContact O-C 3.6Å; V548-N568 WeakPolarHBondContact O-CA 3.3Å; H549-N568 PolarHBondContact ND1-OD1 3.38Å; K550-N568 PolarHBondContact N-OD1 2.89Å; D566-N568 PolarHBondContact O-N 3.01Å; D566-N568 VanDerWaalsContact O-N 3.16Å; D566-N568 PolarHBondContact O-ND2 2.76Å; D566-N568 VanDerWaalsContact O-ND2 3.08Å; D566-N568 PolarHBondContact OD1-ND2 3.39Å; N568-I749 WeakPolarHBondContact O-CD1 3.03Å
569L91.8Very high88.8Confident8 Ų846.1 Ų46.14%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-131.3133.3-176.417659.2000109.6K547 V548 I567 V571 L590 I594 I742 I749K547-L569 CarbonylContact C-O 3.52Å; K547-L569 WeakPolarHBondContact CA-O 3.48Å; V548-L569 HydrophobicContact CB-CB 4.01Å; V548-L569 HydrophobicContact CG2-CB 4.18Å; V548-L569 HydrophobicContact CG2-CD2 4.45Å; V548-L569 PolarHBondContact N-O 3.43Å; V548-L569 PolarHBondContact O-N 3.19Å; V548-L569 VanDerWaalsContact O-O 3.11Å; I567-L569 HydrophobicContact CG2-CB 4.37Å; L569-V571 HydrophobicContact CD1-CG2 3.82Å; L569-V571 HydrophobicContact CD2-CG2 4.38Å; L569-V571 HydrophobicContact CG-CG2 4.06Å; L569-L590 HydrophobicContact CD2-CD2 4.37Å; L569-I594 HydrophobicContact CD2-CD1 4.06Å; L569-I742 HydrophobicContact CD1-CD1 3.24Å; L569-I749 HydrophobicContact CB-CD1 4.3Å
570S92.1Very high89.8Confident49 Ų4944.5 Ų44.534%0.34324%0.24SC..EExtended strand (participates in β ladder)trans-139.7114.3170.8-176.50000108.6A544 V546 R740A544-S570 WeakPolarHBondContact CB-OG 3.45Å; V546-S570 CarbonylContact O-C 3.6Å; V546-S570 WeakPolarHBondContact O-CA 3.26Å; S570-R740 PolarHBondContact O-NH1 3.15Å; S570-R740 PolarHBondContact O-NH2 3.44Å
571V93.4Very high90.4Very high0 Ų035.3 Ų35.30%020%0.199CC..EExtended strand (participates in β ladder)trans-108.6127.3179.6-1770000109.3A545 V546 L569 E575 V577 T724 I726A545-V571 PolarHBondContact N-O 2.62Å; V546-V571 HydrophobicContact CB-CB 4.23Å; V546-V571 HydrophobicContact CB-CG2 4.45Å; V546-V571 PolarHBondContact N-O 3.48Å; V546-V571 PolarHBondContact O-N 2.83Å; L569-V571 HydrophobicContact CD1-CG2 3.82Å; L569-V571 HydrophobicContact CD2-CG2 4.38Å; L569-V571 HydrophobicContact CG-CG2 4.06Å; V571-E575 HydrophobicContact CG1-CB 4.2Å; V571-V577 HydrophobicContact CG1-CG2 3.75Å; V571-V577 HydrophobicContact CG2-CG2 4.22Å; V571-T724 HydrophobicContact CG1-CG2 3.51Å; V571-I726 HydrophobicContact CG2-CD1 4.05Å; V571-I726 HydrophobicContact CG2-CG1 4.46Å
572N92.7Very high90.5Very high89 Ų8932.9 Ų32.948%0.47619%0.187SC..  trans-79.7155.1-178.3-67.6-28.4000111.3G574 E575 T724N572-G574 PolarHBondContact O-N 3.47Å; N572-E575 HydrophobicContact CB-CB 4.38Å; N572-E575 PolarHBondContact N-OE2 2.89Å; N572-E575 WeakPolarHBondContact O-CB 3.36Å; N572-E575 PolarHBondContact O-N 3.3Å; N572-T724 PolarHBondContact O-OG1 3.41Å
573P91.5Very high90Very high82 Ų8237.4 Ų37.453%0.53221%0.214SC..THydrogen-bonded Turntrans-55.9131.7171.4-24.435.2000111.7A543 A545 E575 T724A543-P573 WeakPolarHBondContact O-CD 3.38Å; A545-P573 HydrophobicContact CB-CG 4.33Å; P573-E575 VanDerWaalsContact C-N 3.3Å; P573-E575 PolarHBondContact O-N 2.87Å; P573-T724 VanDerWaalsContact CA-OG1 3.29Å; P573-T724 WeakPolarHBondContact CA-OG1 3.41Å
574G90.6Very high89.5Confident26 Ų2638.1 Ų38.127%0.26824%0.238SC..THydrogen-bonded Turntrans83.1-9.117900000115.9N572 K723 T724 R725N572-G574 PolarHBondContact O-N 3.47Å; G574-K723 CarbonylContact C-O 3.54Å; G574-T724 PolarHBondContact N-OG1 2.94Å; G574-R725 PolarHBondContact O-NH2 3.04Å
575E93.4Very high89.2Confident23 Ų2338.5 Ų38.511%0.10724%0.241CC..  trans-73.7139.6-176.3-164.6-176.2177.200112.7V571 N572 P573 V577 R725 D739 R740V571-E575 HydrophobicContact CG1-CB 4.2Å; N572-E575 HydrophobicContact CB-CB 4.38Å; N572-E575 PolarHBondContact N-OE2 2.89Å; N572-E575 WeakPolarHBondContact O-CB 3.36Å; N572-E575 PolarHBondContact O-N 3.3Å; P573-E575 VanDerWaalsContact C-N 3.3Å; P573-E575 PolarHBondContact O-N 2.87Å; E575-V577 HydrophobicContact CB-CG2 4.32Å; E575-V577 VanDerWaalsContact CD-CG2 3.5Å; E575-V577 HydrophobicContact CG-CG2 3.69Å; E575-R725 PolarHBondContact O-N 3.06Å; E575-D739 HydrophobicContact CG-CB 4.12Å; E575-R740 IonicContact OE1-CZ 2.68Å; E575-R740 IonicContact OE1-NE 2.66Å; E575-R740 PolarHBondContact OE1-NE 2.68Å; E575-R740 IonicContact OE1-NH2 3.85Å; E575-R740 PolarHBondContact OE1-NH2 2.97Å; E575-R740 IonicContact OE2-CZ 2.78Å; E575-R740 IonicContact OE2-NH2 2.75Å; E575-R740 PolarHBondContact OE2-NH2 3.37Å
576L95.2Very high89Confident0 Ų036.6 Ų36.60%023%0.234CC..EExtended strand (participates in β ladder)trans-97.5110.8167.9176.958.8000109.9F710 I714 R725 F727 V738 D739 R740L576-F710 HydrophobicContact CD2-CZ 4.23Å; L576-I714 HydrophobicContact CD1-CG2 3.83Å; L576-R725 WeakPolarHBondContact CA-O 3.35Å; L576-R725 HydrophobicContact CD1-CB 3.54Å; L576-R725 HydrophobicContact CD1-CG 4.5Å; L576-F727 HydrophobicContact CD1-CB 4.28Å; L576-V738 HydrophobicContact CD2-CG2 4.18Å; L576-V738 HydrophobicContact CG-CB 4.45Å; L576-V738 HydrophobicContact CG-CG1 4.16Å; L576-V738 HydrophobicContact CG-CG2 4.25Å; L576-V738 WeakPolarHBondContact O-CG1 3.47Å; L576-D739 PolarHBondContact N-OD2 2.71Å; L576-D739 WeakPolarHBondContact O-CB 3.41Å; L576-D739 PolarHBondContact O-N 3.31Å; L576-R740 PolarHBondContact O-N 3.04Å
577V95.4Very high89Confident1 Ų133 Ų331%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-117.3124.9-176.2-179.20000110.5V571 E575 R725 I726 F727 R740 I742V571-V577 HydrophobicContact CG1-CG2 3.75Å; V571-V577 HydrophobicContact CG2-CG2 4.22Å; E575-V577 HydrophobicContact CB-CG2 4.32Å; E575-V577 VanDerWaalsContact CD-CG2 3.5Å; E575-V577 HydrophobicContact CG-CG2 3.69Å; V577-R725 PolarHBondContact N-O 3.19Å; V577-I726 CarbonylContact O-C 3.57Å; V577-I726 WeakPolarHBondContact O-CA 3.4Å; V577-F727 PolarHBondContact O-N 2.89Å; V577-R740 CarbonylContact C-O 2.98Å; V577-R740 VanDerWaalsContact CA-O 3.26Å; V577-R740 WeakPolarHBondContact CA-O 3.5Å; V577-R740 HydrophobicContact CG2-CB 4.5Å; V577-I742 HydrophobicContact CG1-CD1 3.35Å; V577-I742 HydrophobicContact CG1-CG1 3.8Å
578A94.1Very high88.9Confident0 Ų035.4 Ų35.40%023%0.228CC..EExtended strand (participates in β ladder)trans-94.3141.7174.200000112.1F727 L735 V738 R740 I741 I742A578-F727 CarbonylContact C-O 3.44Å; A578-F727 WeakPolarHBondContact CA-O 3.34Å; A578-L735 HydrophobicContact CB-CD2 3.62Å; A578-V738 HydrophobicContact CB-CB 4.33Å; A578-V738 HydrophobicContact CB-CG1 3.66Å; A578-V738 HydrophobicContact CB-CG2 4.08Å; A578-V738 VanDerWaalsContact N-CG1 3.3Å; A578-R740 PolarHBondContact N-O 3.44Å; A578-I741 HydrophobicContact CB-CG1 4.43Å; A578-I741 CarbonylContact O-C 3.52Å; A578-I741 WeakPolarHBondContact O-CA 3.49Å; A578-I742 PolarHBondContact O-N 3.16Å
579I93.6Very high88.9Confident0 Ų032.9 Ų32.90%022%0.216CC..EExtended strand (participates in β ladder)trans-116119.6173.3-63.2165.1000108.8K587 L590 L591 I726 F727 V728 T729 I742 I744I579-K587 HydrophobicContact CG2-CB 4.13Å; I579-K587 HydrophobicContact CG2-CG 4.12Å; I579-L590 HydrophobicContact CD1-CD2 3.84Å; I579-L591 HydrophobicContact CD1-CD2 4.1Å; I579-I726 HydrophobicContact CD1-CG2 3.31Å; I579-I726 HydrophobicContact CG1-CG2 4.11Å; I579-F727 PolarHBondContact N-O 2.99Å; I579-V728 HydrophobicContact CB-CG2 3.92Å; I579-V728 HydrophobicContact CD1-CG2 4.12Å; I579-V728 HydrophobicContact CG2-CG2 4.27Å; I579-V728 WeakPolarHBondContact O-CA 3.33Å; I579-T729 PolarHBondContact O-N 3.26Å; I579-I742 WeakPolarHBondContact CA-O 3.39Å; I579-I742 HydrophobicContact CG1-CB 4.37Å; I579-I744 HydrophobicContact CG2-CD1 3.44Å; I579-I744 VanDerWaalsContact CG2-CD1 3.44Å; I579-I744 HydrophobicContact CG2-CG1 3.99Å
580V89.9Confident88.9Confident4 Ų432.5 Ų32.52%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-127.6160-178.3-60.20000111.1T729 L735 I741 I742 V743 I744 F765V580-T729 HydrophobicContact CG1-CG2 4.47Å; V580-L735 HydrophobicContact CG1-CD1 3.86Å; V580-L735 HydrophobicContact CG1-CD2 3.56Å; V580-L735 HydrophobicContact CG1-CG 4.36Å; V580-I741 HydrophobicContact CG2-CG2 3.67Å; V580-I742 PolarHBondContact N-O 3.36Å; V580-V743 HydrophobicContact CG2-CB 4.41Å; V580-V743 HydrophobicContact CG2-CG2 3.85Å; V580-V743 WeakPolarHBondContact O-CA 3.29Å; V580-I744 PolarHBondContact O-N 2.88Å; V580-F765 HydrophobicContact CG2-CD2 4.1Å; V580-F765 HydrophobicContact CG2-CE2 4.15Å
581G83.3Confident89Confident6 Ų630.2 Ų30.26%0.06220%0.198CC..  trans159.5159.3-173.800000111.2K587 I744G581-K587 PolarHBondContact O-NZ 2.97Å; G581-I744 WeakPolarHBondContact CA-O 3.37Å
582Q78.1Confident88.9Confident100 Ų10030.7 Ų30.747%0.46720%0.201SC..SBendtrans-56.4160.6177.3-69.9179.9-16.600111.9G584 S585 K587Q582-G584 PolarHBondContact O-N 3.44Å; Q582-S585 WeakPolarHBondContact O-CB 3.41Å; Q582-S585 PolarHBondContact O-N 2.89Å; Q582-S585 VanDerWaalsContact O-N 3.1Å; Q582-S585 PolarHBondContact O-OG 2.77Å; Q582-K587 PolarHBondContact O-NZ 3.21Å; Q582-K587 VanDerWaalsContact O-NZ 3.15Å
583V75.4Confident88.8Confident129 Ų12926.6 Ų26.678%0.78218%0.18SC*.THydrogen-bonded Turntrans-57.7133.8171.3-178.40000108.6S585V583-S585 VanDerWaalsContact C-N 3.3Å; V583-S585 PolarHBondContact O-N 3.29Å
584G75.4Confident88.8Confident81 Ų8122.7 Ų22.784%0.83515%0.154SC*.THydrogen-bonded Turntrans78.9-0.9-176.200000116.3Q582 G586Q582-G584 PolarHBondContact O-N 3.44Å; G584-G586 PolarHBondContact O-N 3Å
585S83.8Confident88.7Confident9 Ų922.7 Ų22.76%0.06315%0.148CC..SBendtrans-64.9-17.9179.155.20000115.5Q582 V583 K587 I744 G747Q582-S585 WeakPolarHBondContact O-CB 3.41Å; Q582-S585 PolarHBondContact O-N 2.89Å; Q582-S585 VanDerWaalsContact O-N 3.1Å; Q582-S585 PolarHBondContact O-OG 2.77Å; V583-S585 VanDerWaalsContact C-N 3.3Å; V583-S585 PolarHBondContact O-N 3.29Å; S585-K587 WeakPolarHBondContact OG-CG 3.02Å; S585-I744 WeakPolarHBondContact CB-O 3.48Å; S585-I744 WeakPolarHBondContact O-CG2 3.35Å; S585-G747 WeakPolarHBondContact O-CA 3.32Å; S585-G747 PolarHBondContact O-N 3.04Å
586G85.6Confident88.4Confident6 Ų622 Ų226%0.06215%0.147CC..SBendtrans112.410.618000000116G584 S589 L590G584-G586 PolarHBondContact O-N 3Å; G586-S589 CarbonylContact O-C 3.51Å; G586-S589 WeakPolarHBondContact O-CA 3.45Å; G586-S589 VanDerWaalsContact O-CB 3.3Å; G586-S589 WeakPolarHBondContact O-CB 3.25Å; G586-S589 PolarHBondContact O-N 3.29Å; G586-S589 VanDerWaalsContact O-N 3.13Å; G586-L590 PolarHBondContact O-N 2.86Å
587K89Confident88Confident13 Ų1322.5 Ų22.56%0.05715%0.149CC..Hα-helixtrans-54-58.9-178.3-51.6-173.2-63.4-82.20114.2I579 G581 Q582 S585 S589 L590 L591 V728 H730I579-K587 HydrophobicContact CG2-CB 4.13Å; I579-K587 HydrophobicContact CG2-CG 4.12Å; G581-K587 PolarHBondContact O-NZ 2.97Å; Q582-K587 PolarHBondContact O-NZ 3.21Å; Q582-K587 VanDerWaalsContact O-NZ 3.15Å; S585-K587 WeakPolarHBondContact OG-CG 3.02Å; K587-S589 PolarHBondContact O-N 3Å; K587-L590 WeakPolarHBondContact O-CB 3.43Å; K587-L590 PolarHBondContact O-N 3.07Å; K587-L591 PolarHBondContact O-N 3.22Å; K587-V728 HydrophobicContact CB-CG1 3.77Å; K587-V728 HydrophobicContact CB-CG2 4.35Å; K587-V728 HydrophobicContact CD-CG1 4Å; K587-H730 WeakPolarHBondContact CE-NE2 3.15Å; K587-H730 PolarHBondContact NZ-CE1 3.06Å; K587-H730 PolarHBondContact NZ-NE2 2.81Å
588T90.5Very high87.6Confident49 Ų4922.5 Ų22.530%0.30115%0.149SC..Hα-helixtrans-62.7-31.1175.6-53.10000112.3L591 S592 D695T588-L591 PolarHBondContact O-N 3.28Å; T588-S592 WeakPolarHBondContact O-CB 3.36Å; T588-S592 PolarHBondContact O-N 2.84Å; T588-S592 PolarHBondContact O-OG 3.16Å; T588-D695 WeakPolarHBondContact CG2-OD2 3.38Å; T588-D695 PolarHBondContact OG1-OD1 3.1Å; T588-D695 PolarHBondContact OG1-OD2 2.99Å
589S91.1Very high87.1Confident16 Ų1623 Ų2311%0.11215%0.152CC..Hα-helixtrans-65.2-40.1174.3-62.40000110.6G586 K587 L591 S592 A593G586-S589 CarbonylContact O-C 3.51Å; G586-S589 WeakPolarHBondContact O-CA 3.45Å; G586-S589 VanDerWaalsContact O-CB 3.3Å; G586-S589 WeakPolarHBondContact O-CB 3.25Å; G586-S589 PolarHBondContact O-N 3.29Å; G586-S589 VanDerWaalsContact O-N 3.13Å; K587-S589 PolarHBondContact O-N 3Å; S589-L591 PolarHBondContact O-N 3.02Å; S589-S592 CarbonylContact O-C 3.42Å; S589-S592 WeakPolarHBondContact O-CB 3.26Å; S589-S592 PolarHBondContact O-N 3.45Å; S589-S592 VanDerWaalsContact O-N 3.16Å; S589-A593 PolarHBondContact O-N 2.95Å
590L93.3Very high86.7Confident0 Ų024.5 Ų24.50%016%0.158CC..Hα-helixtrans-61.9-43.6176.8179.660.2000112L564 I567 L569 I579 G586 K587 S592 A593 I594 I744L564-L590 HydrophobicContact CD1-CB 4.23Å; L564-L590 HydrophobicContact CD1-CD1 4.36Å; I567-L590 HydrophobicContact CG2-CD1 3.77Å; L569-L590 HydrophobicContact CD2-CD2 4.37Å; I579-L590 HydrophobicContact CD1-CD2 3.84Å; G586-L590 PolarHBondContact O-N 2.86Å; K587-L590 WeakPolarHBondContact O-CB 3.43Å; K587-L590 PolarHBondContact O-N 3.07Å; L590-S592 VanDerWaalsContact C-N 3.31Å; L590-S592 PolarHBondContact O-N 2.78Å; L590-A593 WeakPolarHBondContact O-CB 3.46Å; L590-A593 PolarHBondContact O-N 3.5Å; L590-I594 HydrophobicContact CG-CD1 4.31Å; L590-I594 WeakPolarHBondContact O-CG1 3.39Å; L590-I594 PolarHBondContact O-N 3.17Å; L590-I744 HydrophobicContact CB-CD1 4.07Å; L590-I744 HydrophobicContact CD2-CD1 3.55Å; L590-I744 HydrophobicContact CG-CD1 4.44Å
591L93.7Very high86.5Confident0 Ų028 Ų280%018%0.177CC..Hα-helixtrans-62.3-40.9174.1-63.9-172.2000111.8I579 K587 T588 S589 A593 I594 L595 Y613 L693 D695 I726 V728I579-L591 HydrophobicContact CD1-CD2 4.1Å; K587-L591 PolarHBondContact O-N 3.22Å; T588-L591 PolarHBondContact O-N 3.28Å; S589-L591 PolarHBondContact O-N 3.02Å; L591-A593 VanDerWaalsContact C-N 3.31Å; L591-A593 PolarHBondContact O-N 3.33Å; L591-I594 HydrophobicContact CD2-CD1 4.43Å; L591-I594 PolarHBondContact O-N 3.47Å; L591-L595 WeakPolarHBondContact O-CG 3.35Å; L591-L595 PolarHBondContact O-N 3.3Å; L591-Y613 HydrophobicContact CD1-CE2 4.42Å; L591-L693 HydrophobicContact CD2-CB 4.4Å; L591-L693 HydrophobicContact CD2-CD2 4.26Å; L591-D695 HydrophobicContact CD1-CB 3.56Å; L591-I726 HydrophobicContact CD2-CB 4.43Å; L591-I726 HydrophobicContact CD2-CG2 3.69Å; L591-V728 HydrophobicContact CD1-CB 4.43Å; L591-V728 HydrophobicContact CD1-CG2 3.53Å; L591-V728 HydrophobicContact CD2-CG2 4.28Å; L591-V728 HydrophobicContact CG-CG2 3.83Å
592S90.7Very high86.6Confident11 Ų1130.1 Ų30.18%0.07719%0.19CC..Hα-helixtrans-64.1-35.1175.7-59.80000112.3W555 T588 S589 L590 G596 E597 M598W555-S592 WeakPolarHBondContact CH2-OG 3.22Å; T588-S592 WeakPolarHBondContact O-CB 3.36Å; T588-S592 PolarHBondContact O-N 2.84Å; T588-S592 PolarHBondContact O-OG 3.16Å; S589-S592 CarbonylContact O-C 3.42Å; S589-S592 WeakPolarHBondContact O-CB 3.26Å; S589-S592 PolarHBondContact O-N 3.45Å; S589-S592 VanDerWaalsContact O-N 3.16Å; L590-S592 VanDerWaalsContact C-N 3.31Å; L590-S592 PolarHBondContact O-N 2.78Å; S592-G596 PolarHBondContact O-N 3.02Å; S592-E597 WeakPolarHBondContact O-CA 3.42Å; S592-E597 PolarHBondContact O-N 3.26Å; S592-M598 PolarHBondContact O-N 3.37Å
593A90.3Very high86.9Confident2 Ų227 Ų272%0.01719%0.185CC..Hα-helixtrans-67.6-41.2173.500000112F553 L564 S589 L590 L591 G596 M598F553-A593 HydrophobicContact CB-CB 4.34Å; F553-A593 HydrophobicContact CD1-CB 3.73Å; F553-A593 HydrophobicContact CD2-CB 3.89Å; F553-A593 HydrophobicContact CE1-CB 3.95Å; F553-A593 HydrophobicContact CE2-CB 4.09Å; F553-A593 HydrophobicContact CG-CB 3.71Å; F553-A593 HydrophobicContact CZ-CB 4.14Å; L564-A593 HydrophobicContact CD1-CB 4.01Å; S589-A593 PolarHBondContact O-N 2.95Å; L590-A593 WeakPolarHBondContact O-CB 3.46Å; L590-A593 PolarHBondContact O-N 3.5Å; L591-A593 VanDerWaalsContact C-N 3.31Å; L591-A593 PolarHBondContact O-N 3.33Å; A593-G596 PolarHBondContact O-N 2.87Å; A593-G596 VanDerWaalsContact O-N 3.11Å; A593-M598 HydrophobicContact CB-CB 4.2Å; A593-M598 HydrophobicContact CB-CG 4.36Å; A593-M598 HydrophobicContact CB-SD 4.02Å
594I91.5Very high87.5Confident0 Ų025.1 Ų25.10%017%0.168CC..Hα-helixtrans-62-46.8174.2-66.7165.9000110V546 V548 L569 L590 L591 G596 I607 L693 I726V546-I594 HydrophobicContact CG1-CD1 4.15Å; V546-I594 HydrophobicContact CG1-CG1 4.13Å; V546-I594 HydrophobicContact CG1-CG2 3.92Å; V548-I594 HydrophobicContact CG2-CG1 4.37Å; L569-I594 HydrophobicContact CD2-CD1 4.06Å; L590-I594 HydrophobicContact CG-CD1 4.31Å; L590-I594 WeakPolarHBondContact O-CG1 3.39Å; L590-I594 PolarHBondContact O-N 3.17Å; L591-I594 HydrophobicContact CD2-CD1 4.43Å; L591-I594 PolarHBondContact O-N 3.47Å; I594-G596 PolarHBondContact O-N 2.64Å; I594-G596 VanDerWaalsContact O-N 3.08Å; I594-I607 HydrophobicContact CG2-CD1 3.6Å; I594-I607 HydrophobicContact CG2-CG1 4.34Å; I594-I607 WeakPolarHBondContact O-CD1 3.32Å; I594-L693 HydrophobicContact CB-CD1 4.43Å; I594-L693 HydrophobicContact CG2-CD1 3.88Å; I594-L693 HydrophobicContact CG2-CD2 4.22Å; I594-I726 HydrophobicContact CD1-CD1 4.02Å
595L89.8Confident88.1Confident26 Ų2621.3 Ų21.314%0.13613%0.128CC..Hα-helixtrans-62.4-15.3175.7-74.1171.7000113.8L591 E597 V611 Y613 L693 A1091L591-L595 WeakPolarHBondContact O-CG 3.35Å; L591-L595 PolarHBondContact O-N 3.3Å; L595-E597 VanDerWaalsContact C-N 3.33Å; L595-E597 HydrophobicContact CB-CG 4.25Å; L595-V611 HydrophobicContact CD2-CG1 4.01Å; L595-Y613 HydrophobicContact CD1-CD1 3.75Å; L595-Y613 HydrophobicContact CD1-CD2 3.79Å; L595-Y613 HydrophobicContact CD1-CE1 3.95Å; L595-Y613 HydrophobicContact CD1-CE2 3.97Å; L595-Y613 HydrophobicContact CD1-CG 3.67Å; L595-L693 HydrophobicContact CD1-CD1 4.41Å; L595-L693 HydrophobicContact CD2-CD1 3.64Å; L595-L693 HydrophobicContact CG-CD1 3.66Å; L595-A1091 HydrophobicContact CD2-CB 3.87Å
596G87.1Confident88.4Confident8 Ų821.4 Ų21.48%0.08213%0.129CC..THydrogen-bonded Turntrans77.919.5-174.100000113.2F531 S592 A593 I594F531-G596 WeakPolarHBondContact CD1-O 3.34Å; F531-G596 WeakPolarHBondContact CE1-O 3.38Å; S592-G596 PolarHBondContact O-N 3.02Å; A593-G596 PolarHBondContact O-N 2.87Å; A593-G596 VanDerWaalsContact O-N 3.11Å; I594-G596 PolarHBondContact O-N 2.64Å; I594-G596 VanDerWaalsContact O-N 3.08Å
597E86.3Confident88.5Confident11 Ų1121.4 Ų21.45%0.05113%0.127CC..  trans-79-30172.1-68.1-68.5132.100110.9N318 R321 F531 S592 L595 A1087 R1090N318-E597 PolarHBondContact ND2-O 3.5Å; R321-E597 IonicContact CZ-OE2 2.73Å; R321-E597 IonicContact NH1-OE2 2.9Å; R321-E597 PolarHBondContact NH1-OE2 3.35Å; R321-E597 IonicContact NH2-OE2 2.79Å; R321-E597 PolarHBondContact NH2-OE2 3.06Å; F531-E597 VanDerWaalsContact CE1-O 3.26Å; F531-E597 WeakPolarHBondContact CE1-O 3.23Å; F531-E597 WeakPolarHBondContact CZ-O 3.2Å; S592-E597 WeakPolarHBondContact O-CA 3.42Å; S592-E597 PolarHBondContact O-N 3.26Å; L595-E597 VanDerWaalsContact C-N 3.33Å; L595-E597 HydrophobicContact CB-CG 4.25Å; E597-A1087 HydrophobicContact CG-CB 4.31Å; E597-R1090 VanDerWaalsContact OE1-CD 3.22Å; E597-R1090 WeakPolarHBondContact OE1-CD 3.35Å; E597-R1090 IonicContact OE1-CZ 3.84Å; E597-R1090 IonicContact OE1-NE 2.65Å; E597-R1090 IonicContact OE1-NH1 2.83Å; E597-R1090 PolarHBondContact OE1-NH1 2.73Å; E597-R1090 IonicContact OE2-NH1 2.81Å; E597-R1090 PolarHBondContact OE2-NH1 3.29Å
598M86.4Confident88.5Confident2 Ų224.5 Ų24.51%0.0114%0.141CC..SBendtrans-82.4151.1174.6-62.9-173.475.400113.1F553 W555 I563 L564 S592 A593 K600F553-M598 HydrophobicContact CB-CB 4.11Å; F553-M598 HydrophobicContact CB-CE 3.98Å; F553-M598 HydrophobicContact CB-SD 4.19Å; F553-M598 HydrophobicContact CD1-CB 4.43Å; W555-M598 HydrophobicContact CD2-CE 4.06Å; W555-M598 HydrophobicContact CD2-CG 4.2Å; W555-M598 HydrophobicContact CE3-CG 3.87Å; W555-M598 HydrophobicContact CG-CE 4.19Å; W555-M598 HydrophobicContact CH2-CG 4.06Å; W555-M598 HydrophobicContact CZ2-CG 4.35Å; W555-M598 HydrophobicContact CZ2-SD 4.34Å; W555-M598 HydrophobicContact CZ3-CG 3.8Å; I563-M598 HydrophobicContact CB-CE 4.22Å; I563-M598 HydrophobicContact CG2-CE 4.41Å; L564-M598 HydrophobicContact CD1-SD 3.98Å; S592-M598 PolarHBondContact O-N 3.37Å; A593-M598 HydrophobicContact CB-CB 4.2Å; A593-M598 HydrophobicContact CB-CG 4.36Å; A593-M598 HydrophobicContact CB-SD 4.02Å; M598-K600 PolarHBondContact O-N 3.11Å
599E84.3Confident88.4Confident11 Ų1124 Ų245%0.05115%0.146CC..EExtended strand (participates in β ladder)trans-70.9128.9170.7-72.1-67148.100109.7K532 F553 A554K532-E599 IonicContact NZ-OE2 2.82Å; F553-E599 VanDerWaalsContact CA-O 3.32Å; F553-E599 WeakPolarHBondContact CA-O 3.42Å; A554-E599 PolarHBondContact N-O 3.27Å; A554-E599 VanDerWaalsContact N-O 3.11Å; A554-E599 WeakPolarHBondContact O-CB 3.41Å; A554-E599 PolarHBondContact O-N 2.69Å
600K85.6Confident88.3Confident30 Ų3025.5 Ų25.513%0.1316%0.156CC..EExtended strand (participates in β ladder)trans-89.7105.8175.9-173.1176.571.9-172.90109.2L535 F553 M598 G603 V605L535-K600 HydrophobicContact CD2-CB 3.66Å; L535-K600 PolarHBondContact O-NZ 3.29Å; F553-K600 HydrophobicContact CD1-CB 4.19Å; F553-K600 HydrophobicContact CD1-CG 4.39Å; F553-K600 HydrophobicContact CE1-CB 4.01Å; F553-K600 HydrophobicContact CE1-CD 4.37Å; F553-K600 HydrophobicContact CE1-CG 3.87Å; M598-K600 PolarHBondContact O-N 3.11Å; K600-G603 WeakPolarHBondContact CD-O 3.22Å; K600-G603 WeakPolarHBondContact CE-O 3.39Å; K600-V605 HydrophobicContact CD-CG2 4.27Å
601L84.7Confident88.3Confident79 Ų7926 Ų2641%0.41416%0.159SC..EExtended strand (participates in β ladder)trans-74.4-41.6177.1-58.5178.7000110.9N552 A554 P562N552-L601 HydrophobicContact CB-CB 4.15Å; N552-L601 WeakPolarHBondContact O-CB 3.47Å; N552-L601 PolarHBondContact O-N 3.33Å; A554-L601 HydrophobicContact CB-CD1 4.02Å; A554-L601 HydrophobicContact CB-CG 4.36Å; P562-L601 HydrophobicContact CB-CD1 4.18Å; P562-L601 HydrophobicContact CG-CD1 4.21Å
602S85.6Confident88.3Confident49 Ų4926 Ų2634%0.34316%0.159SC..EExtended strand (participates in β ladder)trans-154.8168174.266.50000111.1G551 N552G551-S602 WeakPolarHBondContact CA-O 3.26Å; N552-S602 WeakPolarHBondContact CB-OG 3.22Å; N552-S602 PolarHBondContact N-O 3.07Å; N552-S602 PolarHBondContact ND2-OG 3.5Å
603G85.2Confident88.6Confident36 Ų3626.2 Ų26.237%0.37116%0.158SC..EExtended strand (participates in β ladder)trans91-173.2178.800000113.5H549 K550 K600H549-G603 CarbonylContact O-C 3.5Å; H549-G603 WeakPolarHBondContact O-CA 3.4Å; K550-G603 VanDerWaalsContact O-CA 3.31Å; K550-G603 WeakPolarHBondContact O-CA 3.31Å; K600-G603 WeakPolarHBondContact CD-O 3.22Å; K600-G603 WeakPolarHBondContact CE-O 3.39Å
604E87Confident88.8Confident89 Ų8926.1 Ų26.142%0.41616%0.158SC..EExtended strand (participates in β ladder)trans-129.3136.2-177.4-170.5175.4-174.500110.4N537 V548 H549 S606N537-E604 PolarHBondContact ND2-OE1 3.01Å; V548-E604 CarbonylContact C-O 3.59Å; V548-E604 VanDerWaalsContact CA-O 3.3Å; V548-E604 WeakPolarHBondContact CA-O 3.46Å; H549-E604 PolarHBondContact N-O 3.3Å; H549-E604 PolarHBondContact O-N 2.98Å; E604-S606 PolarHBondContact OE1-OG 3.39Å
605V88.7Confident88.9Confident1 Ų126.8 Ų26.81%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-119.6124.6171.2-176.80000106.9V536 N537 K547 V548 F553 K600V536-V605 WeakPolarHBondContact CA-O 3.48Å; V536-V605 HydrophobicContact CG1-CG1 4.12Å; V536-V605 HydrophobicContact CG2-CB 4.36Å; V536-V605 HydrophobicContact CG2-CG1 4.03Å; N537-V605 PolarHBondContact N-O 3.5Å; K547-V605 CarbonylContact O-C 3.51Å; K547-V605 WeakPolarHBondContact O-CA 3.35Å; V548-V605 HydrophobicContact CG1-CG2 4.24Å; V548-V605 HydrophobicContact CG2-CG1 4.41Å; V548-V605 HydrophobicContact CG2-CG2 4.44Å; F553-V605 HydrophobicContact CE1-CG2 3.61Å; F553-V605 HydrophobicContact CZ-CG2 3.38Å; K600-V605 HydrophobicContact CD-CG2 4.27Å
606S89.2Confident88.7Confident11 Ų1129.7 Ų29.78%0.07718%0.175CC..EExtended strand (participates in β ladder)trans-130.9132179.7-62.10000111N537 Q542 K547 E604N537-S606 CarbonylContact O-C 3.59Å; N537-S606 WeakPolarHBondContact O-CA 3.11Å; Q542-S606 VanDerWaalsContact NE2-C 3.28Å; Q542-S606 PolarHBondContact NE2-O 2.91Å; K547-S606 PolarHBondContact N-O 2.89Å; K547-S606 PolarHBondContact O-N 2.95Å; E604-S606 PolarHBondContact OE1-OG 3.39Å
607I89.6Confident88.7Confident5 Ų537.6 Ų37.63%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-125.3131.6-179.7-64.8-175000109.5V536 N537 R538 Q542 A545 I594 V611 I691V536-I607 HydrophobicContact CG1-CB 4.01Å; V536-I607 HydrophobicContact CG1-CD1 3.86Å; V536-I607 HydrophobicContact CG1-CG1 3.69Å; N537-I607 PolarHBondContact O-N 3.38Å; R538-I607 WeakPolarHBondContact CA-O 3.44Å; Q542-I607 VanDerWaalsContact NE2-C 3.28Å; A545-I607 WeakPolarHBondContact O-CA 3.45Å; I594-I607 HydrophobicContact CG2-CD1 3.6Å; I594-I607 HydrophobicContact CG2-CG1 4.34Å; I594-I607 WeakPolarHBondContact O-CD1 3.32Å; I607-V611 HydrophobicContact CD1-CG2 4.42Å; I607-V611 HydrophobicContact CG2-CG2 3.75Å; I607-I691 HydrophobicContact CG2-CD1 3.55Å
608K88.1Confident88.8Confident79 Ų7938.1 Ų38.134%0.34322%0.216SC..  trans-112.3108176.7-178.7-176.2-175.1177.40110.3L540 Q542 A545 I691L540-K608 WeakPolarHBondContact O-CE 3.39Å; Q542-K608 HydrophobicContact CG-CB 3.96Å; Q542-K608 HydrophobicContact CG-CD 4.32Å; Q542-K608 WeakPolarHBondContact O-CD 3.32Å; Q542-K608 PolarHBondContact O-NZ 2.99Å; A545-K608 PolarHBondContact O-N 3.49Å; K608-I691 WeakPolarHBondContact O-CD1 3.32Å
609G87.8Confident89.1Confident39 Ų3938.6 Ų38.640%0.40222%0.217SC..SBendtrans110.7-175.5176.300000113.9D690G609-D690 WeakPolarHBondContact CA-OD2 3.32Å
610S90.3Very high89.3Confident46 Ų4638.5 Ų38.532%0.32222%0.217SC..  trans-78.4146.5176.957.20000111.6T689 D690 I691S610-T689 VanDerWaalsContact OG-CA 3.31Å; S610-T689 WeakPolarHBondContact OG-CA 3.41Å; S610-T689 WeakPolarHBondContact OG-CB 3.34Å; S610-D690 PolarHBondContact N-OD2 2.9Å; S610-D690 PolarHBondContact O-N 3Å; S610-D690 VanDerWaalsContact O-N 3.16Å; S610-D690 PolarHBondContact OG-N 2.91Å; S610-D690 VanDerWaalsContact OG-N 3.08Å; S610-D690 PolarHBondContact OG-OD2 3.25Å; S610-I691 PolarHBondContact O-N 3.01Å
611V92.7Very high89.5Confident10 Ų1037.4 Ų37.46%0.06121%0.212CC..EExtended strand (participates in β ladder)trans-119.9131.7-176-177.20000110.1L595 I607 I691 L693L595-V611 HydrophobicContact CD2-CG1 4.01Å; I607-V611 HydrophobicContact CD1-CG2 4.42Å; I607-V611 HydrophobicContact CG2-CG2 3.75Å; V611-I691 CarbonylContact C-O 3.51Å; V611-I691 WeakPolarHBondContact CA-O 3.45Å; V611-I691 HydrophobicContact CG2-CB 4.3Å; V611-I691 HydrophobicContact CG2-CD1 4.49Å; V611-L693 HydrophobicContact CG1-CD1 3.78Å; V611-L693 HydrophobicContact CG1-CG 3.91Å
612A94.4Very high89.4Confident0 Ų036.9 Ų36.90%021%0.21CC..EExtended strand (participates in β ladder)trans-107136.516300000108.9A684 T689 I691 Y692 L693 Y1092A612-A684 HydrophobicContact CB-CB 3.93Å; A612-T689 HydrophobicContact CB-CG2 3.82Å; A612-T689 WeakPolarHBondContact CB-OG1 3.28Å; A612-T689 PolarHBondContact N-OG1 3.41Å; A612-I691 PolarHBondContact N-O 3.31Å; A612-Y692 HydrophobicContact CB-CD1 3.98Å; A612-Y692 HydrophobicContact CB-CE1 3.94Å; A612-L693 PolarHBondContact O-N 3.16Å; A612-Y1092 HydrophobicContact CB-CE1 4.13Å
613Y95.6Very high89.4Confident17 Ų1736.9 Ų36.97%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-118.3126.5177.9178.5-130.7000110.2L591 L595 P615 L693 D695 A1087 V1088L591-Y613 HydrophobicContact CD1-CE2 4.42Å; L595-Y613 HydrophobicContact CD1-CD1 3.75Å; L595-Y613 HydrophobicContact CD1-CD2 3.79Å; L595-Y613 HydrophobicContact CD1-CE1 3.95Å; L595-Y613 HydrophobicContact CD1-CE2 3.97Å; L595-Y613 HydrophobicContact CD1-CG 3.67Å; Y613-P615 HydrophobicContact CD1-CB 4.47Å; Y613-P615 HydrophobicContact CE1-CB 3.74Å; Y613-P615 HydrophobicContact CE1-CG 4.37Å; Y613-L693 WeakPolarHBondContact CA-O 3.23Å; Y613-L693 HydrophobicContact CD2-CB 3.91Å; Y613-L693 WeakPolarHBondContact CD2-O 3.49Å; Y613-D695 HydrophobicContact CE2-CB 4.06Å; Y613-A1087 HydrophobicContact CE1-CB 4.4Å; Y613-V1088 HydrophobicContact CD1-CG2 4.04Å
614V95.7Very high89.6Confident0 Ų036.2 Ų36.20%019%0.194CC..EExtended strand (participates in β ladder)trans-112.5101.1171.9-177.40000107.1L681 A684 L693 L694 D695 P697V614-L681 HydrophobicContact CG2-CD1 4.2Å; V614-A684 HydrophobicContact CG2-CB 3.49Å; V614-A684 VanDerWaalsContact CG2-CB 3.49Å; V614-L693 PolarHBondContact N-O 2.83Å; V614-L694 HydrophobicContact CB-CD2 3.75Å; V614-L694 HydrophobicContact CG2-CD2 3.54Å; V614-D695 WeakPolarHBondContact O-CB 3.26Å; V614-D695 PolarHBondContact O-N 2.91Å; V614-P697 HydrophobicContact CG1-CB 3.87Å
615P92.9Very high89.7Confident14 Ų1432 Ų329%0.09117%0.174CC..  trans-71.3158.6179.428.4-34.6000112.3Y613 Q617 Q677 D695 V1088Y613-P615 HydrophobicContact CD1-CB 4.47Å; Y613-P615 HydrophobicContact CE1-CB 3.74Å; Y613-P615 HydrophobicContact CE1-CG 4.37Å; P615-Q617 VanDerWaalsContact C-N 3.29Å; P615-Q617 VanDerWaalsContact CG-O 3.26Å; P615-Q617 WeakPolarHBondContact CG-O 3.49Å; P615-Q617 PolarHBondContact O-N 3.26Å; P615-Q677 PolarHBondContact O-NE2 3.25Å; P615-D695 CarbonylContact C-O 3.51Å; P615-V1088 HydrophobicContact CG-CG2 4.07Å
616Q86.6Confident89.9Confident86 Ų8634 Ų3440%0.40218%0.183SC..SBendtrans-58.9-40.7173.9-173.3-179.420.500111.9Q677 D695 D696Q616-Q677 PolarHBondContact O-OE1 3.39Å; Q616-D695 WeakPolarHBondContact CA-O 3.3Å; Q616-D695 WeakPolarHBondContact CB-O 3.04Å; Q616-D695 PolarHBondContact N-O 2.84Å; Q616-D695 VanDerWaalsContact N-O 3.12Å; Q616-D696 HydrophobicContact CG-CB 4.32Å
617Q85.1Confident90.1Very high175 Ų17537 Ų3782%0.81820%0.198SC*.SBendtrans-96103167.3-67.6-175.5-5.400109.5P615 W619P615-Q617 VanDerWaalsContact C-N 3.29Å; P615-Q617 VanDerWaalsContact CG-O 3.26Å; P615-Q617 WeakPolarHBondContact CG-O 3.49Å; P615-Q617 PolarHBondContact O-N 3.26Å; Q617-W619 PolarHBondContact O-N 3.02Å
618A89.2Confident90.2Very high22 Ų2236.8 Ų36.818%0.18220%0.197CC..  trans-52.6123.3177.700000113.1I620 R676A618-I620 HydrophobicContact CB-CG1 4.48Å; A618-R676 HydrophobicContact CB-CB 3.99Å; A618-R676 WeakPolarHBondContact CB-O 3.29Å
619W92.4Very high90.5Very high12 Ų1233 Ų335%0.04518%0.181CC..  trans-90.8116.2170.9174.568.2000110.6Q617 Q621 F631 R683 E1081 G1085 V1088 I1089 F1098Q617-W619 PolarHBondContact O-N 3.02Å; W619-Q621 HydrophobicContact CH2-CG 3.78Å; W619-Q621 HydrophobicContact CZ2-CG 3.79Å; W619-Q621 HydrophobicContact CZ3-CG 4.3Å; W619-F631 AromaticContact CH2-CE2 3.93Å; W619-F631 HydrophobicContact CH2-CE2 3.93Å; W619-F631 HydrophobicContact CH2-CZ 4.36Å; W619-F631 AromaticContact CZ3-CE2 3.79Å; W619-F631 HydrophobicContact CZ3-CE2 3.79Å; W619-F631 HydrophobicContact CZ3-CZ 4.14Å; W619-R683 PolarHBondContact O-NH1 3.18Å; W619-R683 PolarHBondContact O-NH2 3.4Å; W619-E1081 HydrophobicContact CZ2-CG 4.15Å; W619-E1081 PolarHBondContact NE1-O 3.06Å; W619-G1085 VanDerWaalsContact CE2-CA 3.42Å; W619-V1088 HydrophobicContact CB-CG2 4.29Å; W619-V1088 HydrophobicContact CE3-CB 3.72Å; W619-V1088 HydrophobicContact CE3-CG1 3.69Å; W619-V1088 HydrophobicContact CE3-CG2 4.2Å; W619-V1088 HydrophobicContact CZ3-CB 4.13Å; W619-V1088 HydrophobicContact CZ3-CG1 3.94Å; W619-I1089 HydrophobicContact CH2-CD1 3.84Å; W619-I1089 HydrophobicContact CH2-CG1 3.56Å; W619-I1089 HydrophobicContact CZ2-CD1 4.01Å; W619-I1089 HydrophobicContact CZ2-CG1 4.21Å; W619-I1089 HydrophobicContact CZ3-CG1 4.01Å; W619-F1098 HydrophobicContact CH2-CE1 4.15Å; W619-F1098 AromaticContact CH2-CZ 3.81Å; W619-F1098 HydrophobicContact CH2-CZ 3.81Å; W619-F1098 HydrophobicContact CZ2-CE1 4.39Å; W619-F1098 HydrophobicContact CZ2-CZ 4.47Å
620I89.9Confident90.8Very high8 Ų832 Ų324%0.04117%0.166CC..  trans-121.8136.4-178.4-56.9-62.5000109.4A618 N628 I664 R676 I679A618-I620 HydrophobicContact CB-CG1 4.48Å; I620-N628 WeakPolarHBondContact CG2-OD1 3.43Å; I620-I664 HydrophobicContact CG2-CB 4.42Å; I620-I664 HydrophobicContact CG2-CD1 3.57Å; I620-I664 HydrophobicContact CG2-CG2 3.81Å; I620-R676 HydrophobicContact CG1-CB 4.18Å; I620-R676 HydrophobicContact CG1-CG 4.34Å; I620-I679 HydrophobicContact CD1-CB 4.01Å; I620-I679 HydrophobicContact CD1-CG2 3.76Å
621Q88.1Confident90.9Very high7 Ų730.3 Ų30.33%0.03315%0.153CC..  trans-85.4150.2-179.6-58.4-158.4-103.400111.5W619 M623 N628 E1081W619-Q621 HydrophobicContact CH2-CG 3.78Å; W619-Q621 HydrophobicContact CZ2-CG 3.79Å; W619-Q621 HydrophobicContact CZ3-CG 4.3Å; Q621-M623 VanDerWaalsContact C-N 3.26Å; Q621-M623 HydrophobicContact CB-CE 3.74Å; Q621-M623 HydrophobicContact CB-CG 3.9Å; Q621-M623 HydrophobicContact CB-SD 3.99Å; Q621-M623 HydrophobicContact CG-CE 4.29Å; Q621-M623 PolarHBondContact O-N 3.26Å; Q621-N628 WeakPolarHBondContact CB-OD1 3.41Å; Q621-N628 PolarHBondContact N-OD1 3.04Å; Q621-N628 PolarHBondContact O-ND2 2.94Å; Q621-E1081 VanDerWaalsContact CA-CD 3.4Å; Q621-E1081 WeakPolarHBondContact CA-OE1 3.45Å; Q621-E1081 WeakPolarHBondContact CB-OE1 3.3Å; Q621-E1081 WeakPolarHBondContact CG-OE1 3.45Å; Q621-E1081 PolarHBondContact NE2-OE1 3.47Å
622N82.9Confident90.5Very high69 Ų6932.8 Ų32.837%0.36917%0.17SC..SBendtrans-75.579.3173-175.94.2000110.4I664 E1081N622-I664 WeakPolarHBondContact CA-O 3.49Å; N622-I664 PolarHBondContact OD1-O 2.96Å; N622-E1081 PolarHBondContact N-OE2 3.31Å
623M86.1Confident90.3Very high48 Ų4837 Ų3724%0.23619%0.189CC..SBendtrans-156.5-179.1178.161.1-177.856.100109Q621 D627 N628 I664Q621-M623 VanDerWaalsContact C-N 3.26Å; Q621-M623 HydrophobicContact CB-CE 3.74Å; Q621-M623 HydrophobicContact CB-CG 3.9Å; Q621-M623 HydrophobicContact CB-SD 3.99Å; Q621-M623 HydrophobicContact CG-CE 4.29Å; Q621-M623 PolarHBondContact O-N 3.26Å; M623-D627 HydrophobicContact CB-CB 4.12Å; M623-D627 HydrophobicContact CG-CB 3.82Å; M623-D627 HydrophobicContact SD-CB 3.43Å; M623-D627 WeakPolarHBondContact SD-CB 3.46Å; M623-N628 HydrophobicContact CG-CB 4.43Å; M623-N628 WeakPolarHBondContact CG-ND2 3.47Å; M623-N628 PolarHBondContact O-ND2 3.42Å; M623-I664 WeakPolarHBondContact O-CB 3.39Å; M623-I664 PolarHBondContact O-N 2.92Å
624T89Confident90.2Very high22 Ų2240.2 Ų40.214%0.13521%0.212CC..BIsolated β-bridgetrans-59.6155.4177.5690000111.7K626 D627 N628 T662 E663T624-K626 PolarHBondContact O-N 3.48Å; T624-D627 PolarHBondContact O-N 2.85Å; T624-D627 WeakPolarHBondContact OG1-CB 3.32Å; T624-D627 PolarHBondContact OG1-N 3.1Å; T624-D627 PolarHBondContact OG1-OD2 2.93Å; T624-N628 PolarHBondContact O-N 3.33Å; T624-N628 PolarHBondContact O-ND2 3.14Å; T624-T662 WeakPolarHBondContact CA-O 3.3Å; T624-E663 HydrophobicContact CG2-CG 4.41Å
625V89.9Confident90.1Very high0 Ų044.3 Ų44.30%023%0.228CC..Hα-helixtrans-53.1-43.1171.4175.70000110.1N628 I629 L653 F656 D660 T662 I664 I679V625-N628 WeakPolarHBondContact O-CB 3.45Å; V625-N628 PolarHBondContact O-N 3.47Å; V625-I629 HydrophobicContact CG1-CD1 3.97Å; V625-I629 WeakPolarHBondContact O-CG1 3.4Å; V625-I629 PolarHBondContact O-N 2.7Å; V625-I629 VanDerWaalsContact O-N 3.13Å; V625-L653 HydrophobicContact CG1-CD2 4.24Å; V625-F656 HydrophobicContact CG2-CD2 4.24Å; V625-F656 HydrophobicContact CG2-CE2 4.01Å; V625-D660 WeakPolarHBondContact CB-O 3.3Å; V625-D660 PolarHBondContact N-O 2.87Å; V625-T662 PolarHBondContact N-O 3.49Å; V625-I664 HydrophobicContact CB-CD1 4.43Å; V625-I664 HydrophobicContact CG2-CD1 3.85Å; V625-I664 HydrophobicContact CG2-CG1 3.89Å; V625-I679 HydrophobicContact CG1-CD1 4.06Å; V625-I679 HydrophobicContact CG1-CG1 4.25Å; V625-I679 HydrophobicContact CG2-CD1 4.29Å
626K93.2Very high90.2Very high45 Ų4551.5 Ų51.520%0.19625%0.253CS..Hα-helixtrans-57.9-52.5176.2-179.1175.8176.5173.80113.1T624 N628 I629 L630 Y635 Y640 D660T624-K626 PolarHBondContact O-N 3.48Å; K626-N628 VanDerWaalsContact C-N 3.27Å; K626-N628 PolarHBondContact O-N 2.92Å; K626-I629 PolarHBondContact O-N 2.81Å; K626-I629 VanDerWaalsContact O-N 3.13Å; K626-L630 HydrophobicContact CG-CD1 3.97Å; K626-L630 HydrophobicContact CG-CG 4.35Å; K626-L630 VanDerWaalsContact O-CG 3.3Å; K626-L630 WeakPolarHBondContact O-CG 3.44Å; K626-L630 PolarHBondContact O-N 3.24Å; K626-Y635 HydrophobicContact CD-CE2 4.34Å; K626-Y635 VanDerWaalsContact CE-CE2 3.4Å; K626-Y640 VanDerWaalsContact CA-OH 3.3Å; K626-Y640 WeakPolarHBondContact CA-OH 2.69Å; K626-Y640 WeakPolarHBondContact CB-OH 3.18Å; K626-Y640 HydrophobicContact CG-CE2 4.35Å; K626-D660 HydrophobicContact CB-CB 4.42Å; K626-D660 WeakPolarHBondContact CB-O 3.38Å; K626-D660 PolarHBondContact N-O 3.28Å
627D91.6Very high90.5Very high73 Ų7352.1 Ų52.139%0.3926%0.256SS..Hα-helixtrans-66.4-32.5-177.8-64.5-41.1000112M623 T624 I629 L630 F631M623-D627 HydrophobicContact CB-CB 4.12Å; M623-D627 HydrophobicContact CG-CB 3.82Å; M623-D627 HydrophobicContact SD-CB 3.43Å; M623-D627 WeakPolarHBondContact SD-CB 3.46Å; T624-D627 PolarHBondContact O-N 2.85Å; T624-D627 WeakPolarHBondContact OG1-CB 3.32Å; T624-D627 PolarHBondContact OG1-N 3.1Å; T624-D627 PolarHBondContact OG1-OD2 2.93Å; D627-I629 VanDerWaalsContact C-N 3.34Å; D627-I629 PolarHBondContact O-N 2.88Å; D627-L630 PolarHBondContact O-N 3.42Å; D627-F631 WeakPolarHBondContact O-CA 3.42Å; D627-F631 PolarHBondContact O-N 3.16Å
628N92.2Very high90.9Very high0 Ų052.4 Ų52.40%025%0.251CS..Hα-helixtrans-61.4-41172.4-96.8-75.4000112.9I620 Q621 M623 T624 V625 K626 I679 R683I620-N628 WeakPolarHBondContact CG2-OD1 3.43Å; Q621-N628 WeakPolarHBondContact CB-OD1 3.41Å; Q621-N628 PolarHBondContact N-OD1 3.04Å; Q621-N628 PolarHBondContact O-ND2 2.94Å; M623-N628 HydrophobicContact CG-CB 4.43Å; M623-N628 WeakPolarHBondContact CG-ND2 3.47Å; M623-N628 PolarHBondContact O-ND2 3.42Å; T624-N628 PolarHBondContact O-N 3.33Å; T624-N628 PolarHBondContact O-ND2 3.14Å; V625-N628 WeakPolarHBondContact O-CB 3.45Å; V625-N628 PolarHBondContact O-N 3.47Å; K626-N628 VanDerWaalsContact C-N 3.27Å; K626-N628 PolarHBondContact O-N 2.92Å; N628-I679 HydrophobicContact CB-CG2 4.06Å; N628-R683 WeakPolarHBondContact O-CG 3.43Å; N628-R683 PolarHBondContact O-NE 3.3Å; N628-R683 PolarHBondContact OD1-NH2 3.37Å
629I95.2Very high91.1Very high1 Ų154 Ų541%0.00526%0.256CS..Hα-helixtrans-73.7-42.3178.5-66169.5000110.4V625 K626 D627 Y640 L644 L649 I679 A682 Y686V625-I629 HydrophobicContact CG1-CD1 3.97Å; V625-I629 WeakPolarHBondContact O-CG1 3.4Å; V625-I629 PolarHBondContact O-N 2.7Å; V625-I629 VanDerWaalsContact O-N 3.13Å; K626-I629 PolarHBondContact O-N 2.81Å; K626-I629 VanDerWaalsContact O-N 3.13Å; D627-I629 VanDerWaalsContact C-N 3.34Å; D627-I629 PolarHBondContact O-N 2.88Å; I629-Y640 HydrophobicContact CB-CE2 3.98Å; I629-Y640 HydrophobicContact CD1-CE2 4.07Å; I629-Y640 HydrophobicContact CG2-CD2 4.07Å; I629-Y640 HydrophobicContact CG2-CE2 3.73Å; I629-L644 HydrophobicContact CD1-CD2 3.67Å; I629-L649 HydrophobicContact CD1-CD1 4.29Å; I629-I679 HydrophobicContact CG1-CG2 4.07Å; I629-A682 HydrophobicContact CD1-CB 4.07Å; I629-A682 HydrophobicContact CG1-CB 3.99Å; I629-A682 HydrophobicContact CG2-CB 4.29Å; I629-Y686 HydrophobicContact CG2-CD2 4.44Å; I629-Y686 HydrophobicContact CG2-CG 4.09Å
630L94.1Very high91.3Very high18 Ų1853.5 Ų53.59%0.09425%0.254CS..Hα-helixtrans-65.9-42179-67.4-178.2000112.1K626 D627 S632 K633 Y635 Y640 Y686K626-L630 HydrophobicContact CG-CD1 3.97Å; K626-L630 HydrophobicContact CG-CG 4.35Å; K626-L630 VanDerWaalsContact O-CG 3.3Å; K626-L630 WeakPolarHBondContact O-CG 3.44Å; K626-L630 PolarHBondContact O-N 3.24Å; D627-L630 PolarHBondContact O-N 3.42Å; L630-S632 VanDerWaalsContact C-N 3.32Å; L630-S632 PolarHBondContact O-N 3.43Å; L630-K633 PolarHBondContact O-N 3.46Å; L630-Y635 HydrophobicContact CD1-CD2 4.04Å; L630-Y635 HydrophobicContact CD2-CD2 4.04Å; L630-Y640 HydrophobicContact CD2-CD2 4.36Å; L630-Y686 HydrophobicContact CD2-CD1 3.95Å; L630-Y686 HydrophobicContact CD2-CE1 3.22Å; L630-Y686 HydrophobicContact CD2-CE2 4.31Å; L630-Y686 VanDerWaalsContact CD2-CZ 3.43Å
631F91.2Very high91.5Very high9 Ų956.3 Ų56.34%0.03927%0.27CS..THydrogen-bonded Turntrans52.5-84.3-176.1-167.2-115.7000112.5W619 D627 R683 Y1092 A1094 R1097 F1098W619-F631 AromaticContact CH2-CE2 3.93Å; W619-F631 HydrophobicContact CH2-CE2 3.93Å; W619-F631 HydrophobicContact CH2-CZ 4.36Å; W619-F631 AromaticContact CZ3-CE2 3.79Å; W619-F631 HydrophobicContact CZ3-CE2 3.79Å; W619-F631 HydrophobicContact CZ3-CZ 4.14Å; D627-F631 WeakPolarHBondContact O-CA 3.42Å; D627-F631 PolarHBondContact O-N 3.16Å; F631-R683 HydrophobicContact CB-CG 4.02Å; F631-Y1092 HydrophobicContact CD1-CG 4.4Å; F631-Y1092 HydrophobicContact CE1-CD2 4.11Å; F631-Y1092 HydrophobicContact CE1-CG 4.01Å; F631-A1094 HydrophobicContact CE1-CB 4.05Å; F631-A1094 HydrophobicContact CZ-CB 4.3Å; F631-R1097 VanDerWaalsContact C-NH1 3.35Å; F631-R1097 VanDerWaalsContact O-CZ 3.26Å; F631-R1097 PolarHBondContact O-NH1 3.33Å; F631-R1097 PolarHBondContact O-NH2 2.81Å; F631-F1098 HydrophobicContact CE2-CE2 4.09Å; F631-F1098 AromaticContact CE2-CZ 3.94Å; F631-F1098 HydrophobicContact CE2-CZ 3.94Å; F631-F1098 AromaticContact CZ-CE2 3.78Å; F631-F1098 HydrophobicContact CZ-CE2 3.78Å; F631-F1098 HydrophobicContact CZ-CZ 4.05Å
632S84.3Confident91.8Very high62 Ų6260.8 Ų60.843%0.43429%0.289SS..THydrogen-bonded Turntrans-121.6-0.2178.161.10000114.7L630 H687L630-S632 VanDerWaalsContact C-N 3.32Å; L630-S632 PolarHBondContact O-N 3.43Å; S632-H687 PolarHBondContact OG-CE1 2.66Å
633K90.8Very high92.4Very high88 Ų8857.5 Ų57.538%0.38327%0.272SS..SBendtrans-94.7147.5-178.5-65.1-65.7-177.1178.70111.1L630 Y686 H687L630-K633 PolarHBondContact O-N 3.46Å; K633-Y686 HydrophobicContact CB-CD1 4.12Å; K633-Y686 HydrophobicContact CB-CE1 3.81Å; K633-H687 WeakPolarHBondContact CE-NE2 3.39Å; K633-H687 WeakPolarHBondContact CE-O 3.35Å
634P93.5Very high92.8Very high86 Ų8655.4 Ų55.456%0.55826%0.261SS*.PPolyproline II helixtrans-69.2148.1176.329.6-35.2000111.2R636 Y686P634-R636 PolarHBondContact O-N 2.96Å; P634-Y686 PolarHBondContact O-OH 2.92Å
635Y94.1Very high93Very high85 Ų8561.6 Ų61.633%0.33329%0.286SS..PPolyproline II helixtrans-63.8129.5177.9-175.8-111.8000112.3K626 L630 Q637 Y640K626-Y635 HydrophobicContact CD-CE2 4.34Å; K626-Y635 VanDerWaalsContact CE-CE2 3.4Å; L630-Y635 HydrophobicContact CD1-CD2 4.04Å; L630-Y635 HydrophobicContact CD2-CD2 4.04Å; Y635-Q637 HydrophobicContact CE1-CB 4.31Å; Y635-Q637 PolarHBondContact OH-NE2 2.9Å; Y635-Q637 VanDerWaalsContact OH-NE2 3.1Å; Y635-Q637 PolarHBondContact OH-OE1 2.94Å; Y635-Y640 HydrophobicContact CD2-CG 4.45Å; Y635-Y640 AromaticContact CE2-CD1 3.79Å; Y635-Y640 HydrophobicContact CE2-CD1 3.79Å; Y635-Y640 HydrophobicContact CE2-CD2 4.2Å; Y635-Y640 HydrophobicContact CE2-CE1 4.21Å; Y635-Y640 AromaticContact CE2-CG 3.77Å; Y635-Y640 HydrophobicContact CE2-CG 3.77Å
636R95Very high93.2Very high165 Ų16562 Ų6262%0.62329%0.289SS*.  trans-137102.4177.1-65.1-178.7179.6-179.3-1108.8P634 Y638 L639 Y640 Y686P634-R636 PolarHBondContact O-N 2.96Å; R636-Y638 PolarHBondContact O-N 3.32Å; R636-L639 HydrophobicContact CB-CB 4.25Å; R636-L639 PolarHBondContact O-N 3.01Å; R636-Y640 VanDerWaalsContact O-CB 3.29Å; R636-Y640 WeakPolarHBondContact O-CB 3.42Å; R636-Y640 PolarHBondContact O-N 3.23Å; R636-Y686 PolarHBondContact N-OH 3.24Å
637Q92.5Very high93.2Very high100 Ų10059.8 Ų59.847%0.46728%0.28SS..Hα-helixtrans-50.7-52.4-171.2-173.374.452.900113.8Y635 L639 Y640 N641Y635-Q637 HydrophobicContact CE1-CB 4.31Å; Y635-Q637 PolarHBondContact OH-NE2 2.9Å; Y635-Q637 VanDerWaalsContact OH-NE2 3.1Å; Y635-Q637 PolarHBondContact OH-OE1 2.94Å; Q637-L639 PolarHBondContact O-N 3.28Å; Q637-Y640 PolarHBondContact O-N 2.91Å; Q637-N641 PolarHBondContact NE2-ND2 2.95Å; Q637-N641 PolarHBondContact NE2-OD1 3.23Å; Q637-N641 VanDerWaalsContact NE2-OD1 3.12Å; Q637-N641 PolarHBondContact O-N 3.45Å
638Y94.4Very high93.1Very high180 Ų18057.4 Ų57.471%0.70627%0.27SS*.Hα-helixtrans-61.8-48-175.7175.7-97.9000112R636 Y640 K642R636-Y638 PolarHBondContact O-N 3.32Å; Y638-Y640 VanDerWaalsContact C-N 3.34Å; Y638-Y640 PolarHBondContact O-N 2.98Å; Y638-K642 HydrophobicContact CE1-CD 4.41Å; Y638-K642 WeakPolarHBondContact O-CB 3.26Å; Y638-K642 PolarHBondContact O-N 3.5Å; Y638-K642 VanDerWaalsContact O-N 3.09Å
639L93.1Very high93Very high56 Ų5657.4 Ų57.429%0.29327%0.27SS..Hα-helixtrans-62.8-43.4177.2179.162.6000110.9R636 Q637 K642 V643 Y686R636-L639 HydrophobicContact CB-CB 4.25Å; R636-L639 PolarHBondContact O-N 3.01Å; Q637-L639 PolarHBondContact O-N 3.28Å; L639-K642 WeakPolarHBondContact O-CB 3.44Å; L639-K642 PolarHBondContact O-N 3.3Å; L639-V643 HydrophobicContact CD1-CG2 4.3Å; L639-V643 VanDerWaalsContact O-CG2 3.32Å; L639-V643 WeakPolarHBondContact O-CG2 3.36Å; L639-V643 PolarHBondContact O-N 3.3Å; L639-Y686 HydrophobicContact CB-CE2 4.21Å; L639-Y686 HydrophobicContact CD2-CD2 4.17Å; L639-Y686 HydrophobicContact CD2-CE2 3.89Å; L639-Y686 HydrophobicContact CG-CD2 4.03Å; L639-Y686 HydrophobicContact CG-CE2 3.84Å
640Y95.4Very high92.7Very high1 Ų161.5 Ų61.50%0.00429%0.29CS..Hα-helixtrans-60.8-50.9-178.5-175.1-102000111.8K626 I629 L630 Y635 R636 Q637 Y638 K642 V643 L644 D660 Y686K626-Y640 VanDerWaalsContact CA-OH 3.3Å; K626-Y640 WeakPolarHBondContact CA-OH 2.69Å; K626-Y640 WeakPolarHBondContact CB-OH 3.18Å; K626-Y640 HydrophobicContact CG-CE2 4.35Å; I629-Y640 HydrophobicContact CB-CE2 3.98Å; I629-Y640 HydrophobicContact CD1-CE2 4.07Å; I629-Y640 HydrophobicContact CG2-CD2 4.07Å; I629-Y640 HydrophobicContact CG2-CE2 3.73Å; L630-Y640 HydrophobicContact CD2-CD2 4.36Å; Y635-Y640 HydrophobicContact CD2-CG 4.45Å; Y635-Y640 AromaticContact CE2-CD1 3.79Å; Y635-Y640 HydrophobicContact CE2-CD1 3.79Å; Y635-Y640 HydrophobicContact CE2-CD2 4.2Å; Y635-Y640 HydrophobicContact CE2-CE1 4.21Å; Y635-Y640 AromaticContact CE2-CG 3.77Å; Y635-Y640 HydrophobicContact CE2-CG 3.77Å; R636-Y640 VanDerWaalsContact O-CB 3.29Å; R636-Y640 WeakPolarHBondContact O-CB 3.42Å; R636-Y640 PolarHBondContact O-N 3.23Å; Q637-Y640 PolarHBondContact O-N 2.91Å; Y638-Y640 VanDerWaalsContact C-N 3.34Å; Y638-Y640 PolarHBondContact O-N 2.98Å; Y640-K642 VanDerWaalsContact C-N 3.3Å; Y640-K642 PolarHBondContact O-N 2.88Å; Y640-V643 PolarHBondContact O-N 3.11Å; Y640-L644 HydrophobicContact CD1-CD1 3.74Å; Y640-L644 HydrophobicContact CD1-CG 4.34Å; Y640-L644 HydrophobicContact CE1-CD1 3.36Å; Y640-L644 HydrophobicContact CE1-CG 4.13Å; Y640-L644 WeakPolarHBondContact O-CG 3.35Å; Y640-L644 PolarHBondContact O-N 3.41Å; Y640-D660 WeakPolarHBondContact CE1-OD2 3.15Å; Y640-D660 WeakPolarHBondContact OH-CB 3.45Å; Y640-D660 PolarHBondContact OH-OD2 2.95Å; Y640-Y686 HydrophobicContact CD2-CD2 4.28Å; Y640-Y686 HydrophobicContact CD2-CE2 4.06Å; Y640-Y686 HydrophobicContact CG-CE2 4.47Å
641N94.3Very high92.1Very high68 Ų6865.4 Ų65.436%0.36431%0.312SS..Hα-helixtrans-62.7-37.1177.4-70.8-1.4000112.2Q637 V643 L644 K645Q637-N641 PolarHBondContact NE2-ND2 2.95Å; Q637-N641 PolarHBondContact NE2-OD1 3.23Å; Q637-N641 VanDerWaalsContact NE2-OD1 3.12Å; Q637-N641 PolarHBondContact O-N 3.45Å; N641-V643 VanDerWaalsContact C-N 3.35Å; N641-L644 PolarHBondContact O-N 2.99Å; N641-K645 PolarHBondContact O-N 3.35Å; N641-K645 VanDerWaalsContact O-N 3.08Å
642K94.8Very high91.7Very high100 Ų10065.5 Ų65.544%0.43531%0.312SS..Hα-helixtrans-62.5-42.5176-167.5-178.3-170.6-172.10111.6Y638 L639 Y640 A646 L719Y638-K642 HydrophobicContact CE1-CD 4.41Å; Y638-K642 WeakPolarHBondContact O-CB 3.26Å; Y638-K642 PolarHBondContact O-N 3.5Å; Y638-K642 VanDerWaalsContact O-N 3.09Å; L639-K642 WeakPolarHBondContact O-CB 3.44Å; L639-K642 PolarHBondContact O-N 3.3Å; Y640-K642 VanDerWaalsContact C-N 3.3Å; Y640-K642 PolarHBondContact O-N 2.88Å; K642-A646 WeakPolarHBondContact O-CB 3.41Å; K642-A646 PolarHBondContact O-N 3.47Å; K642-A646 VanDerWaalsContact O-N 3.15Å; K642-L719 HydrophobicContact CD-CD2 3.88Å; K642-L719 VanDerWaalsContact CE-CD2 3.4Å; K642-L719 HydrophobicContact CG-CD2 4Å
643V95.2Very high91.6Very high1 Ų163.8 Ų63.81%0.00630%0.298CS..Hα-helixtrans-66.6-46.5176.8172.10000111.3L639 Y640 N641 K645 A646 C647 A682 V685 Y686 L719L639-V643 HydrophobicContact CD1-CG2 4.3Å; L639-V643 VanDerWaalsContact O-CG2 3.32Å; L639-V643 WeakPolarHBondContact O-CG2 3.36Å; L639-V643 PolarHBondContact O-N 3.3Å; Y640-V643 PolarHBondContact O-N 3.11Å; N641-V643 VanDerWaalsContact C-N 3.35Å; V643-K645 VanDerWaalsContact C-N 3.31Å; V643-K645 PolarHBondContact O-N 3.37Å; V643-A646 PolarHBondContact O-N 3.24Å; V643-C647 WeakPolarHBondContact O-CB 3.48Å; V643-C647 PolarHBondContact O-N 2.84Å; V643-A682 HydrophobicContact CG1-CB 3.81Å; V643-V685 HydrophobicContact CG1-CB 4.1Å; V643-V685 HydrophobicContact CG1-CG1 4.22Å; V643-V685 HydrophobicContact CG2-CB 4.39Å; V643-V685 HydrophobicContact CG2-CG1 3.76Å; V643-Y686 HydrophobicContact CG2-CD2 4.3Å; V643-L719 HydrophobicContact CG2-CD1 4.33Å
644L94.7Very high91.1Very high4 Ų467.1 Ų67.12%0.02131%0.313CS..Hα-helixtrans-57.9-43.1178.8-70.7177.8000112.6I629 Y640 N641 A648 L649 M650 L653I629-L644 HydrophobicContact CD1-CD2 3.67Å; Y640-L644 HydrophobicContact CD1-CD1 3.74Å; Y640-L644 HydrophobicContact CD1-CG 4.34Å; Y640-L644 HydrophobicContact CE1-CD1 3.36Å; Y640-L644 HydrophobicContact CE1-CG 4.13Å; Y640-L644 WeakPolarHBondContact O-CG 3.35Å; Y640-L644 PolarHBondContact O-N 3.41Å; N641-L644 PolarHBondContact O-N 2.99Å; L644-A648 PolarHBondContact O-N 3.48Å; L644-L649 HydrophobicContact CD2-CB 3.89Å; L644-L649 HydrophobicContact CD2-CD1 3.71Å; L644-L649 HydrophobicContact CD2-CG 4.47Å; L644-L649 PolarHBondContact O-N 2.78Å; L644-M650 HydrophobicContact CB-SD 3.86Å; L644-M650 HydrophobicContact CD1-SD 4.47Å; L644-L653 HydrophobicContact CD1-CD1 3.61Å; L644-L653 HydrophobicContact CD2-CD1 4.17Å; L644-L653 HydrophobicContact CG-CD1 4.42Å
645K94.1Very high90.2Very high151 Ų15169.6 Ų69.666%0.65732%0.32SS*.Hα-helixtrans-63.4-48.1176.1-173.1177.2179.3179.40111.4N641 V643 C647 A648 M650 H708N641-K645 PolarHBondContact O-N 3.35Å; N641-K645 VanDerWaalsContact O-N 3.08Å; V643-K645 VanDerWaalsContact C-N 3.31Å; V643-K645 PolarHBondContact O-N 3.37Å; K645-C647 VanDerWaalsContact C-N 3.35Å; K645-C647 PolarHBondContact O-N 2.84Å; K645-A648 PolarHBondContact O-N 3.4Å; K645-A648 VanDerWaalsContact O-N 3.16Å; K645-M650 HydrophobicContact CB-CG 4.32Å; K645-H708 PolarHBondContact O-CE1 3.42Å
646A92.9Very high89.3Confident8 Ų866.8 Ų66.87%0.06631%0.31CS..Hα-helixtrans-65.7-36.8-177.800000112.8K642 V643 A648 H708 N712 V713 L719K642-A646 WeakPolarHBondContact O-CB 3.41Å; K642-A646 PolarHBondContact O-N 3.47Å; K642-A646 VanDerWaalsContact O-N 3.15Å; V643-A646 PolarHBondContact O-N 3.24Å; A646-A648 PolarHBondContact O-N 2.99Å; A646-H708 PolarHBondContact O-CE1 2.86Å; A646-N712 HydrophobicContact CB-CB 4.21Å; A646-V713 HydrophobicContact CB-CG2 3.72Å; A646-V713 WeakPolarHBondContact O-CG2 3.46Å; A646-L719 HydrophobicContact CB-CD1 3.41Å; A646-L719 VanDerWaalsContact CB-CD1 3.41Å; A646-L719 HydrophobicContact CB-CG 3.96Å
647C93.1Very high88.1Confident0 Ų064.4 Ų64.40%033%0.325CS..THydrogen-bonded Turntrans-81.48.2176.3-65.80000113.9V643 K645 L649 R678 A682V643-C647 WeakPolarHBondContact O-CB 3.48Å; V643-C647 PolarHBondContact O-N 2.84Å; K645-C647 VanDerWaalsContact C-N 3.35Å; K645-C647 PolarHBondContact O-N 2.84Å; C647-L649 HydrophobicContact CB-CD1 4.15Å; C647-L649 HydrophobicContact CB-CG 4.32Å; C647-L649 PolarHBondContact O-N 2.83Å; C647-R678 WeakPolarHBondContact O-CD 3.37Å; C647-A682 HydrophobicContact CB-CB 4.31Å
648A90Very high87.3Confident23 Ų2362.3 Ų62.319%0.1933%0.325CS..THydrogen-bonded Turntrans55.932.8-179.200000114.6L644 K645 A646 V705 I709L644-A648 PolarHBondContact O-N 3.48Å; K645-A648 PolarHBondContact O-N 3.4Å; K645-A648 VanDerWaalsContact O-N 3.16Å; A646-A648 PolarHBondContact O-N 2.99Å; A648-V705 HydrophobicContact CB-CG1 3.84Å; A648-I709 HydrophobicContact CB-CG1 4.44Å
649L91Very high86.8Confident0 Ų054.7 Ų54.70%030%0.302CS..  trans-87.8-12.2179.6-77167.4000113.4I629 L644 C647 D651 D652 L653 R678 I679 A682I629-L649 HydrophobicContact CD1-CD1 4.29Å; L644-L649 HydrophobicContact CD2-CB 3.89Å; L644-L649 HydrophobicContact CD2-CD1 3.71Å; L644-L649 HydrophobicContact CD2-CG 4.47Å; L644-L649 PolarHBondContact O-N 2.78Å; C647-L649 HydrophobicContact CB-CD1 4.15Å; C647-L649 HydrophobicContact CB-CG 4.32Å; C647-L649 PolarHBondContact O-N 2.83Å; L649-D651 VanDerWaalsContact C-N 3.3Å; L649-D651 PolarHBondContact O-N 3.31Å; L649-D652 HydrophobicContact CD2-CB 4.46Å; L649-D652 WeakPolarHBondContact O-CB 3.26Å; L649-D652 PolarHBondContact O-N 3.03Å; L649-L653 VanDerWaalsContact O-CG 3.31Å; L649-L653 WeakPolarHBondContact O-CG 3.19Å; L649-L653 PolarHBondContact O-N 3.29Å; L649-R678 HydrophobicContact CD2-CB 3.6Å; L649-R678 HydrophobicContact CG-CB 3.97Å; L649-I679 HydrophobicContact CD1-CG1 4.39Å; L649-I679 HydrophobicContact CD2-CG1 3.88Å; L649-A682 HydrophobicContact CD1-CB 3.65Å
650M88.5Confident86.6Confident86 Ų8653.7 Ų53.742%0.42430%0.296SS..Hα-helixtrans-62.1-36.6-173.4-65-67.8-8300112.8L644 K645 K654L644-M650 HydrophobicContact CB-SD 3.86Å; L644-M650 HydrophobicContact CD1-SD 4.47Å; K645-M650 HydrophobicContact CB-CG 4.32Å; M650-K654 WeakPolarHBondContact O-CG 3.43Å; M650-K654 PolarHBondContact O-N 3.42Å
651D81.7Confident86.1Confident101 Ų10158.1 Ų58.154%0.5432%0.32SS..Hα-helixtrans-77.6-34.3178-62.6-42.6000111.9L649 L653 K654 L655L649-D651 VanDerWaalsContact C-N 3.3Å; L649-D651 PolarHBondContact O-N 3.31Å; D651-L653 VanDerWaalsContact C-N 3.33Å; D651-L653 PolarHBondContact O-N 3.27Å; D651-K654 WeakPolarHBondContact O-CB 3.31Å; D651-K654 PolarHBondContact O-N 2.88Å; D651-K654 IonicContact OD1-NZ 3.41Å; D651-K654 PolarHBondContact OD1-NZ 2.68Å; D651-L655 PolarHBondContact O-N 2.97Å
652D81.9Confident85.5Confident11 Ų1156.1 Ų56.16%0.05931%0.311CS..Hα-helixtrans-60-43.7170.8-67-50.8000111.3L649 K654 L655 F656 Q675 R678L649-D652 HydrophobicContact CD2-CB 4.46Å; L649-D652 WeakPolarHBondContact O-CB 3.26Å; L649-D652 PolarHBondContact O-N 3.03Å; D652-K654 PolarHBondContact O-N 3.43Å; D652-L655 WeakPolarHBondContact O-CB 3.41Å; D652-L655 PolarHBondContact O-N 3.36Å; D652-F656 HydrophobicContact CB-CE2 4.28Å; D652-F656 HydrophobicContact CB-CZ 3.96Å; D652-F656 WeakPolarHBondContact O-CD1 3.43Å; D652-F656 WeakPolarHBondContact O-CG 3.49Å; D652-F656 PolarHBondContact O-N 3.27Å; D652-F656 VanDerWaalsContact O-N 3.16Å; D652-Q675 HydrophobicContact CB-CG 4.49Å; D652-Q675 VanDerWaalsContact OD1-CG 3.3Å; D652-Q675 WeakPolarHBondContact OD1-CG 3.43Å; D652-Q675 PolarHBondContact OD1-NE2 3.39Å; D652-R678 IonicContact OD1-CZ 2.72Å; D652-R678 IonicContact OD1-NH2 3.71Å; D652-R678 PolarHBondContact OD1-NH2 3.25Å; D652-R678 IonicContact OD2-CZ 2.83Å; D652-R678 IonicContact OD2-NE 2.81Å; D652-R678 PolarHBondContact OD2-NE 3.49Å; D652-R678 IonicContact OD2-NH2 3.94Å; D652-R678 PolarHBondContact OD2-NH2 2.99Å
653L82.5Confident84.7Confident25 Ų2558.4 Ų58.413%0.13132%0.323CS..Hα-helixtrans-63.5-27.5178.9-68-179.5000113V625 L644 L649 D651 L655 F656 G659 D660V625-L653 HydrophobicContact CG1-CD2 4.24Å; L644-L653 HydrophobicContact CD1-CD1 3.61Å; L644-L653 HydrophobicContact CD2-CD1 4.17Å; L644-L653 HydrophobicContact CG-CD1 4.42Å; L649-L653 VanDerWaalsContact O-CG 3.31Å; L649-L653 WeakPolarHBondContact O-CG 3.19Å; L649-L653 PolarHBondContact O-N 3.29Å; D651-L653 VanDerWaalsContact C-N 3.33Å; D651-L653 PolarHBondContact O-N 3.27Å; L653-L655 VanDerWaalsContact C-N 3.33Å; L653-F656 HydrophobicContact CD2-CD2 3.78Å; L653-F656 HydrophobicContact CD2-CE2 4.01Å; L653-G659 WeakPolarHBondContact O-CA 3.41Å; L653-D660 HydrophobicContact CD1-CB 4.29Å; L653-D660 HydrophobicContact CD2-CB 3.92Å
654K80.1Confident83.8Confident159 Ų15958.4 Ų58.469%0.69132%0.323SS*.Hα-helixtrans-71.7-29.6174-66.1169.8-169.6161.60112.2M650 D651 D652M650-K654 WeakPolarHBondContact O-CG 3.43Å; M650-K654 PolarHBondContact O-N 3.42Å; D651-K654 WeakPolarHBondContact O-CB 3.31Å; D651-K654 PolarHBondContact O-N 2.88Å; D651-K654 IonicContact OD1-NZ 3.41Å; D651-K654 PolarHBondContact OD1-NZ 2.68Å; D652-K654 PolarHBondContact O-N 3.43Å
655L74.9Confident82.5Confident137 Ų13759.1 Ų59.172%0.71733%0.331SS*.Hα-helixtrans-78.3-25.1177.3-65.2169.8000112D651 D652 L653D651-L655 PolarHBondContact O-N 2.97Å; D652-L655 WeakPolarHBondContact O-CB 3.41Å; D652-L655 PolarHBondContact O-N 3.36Å; L653-L655 VanDerWaalsContact C-N 3.33Å
656F76Confident81.1Confident27 Ų2756.9 Ų56.912%0.11832%0.323CS..SBendtrans-77.5131.8179.6-57.6-23.6000111.9V625 D652 L653 A658 G659 T662 L671V625-F656 HydrophobicContact CG2-CD2 4.24Å; V625-F656 HydrophobicContact CG2-CE2 4.01Å; D652-F656 HydrophobicContact CB-CE2 4.28Å; D652-F656 HydrophobicContact CB-CZ 3.96Å; D652-F656 WeakPolarHBondContact O-CD1 3.43Å; D652-F656 WeakPolarHBondContact O-CG 3.49Å; D652-F656 PolarHBondContact O-N 3.27Å; D652-F656 VanDerWaalsContact O-N 3.16Å; L653-F656 HydrophobicContact CD2-CD2 3.78Å; L653-F656 HydrophobicContact CD2-CE2 4.01Å; F656-A658 PolarHBondContact O-N 3.46Å; F656-G659 PolarHBondContact O-N 2.99Å; F656-G659 VanDerWaalsContact O-N 3.07Å; F656-T662 HydrophobicContact CB-CG2 4.21Å; F656-T662 VanDerWaalsContact CB-OG1 3.3Å; F656-T662 WeakPolarHBondContact CB-OG1 3.45Å; F656-T662 HydrophobicContact CG-CG2 4.48Å; F656-L671 HydrophobicContact CE1-CD2 3.61Å; F656-L671 HydrophobicContact CE2-CD2 4.27Å; F656-L671 HydrophobicContact CZ-CD2 3.4Å; F656-L671 VanDerWaalsContact CZ-CD2 3.4Å
657A69.8Low79.7Confident114 Ų11463.3 Ų63.394%0.94235%0.349SS*.THydrogen-bonded Turntrans-54.3-30.8-176.600000114.6
658A76Confident78Confident56 Ų5663.3 Ų63.346%0.46335%0.35SS..THydrogen-bonded Turntrans-122.122179.500000113.2F656 D660 N661 T662F656-A658 PolarHBondContact O-N 3.46Å; A658-D660 PolarHBondContact O-N 3.09Å; A658-N661 PolarHBondContact O-N 3.37Å; A658-N661 VanDerWaalsContact O-N 3.17Å; A658-T662 PolarHBondContact N-OG1 3.03Å
659G83.3Confident76.6Confident21 Ų2166.2 Ų66.222%0.21637%0.374CS..G310 helixtrans56.6-128.3-176.900000112.1L653 F656 N661 T662L653-G659 WeakPolarHBondContact O-CA 3.41Å; F656-G659 PolarHBondContact O-N 2.99Å; F656-G659 VanDerWaalsContact O-N 3.07Å; G659-N661 VanDerWaalsContact C-N 3.33Å; G659-N661 PolarHBondContact O-N 2.95Å; G659-T662 PolarHBondContact N-OG1 2.73Å; G659-T662 VanDerWaalsContact O-CB 3.26Å; G659-T662 WeakPolarHBondContact O-CB 3.19Å; G659-T662 PolarHBondContact O-N 3.18Å; G659-T662 PolarHBondContact O-OG1 3.35Å
660D88.5Confident75.4Confident34 Ų3471.7 Ų71.718%0.18240%0.403CS..G310 helixtrans-79.9-11-178.268.3-26.7000114.5V625 K626 Y640 L653 A658V625-D660 WeakPolarHBondContact CB-O 3.3Å; V625-D660 PolarHBondContact N-O 2.87Å; K626-D660 HydrophobicContact CB-CB 4.42Å; K626-D660 WeakPolarHBondContact CB-O 3.38Å; K626-D660 PolarHBondContact N-O 3.28Å; Y640-D660 WeakPolarHBondContact CE1-OD2 3.15Å; Y640-D660 WeakPolarHBondContact OH-CB 3.45Å; Y640-D660 PolarHBondContact OH-OD2 2.95Å; L653-D660 HydrophobicContact CD1-CB 4.29Å; L653-D660 HydrophobicContact CD2-CB 3.92Å; A658-D660 PolarHBondContact O-N 3.09Å
661N85.8Confident74.5Confident94 Ų9468.4 Ų68.450%0.50339%0.387SS..G310 helixtrans-84.81.4170.3-61-54.8000112.5A658 G659 E663A658-N661 PolarHBondContact O-N 3.37Å; A658-N661 VanDerWaalsContact O-N 3.17Å; G659-N661 VanDerWaalsContact C-N 3.33Å; G659-N661 PolarHBondContact O-N 2.95Å; N661-E663 PolarHBondContact O-N 2.9Å
662T80.7Confident74.1Confident27 Ų2766.4 Ų66.417%0.16638%0.381CS..PPolyproline II helixtrans-60.2124.4176.7-58.10000110.1T624 V625 F656 A658 G659T624-T662 WeakPolarHBondContact CA-O 3.3Å; V625-T662 PolarHBondContact N-O 3.49Å; F656-T662 HydrophobicContact CB-CG2 4.21Å; F656-T662 VanDerWaalsContact CB-OG1 3.3Å; F656-T662 WeakPolarHBondContact CB-OG1 3.45Å; F656-T662 HydrophobicContact CG-CG2 4.48Å; A658-T662 PolarHBondContact N-OG1 3.03Å; G659-T662 PolarHBondContact N-OG1 2.73Å; G659-T662 VanDerWaalsContact O-CB 3.26Å; G659-T662 WeakPolarHBondContact O-CB 3.19Å; G659-T662 PolarHBondContact O-N 3.18Å; G659-T662 PolarHBondContact O-OG1 3.35Å
663E78.3Confident73.7Confident147 Ų14767.3 Ų67.369%0.68739%0.393SS*.BIsolated β-bridgetrans-73.6126176.5-67.5-175.9177.100110.3T624 N661T624-E663 HydrophobicContact CG2-CG 4.41Å; N661-E663 PolarHBondContact O-N 2.9Å
664I77.1Confident73.5Confident2 Ų266.4 Ų66.41%0.0139%0.389CS..PPolyproline II helixtrans-87.6117.9177.9-57.5179.6000108.5I620 N622 M623 V625 L671 I679I620-I664 HydrophobicContact CG2-CB 4.42Å; I620-I664 HydrophobicContact CG2-CD1 3.57Å; I620-I664 HydrophobicContact CG2-CG2 3.81Å; N622-I664 WeakPolarHBondContact CA-O 3.49Å; N622-I664 PolarHBondContact OD1-O 2.96Å; M623-I664 WeakPolarHBondContact O-CB 3.39Å; M623-I664 PolarHBondContact O-N 2.92Å; V625-I664 HydrophobicContact CB-CD1 4.43Å; V625-I664 HydrophobicContact CG2-CD1 3.85Å; V625-I664 HydrophobicContact CG2-CG1 3.89Å; I664-L671 HydrophobicContact CD1-CD1 3.76Å; I664-L671 HydrophobicContact CG1-CD1 4Å; I664-L671 HydrophobicContact CG2-CD1 3.8Å; I664-L671 HydrophobicContact CG2-CG 4.44Å; I664-I679 HydrophobicContact CD1-CD1 4.01Å
665G66.4Low73.7Confident19 Ų1960 Ų6020%0.19636%0.362CS..PPolyproline II helixtrans-60.9167.8176.200000113.8K667 G668G665-K667 PolarHBondContact O-N 3.29Å; G665-G668 WeakPolarHBondContact O-CA 2.95Å; G665-G668 PolarHBondContact O-N 2.94Å
666E65Low74.3Confident103 Ų10357.6 Ų57.648%0.48134%0.343SS..G310 helixtrans-51.2130.4-179.2-69.7-170.2162.700112.3G668 A669 S1077E666-G668 PolarHBondContact O-N 3.46Å; E666-G668 VanDerWaalsContact O-N 3.13Å; E666-A669 PolarHBondContact O-N 2.91Å; E666-S1077 WeakPolarHBondContact OE1-CB 3.48Å
667K62.9Low75Confident143 Ų14356.7 Ų56.762%0.62234%0.339SS*.G310 helixtrans5912.5-173.6-55.4-178179.5178.80115.6G665G665-K667 PolarHBondContact O-N 3.29Å
668G57.1Low76.1Confident1 Ų152.1 Ų52.11%0.0130%0.298CS..G310 helixtrans74.232.8-177.900000114.3G665 E666 N670 L671G665-G668 WeakPolarHBondContact O-CA 2.95Å; G665-G668 PolarHBondContact O-N 2.94Å; E666-G668 PolarHBondContact O-N 3.46Å; E666-G668 VanDerWaalsContact O-N 3.13Å; G668-N670 PolarHBondContact O-N 3.42Å; G668-L671 PolarHBondContact O-N 2.9Å
669A60.2Low76.9Confident83 Ų8349.5 Ų49.569%0.68628%0.276SS*.THydrogen-bonded Turntrans-53.6-27-178.900000114.4E666 L671E666-A669 PolarHBondContact O-N 2.91Å; A669-L671 VanDerWaalsContact C-N 3.28Å; A669-L671 PolarHBondContact O-N 2.97Å
670N66.7Low77.4Confident116 Ų11648.7 Ų48.762%0.6227%0.267SS*.THydrogen-bonded Turntrans-84.10.9-179.7-56.3-1.2000113.2G668G668-N670 PolarHBondContact O-N 3.42Å
671L69Low77.8Confident17 Ų1747.1 Ų47.19%0.08926%0.259CS..SBendtrans-124.3144.6-171.9-63176.9000111.8F656 I664 G668 A669 Q675 R676 I679F656-L671 HydrophobicContact CE1-CD2 3.61Å; F656-L671 HydrophobicContact CE2-CD2 4.27Å; F656-L671 HydrophobicContact CZ-CD2 3.4Å; F656-L671 VanDerWaalsContact CZ-CD2 3.4Å; I664-L671 HydrophobicContact CD1-CD1 3.76Å; I664-L671 HydrophobicContact CG1-CD1 4Å; I664-L671 HydrophobicContact CG2-CD1 3.8Å; I664-L671 HydrophobicContact CG2-CG 4.44Å; G668-L671 PolarHBondContact O-N 2.9Å; A669-L671 VanDerWaalsContact C-N 3.28Å; A669-L671 PolarHBondContact O-N 2.97Å; L671-Q675 HydrophobicContact CB-CB 4.21Å; L671-Q675 HydrophobicContact CD2-CB 4.37Å; L671-R676 HydrophobicContact CB-CG 3.71Å; L671-R676 HydrophobicContact CD1-CG 4.11Å; L671-I679 HydrophobicContact CD1-CD1 3.62Å
672S74.7Confident78.2Confident59 Ų5942.7 Ų42.741%0.41324%0.235SC..  trans-67.1165.9171.977.30000112.1Q675 R676S672-Q675 PolarHBondContact O-N 3.46Å; S672-Q675 WeakPolarHBondContact OG-CB 3.43Å; S672-Q675 VanDerWaalsContact OG-CG 3.28Å; S672-Q675 WeakPolarHBondContact OG-CG 3.42Å; S672-Q675 PolarHBondContact OG-N 3.49Å; S672-Q675 VanDerWaalsContact OG-N 3.16Å; S672-R676 WeakPolarHBondContact O-CG 3.45Å; S672-R676 PolarHBondContact O-N 2.96Å; S672-R676 VanDerWaalsContact O-N 3.12Å; S672-R676 PolarHBondContact O-NE 2.85Å
673G73.2Confident78.9Confident29 Ų2941.5 Ų41.530%0.29923%0.227SC..Hα-helixtrans-54-51.417200000112.3Q675 R676 Q677G673-Q675 PolarHBondContact O-N 3.17Å; G673-R676 PolarHBondContact O-N 3.18Å; G673-Q677 PolarHBondContact O-N 3.38Å; G673-Q677 VanDerWaalsContact O-N 3.1Å
674G78.3Confident79.8Confident6 Ų634.5 Ų34.56%0.06219%0.194CC..Hα-helixtrans-62.2-39.917900000113.9Q677 R678 A700G674-Q677 PolarHBondContact O-N 3.08Å; G674-R678 WeakPolarHBondContact O-CG 3.42Å; G674-R678 PolarHBondContact O-N 3.01Å; G674-A700 WeakPolarHBondContact CA-O 3.26Å; G674-A700 PolarHBondContact N-O 3.33Å; G674-A700 VanDerWaalsContact N-O 3.12Å
675Q84.2Confident80.6Confident25 Ų2534.8 Ų34.812%0.11720%0.197CC..Hα-helixtrans-62.7-45.3176.7-76.9172.4-13.400112.3D652 L671 S672 G673 Q677 R678 I679D652-Q675 HydrophobicContact CB-CG 4.49Å; D652-Q675 VanDerWaalsContact OD1-CG 3.3Å; D652-Q675 WeakPolarHBondContact OD1-CG 3.43Å; D652-Q675 PolarHBondContact OD1-NE2 3.39Å; L671-Q675 HydrophobicContact CB-CB 4.21Å; L671-Q675 HydrophobicContact CD2-CB 4.37Å; S672-Q675 PolarHBondContact O-N 3.46Å; S672-Q675 WeakPolarHBondContact OG-CB 3.43Å; S672-Q675 VanDerWaalsContact OG-CG 3.28Å; S672-Q675 WeakPolarHBondContact OG-CG 3.42Å; S672-Q675 PolarHBondContact OG-N 3.49Å; S672-Q675 VanDerWaalsContact OG-N 3.16Å; G673-Q675 PolarHBondContact O-N 3.17Å; Q675-Q677 VanDerWaalsContact C-N 3.28Å; Q675-Q677 PolarHBondContact O-N 3.11Å; Q675-R678 PolarHBondContact O-N 3.16Å; Q675-I679 WeakPolarHBondContact O-CG1 3.42Å; Q675-I679 PolarHBondContact O-N 2.89Å
676R87.7Confident82.1Confident87 Ų8734.2 Ų34.233%0.32819%0.188SC..Hα-helixtrans-59.5-42.6176.2-70.2178.2-71.5172.8-0.5111.1A618 I620 L671 S672 G673 I679 S680A618-R676 HydrophobicContact CB-CB 3.99Å; A618-R676 WeakPolarHBondContact CB-O 3.29Å; I620-R676 HydrophobicContact CG1-CB 4.18Å; I620-R676 HydrophobicContact CG1-CG 4.34Å; L671-R676 HydrophobicContact CB-CG 3.71Å; L671-R676 HydrophobicContact CD1-CG 4.11Å; S672-R676 WeakPolarHBondContact O-CG 3.45Å; S672-R676 PolarHBondContact O-N 2.96Å; S672-R676 VanDerWaalsContact O-N 3.12Å; S672-R676 PolarHBondContact O-NE 2.85Å; G673-R676 PolarHBondContact O-N 3.18Å; R676-I679 PolarHBondContact O-N 3.17Å; R676-S680 WeakPolarHBondContact O-CB 3.39Å; R676-S680 PolarHBondContact O-N 3.46Å
677Q89.9Confident83.4Confident7 Ų730.4 Ų30.43%0.03317%0.171CC..Hα-helixtrans-64.1-43.5178.9-156.461.623.200112.2P615 Q616 G673 G674 Q675 I679 S680 L681 P697 V701P615-Q677 PolarHBondContact O-NE2 3.25Å; Q616-Q677 PolarHBondContact O-OE1 3.39Å; G673-Q677 PolarHBondContact O-N 3.38Å; G673-Q677 VanDerWaalsContact O-N 3.1Å; G674-Q677 PolarHBondContact O-N 3.08Å; Q675-Q677 VanDerWaalsContact C-N 3.28Å; Q675-Q677 PolarHBondContact O-N 3.11Å; Q677-I679 PolarHBondContact O-N 3.44Å; Q677-S680 WeakPolarHBondContact O-CB 3.34Å; Q677-S680 PolarHBondContact O-N 2.94Å; Q677-L681 WeakPolarHBondContact O-CB 3.35Å; Q677-L681 PolarHBondContact O-N 2.94Å; Q677-P697 HydrophobicContact CG-CB 4.49Å; Q677-P697 WeakPolarHBondContact CG-O 2.97Å; Q677-V701 HydrophobicContact CB-CG2 4.29Å
678R92.6Very high84.9Confident19 Ų1928.2 Ų28.27%0.07217%0.166CC..Hα-helixtrans-62.3-40.1175.8-72.2-171-69.4-95.913.6113C647 L649 D652 G674 Q675 L681 A682 I709C647-R678 WeakPolarHBondContact O-CD 3.37Å; L649-R678 HydrophobicContact CD2-CB 3.6Å; L649-R678 HydrophobicContact CG-CB 3.97Å; D652-R678 IonicContact OD1-CZ 2.72Å; D652-R678 IonicContact OD1-NH2 3.71Å; D652-R678 PolarHBondContact OD1-NH2 3.25Å; D652-R678 IonicContact OD2-CZ 2.83Å; D652-R678 IonicContact OD2-NE 2.81Å; D652-R678 PolarHBondContact OD2-NE 3.49Å; D652-R678 IonicContact OD2-NH2 3.94Å; D652-R678 PolarHBondContact OD2-NH2 2.99Å; G674-R678 WeakPolarHBondContact O-CG 3.42Å; G674-R678 PolarHBondContact O-N 3.01Å; Q675-R678 PolarHBondContact O-N 3.16Å; R678-L681 PolarHBondContact O-N 3.11Å; R678-A682 WeakPolarHBondContact O-CB 3.31Å; R678-A682 PolarHBondContact O-N 2.94Å; R678-I709 HydrophobicContact CG-CD1 3.78Å
679I93.8Very high86.6Confident0 Ų028.2 Ų28.20%017%0.165CC..Hα-helixtrans-67.2-42.9175.8-64.6169.4000111.2I620 V625 N628 I629 L649 I664 L671 Q675 R676 Q677 L681 A682 R683I620-I679 HydrophobicContact CD1-CB 4.01Å; I620-I679 HydrophobicContact CD1-CG2 3.76Å; V625-I679 HydrophobicContact CG1-CD1 4.06Å; V625-I679 HydrophobicContact CG1-CG1 4.25Å; V625-I679 HydrophobicContact CG2-CD1 4.29Å; N628-I679 HydrophobicContact CB-CG2 4.06Å; I629-I679 HydrophobicContact CG1-CG2 4.07Å; L649-I679 HydrophobicContact CD1-CG1 4.39Å; L649-I679 HydrophobicContact CD2-CG1 3.88Å; I664-I679 HydrophobicContact CD1-CD1 4.01Å; L671-I679 HydrophobicContact CD1-CD1 3.62Å; Q675-I679 WeakPolarHBondContact O-CG1 3.42Å; Q675-I679 PolarHBondContact O-N 2.89Å; R676-I679 PolarHBondContact O-N 3.17Å; Q677-I679 PolarHBondContact O-N 3.44Å; I679-L681 VanDerWaalsContact C-N 3.32Å; I679-L681 PolarHBondContact O-N 3.02Å; I679-A682 PolarHBondContact O-N 3.34Å; I679-R683 PolarHBondContact O-N 3.5Å
680S94.3Very high88.2Confident4 Ų427.7 Ų27.73%0.02815%0.151CC..Hα-helixtrans-59.5-43.5175.3-176.80000111.6R676 Q677 R683 A684R676-S680 WeakPolarHBondContact O-CB 3.39Å; R676-S680 PolarHBondContact O-N 3.46Å; Q677-S680 WeakPolarHBondContact O-CB 3.34Å; Q677-S680 PolarHBondContact O-N 2.94Å; S680-R683 WeakPolarHBondContact O-CB 3.31Å; S680-R683 PolarHBondContact O-N 3.08Å; S680-A684 PolarHBondContact O-N 3.44Å
681L95.3Very high89.5Confident2 Ų222.2 Ų22.21%0.0112%0.122CC..Hα-helixtrans-64-45.4174.4-176.263000111.5V614 Q677 R678 I679 R683 A684 V685 L694 I709 V713V614-L681 HydrophobicContact CG2-CD1 4.2Å; Q677-L681 WeakPolarHBondContact O-CB 3.35Å; Q677-L681 PolarHBondContact O-N 2.94Å; R678-L681 PolarHBondContact O-N 3.11Å; I679-L681 VanDerWaalsContact C-N 3.32Å; I679-L681 PolarHBondContact O-N 3.02Å; L681-R683 VanDerWaalsContact C-N 3.29Å; L681-R683 PolarHBondContact O-N 3.14Å; L681-A684 WeakPolarHBondContact O-CB 3.31Å; L681-A684 PolarHBondContact O-N 2.98Å; L681-A684 VanDerWaalsContact O-N 3.09Å; L681-V685 HydrophobicContact CD1-CG2 4.34Å; L681-V685 HydrophobicContact CG-CG2 4.34Å; L681-V685 VanDerWaalsContact O-CG2 3.31Å; L681-V685 WeakPolarHBondContact O-CG2 3.1Å; L681-V685 PolarHBondContact O-N 3.32Å; L681-L694 HydrophobicContact CD1-CD2 4.07Å; L681-I709 HydrophobicContact CD2-CG2 3.28Å; L681-V713 HydrophobicContact CD1-CG1 4.41Å; L681-V713 HydrophobicContact CD2-CG1 4.31Å; L681-V713 HydrophobicContact CG-CG1 4.42Å
682A95.6Very high90.8Very high0 Ų021.4 Ų21.40%012%0.118CC..Hα-helixtrans-58.5-40.2176.700000112.1I629 V643 C647 L649 R678 I679 A684 V685 Y686I629-A682 HydrophobicContact CD1-CB 4.07Å; I629-A682 HydrophobicContact CG1-CB 3.99Å; I629-A682 HydrophobicContact CG2-CB 4.29Å; V643-A682 HydrophobicContact CG1-CB 3.81Å; C647-A682 HydrophobicContact CB-CB 4.31Å; L649-A682 HydrophobicContact CD1-CB 3.65Å; R678-A682 WeakPolarHBondContact O-CB 3.31Å; R678-A682 PolarHBondContact O-N 2.94Å; I679-A682 PolarHBondContact O-N 3.34Å; A682-A684 PolarHBondContact O-N 3.29Å; A682-V685 PolarHBondContact O-N 2.79Å; A682-Y686 WeakPolarHBondContact O-CB 3.11Å; A682-Y686 PolarHBondContact O-N 2.78Å
683R95.7Very high91.9Very high2 Ų218.6 Ų18.61%0.00810%0.098CC..Hα-helixtrans-56.4-49.1172.4-177.4-167.3-61150.50111.5W619 N628 F631 I679 S680 L681 Y686 H687W619-R683 PolarHBondContact O-NH1 3.18Å; W619-R683 PolarHBondContact O-NH2 3.4Å; N628-R683 WeakPolarHBondContact O-CG 3.43Å; N628-R683 PolarHBondContact O-NE 3.3Å; N628-R683 PolarHBondContact OD1-NH2 3.37Å; F631-R683 HydrophobicContact CB-CG 4.02Å; I679-R683 PolarHBondContact O-N 3.5Å; S680-R683 WeakPolarHBondContact O-CB 3.31Å; S680-R683 PolarHBondContact O-N 3.08Å; L681-R683 VanDerWaalsContact C-N 3.29Å; L681-R683 PolarHBondContact O-N 3.14Å; R683-Y686 PolarHBondContact O-N 2.58Å; R683-H687 WeakPolarHBondContact O-CB 3.29Å; R683-H687 PolarHBondContact O-N 2.95Å
684A95.2Very high93Very high0 Ų017.2 Ų17.20%08%0.084CC..Hα-helixtrans-61.8-47.4179.300000111.8A612 V614 S680 L681 A682 Y686 H687 Y692 Y1092A612-A684 HydrophobicContact CB-CB 3.93Å; V614-A684 HydrophobicContact CG2-CB 3.49Å; V614-A684 VanDerWaalsContact CG2-CB 3.49Å; S680-A684 PolarHBondContact O-N 3.44Å; L681-A684 WeakPolarHBondContact O-CB 3.31Å; L681-A684 PolarHBondContact O-N 2.98Å; L681-A684 VanDerWaalsContact O-N 3.09Å; A682-A684 PolarHBondContact O-N 3.29Å; A684-Y686 PolarHBondContact O-N 3.45Å; A684-H687 PolarHBondContact O-N 3.5Å; A684-Y692 HydrophobicContact CB-CD1 4.23Å; A684-Y692 HydrophobicContact CB-CE1 3.93Å; A684-Y692 VanDerWaalsContact O-CE1 3.23Å; A684-Y692 WeakPolarHBondContact O-CE1 3.46Å; A684-Y692 PolarHBondContact O-OH 2.85Å; A684-Y1092 WeakPolarHBondContact CA-OH 3.31Å
685V95.7Very high93.7Very high9 Ų917.1 Ų17.16%0.0558%0.082CC..Hα-helixtrans-64.6-42.8-179.3-178.80000110.6V643 L681 A682 H687 N688 V713 L719 L720V643-V685 HydrophobicContact CG1-CB 4.1Å; V643-V685 HydrophobicContact CG1-CG1 4.22Å; V643-V685 HydrophobicContact CG2-CB 4.39Å; V643-V685 HydrophobicContact CG2-CG1 3.76Å; L681-V685 HydrophobicContact CD1-CG2 4.34Å; L681-V685 HydrophobicContact CG-CG2 4.34Å; L681-V685 VanDerWaalsContact O-CG2 3.31Å; L681-V685 WeakPolarHBondContact O-CG2 3.1Å; L681-V685 PolarHBondContact O-N 3.32Å; A682-V685 PolarHBondContact O-N 2.79Å; V685-H687 VanDerWaalsContact C-N 3.29Å; V685-H687 PolarHBondContact O-N 3.35Å; V685-N688 PolarHBondContact O-N 2.96Å; V685-V713 HydrophobicContact CG2-CG1 3.42Å; V685-V713 VanDerWaalsContact CG2-CG1 3.42Å; V685-L719 HydrophobicContact CG1-CB 4.25Å; V685-L719 HydrophobicContact CG1-CD1 3.88Å; V685-L720 HydrophobicContact CG1-CD2 4.18Å; V685-L720 HydrophobicContact CG2-CD1 4.21Å; V685-L720 HydrophobicContact CG2-CD2 4.36Å; V685-L720 HydrophobicContact CG2-CG 4.41Å
686Y96.2Very high94Very high6 Ų616.2 Ų16.22%0.0248%0.078CC..Hα-helixtrans-63.9-34.8178.4-166.4-96.3000112.7I629 L630 K633 P634 R636 L639 Y640 V643 A682 R683 A684 N688I629-Y686 HydrophobicContact CG2-CD2 4.44Å; I629-Y686 HydrophobicContact CG2-CG 4.09Å; L630-Y686 HydrophobicContact CD2-CD1 3.95Å; L630-Y686 HydrophobicContact CD2-CE1 3.22Å; L630-Y686 HydrophobicContact CD2-CE2 4.31Å; L630-Y686 VanDerWaalsContact CD2-CZ 3.43Å; K633-Y686 HydrophobicContact CB-CD1 4.12Å; K633-Y686 HydrophobicContact CB-CE1 3.81Å; P634-Y686 PolarHBondContact O-OH 2.92Å; R636-Y686 PolarHBondContact N-OH 3.24Å; L639-Y686 HydrophobicContact CB-CE2 4.21Å; L639-Y686 HydrophobicContact CD2-CD2 4.17Å; L639-Y686 HydrophobicContact CD2-CE2 3.89Å; L639-Y686 HydrophobicContact CG-CD2 4.03Å; L639-Y686 HydrophobicContact CG-CE2 3.84Å; Y640-Y686 HydrophobicContact CD2-CD2 4.28Å; Y640-Y686 HydrophobicContact CD2-CE2 4.06Å; Y640-Y686 HydrophobicContact CG-CE2 4.47Å; V643-Y686 HydrophobicContact CG2-CD2 4.3Å; A682-Y686 WeakPolarHBondContact O-CB 3.11Å; A682-Y686 PolarHBondContact O-N 2.78Å; R683-Y686 PolarHBondContact O-N 2.58Å; A684-Y686 PolarHBondContact O-N 3.45Å; Y686-N688 PolarHBondContact O-N 2.94Å
687H93.6Very high94Very high24 Ų2412.2 Ų12.211%0.1116%0.063CC..Hα-helixtrans-65.1-24.1178.8-155.296.3000113.4S632 K633 R683 A684 V685 T689 Y1092S632-H687 PolarHBondContact OG-CE1 2.66Å; K633-H687 WeakPolarHBondContact CE-NE2 3.39Å; K633-H687 WeakPolarHBondContact CE-O 3.35Å; R683-H687 WeakPolarHBondContact O-CB 3.29Å; R683-H687 PolarHBondContact O-N 2.95Å; A684-H687 PolarHBondContact O-N 3.5Å; V685-H687 VanDerWaalsContact C-N 3.29Å; V685-H687 PolarHBondContact O-N 3.35Å; H687-T689 HydrophobicContact CB-CG2 4.44Å; H687-T689 VanDerWaalsContact CD2-CG2 3.49Å; H687-T689 WeakPolarHBondContact CD2-CG2 3.38Å; H687-Y1092 HydrophobicContact CB-CE1 3.79Å; H687-Y1092 AromaticContact CD2-CD1 3.84Å; H687-Y1092 AromaticContact CD2-CE1 3.82Å; H687-Y1092 AromaticContact CE1-CD1 3.5Å; H687-Y1092 VanDerWaalsContact CE1-CD1 3.5Å; H687-Y1092 WeakPolarHBondContact CE1-CD1 3.25Å; H687-Y1092 AromaticContact CE1-CE1 3.98Å; H687-Y1092 AromaticContact CG-CD1 3.76Å; H687-Y1092 AromaticContact CG-CE1 3.44Å; H687-Y1092 VanDerWaalsContact CG-CE1 3.44Å; H687-Y1092 AromaticContact ND1-CD1 3.57Å; H687-Y1092 AromaticContact ND1-CE1 3.59Å; H687-Y1092 AromaticContact NE2-CD1 3.71Å
688N93.5Very high93.9Very high96 Ų9612.2 Ų12.251%0.5136%0.063SC..THydrogen-bonded Turntrans53.159.2176.9-173.125.4000113.5V685 Y686 Y692 K723V685-N688 PolarHBondContact O-N 2.96Å; Y686-N688 PolarHBondContact O-N 2.94Å; N688-Y692 WeakPolarHBondContact CA-OH 3.39Å; N688-Y692 PolarHBondContact N-OH 3.07Å; N688-K723 WeakPolarHBondContact OD1-CE 3.4Å; N688-K723 PolarHBondContact OD1-NZ 3.47Å
689T93Very high93.2Very high1 Ų114.7 Ų14.71%0.0068%0.083CC..  trans-81.1175.3177.855.10000112.2S610 A612 H687 I691 Y692 K723S610-T689 VanDerWaalsContact OG-CA 3.31Å; S610-T689 WeakPolarHBondContact OG-CA 3.41Å; S610-T689 WeakPolarHBondContact OG-CB 3.34Å; A612-T689 HydrophobicContact CB-CG2 3.82Å; A612-T689 WeakPolarHBondContact CB-OG1 3.28Å; A612-T689 PolarHBondContact N-OG1 3.41Å; H687-T689 HydrophobicContact CB-CG2 4.44Å; H687-T689 VanDerWaalsContact CD2-CG2 3.49Å; H687-T689 WeakPolarHBondContact CD2-CG2 3.38Å; T689-I691 PolarHBondContact OG1-O 3.19Å; T689-Y692 PolarHBondContact N-OH 3.34Å; T689-Y692 WeakPolarHBondContact O-CE2 3.39Å; T689-Y692 VanDerWaalsContact OG1-CE2 3.3Å; T689-Y692 WeakPolarHBondContact OG1-CE2 3.19Å; T689-K723 VanDerWaalsContact O-CD 3.29Å; T689-K723 WeakPolarHBondContact O-CD 3.43Å; T689-K723 VanDerWaalsContact O-CE 3.29Å; T689-K723 WeakPolarHBondContact O-CE 3.45Å; T689-K723 PolarHBondContact O-NZ 3.45Å
690D93.3Very high92.2Very high73 Ų7317 Ų1739%0.3910%0.103SC..SBendtrans-84.8-35.1177.7-54.1-56.5000111.7G609 S610 T724G609-D690 WeakPolarHBondContact CA-OD2 3.32Å; S610-D690 PolarHBondContact N-OD2 2.9Å; S610-D690 PolarHBondContact O-N 3Å; S610-D690 VanDerWaalsContact O-N 3.16Å; S610-D690 PolarHBondContact OG-N 2.91Å; S610-D690 VanDerWaalsContact OG-N 3.08Å; S610-D690 PolarHBondContact OG-OD2 3.25Å; D690-T724 PolarHBondContact O-N 3.11Å; D690-T724 VanDerWaalsContact O-N 3.1Å
691I94.9Very high91.3Very high1 Ų117.4 Ų17.41%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-123.6136.4-177.3-60.5164.7000109.4A545 V546 I607 K608 S610 V611 A612 T689 L693 T724A545-I691 HydrophobicContact CB-CD1 4.27Å; A545-I691 HydrophobicContact CB-CG1 4.34Å; V546-I691 HydrophobicContact CG2-CD1 3.95Å; V546-I691 HydrophobicContact CG2-CG2 4.13Å; I607-I691 HydrophobicContact CG2-CD1 3.55Å; K608-I691 WeakPolarHBondContact O-CD1 3.32Å; S610-I691 PolarHBondContact O-N 3.01Å; V611-I691 CarbonylContact C-O 3.51Å; V611-I691 WeakPolarHBondContact CA-O 3.45Å; V611-I691 HydrophobicContact CG2-CB 4.3Å; V611-I691 HydrophobicContact CG2-CD1 4.49Å; A612-I691 PolarHBondContact N-O 3.31Å; T689-I691 PolarHBondContact OG1-O 3.19Å; I691-L693 HydrophobicContact CG2-CD2 4.01Å; I691-L693 HydrophobicContact CG2-CG 4.41Å; I691-T724 CarbonylContact C-O 3.43Å; I691-T724 WeakPolarHBondContact CA-O 3.42Å
692Y96.9Very high90Very high0 Ų022.9 Ų22.90%013%0.134CC..EExtended strand (participates in β ladder)trans-118.7119.5176-75.3-99.6000109.6A612 A684 N688 T689 L720 K723 T724 I726A612-Y692 HydrophobicContact CB-CD1 3.98Å; A612-Y692 HydrophobicContact CB-CE1 3.94Å; A684-Y692 HydrophobicContact CB-CD1 4.23Å; A684-Y692 HydrophobicContact CB-CE1 3.93Å; A684-Y692 VanDerWaalsContact O-CE1 3.23Å; A684-Y692 WeakPolarHBondContact O-CE1 3.46Å; A684-Y692 PolarHBondContact O-OH 2.85Å; N688-Y692 WeakPolarHBondContact CA-OH 3.39Å; N688-Y692 PolarHBondContact N-OH 3.07Å; T689-Y692 PolarHBondContact N-OH 3.34Å; T689-Y692 WeakPolarHBondContact O-CE2 3.39Å; T689-Y692 VanDerWaalsContact OG1-CE2 3.3Å; T689-Y692 WeakPolarHBondContact OG1-CE2 3.19Å; Y692-L720 HydrophobicContact CD1-CD1 3.65Å; Y692-L720 HydrophobicContact CD1-CD2 4.44Å; Y692-L720 HydrophobicContact CD2-CD1 4.22Å; Y692-L720 HydrophobicContact CD2-CD2 4.27Å; Y692-L720 HydrophobicContact CE1-CD1 3.79Å; Y692-L720 HydrophobicContact CE1-CD2 3.83Å; Y692-L720 HydrophobicContact CE1-CG 4.49Å; Y692-L720 HydrophobicContact CE2-CD1 4.37Å; Y692-L720 HydrophobicContact CE2-CD2 3.66Å; Y692-L720 HydrophobicContact CG-CD1 3.89Å; Y692-L720 VanDerWaalsContact CZ-CD2 3.43Å; Y692-K723 HydrophobicContact CD2-CB 3.98Å; Y692-K723 HydrophobicContact CD2-CG 4.46Å; Y692-K723 HydrophobicContact CE2-CB 4.06Å; Y692-K723 HydrophobicContact CE2-CG 4.03Å; Y692-T724 PolarHBondContact N-O 2.92Å; Y692-I726 PolarHBondContact O-N 3.48Å
693L96.5Very high88.7Confident0 Ų025.3 Ų25.30%015%0.151CC..EExtended strand (participates in β ladder)trans-104.5110.5172.1-56.6-177.2000107.7L591 I594 L595 V611 A612 Y613 V614 I691 I726L591-L693 HydrophobicContact CD2-CB 4.4Å; L591-L693 HydrophobicContact CD2-CD2 4.26Å; I594-L693 HydrophobicContact CB-CD1 4.43Å; I594-L693 HydrophobicContact CG2-CD1 3.88Å; I594-L693 HydrophobicContact CG2-CD2 4.22Å; L595-L693 HydrophobicContact CD1-CD1 4.41Å; L595-L693 HydrophobicContact CD2-CD1 3.64Å; L595-L693 HydrophobicContact CG-CD1 3.66Å; V611-L693 HydrophobicContact CG1-CD1 3.78Å; V611-L693 HydrophobicContact CG1-CG 3.91Å; A612-L693 PolarHBondContact O-N 3.16Å; Y613-L693 WeakPolarHBondContact CA-O 3.23Å; Y613-L693 HydrophobicContact CD2-CB 3.91Å; Y613-L693 WeakPolarHBondContact CD2-O 3.49Å; V614-L693 PolarHBondContact N-O 2.83Å; I691-L693 HydrophobicContact CG2-CD2 4.01Å; I691-L693 HydrophobicContact CG2-CG 4.41Å; L693-I726 HydrophobicContact CD2-CB 3.88Å; L693-I726 HydrophobicContact CD2-CD1 3.7Å; L693-I726 HydrophobicContact CD2-CG1 4.04Å
694L95.9Very high87.3Confident0 Ų032.1 Ų32.10%018%0.183CC..EExtended strand (participates in β ladder)trans-113.5103.5-173-58.6177.9000108.6V614 L681 D696 P697 I714 I726 F727 V728V614-L694 HydrophobicContact CB-CD2 3.75Å; V614-L694 HydrophobicContact CG2-CD2 3.54Å; L681-L694 HydrophobicContact CD1-CD2 4.07Å; L694-D696 PolarHBondContact O-N 2.72Å; L694-P697 HydrophobicContact CB-CG 3.97Å; L694-I714 HydrophobicContact CD1-CD1 3.87Å; L694-I714 HydrophobicContact CD1-CG1 3.86Å; L694-I714 HydrophobicContact CD1-CG2 3.98Å; L694-I726 PolarHBondContact N-O 3.08Å; L694-F727 HydrophobicContact CB-CD2 4.04Å; L694-F727 HydrophobicContact CD1-CD2 4.16Å; L694-V728 PolarHBondContact O-N 3.32Å
695D94Very high86.5Confident4 Ų433.4 Ų33.42%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-91.488.9-179-16830.7000109.8T588 L591 Y613 V614 P615 Q616T588-D695 WeakPolarHBondContact CG2-OD2 3.38Å; T588-D695 PolarHBondContact OG1-OD1 3.1Å; T588-D695 PolarHBondContact OG1-OD2 2.99Å; L591-D695 HydrophobicContact CD1-CB 3.56Å; Y613-D695 HydrophobicContact CE2-CB 4.06Å; V614-D695 WeakPolarHBondContact O-CB 3.26Å; V614-D695 PolarHBondContact O-N 2.91Å; P615-D695 CarbonylContact C-O 3.51Å; Q616-D695 WeakPolarHBondContact CA-O 3.3Å; Q616-D695 WeakPolarHBondContact CB-O 3.04Å; Q616-D695 PolarHBondContact N-O 2.84Å; Q616-D695 VanDerWaalsContact N-O 3.12Å
696D89.4Confident85.9Confident6 Ų633 Ų333%0.03219%0.188CC..SBendtrans47.552.6178.9-16539.1000114.5Q616 L694 L698 S699 V728 T729 H730Q616-D696 HydrophobicContact CG-CB 4.32Å; L694-D696 PolarHBondContact O-N 2.72Å; D696-L698 PolarHBondContact O-N 3.11Å; D696-L698 VanDerWaalsContact O-N 3.08Å; D696-S699 PolarHBondContact O-OG 3.27Å; D696-S699 VanDerWaalsContact O-OG 3.11Å; D696-S699 WeakPolarHBondContact OD2-CB 3.38Å; D696-S699 PolarHBondContact OD2-OG 2.99Å; D696-V728 WeakPolarHBondContact CA-O 3.08Å; D696-V728 HydrophobicContact CB-CG1 4.39Å; D696-V728 PolarHBondContact N-O 3.45Å; D696-T729 WeakPolarHBondContact OD1-CA 3.3Å; D696-H730 PolarHBondContact OD1-N 2.84Å; D696-H730 IonicContact OD2-CD2 2.78Å
697P89.6Confident85.2Confident2 Ų236.1 Ų36.11%0.01321%0.205CC..THydrogen-bonded Turntrans-73.9-0.7-171.535.7-42.7000114.6V614 Q677 L694 I714 F727V614-P697 HydrophobicContact CG1-CB 3.87Å; Q677-P697 HydrophobicContact CG-CB 4.49Å; Q677-P697 WeakPolarHBondContact CG-O 2.97Å; L694-P697 HydrophobicContact CB-CG 3.97Å; P697-I714 HydrophobicContact CG-CD1 4.34Å; P697-F727 HydrophobicContact CG-CD2 4.18Å; P697-F727 HydrophobicContact CG-CE2 3.8Å
698L87Confident84.9Confident7 Ų738 Ų384%0.03721%0.213CC..THydrogen-bonded Turntrans-110.1-7.2-175.5-55.7-176.7000113.3D696 A700 V701 I709 F710 I714 F727 Y734D696-L698 PolarHBondContact O-N 3.11Å; D696-L698 VanDerWaalsContact O-N 3.08Å; L698-A700 VanDerWaalsContact C-N 3.33Å; L698-A700 PolarHBondContact O-N 2.8Å; L698-V701 PolarHBondContact O-N 3.17Å; L698-I709 HydrophobicContact CD2-CB 4.14Å; L698-I709 HydrophobicContact CD2-CG2 3.76Å; L698-F710 HydrophobicContact CD1-CB 4.2Å; L698-F710 HydrophobicContact CD1-CD2 4.42Å; L698-I714 HydrophobicContact CD2-CD1 4.47Å; L698-F727 HydrophobicContact CD1-CE2 4.2Å; L698-F727 HydrophobicContact CD1-CZ 3.82Å; L698-F727 HydrophobicContact CG-CE2 4.28Å; L698-F727 HydrophobicContact CG-CZ 4.3Å; L698-Y734 HydrophobicContact CD1-CD1 4.28Å; L698-Y734 HydrophobicContact CD1-CD2 4.31Å; L698-Y734 HydrophobicContact CD1-CE1 3.8Å; L698-Y734 HydrophobicContact CD1-CE2 3.87Å
699S78.3Confident84.7Confident71 Ų7133.4 Ų33.450%0.49719%0.189SC..THydrogen-bonded Turntrans-69.8-25.5-175.447.80000114.8D696 V701D696-S699 PolarHBondContact O-OG 3.27Å; D696-S699 VanDerWaalsContact O-OG 3.11Å; D696-S699 WeakPolarHBondContact OD2-CB 3.38Å; D696-S699 PolarHBondContact OD2-OG 2.99Å; S699-V701 VanDerWaalsContact C-N 3.33Å
700A72.8Confident84.7Confident49 Ų4933.5 Ų33.541%0.40519%0.189SC..THydrogen-bonded Turntrans-90.4617600000113.6G674 L698G674-A700 WeakPolarHBondContact CA-O 3.26Å; G674-A700 PolarHBondContact N-O 3.33Å; G674-A700 VanDerWaalsContact N-O 3.12Å; L698-A700 VanDerWaalsContact C-N 3.33Å; L698-A700 PolarHBondContact O-N 2.8Å
701V74Confident84.5Confident13 Ų1334.4 Ų34.48%0.07919%0.191CC..SBendtrans-119137.1-171.7-179.30000109Q677 L698 S699 V705 I709Q677-V701 HydrophobicContact CB-CG2 4.29Å; L698-V701 PolarHBondContact O-N 3.17Å; S699-V701 VanDerWaalsContact C-N 3.33Å; V701-V705 HydrophobicContact CG1-CB 3.54Å; V701-V705 HydrophobicContact CG1-CG1 3.47Å; V701-V705 VanDerWaalsContact CG1-CG1 3.47Å; V701-I709 HydrophobicContact CG1-CD1 4.22Å
702D68.8Low84.4Confident116 Ų11637.5 Ų37.562%0.6221%0.208SC*.  trans-53.1142.6177.5-45.3-54000111.4H704 V705 G706D702-H704 VanDerWaalsContact C-N 3.33Å; D702-H704 PolarHBondContact O-N 3.25Å; D702-V705 HydrophobicContact CB-CG2 4.44Å; D702-V705 CarbonylContact O-C 3.41Å; D702-V705 PolarHBondContact O-N 3.45Å; D702-G706 PolarHBondContact O-N 3.44Å
703S68.3Low84.2Confident52 Ų5237.5 Ų37.536%0.36421%0.208SC..Hα-helixtrans-51.6-45.3-172.559.10000113.7V705 G706 L707 S784S703-V705 PolarHBondContact O-N 3.38Å; S703-G706 PolarHBondContact O-N 3.47Å; S703-L707 PolarHBondContact O-N 3.29Å; S703-S784 PolarHBondContact OG-OG 2.89Å
704H67.4Low84.1Confident145 Ų14537.5 Ų37.567%0.67121%0.208SC*.Hα-helixtrans-59.7-45.3175.6167.7-91.5000112.9D702 G706 L707 H708D702-H704 VanDerWaalsContact C-N 3.33Å; D702-H704 PolarHBondContact O-N 3.25Å; H704-G706 VanDerWaalsContact C-N 3.33Å; H704-L707 PolarHBondContact O-N 3.02Å; H704-H708 PolarHBondContact O-N 3.46Å; H704-H708 VanDerWaalsContact O-N 3.12Å
705V78Confident83.8Confident27 Ų2737.7 Ų37.716%0.16421%0.21CC..Hα-helixtrans-70.3-35.5178.9-178.60000110.1A648 V701 D702 S703 H708 I709A648-V705 HydrophobicContact CB-CG1 3.84Å; V701-V705 HydrophobicContact CG1-CB 3.54Å; V701-V705 HydrophobicContact CG1-CG1 3.47Å; V701-V705 VanDerWaalsContact CG1-CG1 3.47Å; D702-V705 HydrophobicContact CB-CG2 4.44Å; D702-V705 CarbonylContact O-C 3.41Å; D702-V705 PolarHBondContact O-N 3.45Å; S703-V705 PolarHBondContact O-N 3.38Å; V705-H708 PolarHBondContact O-N 3.04Å; V705-I709 HydrophobicContact CG1-CD1 3.89Å; V705-I709 HydrophobicContact CG1-CG1 4.37Å; V705-I709 WeakPolarHBondContact O-CB 3.43Å; V705-I709 VanDerWaalsContact O-CG1 3.27Å; V705-I709 WeakPolarHBondContact O-CG1 3.45Å; V705-I709 PolarHBondContact O-N 3.2Å
706G82.5Confident83.5Confident0 Ų040.7 Ų40.70%023%0.226CC..Hα-helixtrans-57.6-47.8172.800000112.5D702 S703 H704 I709 F710D702-G706 PolarHBondContact O-N 3.44Å; S703-G706 PolarHBondContact O-N 3.47Å; H704-G706 VanDerWaalsContact C-N 3.33Å; G706-I709 PolarHBondContact O-N 2.64Å; G706-F710 WeakPolarHBondContact O-CB 3.29Å; G706-F710 PolarHBondContact O-N 2.95Å
707L82.5Confident83.3Confident71 Ų7147.9 Ų47.937%0.37226%0.264SS..Hα-helixtrans-60.4-47.8174.4-75168.4000112.2S703 H704 I709 F710 E711 Y734S703-L707 PolarHBondContact O-N 3.29Å; H704-L707 PolarHBondContact O-N 3.02Å; L707-I709 VanDerWaalsContact C-N 3.35Å; L707-I709 PolarHBondContact O-N 3.46Å; L707-F710 PolarHBondContact O-N 3.05Å; L707-E711 WeakPolarHBondContact O-CG 3.08Å; L707-E711 PolarHBondContact O-N 3.23Å; L707-Y734 HydrophobicContact CD2-CD1 4.39Å; L707-Y734 HydrophobicContact CD2-CE1 3.91Å; L707-Y734 HydrophobicContact CG-CE1 4.35Å
708H85.8Confident83.3Confident63 Ų6348 Ų4829%0.29227%0.266SS..Hα-helixtrans-58.2-45.8177.3174.1-76.5000112.1K645 A646 H704 V705 E711 N712K645-H708 PolarHBondContact O-CE1 3.42Å; A646-H708 PolarHBondContact O-CE1 2.86Å; H704-H708 PolarHBondContact O-N 3.46Å; H704-H708 VanDerWaalsContact O-N 3.12Å; V705-H708 PolarHBondContact O-N 3.04Å; H708-E711 PolarHBondContact O-N 2.68Å; H708-N712 PolarHBondContact CD2-ND2 3.33Å; H708-N712 VanDerWaalsContact CD2-ND2 3.32Å; H708-N712 PolarHBondContact CE1-ND2 3.16Å; H708-N712 PolarHBondContact NE2-ND2 3.27Å; H708-N712 WeakPolarHBondContact O-CB 3.33Å; H708-N712 PolarHBondContact O-N 3.43Å; H708-N712 PolarHBondContact O-ND2 3.03Å
709I90.8Very high83.5Confident1 Ų150.3 Ų50.31%0.00528%0.278CS..Hα-helixtrans-63.9-44.3177.8-70.9169.9000110.2A648 R678 L681 L698 V701 V705 G706 L707 E711 V713 I714A648-I709 HydrophobicContact CB-CG1 4.44Å; R678-I709 HydrophobicContact CG-CD1 3.78Å; L681-I709 HydrophobicContact CD2-CG2 3.28Å; L698-I709 HydrophobicContact CD2-CB 4.14Å; L698-I709 HydrophobicContact CD2-CG2 3.76Å; V701-I709 HydrophobicContact CG1-CD1 4.22Å; V705-I709 HydrophobicContact CG1-CD1 3.89Å; V705-I709 HydrophobicContact CG1-CG1 4.37Å; V705-I709 WeakPolarHBondContact O-CB 3.43Å; V705-I709 VanDerWaalsContact O-CG1 3.27Å; V705-I709 WeakPolarHBondContact O-CG1 3.45Å; V705-I709 PolarHBondContact O-N 3.2Å; G706-I709 PolarHBondContact O-N 2.64Å; L707-I709 VanDerWaalsContact C-N 3.35Å; L707-I709 PolarHBondContact O-N 3.46Å; I709-E711 PolarHBondContact O-N 3.42Å; I709-V713 HydrophobicContact CG2-CB 4.34Å; I709-V713 HydrophobicContact CG2-CG2 4.3Å; I709-V713 WeakPolarHBondContact O-CA 3.32Å; I709-V713 WeakPolarHBondContact O-CB 3.41Å; I709-V713 PolarHBondContact O-N 3.39Å; I709-I714 HydrophobicContact CG2-CD1 4.49Å; I709-I714 PolarHBondContact O-N 2.94Å
710F91.1Very high84.3Confident2 Ų247.1 Ų47.11%0.00926%0.255CS..Iπ-helixtrans-58.3-49.1178-174.4-88000110.4L576 L698 G706 L707 I714 G715 F727 Y734 K737 V738L576-F710 HydrophobicContact CD2-CZ 4.23Å; L698-F710 HydrophobicContact CD1-CB 4.2Å; L698-F710 HydrophobicContact CD1-CD2 4.42Å; G706-F710 WeakPolarHBondContact O-CB 3.29Å; G706-F710 PolarHBondContact O-N 2.95Å; L707-F710 PolarHBondContact O-N 3.05Å; F710-I714 HydrophobicContact CD2-CB 4.15Å; F710-I714 HydrophobicContact CD2-CG2 4.17Å; F710-I714 HydrophobicContact CE2-CB 4.48Å; F710-I714 HydrophobicContact CE2-CG2 4.07Å; F710-I714 PolarHBondContact O-N 3.31Å; F710-I714 VanDerWaalsContact O-N 3.14Å; F710-G715 WeakPolarHBondContact O-CA 3.38Å; F710-G715 PolarHBondContact O-N 3Å; F710-F727 HydrophobicContact CD2-CE1 4.12Å; F710-F727 HydrophobicContact CD2-CZ 4.22Å; F710-F727 HydrophobicContact CE2-CD1 4.17Å; F710-F727 AromaticContact CE2-CE1 3.84Å; F710-F727 HydrophobicContact CE2-CE1 3.84Å; F710-F727 HydrophobicContact CE2-CZ 4.39Å; F710-Y734 HydrophobicContact CB-CD1 3.78Å; F710-Y734 HydrophobicContact CB-CE1 3.9Å; F710-Y734 HydrophobicContact CD1-CD1 4.15Å; F710-Y734 AromaticContact CD2-CD1 3.67Å; F710-Y734 HydrophobicContact CD2-CD1 3.67Å; F710-Y734 HydrophobicContact CD2-CE1 4.49Å; F710-Y734 AromaticContact CD2-CG 4Å; F710-Y734 HydrophobicContact CD2-CG 4Å; F710-Y734 HydrophobicContact CE2-CD1 4.31Å; F710-Y734 HydrophobicContact CE2-CG 4.31Å; F710-Y734 AromaticContact CG-CD1 3.57Å; F710-Y734 HydrophobicContact CG-CD1 3.57Å; F710-Y734 HydrophobicContact CG-CE1 4.22Å; F710-Y734 HydrophobicContact CG-CG 4.34Å; F710-K737 HydrophobicContact CD1-CD 4.2Å; F710-K737 HydrophobicContact CE1-CB 3.54Å; F710-K737 HydrophobicContact CE1-CD 3.82Å; F710-K737 HydrophobicContact CE1-CG 4.29Å; F710-K737 HydrophobicContact CZ-CB 3.97Å; F710-V738 HydrophobicContact CE2-CG2 4.5Å; F710-V738 HydrophobicContact CZ-CG2 4.13Å
711E90Very high85.2Confident92 Ų9249.9 Ų49.943%0.4326%0.258SS..Iπ-helixtrans-68.5-41.2-177.4-68.8-176.6163.200113.8L707 H708 I709 G718 K737L707-E711 WeakPolarHBondContact O-CG 3.08Å; L707-E711 PolarHBondContact O-N 3.23Å; H708-E711 PolarHBondContact O-N 2.68Å; I709-E711 PolarHBondContact O-N 3.42Å; E711-G718 WeakPolarHBondContact O-CA 3.48Å; E711-G718 PolarHBondContact O-N 3.31Å; E711-K737 IonicContact OE1-NZ 2.64Å; E711-K737 PolarHBondContact OE1-NZ 3.09Å
712N92.4Very high86Confident66 Ų6655.3 Ų55.335%0.35329%0.287SS..Iπ-helixtrans-90.5-16.5-173.6-68.3-65.8000114A646 H708 G718 L719A646-N712 HydrophobicContact CB-CB 4.21Å; H708-N712 PolarHBondContact CD2-ND2 3.33Å; H708-N712 VanDerWaalsContact CD2-ND2 3.32Å; H708-N712 PolarHBondContact CE1-ND2 3.16Å; H708-N712 PolarHBondContact NE2-ND2 3.27Å; H708-N712 WeakPolarHBondContact O-CB 3.33Å; H708-N712 PolarHBondContact O-N 3.43Å; H708-N712 PolarHBondContact O-ND2 3.03Å; N712-G718 CarbonylContact O-C 3.6Å; N712-G718 WeakPolarHBondContact O-CA 3.22Å; N712-L719 PolarHBondContact O-N 2.95Å
713V94.2Very high87.2Confident0 Ų051.7 Ų51.70%027%0.266CS..Iπ-helixtrans-118.2-60.3-177.5-175.20000111.7A646 L681 V685 I709 L720A646-V713 HydrophobicContact CB-CG2 3.72Å; A646-V713 WeakPolarHBondContact O-CG2 3.46Å; L681-V713 HydrophobicContact CD1-CG1 4.41Å; L681-V713 HydrophobicContact CD2-CG1 4.31Å; L681-V713 HydrophobicContact CG-CG1 4.42Å; V685-V713 HydrophobicContact CG2-CG1 3.42Å; V685-V713 VanDerWaalsContact CG2-CG1 3.42Å; I709-V713 HydrophobicContact CG2-CB 4.34Å; I709-V713 HydrophobicContact CG2-CG2 4.3Å; I709-V713 WeakPolarHBondContact O-CA 3.32Å; I709-V713 WeakPolarHBondContact O-CB 3.41Å; I709-V713 PolarHBondContact O-N 3.39Å; V713-L720 HydrophobicContact CG1-CD1 4.01Å; V713-L720 HydrophobicContact CG1-CG 4.19Å; V713-L720 VanDerWaalsContact O-CB 3.26Å; V713-L720 WeakPolarHBondContact O-CB 3.17Å; V713-L720 WeakPolarHBondContact O-CG 3.43Å; V713-L720 PolarHBondContact O-N 3.47Å; V713-L720 VanDerWaalsContact O-N 3.08Å
714I93.4Very high88.5Confident0 Ų049.4 Ų49.40%025%0.25CC..Iπ-helixtrans-88-44-164.5-59172.1000112L576 L694 P697 L698 I709 F710 R725 F727L576-I714 HydrophobicContact CD1-CG2 3.83Å; L694-I714 HydrophobicContact CD1-CD1 3.87Å; L694-I714 HydrophobicContact CD1-CG1 3.86Å; L694-I714 HydrophobicContact CD1-CG2 3.98Å; P697-I714 HydrophobicContact CG-CD1 4.34Å; L698-I714 HydrophobicContact CD2-CD1 4.47Å; I709-I714 HydrophobicContact CG2-CD1 4.49Å; I709-I714 PolarHBondContact O-N 2.94Å; F710-I714 HydrophobicContact CD2-CB 4.15Å; F710-I714 HydrophobicContact CD2-CG2 4.17Å; F710-I714 HydrophobicContact CE2-CB 4.48Å; F710-I714 HydrophobicContact CE2-CG2 4.07Å; F710-I714 PolarHBondContact O-N 3.31Å; F710-I714 VanDerWaalsContact O-N 3.14Å; I714-R725 WeakPolarHBondContact O-CD 3.49Å; I714-R725 PolarHBondContact O-NH1 2.99Å; I714-F727 HydrophobicContact CD1-CD2 4.26Å; I714-F727 HydrophobicContact CD1-CE2 4Å; I714-F727 HydrophobicContact CG2-CD2 4.49Å; I714-F727 HydrophobicContact CG2-CG 4.48Å
715G89.7Confident89.9Confident4 Ų442.6 Ų42.64%0.04122%0.218CC..SBendtrans-66.1173.3-174.600000113.4F710 N717 G718 R725F710-G715 WeakPolarHBondContact O-CA 3.38Å; F710-G715 PolarHBondContact O-N 3Å; G715-N717 PolarHBondContact O-N 3.19Å; G715-N717 VanDerWaalsContact O-N 3.13Å; G715-G718 PolarHBondContact O-N 3.3Å; G715-R725 PolarHBondContact O-NH1 3.41Å
716N87.6Confident90.8Very high68 Ų6841.4 Ų41.436%0.36421%0.211SC..THydrogen-bonded Turntrans-67.4-14.3-172.9-71-14.6000114.9K721 R725 D739N716-K721 WeakPolarHBondContact O-CB 3.32Å; N716-R725 PolarHBondContact OD1-NH1 3.28Å; N716-R725 PolarHBondContact OD1-NH2 3.43Å; N716-D739 PolarHBondContact ND2-OD1 3.44Å
717N85.8Confident91.4Very high157 Ų15741.4 Ų41.484%0.8421%0.211SC*.THydrogen-bonded Turntrans-98.9-1.5172.3-65.8-22.7000113.2G715G715-N717 PolarHBondContact O-N 3.19Å; G715-N717 VanDerWaalsContact O-N 3.13Å
718G89.2Confident91.9Very high5 Ų538 Ų385%0.05219%0.193CC..SBendtrans-83.3-179.8-174.300000114.6E711 N712 G715 L720 K721E711-G718 WeakPolarHBondContact O-CA 3.48Å; E711-G718 PolarHBondContact O-N 3.31Å; N712-G718 CarbonylContact O-C 3.6Å; N712-G718 WeakPolarHBondContact O-CA 3.22Å; G715-G718 PolarHBondContact O-N 3.3Å; G718-L720 PolarHBondContact O-N 2.79Å; G718-K721 WeakPolarHBondContact O-CB 3.47Å; G718-K721 WeakPolarHBondContact O-CG 3.5Å; G718-K721 PolarHBondContact O-N 3.39Å
719L92Very high92Very high54 Ų5435.2 Ų35.228%0.28318%0.18SC..THydrogen-bonded Turntrans-60.7-27.2177.5-67.1-178000113.8K642 V643 A646 V685 N712K642-L719 HydrophobicContact CD-CD2 3.88Å; K642-L719 VanDerWaalsContact CE-CD2 3.4Å; K642-L719 HydrophobicContact CG-CD2 4Å; V643-L719 HydrophobicContact CG2-CD1 4.33Å; A646-L719 HydrophobicContact CB-CD1 3.41Å; A646-L719 VanDerWaalsContact CB-CD1 3.41Å; A646-L719 HydrophobicContact CB-CG 3.96Å; V685-L719 HydrophobicContact CG1-CB 4.25Å; V685-L719 HydrophobicContact CG1-CD1 3.88Å; N712-L719 PolarHBondContact O-N 2.95Å
720L93.8Very high91.3Very high4 Ų438.8 Ų38.82%0.02120%0.197CC..THydrogen-bonded Turntrans-97.112.5-177.1-57-177.9000113.4V685 Y692 V713 G718 D722 K723 R725V685-L720 HydrophobicContact CG1-CD2 4.18Å; V685-L720 HydrophobicContact CG2-CD1 4.21Å; V685-L720 HydrophobicContact CG2-CD2 4.36Å; V685-L720 HydrophobicContact CG2-CG 4.41Å; Y692-L720 HydrophobicContact CD1-CD1 3.65Å; Y692-L720 HydrophobicContact CD1-CD2 4.44Å; Y692-L720 HydrophobicContact CD2-CD1 4.22Å; Y692-L720 HydrophobicContact CD2-CD2 4.27Å; Y692-L720 HydrophobicContact CE1-CD1 3.79Å; Y692-L720 HydrophobicContact CE1-CD2 3.83Å; Y692-L720 HydrophobicContact CE1-CG 4.49Å; Y692-L720 HydrophobicContact CE2-CD1 4.37Å; Y692-L720 HydrophobicContact CE2-CD2 3.66Å; Y692-L720 HydrophobicContact CG-CD1 3.89Å; Y692-L720 VanDerWaalsContact CZ-CD2 3.43Å; V713-L720 HydrophobicContact CG1-CD1 4.01Å; V713-L720 HydrophobicContact CG1-CG 4.19Å; V713-L720 VanDerWaalsContact O-CB 3.26Å; V713-L720 WeakPolarHBondContact O-CB 3.17Å; V713-L720 WeakPolarHBondContact O-CG 3.43Å; V713-L720 PolarHBondContact O-N 3.47Å; V713-L720 VanDerWaalsContact O-N 3.08Å; G718-L720 PolarHBondContact O-N 2.79Å; L720-D722 PolarHBondContact O-N 3.38Å; L720-D722 VanDerWaalsContact O-N 3.1Å; L720-K723 HydrophobicContact CB-CB 4.44Å; L720-K723 HydrophobicContact CD2-CG 4.44Å; L720-K723 WeakPolarHBondContact O-CB 3.15Å; L720-K723 PolarHBondContact O-N 3.46Å; L720-R725 HydrophobicContact CB-CG 4.2Å; L720-R725 WeakPolarHBondContact O-CD 3.45Å; L720-R725 PolarHBondContact O-NE 3.5Å; L720-R725 VanDerWaalsContact O-NE 3.11Å
721K91.1Very high90.5Very high107 Ų10739.6 Ų39.647%0.46521%0.206SC..THydrogen-bonded Turntrans-53.7-33.4-174.567176.7-170.5170.70115.3N716 G718 K723 R725N716-K721 WeakPolarHBondContact O-CB 3.32Å; G718-K721 WeakPolarHBondContact O-CB 3.47Å; G718-K721 WeakPolarHBondContact O-CG 3.5Å; G718-K721 PolarHBondContact O-N 3.39Å; K721-K723 VanDerWaalsContact C-N 3.3Å; K721-R725 PolarHBondContact O-NH2 3.45Å
722D91.9Very high89.6Confident127 Ų12735.7 Ų35.768%0.67919%0.188SC*.THydrogen-bonded Turntrans-917.4-178-55.4-51.1000112.3L720L720-D722 PolarHBondContact O-N 3.38Å; L720-D722 VanDerWaalsContact O-N 3.1Å
723K94.1Very high88.7Confident40 Ų4033.7 Ų33.717%0.17418%0.183CC..SBendtrans-112.8153.4-173.9-54.3-58.9-168.4149.10111.3G574 N688 T689 Y692 L720 K721 R725G574-K723 CarbonylContact C-O 3.54Å; N688-K723 WeakPolarHBondContact OD1-CE 3.4Å; N688-K723 PolarHBondContact OD1-NZ 3.47Å; T689-K723 VanDerWaalsContact O-CD 3.29Å; T689-K723 WeakPolarHBondContact O-CD 3.43Å; T689-K723 VanDerWaalsContact O-CE 3.29Å; T689-K723 WeakPolarHBondContact O-CE 3.45Å; T689-K723 PolarHBondContact O-NZ 3.45Å; Y692-K723 HydrophobicContact CD2-CB 3.98Å; Y692-K723 HydrophobicContact CD2-CG 4.46Å; Y692-K723 HydrophobicContact CE2-CB 4.06Å; Y692-K723 HydrophobicContact CE2-CG 4.03Å; L720-K723 HydrophobicContact CB-CB 4.44Å; L720-K723 HydrophobicContact CD2-CG 4.44Å; L720-K723 WeakPolarHBondContact O-CB 3.15Å; L720-K723 PolarHBondContact O-N 3.46Å; K721-K723 VanDerWaalsContact C-N 3.3Å; K723-R725 PolarHBondContact O-NE 3.41Å
724T95.7Very high88.2Confident5 Ų534.8 Ų34.83%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-76.3127.5171.7-65.20000109.5A545 V571 N572 P573 G574 D690 I691 Y692A545-T724 HydrophobicContact CB-CG2 4.01Å; A545-T724 WeakPolarHBondContact CB-OG1 3.43Å; V571-T724 HydrophobicContact CG1-CG2 3.51Å; N572-T724 PolarHBondContact O-OG1 3.41Å; P573-T724 VanDerWaalsContact CA-OG1 3.29Å; P573-T724 WeakPolarHBondContact CA-OG1 3.41Å; G574-T724 PolarHBondContact N-OG1 2.94Å; D690-T724 PolarHBondContact O-N 3.11Å; D690-T724 VanDerWaalsContact O-N 3.1Å; I691-T724 CarbonylContact C-O 3.43Å; I691-T724 WeakPolarHBondContact CA-O 3.42Å; Y692-T724 PolarHBondContact N-O 2.92Å
725R96.6Very high87.8Confident2 Ų234.8 Ų34.81%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-129.3117.2-174-65.9150.6-77.1164.12.3109.3G574 E575 L576 V577 I714 G715 N716 L720 K721 K723G574-R725 PolarHBondContact O-NH2 3.04Å; E575-R725 PolarHBondContact O-N 3.06Å; L576-R725 WeakPolarHBondContact CA-O 3.35Å; L576-R725 HydrophobicContact CD1-CB 3.54Å; L576-R725 HydrophobicContact CD1-CG 4.5Å; V577-R725 PolarHBondContact N-O 3.19Å; I714-R725 WeakPolarHBondContact O-CD 3.49Å; I714-R725 PolarHBondContact O-NH1 2.99Å; G715-R725 PolarHBondContact O-NH1 3.41Å; N716-R725 PolarHBondContact OD1-NH1 3.28Å; N716-R725 PolarHBondContact OD1-NH2 3.43Å; L720-R725 HydrophobicContact CB-CG 4.2Å; L720-R725 WeakPolarHBondContact O-CD 3.45Å; L720-R725 PolarHBondContact O-NE 3.5Å; L720-R725 VanDerWaalsContact O-NE 3.11Å; K721-R725 PolarHBondContact O-NH2 3.45Å; K723-R725 PolarHBondContact O-NE 3.41Å
726I96.4Very high87.5Confident1 Ų137 Ų371%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-106.2113.5171.8-56.9-175.4000107.2V546 V571 V577 I579 L591 I594 Y692 L693 L694V546-I726 HydrophobicContact CB-CD1 4.35Å; V546-I726 HydrophobicContact CG1-CD1 4.43Å; V546-I726 HydrophobicContact CG2-CD1 4.09Å; V571-I726 HydrophobicContact CG2-CD1 4.05Å; V571-I726 HydrophobicContact CG2-CG1 4.46Å; V577-I726 CarbonylContact O-C 3.57Å; V577-I726 WeakPolarHBondContact O-CA 3.4Å; I579-I726 HydrophobicContact CD1-CG2 3.31Å; I579-I726 HydrophobicContact CG1-CG2 4.11Å; L591-I726 HydrophobicContact CD2-CB 4.43Å; L591-I726 HydrophobicContact CD2-CG2 3.69Å; I594-I726 HydrophobicContact CD1-CD1 4.02Å; Y692-I726 PolarHBondContact O-N 3.48Å; L693-I726 HydrophobicContact CD2-CB 3.88Å; L693-I726 HydrophobicContact CD2-CD1 3.7Å; L693-I726 HydrophobicContact CD2-CG1 4.04Å; L694-I726 PolarHBondContact N-O 3.08Å
727F95Very high87.3Confident0 Ų038.2 Ų38.20%020%0.198CC..EExtended strand (participates in β ladder)trans-116.8101.4-169.5177.8-121.9000110.8L576 V577 A578 I579 L694 P697 L698 F710 I714 T729 Y734L576-F727 HydrophobicContact CD1-CB 4.28Å; V577-F727 PolarHBondContact O-N 2.89Å; A578-F727 CarbonylContact C-O 3.44Å; A578-F727 WeakPolarHBondContact CA-O 3.34Å; I579-F727 PolarHBondContact N-O 2.99Å; L694-F727 HydrophobicContact CB-CD2 4.04Å; L694-F727 HydrophobicContact CD1-CD2 4.16Å; P697-F727 HydrophobicContact CG-CD2 4.18Å; P697-F727 HydrophobicContact CG-CE2 3.8Å; L698-F727 HydrophobicContact CD1-CE2 4.2Å; L698-F727 HydrophobicContact CD1-CZ 3.82Å; L698-F727 HydrophobicContact CG-CE2 4.28Å; L698-F727 HydrophobicContact CG-CZ 4.3Å; F710-F727 HydrophobicContact CD2-CE1 4.12Å; F710-F727 HydrophobicContact CD2-CZ 4.22Å; F710-F727 HydrophobicContact CE2-CD1 4.17Å; F710-F727 AromaticContact CE2-CE1 3.84Å; F710-F727 HydrophobicContact CE2-CE1 3.84Å; F710-F727 HydrophobicContact CE2-CZ 4.39Å; I714-F727 HydrophobicContact CD1-CD2 4.26Å; I714-F727 HydrophobicContact CD1-CE2 4Å; I714-F727 HydrophobicContact CG2-CD2 4.49Å; I714-F727 HydrophobicContact CG2-CG 4.48Å; F727-T729 HydrophobicContact CD1-CG2 4.04Å; F727-T729 HydrophobicContact CE1-CG2 3.55Å; F727-T729 HydrophobicContact CZ-CG2 4.11Å; F727-Y734 HydrophobicContact CE1-CD2 4.37Å; F727-Y734 HydrophobicContact CE1-CG 4.29Å; F727-Y734 HydrophobicContact CZ-CD2 4.3Å; F727-Y734 HydrophobicContact CZ-CG 4.45Å
728V93.4Very high87.6Confident1 Ų131.3 Ų31.31%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-76.1135166.9176.20000107.4I579 K587 L591 L694 D696I579-V728 HydrophobicContact CB-CG2 3.92Å; I579-V728 HydrophobicContact CD1-CG2 4.12Å; I579-V728 HydrophobicContact CG2-CG2 4.27Å; I579-V728 WeakPolarHBondContact O-CA 3.33Å; K587-V728 HydrophobicContact CB-CG1 3.77Å; K587-V728 HydrophobicContact CB-CG2 4.35Å; K587-V728 HydrophobicContact CD-CG1 4Å; L591-V728 HydrophobicContact CD1-CB 4.43Å; L591-V728 HydrophobicContact CD1-CG2 3.53Å; L591-V728 HydrophobicContact CD2-CG2 4.28Å; L591-V728 HydrophobicContact CG-CG2 3.83Å; L694-V728 PolarHBondContact O-N 3.32Å; D696-V728 WeakPolarHBondContact CA-O 3.08Å; D696-V728 HydrophobicContact CB-CG1 4.39Å; D696-V728 PolarHBondContact N-O 3.45Å
729T87.2Confident87.7Confident4 Ų434.3 Ų34.33%0.02518%0.176CC..  trans-151.6150.5173.7-169.80000111.8I579 V580 D696 F727 G731 L735I579-T729 PolarHBondContact O-N 3.26Å; V580-T729 HydrophobicContact CG1-CG2 4.47Å; D696-T729 WeakPolarHBondContact OD1-CA 3.3Å; F727-T729 HydrophobicContact CD1-CG2 4.04Å; F727-T729 HydrophobicContact CE1-CG2 3.55Å; F727-T729 HydrophobicContact CZ-CG2 4.11Å; T729-G731 PolarHBondContact OG1-N 3.26Å; T729-G731 VanDerWaalsContact OG1-N 3.07Å; T729-L735 HydrophobicContact CG2-CD2 3.87Å
730H76.7Confident87.8Confident75 Ų7534.4 Ų34.435%0.34717%0.173SC..SBendtrans-90.7-22.8164.2-79.8-86.4000113K587 D696 L732K587-H730 WeakPolarHBondContact CE-NE2 3.15Å; K587-H730 PolarHBondContact NZ-CE1 3.06Å; K587-H730 PolarHBondContact NZ-NE2 2.81Å; D696-H730 PolarHBondContact OD1-N 2.84Å; D696-H730 IonicContact OD2-CD2 2.78Å; H730-L732 PolarHBondContact O-N 3.24Å
731G74.2Confident87.8Confident20 Ų2034.2 Ų34.221%0.20617%0.172CC..  trans-77.6121-177.500000112.7T729 Y734T729-G731 PolarHBondContact OG1-N 3.26Å; T729-G731 VanDerWaalsContact OG1-N 3.07Å; G731-Y734 WeakPolarHBondContact O-CD2 3.22Å
732L72.1Confident87.8Confident9 Ų929.1 Ų29.15%0.04715%0.15CC..G310 helixtrans-73.4-28.9-177.3-64.2-176.7000113.6H730 Y734 L735 L768 I769 Y772H730-L732 PolarHBondContact O-N 3.24Å; L732-Y734 PolarHBondContact O-N 2.96Å; L732-Y734 VanDerWaalsContact O-N 3.13Å; L732-L735 HydrophobicContact CD2-CD1 3.66Å; L732-L735 WeakPolarHBondContact O-CB 3.28Å; L732-L735 WeakPolarHBondContact O-CG 3.39Å; L732-L735 PolarHBondContact O-N 3.46Å; L732-L735 VanDerWaalsContact O-N 3.08Å; L732-L768 HydrophobicContact CD2-CD2 4Å; L732-I769 HydrophobicContact CD1-CG1 4.16Å; L732-I769 HydrophobicContact CD2-CG1 4.42Å; L732-Y772 HydrophobicContact CD1-CD1 3.34Å; L732-Y772 HydrophobicContact CD1-CD2 4.28Å; L732-Y772 HydrophobicContact CD1-CE1 3.93Å; L732-Y772 HydrophobicContact CD1-CG 3.53Å; L732-Y772 HydrophobicContact CG-CD1 4.07Å; L732-Y772 HydrophobicContact CG-CD2 4.37Å; L732-Y772 HydrophobicContact CG-CE1 4.29Å; L732-Y772 HydrophobicContact CG-CG 4.1Å
733G73.8Confident87.8Confident24 Ų2423.2 Ų23.225%0.24712%0.118CC..G310 helixtrans-60.8-26-174.900000114.7
734Y82.6Confident87.6Confident24 Ų2421.4 Ų21.49%0.09411%0.11CC..G310 helixtrans-77.2-23.8179.9-52.1-64.1000113.2L698 L707 F710 F727 G731 L732 K736 K737 V738L698-Y734 HydrophobicContact CD1-CD1 4.28Å; L698-Y734 HydrophobicContact CD1-CD2 4.31Å; L698-Y734 HydrophobicContact CD1-CE1 3.8Å; L698-Y734 HydrophobicContact CD1-CE2 3.87Å; L707-Y734 HydrophobicContact CD2-CD1 4.39Å; L707-Y734 HydrophobicContact CD2-CE1 3.91Å; L707-Y734 HydrophobicContact CG-CE1 4.35Å; F710-Y734 HydrophobicContact CB-CD1 3.78Å; F710-Y734 HydrophobicContact CB-CE1 3.9Å; F710-Y734 HydrophobicContact CD1-CD1 4.15Å; F710-Y734 AromaticContact CD2-CD1 3.67Å; F710-Y734 HydrophobicContact CD2-CD1 3.67Å; F710-Y734 HydrophobicContact CD2-CE1 4.49Å; F710-Y734 AromaticContact CD2-CG 4Å; F710-Y734 HydrophobicContact CD2-CG 4Å; F710-Y734 HydrophobicContact CE2-CD1 4.31Å; F710-Y734 HydrophobicContact CE2-CG 4.31Å; F710-Y734 AromaticContact CG-CD1 3.57Å; F710-Y734 HydrophobicContact CG-CD1 3.57Å; F710-Y734 HydrophobicContact CG-CE1 4.22Å; F710-Y734 HydrophobicContact CG-CG 4.34Å; F727-Y734 HydrophobicContact CE1-CD2 4.37Å; F727-Y734 HydrophobicContact CE1-CG 4.29Å; F727-Y734 HydrophobicContact CZ-CD2 4.3Å; F727-Y734 HydrophobicContact CZ-CG 4.45Å; G731-Y734 WeakPolarHBondContact O-CD2 3.22Å; L732-Y734 PolarHBondContact O-N 2.96Å; L732-Y734 VanDerWaalsContact O-N 3.13Å; Y734-K736 VanDerWaalsContact C-N 3.28Å; Y734-K736 PolarHBondContact O-N 3.42Å; Y734-K737 PolarHBondContact O-N 2.75Å; Y734-K737 VanDerWaalsContact O-N 3.11Å; Y734-V738 WeakPolarHBondContact O-CG2 3.34Å
735L85.2Confident87.1Confident0 Ų025.9 Ų25.90%013%0.127CC..G310 helixtrans-67.7-24.7-166.3-60.9178.7000113.8A578 V580 T729 L732 K737 I741 Y755 F765A578-L735 HydrophobicContact CB-CD2 3.62Å; V580-L735 HydrophobicContact CG1-CD1 3.86Å; V580-L735 HydrophobicContact CG1-CD2 3.56Å; V580-L735 HydrophobicContact CG1-CG 4.36Å; T729-L735 HydrophobicContact CG2-CD2 3.87Å; L732-L735 HydrophobicContact CD2-CD1 3.66Å; L732-L735 WeakPolarHBondContact O-CB 3.28Å; L732-L735 WeakPolarHBondContact O-CG 3.39Å; L732-L735 PolarHBondContact O-N 3.46Å; L732-L735 VanDerWaalsContact O-N 3.08Å; L735-K737 VanDerWaalsContact C-N 3.26Å; L735-K737 PolarHBondContact O-N 3.5Å; L735-I741 HydrophobicContact CB-CD1 3.85Å; L735-Y755 HydrophobicContact CB-CD2 3.95Å; L735-Y755 HydrophobicContact CB-CE2 4.27Å; L735-F765 HydrophobicContact CD1-CE2 3.86Å; L735-F765 HydrophobicContact CD1-CZ 4.05Å
736K82.5Confident86.4Confident51 Ų5132 Ų3222%0.22216%0.16CC..G310 helixtrans-66-28.6175.5-59.6-169.7-173-164.50113.1Y734 Y755 E791 D795Y734-K736 VanDerWaalsContact C-N 3.28Å; Y734-K736 PolarHBondContact O-N 3.42Å; K736-Y755 HydrophobicContact CD-CE1 4.4Å; K736-Y755 HydrophobicContact CG-CD1 4.08Å; K736-Y755 HydrophobicContact CG-CD2 4.23Å; K736-Y755 HydrophobicContact CG-CE1 3.91Å; K736-Y755 HydrophobicContact CG-CE2 4.05Å; K736-Y755 HydrophobicContact CG-CG 4.25Å; K736-E791 PolarHBondContact NZ-O 3.13Å; K736-E791 IonicContact NZ-OE1 3.25Å; K736-E791 PolarHBondContact NZ-OE1 3.02Å; K736-D795 WeakPolarHBondContact CD-OD2 3.34Å; K736-D795 WeakPolarHBondContact CE-OD2 2.89Å; K736-D795 IonicContact NZ-OD1 2.7Å; K736-D795 PolarHBondContact NZ-OD1 3.42Å; K736-D795 IonicContact NZ-OD2 2.71Å; K736-D795 PolarHBondContact NZ-OD2 3.46Å
737K85Confident85.9Confident92 Ų9232.1 Ų32.140%0.416%0.161SC..G310 helixtrans-94.99.6-173.5-64.1179-180172.80113.1F710 E711 Y734 L735F710-K737 HydrophobicContact CD1-CD 4.2Å; F710-K737 HydrophobicContact CE1-CB 3.54Å; F710-K737 HydrophobicContact CE1-CD 3.82Å; F710-K737 HydrophobicContact CE1-CG 4.29Å; F710-K737 HydrophobicContact CZ-CB 3.97Å; E711-K737 IonicContact OE1-NZ 2.64Å; E711-K737 PolarHBondContact OE1-NZ 3.09Å; Y734-K737 PolarHBondContact O-N 2.75Å; Y734-K737 VanDerWaalsContact O-N 3.11Å; L735-K737 VanDerWaalsContact C-N 3.26Å; L735-K737 PolarHBondContact O-N 3.5Å
738V90.4Very high85.6Confident12 Ų1238.8 Ų38.87%0.07319%0.186CC..SBendtrans-104.8144.7-175.1173.80000109.5L576 A578 F710 Y734 R740L576-V738 HydrophobicContact CD2-CG2 4.18Å; L576-V738 HydrophobicContact CG-CB 4.45Å; L576-V738 HydrophobicContact CG-CG1 4.16Å; L576-V738 HydrophobicContact CG-CG2 4.25Å; L576-V738 WeakPolarHBondContact O-CG1 3.47Å; A578-V738 HydrophobicContact CB-CB 4.33Å; A578-V738 HydrophobicContact CB-CG1 3.66Å; A578-V738 HydrophobicContact CB-CG2 4.08Å; A578-V738 VanDerWaalsContact N-CG1 3.3Å; F710-V738 HydrophobicContact CE2-CG2 4.5Å; F710-V738 HydrophobicContact CZ-CG2 4.13Å; Y734-V738 WeakPolarHBondContact O-CG2 3.34Å; V738-R740 WeakPolarHBondContact CG1-O 3.34Å
739D92.2Very high85.5Confident68 Ų6840.4 Ų40.436%0.36419%0.194SC..SBendtrans-69.3-37.9-177.6-53.2-38000111.9E575 L576 N716E575-D739 HydrophobicContact CG-CB 4.12Å; L576-D739 PolarHBondContact N-OD2 2.71Å; L576-D739 WeakPolarHBondContact O-CB 3.41Å; L576-D739 PolarHBondContact O-N 3.31Å; N716-D739 PolarHBondContact ND2-OD1 3.44Å
740R94Very high85.5Confident56 Ų5642.8 Ų42.821%0.21121%0.211CC..EExtended strand (participates in β ladder)trans-150139.8179.9-176.4160.851.9146.10.2112.8S570 E575 L576 V577 A578 V738S570-R740 PolarHBondContact O-NH1 3.15Å; S570-R740 PolarHBondContact O-NH2 3.44Å; E575-R740 IonicContact OE1-CZ 2.68Å; E575-R740 IonicContact OE1-NE 2.66Å; E575-R740 PolarHBondContact OE1-NE 2.68Å; E575-R740 IonicContact OE1-NH2 3.85Å; E575-R740 PolarHBondContact OE1-NH2 2.97Å; E575-R740 IonicContact OE2-CZ 2.78Å; E575-R740 IonicContact OE2-NH2 2.75Å; E575-R740 PolarHBondContact OE2-NH2 3.37Å; L576-R740 PolarHBondContact O-N 3.04Å; V577-R740 CarbonylContact C-O 2.98Å; V577-R740 VanDerWaalsContact CA-O 3.26Å; V577-R740 WeakPolarHBondContact CA-O 3.5Å; V577-R740 HydrophobicContact CG2-CB 4.5Å; A578-R740 PolarHBondContact N-O 3.44Å; V738-R740 WeakPolarHBondContact CG1-O 3.34Å
741I92.9Very high86.1Confident0 Ų041.4 Ų41.40%021%0.205CC..EExtended strand (participates in β ladder)trans-109.2138.3176.4-58169.4000109A578 V580 L735 V743 T752 G753 Y755 L758 F765A578-I741 HydrophobicContact CB-CG1 4.43Å; A578-I741 CarbonylContact O-C 3.52Å; A578-I741 WeakPolarHBondContact O-CA 3.49Å; V580-I741 HydrophobicContact CG2-CG2 3.67Å; L735-I741 HydrophobicContact CB-CD1 3.85Å; I741-V743 HydrophobicContact CG2-CG2 4.31Å; I741-T752 VanDerWaalsContact O-CA 3.31Å; I741-T752 WeakPolarHBondContact O-CA 3.43Å; I741-G753 PolarHBondContact N-O 2.77Å; I741-G753 PolarHBondContact O-N 3.44Å; I741-Y755 HydrophobicContact CD1-CD2 3.88Å; I741-Y755 HydrophobicContact CD1-CG 4.38Å; I741-L758 HydrophobicContact CB-CD1 3.71Å; I741-L758 HydrophobicContact CG2-CD1 3.86Å; I741-F765 HydrophobicContact CD1-CE2 4.25Å; I741-F765 HydrophobicContact CD1-CZ 3.95Å; I741-F765 HydrophobicContact CG2-CD2 4.36Å; I741-F765 HydrophobicContact CG2-CE2 4.12Å
742I92.9Very high86.9Confident1 Ų143.7 Ų43.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-118.6120.5174.6-60.6172.2000107.7L569 V577 A578 I579 V580 I744 I749 T752L569-I742 HydrophobicContact CD1-CD1 3.24Å; V577-I742 HydrophobicContact CG1-CD1 3.35Å; V577-I742 HydrophobicContact CG1-CG1 3.8Å; A578-I742 PolarHBondContact O-N 3.16Å; I579-I742 WeakPolarHBondContact CA-O 3.39Å; I579-I742 HydrophobicContact CG1-CB 4.37Å; V580-I742 PolarHBondContact N-O 3.36Å; I742-I744 HydrophobicContact CG2-CG1 4.39Å; I742-I749 HydrophobicContact CG2-CD1 4.28Å; I742-I749 HydrophobicContact CG2-CG1 4.04Å; I742-I749 HydrophobicContact CG2-CG2 3.93Å; I742-T752 HydrophobicContact CB-CG2 4.45Å; I742-T752 HydrophobicContact CG1-CG2 4.04Å; I742-T752 HydrophobicContact CG2-CG2 4.23Å
743V91.2Very high87.7Confident2 Ų243.8 Ų43.81%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-98.6122.4177.8-171.70000109.6V580 I741 S750 E751 L758 A764 F765V580-V743 HydrophobicContact CG2-CB 4.41Å; V580-V743 HydrophobicContact CG2-CG2 3.85Å; V580-V743 WeakPolarHBondContact O-CA 3.29Å; I741-V743 HydrophobicContact CG2-CG2 4.31Å; V743-S750 PolarHBondContact O-N 3.31Å; V743-E751 PolarHBondContact N-O 2.96Å; V743-L758 HydrophobicContact CG2-CD1 4.13Å; V743-A764 HydrophobicContact CG1-CB 4.04Å; V743-F765 HydrophobicContact CG2-CB 3.83Å; V743-F765 HydrophobicContact CG2-CD2 3.81Å; V743-F765 HydrophobicContact CG2-CG 4.2Å
744I90Very high88.4Confident2 Ų245.4 Ų45.41%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-103.8128.7175.6-57.5179.7000109.5I579 V580 G581 S585 L590 I742 R748I579-I744 HydrophobicContact CG2-CD1 3.44Å; I579-I744 VanDerWaalsContact CG2-CD1 3.44Å; I579-I744 HydrophobicContact CG2-CG1 3.99Å; V580-I744 PolarHBondContact O-N 2.88Å; G581-I744 WeakPolarHBondContact CA-O 3.37Å; S585-I744 WeakPolarHBondContact CB-O 3.48Å; S585-I744 WeakPolarHBondContact O-CG2 3.35Å; L590-I744 HydrophobicContact CB-CD1 4.07Å; L590-I744 HydrophobicContact CD2-CD1 3.55Å; L590-I744 HydrophobicContact CG-CD1 4.44Å; I742-I744 HydrophobicContact CG2-CG1 4.39Å; I744-R748 WeakPolarHBondContact CA-O 3.41Å
745R85.1Confident88.4Confident100 Ų10045.2 Ų45.238%0.37723%0.225SC..EExtended strand (participates in β ladder)trans-135.6129.7174.7-168.9-178.7-172.716311.4109.1G747 R748 E767R745-G747 PolarHBondContact O-N 3.01Å; R745-G747 VanDerWaalsContact O-N 3.17Å; R745-R748 PolarHBondContact N-O 2.99Å; R745-R748 PolarHBondContact O-N 3.36Å; R745-E767 IonicContact CZ-OE2 3.48Å; R745-E767 IonicContact NH1-OE1 3.85Å; R745-E767 IonicContact NH1-OE2 2.98Å; R745-E767 PolarHBondContact NH1-OE2 2.71Å; R745-E767 IonicContact NH2-OE2 2.98Å; R745-E767 PolarHBondContact NH2-OE2 3.48Å
746N81.8Confident88.2Confident131 Ų13147.9 Ų47.970%0.70125%0.247SC*.THydrogen-bonded Turntrans47.943.7178.7-59.1-22.7000113.4R748N746-R748 VanDerWaalsContact C-N 3.27Å; N746-R748 PolarHBondContact O-N 3.22Å
747G85.2Confident88.3Confident3 Ų351 Ų513%0.03126%0.262CS..THydrogen-bonded Turntrans76.72.5179.200000116.2I563 L564 E565 I567 S585 R745I563-G747 WeakPolarHBondContact O-CA 3.06Å; L564-G747 CarbonylContact C-O 3.59Å; L564-G747 VanDerWaalsContact CA-O 3.23Å; L564-G747 WeakPolarHBondContact CA-O 3.39Å; E565-G747 PolarHBondContact N-O 3.27Å; I567-G747 WeakPolarHBondContact CD1-O 3.21Å; S585-G747 WeakPolarHBondContact O-CA 3.32Å; S585-G747 PolarHBondContact O-N 3.04Å; R745-G747 PolarHBondContact O-N 3.01Å; R745-G747 VanDerWaalsContact O-N 3.17Å
748R89.9Confident88.2Confident139 Ų13946.8 Ų46.853%0.52524%0.244SC..EExtended strand (participates in β ladder)trans-116.6151179.1-63.1-174.9-179-170.71.6111E565 I744 R745 N746 S750E565-R748 HydrophobicContact CB-CG 3.8Å; E565-R748 IonicContact OE2-CZ 2.95Å; E565-R748 IonicContact OE2-NE 3.89Å; E565-R748 PolarHBondContact OE2-NE 2.86Å; E565-R748 IonicContact OE2-NH2 2.99Å; E565-R748 PolarHBondContact OE2-NH2 2.81Å; I744-R748 WeakPolarHBondContact CA-O 3.41Å; R745-R748 PolarHBondContact N-O 2.99Å; R745-R748 PolarHBondContact O-N 3.36Å; N746-R748 VanDerWaalsContact C-N 3.27Å; N746-R748 PolarHBondContact O-N 3.22Å; R748-S750 PolarHBondContact O-N 3.31Å
749I90.5Very high87.7Confident36 Ų3646.2 Ų46.219%0.18524%0.24CC..EExtended strand (participates in β ladder)trans-74109.6167.1-64.4172.6000106.9I567 N568 L569 I742 T752I567-I749 HydrophobicContact CD1-CD1 4.49Å; I567-I749 HydrophobicContact CD1-CG1 4.09Å; I567-I749 HydrophobicContact CG2-CD1 3.89Å; N568-I749 WeakPolarHBondContact O-CD1 3.03Å; L569-I749 HydrophobicContact CB-CD1 4.3Å; I742-I749 HydrophobicContact CG2-CD1 4.28Å; I742-I749 HydrophobicContact CG2-CG1 4.04Å; I742-I749 HydrophobicContact CG2-CG2 3.93Å; I749-T752 HydrophobicContact CG2-CG2 3.46Å; I749-T752 VanDerWaalsContact CG2-CG2 3.46Å
750S87.8Confident87Confident54 Ų5445.5 Ų45.538%0.37824%0.244SC..EExtended strand (participates in β ladder)trans-76.5-52.6179.3-170.70000110.3V743 R748 A764V743-S750 PolarHBondContact O-N 3.31Å; R748-S750 PolarHBondContact O-N 3.31Å; S750-A764 VanDerWaalsContact OG-CB 3.28Å; S750-A764 WeakPolarHBondContact OG-CB 3.41Å
751E88.7Confident86.2Confident45 Ų4545.5 Ų45.521%0.2125%0.252CS..EExtended strand (participates in β ladder)trans-148.3152.1-174.4-63.4176.2-142.400110.8V743 L758 S761 G763 A764V743-E751 PolarHBondContact N-O 2.96Å; E751-L758 HydrophobicContact CB-CD2 3.68Å; E751-S761 PolarHBondContact OE2-OG 3.38Å; E751-G763 WeakPolarHBondContact OE1-CA 3.42Å; E751-G763 WeakPolarHBondContact OE2-CA 3.49Å; E751-A764 PolarHBondContact OE1-N 2.81Å
752T90.4Very high85.1Confident68 Ų6852.3 Ų52.342%0.41728%0.278SS..EExtended strand (participates in β ladder)trans-139.8132.7176.3640000109.8I741 I742 I749I741-T752 VanDerWaalsContact O-CA 3.31Å; I741-T752 WeakPolarHBondContact O-CA 3.43Å; I742-T752 HydrophobicContact CB-CG2 4.45Å; I742-T752 HydrophobicContact CG1-CG2 4.04Å; I742-T752 HydrophobicContact CG2-CG2 4.23Å; I749-T752 HydrophobicContact CG2-CG2 3.46Å; I749-T752 VanDerWaalsContact CG2-CG2 3.46Å
753G90.1Very high84.5Confident11 Ų1152.6 Ų52.611%0.11328%0.281CS..EExtended strand (participates in β ladder)trans176.7-177.5-179.100000112.8I741I741-G753 PolarHBondContact N-O 2.77Å; I741-G753 PolarHBondContact O-N 3.44Å
754S87.3Confident84Confident58 Ų5853 Ų5341%0.40628%0.284SS..  trans-74160.7168.164.70000110.5A756 H757 L758S754-A756 PolarHBondContact O-N 3.36Å; S754-H757 PolarHBondContact O-N 2.99Å; S754-H757 VanDerWaalsContact O-N 3.11Å; S754-H757 WeakPolarHBondContact OG-CB 3.45Å; S754-H757 PolarHBondContact OG-N 3.11Å; S754-L758 PolarHBondContact O-N 3.27Å
755Y84.3Confident83.6Confident20 Ų2052.9 Ų52.98%0.07828%0.284CS..Hα-helixtrans-49.8-52.5178.2-178.1-93.4000112.8L735 K736 I741 H757 L758 L759 F765 D795L735-Y755 HydrophobicContact CB-CD2 3.95Å; L735-Y755 HydrophobicContact CB-CE2 4.27Å; K736-Y755 HydrophobicContact CD-CE1 4.4Å; K736-Y755 HydrophobicContact CG-CD1 4.08Å; K736-Y755 HydrophobicContact CG-CD2 4.23Å; K736-Y755 HydrophobicContact CG-CE1 3.91Å; K736-Y755 HydrophobicContact CG-CE2 4.05Å; K736-Y755 HydrophobicContact CG-CG 4.25Å; I741-Y755 HydrophobicContact CD1-CD2 3.88Å; I741-Y755 HydrophobicContact CD1-CG 4.38Å; Y755-H757 VanDerWaalsContact C-N 3.32Å; Y755-H757 PolarHBondContact O-N 3.32Å; Y755-L758 PolarHBondContact O-N 3.04Å; Y755-L759 HydrophobicContact CE1-CD2 4.13Å; Y755-L759 WeakPolarHBondContact O-CB 3.44Å; Y755-L759 PolarHBondContact O-N 3.14Å; Y755-L759 VanDerWaalsContact O-N 3.07Å; Y755-F765 HydrophobicContact CD2-CE1 4.04Å; Y755-F765 AromaticContact CD2-CZ 3.84Å; Y755-F765 HydrophobicContact CD2-CZ 3.84Å; Y755-F765 HydrophobicContact CE2-CE1 4.09Å; Y755-F765 AromaticContact CE2-CZ 3.89Å; Y755-F765 HydrophobicContact CE2-CZ 3.89Å; Y755-D795 HydrophobicContact CE1-CB 4.19Å; Y755-D795 VanDerWaalsContact CE1-OD2 3.31Å; Y755-D795 WeakPolarHBondContact CE1-OD2 3.21Å
756A80.4Confident83.3Confident56 Ų5648.3 Ų48.346%0.46327%0.268SS..Hα-helixtrans-62.9-36.3-18000000113.1S754 A760S754-A756 PolarHBondContact O-N 3.36Å; A756-A760 PolarHBondContact O-N 2.9Å
757H84.3Confident83.1Confident118 Ų11845.9 Ų45.955%0.54625%0.252SS..Hα-helixtrans-69.9-44.3-179.8-176.564.6000112.3S754 Y755 L759 A760 S761S754-H757 PolarHBondContact O-N 2.99Å; S754-H757 VanDerWaalsContact O-N 3.11Å; S754-H757 WeakPolarHBondContact OG-CB 3.45Å; S754-H757 PolarHBondContact OG-N 3.11Å; Y755-H757 VanDerWaalsContact C-N 3.32Å; Y755-H757 PolarHBondContact O-N 3.32Å; H757-L759 VanDerWaalsContact C-N 3.35Å; H757-A760 PolarHBondContact O-N 2.83Å; H757-S761 PolarHBondContact O-N 3.38Å; H757-S761 VanDerWaalsContact O-N 3.11Å
758L83.9Confident82.6Confident3 Ų346.9 Ų46.92%0.01626%0.257CS..Hα-helixtrans-71.7-29.4179.9-66.7-179.5000112.8I741 V743 E751 S754 Y755 A760 S761 F765I741-L758 HydrophobicContact CB-CD1 3.71Å; I741-L758 HydrophobicContact CG2-CD1 3.86Å; V743-L758 HydrophobicContact CG2-CD1 4.13Å; E751-L758 HydrophobicContact CB-CD2 3.68Å; S754-L758 PolarHBondContact O-N 3.27Å; Y755-L758 PolarHBondContact O-N 3.04Å; L758-A760 VanDerWaalsContact C-N 3.32Å; L758-S761 PolarHBondContact O-OG 3.32Å; L758-F765 HydrophobicContact CB-CB 3.89Å; L758-F765 HydrophobicContact CB-CD1 3.49Å; L758-F765 VanDerWaalsContact CB-CD1 3.49Å; L758-F765 HydrophobicContact CB-CE1 4.2Å; L758-F765 HydrophobicContact CB-CG 3.81Å; L758-F765 HydrophobicContact CD1-CB 4.47Å; L758-F765 HydrophobicContact CD1-CG 4.27Å
759L79.6Confident81.9Confident0 Ų040.3 Ų40.30%023%0.232CC..Hα-helixtrans-69.4-34.2174.3-16464.8000111.6Y755 H757 I769 D795 V796 V799 L803Y755-L759 HydrophobicContact CE1-CD2 4.13Å; Y755-L759 WeakPolarHBondContact O-CB 3.44Å; Y755-L759 PolarHBondContact O-N 3.14Å; Y755-L759 VanDerWaalsContact O-N 3.07Å; H757-L759 VanDerWaalsContact C-N 3.35Å; L759-I769 HydrophobicContact CD1-CD1 3.64Å; L759-D795 HydrophobicContact CD2-CB 4.11Å; L759-V796 HydrophobicContact CD1-CG2 3.83Å; L759-V796 HydrophobicContact CD2-CG2 4.05Å; L759-V796 HydrophobicContact CG-CG2 4.34Å; L759-V799 HydrophobicContact CB-CG1 4.07Å; L759-V799 HydrophobicContact CD2-CB 4.04Å; L759-V799 HydrophobicContact CD2-CG1 4.35Å; L759-V799 HydrophobicContact CD2-CG2 4.25Å; L759-V799 HydrophobicContact CG-CB 4.39Å; L759-V799 HydrophobicContact CG-CG1 4.26Å; L759-L803 HydrophobicContact CD1-CD2 4.48Å
760A76.7Confident80.9Confident52 Ų5240.9 Ų40.943%0.4323%0.234SC..Hα-helixtrans-74.2-31.9176.200000113.6A756 H757 L758 R762 V799A756-A760 PolarHBondContact O-N 2.9Å; H757-A760 PolarHBondContact O-N 2.83Å; L758-A760 VanDerWaalsContact C-N 3.32Å; A760-R762 PolarHBondContact O-N 2.87Å; A760-R762 VanDerWaalsContact O-N 3.14Å; A760-V799 HydrophobicContact CB-CG1 3.67Å
761S77.3Confident79.9Confident56 Ų5640.8 Ų40.839%0.39223%0.231SC..THydrogen-bonded Turntrans-66-14.6-174.5670000114.3E751 H757 L758 G763E751-S761 PolarHBondContact OE2-OG 3.38Å; H757-S761 PolarHBondContact O-N 3.38Å; H757-S761 VanDerWaalsContact O-N 3.11Å; L758-S761 PolarHBondContact O-OG 3.32Å; S761-G763 PolarHBondContact O-N 3.48Å; S761-G763 PolarHBondContact OG-N 3.43Å
762R70.1Confident78.7Confident143 Ų14341 Ų4154%0.5423%0.23SC..THydrogen-bonded Turntrans53.232.9-170.5-69.6-175.4-178.4169.210.3113A760 N800 N802A760-R762 PolarHBondContact O-N 2.87Å; A760-R762 VanDerWaalsContact O-N 3.14Å; R762-N800 WeakPolarHBondContact CG-ND2 3.45Å; R762-N800 PolarHBondContact NE-ND2 3.1Å; R762-N800 PolarHBondContact NE-OD1 3.2Å; R762-N800 PolarHBondContact NH2-OD1 3.35Å; R762-N802 PolarHBondContact NH2-ND2 3.23Å; R762-N802 VanDerWaalsContact NH2-ND2 3.11Å
763G79.5Confident77.4Confident8 Ų837.9 Ų37.98%0.08221%0.211CC..SBendtrans-84-166.2-175.800000115.4E751 S761 F765 A766 E767E751-G763 WeakPolarHBondContact OE1-CA 3.42Å; E751-G763 WeakPolarHBondContact OE2-CA 3.49Å; S761-G763 PolarHBondContact O-N 3.48Å; S761-G763 PolarHBondContact OG-N 3.43Å; G763-F765 PolarHBondContact O-N 2.95Å; G763-F765 VanDerWaalsContact O-N 3.13Å; G763-A766 PolarHBondContact O-N 3.48Å; G763-E767 PolarHBondContact O-N 3.44Å
764A80.4Confident76Confident9 Ų941.8 Ų41.87%0.07423%0.225CC..Hα-helixtrans-58.4-25.6173.700000113V743 S750 E751 L768V743-A764 HydrophobicContact CG1-CB 4.04Å; S750-A764 VanDerWaalsContact OG-CB 3.28Å; S750-A764 WeakPolarHBondContact OG-CB 3.41Å; E751-A764 PolarHBondContact OE1-N 2.81Å; A764-L768 WeakPolarHBondContact O-CB 3.25Å; A764-L768 PolarHBondContact O-N 3.27Å; A764-L768 VanDerWaalsContact O-N 3.08Å
765F82.4Confident74.4Confident0 Ų041.9 Ų41.90%022%0.221CC..Hα-helixtrans-65.7-47.5173.6-171.8-119.9000112.2V580 L735 I741 V743 Y755 L758 G763 E767 L768 I769V580-F765 HydrophobicContact CG2-CD2 4.1Å; V580-F765 HydrophobicContact CG2-CE2 4.15Å; L735-F765 HydrophobicContact CD1-CE2 3.86Å; L735-F765 HydrophobicContact CD1-CZ 4.05Å; I741-F765 HydrophobicContact CD1-CE2 4.25Å; I741-F765 HydrophobicContact CD1-CZ 3.95Å; I741-F765 HydrophobicContact CG2-CD2 4.36Å; I741-F765 HydrophobicContact CG2-CE2 4.12Å; V743-F765 HydrophobicContact CG2-CB 3.83Å; V743-F765 HydrophobicContact CG2-CD2 3.81Å; V743-F765 HydrophobicContact CG2-CG 4.2Å; Y755-F765 HydrophobicContact CD2-CE1 4.04Å; Y755-F765 AromaticContact CD2-CZ 3.84Å; Y755-F765 HydrophobicContact CD2-CZ 3.84Å; Y755-F765 HydrophobicContact CE2-CE1 4.09Å; Y755-F765 AromaticContact CE2-CZ 3.89Å; Y755-F765 HydrophobicContact CE2-CZ 3.89Å; L758-F765 HydrophobicContact CB-CB 3.89Å; L758-F765 HydrophobicContact CB-CD1 3.49Å; L758-F765 VanDerWaalsContact CB-CD1 3.49Å; L758-F765 HydrophobicContact CB-CE1 4.2Å; L758-F765 HydrophobicContact CB-CG 3.81Å; L758-F765 HydrophobicContact CD1-CB 4.47Å; L758-F765 HydrophobicContact CD1-CG 4.27Å; G763-F765 PolarHBondContact O-N 2.95Å; G763-F765 VanDerWaalsContact O-N 3.13Å; F765-E767 VanDerWaalsContact C-N 3.34Å; F765-L768 WeakPolarHBondContact O-CB 3.39Å; F765-L768 PolarHBondContact O-N 3.39Å; F765-I769 HydrophobicContact CD1-CD1 3.86Å; F765-I769 HydrophobicContact CE1-CD1 3.35Å; F765-I769 HydrophobicContact CE1-CG1 4.38Å; F765-I769 HydrophobicContact CE2-CD1 4.24Å; F765-I769 HydrophobicContact CZ-CD1 3.57Å; F765-I769 HydrophobicContact CZ-CG1 4.29Å; F765-I769 PolarHBondContact O-N 2.92Å
766A78.7Confident72.8Confident4 Ų442.2 Ų42.23%0.03323%0.228CC..Hα-helixtrans-64.7-39.9179.800000111.2G763 L768 I769 E770 L803G763-A766 PolarHBondContact O-N 3.48Å; A766-L768 VanDerWaalsContact C-N 3.32Å; A766-L768 PolarHBondContact O-N 3.41Å; A766-I769 PolarHBondContact O-N 3.48Å; A766-E770 WeakPolarHBondContact O-CB 3.49Å; A766-E770 PolarHBondContact O-N 2.83Å; A766-L803 HydrophobicContact CB-CD2 3.89Å
767E77.6Confident71.3Confident80 Ų8040.9 Ų40.937%0.37421%0.214SC..Hα-helixtrans-61-39.9172.2-69.9-179.5-17400112.1R745 G763 F765 E770 T771R745-E767 IonicContact CZ-OE2 3.48Å; R745-E767 IonicContact NH1-OE1 3.85Å; R745-E767 IonicContact NH1-OE2 2.98Å; R745-E767 PolarHBondContact NH1-OE2 2.71Å; R745-E767 IonicContact NH2-OE2 2.98Å; R745-E767 PolarHBondContact NH2-OE2 3.48Å; G763-E767 PolarHBondContact O-N 3.44Å; F765-E767 VanDerWaalsContact C-N 3.34Å; E767-E770 PolarHBondContact O-N 3.42Å; E767-T771 WeakPolarHBondContact O-CB 3.29Å; E767-T771 PolarHBondContact O-N 3.22Å; E767-T771 PolarHBondContact O-OG1 3.29Å
768L75Confident69.3Low25 Ų2539.8 Ų39.813%0.13121%0.209CC..Hα-helixtrans-67.2-40.3178-174.9140000111.8L732 A764 F765 A766 T771 Y772L732-L768 HydrophobicContact CD2-CD2 4Å; A764-L768 WeakPolarHBondContact O-CB 3.25Å; A764-L768 PolarHBondContact O-N 3.27Å; A764-L768 VanDerWaalsContact O-N 3.08Å; F765-L768 WeakPolarHBondContact O-CB 3.39Å; F765-L768 PolarHBondContact O-N 3.39Å; A766-L768 VanDerWaalsContact C-N 3.32Å; A766-L768 PolarHBondContact O-N 3.41Å; L768-T771 PolarHBondContact O-N 3.43Å; L768-Y772 WeakPolarHBondContact O-CB 3.25Å; L768-Y772 PolarHBondContact O-N 3.36Å
769I75.3Confident67.2Low1 Ų144.9 Ų44.91%0.00523%0.232CC..Hα-helixtrans-64-41.9172-69.7174.9000110.4L732 L759 F765 A766 Y772 I773 V792L732-I769 HydrophobicContact CD1-CG1 4.16Å; L732-I769 HydrophobicContact CD2-CG1 4.42Å; L759-I769 HydrophobicContact CD1-CD1 3.64Å; F765-I769 HydrophobicContact CD1-CD1 3.86Å; F765-I769 HydrophobicContact CE1-CD1 3.35Å; F765-I769 HydrophobicContact CE1-CG1 4.38Å; F765-I769 HydrophobicContact CE2-CD1 4.24Å; F765-I769 HydrophobicContact CZ-CD1 3.57Å; F765-I769 HydrophobicContact CZ-CG1 4.29Å; F765-I769 PolarHBondContact O-N 2.92Å; A766-I769 PolarHBondContact O-N 3.48Å; I769-Y772 PolarHBondContact O-N 3.07Å; I769-I773 HydrophobicContact CG2-CD1 3.49Å; I769-I773 VanDerWaalsContact CG2-CD1 3.49Å; I769-I773 HydrophobicContact CG2-CG1 4.1Å; I769-I773 WeakPolarHBondContact O-CB 3.37Å; I769-I773 WeakPolarHBondContact O-CG1 3.22Å; I769-I773 PolarHBondContact O-N 2.73Å; I769-V792 HydrophobicContact CG2-CG1 3.81Å
770E69.2Low65.5Low47 Ų4746.6 Ų46.622%0.2225%0.251CS..Hα-helixtrans-63.8-41.8177.3-178.6170.5-157.800112.2A766 E767 K774 L807 I810A766-E770 WeakPolarHBondContact O-CB 3.49Å; A766-E770 PolarHBondContact O-N 2.83Å; E767-E770 PolarHBondContact O-N 3.42Å; E770-K774 WeakPolarHBondContact O-CB 3.27Å; E770-K774 PolarHBondContact O-N 3.12Å; E770-L807 HydrophobicContact CB-CD2 3.92Å; E770-L807 HydrophobicContact CG-CD2 3.78Å; E770-I810 HydrophobicContact CG-CD1 4.29Å
771T67.5Low63.6Low52 Ų5250.3 Ų50.332%0.31926%0.259SS..Hα-helixtrans-64.4-45.9174.6-44.20000110.2E767 L768 K774 D775E767-T771 WeakPolarHBondContact O-CB 3.29Å; E767-T771 PolarHBondContact O-N 3.22Å; E767-T771 PolarHBondContact O-OG1 3.29Å; L768-T771 PolarHBondContact O-N 3.43Å; T771-K774 CarbonylContact O-C 3.51Å; T771-K774 WeakPolarHBondContact O-CB 3.29Å; T771-K774 PolarHBondContact O-N 3.37Å; T771-D775 WeakPolarHBondContact O-CB 3.43Å; T771-D775 PolarHBondContact O-N 2.79Å
772Y63.3Low61.6Low50 Ų5052.9 Ų52.920%0.19627%0.268CS..Hα-helixtrans-65-41.1177.6-174.4-86.1000112.8L732 L768 I769 K774 D775 A776 D785L732-Y772 HydrophobicContact CD1-CD1 3.34Å; L732-Y772 HydrophobicContact CD1-CD2 4.28Å; L732-Y772 HydrophobicContact CD1-CE1 3.93Å; L732-Y772 HydrophobicContact CD1-CG 3.53Å; L732-Y772 HydrophobicContact CG-CD1 4.07Å; L732-Y772 HydrophobicContact CG-CD2 4.37Å; L732-Y772 HydrophobicContact CG-CE1 4.29Å; L732-Y772 HydrophobicContact CG-CG 4.1Å; L768-Y772 WeakPolarHBondContact O-CB 3.25Å; L768-Y772 PolarHBondContact O-N 3.36Å; I769-Y772 PolarHBondContact O-N 3.07Å; Y772-K774 VanDerWaalsContact C-N 3.26Å; Y772-K774 PolarHBondContact O-N 3.03Å; Y772-D775 PolarHBondContact O-N 3.13Å; Y772-A776 HydrophobicContact CD1-CB 4.27Å; Y772-A776 HydrophobicContact CE1-CB 4.13Å; Y772-A776 WeakPolarHBondContact O-CB 3.42Å; Y772-A776 PolarHBondContact O-N 3.36Å; Y772-D785 PolarHBondContact OH-OD2 3.23Å
773I63.1Low59.9Low3 Ų349.2 Ų49.22%0.01526%0.259CS..Hα-helixtrans-64.6-39.3176.2-68.2169.4000109.2I769 V777 L789 V792 L793 L807I769-I773 HydrophobicContact CG2-CD1 3.49Å; I769-I773 VanDerWaalsContact CG2-CD1 3.49Å; I769-I773 HydrophobicContact CG2-CG1 4.1Å; I769-I773 WeakPolarHBondContact O-CB 3.37Å; I769-I773 WeakPolarHBondContact O-CG1 3.22Å; I769-I773 PolarHBondContact O-N 2.73Å; I773-V777 HydrophobicContact CG2-CG2 4.29Å; I773-V777 WeakPolarHBondContact O-CB 3.23Å; I773-V777 WeakPolarHBondContact O-CG2 3.3Å; I773-V777 PolarHBondContact O-N 3.19Å; I773-L789 HydrophobicContact CB-CD1 4.22Å; I773-L789 HydrophobicContact CG1-CD1 3.61Å; I773-L789 HydrophobicContact CG2-CD1 4.27Å; I773-V792 HydrophobicContact CD1-CG1 4.38Å; I773-L793 HydrophobicContact CD1-CD2 4.12Å; I773-L793 HydrophobicContact CD1-CG 4.49Å; I773-L807 HydrophobicContact CB-CD2 4.11Å; I773-L807 HydrophobicContact CD1-CD1 3.6Å; I773-L807 HydrophobicContact CD1-CD2 3.78Å; I773-L807 HydrophobicContact CD1-CG 4.23Å; I773-L807 HydrophobicContact CG2-CD2 4.12Å
774K59.8Low57.9Low92 Ų9251.1 Ų51.140%0.427%0.271SS..Hα-helixtrans-63.2-50.5174.2-173.5-178.7172.8-170.30110.9E770 T771 Y772 V777 E778E770-K774 WeakPolarHBondContact O-CB 3.27Å; E770-K774 PolarHBondContact O-N 3.12Å; T771-K774 CarbonylContact O-C 3.51Å; T771-K774 WeakPolarHBondContact O-CB 3.29Å; T771-K774 PolarHBondContact O-N 3.37Å; Y772-K774 VanDerWaalsContact C-N 3.26Å; Y772-K774 PolarHBondContact O-N 3.03Å; K774-V777 CarbonylContact O-C 3.39Å; K774-V777 PolarHBondContact O-N 2.84Å; K774-E778 VanDerWaalsContact CE-CD 3.5Å; K774-E778 WeakPolarHBondContact CE-OE1 3.32Å; K774-E778 HydrophobicContact CG-CG 4.33Å; K774-E778 VanDerWaalsContact CG-OE1 3.29Å; K774-E778 WeakPolarHBondContact CG-OE1 3.09Å; K774-E778 IonicContact NZ-OE1 3.61Å; K774-E778 WeakPolarHBondContact O-CB 3.37Å; K774-E778 WeakPolarHBondContact O-CG 3.5Å; K774-E778 PolarHBondContact O-N 2.82Å
775D55Low56Low61 Ų6153.1 Ų53.133%0.32628%0.28SS..Hα-helixtrans-62.1-45.5177.9-64.7-13.8000111T771 Y772 V777 E778 E779T771-D775 WeakPolarHBondContact O-CB 3.43Å; T771-D775 PolarHBondContact O-N 2.79Å; Y772-D775 PolarHBondContact O-N 3.13Å; D775-V777 VanDerWaalsContact C-N 3.33Å; D775-V777 PolarHBondContact O-N 3.06Å; D775-E778 CarbonylContact O-C 3.59Å; D775-E778 PolarHBondContact O-N 3.04Å; D775-E779 WeakPolarHBondContact O-CA 3.48Å; D775-E779 WeakPolarHBondContact O-CB 3.39Å; D775-E779 WeakPolarHBondContact O-CG 3.47Å; D775-E779 PolarHBondContact O-N 3.48Å
776A50.1Low54.2Low27 Ų2756.1 Ų56.122%0.22330%0.296CS..Hα-helixtrans-64.5-36.3176.500000112.1Y772 E778 G780Y772-A776 HydrophobicContact CD1-CB 4.27Å; Y772-A776 HydrophobicContact CE1-CB 4.13Å; Y772-A776 WeakPolarHBondContact O-CB 3.42Å; Y772-A776 PolarHBondContact O-N 3.36Å; A776-E778 VanDerWaalsContact C-N 3.35Å; A776-G780 PolarHBondContact O-N 3.35Å
777V48.6Very low52.8Low27 Ų2759.6 Ų59.616%0.16432%0.32CS..Hα-helixtrans-71.8-28.6172.5171.90000111.7I773 K774 D775 L789I773-V777 HydrophobicContact CG2-CG2 4.29Å; I773-V777 WeakPolarHBondContact O-CB 3.23Å; I773-V777 WeakPolarHBondContact O-CG2 3.3Å; I773-V777 PolarHBondContact O-N 3.19Å; K774-V777 CarbonylContact O-C 3.39Å; K774-V777 PolarHBondContact O-N 2.84Å; D775-V777 VanDerWaalsContact C-N 3.33Å; D775-V777 PolarHBondContact O-N 3.06Å; V777-L789 HydrophobicContact CG2-CD2 4.47Å
778E43.2Very low51.4Low96 Ų9657 Ų5745%0.44931%0.31SS..Hα-helixtrans-92.7-28.2-178.2-74.4176.6-179.100114.5K774 D775 A776 L1386K774-E778 VanDerWaalsContact CE-CD 3.5Å; K774-E778 WeakPolarHBondContact CE-OE1 3.32Å; K774-E778 HydrophobicContact CG-CG 4.33Å; K774-E778 VanDerWaalsContact CG-OE1 3.29Å; K774-E778 WeakPolarHBondContact CG-OE1 3.09Å; K774-E778 IonicContact NZ-OE1 3.61Å; K774-E778 WeakPolarHBondContact O-CB 3.37Å; K774-E778 WeakPolarHBondContact O-CG 3.5Å; K774-E778 PolarHBondContact O-N 2.82Å; D775-E778 CarbonylContact O-C 3.59Å; D775-E778 PolarHBondContact O-N 3.04Å; A776-E778 VanDerWaalsContact C-N 3.35Å; E778-L1386 WeakPolarHBondContact O-CD1 3.43Å
779E38.2Very low50.5Low109 Ų10956.4 Ų56.451%0.50931%0.307SS..Hα-helixtrans-100.5-23.1-176.5-68.5-171.1154.200112.4D775 E781D775-E779 WeakPolarHBondContact O-CA 3.48Å; D775-E779 WeakPolarHBondContact O-CB 3.39Å; D775-E779 WeakPolarHBondContact O-CG 3.47Å; D775-E779 PolarHBondContact O-N 3.48Å; E779-E781 VanDerWaalsContact C-N 3.32Å; E779-E781 PolarHBondContact O-N 3.06Å
780G44.9Very low49.7Very low37 Ų3761.2 Ų61.238%0.38133%0.33SS..  trans60.236.917700000114.1A776A776-G780 PolarHBondContact O-N 3.35Å
781E36Very low49.2Very low130 Ų13063.7 Ų63.761%0.60734%0.341SS*.  trans-63.7151.2167.8-69.4-166.5150.600110.9E779E779-E781 VanDerWaalsContact C-N 3.32Å; E779-E781 PolarHBondContact O-N 3.06Å
782D35.8Very low49Very low110 Ų11061.4 Ų61.459%0.58833%0.327SS*.  trans-33.5126.1-163.1-67.9-39.4000116.4S784 D785D782-S784 PolarHBondContact O-N 3.21Å; D782-D785 PolarHBondContact O-N 3.06Å
783I34.4Very low49Very low65 Ų6559.4 Ų59.433%0.33332%0.319SS..THydrogen-bonded Turntrans-61.3-5.9-174.1-61.9163.3000113.8D785 D786 A1453I783-D785 PolarHBondContact O-N 3.05Å; I783-D786 HydrophobicContact CG2-CB 4.12Å; I783-D786 WeakPolarHBondContact O-CB 3.37Å; I783-D786 PolarHBondContact O-N 3.06Å; I783-A1453 HydrophobicContact CD1-CB 4.26Å; I783-A1453 WeakPolarHBondContact CD1-O 3.27Å; I783-A1453 VanDerWaalsContact CG2-C 3.42Å; I783-A1453 VanDerWaalsContact CG2-O 3.29Å; I783-A1453 WeakPolarHBondContact CG2-O 3.44Å
784S37.3Very low49.1Very low49 Ų4963.1 Ų63.134%0.34334%0.339SS..Hα-helixtrans-59.5-29.9164.271.90000113S703 D782 D786 S787S703-S784 PolarHBondContact OG-OG 2.89Å; D782-S784 PolarHBondContact O-N 3.21Å; S784-D786 PolarHBondContact O-N 2.96Å; S784-S787 PolarHBondContact O-N 3.33Å; S784-S787 PolarHBondContact O-OG 3.48Å
785D40.3Very low49.2Very low51 Ų5160.9 Ų60.927%0.27333%0.332SS..Hα-helixtrans-70.5-16.5174.3-98.617.9000112.1Y772 D782 I783 S787 V788 L789Y772-D785 PolarHBondContact OH-OD2 3.23Å; D782-D785 PolarHBondContact O-N 3.06Å; I783-D785 PolarHBondContact O-N 3.05Å; D785-S787 VanDerWaalsContact C-N 3.3Å; D785-S787 PolarHBondContact O-N 3.38Å; D785-V788 CarbonylContact O-C 3.47Å; D785-V788 WeakPolarHBondContact O-CB 3.49Å; D785-V788 PolarHBondContact O-N 3.22Å; D785-V788 VanDerWaalsContact O-N 3.14Å; D785-L789 WeakPolarHBondContact O-CB 3.4Å; D785-L789 PolarHBondContact O-N 3.31Å
786D45.6Very low49.6Very low62 Ų6258 Ų5833%0.33232%0.316SS..Hα-helixtrans-69.1-30.5178.9-133.621.3000111.2I783 S784 L789 E790 R811I783-D786 HydrophobicContact CG2-CB 4.12Å; I783-D786 WeakPolarHBondContact O-CB 3.37Å; I783-D786 PolarHBondContact O-N 3.06Å; S784-D786 PolarHBondContact O-N 2.96Å; D786-L789 PolarHBondContact O-N 2.9Å; D786-L789 WeakPolarHBondContact OD1-CD2 3.46Å; D786-E790 WeakPolarHBondContact O-CB 3.4Å; D786-E790 PolarHBondContact O-N 3.35Å; D786-R811 IonicContact OD1-NH2 3.6Å; D786-R811 IonicContact OD2-NH2 3.15Å
787S48.2Very low50.3Low77 Ų7760.9 Ų60.954%0.53833%0.325SS..Hα-helixtrans-63.6-42.5170.7690000111.8S784 D785 E791S784-S787 PolarHBondContact O-N 3.33Å; S784-S787 PolarHBondContact O-OG 3.48Å; D785-S787 VanDerWaalsContact C-N 3.3Å; D785-S787 PolarHBondContact O-N 3.38Å; S787-E791 WeakPolarHBondContact O-CB 3.31Å; S787-E791 PolarHBondContact O-N 3.4Å
788V49.6Very low50.9Low27 Ų2765.6 Ų65.616%0.16435%0.354CS..Hα-helixtrans-70-39.6175.8176.40000110.3D785 E791 V792D785-V788 CarbonylContact O-C 3.47Å; D785-V788 WeakPolarHBondContact O-CB 3.49Å; D785-V788 PolarHBondContact O-N 3.22Å; D785-V788 VanDerWaalsContact O-N 3.14Å; V788-E791 CarbonylContact O-C 3.57Å; V788-E791 WeakPolarHBondContact O-CB 3.32Å; V788-E791 PolarHBondContact O-N 3.33Å; V788-V792 HydrophobicContact CG1-CG2 4.29Å; V788-V792 VanDerWaalsContact O-CB 3.31Å; V788-V792 WeakPolarHBondContact O-CB 3.23Å; V788-V792 WeakPolarHBondContact O-CG2 3.12Å; V788-V792 PolarHBondContact O-N 3.37Å
789L55.2Low51.8Low12 Ų1263.6 Ų63.66%0.06335%0.348CS..Hα-helixtrans-64-43.9177.5-163.478000110.1I773 V777 D785 D786 V792 L793I773-L789 HydrophobicContact CB-CD1 4.22Å; I773-L789 HydrophobicContact CG1-CD1 3.61Å; I773-L789 HydrophobicContact CG2-CD1 4.27Å; V777-L789 HydrophobicContact CG2-CD2 4.47Å; D785-L789 WeakPolarHBondContact O-CB 3.4Å; D785-L789 PolarHBondContact O-N 3.31Å; D786-L789 PolarHBondContact O-N 2.9Å; D786-L789 WeakPolarHBondContact OD1-CD2 3.46Å; L789-V792 CarbonylContact O-C 3.58Å; L789-V792 PolarHBondContact O-N 3.12Å; L789-L793 HydrophobicContact CD2-CD1 4.47Å; L789-L793 HydrophobicContact CG-CD1 4.21Å; L789-L793 VanDerWaalsContact O-CB 3.23Å; L789-L793 WeakPolarHBondContact O-CB 3.17Å; L789-L793 WeakPolarHBondContact O-CG 3.42Å; L789-L793 PolarHBondContact O-N 3.02Å
790E57.8Low53.1Low102 Ų10258.8 Ų58.848%0.47733%0.326SS..Hα-helixtrans-68.2-39.8176.6-160.7164.1-122.500110.3D786 L793 N794D786-E790 WeakPolarHBondContact O-CB 3.4Å; D786-E790 PolarHBondContact O-N 3.35Å; E790-L793 PolarHBondContact O-N 2.95Å; E790-N794 VanDerWaalsContact O-CB 3.26Å; E790-N794 WeakPolarHBondContact O-CB 3.32Å; E790-N794 PolarHBondContact O-N 3.4Å; E790-N794 PolarHBondContact O-ND2 2.67Å
791E59.2Low53.9Low99 Ų9960.7 Ų60.746%0.46333%0.33SS..Hα-helixtrans-63.6-38.8170.7-140.3-160.3132.500112.5K736 S787 V788 D795K736-E791 PolarHBondContact NZ-O 3.13Å; K736-E791 IonicContact NZ-OE1 3.25Å; K736-E791 PolarHBondContact NZ-OE1 3.02Å; S787-E791 WeakPolarHBondContact O-CB 3.31Å; S787-E791 PolarHBondContact O-N 3.4Å; V788-E791 CarbonylContact O-C 3.57Å; V788-E791 WeakPolarHBondContact O-CB 3.32Å; V788-E791 PolarHBondContact O-N 3.33Å; E791-D795 WeakPolarHBondContact O-CB 3.45Å; E791-D795 VanDerWaalsContact O-CG 3.27Å; E791-D795 PolarHBondContact O-N 2.88Å; E791-D795 VanDerWaalsContact O-N 3.08Å
792V62.9Low55.2Low3 Ų357.9 Ų57.92%0.01832%0.319CS..Hα-helixtrans-71.6-40.9176.6168.70000109.9I769 I773 V788 L789 D795 V796I769-V792 HydrophobicContact CG2-CG1 3.81Å; I773-V792 HydrophobicContact CD1-CG1 4.38Å; V788-V792 HydrophobicContact CG1-CG2 4.29Å; V788-V792 VanDerWaalsContact O-CB 3.31Å; V788-V792 WeakPolarHBondContact O-CB 3.23Å; V788-V792 WeakPolarHBondContact O-CG2 3.12Å; V788-V792 PolarHBondContact O-N 3.37Å; L789-V792 CarbonylContact O-C 3.58Å; L789-V792 PolarHBondContact O-N 3.12Å; V792-D795 PolarHBondContact O-N 3.28Å; V792-V796 HydrophobicContact CG1-CG2 4.28Å; V792-V796 WeakPolarHBondContact O-CB 3.41Å; V792-V796 WeakPolarHBondContact O-CG2 3.33Å; V792-V796 PolarHBondContact O-N 3.48Å
793L64.3Low56.5Low8 Ų853.2 Ų53.24%0.04229%0.294CS..Hα-helixtrans-65.1-43.3176.1-78.5167.2000111.3I773 L789 E790 D795 V796 E797 F804 L807I773-L793 HydrophobicContact CD1-CD2 4.12Å; I773-L793 HydrophobicContact CD1-CG 4.49Å; L789-L793 HydrophobicContact CD2-CD1 4.47Å; L789-L793 HydrophobicContact CG-CD1 4.21Å; L789-L793 VanDerWaalsContact O-CB 3.23Å; L789-L793 WeakPolarHBondContact O-CB 3.17Å; L789-L793 WeakPolarHBondContact O-CG 3.42Å; L789-L793 PolarHBondContact O-N 3.02Å; E790-L793 PolarHBondContact O-N 2.95Å; L793-D795 VanDerWaalsContact C-N 3.33Å; L793-V796 CarbonylContact O-C 3.48Å; L793-V796 WeakPolarHBondContact O-CB 3.26Å; L793-V796 PolarHBondContact O-N 3.33Å; L793-E797 PolarHBondContact O-N 3.28Å; L793-F804 HydrophobicContact CB-CE2 4.33Å; L793-F804 HydrophobicContact CD2-CD2 4.46Å; L793-F804 VanDerWaalsContact O-CD2 3.31Å; L793-F804 WeakPolarHBondContact O-CD2 3.35Å; L793-L807 HydrophobicContact CD2-CB 3.78Å; L793-L807 HydrophobicContact CD2-CD1 4.03Å
794N63.8Low57.9Low81 Ų8152.3 Ų52.343%0.43329%0.288SS..Hα-helixtrans-60.7-43.4173.9-73.5-22.1000110.8E790 V796 E797 V798E790-N794 VanDerWaalsContact O-CB 3.26Å; E790-N794 WeakPolarHBondContact O-CB 3.32Å; E790-N794 PolarHBondContact O-N 3.4Å; E790-N794 PolarHBondContact O-ND2 2.67Å; N794-V796 VanDerWaalsContact C-N 3.33Å; N794-V796 PolarHBondContact O-N 3.07Å; N794-E797 WeakPolarHBondContact O-CB 3.32Å; N794-E797 PolarHBondContact O-N 2.92Å; N794-V798 WeakPolarHBondContact O-CG2 3.44Å; N794-V798 PolarHBondContact O-N 3.21Å
795D63.3Low59.2Low46 Ų4657.2 Ų57.225%0.24630%0.299CS..Hα-helixtrans-63.4-40.8173.9-77.46.3000111.7K736 Y755 L759 E791 V792 L793 E797 V798 V799K736-D795 WeakPolarHBondContact CD-OD2 3.34Å; K736-D795 WeakPolarHBondContact CE-OD2 2.89Å; K736-D795 IonicContact NZ-OD1 2.7Å; K736-D795 PolarHBondContact NZ-OD1 3.42Å; K736-D795 IonicContact NZ-OD2 2.71Å; K736-D795 PolarHBondContact NZ-OD2 3.46Å; Y755-D795 HydrophobicContact CE1-CB 4.19Å; Y755-D795 VanDerWaalsContact CE1-OD2 3.31Å; Y755-D795 WeakPolarHBondContact CE1-OD2 3.21Å; L759-D795 HydrophobicContact CD2-CB 4.11Å; E791-D795 WeakPolarHBondContact O-CB 3.45Å; E791-D795 VanDerWaalsContact O-CG 3.27Å; E791-D795 PolarHBondContact O-N 2.88Å; E791-D795 VanDerWaalsContact O-N 3.08Å; V792-D795 PolarHBondContact O-N 3.28Å; L793-D795 VanDerWaalsContact C-N 3.33Å; D795-E797 VanDerWaalsContact C-N 3.29Å; D795-E797 PolarHBondContact O-N 3.3Å; D795-V798 PolarHBondContact O-N 2.72Å; D795-V799 VanDerWaalsContact O-CB 3.24Å; D795-V799 WeakPolarHBondContact O-CB 3.47Å; D795-V799 WeakPolarHBondContact O-CG2 3.46Å; D795-V799 PolarHBondContact O-N 2.87Å
796V63.3Low60.1Low0 Ų062.4 Ų62.40%031%0.314CS..Hα-helixtrans-64.2-35.7174.9-179.80000110.8L759 V792 L793 N794 N800 L803 F804 L807L759-V796 HydrophobicContact CD1-CG2 3.83Å; L759-V796 HydrophobicContact CD2-CG2 4.05Å; L759-V796 HydrophobicContact CG-CG2 4.34Å; V792-V796 HydrophobicContact CG1-CG2 4.28Å; V792-V796 WeakPolarHBondContact O-CB 3.41Å; V792-V796 WeakPolarHBondContact O-CG2 3.33Å; V792-V796 PolarHBondContact O-N 3.48Å; L793-V796 CarbonylContact O-C 3.48Å; L793-V796 WeakPolarHBondContact O-CB 3.26Å; L793-V796 PolarHBondContact O-N 3.33Å; N794-V796 VanDerWaalsContact C-N 3.33Å; N794-V796 PolarHBondContact O-N 3.07Å; V796-N800 CarbonylContact O-C 3.55Å; V796-N800 VanDerWaalsContact O-CA 3.22Å; V796-N800 WeakPolarHBondContact O-CA 3.5Å; V796-N800 PolarHBondContact O-N 2.97Å; V796-N800 VanDerWaalsContact O-O 3.07Å; V796-L803 HydrophobicContact CG1-CB 3.75Å; V796-L803 HydrophobicContact CG1-CD2 3.65Å; V796-L803 HydrophobicContact CG1-CG 3.66Å; V796-L803 HydrophobicContact CG2-CD2 4.5Å; V796-F804 HydrophobicContact CG1-CB 4.07Å; V796-L807 HydrophobicContact CB-CD1 4.3Å; V796-L807 HydrophobicContact CG1-CD1 3.8Å; V796-L807 HydrophobicContact CG2-CD1 4.1Å
797E64.8Low60.8Low87 Ų8759.4 Ų59.441%0.40730%0.299SS..Hα-helixtrans-62.5-51.1175-168.9178-17700111L793 N794 D795 V799 V801 F804L793-E797 PolarHBondContact O-N 3.28Å; N794-E797 WeakPolarHBondContact O-CB 3.32Å; N794-E797 PolarHBondContact O-N 2.92Å; D795-E797 VanDerWaalsContact C-N 3.29Å; D795-E797 PolarHBondContact O-N 3.3Å; E797-V799 PolarHBondContact O-N 3.24Å; E797-V801 VanDerWaalsContact O-CG2 3.3Å; E797-V801 WeakPolarHBondContact O-CG2 3.25Å; E797-F804 HydrophobicContact CB-CB 4.18Å; E797-F804 HydrophobicContact CB-CD1 4.17Å; E797-F804 HydrophobicContact CB-CD2 3.61Å; E797-F804 HydrophobicContact CB-CE1 4.45Å; E797-F804 HydrophobicContact CB-CE2 3.91Å; E797-F804 HydrophobicContact CB-CG 3.72Å; E797-F804 HydrophobicContact CB-CZ 4.32Å; E797-F804 HydrophobicContact CG-CD1 3.84Å; E797-F804 HydrophobicContact CG-CD2 4.18Å; E797-F804 HydrophobicContact CG-CE1 3.99Å; E797-F804 HydrophobicContact CG-CE2 4.3Å; E797-F804 HydrophobicContact CG-CG 3.92Å; E797-F804 HydrophobicContact CG-CZ 4.21Å
798V61.8Low61.5Low126 Ų12657.5 Ų57.576%0.76429%0.285SS*.Hα-helixtrans-63.9-41.5-179.1174.80000111.5N794 D795N794-V798 WeakPolarHBondContact O-CG2 3.44Å; N794-V798 PolarHBondContact O-N 3.21Å; D795-V798 PolarHBondContact O-N 2.72Å
799V61.1Low61.9Low54 Ų5458.7 Ų58.733%0.32730%0.295SS..Hα-helixtrans-91.6-31.7-171.8-179.70000112.4L759 A760 D795 E797L759-V799 HydrophobicContact CB-CG1 4.07Å; L759-V799 HydrophobicContact CD2-CB 4.04Å; L759-V799 HydrophobicContact CD2-CG1 4.35Å; L759-V799 HydrophobicContact CD2-CG2 4.25Å; L759-V799 HydrophobicContact CG-CB 4.39Å; L759-V799 HydrophobicContact CG-CG1 4.26Å; A760-V799 HydrophobicContact CB-CG1 3.67Å; D795-V799 VanDerWaalsContact O-CB 3.24Å; D795-V799 WeakPolarHBondContact O-CB 3.47Å; D795-V799 WeakPolarHBondContact O-CG2 3.46Å; D795-V799 PolarHBondContact O-N 2.87Å; E797-V799 PolarHBondContact O-N 3.24Å
800N64.4Low61.8Low9 Ų959.9 Ų59.95%0.04830%0.301CS..  trans-153.873.1-172-169-4.3000113.2R762 V796 N802 L803 F804R762-N800 WeakPolarHBondContact CG-ND2 3.45Å; R762-N800 PolarHBondContact NE-ND2 3.1Å; R762-N800 PolarHBondContact NE-OD1 3.2Å; R762-N800 PolarHBondContact NH2-OD1 3.35Å; V796-N800 CarbonylContact O-C 3.55Å; V796-N800 VanDerWaalsContact O-CA 3.22Å; V796-N800 WeakPolarHBondContact O-CA 3.5Å; V796-N800 PolarHBondContact O-N 2.97Å; V796-N800 VanDerWaalsContact O-O 3.07Å; N800-N802 PolarHBondContact O-N 3.47Å; N800-L803 HydrophobicContact CB-CB 4.06Å; N800-L803 VanDerWaalsContact CG-CB 3.48Å; N800-L803 WeakPolarHBondContact ND2-CB 3.49Å; N800-L803 WeakPolarHBondContact O-CB 3.36Å; N800-L803 PolarHBondContact O-N 3.4Å; N800-L803 PolarHBondContact OD1-N 3.18Å; N800-F804 PolarHBondContact O-N 2.85Å
801V63.1Low61.3Low76 Ų7659.1 Ų59.146%0.46129%0.294SS..Hα-helixtrans-45.9-33.1179.4-175.40000114.7E797 R805E797-V801 VanDerWaalsContact O-CG2 3.3Å; E797-V801 WeakPolarHBondContact O-CG2 3.25Å; V801-R805 WeakPolarHBondContact O-CB 2.91Å; V801-R805 PolarHBondContact O-N 3.37Å
802N63.3Low61Low71 Ų7157.1 Ų57.138%0.3829%0.29SS..Hα-helixtrans-77.3-36.1178.2-64.6-16.3000113R762 N800 F804 R805 R806R762-N802 PolarHBondContact NH2-ND2 3.23Å; R762-N802 VanDerWaalsContact NH2-ND2 3.11Å; N800-N802 PolarHBondContact O-N 3.47Å; N802-F804 VanDerWaalsContact C-N 3.34Å; N802-R805 PolarHBondContact O-N 3.06Å; N802-R805 PolarHBondContact OD1-NH2 3.4Å; N802-R806 PolarHBondContact O-N 3.48Å
803L62.7Low60.1Low13 Ų1360.9 Ų60.97%0.06831%0.314CS..Hα-helixtrans-66.8-42.2172-178.166.8000109L759 A766 V796 N800 R805 R806 L807L759-L803 HydrophobicContact CD1-CD2 4.48Å; A766-L803 HydrophobicContact CB-CD2 3.89Å; V796-L803 HydrophobicContact CG1-CB 3.75Å; V796-L803 HydrophobicContact CG1-CD2 3.65Å; V796-L803 HydrophobicContact CG1-CG 3.66Å; V796-L803 HydrophobicContact CG2-CD2 4.5Å; N800-L803 HydrophobicContact CB-CB 4.06Å; N800-L803 VanDerWaalsContact CG-CB 3.48Å; N800-L803 WeakPolarHBondContact ND2-CB 3.49Å; N800-L803 WeakPolarHBondContact O-CB 3.36Å; N800-L803 PolarHBondContact O-N 3.4Å; N800-L803 PolarHBondContact OD1-N 3.18Å; L803-R805 VanDerWaalsContact C-N 3.33Å; L803-R805 PolarHBondContact O-N 3.46Å; L803-R806 PolarHBondContact O-N 2.78Å; L803-R806 VanDerWaalsContact O-N 3.08Å; L803-L807 HydrophobicContact CD1-CD1 4.4Å; L803-L807 HydrophobicContact CD1-CG 4.37Å; L803-L807 HydrophobicContact CD2-CD1 4.43Å; L803-L807 HydrophobicContact CG-CD1 3.84Å; L803-L807 HydrophobicContact CG-CG 4.26Å; L803-L807 WeakPolarHBondContact O-CB 3.49Å; L803-L807 VanDerWaalsContact O-CG 3.26Å; L803-L807 WeakPolarHBondContact O-CG 3.46Å; L803-L807 PolarHBondContact O-N 3.01Å
804F64.6Low59Low46 Ų4662.6 Ų62.620%0.20232%0.324CS..Hα-helixtrans-57.7-44.9171179.7-100.3000111.4L793 V796 E797 N800 N802 R806 L807 S808L793-F804 HydrophobicContact CB-CE2 4.33Å; L793-F804 HydrophobicContact CD2-CD2 4.46Å; L793-F804 VanDerWaalsContact O-CD2 3.31Å; L793-F804 WeakPolarHBondContact O-CD2 3.35Å; V796-F804 HydrophobicContact CG1-CB 4.07Å; E797-F804 HydrophobicContact CB-CB 4.18Å; E797-F804 HydrophobicContact CB-CD1 4.17Å; E797-F804 HydrophobicContact CB-CD2 3.61Å; E797-F804 HydrophobicContact CB-CE1 4.45Å; E797-F804 HydrophobicContact CB-CE2 3.91Å; E797-F804 HydrophobicContact CB-CG 3.72Å; E797-F804 HydrophobicContact CB-CZ 4.32Å; E797-F804 HydrophobicContact CG-CD1 3.84Å; E797-F804 HydrophobicContact CG-CD2 4.18Å; E797-F804 HydrophobicContact CG-CE1 3.99Å; E797-F804 HydrophobicContact CG-CE2 4.3Å; E797-F804 HydrophobicContact CG-CG 3.92Å; E797-F804 HydrophobicContact CG-CZ 4.21Å; N800-F804 PolarHBondContact O-N 2.85Å; N802-F804 VanDerWaalsContact C-N 3.34Å; F804-R806 VanDerWaalsContact C-N 3.29Å; F804-R806 PolarHBondContact O-N 3.47Å; F804-L807 PolarHBondContact O-N 3.29Å; F804-S808 WeakPolarHBondContact O-CA 3.36Å; F804-S808 WeakPolarHBondContact O-CB 3.29Å; F804-S808 PolarHBondContact O-N 2.94Å; F804-S808 PolarHBondContact O-OG 2.79Å
805R63.7Low57.8Low152 Ų15261.1 Ų61.157%0.57432%0.32SS*.Hα-helixtrans-59.8-35.7175-116.4-177.9-77.9142.4-1.8112.9V801 N802 L803 S808 S809V801-R805 WeakPolarHBondContact O-CB 2.91Å; V801-R805 PolarHBondContact O-N 3.37Å; N802-R805 PolarHBondContact O-N 3.06Å; N802-R805 PolarHBondContact OD1-NH2 3.4Å; L803-R805 VanDerWaalsContact C-N 3.33Å; L803-R805 PolarHBondContact O-N 3.46Å; R805-S808 VanDerWaalsContact CA-OG 3.3Å; R805-S808 WeakPolarHBondContact CA-OG 3.17Å; R805-S808 PolarHBondContact O-OG 3.07Å; R805-S809 WeakPolarHBondContact O-CB 3.43Å; R805-S809 PolarHBondContact O-N 2.93Å; R805-S809 PolarHBondContact O-OG 2.88Å
806R60.1Low56.4Low159 Ų15961.5 Ų61.560%0.633%0.327SS*.Hα-helixtrans-72.1-46.8174-79.6-175.9-178175.2-0.6112.5N802 L803 F804 S809 I810N802-R806 PolarHBondContact O-N 3.48Å; L803-R806 PolarHBondContact O-N 2.78Å; L803-R806 VanDerWaalsContact O-N 3.08Å; F804-R806 VanDerWaalsContact C-N 3.29Å; F804-R806 PolarHBondContact O-N 3.47Å; R806-S809 WeakPolarHBondContact CA-OG 3.27Å; R806-S809 CarbonylContact O-C 3.5Å; R806-S809 WeakPolarHBondContact O-CA 3.37Å; R806-S809 WeakPolarHBondContact O-CB 3.4Å; R806-S809 PolarHBondContact O-N 3.04Å; R806-S809 VanDerWaalsContact O-N 3.09Å; R806-S809 PolarHBondContact O-OG 3.06Å; R806-I810 WeakPolarHBondContact O-CG1 3.34Å; R806-I810 PolarHBondContact O-N 3.17Å
807L60.2Low54.7Low0 Ų069 Ų690%036%0.361CS..Hα-helixtrans-65.6-44.1179-66.2169.7000112E770 I773 L793 V796 L803 F804 S809 I810 R811E770-L807 HydrophobicContact CB-CD2 3.92Å; E770-L807 HydrophobicContact CG-CD2 3.78Å; I773-L807 HydrophobicContact CB-CD2 4.11Å; I773-L807 HydrophobicContact CD1-CD1 3.6Å; I773-L807 HydrophobicContact CD1-CD2 3.78Å; I773-L807 HydrophobicContact CD1-CG 4.23Å; I773-L807 HydrophobicContact CG2-CD2 4.12Å; L793-L807 HydrophobicContact CD2-CB 3.78Å; L793-L807 HydrophobicContact CD2-CD1 4.03Å; V796-L807 HydrophobicContact CB-CD1 4.3Å; V796-L807 HydrophobicContact CG1-CD1 3.8Å; V796-L807 HydrophobicContact CG2-CD1 4.1Å; L803-L807 HydrophobicContact CD1-CD1 4.4Å; L803-L807 HydrophobicContact CD1-CG 4.37Å; L803-L807 HydrophobicContact CD2-CD1 4.43Å; L803-L807 HydrophobicContact CG-CD1 3.84Å; L803-L807 HydrophobicContact CG-CG 4.26Å; L803-L807 WeakPolarHBondContact O-CB 3.49Å; L803-L807 VanDerWaalsContact O-CG 3.26Å; L803-L807 WeakPolarHBondContact O-CG 3.46Å; L803-L807 PolarHBondContact O-N 3.01Å; F804-L807 PolarHBondContact O-N 3.29Å; L807-S809 VanDerWaalsContact C-N 3.29Å; L807-I810 PolarHBondContact O-N 3.36Å; L807-R811 WeakPolarHBondContact O-CB 3.42Å; L807-R811 PolarHBondContact O-N 3.37Å
808S62Low53.2Low36 Ų3672.1 Ų72.125%0.25237%0.37SS..Hα-helixtrans-65.2-33169.660.30000111.3F804 R805 S812F804-S808 WeakPolarHBondContact O-CA 3.36Å; F804-S808 WeakPolarHBondContact O-CB 3.29Å; F804-S808 PolarHBondContact O-N 2.94Å; F804-S808 PolarHBondContact O-OG 2.79Å; R805-S808 VanDerWaalsContact CA-OG 3.3Å; R805-S808 WeakPolarHBondContact CA-OG 3.17Å; R805-S808 PolarHBondContact O-OG 3.07Å; S808-S812 WeakPolarHBondContact O-CA 3.47Å; S808-S812 WeakPolarHBondContact O-CB 3.38Å; S808-S812 PolarHBondContact O-N 3.38Å; S808-S812 PolarHBondContact O-OG 3.18Å
809S58Low51.6Low52 Ų5268.7 Ų68.736%0.36435%0.351SS..Hα-helixtrans-65.4-43.7171.376.40000111.9R805 R806 L807 S812 T813R805-S809 WeakPolarHBondContact O-CB 3.43Å; R805-S809 PolarHBondContact O-N 2.93Å; R805-S809 PolarHBondContact O-OG 2.88Å; R806-S809 WeakPolarHBondContact CA-OG 3.27Å; R806-S809 CarbonylContact O-C 3.5Å; R806-S809 WeakPolarHBondContact O-CA 3.37Å; R806-S809 WeakPolarHBondContact O-CB 3.4Å; R806-S809 PolarHBondContact O-N 3.04Å; R806-S809 VanDerWaalsContact O-N 3.09Å; R806-S809 PolarHBondContact O-OG 3.06Å; L807-S809 VanDerWaalsContact C-N 3.29Å; S809-S812 VanDerWaalsContact CA-OG 3.29Å; S809-S812 WeakPolarHBondContact CA-OG 3.37Å; S809-S812 CarbonylContact O-C 3.6Å; S809-S812 WeakPolarHBondContact O-CA 3.39Å; S809-S812 PolarHBondContact O-N 2.79Å; S809-S812 VanDerWaalsContact O-N 3.12Å; S809-S812 PolarHBondContact O-OG 3.05Å; S809-T813 PolarHBondContact O-N 3.33Å; S809-T813 PolarHBondContact O-OG1 2.81Å
810I54.2Low50Low37 Ų3773.6 Ų73.619%0.1938%0.375CS..Hα-helixtrans-58.8-54.6174.6-68.6163.3000108.8E770 R806 L807 S812 T813 T814E770-I810 HydrophobicContact CG-CD1 4.29Å; R806-I810 WeakPolarHBondContact O-CG1 3.34Å; R806-I810 PolarHBondContact O-N 3.17Å; L807-I810 PolarHBondContact O-N 3.36Å; I810-S812 PolarHBondContact O-N 3.41Å; I810-T813 WeakPolarHBondContact CA-OG1 3.35Å; I810-T813 PolarHBondContact O-N 2.94Å; I810-T813 VanDerWaalsContact O-N 3.11Å; I810-T813 PolarHBondContact O-OG1 2.72Å; I810-T814 PolarHBondContact O-N 3.17Å; I810-T814 PolarHBondContact O-OG1 3.05Å
811R47.2Very low48.4Very low87 Ų8784 Ų8433%0.32841%0.413SS..Hα-helixtrans-55.5-38.8174.3-160.8180-169.4-1684.9111.1D786 L807 S815D786-R811 IonicContact OD1-NH2 3.6Å; D786-R811 IonicContact OD2-NH2 3.15Å; L807-R811 WeakPolarHBondContact O-CB 3.42Å; L807-R811 PolarHBondContact O-N 3.37Å; R811-S815 WeakPolarHBondContact O-CA 3.39Å; R811-S815 WeakPolarHBondContact O-CB 3.3Å; R811-S815 PolarHBondContact O-N 2.87Å; R811-S815 PolarHBondContact O-OG 3.07Å
812S51.5Low46.8Very low56 Ų5686 Ų8639%0.39243%0.426SS..Hα-helixtrans-75.1-32.2178.8800000113.1S808 S809 I810 S815 S816S808-S812 WeakPolarHBondContact O-CA 3.47Å; S808-S812 WeakPolarHBondContact O-CB 3.38Å; S808-S812 PolarHBondContact O-N 3.38Å; S808-S812 PolarHBondContact O-OG 3.18Å; S809-S812 VanDerWaalsContact CA-OG 3.29Å; S809-S812 WeakPolarHBondContact CA-OG 3.37Å; S809-S812 CarbonylContact O-C 3.6Å; S809-S812 WeakPolarHBondContact O-CA 3.39Å; S809-S812 PolarHBondContact O-N 2.79Å; S809-S812 VanDerWaalsContact O-N 3.12Å; S809-S812 PolarHBondContact O-OG 3.05Å; I810-S812 PolarHBondContact O-N 3.41Å; S812-S815 VanDerWaalsContact CA-OG 3.27Å; S812-S815 WeakPolarHBondContact CA-OG 3.49Å; S812-S815 CarbonylContact O-C 3.57Å; S812-S816 VanDerWaalsContact O-CA 3.27Å; S812-S816 WeakPolarHBondContact O-CA 3.31Å; S812-S816 WeakPolarHBondContact O-CB 3.45Å; S812-S816 PolarHBondContact O-N 3.22Å; S812-S816 PolarHBondContact O-OG 2.77Å
813T45.2Very low44.8Very low83 Ų8393.5 Ų93.551%0.50945%0.449SS..Hα-helixtrans-70.4-47.4175.830.10000109.9S809 I810 S816 E817S809-T813 PolarHBondContact O-N 3.33Å; S809-T813 PolarHBondContact O-OG1 2.81Å; I810-T813 WeakPolarHBondContact CA-OG1 3.35Å; I810-T813 PolarHBondContact O-N 2.94Å; I810-T813 VanDerWaalsContact O-N 3.11Å; I810-T813 PolarHBondContact O-OG1 2.72Å; T813-S816 WeakPolarHBondContact CA-OG 3.33Å; T813-S816 PolarHBondContact O-N 3.24Å; T813-S816 PolarHBondContact O-OG 2.98Å; T813-E817 PolarHBondContact O-N 3.22Å
814T41.5Very low43Very low44 Ų44101.2 Ų101.227%0.2748%0.484SS..Hα-helixtrans-69.7-36.5174.650000112.2I810 R818I810-T814 PolarHBondContact O-N 3.17Å; I810-T814 PolarHBondContact O-OG1 3.05Å; T814-R818 WeakPolarHBondContact O-CG 3.45Å; T814-R818 PolarHBondContact O-N 2.94Å
815S37.5Very low41.2Very low50 Ų50107.7 Ų107.735%0.3552%0.515SS..Hα-helixtrans-78.3-19.3173.667.50000113.5R811 S812 R818 S819R811-S815 WeakPolarHBondContact O-CA 3.39Å; R811-S815 WeakPolarHBondContact O-CB 3.3Å; R811-S815 PolarHBondContact O-N 2.87Å; R811-S815 PolarHBondContact O-OG 3.07Å; S812-S815 VanDerWaalsContact CA-OG 3.27Å; S812-S815 WeakPolarHBondContact CA-OG 3.49Å; S812-S815 CarbonylContact O-C 3.57Å; S815-R818 CarbonylContact O-C 3.42Å; S815-R818 PolarHBondContact O-N 3Å; S815-S819 WeakPolarHBondContact O-CA 3.49Å; S815-S819 WeakPolarHBondContact O-CB 3.29Å; S815-S819 PolarHBondContact O-N 2.96Å; S815-S819 PolarHBondContact O-OG 2.91Å
816S34Very low39.4Very low54 Ų54105.7 Ų105.738%0.37852%0.524SS..Hα-helixtrans-76.5-31.9174.564.20000111.7S812 T813 R818 S819 L820S812-S816 VanDerWaalsContact O-CA 3.27Å; S812-S816 WeakPolarHBondContact O-CA 3.31Å; S812-S816 WeakPolarHBondContact O-CB 3.45Å; S812-S816 PolarHBondContact O-N 3.22Å; S812-S816 PolarHBondContact O-OG 2.77Å; T813-S816 WeakPolarHBondContact CA-OG 3.33Å; T813-S816 PolarHBondContact O-N 3.24Å; T813-S816 PolarHBondContact O-OG 2.98Å; S816-R818 VanDerWaalsContact C-N 3.32Å; S816-S819 WeakPolarHBondContact CA-OG 3.35Å; S816-L820 PolarHBondContact O-N 3.22Å
817E28.6Very low37.5Very low156 Ų156106.6 Ų106.673%0.72954%0.535SS*.Hα-helixtrans-68.1-32.8165.3-69.9-173164.900111.7T813T813-E817 PolarHBondContact O-N 3.22Å
818R32.8Very low35.7Very low154 Ų154112.6 Ų112.658%0.58157%0.572SS**Hα-helixtrans-79.8-32.6174.6-69.8177.2174.5174.91.7114.3T814 S815 S816 R821T814-R818 WeakPolarHBondContact O-CG 3.45Å; T814-R818 PolarHBondContact O-N 2.94Å; S815-R818 CarbonylContact O-C 3.42Å; S815-R818 PolarHBondContact O-N 3Å; S816-R818 VanDerWaalsContact C-N 3.32Å; R818-R821 PolarHBondContact O-N 3.34Å
819S28.9Very low33.9Very low53 Ų53115.8 Ų115.837%0.37159%0.594SS.*Hα-helixtrans-93.5-4.5-170.358.60000114.3S815 S816 R821S815-S819 WeakPolarHBondContact O-CA 3.49Å; S815-S819 WeakPolarHBondContact O-CB 3.29Å; S815-S819 PolarHBondContact O-N 2.96Å; S815-S819 PolarHBondContact O-OG 2.91Å; S816-S819 WeakPolarHBondContact CA-OG 3.35Å; S819-R821 PolarHBondContact O-N 3.24Å
820L27.6Very low32.1Very low158 Ų158122.7 Ų122.783%0.82762%0.618SS**THydrogen-bonded Turntrans-66.2-14.5159.5-84.2160000112.6S816S816-L820 PolarHBondContact O-N 3.22Å
821R28.9Very low30.6Very low226 Ų226126.8 Ų126.885%0.85365%0.645SS**SBendtrans-100.4-7.3-177.3-73.6-171.8171.1179.1-0.3116.5R818 S819R818-R821 PolarHBondContact O-N 3.34Å; S819-R821 PolarHBondContact O-N 3.24Å
822T29.7Very low29.4Very low118 Ų118130.7 Ų130.772%0.72467%0.667SS**SBendtrans-141.226.3-171.5-110000115.7
823R22.5Very low27.9Very low230 Ų230132.6 Ų132.687%0.86868%0.68SS**  trans-100.547.7171.8-89.9-173.6170.6-179.5-0113.6
824Q23.8Very low26.9Very low174 Ų174137.3 Ų137.381%0.81370%0.696SS**  trans-124.8127.3154.8-74.5-172.1-8.600108.6
825H26.9Very low25.9Very low183 Ų183142.9 Ų142.985%0.84772%0.719SS**SBendtrans95.7121170.7-82.352.5000120.1
826S26.2Very low25.4Very low109 Ų109148 Ų14876%0.76274%0.743SS**  trans73.285149.246.50000119.3
827Q20.3Very low24.9Very low178 Ų178153 Ų15383%0.83276%0.764SS**  -41.4134.1125.2-60166.6-13.400111.2
828T23.5Very low24.8Very low126 Ų126151.3 Ų151.377%0.77377%0.767SS**  169.1130.611633.60000113.3
829S22.3Very low24.4Very low103 Ų103151.3 Ų151.372%0.7278%0.778SS**  trans52.8108.5135.5-500000120
830K20.6Very low24.2Very low197 Ų197152.4 Ų152.486%0.85780%0.797SS**  48.3104.581.7-73.9-172.4177.9-179.40114.2
831T22.9Very low24.1Very low123 Ų123151 Ų15176%0.75580%0.795SS**  trans-176.5116.9131.611.90000109.2
832Q21.5Very low24Very low170 Ų170148.8 Ų148.879%0.79480%0.795SS**  68.699.6108-75-178.2-11.200113.5
833S21.3Very low23.7Very low95 Ų95150.7 Ų150.766%0.66480%0.8SS**  59.7104.489.470.50000113.3
834H24.1Very low23.9Very low183 Ų183146.8 Ų146.885%0.84780%0.796SS**  trans-161.1131.9135-109.8-73.5000111.3
835E21Very low24Very low160 Ų160147.1 Ų147.175%0.74880%0.797SS**  trans-58152169.3-60.8162.1140.100112.1
836N26.2Very low23.9Very low159 Ų159144.5 Ų144.585%0.8579%0.793SS**  -176.3121.4124.9-87.2-28.9000111.3
837L23.7Very low24.1Very low158 Ų158144.6 Ų144.683%0.82779%0.791SS**  trans-67.4154.6155.9-77.3131.4000109.5
838P26.2Very low24.3Very low121 Ų121143.4 Ų143.479%0.78679%0.791SS**  -148.3164.596.635.2-16.3000116.7
839D24.2Very low24.5Very low154 Ų154143.9 Ų143.982%0.82479%0.793SS**  trans-51.6151.8176-66.5-59000117
840G25.7Very low24.6Very low75 Ų75147.5 Ų147.577%0.77380%0.799SS**  trans-169.955.9169.800000113.1Q842G840-Q842 PolarHBondContact O-N 3.21Å
841V25.2Very low24.8Very low129 Ų129149.1 Ų149.178%0.78280%0.8SS**  trans-72113.2170.5175.30000109.3
842Q25.5Very low24.9Very low180 Ų180149 Ų14984%0.84180%0.804SS**  trans-111.3108.7164.9-77.6-174.5-700110.2G840G840-Q842 PolarHBondContact O-N 3.21Å
843L23.7Very low24.9Very low158 Ų158149.5 Ų149.583%0.82781%0.808SS**  trans-66.1125.4165.7-77.7134.7000109.7
844N27.3Very low25.2Very low147 Ų147150.4 Ų150.479%0.78682%0.815SS**  trans-137.7107.7160.1-93.9-26000111.5
845H25.6Very low25.3Very low182 Ų182149.5 Ų149.584%0.84381%0.814SS**  trans23.6113151.3-84.5-74.1000120.8
846V26Very low25.6Very low127 Ų127147.5 Ų147.577%0.7781%0.812SS**PPolyproline II helixtrans-83124.7158.8179.80000109
847P29.2Very low25.7Very low111 Ų111147.6 Ų147.672%0.72181%0.813SS**PPolyproline II helixtrans-83.5123.7169.717.6-6.3000110.9V849P847-V849 PolarHBondContact O-N 3Å
848N24.6Very low25.9Very low154 Ų154143.7 Ų143.782%0.82481%0.811SS**PPolyproline II helixtrans-65.6121.5165.9-82.3-23.2000109.9
849V28.8Very low25.9Very low136 Ų136147.1 Ų147.182%0.82482%0.817SS**  trans-12299161.3-179.40000107.5P847P847-V849 PolarHBondContact O-N 3Å
850E24.3Very low26.3Very low178 Ų178148.3 Ų148.383%0.83282%0.817SS**  trans-71.3144.7171-78.5-177.3149.600111.3
851R23.2Very low26.3Very low232 Ų232153.7 Ų153.788%0.87582%0.822SS**  trans-66.2137.9-179.8-68.1166.6170165.7-3.8111.4
852S26.2Very low26.4Very low120 Ų120153.6 Ų153.684%0.83982%0.821SS**  trans-143.4100.5153.3-650000108.4
853M21.9Very low26.5Very low181 Ų181154.1 Ų154.189%0.89282%0.824SS**  trans-84112.4170.2-104178.3-7800108.1
854S27.2Very low26.9Very low114 Ų114155.7 Ų155.780%0.79783%0.827SS**  trans-142.5107.6158.655.60000109.3
855I26.3Very low27.3Very low164 Ų164152.7 Ų152.784%0.84182%0.823SS**  trans-63.4136.5165.4-63.1157.2000107.6
856V27.6Very low27.7Very low117 Ų117153.2 Ų153.271%0.70982%0.822SS**  trans166.2122.1140.61590000110.4
857D27.6Very low28.1Very low161 Ų161152.6 Ų152.686%0.86182%0.819SS**  trans62.8114.6152.7-56.8-14.1000122.3
858G27.9Very low28.2Very low76 Ų76157.1 Ų157.178%0.78483%0.831SS**  trans166.384.616700000112.2
859E25.7Very low29Very low194 Ų194153.1 Ų153.191%0.90783%0.826SS**  trans-61.6154.6171.7-66.6174141.200112.1
860E33.2Very low29.6Very low178 Ų178152.8 Ų152.883%0.83281%0.813SS**SBendtrans1021.8158-62.8-164.615500123.5
861H25.4Very low30.5Very low188 Ų188150.4 Ų150.487%0.8781%0.805SS**SBendtrans-140.926.2167.8-85.9-60.4000117.5
862V26.9Very low31.7Very low128 Ų128142.7 Ų142.778%0.77678%0.784SS**  trans-117.368.1175.5-165.80000111.8
863E28.2Very low32.9Very low190 Ų190143.1 Ų143.189%0.88877%0.772SS**SBendtrans-117.7-1.2154.2-86.8-160.7160.400114.1
864E31.4Very low34.2Very low192 Ų192141.1 Ų141.190%0.89776%0.761SS**THydrogen-bonded Turntrans-934.3-179.6-74.1-173.6166.300115.8
865A36.2Very low35.4Very low84 Ų84139.7 Ų139.769%0.69474%0.742SS**THydrogen-bonded Turntrans-105.414.7-177.800000115.8
866K33Very low36.3Very low193 Ų193138 Ų13884%0.83974%0.739SS**SBendtrans-137.763.6177.3-73.2-170.5178.9178.20113.8
867T35.6Very low37.1Very low113 Ų113135.5 Ų135.569%0.69373%0.731SS**  trans-143.315.8166.460000115.1G869T867-G869 PolarHBondContact O-N 3.32Å
868E31.5Very low38Very low207 Ų207131.1 Ų131.197%0.96772%0.717SS**SBendtrans-81.4107.1167.5-72.6-174.9166.800109.7
869G41.8Very low38.7Very low70 Ų70134.2 Ų134.272%0.72272%0.721SS**SBendtrans109.8-4.8166.800000117.8T867 L871T867-G869 PolarHBondContact O-N 3.32Å; G869-L871 PolarHBondContact O-N 3.15Å; G869-L871 VanDerWaalsContact O-N 3.11Å
870K39.6Very low40Very low129 Ų129127.5 Ų127.556%0.56170%0.703SS**  trans-73102.6169.7-97.7-176.7171.2-179.10109.8V872 E874K870-V872 VanDerWaalsContact C-N 3.27Å; K870-V872 PolarHBondContact O-N 3.28Å; K870-E874 VanDerWaalsContact NZ-CD 3.32Å; K870-E874 IonicContact NZ-OE1 3.14Å; K870-E874 PolarHBondContact NZ-OE1 3.45Å; K870-E874 IonicContact NZ-OE2 2.9Å
871L44.7Very low41Very low128 Ų128121.6 Ų121.667%0.6769%0.691SS**  trans-67.9-25.2179.3-70.6166.9000113.4G869 R1227G869-L871 PolarHBondContact O-N 3.15Å; G869-L871 VanDerWaalsContact O-N 3.11Å; L871-R1227 PolarHBondContact O-NH2 3.3Å
872V47.5Very low42.9Very low70 Ų70113.7 Ų113.742%0.42466%0.655SS.*SBendtrans-118.9132.4-174.8179.20000110.4K870 E874 P992K870-V872 VanDerWaalsContact C-N 3.27Å; K870-V872 PolarHBondContact O-N 3.28Å; V872-E874 PolarHBondContact O-N 2.89Å; V872-P992 HydrophobicContact CG1-CG 3.82Å
873E51.6Low45.3Very low128 Ų128115 Ų11560%0.59865%0.65SS**  trans-70.8124.9168.9-72.6-176.4169.900110.5R995E873-R995 PolarHBondContact O-NH1 3Å; E873-R995 PolarHBondContact O-NH2 3.49Å
874E48.7Very low47.7Very low139 Ų139112 Ų11265%0.6564%0.64SS**  trans-60.1140.2166.6-77.3-176.8-165.100109.4K870 V872 V876K870-E874 VanDerWaalsContact NZ-CD 3.32Å; K870-E874 IonicContact NZ-OE1 3.14Å; K870-E874 PolarHBondContact NZ-OE1 3.45Å; K870-E874 IonicContact NZ-OE2 2.9Å; V872-E874 PolarHBondContact O-N 2.89Å; E874-V876 PolarHBondContact O-N 3.29Å
875E52.2Low50.2Low84 Ų84111 Ų11139%0.39363%0.633SS.*  trans-60.6115.3177.9-176.4178.8177.200109A877 R999 R1188E875-A877 VanDerWaalsContact C-N 3.25Å; E875-A877 PolarHBondContact O-N 3.22Å; E875-R999 IonicContact OE1-CZ 3.52Å; E875-R999 IonicContact OE1-NH2 3.74Å; E875-R999 PolarHBondContact OE1-NH2 2.92Å; E875-R1188 IonicContact OE1-CZ 2.79Å; E875-R1188 VanDerWaalsContact OE1-CZ 3.3Å; E875-R1188 IonicContact OE1-NE 2.87Å; E875-R1188 PolarHBondContact OE1-NE 3.43Å; E875-R1188 IonicContact OE1-NH2 2.97Å; E875-R1188 PolarHBondContact OE1-NH2 2.71Å
876V45.5Very low52.5Low128 Ų128107.7 Ų107.778%0.77660%0.604SS**  trans-68.289.7171.1-1760000107.3E874 A878E874-V876 PolarHBondContact O-N 3.29Å; V876-A878 PolarHBondContact O-N 3.02Å; V876-A878 VanDerWaalsContact O-N 3.07Å
877A45.7Very low55Low66 Ų66100.4 Ų100.455%0.54557%0.571SS.*  trans-65.3110.5168.100000107E875 T879E875-A877 VanDerWaalsContact C-N 3.25Å; E875-A877 PolarHBondContact O-N 3.22Å; A877-T879 PolarHBondContact O-N 3.49Å
878A44.8Very low57.4Low69 Ų6999 Ų9957%0.5756%0.56SS**  trans-53.9107169.800000108.5V876 G880V876-A878 PolarHBondContact O-N 3.02Å; V876-A878 VanDerWaalsContact O-N 3.07Å; A878-G880 PolarHBondContact O-N 3.24Å
879T43.3Very low59.8Low141 Ų14191.2 Ų91.287%0.86553%0.528SS*.  trans-83.2116.3-178.950.90000109A877A877-T879 PolarHBondContact O-N 3.49Å
880G52.3Low61.9Low52 Ų5288 Ų8854%0.53649%0.494SS..SBendtrans141.1-163.9178.100000112.7A878A878-G880 PolarHBondContact O-N 3.24Å
881G55.4Low64.1Low55 Ų5585 Ų8557%0.56748%0.481SS*.SBendtrans-82.515016800000110.8K883G881-K883 PolarHBondContact O-N 3.35Å
882V64.6Low65.9Low22 Ų2286.7 Ų86.713%0.13348%0.483CS..PPolyproline II helixtrans-63.1129.9-179.2176.30000110.1V886 Y887 E1180 I1183 V1184V882-V886 HydrophobicContact CG1-CB 3.67Å; V882-V886 HydrophobicContact CG1-CG1 4.02Å; V882-V886 HydrophobicContact CG1-CG2 3.83Å; V882-Y887 HydrophobicContact CB-CE2 3.96Å; V882-Y887 HydrophobicContact CG1-CD2 4.33Å; V882-Y887 HydrophobicContact CG1-CE2 3.83Å; V882-E1180 HydrophobicContact CG2-CG 4.39Å; V882-I1183 HydrophobicContact CB-CG2 4Å; V882-I1183 HydrophobicContact CG1-CG1 4.47Å; V882-I1183 HydrophobicContact CG1-CG2 3.85Å; V882-I1183 HydrophobicContact CG2-CG2 3.61Å; V882-V1184 HydrophobicContact CG2-CG2 3.8Å
883K77.2Confident67.7Low154 Ų15484.2 Ų84.267%0.6747%0.47SS*.PPolyproline II helixtrans-60.1137.8180-65.5175.8-178.2172.40110.5G881 K885 V886G881-K883 PolarHBondContact O-N 3.35Å; K883-K885 PolarHBondContact O-N 2.71Å; K883-V886 WeakPolarHBondContact O-CB 3.43Å; K883-V886 PolarHBondContact O-N 3.09Å
884L80Confident69.2Low128 Ų12878.8 Ų78.867%0.6745%0.445SS*.Hα-helixtrans-53.4-29.4178.5-17466.5000113.2V886 Y887 L888L884-V886 PolarHBondContact O-N 3.1Å; L884-Y887 PolarHBondContact O-N 3.39Å; L884-L888 HydrophobicContact CG-CD1 4.21Å; L884-L888 HydrophobicContact CG-CG 4.45Å; L884-L888 PolarHBondContact O-N 3.03Å
885K83.7Confident70.9Confident170 Ų17073.2 Ų73.274%0.73943%0.425SS*.Hα-helixtrans-54.9-33.8174.8-171.5179.1178.3-176.90113K883 L888 S889K883-K885 PolarHBondContact O-N 2.71Å; K885-L888 PolarHBondContact O-N 2.82Å; K885-S889 WeakPolarHBondContact O-CB 3.22Å; K885-S889 PolarHBondContact O-N 3.22Å
886V84.4Confident72.5Confident16 Ų1675.2 Ų75.210%0.09744%0.437CS..Hα-helixtrans-69.4-46.7-179.9-176.70000110.7V882 K883 L884 L888 S889 Y890 I1183 V1186 E1187V882-V886 HydrophobicContact CG1-CB 3.67Å; V882-V886 HydrophobicContact CG1-CG1 4.02Å; V882-V886 HydrophobicContact CG1-CG2 3.83Å; K883-V886 WeakPolarHBondContact O-CB 3.43Å; K883-V886 PolarHBondContact O-N 3.09Å; L884-V886 PolarHBondContact O-N 3.1Å; V886-L888 VanDerWaalsContact C-N 3.32Å; V886-L888 PolarHBondContact O-N 3.43Å; V886-S889 WeakPolarHBondContact O-CB 3.37Å; V886-S889 PolarHBondContact O-N 3.2Å; V886-Y890 PolarHBondContact O-N 3.42Å; V886-I1183 HydrophobicContact CG1-CD1 4.45Å; V886-I1183 HydrophobicContact CG1-CG1 3.94Å; V886-V1186 HydrophobicContact CG1-CB 4.09Å; V886-V1186 HydrophobicContact CG1-CG1 3.76Å; V886-E1187 HydrophobicContact CG1-CB 3.96Å; V886-E1187 HydrophobicContact CG2-CB 4.02Å; V886-E1187 HydrophobicContact CG2-CG 4.01Å
887Y86Confident74.5Confident39 Ų3975.9 Ų75.915%0.15344%0.435CS..Hα-helixtrans-59.6-44.3174.6-65.6-86.9000111.4V882 L884 S889 Y890 F891 L1179 I1183V882-Y887 HydrophobicContact CB-CE2 3.96Å; V882-Y887 HydrophobicContact CG1-CD2 4.33Å; V882-Y887 HydrophobicContact CG1-CE2 3.83Å; L884-Y887 PolarHBondContact O-N 3.39Å; Y887-S889 PolarHBondContact O-N 2.83Å; Y887-Y890 WeakPolarHBondContact O-CB 3.47Å; Y887-Y890 PolarHBondContact O-N 3.36Å; Y887-F891 WeakPolarHBondContact O-CD2 3.41Å; Y887-F891 WeakPolarHBondContact O-CG 3.45Å; Y887-F891 PolarHBondContact O-N 2.86Å; Y887-L1179 HydrophobicContact CE1-CD2 4.47Å; Y887-L1179 HydrophobicContact CE1-CG 4.39Å; Y887-I1183 HydrophobicContact CD1-CD1 4.36Å; Y887-I1183 HydrophobicContact CD1-CG1 4.11Å; Y887-I1183 HydrophobicContact CE1-CB 4.29Å; Y887-I1183 HydrophobicContact CE1-CG1 3.96Å; Y887-I1183 HydrophobicContact CE1-CG2 4.17Å
888L85.2Confident76.5Confident85 Ų8575.5 Ų75.545%0.44543%0.426SS..Hα-helixtrans-64.5-37.5176.7-70.4171.4000112.5L884 K885 V886 Y890 F891 K892L884-L888 HydrophobicContact CG-CD1 4.21Å; L884-L888 HydrophobicContact CG-CG 4.45Å; L884-L888 PolarHBondContact O-N 3.03Å; K885-L888 PolarHBondContact O-N 2.82Å; V886-L888 VanDerWaalsContact C-N 3.32Å; V886-L888 PolarHBondContact O-N 3.43Å; L888-Y890 VanDerWaalsContact C-N 3.31Å; L888-Y890 PolarHBondContact O-N 3.25Å; L888-F891 PolarHBondContact O-N 3.29Å; L888-K892 VanDerWaalsContact O-CB 3.31Å; L888-K892 WeakPolarHBondContact O-CB 3.47Å; L888-K892 WeakPolarHBondContact O-CG 3.27Å; L888-K892 PolarHBondContact O-N 2.96Å
889S81.9Confident78.5Confident42 Ų4273.3 Ų73.329%0.29441%0.406SS..Hα-helixtrans-60.3-44.2174.1-168.40000110.9K885 V886 Y887 K892 A893K885-S889 WeakPolarHBondContact O-CB 3.22Å; K885-S889 PolarHBondContact O-N 3.22Å; V886-S889 WeakPolarHBondContact O-CB 3.37Å; V886-S889 PolarHBondContact O-N 3.2Å; Y887-S889 PolarHBondContact O-N 2.83Å; S889-K892 PolarHBondContact O-N 2.89Å; S889-A893 PolarHBondContact O-N 2.95Å
890Y86.5Confident80.8Confident3 Ų371.4 Ų71.41%0.01239%0.39CS..Hα-helixtrans-65.3-45.8177.8-165.5-114.5000112.9V886 Y887 L888 K892 A893 I894 M965 A968 M972 V1007 I1011 I1183 V1186V886-Y890 PolarHBondContact O-N 3.42Å; Y887-Y890 WeakPolarHBondContact O-CB 3.47Å; Y887-Y890 PolarHBondContact O-N 3.36Å; L888-Y890 VanDerWaalsContact C-N 3.31Å; L888-Y890 PolarHBondContact O-N 3.25Å; Y890-K892 VanDerWaalsContact C-N 3.29Å; Y890-K892 PolarHBondContact O-N 2.87Å; Y890-A893 WeakPolarHBondContact O-CB 3.35Å; Y890-A893 PolarHBondContact O-N 2.78Å; Y890-A893 VanDerWaalsContact O-N 3.16Å; Y890-I894 HydrophobicContact CD1-CD1 3.91Å; Y890-I894 HydrophobicContact CE1-CD1 3.73Å; Y890-I894 WeakPolarHBondContact O-CG1 3.43Å; Y890-I894 PolarHBondContact O-N 3.48Å; Y890-I894 VanDerWaalsContact O-N 3.17Å; Y890-M965 HydrophobicContact CE1-CE 3.78Å; Y890-M965 HydrophobicContact CE1-SD 3.4Å; Y890-M965 WeakPolarHBondContact CE1-SD 3.22Å; Y890-M965 PolarHBondContact OH-SD 2.91Å; Y890-A968 HydrophobicContact CE2-CB 4.26Å; Y890-M972 HydrophobicContact CD2-SD 4.08Å; Y890-M972 HydrophobicContact CE2-SD 4.27Å; Y890-V1007 HydrophobicContact CE2-CG1 4.06Å; Y890-I1011 HydrophobicContact CD1-CG2 4.4Å; Y890-I1011 HydrophobicContact CE1-CG2 3.51Å; Y890-I1011 HydrophobicContact CE2-CG2 4.46Å; Y890-I1011 WeakPolarHBondContact OH-CG2 3.36Å; Y890-I1183 HydrophobicContact CG-CD1 4.5Å; Y890-V1186 HydrophobicContact CD2-CG1 4.29Å; Y890-V1186 HydrophobicContact CD2-CG2 3.74Å; Y890-V1186 HydrophobicContact CE2-CG2 4.09Å; Y890-V1186 HydrophobicContact CG-CG2 4.39Å
891F84.7Confident82.7Confident66 Ų6673.2 Ų73.229%0.28938%0.383SS..Hα-helixtrans-66.1-30.9175.8-61.9-42.4000112.8Y887 L888 I894 G895 T899Y887-F891 WeakPolarHBondContact O-CD2 3.41Å; Y887-F891 WeakPolarHBondContact O-CG 3.45Å; Y887-F891 PolarHBondContact O-N 2.86Å; L888-F891 PolarHBondContact O-N 3.29Å; F891-I894 HydrophobicContact CD1-CD1 4.33Å; F891-I894 PolarHBondContact O-N 3.35Å; F891-G895 CarbonylContact O-C 3.57Å; F891-G895 PolarHBondContact O-N 3.22Å; F891-T899 HydrophobicContact CD1-CG2 4.14Å; F891-T899 HydrophobicContact CG-CG2 4.48Å
892K83.5Confident84.5Confident164 Ų16471 Ų7171%0.71336%0.358SS*.Hα-helixtrans-66.8-39171.2-78.2176.9-179.1-172.40112L888 S889 Y890 I894 G895L888-K892 VanDerWaalsContact O-CB 3.31Å; L888-K892 WeakPolarHBondContact O-CB 3.47Å; L888-K892 WeakPolarHBondContact O-CG 3.27Å; L888-K892 PolarHBondContact O-N 2.96Å; S889-K892 PolarHBondContact O-N 2.89Å; Y890-K892 VanDerWaalsContact C-N 3.29Å; Y890-K892 PolarHBondContact O-N 2.87Å; K892-I894 VanDerWaalsContact C-N 3.28Å; K892-I894 PolarHBondContact O-N 2.93Å; K892-G895 PolarHBondContact O-N 3.44Å
893A83.7Confident85.7Confident18 Ų1873.8 Ų73.815%0.14937%0.372CS..Hα-helixtrans-63.3-35.3176.400000112.5S889 Y890 A968 R971S889-A893 PolarHBondContact O-N 2.95Å; Y890-A893 WeakPolarHBondContact O-CB 3.35Å; Y890-A893 PolarHBondContact O-N 2.78Å; Y890-A893 VanDerWaalsContact O-N 3.16Å; A893-A968 HydrophobicContact CB-CB 3.9Å; A893-R971 PolarHBondContact O-NH1 2.67Å
894I84.3Confident86.6Confident14 Ų1472 Ų727%0.07236%0.364CS..Hα-helixtrans-70.7-46.7173.9-70.6169.9000111.4Y890 F891 K892 T898 A964 M965 A968Y890-I894 HydrophobicContact CD1-CD1 3.91Å; Y890-I894 HydrophobicContact CE1-CD1 3.73Å; Y890-I894 WeakPolarHBondContact O-CG1 3.43Å; Y890-I894 PolarHBondContact O-N 3.48Å; Y890-I894 VanDerWaalsContact O-N 3.17Å; F891-I894 HydrophobicContact CD1-CD1 4.33Å; F891-I894 PolarHBondContact O-N 3.35Å; K892-I894 VanDerWaalsContact C-N 3.28Å; K892-I894 PolarHBondContact O-N 2.93Å; I894-T898 WeakPolarHBondContact CG2-OG1 3.45Å; I894-T898 PolarHBondContact O-OG1 3Å; I894-A964 HydrophobicContact CG2-CB 3.75Å; I894-M965 HydrophobicContact CD1-CE 3.66Å; I894-M965 HydrophobicContact CD1-SD 3.71Å; I894-M965 HydrophobicContact CG1-SD 4.49Å; I894-A968 HydrophobicContact CG1-CB 3.82Å
895G84.9Confident87.3Confident22 Ų2266.4 Ų66.423%0.22734%0.335CS..  trans112125.4-174.400000111.4F891 K892 L897 T898 T899F891-G895 CarbonylContact O-C 3.57Å; F891-G895 PolarHBondContact O-N 3.22Å; K892-G895 PolarHBondContact O-N 3.44Å; G895-L897 PolarHBondContact O-N 3.11Å; G895-T898 PolarHBondContact O-N 3.49Å; G895-T898 PolarHBondContact O-OG1 2.95Å; G895-T899 PolarHBondContact O-N 3.31Å; G895-T899 PolarHBondContact O-OG1 3.19Å
896L84Confident87.8Confident125 Ų12558.5 Ų58.565%0.65430%0.3SS*.Hα-helixtrans-60.8-44.9-172-170.969.3000112.8T898 T899 I900L896-T898 PolarHBondContact O-N 3.03Å; L896-T899 WeakPolarHBondContact O-CB 3.19Å; L896-T899 PolarHBondContact O-N 2.99Å; L896-I900 HydrophobicContact CG-CD1 4.4Å; L896-I900 WeakPolarHBondContact O-CG1 3.3Å; L896-I900 PolarHBondContact O-N 2.91Å
897L88Confident88.3Confident142 Ų14261.8 Ų61.874%0.74332%0.317SS*.Hα-helixtrans-62.5-42.1179.2-173.468000111.9G895 T899 I900 F901G895-L897 PolarHBondContact O-N 3.11Å; L897-T899 VanDerWaalsContact C-N 3.29Å; L897-T899 PolarHBondContact O-N 3.37Å; L897-I900 PolarHBondContact O-N 3.34Å; L897-F901 PolarHBondContact O-N 2.89Å
898T87.7Confident88.7Confident58 Ų5860.5 Ų60.536%0.35632%0.315SS..Hα-helixtrans-65.3-35.4177.266.90000111.6I894 G895 L896 F901 I902I894-T898 WeakPolarHBondContact CG2-OG1 3.45Å; I894-T898 PolarHBondContact O-OG1 3Å; G895-T898 PolarHBondContact O-N 3.49Å; G895-T898 PolarHBondContact O-OG1 2.95Å; L896-T898 PolarHBondContact O-N 3.03Å; T898-F901 PolarHBondContact O-N 2.8Å; T898-I902 WeakPolarHBondContact O-CD1 3.18Å; T898-I902 WeakPolarHBondContact O-CG1 3.44Å; T898-I902 PolarHBondContact O-N 3.1Å
899T87.3Confident89Confident23 Ų2356.5 Ų56.514%0.14129%0.294CS..Hα-helixtrans-64.3-45.4176.4-54.30000111.1F891 G895 L896 L897 F901 I902 L903F891-T899 HydrophobicContact CD1-CG2 4.14Å; F891-T899 HydrophobicContact CG-CG2 4.48Å; G895-T899 PolarHBondContact O-N 3.31Å; G895-T899 PolarHBondContact O-OG1 3.19Å; L896-T899 WeakPolarHBondContact O-CB 3.19Å; L896-T899 PolarHBondContact O-N 2.99Å; L897-T899 VanDerWaalsContact C-N 3.29Å; L897-T899 PolarHBondContact O-N 3.37Å; T899-F901 PolarHBondContact O-N 2.87Å; T899-I902 PolarHBondContact O-N 3.4Å; T899-L903 HydrophobicContact CG2-CD1 4.45Å; T899-L903 WeakPolarHBondContact O-CG 3.22Å; T899-L903 PolarHBondContact O-N 2.68Å
900I90.5Very high89.5Confident102 Ų10255.4 Ų55.452%0.52329%0.286SS..Hα-helixtrans-62.2-44.1176.8-65.3167.6000110.9L896 L897 I902 L903 F904L896-I900 HydrophobicContact CG-CD1 4.4Å; L896-I900 WeakPolarHBondContact O-CG1 3.3Å; L896-I900 PolarHBondContact O-N 2.91Å; L897-I900 PolarHBondContact O-N 3.34Å; I900-I902 PolarHBondContact O-N 3.37Å; I900-L903 PolarHBondContact O-N 3Å; I900-F904 PolarHBondContact O-N 3.16Å
901F93.4Very high89.9Confident90 Ų9058.4 Ų58.440%0.39531%0.308SS..Hα-helixtrans-64.3-39.5178.9-175.1-112.9000112.8L897 T898 T899 F904 L905 F960L897-F901 PolarHBondContact O-N 2.89Å; T898-F901 PolarHBondContact O-N 2.8Å; T899-F901 PolarHBondContact O-N 2.87Å; F901-F904 HydrophobicContact CD2-CD1 4.47Å; F901-F904 HydrophobicContact CE2-CD1 4.41Å; F901-F904 WeakPolarHBondContact O-CB 3.3Å; F901-F904 PolarHBondContact O-N 3.25Å; F901-L905 HydrophobicContact CD1-CD1 4.03Å; F901-L905 HydrophobicContact CE1-CD1 3.65Å; F901-L905 HydrophobicContact CE1-CG 4.38Å; F901-L905 HydrophobicContact CZ-CD1 4.07Å; F901-L905 HydrophobicContact CZ-CD2 4.45Å; F901-L905 HydrophobicContact CZ-CG 4.38Å; F901-L905 WeakPolarHBondContact O-CG 3.34Å; F901-L905 PolarHBondContact O-N 3.37Å; F901-L905 VanDerWaalsContact O-N 3.14Å; F901-F960 HydrophobicContact CD1-CD1 4.46Å; F901-F960 HydrophobicContact CD1-CG 4.45Å; F901-F960 HydrophobicContact CE1-CD1 4.45Å; F901-F960 AromaticContact CE1-CD2 3.96Å; F901-F960 HydrophobicContact CE1-CD2 3.96Å; F901-F960 HydrophobicContact CE1-CE1 4.26Å; F901-F960 AromaticContact CE1-CE2 3.78Å; F901-F960 HydrophobicContact CE1-CE2 3.78Å; F901-F960 HydrophobicContact CE1-CG 4.32Å; F901-F960 AromaticContact CE1-CZ 3.93Å; F901-F960 HydrophobicContact CE1-CZ 3.93Å
902I91.9Very high90.3Very high8 Ų858.1 Ų58.14%0.04131%0.307CS..Hα-helixtrans-61.4-47173.6-69.5159.9000110.4T898 T899 I900 F904 L905 Y906 F960 L961 A964 M1019T898-I902 WeakPolarHBondContact O-CD1 3.18Å; T898-I902 WeakPolarHBondContact O-CG1 3.44Å; T898-I902 PolarHBondContact O-N 3.1Å; T899-I902 PolarHBondContact O-N 3.4Å; I900-I902 PolarHBondContact O-N 3.37Å; I902-F904 VanDerWaalsContact C-N 3.29Å; I902-F904 PolarHBondContact O-N 3.41Å; I902-L905 PolarHBondContact O-N 3.16Å; I902-L905 VanDerWaalsContact O-N 3.12Å; I902-Y906 HydrophobicContact CG2-CD2 3.79Å; I902-Y906 HydrophobicContact CG2-CE2 3.76Å; I902-Y906 WeakPolarHBondContact O-CD2 3.31Å; I902-Y906 PolarHBondContact O-N 3.15Å; I902-Y906 VanDerWaalsContact O-N 3.14Å; I902-F960 HydrophobicContact CD1-CB 4.49Å; I902-F960 HydrophobicContact CG1-CB 3.94Å; I902-L961 HydrophobicContact CD1-CB 4.25Å; I902-L961 HydrophobicContact CD1-CD1 4.2Å; I902-L961 HydrophobicContact CG2-CB 4.17Å; I902-L961 HydrophobicContact CG2-CD1 4.17Å; I902-A964 HydrophobicContact CD1-CB 4.46Å; I902-M1019 HydrophobicContact CG2-CE 4.13Å
903L91.4Very high90.7Very high80 Ų8052.5 Ų52.542%0.41928%0.284SS..Hα-helixtrans-57.4-43.9178.1-73.5166.8000111.6T899 I900 L905 Y906 I907 M1019T899-L903 HydrophobicContact CG2-CD1 4.45Å; T899-L903 WeakPolarHBondContact O-CG 3.22Å; T899-L903 PolarHBondContact O-N 2.68Å; I900-L903 PolarHBondContact O-N 3Å; L903-L905 VanDerWaalsContact C-N 3.34Å; L903-L905 PolarHBondContact O-N 3.24Å; L903-Y906 PolarHBondContact O-N 3.45Å; L903-I907 WeakPolarHBondContact O-CB 3.28Å; L903-I907 WeakPolarHBondContact O-CD1 3.39Å; L903-I907 VanDerWaalsContact O-CG1 3.23Å; L903-I907 WeakPolarHBondContact O-CG1 3.44Å; L903-I907 PolarHBondContact O-N 2.85Å; L903-M1019 HydrophobicContact CD2-SD 3.85Å
904F95.2Very high91.1Very high118 Ų11852.9 Ų52.952%0.51828%0.283SS..Hα-helixtrans-56.3-44.9174.8168.1-99.8000112.5I900 F901 I902 I907 G908 F953I900-F904 PolarHBondContact O-N 3.16Å; F901-F904 HydrophobicContact CD2-CD1 4.47Å; F901-F904 HydrophobicContact CE2-CD1 4.41Å; F901-F904 WeakPolarHBondContact O-CB 3.3Å; F901-F904 PolarHBondContact O-N 3.25Å; I902-F904 VanDerWaalsContact C-N 3.29Å; I902-F904 PolarHBondContact O-N 3.41Å; F904-I907 PolarHBondContact O-N 3.46Å; F904-G908 PolarHBondContact O-N 2.93Å; F904-F953 HydrophobicContact CE1-CE1 4.14Å; F904-F953 HydrophobicContact CZ-CE1 4.33Å
905L94.9Very high91.5Very high10 Ų1053.5 Ų53.55%0.05229%0.293CS..Hα-helixtrans-64.8-42.1-179.8-70.1170.4000112.8F901 I902 L903 G908 S909 F953 F956 F960F901-L905 HydrophobicContact CD1-CD1 4.03Å; F901-L905 HydrophobicContact CE1-CD1 3.65Å; F901-L905 HydrophobicContact CE1-CG 4.38Å; F901-L905 HydrophobicContact CZ-CD1 4.07Å; F901-L905 HydrophobicContact CZ-CD2 4.45Å; F901-L905 HydrophobicContact CZ-CG 4.38Å; F901-L905 WeakPolarHBondContact O-CG 3.34Å; F901-L905 PolarHBondContact O-N 3.37Å; F901-L905 VanDerWaalsContact O-N 3.14Å; I902-L905 PolarHBondContact O-N 3.16Å; I902-L905 VanDerWaalsContact O-N 3.12Å; L903-L905 VanDerWaalsContact C-N 3.34Å; L903-L905 PolarHBondContact O-N 3.24Å; L905-G908 PolarHBondContact O-N 3.32Å; L905-S909 PolarHBondContact O-N 3.03Å; L905-F953 HydrophobicContact CD2-CD1 4.04Å; L905-F953 HydrophobicContact CD2-CE1 4.34Å; L905-F956 HydrophobicContact CD1-CB 4Å; L905-F956 HydrophobicContact CD2-CB 4.31Å; L905-F960 HydrophobicContact CD1-CD2 4.14Å
906Y93.5Very high91.8Very high3 Ų352.6 Ų52.61%0.01228%0.283CS..Hα-helixtrans-70.8-40.5178-81.9-89.9000112.4I902 L903 G908 S909 S910 G957 T958 L961 R1016 M1019 M1020I902-Y906 HydrophobicContact CG2-CD2 3.79Å; I902-Y906 HydrophobicContact CG2-CE2 3.76Å; I902-Y906 WeakPolarHBondContact O-CD2 3.31Å; I902-Y906 PolarHBondContact O-N 3.15Å; I902-Y906 VanDerWaalsContact O-N 3.14Å; L903-Y906 PolarHBondContact O-N 3.45Å; Y906-G908 VanDerWaalsContact C-N 3.34Å; Y906-S909 PolarHBondContact O-N 3.46Å; Y906-S910 PolarHBondContact O-N 3.46Å; Y906-G957 WeakPolarHBondContact CE2-O 3.43Å; Y906-T958 WeakPolarHBondContact OH-CG2 3.34Å; Y906-L961 HydrophobicContact CE2-CD2 4.35Å; Y906-R1016 HydrophobicContact CE1-CG 4.36Å; Y906-R1016 WeakPolarHBondContact OH-CG 3.17Å; Y906-M1019 HydrophobicContact CD1-CE 3.84Å; Y906-M1019 HydrophobicContact CD1-CG 4.47Å; Y906-M1019 HydrophobicContact CD1-SD 4.47Å; Y906-M1019 HydrophobicContact CD2-CE 3.15Å; Y906-M1019 HydrophobicContact CD2-SD 3.79Å; Y906-M1019 HydrophobicContact CE1-CE 3.86Å; Y906-M1019 HydrophobicContact CE2-CE 3.18Å; Y906-M1019 HydrophobicContact CE2-SD 4.4Å; Y906-M1019 HydrophobicContact CG-CE 3.49Å; Y906-M1019 VanDerWaalsContact CG-CE 3.49Å; Y906-M1019 HydrophobicContact CG-CG 4.28Å; Y906-M1019 HydrophobicContact CG-SD 3.82Å; Y906-M1020 HydrophobicContact CD1-CG 4.25Å; Y906-M1020 HydrophobicContact CD1-SD 3.64Å; Y906-M1020 HydrophobicContact CE1-CG 3.99Å; Y906-M1020 HydrophobicContact CE1-SD 3.73Å
907I95Very high92.1Very high86 Ų8647.2 Ų47.244%0.44126%0.257SS..Hα-helixtrans-59.8-46.9173.3-68.8166.2000109.8L903 F904 S909 S910 S911 L1023L903-I907 WeakPolarHBondContact O-CB 3.28Å; L903-I907 WeakPolarHBondContact O-CD1 3.39Å; L903-I907 VanDerWaalsContact O-CG1 3.23Å; L903-I907 WeakPolarHBondContact O-CG1 3.44Å; L903-I907 PolarHBondContact O-N 2.85Å; F904-I907 PolarHBondContact O-N 3.46Å; I907-S909 VanDerWaalsContact C-N 3.34Å; I907-S909 PolarHBondContact O-N 2.92Å; I907-S910 VanDerWaalsContact O-CB 3.31Å; I907-S910 WeakPolarHBondContact O-CB 3.41Å; I907-S910 PolarHBondContact O-N 2.96Å; I907-S910 VanDerWaalsContact O-N 3.13Å; I907-S911 PolarHBondContact O-N 3.43Å; I907-S911 PolarHBondContact O-OG 3.45Å; I907-S911 VanDerWaalsContact O-OG 3.12Å; I907-L1023 HydrophobicContact CG1-CD2 3.97Å
908G94.4Very high92.4Very high11 Ų1143.2 Ų43.211%0.11323%0.233CC..Hα-helixtrans-57.5-43.7177.400000112.9F904 L905 Y906 S910 S911 F912F904-G908 PolarHBondContact O-N 2.93Å; L905-G908 PolarHBondContact O-N 3.32Å; Y906-G908 VanDerWaalsContact C-N 3.34Å; G908-S910 PolarHBondContact O-N 3.31Å; G908-S911 WeakPolarHBondContact O-CB 3.46Å; G908-S911 PolarHBondContact O-N 3.28Å; G908-F912 WeakPolarHBondContact O-CD2 3.3Å; G908-F912 PolarHBondContact O-N 3.45Å
909S92.9Very high92.6Very high2 Ų243 Ų431%0.01423%0.226CC..Hα-helixtrans-61.8-42.2175.2-170.30000112.8L905 Y906 I907 S911 F912 N913 Q950 I954L905-S909 PolarHBondContact O-N 3.03Å; Y906-S909 PolarHBondContact O-N 3.46Å; I907-S909 VanDerWaalsContact C-N 3.34Å; I907-S909 PolarHBondContact O-N 2.92Å; S909-S911 VanDerWaalsContact C-N 3.33Å; S909-S911 PolarHBondContact O-N 2.97Å; S909-F912 PolarHBondContact O-N 2.65Å; S909-N913 PolarHBondContact O-N 2.98Å; S909-Q950 VanDerWaalsContact OG-CG 3.24Å; S909-Q950 WeakPolarHBondContact OG-CG 3.4Å; S909-Q950 PolarHBondContact OG-O 2.99Å; S909-I954 WeakPolarHBondContact OG-CD1 3.35Å; S909-I954 WeakPolarHBondContact OG-CG1 3.39Å
910S92.2Very high92.8Very high18 Ų1842 Ų4213%0.12622%0.22CC..Hα-helixtrans-59.9-43.6174.5-1390000111.7Y906 I907 G908 F912 N913 I914 S1027Y906-S910 PolarHBondContact O-N 3.46Å; I907-S910 VanDerWaalsContact O-CB 3.31Å; I907-S910 WeakPolarHBondContact O-CB 3.41Å; I907-S910 PolarHBondContact O-N 2.96Å; I907-S910 VanDerWaalsContact O-N 3.13Å; G908-S910 PolarHBondContact O-N 3.31Å; S910-F912 PolarHBondContact O-N 3.3Å; S910-N913 WeakPolarHBondContact O-CB 3.31Å; S910-N913 PolarHBondContact O-N 2.96Å; S910-N913 VanDerWaalsContact O-N 3.16Å; S910-I914 WeakPolarHBondContact O-CG1 3.47Å; S910-I914 PolarHBondContact O-N 2.81Å; S910-S1027 PolarHBondContact OG-OG 2.93Å
911S93.9Very high92.8Very high67 Ų6737.2 Ų37.247%0.46920%0.195SC..Hα-helixtrans-61.9-42.4177.3-60.10000112.2I907 G908 S909 N913 I914 G915I907-S911 PolarHBondContact O-N 3.43Å; I907-S911 PolarHBondContact O-OG 3.45Å; I907-S911 VanDerWaalsContact O-OG 3.12Å; G908-S911 WeakPolarHBondContact O-CB 3.46Å; G908-S911 PolarHBondContact O-N 3.28Å; S909-S911 VanDerWaalsContact C-N 3.33Å; S909-S911 PolarHBondContact O-N 2.97Å; S911-N913 VanDerWaalsContact C-N 3.32Å; S911-N913 PolarHBondContact O-N 3.5Å; S911-I914 PolarHBondContact O-N 3.42Å; S911-G915 PolarHBondContact O-N 3.4Å
912F94Very high92.6Very high60 Ų6036.9 Ų36.926%0.26320%0.195SC..Hα-helixtrans-65.2-34.8174.2-71-59.5000112.5G908 S909 S910 G915 S916 L946 A949 Q950 F953G908-F912 WeakPolarHBondContact O-CD2 3.3Å; G908-F912 PolarHBondContact O-N 3.45Å; S909-F912 PolarHBondContact O-N 2.65Å; S910-F912 PolarHBondContact O-N 3.3Å; F912-G915 PolarHBondContact O-N 3.4Å; F912-S916 WeakPolarHBondContact O-CB 3.38Å; F912-S916 PolarHBondContact O-N 3.07Å; F912-L946 HydrophobicContact CD1-CD2 3.94Å; F912-A949 HydrophobicContact CD1-CB 3.95Å; F912-A949 HydrophobicContact CD2-CB 3.97Å; F912-A949 HydrophobicContact CE1-CB 3.95Å; F912-A949 HydrophobicContact CE2-CB 3.98Å; F912-A949 HydrophobicContact CG-CB 3.97Å; F912-A949 HydrophobicContact CZ-CB 3.97Å; F912-Q950 HydrophobicContact CB-CB 3.86Å; F912-F953 HydrophobicContact CD2-CD2 4.2Å; F912-F953 HydrophobicContact CD2-CE2 4.5Å; F912-F953 HydrophobicContact CD2-CG 4.35Å; F912-F953 HydrophobicContact CE2-CD1 4.32Å; F912-F953 AromaticContact CE2-CD2 3.66Å; F912-F953 HydrophobicContact CE2-CD2 3.66Å; F912-F953 HydrophobicContact CE2-CE1 4.22Å; F912-F953 AromaticContact CE2-CE2 3.53Å; F912-F953 HydrophobicContact CE2-CE2 3.53Å; F912-F953 HydrophobicContact CE2-CG 4.06Å; F912-F953 AromaticContact CE2-CZ 3.83Å; F912-F953 HydrophobicContact CE2-CZ 3.83Å; F912-F953 HydrophobicContact CZ-CE2 4.2Å; F912-F953 HydrophobicContact CZ-CZ 4.44Å
913N91.1Very high92.4Very high45 Ų4536.8 Ų36.824%0.24119%0.194CC..Hα-helixtrans-64.4-46.9174.9-172.5-97.3000112.1S909 S910 S911 G915 S916 S917 Q950S909-N913 PolarHBondContact O-N 2.98Å; S910-N913 WeakPolarHBondContact O-CB 3.31Å; S910-N913 PolarHBondContact O-N 2.96Å; S910-N913 VanDerWaalsContact O-N 3.16Å; S911-N913 VanDerWaalsContact C-N 3.32Å; S911-N913 PolarHBondContact O-N 3.5Å; N913-G915 VanDerWaalsContact C-N 3.35Å; N913-S916 PolarHBondContact O-N 3.17Å; N913-S916 PolarHBondContact O-OG 2.86Å; N913-S917 PolarHBondContact O-N 2.67Å; N913-S917 VanDerWaalsContact O-N 3.15Å; N913-S917 PolarHBondContact O-OG 3.47Å; N913-S917 VanDerWaalsContact O-OG 3.08Å; N913-Q950 HydrophobicContact CB-CG 4.48Å; N913-Q950 PolarHBondContact ND2-NE2 3.05Å; N913-Q950 PolarHBondContact ND2-OE1 2.97Å
914I92.5Very high92.3Very high26 Ų2633 Ų3313%0.13317%0.174CC..Hα-helixtrans-59-48.9174.4-66166.9000109.7S910 S911 S916 S917 F918 L1030 V1031S910-I914 WeakPolarHBondContact O-CG1 3.47Å; S910-I914 PolarHBondContact O-N 2.81Å; S911-I914 PolarHBondContact O-N 3.42Å; I914-S916 VanDerWaalsContact C-N 3.32Å; I914-S916 PolarHBondContact O-N 2.91Å; I914-S917 PolarHBondContact O-N 2.79Å; I914-F918 HydrophobicContact CG2-CD2 3.69Å; I914-F918 HydrophobicContact CG2-CE2 3.65Å; I914-F918 WeakPolarHBondContact O-CD2 3.46Å; I914-F918 PolarHBondContact O-N 3.3Å; I914-L1030 HydrophobicContact CD1-CD1 4.25Å; I914-V1031 HydrophobicContact CB-CG2 4.46Å; I914-V1031 HydrophobicContact CG1-CG2 4.2Å; I914-V1031 HydrophobicContact CG2-CG2 3.91Å
915G93Very high91.8Very high27 Ų2729.1 Ų29.128%0.27816%0.159SC..Hα-helixtrans-56.4-43.3176.800000112.8S911 F912 N913 S917 F918 W919S911-G915 PolarHBondContact O-N 3.4Å; F912-G915 PolarHBondContact O-N 3.4Å; N913-G915 VanDerWaalsContact C-N 3.35Å; G915-S917 VanDerWaalsContact C-N 3.25Å; G915-S917 PolarHBondContact O-N 3.43Å; G915-F918 PolarHBondContact O-N 2.85Å; G915-W919 WeakPolarHBondContact O-CB 3.47Å; G915-W919 PolarHBondContact O-N 3.49Å
916S91.3Very high91.1Very high3 Ų330.4 Ų30.42%0.02117%0.165CC..Hα-helixtrans-62.6-32.917776.60000112.7F912 N913 I914 L920 Y943F912-S916 WeakPolarHBondContact O-CB 3.38Å; F912-S916 PolarHBondContact O-N 3.07Å; N913-S916 PolarHBondContact O-N 3.17Å; N913-S916 PolarHBondContact O-OG 2.86Å; I914-S916 VanDerWaalsContact C-N 3.32Å; I914-S916 PolarHBondContact O-N 2.91Å; S916-L920 WeakPolarHBondContact O-CB 3.38Å; S916-L920 PolarHBondContact O-N 2.85Å; S916-Y943 WeakPolarHBondContact O-CE2 3.43Å
917S90.7Very high90.1Very high13 Ų1331 Ų319%0.09117%0.171CC..Hα-helixtrans-78.1-39.2-178.6-580000112.1N913 I914 G915 L920 A921 Y1161N913-S917 PolarHBondContact O-N 2.67Å; N913-S917 VanDerWaalsContact O-N 3.15Å; N913-S917 PolarHBondContact O-OG 3.47Å; N913-S917 VanDerWaalsContact O-OG 3.08Å; I914-S917 PolarHBondContact O-N 2.79Å; G915-S917 VanDerWaalsContact C-N 3.25Å; G915-S917 PolarHBondContact O-N 3.43Å; S917-L920 PolarHBondContact O-N 3.38Å; S917-A921 PolarHBondContact O-N 2.92Å; S917-Y1161 VanDerWaalsContact CB-OH 3.27Å; S917-Y1161 WeakPolarHBondContact CB-OH 3.24Å; S917-Y1161 PolarHBondContact OG-OH 3.39Å
918F93.2Very high88.9Confident57 Ų5730.8 Ų30.825%0.2517%0.17CC..Hα-helixtrans-65.9-39169.6-81.5-70000112I914 G915 L920 A921 H922 V1031 I1034 L1157I914-F918 HydrophobicContact CG2-CD2 3.69Å; I914-F918 HydrophobicContact CG2-CE2 3.65Å; I914-F918 WeakPolarHBondContact O-CD2 3.46Å; I914-F918 PolarHBondContact O-N 3.3Å; G915-F918 PolarHBondContact O-N 2.85Å; F918-L920 VanDerWaalsContact C-N 3.33Å; F918-L920 PolarHBondContact O-N 2.87Å; F918-A921 PolarHBondContact O-N 2.88Å; F918-H922 WeakPolarHBondContact O-CB 3.44Å; F918-H922 PolarHBondContact O-N 3.3Å; F918-V1031 HydrophobicContact CE2-CG2 4.09Å; F918-I1034 HydrophobicContact CE1-CG2 4.12Å; F918-I1034 HydrophobicContact CE2-CD1 4.45Å; F918-I1034 HydrophobicContact CZ-CB 3.98Å; F918-I1034 HydrophobicContact CZ-CD1 4.46Å; F918-I1034 HydrophobicContact CZ-CG2 3.67Å; F918-L1157 HydrophobicContact CD1-CD2 3.82Å; F918-L1157 HydrophobicContact CE1-CD2 3.8Å; F918-L1157 HydrophobicContact CG-CD2 4.35Å; F918-L1157 HydrophobicContact CZ-CD2 4.33Å
919W92.9Very high87.6Confident53 Ų5333.2 Ų33.220%0.20119%0.185CC..Hα-helixtrans-61.2-42.6173.8-176.3-99.3000111.6G915 H922 W923 R939 V942 L946G915-W919 WeakPolarHBondContact O-CB 3.47Å; G915-W919 PolarHBondContact O-N 3.49Å; W919-H922 PolarHBondContact O-N 2.85Å; W919-W923 VanDerWaalsContact O-CB 3.28Å; W919-W923 WeakPolarHBondContact O-CB 3.36Å; W919-W923 PolarHBondContact O-N 3.45Å; W919-R939 PolarHBondContact NE1-O 3.24Å; W919-R939 VanDerWaalsContact NE1-O 3.14Å; W919-V942 HydrophobicContact CD2-CB 4.32Å; W919-V942 HydrophobicContact CD2-CG1 3.6Å; W919-V942 VanDerWaalsContact CE2-CG1 3.41Å; W919-V942 HydrophobicContact CE3-CG1 3.96Å; W919-V942 HydrophobicContact CG-CG1 4.15Å; W919-V942 HydrophobicContact CH2-CB 4.22Å; W919-V942 HydrophobicContact CH2-CG1 3.99Å; W919-V942 HydrophobicContact CH2-CG2 4.25Å; W919-V942 HydrophobicContact CZ2-CB 3.55Å; W919-V942 HydrophobicContact CZ2-CG1 3.62Å; W919-V942 HydrophobicContact CZ2-CG2 3.91Å; W919-V942 HydrophobicContact CZ3-CG1 4.15Å; W919-L946 HydrophobicContact CB-CD1 3.97Å; W919-L946 HydrophobicContact CG-CD1 4.27Å
920L90.8Very high85.9Confident2 Ų239.4 Ų39.41%0.0123%0.225CC..Hα-helixtrans-62.8-42.1175.6-175.363.3000111.9F471 L483 A488 L492 S916 S917 F918 W923 S924 Y943F471-L920 HydrophobicContact CD2-CD1 4.09Å; F471-L920 HydrophobicContact CE2-CD1 3.75Å; F471-L920 HydrophobicContact CE2-CD2 4.08Å; L483-L920 HydrophobicContact CD2-CD1 4.01Å; A488-L920 HydrophobicContact CB-CD1 4.44Å; L492-L920 HydrophobicContact CD2-CD2 4.29Å; S916-L920 WeakPolarHBondContact O-CB 3.38Å; S916-L920 PolarHBondContact O-N 2.85Å; S917-L920 PolarHBondContact O-N 3.38Å; F918-L920 VanDerWaalsContact C-N 3.33Å; F918-L920 PolarHBondContact O-N 2.87Å; L920-W923 HydrophobicContact CD1-CE3 3.85Å; L920-W923 HydrophobicContact CD1-CZ3 4.2Å; L920-S924 WeakPolarHBondContact O-CB 3.43Å; L920-S924 PolarHBondContact O-N 3.02Å; L920-S924 PolarHBondContact O-OG 3.28Å; L920-Y943 HydrophobicContact CB-CE2 4.08Å
921A90.2Very high84.2Confident2 Ų247 Ų472%0.01726%0.259CS..Hα-helixtrans-61.1-45.8174.700000111.8F489 S917 F918 S924 N925 L1157F489-A921 HydrophobicContact CE2-CB 4.43Å; F489-A921 HydrophobicContact CZ-CB 3.86Å; S917-A921 PolarHBondContact O-N 2.92Å; F918-A921 PolarHBondContact O-N 2.88Å; A921-S924 PolarHBondContact O-N 3.34Å; A921-S924 PolarHBondContact O-OG 2.9Å; A921-N925 PolarHBondContact O-N 2.82Å; A921-N925 VanDerWaalsContact O-N 3.12Å; A921-N925 PolarHBondContact O-ND2 3.01Å; A921-L1157 HydrophobicContact CB-CB 4.36Å; A921-L1157 HydrophobicContact CB-CD2 4.15Å
922H89.6Confident82.5Confident83 Ų8346.4 Ų46.438%0.38425%0.254SS..Hα-helixtrans-65.4-47.8178.8-177.859.8000112.2F918 W919 S924 N925 E926F918-H922 WeakPolarHBondContact O-CB 3.44Å; F918-H922 PolarHBondContact O-N 3.3Å; W919-H922 PolarHBondContact O-N 2.85Å; H922-S924 VanDerWaalsContact C-N 3.29Å; H922-S924 PolarHBondContact O-N 2.68Å; H922-N925 PolarHBondContact O-N 3.32Å; H922-E926 IonicContact CE1-OE1 2.97Å; H922-E926 PolarHBondContact CE1-OE1 3.22Å; H922-E926 VanDerWaalsContact CE1-OE1 3.29Å; H922-E926 IonicContact NE2-OE1 3.23Å; H922-E926 PolarHBondContact NE2-OE1 3.19Å; H922-E926 PolarHBondContact O-N 2.69Å
923W88.8Confident80.8Confident6 Ų648.3 Ų48.32%0.02328%0.275CS..Hα-helixtrans-54.4-46.8173.717517.7000110.8F471 V475 L483 W919 L920 N925 E926 A927 R939 I940F471-W923 HydrophobicContact CB-CH2 4.13Å; F471-W923 HydrophobicContact CB-CZ3 4.49Å; F471-W923 HydrophobicContact CD2-CZ3 4.44Å; V475-W923 HydrophobicContact CG2-CZ2 4.13Å; L483-W923 HydrophobicContact CB-CZ2 4.34Å; L483-W923 HydrophobicContact CD2-CD2 3.73Å; L483-W923 HydrophobicContact CD2-CE3 3.63Å; L483-W923 HydrophobicContact CD2-CH2 3.51Å; L483-W923 HydrophobicContact CD2-CZ2 3.6Å; L483-W923 HydrophobicContact CD2-CZ3 3.51Å; W919-W923 VanDerWaalsContact O-CB 3.28Å; W919-W923 WeakPolarHBondContact O-CB 3.36Å; W919-W923 PolarHBondContact O-N 3.45Å; L920-W923 HydrophobicContact CD1-CE3 3.85Å; L920-W923 HydrophobicContact CD1-CZ3 4.2Å; W923-N925 VanDerWaalsContact C-N 3.32Å; W923-N925 PolarHBondContact O-N 2.79Å; W923-E926 PolarHBondContact O-N 3.38Å; W923-A927 WeakPolarHBondContact O-CB 3.24Å; W923-A927 PolarHBondContact O-N 3.37Å; W923-R939 VanDerWaalsContact CD1-CD 3.47Å; W923-R939 HydrophobicContact CD2-CB 4.13Å; W923-R939 HydrophobicContact CG-CB 4.17Å; W923-R939 HydrophobicContact CG-CG 4.31Å; W923-I940 HydrophobicContact CH2-CG1 4Å; W923-I940 HydrophobicContact CZ2-CG1 4.25Å
924S88.1Confident79.9Confident0 Ų050.3 Ų50.30%028%0.283CS..Hα-helixtrans-64.1-35-17971.10000113.7L483 P485 L920 A921 H922L483-S924 WeakPolarHBondContact O-CA 3.41Å; P485-S924 WeakPolarHBondContact CD-O 3.33Å; L920-S924 WeakPolarHBondContact O-CB 3.43Å; L920-S924 PolarHBondContact O-N 3.02Å; L920-S924 PolarHBondContact O-OG 3.28Å; A921-S924 PolarHBondContact O-N 3.34Å; A921-S924 PolarHBondContact O-OG 2.9Å; H922-S924 VanDerWaalsContact C-N 3.29Å; H922-S924 PolarHBondContact O-N 2.68Å
925N86Confident79.2Confident38 Ų3852 Ų5220%0.20330%0.297CS..Hα-helixtrans-73.1-45.5176.7-72.8-33000111.9A921 H922 W923 A927 L928 S1151 G1153A921-N925 PolarHBondContact O-N 2.82Å; A921-N925 VanDerWaalsContact O-N 3.12Å; A921-N925 PolarHBondContact O-ND2 3.01Å; H922-N925 PolarHBondContact O-N 3.32Å; W923-N925 VanDerWaalsContact C-N 3.32Å; W923-N925 PolarHBondContact O-N 2.79Å; N925-A927 PolarHBondContact O-N 3.47Å; N925-L928 WeakPolarHBondContact O-CB 3.38Å; N925-L928 PolarHBondContact O-N 2.99Å; N925-S1151 VanDerWaalsContact ND2-CB 3.26Å; N925-S1151 WeakPolarHBondContact ND2-CB 3.44Å; N925-S1151 PolarHBondContact ND2-OG 3.31Å; N925-G1153 WeakPolarHBondContact OD1-CA 3.2Å; N925-G1153 PolarHBondContact OD1-N 3.49Å
926E79.2Confident78.6Confident37 Ų3753.3 Ų53.317%0.17330%0.299CS..Hα-helixtrans-71.2-17.5179.4-68.3-165.3153.600113.5H922 W923 L928 S929 R939H922-E926 IonicContact CE1-OE1 2.97Å; H922-E926 PolarHBondContact CE1-OE1 3.22Å; H922-E926 VanDerWaalsContact CE1-OE1 3.29Å; H922-E926 IonicContact NE2-OE1 3.23Å; H922-E926 PolarHBondContact NE2-OE1 3.19Å; H922-E926 PolarHBondContact O-N 2.69Å; W923-E926 PolarHBondContact O-N 3.38Å; E926-L928 PolarHBondContact O-N 3.13Å; E926-S929 VanDerWaalsContact O-CA 3.27Å; E926-S929 WeakPolarHBondContact O-CA 3.46Å; E926-S929 PolarHBondContact O-N 2.89Å; E926-R939 PolarHBondContact O-NH2 3.06Å; E926-R939 IonicContact OE2-CZ 3.4Å; E926-R939 IonicContact OE2-NE 2.75Å; E926-R939 IonicContact OE2-NH2 3.28Å; E926-R939 PolarHBondContact OE2-NH2 3.41Å
927A71.9Confident78.1Confident16 Ų1660.5 Ų60.513%0.13233%0.333CS..THydrogen-bonded Turntrans-66.6-23.8175.900000111.9I482 L483 W923 N925 S929I482-A927 HydrophobicContact CG2-CB 3.61Å; I482-A927 VanDerWaalsContact CG2-O 3.23Å; I482-A927 WeakPolarHBondContact CG2-O 3.41Å; L483-A927 WeakPolarHBondContact O-CB 3.42Å; W923-A927 WeakPolarHBondContact O-CB 3.24Å; W923-A927 PolarHBondContact O-N 3.37Å; N925-A927 PolarHBondContact O-N 3.47Å; A927-S929 VanDerWaalsContact C-N 3.26Å
928L70Confident77.9Confident81 Ų8162.9 Ų62.942%0.42435%0.347SS..THydrogen-bonded Turntrans-77.5-15.3171.2-62.2159.9000112.4D484 P485 N925 E926 P930D484-L928 HydrophobicContact CB-CD2 4.29Å; P485-L928 HydrophobicContact CG-CD1 4.24Å; N925-L928 WeakPolarHBondContact O-CB 3.38Å; N925-L928 PolarHBondContact O-N 2.99Å; E926-L928 PolarHBondContact O-N 3.13Å; L928-P930 VanDerWaalsContact O-CD 3.27Å; L928-P930 WeakPolarHBondContact O-CD 3.45Å
929S67.5Low77.5Confident61 Ų6160.8 Ų60.843%0.42734%0.337SS..  trans-60.499.7170.985.70000119.6E926 A927 E931 S932E926-S929 VanDerWaalsContact O-CA 3.27Å; E926-S929 WeakPolarHBondContact O-CA 3.46Å; E926-S929 PolarHBondContact O-N 2.89Å; A927-S929 VanDerWaalsContact C-N 3.26Å; S929-E931 PolarHBondContact O-N 3.09Å; S929-E931 VanDerWaalsContact O-N 3.17Å; S929-S932 PolarHBondContact O-N 3.18Å
930P57.5Low77.2Confident132 Ų13259.7 Ų59.786%0.85734%0.335SS*.THydrogen-bonded Turntrans-62-22.8172.422.1-31.4000113.8L928L928-P930 VanDerWaalsContact O-CD 3.27Å; L928-P930 WeakPolarHBondContact O-CD 3.45Å
931E57.2Low77Confident178 Ų17861.8 Ų61.883%0.83236%0.357SS*.THydrogen-bonded Turntrans-95.923.1-179.2-62.3-176168.600114.1S929 S933S929-E931 PolarHBondContact O-N 3.09Å; S929-E931 VanDerWaalsContact O-N 3.17Å; E931-S933 PolarHBondContact O-N 2.91Å
932S57.3Low77.1Confident54 Ų5464.7 Ų64.738%0.37837%0.374SS..  trans-55.7124.5-170.462.50000113.8S929 H934 R939S929-S932 PolarHBondContact O-N 3.18Å; S932-H934 VanDerWaalsContact C-N 3.31Å; S932-H934 PolarHBondContact O-N 3.44Å; S932-R939 VanDerWaalsContact CB-NH2 3.27Å
933S58.2Low77.1Confident101 Ų10161.3 Ų61.371%0.70636%0.359SS*.SBendtrans-74-18.1-174.4-29.50000114.2E931E931-S933 PolarHBondContact O-N 2.91Å
934H71.3Confident77Confident86 Ų8661.7 Ų61.740%0.39836%0.364SS..SBendtrans-119.9132.2-169.7-67.4-55.5000111.6S932 R939S932-H934 VanDerWaalsContact C-N 3.31Å; S932-H934 PolarHBondContact O-N 3.44Å; H934-R939 HydrophobicContact CB-CG 4.29Å
935S79.2Confident77.1Confident61 Ų6163.5 Ų63.543%0.42738%0.383SS..  trans-65.4152.8176.472.90000111.5E937 T938 R939S935-E937 PolarHBondContact O-N 3.34Å; S935-T938 PolarHBondContact N-OG1 2.95Å; S935-T938 VanDerWaalsContact N-OG1 3.1Å; S935-T938 PolarHBondContact O-N 3.05Å; S935-T938 PolarHBondContact O-OG1 3.17Å; S935-T938 WeakPolarHBondContact OG-CG2 3.5Å; S935-T938 PolarHBondContact OG-N 3.22Å; S935-T938 PolarHBondContact OG-OG1 3.09Å; S935-R939 PolarHBondContact O-N 3.27Å; S935-R939 VanDerWaalsContact O-N 3.1Å
936V79.9Confident77.4Confident55 Ų5563.5 Ų63.533%0.33338%0.383SS..Hα-helixtrans-51.3-42174.3170.60000111.5V475 L476 T938 R939 I940V475-V936 HydrophobicContact CB-CG1 4.31Å; V475-V936 HydrophobicContact CG1-CB 4.41Å; V475-V936 HydrophobicContact CG1-CG1 3.45Å; V475-V936 VanDerWaalsContact CG1-CG1 3.45Å; V475-V936 HydrophobicContact CG1-CG2 4.04Å; L476-V936 HydrophobicContact CD2-CG1 4.28Å; V936-T938 PolarHBondContact O-N 3Å; V936-R939 PolarHBondContact O-N 3.48Å; V936-I940 HydrophobicContact CG1-CD1 3.8Å; V936-I940 HydrophobicContact CG1-CG1 4.49Å; V936-I940 WeakPolarHBondContact O-CG1 3.37Å; V936-I940 PolarHBondContact O-N 2.91Å
937E80.8Confident77.8Confident155 Ų15561.9 Ų61.972%0.72438%0.376SS*.Hα-helixtrans-62-42.1177.9-62.9179.5177.300112.3S935 R939 I940 G941S935-E937 PolarHBondContact O-N 3.34Å; E937-R939 VanDerWaalsContact C-N 3.34Å; E937-R939 PolarHBondContact O-N 3.1Å; E937-I940 PolarHBondContact O-N 3.31Å; E937-G941 PolarHBondContact O-N 3.42Å
938T85.5Confident78.6Confident63 Ų6366.1 Ų66.139%0.38740%0.395SS..Hα-helixtrans-65.3-37.7176.558.20000112S935 V936 G941 V942S935-T938 PolarHBondContact N-OG1 2.95Å; S935-T938 VanDerWaalsContact N-OG1 3.1Å; S935-T938 PolarHBondContact O-N 3.05Å; S935-T938 PolarHBondContact O-OG1 3.17Å; S935-T938 WeakPolarHBondContact OG-CG2 3.5Å; S935-T938 PolarHBondContact OG-N 3.22Å; S935-T938 PolarHBondContact OG-OG1 3.09Å; V936-T938 PolarHBondContact O-N 3Å; T938-G941 PolarHBondContact O-N 2.9Å; T938-V942 WeakPolarHBondContact O-CG2 3.23Å; T938-V942 PolarHBondContact O-N 3.48Å
939R85.7Confident79.7Confident12 Ų1263.3 Ų63.35%0.04538%0.384CS..Hα-helixtrans-64.5-46.9177.4-72.4159.3162.3-174.2-2.2112.1W919 W923 E926 S932 H934 S935 V936 E937 G941 Y943W919-R939 PolarHBondContact NE1-O 3.24Å; W919-R939 VanDerWaalsContact NE1-O 3.14Å; W923-R939 VanDerWaalsContact CD1-CD 3.47Å; W923-R939 HydrophobicContact CD2-CB 4.13Å; W923-R939 HydrophobicContact CG-CB 4.17Å; W923-R939 HydrophobicContact CG-CG 4.31Å; E926-R939 PolarHBondContact O-NH2 3.06Å; E926-R939 IonicContact OE2-CZ 3.4Å; E926-R939 IonicContact OE2-NE 2.75Å; E926-R939 IonicContact OE2-NH2 3.28Å; E926-R939 PolarHBondContact OE2-NH2 3.41Å; S932-R939 VanDerWaalsContact CB-NH2 3.27Å; H934-R939 HydrophobicContact CB-CG 4.29Å; S935-R939 PolarHBondContact O-N 3.27Å; S935-R939 VanDerWaalsContact O-N 3.1Å; V936-R939 PolarHBondContact O-N 3.48Å; E937-R939 VanDerWaalsContact C-N 3.34Å; E937-R939 PolarHBondContact O-N 3.1Å; R939-G941 VanDerWaalsContact C-N 3.34Å; R939-Y943 WeakPolarHBondContact O-CB 3.26Å; R939-Y943 PolarHBondContact O-N 2.83Å; R939-Y943 VanDerWaalsContact O-N 3.14Å
940I86.8Confident80.8Confident30 Ų3061.5 Ų61.515%0.15437%0.368CS..Hα-helixtrans-64.1-42174.5-64.6169.6000110.2A472 L476 W923 V936 E937 G944A472-I940 HydrophobicContact CB-CD1 4.19Å; A472-I940 HydrophobicContact CB-CG2 4.36Å; L476-I940 HydrophobicContact CD1-CD1 4.44Å; L476-I940 HydrophobicContact CG-CD1 4.3Å; W923-I940 HydrophobicContact CH2-CG1 4Å; W923-I940 HydrophobicContact CZ2-CG1 4.25Å; V936-I940 HydrophobicContact CG1-CD1 3.8Å; V936-I940 HydrophobicContact CG1-CG1 4.49Å; V936-I940 WeakPolarHBondContact O-CG1 3.37Å; V936-I940 PolarHBondContact O-N 2.91Å; E937-I940 PolarHBondContact O-N 3.31Å; I940-G944 WeakPolarHBondContact O-CA 3.22Å; I940-G944 PolarHBondContact O-N 3.33Å
941G87.5Confident82.2Confident46 Ų4655.2 Ų55.247%0.47433%0.328SS..Hα-helixtrans-63.6-45.2-179.700000113.6E937 T938 R939 G944 G945E937-G941 PolarHBondContact O-N 3.42Å; T938-G941 PolarHBondContact O-N 2.9Å; R939-G941 VanDerWaalsContact C-N 3.34Å; G941-G944 PolarHBondContact O-N 2.96Å; G941-G945 PolarHBondContact O-N 2.74Å
942V90.5Very high83.8Confident63 Ų6350.3 Ų50.338%0.38231%0.307SS..Hα-helixtrans-66.4-46.3176.6173.30000110.8W919 T938 G944 G945 L946W919-V942 HydrophobicContact CD2-CB 4.32Å; W919-V942 HydrophobicContact CD2-CG1 3.6Å; W919-V942 VanDerWaalsContact CE2-CG1 3.41Å; W919-V942 HydrophobicContact CE3-CG1 3.96Å; W919-V942 HydrophobicContact CG-CG1 4.15Å; W919-V942 HydrophobicContact CH2-CB 4.22Å; W919-V942 HydrophobicContact CH2-CG1 3.99Å; W919-V942 HydrophobicContact CH2-CG2 4.25Å; W919-V942 HydrophobicContact CZ2-CB 3.55Å; W919-V942 HydrophobicContact CZ2-CG1 3.62Å; W919-V942 HydrophobicContact CZ2-CG2 3.91Å; W919-V942 HydrophobicContact CZ3-CG1 4.15Å; T938-V942 WeakPolarHBondContact O-CG2 3.23Å; T938-V942 PolarHBondContact O-N 3.48Å; V942-G944 VanDerWaalsContact C-N 3.35Å; V942-G944 PolarHBondContact O-N 3.09Å; V942-G945 PolarHBondContact O-N 2.92Å; V942-L946 HydrophobicContact CG1-CD1 4.17Å; V942-L946 WeakPolarHBondContact O-CG 3.48Å; V942-L946 PolarHBondContact O-N 2.92Å
943Y89.9Confident85.6Confident13 Ų1350.3 Ų50.35%0.05130%0.3CS..Hα-helixtrans-58.8-49.3176.1-173.4-109.4000110.6F464 V467 V468 S916 L920 R939 G945 L946 G947F464-Y943 HydrophobicContact CD2-CE1 4.09Å; F464-Y943 AromaticContact CE2-CD1 3.83Å; F464-Y943 HydrophobicContact CE2-CD1 3.83Å; F464-Y943 AromaticContact CE2-CE1 3.49Å; F464-Y943 HydrophobicContact CE2-CE1 3.49Å; F464-Y943 VanDerWaalsContact CE2-CE1 3.49Å; F464-Y943 HydrophobicContact CE2-CE2 4.24Å; F464-Y943 HydrophobicContact CE2-CG 4.32Å; F464-Y943 AromaticContact CE2-CZ 3.72Å; F464-Y943 WeakPolarHBondContact CE2-O 2.84Å; F464-Y943 HydrophobicContact CZ-CD1 4.19Å; F464-Y943 HydrophobicContact CZ-CE1 4.19Å; F464-Y943 WeakPolarHBondContact CZ-O 3.43Å; V467-Y943 HydrophobicContact CG1-CE1 4.01Å; V467-Y943 WeakPolarHBondContact CG1-OH 3.19Å; V468-Y943 HydrophobicContact CG2-CD1 3.73Å; V468-Y943 HydrophobicContact CG2-CE1 3.7Å; S916-Y943 WeakPolarHBondContact O-CE2 3.43Å; L920-Y943 HydrophobicContact CB-CE2 4.08Å; R939-Y943 WeakPolarHBondContact O-CB 3.26Å; R939-Y943 PolarHBondContact O-N 2.83Å; R939-Y943 VanDerWaalsContact O-N 3.14Å; Y943-G945 PolarHBondContact O-N 3.36Å; Y943-L946 PolarHBondContact O-N 2.83Å; Y943-G947 PolarHBondContact O-N 3.05Å
944G87.9Confident87.1Confident13 Ų1345.7 Ų45.713%0.13427%0.267CS..Hα-helixtrans-48.7-53.6171.500000113.2I940 G941 V942 G947 I948I940-G944 WeakPolarHBondContact O-CA 3.22Å; I940-G944 PolarHBondContact O-N 3.33Å; G941-G944 PolarHBondContact O-N 2.96Å; V942-G944 VanDerWaalsContact C-N 3.35Å; V942-G944 PolarHBondContact O-N 3.09Å; G944-G947 PolarHBondContact O-N 3.28Å; G944-I948 WeakPolarHBondContact O-CG1 3.47Å; G944-I948 PolarHBondContact O-N 3.14Å
945G90.3Very high88Confident38 Ų3843 Ų4339%0.39226%0.256SS..Hα-helixtrans-62.6-42.1-179.200000113.2G941 V942 Y943 G947 I948 A949G941-G945 PolarHBondContact O-N 2.74Å; V942-G945 PolarHBondContact O-N 2.92Å; Y943-G945 PolarHBondContact O-N 3.36Å; G945-G947 PolarHBondContact O-N 3.33Å; G945-I948 PolarHBondContact O-N 3.13Å; G945-A949 WeakPolarHBondContact O-CB 3.32Å; G945-A949 PolarHBondContact O-N 3.04Å
946L91.6Very high88.6Confident39 Ų3944.9 Ų44.920%0.20426%0.257CS..Hα-helixtrans-61.1-42.5175.9-72.2171.3000111.7F912 W919 V942 Y943 A949 Q950F912-L946 HydrophobicContact CD1-CD2 3.94Å; W919-L946 HydrophobicContact CB-CD1 3.97Å; W919-L946 HydrophobicContact CG-CD1 4.27Å; V942-L946 HydrophobicContact CG1-CD1 4.17Å; V942-L946 WeakPolarHBondContact O-CG 3.48Å; V942-L946 PolarHBondContact O-N 2.92Å; Y943-L946 PolarHBondContact O-N 2.83Å; L946-A949 PolarHBondContact O-N 3.31Å; L946-Q950 WeakPolarHBondContact O-CB 3.27Å; L946-Q950 PolarHBondContact O-N 3.29Å
947G88Confident89.1Confident3 Ų342.3 Ų42.33%0.03124%0.241CC..Hα-helixtrans-74.2-31.3177.200000114.2F464 Y943 G944 G945 Q950 G951F464-G947 VanDerWaalsContact CE1-CA 3.49Å; Y943-G947 PolarHBondContact O-N 3.05Å; G944-G947 PolarHBondContact O-N 3.28Å; G945-G947 PolarHBondContact O-N 3.33Å; G947-Q950 WeakPolarHBondContact O-CB 3.48Å; G947-Q950 PolarHBondContact O-N 2.98Å; G947-G951 PolarHBondContact O-N 3.12Å
948I88.3Confident89.5Confident104 Ų10435 Ų3553%0.53321%0.207SC..Hα-helixtrans-63.4-45.1169.8-68.9168.5000110.1G944 G945 G951 L952G944-I948 WeakPolarHBondContact O-CG1 3.47Å; G944-I948 PolarHBondContact O-N 3.14Å; G945-I948 PolarHBondContact O-N 3.13Å; I948-G951 PolarHBondContact O-N 2.98Å; I948-L952 HydrophobicContact CG2-CD1 4.08Å; I948-L952 HydrophobicContact CG2-CG 4.38Å; I948-L952 WeakPolarHBondContact O-CG 3.26Å; I948-L952 PolarHBondContact O-N 3.05Å
949A91.8Very high89.6Confident23 Ų2334.1 Ų34.119%0.1920%0.2CC..Hα-helixtrans-60.9-45.3175.600000111.6F912 G945 L946 G951 L952 F953F912-A949 HydrophobicContact CD1-CB 3.95Å; F912-A949 HydrophobicContact CD2-CB 3.97Å; F912-A949 HydrophobicContact CE1-CB 3.95Å; F912-A949 HydrophobicContact CE2-CB 3.98Å; F912-A949 HydrophobicContact CG-CB 3.97Å; F912-A949 HydrophobicContact CZ-CB 3.97Å; G945-A949 WeakPolarHBondContact O-CB 3.32Å; G945-A949 PolarHBondContact O-N 3.04Å; L946-A949 PolarHBondContact O-N 3.31Å; A949-G951 VanDerWaalsContact C-N 3.3Å; A949-G951 PolarHBondContact O-N 3.42Å; A949-L952 PolarHBondContact O-N 3.33Å; A949-F953 VanDerWaalsContact O-CD2 3.32Å; A949-F953 WeakPolarHBondContact O-CD2 3.26Å; A949-F953 PolarHBondContact O-N 2.87Å
950Q91Very high89.8Confident22 Ų2238 Ų3810%0.10322%0.217CC..Hα-helixtrans-52.6-49.3171.9-180-174.4-1.100111.1S909 F912 N913 L946 G947 I954S909-Q950 VanDerWaalsContact OG-CG 3.24Å; S909-Q950 WeakPolarHBondContact OG-CG 3.4Å; S909-Q950 PolarHBondContact OG-O 2.99Å; F912-Q950 HydrophobicContact CB-CB 3.86Å; N913-Q950 HydrophobicContact CB-CG 4.48Å; N913-Q950 PolarHBondContact ND2-NE2 3.05Å; N913-Q950 PolarHBondContact ND2-OE1 2.97Å; L946-Q950 WeakPolarHBondContact O-CB 3.27Å; L946-Q950 PolarHBondContact O-N 3.29Å; G947-Q950 WeakPolarHBondContact O-CB 3.48Å; G947-Q950 PolarHBondContact O-N 2.98Å; Q950-I954 PolarHBondContact O-N 3.49Å; Q950-I954 VanDerWaalsContact O-N 3.12Å
951G88.4Confident89.9Confident1 Ų137 Ų371%0.0121%0.212CC..Hα-helixtrans-61.9-46.7-179.700000113.1F457 C461 G947 I948 A949 I954 L955F457-G951 WeakPolarHBondContact CD2-O 3.19Å; C461-G951 VanDerWaalsContact SG-CA 3.59Å; G947-G951 PolarHBondContact O-N 3.12Å; I948-G951 PolarHBondContact O-N 2.98Å; A949-G951 VanDerWaalsContact C-N 3.3Å; A949-G951 PolarHBondContact O-N 3.42Å; G951-I954 PolarHBondContact O-N 3.33Å; G951-L955 WeakPolarHBondContact O-CB 3.33Å; G951-L955 PolarHBondContact O-N 2.92Å
952L90.6Very high89.7Confident74 Ų7435.9 Ų35.939%0.38720%0.197SC..Hα-helixtrans-63.2-44178.8-72.1174.7000112.2I948 A949 I954 L955 F956I948-L952 HydrophobicContact CG2-CD1 4.08Å; I948-L952 HydrophobicContact CG2-CG 4.38Å; I948-L952 WeakPolarHBondContact O-CG 3.26Å; I948-L952 PolarHBondContact O-N 3.05Å; A949-L952 PolarHBondContact O-N 3.33Å; L952-I954 VanDerWaalsContact C-N 3.34Å; L952-I954 PolarHBondContact O-N 3.48Å; L952-L955 WeakPolarHBondContact O-CB 3.33Å; L952-L955 PolarHBondContact O-N 3.26Å; L952-F956 HydrophobicContact CB-CE2 4.45Å; L952-F956 WeakPolarHBondContact O-CD2 3.42Å; L952-F956 PolarHBondContact O-N 2.86Å
953F93.6Very high89.5Confident54 Ų5437.6 Ų37.624%0.23720%0.197CC..Hα-helixtrans-61.9-41.9177.2-89.7-112.8000111.8F904 L905 F912 A949 G957F904-F953 HydrophobicContact CE1-CE1 4.14Å; F904-F953 HydrophobicContact CZ-CE1 4.33Å; L905-F953 HydrophobicContact CD2-CD1 4.04Å; L905-F953 HydrophobicContact CD2-CE1 4.34Å; F912-F953 HydrophobicContact CD2-CD2 4.2Å; F912-F953 HydrophobicContact CD2-CE2 4.5Å; F912-F953 HydrophobicContact CD2-CG 4.35Å; F912-F953 HydrophobicContact CE2-CD1 4.32Å; F912-F953 AromaticContact CE2-CD2 3.66Å; F912-F953 HydrophobicContact CE2-CD2 3.66Å; F912-F953 HydrophobicContact CE2-CE1 4.22Å; F912-F953 AromaticContact CE2-CE2 3.53Å; F912-F953 HydrophobicContact CE2-CE2 3.53Å; F912-F953 HydrophobicContact CE2-CG 4.06Å; F912-F953 AromaticContact CE2-CZ 3.83Å; F912-F953 HydrophobicContact CE2-CZ 3.83Å; F912-F953 HydrophobicContact CZ-CE2 4.2Å; F912-F953 HydrophobicContact CZ-CZ 4.44Å; A949-F953 VanDerWaalsContact O-CD2 3.32Å; A949-F953 WeakPolarHBondContact O-CD2 3.26Å; A949-F953 PolarHBondContact O-N 2.87Å; F953-G957 PolarHBondContact O-N 2.95Å
954I90.5Very high89.4Confident4 Ų437.3 Ų37.32%0.02120%0.198CC..Hα-helixtrans-65.9-39.9172.8-94.2163.2000111.9T460 S909 Q950 G951 L952 G957 T958 M1020T460-I954 HydrophobicContact CG2-CB 4.4Å; T460-I954 HydrophobicContact CG2-CD1 3.34Å; T460-I954 HydrophobicContact CG2-CG1 4.42Å; T460-I954 HydrophobicContact CG2-CG2 4.04Å; S909-I954 WeakPolarHBondContact OG-CD1 3.35Å; S909-I954 WeakPolarHBondContact OG-CG1 3.39Å; Q950-I954 PolarHBondContact O-N 3.49Å; Q950-I954 VanDerWaalsContact O-N 3.12Å; G951-I954 PolarHBondContact O-N 3.33Å; L952-I954 VanDerWaalsContact C-N 3.34Å; L952-I954 PolarHBondContact O-N 3.48Å; I954-G957 PolarHBondContact O-N 3Å; I954-T958 HydrophobicContact CG2-CG2 4.25Å; I954-T958 VanDerWaalsContact O-CB 3.32Å; I954-T958 WeakPolarHBondContact O-CB 3.37Å; I954-T958 WeakPolarHBondContact O-CG2 3.41Å; I954-T958 PolarHBondContact O-N 2.95Å; I954-T958 PolarHBondContact O-OG1 3.27Å; I954-M1020 HydrophobicContact CD1-CE 3.78Å; I954-M1020 HydrophobicContact CD1-SD 4.16Å; I954-M1020 HydrophobicContact CG1-SD 4.46Å
955L90.1Very high89.2Confident30 Ų3036.8 Ų36.816%0.15719%0.192CC..Hα-helixtrans-60.7-53.2177.8176.963000110.7F457 G951 L952 G957 T958 L959F457-L955 HydrophobicContact CB-CB 4.16Å; F457-L955 HydrophobicContact CB-CD1 3.76Å; F457-L955 HydrophobicContact CB-CG 4.45Å; F457-L955 HydrophobicContact CD2-CB 3.84Å; F457-L955 HydrophobicContact CD2-CD2 4.36Å; F457-L955 HydrophobicContact CG-CB 4.23Å; F457-L955 HydrophobicContact CG-CD1 4.2Å; F457-L955 HydrophobicContact CG-CD2 4.45Å; G951-L955 WeakPolarHBondContact O-CB 3.33Å; G951-L955 PolarHBondContact O-N 2.92Å; L952-L955 WeakPolarHBondContact O-CB 3.33Å; L952-L955 PolarHBondContact O-N 3.26Å; L955-G957 PolarHBondContact O-N 3.01Å; L955-T958 PolarHBondContact O-N 3.43Å; L955-T958 PolarHBondContact O-OG1 3.49Å; L955-L959 HydrophobicContact CD1-CD1 3.88Å; L955-L959 HydrophobicContact CD1-CG 4.14Å; L955-L959 HydrophobicContact CG-CD1 3.93Å; L955-L959 WeakPolarHBondContact O-CB 3.35Å; L955-L959 WeakPolarHBondContact O-CG 3.49Å; L955-L959 PolarHBondContact O-N 2.97Å
956F91.8Very high89.1Confident101 Ų10135.4 Ų35.444%0.44318%0.176SC..Hα-helixtrans-62.4-45.3177.2-69-62000111.2L905 L952 T958 L959 F960L905-F956 HydrophobicContact CD1-CB 4Å; L905-F956 HydrophobicContact CD2-CB 4.31Å; L952-F956 HydrophobicContact CB-CE2 4.45Å; L952-F956 WeakPolarHBondContact O-CD2 3.42Å; L952-F956 PolarHBondContact O-N 2.86Å; F956-T958 VanDerWaalsContact C-N 3.3Å; F956-T958 PolarHBondContact O-N 3.41Å; F956-L959 PolarHBondContact O-N 3.48Å; F956-F960 HydrophobicContact CB-CD2 4.42Å; F956-F960 VanDerWaalsContact O-CD2 3.27Å; F956-F960 WeakPolarHBondContact O-CD2 3.37Å; F956-F960 PolarHBondContact O-N 2.9Å
957G91.2Very high88.9Confident0 Ų035.1 Ų35.10%017%0.174CC..Hα-helixtrans-57.4-41.9178.300000112.7Y906 F953 I954 L955 L961Y906-G957 WeakPolarHBondContact CE2-O 3.43Å; F953-G957 PolarHBondContact O-N 2.95Å; I954-G957 PolarHBondContact O-N 3Å; L955-G957 PolarHBondContact O-N 3.01Å; G957-L961 WeakPolarHBondContact O-CB 3.38Å; G957-L961 PolarHBondContact O-N 3.12Å
958T88.1Confident89Confident2 Ų235 Ų351%0.01217%0.172CC..Hα-helixtrans-71.1-38.9177.555.20000112.8Y906 I954 L955 F956 S962Y906-T958 WeakPolarHBondContact OH-CG2 3.34Å; I954-T958 HydrophobicContact CG2-CG2 4.25Å; I954-T958 VanDerWaalsContact O-CB 3.32Å; I954-T958 WeakPolarHBondContact O-CB 3.37Å; I954-T958 WeakPolarHBondContact O-CG2 3.41Å; I954-T958 PolarHBondContact O-N 2.95Å; I954-T958 PolarHBondContact O-OG1 3.27Å; L955-T958 PolarHBondContact O-N 3.43Å; L955-T958 PolarHBondContact O-OG1 3.49Å; F956-T958 VanDerWaalsContact C-N 3.3Å; F956-T958 PolarHBondContact O-N 3.41Å; T958-S962 VanDerWaalsContact O-CB 3.28Å; T958-S962 WeakPolarHBondContact O-CB 3.45Å; T958-S962 PolarHBondContact O-N 2.97Å; T958-S962 PolarHBondContact O-OG 2.99Å
959L88.7Confident89.1Confident44 Ų4430 Ų3023%0.2315%0.147CC..Hα-helixtrans-65.8-48.2177.2-68.9170.3000111.7Y450 L955 F956 S962 Y963Y450-L959 HydrophobicContact CD1-CD2 3.79Å; L955-L959 HydrophobicContact CD1-CD1 3.88Å; L955-L959 HydrophobicContact CD1-CG 4.14Å; L955-L959 HydrophobicContact CG-CD1 3.93Å; L955-L959 WeakPolarHBondContact O-CB 3.35Å; L955-L959 WeakPolarHBondContact O-CG 3.49Å; L955-L959 PolarHBondContact O-N 2.97Å; F956-L959 PolarHBondContact O-N 3.48Å; L959-S962 PolarHBondContact O-N 2.91Å; L959-Y963 WeakPolarHBondContact O-CB 3.24Å; L959-Y963 PolarHBondContact O-N 2.86Å
960F89.4Confident89.1Confident93 Ų9330.8 Ų30.841%0.40815%0.147SC..Hα-helixtrans-63.6-45.9177.6-84.5-80.1000111.7F901 I902 L905 F956 S962 Y963 A964F901-F960 HydrophobicContact CD1-CD1 4.46Å; F901-F960 HydrophobicContact CD1-CG 4.45Å; F901-F960 HydrophobicContact CE1-CD1 4.45Å; F901-F960 AromaticContact CE1-CD2 3.96Å; F901-F960 HydrophobicContact CE1-CD2 3.96Å; F901-F960 HydrophobicContact CE1-CE1 4.26Å; F901-F960 AromaticContact CE1-CE2 3.78Å; F901-F960 HydrophobicContact CE1-CE2 3.78Å; F901-F960 HydrophobicContact CE1-CG 4.32Å; F901-F960 AromaticContact CE1-CZ 3.93Å; F901-F960 HydrophobicContact CE1-CZ 3.93Å; I902-F960 HydrophobicContact CD1-CB 4.49Å; I902-F960 HydrophobicContact CG1-CB 3.94Å; L905-F960 HydrophobicContact CD1-CD2 4.14Å; F956-F960 HydrophobicContact CB-CD2 4.42Å; F956-F960 VanDerWaalsContact O-CD2 3.27Å; F956-F960 WeakPolarHBondContact O-CD2 3.37Å; F956-F960 PolarHBondContact O-N 2.9Å; F960-S962 PolarHBondContact O-N 3.23Å; F960-Y963 PolarHBondContact O-N 3.5Å; F960-A964 WeakPolarHBondContact O-CB 3.44Å; F960-A964 PolarHBondContact O-N 3.42Å
961L88.5Confident89.1Confident9 Ų935.8 Ų35.85%0.04717%0.165CC..Hα-helixtrans-57.8-48.8175.7-178.768.5000111.1I902 Y906 G957 Y963 A964 M965 V1015 R1016 M1019I902-L961 HydrophobicContact CD1-CB 4.25Å; I902-L961 HydrophobicContact CD1-CD1 4.2Å; I902-L961 HydrophobicContact CG2-CB 4.17Å; I902-L961 HydrophobicContact CG2-CD1 4.17Å; Y906-L961 HydrophobicContact CE2-CD2 4.35Å; G957-L961 WeakPolarHBondContact O-CB 3.38Å; G957-L961 PolarHBondContact O-N 3.12Å; L961-Y963 PolarHBondContact O-N 3.46Å; L961-A964 PolarHBondContact O-N 2.95Å; L961-M965 HydrophobicContact CD1-CE 3.43Å; L961-M965 VanDerWaalsContact CD1-CE 3.43Å; L961-M965 HydrophobicContact CD1-CG 4.15Å; L961-M965 HydrophobicContact CG-CE 4.36Å; L961-M965 HydrophobicContact CG-CG 4.32Å; L961-M965 WeakPolarHBondContact O-CB 3.5Å; L961-M965 WeakPolarHBondContact O-CG 3.25Å; L961-M965 PolarHBondContact O-N 3.22Å; L961-V1015 HydrophobicContact CD1-CG1 4.48Å; L961-R1016 HydrophobicContact CD2-CB 3.71Å; L961-R1016 HydrophobicContact CD2-CG 4.18Å; L961-M1019 HydrophobicContact CD2-CE 4.21Å
962S84.3Confident89.2Confident23 Ų2336.9 Ų36.916%0.16117%0.17CC..Hα-helixtrans-65.8-38.8-177.5-53.30000112T958 L959 F960 V966T958-S962 VanDerWaalsContact O-CB 3.28Å; T958-S962 WeakPolarHBondContact O-CB 3.45Å; T958-S962 PolarHBondContact O-N 2.97Å; T958-S962 PolarHBondContact O-OG 2.99Å; L959-S962 PolarHBondContact O-N 2.91Å; F960-S962 PolarHBondContact O-N 3.23Å; S962-V966 WeakPolarHBondContact O-CG2 3.34Å; S962-V966 PolarHBondContact O-N 3.32Å
963Y85.4Confident89.4Confident100 Ų10033.5 Ų33.539%0.39215%0.152SC..Hα-helixtrans-63.6-48.4175.1178.4-101.9000112.3L959 F960 L961 M965 V966 I967L959-Y963 WeakPolarHBondContact O-CB 3.24Å; L959-Y963 PolarHBondContact O-N 2.86Å; F960-Y963 PolarHBondContact O-N 3.5Å; L961-Y963 PolarHBondContact O-N 3.46Å; Y963-M965 VanDerWaalsContact C-N 3.32Å; Y963-M965 PolarHBondContact O-N 3.41Å; Y963-V966 PolarHBondContact O-N 3.39Å; Y963-I967 HydrophobicContact CD1-CD1 3.87Å; Y963-I967 HydrophobicContact CE1-CD1 3.25Å; Y963-I967 HydrophobicContact CE1-CG1 4.43Å; Y963-I967 HydrophobicContact CE2-CD1 4.23Å; Y963-I967 VanDerWaalsContact CZ-CD1 3.47Å; Y963-I967 PolarHBondContact O-N 2.97Å
964A88.2Confident89.4Confident7 Ų734.2 Ų34.26%0.05816%0.156CC..Hα-helixtrans-68-34.5-175.400000112.1I894 I902 F960 L961 I967 A968I894-A964 HydrophobicContact CG2-CB 3.75Å; I902-A964 HydrophobicContact CD1-CB 4.46Å; F960-A964 WeakPolarHBondContact O-CB 3.44Å; F960-A964 PolarHBondContact O-N 3.42Å; L961-A964 PolarHBondContact O-N 2.95Å; A964-I967 PolarHBondContact O-N 3.46Å; A964-A968 PolarHBondContact O-N 3.37Å
965M84.2Confident89.5Confident2 Ų237.7 Ų37.71%0.0118%0.178CC..Hα-helixtrans-66.3-37.9175-69.2-75179.100112.9Y890 I894 L961 Y963 I967 A968 G969 P1012 V1015Y890-M965 HydrophobicContact CE1-CE 3.78Å; Y890-M965 HydrophobicContact CE1-SD 3.4Å; Y890-M965 WeakPolarHBondContact CE1-SD 3.22Å; Y890-M965 PolarHBondContact OH-SD 2.91Å; I894-M965 HydrophobicContact CD1-CE 3.66Å; I894-M965 HydrophobicContact CD1-SD 3.71Å; I894-M965 HydrophobicContact CG1-SD 4.49Å; L961-M965 HydrophobicContact CD1-CE 3.43Å; L961-M965 VanDerWaalsContact CD1-CE 3.43Å; L961-M965 HydrophobicContact CD1-CG 4.15Å; L961-M965 HydrophobicContact CG-CE 4.36Å; L961-M965 HydrophobicContact CG-CG 4.32Å; L961-M965 WeakPolarHBondContact O-CB 3.5Å; L961-M965 WeakPolarHBondContact O-CG 3.25Å; L961-M965 PolarHBondContact O-N 3.22Å; Y963-M965 VanDerWaalsContact C-N 3.32Å; Y963-M965 PolarHBondContact O-N 3.41Å; M965-I967 VanDerWaalsContact C-N 3.33Å; M965-I967 PolarHBondContact O-N 2.96Å; M965-A968 PolarHBondContact O-N 3.14Å; M965-G969 PolarHBondContact O-N 2.98Å; M965-P1012 HydrophobicContact CB-CB 3.92Å; M965-P1012 HydrophobicContact CB-CG 3.67Å; M965-P1012 HydrophobicContact CG-CB 3.88Å; M965-P1012 HydrophobicContact CG-CG 3.99Å; M965-P1012 HydrophobicContact SD-CB 4.38Å; M965-P1012 HydrophobicContact SD-CG 4.2Å; M965-V1015 HydrophobicContact CE-CB 4.01Å; M965-V1015 HydrophobicContact CE-CG1 3.79Å; M965-V1015 HydrophobicContact CE-CG2 4.15Å
966V86.9Confident89.7Confident9 Ų936.3 Ų36.36%0.05517%0.17CC..Hα-helixtrans-66.3-36.1175.4172.80000111.5I442 L445 K446 A449 S962 Y963 Q970I442-V966 HydrophobicContact CD1-CG1 4.04Å; I442-V966 HydrophobicContact CG2-CG1 3.91Å; L445-V966 HydrophobicContact CB-CG1 4.2Å; L445-V966 HydrophobicContact CB-CG2 4.26Å; K446-V966 HydrophobicContact CG-CG1 3.89Å; A449-V966 HydrophobicContact CB-CG2 4.41Å; S962-V966 WeakPolarHBondContact O-CG2 3.34Å; S962-V966 PolarHBondContact O-N 3.32Å; Y963-V966 PolarHBondContact O-N 3.39Å; V966-Q970 PolarHBondContact O-N 3.46Å
967I87.7Confident89.7Confident32 Ų3231.9 Ų31.916%0.16415%0.151CC..Hα-helixtrans-67.2-42.4174.7-68.7172.4000111.1Y963 A964 M965 G969 Q970 R971Y963-I967 HydrophobicContact CD1-CD1 3.87Å; Y963-I967 HydrophobicContact CE1-CD1 3.25Å; Y963-I967 HydrophobicContact CE1-CG1 4.43Å; Y963-I967 HydrophobicContact CE2-CD1 4.23Å; Y963-I967 VanDerWaalsContact CZ-CD1 3.47Å; Y963-I967 PolarHBondContact O-N 2.97Å; A964-I967 PolarHBondContact O-N 3.46Å; M965-I967 VanDerWaalsContact C-N 3.33Å; M965-I967 PolarHBondContact O-N 2.96Å; I967-G969 VanDerWaalsContact C-N 3.33Å; I967-G969 PolarHBondContact O-N 3.11Å; I967-Q970 PolarHBondContact O-N 3.17Å; I967-R971 PolarHBondContact O-N 3.1Å
968A89.8Confident89.9Confident0 Ų034.8 Ų34.80%017%0.165CC..Hα-helixtrans-59.1-46.1176.400000111.2Y890 A893 I894 A964 M965 Q970 R971 M972Y890-A968 HydrophobicContact CE2-CB 4.26Å; A893-A968 HydrophobicContact CB-CB 3.9Å; I894-A968 HydrophobicContact CG1-CB 3.82Å; A964-A968 PolarHBondContact O-N 3.37Å; M965-A968 PolarHBondContact O-N 3.14Å; A968-Q970 VanDerWaalsContact C-N 3.33Å; A968-Q970 PolarHBondContact O-N 3.36Å; A968-R971 PolarHBondContact O-N 2.92Å; A968-M972 WeakPolarHBondContact O-CB 3.42Å; A968-M972 VanDerWaalsContact O-CG 3.3Å; A968-M972 WeakPolarHBondContact O-CG 3.46Å; A968-M972 PolarHBondContact O-N 3.27Å
969G90.8Very high90.1Very high1 Ų134.8 Ų34.81%0.0117%0.165CC..Hα-helixtrans-63.2-32.5175.800000114.4R438 M965 I967 H973 D1008R438-G969 PolarHBondContact NH2-O 3.09Å; M965-G969 PolarHBondContact O-N 2.98Å; I967-G969 VanDerWaalsContact C-N 3.33Å; I967-G969 PolarHBondContact O-N 3.11Å; G969-H973 WeakPolarHBondContact O-CB 3.35Å; G969-H973 PolarHBondContact O-N 2.9Å; G969-D1008 WeakPolarHBondContact CA-OD1 3.42Å
970Q91.7Very high90.4Very high39 Ų3932.9 Ų32.918%0.18216%0.155CC..Hα-helixtrans-65.1-55172.3179.6175.2-3.400111.7I442 V966 I967 A968 M972 H973 E974I442-Q970 HydrophobicContact CD1-CB 3.84Å; I442-Q970 HydrophobicContact CD1-CG 4.47Å; I442-Q970 HydrophobicContact CG1-CB 4.24Å; I442-Q970 HydrophobicContact CG1-CG 4.35Å; V966-Q970 PolarHBondContact O-N 3.46Å; I967-Q970 PolarHBondContact O-N 3.17Å; A968-Q970 VanDerWaalsContact C-N 3.33Å; A968-Q970 PolarHBondContact O-N 3.36Å; Q970-M972 VanDerWaalsContact C-N 3.33Å; Q970-M972 PolarHBondContact O-N 3.33Å; Q970-H973 PolarHBondContact O-N 3.02Å; Q970-E974 WeakPolarHBondContact CG-OE1 3.45Å; Q970-E974 PolarHBondContact NE2-OE1 2.74Å; Q970-E974 WeakPolarHBondContact O-CG 3.28Å; Q970-E974 PolarHBondContact O-N 3.23Å
971R91Very high90.4Very high127 Ų12728.7 Ų28.748%0.47914%0.137SC..Hα-helixtrans-60.5-41.2-176.9-72176.4174.1165.8-5.3112.7A893 I967 A968 T975A893-R971 PolarHBondContact O-NH1 2.67Å; I967-R971 PolarHBondContact O-N 3.1Å; A968-R971 PolarHBondContact O-N 2.92Å; R971-T975 PolarHBondContact O-N 3.28Å; R971-T975 VanDerWaalsContact O-N 3.12Å; R971-T975 PolarHBondContact O-OG1 2.79Å
972M91.3Very high90.6Very high23 Ų2332.4 Ų32.411%0.11315%0.15CC..Hα-helixtrans-65.5-41177.9-71.8-175.374.400111.7Y890 A968 Q970 L976 V1007 V1186 V1189Y890-M972 HydrophobicContact CD2-SD 4.08Å; Y890-M972 HydrophobicContact CE2-SD 4.27Å; A968-M972 WeakPolarHBondContact O-CB 3.42Å; A968-M972 VanDerWaalsContact O-CG 3.3Å; A968-M972 WeakPolarHBondContact O-CG 3.46Å; A968-M972 PolarHBondContact O-N 3.27Å; Q970-M972 VanDerWaalsContact C-N 3.33Å; Q970-M972 PolarHBondContact O-N 3.33Å; M972-L976 VanDerWaalsContact O-CB 3.26Å; M972-L976 WeakPolarHBondContact O-CB 3.48Å; M972-L976 PolarHBondContact O-N 3.1Å; M972-V1007 HydrophobicContact SD-CG1 4.06Å; M972-V1186 HydrophobicContact CE-CB 4.22Å; M972-V1186 HydrophobicContact CE-CG1 3.73Å; M972-V1186 HydrophobicContact CE-CG2 4.22Å; M972-V1189 HydrophobicContact CB-CG1 4.35Å; M972-V1189 HydrophobicContact CE-CB 4.1Å; M972-V1189 HydrophobicContact CE-CG1 3.76Å
973H94.4Very high91Very high3 Ų331.3 Ų31.31%0.01414%0.142CC..Hα-helixtrans-66.5-43.1177.4176.7-85.8000112.6R407 G969 Q970 L976 I977 V1004R407-H973 PolarHBondContact NH1-CD2 2.95Å; R407-H973 PolarHBondContact NH1-NE2 2.93Å; G969-H973 WeakPolarHBondContact O-CB 3.35Å; G969-H973 PolarHBondContact O-N 2.9Å; Q970-H973 PolarHBondContact O-N 3.02Å; H973-L976 PolarHBondContact O-N 2.95Å; H973-I977 WeakPolarHBondContact O-CG1 3.45Å; H973-I977 PolarHBondContact O-N 3.35Å; H973-V1004 HydrophobicContact CB-CG1 4.43Å
974E92.8Very high91.3Very high70 Ų7028 Ų2833%0.32713%0.133SC..Hα-helixtrans-59-48176.8-74.2166.4-172.400111.1Q970 L976 H978Q970-E974 WeakPolarHBondContact CG-OE1 3.45Å; Q970-E974 PolarHBondContact NE2-OE1 2.74Å; Q970-E974 WeakPolarHBondContact O-CG 3.28Å; Q970-E974 PolarHBondContact O-N 3.23Å; E974-L976 VanDerWaalsContact C-N 3.33Å; E974-L976 PolarHBondContact O-N 3.05Å; E974-H978 VanDerWaalsContact O-CB 3.26Å; E974-H978 WeakPolarHBondContact O-CB 3.45Å; E974-H978 PolarHBondContact O-N 3.09Å
975T92.5Very high91.3Very high77 Ų7728.3 Ų28.347%0.47213%0.134SC..Hα-helixtrans-62.6-41178.1-49.60000111.8R971 N979R971-T975 PolarHBondContact O-N 3.28Å; R971-T975 VanDerWaalsContact O-N 3.12Å; R971-T975 PolarHBondContact O-OG1 2.79Å; T975-N979 WeakPolarHBondContact O-CB 3.48Å; T975-N979 PolarHBondContact O-N 3.33Å; T975-N979 VanDerWaalsContact O-N 3.1Å
976L94.3Very high91.3Very high0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-63-52.1179.3177.766.2000112.1M972 H973 E974 N979 I980 I1000 V1004 V1189 Y1192M972-L976 VanDerWaalsContact O-CB 3.26Å; M972-L976 WeakPolarHBondContact O-CB 3.48Å; M972-L976 PolarHBondContact O-N 3.1Å; H973-L976 PolarHBondContact O-N 2.95Å; E974-L976 VanDerWaalsContact C-N 3.33Å; E974-L976 PolarHBondContact O-N 3.05Å; L976-N979 PolarHBondContact O-N 3.29Å; L976-I980 HydrophobicContact CD1-CD1 3.61Å; L976-I980 HydrophobicContact CD1-CG1 4.25Å; L976-I980 HydrophobicContact CG-CD1 3.79Å; L976-I980 WeakPolarHBondContact O-CG1 3.31Å; L976-I980 PolarHBondContact O-N 3.43Å; L976-I1000 HydrophobicContact CD2-CB 4.48Å; L976-I1000 HydrophobicContact CD2-CG1 3.84Å; L976-I1000 HydrophobicContact CG-CG1 4.35Å; L976-V1004 HydrophobicContact CD2-CG2 3.94Å; L976-V1189 HydrophobicContact CB-CG1 4.39Å; L976-V1189 HydrophobicContact CD2-CG1 4.16Å; L976-Y1192 VanDerWaalsContact CD1-CB 3.41Å
977I93.7Very high91.2Very high8 Ų830.5 Ų30.54%0.04115%0.148CC..Hα-helixtrans-61.9-47.5-179.7-67.3-61.7000110.1E431 I434 H973 N979 I980 M981 I1000E431-I977 HydrophobicContact CG-CG2 4.14Å; I434-I977 HydrophobicContact CD1-CD1 4.48Å; I434-I977 HydrophobicContact CD1-CG2 4.06Å; I434-I977 HydrophobicContact CG2-CG1 4.26Å; H973-I977 WeakPolarHBondContact O-CG1 3.45Å; H973-I977 PolarHBondContact O-N 3.35Å; I977-N979 PolarHBondContact O-N 2.75Å; I977-I980 PolarHBondContact O-N 2.93Å; I977-M981 HydrophobicContact CG2-CG 4.07Å; I977-M981 VanDerWaalsContact O-CG 3.25Å; I977-M981 WeakPolarHBondContact O-CG 3.22Å; I977-M981 PolarHBondContact O-N 3.34Å; I977-I1000 HydrophobicContact CD1-CD1 3.76Å; I977-I1000 HydrophobicContact CD1-CG1 4.04Å; I977-I1000 HydrophobicContact CD1-CG2 3.81Å
978H93.7Very high91.2Very high61 Ų6129.9 Ų29.928%0.28214%0.144SC..Hα-helixtrans-55-42.4179.7-173.671.2000112.4E431 E974 R982E431-H978 WeakPolarHBondContact OE1-CA 3.42Å; E431-H978 WeakPolarHBondContact OE1-CB 3.09Å; E431-H978 IonicContact OE1-CG 2.78Å; E431-H978 IonicContact OE1-ND1 2.79Å; E431-H978 PolarHBondContact OE1-ND1 3.42Å; E431-H978 IonicContact OE2-ND1 3.99Å; E974-H978 VanDerWaalsContact O-CB 3.26Å; E974-H978 WeakPolarHBondContact O-CB 3.45Å; E974-H978 PolarHBondContact O-N 3.09Å; H978-R982 VanDerWaalsContact CE1-CZ 3.45Å; H978-R982 PolarHBondContact CE1-NE 3.41Å
979N93.6Very high90.6Very high3 Ų333.9 Ų33.92%0.01617%0.165CC..Hα-helixtrans-74.5-39.8-179.2-165.962.4000113T975 L976 I977 R982 S983 Y1192 S1193 T1195 K1197T975-N979 WeakPolarHBondContact O-CB 3.48Å; T975-N979 PolarHBondContact O-N 3.33Å; T975-N979 VanDerWaalsContact O-N 3.1Å; L976-N979 PolarHBondContact O-N 3.29Å; I977-N979 PolarHBondContact O-N 2.75Å; N979-R982 CarbonylContact O-C 3.36Å; N979-R982 PolarHBondContact O-N 3.15Å; N979-S983 PolarHBondContact O-N 2.9Å; N979-S983 VanDerWaalsContact O-N 3.1Å; N979-S983 PolarHBondContact O-OG 2.87Å; N979-Y1192 PolarHBondContact ND2-O 2.94Å; N979-S1193 VanDerWaalsContact ND2-C 3.32Å; N979-T1195 PolarHBondContact ND2-N 2.79Å; N979-T1195 PolarHBondContact ND2-OG1 2.87Å; N979-K1197 WeakPolarHBondContact OD1-CE 3.45Å
980I93.3Very high89.8Confident4 Ų434.5 Ų34.52%0.02117%0.169CC..Hα-helixtrans-62.4-49.8177-71.6170.6000110L415 L976 I977 R982 S983 Y988 I996 I1000L415-I980 HydrophobicContact CD2-CG2 4.27Å; L976-I980 HydrophobicContact CD1-CD1 3.61Å; L976-I980 HydrophobicContact CD1-CG1 4.25Å; L976-I980 HydrophobicContact CG-CD1 3.79Å; L976-I980 WeakPolarHBondContact O-CG1 3.31Å; L976-I980 PolarHBondContact O-N 3.43Å; I977-I980 PolarHBondContact O-N 2.93Å; I980-R982 PolarHBondContact O-N 2.96Å; I980-S983 WeakPolarHBondContact O-CB 3.45Å; I980-S983 PolarHBondContact O-N 3.26Å; I980-Y988 VanDerWaalsContact C-OH 3.32Å; I980-Y988 HydrophobicContact CG2-CE1 4.34Å; I980-Y988 VanDerWaalsContact CG2-OH 3.31Å; I980-Y988 WeakPolarHBondContact CG2-OH 3.46Å; I980-Y988 PolarHBondContact O-OH 3.12Å; I980-I996 HydrophobicContact CD1-CG2 3.85Å; I980-I996 HydrophobicContact CG2-CG2 4.15Å; I980-I1000 HydrophobicContact CD1-CD1 3.69Å; I980-I1000 HydrophobicContact CD1-CG1 3.85Å
981M91.5Very high89.2Confident5 Ų533 Ų333%0.02516%0.162CC..Hα-helixtrans-54.6-23.8179.2-65.6-59.5-67.500113.2I414 M418 E427 F430 I977I414-M981 HydrophobicContact CG2-CE 4.07Å; I414-M981 HydrophobicContact CG2-SD 3.67Å; M418-M981 HydrophobicContact CE-SD 3.99Å; E427-M981 HydrophobicContact CB-CE 3.75Å; E427-M981 HydrophobicContact CG-CE 4.18Å; E427-M981 WeakPolarHBondContact O-CE 3.28Å; F430-M981 HydrophobicContact CB-CE 4.47Å; I977-M981 HydrophobicContact CG2-CG 4.07Å; I977-M981 VanDerWaalsContact O-CG 3.25Å; I977-M981 WeakPolarHBondContact O-CG 3.22Å; I977-M981 PolarHBondContact O-N 3.34Å
982R91.9Very high88.7Confident87 Ų8729.5 Ų29.533%0.32816%0.156SC..THydrogen-bonded Turntrans-109.38.8-179.4-62.2-176.7177.7-155.1-0.8114.7H978 N979 I980 K1197 E1198H978-R982 VanDerWaalsContact CE1-CZ 3.45Å; H978-R982 PolarHBondContact CE1-NE 3.41Å; N979-R982 CarbonylContact O-C 3.36Å; N979-R982 PolarHBondContact O-N 3.15Å; I980-R982 PolarHBondContact O-N 2.96Å; R982-K1197 CarbonylContact O-C 3.53Å; R982-K1197 WeakPolarHBondContact O-CA 3.31Å; R982-E1198 PolarHBondContact O-N 3.47Å
983S92.7Very high88.2Confident0 Ų030.8 Ų30.80%016%0.163CC..SBendtrans-76.8146.1174.6-63.80000110.5K422 N979 I980 Y988 T1195K422-S983 PolarHBondContact NZ-O 3.4Å; N979-S983 PolarHBondContact O-N 2.9Å; N979-S983 VanDerWaalsContact O-N 3.1Å; N979-S983 PolarHBondContact O-OG 2.87Å; I980-S983 WeakPolarHBondContact O-CB 3.45Å; I980-S983 PolarHBondContact O-N 3.26Å; S983-Y988 WeakPolarHBondContact O-CE2 3.49Å; S983-T1195 PolarHBondContact OG-OG1 3.42Å
984P91.2Very high87.6Confident30 Ų3032.4 Ų32.420%0.19518%0.18CC..  trans-66.4160.2-178.427.5-35.4000113.7A986 F987 Y988 Q1196 E1198P984-A986 PolarHBondContact O-N 3Å; P984-F987 HydrophobicContact CG-CB 4.43Å; P984-F987 WeakPolarHBondContact O-CB 3.27Å; P984-F987 PolarHBondContact O-N 3.17Å; P984-Y988 VanDerWaalsContact O-CD2 3.3Å; P984-Y988 WeakPolarHBondContact O-CD2 3.3Å; P984-Q1196 WeakPolarHBondContact CD-O 3.43Å; P984-E1198 WeakPolarHBondContact CA-OE1 3.22Å; P984-E1198 HydrophobicContact CB-CG 4.08Å
985M88.4Confident87.1Confident14 Ų1431.1 Ų31.17%0.06917%0.172CC..Hα-helixtrans-56.8-35.7175.6-84.2-66.3103.400113.1M418 K419 K422 F987 Y988 D989 I1267M418-M985 HydrophobicContact CB-CE 4Å; M418-M985 HydrophobicContact CG-CE 3.38Å; K419-M985 HydrophobicContact CB-SD 4.05Å; K422-M985 HydrophobicContact CD-CE 3.72Å; K422-M985 VanDerWaalsContact CE-CE 3.47Å; K422-M985 VanDerWaalsContact NZ-CE 3.28Å; M985-F987 PolarHBondContact O-N 3.42Å; M985-F987 VanDerWaalsContact O-N 3.08Å; M985-Y988 HydrophobicContact CE-CD2 3.49Å; M985-Y988 VanDerWaalsContact CE-CD2 3.49Å; M985-Y988 HydrophobicContact CE-CE2 3.9Å; M985-Y988 HydrophobicContact CE-CG 4.14Å; M985-Y988 WeakPolarHBondContact O-CA 3.41Å; M985-Y988 WeakPolarHBondContact O-CB 3.29Å; M985-Y988 PolarHBondContact O-N 3.17Å; M985-D989 VanDerWaalsContact O-CG 3.31Å; M985-D989 PolarHBondContact O-N 2.89Å; M985-I1267 HydrophobicContact CB-CG2 4.03Å; M985-I1267 HydrophobicContact CG-CG2 3.35Å
986A83.7Confident87Confident30 Ų3027.4 Ų27.425%0.24815%0.15CC..Hα-helixtrans-50.7-35.4173.700000113.6P984 V990 R1227P984-A986 PolarHBondContact O-N 3Å; A986-V990 WeakPolarHBondContact O-CG2 3.42Å; A986-V990 PolarHBondContact O-N 3.44Å; A986-R1227 HydrophobicContact CB-CG 3.78Å
987F86.4Confident86.8Confident27 Ų2728.9 Ų28.912%0.11816%0.158CC..Hα-helixtrans-66.7-40.4176.2167.9-101.8000112P984 M985 V990 T991 I996 Y1192 T1195P984-F987 HydrophobicContact CG-CB 4.43Å; P984-F987 WeakPolarHBondContact O-CB 3.27Å; P984-F987 PolarHBondContact O-N 3.17Å; M985-F987 PolarHBondContact O-N 3.42Å; M985-F987 VanDerWaalsContact O-N 3.08Å; F987-V990 WeakPolarHBondContact O-CG2 3.46Å; F987-T991 HydrophobicContact CE2-CG2 4.38Å; F987-T991 HydrophobicContact CZ-CG2 4.3Å; F987-T991 WeakPolarHBondContact O-CB 3.4Å; F987-T991 PolarHBondContact O-N 3.16Å; F987-T991 PolarHBondContact O-OG1 2.94Å; F987-I996 HydrophobicContact CD1-CD1 4.44Å; F987-I996 HydrophobicContact CE1-CD1 3.69Å; F987-I996 HydrophobicContact CE1-CG1 4.23Å; F987-I996 HydrophobicContact CZ-CD1 4.26Å; F987-I996 HydrophobicContact CZ-CG1 4.33Å; F987-Y1192 HydrophobicContact CE2-CD1 4.39Å; F987-Y1192 HydrophobicContact CE2-CE1 4.08Å; F987-Y1192 AromaticContact CZ-CD1 3.71Å; F987-Y1192 HydrophobicContact CZ-CD1 3.71Å; F987-Y1192 AromaticContact CZ-CE1 3.55Å; F987-Y1192 HydrophobicContact CZ-CE1 3.55Å; F987-T1195 HydrophobicContact CD2-CG2 4.29Å; F987-T1195 HydrophobicContact CE2-CG2 3.84Å; F987-T1195 HydrophobicContact CZ-CG2 4.3Å
988Y85.7Confident86.5Confident19 Ų1932.5 Ų32.58%0.07518%0.177CC..Hα-helixtrans-74-29.8179-63.9-81.5000112.7L415 M418 I980 S983 P984 M985 T991 L993 I996L415-Y988 HydrophobicContact CD2-CD1 4.41Å; L415-Y988 HydrophobicContact CD2-CE1 3.71Å; M418-Y988 HydrophobicContact CE-CE1 4.11Å; M418-Y988 WeakPolarHBondContact CE-OH 3.39Å; M418-Y988 HydrophobicContact CG-CD2 4.3Å; M418-Y988 HydrophobicContact CG-CE1 4.09Å; M418-Y988 HydrophobicContact CG-CE2 3.86Å; I980-Y988 VanDerWaalsContact C-OH 3.32Å; I980-Y988 HydrophobicContact CG2-CE1 4.34Å; I980-Y988 VanDerWaalsContact CG2-OH 3.31Å; I980-Y988 WeakPolarHBondContact CG2-OH 3.46Å; I980-Y988 PolarHBondContact O-OH 3.12Å; S983-Y988 WeakPolarHBondContact O-CE2 3.49Å; P984-Y988 VanDerWaalsContact O-CD2 3.3Å; P984-Y988 WeakPolarHBondContact O-CD2 3.3Å; M985-Y988 HydrophobicContact CE-CD2 3.49Å; M985-Y988 VanDerWaalsContact CE-CD2 3.49Å; M985-Y988 HydrophobicContact CE-CE2 3.9Å; M985-Y988 HydrophobicContact CE-CG 4.14Å; M985-Y988 WeakPolarHBondContact O-CA 3.41Å; M985-Y988 WeakPolarHBondContact O-CB 3.29Å; M985-Y988 PolarHBondContact O-N 3.17Å; Y988-T991 VanDerWaalsContact O-O 3.09Å; Y988-L993 HydrophobicContact CD1-CD2 4.1Å; Y988-I996 HydrophobicContact CD1-CD1 3.62Å; Y988-I996 HydrophobicContact CE1-CD1 3.77Å
989D77.6Confident86.4Confident84 Ų8430 Ų3045%0.44917%0.165SC..Hα-helixtrans-70.8-33.2178.2-62.2-25.9000112.1M985M985-D989 VanDerWaalsContact O-CG 3.31Å; M985-D989 PolarHBondContact O-N 2.89Å
990V74.6Confident86.4Confident14 Ų1430 Ų309%0.08517%0.165CC..Hα-helixtrans-94.8-22.6178.9-58.90000114.1A986 F987 P992 R1227A986-V990 WeakPolarHBondContact O-CG2 3.42Å; A986-V990 PolarHBondContact O-N 3.44Å; F987-V990 WeakPolarHBondContact O-CG2 3.46Å; V990-P992 WeakPolarHBondContact O-CD 3.44Å; V990-R1227 VanDerWaalsContact CG1-CD 3.45Å
991T78.8Confident86.3Confident6 Ų630.2 Ų30.24%0.03717%0.168CC..SBendtrans-103.5111.7-176.2-52.90000108.8F987 Y988 L993 R995 I996 Y1192F987-T991 HydrophobicContact CE2-CG2 4.38Å; F987-T991 HydrophobicContact CZ-CG2 4.3Å; F987-T991 WeakPolarHBondContact O-CB 3.4Å; F987-T991 PolarHBondContact O-N 3.16Å; F987-T991 PolarHBondContact O-OG1 2.94Å; Y988-T991 VanDerWaalsContact O-O 3.09Å; T991-L993 PolarHBondContact O-N 3.31Å; T991-R995 HydrophobicContact CG2-CB 4.21Å; T991-R995 HydrophobicContact CG2-CG 4.5Å; T991-I996 HydrophobicContact CG2-CD1 4.21Å; T991-I996 HydrophobicContact CG2-CG1 3.72Å; T991-Y1192 HydrophobicContact CG2-CE1 4.08Å; T991-Y1192 VanDerWaalsContact CG2-OH 3.32Å; T991-Y1192 WeakPolarHBondContact CG2-OH 3.48Å
992P79.7Confident86.3Confident55 Ų5536.4 Ų36.436%0.35720%0.195SC..  trans-53.9132.1177-25.234.1000110.6V872 V990 G994 R995 I996V872-P992 HydrophobicContact CG1-CG 3.82Å; V990-P992 WeakPolarHBondContact O-CD 3.44Å; P992-G994 PolarHBondContact O-N 3.16Å; P992-G994 VanDerWaalsContact O-N 3.09Å; P992-R995 WeakPolarHBondContact O-CA 3.21Å; P992-R995 VanDerWaalsContact O-CB 3.23Å; P992-R995 WeakPolarHBondContact O-CB 3.44Å; P992-R995 PolarHBondContact O-N 3.4Å; P992-I996 PolarHBondContact O-N 3.44Å
993L82.7Confident86.3Confident50 Ų5032.5 Ų32.526%0.26218%0.181SC..Hα-helixtrans-54.7-35.2-179.4-61.9-177.4000112L415 N416 Y988 T991 R995 I996 L997L415-L993 HydrophobicContact CB-CD2 4.24Å; N416-L993 WeakPolarHBondContact OD1-CD1 3.45Å; Y988-L993 HydrophobicContact CD1-CD2 4.1Å; T991-L993 PolarHBondContact O-N 3.31Å; L993-R995 PolarHBondContact O-N 3.26Å; L993-I996 HydrophobicContact CD2-CD1 4.26Å; L993-I996 PolarHBondContact O-N 3.1Å; L993-L997 WeakPolarHBondContact O-CB 3.46Å; L993-L997 WeakPolarHBondContact O-CG 3.16Å; L993-L997 PolarHBondContact O-N 3.3Å
994G81.2Confident86.3Confident37 Ų3732.7 Ų32.738%0.38118%0.182SC..Hα-helixtrans-58.8-29.9173.300000114.4P992 N998P992-G994 PolarHBondContact O-N 3.16Å; P992-G994 VanDerWaalsContact O-N 3.09Å; G994-N998 WeakPolarHBondContact O-CB 3.03Å; G994-N998 VanDerWaalsContact O-CG 3.3Å; G994-N998 PolarHBondContact O-N 3.38Å; G994-N998 PolarHBondContact O-ND2 3.47Å
995R82.5Confident86.4Confident42 Ų4233.2 Ų33.216%0.15818%0.183CC..Hα-helixtrans-71.2-46.4175-167.5-176.5-68.4160.2-2.2110.5E873 T991 P992 L993 L997 N998 R999 Y1192E873-R995 PolarHBondContact O-NH1 3Å; E873-R995 PolarHBondContact O-NH2 3.49Å; T991-R995 HydrophobicContact CG2-CB 4.21Å; T991-R995 HydrophobicContact CG2-CG 4.5Å; P992-R995 WeakPolarHBondContact O-CA 3.21Å; P992-R995 VanDerWaalsContact O-CB 3.23Å; P992-R995 WeakPolarHBondContact O-CB 3.44Å; P992-R995 PolarHBondContact O-N 3.4Å; L993-R995 PolarHBondContact O-N 3.26Å; R995-L997 VanDerWaalsContact C-N 3.35Å; R995-L997 PolarHBondContact O-N 3.06Å; R995-N998 WeakPolarHBondContact O-CB 3.46Å; R995-N998 PolarHBondContact O-N 2.87Å; R995-N998 VanDerWaalsContact O-N 3.16Å; R995-R999 WeakPolarHBondContact O-CG 3.36Å; R995-R999 PolarHBondContact O-N 2.97Å; R995-Y1192 WeakPolarHBondContact CD-OH 3.4Å
996I90.2Very high86.5Confident0 Ų033.5 Ų33.50%019%0.185CC..Hα-helixtrans-60.5-46176.3-53.8175.1000110.2L415 I980 F987 Y988 T991 P992 L993 N998 R999 I1000 Y1192L415-I996 HydrophobicContact CD1-CB 4.08Å; L415-I996 HydrophobicContact CD1-CG2 3.84Å; L415-I996 HydrophobicContact CD2-CD1 4.33Å; L415-I996 HydrophobicContact CD2-CG2 3.87Å; I980-I996 HydrophobicContact CD1-CG2 3.85Å; I980-I996 HydrophobicContact CG2-CG2 4.15Å; F987-I996 HydrophobicContact CD1-CD1 4.44Å; F987-I996 HydrophobicContact CE1-CD1 3.69Å; F987-I996 HydrophobicContact CE1-CG1 4.23Å; F987-I996 HydrophobicContact CZ-CD1 4.26Å; F987-I996 HydrophobicContact CZ-CG1 4.33Å; Y988-I996 HydrophobicContact CD1-CD1 3.62Å; Y988-I996 HydrophobicContact CE1-CD1 3.77Å; T991-I996 HydrophobicContact CG2-CD1 4.21Å; T991-I996 HydrophobicContact CG2-CG1 3.72Å; P992-I996 PolarHBondContact O-N 3.44Å; L993-I996 HydrophobicContact CD2-CD1 4.26Å; L993-I996 PolarHBondContact O-N 3.1Å; I996-N998 VanDerWaalsContact C-N 3.32Å; I996-N998 PolarHBondContact O-N 2.89Å; I996-R999 WeakPolarHBondContact O-CB 3.4Å; I996-R999 PolarHBondContact O-N 3.48Å; I996-R999 VanDerWaalsContact O-N 3.07Å; I996-I1000 HydrophobicContact CG2-CD1 3.96Å; I996-I1000 PolarHBondContact O-N 3.23Å; I996-Y1192 HydrophobicContact CG1-CE1 4.12Å
997L89.1Confident86.8Confident31 Ų3132.1 Ų32.116%0.16217%0.174CC..Hα-helixtrans-58.8-41.2174.3-75.7168.8000112.5M408 V411 N412 L415 L993 R995 R999 I1000 G1001M408-L997 HydrophobicContact SD-CD2 3.88Å; V411-L997 HydrophobicContact CG1-CD2 3.95Å; N412-L997 HydrophobicContact CB-CD1 4.46Å; N412-L997 HydrophobicContact CB-CD2 4.03Å; N412-L997 VanDerWaalsContact OD1-CD1 3.31Å; N412-L997 WeakPolarHBondContact OD1-CD1 3.48Å; L415-L997 HydrophobicContact CD1-CD2 3.68Å; L415-L997 HydrophobicContact CD1-CG 3.66Å; L993-L997 WeakPolarHBondContact O-CB 3.46Å; L993-L997 WeakPolarHBondContact O-CG 3.16Å; L993-L997 PolarHBondContact O-N 3.3Å; R995-L997 VanDerWaalsContact C-N 3.35Å; R995-L997 PolarHBondContact O-N 3.06Å; L997-R999 VanDerWaalsContact C-N 3.32Å; L997-R999 PolarHBondContact O-N 2.85Å; L997-I1000 PolarHBondContact O-N 3.4Å; L997-G1001 WeakPolarHBondContact O-CA 3.43Å; L997-G1001 PolarHBondContact O-N 3.09Å
998N87.7Confident87Confident84 Ų8431.3 Ų31.345%0.44917%0.171SC..Hα-helixtrans-63.8-36.1174.7-82.9-45.5000112.3G994 R995 I996 K1002 D1003G994-N998 WeakPolarHBondContact O-CB 3.03Å; G994-N998 VanDerWaalsContact O-CG 3.3Å; G994-N998 PolarHBondContact O-N 3.38Å; G994-N998 PolarHBondContact O-ND2 3.47Å; R995-N998 WeakPolarHBondContact O-CB 3.46Å; R995-N998 PolarHBondContact O-N 2.87Å; R995-N998 VanDerWaalsContact O-N 3.16Å; I996-N998 VanDerWaalsContact C-N 3.32Å; I996-N998 PolarHBondContact O-N 2.89Å; N998-K1002 WeakPolarHBondContact O-CA 3.47Å; N998-K1002 WeakPolarHBondContact O-CB 3.34Å; N998-K1002 PolarHBondContact O-N 3.19Å; N998-D1003 PolarHBondContact O-N 2.91Å
999R91.5Very high87.1Confident9 Ų931.4 Ų31.43%0.03417%0.173CC..Iπ-helixtrans-64.4-51.5175.2-58.9-41.2-178.1-146.8-2.4111.4E875 R995 I996 L997 G1001 D1003 V1004 R1188 Y1192E875-R999 IonicContact OE1-CZ 3.52Å; E875-R999 IonicContact OE1-NH2 3.74Å; E875-R999 PolarHBondContact OE1-NH2 2.92Å; R995-R999 WeakPolarHBondContact O-CG 3.36Å; R995-R999 PolarHBondContact O-N 2.97Å; I996-R999 WeakPolarHBondContact O-CB 3.4Å; I996-R999 PolarHBondContact O-N 3.48Å; I996-R999 VanDerWaalsContact O-N 3.07Å; L997-R999 VanDerWaalsContact C-N 3.32Å; L997-R999 PolarHBondContact O-N 2.85Å; R999-G1001 VanDerWaalsContact C-N 3.34Å; R999-G1001 PolarHBondContact O-N 2.98Å; R999-D1003 WeakPolarHBondContact CD-OD2 3.36Å; R999-D1003 IonicContact CZ-OD2 3.57Å; R999-D1003 IonicContact NE-OD2 3.21Å; R999-D1003 IonicContact NH1-OD2 3.8Å; R999-D1003 PolarHBondContact NH1-OD2 3.12Å; R999-V1004 WeakPolarHBondContact O-CG2 3.47Å; R999-V1004 PolarHBondContact O-N 3.49Å; R999-R1188 VanDerWaalsContact NH1-CD 3.3Å; R999-Y1192 HydrophobicContact CB-CD1 4.48Å; R999-Y1192 HydrophobicContact CG-CD1 3.89Å; R999-Y1192 HydrophobicContact CG-CD2 4.03Å; R999-Y1192 HydrophobicContact CG-CE1 3.93Å; R999-Y1192 HydrophobicContact CG-CE2 4.15Å; R999-Y1192 HydrophobicContact CG-CG 3.95Å
1000I93.8Very high87.7Confident2 Ų228.8 Ų28.81%0.0116%0.163CC..Iπ-helixtrans-71.8-29.3-177.8-60.5167.3000112.1R407 M408 V411 L976 I977 I980 I996 L997 V1004R407-I1000 PolarHBondContact NH2-O 3.31Å; M408-I1000 HydrophobicContact CE-CG2 4.38Å; V411-I1000 HydrophobicContact CG1-CB 4.46Å; V411-I1000 HydrophobicContact CG1-CD1 3.59Å; V411-I1000 HydrophobicContact CG1-CG2 4.14Å; V411-I1000 HydrophobicContact CG2-CG2 4.21Å; L976-I1000 HydrophobicContact CD2-CB 4.48Å; L976-I1000 HydrophobicContact CD2-CG1 3.84Å; L976-I1000 HydrophobicContact CG-CG1 4.35Å; I977-I1000 HydrophobicContact CD1-CD1 3.76Å; I977-I1000 HydrophobicContact CD1-CG1 4.04Å; I977-I1000 HydrophobicContact CD1-CG2 3.81Å; I980-I1000 HydrophobicContact CD1-CD1 3.69Å; I980-I1000 HydrophobicContact CD1-CG1 3.85Å; I996-I1000 HydrophobicContact CG2-CD1 3.96Å; I996-I1000 PolarHBondContact O-N 3.23Å; L997-I1000 PolarHBondContact O-N 3.4Å; I1000-V1004 WeakPolarHBondContact O-CB 3.31Å
1001G91.9Very high88.4Confident9 Ų928.1 Ų28.19%0.09316%0.159CC..Iπ-helixtrans-92.9-74.2-177.700000113.3L997 R999 D1005L997-G1001 WeakPolarHBondContact O-CA 3.43Å; L997-G1001 PolarHBondContact O-N 3.09Å; R999-G1001 VanDerWaalsContact C-N 3.34Å; R999-G1001 PolarHBondContact O-N 2.98Å; G1001-D1005 VanDerWaalsContact O-CB 3.24Å; G1001-D1005 WeakPolarHBondContact O-CB 3.35Å; G1001-D1005 PolarHBondContact O-N 3.1Å; G1001-D1005 VanDerWaalsContact O-N 3.09Å
1002K90.6Very high88.8Confident135 Ų13528.7 Ų28.759%0.58716%0.163SC*.Iπ-helixtrans-74.6-47.6-171-176.4-179.7176.8-1780112.4N998 D1005 V1006N998-K1002 WeakPolarHBondContact O-CA 3.47Å; N998-K1002 WeakPolarHBondContact O-CB 3.34Å; N998-K1002 PolarHBondContact O-N 3.19Å; K1002-D1005 WeakPolarHBondContact O-CB 3.39Å; K1002-D1005 PolarHBondContact O-N 2.82Å; K1002-V1006 WeakPolarHBondContact O-CG2 3.48Å; K1002-V1006 PolarHBondContact O-N 2.76Å
1003D92.6Very high89.2Confident5 Ų529.5 Ų29.53%0.02716%0.163CC..Iπ-helixtrans-69.8-40.1-176.3-65.7-33.3000111N998 R999 D1005 V1006 V1007 V1189N998-D1003 PolarHBondContact O-N 2.91Å; R999-D1003 WeakPolarHBondContact CD-OD2 3.36Å; R999-D1003 IonicContact CZ-OD2 3.57Å; R999-D1003 IonicContact NE-OD2 3.21Å; R999-D1003 IonicContact NH1-OD2 3.8Å; R999-D1003 PolarHBondContact NH1-OD2 3.12Å; D1003-D1005 VanDerWaalsContact C-N 3.32Å; D1003-D1005 PolarHBondContact O-N 3.01Å; D1003-V1006 WeakPolarHBondContact O-CB 3.03Å; D1003-V1006 PolarHBondContact O-N 3.23Å; D1003-V1007 WeakPolarHBondContact O-CG2 3.44Å; D1003-V1007 PolarHBondContact O-N 2.89Å; D1003-V1189 HydrophobicContact CB-CG2 3.87Å
1004V92.7Very high89.4Confident3 Ų327.2 Ų27.22%0.01815%0.151CC..Hα-helixtrans-61.3-37.7169.2171.80000112H973 L976 R999 I1000 V1006 V1007 D1008 V1189H973-V1004 HydrophobicContact CB-CG1 4.43Å; L976-V1004 HydrophobicContact CD2-CG2 3.94Å; R999-V1004 WeakPolarHBondContact O-CG2 3.47Å; R999-V1004 PolarHBondContact O-N 3.49Å; I1000-V1004 WeakPolarHBondContact O-CB 3.31Å; V1004-V1006 VanDerWaalsContact C-N 3.32Å; V1004-V1006 PolarHBondContact O-N 2.88Å; V1004-V1007 CarbonylContact O-C 3.6Å; V1004-V1007 WeakPolarHBondContact O-CB 3.48Å; V1004-V1007 PolarHBondContact O-N 2.76Å; V1004-D1008 WeakPolarHBondContact O-CB 3.4Å; V1004-D1008 PolarHBondContact O-N 3.16Å; V1004-V1189 HydrophobicContact CG2-CG2 4.26Å
1005D92Very high89.8Confident41 Ų4126.3 Ų26.322%0.21914%0.138CC..Hα-helixtrans-65.6-36174.6-175.460.8000112.7K404 G1001 K1002 D1003 V1007 D1008 N1009K404-D1005 VanDerWaalsContact NZ-CB 3.32Å; K404-D1005 IonicContact NZ-OD1 2.66Å; K404-D1005 PolarHBondContact NZ-OD1 3.12Å; K404-D1005 IonicContact NZ-OD2 2.9Å; K404-D1005 PolarHBondContact NZ-OD2 3.4Å; K404-D1005 VanDerWaalsContact NZ-OD2 3.12Å; G1001-D1005 VanDerWaalsContact O-CB 3.24Å; G1001-D1005 WeakPolarHBondContact O-CB 3.35Å; G1001-D1005 PolarHBondContact O-N 3.1Å; G1001-D1005 VanDerWaalsContact O-N 3.09Å; K1002-D1005 WeakPolarHBondContact O-CB 3.39Å; K1002-D1005 PolarHBondContact O-N 2.82Å; D1003-D1005 VanDerWaalsContact C-N 3.32Å; D1003-D1005 PolarHBondContact O-N 3.01Å; D1005-V1007 VanDerWaalsContact C-N 3.3Å; D1005-D1008 PolarHBondContact O-N 3.43Å; D1005-N1009 WeakPolarHBondContact O-CB 3.16Å; D1005-N1009 PolarHBondContact O-N 3.2Å; D1005-N1009 PolarHBondContact OD1-ND2 3.47Å
1006V91.4Very high90.1Very high20 Ų2027.1 Ų27.112%0.12114%0.141CC..Iπ-helixtrans-62.1-42.4171.91690000109.9K1002 D1003 V1004 A1010 I1011 N1182 S1185K1002-V1006 WeakPolarHBondContact O-CG2 3.48Å; K1002-V1006 PolarHBondContact O-N 2.76Å; D1003-V1006 WeakPolarHBondContact O-CB 3.03Å; D1003-V1006 PolarHBondContact O-N 3.23Å; V1004-V1006 VanDerWaalsContact C-N 3.32Å; V1004-V1006 PolarHBondContact O-N 2.88Å; V1006-A1010 HydrophobicContact CB-CB 4.41Å; V1006-A1010 HydrophobicContact CG1-CB 4.11Å; V1006-A1010 PolarHBondContact O-N 2.94Å; V1006-I1011 HydrophobicContact CG1-CD1 4.21Å; V1006-I1011 HydrophobicContact CG1-CG1 3.86Å; V1006-I1011 WeakPolarHBondContact O-CG1 3.42Å; V1006-I1011 PolarHBondContact O-N 3.3Å; V1006-N1182 HydrophobicContact CG1-CB 4.02Å; V1006-N1182 WeakPolarHBondContact CG1-O 3.47Å; V1006-S1185 VanDerWaalsContact CG1-OG 3.22Å; V1006-S1185 WeakPolarHBondContact CG1-OG 3.39Å
1007V91Very high90.1Very high2 Ų230.3 Ų30.31%0.01216%0.157CC..Iπ-helixtrans-62-44.5174174.60000112.2Y890 M972 D1003 V1004 D1005 I1011 P1012 V1186Y890-V1007 HydrophobicContact CE2-CG1 4.06Å; M972-V1007 HydrophobicContact SD-CG1 4.06Å; D1003-V1007 WeakPolarHBondContact O-CG2 3.44Å; D1003-V1007 PolarHBondContact O-N 2.89Å; V1004-V1007 CarbonylContact O-C 3.6Å; V1004-V1007 WeakPolarHBondContact O-CB 3.48Å; V1004-V1007 PolarHBondContact O-N 2.76Å; D1005-V1007 VanDerWaalsContact C-N 3.3Å; V1007-I1011 HydrophobicContact CG2-CD1 4.1Å; V1007-P1012 WeakPolarHBondContact O-CD 3.41Å; V1007-V1186 HydrophobicContact CG2-CG2 3.74Å
1008D90.6Very high90.1Very high10 Ų1032.4 Ų32.45%0.05316%0.163CC..Iπ-helixtrans-74.5-36.2-176.5-73.1-19.4000113.4R438 L445 G969 V1004 D1005R438-D1008 IonicContact CZ-OD1 3.78Å; R438-D1008 IonicContact CZ-OD2 3.18Å; R438-D1008 VanDerWaalsContact CZ-OD2 3.23Å; R438-D1008 IonicContact NH1-OD2 3.79Å; R438-D1008 PolarHBondContact NH1-OD2 3.36Å; R438-D1008 IonicContact NH2-OD1 2.92Å; R438-D1008 PolarHBondContact NH2-OD1 3.26Å; R438-D1008 IonicContact NH2-OD2 3.29Å; R438-D1008 PolarHBondContact NH2-OD2 3.47Å; L445-D1008 HydrophobicContact CD1-CB 4.39Å; G969-D1008 WeakPolarHBondContact CA-OD1 3.42Å; V1004-D1008 WeakPolarHBondContact O-CB 3.4Å; V1004-D1008 PolarHBondContact O-N 3.16Å; D1005-D1008 PolarHBondContact O-N 3.43Å
1009N87.8Confident90.2Very high20 Ų2029 Ų2911%0.10715%0.145CC..Iπ-helixtrans-120-46.2-169.2-77.5-64.1000114.7R452 D1005 I1013R452-N1009 PolarHBondContact NH1-OD1 2.58Å; R452-N1009 PolarHBondContact NH2-OD1 3.36Å; D1005-N1009 WeakPolarHBondContact O-CB 3.16Å; D1005-N1009 PolarHBondContact O-N 3.2Å; D1005-N1009 PolarHBondContact OD1-ND2 3.47Å; N1009-I1013 VanDerWaalsContact O-CD1 3.28Å; N1009-I1013 WeakPolarHBondContact O-CD1 3.14Å; N1009-I1013 VanDerWaalsContact O-CG1 3.31Å; N1009-I1013 WeakPolarHBondContact O-CG1 3.22Å
1010A89.1Confident90.2Very high29 Ų2931.9 Ų31.924%0.2416%0.159CC..Iπ-helixtrans-85.2-45-170.100000113.1V1006 I1013 T1014V1006-A1010 HydrophobicContact CB-CB 4.41Å; V1006-A1010 HydrophobicContact CG1-CB 4.11Å; V1006-A1010 PolarHBondContact O-N 2.94Å; A1010-I1013 PolarHBondContact O-N 3.38Å; A1010-T1014 WeakPolarHBondContact O-CB 3.37Å; A1010-T1014 PolarHBondContact O-N 3.18Å; A1010-T1014 PolarHBondContact O-OG1 2.96Å
1011I89.4Confident90Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-58-45.6176.5-67.3-179.9000111.6Y890 V1006 V1007 I1013 T1014 V1015 N1182 I1183 V1186Y890-I1011 HydrophobicContact CD1-CG2 4.4Å; Y890-I1011 HydrophobicContact CE1-CG2 3.51Å; Y890-I1011 HydrophobicContact CE2-CG2 4.46Å; Y890-I1011 WeakPolarHBondContact OH-CG2 3.36Å; V1006-I1011 HydrophobicContact CG1-CD1 4.21Å; V1006-I1011 HydrophobicContact CG1-CG1 3.86Å; V1006-I1011 WeakPolarHBondContact O-CG1 3.42Å; V1006-I1011 PolarHBondContact O-N 3.3Å; V1007-I1011 HydrophobicContact CG2-CD1 4.1Å; I1011-I1013 VanDerWaalsContact C-N 3.3Å; I1011-I1013 PolarHBondContact O-N 2.83Å; I1011-T1014 PolarHBondContact O-N 3.31Å; I1011-T1014 VanDerWaalsContact O-N 3.14Å; I1011-V1015 HydrophobicContact CG2-CG2 3.77Å; I1011-V1015 WeakPolarHBondContact O-CB 3.37Å; I1011-V1015 VanDerWaalsContact O-CG2 3.3Å; I1011-V1015 WeakPolarHBondContact O-CG2 3.31Å; I1011-V1015 PolarHBondContact O-N 3Å; I1011-N1182 HydrophobicContact CG1-CB 4.02Å; I1011-I1183 HydrophobicContact CD1-CD1 4.49Å; I1011-V1186 HydrophobicContact CD1-CG2 3.41Å; I1011-V1186 VanDerWaalsContact CD1-CG2 3.41Å
1012P87.4Confident90Very high19 Ų1934.2 Ų34.212%0.12317%0.168CC..Hα-helixtrans-60.8-40.1179.9-26.538.2000112.5M965 V1007 R1016M965-P1012 HydrophobicContact CB-CB 3.92Å; M965-P1012 HydrophobicContact CB-CG 3.67Å; M965-P1012 HydrophobicContact CG-CB 3.88Å; M965-P1012 HydrophobicContact CG-CG 3.99Å; M965-P1012 HydrophobicContact SD-CB 4.38Å; M965-P1012 HydrophobicContact SD-CG 4.2Å; V1007-P1012 WeakPolarHBondContact O-CD 3.41Å; P1012-R1016 VanDerWaalsContact O-CB 3.31Å; P1012-R1016 WeakPolarHBondContact O-CB 3.31Å; P1012-R1016 PolarHBondContact O-N 2.84Å
1013I87.6Confident90.1Very high71 Ų7128.9 Ų28.936%0.36415%0.146SC..Hα-helixtrans-66.4-46.9175.3-64.7170.9000110N1009 A1010 I1011 R1016 M1017N1009-I1013 VanDerWaalsContact O-CD1 3.28Å; N1009-I1013 WeakPolarHBondContact O-CD1 3.14Å; N1009-I1013 VanDerWaalsContact O-CG1 3.31Å; N1009-I1013 WeakPolarHBondContact O-CG1 3.22Å; A1010-I1013 PolarHBondContact O-N 3.38Å; I1011-I1013 VanDerWaalsContact C-N 3.3Å; I1011-I1013 PolarHBondContact O-N 2.83Å; I1013-R1016 WeakPolarHBondContact O-CB 3.31Å; I1013-R1016 PolarHBondContact O-N 2.89Å; I1013-M1017 HydrophobicContact CG2-CG 4.17Å; I1013-M1017 WeakPolarHBondContact O-CB 3.43Å; I1013-M1017 WeakPolarHBondContact O-CG 3.37Å; I1013-M1017 PolarHBondContact O-N 2.96Å
1014T87.2Confident90.1Very high3 Ų331.6 Ų31.62%0.01816%0.161CC..Hα-helixtrans-66.6-45.5-175.8-510000111.9A1010 I1011 R1016 M1017 W1018 E1178 L1179 N1182A1010-T1014 WeakPolarHBondContact O-CB 3.37Å; A1010-T1014 PolarHBondContact O-N 3.18Å; A1010-T1014 PolarHBondContact O-OG1 2.96Å; I1011-T1014 PolarHBondContact O-N 3.31Å; I1011-T1014 VanDerWaalsContact O-N 3.14Å; T1014-R1016 VanDerWaalsContact C-N 3.31Å; T1014-R1016 PolarHBondContact O-N 2.79Å; T1014-M1017 PolarHBondContact O-N 3.25Å; T1014-W1018 WeakPolarHBondContact O-CB 3.38Å; T1014-W1018 PolarHBondContact O-N 2.79Å; T1014-E1178 HydrophobicContact CG2-CB 4Å; T1014-E1178 HydrophobicContact CG2-CG 3.84Å; T1014-L1179 VanDerWaalsContact CG2-CA 3.45Å; T1014-L1179 HydrophobicContact CG2-CB 3.87Å; T1014-L1179 HydrophobicContact CG2-CD1 4.26Å; T1014-L1179 VanDerWaalsContact CG2-N 3.33Å; T1014-N1182 PolarHBondContact OG1-ND2 3.2Å
1015V89.3Confident89.9Confident17 Ų1732.2 Ų32.210%0.10317%0.165CC..Hα-helixtrans-59.8-43.1175.8170.10000110.5L961 M965 I1011 M1019 L1179L961-V1015 HydrophobicContact CD1-CG1 4.48Å; M965-V1015 HydrophobicContact CE-CB 4.01Å; M965-V1015 HydrophobicContact CE-CG1 3.79Å; M965-V1015 HydrophobicContact CE-CG2 4.15Å; I1011-V1015 HydrophobicContact CG2-CG2 3.77Å; I1011-V1015 WeakPolarHBondContact O-CB 3.37Å; I1011-V1015 VanDerWaalsContact O-CG2 3.3Å; I1011-V1015 WeakPolarHBondContact O-CG2 3.31Å; I1011-V1015 PolarHBondContact O-N 3Å; V1015-M1019 VanDerWaalsContact O-CB 3.27Å; V1015-M1019 WeakPolarHBondContact O-CB 3.42Å; V1015-M1019 PolarHBondContact O-N 2.84Å; V1015-L1179 HydrophobicContact CG2-CD1 3.61Å
1016R88.6Confident89.9Confident60 Ų6034.4 Ų34.423%0.22618%0.175CC..Hα-helixtrans-61.7-51.4175.6-178.4-179.664.1105.514.1111.8S456 Y906 L961 P1012 I1013 T1014 W1018 M1019 M1020S456-R1016 PolarHBondContact OG-NH1 3.48Å; Y906-R1016 HydrophobicContact CE1-CG 4.36Å; Y906-R1016 WeakPolarHBondContact OH-CG 3.17Å; L961-R1016 HydrophobicContact CD2-CB 3.71Å; L961-R1016 HydrophobicContact CD2-CG 4.18Å; P1012-R1016 VanDerWaalsContact O-CB 3.31Å; P1012-R1016 WeakPolarHBondContact O-CB 3.31Å; P1012-R1016 PolarHBondContact O-N 2.84Å; I1013-R1016 WeakPolarHBondContact O-CB 3.31Å; I1013-R1016 PolarHBondContact O-N 2.89Å; T1014-R1016 VanDerWaalsContact C-N 3.31Å; T1014-R1016 PolarHBondContact O-N 2.79Å; R1016-W1018 VanDerWaalsContact C-N 3.33Å; R1016-W1018 PolarHBondContact O-N 2.78Å; R1016-M1019 PolarHBondContact O-N 3.33Å; R1016-M1020 WeakPolarHBondContact O-CB 3.41Å; R1016-M1020 WeakPolarHBondContact O-CG 3.27Å; R1016-M1020 PolarHBondContact O-N 2.83Å
1017M90.1Very high89.9Confident66 Ų6633.6 Ų33.633%0.32517%0.171SC..Hα-helixtrans-65.2-39.2-177.8-64.8-70.5-85.700111.1I1013 T1014 M1020 S1021 M1175I1013-M1017 HydrophobicContact CG2-CG 4.17Å; I1013-M1017 WeakPolarHBondContact O-CB 3.43Å; I1013-M1017 WeakPolarHBondContact O-CG 3.37Å; I1013-M1017 PolarHBondContact O-N 2.96Å; T1014-M1017 PolarHBondContact O-N 3.25Å; M1017-M1020 PolarHBondContact O-N 3.19Å; M1017-S1021 VanDerWaalsContact O-CB 3.22Å; M1017-S1021 WeakPolarHBondContact O-CB 3.33Å; M1017-S1021 PolarHBondContact O-N 3.18Å; M1017-M1175 HydrophobicContact CB-CG 4.37Å; M1017-M1175 HydrophobicContact CB-SD 3.56Å; M1017-M1175 VanDerWaalsContact CB-SD 3.56Å
1018W90.5Very high89.9Confident75 Ų7533.5 Ų33.528%0.28417%0.17SC..Hα-helixtrans-60.8-50.1173174.183.4000111.7T1014 R1016 M1020 S1021 M1022 M1175 M1176 L1179T1014-W1018 WeakPolarHBondContact O-CB 3.38Å; T1014-W1018 PolarHBondContact O-N 2.79Å; R1016-W1018 VanDerWaalsContact C-N 3.33Å; R1016-W1018 PolarHBondContact O-N 2.78Å; W1018-M1020 PolarHBondContact O-N 3.26Å; W1018-S1021 PolarHBondContact O-N 2.97Å; W1018-S1021 VanDerWaalsContact O-N 3.16Å; W1018-M1022 HydrophobicContact CD2-CG 4.22Å; W1018-M1022 HydrophobicContact CZ2-CG 4.09Å; W1018-M1022 WeakPolarHBondContact O-CG 3.39Å; W1018-M1022 PolarHBondContact O-N 3.3Å; W1018-M1175 HydrophobicContact CB-CB 4.26Å; W1018-M1176 PolarHBondContact NE1-SD 2.9Å; W1018-M1176 VanDerWaalsContact NE1-SD 3.37Å; W1018-L1179 HydrophobicContact CB-CD2 4.3Å; W1018-L1179 HydrophobicContact CD2-CD2 3.7Å; W1018-L1179 HydrophobicContact CE3-CD2 4.12Å; W1018-L1179 HydrophobicContact CG-CD2 3.76Å
1019M89.7Confident89.8Confident14 Ų1434.2 Ų34.27%0.06917%0.174CC..Hα-helixtrans-60.5-45.7178.2-179.3166.350.800111.5I902 L903 Y906 L961 V1015 R1016 S1021 M1022 L1023I902-M1019 HydrophobicContact CG2-CE 4.13Å; L903-M1019 HydrophobicContact CD2-SD 3.85Å; Y906-M1019 HydrophobicContact CD1-CE 3.84Å; Y906-M1019 HydrophobicContact CD1-CG 4.47Å; Y906-M1019 HydrophobicContact CD1-SD 4.47Å; Y906-M1019 HydrophobicContact CD2-CE 3.15Å; Y906-M1019 HydrophobicContact CD2-SD 3.79Å; Y906-M1019 HydrophobicContact CE1-CE 3.86Å; Y906-M1019 HydrophobicContact CE2-CE 3.18Å; Y906-M1019 HydrophobicContact CE2-SD 4.4Å; Y906-M1019 HydrophobicContact CG-CE 3.49Å; Y906-M1019 VanDerWaalsContact CG-CE 3.49Å; Y906-M1019 HydrophobicContact CG-CG 4.28Å; Y906-M1019 HydrophobicContact CG-SD 3.82Å; L961-M1019 HydrophobicContact CD2-CE 4.21Å; V1015-M1019 VanDerWaalsContact O-CB 3.27Å; V1015-M1019 WeakPolarHBondContact O-CB 3.42Å; V1015-M1019 PolarHBondContact O-N 2.84Å; R1016-M1019 PolarHBondContact O-N 3.33Å; M1019-S1021 VanDerWaalsContact C-N 3.33Å; M1019-S1021 PolarHBondContact O-N 3.26Å; M1019-M1022 PolarHBondContact O-N 2.95Å; M1019-L1023 HydrophobicContact CG-CD1 3.97Å; M1019-L1023 WeakPolarHBondContact O-CB 3.43Å; M1019-L1023 VanDerWaalsContact O-CG 3.27Å; M1019-L1023 WeakPolarHBondContact O-CG 3.46Å; M1019-L1023 PolarHBondContact O-N 2.99Å
1020M90.5Very high89.9Confident68 Ų6837 Ų3734%0.33519%0.188SC..Hα-helixtrans-61-40.9174.7-74-68.6-73.700112.1Y906 I954 R1016 M1017 W1018 N1024Y906-M1020 HydrophobicContact CD1-CG 4.25Å; Y906-M1020 HydrophobicContact CD1-SD 3.64Å; Y906-M1020 HydrophobicContact CE1-CG 3.99Å; Y906-M1020 HydrophobicContact CE1-SD 3.73Å; I954-M1020 HydrophobicContact CD1-CE 3.78Å; I954-M1020 HydrophobicContact CD1-SD 4.16Å; I954-M1020 HydrophobicContact CG1-SD 4.46Å; R1016-M1020 WeakPolarHBondContact O-CB 3.41Å; R1016-M1020 WeakPolarHBondContact O-CG 3.27Å; R1016-M1020 PolarHBondContact O-N 2.83Å; M1017-M1020 PolarHBondContact O-N 3.19Å; W1018-M1020 PolarHBondContact O-N 3.26Å; M1020-N1024 WeakPolarHBondContact O-CB 3.48Å; M1020-N1024 PolarHBondContact O-N 3.45Å
1021S91.1Very high90Very high3 Ų335.6 Ų35.62%0.02118%0.176CC..Hα-helixtrans-68.8-42.2-179.9-162.30000112.2M1017 W1018 M1019 N1024 V1025 H1171 S1172M1017-S1021 VanDerWaalsContact O-CB 3.22Å; M1017-S1021 WeakPolarHBondContact O-CB 3.33Å; M1017-S1021 PolarHBondContact O-N 3.18Å; W1018-S1021 PolarHBondContact O-N 2.97Å; W1018-S1021 VanDerWaalsContact O-N 3.16Å; M1019-S1021 VanDerWaalsContact C-N 3.33Å; M1019-S1021 PolarHBondContact O-N 3.26Å; S1021-N1024 PolarHBondContact O-N 2.81Å; S1021-V1025 PolarHBondContact O-N 3.43Å; S1021-H1171 PolarHBondContact OG-CD2 3.34Å; S1021-S1172 VanDerWaalsContact C-OG 3.27Å; S1021-S1172 WeakPolarHBondContact CB-OG 3.32Å; S1021-S1172 PolarHBondContact O-OG 3.16Å; S1021-S1172 WeakPolarHBondContact OG-CA 3.5Å; S1021-S1172 WeakPolarHBondContact OG-CB 3.17Å; S1021-S1172 PolarHBondContact OG-N 2.96Å; S1021-S1172 PolarHBondContact OG-OG 3.33Å
1022M90.5Very high89.9Confident57 Ų5735.6 Ų35.628%0.28118%0.176SC..Hα-helixtrans-63.8-46.9175.7-68.3-59133.400111W1018 M1019 N1024 V1025 I1026 S1172W1018-M1022 HydrophobicContact CD2-CG 4.22Å; W1018-M1022 HydrophobicContact CZ2-CG 4.09Å; W1018-M1022 WeakPolarHBondContact O-CG 3.39Å; W1018-M1022 PolarHBondContact O-N 3.3Å; M1019-M1022 PolarHBondContact O-N 2.95Å; M1022-N1024 VanDerWaalsContact C-N 3.3Å; M1022-N1024 PolarHBondContact O-N 2.91Å; M1022-V1025 PolarHBondContact O-N 2.77Å; M1022-I1026 VanDerWaalsContact O-CG1 3.28Å; M1022-I1026 WeakPolarHBondContact O-CG1 3.3Å; M1022-I1026 PolarHBondContact O-N 2.95Å; M1022-S1172 VanDerWaalsContact CE-CB 3.48Å; M1022-S1172 WeakPolarHBondContact CE-O 3.34Å
1023L93.2Very high89.9Confident24 Ų2437.4 Ų37.413%0.12619%0.185CC..Hα-helixtrans-63.4-35.5175.9-71.5172.7000112.2I907 M1019 I1026 S1027I907-L1023 HydrophobicContact CG1-CD2 3.97Å; M1019-L1023 HydrophobicContact CG-CD1 3.97Å; M1019-L1023 WeakPolarHBondContact O-CB 3.43Å; M1019-L1023 VanDerWaalsContact O-CG 3.27Å; M1019-L1023 WeakPolarHBondContact O-CG 3.46Å; M1019-L1023 PolarHBondContact O-N 2.99Å; L1023-I1026 PolarHBondContact O-N 3.23Å; L1023-S1027 VanDerWaalsContact O-CB 3.27Å; L1023-S1027 WeakPolarHBondContact O-CB 3.47Å; L1023-S1027 PolarHBondContact O-N 3.41Å; L1023-S1027 PolarHBondContact O-OG 3.43Å
1024N91.9Very high90Very high62 Ų6239.1 Ų39.133%0.33219%0.194SC..Hα-helixtrans-65.3-46.3174.4-173.530.3000111.7M1020 S1021 M1022 I1026 S1027 V1028M1020-N1024 WeakPolarHBondContact O-CB 3.48Å; M1020-N1024 PolarHBondContact O-N 3.45Å; S1021-N1024 PolarHBondContact O-N 2.81Å; M1022-N1024 VanDerWaalsContact C-N 3.3Å; M1022-N1024 PolarHBondContact O-N 2.91Å; N1024-I1026 VanDerWaalsContact C-N 3.35Å; N1024-I1026 PolarHBondContact O-N 2.89Å; N1024-S1027 PolarHBondContact O-N 3.47Å; N1024-V1028 VanDerWaalsContact O-CG2 3.25Å; N1024-V1028 WeakPolarHBondContact O-CG2 3.19Å; N1024-V1028 PolarHBondContact O-N 3.44Å
1025V90Very high89.9Confident16 Ų1639.6 Ų39.610%0.09720%0.197CC..Hα-helixtrans-59.5-47.4174.71690000110.7S1021 M1022 S1027 V1028 L1029 A1168 L1169 S1172S1021-V1025 PolarHBondContact O-N 3.43Å; M1022-V1025 PolarHBondContact O-N 2.77Å; V1025-S1027 VanDerWaalsContact C-N 3.3Å; V1025-S1027 PolarHBondContact O-N 2.96Å; V1025-V1028 PolarHBondContact O-N 3.43Å; V1025-L1029 HydrophobicContact CG1-CD1 3.72Å; V1025-L1029 HydrophobicContact CG1-CG 4.3Å; V1025-L1029 WeakPolarHBondContact O-CB 3.34Å; V1025-L1029 WeakPolarHBondContact O-CG 3.34Å; V1025-L1029 PolarHBondContact O-N 2.75Å; V1025-A1168 HydrophobicContact CG2-CB 3.84Å; V1025-L1169 HydrophobicContact CG1-CD2 3.81Å; V1025-L1169 HydrophobicContact CG2-CD2 4.17Å; V1025-S1172 WeakPolarHBondContact CG2-OG 3.49Å
1026I91.7Very high89.7Confident87 Ų8739.1 Ų39.145%0.44619%0.194SC..Hα-helixtrans-59.5-43.3176.9-67.6165.1000110.5M1022 L1023 N1024 L1029 L1030M1022-I1026 VanDerWaalsContact O-CG1 3.28Å; M1022-I1026 WeakPolarHBondContact O-CG1 3.3Å; M1022-I1026 PolarHBondContact O-N 2.95Å; L1023-I1026 PolarHBondContact O-N 3.23Å; N1024-I1026 VanDerWaalsContact C-N 3.35Å; N1024-I1026 PolarHBondContact O-N 2.89Å; I1026-L1029 PolarHBondContact O-N 3.43Å; I1026-L1030 HydrophobicContact CG2-CD1 3.68Å; I1026-L1030 HydrophobicContact CG2-CG 4.11Å; I1026-L1030 VanDerWaalsContact O-CB 3.31Å; I1026-L1030 WeakPolarHBondContact O-CB 3.44Å; I1026-L1030 VanDerWaalsContact O-CG 3.24Å; I1026-L1030 WeakPolarHBondContact O-CG 3.38Å; I1026-L1030 PolarHBondContact O-N 3.13Å
1027S91.7Very high89.6Confident3 Ų340.8 Ų40.82%0.02121%0.213CC..Hα-helixtrans-62.7-46.8179-60.40000111.9S910 L1023 N1024 V1025 L1029 L1030 V1031S910-S1027 PolarHBondContact OG-OG 2.93Å; L1023-S1027 VanDerWaalsContact O-CB 3.27Å; L1023-S1027 WeakPolarHBondContact O-CB 3.47Å; L1023-S1027 PolarHBondContact O-N 3.41Å; L1023-S1027 PolarHBondContact O-OG 3.43Å; N1024-S1027 PolarHBondContact O-N 3.47Å; V1025-S1027 VanDerWaalsContact C-N 3.3Å; V1025-S1027 PolarHBondContact O-N 2.96Å; S1027-L1029 VanDerWaalsContact C-N 3.32Å; S1027-L1029 PolarHBondContact O-N 3.28Å; S1027-L1030 PolarHBondContact O-N 3.26Å; S1027-V1031 WeakPolarHBondContact O-CB 3.48Å; S1027-V1031 VanDerWaalsContact O-CG2 3.26Å; S1027-V1031 WeakPolarHBondContact O-CG2 3.48Å; S1027-V1031 PolarHBondContact O-N 3.23Å
1028V90.2Very high89.4Confident0 Ų043.5 Ų43.50%023%0.228CC..Hα-helixtrans-62-43.6178.3173.60000110.9N1024 V1025 I1032 Y1161 L1165N1024-V1028 VanDerWaalsContact O-CG2 3.25Å; N1024-V1028 WeakPolarHBondContact O-CG2 3.19Å; N1024-V1028 PolarHBondContact O-N 3.44Å; V1025-V1028 PolarHBondContact O-N 3.43Å; V1028-I1032 HydrophobicContact CG1-CD1 3.79Å; V1028-I1032 VanDerWaalsContact O-CG1 3.26Å; V1028-I1032 WeakPolarHBondContact O-CG1 3.48Å; V1028-I1032 PolarHBondContact O-N 2.85Å; V1028-I1032 VanDerWaalsContact O-N 3.07Å; V1028-Y1161 HydrophobicContact CB-CD1 4.07Å; V1028-Y1161 HydrophobicContact CG1-CD1 4.13Å; V1028-Y1161 WeakPolarHBondContact CG1-O 3.47Å; V1028-Y1161 HydrophobicContact CG2-CD1 3.81Å; V1028-Y1161 HydrophobicContact CG2-CE1 4.21Å; V1028-L1165 HydrophobicContact CB-CD1 4.42Å; V1028-L1165 HydrophobicContact CG1-CB 3.77Å; V1028-L1165 HydrophobicContact CG1-CD1 3.82Å; V1028-L1165 HydrophobicContact CG1-CG 4.28Å
1029L87.9Confident89.3Confident25 Ų2540 Ų4013%0.13122%0.215CC..Hα-helixtrans-66.5-44.4177.9-67.7174.5000112.3V1025 I1026 S1027 V1031 I1032 L1033 F1043 L1165V1025-L1029 HydrophobicContact CG1-CD1 3.72Å; V1025-L1029 HydrophobicContact CG1-CG 4.3Å; V1025-L1029 WeakPolarHBondContact O-CB 3.34Å; V1025-L1029 WeakPolarHBondContact O-CG 3.34Å; V1025-L1029 PolarHBondContact O-N 2.75Å; I1026-L1029 PolarHBondContact O-N 3.43Å; S1027-L1029 VanDerWaalsContact C-N 3.32Å; S1027-L1029 PolarHBondContact O-N 3.28Å; L1029-V1031 VanDerWaalsContact C-N 3.35Å; L1029-V1031 PolarHBondContact O-N 3.48Å; L1029-I1032 PolarHBondContact O-N 2.95Å; L1029-L1033 VanDerWaalsContact O-CB 3.25Å; L1029-L1033 WeakPolarHBondContact O-CB 3.48Å; L1029-L1033 WeakPolarHBondContact O-CG 3.12Å; L1029-L1033 PolarHBondContact O-N 3.44Å; L1029-F1043 HydrophobicContact CD1-CE1 3.98Å; L1029-F1043 HydrophobicContact CD1-CE2 4.22Å; L1029-F1043 HydrophobicContact CD1-CZ 3.47Å; L1029-F1043 VanDerWaalsContact CD1-CZ 3.47Å; L1029-F1043 HydrophobicContact CD2-CD1 4.34Å; L1029-F1043 HydrophobicContact CD2-CD2 3.75Å; L1029-F1043 HydrophobicContact CD2-CE1 3.87Å; L1029-F1043 HydrophobicContact CD2-CE2 3.23Å; L1029-F1043 HydrophobicContact CD2-CG 4.29Å; L1029-F1043 HydrophobicContact CD2-CZ 3.3Å; L1029-F1043 HydrophobicContact CG-CE2 4.35Å; L1029-F1043 HydrophobicContact CG-CZ 4.02Å; L1029-L1165 HydrophobicContact CD2-CD1 3.78Å; L1029-L1165 HydrophobicContact CD2-CD2 4.01Å; L1029-L1165 HydrophobicContact CG-CD1 4.19Å
1030L90.8Very high89.2Confident77 Ų7740.9 Ų40.940%0.40322%0.224SC..Hα-helixtrans-60.3-45.4176.8-76.5174.5000111.1I914 I1026 S1027 I1032 L1033 I1034I914-L1030 HydrophobicContact CD1-CD1 4.25Å; I1026-L1030 HydrophobicContact CG2-CD1 3.68Å; I1026-L1030 HydrophobicContact CG2-CG 4.11Å; I1026-L1030 VanDerWaalsContact O-CB 3.31Å; I1026-L1030 WeakPolarHBondContact O-CB 3.44Å; I1026-L1030 VanDerWaalsContact O-CG 3.24Å; I1026-L1030 WeakPolarHBondContact O-CG 3.38Å; I1026-L1030 PolarHBondContact O-N 3.13Å; S1027-L1030 PolarHBondContact O-N 3.26Å; L1030-I1032 PolarHBondContact O-N 3.35Å; L1030-L1033 PolarHBondContact O-N 3.41Å; L1030-I1034 VanDerWaalsContact O-CB 3.3Å; L1030-I1034 WeakPolarHBondContact O-CB 3.5Å; L1030-I1034 WeakPolarHBondContact O-CD1 3.44Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.42Å; L1030-I1034 PolarHBondContact O-N 2.93Å
1031V90.4Very high89.2Confident0 Ų041.1 Ų41.10%024%0.237CC..Hα-helixtrans-59.8-47.8177.7170.20000111I914 F918 S1027 L1029 S1035 L1157 Y1161I914-V1031 HydrophobicContact CB-CG2 4.46Å; I914-V1031 HydrophobicContact CG1-CG2 4.2Å; I914-V1031 HydrophobicContact CG2-CG2 3.91Å; F918-V1031 HydrophobicContact CE2-CG2 4.09Å; S1027-V1031 WeakPolarHBondContact O-CB 3.48Å; S1027-V1031 VanDerWaalsContact O-CG2 3.26Å; S1027-V1031 WeakPolarHBondContact O-CG2 3.48Å; S1027-V1031 PolarHBondContact O-N 3.23Å; L1029-V1031 VanDerWaalsContact C-N 3.35Å; L1029-V1031 PolarHBondContact O-N 3.48Å; V1031-S1035 WeakPolarHBondContact O-CB 3.21Å; V1031-S1035 PolarHBondContact O-N 2.88Å; V1031-S1035 PolarHBondContact O-OG 3.24Å; V1031-L1157 HydrophobicContact CG1-CD1 4.07Å; V1031-L1157 HydrophobicContact CG1-CD2 3.82Å; V1031-L1157 HydrophobicContact CG1-CG 3.69Å; V1031-Y1161 HydrophobicContact CB-CD1 3.98Å; V1031-Y1161 HydrophobicContact CB-CE1 4.11Å; V1031-Y1161 HydrophobicContact CB-CG 4.23Å; V1031-Y1161 HydrophobicContact CG1-CD1 4Å; V1031-Y1161 HydrophobicContact CG1-CD2 3.82Å; V1031-Y1161 HydrophobicContact CG1-CE1 4.24Å; V1031-Y1161 HydrophobicContact CG1-CE2 4.1Å; V1031-Y1161 HydrophobicContact CG1-CG 3.74Å; V1031-Y1161 HydrophobicContact CG2-CD1 4.27Å; V1031-Y1161 HydrophobicContact CG2-CE1 3.88Å
1032I87.5Confident89.1Confident0 Ų043 Ų430%025%0.248CC..Hα-helixtrans-67.7-42.5-179.4-62.8166.3000111.3V1028 L1029 L1030 S1035 T1036 F1039 A1162 L1165V1028-I1032 HydrophobicContact CG1-CD1 3.79Å; V1028-I1032 VanDerWaalsContact O-CG1 3.26Å; V1028-I1032 WeakPolarHBondContact O-CG1 3.48Å; V1028-I1032 PolarHBondContact O-N 2.85Å; V1028-I1032 VanDerWaalsContact O-N 3.07Å; L1029-I1032 PolarHBondContact O-N 2.95Å; L1030-I1032 PolarHBondContact O-N 3.35Å; I1032-S1035 PolarHBondContact O-N 2.81Å; I1032-T1036 WeakPolarHBondContact O-CA 3.44Å; I1032-T1036 PolarHBondContact O-N 3.38Å; I1032-F1039 HydrophobicContact CB-CD1 4.39Å; I1032-F1039 HydrophobicContact CB-CE1 4.46Å; I1032-F1039 HydrophobicContact CD1-CE1 4.45Å; I1032-F1039 HydrophobicContact CD1-CZ 4.4Å; I1032-F1039 HydrophobicContact CG2-CB 3.96Å; I1032-F1039 HydrophobicContact CG2-CD1 3.35Å; I1032-F1039 HydrophobicContact CG2-CD2 3.77Å; I1032-F1039 HydrophobicContact CG2-CE1 3.63Å; I1032-F1039 HydrophobicContact CG2-CE2 4.02Å; I1032-F1039 HydrophobicContact CG2-CG 3.41Å; I1032-F1039 VanDerWaalsContact CG2-CG 3.41Å; I1032-F1039 HydrophobicContact CG2-CZ 3.94Å; I1032-A1162 HydrophobicContact CD1-CB 4.16Å; I1032-L1165 HydrophobicContact CD1-CD2 4.17Å
1033L88.5Confident89.1Confident57 Ų5741 Ų4130%0.29824%0.238SC..Hα-helixtrans-69.7-37.1-178.1-71.5171.9000112.8L1029 L1030 T1036 P1037 F1039 A1040L1029-L1033 VanDerWaalsContact O-CB 3.25Å; L1029-L1033 WeakPolarHBondContact O-CB 3.48Å; L1029-L1033 WeakPolarHBondContact O-CG 3.12Å; L1029-L1033 PolarHBondContact O-N 3.44Å; L1030-L1033 PolarHBondContact O-N 3.41Å; L1033-T1036 CarbonylContact O-C 3.56Å; L1033-P1037 WeakPolarHBondContact O-CA 3.31Å; L1033-F1039 HydrophobicContact CD2-CD1 4.42Å; L1033-A1040 HydrophobicContact CD2-CB 3.66Å
1034I89.1Confident88.9Confident108 Ų10845 Ų4555%0.55426%0.259SS*.Hα-helixtrans-68.2-42173.2-67.7166.8000110F918 L1030F918-I1034 HydrophobicContact CE1-CG2 4.12Å; F918-I1034 HydrophobicContact CE2-CD1 4.45Å; F918-I1034 HydrophobicContact CZ-CB 3.98Å; F918-I1034 HydrophobicContact CZ-CD1 4.46Å; F918-I1034 HydrophobicContact CZ-CG2 3.67Å; L1030-I1034 VanDerWaalsContact O-CB 3.3Å; L1030-I1034 WeakPolarHBondContact O-CB 3.5Å; L1030-I1034 WeakPolarHBondContact O-CD1 3.44Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.42Å; L1030-I1034 PolarHBondContact O-N 2.93Å
1035S85.5Confident88.9Confident12 Ų1245.4 Ų45.48%0.08427%0.265CS..Hα-helixtrans-71.3-34.5-179.4-61.40000113.1V1031 I1032V1031-S1035 WeakPolarHBondContact O-CB 3.21Å; V1031-S1035 PolarHBondContact O-N 2.88Å; V1031-S1035 PolarHBondContact O-OG 3.24Å; I1032-S1035 PolarHBondContact O-N 2.81Å
1036T84.2Confident88.9Confident8 Ų845.3 Ų45.35%0.04927%0.265CS..  trans-148.382.8-173-49.20000110.1I1032 L1033 L1038 F1039 F1141 S1158I1032-T1036 WeakPolarHBondContact O-CA 3.44Å; I1032-T1036 PolarHBondContact O-N 3.38Å; L1033-T1036 CarbonylContact O-C 3.56Å; T1036-L1038 PolarHBondContact O-N 3.18Å; T1036-L1038 VanDerWaalsContact O-N 3.15Å; T1036-F1039 HydrophobicContact CG2-CB 4.42Å; T1036-F1039 WeakPolarHBondContact O-CB 3.34Å; T1036-F1039 PolarHBondContact O-N 3Å; T1036-F1141 HydrophobicContact CG2-CB 3.63Å; T1036-F1141 HydrophobicContact CG2-CD2 4.22Å; T1036-F1141 HydrophobicContact CG2-CG 4.17Å; T1036-S1158 PolarHBondContact OG1-OG 2.91Å
1037P86Confident88.7Confident95 Ų9544.5 Ų44.562%0.61726%0.261SS*.THydrogen-bonded Turntrans-57.8-32.9-175.4-27.935.5000114.5L1033 F1039 A1040L1033-P1037 WeakPolarHBondContact O-CA 3.31Å; P1037-F1039 PolarHBondContact O-N 3.37Å; P1037-F1039 VanDerWaalsContact O-N 3.12Å; P1037-A1040 WeakPolarHBondContact O-CB 3.3Å; P1037-A1040 PolarHBondContact O-N 2.82Å; P1037-A1040 VanDerWaalsContact O-N 3.11Å
1038L86.8Confident88.6Confident122 Ų12249.2 Ų49.264%0.63929%0.289SS*.THydrogen-bonded Turntrans-59-22.7175.9-70.8169.7000113.3T1036 A1040 A1041 F1141T1036-L1038 PolarHBondContact O-N 3.18Å; T1036-L1038 VanDerWaalsContact O-N 3.15Å; L1038-A1040 PolarHBondContact O-N 2.92Å; L1038-A1041 WeakPolarHBondContact O-CB 3.42Å; L1038-A1041 PolarHBondContact O-N 3.17Å; L1038-F1141 HydrophobicContact CB-CD1 4.36Å; L1038-F1141 HydrophobicContact CB-CE1 4.26Å; L1038-F1141 HydrophobicContact CB-CZ 4.4Å
1039F87.8Confident88.7Confident1 Ų153.8 Ų53.80%0.00431%0.313CS..Hα-helixtrans-58.8-28.6176.1-172.8-95.4000112.8I1032 L1033 T1036 P1037 A1041 V1042 F1043 L1134 A1137 A1138 F1141 L1165I1032-F1039 HydrophobicContact CB-CD1 4.39Å; I1032-F1039 HydrophobicContact CB-CE1 4.46Å; I1032-F1039 HydrophobicContact CD1-CE1 4.45Å; I1032-F1039 HydrophobicContact CD1-CZ 4.4Å; I1032-F1039 HydrophobicContact CG2-CB 3.96Å; I1032-F1039 HydrophobicContact CG2-CD1 3.35Å; I1032-F1039 HydrophobicContact CG2-CD2 3.77Å; I1032-F1039 HydrophobicContact CG2-CE1 3.63Å; I1032-F1039 HydrophobicContact CG2-CE2 4.02Å; I1032-F1039 HydrophobicContact CG2-CG 3.41Å; I1032-F1039 VanDerWaalsContact CG2-CG 3.41Å; I1032-F1039 HydrophobicContact CG2-CZ 3.94Å; L1033-F1039 HydrophobicContact CD2-CD1 4.42Å; T1036-F1039 HydrophobicContact CG2-CB 4.42Å; T1036-F1039 WeakPolarHBondContact O-CB 3.34Å; T1036-F1039 PolarHBondContact O-N 3Å; P1037-F1039 PolarHBondContact O-N 3.37Å; P1037-F1039 VanDerWaalsContact O-N 3.12Å; F1039-A1041 PolarHBondContact O-N 3.09Å; F1039-V1042 PolarHBondContact O-N 3.38Å; F1039-V1042 VanDerWaalsContact O-N 3.14Å; F1039-F1043 HydrophobicContact CD1-CB 3.87Å; F1039-F1043 HydrophobicContact CE1-CB 3.76Å; F1039-F1043 HydrophobicContact CE1-CD2 4.03Å; F1039-F1043 HydrophobicContact CE1-CG 4.12Å; F1039-F1043 WeakPolarHBondContact O-CB 3.48Å; F1039-F1043 PolarHBondContact O-N 2.91Å; F1039-L1134 HydrophobicContact CE1-CD2 4.45Å; F1039-L1134 HydrophobicContact CE2-CB 4.38Å; F1039-L1134 HydrophobicContact CE2-CD2 4.39Å; F1039-L1134 WeakPolarHBondContact CE2-O 3.43Å; F1039-L1134 HydrophobicContact CZ-CB 4.03Å; F1039-L1134 HydrophobicContact CZ-CD2 3.85Å; F1039-L1134 HydrophobicContact CZ-CG 4.41Å; F1039-A1137 HydrophobicContact CE2-CB 4.4Å; F1039-A1138 HydrophobicContact CD2-CB 4.41Å; F1039-A1138 HydrophobicContact CE2-CB 4.13Å; F1039-F1141 HydrophobicContact CB-CD2 4.46Å; F1039-F1141 HydrophobicContact CD2-CD2 4.42Å; F1039-L1165 HydrophobicContact CE1-CD2 4.42Å; F1039-L1165 HydrophobicContact CZ-CD2 4.22Å
1040A87.9Confident88.6Confident33 Ų3353.3 Ų53.327%0.27331%0.31SS..Hα-helixtrans-54.6-37.1177.700000112.8L1033 P1037 L1038 V1042 F1043 L1044L1033-A1040 HydrophobicContact CD2-CB 3.66Å; P1037-A1040 WeakPolarHBondContact O-CB 3.3Å; P1037-A1040 PolarHBondContact O-N 2.82Å; P1037-A1040 VanDerWaalsContact O-N 3.11Å; L1038-A1040 PolarHBondContact O-N 2.92Å; A1040-V1042 VanDerWaalsContact C-N 3.31Å; A1040-V1042 PolarHBondContact O-N 3.01Å; A1040-F1043 PolarHBondContact O-N 3.05Å; A1040-L1044 PolarHBondContact O-N 3.37Å; A1040-L1044 VanDerWaalsContact O-N 3.14Å
1041A89.9Confident88.4Confident73 Ų7355.6 Ų55.660%0.60331%0.314SS*.Hα-helixtrans-65.8-31.9-177.800000113L1038 F1039 P1045L1038-A1041 WeakPolarHBondContact O-CB 3.42Å; L1038-A1041 PolarHBondContact O-N 3.17Å; F1039-A1041 PolarHBondContact O-N 3.09Å; A1041-P1045 WeakPolarHBondContact O-CD 3.44Å; A1041-P1045 WeakPolarHBondContact O-CG 3.37Å
1042V90.8Very high88.3Confident42 Ų4258 Ų5826%0.25533%0.334SS..Hα-helixtrans-89.2-36.3176.4-177.20000110.9F1039 A1040 P1045 V1046 L1134 A1137 F1141F1039-V1042 PolarHBondContact O-N 3.38Å; F1039-V1042 VanDerWaalsContact O-N 3.14Å; A1040-V1042 VanDerWaalsContact C-N 3.31Å; A1040-V1042 PolarHBondContact O-N 3.01Å; V1042-P1045 WeakPolarHBondContact O-CD 3.41Å; V1042-V1046 HydrophobicContact CG1-CG2 4.28Å; V1042-V1046 VanDerWaalsContact O-CG2 3.29Å; V1042-V1046 WeakPolarHBondContact O-CG2 3.45Å; V1042-V1046 PolarHBondContact O-N 3.32Å; V1042-L1134 HydrophobicContact CG1-CD2 4.36Å; V1042-A1137 HydrophobicContact CB-CB 4.19Å; V1042-A1137 HydrophobicContact CG1-CB 3.87Å; V1042-A1137 HydrophobicContact CG2-CB 4.19Å; V1042-F1141 HydrophobicContact CG2-CE2 3.94Å; V1042-F1141 HydrophobicContact CG2-CZ 3.83Å
1043F88.7Confident88.3Confident15 Ų1559.2 Ų59.27%0.06634%0.341CS..Hα-helixtrans-62.9-47.1-177176.6-107.3000113.1L1029 F1039 A1040 V1046 L1047 L1134 L1165L1029-F1043 HydrophobicContact CD1-CE1 3.98Å; L1029-F1043 HydrophobicContact CD1-CE2 4.22Å; L1029-F1043 HydrophobicContact CD1-CZ 3.47Å; L1029-F1043 VanDerWaalsContact CD1-CZ 3.47Å; L1029-F1043 HydrophobicContact CD2-CD1 4.34Å; L1029-F1043 HydrophobicContact CD2-CD2 3.75Å; L1029-F1043 HydrophobicContact CD2-CE1 3.87Å; L1029-F1043 HydrophobicContact CD2-CE2 3.23Å; L1029-F1043 HydrophobicContact CD2-CG 4.29Å; L1029-F1043 HydrophobicContact CD2-CZ 3.3Å; L1029-F1043 HydrophobicContact CG-CE2 4.35Å; L1029-F1043 HydrophobicContact CG-CZ 4.02Å; F1039-F1043 HydrophobicContact CD1-CB 3.87Å; F1039-F1043 HydrophobicContact CE1-CB 3.76Å; F1039-F1043 HydrophobicContact CE1-CD2 4.03Å; F1039-F1043 HydrophobicContact CE1-CG 4.12Å; F1039-F1043 WeakPolarHBondContact O-CB 3.48Å; F1039-F1043 PolarHBondContact O-N 2.91Å; A1040-F1043 PolarHBondContact O-N 3.05Å; F1043-V1046 PolarHBondContact O-N 2.95Å; F1043-L1047 HydrophobicContact CE1-CB 4.49Å; F1043-L1047 HydrophobicContact CE1-CD2 3.99Å; F1043-L1047 HydrophobicContact CZ-CB 4.29Å; F1043-L1047 HydrophobicContact CZ-CD1 4.19Å; F1043-L1047 HydrophobicContact CZ-CD2 4.06Å; F1043-L1047 HydrophobicContact CZ-CG 4.42Å; F1043-L1047 WeakPolarHBondContact O-CB 3.46Å; F1043-L1047 PolarHBondContact O-N 3.39Å; F1043-L1134 HydrophobicContact CD2-CD1 4.36Å; F1043-L1134 HydrophobicContact CD2-CD2 4.32Å; F1043-L1165 HydrophobicContact CE2-CD2 4.46Å
1044L90.1Very high88.1Confident108 Ų10858.1 Ų58.157%0.56534%0.335SS*.Hα-helixtrans-60-48.6-176.5-72.6172.4000113A1040 V1046 L1047 V1048A1040-L1044 PolarHBondContact O-N 3.37Å; A1040-L1044 VanDerWaalsContact O-N 3.14Å; L1044-V1046 PolarHBondContact O-N 3.48Å; L1044-L1047 WeakPolarHBondContact O-CB 3.48Å; L1044-L1047 PolarHBondContact O-N 2.82Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.28Å; L1044-V1048 PolarHBondContact O-N 3.02Å; L1044-V1048 VanDerWaalsContact O-N 3.12Å
1045P92.2Very high87.8Confident72 Ų7259.5 Ų59.547%0.46833%0.333SS..Hα-helixtrans-60.3-41.9173.5-25.634.1000113.7A1041 V1042 L1047 V1048 L1049A1041-P1045 WeakPolarHBondContact O-CD 3.44Å; A1041-P1045 WeakPolarHBondContact O-CG 3.37Å; V1042-P1045 WeakPolarHBondContact O-CD 3.41Å; P1045-L1047 VanDerWaalsContact C-N 3.3Å; P1045-L1047 PolarHBondContact O-N 3.36Å; P1045-V1048 PolarHBondContact O-N 3.06Å; P1045-L1049 WeakPolarHBondContact O-CG 3.45Å; P1045-L1049 PolarHBondContact O-N 2.93Å
1046V90Very high87.8Confident13 Ų1360.1 Ų60.18%0.07934%0.336CS..Hα-helixtrans-64.1-38178.1172.70000110.9V1042 F1043 L1044 L1049 Y1050 L1130 V1133 L1134V1042-V1046 HydrophobicContact CG1-CG2 4.28Å; V1042-V1046 VanDerWaalsContact O-CG2 3.29Å; V1042-V1046 WeakPolarHBondContact O-CG2 3.45Å; V1042-V1046 PolarHBondContact O-N 3.32Å; F1043-V1046 PolarHBondContact O-N 2.95Å; L1044-V1046 PolarHBondContact O-N 3.48Å; V1046-L1049 PolarHBondContact O-N 3.24Å; V1046-Y1050 WeakPolarHBondContact O-CB 3.33Å; V1046-Y1050 PolarHBondContact O-N 3.24Å; V1046-L1130 HydrophobicContact CG1-CB 4.06Å; V1046-L1130 HydrophobicContact CG1-CD2 4.38Å; V1046-V1133 HydrophobicContact CG2-CG1 4.43Å; V1046-L1134 HydrophobicContact CB-CD2 3.96Å; V1046-L1134 HydrophobicContact CB-CG 4.45Å; V1046-L1134 HydrophobicContact CG1-CD1 3.92Å; V1046-L1134 HydrophobicContact CG1-CD2 4Å; V1046-L1134 HydrophobicContact CG1-CG 3.93Å; V1046-L1134 HydrophobicContact CG2-CD2 3.97Å
1047L86.5Confident87.8Confident70 Ų7061.5 Ų61.537%0.36634%0.341SS..Hα-helixtrans-63.4-41.2175.8-175.966.3000112F1043 L1044 P1045 Y1050 Y1051F1043-L1047 HydrophobicContact CE1-CB 4.49Å; F1043-L1047 HydrophobicContact CE1-CD2 3.99Å; F1043-L1047 HydrophobicContact CZ-CB 4.29Å; F1043-L1047 HydrophobicContact CZ-CD1 4.19Å; F1043-L1047 HydrophobicContact CZ-CD2 4.06Å; F1043-L1047 HydrophobicContact CZ-CG 4.42Å; F1043-L1047 WeakPolarHBondContact O-CB 3.46Å; F1043-L1047 PolarHBondContact O-N 3.39Å; L1044-L1047 WeakPolarHBondContact O-CB 3.48Å; L1044-L1047 PolarHBondContact O-N 2.82Å; P1045-L1047 VanDerWaalsContact C-N 3.3Å; P1045-L1047 PolarHBondContact O-N 3.36Å; L1047-Y1050 WeakPolarHBondContact O-CB 3.45Å; L1047-Y1050 PolarHBondContact O-N 3.43Å; L1047-Y1051 WeakPolarHBondContact O-CB 3.38Å; L1047-Y1051 PolarHBondContact O-N 3.5Å
1048V90.6Very high87.6Confident103 Ų10359.5 Ų59.562%0.62433%0.325SS*.Hα-helixtrans-63.2-46.2175.1173.80000110.9L1044 P1045 Y1050 Y1051 A1052L1044-V1048 WeakPolarHBondContact O-CG2 3.28Å; L1044-V1048 PolarHBondContact O-N 3.02Å; L1044-V1048 VanDerWaalsContact O-N 3.12Å; P1045-V1048 PolarHBondContact O-N 3.06Å; V1048-Y1050 VanDerWaalsContact C-N 3.33Å; V1048-Y1050 PolarHBondContact O-N 3.04Å; V1048-Y1051 PolarHBondContact O-N 3.32Å; V1048-A1052 PolarHBondContact O-N 2.88Å
1049L90.7Very high87.4Confident96 Ų9656.3 Ų56.350%0.50331%0.308SS..Hα-helixtrans-61.6-42.8176-72.5172.6000111.8P1045 V1046 Y1051 A1052 V1053 L1130P1045-L1049 WeakPolarHBondContact O-CG 3.45Å; P1045-L1049 PolarHBondContact O-N 2.93Å; V1046-L1049 PolarHBondContact O-N 3.24Å; L1049-Y1051 VanDerWaalsContact C-N 3.35Å; L1049-Y1051 PolarHBondContact O-N 3.48Å; L1049-A1052 PolarHBondContact O-N 3.27Å; L1049-V1053 WeakPolarHBondContact O-CG2 3.3Å; L1049-V1053 PolarHBondContact O-N 3.47Å; L1049-L1130 HydrophobicContact CB-CD1 4.34Å; L1049-L1130 HydrophobicContact CB-CD2 4.28Å; L1049-L1130 HydrophobicContact CD1-CD2 4.29Å
1050Y87.3Confident87.2Confident14 Ų1456.2 Ų56.26%0.05531%0.307CS..Hα-helixtrans-58.4-47.8177-172.4-77.6000110.8V1046 L1047 V1048 A1052 V1053 Q1054 L1127 L1130 L1169 N1170 V1173V1046-Y1050 WeakPolarHBondContact O-CB 3.33Å; V1046-Y1050 PolarHBondContact O-N 3.24Å; L1047-Y1050 WeakPolarHBondContact O-CB 3.45Å; L1047-Y1050 PolarHBondContact O-N 3.43Å; V1048-Y1050 VanDerWaalsContact C-N 3.33Å; V1048-Y1050 PolarHBondContact O-N 3.04Å; Y1050-A1052 PolarHBondContact O-N 3.12Å; Y1050-V1053 PolarHBondContact O-N 3.02Å; Y1050-Q1054 WeakPolarHBondContact O-CB 3.49Å; Y1050-Q1054 PolarHBondContact O-N 2.66Å; Y1050-L1127 HydrophobicContact CD2-CD2 3.67Å; Y1050-L1127 HydrophobicContact CE1-CD2 4.48Å; Y1050-L1127 HydrophobicContact CE2-CB 3.97Å; Y1050-L1127 HydrophobicContact CE2-CD1 4.03Å; Y1050-L1127 HydrophobicContact CE2-CD2 3.6Å; Y1050-L1127 HydrophobicContact CE2-CG 4.05Å; Y1050-L1127 HydrophobicContact CG-CD2 4.14Å; Y1050-L1130 HydrophobicContact CD2-CD1 4.37Å; Y1050-L1169 HydrophobicContact CE2-CB 4.04Å; Y1050-L1169 HydrophobicContact CE2-CD1 4.39Å; Y1050-L1169 PolarHBondContact OH-O 3.2Å; Y1050-N1170 PolarHBondContact OH-N 3.04Å; Y1050-V1173 HydrophobicContact CE1-CG2 3.52Å; Y1050-V1173 WeakPolarHBondContact OH-CG2 3.48Å
1051Y85.3Confident86.9Confident125 Ų12555.1 Ų55.149%0.4930%0.298SS..Hα-helixtrans-61.6-43176.2-179.6-97.9000112.7L1047 V1048 L1049 Q1054 R1055L1047-Y1051 WeakPolarHBondContact O-CB 3.38Å; L1047-Y1051 PolarHBondContact O-N 3.5Å; V1048-Y1051 PolarHBondContact O-N 3.32Å; L1049-Y1051 VanDerWaalsContact C-N 3.35Å; L1049-Y1051 PolarHBondContact O-N 3.48Å; Y1051-Q1054 PolarHBondContact O-N 3.05Å; Y1051-R1055 HydrophobicContact CD1-CG 4.08Å; Y1051-R1055 HydrophobicContact CE1-CG 3.71Å; Y1051-R1055 HydrophobicContact CE2-CG 4.25Å; Y1051-R1055 WeakPolarHBondContact O-CB 3.31Å; Y1051-R1055 WeakPolarHBondContact O-CG 3.37Å; Y1051-R1055 PolarHBondContact O-N 2.97Å; Y1051-R1055 PolarHBondContact OH-NE 3.09Å; Y1051-R1055 PolarHBondContact OH-NH2 2.99Å
1052A88.7Confident86.5Confident50 Ų5057.9 Ų57.941%0.41329%0.293SS..Hα-helixtrans-62.9-45178.100000112.3V1048 L1049 Y1050 Q1054 R1055 T1056V1048-A1052 PolarHBondContact O-N 2.88Å; L1049-A1052 PolarHBondContact O-N 3.27Å; Y1050-A1052 PolarHBondContact O-N 3.12Å; A1052-Q1054 VanDerWaalsContact C-N 3.34Å; A1052-Q1054 PolarHBondContact O-N 3.34Å; A1052-R1055 PolarHBondContact O-N 3.06Å; A1052-T1056 WeakPolarHBondContact O-CG2 3.42Å; A1052-T1056 PolarHBondContact O-N 3.3Å; A1052-T1056 PolarHBondContact O-OG1 2.64Å
1053V88.4Confident86.1Confident27 Ų2757.4 Ų57.416%0.16429%0.288CS..Hα-helixtrans-61.9-43.2175.2171.20000110.8L1049 Y1050 T1056 Y1057 W1122 L1123 R1126 L1127L1049-V1053 WeakPolarHBondContact O-CG2 3.3Å; L1049-V1053 PolarHBondContact O-N 3.47Å; Y1050-V1053 PolarHBondContact O-N 3.02Å; V1053-T1056 PolarHBondContact O-OG1 3.37Å; V1053-Y1057 WeakPolarHBondContact O-CB 3.35Å; V1053-Y1057 PolarHBondContact O-N 2.98Å; V1053-Y1057 VanDerWaalsContact O-N 3.15Å; V1053-W1122 HydrophobicContact CG1-CH2 3.95Å; V1053-W1122 HydrophobicContact CG1-CZ3 3.88Å; V1053-L1123 HydrophobicContact CG1-CD1 3.85Å; V1053-R1126 HydrophobicContact CG1-CB 3.92Å; V1053-R1126 HydrophobicContact CG1-CG 4.34Å; V1053-L1127 HydrophobicContact CB-CD2 4.38Å; V1053-L1127 HydrophobicContact CG1-CD2 3.93Å
1054Q83.3Confident86Confident34 Ų3456.7 Ų56.716%0.15929%0.285CS..Hα-helixtrans-64.3-43.7178.8-173.7-173.5-12.700112Y1050 Y1051 A1052 T1056 Y1057 I1058 V1173Y1050-Q1054 WeakPolarHBondContact O-CB 3.49Å; Y1050-Q1054 PolarHBondContact O-N 2.66Å; Y1051-Q1054 PolarHBondContact O-N 3.05Å; A1052-Q1054 VanDerWaalsContact C-N 3.34Å; A1052-Q1054 PolarHBondContact O-N 3.34Å; Q1054-T1056 PolarHBondContact O-N 3.33Å; Q1054-Y1057 PolarHBondContact O-N 2.89Å; Q1054-I1058 HydrophobicContact CG-CD1 3.76Å; Q1054-I1058 HydrophobicContact CG-CG1 4.32Å; Q1054-I1058 WeakPolarHBondContact O-CG1 3.31Å; Q1054-I1058 PolarHBondContact O-N 3.24Å; Q1054-V1173 HydrophobicContact CG-CG1 4.05Å; Q1054-V1173 VanDerWaalsContact NE2-CG1 3.26Å; Q1054-V1173 VanDerWaalsContact OE1-CG2 3.28Å
1055R82.9Confident85.7Confident136 Ų13656.2 Ų56.251%0.51328%0.278SS..Hα-helixtrans-61.3-43.3179.7-80.2-68.9-167.7-177.11.9112.7Y1051 A1052Y1051-R1055 HydrophobicContact CD1-CG 4.08Å; Y1051-R1055 HydrophobicContact CE1-CG 3.71Å; Y1051-R1055 HydrophobicContact CE2-CG 4.25Å; Y1051-R1055 WeakPolarHBondContact O-CB 3.31Å; Y1051-R1055 WeakPolarHBondContact O-CG 3.37Å; Y1051-R1055 PolarHBondContact O-N 2.97Å; Y1051-R1055 PolarHBondContact OH-NE 3.09Å; Y1051-R1055 PolarHBondContact OH-NH2 2.99Å; A1052-R1055 PolarHBondContact O-N 3.06Å
1056T85.5Confident85.2Confident26 Ų2662 Ų6216%0.1629%0.291CS..Hα-helixtrans-67.7-37.117853.40000112.3W145 A1052 V1053 Q1054 S1060W145-T1056 HydrophobicContact CB-CG2 4.25Å; W145-T1056 HydrophobicContact CD2-CG2 4.22Å; W145-T1056 HydrophobicContact CG-CG2 3.94Å; A1052-T1056 WeakPolarHBondContact O-CG2 3.42Å; A1052-T1056 PolarHBondContact O-N 3.3Å; A1052-T1056 PolarHBondContact O-OG1 2.64Å; V1053-T1056 PolarHBondContact O-OG1 3.37Å; Q1054-T1056 PolarHBondContact O-N 3.33Å; T1056-S1060 PolarHBondContact O-OG 2.91Å; T1056-S1060 VanDerWaalsContact O-OG 3.07Å
1057Y85.3Confident85.1Confident36 Ų3662.4 Ų62.414%0.14129%0.292CS..Hα-helixtrans-66.6-49.8176.1165.4-96.8000113.4V1053 Q1054 L1059 S1060 A1061 S1119 H1120 L1123V1053-Y1057 WeakPolarHBondContact O-CB 3.35Å; V1053-Y1057 PolarHBondContact O-N 2.98Å; V1053-Y1057 VanDerWaalsContact O-N 3.15Å; Q1054-Y1057 PolarHBondContact O-N 2.89Å; Y1057-L1059 VanDerWaalsContact C-N 3.27Å; Y1057-L1059 PolarHBondContact O-N 2.66Å; Y1057-S1060 PolarHBondContact O-N 3.34Å; Y1057-S1060 PolarHBondContact O-OG 3.21Å; Y1057-A1061 HydrophobicContact CD2-CB 4.17Å; Y1057-A1061 HydrophobicContact CE1-CB 4.14Å; Y1057-A1061 HydrophobicContact CE2-CB 3.72Å; Y1057-A1061 VanDerWaalsContact O-CB 3.32Å; Y1057-A1061 WeakPolarHBondContact O-CB 3.19Å; Y1057-A1061 PolarHBondContact O-N 3.37Å; Y1057-S1119 WeakPolarHBondContact CD2-OG 3.29Å; Y1057-S1119 WeakPolarHBondContact CE2-OG 3.34Å; Y1057-H1120 AromaticContact CE2-CD2 3.94Å; Y1057-H1120 AromaticContact CZ-CD2 3.85Å; Y1057-H1120 PolarHBondContact OH-CD2 3.11Å; Y1057-H1120 PolarHBondContact OH-NE2 2.86Å; Y1057-H1120 VanDerWaalsContact OH-NE2 3.13Å; Y1057-L1123 HydrophobicContact CD1-CD1 4.28Å; Y1057-L1123 HydrophobicContact CD1-CD2 3.61Å; Y1057-L1123 HydrophobicContact CD1-CG 4.43Å; Y1057-L1123 HydrophobicContact CD2-CB 3.83Å; Y1057-L1123 HydrophobicContact CD2-CD1 4.4Å; Y1057-L1123 HydrophobicContact CD2-CD2 4.05Å; Y1057-L1123 HydrophobicContact CD2-CG 4.32Å; Y1057-L1123 HydrophobicContact CE1-CD2 3.57Å; Y1057-L1123 HydrophobicContact CE2-CB 4.02Å; Y1057-L1123 HydrophobicContact CE2-CD2 3.98Å; Y1057-L1123 HydrophobicContact CG-CB 4.22Å; Y1057-L1123 HydrophobicContact CG-CD1 3.95Å; Y1057-L1123 HydrophobicContact CG-CD2 3.85Å; Y1057-L1123 HydrophobicContact CG-CG 4.23Å
1058I81.2Confident85.3Confident54 Ų5459.4 Ų59.428%0.27728%0.276SS..Hα-helixtrans-57.5-41.7-172.1-72.6169.5000111.5Q1054 R1062Q1054-I1058 HydrophobicContact CG-CD1 3.76Å; Q1054-I1058 HydrophobicContact CG-CG1 4.32Å; Q1054-I1058 WeakPolarHBondContact O-CG1 3.31Å; Q1054-I1058 PolarHBondContact O-N 3.24Å; I1058-R1062 VanDerWaalsContact O-CB 3.31Å; I1058-R1062 WeakPolarHBondContact O-CB 3.48Å; I1058-R1062 PolarHBondContact O-N 2.97Å
1059L81.5Confident84.9Confident54 Ų5457.3 Ų57.328%0.28327%0.266SS..Hα-helixtrans-65.6-50.2-179.6-78.4159.9000111.8Y1057 Q1063Y1057-L1059 VanDerWaalsContact C-N 3.27Å; Y1057-L1059 PolarHBondContact O-N 2.66Å; L1059-Q1063 VanDerWaalsContact O-CD 3.25Å; L1059-Q1063 VanDerWaalsContact O-CG 3.25Å; L1059-Q1063 WeakPolarHBondContact O-CG 3.42Å; L1059-Q1063 PolarHBondContact O-N 3.09Å
1060S83.6Confident84.7Confident0 Ų057.2 Ų57.20%027%0.27CS..Hα-helixtrans-66.7-44-179.955.20000113T1056 Y1057 R1062 Q1063 L1064T1056-S1060 PolarHBondContact O-OG 2.91Å; T1056-S1060 VanDerWaalsContact O-OG 3.07Å; Y1057-S1060 PolarHBondContact O-N 3.34Å; Y1057-S1060 PolarHBondContact O-OG 3.21Å; S1060-R1062 PolarHBondContact O-N 2.93Å; S1060-Q1063 PolarHBondContact O-N 3.45Å; S1060-L1064 WeakPolarHBondContact O-CG 3.13Å; S1060-L1064 PolarHBondContact O-N 3.22Å
1061A83.4Confident84.8Confident10 Ų1057.3 Ų57.38%0.08327%0.271CS..Hα-helixtrans-62.4-41.4-179.800000112.6Y1057 Q1063 L1064 K1065Y1057-A1061 HydrophobicContact CD2-CB 4.17Å; Y1057-A1061 HydrophobicContact CE1-CB 4.14Å; Y1057-A1061 HydrophobicContact CE2-CB 3.72Å; Y1057-A1061 VanDerWaalsContact O-CB 3.32Å; Y1057-A1061 WeakPolarHBondContact O-CB 3.19Å; Y1057-A1061 PolarHBondContact O-N 3.37Å; A1061-Q1063 PolarHBondContact O-N 2.93Å; A1061-L1064 PolarHBondContact O-N 3.37Å; A1061-K1065 WeakPolarHBondContact O-CB 3.25Å; A1061-K1065 PolarHBondContact O-N 3.1Å
1062R79.6Confident85Confident130 Ų13055.9 Ų55.949%0.49127%0.265SS..Hα-helixtrans-62.2-43176.4173.5170.942.9178.2-8.1112.2I1058 S1060 K1065 R1066I1058-R1062 VanDerWaalsContact O-CB 3.31Å; I1058-R1062 WeakPolarHBondContact O-CB 3.48Å; I1058-R1062 PolarHBondContact O-N 2.97Å; S1060-R1062 PolarHBondContact O-N 2.93Å; R1062-K1065 PolarHBondContact O-N 3.45Å; R1062-R1066 PolarHBondContact O-N 3.16Å; R1062-R1066 VanDerWaalsContact O-N 3.08Å
1063Q83.4Confident84.9Confident33 Ų3356.8 Ų56.815%0.15427%0.268CS..Hα-helixtrans-67-45.1178.8-65.8160.16.100111.1G144 L149 L1059 S1060 A1061 K1065 R1066 I1067G144-Q1063 PolarHBondContact O-NE2 2.93Å; G144-Q1063 PolarHBondContact O-OE1 3.38Å; L149-Q1063 HydrophobicContact CB-CB 4.2Å; L1059-Q1063 VanDerWaalsContact O-CD 3.25Å; L1059-Q1063 VanDerWaalsContact O-CG 3.25Å; L1059-Q1063 WeakPolarHBondContact O-CG 3.42Å; L1059-Q1063 PolarHBondContact O-N 3.09Å; S1060-Q1063 PolarHBondContact O-N 3.45Å; A1061-Q1063 PolarHBondContact O-N 2.93Å; Q1063-K1065 VanDerWaalsContact C-N 3.32Å; Q1063-K1065 PolarHBondContact O-N 3.49Å; Q1063-R1066 WeakPolarHBondContact O-CB 3.4Å; Q1063-R1066 PolarHBondContact O-N 3.4Å; Q1063-R1066 VanDerWaalsContact O-N 3.11Å; Q1063-I1067 WeakPolarHBondContact O-CG1 3.49Å; Q1063-I1067 PolarHBondContact O-N 3.39Å
1064L86.2Confident84.9Confident0 Ų057.7 Ų57.70%028%0.275CS..Hα-helixtrans-58.1-43.6174.5-74.1169.6000111.9F137 L149 L154 S1060 A1061 R1066 I1067 E1068 E1115 N1116F137-L1064 HydrophobicContact CZ-CD1 3.95Å; L149-L1064 HydrophobicContact CD1-CD2 4.13Å; L149-L1064 HydrophobicContact CD1-CG 3.99Å; L154-L1064 HydrophobicContact CD2-CD2 3.69Å; S1060-L1064 WeakPolarHBondContact O-CG 3.13Å; S1060-L1064 PolarHBondContact O-N 3.22Å; A1061-L1064 PolarHBondContact O-N 3.37Å; L1064-R1066 VanDerWaalsContact C-N 3.28Å; L1064-R1066 PolarHBondContact O-N 2.96Å; L1064-I1067 PolarHBondContact O-N 3.38Å; L1064-E1068 WeakPolarHBondContact O-CB 3.41Å; L1064-E1068 PolarHBondContact O-N 3.27Å; L1064-E1115 HydrophobicContact CD1-CB 4.26Å; L1064-E1115 HydrophobicContact CD2-CB 3.93Å; L1064-N1116 HydrophobicContact CB-CB 4.4Å
1065K84Confident85.2Confident98 Ų9856.3 Ų56.343%0.42627%0.269SS..Hα-helixtrans-64.1-33.3177.4-168.854.8166.8-177.20112.7A1061 R1062 Q1063 E1068 S1069A1061-K1065 WeakPolarHBondContact O-CB 3.25Å; A1061-K1065 PolarHBondContact O-N 3.1Å; R1062-K1065 PolarHBondContact O-N 3.45Å; Q1063-K1065 VanDerWaalsContact C-N 3.32Å; Q1063-K1065 PolarHBondContact O-N 3.49Å; K1065-E1068 WeakPolarHBondContact CD-OE2 3.27Å; K1065-E1068 IonicContact NZ-OE1 3.33Å; K1065-E1068 PolarHBondContact NZ-OE1 3.02Å; K1065-E1068 IonicContact NZ-OE2 2.86Å; K1065-E1068 PolarHBondContact NZ-OE2 3.45Å; K1065-S1069 PolarHBondContact O-N 3.12Å
1066R82.6Confident85.5Confident194 Ų19452.4 Ų52.473%0.73226%0.255SS*.Hα-helixtrans-65.4-48174-171.8178.1-178.51770.8110.9R1062 Q1063 L1064 E1068 S1069 V1070R1062-R1066 PolarHBondContact O-N 3.16Å; R1062-R1066 VanDerWaalsContact O-N 3.08Å; Q1063-R1066 WeakPolarHBondContact O-CB 3.4Å; Q1063-R1066 PolarHBondContact O-N 3.4Å; Q1063-R1066 VanDerWaalsContact O-N 3.11Å; L1064-R1066 VanDerWaalsContact C-N 3.28Å; L1064-R1066 PolarHBondContact O-N 2.96Å; R1066-E1068 VanDerWaalsContact C-N 3.33Å; R1066-E1068 PolarHBondContact O-N 3.35Å; R1066-S1069 PolarHBondContact O-N 3.46Å; R1066-V1070 WeakPolarHBondContact O-CG2 3.18Å; R1066-V1070 PolarHBondContact O-N 3.44Å
1067I88.1Confident85.5Confident20 Ų2052.2 Ų52.210%0.10325%0.254CS..Hα-helixtrans-62.9-41.1177.3-58.2166.4000110.8L149 Y151 L154 Q1063 L1064 S1069 V1070 T1071 P1112L149-I1067 HydrophobicContact CB-CD1 4.4Å; Y151-I1067 HydrophobicContact CD2-CG2 3.87Å; L154-I1067 HydrophobicContact CD1-CG2 3.9Å; Q1063-I1067 WeakPolarHBondContact O-CG1 3.49Å; Q1063-I1067 PolarHBondContact O-N 3.39Å; L1064-I1067 PolarHBondContact O-N 3.38Å; I1067-S1069 VanDerWaalsContact C-N 3.31Å; I1067-S1069 PolarHBondContact O-N 3.13Å; I1067-V1070 PolarHBondContact O-N 2.9Å; I1067-T1071 HydrophobicContact CG2-CG2 4.16Å; I1067-T1071 WeakPolarHBondContact O-CB 3.48Å; I1067-T1071 WeakPolarHBondContact O-CG2 3.48Å; I1067-T1071 PolarHBondContact O-N 2.59Å; I1067-T1071 PolarHBondContact O-OG1 2.86Å; I1067-P1112 HydrophobicContact CB-CB 4.27Å; I1067-P1112 HydrophobicContact CG2-CB 4.04Å; I1067-P1112 HydrophobicContact CG2-CG 4.24Å
1068E89.3Confident85.8Confident7 Ų750.8 Ų50.83%0.03325%0.249CC..Hα-helixtrans-57.3-43.5173.7-171.2-157.7132.300111.6L1064 K1065 R1066 T1071 R1072 N1109 P1112 N1116L1064-E1068 WeakPolarHBondContact O-CB 3.41Å; L1064-E1068 PolarHBondContact O-N 3.27Å; K1065-E1068 WeakPolarHBondContact CD-OE2 3.27Å; K1065-E1068 IonicContact NZ-OE1 3.33Å; K1065-E1068 PolarHBondContact NZ-OE1 3.02Å; K1065-E1068 IonicContact NZ-OE2 2.86Å; K1065-E1068 PolarHBondContact NZ-OE2 3.45Å; R1066-E1068 VanDerWaalsContact C-N 3.33Å; R1066-E1068 PolarHBondContact O-N 3.35Å; E1068-T1071 PolarHBondContact O-OG1 3.23Å; E1068-R1072 VanDerWaalsContact O-CB 3.23Å; E1068-R1072 WeakPolarHBondContact O-CB 3.41Å; E1068-R1072 PolarHBondContact O-N 3.47Å; E1068-R1072 VanDerWaalsContact O-N 3.11Å; E1068-N1109 PolarHBondContact O-ND2 2.89Å; E1068-P1112 HydrophobicContact CB-CB 4.09Å; E1068-P1112 HydrophobicContact CB-CG 4.26Å; E1068-N1116 PolarHBondContact OE2-ND2 2.89Å
1069S83.6Confident86.4Confident59 Ų5948.3 Ų48.341%0.41324%0.236SC..Hα-helixtrans-69.2-41.4178.6-168.10000112.5K1065 R1066 I1067 R1072 S1073K1065-S1069 PolarHBondContact O-N 3.12Å; R1066-S1069 PolarHBondContact O-N 3.46Å; I1067-S1069 VanDerWaalsContact C-N 3.31Å; I1067-S1069 PolarHBondContact O-N 3.13Å; S1069-R1072 PolarHBondContact O-N 2.95Å; S1069-S1073 PolarHBondContact O-N 3.09Å
1070V85.6Confident86.7Confident95 Ų9548.7 Ų48.758%0.57624%0.236SC*.Hα-helixtrans-64.9-45.6179.7170.60000110.8R1066 I1067 R1072 S1073 P1074R1066-V1070 WeakPolarHBondContact O-CG2 3.18Å; R1066-V1070 PolarHBondContact O-N 3.44Å; I1067-V1070 PolarHBondContact O-N 2.9Å; V1070-R1072 VanDerWaalsContact C-N 3.29Å; V1070-R1072 PolarHBondContact O-N 3.33Å; V1070-S1073 PolarHBondContact O-N 3.29Å; V1070-P1074 WeakPolarHBondContact O-CD 3.19Å
1071T89.3Confident87Confident15 Ų1550.2 Ų50.29%0.09224%0.243CC..Hα-helixtrans-71.6-21178.253.40000113.4Y151 I1067 E1068 P1074 N1109 P1112Y151-T1071 HydrophobicContact CD2-CG2 3.97Å; Y151-T1071 HydrophobicContact CE2-CG2 3.72Å; I1067-T1071 HydrophobicContact CG2-CG2 4.16Å; I1067-T1071 WeakPolarHBondContact O-CB 3.48Å; I1067-T1071 WeakPolarHBondContact O-CG2 3.48Å; I1067-T1071 PolarHBondContact O-N 2.59Å; I1067-T1071 PolarHBondContact O-OG1 2.86Å; E1068-T1071 PolarHBondContact O-OG1 3.23Å; T1071-P1074 WeakPolarHBondContact O-CD 3.37Å; T1071-N1109 PolarHBondContact OG1-ND2 3.06Å; T1071-P1112 HydrophobicContact CG2-CG 4.49Å
1072R90Very high87.4Confident95 Ų9549.8 Ų49.836%0.35824%0.24SC..Hα-helixtrans-75.4-33177.4-172.8171.862.3178.4-0.6112.8E1068 S1069 V1070 V1075 Y1076 N1109E1068-R1072 VanDerWaalsContact O-CB 3.23Å; E1068-R1072 WeakPolarHBondContact O-CB 3.41Å; E1068-R1072 PolarHBondContact O-N 3.47Å; E1068-R1072 VanDerWaalsContact O-N 3.11Å; S1069-R1072 PolarHBondContact O-N 2.95Å; V1070-R1072 VanDerWaalsContact C-N 3.29Å; V1070-R1072 PolarHBondContact O-N 3.33Å; R1072-V1075 PolarHBondContact O-N 3.31Å; R1072-Y1076 HydrophobicContact CG-CD2 4.07Å; R1072-Y1076 HydrophobicContact CG-CE2 3.48Å; R1072-Y1076 VanDerWaalsContact CG-CE2 3.48Å; R1072-N1109 WeakPolarHBondContact CA-ND2 3.43Å; R1072-N1109 WeakPolarHBondContact CB-ND2 3.29Å; R1072-N1109 PolarHBondContact N-ND2 3.23Å; R1072-N1109 VanDerWaalsContact N-ND2 3.14Å
1073S86.3Confident87.9Confident69 Ų6944.7 Ų44.748%0.48322%0.222SC..Hα-helixtrans-60.9-47.7-177.8-163.20000112.6S1069 V1070 V1075 Y1076 S1077S1069-S1073 PolarHBondContact O-N 3.09Å; V1070-S1073 PolarHBondContact O-N 3.29Å; S1073-V1075 PolarHBondContact O-N 2.87Å; S1073-V1075 VanDerWaalsContact O-N 3.17Å; S1073-Y1076 PolarHBondContact O-N 3.49Å; S1073-Y1076 VanDerWaalsContact O-N 3.1Å; S1073-S1077 PolarHBondContact O-N 3.41Å; S1073-S1077 PolarHBondContact O-OG 2.88Å
1074P87.6Confident88Confident47 Ų4747.2 Ų47.231%0.30524%0.24SC..Hα-helixtrans-55.8-30176-29.535.9000115.8V1070 T1071 S1077 H1078 R1105V1070-P1074 WeakPolarHBondContact O-CD 3.19Å; T1071-P1074 WeakPolarHBondContact O-CD 3.37Å; P1074-S1077 WeakPolarHBondContact CA-OG 3.29Å; P1074-S1077 PolarHBondContact O-OG 3.44Å; P1074-H1078 WeakPolarHBondContact O-CB 3.45Å; P1074-H1078 PolarHBondContact O-N 3.44Å; P1074-H1078 VanDerWaalsContact O-N 3.08Å; P1074-R1105 PolarHBondContact O-NH1 2.79Å
1075V90.4Very high88.2Confident4 Ų447.2 Ų47.22%0.02424%0.24CC..Hα-helixtrans-66.7-45.1177.6177.90000110.2R1072 S1073 F1079 R1105 N1109R1072-V1075 PolarHBondContact O-N 3.31Å; S1073-V1075 PolarHBondContact O-N 2.87Å; S1073-V1075 VanDerWaalsContact O-N 3.17Å; V1075-F1079 WeakPolarHBondContact O-CB 3.33Å; V1075-F1079 PolarHBondContact O-N 3.17Å; V1075-R1105 HydrophobicContact CG2-CB 3.93Å; V1075-R1105 WeakPolarHBondContact CG2-O 3.4Å; V1075-N1109 HydrophobicContact CG2-CB 4.28Å
1076Y89.3Confident88.4Confident55 Ų5542.8 Ų42.822%0.21622%0.221CC..Hα-helixtrans-80.6-37.4-177.9-60.8-46.9000112.9M333 A334 R1072 S1073 F1079 Q1080M333-Y1076 HydrophobicContact CB-CE1 4.39Å; A334-Y1076 HydrophobicContact CB-CD1 4.47Å; A334-Y1076 HydrophobicContact CB-CE1 4Å; A334-Y1076 HydrophobicContact CB-CE2 4.47Å; R1072-Y1076 HydrophobicContact CG-CD2 4.07Å; R1072-Y1076 HydrophobicContact CG-CE2 3.48Å; R1072-Y1076 VanDerWaalsContact CG-CE2 3.48Å; S1073-Y1076 PolarHBondContact O-N 3.49Å; S1073-Y1076 VanDerWaalsContact O-N 3.1Å; Y1076-F1079 PolarHBondContact O-N 2.78Å; Y1076-Q1080 WeakPolarHBondContact O-CB 3.44Å; Y1076-Q1080 PolarHBondContact O-N 3.07Å
1077S85.9Confident88.7Confident21 Ų2134.8 Ų34.815%0.14720%0.197CC..Hα-helixtrans-64.5-44.9175.663.80000110.8E666 S1073 P1074 F1079 Q1080 E1081E666-S1077 WeakPolarHBondContact OE1-CB 3.48Å; S1073-S1077 PolarHBondContact O-N 3.41Å; S1073-S1077 PolarHBondContact O-OG 2.88Å; P1074-S1077 WeakPolarHBondContact CA-OG 3.29Å; P1074-S1077 PolarHBondContact O-OG 3.44Å; S1077-F1079 VanDerWaalsContact C-N 3.31Å; S1077-F1079 PolarHBondContact O-N 3.45Å; S1077-Q1080 PolarHBondContact O-N 2.93Å; S1077-E1081 VanDerWaalsContact O-CB 3.24Å; S1077-E1081 WeakPolarHBondContact O-CB 3.39Å; S1077-E1081 PolarHBondContact O-N 3.24Å
1078H91.8Very high88.9Confident6 Ų634.1 Ų34.13%0.02819%0.193CC..Hα-helixtrans-56.8-44.6172.4-173.960.6000112F310 P1074 T1082 F1098F310-H1078 AromaticContact CE2-CD2 3.81Å; F310-H1078 AromaticContact CZ-CD2 3.9Å; F310-H1078 AromaticContact CZ-NE2 3.79Å; P1074-H1078 WeakPolarHBondContact O-CB 3.45Å; P1074-H1078 PolarHBondContact O-N 3.44Å; P1074-H1078 VanDerWaalsContact O-N 3.08Å; H1078-T1082 VanDerWaalsContact O-CB 3.24Å; H1078-T1082 WeakPolarHBondContact O-CB 3.35Å; H1078-T1082 PolarHBondContact O-N 2.63Å; H1078-T1082 PolarHBondContact O-OG1 3.37Å; H1078-F1098 AromaticContact CE1-CD1 3.47Å; H1078-F1098 VanDerWaalsContact CE1-CD1 3.47Å; H1078-F1098 WeakPolarHBondContact CE1-CD1 3.33Å; H1078-F1098 AromaticContact CE1-CE1 3.88Å; H1078-F1098 AromaticContact NE2-CD1 3.9Å; H1078-F1098 PolarHBondContact NE2-O 3.24Å
1079F92.3Very high89Confident2 Ų233.8 Ų33.81%0.00919%0.192CC..Hα-helixtrans-63-48178179-114.3000112.5V309 F310 C313 M329 V330 M333 V1075 Y1076 S1077 E1081 T1082 L1083V309-F1079 HydrophobicContact CG1-CZ 4.46Å; F310-F1079 HydrophobicContact CD2-CB 4.46Å; F310-F1079 AromaticContact CD2-CD2 3.51Å; F310-F1079 HydrophobicContact CD2-CD2 3.51Å; F310-F1079 HydrophobicContact CD2-CE2 4.23Å; F310-F1079 HydrophobicContact CD2-CG 4.44Å; F310-F1079 HydrophobicContact CE2-CB 4.41Å; F310-F1079 AromaticContact CE2-CD2 3.95Å; F310-F1079 HydrophobicContact CE2-CD2 3.95Å; F310-F1079 HydrophobicContact CG-CD2 4.43Å; C313-F1079 HydrophobicContact CB-CE2 4.14Å; C313-F1079 WeakPolarHBondContact SG-CE2 3.43Å; C313-F1079 VanDerWaalsContact SG-CZ 3.52Å; M329-F1079 HydrophobicContact CB-CE1 4.39Å; M329-F1079 HydrophobicContact CB-CZ 4.27Å; V330-F1079 HydrophobicContact CG2-CD1 4.27Å; V330-F1079 HydrophobicContact CG2-CE1 4.18Å; M333-F1079 HydrophobicContact CB-CD1 4.29Å; M333-F1079 HydrophobicContact CB-CE1 4.07Å; M333-F1079 HydrophobicContact CE-CD2 4.11Å; M333-F1079 HydrophobicContact CE-CE2 4.34Å; M333-F1079 HydrophobicContact CE-CG 4.2Å; M333-F1079 HydrophobicContact CG-CD1 3.97Å; M333-F1079 HydrophobicContact CG-CD2 4.45Å; M333-F1079 HydrophobicContact CG-CE1 3.52Å; M333-F1079 HydrophobicContact CG-CE2 4.02Å; M333-F1079 HydrophobicContact CG-CG 4.39Å; M333-F1079 HydrophobicContact CG-CZ 3.51Å; V1075-F1079 WeakPolarHBondContact O-CB 3.33Å; V1075-F1079 PolarHBondContact O-N 3.17Å; Y1076-F1079 PolarHBondContact O-N 2.78Å; S1077-F1079 VanDerWaalsContact C-N 3.31Å; S1077-F1079 PolarHBondContact O-N 3.45Å; F1079-E1081 VanDerWaalsContact C-N 3.35Å; F1079-E1081 PolarHBondContact O-N 3.48Å; F1079-T1082 WeakPolarHBondContact O-CB 3.27Å; F1079-T1082 PolarHBondContact O-N 3.47Å; F1079-L1083 HydrophobicContact CD1-CD1 4Å; F1079-L1083 HydrophobicContact CD2-CG 4.45Å; F1079-L1083 HydrophobicContact CE1-CD1 3.45Å; F1079-L1083 VanDerWaalsContact CE1-CD1 3.45Å; F1079-L1083 HydrophobicContact CE1-CG 4.3Å; F1079-L1083 HydrophobicContact CE2-CD1 4.13Å; F1079-L1083 HydrophobicContact CE2-CD2 4.38Å; F1079-L1083 HydrophobicContact CE2-CG 4.18Å; F1079-L1083 HydrophobicContact CZ-CD1 3.57Å; F1079-L1083 HydrophobicContact CZ-CD2 4.39Å; F1079-L1083 HydrophobicContact CZ-CG 4.11Å; F1079-L1083 WeakPolarHBondContact O-CG 3.28Å; F1079-L1083 PolarHBondContact O-N 2.65Å
1080Q89.4Confident89.3Confident63 Ų6332.2 Ų32.229%0.29418%0.177SC..Hα-helixtrans-64.3-41.4179.3-172.3178.3-62.300111.6Y1076 S1077 L1083 V1084Y1076-Q1080 WeakPolarHBondContact O-CB 3.44Å; Y1076-Q1080 PolarHBondContact O-N 3.07Å; S1077-Q1080 PolarHBondContact O-N 2.93Å; Q1080-L1083 PolarHBondContact O-N 3.28Å; Q1080-V1084 WeakPolarHBondContact O-CG2 3.22Å; Q1080-V1084 PolarHBondContact O-N 2.98Å; Q1080-V1084 VanDerWaalsContact O-N 3.12Å
1081E89.1Confident89.5Confident31 Ų3128 Ų2815%0.14515%0.152CC..Hα-helixtrans-62.4-44.2175.4-170.7-171.212000111.4W619 Q621 N622 S1077 F1079 L1083 V1084 G1085W619-E1081 HydrophobicContact CZ2-CG 4.15Å; W619-E1081 PolarHBondContact NE1-O 3.06Å; Q621-E1081 VanDerWaalsContact CA-CD 3.4Å; Q621-E1081 WeakPolarHBondContact CA-OE1 3.45Å; Q621-E1081 WeakPolarHBondContact CB-OE1 3.3Å; Q621-E1081 WeakPolarHBondContact CG-OE1 3.45Å; Q621-E1081 PolarHBondContact NE2-OE1 3.47Å; N622-E1081 PolarHBondContact N-OE2 3.31Å; S1077-E1081 VanDerWaalsContact O-CB 3.24Å; S1077-E1081 WeakPolarHBondContact O-CB 3.39Å; S1077-E1081 PolarHBondContact O-N 3.24Å; F1079-E1081 VanDerWaalsContact C-N 3.35Å; F1079-E1081 PolarHBondContact O-N 3.48Å; E1081-L1083 VanDerWaalsContact C-N 3.32Å; E1081-L1083 PolarHBondContact O-N 3.46Å; E1081-V1084 PolarHBondContact O-N 3.42Å; E1081-G1085 PolarHBondContact O-N 3.45Å
1082T92Very high89.6Confident1 Ų128.3 Ų28.31%0.00615%0.152CC..Hα-helixtrans-58.6-43.6174.4-61.20000111.1F310 L314 H1078 F1079 G1085 V1086 I1089 F1098F310-T1082 HydrophobicContact CE1-CG2 4.45Å; F310-T1082 HydrophobicContact CE2-CG2 4.32Å; F310-T1082 HydrophobicContact CZ-CG2 3.82Å; L314-T1082 HydrophobicContact CD2-CG2 3.65Å; L314-T1082 HydrophobicContact CG-CG2 4.24Å; H1078-T1082 VanDerWaalsContact O-CB 3.24Å; H1078-T1082 WeakPolarHBondContact O-CB 3.35Å; H1078-T1082 PolarHBondContact O-N 2.63Å; H1078-T1082 PolarHBondContact O-OG1 3.37Å; F1079-T1082 WeakPolarHBondContact O-CB 3.27Å; F1079-T1082 PolarHBondContact O-N 3.47Å; T1082-G1085 CarbonylContact O-C 3.41Å; T1082-G1085 PolarHBondContact O-N 3.33Å; T1082-V1086 WeakPolarHBondContact O-CG2 3.39Å; T1082-V1086 PolarHBondContact O-N 2.95Å; T1082-I1089 HydrophobicContact CG2-CD1 3.78Å; T1082-F1098 HydrophobicContact CG2-CD1 4.28Å; T1082-F1098 WeakPolarHBondContact OG1-CD1 3.42Å
1083L88.9Confident89.5Confident24 Ų2429.5 Ų29.513%0.12616%0.161CC..Hα-helixtrans-65.6-37.8-179.3-76.2-177.8000113.5C313 L326 M329 V330 F1079 Q1080 E1081 G1085 V1086C313-L1083 HydrophobicContact CB-CD2 3.62Å; L326-L1083 HydrophobicContact CD1-CB 3.52Å; L326-L1083 HydrophobicContact CD1-CD1 3.48Å; L326-L1083 VanDerWaalsContact CD1-CD1 3.48Å; L326-L1083 HydrophobicContact CD1-CG 4.15Å; M329-L1083 HydrophobicContact CB-CD1 3.86Å; M329-L1083 HydrophobicContact SD-CD1 4.07Å; M329-L1083 HydrophobicContact SD-CD2 3.72Å; V330-L1083 HydrophobicContact CG2-CD1 4.47Å; F1079-L1083 HydrophobicContact CD1-CD1 4Å; F1079-L1083 HydrophobicContact CD2-CG 4.45Å; F1079-L1083 HydrophobicContact CE1-CD1 3.45Å; F1079-L1083 VanDerWaalsContact CE1-CD1 3.45Å; F1079-L1083 HydrophobicContact CE1-CG 4.3Å; F1079-L1083 HydrophobicContact CE2-CD1 4.13Å; F1079-L1083 HydrophobicContact CE2-CD2 4.38Å; F1079-L1083 HydrophobicContact CE2-CG 4.18Å; F1079-L1083 HydrophobicContact CZ-CD1 3.57Å; F1079-L1083 HydrophobicContact CZ-CD2 4.39Å; F1079-L1083 HydrophobicContact CZ-CG 4.11Å; F1079-L1083 WeakPolarHBondContact O-CG 3.28Å; F1079-L1083 PolarHBondContact O-N 2.65Å; Q1080-L1083 PolarHBondContact O-N 3.28Å; E1081-L1083 VanDerWaalsContact C-N 3.32Å; E1081-L1083 PolarHBondContact O-N 3.46Å; L1083-G1085 VanDerWaalsContact C-N 3.31Å; L1083-V1086 WeakPolarHBondContact O-CG2 3.33Å
1084V86.5Confident89.8Confident85 Ų8526.6 Ų26.652%0.51514%0.142SC..Hα-helixtrans-70.7-33.1174.2177.30000110.7L326 Q1080 E1081L326-V1084 HydrophobicContact CD2-CG2 4.42Å; Q1080-V1084 WeakPolarHBondContact O-CG2 3.22Å; Q1080-V1084 PolarHBondContact O-N 2.98Å; Q1080-V1084 VanDerWaalsContact O-N 3.12Å; E1081-V1084 PolarHBondContact O-N 3.42Å
1085G89.5Confident90Very high1 Ų127.1 Ų27.11%0.0114%0.14CC..THydrogen-bonded Turntrans-93.35.7-175.900000117.2W619 E1081 T1082 L1083 A1087 V1088 I1089W619-G1085 VanDerWaalsContact CE2-CA 3.42Å; E1081-G1085 PolarHBondContact O-N 3.45Å; T1082-G1085 CarbonylContact O-C 3.41Å; T1082-G1085 PolarHBondContact O-N 3.33Å; L1083-G1085 VanDerWaalsContact C-N 3.31Å; G1085-A1087 VanDerWaalsContact C-N 3.32Å; G1085-A1087 PolarHBondContact O-N 3.41Å; G1085-V1088 WeakPolarHBondContact O-CA 3.36Å; G1085-V1088 WeakPolarHBondContact O-CB 3.4Å; G1085-V1088 PolarHBondContact O-N 2.9Å; G1085-I1089 WeakPolarHBondContact O-CG1 3.31Å; G1085-I1089 PolarHBondContact O-N 3.33Å
1086V89.5Confident90.1Very high4 Ų431.8 Ų31.82%0.02416%0.162CC..Hα-helixtrans-52.8-46.4-168175.30000113T1082 L1083 V1088 I1089 R1090T1082-V1086 WeakPolarHBondContact O-CG2 3.39Å; T1082-V1086 PolarHBondContact O-N 2.95Å; L1083-V1086 WeakPolarHBondContact O-CG2 3.33Å; V1086-V1088 VanDerWaalsContact C-N 3.29Å; V1086-V1088 PolarHBondContact O-N 3.32Å; V1086-I1089 PolarHBondContact O-N 3.03Å; V1086-R1090 HydrophobicContact CG1-CG 4.33Å; V1086-R1090 WeakPolarHBondContact O-CB 3.21Å; V1086-R1090 WeakPolarHBondContact O-CG 3.47Å; V1086-R1090 PolarHBondContact O-N 2.89Å
1087A88.2Confident90.3Very high27 Ų2734.7 Ų34.722%0.22317%0.172CC..Hα-helixtrans-62-38.2-179.400000111.9E597 Y613 G1085 A1091E597-A1087 HydrophobicContact CG-CB 4.31Å; Y613-A1087 HydrophobicContact CE1-CB 4.4Å; G1085-A1087 VanDerWaalsContact C-N 3.32Å; G1085-A1087 PolarHBondContact O-N 3.41Å; A1087-A1091 WeakPolarHBondContact O-CB 3.49Å; A1087-A1091 PolarHBondContact O-N 2.72Å
1088V92Very high90.7Very high6 Ų633.9 Ų33.94%0.03617%0.166CC..Hα-helixtrans-69.5-47.9176.9-174.60000110.1Y613 P615 W619 G1085 V1086 R1090 A1091 Y1092Y613-V1088 HydrophobicContact CD1-CG2 4.04Å; P615-V1088 HydrophobicContact CG-CG2 4.07Å; W619-V1088 HydrophobicContact CB-CG2 4.29Å; W619-V1088 HydrophobicContact CE3-CB 3.72Å; W619-V1088 HydrophobicContact CE3-CG1 3.69Å; W619-V1088 HydrophobicContact CE3-CG2 4.2Å; W619-V1088 HydrophobicContact CZ3-CB 4.13Å; W619-V1088 HydrophobicContact CZ3-CG1 3.94Å; G1085-V1088 WeakPolarHBondContact O-CA 3.36Å; G1085-V1088 WeakPolarHBondContact O-CB 3.4Å; G1085-V1088 PolarHBondContact O-N 2.9Å; V1086-V1088 VanDerWaalsContact C-N 3.29Å; V1086-V1088 PolarHBondContact O-N 3.32Å; V1088-R1090 VanDerWaalsContact C-N 3.29Å; V1088-R1090 PolarHBondContact O-N 3.47Å; V1088-A1091 WeakPolarHBondContact O-CB 3.27Å; V1088-A1091 PolarHBondContact O-N 2.83Å; V1088-A1091 VanDerWaalsContact O-N 3.14Å; V1088-Y1092 HydrophobicContact CG1-CD2 3.75Å; V1088-Y1092 HydrophobicContact CG1-CE2 3.58Å; V1088-Y1092 WeakPolarHBondContact O-CD2 3.33Å; V1088-Y1092 PolarHBondContact O-N 3.48Å; V1088-Y1092 VanDerWaalsContact O-N 3.11Å
1089I92.6Very high90.8Very high0 Ų034.1 Ų34.10%017%0.167CC..Hα-helixtrans-57.3-43.1179.6-65.7169000111.4L314 W619 T1082 G1085 V1086 Y1092 Q1093 A1094 E1095 F1098L314-I1089 HydrophobicContact CD2-CG2 4.32Å; W619-I1089 HydrophobicContact CH2-CD1 3.84Å; W619-I1089 HydrophobicContact CH2-CG1 3.56Å; W619-I1089 HydrophobicContact CZ2-CD1 4.01Å; W619-I1089 HydrophobicContact CZ2-CG1 4.21Å; W619-I1089 HydrophobicContact CZ3-CG1 4.01Å; T1082-I1089 HydrophobicContact CG2-CD1 3.78Å; G1085-I1089 WeakPolarHBondContact O-CG1 3.31Å; G1085-I1089 PolarHBondContact O-N 3.33Å; V1086-I1089 PolarHBondContact O-N 3.03Å; I1089-Y1092 CarbonylContact O-C 3.2Å; I1089-Y1092 PolarHBondContact O-N 3.41Å; I1089-Q1093 PolarHBondContact O-N 3.32Å; I1089-Q1093 VanDerWaalsContact O-N 3.11Å; I1089-A1094 HydrophobicContact CG2-CB 4.18Å; I1089-A1094 PolarHBondContact O-N 3.45Å; I1089-E1095 HydrophobicContact CG2-CG 4.34Å; I1089-F1098 HydrophobicContact CD1-CD1 3.71Å; I1089-F1098 HydrophobicContact CD1-CD2 4.35Å; I1089-F1098 HydrophobicContact CD1-CE1 3.59Å; I1089-F1098 HydrophobicContact CD1-CE2 4.25Å; I1089-F1098 HydrophobicContact CD1-CG 4.1Å; I1089-F1098 HydrophobicContact CD1-CZ 3.89Å; I1089-F1098 HydrophobicContact CG1-CD2 4.4Å; I1089-F1098 HydrophobicContact CG1-CE1 4.2Å; I1089-F1098 HydrophobicContact CG1-CE2 4.06Å; I1089-F1098 HydrophobicContact CG1-CZ 3.96Å; I1089-F1098 HydrophobicContact CG2-CD2 3.93Å; I1089-F1098 HydrophobicContact CG2-CE2 4.27Å; I1089-F1098 HydrophobicContact CG2-CG 4.28Å
1090R89.2Confident90.9Very high26 Ų2642.1 Ų42.110%0.09820%0.198CC..Hα-helixtrans-69.6-38176.7-70.8175.1176.2-179.7-2.1113.2L314 L316 E597 V1086 V1088 Y1092 Q1093 E1095L314-R1090 PolarHBondContact O-NE 3.09Å; L314-R1090 PolarHBondContact O-NH2 2.85Å; L316-R1090 PolarHBondContact O-NH2 2.86Å; L316-R1090 VanDerWaalsContact O-NH2 3.14Å; E597-R1090 VanDerWaalsContact OE1-CD 3.22Å; E597-R1090 WeakPolarHBondContact OE1-CD 3.35Å; E597-R1090 IonicContact OE1-CZ 3.84Å; E597-R1090 IonicContact OE1-NE 2.65Å; E597-R1090 IonicContact OE1-NH1 2.83Å; E597-R1090 PolarHBondContact OE1-NH1 2.73Å; E597-R1090 IonicContact OE2-NH1 2.81Å; E597-R1090 PolarHBondContact OE2-NH1 3.29Å; V1086-R1090 HydrophobicContact CG1-CG 4.33Å; V1086-R1090 WeakPolarHBondContact O-CB 3.21Å; V1086-R1090 WeakPolarHBondContact O-CG 3.47Å; V1086-R1090 PolarHBondContact O-N 2.89Å; V1088-R1090 VanDerWaalsContact C-N 3.29Å; V1088-R1090 PolarHBondContact O-N 3.47Å; R1090-Y1092 PolarHBondContact O-N 3.22Å; R1090-Q1093 PolarHBondContact O-N 3.25Å; R1090-E1095 HydrophobicContact CG-CG 4.19Å; R1090-E1095 WeakPolarHBondContact CG-OE1 3.17Å
1091A89.2Confident91.1Very high7 Ų742 Ų426%0.05820%0.197CC..Hα-helixtrans-57.2-40.9174.700000111L595 A1087 V1088L595-A1091 HydrophobicContact CD2-CB 3.87Å; A1087-A1091 WeakPolarHBondContact O-CB 3.49Å; A1087-A1091 PolarHBondContact O-N 2.72Å; V1088-A1091 WeakPolarHBondContact O-CB 3.27Å; V1088-A1091 PolarHBondContact O-N 2.83Å; V1088-A1091 VanDerWaalsContact O-N 3.14Å
1092Y91.3Very high91.4Very high21 Ų2140.6 Ų40.68%0.08219%0.191CC..THydrogen-bonded Turntrans-84.3-0.5175.9-70.7-74.9000115.1A612 F631 A684 H687 V1088 I1089 R1090 A1094A612-Y1092 HydrophobicContact CB-CE1 4.13Å; F631-Y1092 HydrophobicContact CD1-CG 4.4Å; F631-Y1092 HydrophobicContact CE1-CD2 4.11Å; F631-Y1092 HydrophobicContact CE1-CG 4.01Å; A684-Y1092 WeakPolarHBondContact CA-OH 3.31Å; H687-Y1092 HydrophobicContact CB-CE1 3.79Å; H687-Y1092 AromaticContact CD2-CD1 3.84Å; H687-Y1092 AromaticContact CD2-CE1 3.82Å; H687-Y1092 AromaticContact CE1-CD1 3.5Å; H687-Y1092 VanDerWaalsContact CE1-CD1 3.5Å; H687-Y1092 WeakPolarHBondContact CE1-CD1 3.25Å; H687-Y1092 AromaticContact CE1-CE1 3.98Å; H687-Y1092 AromaticContact CG-CD1 3.76Å; H687-Y1092 AromaticContact CG-CE1 3.44Å; H687-Y1092 VanDerWaalsContact CG-CE1 3.44Å; H687-Y1092 AromaticContact ND1-CD1 3.57Å; H687-Y1092 AromaticContact ND1-CE1 3.59Å; H687-Y1092 AromaticContact NE2-CD1 3.71Å; V1088-Y1092 HydrophobicContact CG1-CD2 3.75Å; V1088-Y1092 HydrophobicContact CG1-CE2 3.58Å; V1088-Y1092 WeakPolarHBondContact O-CD2 3.33Å; V1088-Y1092 PolarHBondContact O-N 3.48Å; V1088-Y1092 VanDerWaalsContact O-N 3.11Å; I1089-Y1092 CarbonylContact O-C 3.2Å; I1089-Y1092 PolarHBondContact O-N 3.41Å; R1090-Y1092 PolarHBondContact O-N 3.22Å; Y1092-A1094 VanDerWaalsContact C-N 3.28Å; Y1092-A1094 PolarHBondContact O-N 3.09Å
1093Q88.5Confident91.5Very high119 Ų11941.8 Ų41.856%0.55620%0.196SC*.THydrogen-bonded Turntrans53.541-176.5-55.2174.810.800113.4I1089 R1090 E1095I1089-Q1093 PolarHBondContact O-N 3.32Å; I1089-Q1093 VanDerWaalsContact O-N 3.11Å; R1090-Q1093 PolarHBondContact O-N 3.25Å; Q1093-E1095 WeakPolarHBondContact CA-OE2 3.49Å
1094A91.9Very high91.7Very high9 Ų947.2 Ų47.27%0.07422%0.215CC..  trans-99.69.5-174.100000114.3F631 I1089 Y1092 E1096 R1097 F1098F631-A1094 HydrophobicContact CE1-CB 4.05Å; F631-A1094 HydrophobicContact CZ-CB 4.3Å; I1089-A1094 HydrophobicContact CG2-CB 4.18Å; I1089-A1094 PolarHBondContact O-N 3.45Å; Y1092-A1094 VanDerWaalsContact C-N 3.28Å; Y1092-A1094 PolarHBondContact O-N 3.09Å; A1094-E1096 PolarHBondContact O-N 2.98Å; A1094-R1097 WeakPolarHBondContact O-CB 3.34Å; A1094-R1097 PolarHBondContact O-N 3.31Å; A1094-R1097 VanDerWaalsContact O-N 3.16Å; A1094-F1098 HydrophobicContact CB-CD2 4.16Å; A1094-F1098 HydrophobicContact CB-CE2 4.15Å; A1094-F1098 WeakPolarHBondContact O-CD2 3.48Å; A1094-F1098 PolarHBondContact O-N 2.89Å
1095E91.9Very high92.1Very high57 Ų5746 Ų4627%0.26620%0.201SC..Hα-helixtrans-56.2-50-170.7-5992.5147.200113.1L314 I1089 R1090 Q1093 R1097 F1098 I1099L314-E1095 HydrophobicContact CD1-CB 4.17Å; I1089-E1095 HydrophobicContact CG2-CG 4.34Å; R1090-E1095 HydrophobicContact CG-CG 4.19Å; R1090-E1095 WeakPolarHBondContact CG-OE1 3.17Å; Q1093-E1095 WeakPolarHBondContact CA-OE2 3.49Å; E1095-R1097 VanDerWaalsContact C-N 3.27Å; E1095-R1097 PolarHBondContact O-N 2.81Å; E1095-F1098 PolarHBondContact O-N 3.46Å; E1095-I1099 WeakPolarHBondContact O-CG1 3.43Å; E1095-I1099 PolarHBondContact O-N 3.41Å
1096E93Very high92.3Very high103 Ų10346 Ų4648%0.48120%0.201SC..Hα-helixtrans-59.4-36.6180-77.9-66.8153.200112.7A1094 I1099 R1100A1094-E1096 PolarHBondContact O-N 2.98Å; E1096-I1099 PolarHBondContact O-N 3.48Å; E1096-R1100 WeakPolarHBondContact O-CG 3.13Å; E1096-R1100 PolarHBondContact O-N 3.03Å
1097R93.5Very high92.5Very high116 Ų11646.4 Ų46.444%0.43820%0.203SC..Hα-helixtrans-64.8-44.4175.5177.7-171.4167.2-164.24.4110.6F631 A1094 E1095 I1099 R1100 E1101F631-R1097 VanDerWaalsContact C-NH1 3.35Å; F631-R1097 VanDerWaalsContact O-CZ 3.26Å; F631-R1097 PolarHBondContact O-NH1 3.33Å; F631-R1097 PolarHBondContact O-NH2 2.81Å; A1094-R1097 WeakPolarHBondContact O-CB 3.34Å; A1094-R1097 PolarHBondContact O-N 3.31Å; A1094-R1097 VanDerWaalsContact O-N 3.16Å; E1095-R1097 VanDerWaalsContact C-N 3.27Å; E1095-R1097 PolarHBondContact O-N 2.81Å; R1097-I1099 VanDerWaalsContact C-N 3.34Å; R1097-R1100 PolarHBondContact O-N 3.33Å; R1097-E1101 WeakPolarHBondContact O-CB 3.31Å; R1097-E1101 PolarHBondContact O-N 3.38Å
1098F94.7Very high92.7Very high4 Ų447.6 Ų47.62%0.01820%0.204CC..Hα-helixtrans-66.8-35.5179.1-85.1-103.8000112.1F310 L314 W619 F631 H1078 T1082 I1089 A1094 E1095 S1102F310-F1098 HydrophobicContact CE1-CB 4.26Å; F310-F1098 WeakPolarHBondContact CE1-O 3.3Å; F310-F1098 HydrophobicContact CZ-CB 4.27Å; F310-F1098 WeakPolarHBondContact CZ-O 3.39Å; L314-F1098 HydrophobicContact CD1-CB 4.45Å; W619-F1098 HydrophobicContact CH2-CE1 4.15Å; W619-F1098 AromaticContact CH2-CZ 3.81Å; W619-F1098 HydrophobicContact CH2-CZ 3.81Å; W619-F1098 HydrophobicContact CZ2-CE1 4.39Å; W619-F1098 HydrophobicContact CZ2-CZ 4.47Å; F631-F1098 HydrophobicContact CE2-CE2 4.09Å; F631-F1098 AromaticContact CE2-CZ 3.94Å; F631-F1098 HydrophobicContact CE2-CZ 3.94Å; F631-F1098 AromaticContact CZ-CE2 3.78Å; F631-F1098 HydrophobicContact CZ-CE2 3.78Å; F631-F1098 HydrophobicContact CZ-CZ 4.05Å; H1078-F1098 AromaticContact CE1-CD1 3.47Å; H1078-F1098 VanDerWaalsContact CE1-CD1 3.47Å; H1078-F1098 WeakPolarHBondContact CE1-CD1 3.33Å; H1078-F1098 AromaticContact CE1-CE1 3.88Å; H1078-F1098 AromaticContact NE2-CD1 3.9Å; H1078-F1098 PolarHBondContact NE2-O 3.24Å; T1082-F1098 HydrophobicContact CG2-CD1 4.28Å; T1082-F1098 WeakPolarHBondContact OG1-CD1 3.42Å; I1089-F1098 HydrophobicContact CD1-CD1 3.71Å; I1089-F1098 HydrophobicContact CD1-CD2 4.35Å; I1089-F1098 HydrophobicContact CD1-CE1 3.59Å; I1089-F1098 HydrophobicContact CD1-CE2 4.25Å; I1089-F1098 HydrophobicContact CD1-CG 4.1Å; I1089-F1098 HydrophobicContact CD1-CZ 3.89Å; I1089-F1098 HydrophobicContact CG1-CD2 4.4Å; I1089-F1098 HydrophobicContact CG1-CE1 4.2Å; I1089-F1098 HydrophobicContact CG1-CE2 4.06Å; I1089-F1098 HydrophobicContact CG1-CZ 3.96Å; I1089-F1098 HydrophobicContact CG2-CD2 3.93Å; I1089-F1098 HydrophobicContact CG2-CE2 4.27Å; I1089-F1098 HydrophobicContact CG2-CG 4.28Å; A1094-F1098 HydrophobicContact CB-CD2 4.16Å; A1094-F1098 HydrophobicContact CB-CE2 4.15Å; A1094-F1098 WeakPolarHBondContact O-CD2 3.48Å; A1094-F1098 PolarHBondContact O-N 2.89Å; E1095-F1098 PolarHBondContact O-N 3.46Å; F1098-S1102 WeakPolarHBondContact O-CB 3.02Å; F1098-S1102 PolarHBondContact O-N 3.19Å
1099I94.7Very high92.7Very high11 Ų1147.3 Ų47.36%0.05620%0.202CC..Hα-helixtrans-62.3-52.3173.9-66.8165.9000110.2F310 T311 L314 E1095 E1096 R1097 E1101 S1102 E1103F310-I1099 HydrophobicContact CD1-CB 4.48Å; F310-I1099 HydrophobicContact CD1-CG1 3.95Å; F310-I1099 HydrophobicContact CE1-CB 4.47Å; F310-I1099 HydrophobicContact CE1-CG1 4.02Å; T311-I1099 HydrophobicContact CG2-CD1 4.06Å; L314-I1099 HydrophobicContact CD1-CD1 4.15Å; L314-I1099 HydrophobicContact CD1-CG1 3.69Å; E1095-I1099 WeakPolarHBondContact O-CG1 3.43Å; E1095-I1099 PolarHBondContact O-N 3.41Å; E1096-I1099 PolarHBondContact O-N 3.48Å; R1097-I1099 VanDerWaalsContact C-N 3.34Å; I1099-E1101 VanDerWaalsContact C-N 3.31Å; I1099-E1101 PolarHBondContact O-N 2.97Å; I1099-S1102 VanDerWaalsContact O-CB 3.31Å; I1099-S1102 WeakPolarHBondContact O-CB 3.46Å; I1099-S1102 PolarHBondContact O-N 3.47Å; I1099-S1102 VanDerWaalsContact O-N 3.1Å; I1099-E1103 WeakPolarHBondContact O-CG 3.38Å; I1099-E1103 PolarHBondContact O-N 3.06Å
1100R94.3Very high92.7Very high170 Ų17047.3 Ų47.364%0.64220%0.202SC*.Hα-helixtrans-61.8-38.3179.2-70.1179.7-169176.23113E1096 R1097 S1102 E1103 R1104E1096-R1100 WeakPolarHBondContact O-CG 3.13Å; E1096-R1100 PolarHBondContact O-N 3.03Å; R1097-R1100 PolarHBondContact O-N 3.33Å; R1100-S1102 VanDerWaalsContact C-N 3.33Å; R1100-E1103 PolarHBondContact O-N 2.85Å; R1100-R1104 WeakPolarHBondContact O-CB 3.13Å; R1100-R1104 PolarHBondContact O-N 3.38Å
1101E93.5Very high92.8Very high60 Ų6046.7 Ų46.728%0.2820%0.201SC..Hα-helixtrans-64.3-39.7175.3-178.361.1-162.200111.5R1097 I1099 R1104 R1105R1097-E1101 WeakPolarHBondContact O-CB 3.31Å; R1097-E1101 PolarHBondContact O-N 3.38Å; I1099-E1101 VanDerWaalsContact C-N 3.31Å; I1099-E1101 PolarHBondContact O-N 2.97Å; E1101-R1104 PolarHBondContact O-N 3.43Å; E1101-R1105 WeakPolarHBondContact O-CG 3.46Å; E1101-R1105 PolarHBondContact O-N 3.37Å; E1101-R1105 IonicContact OE1-CZ 2.78Å; E1101-R1105 IonicContact OE1-NE 3.58Å; E1101-R1105 PolarHBondContact OE1-NE 3.17Å; E1101-R1105 IonicContact OE1-NH2 3.54Å; E1101-R1105 PolarHBondContact OE1-NH2 2.86Å; E1101-R1105 VanDerWaalsContact OE1-NH2 3.12Å
1102S94.3Very high93Very high2 Ų246.4 Ų46.41%0.01420%0.198CC..Hα-helixtrans-63.5-45174.6-174.30000112F310 F1098 I1099 R1100 R1105 L1106F310-S1102 WeakPolarHBondContact CD2-OG 3.4Å; F310-S1102 WeakPolarHBondContact CE2-OG 3.47Å; F310-S1102 WeakPolarHBondContact CG-OG 3.27Å; F1098-S1102 WeakPolarHBondContact O-CB 3.02Å; F1098-S1102 PolarHBondContact O-N 3.19Å; I1099-S1102 VanDerWaalsContact O-CB 3.31Å; I1099-S1102 WeakPolarHBondContact O-CB 3.46Å; I1099-S1102 PolarHBondContact O-N 3.47Å; I1099-S1102 VanDerWaalsContact O-N 3.1Å; R1100-S1102 VanDerWaalsContact C-N 3.33Å; S1102-R1105 PolarHBondContact O-N 3.03Å; S1102-L1106 VanDerWaalsContact O-CB 3.3Å; S1102-L1106 WeakPolarHBondContact O-CB 3.34Å; S1102-L1106 PolarHBondContact O-N 3.3Å
1103E95Very high93.1Very high25 Ų2547.2 Ų47.212%0.11720%0.201CC..Hα-helixtrans-62.8-42.1176.8-74.8-175.9159.600112.4S307 I1099 R1100 L1106 D1107S307-E1103 WeakPolarHBondContact CB-OE1 3.42Å; S307-E1103 PolarHBondContact OG-OE1 3.49Å; I1099-E1103 WeakPolarHBondContact O-CG 3.38Å; I1099-E1103 PolarHBondContact O-N 3.06Å; R1100-E1103 PolarHBondContact O-N 2.85Å; E1103-L1106 WeakPolarHBondContact O-CB 3.29Å; E1103-L1106 PolarHBondContact O-N 3.23Å; E1103-D1107 PolarHBondContact O-N 3.41Å
1104R93.6Very high93.3Very high138 Ų13842.2 Ų42.252%0.52118%0.177SC..Hα-helixtrans-59.8-53.5173.5-179.8-171.7170.8168.18.3111.6R1100 E1101 L1106 D1107 E1108R1100-R1104 WeakPolarHBondContact O-CB 3.13Å; R1100-R1104 PolarHBondContact O-N 3.38Å; E1101-R1104 PolarHBondContact O-N 3.43Å; R1104-L1106 PolarHBondContact O-N 3.42Å; R1104-D1107 PolarHBondContact O-N 3.14Å; R1104-D1107 VanDerWaalsContact O-N 3.08Å; R1104-E1108 IonicContact CZ-OE1 3.3Å; R1104-E1108 IonicContact NE-OE1 3.83Å; R1104-E1108 PolarHBondContact NE-OE1 3.28Å; R1104-E1108 IonicContact NH2-OE1 3.35Å; R1104-E1108 WeakPolarHBondContact O-CG 3.31Å; R1104-E1108 PolarHBondContact O-N 3.19Å
1105R93.6Very high93.3Very high59 Ų5942 Ų4222%0.22318%0.175CC..Hα-helixtrans-59.8-33.1178.8-70.1178.5-173.9-149.31112P1074 V1075 E1101 S1102 N1109P1074-R1105 PolarHBondContact O-NH1 2.79Å; V1075-R1105 HydrophobicContact CG2-CB 3.93Å; V1075-R1105 WeakPolarHBondContact CG2-O 3.4Å; E1101-R1105 WeakPolarHBondContact O-CG 3.46Å; E1101-R1105 PolarHBondContact O-N 3.37Å; E1101-R1105 IonicContact OE1-CZ 2.78Å; E1101-R1105 IonicContact OE1-NE 3.58Å; E1101-R1105 PolarHBondContact OE1-NE 3.17Å; E1101-R1105 IonicContact OE1-NH2 3.54Å; E1101-R1105 PolarHBondContact OE1-NH2 2.86Å; E1101-R1105 VanDerWaalsContact OE1-NH2 3.12Å; S1102-R1105 PolarHBondContact O-N 3.03Å; R1105-N1109 PolarHBondContact O-N 2.79Å; R1105-N1109 VanDerWaalsContact O-N 3.07Å
1106L93.4Very high93.3Very high1 Ų139.9 Ų39.91%0.00517%0.165CC..Hα-helixtrans-67-46.3174.5-179.859.1000111.7T303 T306 S1102 E1103 R1104 E1108 N1109 Q1110T303-L1106 HydrophobicContact CG2-CD2 3.99Å; T306-L1106 HydrophobicContact CG2-CD1 4.12Å; T306-L1106 HydrophobicContact CG2-CD2 3.56Å; T306-L1106 HydrophobicContact CG2-CG 4.38Å; S1102-L1106 VanDerWaalsContact O-CB 3.3Å; S1102-L1106 WeakPolarHBondContact O-CB 3.34Å; S1102-L1106 PolarHBondContact O-N 3.3Å; E1103-L1106 WeakPolarHBondContact O-CB 3.29Å; E1103-L1106 PolarHBondContact O-N 3.23Å; R1104-L1106 PolarHBondContact O-N 3.42Å; L1106-E1108 VanDerWaalsContact C-N 3.34Å; L1106-E1108 PolarHBondContact O-N 3.27Å; L1106-N1109 PolarHBondContact O-N 3.34Å; L1106-N1109 VanDerWaalsContact O-N 3.12Å; L1106-Q1110 HydrophobicContact CD1-CG 4.49Å; L1106-Q1110 VanDerWaalsContact O-CG 3.29Å; L1106-Q1110 WeakPolarHBondContact O-CG 2.9Å; L1106-Q1110 PolarHBondContact O-N 3.47Å
1107D93.6Very high93.2Very high13 Ų1335.7 Ų35.77%0.0715%0.147CC..Hα-helixtrans-61.3-42.5176.1-73.3-23.1000111.3L162 S163 E1103 R1104 N1109 Q1110 M1111L162-D1107 HydrophobicContact CD2-CB 4.28Å; S163-D1107 WeakPolarHBondContact CB-OD1 3.09Å; S163-D1107 WeakPolarHBondContact CB-OD2 3.49Å; S163-D1107 PolarHBondContact N-OD1 3.03Å; S163-D1107 PolarHBondContact N-OD2 3.35Å; S163-D1107 VanDerWaalsContact N-OD2 3.16Å; S163-D1107 PolarHBondContact OG-OD2 3.32Å; E1103-D1107 PolarHBondContact O-N 3.41Å; R1104-D1107 PolarHBondContact O-N 3.14Å; R1104-D1107 VanDerWaalsContact O-N 3.08Å; D1107-N1109 PolarHBondContact O-N 3.03Å; D1107-Q1110 PolarHBondContact O-N 3.25Å; D1107-Q1110 VanDerWaalsContact O-N 3.09Å; D1107-M1111 PolarHBondContact O-N 2.89Å
1108E92.1Very high93.2Very high52 Ų5230.1 Ų30.124%0.24313%0.126CC..Hα-helixtrans-59.6-33.8173.8-67.8177.6-178.100112.3Y151 R1104 L1106 P1112Y151-E1108 WeakPolarHBondContact OH-CB 3.4Å; Y151-E1108 VanDerWaalsContact OH-CG 3.23Å; Y151-E1108 WeakPolarHBondContact OH-CG 3.36Å; R1104-E1108 IonicContact CZ-OE1 3.3Å; R1104-E1108 IonicContact NE-OE1 3.83Å; R1104-E1108 PolarHBondContact NE-OE1 3.28Å; R1104-E1108 IonicContact NH2-OE1 3.35Å; R1104-E1108 WeakPolarHBondContact O-CG 3.31Å; R1104-E1108 PolarHBondContact O-N 3.19Å; L1106-E1108 VanDerWaalsContact C-N 3.34Å; L1106-E1108 PolarHBondContact O-N 3.27Å; E1108-P1112 WeakPolarHBondContact O-CD 3.45Å
1109N93.1Very high93Very high0 Ų030 Ų300%013%0.125CC..Hα-helixtrans-78.8-29.7174.1-177.7-115.1000113.8R302 E1068 T1071 R1072 V1075 R1105 L1106 D1107 M1111 P1112 Y1113R302-N1109 PolarHBondContact NH2-OD1 3.41Å; E1068-N1109 PolarHBondContact O-ND2 2.89Å; T1071-N1109 PolarHBondContact OG1-ND2 3.06Å; R1072-N1109 WeakPolarHBondContact CA-ND2 3.43Å; R1072-N1109 WeakPolarHBondContact CB-ND2 3.29Å; R1072-N1109 PolarHBondContact N-ND2 3.23Å; R1072-N1109 VanDerWaalsContact N-ND2 3.14Å; V1075-N1109 HydrophobicContact CG2-CB 4.28Å; R1105-N1109 PolarHBondContact O-N 2.79Å; R1105-N1109 VanDerWaalsContact O-N 3.07Å; L1106-N1109 PolarHBondContact O-N 3.34Å; L1106-N1109 VanDerWaalsContact O-N 3.12Å; D1107-N1109 PolarHBondContact O-N 3.03Å; N1109-M1111 VanDerWaalsContact C-N 3.31Å; N1109-P1112 WeakPolarHBondContact O-CD 3.36Å; N1109-P1112 WeakPolarHBondContact O-CG 3.36Å; N1109-Y1113 WeakPolarHBondContact O-CB 3.42Å; N1109-Y1113 PolarHBondContact O-N 3.49Å
1110Q92.2Very high92.8Very high1 Ų133.2 Ų33.21%0.00514%0.14CC..Hα-helixtrans-69.3-29.9177.9-71.1-69.9-3.800112.2L157 M299 T303 L1106 D1107 Y1113 Y1114L157-Q1110 HydrophobicContact CD1-CB 4.35Å; L157-Q1110 HydrophobicContact CD2-CB 3.97Å; M299-Q1110 HydrophobicContact CE-CB 4.15Å; M299-Q1110 VanDerWaalsContact CE-OE1 3.28Å; T303-Q1110 PolarHBondContact OG1-NE2 2.77Å; L1106-Q1110 HydrophobicContact CD1-CG 4.49Å; L1106-Q1110 VanDerWaalsContact O-CG 3.29Å; L1106-Q1110 WeakPolarHBondContact O-CG 2.9Å; L1106-Q1110 PolarHBondContact O-N 3.47Å; D1107-Q1110 PolarHBondContact O-N 3.25Å; D1107-Q1110 VanDerWaalsContact O-N 3.09Å; Q1110-Y1113 PolarHBondContact O-N 3.35Å; Q1110-Y1114 WeakPolarHBondContact O-CB 3.5Å; Q1110-Y1114 PolarHBondContact O-N 3.04Å
1111M92.3Very high92.7Very high13 Ų1326.9 Ų26.96%0.06412%0.116CC..Hα-helixtrans-55.5-61.2177-67.5175.8-16600113.1L154 L157 D1107 N1109 Y1113 Y1114 E1115L154-M1111 HydrophobicContact CD1-CB 4.33Å; L157-M1111 HydrophobicContact CB-CE 4.3Å; L157-M1111 HydrophobicContact CB-CG 3.89Å; D1107-M1111 PolarHBondContact O-N 2.89Å; N1109-M1111 VanDerWaalsContact C-N 3.31Å; M1111-Y1113 VanDerWaalsContact C-N 3.32Å; M1111-Y1113 PolarHBondContact O-N 3.35Å; M1111-Y1114 PolarHBondContact O-N 3.32Å; M1111-E1115 PolarHBondContact O-N 3.47Å; M1111-E1115 VanDerWaalsContact O-N 3.14Å
1112P92.5Very high92.7Very high0 Ų024.5 Ų24.50%010%0.104CC..Hα-helixtrans-67.1-32.2178.927.4-35.5000112.5L154 I1067 E1068 T1071 E1108 N1109 E1115 N1116L154-P1112 HydrophobicContact CD1-CB 3.98Å; L154-P1112 HydrophobicContact CD1-CG 4.28Å; L154-P1112 HydrophobicContact CD2-CB 4.48Å; I1067-P1112 HydrophobicContact CB-CB 4.27Å; I1067-P1112 HydrophobicContact CG2-CB 4.04Å; I1067-P1112 HydrophobicContact CG2-CG 4.24Å; E1068-P1112 HydrophobicContact CB-CB 4.09Å; E1068-P1112 HydrophobicContact CB-CG 4.26Å; T1071-P1112 HydrophobicContact CG2-CG 4.49Å; E1108-P1112 WeakPolarHBondContact O-CD 3.45Å; N1109-P1112 WeakPolarHBondContact O-CD 3.36Å; N1109-P1112 WeakPolarHBondContact O-CG 3.36Å; P1112-E1115 PolarHBondContact O-N 3.3Å; P1112-N1116 VanDerWaalsContact O-CB 3.26Å; P1112-N1116 WeakPolarHBondContact O-CB 3.15Å; P1112-N1116 PolarHBondContact O-N 3.27Å
1113Y92.4Very high92.5Very high38 Ų3825.3 Ų25.315%0.14911%0.108CC..Hα-helixtrans-59.8-47.2174.7175.6-96.9000111.2V295 M299 N1109 Q1110 M1111 N1116 V1117V295-Y1113 HydrophobicContact CG1-CE1 4.28Å; M299-Y1113 HydrophobicContact CE-CD1 4.23Å; M299-Y1113 HydrophobicContact CG-CD1 3.88Å; M299-Y1113 HydrophobicContact CG-CE1 3.53Å; M299-Y1113 HydrophobicContact SD-CD1 4.05Å; M299-Y1113 HydrophobicContact SD-CE1 4.06Å; N1109-Y1113 WeakPolarHBondContact O-CB 3.42Å; N1109-Y1113 PolarHBondContact O-N 3.49Å; Q1110-Y1113 PolarHBondContact O-N 3.35Å; M1111-Y1113 VanDerWaalsContact C-N 3.32Å; M1111-Y1113 PolarHBondContact O-N 3.35Å; Y1113-N1116 PolarHBondContact O-N 2.97Å; Y1113-V1117 HydrophobicContact CE1-CG2 4.09Å; Y1113-V1117 HydrophobicContact CE2-CG2 4.48Å; Y1113-V1117 WeakPolarHBondContact O-CG2 3.42Å; Y1113-V1117 PolarHBondContact O-N 2.84Å; Y1113-V1117 VanDerWaalsContact O-N 3.09Å
1114Y93.2Very high92.3Very high14 Ų1424.9 Ų24.96%0.05511%0.109CC..Hα-helixtrans-60.8-49.8177.8-179.3-120.7000111.9E123 W136 K296 M299 Q1110 M1111 N1116 V1117 I1118E123-Y1114 PolarHBondContact OE1-OH 2.95Å; E123-Y1114 PolarHBondContact OE2-OH 3.03Å; W136-Y1114 HydrophobicContact CH2-CE1 4.47Å; K296-Y1114 HydrophobicContact CD-CE2 4.42Å; K296-Y1114 VanDerWaalsContact CE-CE2 3.46Å; K296-Y1114 WeakPolarHBondContact CE-OH 3.44Å; K296-Y1114 HydrophobicContact CG-CE2 4.07Å; K296-Y1114 PolarHBondContact NZ-OH 3.38Å; M299-Y1114 HydrophobicContact CE-CD2 4.16Å; M299-Y1114 HydrophobicContact CE-CG 4.23Å; M299-Y1114 HydrophobicContact SD-CD2 3.79Å; M299-Y1114 HydrophobicContact SD-CG 4.43Å; Q1110-Y1114 WeakPolarHBondContact O-CB 3.5Å; Q1110-Y1114 PolarHBondContact O-N 3.04Å; M1111-Y1114 PolarHBondContact O-N 3.32Å; Y1114-N1116 VanDerWaalsContact C-N 3.28Å; Y1114-N1116 PolarHBondContact O-N 2.99Å; Y1114-V1117 WeakPolarHBondContact O-CB 3.49Å; Y1114-V1117 PolarHBondContact O-N 3.37Å; Y1114-I1118 HydrophobicContact CD2-CG1 4.27Å; Y1114-I1118 HydrophobicContact CE1-CG1 4.1Å; Y1114-I1118 HydrophobicContact CE2-CD1 3.87Å; Y1114-I1118 HydrophobicContact CE2-CG1 3.8Å; Y1114-I1118 WeakPolarHBondContact O-CG1 3.4Å; Y1114-I1118 PolarHBondContact O-N 2.91Å
1115E93Very high92.2Very high4 Ų418.5 Ų18.52%0.0199%0.086CC..Hα-helixtrans-61.6-37.1179.5-73.7-164.3-155.900112.5F137 K140 L154 W155 L1064 M1111 P1112 I1118 S1119F137-E1115 HydrophobicContact CE2-CB 4.26Å; K140-E1115 VanDerWaalsContact CE-OE2 3.25Å; K140-E1115 WeakPolarHBondContact CE-OE2 3.41Å; K140-E1115 IonicContact NZ-OE1 3.88Å; K140-E1115 PolarHBondContact NZ-OE1 3.24Å; K140-E1115 IonicContact NZ-OE2 2.77Å; K140-E1115 PolarHBondContact NZ-OE2 2.85Å; L154-E1115 WeakPolarHBondContact CA-OE1 3.33Å; W155-E1115 HydrophobicContact CE3-CG 3.97Å; W155-E1115 HydrophobicContact CZ3-CG 4.33Å; W155-E1115 PolarHBondContact N-OE1 3.29Å; L1064-E1115 HydrophobicContact CD1-CB 4.26Å; L1064-E1115 HydrophobicContact CD2-CB 3.93Å; M1111-E1115 PolarHBondContact O-N 3.47Å; M1111-E1115 VanDerWaalsContact O-N 3.14Å; P1112-E1115 PolarHBondContact O-N 3.3Å; E1115-I1118 PolarHBondContact O-N 2.87Å; E1115-S1119 WeakPolarHBondContact O-CB 3.38Å; E1115-S1119 PolarHBondContact O-N 3.47Å
1116N91.2Very high92.1Very high13 Ų1317.5 Ų17.57%0.078%0.082CC..Hα-helixtrans-63.7-42.6175.6-171.630.8000111.9L1064 E1068 P1112 Y1113 Y1114 I1118 S1119 H1120L1064-N1116 HydrophobicContact CB-CB 4.4Å; E1068-N1116 PolarHBondContact OE2-ND2 2.89Å; P1112-N1116 VanDerWaalsContact O-CB 3.26Å; P1112-N1116 WeakPolarHBondContact O-CB 3.15Å; P1112-N1116 PolarHBondContact O-N 3.27Å; Y1113-N1116 PolarHBondContact O-N 2.97Å; Y1114-N1116 VanDerWaalsContact C-N 3.28Å; Y1114-N1116 PolarHBondContact O-N 2.99Å; N1116-I1118 PolarHBondContact O-N 2.9Å; N1116-S1119 WeakPolarHBondContact O-CB 3.48Å; N1116-S1119 PolarHBondContact O-N 3.17Å; N1116-H1120 PolarHBondContact O-N 3.42Å
1117V91.2Very high91.9Very high15 Ų1517.6 Ų17.69%0.0918%0.082CC..Hα-helixtrans-61-44.5174.2170.50000111.2V295 Y1113 Y1114 S1119 H1120 R1121V295-V1117 HydrophobicContact CB-CG1 4.15Å; V295-V1117 HydrophobicContact CG1-CB 4.36Å; V295-V1117 HydrophobicContact CG1-CG1 3.74Å; V295-V1117 HydrophobicContact CG1-CG2 3.84Å; V295-V1117 HydrophobicContact CG2-CG1 4.39Å; Y1113-V1117 HydrophobicContact CE1-CG2 4.09Å; Y1113-V1117 HydrophobicContact CE2-CG2 4.48Å; Y1113-V1117 WeakPolarHBondContact O-CG2 3.42Å; Y1113-V1117 PolarHBondContact O-N 2.84Å; Y1113-V1117 VanDerWaalsContact O-N 3.09Å; Y1114-V1117 WeakPolarHBondContact O-CB 3.49Å; Y1114-V1117 PolarHBondContact O-N 3.37Å; V1117-S1119 VanDerWaalsContact C-N 3.34Å; V1117-H1120 WeakPolarHBondContact O-CB 3.46Å; V1117-H1120 PolarHBondContact O-N 3.44Å; V1117-R1121 PolarHBondContact O-N 3.4Å
1118I92.8Very high91.7Very high0 Ų018.9 Ų18.90%09%0.088CC..Hα-helixtrans-65.2-39177.8-65.5-59000111.2F134 W136 F137 N292 Y1114 E1115 N1116 H1120 R1121 W1122F134-I1118 HydrophobicContact CD1-CD1 4.14Å; F134-I1118 HydrophobicContact CD1-CG2 4.26Å; F134-I1118 HydrophobicContact CE1-CD1 3.94Å; W136-I1118 HydrophobicContact CH2-CB 4.32Å; W136-I1118 HydrophobicContact CH2-CG1 4.04Å; W136-I1118 HydrophobicContact CH2-CG2 3.63Å; W136-I1118 HydrophobicContact CZ2-CB 4.45Å; W136-I1118 HydrophobicContact CZ2-CD1 4.13Å; W136-I1118 HydrophobicContact CZ2-CG1 4.1Å; W136-I1118 HydrophobicContact CZ2-CG2 3.56Å; W136-I1118 HydrophobicContact CZ3-CG2 4.43Å; F137-I1118 HydrophobicContact CB-CG2 3.92Å; F137-I1118 HydrophobicContact CD2-CB 4.34Å; F137-I1118 HydrophobicContact CD2-CG2 3.58Å; F137-I1118 HydrophobicContact CE2-CG2 4.24Å; F137-I1118 HydrophobicContact CG-CG2 3.75Å; N292-I1118 VanDerWaalsContact OD1-CD1 3.25Å; N292-I1118 WeakPolarHBondContact OD1-CD1 3.38Å; Y1114-I1118 HydrophobicContact CD2-CG1 4.27Å; Y1114-I1118 HydrophobicContact CE1-CG1 4.1Å; Y1114-I1118 HydrophobicContact CE2-CD1 3.87Å; Y1114-I1118 HydrophobicContact CE2-CG1 3.8Å; Y1114-I1118 WeakPolarHBondContact O-CG1 3.4Å; Y1114-I1118 PolarHBondContact O-N 2.91Å; E1115-I1118 PolarHBondContact O-N 2.87Å; N1116-I1118 PolarHBondContact O-N 2.9Å; I1118-H1120 VanDerWaalsContact C-N 3.28Å; I1118-H1120 PolarHBondContact O-N 3.14Å; I1118-R1121 PolarHBondContact O-N 3.45Å; I1118-W1122 WeakPolarHBondContact O-CB 3.49Å; I1118-W1122 PolarHBondContact O-N 3.46Å
1119S90.9Very high91.6Very high0 Ų018.5 Ų18.50%09%0.089CC..Hα-helixtrans-56.2-42.8174.9-1730000112Y1057 E1115 N1116 V1117 R1121 W1122 L1123Y1057-S1119 WeakPolarHBondContact CD2-OG 3.29Å; Y1057-S1119 WeakPolarHBondContact CE2-OG 3.34Å; E1115-S1119 WeakPolarHBondContact O-CB 3.38Å; E1115-S1119 PolarHBondContact O-N 3.47Å; N1116-S1119 WeakPolarHBondContact O-CB 3.48Å; N1116-S1119 PolarHBondContact O-N 3.17Å; V1117-S1119 VanDerWaalsContact C-N 3.34Å; S1119-R1121 PolarHBondContact O-N 3.16Å; S1119-W1122 WeakPolarHBondContact O-CB 3.46Å; S1119-W1122 PolarHBondContact O-N 2.92Å; S1119-L1123 PolarHBondContact O-N 3.33Å
1120H90Very high91.5Very high79 Ų7919.7 Ų19.737%0.36610%0.095SC..Hα-helixtrans-63.2-39.8174.8-69.4-177.4000112.7Y1057 N1116 V1117 I1118 A1124Y1057-H1120 AromaticContact CE2-CD2 3.94Å; Y1057-H1120 AromaticContact CZ-CD2 3.85Å; Y1057-H1120 PolarHBondContact OH-CD2 3.11Å; Y1057-H1120 PolarHBondContact OH-NE2 2.86Å; Y1057-H1120 VanDerWaalsContact OH-NE2 3.13Å; N1116-H1120 PolarHBondContact O-N 3.42Å; V1117-H1120 WeakPolarHBondContact O-CB 3.46Å; V1117-H1120 PolarHBondContact O-N 3.44Å; I1118-H1120 VanDerWaalsContact C-N 3.28Å; I1118-H1120 PolarHBondContact O-N 3.14Å; H1120-A1124 WeakPolarHBondContact O-CB 3.49Å; H1120-A1124 PolarHBondContact O-N 2.9Å
1121R92.2Very high91.4Very high38 Ų3819.9 Ų19.914%0.14310%0.097CC..Hα-helixtrans-69.2-40.7176.9-65.1-55.692.4-17411.2111.9F134 N288 F291 N292 V1117 I1118 S1119 L1123 A1124 V1125F134-R1121 HydrophobicContact CD1-CB 3.74Å; F134-R1121 HydrophobicContact CD2-CB 4.07Å; F134-R1121 HydrophobicContact CE1-CB 3.58Å; F134-R1121 HydrophobicContact CE1-CG 3.93Å; F134-R1121 HydrophobicContact CE2-CB 3.96Å; F134-R1121 HydrophobicContact CG-CB 3.98Å; F134-R1121 HydrophobicContact CZ-CB 3.71Å; F134-R1121 HydrophobicContact CZ-CG 3.95Å; N288-R1121 WeakPolarHBondContact OD1-CD 3.24Å; N288-R1121 PolarHBondContact OD1-NH1 3.45Å; F291-R1121 VanDerWaalsContact CD1-CZ 3.45Å; N292-R1121 HydrophobicContact CB-CG 4.28Å; V1117-R1121 PolarHBondContact O-N 3.4Å; I1118-R1121 PolarHBondContact O-N 3.45Å; S1119-R1121 PolarHBondContact O-N 3.16Å; R1121-L1123 VanDerWaalsContact C-N 3.33Å; R1121-L1123 PolarHBondContact O-N 3.42Å; R1121-A1124 PolarHBondContact O-N 2.89Å; R1121-V1125 WeakPolarHBondContact O-CG2 3.17Å; R1121-V1125 PolarHBondContact O-N 3.15Å
1122W93.9Very high91.3Very high9 Ų920 Ų203%0.03410%0.098CC..Hα-helixtrans-54.5-52.4173.7177.993.5000109.7F134 F137 T138 T141 V1053 I1118 S1119 R1126F134-W1122 HydrophobicContact CB-CB 4.35Å; F137-W1122 HydrophobicContact CB-CB 4.41Å; F137-W1122 HydrophobicContact CB-CG 4.37Å; F137-W1122 HydrophobicContact CD1-CB 3.97Å; F137-W1122 HydrophobicContact CD1-CG 4.02Å; T138-W1122 HydrophobicContact CG2-CZ2 4.26Å; T138-W1122 PolarHBondContact OG1-NE1 3.44Å; T141-W1122 HydrophobicContact CG2-CD2 4.04Å; T141-W1122 HydrophobicContact CG2-CE3 4Å; T141-W1122 HydrophobicContact CG2-CH2 4.32Å; T141-W1122 HydrophobicContact CG2-CZ2 4.34Å; T141-W1122 HydrophobicContact CG2-CZ3 4.16Å; V1053-W1122 HydrophobicContact CG1-CH2 3.95Å; V1053-W1122 HydrophobicContact CG1-CZ3 3.88Å; I1118-W1122 WeakPolarHBondContact O-CB 3.49Å; I1118-W1122 PolarHBondContact O-N 3.46Å; S1119-W1122 WeakPolarHBondContact O-CB 3.46Å; S1119-W1122 PolarHBondContact O-N 2.92Å; W1122-R1126 VanDerWaalsContact CD1-NH1 3.29Å; W1122-R1126 VanDerWaalsContact CE2-NE 3.27Å; W1122-R1126 VanDerWaalsContact NE1-NE 3.13Å; W1122-R1126 WeakPolarHBondContact O-CD 3.38Å; W1122-R1126 PolarHBondContact O-N 3.14Å; W1122-R1126 PolarHBondContact O-NH1 2.86Å
1123L90.7Very high91.3Very high20 Ų2022.6 Ų22.611%0.10511%0.114CC..Hα-helixtrans-60.1-52.3178.3-178.369.8000111.8V1053 Y1057 S1119 R1121 V1125 R1126 L1127V1053-L1123 HydrophobicContact CG1-CD1 3.85Å; Y1057-L1123 HydrophobicContact CD1-CD1 4.28Å; Y1057-L1123 HydrophobicContact CD1-CD2 3.61Å; Y1057-L1123 HydrophobicContact CD1-CG 4.43Å; Y1057-L1123 HydrophobicContact CD2-CB 3.83Å; Y1057-L1123 HydrophobicContact CD2-CD1 4.4Å; Y1057-L1123 HydrophobicContact CD2-CD2 4.05Å; Y1057-L1123 HydrophobicContact CD2-CG 4.32Å; Y1057-L1123 HydrophobicContact CE1-CD2 3.57Å; Y1057-L1123 HydrophobicContact CE2-CB 4.02Å; Y1057-L1123 HydrophobicContact CE2-CD2 3.98Å; Y1057-L1123 HydrophobicContact CG-CB 4.22Å; Y1057-L1123 HydrophobicContact CG-CD1 3.95Å; Y1057-L1123 HydrophobicContact CG-CD2 3.85Å; Y1057-L1123 HydrophobicContact CG-CG 4.23Å; S1119-L1123 PolarHBondContact O-N 3.33Å; R1121-L1123 VanDerWaalsContact C-N 3.33Å; R1121-L1123 PolarHBondContact O-N 3.42Å; L1123-V1125 VanDerWaalsContact C-N 3.32Å; L1123-V1125 PolarHBondContact O-N 3.48Å; L1123-R1126 PolarHBondContact O-N 3.49Å; L1123-R1126 VanDerWaalsContact O-N 3.09Å; L1123-L1127 HydrophobicContact CD1-CD1 3.67Å; L1123-L1127 HydrophobicContact CD1-CD2 4.05Å; L1123-L1127 HydrophobicContact CD1-CG 3.74Å; L1123-L1127 HydrophobicContact CD2-CD1 4.09Å; L1123-L1127 HydrophobicContact CG-CD1 3.68Å; L1123-L1127 HydrophobicContact CG-CG 3.97Å; L1123-L1127 WeakPolarHBondContact O-CG 3.3Å; L1123-L1127 PolarHBondContact O-N 3.36Å
1124A90Very high91.2Very high16 Ų1620.9 Ų20.913%0.13211%0.107CC..Hα-helixtrans-54.4-47.7-175.800000111.8N288 H1120 R1121 R1126 L1127 E1128N288-A1124 WeakPolarHBondContact OD1-CB 3.36Å; H1120-A1124 WeakPolarHBondContact O-CB 3.49Å; H1120-A1124 PolarHBondContact O-N 2.9Å; R1121-A1124 PolarHBondContact O-N 2.89Å; A1124-R1126 PolarHBondContact O-N 3.38Å; A1124-L1127 PolarHBondContact O-N 3.19Å; A1124-E1128 VanDerWaalsContact O-CB 3.27Å; A1124-E1128 WeakPolarHBondContact O-CB 3.45Å; A1124-E1128 VanDerWaalsContact O-CG 3.27Å; A1124-E1128 WeakPolarHBondContact O-CG 3.33Å; A1124-E1128 PolarHBondContact O-N 3.03Å
1125V92.2Very high91Very high4 Ų420.4 Ų20.42%0.02411%0.106CC..Hα-helixtrans-61-44178.2173.30000111.6L133 F134 T284 N288 R1121 L1123 T1129L133-V1125 HydrophobicContact CD2-CG1 4.13Å; F134-V1125 HydrophobicContact CD2-CG2 3.91Å; F134-V1125 HydrophobicContact CE2-CG2 4.25Å; T284-V1125 HydrophobicContact CG2-CG1 4.49Å; T284-V1125 HydrophobicContact CG2-CG2 4.4Å; N288-V1125 HydrophobicContact CB-CG2 3.78Å; R1121-V1125 WeakPolarHBondContact O-CG2 3.17Å; R1121-V1125 PolarHBondContact O-N 3.15Å; L1123-V1125 VanDerWaalsContact C-N 3.32Å; L1123-V1125 PolarHBondContact O-N 3.48Å; V1125-T1129 HydrophobicContact CG1-CG2 4.31Å; V1125-T1129 WeakPolarHBondContact O-CB 3.41Å; V1125-T1129 WeakPolarHBondContact O-CG2 3.33Å; V1125-T1129 PolarHBondContact O-N 2.73Å; V1125-T1129 PolarHBondContact O-OG1 3.4Å
1126R91.5Very high91Very high37 Ų3722.1 Ų22.114%0.1412%0.115CC..Hα-helixtrans-64.3-51.4178.8-8185.3-172.1131.414.7111.3L133 S135 V1053 W1122 L1123 A1124 E1128 T1129 L1130L133-R1126 PolarHBondContact O-NH1 3.43Å; L133-R1126 PolarHBondContact O-NH2 2.67Å; S135-R1126 PolarHBondContact OG-NH2 3.49Å; V1053-R1126 HydrophobicContact CG1-CB 3.92Å; V1053-R1126 HydrophobicContact CG1-CG 4.34Å; W1122-R1126 VanDerWaalsContact CD1-NH1 3.29Å; W1122-R1126 VanDerWaalsContact CE2-NE 3.27Å; W1122-R1126 VanDerWaalsContact NE1-NE 3.13Å; W1122-R1126 WeakPolarHBondContact O-CD 3.38Å; W1122-R1126 PolarHBondContact O-N 3.14Å; W1122-R1126 PolarHBondContact O-NH1 2.86Å; L1123-R1126 PolarHBondContact O-N 3.49Å; L1123-R1126 VanDerWaalsContact O-N 3.09Å; A1124-R1126 PolarHBondContact O-N 3.38Å; R1126-E1128 VanDerWaalsContact C-N 3.33Å; R1126-E1128 PolarHBondContact O-N 3.42Å; R1126-T1129 WeakPolarHBondContact CA-OG1 3.48Å; R1126-T1129 PolarHBondContact O-N 3.14Å; R1126-T1129 PolarHBondContact O-OG1 3.36Å; R1126-L1130 WeakPolarHBondContact O-CG 3.1Å; R1126-L1130 PolarHBondContact O-N 3.1Å
1127L88.6Confident91Very high3 Ų322 Ų222%0.01612%0.116CC..Hα-helixtrans-65.1-39.5-175.1-59.3-171.2000111.5Y1050 V1053 L1123 A1124 L1130 G1131 N1170Y1050-L1127 HydrophobicContact CD2-CD2 3.67Å; Y1050-L1127 HydrophobicContact CE1-CD2 4.48Å; Y1050-L1127 HydrophobicContact CE2-CB 3.97Å; Y1050-L1127 HydrophobicContact CE2-CD1 4.03Å; Y1050-L1127 HydrophobicContact CE2-CD2 3.6Å; Y1050-L1127 HydrophobicContact CE2-CG 4.05Å; Y1050-L1127 HydrophobicContact CG-CD2 4.14Å; V1053-L1127 HydrophobicContact CB-CD2 4.38Å; V1053-L1127 HydrophobicContact CG1-CD2 3.93Å; L1123-L1127 HydrophobicContact CD1-CD1 3.67Å; L1123-L1127 HydrophobicContact CD1-CD2 4.05Å; L1123-L1127 HydrophobicContact CD1-CG 3.74Å; L1123-L1127 HydrophobicContact CD2-CD1 4.09Å; L1123-L1127 HydrophobicContact CG-CD1 3.68Å; L1123-L1127 HydrophobicContact CG-CG 3.97Å; L1123-L1127 WeakPolarHBondContact O-CG 3.3Å; L1123-L1127 PolarHBondContact O-N 3.36Å; A1124-L1127 PolarHBondContact O-N 3.19Å; L1127-L1130 PolarHBondContact O-N 3.3Å; L1127-G1131 PolarHBondContact O-N 3.47Å; L1127-N1170 WeakPolarHBondContact CB-OD1 3.48Å; L1127-N1170 WeakPolarHBondContact CD1-OD1 3.37Å
1128E90.4Very high91Very high40 Ų4021.3 Ų21.319%0.18711%0.111CC..Hα-helixtrans-67.6-40.1174.9-70.2174.7-154.400111.9T284 A1124 R1126 L1130 G1131 N1132 T1166T284-E1128 WeakPolarHBondContact CA-OE2 3.36Å; T284-E1128 WeakPolarHBondContact CB-OE2 3.44Å; T284-E1128 HydrophobicContact CG2-CB 3.7Å; T284-E1128 WeakPolarHBondContact CG2-OE2 3.23Å; T284-E1128 WeakPolarHBondContact OG1-CB 3.16Å; T284-E1128 PolarHBondContact OG1-OE2 3.18Å; A1124-E1128 VanDerWaalsContact O-CB 3.27Å; A1124-E1128 WeakPolarHBondContact O-CB 3.45Å; A1124-E1128 VanDerWaalsContact O-CG 3.27Å; A1124-E1128 WeakPolarHBondContact O-CG 3.33Å; A1124-E1128 PolarHBondContact O-N 3.03Å; R1126-E1128 VanDerWaalsContact C-N 3.33Å; R1126-E1128 PolarHBondContact O-N 3.42Å; E1128-L1130 PolarHBondContact O-N 3.19Å; E1128-G1131 CarbonylContact O-C 3.44Å; E1128-G1131 WeakPolarHBondContact O-CA 3.29Å; E1128-G1131 PolarHBondContact O-N 3.5Å; E1128-N1132 PolarHBondContact O-N 3.33Å; E1128-N1132 PolarHBondContact O-ND2 3.04Å; E1128-N1132 PolarHBondContact O-OD1 2.85Å; E1128-T1166 HydrophobicContact CG-CG2 4.37Å
1129T90.1Very high90.9Very high44 Ų4421.3 Ų21.327%0.2711%0.111SC..Hα-helixtrans-63.8-40.1174.755.80000112.8V1125 R1126 G1131 N1132 V1133V1125-T1129 HydrophobicContact CG1-CG2 4.31Å; V1125-T1129 WeakPolarHBondContact O-CB 3.41Å; V1125-T1129 WeakPolarHBondContact O-CG2 3.33Å; V1125-T1129 PolarHBondContact O-N 2.73Å; V1125-T1129 PolarHBondContact O-OG1 3.4Å; R1126-T1129 WeakPolarHBondContact CA-OG1 3.48Å; R1126-T1129 PolarHBondContact O-N 3.14Å; R1126-T1129 PolarHBondContact O-OG1 3.36Å; T1129-G1131 VanDerWaalsContact C-N 3.3Å; T1129-G1131 PolarHBondContact O-N 3.17Å; T1129-N1132 PolarHBondContact O-N 3.11Å; T1129-V1133 WeakPolarHBondContact O-CG2 3.48Å; T1129-V1133 PolarHBondContact O-N 3.36Å
1130L91.2Very high90.9Very high26 Ų2624 Ų2414%0.13613%0.125CC..Hα-helixtrans-61.9-40.3172.9-71.6176.7000111.3V1046 L1049 Y1050 R1126 L1127 E1128 V1133 L1134V1046-L1130 HydrophobicContact CG1-CB 4.06Å; V1046-L1130 HydrophobicContact CG1-CD2 4.38Å; L1049-L1130 HydrophobicContact CB-CD1 4.34Å; L1049-L1130 HydrophobicContact CB-CD2 4.28Å; L1049-L1130 HydrophobicContact CD1-CD2 4.29Å; Y1050-L1130 HydrophobicContact CD2-CD1 4.37Å; R1126-L1130 WeakPolarHBondContact O-CG 3.1Å; R1126-L1130 PolarHBondContact O-N 3.1Å; L1127-L1130 PolarHBondContact O-N 3.3Å; E1128-L1130 PolarHBondContact O-N 3.19Å; L1130-V1133 WeakPolarHBondContact O-CB 3.49Å; L1130-V1133 PolarHBondContact O-N 3.11Å; L1130-L1134 PolarHBondContact O-N 3.18Å
1131G89Confident90.9Very high4 Ų422.3 Ų22.34%0.04112%0.117CC..Hα-helixtrans-62.1-42.7172.600000113.7L1127 E1128 T1129 V1133 L1134 V1135 T1166L1127-G1131 PolarHBondContact O-N 3.47Å; E1128-G1131 CarbonylContact O-C 3.44Å; E1128-G1131 WeakPolarHBondContact O-CA 3.29Å; E1128-G1131 PolarHBondContact O-N 3.5Å; T1129-G1131 VanDerWaalsContact C-N 3.3Å; T1129-G1131 PolarHBondContact O-N 3.17Å; G1131-V1133 VanDerWaalsContact C-N 3.26Å; G1131-V1133 PolarHBondContact O-N 2.98Å; G1131-L1134 WeakPolarHBondContact O-CB 3.22Å; G1131-L1134 PolarHBondContact O-N 2.89Å; G1131-V1135 PolarHBondContact O-N 3.14Å; G1131-T1166 WeakPolarHBondContact CA-OG1 3.24Å
1132N91.3Very high90.6Very high15 Ų1520.6 Ų20.68%0.0811%0.112CC..Hα-helixtrans-63.6-32.7176.7-64.6-18.5000111.6F277 S280 V281 E1128 T1129 L1134 V1135 L1136F277-N1132 HydrophobicContact CD2-CB 4.13Å; F277-N1132 WeakPolarHBondContact CD2-O 3.36Å; F277-N1132 HydrophobicContact CE2-CB 4.02Å; S280-N1132 VanDerWaalsContact C-ND2 3.32Å; S280-N1132 WeakPolarHBondContact CB-OD1 3.28Å; S280-N1132 PolarHBondContact O-ND2 2.91Å; V281-N1132 HydrophobicContact CG2-CB 4.29Å; V281-N1132 PolarHBondContact N-ND2 2.95Å; E1128-N1132 PolarHBondContact O-N 3.33Å; E1128-N1132 PolarHBondContact O-ND2 3.04Å; E1128-N1132 PolarHBondContact O-OD1 2.85Å; T1129-N1132 PolarHBondContact O-N 3.11Å; N1132-L1134 VanDerWaalsContact C-N 3.34Å; N1132-V1135 PolarHBondContact O-N 2.73Å; N1132-L1136 WeakPolarHBondContact O-CB 3.33Å; N1132-L1136 PolarHBondContact O-N 3.34Å
1133V92.4Very high90.3Very high56 Ų5620.3 Ų20.334%0.33911%0.111SC..Hα-helixtrans-64.6-37.3171.9171.60000111.6F277 V1046 T1129 L1130 G1131 L1136 A1137F277-V1133 HydrophobicContact CE2-CG2 4.18Å; V1046-V1133 HydrophobicContact CG2-CG1 4.43Å; T1129-V1133 WeakPolarHBondContact O-CG2 3.48Å; T1129-V1133 PolarHBondContact O-N 3.36Å; L1130-V1133 WeakPolarHBondContact O-CB 3.49Å; L1130-V1133 PolarHBondContact O-N 3.11Å; G1131-V1133 VanDerWaalsContact C-N 3.26Å; G1131-V1133 PolarHBondContact O-N 2.98Å; V1133-L1136 PolarHBondContact O-N 2.83Å; V1133-A1137 WeakPolarHBondContact O-CB 3.09Å; V1133-A1137 PolarHBondContact O-N 2.88Å
1134L89.6Confident90.2Very high1 Ų124.4 Ų24.41%0.00513%0.132CC..Hα-helixtrans-67.9-40.7175.2-65.3174.4000111.9F1039 V1042 F1043 V1046 L1130 G1131 N1132 L1136 A1137 A1138 L1165F1039-L1134 HydrophobicContact CE1-CD2 4.45Å; F1039-L1134 HydrophobicContact CE2-CB 4.38Å; F1039-L1134 HydrophobicContact CE2-CD2 4.39Å; F1039-L1134 WeakPolarHBondContact CE2-O 3.43Å; F1039-L1134 HydrophobicContact CZ-CB 4.03Å; F1039-L1134 HydrophobicContact CZ-CD2 3.85Å; F1039-L1134 HydrophobicContact CZ-CG 4.41Å; V1042-L1134 HydrophobicContact CG1-CD2 4.36Å; F1043-L1134 HydrophobicContact CD2-CD1 4.36Å; F1043-L1134 HydrophobicContact CD2-CD2 4.32Å; V1046-L1134 HydrophobicContact CB-CD2 3.96Å; V1046-L1134 HydrophobicContact CB-CG 4.45Å; V1046-L1134 HydrophobicContact CG1-CD1 3.92Å; V1046-L1134 HydrophobicContact CG1-CD2 4Å; V1046-L1134 HydrophobicContact CG1-CG 3.93Å; V1046-L1134 HydrophobicContact CG2-CD2 3.97Å; L1130-L1134 PolarHBondContact O-N 3.18Å; G1131-L1134 WeakPolarHBondContact O-CB 3.22Å; G1131-L1134 PolarHBondContact O-N 2.89Å; N1132-L1134 VanDerWaalsContact C-N 3.34Å; L1134-L1136 VanDerWaalsContact C-N 3.33Å; L1134-A1137 PolarHBondContact O-N 3.23Å; L1134-A1138 PolarHBondContact O-N 3.28Å; L1134-L1165 HydrophobicContact CD1-CD2 3.63Å; L1134-L1165 HydrophobicContact CD1-CG 4.32Å
1135V89Confident89.9Confident4 Ų424 Ų242%0.02413%0.13CC..Hα-helixtrans-61.1-44.2173.41760000110.7M276 G1131 N1132 A1137 A1138 S1139 A1162 L1163M276-V1135 HydrophobicContact CE-CG1 3.7Å; M276-V1135 HydrophobicContact CG-CG1 4.34Å; M276-V1135 HydrophobicContact SD-CG1 4.01Å; G1131-V1135 PolarHBondContact O-N 3.14Å; N1132-V1135 PolarHBondContact O-N 2.73Å; V1135-A1137 PolarHBondContact O-N 3.49Å; V1135-A1138 PolarHBondContact O-N 3.41Å; V1135-S1139 PolarHBondContact O-N 3.29Å; V1135-S1139 PolarHBondContact O-OG 3.49Å; V1135-A1162 HydrophobicContact CG2-CB 4.41Å; V1135-L1163 HydrophobicContact CG1-CD2 4.04Å; V1135-L1163 HydrophobicContact CG2-CD2 4.19Å
1136L92.5Very high89.4Confident41 Ų4125 Ų2522%0.21513%0.133CC..Hα-helixtrans-58.5-47.4174.4177.162.4000111.1A273 F277 N1132 V1133 L1134 A1138 S1139 L1140A273-L1136 HydrophobicContact CB-CD1 4.36Å; F277-L1136 HydrophobicContact CB-CB 4.37Å; F277-L1136 HydrophobicContact CB-CD1 4.11Å; F277-L1136 HydrophobicContact CD2-CB 3.86Å; F277-L1136 HydrophobicContact CD2-CD2 3.97Å; F277-L1136 HydrophobicContact CD2-CG 4.43Å; F277-L1136 HydrophobicContact CE2-CD2 4.28Å; F277-L1136 HydrophobicContact CG-CB 4.36Å; F277-L1136 HydrophobicContact CG-CD2 4.08Å; N1132-L1136 WeakPolarHBondContact O-CB 3.33Å; N1132-L1136 PolarHBondContact O-N 3.34Å; V1133-L1136 PolarHBondContact O-N 2.83Å; L1134-L1136 VanDerWaalsContact C-N 3.33Å; L1136-A1138 PolarHBondContact O-N 3.35Å; L1136-S1139 WeakPolarHBondContact CA-OG 3.46Å; L1136-S1139 PolarHBondContact O-N 3.46Å; L1136-S1139 PolarHBondContact O-OG 3.41Å; L1136-L1140 HydrophobicContact CD1-CD1 3.97Å; L1136-L1140 HydrophobicContact CD1-CG 4Å; L1136-L1140 HydrophobicContact CG-CD1 3.91Å; L1136-L1140 HydrophobicContact CG-CG 4.34Å; L1136-L1140 WeakPolarHBondContact O-CB 3.14Å; L1136-L1140 VanDerWaalsContact O-CG 3.32Å; L1136-L1140 WeakPolarHBondContact O-CG 3.28Å; L1136-L1140 PolarHBondContact O-N 3.49Å
1137A92.1Very high88.8Confident10 Ų1029 Ų298%0.08316%0.157CC..Hα-helixtrans-60.1-45.4177.700000112.5F1039 V1042 V1133 L1134 V1135 S1139 L1140 F1141F1039-A1137 HydrophobicContact CE2-CB 4.4Å; V1042-A1137 HydrophobicContact CB-CB 4.19Å; V1042-A1137 HydrophobicContact CG1-CB 3.87Å; V1042-A1137 HydrophobicContact CG2-CB 4.19Å; V1133-A1137 WeakPolarHBondContact O-CB 3.09Å; V1133-A1137 PolarHBondContact O-N 2.88Å; L1134-A1137 PolarHBondContact O-N 3.23Å; V1135-A1137 PolarHBondContact O-N 3.49Å; A1137-S1139 VanDerWaalsContact C-N 3.34Å; A1137-S1139 PolarHBondContact O-N 3.2Å; A1137-L1140 PolarHBondContact O-N 2.77Å; A1137-F1141 HydrophobicContact CB-CD2 4.46Å; A1137-F1141 HydrophobicContact CB-CE2 4.1Å; A1137-F1141 WeakPolarHBondContact O-CD2 3.49Å; A1137-F1141 WeakPolarHBondContact O-CG 3.45Å; A1137-F1141 PolarHBondContact O-N 2.97Å
1138A89.9Confident88.4Confident0 Ų033.8 Ų33.80%019%0.191CC..Hα-helixtrans-60.2-43.6175.800000111.8F1039 L1134 V1135 L1136 A1142 A1162F1039-A1138 HydrophobicContact CD2-CB 4.41Å; F1039-A1138 HydrophobicContact CE2-CB 4.13Å; L1134-A1138 PolarHBondContact O-N 3.28Å; V1135-A1138 PolarHBondContact O-N 3.41Å; L1136-A1138 PolarHBondContact O-N 3.35Å; A1138-A1142 WeakPolarHBondContact O-CB 3.17Å; A1138-A1142 PolarHBondContact O-N 3.17Å; A1138-A1162 HydrophobicContact CB-CB 3.66Å
1139S90.6Very high87.8Confident0 Ų034.3 Ų34.30%021%0.207CC..Hα-helixtrans-65.4-41.317769.50000112.7A273 V1135 L1136 A1137 A1142 I1143A273-S1139 VanDerWaalsContact CB-OG 3.27Å; A273-S1139 WeakPolarHBondContact CB-OG 3.44Å; V1135-S1139 PolarHBondContact O-N 3.29Å; V1135-S1139 PolarHBondContact O-OG 3.49Å; L1136-S1139 WeakPolarHBondContact CA-OG 3.46Å; L1136-S1139 PolarHBondContact O-N 3.46Å; L1136-S1139 PolarHBondContact O-OG 3.41Å; A1137-S1139 VanDerWaalsContact C-N 3.34Å; A1137-S1139 PolarHBondContact O-N 3.2Å; S1139-A1142 WeakPolarHBondContact O-CB 3.43Å; S1139-A1142 PolarHBondContact O-N 3.34Å; S1139-I1143 VanDerWaalsContact O-CD1 3.25Å; S1139-I1143 WeakPolarHBondContact O-CD1 3.21Å; S1139-I1143 VanDerWaalsContact O-CG1 3.23Å; S1139-I1143 WeakPolarHBondContact O-CG1 3.38Å; S1139-I1143 PolarHBondContact O-N 2.86Å
1140L91.9Very high87.5Confident56 Ų5634.3 Ų34.329%0.29321%0.205SC..Hα-helixtrans-66.6-43.6177.8-71.9174.3000111.8L270 A273 L1136 A1137 A1142 I1143 L1144L270-L1140 HydrophobicContact CD2-CD2 3.74Å; A273-L1140 HydrophobicContact CB-CD2 4.27Å; L1136-L1140 HydrophobicContact CD1-CD1 3.97Å; L1136-L1140 HydrophobicContact CD1-CG 4Å; L1136-L1140 HydrophobicContact CG-CD1 3.91Å; L1136-L1140 HydrophobicContact CG-CG 4.34Å; L1136-L1140 WeakPolarHBondContact O-CB 3.14Å; L1136-L1140 VanDerWaalsContact O-CG 3.32Å; L1136-L1140 WeakPolarHBondContact O-CG 3.28Å; L1136-L1140 PolarHBondContact O-N 3.49Å; A1137-L1140 PolarHBondContact O-N 2.77Å; L1140-A1142 VanDerWaalsContact C-N 3.3Å; L1140-A1142 PolarHBondContact O-N 3.26Å; L1140-I1143 PolarHBondContact O-N 3.25Å; L1140-L1144 WeakPolarHBondContact O-CB 3.35Å; L1140-L1144 VanDerWaalsContact O-CG 3.3Å; L1140-L1144 WeakPolarHBondContact O-CG 3.27Å; L1140-L1144 PolarHBondContact O-N 3.29Å
1141F89.8Confident87.3Confident44 Ų4434.4 Ų34.419%0.19321%0.208CC..Hα-helixtrans-66.8-32.8176-65-44.7000112.4T1036 L1038 F1039 V1042 A1137 G1145T1036-F1141 HydrophobicContact CG2-CB 3.63Å; T1036-F1141 HydrophobicContact CG2-CD2 4.22Å; T1036-F1141 HydrophobicContact CG2-CG 4.17Å; L1038-F1141 HydrophobicContact CB-CD1 4.36Å; L1038-F1141 HydrophobicContact CB-CE1 4.26Å; L1038-F1141 HydrophobicContact CB-CZ 4.4Å; F1039-F1141 HydrophobicContact CB-CD2 4.46Å; F1039-F1141 HydrophobicContact CD2-CD2 4.42Å; V1042-F1141 HydrophobicContact CG2-CE2 3.94Å; V1042-F1141 HydrophobicContact CG2-CZ 3.83Å; A1137-F1141 HydrophobicContact CB-CD2 4.46Å; A1137-F1141 HydrophobicContact CB-CE2 4.1Å; A1137-F1141 WeakPolarHBondContact O-CD2 3.49Å; A1137-F1141 WeakPolarHBondContact O-CG 3.45Å; A1137-F1141 PolarHBondContact O-N 2.97Å; F1141-G1145 WeakPolarHBondContact O-CA 3.47Å; F1141-G1145 PolarHBondContact O-N 2.82Å
1142A86.2Confident87.2Confident3 Ų335.3 Ų35.33%0.02521%0.213CC..Hα-helixtrans-63.4-41.6171.200000112.4A1138 S1139 L1140 R1146 V1155 I1159A1138-A1142 WeakPolarHBondContact O-CB 3.17Å; A1138-A1142 PolarHBondContact O-N 3.17Å; S1139-A1142 WeakPolarHBondContact O-CB 3.43Å; S1139-A1142 PolarHBondContact O-N 3.34Å; L1140-A1142 VanDerWaalsContact C-N 3.3Å; L1140-A1142 PolarHBondContact O-N 3.26Å; A1142-R1146 PolarHBondContact O-N 3Å; A1142-V1155 HydrophobicContact CB-CB 4.23Å; A1142-V1155 HydrophobicContact CB-CG1 3.52Å; A1142-V1155 HydrophobicContact CB-CG2 3.81Å; A1142-I1159 HydrophobicContact CB-CD1 4.1Å
1143I88.3Confident87Confident3 Ų334.6 Ų34.62%0.01521%0.209CC..Hα-helixtrans-69-49.5178.9-67.1155.1000111.2L255 Y258 L266 G269 A273 S1139 L1140 G1145 R1146L255-I1143 HydrophobicContact CD2-CD1 4.01Å; L255-I1143 HydrophobicContact CD2-CG1 4.16Å; Y258-I1143 HydrophobicContact CD1-CG1 4.44Å; Y258-I1143 HydrophobicContact CE1-CB 4.3Å; Y258-I1143 HydrophobicContact CE1-CG1 4.14Å; Y258-I1143 HydrophobicContact CE1-CG2 3.87Å; L266-I1143 HydrophobicContact CD1-CG2 3.63Å; G269-I1143 WeakPolarHBondContact O-CD1 3.42Å; A273-I1143 HydrophobicContact CB-CD1 3.53Å; S1139-I1143 VanDerWaalsContact O-CD1 3.25Å; S1139-I1143 WeakPolarHBondContact O-CD1 3.21Å; S1139-I1143 VanDerWaalsContact O-CG1 3.23Å; S1139-I1143 WeakPolarHBondContact O-CG1 3.38Å; S1139-I1143 PolarHBondContact O-N 2.86Å; L1140-I1143 PolarHBondContact O-N 3.25Å; I1143-G1145 VanDerWaalsContact C-N 3.29Å; I1143-G1145 PolarHBondContact O-N 2.88Å; I1143-R1146 VanDerWaalsContact O-CB 3.29Å; I1143-R1146 WeakPolarHBondContact O-CB 3.48Å; I1143-R1146 PolarHBondContact O-N 2.88Å
1144L87.1Confident86.9Confident106 Ų10634.5 Ų34.556%0.55521%0.206SC*.Hα-helixtrans-68.7-30.3-179.6-65.5173.3000111.9L1140 R1146L1140-L1144 WeakPolarHBondContact O-CB 3.35Å; L1140-L1144 VanDerWaalsContact O-CG 3.3Å; L1140-L1144 WeakPolarHBondContact O-CG 3.27Å; L1140-L1144 PolarHBondContact O-N 3.29Å; L1144-R1146 VanDerWaalsContact C-N 3.31Å
1145G83.4Confident86.8Confident8 Ų834.5 Ų34.58%0.08221%0.206CC..THydrogen-bonded Turntrans-78.8-7.9177.200000114.6F1141 I1143 D1147 S1148 L1150F1141-G1145 WeakPolarHBondContact O-CA 3.47Å; F1141-G1145 PolarHBondContact O-N 2.82Å; I1143-G1145 VanDerWaalsContact C-N 3.29Å; I1143-G1145 PolarHBondContact O-N 2.88Å; G1145-D1147 VanDerWaalsContact C-N 3.25Å; G1145-D1147 PolarHBondContact O-N 3.42Å; G1145-S1148 WeakPolarHBondContact O-CA 3.36Å; G1145-S1148 WeakPolarHBondContact O-CB 3.35Å; G1145-S1148 PolarHBondContact O-N 3.38Å; G1145-L1150 PolarHBondContact O-N 2.91Å
1146R82.8Confident86.8Confident23 Ų2334.3 Ų34.39%0.08721%0.205CC..G310 helixtrans-52.3-45.5179.6-174.3-17676.8172.22.6111.6Y258 V259 S261 R262 Q264 A1142 I1143 L1144 S1148 G1149Y258-R1146 VanDerWaalsContact CE2-NH1 3.27Å; Y258-R1146 VanDerWaalsContact CZ-NH1 3.29Å; Y258-R1146 PolarHBondContact OH-NH1 2.91Å; V259-R1146 HydrophobicContact CG1-CG 4.4Å; S261-R1146 PolarHBondContact O-NH1 3.29Å; R262-R1146 PolarHBondContact O-NH2 3.43Å; Q264-R1146 PolarHBondContact O-NH1 3.49Å; Q264-R1146 PolarHBondContact O-NH2 3.27Å; A1142-R1146 PolarHBondContact O-N 3Å; I1143-R1146 VanDerWaalsContact O-CB 3.29Å; I1143-R1146 WeakPolarHBondContact O-CB 3.48Å; I1143-R1146 PolarHBondContact O-N 2.88Å; L1144-R1146 VanDerWaalsContact C-N 3.31Å; R1146-S1148 VanDerWaalsContact C-N 3.29Å; R1146-S1148 PolarHBondContact O-N 2.78Å; R1146-G1149 PolarHBondContact O-N 2.87Å
1147D79.1Confident86.7Confident123 Ų12332.4 Ų32.466%0.65820%0.195SC*.G310 helixtrans-78.2-16.6-177.7-57.8-23.3000112.4G1145 G1149G1145-D1147 VanDerWaalsContact C-N 3.25Å; G1145-D1147 PolarHBondContact O-N 3.42Å; D1147-G1149 PolarHBondContact O-N 3.03Å
1148S80.7Confident86.6Confident102 Ų10232 Ų3271%0.71319%0.191SC*.G310 helixtrans-81.83174.8-56.40000113.5G1145 R1146G1145-S1148 WeakPolarHBondContact O-CA 3.36Å; G1145-S1148 WeakPolarHBondContact O-CB 3.35Å; G1145-S1148 PolarHBondContact O-N 3.38Å; R1146-S1148 VanDerWaalsContact C-N 3.29Å; R1146-S1148 PolarHBondContact O-N 2.78Å
1149G78Confident86.5Confident51 Ų5132 Ų3253%0.52619%0.191SC..THydrogen-bonded Turntrans83.420.817900000114.9R1146 D1147 S1151R1146-G1149 PolarHBondContact O-N 2.87Å; D1147-G1149 PolarHBondContact O-N 3.03Å; G1149-S1151 PolarHBondContact O-N 3.28Å
1150L82.7Confident86.4Confident44 Ų4432 Ų3223%0.2319%0.192CC..  trans-59.5124.7171.3-11599.6000110G1145 I1154 V1155G1145-L1150 PolarHBondContact O-N 2.91Å; L1150-I1154 HydrophobicContact CD2-CG2 4.24Å; L1150-V1155 HydrophobicContact CB-CG2 4.25Å; L1150-V1155 HydrophobicContact CD2-CG2 3.59Å
1151S86.6Confident86.3Confident28 Ų2830 Ų3020%0.19618%0.18CC..  trans-68.4143.3176.973.20000111.4N925 G1149 G1153 I1154 V1155N925-S1151 VanDerWaalsContact ND2-CB 3.26Å; N925-S1151 WeakPolarHBondContact ND2-CB 3.44Å; N925-S1151 PolarHBondContact ND2-OG 3.31Å; G1149-S1151 PolarHBondContact O-N 3.28Å; S1151-G1153 PolarHBondContact O-N 3.02Å; S1151-I1154 PolarHBondContact O-N 3.01Å; S1151-I1154 WeakPolarHBondContact OG-CB 3.28Å; S1151-I1154 VanDerWaalsContact OG-CD1 3.26Å; S1151-I1154 WeakPolarHBondContact OG-CD1 3.4Å; S1151-I1154 WeakPolarHBondContact OG-CG1 3.4Å; S1151-I1154 PolarHBondContact OG-N 3.38Å; S1151-V1155 PolarHBondContact O-N 3.25Å; S1151-V1155 VanDerWaalsContact O-N 3.09Å
1152P86.5Confident86.2Confident23 Ų2327.9 Ų27.915%0.14917%0.171CC..Hα-helixtrans-58.1-35.1177.9-21.731000112.9I256 V259 E260 P485 V1155 G1156I256-P1152 HydrophobicContact CG2-CB 4.35Å; V259-P1152 HydrophobicContact CG1-CB 4.4Å; V259-P1152 HydrophobicContact CG1-CG 4.28Å; E260-P1152 HydrophobicContact CB-CG 4.33Å; P485-P1152 HydrophobicContact CB-CB 4.14Å; P485-P1152 HydrophobicContact CG-CB 4.11Å; P1152-V1155 WeakPolarHBondContact O-CB 3.41Å; P1152-V1155 PolarHBondContact O-N 3.04Å; P1152-G1156 PolarHBondContact O-N 2.89Å
1153G87.8Confident86.2Confident0 Ų029.6 Ų29.60%018%0.18CC..Hα-helixtrans-63.2-38.7174.300000113.9F489 N925 S1151 G1156 L1157F489-G1153 WeakPolarHBondContact CE2-O 3.21Å; F489-G1153 WeakPolarHBondContact CZ-O 3.48Å; N925-G1153 WeakPolarHBondContact OD1-CA 3.2Å; N925-G1153 PolarHBondContact OD1-N 3.49Å; S1151-G1153 PolarHBondContact O-N 3.02Å; G1153-G1156 PolarHBondContact O-N 3.25Å; G1153-L1157 VanDerWaalsContact O-CB 3.3Å; G1153-L1157 WeakPolarHBondContact O-CB 3.41Å; G1153-L1157 PolarHBondContact O-N 3.2Å
1154I89.8Confident86.1Confident55 Ų5531.9 Ų31.928%0.28219%0.19SC..Hα-helixtrans-70.1-36.4175.4-69.3169.3000110.7L1150 S1151 L1157 S1158L1150-I1154 HydrophobicContact CD2-CG2 4.24Å; S1151-I1154 PolarHBondContact O-N 3.01Å; S1151-I1154 WeakPolarHBondContact OG-CB 3.28Å; S1151-I1154 VanDerWaalsContact OG-CD1 3.26Å; S1151-I1154 WeakPolarHBondContact OG-CD1 3.4Å; S1151-I1154 WeakPolarHBondContact OG-CG1 3.4Å; S1151-I1154 PolarHBondContact OG-N 3.38Å; I1154-L1157 PolarHBondContact O-N 2.69Å; I1154-S1158 VanDerWaalsContact O-CB 3.29Å; I1154-S1158 WeakPolarHBondContact O-CB 3.46Å; I1154-S1158 PolarHBondContact O-N 2.84Å
1155V87.8Confident85.9Confident0 Ų026.9 Ų26.90%016%0.164CC..Hα-helixtrans-62.5-50.3173.2167.40000111V259 A1142 L1150 S1151 P1152 L1157 S1158 I1159V259-V1155 HydrophobicContact CG1-CG2 4.11Å; V259-V1155 HydrophobicContact CG2-CG1 4.22Å; V259-V1155 HydrophobicContact CG2-CG2 4.36Å; A1142-V1155 HydrophobicContact CB-CB 4.23Å; A1142-V1155 HydrophobicContact CB-CG1 3.52Å; A1142-V1155 HydrophobicContact CB-CG2 3.81Å; L1150-V1155 HydrophobicContact CB-CG2 4.25Å; L1150-V1155 HydrophobicContact CD2-CG2 3.59Å; S1151-V1155 PolarHBondContact O-N 3.25Å; S1151-V1155 VanDerWaalsContact O-N 3.09Å; P1152-V1155 WeakPolarHBondContact O-CB 3.41Å; P1152-V1155 PolarHBondContact O-N 3.04Å; V1155-L1157 VanDerWaalsContact C-N 3.27Å; V1155-L1157 PolarHBondContact O-N 3.21Å; V1155-S1158 PolarHBondContact O-N 3.49Å; V1155-I1159 HydrophobicContact CG1-CD1 3.72Å; V1155-I1159 HydrophobicContact CG1-CG1 4.43Å; V1155-I1159 WeakPolarHBondContact O-CG1 3.28Å; V1155-I1159 PolarHBondContact O-N 3.34Å
1156G89.2Confident85.8Confident0 Ų027.1 Ų27.10%016%0.164CC..Hα-helixtrans-57-42.517700000111.9P1152 G1153 S1160P1152-G1156 PolarHBondContact O-N 2.89Å; G1153-G1156 PolarHBondContact O-N 3.25Å; G1156-S1160 WeakPolarHBondContact O-CB 3.36Å; G1156-S1160 PolarHBondContact O-N 3.38Å; G1156-S1160 PolarHBondContact O-OG 3.45Å
1157L90.5Very high85.7Confident1 Ų131.9 Ų31.91%0.00519%0.187CC..Hα-helixtrans-61.1-55.2174.2-177.568.1000111.8F489 F918 A921 V1031 G1153 I1154 V1155 I1159 S1160 Y1161F489-L1157 VanDerWaalsContact CE1-CA 3.45Å; F489-L1157 HydrophobicContact CE1-CB 3.74Å; F489-L1157 HydrophobicContact CE1-CD1 3.87Å; F489-L1157 HydrophobicContact CE1-CG 4.45Å; F489-L1157 HydrophobicContact CZ-CB 3.76Å; F489-L1157 HydrophobicContact CZ-CD1 4.36Å; F918-L1157 HydrophobicContact CD1-CD2 3.82Å; F918-L1157 HydrophobicContact CE1-CD2 3.8Å; F918-L1157 HydrophobicContact CG-CD2 4.35Å; F918-L1157 HydrophobicContact CZ-CD2 4.33Å; A921-L1157 HydrophobicContact CB-CB 4.36Å; A921-L1157 HydrophobicContact CB-CD2 4.15Å; V1031-L1157 HydrophobicContact CG1-CD1 4.07Å; V1031-L1157 HydrophobicContact CG1-CD2 3.82Å; V1031-L1157 HydrophobicContact CG1-CG 3.69Å; G1153-L1157 VanDerWaalsContact O-CB 3.3Å; G1153-L1157 WeakPolarHBondContact O-CB 3.41Å; G1153-L1157 PolarHBondContact O-N 3.2Å; I1154-L1157 PolarHBondContact O-N 2.69Å; V1155-L1157 VanDerWaalsContact C-N 3.27Å; V1155-L1157 PolarHBondContact O-N 3.21Å; L1157-I1159 PolarHBondContact O-N 2.67Å; L1157-S1160 PolarHBondContact O-N 2.96Å; L1157-Y1161 HydrophobicContact CD1-CD2 3.55Å; L1157-Y1161 HydrophobicContact CD1-CE2 3.35Å; L1157-Y1161 HydrophobicContact CG-CD2 4.17Å; L1157-Y1161 HydrophobicContact CG-CE2 4.37Å; L1157-Y1161 WeakPolarHBondContact O-CB 3.4Å; L1157-Y1161 VanDerWaalsContact O-CD2 3.31Å; L1157-Y1161 WeakPolarHBondContact O-CD2 3.4Å; L1157-Y1161 PolarHBondContact O-N 2.96Å
1158S89.6Confident86Confident1 Ų126.2 Ų26.21%0.00716%0.158CC..Hα-helixtrans-57.4-47-176.8-174.80000111.9T1036 I1154 V1155 Y1161 A1162T1036-S1158 PolarHBondContact OG1-OG 2.91Å; I1154-S1158 VanDerWaalsContact O-CB 3.29Å; I1154-S1158 WeakPolarHBondContact O-CB 3.46Å; I1154-S1158 PolarHBondContact O-N 2.84Å; V1155-S1158 PolarHBondContact O-N 3.49Å; S1158-Y1161 PolarHBondContact O-N 3.38Å; S1158-A1162 WeakPolarHBondContact O-CB 3.48Å; S1158-A1162 PolarHBondContact O-N 3.46Å
1159I89.1Confident86.1Confident0 Ų022.2 Ų22.20%013%0.128CC..Hα-helixtrans-71.4-41.2-179.9-59.2172.5000111.4L252 L255 M276 A1142 V1155 L1157 Y1161 A1162 L1163L252-I1159 HydrophobicContact CD1-CB 3.83Å; L252-I1159 HydrophobicContact CD1-CD1 4.21Å; L252-I1159 HydrophobicContact CD1-CG2 3.69Å; L255-I1159 HydrophobicContact CD1-CD1 4.22Å; M276-I1159 HydrophobicContact CE-CG2 3.67Å; M276-I1159 HydrophobicContact SD-CG2 4.25Å; A1142-I1159 HydrophobicContact CB-CD1 4.1Å; V1155-I1159 HydrophobicContact CG1-CD1 3.72Å; V1155-I1159 HydrophobicContact CG1-CG1 4.43Å; V1155-I1159 WeakPolarHBondContact O-CG1 3.28Å; V1155-I1159 PolarHBondContact O-N 3.34Å; L1157-I1159 PolarHBondContact O-N 2.67Å; I1159-Y1161 PolarHBondContact O-N 3.02Å; I1159-A1162 PolarHBondContact O-N 3.42Å; I1159-L1163 WeakPolarHBondContact O-CG 3.39Å; I1159-L1163 PolarHBondContact O-N 2.95Å
1160S88.4Confident86Confident2 Ų220.7 Ų20.71%0.01411%0.108CC..Hα-helixtrans-61-34.7177-63.20000112.3G1156 L1157 Q1164G1156-S1160 WeakPolarHBondContact O-CB 3.36Å; G1156-S1160 PolarHBondContact O-N 3.38Å; G1156-S1160 PolarHBondContact O-OG 3.45Å; L1157-S1160 PolarHBondContact O-N 2.96Å; S1160-Q1164 WeakPolarHBondContact O-CG 3.39Å; S1160-Q1164 PolarHBondContact O-NE2 2.86Å
1161Y89.7Confident85.9Confident13 Ų1321.5 Ų21.55%0.05111%0.11CC..Hα-helixtrans-77.3-38.8174.4-90.1-96.8000112.2S917 V1028 V1031 L1157 S1158 I1159 L1163 Q1164 L1165S917-Y1161 VanDerWaalsContact CB-OH 3.27Å; S917-Y1161 WeakPolarHBondContact CB-OH 3.24Å; S917-Y1161 PolarHBondContact OG-OH 3.39Å; V1028-Y1161 HydrophobicContact CB-CD1 4.07Å; V1028-Y1161 HydrophobicContact CG1-CD1 4.13Å; V1028-Y1161 WeakPolarHBondContact CG1-O 3.47Å; V1028-Y1161 HydrophobicContact CG2-CD1 3.81Å; V1028-Y1161 HydrophobicContact CG2-CE1 4.21Å; V1031-Y1161 HydrophobicContact CB-CD1 3.98Å; V1031-Y1161 HydrophobicContact CB-CE1 4.11Å; V1031-Y1161 HydrophobicContact CB-CG 4.23Å; V1031-Y1161 HydrophobicContact CG1-CD1 4Å; V1031-Y1161 HydrophobicContact CG1-CD2 3.82Å; V1031-Y1161 HydrophobicContact CG1-CE1 4.24Å; V1031-Y1161 HydrophobicContact CG1-CE2 4.1Å; V1031-Y1161 HydrophobicContact CG1-CG 3.74Å; V1031-Y1161 HydrophobicContact CG2-CD1 4.27Å; V1031-Y1161 HydrophobicContact CG2-CE1 3.88Å; L1157-Y1161 HydrophobicContact CD1-CD2 3.55Å; L1157-Y1161 HydrophobicContact CD1-CE2 3.35Å; L1157-Y1161 HydrophobicContact CG-CD2 4.17Å; L1157-Y1161 HydrophobicContact CG-CE2 4.37Å; L1157-Y1161 WeakPolarHBondContact O-CB 3.4Å; L1157-Y1161 VanDerWaalsContact O-CD2 3.31Å; L1157-Y1161 WeakPolarHBondContact O-CD2 3.4Å; L1157-Y1161 PolarHBondContact O-N 2.96Å; S1158-Y1161 PolarHBondContact O-N 3.38Å; I1159-Y1161 PolarHBondContact O-N 3.02Å; Y1161-L1163 VanDerWaalsContact C-N 3.3Å; Y1161-L1163 PolarHBondContact O-N 3.37Å; Y1161-Q1164 PolarHBondContact O-N 3.4Å; Y1161-L1165 PolarHBondContact O-N 3.11Å
1162A88.2Confident85.8Confident0 Ų020.5 Ų20.50%010%0.104CC..Hα-helixtrans-60.1-39.5174.200000112I1032 V1135 A1138 S1158 I1159 Q1164 L1165I1032-A1162 HydrophobicContact CD1-CB 4.16Å; V1135-A1162 HydrophobicContact CG2-CB 4.41Å; A1138-A1162 HydrophobicContact CB-CB 3.66Å; S1158-A1162 WeakPolarHBondContact O-CB 3.48Å; S1158-A1162 PolarHBondContact O-N 3.46Å; I1159-A1162 PolarHBondContact O-N 3.42Å; A1162-Q1164 PolarHBondContact O-N 2.89Å; A1162-L1165 WeakPolarHBondContact O-CB 3.24Å; A1162-L1165 PolarHBondContact O-N 3.12Å
1163L84.8Confident85.3Confident38 Ų3820.7 Ų20.720%0.19910%0.104CC..Hα-helixtrans-58.7-31.1173.7-78.8174.7000113.1M276 V1135 I1159 Y1161M276-L1163 HydrophobicContact CE-CD1 3.78Å; M276-L1163 HydrophobicContact CE-CD2 3.53Å; M276-L1163 HydrophobicContact CE-CG 3.78Å; V1135-L1163 HydrophobicContact CG1-CD2 4.04Å; V1135-L1163 HydrophobicContact CG2-CD2 4.19Å; I1159-L1163 WeakPolarHBondContact O-CG 3.39Å; I1159-L1163 PolarHBondContact O-N 2.95Å; Y1161-L1163 VanDerWaalsContact C-N 3.3Å; Y1161-L1163 PolarHBondContact O-N 3.37Å
1164Q85.7Confident84.7Confident52 Ų5227.3 Ų27.324%0.24313%0.129CC..Hα-helixtrans-87.3-24.1179.8-67.8173.366.100112.9S1160 Y1161 A1162 T1166 Q1167 A1168S1160-Q1164 WeakPolarHBondContact O-CG 3.39Å; S1160-Q1164 PolarHBondContact O-NE2 2.86Å; Y1161-Q1164 PolarHBondContact O-N 3.4Å; A1162-Q1164 PolarHBondContact O-N 2.89Å; Q1164-T1166 VanDerWaalsContact C-N 3.3Å; Q1164-T1166 PolarHBondContact O-N 3.39Å; Q1164-Q1167 PolarHBondContact O-N 3.46Å; Q1164-A1168 PolarHBondContact O-N 3.26Å
1165L84.7Confident84.5Confident0 Ų025.5 Ų25.50%012%0.119CC..Hα-helixtrans-55.5-43.9-173.6-17955.2000112.4V1028 L1029 I1032 F1039 F1043 L1134 Y1161 A1162 Q1167 A1168 L1169V1028-L1165 HydrophobicContact CB-CD1 4.42Å; V1028-L1165 HydrophobicContact CG1-CB 3.77Å; V1028-L1165 HydrophobicContact CG1-CD1 3.82Å; V1028-L1165 HydrophobicContact CG1-CG 4.28Å; L1029-L1165 HydrophobicContact CD2-CD1 3.78Å; L1029-L1165 HydrophobicContact CD2-CD2 4.01Å; L1029-L1165 HydrophobicContact CG-CD1 4.19Å; I1032-L1165 HydrophobicContact CD1-CD2 4.17Å; F1039-L1165 HydrophobicContact CE1-CD2 4.42Å; F1039-L1165 HydrophobicContact CZ-CD2 4.22Å; F1043-L1165 HydrophobicContact CE2-CD2 4.46Å; L1134-L1165 HydrophobicContact CD1-CD2 3.63Å; L1134-L1165 HydrophobicContact CD1-CG 4.32Å; Y1161-L1165 PolarHBondContact O-N 3.11Å; A1162-L1165 WeakPolarHBondContact O-CB 3.24Å; A1162-L1165 PolarHBondContact O-N 3.12Å; L1165-Q1167 VanDerWaalsContact C-N 3.31Å; L1165-Q1167 PolarHBondContact O-N 2.91Å; L1165-A1168 PolarHBondContact O-N 3.48Å; L1165-L1169 HydrophobicContact CD1-CD1 3.95Å; L1165-L1169 HydrophobicContact CD1-CG 3.91Å; L1165-L1169 HydrophobicContact CG-CD1 3.96Å; L1165-L1169 HydrophobicContact CG-CG 4.37Å; L1165-L1169 WeakPolarHBondContact O-CB 3.46Å; L1165-L1169 WeakPolarHBondContact O-CG 3.46Å; L1165-L1169 PolarHBondContact O-N 2.94Å
1166T79.4Confident84.2Confident14 Ų1429.3 Ų29.39%0.08614%0.138CC..Hα-helixtrans-57.9-44.2177.3-47.40000111.9E1128 G1131 Q1164 N1170E1128-T1166 HydrophobicContact CG-CG2 4.37Å; G1131-T1166 WeakPolarHBondContact CA-OG1 3.24Å; Q1164-T1166 VanDerWaalsContact C-N 3.3Å; Q1164-T1166 PolarHBondContact O-N 3.39Å; T1166-N1170 VanDerWaalsContact O-CB 3.27Å; T1166-N1170 WeakPolarHBondContact O-CB 3.28Å; T1166-N1170 VanDerWaalsContact O-CG 3.26Å; T1166-N1170 PolarHBondContact O-N 3.05Å; T1166-N1170 PolarHBondContact O-ND2 3.04Å
1167Q81.7Confident83.5Confident123 Ų12332 Ų3258%0.57516%0.157SC*.Hα-helixtrans-70.6-40.7179.2-62.6-1773.600111.3Q1164 L1165 N1170 H1171Q1164-Q1167 PolarHBondContact O-N 3.46Å; L1165-Q1167 VanDerWaalsContact C-N 3.31Å; L1165-Q1167 PolarHBondContact O-N 2.91Å; Q1167-N1170 PolarHBondContact O-N 2.92Å; Q1167-H1171 VanDerWaalsContact O-CB 3.31Å; Q1167-H1171 WeakPolarHBondContact O-CB 3.44Å; Q1167-H1171 PolarHBondContact O-N 2.96Å
1168A85.9Confident83Confident4 Ų436 Ų363%0.03318%0.176CC..Hα-helixtrans-61.7-47.6177.200000111.4V1025 Q1164 L1165 H1171 S1172V1025-A1168 HydrophobicContact CG2-CB 3.84Å; Q1164-A1168 PolarHBondContact O-N 3.26Å; L1165-A1168 PolarHBondContact O-N 3.48Å; A1168-H1171 PolarHBondContact O-N 3.29Å; A1168-S1172 WeakPolarHBondContact O-CB 2.97Å; A1168-S1172 PolarHBondContact O-N 3.27Å; A1168-S1172 PolarHBondContact O-OG 3.4Å
1169L81.9Confident82.8Confident18 Ų1836.5 Ų36.59%0.09418%0.178CC..Hα-helixtrans-62.2-47.3175.9-73.2172.4000111.7V1025 Y1050 L1165 H1171 S1172 V1173V1025-L1169 HydrophobicContact CG1-CD2 3.81Å; V1025-L1169 HydrophobicContact CG2-CD2 4.17Å; Y1050-L1169 HydrophobicContact CE2-CB 4.04Å; Y1050-L1169 HydrophobicContact CE2-CD1 4.39Å; Y1050-L1169 PolarHBondContact OH-O 3.2Å; L1165-L1169 HydrophobicContact CD1-CD1 3.95Å; L1165-L1169 HydrophobicContact CD1-CG 3.91Å; L1165-L1169 HydrophobicContact CG-CD1 3.96Å; L1165-L1169 HydrophobicContact CG-CG 4.37Å; L1165-L1169 WeakPolarHBondContact O-CB 3.46Å; L1165-L1169 WeakPolarHBondContact O-CG 3.46Å; L1165-L1169 PolarHBondContact O-N 2.94Å; L1169-H1171 VanDerWaalsContact C-N 3.3Å; L1169-H1171 PolarHBondContact O-N 3.44Å; L1169-S1172 PolarHBondContact O-N 3.45Å; L1169-V1173 WeakPolarHBondContact O-CG2 3.25Å; L1169-V1173 PolarHBondContact O-N 3.39Å
1170N76.6Confident82.4Confident19 Ų1939.8 Ų39.810%0.10219%0.193CC..Hα-helixtrans-59.9-40.7177-82.1-37.3000111.9Y1050 L1127 T1166 Q1167 R1174Y1050-N1170 PolarHBondContact OH-N 3.04Å; L1127-N1170 WeakPolarHBondContact CB-OD1 3.48Å; L1127-N1170 WeakPolarHBondContact CD1-OD1 3.37Å; T1166-N1170 VanDerWaalsContact O-CB 3.27Å; T1166-N1170 WeakPolarHBondContact O-CB 3.28Å; T1166-N1170 VanDerWaalsContact O-CG 3.26Å; T1166-N1170 PolarHBondContact O-N 3.05Å; T1166-N1170 PolarHBondContact O-ND2 3.04Å; Q1167-N1170 PolarHBondContact O-N 2.92Å; N1170-R1174 WeakPolarHBondContact O-CG 3.45Å; N1170-R1174 PolarHBondContact O-N 2.93Å; N1170-R1174 PolarHBondContact O-NE 3.04Å
1171H81.2Confident81.9Confident60 Ų6043.8 Ų43.828%0.27822%0.218SC..Hα-helixtrans-67.7-43.4176.1-17062000111.6S1021 Q1167 A1168 L1169 V1173 R1174 M1175S1021-H1171 PolarHBondContact OG-CD2 3.34Å; Q1167-H1171 VanDerWaalsContact O-CB 3.31Å; Q1167-H1171 WeakPolarHBondContact O-CB 3.44Å; Q1167-H1171 PolarHBondContact O-N 2.96Å; A1168-H1171 PolarHBondContact O-N 3.29Å; L1169-H1171 VanDerWaalsContact C-N 3.3Å; L1169-H1171 PolarHBondContact O-N 3.44Å; H1171-V1173 PolarHBondContact O-N 2.87Å; H1171-R1174 PolarHBondContact O-N 3.4Å; H1171-R1174 VanDerWaalsContact O-N 3.13Å; H1171-M1175 WeakPolarHBondContact O-CG 3.27Å; H1171-M1175 PolarHBondContact O-N 3.37Å
1172S83.6Confident81.7Confident8 Ų844.5 Ų44.56%0.05622%0.223CC..Hα-helixtrans-59.6-43178.2-78.90000113.1S1021 M1022 V1025 A1168 L1169 M1175 M1176S1021-S1172 VanDerWaalsContact C-OG 3.27Å; S1021-S1172 WeakPolarHBondContact CB-OG 3.32Å; S1021-S1172 PolarHBondContact O-OG 3.16Å; S1021-S1172 WeakPolarHBondContact OG-CA 3.5Å; S1021-S1172 WeakPolarHBondContact OG-CB 3.17Å; S1021-S1172 PolarHBondContact OG-N 2.96Å; S1021-S1172 PolarHBondContact OG-OG 3.33Å; M1022-S1172 VanDerWaalsContact CE-CB 3.48Å; M1022-S1172 WeakPolarHBondContact CE-O 3.34Å; V1025-S1172 WeakPolarHBondContact CG2-OG 3.49Å; A1168-S1172 WeakPolarHBondContact O-CB 2.97Å; A1168-S1172 PolarHBondContact O-N 3.27Å; A1168-S1172 PolarHBondContact O-OG 3.4Å; L1169-S1172 PolarHBondContact O-N 3.45Å; S1172-M1175 PolarHBondContact O-N 3.5Å; S1172-M1176 WeakPolarHBondContact O-CB 3.49Å; S1172-M1176 PolarHBondContact O-N 2.95Å
1173V74.9Confident81.8Confident26 Ų2644.6 Ų44.616%0.15822%0.223CC..Hα-helixtrans-61-46.5174165.60000111.7Y1050 Q1054 L1169 H1171 M1176 S1177Y1050-V1173 HydrophobicContact CE1-CG2 3.52Å; Y1050-V1173 WeakPolarHBondContact OH-CG2 3.48Å; Q1054-V1173 HydrophobicContact CG-CG1 4.05Å; Q1054-V1173 VanDerWaalsContact NE2-CG1 3.26Å; Q1054-V1173 VanDerWaalsContact OE1-CG2 3.28Å; L1169-V1173 WeakPolarHBondContact O-CG2 3.25Å; L1169-V1173 PolarHBondContact O-N 3.39Å; H1171-V1173 PolarHBondContact O-N 2.87Å; V1173-M1176 PolarHBondContact O-N 2.85Å; V1173-S1177 PolarHBondContact O-N 3.45Å; V1173-S1177 VanDerWaalsContact O-N 3.09Å
1174R76.8Confident81.8Confident140 Ų14044.8 Ų44.853%0.52823%0.226SC..Hα-helixtrans-61.9-45.7178.5-73.7-178.1-69.3-121.42.2111.4N1170 H1171 M1176 S1177 E1178N1170-R1174 WeakPolarHBondContact O-CG 3.45Å; N1170-R1174 PolarHBondContact O-N 2.93Å; N1170-R1174 PolarHBondContact O-NE 3.04Å; H1171-R1174 PolarHBondContact O-N 3.4Å; H1171-R1174 VanDerWaalsContact O-N 3.13Å; R1174-M1176 PolarHBondContact O-N 2.92Å; R1174-S1177 PolarHBondContact O-N 3.34Å; R1174-E1178 PolarHBondContact O-N 3.07Å
1175M85.6Confident81.9Confident16 Ų1642.7 Ų42.78%0.07922%0.217CC..Hα-helixtrans-66.4-35178.9-65.9-58.992.300112.8M1017 W1018 H1171 S1172 E1178 L1179M1017-M1175 HydrophobicContact CB-CG 4.37Å; M1017-M1175 HydrophobicContact CB-SD 3.56Å; M1017-M1175 VanDerWaalsContact CB-SD 3.56Å; W1018-M1175 HydrophobicContact CB-CB 4.26Å; H1171-M1175 WeakPolarHBondContact O-CG 3.27Å; H1171-M1175 PolarHBondContact O-N 3.37Å; S1172-M1175 PolarHBondContact O-N 3.5Å; M1175-E1178 WeakPolarHBondContact CE-OE2 3.35Å; M1175-E1178 PolarHBondContact O-N 3.19Å; M1175-L1179 WeakPolarHBondContact O-CB 3.44Å; M1175-L1179 PolarHBondContact O-N 3.25Å
1176M81.9Confident82.2Confident80 Ų8042.7 Ų42.739%0.39422%0.217SC..Hα-helixtrans-62.6-46.3173.3-175.865.9-177.500111.2W1018 S1172 V1173 R1174 E1178 L1179 E1180W1018-M1176 PolarHBondContact NE1-SD 2.9Å; W1018-M1176 VanDerWaalsContact NE1-SD 3.37Å; S1172-M1176 WeakPolarHBondContact O-CB 3.49Å; S1172-M1176 PolarHBondContact O-N 2.95Å; V1173-M1176 PolarHBondContact O-N 2.85Å; R1174-M1176 PolarHBondContact O-N 2.92Å; M1176-E1178 VanDerWaalsContact C-N 3.31Å; M1176-E1178 PolarHBondContact O-N 2.73Å; M1176-L1179 PolarHBondContact O-N 3.24Å; M1176-E1180 WeakPolarHBondContact O-CB 3.27Å; M1176-E1180 PolarHBondContact O-N 3.03Å
1177S72.6Confident82.6Confident56 Ų5644.1 Ų44.139%0.39222%0.223SC..Hα-helixtrans-63.1-37.8176.6-173.10000112.2V1173 R1174 T1181V1173-S1177 PolarHBondContact O-N 3.45Å; V1173-S1177 VanDerWaalsContact O-N 3.09Å; R1174-S1177 PolarHBondContact O-N 3.34Å; S1177-T1181 WeakPolarHBondContact O-CB 3.44Å; S1177-T1181 PolarHBondContact O-N 3.43Å; S1177-T1181 PolarHBondContact O-OG1 2.93Å
1178E81.6Confident82.9Confident86 Ų8641.6 Ų41.640%0.40221%0.208SC..Hα-helixtrans-69.2-39.6178.3-167.9169.2177.600111.6T1014 R1174 M1175 M1176 T1181 N1182T1014-E1178 HydrophobicContact CG2-CB 4Å; T1014-E1178 HydrophobicContact CG2-CG 3.84Å; R1174-E1178 PolarHBondContact O-N 3.07Å; M1175-E1178 WeakPolarHBondContact CE-OE2 3.35Å; M1175-E1178 PolarHBondContact O-N 3.19Å; M1176-E1178 VanDerWaalsContact C-N 3.31Å; M1176-E1178 PolarHBondContact O-N 2.73Å; E1178-T1181 PolarHBondContact O-N 3.38Å; E1178-N1182 WeakPolarHBondContact O-CB 3.28Å; E1178-N1182 PolarHBondContact O-N 3.4Å; E1178-N1182 PolarHBondContact O-ND2 3.34Å
1179L84.9Confident83.1Confident11 Ų1141.5 Ų41.56%0.05821%0.207CC..Hα-helixtrans-63.1-47.5174.9-178.860.8000111.6Y887 T1014 V1015 W1018 M1175 M1176 T1181 N1182 I1183Y887-L1179 HydrophobicContact CE1-CD2 4.47Å; Y887-L1179 HydrophobicContact CE1-CG 4.39Å; T1014-L1179 VanDerWaalsContact CG2-CA 3.45Å; T1014-L1179 HydrophobicContact CG2-CB 3.87Å; T1014-L1179 HydrophobicContact CG2-CD1 4.26Å; T1014-L1179 VanDerWaalsContact CG2-N 3.33Å; V1015-L1179 HydrophobicContact CG2-CD1 3.61Å; W1018-L1179 HydrophobicContact CB-CD2 4.3Å; W1018-L1179 HydrophobicContact CD2-CD2 3.7Å; W1018-L1179 HydrophobicContact CE3-CD2 4.12Å; W1018-L1179 HydrophobicContact CG-CD2 3.76Å; M1175-L1179 WeakPolarHBondContact O-CB 3.44Å; M1175-L1179 PolarHBondContact O-N 3.25Å; M1176-L1179 PolarHBondContact O-N 3.24Å; L1179-T1181 PolarHBondContact O-N 3.4Å; L1179-N1182 PolarHBondContact O-N 3.14Å; L1179-I1183 WeakPolarHBondContact O-CB 3.39Å; L1179-I1183 WeakPolarHBondContact O-CG2 3.15Å; L1179-I1183 PolarHBondContact O-N 2.88Å
1180E80.2Confident83.5Confident69 Ų6943.8 Ų43.832%0.32222%0.219SC..Hα-helixtrans-61.2-33176.8-172.5175.2-164.600111.8V882 M1176 I1183 V1184V882-E1180 HydrophobicContact CG2-CG 4.39Å; M1176-E1180 WeakPolarHBondContact O-CB 3.27Å; M1176-E1180 PolarHBondContact O-N 3.03Å; E1180-I1183 WeakPolarHBondContact O-CG2 3.44Å; E1180-V1184 WeakPolarHBondContact O-CG2 3.48Å
1181T78.2Confident84Confident87 Ų8748 Ų4853%0.53424%0.238SC..Hα-helixtrans-73.6-45.9176.6-57.40000111.8S1177 E1178 L1179S1177-T1181 WeakPolarHBondContact O-CB 3.44Å; S1177-T1181 PolarHBondContact O-N 3.43Å; S1177-T1181 PolarHBondContact O-OG1 2.93Å; E1178-T1181 PolarHBondContact O-N 3.38Å; L1179-T1181 PolarHBondContact O-N 3.4Å
1182N86.1Confident84.3Confident27 Ų2745.6 Ų45.614%0.14423%0.227CC..Hα-helixtrans-73.9-31.6-174.3-73.5-28.6000112.7V1006 I1011 T1014 E1178 L1179 V1184 S1185V1006-N1182 HydrophobicContact CG1-CB 4.02Å; V1006-N1182 WeakPolarHBondContact CG1-O 3.47Å; I1011-N1182 HydrophobicContact CG1-CB 4.02Å; T1014-N1182 PolarHBondContact OG1-ND2 3.2Å; E1178-N1182 WeakPolarHBondContact O-CB 3.28Å; E1178-N1182 PolarHBondContact O-N 3.4Å; E1178-N1182 PolarHBondContact O-ND2 3.34Å; L1179-N1182 PolarHBondContact O-N 3.14Å; N1182-V1184 PolarHBondContact O-N 3.2Å; N1182-S1185 VanDerWaalsContact O-CB 3.32Å; N1182-S1185 WeakPolarHBondContact O-CB 3.2Å; N1182-S1185 PolarHBondContact O-N 3.06Å; N1182-S1185 VanDerWaalsContact O-N 3.14Å; N1182-S1185 PolarHBondContact O-OG 3.43Å; N1182-S1185 VanDerWaalsContact O-OG 3.12Å
1183I89.2Confident84.6Confident3 Ų345.9 Ų45.92%0.01523%0.229CC..Hα-helixtrans-66.9-21.5179.7-163.767.6000113.2V882 V886 Y887 Y890 I1011 L1179 E1180 S1185 V1186 E1187V882-I1183 HydrophobicContact CB-CG2 4Å; V882-I1183 HydrophobicContact CG1-CG1 4.47Å; V882-I1183 HydrophobicContact CG1-CG2 3.85Å; V882-I1183 HydrophobicContact CG2-CG2 3.61Å; V886-I1183 HydrophobicContact CG1-CD1 4.45Å; V886-I1183 HydrophobicContact CG1-CG1 3.94Å; Y887-I1183 HydrophobicContact CD1-CD1 4.36Å; Y887-I1183 HydrophobicContact CD1-CG1 4.11Å; Y887-I1183 HydrophobicContact CE1-CB 4.29Å; Y887-I1183 HydrophobicContact CE1-CG1 3.96Å; Y887-I1183 HydrophobicContact CE1-CG2 4.17Å; Y890-I1183 HydrophobicContact CG-CD1 4.5Å; I1011-I1183 HydrophobicContact CD1-CD1 4.49Å; L1179-I1183 WeakPolarHBondContact O-CB 3.39Å; L1179-I1183 WeakPolarHBondContact O-CG2 3.15Å; L1179-I1183 PolarHBondContact O-N 2.88Å; E1180-I1183 WeakPolarHBondContact O-CG2 3.44Å; I1183-S1185 PolarHBondContact O-N 3.49Å; I1183-S1185 VanDerWaalsContact O-N 3.13Å; I1183-V1186 HydrophobicContact CD1-CB 4.04Å; I1183-V1186 HydrophobicContact CD1-CG1 4.47Å; I1183-V1186 HydrophobicContact CD1-CG2 3.92Å; I1183-V1186 WeakPolarHBondContact O-CB 3.42Å; I1183-V1186 PolarHBondContact O-N 3.43Å; I1183-E1187 PolarHBondContact O-N 3.34Å
1184V84.8Confident85Confident42 Ų4249.1 Ų49.126%0.25525%0.252SS..Hα-helixtrans-56.9-29173.1177.90000111.2V882 E1180 N1182 V1186 E1187 R1188V882-V1184 HydrophobicContact CG2-CG2 3.8Å; E1180-V1184 WeakPolarHBondContact O-CG2 3.48Å; N1182-V1184 PolarHBondContact O-N 3.2Å; V1184-V1186 VanDerWaalsContact C-N 3.32Å; V1184-V1186 PolarHBondContact O-N 3.47Å; V1184-E1187 WeakPolarHBondContact O-CB 3.5Å; V1184-E1187 PolarHBondContact O-N 2.95Å; V1184-R1188 HydrophobicContact CG1-CG 4.41Å; V1184-R1188 WeakPolarHBondContact O-CD 3.16Å; V1184-R1188 WeakPolarHBondContact O-CG 3.21Å; V1184-R1188 PolarHBondContact O-N 3.28Å
1185S88.1Confident85.5Confident8 Ų843.8 Ų43.86%0.05624%0.235CC..Hα-helixtrans-64.8-35.2175.1-48.40000112.1V1006 N1182 I1183 V1189V1006-S1185 VanDerWaalsContact CG1-OG 3.22Å; V1006-S1185 WeakPolarHBondContact CG1-OG 3.39Å; N1182-S1185 VanDerWaalsContact O-CB 3.32Å; N1182-S1185 WeakPolarHBondContact O-CB 3.2Å; N1182-S1185 PolarHBondContact O-N 3.06Å; N1182-S1185 VanDerWaalsContact O-N 3.14Å; N1182-S1185 PolarHBondContact O-OG 3.43Å; N1182-S1185 VanDerWaalsContact O-OG 3.12Å; I1183-S1185 PolarHBondContact O-N 3.49Å; I1183-S1185 VanDerWaalsContact O-N 3.13Å; S1185-V1189 WeakPolarHBondContact O-CB 3.32Å; S1185-V1189 VanDerWaalsContact O-CG2 3.27Å; S1185-V1189 WeakPolarHBondContact O-CG2 3.41Å; S1185-V1189 PolarHBondContact O-N 3.26Å
1186V90.6Very high85.3Confident0 Ų050.9 Ų50.90%027%0.268CS..Hα-helixtrans-68.1-42.5174.2169.10000110.6V886 Y890 M972 V1007 I1011 I1183 V1184 R1188 V1189 N1190V886-V1186 HydrophobicContact CG1-CB 4.09Å; V886-V1186 HydrophobicContact CG1-CG1 3.76Å; Y890-V1186 HydrophobicContact CD2-CG1 4.29Å; Y890-V1186 HydrophobicContact CD2-CG2 3.74Å; Y890-V1186 HydrophobicContact CE2-CG2 4.09Å; Y890-V1186 HydrophobicContact CG-CG2 4.39Å; M972-V1186 HydrophobicContact CE-CB 4.22Å; M972-V1186 HydrophobicContact CE-CG1 3.73Å; M972-V1186 HydrophobicContact CE-CG2 4.22Å; V1007-V1186 HydrophobicContact CG2-CG2 3.74Å; I1011-V1186 HydrophobicContact CD1-CG2 3.41Å; I1011-V1186 VanDerWaalsContact CD1-CG2 3.41Å; I1183-V1186 HydrophobicContact CD1-CB 4.04Å; I1183-V1186 HydrophobicContact CD1-CG1 4.47Å; I1183-V1186 HydrophobicContact CD1-CG2 3.92Å; I1183-V1186 WeakPolarHBondContact O-CB 3.42Å; I1183-V1186 PolarHBondContact O-N 3.43Å; V1184-V1186 VanDerWaalsContact C-N 3.32Å; V1184-V1186 PolarHBondContact O-N 3.47Å; V1186-R1188 VanDerWaalsContact C-N 3.35Å; V1186-R1188 PolarHBondContact O-N 3.23Å; V1186-V1189 PolarHBondContact O-N 2.91Å; V1186-N1190 VanDerWaalsContact O-CB 3.24Å; V1186-N1190 WeakPolarHBondContact O-CB 3.44Å; V1186-N1190 PolarHBondContact O-N 3.19Å
1187E88.5Confident85.5Confident43 Ų4352.6 Ų52.620%0.20127%0.273CS..Hα-helixtrans-58-48.4176.3-175.3169.7-151.900111.2V886 I1183 V1184 N1190 E1191V886-E1187 HydrophobicContact CG1-CB 3.96Å; V886-E1187 HydrophobicContact CG2-CB 4.02Å; V886-E1187 HydrophobicContact CG2-CG 4.01Å; I1183-E1187 PolarHBondContact O-N 3.34Å; V1184-E1187 WeakPolarHBondContact O-CB 3.5Å; V1184-E1187 PolarHBondContact O-N 2.95Å; E1187-N1190 PolarHBondContact O-N 2.98Å; E1187-E1191 PolarHBondContact O-N 3.31Å
1188R87.9Confident86.4Confident71 Ų7151.5 Ų51.527%0.26826%0.262SS..Hα-helixtrans-64.8-40.6178.4-73.5163.1160.3-177-0.3113.8E875 R999 V1184 V1186 N1190 E1191 Y1192E875-R1188 IonicContact OE1-CZ 2.79Å; E875-R1188 VanDerWaalsContact OE1-CZ 3.3Å; E875-R1188 IonicContact OE1-NE 2.87Å; E875-R1188 PolarHBondContact OE1-NE 3.43Å; E875-R1188 IonicContact OE1-NH2 2.97Å; E875-R1188 PolarHBondContact OE1-NH2 2.71Å; R999-R1188 VanDerWaalsContact NH1-CD 3.3Å; V1184-R1188 HydrophobicContact CG1-CG 4.41Å; V1184-R1188 WeakPolarHBondContact O-CD 3.16Å; V1184-R1188 WeakPolarHBondContact O-CG 3.21Å; V1184-R1188 PolarHBondContact O-N 3.28Å; V1186-R1188 VanDerWaalsContact C-N 3.35Å; V1186-R1188 PolarHBondContact O-N 3.23Å; R1188-N1190 VanDerWaalsContact C-N 3.3Å; R1188-E1191 WeakPolarHBondContact O-CB 3.4Å; R1188-E1191 PolarHBondContact O-N 2.99Å; R1188-Y1192 WeakPolarHBondContact O-CD2 3.38Å; R1188-Y1192 PolarHBondContact O-N 3.02Å
1189V90.3Very high86.6Confident1 Ų149.2 Ų49.21%0.00626%0.257CS..Hα-helixtrans-64.2-41173.9167.50000110.2M972 L976 D1003 V1004 S1185 V1186 Y1192 S1193M972-V1189 HydrophobicContact CB-CG1 4.35Å; M972-V1189 HydrophobicContact CE-CB 4.1Å; M972-V1189 HydrophobicContact CE-CG1 3.76Å; L976-V1189 HydrophobicContact CB-CG1 4.39Å; L976-V1189 HydrophobicContact CD2-CG1 4.16Å; D1003-V1189 HydrophobicContact CB-CG2 3.87Å; V1004-V1189 HydrophobicContact CG2-CG2 4.26Å; S1185-V1189 WeakPolarHBondContact O-CB 3.32Å; S1185-V1189 VanDerWaalsContact O-CG2 3.27Å; S1185-V1189 WeakPolarHBondContact O-CG2 3.41Å; S1185-V1189 PolarHBondContact O-N 3.26Å; V1186-V1189 PolarHBondContact O-N 2.91Å; V1189-Y1192 PolarHBondContact O-N 3.27Å; V1189-S1193 WeakPolarHBondContact O-CB 3.27Å; V1189-S1193 PolarHBondContact O-N 3.15Å; V1189-S1193 PolarHBondContact O-OG 2.82Å
1190N89.5Confident86.8Confident66 Ų6655.2 Ų55.235%0.35329%0.285SS..Hα-helixtrans-69-35.2-180-167.769.1000112.4V1186 E1187 R1188 S1193 C1194V1186-N1190 VanDerWaalsContact O-CB 3.24Å; V1186-N1190 WeakPolarHBondContact O-CB 3.44Å; V1186-N1190 PolarHBondContact O-N 3.19Å; E1187-N1190 PolarHBondContact O-N 2.98Å; R1188-N1190 VanDerWaalsContact C-N 3.3Å; N1190-S1193 WeakPolarHBondContact O-CB 3.37Å; N1190-S1193 PolarHBondContact O-N 3.13Å; N1190-C1194 PolarHBondContact O-N 3.46Å
1191E86.9Confident87.1Confident107 Ų10753.8 Ų53.850%0.528%0.277SS..Hα-helixtrans-56.1-49.1171-177.9-168.917300111.2E1187 R1188 S1193 C1194E1187-E1191 PolarHBondContact O-N 3.31Å; R1188-E1191 WeakPolarHBondContact O-CB 3.4Å; R1188-E1191 PolarHBondContact O-N 2.99Å; E1191-S1193 PolarHBondContact O-N 3.5Å; E1191-C1194 PolarHBondContact O-N 3.05Å; E1191-C1194 VanDerWaalsContact O-N 3.16Å
1192Y89.1Confident87.5Confident10 Ų1054.7 Ų54.74%0.03928%0.275CS..Hα-helixtrans-76.4-12.9-179.5-79-121.9000113.1L976 N979 F987 T991 R995 I996 R999 R1188 V1189 C1194L976-Y1192 VanDerWaalsContact CD1-CB 3.41Å; N979-Y1192 PolarHBondContact ND2-O 2.94Å; F987-Y1192 HydrophobicContact CE2-CD1 4.39Å; F987-Y1192 HydrophobicContact CE2-CE1 4.08Å; F987-Y1192 AromaticContact CZ-CD1 3.71Å; F987-Y1192 HydrophobicContact CZ-CD1 3.71Å; F987-Y1192 AromaticContact CZ-CE1 3.55Å; F987-Y1192 HydrophobicContact CZ-CE1 3.55Å; T991-Y1192 HydrophobicContact CG2-CE1 4.08Å; T991-Y1192 VanDerWaalsContact CG2-OH 3.32Å; T991-Y1192 WeakPolarHBondContact CG2-OH 3.48Å; R995-Y1192 WeakPolarHBondContact CD-OH 3.4Å; I996-Y1192 HydrophobicContact CG1-CE1 4.12Å; R999-Y1192 HydrophobicContact CB-CD1 4.48Å; R999-Y1192 HydrophobicContact CG-CD1 3.89Å; R999-Y1192 HydrophobicContact CG-CD2 4.03Å; R999-Y1192 HydrophobicContact CG-CE1 3.93Å; R999-Y1192 HydrophobicContact CG-CE2 4.15Å; R999-Y1192 HydrophobicContact CG-CG 3.95Å; R1188-Y1192 WeakPolarHBondContact O-CD2 3.38Å; R1188-Y1192 PolarHBondContact O-N 3.02Å; V1189-Y1192 PolarHBondContact O-N 3.27Å; Y1192-C1194 VanDerWaalsContact C-N 3.29Å
1193S89.7Confident87.5Confident14 Ų1454.7 Ų54.710%0.09828%0.275CS..THydrogen-bonded Turntrans-83.8-7172.4-57.70000112.6N979 V1189 N1190 E1191N979-S1193 VanDerWaalsContact ND2-C 3.32Å; V1189-S1193 WeakPolarHBondContact O-CB 3.27Å; V1189-S1193 PolarHBondContact O-N 3.15Å; V1189-S1193 PolarHBondContact O-OG 2.82Å; N1190-S1193 WeakPolarHBondContact O-CB 3.37Å; N1190-S1193 PolarHBondContact O-N 3.13Å; E1191-S1193 PolarHBondContact O-N 3.5Å
1194C83.8Confident87.3Confident95 Ų9562.5 Ų62.564%0.64232%0.317SS*.SBendtrans-129.123.9-176-65.20000113N1190 E1191 Y1192N1190-C1194 PolarHBondContact O-N 3.46Å; E1191-C1194 PolarHBondContact O-N 3.05Å; E1191-C1194 VanDerWaalsContact O-N 3.16Å; Y1192-C1194 VanDerWaalsContact C-N 3.29Å
1195T85.3Confident87.2Confident28 Ų2865 Ų6517%0.17233%0.328CS..PPolyproline II helixtrans-66.8159.3174.460.50000111.5N979 S983 F987 K1197N979-T1195 PolarHBondContact ND2-N 2.79Å; N979-T1195 PolarHBondContact ND2-OG1 2.87Å; S983-T1195 PolarHBondContact OG-OG1 3.42Å; F987-T1195 HydrophobicContact CD2-CG2 4.29Å; F987-T1195 HydrophobicContact CE2-CG2 3.84Å; F987-T1195 HydrophobicContact CZ-CG2 4.3Å; T1195-K1197 PolarHBondContact O-N 3.33Å
1196Q83Confident86.8Confident165 Ų16571.4 Ų71.477%0.77136%0.356SS*.PPolyproline II helixtrans-58.9131.5171-172.9177.36.800109.6P984P984-Q1196 WeakPolarHBondContact CD-O 3.43Å
1197K85.5Confident86.6Confident115 Ų11572.5 Ų72.550%0.536%0.363SS..PPolyproline II helixtrans-92155.8178.2-63.8176.2-178.8176.50110.1N979 R982 T1195N979-K1197 WeakPolarHBondContact OD1-CE 3.45Å; R982-K1197 CarbonylContact O-C 3.53Å; R982-K1197 WeakPolarHBondContact O-CA 3.31Å; T1195-K1197 PolarHBondContact O-N 3.33Å
1198E90.7Very high86.5Confident34 Ų3474.1 Ų74.116%0.15938%0.377CS..PPolyproline II helixtrans-59.2170165.2-65.2-166.2162.500111.1K422 R982 P984 L1287 R1291K422-E1198 WeakPolarHBondContact CD-OE1 3.37Å; K422-E1198 WeakPolarHBondContact CE-OE1 3.39Å; K422-E1198 IonicContact NZ-OE1 3.88Å; K422-E1198 PolarHBondContact NZ-OE1 2.86Å; R982-E1198 PolarHBondContact O-N 3.47Å; P984-E1198 WeakPolarHBondContact CA-OE1 3.22Å; P984-E1198 HydrophobicContact CB-CG 4.08Å; E1198-L1287 HydrophobicContact CB-CD1 3.69Å; E1198-R1291 IonicContact OE1-NH2 2.84Å; E1198-R1291 IonicContact OE2-CZ 3.16Å; E1198-R1291 IonicContact OE2-NH1 2.83Å; E1198-R1291 PolarHBondContact OE2-NH1 3.06Å; E1198-R1291 IonicContact OE2-NH2 2.77Å; E1198-R1291 PolarHBondContact OE2-NH2 3.4Å
1199A87.4Confident86.3Confident38 Ų3878.8 Ų78.831%0.31440%0.399SS..SBendtrans-52.7162.1170.100000111.8W1201 L1287A1199-W1201 PolarHBondContact O-N 2.98Å; A1199-L1287 HydrophobicContact CB-CD1 4.18Å; A1199-L1287 HydrophobicContact CB-CD2 4.42Å; A1199-L1287 HydrophobicContact CB-CG 4.23Å; A1199-L1287 VanDerWaalsContact O-CD1 3.26Å; A1199-L1287 WeakPolarHBondContact O-CD1 3.34Å
1200E88Confident86.1Confident136 Ų13685.2 Ų85.264%0.63643%0.429SS*.PPolyproline II helixtrans-54.5128.8-174.8-64.9-176.9161.200112.1E1202 N1203 G1286 L1287E1200-E1202 VanDerWaalsContact C-N 3.31Å; E1200-E1202 PolarHBondContact O-N 3.13Å; E1200-N1203 HydrophobicContact CB-CB 4.49Å; E1200-N1203 WeakPolarHBondContact OE2-CB 3.47Å; E1200-G1286 WeakPolarHBondContact O-CA 3.32Å; E1200-L1287 PolarHBondContact O-N 3.19Å; E1200-L1287 VanDerWaalsContact O-N 3.11Å
1201W86.5Confident86.1Confident40 Ų4082.6 Ų82.615%0.15241%0.414CS..SBendtrans-59.1-45.2178.8177.6-100.3000111.5A425 E427 P428 A1199 G1286 L1287 H1288A425-W1201 HydrophobicContact CB-CH2 3.85Å; E427-W1201 VanDerWaalsContact OE2-CH2 3.31Å; E427-W1201 WeakPolarHBondContact OE2-CH2 3.34Å; P428-W1201 HydrophobicContact CG-CH2 4.19Å; P428-W1201 HydrophobicContact CG-CZ2 3.64Å; A1199-W1201 PolarHBondContact O-N 2.98Å; W1201-G1286 CarbonylContact O-C 3.56Å; W1201-L1287 PolarHBondContact O-N 3.11Å; W1201-H1288 HydrophobicContact CD2-CB 3.89Å; W1201-H1288 AromaticContact CE2-CD2 3.83Å; W1201-H1288 AromaticContact CE2-CG 3.82Å; W1201-H1288 HydrophobicContact CE3-CB 4.41Å; W1201-H1288 HydrophobicContact CG-CB 4.3Å; W1201-H1288 HydrophobicContact CH2-CB 4.34Å; W1201-H1288 AromaticContact CH2-CD2 3.98Å; W1201-H1288 HydrophobicContact CZ2-CB 3.78Å; W1201-H1288 AromaticContact CZ2-CD2 3.29Å; W1201-H1288 WeakPolarHBondContact CZ2-CD2 3.4Å; W1201-H1288 AromaticContact CZ2-CG 3.76Å; W1201-H1288 AromaticContact NE1-CG 3.84Å; W1201-H1288 VanDerWaalsContact O-CB 3.28Å; W1201-H1288 WeakPolarHBondContact O-CB 3.34Å; W1201-H1288 PolarHBondContact O-N 2.96Å
1202E86.5Confident86.3Confident105 Ų10577.8 Ų77.849%0.49139%0.392SS..SBendtrans-132.6141.8172.2-75.9178.9-15700108.2E1200 H1288E1200-E1202 VanDerWaalsContact C-N 3.31Å; E1200-E1202 PolarHBondContact O-N 3.13Å; E1202-H1288 HydrophobicContact CG-CB 4.49Å
1203N86.2Confident86.3Confident28 Ų2884 Ų8415%0.1542%0.422CS..  trans-135.4175.5173.967-2.6000110.3E1200 N1205 I1284 G1286E1200-N1203 HydrophobicContact CB-CB 4.49Å; E1200-N1203 WeakPolarHBondContact OE2-CB 3.47Å; N1203-N1205 PolarHBondContact O-N 3.44Å; N1203-N1205 PolarHBondContact OD1-N 2.86Å; N1203-N1205 PolarHBondContact OD1-O 3.15Å; N1203-I1284 PolarHBondContact ND2-O 3.48Å; N1203-G1286 PolarHBondContact ND2-N 3.14Å; N1203-G1286 PolarHBondContact OD1-N 3.03Å
1204D84.6Confident86.3Confident166 Ų16690.5 Ų90.589%0.88845%0.448SS*.SBendtrans-68.3-19.5-178.3-66.9-28.6000113.1K1206D1204-K1206 VanDerWaalsContact C-N 3.34Å; D1204-K1206 PolarHBondContact O-N 2.91Å
1205N82.6Confident86.6Confident94 Ų9486 Ų8650%0.50342%0.417SS..  trans-83.769.6-178.8-65-32.1000112N1203 I1284N1203-N1205 PolarHBondContact O-N 3.44Å; N1203-N1205 PolarHBondContact OD1-N 2.86Å; N1203-N1205 PolarHBondContact OD1-O 3.15Å; N1205-I1284 WeakPolarHBondContact CB-O 3.35Å; N1205-I1284 PolarHBondContact ND2-O 2.96Å
1206K81Confident87Confident144 Ų14485.2 Ų85.263%0.62642%0.416SS*.PPolyproline II helixtrans-78.4127.3176.4-67.9-177.2-179.9179.90110.8D1204D1204-K1206 VanDerWaalsContact C-N 3.34Å; D1204-K1206 PolarHBondContact O-N 2.91Å
1207P86Confident87.6Confident23 Ų2377.4 Ų77.415%0.14938%0.379CS..PPolyproline II helixtrans-70.1163.4175.431.4-31.9000110.1W1211 I1280 L1285P1207-W1211 HydrophobicContact CB-CB 4.02Å; P1207-W1211 HydrophobicContact CB-CD2 4.08Å; P1207-W1211 HydrophobicContact CB-CE3 4.17Å; P1207-W1211 HydrophobicContact CB-CG 4.05Å; P1207-W1211 HydrophobicContact CG-CE3 4.14Å; P1207-I1280 HydrophobicContact CB-CD1 4.35Å; P1207-L1285 HydrophobicContact CB-CD2 4.03Å; P1207-L1285 HydrophobicContact CG-CD2 4.09Å
1208P87Confident88Confident77 Ų7776.4 Ų76.450%0.538%0.376SS..PPolyproline II helixtrans-51.5151.1170.7-25.234.2000112E1210 W1211P1208-E1210 PolarHBondContact O-N 3.01Å; P1208-E1210 VanDerWaalsContact O-N 3.17Å; P1208-W1211 HydrophobicContact CB-CB 4.44Å; P1208-W1211 WeakPolarHBondContact O-CB 3.25Å; P1208-W1211 PolarHBondContact O-N 3.16Å
1209K83Confident88.3Confident169 Ų16974.8 Ų74.874%0.73537%0.369SS*.THydrogen-bonded Turntrans-63.2-27-175.4-74.6-174.9179.1179.30112.8R1293K1209-R1293 PolarHBondContact O-NH1 2.92Å; K1209-R1293 PolarHBondContact O-NH2 3.42Å
1210E84.8Confident88.6Confident136 Ų13676.1 Ų76.164%0.63637%0.371SS*.THydrogen-bonded Turntrans-88.1-6.1-178.8-56.773-15700112.7P1208 P1212 E1213P1208-E1210 PolarHBondContact O-N 3.01Å; P1208-E1210 VanDerWaalsContact O-N 3.17Å; E1210-P1212 CarbonylContact O-C 3.57Å; E1210-P1212 VanDerWaalsContact O-O 3.08Å; E1210-E1213 PolarHBondContact O-N 3.2Å
1211W90.9Very high88.9Confident10 Ų1074.5 Ų74.54%0.03837%0.366CS..  trans-72.9141.5-177.4-178.292.8000112.5P1207 P1208 I1277 I1280 L1285 L1290 R1293P1207-W1211 HydrophobicContact CB-CB 4.02Å; P1207-W1211 HydrophobicContact CB-CD2 4.08Å; P1207-W1211 HydrophobicContact CB-CE3 4.17Å; P1207-W1211 HydrophobicContact CB-CG 4.05Å; P1207-W1211 HydrophobicContact CG-CE3 4.14Å; P1208-W1211 HydrophobicContact CB-CB 4.44Å; P1208-W1211 WeakPolarHBondContact O-CB 3.25Å; P1208-W1211 PolarHBondContact O-N 3.16Å; W1211-I1277 HydrophobicContact CH2-CB 4.43Å; W1211-I1277 HydrophobicContact CH2-CG2 4.49Å; W1211-I1277 HydrophobicContact CZ2-CB 3.74Å; W1211-I1277 HydrophobicContact CZ2-CG2 3.89Å; W1211-I1277 PolarHBondContact NE1-O 3.47Å; W1211-I1277 VanDerWaalsContact NE1-O 3.09Å; W1211-I1280 HydrophobicContact CG-CD1 4.24Å; W1211-L1285 HydrophobicContact CE3-CD1 4.48Å; W1211-L1285 HydrophobicContact CH2-CD1 3.42Å; W1211-L1285 VanDerWaalsContact CH2-CD1 3.42Å; W1211-L1285 HydrophobicContact CZ2-CD1 3.75Å; W1211-L1285 HydrophobicContact CZ3-CD1 3.84Å; W1211-L1290 HydrophobicContact CH2-CD1 3.8Å; W1211-L1290 HydrophobicContact CZ3-CD1 4.36Å; W1211-R1293 HydrophobicContact CE3-CB 4.27Å; W1211-R1293 HydrophobicContact CE3-CG 4.27Å; W1211-R1293 HydrophobicContact CZ3-CB 4.05Å; W1211-R1293 HydrophobicContact CZ3-CG 4.37Å; W1211-R1293 WeakPolarHBondContact O-CD 3.24Å
1212P91.8Very high89.3Confident6 Ų672.8 Ų72.84%0.03936%0.36CS..SBendcis-73.9141-12.425.1-24.5000110.9E1210 I1277 D1278 R1373 V1374E1210-P1212 CarbonylContact O-C 3.57Å; E1210-P1212 VanDerWaalsContact O-O 3.08Å; P1212-I1277 HydrophobicContact CB-CG2 3.83Å; P1212-I1277 HydrophobicContact CG-CG2 4.24Å; P1212-D1278 WeakPolarHBondContact CA-OD2 3.04Å; P1212-D1278 HydrophobicContact CB-CB 4.49Å; P1212-D1278 WeakPolarHBondContact CB-OD2 3.2Å; P1212-R1373 HydrophobicContact CG-CB 4.2Å; P1212-R1373 WeakPolarHBondContact O-CG 3.13Å; P1212-V1374 HydrophobicContact CG-CG2 4.44Å
1213E88.2Confident89.7Confident142 Ų14271 Ų7166%0.66435%0.35SS*.SBendtrans-84.4-48.6-177.5-173.9-176.3179.300111.1E1210 D1278 R1373E1210-E1213 PolarHBondContact O-N 3.2Å; E1213-D1278 PolarHBondContact N-OD2 3.38Å; E1213-R1373 PolarHBondContact O-NE 3.44Å
1214K89.6Confident90Very high149 Ų14969.7 Ų69.765%0.64834%0.343SS*.SBendtrans-99.5-29.8179.6-63.2-179.3-178.7177.90112.2G1243 D1278K1214-G1243 WeakPolarHBondContact O-CA 3.34Å; K1214-D1278 PolarHBondContact N-OD2 2.81Å
1215G90.1Very high90.1Very high0 Ų066 Ų660%032%0.317CS..  trans75.625.9-17800000114.2D1278 T1404G1215-D1278 PolarHBondContact N-OD1 3.02Å; G1215-D1278 PolarHBondContact N-OD2 3.46Å; G1215-D1278 VanDerWaalsContact N-OD2 3.07Å; G1215-T1404 WeakPolarHBondContact O-CB 3.4Å; G1215-T1404 PolarHBondContact O-OG1 3.49Å
1216G93.6Very high90Very high13 Ų1365 Ų6513%0.13431%0.306CS..  trans-72.2135.4174.700000111I1241 I1277 D1278G1216-I1241 CarbonylContact C-O 3.56Å; G1216-I1241 WeakPolarHBondContact CA-O 3.47Å; G1216-I1277 VanDerWaalsContact O-CA 3.28Å; G1216-I1277 WeakPolarHBondContact O-CA 3.35Å; G1216-D1278 PolarHBondContact N-OD1 3.07Å; G1216-D1278 PolarHBondContact O-N 3.32Å
1217V95.3Very high89.8Confident0 Ų061 Ų610%029%0.287CS..EExtended strand (participates in β ladder)trans-122.1128.1-174.8-177.60000109.9F1219 I1241 L1264 I1275 I1277 V1374V1217-F1219 HydrophobicContact CG1-CD2 4.12Å; V1217-F1219 HydrophobicContact CG1-CE2 3.64Å; V1217-F1219 HydrophobicContact CG1-CZ 4.38Å; V1217-I1241 HydrophobicContact CB-CB 4.28Å; V1217-I1241 HydrophobicContact CB-CD1 4.47Å; V1217-I1241 PolarHBondContact N-O 3.34Å; V1217-I1241 WeakPolarHBondContact O-CA 3.23Å; V1217-I1241 WeakPolarHBondContact O-CB 3.49Å; V1217-I1241 PolarHBondContact O-N 2.89Å; V1217-L1264 HydrophobicContact CG1-CD2 3.64Å; V1217-I1275 HydrophobicContact CG1-CG2 4.26Å; V1217-I1277 HydrophobicContact CG2-CG1 4.28Å; V1217-V1374 HydrophobicContact CG2-CG1 4.46Å; V1217-V1374 HydrophobicContact CG2-CG2 4.35Å
1218Q95.2Very high89.3Confident94 Ų9469.2 Ų69.244%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-125.4126.5178-63.2179.3-4.600110.5I1275 V1276Q1218-I1275 CarbonylContact O-C 3.47Å; Q1218-I1275 VanDerWaalsContact O-CA 3.31Å; Q1218-I1275 WeakPolarHBondContact O-CA 3.27Å; Q1218-V1276 HydrophobicContact CB-CB 4.35Å; Q1218-V1276 PolarHBondContact N-O 3.22Å; Q1218-V1276 PolarHBondContact O-N 2.98Å
1219F95.6Very high88.5Confident1 Ų169.1 Ų69.10%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-101.2125.5170.7-67.8-102000108.7V1217 Y1222 V1237 T1238 C1239 I1241 L1260 L1264 I1275V1217-F1219 HydrophobicContact CG1-CD2 4.12Å; V1217-F1219 HydrophobicContact CG1-CE2 3.64Å; V1217-F1219 HydrophobicContact CG1-CZ 4.38Å; F1219-Y1222 HydrophobicContact CD1-CD1 4.43Å; F1219-Y1222 HydrophobicContact CD1-CG 4.22Å; F1219-V1237 HydrophobicContact CB-CG1 4.31Å; F1219-V1237 HydrophobicContact CD1-CG1 4.37Å; F1219-V1237 HydrophobicContact CG-CG1 4.43Å; F1219-T1238 VanDerWaalsContact O-CA 3.31Å; F1219-T1238 WeakPolarHBondContact O-CA 3.31Å; F1219-C1239 WeakPolarHBondContact CD2-SG 3.24Å; F1219-C1239 PolarHBondContact N-O 3.23Å; F1219-C1239 PolarHBondContact O-N 3.38Å; F1219-C1239 VanDerWaalsContact O-N 3.11Å; F1219-I1241 HydrophobicContact CE2-CD1 4.45Å; F1219-L1260 HydrophobicContact CD1-CD1 4.04Å; F1219-L1260 HydrophobicContact CE1-CD1 3.42Å; F1219-L1260 VanDerWaalsContact CE1-CD1 3.42Å; F1219-L1260 HydrophobicContact CE1-CG 4.22Å; F1219-L1260 HydrophobicContact CE2-CD1 4.45Å; F1219-L1260 HydrophobicContact CZ-CD1 3.65Å; F1219-L1260 HydrophobicContact CZ-CG 4.02Å; F1219-L1264 HydrophobicContact CE1-CD2 4.4Å; F1219-L1264 HydrophobicContact CE2-CD2 4.14Å; F1219-L1264 HydrophobicContact CZ-CD1 4.32Å; F1219-L1264 HydrophobicContact CZ-CD2 3.62Å; F1219-L1264 HydrophobicContact CZ-CG 3.88Å; F1219-I1275 HydrophobicContact CD1-CD1 3.76Å; F1219-I1275 HydrophobicContact CD1-CG1 3.61Å; F1219-I1275 HydrophobicContact CE1-CD1 3.41Å; F1219-I1275 VanDerWaalsContact CE1-CD1 3.41Å; F1219-I1275 HydrophobicContact CE1-CG1 3.79Å; F1219-I1275 HydrophobicContact CG-CG1 4.31Å; F1219-I1275 HydrophobicContact CZ-CD1 4.23Å
1220N94.3Very high88.2Confident66 Ų6664.4 Ų64.435%0.35332%0.32SS..EExtended strand (participates in β ladder)trans-117.6101.2-178.1-65.3-40.4000110.6Y1222 G1273 S1274N1220-Y1222 PolarHBondContact O-N 2.96Å; N1220-Y1222 VanDerWaalsContact O-N 3.08Å; N1220-G1273 CarbonylContact O-C 3.59Å; N1220-G1273 WeakPolarHBondContact O-CA 3.49Å; N1220-S1274 PolarHBondContact N-O 3.43Å; N1220-S1274 PolarHBondContact O-N 2.84Å; N1220-S1274 VanDerWaalsContact O-N 3.11Å
1221N94Very high88Confident101 Ų10165 Ų6554%0.5433%0.327SS..EExtended strand (participates in β ladder)trans45.840.5-179-65.3-33.3000112.6K1223 V1237 T1238 G1273N1221-K1223 PolarHBondContact O-N 3.39Å; N1221-V1237 PolarHBondContact N-O 3.34Å; N1221-T1238 VanDerWaalsContact CA-OG1 3.3Å; N1221-T1238 WeakPolarHBondContact CA-OG1 3.37Å; N1221-T1238 PolarHBondContact N-OG1 3.34Å; N1221-T1238 PolarHBondContact OD1-OG1 3.38Å; N1221-G1273 WeakPolarHBondContact O-CA 3.2Å
1222Y95.3Very high87.8Confident4 Ų466.7 Ų66.72%0.01634%0.337CS..EExtended strand (participates in β ladder)trans-71.2132.3-169-169.3-96.4000110.8F1219 N1220 L1224 L1234 D1236 V1237 A1263 P1270 I1275F1219-Y1222 HydrophobicContact CD1-CD1 4.43Å; F1219-Y1222 HydrophobicContact CD1-CG 4.22Å; N1220-Y1222 PolarHBondContact O-N 2.96Å; N1220-Y1222 VanDerWaalsContact O-N 3.08Å; Y1222-L1224 HydrophobicContact CE1-CB 3.91Å; Y1222-L1224 HydrophobicContact CE1-CD1 4.11Å; Y1222-L1234 HydrophobicContact CD1-CD1 4.24Å; Y1222-L1234 HydrophobicContact CE1-CD1 4.35Å; Y1222-D1236 PolarHBondContact O-N 3.49Å; Y1222-V1237 PolarHBondContact N-O 3.27Å; Y1222-V1237 PolarHBondContact O-N 2.81Å; Y1222-A1263 HydrophobicContact CD1-CB 4.39Å; Y1222-A1263 HydrophobicContact CE1-CB 3.43Å; Y1222-A1263 VanDerWaalsContact CE1-CB 3.43Å; Y1222-A1263 WeakPolarHBondContact OH-CB 3.45Å; Y1222-P1270 HydrophobicContact CD2-CB 4.36Å; Y1222-P1270 HydrophobicContact CE2-CB 3.62Å; Y1222-P1270 HydrophobicContact CE2-CG 4.48Å; Y1222-I1275 HydrophobicContact CD1-CD1 4.5Å; Y1222-I1275 HydrophobicContact CD2-CD1 3.88Å; Y1222-I1275 HydrophobicContact CD2-CG1 3.53Å; Y1222-I1275 HydrophobicContact CE1-CD1 4.2Å; Y1222-I1275 HydrophobicContact CE2-CD1 3.5Å; Y1222-I1275 HydrophobicContact CE2-CG1 3.56Å; Y1222-I1275 HydrophobicContact CG-CD1 4.35Å; Y1222-I1275 HydrophobicContact CG-CG1 4.16Å
1223K94.5Very high87.4Confident68 Ų6867.9 Ų67.930%0.29635%0.345SS..EExtended strand (participates in β ladder)trans-124.1129.2179.5-66.6174.7-176.7-177.10108.5N1221 L1232 L1234 D1236 A1271 G1272N1221-K1223 PolarHBondContact O-N 3.39Å; K1223-L1232 HydrophobicContact CB-CD2 4.21Å; K1223-L1232 HydrophobicContact CD-CD1 4.43Å; K1223-L1234 WeakPolarHBondContact CA-O 3.25Å; K1223-D1236 WeakPolarHBondContact CE-OD1 3.47Å; K1223-D1236 IonicContact NZ-OD1 2.81Å; K1223-D1236 PolarHBondContact NZ-OD1 3.17Å; K1223-A1271 HydrophobicContact CB-CB 4.27Å; K1223-A1271 PolarHBondContact O-N 3.29Å; K1223-G1272 PolarHBondContact N-O 3.41Å; K1223-G1272 PolarHBondContact O-N 2.92Å
1224L91.9Very high87.6Confident0 Ų061.1 Ų61.10%031%0.313CS..EExtended strand (participates in β ladder)trans-124.2134.9177.5-171.3148.2000110.2Y1222 Y1226 C1233 L1234 A1263 V1268Y1222-L1224 HydrophobicContact CE1-CB 3.91Å; Y1222-L1224 HydrophobicContact CE1-CD1 4.11Å; L1224-Y1226 HydrophobicContact CD2-CD2 4.35Å; L1224-Y1226 HydrophobicContact CD2-CE2 4.27Å; L1224-C1233 HydrophobicContact CD2-CB 4.09Å; L1224-C1233 PolarHBondContact O-N 2.89Å; L1224-L1234 HydrophobicContact CB-CB 3.82Å; L1224-L1234 HydrophobicContact CB-CD1 3.95Å; L1224-L1234 HydrophobicContact CB-CG 3.99Å; L1224-L1234 HydrophobicContact CD1-CD1 4.36Å; L1224-L1234 PolarHBondContact N-O 2.57Å; L1224-L1234 VanDerWaalsContact N-O 3.13Å; L1224-L1234 PolarHBondContact O-N 3.49Å; L1224-A1263 HydrophobicContact CD1-CB 3.77Å; L1224-V1268 HydrophobicContact CD1-CB 4.06Å; L1224-V1268 HydrophobicContact CD1-CG1 4.29Å; L1224-V1268 HydrophobicContact CD2-CG1 4.2Å; L1224-V1268 HydrophobicContact CG-CB 4.31Å; L1224-V1268 HydrophobicContact CG-CG1 3.99Å
1225R87Confident87.7Confident90 Ų9057.4 Ų57.434%0.3430%0.297SS..  trans-136.7131170.9-171.2-171.3-58.2-146.99107.8R1227 L1230 L1232 V1268 A1271R1225-R1227 VanDerWaalsContact C-N 3.3Å; R1225-R1227 WeakPolarHBondContact CD-O 3.07Å; R1225-R1227 WeakPolarHBondContact CG-O 3.33Å; R1225-R1227 PolarHBondContact O-N 3.4Å; R1225-L1230 WeakPolarHBondContact CD-O 3.18Å; R1225-L1230 HydrophobicContact CG-CB 4.25Å; R1225-L1230 WeakPolarHBondContact CG-O 3.26Å; R1225-L1230 VanDerWaalsContact CZ-O 3.22Å; R1225-L1230 PolarHBondContact NE-O 2.88Å; R1225-L1230 PolarHBondContact NH1-O 3.29Å; R1225-L1232 HydrophobicContact CB-CD2 4.17Å; R1225-V1268 VanDerWaalsContact O-CG1 3.25Å; R1225-V1268 WeakPolarHBondContact O-CG1 3.04Å; R1225-A1271 HydrophobicContact CB-CB 4.16Å
1226Y80.2Confident87.7Confident71 Ų7160.8 Ų60.828%0.27832%0.315SS..SBendtrans-63.3-37.2-179.8-77.8-75.7000113L1224 C1233 S1259 Q1262 V1268L1224-Y1226 HydrophobicContact CD2-CD2 4.35Å; L1224-Y1226 HydrophobicContact CD2-CE2 4.27Å; Y1226-C1233 HydrophobicContact CD2-CB 4.22Å; Y1226-C1233 HydrophobicContact CE2-CB 4.03Å; Y1226-S1259 WeakPolarHBondContact OH-CB 3.5Å; Y1226-S1259 PolarHBondContact OH-OG 2.93Å; Y1226-Q1262 VanDerWaalsContact CZ-OE1 3.28Å; Y1226-Q1262 PolarHBondContact OH-OE1 3.11Å; Y1226-V1268 HydrophobicContact CD1-CG2 3.85Å; Y1226-V1268 HydrophobicContact CE1-CG2 3.99Å
1227R77.6Confident87.6Confident60 Ų6060.2 Ų60.223%0.22631%0.309CS..SBendtrans-150.7148.8-177.9-70-174.3-83.3145.8-17.5111.5L871 A986 V990 R1225 G1229 L1230L871-R1227 PolarHBondContact O-NH2 3.3Å; A986-R1227 HydrophobicContact CB-CG 3.78Å; V990-R1227 VanDerWaalsContact CG1-CD 3.45Å; R1225-R1227 VanDerWaalsContact C-N 3.3Å; R1225-R1227 WeakPolarHBondContact CD-O 3.07Å; R1225-R1227 WeakPolarHBondContact CG-O 3.33Å; R1225-R1227 PolarHBondContact O-N 3.4Å; R1227-G1229 PolarHBondContact O-N 2.88Å; R1227-L1230 HydrophobicContact CB-CD1 4.05Å; R1227-L1230 HydrophobicContact CB-CG 4.33Å; R1227-L1230 PolarHBondContact O-N 3.22Å
1228E75.3Confident87.6Confident197 Ų19763.7 Ų63.792%0.92133%0.33SS*.THydrogen-bonded Turntrans-55.8137169.4-63-167.5169.900110.5
1229G71.1Confident87.5Confident75 Ų7559.8 Ų59.877%0.77331%0.313SS*.THydrogen-bonded Turntrans90.7-18.3-17400000116.2R1227R1227-G1229 PolarHBondContact O-N 2.88Å
1230L76.2Confident87.4Confident70 Ų7063 Ų6337%0.36634%0.336SS..SBendtrans-85.3162.6172.4-65.3-179.9000112.4R1225 R1227R1225-L1230 WeakPolarHBondContact CD-O 3.18Å; R1225-L1230 HydrophobicContact CG-CB 4.25Å; R1225-L1230 WeakPolarHBondContact CG-O 3.26Å; R1225-L1230 VanDerWaalsContact CZ-O 3.22Å; R1225-L1230 PolarHBondContact NE-O 2.88Å; R1225-L1230 PolarHBondContact NH1-O 3.29Å; R1227-L1230 HydrophobicContact CB-CD1 4.05Å; R1227-L1230 HydrophobicContact CB-CG 4.33Å; R1227-L1230 PolarHBondContact O-N 3.22Å
1231D80.5Confident87.5Confident148 Ų14860.3 Ų60.379%0.79132%0.321SS*.PPolyproline II helixtrans-66.9155.7171-75.1-26.9000112.5C1233D1231-C1233 PolarHBondContact O-N 3.05Å
1232L85.9Confident87.4Confident46 Ų4658.3 Ų58.324%0.24132%0.319CS..PPolyproline II helixtrans-64.6122173-68.5176.3000110.2K1223 R1225 K1235 A1271K1223-L1232 HydrophobicContact CB-CD2 4.21Å; K1223-L1232 HydrophobicContact CD-CD1 4.43Å; R1225-L1232 HydrophobicContact CB-CD2 4.17Å; L1232-K1235 HydrophobicContact CB-CG 3.68Å; L1232-K1235 HydrophobicContact CD1-CG 4.33Å; L1232-K1235 WeakPolarHBondContact O-CE 3.26Å; L1232-A1271 HydrophobicContact CD2-CB 4.28Å
1233C84.7Confident87.2Confident31 Ų3160 Ų6021%0.20934%0.338CS..SBendtrans-80.7-38.8173.4-169.20000111.3L1224 Y1226 D1231 S1259 G1427L1224-C1233 HydrophobicContact CD2-CB 4.09Å; L1224-C1233 PolarHBondContact O-N 2.89Å; Y1226-C1233 HydrophobicContact CD2-CB 4.22Å; Y1226-C1233 HydrophobicContact CE2-CB 4.03Å; D1231-C1233 PolarHBondContact O-N 3.05Å; C1233-S1259 PolarHBondContact SG-OG 3.08Å; C1233-G1427 WeakPolarHBondContact O-CA 3.25Å
1234L91.3Very high87.1Confident0 Ų058 Ų580%034%0.336CS..EExtended strand (participates in β ladder)trans-113.3129.1168.2-61.6179.6000109.1Y1222 K1223 L1224 V1237 L1260 G1427Y1222-L1234 HydrophobicContact CD1-CD1 4.24Å; Y1222-L1234 HydrophobicContact CE1-CD1 4.35Å; K1223-L1234 WeakPolarHBondContact CA-O 3.25Å; L1224-L1234 HydrophobicContact CB-CB 3.82Å; L1224-L1234 HydrophobicContact CB-CD1 3.95Å; L1224-L1234 HydrophobicContact CB-CG 3.99Å; L1224-L1234 HydrophobicContact CD1-CD1 4.36Å; L1224-L1234 PolarHBondContact N-O 2.57Å; L1224-L1234 VanDerWaalsContact N-O 3.13Å; L1224-L1234 PolarHBondContact O-N 3.49Å; L1234-V1237 HydrophobicContact CB-CG2 3.87Å; L1234-V1237 HydrophobicContact CD2-CG2 4.18Å; L1234-V1237 HydrophobicContact CG-CG2 4.42Å; L1234-L1260 HydrophobicContact CD1-CB 4.35Å; L1234-L1260 HydrophobicContact CD1-CD1 3.96Å; L1234-G1427 WeakPolarHBondContact CA-O 3.14Å
1235K91.3Very high87.1Confident71 Ų7159.1 Ų59.131%0.30934%0.342SS..EExtended strand (participates in β ladder)trans-120.8106.8-173.1-64.5172-173.7169.30108.7L1232 V1237 G1427 R1428L1232-K1235 HydrophobicContact CB-CG 3.68Å; L1232-K1235 HydrophobicContact CD1-CG 4.33Å; L1232-K1235 WeakPolarHBondContact O-CE 3.26Å; K1235-V1237 VanDerWaalsContact C-N 3.34Å; K1235-V1237 PolarHBondContact O-N 2.96Å; K1235-G1427 PolarHBondContact N-O 3.48Å; K1235-R1428 HydrophobicContact CB-CG 3.89Å; K1235-R1428 WeakPolarHBondContact O-CG 3.17Å
1236D90.5Very high87.5Confident71 Ų7157.1 Ų57.138%0.3834%0.335SS..EExtended strand (participates in β ladder)trans54.845.6172.6-53.8-72.6000113.1Y1222 K1223 T1238Y1222-D1236 PolarHBondContact O-N 3.49Å; K1223-D1236 WeakPolarHBondContact CE-OD1 3.47Å; K1223-D1236 IonicContact NZ-OD1 2.81Å; K1223-D1236 PolarHBondContact NZ-OD1 3.17Å; D1236-T1238 PolarHBondContact O-N 2.84Å
1237V92.7Very high88.1Confident0 Ų053.7 Ų53.70%032%0.322CS..EExtended strand (participates in β ladder)trans-74116.5179.8175.80000109.7F1219 N1221 Y1222 L1234 K1235 L1260 I1429F1219-V1237 HydrophobicContact CB-CG1 4.31Å; F1219-V1237 HydrophobicContact CD1-CG1 4.37Å; F1219-V1237 HydrophobicContact CG-CG1 4.43Å; N1221-V1237 PolarHBondContact N-O 3.34Å; Y1222-V1237 PolarHBondContact N-O 3.27Å; Y1222-V1237 PolarHBondContact O-N 2.81Å; L1234-V1237 HydrophobicContact CB-CG2 3.87Å; L1234-V1237 HydrophobicContact CD2-CG2 4.18Å; L1234-V1237 HydrophobicContact CG-CG2 4.42Å; K1235-V1237 VanDerWaalsContact C-N 3.34Å; K1235-V1237 PolarHBondContact O-N 2.96Å; V1237-L1260 HydrophobicContact CG1-CD1 4.1Å; V1237-I1429 HydrophobicContact CG1-CD1 3.73Å; V1237-I1429 HydrophobicContact CG1-CG1 4.11Å
1238T94.1Very high88.9Confident74 Ų7450.9 Ų50.945%0.45431%0.311SS..EExtended strand (participates in β ladder)trans-130.5117.9178.7-62.70000110F1219 N1221 D1236F1219-T1238 VanDerWaalsContact O-CA 3.31Å; F1219-T1238 WeakPolarHBondContact O-CA 3.31Å; N1221-T1238 VanDerWaalsContact CA-OG1 3.3Å; N1221-T1238 WeakPolarHBondContact CA-OG1 3.37Å; N1221-T1238 PolarHBondContact N-OG1 3.34Å; N1221-T1238 PolarHBondContact OD1-OG1 3.38Å; D1236-T1238 PolarHBondContact O-N 2.84Å
1239C93.8Very high89.7Confident11 Ų1141.6 Ų41.67%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-159.8153.1176.263.60000111.7F1219 M1422 I1429 F1432F1219-C1239 WeakPolarHBondContact CD2-SG 3.24Å; F1219-C1239 PolarHBondContact N-O 3.23Å; F1219-C1239 PolarHBondContact O-N 3.38Å; F1219-C1239 VanDerWaalsContact O-N 3.11Å; C1239-M1422 HydrophobicContact CB-CE 4.16Å; C1239-M1422 VanDerWaalsContact SG-CE 3.56Å; C1239-I1429 HydrophobicContact CB-CD1 3.71Å; C1239-F1432 HydrophobicContact CB-CD1 4.16Å; C1239-F1432 HydrophobicContact CB-CE1 3.89Å
1240S94.2Very high90.5Very high70 Ų7038.1 Ų38.149%0.4923%0.232SC..EExtended strand (participates in β ladder)trans-118128.517454.90000110.8R1420S1240-R1420 PolarHBondContact O-NH2 2.8Å
1241I94.9Very high90.7Very high8 Ų835.4 Ų35.44%0.04122%0.221CC..EExtended strand (participates in β ladder)trans-118.4120.9-179.5-53.4174.6000107.3G1216 V1217 F1219 E1245 I1247 T1404 L1406 F1432G1216-I1241 CarbonylContact C-O 3.56Å; G1216-I1241 WeakPolarHBondContact CA-O 3.47Å; V1217-I1241 HydrophobicContact CB-CB 4.28Å; V1217-I1241 HydrophobicContact CB-CD1 4.47Å; V1217-I1241 PolarHBondContact N-O 3.34Å; V1217-I1241 WeakPolarHBondContact O-CA 3.23Å; V1217-I1241 WeakPolarHBondContact O-CB 3.49Å; V1217-I1241 PolarHBondContact O-N 2.89Å; F1219-I1241 HydrophobicContact CE2-CD1 4.45Å; I1241-E1245 WeakPolarHBondContact CA-OE2 3.43Å; I1241-E1245 HydrophobicContact CG2-CB 4.13Å; I1241-I1247 HydrophobicContact CD1-CG1 4.21Å; I1241-I1247 HydrophobicContact CG1-CG1 4.26Å; I1241-I1247 HydrophobicContact CG2-CD1 4.22Å; I1241-I1247 HydrophobicContact CG2-CG1 3.67Å; I1241-T1404 HydrophobicContact CG2-CG2 3.73Å; I1241-L1406 HydrophobicContact CD1-CD2 3.64Å; I1241-L1406 HydrophobicContact CG2-CD2 4.44Å; I1241-F1432 HydrophobicContact CG1-CZ 4.48Å
1242A92.8Very high90.4Very high59 Ų5937.3 Ų37.349%0.48822%0.217SC..  trans-71.3153.5179.400000110.9G1244 E1245A1242-G1244 PolarHBondContact O-N 2.92Å; A1242-E1245 HydrophobicContact CB-CB 4.3Å; A1242-E1245 PolarHBondContact N-OE2 3.39Å; A1242-E1245 WeakPolarHBondContact O-CB 3.49Å; A1242-E1245 PolarHBondContact O-N 2.95Å
1243G91.6Very high89.6Confident41 Ų4142 Ų4242%0.42325%0.247SC..THydrogen-bonded Turntrans-64.1129.3174.800000111.3K1214 E1245K1214-G1243 WeakPolarHBondContact O-CA 3.34Å; G1243-E1245 VanDerWaalsContact C-N 3.34Å
1244G90.8Very high88.8Confident25 Ų2543.9 Ų43.926%0.25827%0.272SS..THydrogen-bonded Turntrans88.1-5.8-177.800000115.1A1242 K1246 T1404A1242-G1244 PolarHBondContact O-N 2.92Å; G1244-K1246 PolarHBondContact O-NZ 3.31Å; G1244-T1404 PolarHBondContact N-OG1 2.77Å
1245E93.7Very high88.3Confident24 Ų2444 Ų4411%0.11227%0.273CS..  trans-72.8145.1-176.9-165.7176.7-172.200112.7I1241 A1242 G1243 I1247 T1404 V1405 D1419 R1420I1241-E1245 WeakPolarHBondContact CA-OE2 3.43Å; I1241-E1245 HydrophobicContact CG2-CB 4.13Å; A1242-E1245 HydrophobicContact CB-CB 4.3Å; A1242-E1245 PolarHBondContact N-OE2 3.39Å; A1242-E1245 WeakPolarHBondContact O-CB 3.49Å; A1242-E1245 PolarHBondContact O-N 2.95Å; G1243-E1245 VanDerWaalsContact C-N 3.34Å; E1245-I1247 HydrophobicContact CG-CD1 3.73Å; E1245-I1247 HydrophobicContact CG-CG1 4.4Å; E1245-T1404 WeakPolarHBondContact O-CA 3.26Å; E1245-V1405 PolarHBondContact O-N 2.91Å; E1245-D1419 HydrophobicContact CG-CB 3.88Å; E1245-R1420 IonicContact OE1-CZ 3.96Å; E1245-R1420 IonicContact OE1-NE 3.19Å; E1245-R1420 PolarHBondContact OE1-NE 2.95Å; E1245-R1420 IonicContact OE1-NH2 2.87Å; E1245-R1420 PolarHBondContact OE1-NH2 2.86Å; E1245-R1420 IonicContact OE2-CZ 2.8Å; E1245-R1420 IonicContact OE2-NH2 2.71Å; E1245-R1420 PolarHBondContact OE2-NH2 3.24Å
1246K93.9Very high87.9Confident47 Ų4740.9 Ų40.920%0.20426%0.261CS..EExtended strand (participates in β ladder)trans-103116.1175.3-44.9-55.9173.4-160.80109.9G1244 F1400 A1401 C1403 V1405 D1419 R1420G1244-K1246 PolarHBondContact O-NZ 3.31Å; K1246-F1400 PolarHBondContact NZ-O 2.8Å; K1246-A1401 PolarHBondContact NZ-O 3.18Å; K1246-C1403 PolarHBondContact NZ-O 3Å; K1246-V1405 WeakPolarHBondContact CA-O 3.36Å; K1246-V1405 HydrophobicContact CD-CB 3.74Å; K1246-V1405 HydrophobicContact CD-CG2 3.69Å; K1246-D1419 PolarHBondContact N-OD2 3.12Å; K1246-D1419 WeakPolarHBondContact O-CB 3.36Å; K1246-D1419 PolarHBondContact O-N 2.89Å; K1246-R1420 PolarHBondContact O-N 3.27Å
1247I94.5Very high87.6Confident0 Ų038.2 Ų38.20%025%0.246CC..EExtended strand (participates in β ladder)trans-114.6121.6-178.4-54.7-61.1000110.3I1241 E1245 I1249 V1405 L1406 T1407 R1420 M1422 F1432I1241-I1247 HydrophobicContact CD1-CG1 4.21Å; I1241-I1247 HydrophobicContact CG1-CG1 4.26Å; I1241-I1247 HydrophobicContact CG2-CD1 4.22Å; I1241-I1247 HydrophobicContact CG2-CG1 3.67Å; E1245-I1247 HydrophobicContact CG-CD1 3.73Å; E1245-I1247 HydrophobicContact CG-CG1 4.4Å; I1247-I1249 HydrophobicContact CG2-CG1 4.21Å; I1247-V1405 PolarHBondContact N-O 3.3Å; I1247-L1406 HydrophobicContact CB-CD2 3.73Å; I1247-L1406 HydrophobicContact CG1-CD2 3.91Å; I1247-L1406 HydrophobicContact CG2-CD2 4.43Å; I1247-T1407 PolarHBondContact O-N 2.79Å; I1247-R1420 WeakPolarHBondContact CA-O 3.26Å; I1247-R1420 HydrophobicContact CD1-CB 3.89Å; I1247-M1422 HydrophobicContact CG2-CB 4.28Å; I1247-F1432 HydrophobicContact CD1-CE2 4.02Å; I1247-F1432 HydrophobicContact CD1-CZ 4.04Å; I1247-F1432 HydrophobicContact CG2-CE2 3.96Å
1248G93Very high87.2Confident0 Ų039.8 Ų39.80%026%0.257CS..EExtended strand (participates in β ladder)trans-82.8138.4166.100000110.8T1407 S1418 R1420 I1421 M1422G1248-T1407 CarbonylContact C-O 3.57Å; G1248-T1407 WeakPolarHBondContact CA-O 3.34Å; G1248-S1418 PolarHBondContact N-OG 3.31Å; G1248-R1420 PolarHBondContact N-O 3.48Å; G1248-I1421 CarbonylContact O-C 3.6Å; G1248-I1421 VanDerWaalsContact O-CA 3.3Å; G1248-I1421 WeakPolarHBondContact O-CA 3.4Å; G1248-M1422 PolarHBondContact O-N 3.4Å
1249I92.1Very high86.9Confident3 Ų336.6 Ų36.62%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-123.9122.6178-59.5161.1000108.5I1247 K1257 L1260 L1406 T1407 I1408 A1409 M1422 L1424I1247-I1249 HydrophobicContact CG2-CG1 4.21Å; I1249-K1257 HydrophobicContact CG2-CB 4.37Å; I1249-K1257 HydrophobicContact CG2-CG 4.34Å; I1249-L1260 HydrophobicContact CD1-CD2 3.99Å; I1249-L1406 HydrophobicContact CD1-CB 4.22Å; I1249-T1407 PolarHBondContact N-O 3.04Å; I1249-I1408 HydrophobicContact CB-CG1 3.95Å; I1249-I1408 HydrophobicContact CD1-CG1 4.03Å; I1249-I1408 HydrophobicContact CG2-CG1 4.18Å; I1249-I1408 WeakPolarHBondContact O-CA 3.48Å; I1249-A1409 PolarHBondContact O-N 3.27Å; I1249-A1409 VanDerWaalsContact O-N 3.14Å; I1249-M1422 WeakPolarHBondContact CA-O 3.22Å; I1249-M1422 HydrophobicContact CG1-CB 4.29Å; I1249-L1424 HydrophobicContact CG2-CD1 3.74Å; I1249-L1424 HydrophobicContact CG2-CG 4.36Å
1250V88Confident86.8Confident2 Ų236.3 Ų36.31%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-132.7162.3-178.3-68.70000111.9A1409 L1412 I1415 I1421 M1422 V1423 L1424 F1446V1250-A1409 HydrophobicContact CG1-CB 4.41Å; V1250-L1412 HydrophobicContact CB-CD2 4.37Å; V1250-L1412 HydrophobicContact CG1-CD2 3.63Å; V1250-I1415 HydrophobicContact CG1-CD1 3.2Å; V1250-I1415 HydrophobicContact CG1-CG1 4.47Å; V1250-I1421 HydrophobicContact CG2-CG2 3.75Å; V1250-M1422 PolarHBondContact N-O 3.2Å; V1250-V1423 HydrophobicContact CG2-CB 4.3Å; V1250-V1423 HydrophobicContact CG2-CG1 4.4Å; V1250-V1423 HydrophobicContact CG2-CG2 3.82Å; V1250-L1424 PolarHBondContact O-N 2.69Å; V1250-F1446 HydrophobicContact CG2-CD2 4.07Å; V1250-F1446 HydrophobicContact CG2-CE2 4.4Å
1251G80.4Confident86.6Confident13 Ų1333.1 Ų33.113%0.13421%0.213CC..  trans156.4158.2-176.300000111.1K1257 L1424G1251-K1257 PolarHBondContact O-NZ 2.92Å; G1251-L1424 VanDerWaalsContact CA-O 3.31Å; G1251-L1424 WeakPolarHBondContact CA-O 3.01Å
1252R75Confident86.4Confident188 Ų18833.6 Ų33.671%0.70922%0.215SC*.SBendtrans-60.5163.2176.5-68.2-178.6175.4168.9-0.6111.8G1254 A1255 K1257 M1449R1252-G1254 PolarHBondContact O-N 2.96Å; R1252-A1255 WeakPolarHBondContact O-CB 3.44Å; R1252-A1255 PolarHBondContact O-N 2.86Å; R1252-K1257 PolarHBondContact O-NZ 3.39Å; R1252-M1449 HydrophobicContact CG-CE 4.32Å
1253T69.3Low86.4Confident144 Ų14430.8 Ų30.888%0.88319%0.192SC*.THydrogen-bonded Turntrans-56128.2170.2-52.80000109.5
1254G68.2Low86.4Confident70 Ų7029 Ų2972%0.72217%0.172SC*.THydrogen-bonded Turntrans85.90.9-174.800000116R1252 G1256R1252-G1254 PolarHBondContact O-N 2.96Å; G1254-G1256 PolarHBondContact O-N 2.83Å; G1254-G1256 VanDerWaalsContact O-N 3.14Å
1255A78.9Confident86.6Confident4 Ų427.8 Ų27.83%0.03316%0.16CC..SBendtrans-67.9-9.1177.800000115.1R1252 L1424 G1427R1252-A1255 WeakPolarHBondContact O-CB 3.44Å; R1252-A1255 PolarHBondContact O-N 2.86Å; A1255-L1424 HydrophobicContact CB-CB 4.11Å; A1255-L1424 VanDerWaalsContact CB-O 3.31Å; A1255-L1424 WeakPolarHBondContact CB-O 3.48Å; A1255-G1427 WeakPolarHBondContact O-CA 3.33Å; A1255-G1427 PolarHBondContact O-N 3.49Å; A1255-G1427 VanDerWaalsContact O-N 3.09Å
1256G83.5Confident86.7Confident4 Ų427.3 Ų27.34%0.04116%0.157CC..SBendtrans103.18.3-179.800000115.6G1254 S1259 L1260G1254-G1256 PolarHBondContact O-N 2.83Å; G1254-G1256 VanDerWaalsContact O-N 3.14Å; G1256-S1259 WeakPolarHBondContact O-CB 3.5Å; G1256-S1259 PolarHBondContact O-N 3.33Å; G1256-S1259 VanDerWaalsContact O-N 3.16Å; G1256-L1260 PolarHBondContact O-N 3.3Å
1257K85.5Confident86.6Confident16 Ų1625.5 Ų25.57%0.0715%0.149CC..Hα-helixtrans-54.9-60.8-176.5-49.3-170.8-59.4-82.30113.2I1249 G1251 R1252 S1259 L1260 T1261 E1379 I1408 L1424I1249-K1257 HydrophobicContact CG2-CB 4.37Å; I1249-K1257 HydrophobicContact CG2-CG 4.34Å; G1251-K1257 PolarHBondContact O-NZ 2.92Å; R1252-K1257 PolarHBondContact O-NZ 3.39Å; K1257-S1259 PolarHBondContact O-N 2.72Å; K1257-L1260 VanDerWaalsContact O-CB 3.28Å; K1257-L1260 WeakPolarHBondContact O-CB 3.4Å; K1257-L1260 PolarHBondContact O-N 3.34Å; K1257-L1260 VanDerWaalsContact O-N 3.09Å; K1257-T1261 PolarHBondContact O-N 2.82Å; K1257-E1379 VanDerWaalsContact CE-OE1 3.23Å; K1257-E1379 WeakPolarHBondContact CE-OE1 3.34Å; K1257-E1379 IonicContact NZ-OE1 3.2Å; K1257-I1408 HydrophobicContact CB-CD1 3.99Å; K1257-I1408 HydrophobicContact CB-CG1 4.45Å; K1257-I1408 HydrophobicContact CB-CG2 3.91Å; K1257-I1408 HydrophobicContact CD-CG2 3.87Å; K1257-I1408 HydrophobicContact CG-CG2 4.5Å; K1257-I1408 WeakPolarHBondContact O-CD1 3.35Å; K1257-L1424 HydrophobicContact CB-CD1 4.36Å; K1257-L1424 HydrophobicContact CG-CD1 4.1Å
1258S83.4Confident86.3Confident33 Ų3326.2 Ų26.223%0.23115%0.154CC..Hα-helixtrans-69.2-17.5178.3-45.20000113.1T1261 Q1262 D1378S1258-T1261 PolarHBondContact O-OG1 3.19Å; S1258-Q1262 WeakPolarHBondContact O-CG 3.09Å; S1258-Q1262 PolarHBondContact O-N 2.86Å; S1258-D1378 PolarHBondContact OG-OD1 3.23Å
1259S88.6Confident86.2Confident7 Ų729.8 Ų29.85%0.04917%0.171CC..Hα-helixtrans-71.8-34.5171.7-51.30000111.5Y1226 C1233 G1256 K1257 T1261 Q1262 A1263Y1226-S1259 WeakPolarHBondContact OH-CB 3.5Å; Y1226-S1259 PolarHBondContact OH-OG 2.93Å; C1233-S1259 PolarHBondContact SG-OG 3.08Å; G1256-S1259 WeakPolarHBondContact O-CB 3.5Å; G1256-S1259 PolarHBondContact O-N 3.33Å; G1256-S1259 VanDerWaalsContact O-N 3.16Å; K1257-S1259 PolarHBondContact O-N 2.72Å; S1259-T1261 VanDerWaalsContact C-N 3.34Å; S1259-Q1262 PolarHBondContact O-N 3.35Å; S1259-A1263 PolarHBondContact O-N 3.23Å
1260L91Very high86.2Confident4 Ų431.5 Ų31.52%0.02118%0.182CC..Hα-helixtrans-64.3-38.3174-16772.4000111.5F1219 L1234 V1237 I1249 G1256 K1257 A1263 L1264 M1422 L1424F1219-L1260 HydrophobicContact CD1-CD1 4.04Å; F1219-L1260 HydrophobicContact CE1-CD1 3.42Å; F1219-L1260 VanDerWaalsContact CE1-CD1 3.42Å; F1219-L1260 HydrophobicContact CE1-CG 4.22Å; F1219-L1260 HydrophobicContact CE2-CD1 4.45Å; F1219-L1260 HydrophobicContact CZ-CD1 3.65Å; F1219-L1260 HydrophobicContact CZ-CG 4.02Å; L1234-L1260 HydrophobicContact CD1-CB 4.35Å; L1234-L1260 HydrophobicContact CD1-CD1 3.96Å; V1237-L1260 HydrophobicContact CG1-CD1 4.1Å; I1249-L1260 HydrophobicContact CD1-CD2 3.99Å; G1256-L1260 PolarHBondContact O-N 3.3Å; K1257-L1260 VanDerWaalsContact O-CB 3.28Å; K1257-L1260 WeakPolarHBondContact O-CB 3.4Å; K1257-L1260 PolarHBondContact O-N 3.34Å; K1257-L1260 VanDerWaalsContact O-N 3.09Å; L1260-A1263 WeakPolarHBondContact O-CB 3.21Å; L1260-A1263 PolarHBondContact O-N 2.99Å; L1260-L1264 PolarHBondContact O-N 2.86Å; L1260-M1422 HydrophobicContact CD2-SD 3.83Å; L1260-L1424 HydrophobicContact CD2-CD1 4.46Å
1261T89.4Confident86.3Confident4 Ų434.1 Ų34.13%0.02520%0.204CC..Hα-helixtrans-66.2-44.5175.166.90000111.2K1257 S1258 S1259 A1263 L1264 F1265 V1376 D1378 I1408K1257-T1261 PolarHBondContact O-N 2.82Å; S1258-T1261 PolarHBondContact O-OG1 3.19Å; S1259-T1261 VanDerWaalsContact C-N 3.34Å; T1261-A1263 VanDerWaalsContact C-N 3.26Å; T1261-A1263 PolarHBondContact O-N 3.46Å; T1261-L1264 PolarHBondContact O-N 2.86Å; T1261-F1265 WeakPolarHBondContact O-CD2 3.24Å; T1261-V1376 HydrophobicContact CG2-CG1 3.47Å; T1261-V1376 VanDerWaalsContact CG2-CG1 3.47Å; T1261-D1378 HydrophobicContact CG2-CB 4.44Å; T1261-I1408 HydrophobicContact CG2-CD1 3.23Å; T1261-I1408 HydrophobicContact CG2-CG1 4.28Å
1262Q90.3Very high86.8Confident18 Ų1834.6 Ų34.68%0.08421%0.209CC..Hα-helixtrans-62.3-32.2178.1-73.5173.2-29.700113.1K419 Y1226 S1258 S1259 R1266 I1267K419-Q1262 VanDerWaalsContact CE-NE2 3.31Å; K419-Q1262 VanDerWaalsContact NZ-NE2 3.17Å; Y1226-Q1262 VanDerWaalsContact CZ-OE1 3.28Å; Y1226-Q1262 PolarHBondContact OH-OE1 3.11Å; S1258-Q1262 WeakPolarHBondContact O-CG 3.09Å; S1258-Q1262 PolarHBondContact O-N 2.86Å; S1259-Q1262 PolarHBondContact O-N 3.35Å; Q1262-R1266 PolarHBondContact O-N 3.45Å; Q1262-I1267 HydrophobicContact CB-CB 4.17Å; Q1262-I1267 HydrophobicContact CG-CB 4.46Å; Q1262-I1267 HydrophobicContact CG-CG2 4.46Å; Q1262-I1267 PolarHBondContact O-N 2.67Å
1263A92.4Very high87.6Confident0 Ų027.8 Ų27.80%020%0.197CC..Hα-helixtrans-61.5-44.7175.400000112.6Y1222 L1224 S1259 L1260 T1261 F1265 R1266 I1275Y1222-A1263 HydrophobicContact CD1-CB 4.39Å; Y1222-A1263 HydrophobicContact CE1-CB 3.43Å; Y1222-A1263 VanDerWaalsContact CE1-CB 3.43Å; Y1222-A1263 WeakPolarHBondContact OH-CB 3.45Å; L1224-A1263 HydrophobicContact CD1-CB 3.77Å; S1259-A1263 PolarHBondContact O-N 3.23Å; L1260-A1263 WeakPolarHBondContact O-CB 3.21Å; L1260-A1263 PolarHBondContact O-N 2.99Å; T1261-A1263 VanDerWaalsContact C-N 3.26Å; T1261-A1263 PolarHBondContact O-N 3.46Å; A1263-F1265 VanDerWaalsContact C-N 3.29Å; A1263-F1265 PolarHBondContact O-N 3.33Å; A1263-R1266 PolarHBondContact O-N 3.33Å; A1263-R1266 VanDerWaalsContact O-N 3.11Å; A1263-I1275 HydrophobicContact CB-CD1 3.89Å
1264L93.5Very high88.8Confident3 Ų322.2 Ų22.22%0.01616%0.164CC..Hα-helixtrans-62-35.2-178.4-72.6167000113.2V1217 F1219 L1260 T1261 R1266 I1275 L1294 V1376 L1406V1217-L1264 HydrophobicContact CG1-CD2 3.64Å; F1219-L1264 HydrophobicContact CE1-CD2 4.4Å; F1219-L1264 HydrophobicContact CE2-CD2 4.14Å; F1219-L1264 HydrophobicContact CZ-CD1 4.32Å; F1219-L1264 HydrophobicContact CZ-CD2 3.62Å; F1219-L1264 HydrophobicContact CZ-CG 3.88Å; L1260-L1264 PolarHBondContact O-N 2.86Å; T1261-L1264 PolarHBondContact O-N 2.86Å; L1264-R1266 VanDerWaalsContact C-N 3.31Å; L1264-I1275 HydrophobicContact CD2-CG2 4.09Å; L1264-L1294 WeakPolarHBondContact O-CD1 3.14Å; L1264-V1376 HydrophobicContact CD1-CG2 4.18Å; L1264-L1406 HydrophobicContact CD1-CD1 3.37Å
1265F94.7Very high90.1Very high0 Ų018.9 Ų18.90%013%0.13CC..THydrogen-bonded Turntrans-88.84.1179.9-72.7-96.3000113.4L423 T1261 A1263 I1267 R1291 L1294 I1296 V1376L423-F1265 HydrophobicContact CD2-CB 3.67Å; L423-F1265 HydrophobicContact CD2-CD1 3.77Å; L423-F1265 HydrophobicContact CD2-CD2 3.83Å; L423-F1265 HydrophobicContact CD2-CE1 4.37Å; L423-F1265 HydrophobicContact CD2-CE2 4.43Å; L423-F1265 HydrophobicContact CD2-CG 3.47Å; L423-F1265 VanDerWaalsContact CD2-CG 3.47Å; T1261-F1265 WeakPolarHBondContact O-CD2 3.24Å; A1263-F1265 VanDerWaalsContact C-N 3.29Å; A1263-F1265 PolarHBondContact O-N 3.33Å; F1265-I1267 HydrophobicContact CB-CD1 4.39Å; F1265-I1267 HydrophobicContact CB-CG1 3.83Å; F1265-I1267 PolarHBondContact O-N 3.42Å; F1265-R1291 PolarHBondContact O-NE 3.21Å; F1265-R1291 VanDerWaalsContact O-NE 3.08Å; F1265-L1294 HydrophobicContact CD1-CB 4.06Å; F1265-L1294 HydrophobicContact CD1-CD1 4.32Å; F1265-L1294 HydrophobicContact CE1-CB 3.42Å; F1265-L1294 VanDerWaalsContact CE1-CB 3.42Å; F1265-L1294 HydrophobicContact CE1-CD1 4.4Å; F1265-L1294 HydrophobicContact CG-CD1 4.47Å; F1265-L1294 HydrophobicContact CZ-CB 3.68Å; F1265-I1296 HydrophobicContact CE1-CB 4.41Å; F1265-I1296 HydrophobicContact CE1-CG2 4.25Å; F1265-I1296 HydrophobicContact CE2-CB 3.97Å; F1265-I1296 HydrophobicContact CE2-CD1 4.23Å; F1265-I1296 HydrophobicContact CE2-CG2 4.46Å; F1265-I1296 HydrophobicContact CZ-CB 3.64Å; F1265-I1296 HydrophobicContact CZ-CG2 3.95Å; F1265-V1376 HydrophobicContact CE2-CB 4.37Å; F1265-V1376 HydrophobicContact CE2-CG2 3.99Å
1266R94.1Very high90.9Very high14 Ų1419.7 Ų19.75%0.05313%0.134CC..THydrogen-bonded Turntrans45.346.7-170.6-69.5178.860.8-156.7-5.6111.6Q1262 A1263 L1264 V1268 E1269 I1282 T1283 L1285 L1287 L1290 R1291Q1262-R1266 PolarHBondContact O-N 3.45Å; A1263-R1266 PolarHBondContact O-N 3.33Å; A1263-R1266 VanDerWaalsContact O-N 3.11Å; L1264-R1266 VanDerWaalsContact C-N 3.31Å; R1266-V1268 VanDerWaalsContact C-N 3.3Å; R1266-E1269 IonicContact CZ-OE1 3.82Å; R1266-E1269 IonicContact CZ-OE2 3.92Å; R1266-E1269 IonicContact NE-OE1 2.71Å; R1266-E1269 PolarHBondContact NE-OE1 2.78Å; R1266-E1269 IonicContact NE-OE2 2.71Å; R1266-E1269 PolarHBondContact NE-OE2 3.36Å; R1266-E1269 IonicContact NH2-OE1 3.92Å; R1266-E1269 PolarHBondContact NH2-OE1 3.45Å; R1266-E1269 IonicContact NH2-OE2 2.75Å; R1266-E1269 PolarHBondContact NH2-OE2 3.14Å; R1266-I1282 VanDerWaalsContact CD-O 3.25Å; R1266-I1282 WeakPolarHBondContact CD-O 3.36Å; R1266-I1282 HydrophobicContact CG-CD1 3.88Å; R1266-I1282 HydrophobicContact CG-CG1 4.2Å; R1266-I1282 PolarHBondContact NH1-O 3.36Å; R1266-T1283 PolarHBondContact NH1-O 3.12Å; R1266-T1283 VanDerWaalsContact NH1-O 3.1Å; R1266-L1285 PolarHBondContact NH1-O 2.68Å; R1266-L1287 HydrophobicContact CB-CD2 3.97Å; R1266-L1290 HydrophobicContact CB-CD2 4.02Å; R1266-L1290 HydrophobicContact CG-CD2 3.73Å; R1266-R1291 PolarHBondContact O-NH2 3.46Å
1267I91.8Very high91.4Very high8 Ų819.5 Ų19.54%0.04113%0.132CC..SBendtrans-74.8-32.5169.1-63.7-63000109.6K422 L423 M985 Q1262 F1265K422-I1267 HydrophobicContact CB-CD1 3.82Å; L423-I1267 HydrophobicContact CD2-CD1 3.97Å; L423-I1267 HydrophobicContact CD2-CG1 3.77Å; L423-I1267 HydrophobicContact CG-CD1 4.21Å; L423-I1267 HydrophobicContact CG-CG1 4.43Å; M985-I1267 HydrophobicContact CB-CG2 4.03Å; M985-I1267 HydrophobicContact CG-CG2 3.35Å; Q1262-I1267 HydrophobicContact CB-CB 4.17Å; Q1262-I1267 HydrophobicContact CG-CB 4.46Å; Q1262-I1267 HydrophobicContact CG-CG2 4.46Å; Q1262-I1267 PolarHBondContact O-N 2.67Å; F1265-I1267 HydrophobicContact CB-CD1 4.39Å; F1265-I1267 HydrophobicContact CB-CG1 3.83Å; F1265-I1267 PolarHBondContact O-N 3.42Å
1268V89.7Confident91.7Very high16 Ų1620.6 Ų20.610%0.09714%0.138CC..SBendtrans-123.2128.8169.5-175.50000106.6L1224 R1225 Y1226 R1266L1224-V1268 HydrophobicContact CD1-CB 4.06Å; L1224-V1268 HydrophobicContact CD1-CG1 4.29Å; L1224-V1268 HydrophobicContact CD2-CG1 4.2Å; L1224-V1268 HydrophobicContact CG-CB 4.31Å; L1224-V1268 HydrophobicContact CG-CG1 3.99Å; R1225-V1268 VanDerWaalsContact O-CG1 3.25Å; R1225-V1268 WeakPolarHBondContact O-CG1 3.04Å; Y1226-V1268 HydrophobicContact CD1-CG2 3.85Å; Y1226-V1268 HydrophobicContact CE1-CG2 3.99Å; R1266-V1268 VanDerWaalsContact C-N 3.3Å
1269E90.8Very high91.9Very high75 Ų7524.6 Ų24.635%0.3517%0.166SC..  trans-71.7151.6177.3-67.8-65.4172.800110.9R1266 A1271R1266-E1269 IonicContact CZ-OE1 3.82Å; R1266-E1269 IonicContact CZ-OE2 3.92Å; R1266-E1269 IonicContact NE-OE1 2.71Å; R1266-E1269 PolarHBondContact NE-OE1 2.78Å; R1266-E1269 IonicContact NE-OE2 2.71Å; R1266-E1269 PolarHBondContact NE-OE2 3.36Å; R1266-E1269 IonicContact NH2-OE1 3.92Å; R1266-E1269 PolarHBondContact NH2-OE1 3.45Å; R1266-E1269 IonicContact NH2-OE2 2.75Å; R1266-E1269 PolarHBondContact NH2-OE2 3.14Å; E1269-A1271 PolarHBondContact O-N 3.03Å
1270P91.6Very high92.1Very high38 Ų3826 Ų2625%0.24717%0.173CC..  trans-60.8133.3178.821.7-30.2000111.9Y1222 G1272 T1283Y1222-P1270 HydrophobicContact CD2-CB 4.36Å; Y1222-P1270 HydrophobicContact CE2-CB 3.62Å; Y1222-P1270 HydrophobicContact CE2-CG 4.48Å; P1270-G1272 VanDerWaalsContact C-N 3.29Å; P1270-T1283 HydrophobicContact CG-CG2 3.87Å
1271A89.4Confident92.2Very high58 Ų5828 Ų2848%0.47918%0.184SC..SBendtrans-79.9-16.1165.800000111.9K1223 R1225 L1232 E1269K1223-A1271 HydrophobicContact CB-CB 4.27Å; K1223-A1271 PolarHBondContact O-N 3.29Å; R1225-A1271 HydrophobicContact CB-CB 4.16Å; L1232-A1271 HydrophobicContact CD2-CB 4.28Å; E1269-A1271 PolarHBondContact O-N 3.03Å
1272G90.8Very high92.4Very high23 Ų2328 Ų2824%0.23718%0.183CC..EExtended strand (participates in β ladder)trans177.1160.917700000110.9K1223 P1270K1223-G1272 PolarHBondContact N-O 3.41Å; K1223-G1272 PolarHBondContact O-N 2.92Å; P1270-G1272 VanDerWaalsContact C-N 3.29Å
1273G93Very high92.4Very high44 Ų4429.6 Ų29.645%0.45420%0.195SC..EExtended strand (participates in β ladder)trans72.2-172.3-173.100000112.9N1220 N1221N1220-G1273 CarbonylContact O-C 3.59Å; N1220-G1273 WeakPolarHBondContact O-CA 3.49Å; N1221-G1273 WeakPolarHBondContact O-CA 3.2Å
1274S94Very high92.4Very high27 Ų2733.8 Ų33.819%0.18922%0.216CC..EExtended strand (participates in β ladder)trans-145159.7-179.963.90000112.5N1220 D1281N1220-S1274 PolarHBondContact N-O 3.43Å; N1220-S1274 PolarHBondContact O-N 2.84Å; N1220-S1274 VanDerWaalsContact O-N 3.11Å; S1274-D1281 WeakPolarHBondContact CB-OD2 3.42Å
1275I95.4Very high92.3Very high1 Ų134 Ų341%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-116.2128.9170.1-63170.2000107.6V1217 Q1218 F1219 Y1222 A1263 L1264 I1277 I1282V1217-I1275 HydrophobicContact CG1-CG2 4.26Å; Q1218-I1275 CarbonylContact O-C 3.47Å; Q1218-I1275 VanDerWaalsContact O-CA 3.31Å; Q1218-I1275 WeakPolarHBondContact O-CA 3.27Å; F1219-I1275 HydrophobicContact CD1-CD1 3.76Å; F1219-I1275 HydrophobicContact CD1-CG1 3.61Å; F1219-I1275 HydrophobicContact CE1-CD1 3.41Å; F1219-I1275 VanDerWaalsContact CE1-CD1 3.41Å; F1219-I1275 HydrophobicContact CE1-CG1 3.79Å; F1219-I1275 HydrophobicContact CG-CG1 4.31Å; F1219-I1275 HydrophobicContact CZ-CD1 4.23Å; Y1222-I1275 HydrophobicContact CD1-CD1 4.5Å; Y1222-I1275 HydrophobicContact CD2-CD1 3.88Å; Y1222-I1275 HydrophobicContact CD2-CG1 3.53Å; Y1222-I1275 HydrophobicContact CE1-CD1 4.2Å; Y1222-I1275 HydrophobicContact CE2-CD1 3.5Å; Y1222-I1275 HydrophobicContact CE2-CG1 3.56Å; Y1222-I1275 HydrophobicContact CG-CD1 4.35Å; Y1222-I1275 HydrophobicContact CG-CG1 4.16Å; A1263-I1275 HydrophobicContact CB-CD1 3.89Å; L1264-I1275 HydrophobicContact CD2-CG2 4.09Å; I1275-I1277 HydrophobicContact CG2-CG1 4.39Å; I1275-I1282 HydrophobicContact CB-CD1 3.71Å; I1275-I1282 HydrophobicContact CB-CG1 3.98Å; I1275-I1282 HydrophobicContact CD1-CD1 4.2Å; I1275-I1282 HydrophobicContact CG2-CD1 3.82Å; I1275-I1282 HydrophobicContact CG2-CG1 4.32Å; I1275-I1282 PolarHBondContact O-N 3.35Å
1276V95.2Very high92.1Very high20 Ų2034 Ų3412%0.12122%0.218CC..EExtended strand (participates in β ladder)trans-118.1126.5-179.1-178.50000108.7Q1218 S1279 I1280Q1218-V1276 HydrophobicContact CB-CB 4.35Å; Q1218-V1276 PolarHBondContact N-O 3.22Å; Q1218-V1276 PolarHBondContact O-N 2.98Å; V1276-S1279 VanDerWaalsContact CG1-C 3.41Å; V1276-I1280 WeakPolarHBondContact CA-O 3.38Å
1277I94.3Very high92.1Very high0 Ų033.5 Ų33.50%022%0.216CC..EExtended strand (participates in β ladder)trans-116.9121.8174.6-57.3179.4000108.8W1211 P1212 G1216 V1217 I1275 S1279 I1280 I1282 L1294W1211-I1277 HydrophobicContact CH2-CB 4.43Å; W1211-I1277 HydrophobicContact CH2-CG2 4.49Å; W1211-I1277 HydrophobicContact CZ2-CB 3.74Å; W1211-I1277 HydrophobicContact CZ2-CG2 3.89Å; W1211-I1277 PolarHBondContact NE1-O 3.47Å; W1211-I1277 VanDerWaalsContact NE1-O 3.09Å; P1212-I1277 HydrophobicContact CB-CG2 3.83Å; P1212-I1277 HydrophobicContact CG-CG2 4.24Å; G1216-I1277 VanDerWaalsContact O-CA 3.28Å; G1216-I1277 WeakPolarHBondContact O-CA 3.35Å; V1217-I1277 HydrophobicContact CG2-CG1 4.28Å; I1275-I1277 HydrophobicContact CG2-CG1 4.39Å; I1277-S1279 PolarHBondContact O-N 3.45Å; I1277-I1280 PolarHBondContact N-O 3.48Å; I1277-I1280 PolarHBondContact O-N 3.36Å; I1277-I1282 HydrophobicContact CB-CG2 4.17Å; I1277-I1282 HydrophobicContact CD1-CG2 3.69Å; I1277-I1282 HydrophobicContact CG1-CG2 3.71Å; I1277-L1294 HydrophobicContact CD1-CD1 4.46Å; I1277-L1294 HydrophobicContact CD1-CD2 4.12Å
1278D92.9Very high92Very high39 Ų3935.8 Ų35.821%0.20923%0.226CC..THydrogen-bonded Turntrans46.345.8-174-73-6.7000113.4P1212 E1213 K1214 G1215 G1216 I1280P1212-D1278 WeakPolarHBondContact CA-OD2 3.04Å; P1212-D1278 HydrophobicContact CB-CB 4.49Å; P1212-D1278 WeakPolarHBondContact CB-OD2 3.2Å; E1213-D1278 PolarHBondContact N-OD2 3.38Å; K1214-D1278 PolarHBondContact N-OD2 2.81Å; G1215-D1278 PolarHBondContact N-OD1 3.02Å; G1215-D1278 PolarHBondContact N-OD2 3.46Å; G1215-D1278 VanDerWaalsContact N-OD2 3.07Å; G1216-D1278 PolarHBondContact N-OD1 3.07Å; G1216-D1278 PolarHBondContact O-N 3.32Å; D1278-I1280 VanDerWaalsContact C-N 3.25Å; D1278-I1280 PolarHBondContact O-N 2.94Å
1279S87.5Confident92.1Very high117 Ų11735.9 Ų35.982%0.81823%0.228SC*.THydrogen-bonded Turntrans71.35.8-179.3-38.50000116.2V1276 I1277V1276-S1279 VanDerWaalsContact CG1-C 3.41Å; I1277-S1279 PolarHBondContact O-N 3.45Å
1280I91.9Very high92.2Very high38 Ų3832.3 Ų32.320%0.19521%0.211CC..EExtended strand (participates in β ladder)trans-104.8123.1173.8-55-174000109.1P1207 W1211 V1276 I1277 D1278 I1282 I1284 L1285P1207-I1280 HydrophobicContact CB-CD1 4.35Å; W1211-I1280 HydrophobicContact CG-CD1 4.24Å; V1276-I1280 WeakPolarHBondContact CA-O 3.38Å; I1277-I1280 PolarHBondContact N-O 3.48Å; I1277-I1280 PolarHBondContact O-N 3.36Å; D1278-I1280 VanDerWaalsContact C-N 3.25Å; D1278-I1280 PolarHBondContact O-N 2.94Å; I1280-I1282 PolarHBondContact O-N 3.37Å; I1280-I1284 HydrophobicContact CG2-CD1 4.17Å; I1280-I1284 HydrophobicContact CG2-CG1 4.47Å; I1280-L1285 HydrophobicContact CG2-CD1 4.16Å; I1280-L1285 HydrophobicContact CG2-CD2 4.01Å; I1280-L1285 HydrophobicContact CG2-CG 4.12Å
1281D93.2Very high92.3Very high45 Ų4530.5 Ų30.524%0.24120%0.199CC..EExtended strand (participates in β ladder)trans-63.8126.4169.4-172.6-32.6000109.1S1274 T1283 I1284S1274-D1281 WeakPolarHBondContact CB-OD2 3.42Å; D1281-T1283 PolarHBondContact O-N 3.41Å; D1281-T1283 WeakPolarHBondContact OD1-CB 3.45Å; D1281-T1283 WeakPolarHBondContact OD1-CG2 3.16Å; D1281-T1283 PolarHBondContact OD1-N 3.26Å; D1281-T1283 PolarHBondContact OD1-OG1 2.95Å; D1281-T1283 PolarHBondContact OD2-OG1 3.48Å; D1281-I1284 HydrophobicContact CB-CD1 4.26Å; D1281-I1284 HydrophobicContact CB-CG1 4.15Å; D1281-I1284 WeakPolarHBondContact O-CG1 3.4Å
1282I93.5Very high92.3Very high3 Ų329.6 Ų29.62%0.01519%0.19CC..G310 helixtrans-71.6-13.4-175.864.6173.4000113.2R1266 I1275 I1277 I1280 L1285 L1290R1266-I1282 VanDerWaalsContact CD-O 3.25Å; R1266-I1282 WeakPolarHBondContact CD-O 3.36Å; R1266-I1282 HydrophobicContact CG-CD1 3.88Å; R1266-I1282 HydrophobicContact CG-CG1 4.2Å; R1266-I1282 PolarHBondContact NH1-O 3.36Å; I1275-I1282 HydrophobicContact CB-CD1 3.71Å; I1275-I1282 HydrophobicContact CB-CG1 3.98Å; I1275-I1282 HydrophobicContact CD1-CD1 4.2Å; I1275-I1282 HydrophobicContact CG2-CD1 3.82Å; I1275-I1282 HydrophobicContact CG2-CG1 4.32Å; I1275-I1282 PolarHBondContact O-N 3.35Å; I1277-I1282 HydrophobicContact CB-CG2 4.17Å; I1277-I1282 HydrophobicContact CD1-CG2 3.69Å; I1277-I1282 HydrophobicContact CG1-CG2 3.71Å; I1280-I1282 PolarHBondContact O-N 3.37Å; I1282-L1285 PolarHBondContact O-N 3Å; I1282-L1290 HydrophobicContact CB-CD1 3.97Å; I1282-L1290 HydrophobicContact CB-CD2 4.08Å; I1282-L1290 HydrophobicContact CD1-CD2 4.3Å; I1282-L1290 HydrophobicContact CG2-CD1 3.8Å
1283T91.1Very high92.3Very high52 Ų5233 Ų3332%0.31920%0.195SC..G310 helixtrans-71.5-29.2179.759.60000113.5R1266 P1270 D1281 L1285R1266-T1283 PolarHBondContact NH1-O 3.12Å; R1266-T1283 VanDerWaalsContact NH1-O 3.1Å; P1270-T1283 HydrophobicContact CG-CG2 3.87Å; D1281-T1283 PolarHBondContact O-N 3.41Å; D1281-T1283 WeakPolarHBondContact OD1-CB 3.45Å; D1281-T1283 WeakPolarHBondContact OD1-CG2 3.16Å; D1281-T1283 PolarHBondContact OD1-N 3.26Å; D1281-T1283 PolarHBondContact OD1-OG1 2.95Å; D1281-T1283 PolarHBondContact OD2-OG1 3.48Å; T1283-L1285 VanDerWaalsContact C-N 3.33Å
1284I91.3Very high92.3Very high89 Ų8931 Ų3146%0.45617%0.174SC..G310 helixtrans-79.7-12.1177.639.7173.6000113.5N1203 N1205 I1280 D1281N1203-I1284 PolarHBondContact ND2-O 3.48Å; N1205-I1284 WeakPolarHBondContact CB-O 3.35Å; N1205-I1284 PolarHBondContact ND2-O 2.96Å; I1280-I1284 HydrophobicContact CG2-CD1 4.17Å; I1280-I1284 HydrophobicContact CG2-CG1 4.47Å; D1281-I1284 HydrophobicContact CB-CD1 4.26Å; D1281-I1284 HydrophobicContact CB-CG1 4.15Å; D1281-I1284 WeakPolarHBondContact O-CG1 3.4Å
1285L91.8Very high92.2Very high7 Ų729.8 Ų29.84%0.03717%0.165CC..SBendtrans-85.9145.7179-59.5-180000111.6P1207 W1211 R1266 I1280 I1282 T1283P1207-L1285 HydrophobicContact CB-CD2 4.03Å; P1207-L1285 HydrophobicContact CG-CD2 4.09Å; W1211-L1285 HydrophobicContact CE3-CD1 4.48Å; W1211-L1285 HydrophobicContact CH2-CD1 3.42Å; W1211-L1285 VanDerWaalsContact CH2-CD1 3.42Å; W1211-L1285 HydrophobicContact CZ2-CD1 3.75Å; W1211-L1285 HydrophobicContact CZ3-CD1 3.84Å; R1266-L1285 PolarHBondContact NH1-O 2.68Å; I1280-L1285 HydrophobicContact CG2-CD1 4.16Å; I1280-L1285 HydrophobicContact CG2-CD2 4.01Å; I1280-L1285 HydrophobicContact CG2-CG 4.12Å; I1282-L1285 PolarHBondContact O-N 3Å; T1283-L1285 VanDerWaalsContact C-N 3.33Å
1286G92.1Very high92.1Very high1 Ų129.9 Ų29.91%0.0117%0.166CC..  trans-63.1144.5165.600000111.5E1200 W1201 N1203 H1288 S1289 L1290E1200-G1286 WeakPolarHBondContact O-CA 3.32Å; W1201-G1286 CarbonylContact O-C 3.56Å; N1203-G1286 PolarHBondContact ND2-N 3.14Å; N1203-G1286 PolarHBondContact OD1-N 3.03Å; G1286-H1288 VanDerWaalsContact C-N 3.28Å; G1286-H1288 PolarHBondContact O-N 3.4Å; G1286-S1289 WeakPolarHBondContact O-CB 3.46Å; G1286-S1289 PolarHBondContact O-N 3.44Å; G1286-L1290 PolarHBondContact O-N 3.15Å; G1286-L1290 VanDerWaalsContact O-N 3.12Å
1287L92.2Very high91.9Very high2 Ų229 Ų291%0.0116%0.16CC..Hα-helixtrans-59.2-37.1-173-66.8176.7000113.1E1198 A1199 E1200 W1201 R1266 L1290 R1291E1198-L1287 HydrophobicContact CB-CD1 3.69Å; A1199-L1287 HydrophobicContact CB-CD1 4.18Å; A1199-L1287 HydrophobicContact CB-CD2 4.42Å; A1199-L1287 HydrophobicContact CB-CG 4.23Å; A1199-L1287 VanDerWaalsContact O-CD1 3.26Å; A1199-L1287 WeakPolarHBondContact O-CD1 3.34Å; E1200-L1287 PolarHBondContact O-N 3.19Å; E1200-L1287 VanDerWaalsContact O-N 3.11Å; W1201-L1287 PolarHBondContact O-N 3.11Å; R1266-L1287 HydrophobicContact CB-CD2 3.97Å; L1287-L1290 PolarHBondContact O-N 3.12Å; L1287-R1291 VanDerWaalsContact O-CB 3.31Å; L1287-R1291 WeakPolarHBondContact O-CB 3.18Å; L1287-R1291 WeakPolarHBondContact O-CG 3.41Å; L1287-R1291 PolarHBondContact O-N 2.99Å
1288H91.2Very high91.6Very high56 Ų5629.5 Ų29.526%0.25916%0.164SC..Hα-helixtrans-64.5-45.4176-179.5-108.3000111.7W1201 E1202 G1286 L1290 S1292W1201-H1288 HydrophobicContact CD2-CB 3.89Å; W1201-H1288 AromaticContact CE2-CD2 3.83Å; W1201-H1288 AromaticContact CE2-CG 3.82Å; W1201-H1288 HydrophobicContact CE3-CB 4.41Å; W1201-H1288 HydrophobicContact CG-CB 4.3Å; W1201-H1288 HydrophobicContact CH2-CB 4.34Å; W1201-H1288 AromaticContact CH2-CD2 3.98Å; W1201-H1288 HydrophobicContact CZ2-CB 3.78Å; W1201-H1288 AromaticContact CZ2-CD2 3.29Å; W1201-H1288 WeakPolarHBondContact CZ2-CD2 3.4Å; W1201-H1288 AromaticContact CZ2-CG 3.76Å; W1201-H1288 AromaticContact NE1-CG 3.84Å; W1201-H1288 VanDerWaalsContact O-CB 3.28Å; W1201-H1288 WeakPolarHBondContact O-CB 3.34Å; W1201-H1288 PolarHBondContact O-N 2.96Å; E1202-H1288 HydrophobicContact CG-CB 4.49Å; G1286-H1288 VanDerWaalsContact C-N 3.28Å; G1286-H1288 PolarHBondContact O-N 3.4Å; H1288-L1290 VanDerWaalsContact C-N 3.27Å; H1288-L1290 PolarHBondContact O-N 2.93Å; H1288-S1292 WeakPolarHBondContact O-CB 3.15Å; H1288-S1292 PolarHBondContact O-N 3.35Å; H1288-S1292 PolarHBondContact O-OG 3.35Å
1289S90.6Very high91Very high18 Ų1831.6 Ų31.613%0.12617%0.172CC..Hα-helixtrans-61.1-35.5178.8-61.10000112.3G1286 R1293G1286-S1289 WeakPolarHBondContact O-CB 3.46Å; G1286-S1289 PolarHBondContact O-N 3.44Å; S1289-R1293 WeakPolarHBondContact O-CG 2.99Å
1290L93.4Very high90.5Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-74.7-59.9175.2176.364.5000112W1211 R1266 I1282 G1286 L1287 H1288 S1292 R1293 L1294W1211-L1290 HydrophobicContact CH2-CD1 3.8Å; W1211-L1290 HydrophobicContact CZ3-CD1 4.36Å; R1266-L1290 HydrophobicContact CB-CD2 4.02Å; R1266-L1290 HydrophobicContact CG-CD2 3.73Å; I1282-L1290 HydrophobicContact CB-CD1 3.97Å; I1282-L1290 HydrophobicContact CB-CD2 4.08Å; I1282-L1290 HydrophobicContact CD1-CD2 4.3Å; I1282-L1290 HydrophobicContact CG2-CD1 3.8Å; G1286-L1290 PolarHBondContact O-N 3.15Å; G1286-L1290 VanDerWaalsContact O-N 3.12Å; L1287-L1290 PolarHBondContact O-N 3.12Å; H1288-L1290 VanDerWaalsContact C-N 3.27Å; H1288-L1290 PolarHBondContact O-N 2.93Å; L1290-S1292 VanDerWaalsContact C-N 3.32Å; L1290-S1292 PolarHBondContact O-N 3.38Å; L1290-R1293 PolarHBondContact O-N 3.45Å; L1290-L1294 HydrophobicContact CD1-CD1 3.78Å; L1290-L1294 HydrophobicContact CD1-CG 4.36Å; L1290-L1294 HydrophobicContact CG-CD1 4.16Å; L1290-L1294 PolarHBondContact O-N 3.48Å
1291R93.8Very high90.2Very high0 Ų031.8 Ų31.80%016%0.16CC..Hα-helixtrans-65.4-33.8-171.2-68.2164.9175.4174.910112K422 A425 E427 E1198 F1265 R1266 L1287 R1293 L1294 R1370K422-R1291 WeakPolarHBondContact O-CD 3.37Å; A425-R1291 HydrophobicContact CB-CB 4.12Å; E427-R1291 IonicContact OE1-NH1 3.95Å; E1198-R1291 IonicContact OE1-NH2 2.84Å; E1198-R1291 IonicContact OE2-CZ 3.16Å; E1198-R1291 IonicContact OE2-NH1 2.83Å; E1198-R1291 PolarHBondContact OE2-NH1 3.06Å; E1198-R1291 IonicContact OE2-NH2 2.77Å; E1198-R1291 PolarHBondContact OE2-NH2 3.4Å; F1265-R1291 PolarHBondContact O-NE 3.21Å; F1265-R1291 VanDerWaalsContact O-NE 3.08Å; R1266-R1291 PolarHBondContact O-NH2 3.46Å; L1287-R1291 VanDerWaalsContact O-CB 3.31Å; L1287-R1291 WeakPolarHBondContact O-CB 3.18Å; L1287-R1291 WeakPolarHBondContact O-CG 3.41Å; L1287-R1291 PolarHBondContact O-N 2.99Å; R1291-R1293 PolarHBondContact O-N 3.38Å; R1291-L1294 PolarHBondContact O-N 3.3Å; R1291-L1294 VanDerWaalsContact O-O 3.06Å; R1291-R1370 PolarHBondContact O-NH2 3.37Å
1292S89.8Confident89.9Confident40 Ų4031.2 Ų31.228%0.2816%0.158SC..THydrogen-bonded Turntrans-64.8-17.7174.565.20000113.7H1288 L1290 R1370H1288-S1292 WeakPolarHBondContact O-CB 3.15Å; H1288-S1292 PolarHBondContact O-N 3.35Å; H1288-S1292 PolarHBondContact O-OG 3.35Å; L1290-S1292 VanDerWaalsContact C-N 3.32Å; L1290-S1292 PolarHBondContact O-N 3.38Å; S1292-R1370 VanDerWaalsContact CA-NH2 3.31Å; S1292-R1370 PolarHBondContact O-NH2 2.9Å
1293R90.8Very high89.7Confident95 Ų9531.2 Ų31.236%0.35816%0.158SC..THydrogen-bonded Turntrans-106-0.2-178.4-60.2-63.3-176.3150.110115K1209 W1211 S1289 L1290 R1291 T1372K1209-R1293 PolarHBondContact O-NH1 2.92Å; K1209-R1293 PolarHBondContact O-NH2 3.42Å; W1211-R1293 HydrophobicContact CE3-CB 4.27Å; W1211-R1293 HydrophobicContact CE3-CG 4.27Å; W1211-R1293 HydrophobicContact CZ3-CB 4.05Å; W1211-R1293 HydrophobicContact CZ3-CG 4.37Å; W1211-R1293 WeakPolarHBondContact O-CD 3.24Å; S1289-R1293 WeakPolarHBondContact O-CG 2.99Å; L1290-R1293 PolarHBondContact O-N 3.45Å; R1291-R1293 PolarHBondContact O-N 3.38Å; R1293-T1372 VanDerWaalsContact C-CG2 3.42Å; R1293-T1372 WeakPolarHBondContact O-CB 3.36Å; R1293-T1372 VanDerWaalsContact O-CG2 3.25Å; R1293-T1372 WeakPolarHBondContact O-CG2 3.44Å
1294L92.7Very high89.6Confident2 Ų228.8 Ų28.81%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-118.6143.1175.1-58.6178.1000110.1L1264 F1265 I1277 L1290 R1291 R1370 V1374L1264-L1294 WeakPolarHBondContact O-CD1 3.14Å; F1265-L1294 HydrophobicContact CD1-CB 4.06Å; F1265-L1294 HydrophobicContact CD1-CD1 4.32Å; F1265-L1294 HydrophobicContact CE1-CB 3.42Å; F1265-L1294 VanDerWaalsContact CE1-CB 3.42Å; F1265-L1294 HydrophobicContact CE1-CD1 4.4Å; F1265-L1294 HydrophobicContact CG-CD1 4.47Å; F1265-L1294 HydrophobicContact CZ-CB 3.68Å; I1277-L1294 HydrophobicContact CD1-CD1 4.46Å; I1277-L1294 HydrophobicContact CD1-CD2 4.12Å; L1290-L1294 HydrophobicContact CD1-CD1 3.78Å; L1290-L1294 HydrophobicContact CD1-CG 4.36Å; L1290-L1294 HydrophobicContact CG-CD1 4.16Å; L1290-L1294 PolarHBondContact O-N 3.48Å; R1291-L1294 PolarHBondContact O-N 3.3Å; R1291-L1294 VanDerWaalsContact O-O 3.06Å; L1294-R1370 PolarHBondContact O-NH1 3.18Å; L1294-R1370 PolarHBondContact O-NH2 3.37Å; L1294-V1374 HydrophobicContact CD2-CB 3.66Å; L1294-V1374 HydrophobicContact CD2-CG1 4.07Å; L1294-V1374 HydrophobicContact CD2-CG2 4.08Å
1295T92.4Very high89.3Confident0 Ų025.8 Ų25.80%013%0.13CC..EExtended strand (participates in β ladder)trans-122.9141.1176.8-54.40000111.6A1367 T1372 V1374 L1375 V1376T1295-A1367 HydrophobicContact CG2-CB 3.69Å; T1295-T1372 WeakPolarHBondContact CB-OG1 3.33Å; T1295-T1372 PolarHBondContact N-OG1 2.92Å; T1295-T1372 VanDerWaalsContact OG1-CG2 3.23Å; T1295-T1372 WeakPolarHBondContact OG1-CG2 3.24Å; T1295-T1372 PolarHBondContact OG1-OG1 3.25Å; T1295-V1374 PolarHBondContact N-O 2.9Å; T1295-L1375 HydrophobicContact CG2-CD1 4.13Å; T1295-L1375 CarbonylContact O-C 3.47Å; T1295-L1375 WeakPolarHBondContact O-CA 3.27Å; T1295-V1376 PolarHBondContact O-N 2.87Å
1296I92.5Very high89Confident3 Ų326.5 Ų26.52%0.01514%0.139CC..EExtended strand (participates in β ladder)trans-127.9143.1177-174.2164.4000110.4L423 Y424 F1265 V1376 D1378L423-I1296 HydrophobicContact CB-CG2 3.86Å; L423-I1296 HydrophobicContact CD1-CD1 4.26Å; L423-I1296 HydrophobicContact CD1-CG2 4.07Å; L423-I1296 HydrophobicContact CD2-CD1 4.44Å; L423-I1296 HydrophobicContact CD2-CG2 4.28Å; L423-I1296 HydrophobicContact CG-CG2 4.28Å; Y424-I1296 HydrophobicContact CE1-CG2 4.43Å; Y424-I1296 PolarHBondContact OH-O 3.38Å; F1265-I1296 HydrophobicContact CE1-CB 4.41Å; F1265-I1296 HydrophobicContact CE1-CG2 4.25Å; F1265-I1296 HydrophobicContact CE2-CB 3.97Å; F1265-I1296 HydrophobicContact CE2-CD1 4.23Å; F1265-I1296 HydrophobicContact CE2-CG2 4.46Å; F1265-I1296 HydrophobicContact CZ-CB 3.64Å; F1265-I1296 HydrophobicContact CZ-CG2 3.95Å; I1296-V1376 CarbonylContact C-O 3.47Å; I1296-V1376 VanDerWaalsContact CA-O 3.26Å; I1296-V1376 WeakPolarHBondContact CA-O 3.46Å; I1296-V1376 HydrophobicContact CB-CB 4.35Å; I1296-V1376 HydrophobicContact CD1-CB 4.45Å; I1296-V1376 HydrophobicContact CD1-CG1 4.23Å; I1296-V1376 HydrophobicContact CG1-CB 4.13Å; I1296-V1376 HydrophobicContact CG1-CG1 4.28Å; I1296-D1378 HydrophobicContact CD1-CB 4.42Å
1297I91.5Very high89Confident1 Ų127.5 Ų27.51%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-108.4107.7162.4-55.4-171.9000106.4C1363 L1364 A1367 L1375 V1376 L1377 D1378 A1380I1297-C1363 HydrophobicContact CG2-CB 4.21Å; I1297-L1364 HydrophobicContact CD1-CB 4.27Å; I1297-L1364 HydrophobicContact CD1-CD1 3.76Å; I1297-A1367 HydrophobicContact CD1-CB 4.13Å; I1297-A1367 HydrophobicContact CG1-CB 4.17Å; I1297-L1375 HydrophobicContact CG1-CD1 4.34Å; I1297-V1376 PolarHBondContact N-O 3.29Å; I1297-L1377 HydrophobicContact CB-CD2 3.8Å; I1297-L1377 HydrophobicContact CD1-CD2 3.56Å; I1297-L1377 HydrophobicContact CG1-CD2 3.79Å; I1297-D1378 PolarHBondContact O-N 3.09Å; I1297-A1380 HydrophobicContact CB-CB 4.27Å; I1297-A1380 HydrophobicContact CG2-CB 3.7Å
1298P86.8Confident89.1Confident12 Ų1227.4 Ų27.48%0.07815%0.146CC..  trans-77.2164.5-174.832.5-35.8000112.6E1300 Q1360 D1378P1298-E1300 WeakPolarHBondContact CG-O 3.49Å; P1298-Q1360 PolarHBondContact O-NE2 3.27Å; P1298-D1378 CarbonylContact C-O 3.43Å
1299Q80.1Confident89.2Confident82 Ų8225.5 Ų25.538%0.38314%0.136SC..SBendtrans-62.1-46.3175.4-179.1174.114.200111.9D1378 E1379Q1299-D1378 WeakPolarHBondContact CA-O 3.21Å; Q1299-D1378 VanDerWaalsContact CB-O 3.26Å; Q1299-D1378 WeakPolarHBondContact CB-O 3.47Å; Q1299-D1378 PolarHBondContact N-O 3.06Å; Q1299-E1379 HydrophobicContact CB-CB 4.19Å; Q1299-E1379 VanDerWaalsContact CD-OE2 3.3Å; Q1299-E1379 HydrophobicContact CG-CB 3.91Å; Q1299-E1379 PolarHBondContact NE2-OE2 3.25Å
1300E77.5Confident89.3Confident150 Ų15026.1 Ų26.170%0.70114%0.137SC*.SBendtrans-100.7113.3174.3-68.2-177.2178.500109.7P1298 V1302P1298-E1300 WeakPolarHBondContact CG-O 3.49Å; E1300-V1302 PolarHBondContact O-N 3.25Å; E1300-V1302 VanDerWaalsContact O-N 3.11Å
1301P85.1Confident89.2Confident10 Ų1026.1 Ų26.17%0.06514%0.137CC..  trans-74.2106.4177.927.8-32.4000110.8R1359 Q1360P1301-R1359 HydrophobicContact CB-CB 3.7Å; P1301-R1359 HydrophobicContact CG-CB 3.61Å; P1301-Q1360 VanDerWaalsContact CD-OE1 3.27Å
1302V87.1Confident89.2Confident32 Ų3226.4 Ų26.419%0.19414%0.139CC..  trans-88.8121.3177.1-176.90000110.6V420 E1300 F1304 R1366V420-V1302 HydrophobicContact CB-CB 4.3Å; V420-V1302 HydrophobicContact CB-CG2 4.49Å; V420-V1302 HydrophobicContact CG1-CB 4.33Å; V420-V1302 HydrophobicContact CG2-CB 3.97Å; V420-V1302 HydrophobicContact CG2-CG2 3.7Å; E1300-V1302 PolarHBondContact O-N 3.25Å; E1300-V1302 VanDerWaalsContact O-N 3.11Å; V1302-F1304 HydrophobicContact CG1-CE1 4.34Å; V1302-F1304 HydrophobicContact CG1-CE2 4.4Å; V1302-F1304 HydrophobicContact CG1-CZ 4.11Å; V1302-R1366 PolarHBondContact O-NH1 2.94Å; V1302-R1366 PolarHBondContact O-NH2 2.83Å
1303L89.2Confident89.3Confident3 Ų324.8 Ų24.82%0.01613%0.127CC..  trans-112.2146.4166-55.6-176.4000109.9V1347 F1354 R1359 M1362 R1366L1303-V1347 HydrophobicContact CB-CG1 3.85Å; L1303-V1347 HydrophobicContact CD1-CG1 3.92Å; L1303-F1354 HydrophobicContact CD1-CD2 4.32Å; L1303-R1359 HydrophobicContact CD1-CB 4.25Å; L1303-R1359 HydrophobicContact CD1-CG 3.66Å; L1303-R1359 HydrophobicContact CG-CB 4.4Å; L1303-R1359 HydrophobicContact CG-CG 4.16Å; L1303-M1362 HydrophobicContact CD1-CE 4.5Å; L1303-M1362 HydrophobicContact CD1-SD 3.43Å; L1303-M1362 WeakPolarHBondContact CD1-SD 3.28Å; L1303-M1362 HydrophobicContact CD2-CB 4.08Å; L1303-M1362 HydrophobicContact CD2-SD 4.02Å; L1303-M1362 HydrophobicContact CG-SD 4.4Å; L1303-R1366 VanDerWaalsContact CD2-NH2 3.29Å
1304F89.8Confident89.3Confident1 Ų120.9 Ų20.90%0.00411%0.114CC..  trans-103.1152.5179.8-60.2-83.5000110.4E413 L421 W426 F430 V1302 G1306 M1310 N1311E413-F1304 HydrophobicContact CB-CD1 4.39Å; L421-F1304 HydrophobicContact CD1-CE1 3.61Å; L421-F1304 HydrophobicContact CD1-CZ 3.66Å; L421-F1304 HydrophobicContact CG-CE1 4.19Å; L421-F1304 HydrophobicContact CG-CE2 4.48Å; L421-F1304 HydrophobicContact CG-CZ 3.72Å; W426-F1304 HydrophobicContact CE3-CE2 4.07Å; W426-F1304 HydrophobicContact CZ3-CD2 4.24Å; W426-F1304 AromaticContact CZ3-CE2 3.96Å; W426-F1304 HydrophobicContact CZ3-CE2 3.96Å; F430-F1304 HydrophobicContact CE1-CB 3.99Å; F430-F1304 AromaticContact CE1-CD1 3.85Å; F430-F1304 HydrophobicContact CE1-CD1 3.85Å; F430-F1304 HydrophobicContact CE1-CD2 4.34Å; F430-F1304 HydrophobicContact CE1-CE1 4.45Å; F430-F1304 AromaticContact CE1-CG 3.79Å; F430-F1304 HydrophobicContact CE1-CG 3.79Å; F430-F1304 HydrophobicContact CE2-CD2 4.49Å; F430-F1304 HydrophobicContact CZ-CB 3.94Å; F430-F1304 AromaticContact CZ-CD1 4Å; F430-F1304 HydrophobicContact CZ-CD1 4Å; F430-F1304 AromaticContact CZ-CD2 3.66Å; F430-F1304 HydrophobicContact CZ-CD2 3.66Å; F430-F1304 HydrophobicContact CZ-CE1 4.46Å; F430-F1304 HydrophobicContact CZ-CE2 4.16Å; F430-F1304 AromaticContact CZ-CG 3.58Å; F430-F1304 HydrophobicContact CZ-CG 3.58Å; V1302-F1304 HydrophobicContact CG1-CE1 4.34Å; V1302-F1304 HydrophobicContact CG1-CE2 4.4Å; V1302-F1304 HydrophobicContact CG1-CZ 4.11Å; F1304-G1306 PolarHBondContact O-N 3.49Å; F1304-M1310 HydrophobicContact CB-CE 3.86Å; F1304-N1311 PolarHBondContact N-OD1 3.31Å; F1304-N1311 PolarHBondContact O-ND2 2.9Å; F1304-N1311 PolarHBondContact O-OD1 2.79Å
1305C84.5Confident89.1Confident27 Ų2725.4 Ų25.418%0.18213%0.134CC..SBendtrans-60.8134171.9-84.20000110.5K409 E413 V1347 E1349K409-C1305 PolarHBondContact NZ-SG 3.48Å; E413-C1305 VanDerWaalsContact OE1-CB 3.28Å; E413-C1305 WeakPolarHBondContact OE1-CB 3.42Å; E413-C1305 PolarHBondContact OE1-SG 2.89Å; E413-C1305 WeakPolarHBondContact OE2-CB 3.25Å; E413-C1305 PolarHBondContact OE2-N 3.24Å; C1305-V1347 WeakPolarHBondContact CA-O 3.33Å; C1305-E1349 WeakPolarHBondContact SG-CA 3.48Å; C1305-E1349 PolarHBondContact SG-N 3.37Å
1306G86.8Confident88.9Confident22 Ų2233.1 Ų33.123%0.22717%0.17CC..EExtended strand (participates in β ladder)trans143.4-171.4-178.600000111.1F1304 V1347F1304-G1306 PolarHBondContact O-N 3.49Å; G1306-V1347 PolarHBondContact N-O 2.81Å; G1306-V1347 WeakPolarHBondContact O-CB 3.3Å; G1306-V1347 PolarHBondContact O-N 3.19Å
1307S92Very high88.6Confident22 Ų2236.5 Ų36.515%0.15420%0.198CC..EExtended strand (participates in β ladder)trans-69.1154.5179.359.10000112.2R1309 M1310 N1311 Q1344 Y1345S1307-R1309 PolarHBondContact O-N 3.34Å; S1307-M1310 WeakPolarHBondContact O-CB 3.06Å; S1307-M1310 PolarHBondContact O-N 3Å; S1307-M1310 VanDerWaalsContact O-N 3.14Å; S1307-M1310 WeakPolarHBondContact OG-CB 3.23Å; S1307-M1310 PolarHBondContact OG-N 3.42Å; S1307-M1310 VanDerWaalsContact OG-N 3.15Å; S1307-N1311 PolarHBondContact O-N 3.25Å; S1307-N1311 PolarHBondContact O-ND2 3.49Å; S1307-N1311 VanDerWaalsContact O-ND2 3.11Å; S1307-Q1344 PolarHBondContact OG-OE1 3.21Å; S1307-Y1345 CarbonylContact C-O 3.59Å; S1307-Y1345 WeakPolarHBondContact CA-O 3.4Å
1308V92.7Very high88.7Confident0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-52.1-42.7166.6167.10000110.2M1310 N1311 L1312 I1336 L1343 Y1345 V1347 F1354 M1362V1308-M1310 VanDerWaalsContact C-N 3.33Å; V1308-M1310 PolarHBondContact O-N 3.26Å; V1308-N1311 PolarHBondContact O-N 3.23Å; V1308-N1311 VanDerWaalsContact O-N 3.13Å; V1308-L1312 HydrophobicContact CG1-CD1 3.82Å; V1308-L1312 HydrophobicContact CG1-CG 4.37Å; V1308-L1312 WeakPolarHBondContact O-CG 3.37Å; V1308-L1312 PolarHBondContact O-N 2.9Å; V1308-I1336 HydrophobicContact CG1-CD1 4.25Å; V1308-I1336 HydrophobicContact CG1-CG2 4.22Å; V1308-I1336 HydrophobicContact CG2-CD1 4.23Å; V1308-L1343 WeakPolarHBondContact CB-O 3.46Å; V1308-L1343 HydrophobicContact CG1-CD2 4.31Å; V1308-L1343 PolarHBondContact N-O 3.01Å; V1308-Y1345 HydrophobicContact CG2-CD1 4.4Å; V1308-Y1345 PolarHBondContact N-O 2.91Å; V1308-V1347 HydrophobicContact CG2-CG2 4.01Å; V1308-F1354 HydrophobicContact CG2-CZ 4.08Å; V1308-M1362 HydrophobicContact CB-CE 4.2Å; V1308-M1362 HydrophobicContact CG1-CE 3.68Å; V1308-M1362 HydrophobicContact CG2-CE 4.05Å
1309R94.1Very high89Confident16 Ų1642 Ų426%0.0623%0.226CC..Hα-helixtrans-54.2-47.6175.8-175.464.9-174.179.6-3.8112.7S1307 N1311 L1312 D1313 Y1318 D1320 L1343S1307-R1309 PolarHBondContact O-N 3.34Å; R1309-N1311 VanDerWaalsContact C-N 3.33Å; R1309-L1312 PolarHBondContact O-N 2.69Å; R1309-D1313 IonicContact CZ-OD2 3.78Å; R1309-D1313 PolarHBondContact NH1-O 3.17Å; R1309-D1313 IonicContact NH1-OD2 3.59Å; R1309-D1313 PolarHBondContact NH1-OD2 2.9Å; R1309-D1313 IonicContact NH2-OD2 2.67Å; R1309-D1313 PolarHBondContact NH2-OD2 3.16Å; R1309-D1313 PolarHBondContact O-N 3.19Å; R1309-Y1318 PolarHBondContact NH2-O 2.91Å; R1309-D1320 WeakPolarHBondContact CD-OD1 3.43Å; R1309-D1320 IonicContact CZ-OD1 2.82Å; R1309-D1320 IonicContact NE-OD1 3.23Å; R1309-D1320 PolarHBondContact NE-OD1 2.97Å; R1309-L1343 HydrophobicContact CB-CB 4.19Å; R1309-L1343 WeakPolarHBondContact CB-O 3.48Å; R1309-L1343 PolarHBondContact N-O 3.43Å
1310M91.9Very high89.6Confident30 Ų3042 Ų4215%0.14823%0.229CC..Hα-helixtrans-65.1-38.5179.3-174.6-145.392.900111.6F430 K433 F1304 S1307 V1308 L1312 P1314F430-M1310 HydrophobicContact CE1-CE 4.21Å; F430-M1310 HydrophobicContact CZ-CE 3.79Å; K433-M1310 PolarHBondContact NZ-SD 3.34Å; F1304-M1310 HydrophobicContact CB-CE 3.86Å; S1307-M1310 WeakPolarHBondContact O-CB 3.06Å; S1307-M1310 PolarHBondContact O-N 3Å; S1307-M1310 VanDerWaalsContact O-N 3.14Å; S1307-M1310 WeakPolarHBondContact OG-CB 3.23Å; S1307-M1310 PolarHBondContact OG-N 3.42Å; S1307-M1310 VanDerWaalsContact OG-N 3.15Å; V1308-M1310 VanDerWaalsContact C-N 3.33Å; V1308-M1310 PolarHBondContact O-N 3.26Å; M1310-L1312 VanDerWaalsContact C-N 3.29Å; M1310-L1312 PolarHBondContact O-N 2.96Å; M1310-P1314 WeakPolarHBondContact O-CA 3.29Å; M1310-P1314 WeakPolarHBondContact O-CD 3.4Å; M1310-P1314 WeakPolarHBondContact O-CG 3.31Å
1311N92.3Very high90.4Very high0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-71.4-23.1179.2-87.7-79.1000113.5W426 F1304 S1307 V1308 R1309 M1362 R1366W426-N1311 WeakPolarHBondContact CH2-O 3.27Å; F1304-N1311 PolarHBondContact N-OD1 3.31Å; F1304-N1311 PolarHBondContact O-ND2 2.9Å; F1304-N1311 PolarHBondContact O-OD1 2.79Å; S1307-N1311 PolarHBondContact O-N 3.25Å; S1307-N1311 PolarHBondContact O-ND2 3.49Å; S1307-N1311 VanDerWaalsContact O-ND2 3.11Å; V1308-N1311 PolarHBondContact O-N 3.23Å; V1308-N1311 VanDerWaalsContact O-N 3.13Å; R1309-N1311 VanDerWaalsContact C-N 3.33Å; N1311-M1362 HydrophobicContact CB-CE 4.46Å; N1311-R1366 VanDerWaalsContact O-CZ 3.3Å; N1311-R1366 PolarHBondContact O-NE 3.06Å; N1311-R1366 PolarHBondContact O-NH2 3.43Å; N1311-R1366 PolarHBondContact OD1-NH2 2.89Å
1312L93.4Very high90.7Very high6 Ų646.1 Ų46.13%0.03125%0.247CC..Hα-helixtrans-89.7-42.4178.9-67.2175000112.2V1308 R1309 M1310 V1323 L1327 M1362 T1365 R1366 L1369V1308-L1312 HydrophobicContact CG1-CD1 3.82Å; V1308-L1312 HydrophobicContact CG1-CG 4.37Å; V1308-L1312 WeakPolarHBondContact O-CG 3.37Å; V1308-L1312 PolarHBondContact O-N 2.9Å; R1309-L1312 PolarHBondContact O-N 2.69Å; M1310-L1312 VanDerWaalsContact C-N 3.29Å; M1310-L1312 PolarHBondContact O-N 2.96Å; L1312-V1323 HydrophobicContact CB-CG1 4.49Å; L1312-V1323 HydrophobicContact CD1-CG1 3.7Å; L1312-L1327 HydrophobicContact CD1-CD1 4.08Å; L1312-L1327 HydrophobicContact CD1-CD2 3.94Å; L1312-L1327 HydrophobicContact CD1-CG 4.05Å; L1312-M1362 HydrophobicContact CD2-CB 4.47Å; L1312-M1362 HydrophobicContact CD2-CE 4.36Å; L1312-M1362 HydrophobicContact CG-CE 4.45Å; L1312-T1365 HydrophobicContact CD1-CG2 4.15Å; L1312-T1365 HydrophobicContact CD2-CG2 3.65Å; L1312-T1365 HydrophobicContact CG-CG2 4.47Å; L1312-R1366 HydrophobicContact CD2-CG 4.28Å; L1312-L1369 HydrophobicContact CB-CD1 4.14Å
1313D93Very high91Very high7 Ų744.6 Ų44.64%0.03724%0.238CC..  trans-145.290.2178155.844.5000110.2R1309 F1315 E1316 A1317 Y1318R1309-D1313 IonicContact CZ-OD2 3.78Å; R1309-D1313 PolarHBondContact NH1-O 3.17Å; R1309-D1313 IonicContact NH1-OD2 3.59Å; R1309-D1313 PolarHBondContact NH1-OD2 2.9Å; R1309-D1313 IonicContact NH2-OD2 2.67Å; R1309-D1313 PolarHBondContact NH2-OD2 3.16Å; R1309-D1313 PolarHBondContact O-N 3.19Å; D1313-F1315 PolarHBondContact O-N 3.46Å; D1313-F1315 PolarHBondContact OD1-N 3.23Å; D1313-E1316 PolarHBondContact O-N 2.99Å; D1313-E1316 PolarHBondContact OD1-N 3.33Å; D1313-E1316 VanDerWaalsContact OD1-N 3.13Å; D1313-E1316 VanDerWaalsContact OD2-CA 3.23Å; D1313-E1316 WeakPolarHBondContact OD2-CA 3.36Å; D1313-A1317 PolarHBondContact OD1-N 2.97Å; D1313-A1317 PolarHBondContact OD2-N 3.02Å; D1313-Y1318 HydrophobicContact CB-CD2 3.96Å; D1313-Y1318 PolarHBondContact OD2-N 2.67Å; D1313-Y1318 VanDerWaalsContact OD2-N 3.12Å
1314P89.5Confident91.3Very high13 Ų1347 Ų478%0.08425%0.247CC..THydrogen-bonded Turntrans-72.2-10.9-177.5-1222.4000115.2W426 S429 F430 M1310W426-P1314 HydrophobicContact CD2-CG 3.5Å; W426-P1314 VanDerWaalsContact CD2-CG 3.5Å; W426-P1314 VanDerWaalsContact CE2-CG 3.43Å; W426-P1314 HydrophobicContact CE3-CG 3.75Å; W426-P1314 HydrophobicContact CG-CG 4.04Å; W426-P1314 HydrophobicContact CH2-CG 3.86Å; W426-P1314 HydrophobicContact CZ2-CG 3.63Å; W426-P1314 HydrophobicContact CZ3-CG 3.92Å; S429-P1314 PolarHBondContact OG-O 3.3Å; F430-P1314 HydrophobicContact CE2-CB 4.48Å; M1310-P1314 WeakPolarHBondContact O-CA 3.29Å; M1310-P1314 WeakPolarHBondContact O-CD 3.4Å; M1310-P1314 WeakPolarHBondContact O-CG 3.31Å
1315F88.5Confident91.5Very high97 Ų9751 Ų5143%0.42527%0.268SS..THydrogen-bonded Turntrans-96.1-5.2178-69.7-68.4000112.6A425 W426 D1313 A1317A425-F1315 VanDerWaalsContact O-CZ 3.31Å; A425-F1315 WeakPolarHBondContact O-CZ 3.31Å; W426-F1315 AromaticContact CD1-CE2 3.62Å; D1313-F1315 PolarHBondContact O-N 3.46Å; D1313-F1315 PolarHBondContact OD1-N 3.23Å; F1315-A1317 HydrophobicContact CB-CB 4.39Å; F1315-A1317 PolarHBondContact O-N 2.95Å
1316E87.8Confident91.9Very high162 Ų16250 Ų5076%0.75726%0.261SS*.  trans54.635.7-172.5-58.4178.1175.200111.6D1313 Y1318D1313-E1316 PolarHBondContact O-N 2.99Å; D1313-E1316 PolarHBondContact OD1-N 3.33Å; D1313-E1316 VanDerWaalsContact OD1-N 3.13Å; D1313-E1316 VanDerWaalsContact OD2-CA 3.23Å; D1313-E1316 WeakPolarHBondContact OD2-CA 3.36Å; E1316-Y1318 VanDerWaalsContact C-N 3.32Å
1317A87.3Confident92.2Very high73 Ų7348.9 Ų48.960%0.60325%0.251SS*.  trans-76.3-20.5-177.300000113D1313 F1315D1313-A1317 PolarHBondContact OD1-N 2.97Å; D1313-A1317 PolarHBondContact OD2-N 3.02Å; F1315-A1317 HydrophobicContact CB-CB 4.39Å; F1315-A1317 PolarHBondContact O-N 2.95Å
1318Y92.7Very high92.2Very high74 Ų7452.1 Ų52.129%0.2926%0.263SS..SBendtrans-114.4153.4-176.3-56.9-81.3000111.6R1309 D1313 E1316 L1369R1309-Y1318 PolarHBondContact NH2-O 2.91Å; D1313-Y1318 HydrophobicContact CB-CD2 3.96Å; D1313-Y1318 PolarHBondContact OD2-N 2.67Å; D1313-Y1318 VanDerWaalsContact OD2-N 3.12Å; E1316-Y1318 VanDerWaalsContact C-N 3.32Å; Y1318-L1369 WeakPolarHBondContact CE1-O 3.38Å; Y1318-L1369 HydrophobicContact CE2-CB 4.41Å; Y1318-L1369 HydrophobicContact CG-CD2 4.29Å; Y1318-L1369 PolarHBondContact OH-O 2.88Å
1319S94.6Very high92Very high54 Ų5454 Ų5438%0.37827%0.273SS..  trans-76157.8173.372.30000111.6E1321 Q1322 V1323S1319-E1321 PolarHBondContact O-N 3Å; S1319-Q1322 WeakPolarHBondContact O-CB 3.06Å; S1319-Q1322 PolarHBondContact O-N 3.08Å; S1319-Q1322 WeakPolarHBondContact OG-CG 3.47Å; S1319-Q1322 PolarHBondContact OG-N 2.84Å; S1319-V1323 WeakPolarHBondContact O-CG2 3.47Å; S1319-V1323 PolarHBondContact O-N 3.17Å
1320D91.9Very high91.8Very high83 Ų8353.3 Ų53.344%0.44427%0.271SS..Hα-helixtrans-59.9-31.2177-79.41.3000112.4R1309 V1323 W1324 L1343R1309-D1320 WeakPolarHBondContact CD-OD1 3.43Å; R1309-D1320 IonicContact CZ-OD1 2.82Å; R1309-D1320 IonicContact NE-OD1 3.23Å; R1309-D1320 PolarHBondContact NE-OD1 2.97Å; D1320-V1323 PolarHBondContact O-N 3.31Å; D1320-W1324 PolarHBondContact O-N 3.12Å; D1320-L1343 HydrophobicContact CB-CD1 4.29Å
1321E93.3Very high91.6Very high150 Ų15056.9 Ų56.970%0.70129%0.287SS*.Hα-helixtrans-62.3-43.9173.3-65179.9174.400111.7S1319 V1323 W1324 N1325S1319-E1321 PolarHBondContact O-N 3Å; E1321-V1323 VanDerWaalsContact C-N 3.33Å; E1321-V1323 PolarHBondContact O-N 3.45Å; E1321-W1324 PolarHBondContact O-N 3.36Å; E1321-N1325 WeakPolarHBondContact O-CB 3.3Å; E1321-N1325 PolarHBondContact O-N 3.46Å; E1321-N1325 PolarHBondContact O-ND2 3.18Å
1322Q92.8Very high91.5Very high97 Ų9757 Ų5745%0.45329%0.288SS..Hα-helixtrans-64.8-38.6176.2-69.3173.4-44.300111.6S1319 N1325 A1326S1319-Q1322 WeakPolarHBondContact O-CB 3.06Å; S1319-Q1322 PolarHBondContact O-N 3.08Å; S1319-Q1322 WeakPolarHBondContact OG-CG 3.47Å; S1319-Q1322 PolarHBondContact OG-N 2.84Å; Q1322-N1325 PolarHBondContact O-N 2.82Å; Q1322-A1326 PolarHBondContact O-N 3.47Å
1323V93.6Very high91.3Very high0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-64.7-44.4175.8177.60000111.5L1312 S1319 D1320 E1321 A1326 L1327 L1343 L1369L1312-V1323 HydrophobicContact CB-CG1 4.49Å; L1312-V1323 HydrophobicContact CD1-CG1 3.7Å; S1319-V1323 WeakPolarHBondContact O-CG2 3.47Å; S1319-V1323 PolarHBondContact O-N 3.17Å; D1320-V1323 PolarHBondContact O-N 3.31Å; E1321-V1323 VanDerWaalsContact C-N 3.33Å; E1321-V1323 PolarHBondContact O-N 3.45Å; V1323-A1326 PolarHBondContact O-N 3.42Å; V1323-L1327 HydrophobicContact CG1-CD1 4.23Å; V1323-L1327 WeakPolarHBondContact O-CG 3.43Å; V1323-L1327 PolarHBondContact O-N 3.26Å; V1323-L1343 HydrophobicContact CG1-CD1 4.34Å; V1323-L1343 HydrophobicContact CG1-CD2 3.92Å; V1323-L1369 HydrophobicContact CG2-CD1 4.38Å; V1323-L1369 HydrophobicContact CG2-CD2 4.37Å
1324W96Very high91Very high52 Ų5267.6 Ų67.620%0.19734%0.335CS..Hα-helixtrans-65.5-39.2176.3-81.6116.2000112.9D1320 E1321 A1326 L1327 E1328 K1333 I1336 K1342 L1343D1320-W1324 PolarHBondContact O-N 3.12Å; E1321-W1324 PolarHBondContact O-N 3.36Å; W1324-A1326 VanDerWaalsContact C-N 3.34Å; W1324-L1327 HydrophobicContact CD2-CD1 4.36Å; W1324-L1327 HydrophobicContact CE3-CB 4.4Å; W1324-L1327 HydrophobicContact CE3-CD1 3.79Å; W1324-L1327 HydrophobicContact CZ3-CD1 4.02Å; W1324-L1327 PolarHBondContact O-N 3.03Å; W1324-E1328 PolarHBondContact O-N 2.98Å; W1324-K1333 HydrophobicContact CE3-CB 4.43Å; W1324-K1333 HydrophobicContact CE3-CD 4.45Å; W1324-K1333 HydrophobicContact CE3-CG 3.85Å; W1324-K1333 HydrophobicContact CZ3-CG 4.04Å; W1324-I1336 HydrophobicContact CH2-CB 4.31Å; W1324-I1336 HydrophobicContact CH2-CG2 3.83Å; W1324-I1336 HydrophobicContact CZ3-CB 4.21Å; W1324-I1336 HydrophobicContact CZ3-CG2 4.12Å; W1324-K1342 HydrophobicContact CH2-CB 4.07Å; W1324-K1342 HydrophobicContact CH2-CD 4.48Å; W1324-K1342 HydrophobicContact CZ2-CB 3.86Å; W1324-K1342 HydrophobicContact CZ2-CD 4.14Å; W1324-L1343 HydrophobicContact CD2-CD2 4.5Å; W1324-L1343 HydrophobicContact CD2-CG 4.5Å; W1324-L1343 HydrophobicContact CH2-CD2 4.49Å; W1324-L1343 HydrophobicContact CH2-CG 4.42Å; W1324-L1343 HydrophobicContact CZ2-CD1 4.27Å; W1324-L1343 HydrophobicContact CZ2-CD2 4.13Å; W1324-L1343 HydrophobicContact CZ2-CG 3.66Å; W1324-L1343 VanDerWaalsContact NE1-CD1 3.34Å
1325N93.4Very high90.9Very high87 Ų8770.4 Ų70.447%0.46535%0.345SS..Hα-helixtrans-62.9-41.7174.2-70.7-15000111E1321 Q1322 L1327 E1328 N1329E1321-N1325 WeakPolarHBondContact O-CB 3.3Å; E1321-N1325 PolarHBondContact O-N 3.46Å; E1321-N1325 PolarHBondContact O-ND2 3.18Å; Q1322-N1325 PolarHBondContact O-N 2.82Å; N1325-L1327 PolarHBondContact O-N 3.35Å; N1325-E1328 WeakPolarHBondContact O-CB 3.29Å; N1325-E1328 PolarHBondContact O-N 3.4Å; N1325-N1329 PolarHBondContact O-N 2.85Å; N1325-N1329 VanDerWaalsContact O-N 3.14Å; N1325-N1329 PolarHBondContact O-ND2 2.92Å
1326A91.9Very high91Very high4 Ų465.8 Ų65.83%0.03333%0.325CS..Hα-helixtrans-64.2-40.1174.800000112.5Q1322 V1323 W1324 E1328 N1329 A1330 T1365 I1368 L1369Q1322-A1326 PolarHBondContact O-N 3.47Å; V1323-A1326 PolarHBondContact O-N 3.42Å; W1324-A1326 VanDerWaalsContact C-N 3.34Å; A1326-E1328 VanDerWaalsContact C-N 3.31Å; A1326-E1328 PolarHBondContact O-N 3.07Å; A1326-N1329 PolarHBondContact O-N 3.12Å; A1326-A1330 WeakPolarHBondContact O-CB 3.39Å; A1326-A1330 PolarHBondContact O-N 2.98Å; A1326-T1365 HydrophobicContact CB-CG2 3.84Å; A1326-I1368 HydrophobicContact CB-CB 4.37Å; A1326-I1368 HydrophobicContact CB-CG2 3.95Å; A1326-L1369 HydrophobicContact CB-CD1 4.4Å; A1326-L1369 HydrophobicContact CB-CD2 3.63Å; A1326-L1369 HydrophobicContact CB-CG 3.58Å
1327L93Very high91.1Very high0 Ų060.7 Ų60.70%031%0.307CS..Hα-helixtrans-64.4-34.4175.1-78.5168.9000112.7L1312 V1323 W1324 N1325 H1331 L1332 K1333 I1336 L1343 T1365L1312-L1327 HydrophobicContact CD1-CD1 4.08Å; L1312-L1327 HydrophobicContact CD1-CD2 3.94Å; L1312-L1327 HydrophobicContact CD1-CG 4.05Å; V1323-L1327 HydrophobicContact CG1-CD1 4.23Å; V1323-L1327 WeakPolarHBondContact O-CG 3.43Å; V1323-L1327 PolarHBondContact O-N 3.26Å; W1324-L1327 HydrophobicContact CD2-CD1 4.36Å; W1324-L1327 HydrophobicContact CE3-CB 4.4Å; W1324-L1327 HydrophobicContact CE3-CD1 3.79Å; W1324-L1327 HydrophobicContact CZ3-CD1 4.02Å; W1324-L1327 PolarHBondContact O-N 3.03Å; N1325-L1327 PolarHBondContact O-N 3.35Å; L1327-H1331 PolarHBondContact O-N 3.4Å; L1327-L1332 HydrophobicContact CD2-CB 3.99Å; L1327-L1332 HydrophobicContact CD2-CD2 3.97Å; L1327-L1332 HydrophobicContact CD2-CG 4.4Å; L1327-L1332 PolarHBondContact O-N 3.48Å; L1327-K1333 HydrophobicContact CB-CB 4.21Å; L1327-K1333 PolarHBondContact O-N 3.05Å; L1327-I1336 HydrophobicContact CD1-CB 4.48Å; L1327-I1336 HydrophobicContact CD1-CG1 4.48Å; L1327-I1336 HydrophobicContact CD1-CG2 4.3Å; L1327-I1336 HydrophobicContact CD2-CG1 4.07Å; L1327-L1343 HydrophobicContact CD1-CD2 3.57Å; L1327-T1365 HydrophobicContact CD2-CG2 3.86Å; L1327-T1365 HydrophobicContact CG-CG2 3.96Å
1328E92.6Very high91.1Very high90 Ų9061.4 Ų61.442%0.42131%0.308SS..Hα-helixtrans-63.5-46.1174.7-169.8154.8-142.600111W1324 N1325 A1326 A1330 H1331 K1333W1324-E1328 PolarHBondContact O-N 2.98Å; N1325-E1328 WeakPolarHBondContact O-CB 3.29Å; N1325-E1328 PolarHBondContact O-N 3.4Å; A1326-E1328 VanDerWaalsContact C-N 3.31Å; A1326-E1328 PolarHBondContact O-N 3.07Å; E1328-A1330 VanDerWaalsContact C-N 3.29Å; E1328-A1330 PolarHBondContact O-N 3.26Å; E1328-H1331 PolarHBondContact O-N 3.16Å; E1328-K1333 HydrophobicContact CB-CB 4.21Å; E1328-K1333 HydrophobicContact CB-CD 3.63Å; E1328-K1333 HydrophobicContact CG-CD 3.87Å; E1328-K1333 IonicContact OE1-NZ 3.82Å; E1328-K1333 PolarHBondContact OE1-NZ 3.13Å; E1328-K1333 IonicContact OE2-NZ 2.65Å; E1328-K1333 PolarHBondContact OE2-NZ 3.32Å
1329N89.1Confident90.9Very high40 Ų4058.8 Ų58.821%0.21430%0.299CS..Hα-helixtrans-70-26.2-179.7-64.3-32.1000113.4N1325 A1326 H1331 I1368 T1395 Y1399N1325-N1329 PolarHBondContact O-N 2.85Å; N1325-N1329 VanDerWaalsContact O-N 3.14Å; N1325-N1329 PolarHBondContact O-ND2 2.92Å; A1326-N1329 PolarHBondContact O-N 3.12Å; N1329-H1331 VanDerWaalsContact C-N 3.29Å; N1329-I1368 HydrophobicContact CB-CD1 3.94Å; N1329-I1368 HydrophobicContact CB-CG2 4.4Å; N1329-T1395 VanDerWaalsContact O-CG2 3.22Å; N1329-T1395 WeakPolarHBondContact O-CG2 3.33Å; N1329-T1395 PolarHBondContact O-OG1 2.89Å; N1329-Y1399 HydrophobicContact CB-CD2 4.31Å; N1329-Y1399 HydrophobicContact CB-CE1 4.43Å; N1329-Y1399 HydrophobicContact CB-CE2 3.63Å; N1329-Y1399 VanDerWaalsContact ND2-CZ 3.3Å; N1329-Y1399 PolarHBondContact ND2-OH 3.36Å; N1329-Y1399 PolarHBondContact OD1-OH 2.63Å
1330A88.9Confident90.4Very high0 Ų060.2 Ų60.20%031%0.306CS..THydrogen-bonded Turntrans-88.28.3170.900000113.2A1326 E1328 L1332 L1364 T1365 I1368A1326-A1330 WeakPolarHBondContact O-CB 3.39Å; A1326-A1330 PolarHBondContact O-N 2.98Å; E1328-A1330 VanDerWaalsContact C-N 3.29Å; E1328-A1330 PolarHBondContact O-N 3.26Å; A1330-L1332 PolarHBondContact O-N 3.46Å; A1330-L1332 VanDerWaalsContact O-N 3.11Å; A1330-L1364 HydrophobicContact CB-CD2 4.43Å; A1330-L1364 HydrophobicContact CB-CG 4.43Å; A1330-T1365 WeakPolarHBondContact CB-OG1 3.4Å; A1330-I1368 HydrophobicContact CB-CD1 4.05Å
1331H87.6Confident90.2Very high105 Ų10562.5 Ų62.549%0.48632%0.319SS..THydrogen-bonded Turntrans57.424.8179.7-60-78.6000114.9L1327 E1328 N1329 L1391L1327-H1331 PolarHBondContact O-N 3.4Å; E1328-H1331 PolarHBondContact O-N 3.16Å; N1329-H1331 VanDerWaalsContact C-N 3.29Å; H1331-L1391 HydrophobicContact CB-CD2 4.18Å; H1331-L1391 VanDerWaalsContact CD2-CD2 3.4Å; H1331-L1391 WeakPolarHBondContact CD2-CD2 3.32Å
1332L89.9Confident90.1Very high4 Ų460.8 Ų60.82%0.02131%0.309CS..  trans-109.5-7.9-178.3-155.472.1000112.8L1327 A1330 E1334 Y1335 I1336 Q1358 L1361 M1362L1327-L1332 HydrophobicContact CD2-CB 3.99Å; L1327-L1332 HydrophobicContact CD2-CD2 3.97Å; L1327-L1332 HydrophobicContact CD2-CG 4.4Å; L1327-L1332 PolarHBondContact O-N 3.48Å; A1330-L1332 PolarHBondContact O-N 3.46Å; A1330-L1332 VanDerWaalsContact O-N 3.11Å; L1332-E1334 PolarHBondContact O-N 3.46Å; L1332-Y1335 HydrophobicContact CD1-CD1 4.19Å; L1332-Y1335 PolarHBondContact O-N 3.05Å; L1332-I1336 HydrophobicContact CD2-CD1 4.11Å; L1332-I1336 HydrophobicContact CD2-CG1 3.99Å; L1332-I1336 HydrophobicContact CG-CD1 4.31Å; L1332-I1336 HydrophobicContact CG-CG1 3.93Å; L1332-I1336 WeakPolarHBondContact O-CG1 3.42Å; L1332-I1336 PolarHBondContact O-N 2.85Å; L1332-Q1358 HydrophobicContact CD1-CG 4.4Å; L1332-L1361 HydrophobicContact CD1-CB 4.13Å; L1332-L1361 HydrophobicContact CD1-CD1 4.04Å; L1332-M1362 HydrophobicContact CD2-CG 3.42Å; L1332-M1362 VanDerWaalsContact CD2-CG 3.42Å
1333K90.3Very high90.1Very high68 Ų6856.5 Ų56.530%0.29629%0.289SS..Hα-helixtrans-55.6-48.5-178.7173.5170.1174.8-169.30113.2W1324 L1327 E1328 Y1335 I1336 S1337W1324-K1333 HydrophobicContact CE3-CB 4.43Å; W1324-K1333 HydrophobicContact CE3-CD 4.45Å; W1324-K1333 HydrophobicContact CE3-CG 3.85Å; W1324-K1333 HydrophobicContact CZ3-CG 4.04Å; L1327-K1333 HydrophobicContact CB-CB 4.21Å; L1327-K1333 PolarHBondContact O-N 3.05Å; E1328-K1333 HydrophobicContact CB-CB 4.21Å; E1328-K1333 HydrophobicContact CB-CD 3.63Å; E1328-K1333 HydrophobicContact CG-CD 3.87Å; E1328-K1333 IonicContact OE1-NZ 3.82Å; E1328-K1333 PolarHBondContact OE1-NZ 3.13Å; E1328-K1333 IonicContact OE2-NZ 2.65Å; E1328-K1333 PolarHBondContact OE2-NZ 3.32Å; K1333-Y1335 PolarHBondContact O-N 3.02Å; K1333-I1336 PolarHBondContact O-N 2.88Å; K1333-S1337 WeakPolarHBondContact O-CB 3.17Å; K1333-S1337 PolarHBondContact O-N 3.3Å; K1333-S1337 PolarHBondContact O-OG 3.22Å
1334E86.8Confident90Very high166 Ų16661.6 Ų61.678%0.77631%0.313SS*.Hα-helixtrans-60.7-48.3-179.2-66.5-175.4177.400111.1L1332 S1337 S1338L1332-E1334 PolarHBondContact O-N 3.46Å; E1334-S1337 PolarHBondContact O-N 3.02Å; E1334-S1337 PolarHBondContact O-OG 3.33Å; E1334-S1338 PolarHBondContact O-N 3.38Å
1335Y87.5Confident89.8Confident73 Ų7361.4 Ų61.429%0.28631%0.313SS..Hα-helixtrans-60.1-53.3177.3-177.9-111.6000112L1332 K1333 S1337 S1338 L1339 F1354 Q1358L1332-Y1335 HydrophobicContact CD1-CD1 4.19Å; L1332-Y1335 PolarHBondContact O-N 3.05Å; K1333-Y1335 PolarHBondContact O-N 3.02Å; Y1335-S1337 PolarHBondContact O-N 3.24Å; Y1335-S1338 WeakPolarHBondContact O-CB 3.16Å; Y1335-S1338 PolarHBondContact O-N 2.88Å; Y1335-S1338 PolarHBondContact O-OG 3.46Å; Y1335-L1339 HydrophobicContact CD1-CD1 4.34Å; Y1335-L1339 HydrophobicContact CE1-CD1 4Å; Y1335-L1339 HydrophobicContact CE1-CD2 4.47Å; Y1335-L1339 HydrophobicContact CE1-CG 4.47Å; Y1335-L1339 HydrophobicContact CE2-CD2 4.47Å; Y1335-L1339 PolarHBondContact O-N 3.48Å; Y1335-F1354 AromaticContact CE1-CD1 3.83Å; Y1335-F1354 HydrophobicContact CE1-CD1 3.83Å; Y1335-F1354 AromaticContact CE1-CE1 3.71Å; Y1335-F1354 HydrophobicContact CE1-CE1 3.71Å; Y1335-Q1358 HydrophobicContact CE1-CG 4.45Å; Y1335-Q1358 PolarHBondContact OH-OE1 3.46Å
1336I89.5Confident89.6Confident0 Ų063.9 Ų63.90%032%0.321CS..Hα-helixtrans-62.8-32.5179.3-60.7-56.5000111.7V1308 W1324 L1327 L1332 K1333 S1338 L1339 K1342 L1343 F1354V1308-I1336 HydrophobicContact CG1-CD1 4.25Å; V1308-I1336 HydrophobicContact CG1-CG2 4.22Å; V1308-I1336 HydrophobicContact CG2-CD1 4.23Å; W1324-I1336 HydrophobicContact CH2-CB 4.31Å; W1324-I1336 HydrophobicContact CH2-CG2 3.83Å; W1324-I1336 HydrophobicContact CZ3-CB 4.21Å; W1324-I1336 HydrophobicContact CZ3-CG2 4.12Å; L1327-I1336 HydrophobicContact CD1-CB 4.48Å; L1327-I1336 HydrophobicContact CD1-CG1 4.48Å; L1327-I1336 HydrophobicContact CD1-CG2 4.3Å; L1327-I1336 HydrophobicContact CD2-CG1 4.07Å; L1332-I1336 HydrophobicContact CD2-CD1 4.11Å; L1332-I1336 HydrophobicContact CD2-CG1 3.99Å; L1332-I1336 HydrophobicContact CG-CD1 4.31Å; L1332-I1336 HydrophobicContact CG-CG1 3.93Å; L1332-I1336 WeakPolarHBondContact O-CG1 3.42Å; L1332-I1336 PolarHBondContact O-N 2.85Å; K1333-I1336 PolarHBondContact O-N 2.88Å; I1336-S1338 VanDerWaalsContact C-N 3.28Å; I1336-S1338 PolarHBondContact O-N 3.31Å; I1336-L1339 HydrophobicContact CD1-CD1 3.73Å; I1336-L1339 PolarHBondContact O-N 3.43Å; I1336-K1342 WeakPolarHBondContact O-CA 3.47Å; I1336-L1343 HydrophobicContact CG2-CD2 4.27Å; I1336-F1354 HydrophobicContact CD1-CE1 4.08Å
1337S89.7Confident89.4Confident55 Ų5563.8 Ų63.839%0.38532%0.32SS..Hα-helixtrans-68.7-27.5176.277.70000113.4K1333 E1334 Y1335K1333-S1337 WeakPolarHBondContact O-CB 3.17Å; K1333-S1337 PolarHBondContact O-N 3.3Å; K1333-S1337 PolarHBondContact O-OG 3.22Å; E1334-S1337 PolarHBondContact O-N 3.02Å; E1334-S1337 PolarHBondContact O-OG 3.33Å; Y1335-S1337 PolarHBondContact O-N 3.24Å
1338S89Confident88.9Confident88 Ų8869.1 Ų69.162%0.61534%0.344SS*.Hα-helixtrans-77.4-22.1175.9800000113.1E1334 Y1335 I1336E1334-S1338 PolarHBondContact O-N 3.38Å; Y1335-S1338 WeakPolarHBondContact O-CB 3.16Å; Y1335-S1338 PolarHBondContact O-N 2.88Å; Y1335-S1338 PolarHBondContact O-OG 3.46Å; I1336-S1338 VanDerWaalsContact C-N 3.28Å; I1336-S1338 PolarHBondContact O-N 3.31Å
1339L88.8Confident88Confident19 Ų1968.4 Ų68.410%0.09934%0.34CS..SBendtrans-71.5146.1180-65.2175.2000111.7Y1335 I1336 N1341 K1342 Y1345 F1354Y1335-L1339 HydrophobicContact CD1-CD1 4.34Å; Y1335-L1339 HydrophobicContact CE1-CD1 4Å; Y1335-L1339 HydrophobicContact CE1-CD2 4.47Å; Y1335-L1339 HydrophobicContact CE1-CG 4.47Å; Y1335-L1339 HydrophobicContact CE2-CD2 4.47Å; Y1335-L1339 PolarHBondContact O-N 3.48Å; I1336-L1339 HydrophobicContact CD1-CD1 3.73Å; I1336-L1339 PolarHBondContact O-N 3.43Å; L1339-N1341 PolarHBondContact O-N 2.68Å; L1339-K1342 PolarHBondContact O-N 3.35Å; L1339-K1342 VanDerWaalsContact O-N 3.08Å; L1339-Y1345 HydrophobicContact CB-CD1 4.49Å; L1339-Y1345 HydrophobicContact CB-CD2 4Å; L1339-Y1345 HydrophobicContact CB-CG 3.96Å; L1339-Y1345 HydrophobicContact CD1-CD1 3.67Å; L1339-Y1345 HydrophobicContact CD1-CE1 4.01Å; L1339-Y1345 HydrophobicContact CD1-CG 3.97Å; L1339-Y1345 HydrophobicContact CD2-CE1 4.33Å; L1339-Y1345 HydrophobicContact CD2-CE2 4.36Å; L1339-Y1345 HydrophobicContact CG-CD1 4.48Å; L1339-Y1345 HydrophobicContact CG-CG 4.44Å; L1339-F1354 HydrophobicContact CD1-CE1 4.01Å; L1339-F1354 HydrophobicContact CD1-CZ 4.1Å
1340P83.1Confident87.4Confident83 Ų8368.2 Ų68.254%0.53935%0.348SS..THydrogen-bonded Turntrans-61.8136.5175.623.3-29.2000110.4K1342 Y1345P1340-K1342 PolarHBondContact O-N 3Å; P1340-K1342 VanDerWaalsContact O-N 3.11Å; P1340-Y1345 HydrophobicContact CG-CD2 3.73Å; P1340-Y1345 HydrophobicContact CG-CE2 3.73Å; P1340-Y1345 WeakPolarHBondContact O-CB 3.3Å; P1340-Y1345 WeakPolarHBondContact O-CD2 3.35Å
1341N86.9Confident86.8Confident132 Ų13268.2 Ų68.271%0.70635%0.348SS*.THydrogen-bonded Turntrans61.67.3-174.5-51.5-34.4000115.7L1339 L1343 Q1344L1339-N1341 PolarHBondContact O-N 2.68Å; N1341-L1343 PolarHBondContact O-N 3.12Å; N1341-Q1344 HydrophobicContact CB-CB 4.09Å; N1341-Q1344 PolarHBondContact O-N 2.76Å
1342K92.4Very high86.1Confident113 Ų11371.2 Ų71.249%0.49136%0.362SS..G310 helixtrans51.7-115.3172.8-53.8-179.2178.9-178.40113.2W1324 I1336 L1339 P1340 Q1344 Y1345W1324-K1342 HydrophobicContact CH2-CB 4.07Å; W1324-K1342 HydrophobicContact CH2-CD 4.48Å; W1324-K1342 HydrophobicContact CZ2-CB 3.86Å; W1324-K1342 HydrophobicContact CZ2-CD 4.14Å; I1336-K1342 WeakPolarHBondContact O-CA 3.47Å; L1339-K1342 PolarHBondContact O-N 3.35Å; L1339-K1342 VanDerWaalsContact O-N 3.08Å; P1340-K1342 PolarHBondContact O-N 3Å; P1340-K1342 VanDerWaalsContact O-N 3.11Å; K1342-Q1344 PolarHBondContact O-N 3.48Å; K1342-Q1344 VanDerWaalsContact O-N 3.15Å; K1342-Y1345 WeakPolarHBondContact O-CB 3.32Å; K1342-Y1345 PolarHBondContact O-N 2.91Å
1343L91.3Very high85.6Confident8 Ų872.6 Ų72.64%0.04237%0.37CS..G310 helixtrans-60.5-22.5177.6-69.5-179.1000113.6V1308 R1309 D1320 V1323 W1324 L1327 I1336 N1341 Y1345V1308-L1343 WeakPolarHBondContact CB-O 3.46Å; V1308-L1343 HydrophobicContact CG1-CD2 4.31Å; V1308-L1343 PolarHBondContact N-O 3.01Å; R1309-L1343 HydrophobicContact CB-CB 4.19Å; R1309-L1343 WeakPolarHBondContact CB-O 3.48Å; R1309-L1343 PolarHBondContact N-O 3.43Å; D1320-L1343 HydrophobicContact CB-CD1 4.29Å; V1323-L1343 HydrophobicContact CG1-CD1 4.34Å; V1323-L1343 HydrophobicContact CG1-CD2 3.92Å; W1324-L1343 HydrophobicContact CD2-CD2 4.5Å; W1324-L1343 HydrophobicContact CD2-CG 4.5Å; W1324-L1343 HydrophobicContact CH2-CD2 4.49Å; W1324-L1343 HydrophobicContact CH2-CG 4.42Å; W1324-L1343 HydrophobicContact CZ2-CD1 4.27Å; W1324-L1343 HydrophobicContact CZ2-CD2 4.13Å; W1324-L1343 HydrophobicContact CZ2-CG 3.66Å; W1324-L1343 VanDerWaalsContact NE1-CD1 3.34Å; L1327-L1343 HydrophobicContact CD1-CD2 3.57Å; I1336-L1343 HydrophobicContact CG2-CD2 4.27Å; N1341-L1343 PolarHBondContact O-N 3.12Å; L1343-Y1345 VanDerWaalsContact C-N 3.32Å
1344Q92.4Very high85.3Confident107 Ų10769.8 Ų69.850%0.536%0.357SS..G310 helixtrans-92.18.7176.9-58.3-60.5-19.300112.9S1307 N1341 K1342 E1346S1307-Q1344 PolarHBondContact OG-OE1 3.21Å; N1341-Q1344 HydrophobicContact CB-CB 4.09Å; N1341-Q1344 PolarHBondContact O-N 2.76Å; K1342-Q1344 PolarHBondContact O-N 3.48Å; K1342-Q1344 VanDerWaalsContact O-N 3.15Å; Q1344-E1346 PolarHBondContact O-N 3.01Å
1345Y92.1Very high85Confident48 Ų4864.8 Ų64.819%0.18834%0.341CS..PPolyproline II helixtrans-60.7132171.6-176.3-103.4000110.6S1307 V1308 L1339 P1340 K1342 L1343 N1353 F1354S1307-Y1345 CarbonylContact C-O 3.59Å; S1307-Y1345 WeakPolarHBondContact CA-O 3.4Å; V1308-Y1345 HydrophobicContact CG2-CD1 4.4Å; V1308-Y1345 PolarHBondContact N-O 2.91Å; L1339-Y1345 HydrophobicContact CB-CD1 4.49Å; L1339-Y1345 HydrophobicContact CB-CD2 4Å; L1339-Y1345 HydrophobicContact CB-CG 3.96Å; L1339-Y1345 HydrophobicContact CD1-CD1 3.67Å; L1339-Y1345 HydrophobicContact CD1-CE1 4.01Å; L1339-Y1345 HydrophobicContact CD1-CG 3.97Å; L1339-Y1345 HydrophobicContact CD2-CE1 4.33Å; L1339-Y1345 HydrophobicContact CD2-CE2 4.36Å; L1339-Y1345 HydrophobicContact CG-CD1 4.48Å; L1339-Y1345 HydrophobicContact CG-CG 4.44Å; P1340-Y1345 HydrophobicContact CG-CD2 3.73Å; P1340-Y1345 HydrophobicContact CG-CE2 3.73Å; P1340-Y1345 WeakPolarHBondContact O-CB 3.3Å; P1340-Y1345 WeakPolarHBondContact O-CD2 3.35Å; K1342-Y1345 WeakPolarHBondContact O-CB 3.32Å; K1342-Y1345 PolarHBondContact O-N 2.91Å; L1343-Y1345 VanDerWaalsContact C-N 3.32Å; Y1345-N1353 WeakPolarHBondContact CE1-ND2 3.28Å; Y1345-N1353 PolarHBondContact OH-ND2 2.88Å; Y1345-F1354 HydrophobicContact CD1-CE2 4.22Å; Y1345-F1354 AromaticContact CD1-CZ 3.77Å; Y1345-F1354 HydrophobicContact CD1-CZ 3.77Å; Y1345-F1354 AromaticContact CE1-CE2 3.97Å; Y1345-F1354 HydrophobicContact CE1-CE2 3.97Å; Y1345-F1354 AromaticContact CE1-CZ 3.78Å; Y1345-F1354 HydrophobicContact CE1-CZ 3.78Å
1346E89Confident84.5Confident138 Ų13863.8 Ų63.865%0.64534%0.342SS*.EExtended strand (participates in β ladder)trans-80120.8-178-71.2-168.416200111.4Q1344 N1353Q1344-E1346 PolarHBondContact O-N 3.01Å; E1346-N1353 PolarHBondContact O-ND2 3.5Å
1347V87Confident84.1Confident3 Ų364 Ų642%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-77.1131.7168.5-173.30000108.7L1303 C1305 G1306 V1308 F1354L1303-V1347 HydrophobicContact CB-CG1 3.85Å; L1303-V1347 HydrophobicContact CD1-CG1 3.92Å; C1305-V1347 WeakPolarHBondContact CA-O 3.33Å; G1306-V1347 PolarHBondContact N-O 2.81Å; G1306-V1347 WeakPolarHBondContact O-CB 3.3Å; G1306-V1347 PolarHBondContact O-N 3.19Å; V1308-V1347 HydrophobicContact CG2-CG2 4.01Å; V1347-F1354 HydrophobicContact CB-CE2 4.23Å; V1347-F1354 HydrophobicContact CG1-CD2 4.16Å; V1347-F1354 HydrophobicContact CG1-CE2 4.04Å; V1347-F1354 HydrophobicContact CG2-CE2 3.83Å; V1347-F1354 HydrophobicContact CG2-CZ 4.38Å
1348F83.9Confident83.9Confident111 Ų11163.5 Ų63.549%0.48734%0.336SS..  trans-80.8175.1178-67.8-1000111.4G1350 G1351 N1353F1348-G1350 PolarHBondContact O-N 3.22Å; F1348-G1351 WeakPolarHBondContact O-CA 3.27Å; F1348-G1351 PolarHBondContact O-N 3.14Å; F1348-N1353 HydrophobicContact CB-CB 4.41Å; F1348-N1353 HydrophobicContact CD2-CB 3.83Å; F1348-N1353 HydrophobicContact CE2-CB 4.27Å; F1348-N1353 HydrophobicContact CG-CB 4.1Å; F1348-N1353 PolarHBondContact N-OD1 3.21Å
1349E73.8Confident83.9Confident75 Ų7562 Ų6235%0.3532%0.317SS..G310 helixtrans-59.9129.6-176.3-168.6166.2179.700109.9K409 N412 E413 C1305 G1351 E1352K409-E1349 WeakPolarHBondContact CE-OE2 3.41Å; K409-E1349 IonicContact NZ-OE2 3.64Å; N412-E1349 PolarHBondContact ND2-OE1 2.84Å; E413-E1349 HydrophobicContact CG-CG 4.11Å; C1305-E1349 WeakPolarHBondContact SG-CA 3.48Å; C1305-E1349 PolarHBondContact SG-N 3.37Å; E1349-G1351 PolarHBondContact O-N 2.88Å; E1349-E1352 WeakPolarHBondContact O-CG 3.39Å; E1349-E1352 PolarHBondContact O-N 3.32Å
1350G75.3Confident83.8Confident36 Ų3661.2 Ų61.237%0.37131%0.313SS..G310 helixtrans64.32.9-173.700000115.8F1348 R1359F1348-G1350 PolarHBondContact O-N 3.22Å; G1350-R1359 PolarHBondContact O-NH1 3.38Å
1351G76.5Confident84.2Confident0 Ų057.9 Ų57.90%029%0.29CS..G310 helixtrans7428-17400000114.5F1348 E1349 N1353 F1354F1348-G1351 WeakPolarHBondContact O-CA 3.27Å; F1348-G1351 PolarHBondContact O-N 3.14Å; E1349-G1351 PolarHBondContact O-N 2.88Å; G1351-N1353 PolarHBondContact O-N 3.24Å; G1351-N1353 VanDerWaalsContact O-N 3.08Å; G1351-F1354 PolarHBondContact O-N 3.37Å
1352E72.4Confident84.4Confident168 Ų16851.6 Ų51.679%0.78526%0.257SS*.THydrogen-bonded Turntrans-55.6-24.3-178.2-77.1-177.4173.200115.1E1349 F1354E1349-E1352 WeakPolarHBondContact O-CG 3.39Å; E1349-E1352 PolarHBondContact O-N 3.32Å; E1352-F1354 PolarHBondContact O-N 3.12Å
1353N80.8Confident84.4Confident34 Ų3446.2 Ų46.218%0.18223%0.233CC..THydrogen-bonded Turntrans-79.51.1175.259.2-29.9000114.2Y1345 E1346 F1348 G1351Y1345-N1353 WeakPolarHBondContact CE1-ND2 3.28Å; Y1345-N1353 PolarHBondContact OH-ND2 2.88Å; E1346-N1353 PolarHBondContact O-ND2 3.5Å; F1348-N1353 HydrophobicContact CB-CB 4.41Å; F1348-N1353 HydrophobicContact CD2-CB 3.83Å; F1348-N1353 HydrophobicContact CE2-CB 4.27Å; F1348-N1353 HydrophobicContact CG-CB 4.1Å; F1348-N1353 PolarHBondContact N-OD1 3.21Å; G1351-N1353 PolarHBondContact O-N 3.24Å; G1351-N1353 VanDerWaalsContact O-N 3.08Å
1354F82.5Confident84.4Confident8 Ų845.9 Ų45.94%0.03523%0.232CC..SBendtrans-119.7141.9174.9-67.1-92.3000110.4L1303 V1308 Y1335 I1336 L1339 Y1345 V1347 G1351 E1352 Q1358 R1359 M1362L1303-F1354 HydrophobicContact CD1-CD2 4.32Å; V1308-F1354 HydrophobicContact CG2-CZ 4.08Å; Y1335-F1354 AromaticContact CE1-CD1 3.83Å; Y1335-F1354 HydrophobicContact CE1-CD1 3.83Å; Y1335-F1354 AromaticContact CE1-CE1 3.71Å; Y1335-F1354 HydrophobicContact CE1-CE1 3.71Å; I1336-F1354 HydrophobicContact CD1-CE1 4.08Å; L1339-F1354 HydrophobicContact CD1-CE1 4.01Å; L1339-F1354 HydrophobicContact CD1-CZ 4.1Å; Y1345-F1354 HydrophobicContact CD1-CE2 4.22Å; Y1345-F1354 AromaticContact CD1-CZ 3.77Å; Y1345-F1354 HydrophobicContact CD1-CZ 3.77Å; Y1345-F1354 AromaticContact CE1-CE2 3.97Å; Y1345-F1354 HydrophobicContact CE1-CE2 3.97Å; Y1345-F1354 AromaticContact CE1-CZ 3.78Å; Y1345-F1354 HydrophobicContact CE1-CZ 3.78Å; V1347-F1354 HydrophobicContact CB-CE2 4.23Å; V1347-F1354 HydrophobicContact CG1-CD2 4.16Å; V1347-F1354 HydrophobicContact CG1-CE2 4.04Å; V1347-F1354 HydrophobicContact CG2-CE2 3.83Å; V1347-F1354 HydrophobicContact CG2-CZ 4.38Å; G1351-F1354 PolarHBondContact O-N 3.37Å; E1352-F1354 PolarHBondContact O-N 3.12Å; F1354-Q1358 HydrophobicContact CB-CB 4.19Å; F1354-Q1358 HydrophobicContact CD1-CB 4.26Å; F1354-R1359 HydrophobicContact CB-CG 3.67Å; F1354-M1362 HydrophobicContact CD1-SD 4.43Å; F1354-M1362 HydrophobicContact CE1-SD 4.37Å
1355S81.4Confident84.4Confident62 Ų6240.8 Ų40.843%0.43421%0.208SC..  trans-64.3160.2173.175.80000111.1G1357 Q1358 R1359S1355-G1357 VanDerWaalsContact C-N 3.3Å; S1355-G1357 PolarHBondContact O-N 2.9Å; S1355-Q1358 PolarHBondContact O-N 3.33Å; S1355-Q1358 WeakPolarHBondContact OG-CB 3.31Å; S1355-Q1358 VanDerWaalsContact OG-CG 3.22Å; S1355-Q1358 WeakPolarHBondContact OG-CG 3.27Å; S1355-Q1358 PolarHBondContact OG-N 2.86Å; S1355-Q1358 VanDerWaalsContact OG-N 3.14Å; S1355-R1359 WeakPolarHBondContact O-CG 3.48Å; S1355-R1359 PolarHBondContact O-N 2.87Å
1356V77.3Confident84.4Confident51 Ų5138.6 Ų38.631%0.30920%0.199SC..Hα-helixtrans-55.3-47.3176.6-176.90000110.8Q1358 R1359 Q1360 A1383V1356-Q1358 PolarHBondContact O-N 2.93Å; V1356-R1359 PolarHBondContact O-N 3.06Å; V1356-Q1360 PolarHBondContact O-N 3.48Å; V1356-A1383 HydrophobicContact CG1-CB 3.84Å; V1356-A1383 VanDerWaalsContact CG1-O 3.26Å; V1356-A1383 WeakPolarHBondContact CG1-O 3.42Å
1357G80.5Confident84.5Confident5 Ų532 Ų325%0.05217%0.168CC..Hα-helixtrans-58.9-44.4175.600000113.4S1355 R1359 Q1360 L1361S1355-G1357 VanDerWaalsContact C-N 3.3Å; S1355-G1357 PolarHBondContact O-N 2.9Å; G1357-R1359 VanDerWaalsContact C-N 3.35Å; G1357-R1359 PolarHBondContact O-N 3.44Å; G1357-Q1360 WeakPolarHBondContact O-CB 3.44Å; G1357-Q1360 PolarHBondContact O-N 3.11Å; G1357-Q1360 VanDerWaalsContact O-N 3.12Å; G1357-L1361 WeakPolarHBondContact O-CG 3.43Å; G1357-L1361 PolarHBondContact O-N 3.44Å
1358Q86.4Confident84.8Confident44 Ų4432.7 Ų32.721%0.20617%0.172CC..Hα-helixtrans-61.8-41.5176.5-73.5168.2-3.600112.3L1332 Y1335 F1354 S1355 V1356 Q1360 L1361 M1362L1332-Q1358 HydrophobicContact CD1-CG 4.4Å; Y1335-Q1358 HydrophobicContact CE1-CG 4.45Å; Y1335-Q1358 PolarHBondContact OH-OE1 3.46Å; F1354-Q1358 HydrophobicContact CB-CB 4.19Å; F1354-Q1358 HydrophobicContact CD1-CB 4.26Å; S1355-Q1358 PolarHBondContact O-N 3.33Å; S1355-Q1358 WeakPolarHBondContact OG-CB 3.31Å; S1355-Q1358 VanDerWaalsContact OG-CG 3.22Å; S1355-Q1358 WeakPolarHBondContact OG-CG 3.27Å; S1355-Q1358 PolarHBondContact OG-N 2.86Å; S1355-Q1358 VanDerWaalsContact OG-N 3.14Å; V1356-Q1358 PolarHBondContact O-N 2.93Å; Q1358-Q1360 VanDerWaalsContact C-N 3.26Å; Q1358-Q1360 PolarHBondContact O-N 3.39Å; Q1358-L1361 PolarHBondContact O-N 2.75Å; Q1358-M1362 WeakPolarHBondContact O-CG 3.2Å; Q1358-M1362 PolarHBondContact O-N 3.05Å
1359R88.8Confident85.1Confident57 Ų5728.2 Ų28.222%0.21515%0.153CC..Hα-helixtrans-63.6-35.5175.9-65.8-172.8-78.3168.71.5111.4P1301 L1303 G1350 F1354 S1355 V1356 G1357 M1362 C1363P1301-R1359 HydrophobicContact CB-CB 3.7Å; P1301-R1359 HydrophobicContact CG-CB 3.61Å; L1303-R1359 HydrophobicContact CD1-CB 4.25Å; L1303-R1359 HydrophobicContact CD1-CG 3.66Å; L1303-R1359 HydrophobicContact CG-CB 4.4Å; L1303-R1359 HydrophobicContact CG-CG 4.16Å; G1350-R1359 PolarHBondContact O-NH1 3.38Å; F1354-R1359 HydrophobicContact CB-CG 3.67Å; S1355-R1359 WeakPolarHBondContact O-CG 3.48Å; S1355-R1359 PolarHBondContact O-N 2.87Å; V1356-R1359 PolarHBondContact O-N 3.06Å; G1357-R1359 VanDerWaalsContact C-N 3.35Å; G1357-R1359 PolarHBondContact O-N 3.44Å; R1359-M1362 WeakPolarHBondContact O-CB 3Å; R1359-M1362 PolarHBondContact O-N 3.47Å; R1359-C1363 PolarHBondContact O-N 3.08Å; R1359-C1363 VanDerWaalsContact O-N 3.14Å; R1359-C1363 PolarHBondContact O-SG 2.65Å; R1359-C1363 VanDerWaalsContact O-SG 3.41Å
1360Q86.8Confident85.8Confident2 Ų226.8 Ų26.81%0.00914%0.144CC..Hα-helixtrans-66.8-44174.7-155.766.97.400112.2P1298 P1301 V1356 G1357 Q1358 M1362 C1363 L1364 A1380 V1384 I1392P1298-Q1360 PolarHBondContact O-NE2 3.27Å; P1301-Q1360 VanDerWaalsContact CD-OE1 3.27Å; V1356-Q1360 PolarHBondContact O-N 3.48Å; G1357-Q1360 WeakPolarHBondContact O-CB 3.44Å; G1357-Q1360 PolarHBondContact O-N 3.11Å; G1357-Q1360 VanDerWaalsContact O-N 3.12Å; Q1358-Q1360 VanDerWaalsContact C-N 3.26Å; Q1358-Q1360 PolarHBondContact O-N 3.39Å; Q1360-M1362 VanDerWaalsContact C-N 3.26Å; Q1360-M1362 PolarHBondContact O-N 2.91Å; Q1360-C1363 CarbonylContact O-C 3.58Å; Q1360-C1363 WeakPolarHBondContact O-CA 3.23Å; Q1360-C1363 WeakPolarHBondContact O-CB 3.29Å; Q1360-C1363 PolarHBondContact O-N 3.39Å; Q1360-L1364 PolarHBondContact O-N 3.29Å; Q1360-A1380 WeakPolarHBondContact CG-O 3.42Å; Q1360-A1380 VanDerWaalsContact NE2-CA 3.35Å; Q1360-A1380 PolarHBondContact NE2-O 3.42Å; Q1360-V1384 HydrophobicContact CB-CG2 4.03Å; Q1360-V1384 HydrophobicContact CG-CG2 4.09Å; Q1360-I1392 HydrophobicContact CB-CD1 4.11Å; Q1360-I1392 HydrophobicContact CG-CD1 3.68Å
1361L90.6Very high86.3Confident13 Ų1331.5 Ų31.57%0.06815%0.154CC..Hα-helixtrans-62.1-32.3174.2-67.2176.3000112.4L1332 G1357 Q1358 L1364 T1365 T1388 I1392L1332-L1361 HydrophobicContact CD1-CB 4.13Å; L1332-L1361 HydrophobicContact CD1-CD1 4.04Å; G1357-L1361 WeakPolarHBondContact O-CG 3.43Å; G1357-L1361 PolarHBondContact O-N 3.44Å; Q1358-L1361 PolarHBondContact O-N 2.75Å; L1361-L1364 HydrophobicContact CD2-CD2 4.21Å; L1361-L1364 WeakPolarHBondContact O-CB 3.39Å; L1361-L1364 PolarHBondContact O-N 3.1Å; L1361-T1365 PolarHBondContact O-N 3.14Å; L1361-T1365 PolarHBondContact O-OG1 3.49Å; L1361-T1388 HydrophobicContact CD1-CG2 4.02Å; L1361-T1388 HydrophobicContact CD2-CG2 4Å; L1361-T1388 HydrophobicContact CG-CG2 3.86Å; L1361-I1392 HydrophobicContact CD2-CD1 4.29Å; L1361-I1392 HydrophobicContact CD2-CG1 3.69Å
1362M92Very high86.9Confident1 Ų132 Ų321%0.00516%0.158CC..Hα-helixtrans-65.6-38.6170.2-67.9-17285.600112.1L1303 V1308 N1311 L1312 L1332 F1354 Q1358 R1359 Q1360 T1365 R1366L1303-M1362 HydrophobicContact CD1-CE 4.5Å; L1303-M1362 HydrophobicContact CD1-SD 3.43Å; L1303-M1362 WeakPolarHBondContact CD1-SD 3.28Å; L1303-M1362 HydrophobicContact CD2-CB 4.08Å; L1303-M1362 HydrophobicContact CD2-SD 4.02Å; L1303-M1362 HydrophobicContact CG-SD 4.4Å; V1308-M1362 HydrophobicContact CB-CE 4.2Å; V1308-M1362 HydrophobicContact CG1-CE 3.68Å; V1308-M1362 HydrophobicContact CG2-CE 4.05Å; N1311-M1362 HydrophobicContact CB-CE 4.46Å; L1312-M1362 HydrophobicContact CD2-CB 4.47Å; L1312-M1362 HydrophobicContact CD2-CE 4.36Å; L1312-M1362 HydrophobicContact CG-CE 4.45Å; L1332-M1362 HydrophobicContact CD2-CG 3.42Å; L1332-M1362 VanDerWaalsContact CD2-CG 3.42Å; F1354-M1362 HydrophobicContact CD1-SD 4.43Å; F1354-M1362 HydrophobicContact CE1-SD 4.37Å; Q1358-M1362 WeakPolarHBondContact O-CG 3.2Å; Q1358-M1362 PolarHBondContact O-N 3.05Å; R1359-M1362 WeakPolarHBondContact O-CB 3Å; R1359-M1362 PolarHBondContact O-N 3.47Å; Q1360-M1362 VanDerWaalsContact C-N 3.26Å; Q1360-M1362 PolarHBondContact O-N 2.91Å; M1362-T1365 WeakPolarHBondContact O-CB 3.14Å; M1362-T1365 PolarHBondContact O-N 3.04Å; M1362-R1366 WeakPolarHBondContact O-CG 3.16Å; M1362-R1366 PolarHBondContact O-N 3.36Å
1363C91.1Very high87.9Confident0 Ų028.5 Ų28.50%014%0.137CC..Hα-helixtrans-66.3-39.1173.7-64.40000111.9I1297 R1359 Q1360 T1365 R1366 A1367I1297-C1363 HydrophobicContact CG2-CB 4.21Å; R1359-C1363 PolarHBondContact O-N 3.08Å; R1359-C1363 VanDerWaalsContact O-N 3.14Å; R1359-C1363 PolarHBondContact O-SG 2.65Å; R1359-C1363 VanDerWaalsContact O-SG 3.41Å; Q1360-C1363 CarbonylContact O-C 3.58Å; Q1360-C1363 WeakPolarHBondContact O-CA 3.23Å; Q1360-C1363 WeakPolarHBondContact O-CB 3.29Å; Q1360-C1363 PolarHBondContact O-N 3.39Å; C1363-T1365 VanDerWaalsContact C-N 3.31Å; C1363-T1365 PolarHBondContact O-N 3.42Å; C1363-R1366 WeakPolarHBondContact O-CB 3.31Å; C1363-R1366 PolarHBondContact O-N 2.95Å; C1363-R1366 PolarHBondContact SG-NH1 2.68Å; C1363-A1367 PolarHBondContact O-N 2.96Å
1364L91.2Very high88.5Confident1 Ų127 Ų271%0.00513%0.129CC..Hα-helixtrans-60.7-40.7171.118062.4000111.6I1297 A1330 Q1360 L1361 R1366 A1367 I1368 I1392 T1395 I1396I1297-L1364 HydrophobicContact CD1-CB 4.27Å; I1297-L1364 HydrophobicContact CD1-CD1 3.76Å; A1330-L1364 HydrophobicContact CB-CD2 4.43Å; A1330-L1364 HydrophobicContact CB-CG 4.43Å; Q1360-L1364 PolarHBondContact O-N 3.29Å; L1361-L1364 HydrophobicContact CD2-CD2 4.21Å; L1361-L1364 WeakPolarHBondContact O-CB 3.39Å; L1361-L1364 PolarHBondContact O-N 3.1Å; L1364-R1366 VanDerWaalsContact C-N 3.32Å; L1364-R1366 PolarHBondContact O-N 3.3Å; L1364-A1367 WeakPolarHBondContact O-CA 3.41Å; L1364-A1367 WeakPolarHBondContact O-CB 3.48Å; L1364-A1367 PolarHBondContact O-N 2.81Å; L1364-I1368 HydrophobicContact CD1-CD1 4.49Å; L1364-I1368 HydrophobicContact CG-CD1 4.11Å; L1364-I1368 WeakPolarHBondContact O-CG1 3.38Å; L1364-I1368 PolarHBondContact O-N 2.91Å; L1364-I1392 HydrophobicContact CD2-CB 4.45Å; L1364-I1392 HydrophobicContact CD2-CG1 4.11Å; L1364-T1395 HydrophobicContact CD1-CG2 4.38Å; L1364-T1395 HydrophobicContact CD2-CG2 3.92Å; L1364-T1395 HydrophobicContact CG-CG2 4.37Å; L1364-I1396 HydrophobicContact CD1-CD1 4.46Å; L1364-I1396 HydrophobicContact CD1-CG1 3.94Å
1365T93.2Very high89Confident0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-59.2-42.6174.4-53.40000111.4L1312 A1326 L1327 A1330 L1361 M1362 C1363 A1367 I1368 L1369L1312-T1365 HydrophobicContact CD1-CG2 4.15Å; L1312-T1365 HydrophobicContact CD2-CG2 3.65Å; L1312-T1365 HydrophobicContact CG-CG2 4.47Å; A1326-T1365 HydrophobicContact CB-CG2 3.84Å; L1327-T1365 HydrophobicContact CD2-CG2 3.86Å; L1327-T1365 HydrophobicContact CG-CG2 3.96Å; A1330-T1365 WeakPolarHBondContact CB-OG1 3.4Å; L1361-T1365 PolarHBondContact O-N 3.14Å; L1361-T1365 PolarHBondContact O-OG1 3.49Å; M1362-T1365 WeakPolarHBondContact O-CB 3.14Å; M1362-T1365 PolarHBondContact O-N 3.04Å; C1363-T1365 VanDerWaalsContact C-N 3.31Å; C1363-T1365 PolarHBondContact O-N 3.42Å; T1365-A1367 VanDerWaalsContact C-N 3.29Å; T1365-A1367 PolarHBondContact O-N 3.1Å; T1365-I1368 PolarHBondContact O-N 3.19Å; T1365-L1369 PolarHBondContact O-N 3.04Å
1366R92.8Very high89.6Confident1 Ų123.8 Ų23.80%0.00411%0.107CC..Hα-helixtrans-59.6-40.7173.8-63.7167.5-177.3167-11.5111.5W426 V1302 L1303 N1311 L1312 M1362 C1363 L1364 L1369 R1370W426-R1366 HydrophobicContact CH2-CG 4.5Å; V1302-R1366 PolarHBondContact O-NH1 2.94Å; V1302-R1366 PolarHBondContact O-NH2 2.83Å; L1303-R1366 VanDerWaalsContact CD2-NH2 3.29Å; N1311-R1366 VanDerWaalsContact O-CZ 3.3Å; N1311-R1366 PolarHBondContact O-NE 3.06Å; N1311-R1366 PolarHBondContact O-NH2 3.43Å; N1311-R1366 PolarHBondContact OD1-NH2 2.89Å; L1312-R1366 HydrophobicContact CD2-CG 4.28Å; M1362-R1366 WeakPolarHBondContact O-CG 3.16Å; M1362-R1366 PolarHBondContact O-N 3.36Å; C1363-R1366 WeakPolarHBondContact O-CB 3.31Å; C1363-R1366 PolarHBondContact O-N 2.95Å; C1363-R1366 PolarHBondContact SG-NH1 2.68Å; L1364-R1366 VanDerWaalsContact C-N 3.32Å; L1364-R1366 PolarHBondContact O-N 3.3Å; R1366-L1369 PolarHBondContact O-N 3.09Å; R1366-R1370 WeakPolarHBondContact O-CG 3.32Å; R1366-R1370 PolarHBondContact O-N 2.98Å; R1366-R1370 VanDerWaalsContact O-N 3.16Å
1367A90.9Very high90.3Very high0 Ų021.5 Ų21.50%09%0.094CC..Hα-helixtrans-63.9-43.5177.900000112.4T1295 I1297 C1363 L1364 T1365 L1369 R1370 K1371 L1375 F1400T1295-A1367 HydrophobicContact CG2-CB 3.69Å; I1297-A1367 HydrophobicContact CD1-CB 4.13Å; I1297-A1367 HydrophobicContact CG1-CB 4.17Å; C1363-A1367 PolarHBondContact O-N 2.96Å; L1364-A1367 WeakPolarHBondContact O-CA 3.41Å; L1364-A1367 WeakPolarHBondContact O-CB 3.48Å; L1364-A1367 PolarHBondContact O-N 2.81Å; T1365-A1367 VanDerWaalsContact C-N 3.29Å; T1365-A1367 PolarHBondContact O-N 3.1Å; A1367-L1369 VanDerWaalsContact C-N 3.35Å; A1367-L1369 PolarHBondContact O-N 2.9Å; A1367-R1370 PolarHBondContact O-N 3.44Å; A1367-K1371 PolarHBondContact O-N 3.48Å; A1367-L1375 HydrophobicContact CB-CD1 4.17Å; A1367-F1400 HydrophobicContact CB-CZ 3.9Å
1368I91.9Very high90.7Very high18 Ų1821.5 Ų21.59%0.0929%0.092CC..Hα-helixtrans-64-40.4178.3-65.7165.1000111.1A1326 N1329 A1330 L1364 T1365 T1395 F1400A1326-I1368 HydrophobicContact CB-CB 4.37Å; A1326-I1368 HydrophobicContact CB-CG2 3.95Å; N1329-I1368 HydrophobicContact CB-CD1 3.94Å; N1329-I1368 HydrophobicContact CB-CG2 4.4Å; A1330-I1368 HydrophobicContact CB-CD1 4.05Å; L1364-I1368 HydrophobicContact CD1-CD1 4.49Å; L1364-I1368 HydrophobicContact CG-CD1 4.11Å; L1364-I1368 WeakPolarHBondContact O-CG1 3.38Å; L1364-I1368 PolarHBondContact O-N 2.91Å; T1365-I1368 PolarHBondContact O-N 3.19Å; I1368-T1395 HydrophobicContact CD1-CG2 3.89Å; I1368-F1400 HydrophobicContact CG1-CE2 4.08Å; I1368-F1400 HydrophobicContact CG1-CZ 4.16Å
1369L90.8Very high90.4Very high17 Ų1720.4 Ų20.49%0.0899%0.087CC..Hα-helixtrans-62.9-43.6177.2-78.3170.9000112.9L1312 Y1318 V1323 A1326 T1365 R1366 A1367L1312-L1369 HydrophobicContact CB-CD1 4.14Å; Y1318-L1369 WeakPolarHBondContact CE1-O 3.38Å; Y1318-L1369 HydrophobicContact CE2-CB 4.41Å; Y1318-L1369 HydrophobicContact CG-CD2 4.29Å; Y1318-L1369 PolarHBondContact OH-O 2.88Å; V1323-L1369 HydrophobicContact CG2-CD1 4.38Å; V1323-L1369 HydrophobicContact CG2-CD2 4.37Å; A1326-L1369 HydrophobicContact CB-CD1 4.4Å; A1326-L1369 HydrophobicContact CB-CD2 3.63Å; A1326-L1369 HydrophobicContact CB-CG 3.58Å; T1365-L1369 PolarHBondContact O-N 3.04Å; R1366-L1369 PolarHBondContact O-N 3.09Å; A1367-L1369 VanDerWaalsContact C-N 3.35Å; A1367-L1369 PolarHBondContact O-N 2.9Å
1370R88.9Confident89.8Confident44 Ų4418 Ų1817%0.1668%0.08CC..Hα-helixtrans-75.8-33.2-177.1-68.7-17768-156.2-2.6113.3R1291 S1292 L1294 R1366 A1367 T1372R1291-R1370 PolarHBondContact O-NH2 3.37Å; S1292-R1370 VanDerWaalsContact CA-NH2 3.31Å; S1292-R1370 PolarHBondContact O-NH2 2.9Å; L1294-R1370 PolarHBondContact O-NH1 3.18Å; L1294-R1370 PolarHBondContact O-NH2 3.37Å; R1366-R1370 WeakPolarHBondContact O-CG 3.32Å; R1366-R1370 PolarHBondContact O-N 2.98Å; R1366-R1370 VanDerWaalsContact O-N 3.16Å; A1367-R1370 PolarHBondContact O-N 3.44Å; R1370-T1372 HydrophobicContact CB-CG2 4.37Å; R1370-T1372 PolarHBondContact O-N 3.33Å
1371K84.8Confident89.1Confident135 Ų13518.4 Ų18.459%0.5878%0.083SC*.  trans42.157.4177.5-160.8179.2179.5177.70113.7A1367A1367-K1371 PolarHBondContact O-N 3.48Å
1372T90.3Very high87.9Confident11 Ų1119.7 Ų19.77%0.06710%0.095CC..  trans-83.7153.9177.9550000111.9R1293 T1295 R1370 V1374 C1403R1293-T1372 VanDerWaalsContact C-CG2 3.42Å; R1293-T1372 WeakPolarHBondContact O-CB 3.36Å; R1293-T1372 VanDerWaalsContact O-CG2 3.25Å; R1293-T1372 WeakPolarHBondContact O-CG2 3.44Å; T1295-T1372 WeakPolarHBondContact CB-OG1 3.33Å; T1295-T1372 PolarHBondContact N-OG1 2.92Å; T1295-T1372 VanDerWaalsContact OG1-CG2 3.23Å; T1295-T1372 WeakPolarHBondContact OG1-CG2 3.24Å; T1295-T1372 PolarHBondContact OG1-OG1 3.25Å; R1370-T1372 HydrophobicContact CB-CG2 4.37Å; R1370-T1372 PolarHBondContact O-N 3.33Å; T1372-V1374 VanDerWaalsContact C-N 3.27Å; T1372-V1374 PolarHBondContact O-N 2.95Å; T1372-V1374 PolarHBondContact OG1-O 3.49Å; T1372-C1403 PolarHBondContact O-SG 3.35Å; T1372-C1403 VanDerWaalsContact O-SG 3.41Å
1373R92.5Very high86.5Confident95 Ų9523 Ų2336%0.35812%0.122SC..SBendtrans-70.7-17178.7-67.4-59.9-172.1-174.8-7.3115P1212 E1213 D1402 C1403 T1404P1212-R1373 HydrophobicContact CG-CB 4.2Å; P1212-R1373 WeakPolarHBondContact O-CG 3.13Å; E1213-R1373 PolarHBondContact O-NE 3.44Å; R1373-D1402 IonicContact CZ-OD2 2.95Å; R1373-D1402 VanDerWaalsContact NH1-CG 3.32Å; R1373-D1402 PolarHBondContact NH1-O 2.55Å; R1373-D1402 IonicContact NH1-OD2 2.68Å; R1373-D1402 PolarHBondContact NH1-OD2 2.81Å; R1373-C1403 CarbonylContact O-C 3.43Å; R1373-C1403 WeakPolarHBondContact O-CA 3.49Å; R1373-C1403 WeakPolarHBondContact O-CB 2.89Å; R1373-T1404 PolarHBondContact O-N 2.67Å
1374V93.8Very high85.2Confident2 Ų223.3 Ų23.31%0.01212%0.124CC..EExtended strand (participates in β ladder)trans-120.3124.2175.1-177.20000108.5P1212 V1217 L1294 T1295 T1372 T1404P1212-V1374 HydrophobicContact CG-CG2 4.44Å; V1217-V1374 HydrophobicContact CG2-CG1 4.46Å; V1217-V1374 HydrophobicContact CG2-CG2 4.35Å; L1294-V1374 HydrophobicContact CD2-CB 3.66Å; L1294-V1374 HydrophobicContact CD2-CG1 4.07Å; L1294-V1374 HydrophobicContact CD2-CG2 4.08Å; T1295-V1374 PolarHBondContact N-O 2.9Å; T1372-V1374 VanDerWaalsContact C-N 3.27Å; T1372-V1374 PolarHBondContact O-N 2.95Å; T1372-V1374 PolarHBondContact OG1-O 3.49Å; V1374-T1404 WeakPolarHBondContact CA-O 3.45Å
1375L94.2Very high83.9Confident0 Ų026.9 Ų26.90%014%0.144CC..EExtended strand (participates in β ladder)trans-121.8132.6178.5178.365.8000109.6T1295 I1297 A1367 L1377 I1396 F1400 T1404 V1405 L1406T1295-L1375 HydrophobicContact CG2-CD1 4.13Å; T1295-L1375 CarbonylContact O-C 3.47Å; T1295-L1375 WeakPolarHBondContact O-CA 3.27Å; I1297-L1375 HydrophobicContact CG1-CD1 4.34Å; A1367-L1375 HydrophobicContact CB-CD1 4.17Å; L1375-L1377 HydrophobicContact CD2-CD2 4.19Å; L1375-L1377 HydrophobicContact CG-CD2 4.24Å; L1375-I1396 HydrophobicContact CD2-CG2 4.27Å; L1375-F1400 HydrophobicContact CD2-CB 4.17Å; L1375-F1400 HydrophobicContact CD2-CD1 3.84Å; L1375-F1400 HydrophobicContact CD2-CD2 3.93Å; L1375-F1400 HydrophobicContact CD2-CE1 4.14Å; L1375-F1400 HydrophobicContact CD2-CE2 4.22Å; L1375-F1400 HydrophobicContact CD2-CG 3.71Å; L1375-F1400 HydrophobicContact CD2-CZ 4.31Å; L1375-T1404 PolarHBondContact N-O 2.99Å; L1375-V1405 HydrophobicContact CB-CG2 4.44Å; L1375-V1405 HydrophobicContact CD2-CG1 4.45Å; L1375-V1405 HydrophobicContact CD2-CG2 4.48Å; L1375-V1405 CarbonylContact O-C 3.42Å; L1375-V1405 WeakPolarHBondContact O-CA 3.42Å; L1375-L1406 PolarHBondContact O-N 2.94Å
1376V93.7Very high82.2Confident2 Ų228.7 Ų28.71%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-116.7130.8175.7-1770000109.6T1261 L1264 F1265 T1295 I1296 I1297 L1406T1261-V1376 HydrophobicContact CG2-CG1 3.47Å; T1261-V1376 VanDerWaalsContact CG2-CG1 3.47Å; L1264-V1376 HydrophobicContact CD1-CG2 4.18Å; F1265-V1376 HydrophobicContact CE2-CB 4.37Å; F1265-V1376 HydrophobicContact CE2-CG2 3.99Å; T1295-V1376 PolarHBondContact O-N 2.87Å; I1296-V1376 CarbonylContact C-O 3.47Å; I1296-V1376 VanDerWaalsContact CA-O 3.26Å; I1296-V1376 WeakPolarHBondContact CA-O 3.46Å; I1296-V1376 HydrophobicContact CB-CB 4.35Å; I1296-V1376 HydrophobicContact CD1-CB 4.45Å; I1296-V1376 HydrophobicContact CD1-CG1 4.23Å; I1296-V1376 HydrophobicContact CG1-CB 4.13Å; I1296-V1376 HydrophobicContact CG1-CG1 4.28Å; I1297-V1376 PolarHBondContact N-O 3.29Å; V1376-L1406 CarbonylContact C-O 3.59Å; V1376-L1406 WeakPolarHBondContact CA-O 3.47Å; V1376-L1406 HydrophobicContact CG2-CB 4.37Å; V1376-L1406 HydrophobicContact CG2-CD1 4.25Å
1377L91.3Very high80.7Confident3 Ų336.1 Ų36.12%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-113.6106.4173.9-50.3170.2000107.2I1297 L1375 A1380 I1396 V1405 L1406 T1407 I1408I1297-L1377 HydrophobicContact CB-CD2 3.8Å; I1297-L1377 HydrophobicContact CD1-CD2 3.56Å; I1297-L1377 HydrophobicContact CG1-CD2 3.79Å; L1375-L1377 HydrophobicContact CD2-CD2 4.19Å; L1375-L1377 HydrophobicContact CG-CD2 4.24Å; L1377-A1380 HydrophobicContact CB-CB 4.25Å; L1377-I1396 HydrophobicContact CD1-CD1 3.64Å; L1377-I1396 HydrophobicContact CD1-CG2 4.31Å; L1377-I1396 HydrophobicContact CD2-CD1 3.65Å; L1377-I1396 HydrophobicContact CG-CD1 4.31Å; L1377-V1405 HydrophobicContact CD1-CG1 3.96Å; L1377-V1405 HydrophobicContact CG-CG1 4.34Å; L1377-L1406 PolarHBondContact N-O 3.47Å; L1377-T1407 HydrophobicContact CB-CG2 4.3Å; L1377-T1407 HydrophobicContact CD1-CG2 4.05Å; L1377-T1407 WeakPolarHBondContact CD1-OG1 3.41Å; L1377-I1408 PolarHBondContact O-N 3.49Å
1378D88.2Confident79.7Confident5 Ų537 Ų373%0.02719%0.193CC..EExtended strand (participates in β ladder)trans-96.992.4-178.9-168.19.7000108.4S1258 T1261 I1296 I1297 P1298 Q1299 A1380 I1408S1258-D1378 PolarHBondContact OG-OD1 3.23Å; T1261-D1378 HydrophobicContact CG2-CB 4.44Å; I1296-D1378 HydrophobicContact CD1-CB 4.42Å; I1297-D1378 PolarHBondContact O-N 3.09Å; P1298-D1378 CarbonylContact C-O 3.43Å; Q1299-D1378 WeakPolarHBondContact CA-O 3.21Å; Q1299-D1378 VanDerWaalsContact CB-O 3.26Å; Q1299-D1378 WeakPolarHBondContact CB-O 3.47Å; Q1299-D1378 PolarHBondContact N-O 3.06Å; D1378-A1380 PolarHBondContact O-N 3.03Å; D1378-I1408 WeakPolarHBondContact OD1-CD1 3.45Å
1379E81.6Confident78.8Confident21 Ų2136.3 Ų36.310%0.09819%0.19CC..SBendtrans50.633.7179.9-60.5-175.5-175.400113.4K1257 Q1299 T1381 A1382 I1408K1257-E1379 VanDerWaalsContact CE-OE1 3.23Å; K1257-E1379 WeakPolarHBondContact CE-OE1 3.34Å; K1257-E1379 IonicContact NZ-OE1 3.2Å; Q1299-E1379 HydrophobicContact CB-CB 4.19Å; Q1299-E1379 VanDerWaalsContact CD-OE2 3.3Å; Q1299-E1379 HydrophobicContact CG-CB 3.91Å; Q1299-E1379 PolarHBondContact NE2-OE2 3.25Å; E1379-T1381 PolarHBondContact O-N 3.08Å; E1379-A1382 HydrophobicContact CB-CB 4.38Å; E1379-A1382 WeakPolarHBondContact O-CB 3.13Å; E1379-A1382 PolarHBondContact O-N 3.06Å; E1379-A1382 VanDerWaalsContact O-N 3.15Å; E1379-I1408 WeakPolarHBondContact CA-O 3.41Å; E1379-I1408 HydrophobicContact CG-CB 4.32Å; E1379-I1408 HydrophobicContact CG-CG2 3.6Å; E1379-I1408 PolarHBondContact N-O 3.47Å; E1379-I1408 VanDerWaalsContact N-O 3.07Å
1380A75.2Confident78.2Confident8 Ų840.4 Ų40.47%0.06621%0.212CC..THydrogen-bonded Turntrans-60.3-15.3-166.100000114.9I1297 Q1360 L1377 D1378I1297-A1380 HydrophobicContact CB-CB 4.27Å; I1297-A1380 HydrophobicContact CG2-CB 3.7Å; Q1360-A1380 WeakPolarHBondContact CG-O 3.42Å; Q1360-A1380 VanDerWaalsContact NE2-CA 3.35Å; Q1360-A1380 PolarHBondContact NE2-O 3.42Å; L1377-A1380 HydrophobicContact CB-CB 4.25Å; D1378-A1380 PolarHBondContact O-N 3.03Å
1381T72.4Confident77.6Confident10 Ų1041 Ų416%0.06122%0.218CC..THydrogen-bonded Turntrans-121.68.2-175.263.60000113.4E1379 A1383 V1384 D1389 I1392E1379-T1381 PolarHBondContact O-N 3.08Å; T1381-A1383 VanDerWaalsContact C-N 3.3Å; T1381-A1383 PolarHBondContact O-N 3.4Å; T1381-V1384 PolarHBondContact O-N 3.04Å; T1381-D1389 VanDerWaalsContact CB-CG 3.41Å; T1381-D1389 WeakPolarHBondContact CB-OD1 3.33Å; T1381-D1389 HydrophobicContact CG2-CB 4.36Å; T1381-D1389 WeakPolarHBondContact CG2-OD1 3.33Å; T1381-D1389 PolarHBondContact OG1-OD1 3.45Å; T1381-I1392 HydrophobicContact CG2-CB 4.37Å; T1381-I1392 HydrophobicContact CG2-CD1 4.17Å; T1381-I1392 HydrophobicContact CG2-CG2 4.08Å
1382A66Low77.4Confident40 Ų4034.7 Ų34.733%0.33119%0.19SC..THydrogen-bonded Turntrans-64.9-30-178.100000113.9E1379 H1410E1379-A1382 HydrophobicContact CB-CB 4.38Å; E1379-A1382 WeakPolarHBondContact O-CB 3.13Å; E1379-A1382 PolarHBondContact O-N 3.06Å; E1379-A1382 VanDerWaalsContact O-N 3.15Å; A1382-H1410 HydrophobicContact CB-CB 4.22Å
1383A61Low76.9Confident70 Ų7034.9 Ų34.958%0.57919%0.191SC*.THydrogen-bonded Turntrans-109.119.6-178.600000113V1356 T1381V1356-A1383 HydrophobicContact CG1-CB 3.84Å; V1356-A1383 VanDerWaalsContact CG1-O 3.26Å; V1356-A1383 WeakPolarHBondContact CG1-O 3.42Å; T1381-A1383 VanDerWaalsContact C-N 3.3Å; T1381-A1383 PolarHBondContact O-N 3.4Å
1384V64.9Low76.4Confident7 Ų737.2 Ų37.24%0.04220%0.203CC..SBendtrans-120.9142.1-171.4-176.80000109.9Q1360 T1381 T1388 I1392 R1411Q1360-V1384 HydrophobicContact CB-CG2 4.03Å; Q1360-V1384 HydrophobicContact CG-CG2 4.09Å; T1381-V1384 PolarHBondContact O-N 3.04Å; V1384-T1388 HydrophobicContact CG1-CG2 3.4Å; V1384-I1392 HydrophobicContact CG1-CD1 4.39Å; V1384-R1411 PolarHBondContact O-NH2 3.33Å
1385D64.2Low76Confident76 Ų7637.3 Ų37.341%0.40620%0.204SC..  trans-57.9151.3173.654.9-60.8000111.8E1387 T1388 D1389D1385-E1387 VanDerWaalsContact C-N 3.32Å; D1385-E1387 PolarHBondContact O-N 2.88Å; D1385-T1388 VanDerWaalsContact CG-OG1 3.23Å; D1385-T1388 PolarHBondContact O-N 3.47Å; D1385-T1388 VanDerWaalsContact OD1-CB 3.22Å; D1385-T1388 WeakPolarHBondContact OD1-CB 3.3Å; D1385-T1388 PolarHBondContact OD1-OG1 3.33Å; D1385-T1388 WeakPolarHBondContact OD2-CB 3.43Å; D1385-T1388 PolarHBondContact OD2-N 3.15Å; D1385-T1388 PolarHBondContact OD2-OG1 3.37Å; D1385-D1389 WeakPolarHBondContact O-CB 3.5Å; D1385-D1389 PolarHBondContact O-N 3.26Å
1386L56.5Low75.6Confident37 Ų3737.7 Ų37.719%0.19421%0.206CC..Hα-helixtrans-59.9-38.3-176.9-78.5179.8000113E778 T1388 D1389 D1390E778-L1386 WeakPolarHBondContact O-CD1 3.43Å; L1386-T1388 VanDerWaalsContact C-N 3.33Å; L1386-T1388 PolarHBondContact O-N 3.28Å; L1386-D1389 PolarHBondContact O-N 2.85Å; L1386-D1390 WeakPolarHBondContact O-CB 3.43Å; L1386-D1390 PolarHBondContact O-N 3.43Å
1387E61.9Low75.2Confident157 Ų15743.5 Ų43.573%0.73423%0.227SC*.Hα-helixtrans-59.4-46.3177.6-67.1-171.817100111.1D1385 L1391D1385-E1387 VanDerWaalsContact C-N 3.32Å; D1385-E1387 PolarHBondContact O-N 2.88Å; E1387-L1391 WeakPolarHBondContact O-CB 3.32Å; E1387-L1391 WeakPolarHBondContact O-CD1 3.12Å; E1387-L1391 WeakPolarHBondContact O-CG 3.26Å; E1387-L1391 PolarHBondContact O-N 3.41Å
1388T68.9Low74.9Confident18 Ų1847.1 Ų47.111%0.1125%0.253CS..Hα-helixtrans-72.7-34.5178.2-56.80000112.3L1361 V1384 D1385 L1386 L1391 I1392L1361-T1388 HydrophobicContact CD1-CG2 4.02Å; L1361-T1388 HydrophobicContact CD2-CG2 4Å; L1361-T1388 HydrophobicContact CG-CG2 3.86Å; V1384-T1388 HydrophobicContact CG1-CG2 3.4Å; D1385-T1388 VanDerWaalsContact CG-OG1 3.23Å; D1385-T1388 PolarHBondContact O-N 3.47Å; D1385-T1388 VanDerWaalsContact OD1-CB 3.22Å; D1385-T1388 WeakPolarHBondContact OD1-CB 3.3Å; D1385-T1388 PolarHBondContact OD1-OG1 3.33Å; D1385-T1388 WeakPolarHBondContact OD2-CB 3.43Å; D1385-T1388 PolarHBondContact OD2-N 3.15Å; D1385-T1388 PolarHBondContact OD2-OG1 3.37Å; L1386-T1388 VanDerWaalsContact C-N 3.33Å; L1386-T1388 PolarHBondContact O-N 3.28Å; T1388-L1391 PolarHBondContact O-N 2.97Å; T1388-I1392 HydrophobicContact CG2-CD1 3.96Å; T1388-I1392 HydrophobicContact CG2-CG1 4.4Å; T1388-I1392 WeakPolarHBondContact O-CB 3.38Å; T1388-I1392 WeakPolarHBondContact O-CD1 3.48Å; T1388-I1392 WeakPolarHBondContact O-CG1 3.4Å; T1388-I1392 PolarHBondContact O-N 3.02Å
1389D74.5Confident74.7Confident5 Ų551.2 Ų51.23%0.02727%0.269CS..Hα-helixtrans-58.6-51.5171.1-173.610000110.6T1381 D1385 L1386 L1391 I1392 Q1393 R1411T1381-D1389 VanDerWaalsContact CB-CG 3.41Å; T1381-D1389 WeakPolarHBondContact CB-OD1 3.33Å; T1381-D1389 HydrophobicContact CG2-CB 4.36Å; T1381-D1389 WeakPolarHBondContact CG2-OD1 3.33Å; T1381-D1389 PolarHBondContact OG1-OD1 3.45Å; D1385-D1389 WeakPolarHBondContact O-CB 3.5Å; D1385-D1389 PolarHBondContact O-N 3.26Å; L1386-D1389 PolarHBondContact O-N 2.85Å; D1389-L1391 VanDerWaalsContact C-N 3.32Å; D1389-L1391 PolarHBondContact O-N 3.11Å; D1389-I1392 PolarHBondContact O-N 2.97Å; D1389-I1392 VanDerWaalsContact O-N 3.14Å; D1389-Q1393 VanDerWaalsContact O-CG 3.31Å; D1389-Q1393 WeakPolarHBondContact O-CG 3.49Å; D1389-Q1393 PolarHBondContact O-N 3.45Å; D1389-R1411 IonicContact OD2-CZ 3.2Å; D1389-R1411 IonicContact OD2-NH1 3.64Å; D1389-R1411 PolarHBondContact OD2-NH1 3.34Å
1390D77.6Confident75.1Confident103 Ų10350.3 Ų50.355%0.55127%0.265SS*.Hα-helixtrans-60.3-40.5177.7-85.9-17.1000112.1L1386 K1394L1386-D1390 WeakPolarHBondContact O-CB 3.43Å; L1386-D1390 PolarHBondContact O-N 3.43Å; D1390-K1394 WeakPolarHBondContact O-CB 3.46Å; D1390-K1394 PolarHBondContact O-N 3.39Å
1391L76.3Confident75.6Confident57 Ų5752.8 Ų52.830%0.29829%0.285SS..Hα-helixtrans-60.3-50.1173-84.2159.3000111.5H1331 E1387 T1388 D1389 Q1393 K1394 T1395H1331-L1391 HydrophobicContact CB-CD2 4.18Å; H1331-L1391 VanDerWaalsContact CD2-CD2 3.4Å; H1331-L1391 WeakPolarHBondContact CD2-CD2 3.32Å; E1387-L1391 WeakPolarHBondContact O-CB 3.32Å; E1387-L1391 WeakPolarHBondContact O-CD1 3.12Å; E1387-L1391 WeakPolarHBondContact O-CG 3.26Å; E1387-L1391 PolarHBondContact O-N 3.41Å; T1388-L1391 PolarHBondContact O-N 2.97Å; D1389-L1391 VanDerWaalsContact C-N 3.32Å; D1389-L1391 PolarHBondContact O-N 3.11Å; L1391-Q1393 PolarHBondContact O-N 3.3Å; L1391-K1394 PolarHBondContact O-N 2.99Å; L1391-T1395 WeakPolarHBondContact O-CB 3.2Å; L1391-T1395 PolarHBondContact O-N 3.42Å; L1391-T1395 PolarHBondContact O-OG1 3.24Å; L1391-T1395 VanDerWaalsContact O-OG1 3.09Å
1392I79.6Confident76.4Confident1 Ų156 Ų561%0.00530%0.302CS..Hα-helixtrans-58.7-49.9178.7-71.4165.3000110.1Q1360 L1361 L1364 T1381 V1384 T1388 D1389 K1394 T1395 I1396Q1360-I1392 HydrophobicContact CB-CD1 4.11Å; Q1360-I1392 HydrophobicContact CG-CD1 3.68Å; L1361-I1392 HydrophobicContact CD2-CD1 4.29Å; L1361-I1392 HydrophobicContact CD2-CG1 3.69Å; L1364-I1392 HydrophobicContact CD2-CB 4.45Å; L1364-I1392 HydrophobicContact CD2-CG1 4.11Å; T1381-I1392 HydrophobicContact CG2-CB 4.37Å; T1381-I1392 HydrophobicContact CG2-CD1 4.17Å; T1381-I1392 HydrophobicContact CG2-CG2 4.08Å; V1384-I1392 HydrophobicContact CG1-CD1 4.39Å; T1388-I1392 HydrophobicContact CG2-CD1 3.96Å; T1388-I1392 HydrophobicContact CG2-CG1 4.4Å; T1388-I1392 WeakPolarHBondContact O-CB 3.38Å; T1388-I1392 WeakPolarHBondContact O-CD1 3.48Å; T1388-I1392 WeakPolarHBondContact O-CG1 3.4Å; T1388-I1392 PolarHBondContact O-N 3.02Å; D1389-I1392 PolarHBondContact O-N 2.97Å; D1389-I1392 VanDerWaalsContact O-N 3.14Å; I1392-K1394 PolarHBondContact O-N 3.44Å; I1392-T1395 PolarHBondContact O-N 3.4Å; I1392-I1396 HydrophobicContact CG2-CD1 3.5Å; I1392-I1396 HydrophobicContact CG2-CG1 4.43Å; I1392-I1396 WeakPolarHBondContact O-CB 3.12Å; I1392-I1396 WeakPolarHBondContact O-CD1 3.33Å; I1392-I1396 WeakPolarHBondContact O-CG1 3.41Å; I1392-I1396 PolarHBondContact O-N 3.1Å
1393Q80.1Confident77.6Confident16 Ų1654.1 Ų54.18%0.07529%0.286CS..Hα-helixtrans-62.7-43.9179.8-67.3-63.4-13.700112D1389 L1391 I1396 R1397D1389-Q1393 VanDerWaalsContact O-CG 3.31Å; D1389-Q1393 WeakPolarHBondContact O-CG 3.49Å; D1389-Q1393 PolarHBondContact O-N 3.45Å; L1391-Q1393 PolarHBondContact O-N 3.3Å; Q1393-I1396 PolarHBondContact O-N 2.93Å; Q1393-R1397 WeakPolarHBondContact O-CB 3.22Å; Q1393-R1397 VanDerWaalsContact O-CG 3.23Å; Q1393-R1397 WeakPolarHBondContact O-CG 3.41Å; Q1393-R1397 PolarHBondContact O-N 2.93Å
1394K83.3Confident79.2Confident144 Ų14450.8 Ų50.863%0.62626%0.259SS*.Hα-helixtrans-61.4-46.3177.1-175.6-177.9179.3-175.30111.6D1390 L1391 I1392 I1396 R1397 S1398D1390-K1394 WeakPolarHBondContact O-CB 3.46Å; D1390-K1394 PolarHBondContact O-N 3.39Å; L1391-K1394 PolarHBondContact O-N 2.99Å; I1392-K1394 PolarHBondContact O-N 3.44Å; K1394-I1396 VanDerWaalsContact C-N 3.34Å; K1394-R1397 PolarHBondContact O-N 3.07Å; K1394-S1398 PolarHBondContact O-N 3.3Å; K1394-S1398 PolarHBondContact O-OG 3.1Å
1395T84.7Confident80.6Confident4 Ų450.6 Ų50.63%0.02526%0.258CS..Hα-helixtrans-63.2-41.4177.1-63.90000111N1329 L1364 I1368 L1391 I1392 S1398 Y1399N1329-T1395 VanDerWaalsContact O-CG2 3.22Å; N1329-T1395 WeakPolarHBondContact O-CG2 3.33Å; N1329-T1395 PolarHBondContact O-OG1 2.89Å; L1364-T1395 HydrophobicContact CD1-CG2 4.38Å; L1364-T1395 HydrophobicContact CD2-CG2 3.92Å; L1364-T1395 HydrophobicContact CG-CG2 4.37Å; I1368-T1395 HydrophobicContact CD1-CG2 3.89Å; L1391-T1395 WeakPolarHBondContact O-CB 3.2Å; L1391-T1395 PolarHBondContact O-N 3.42Å; L1391-T1395 PolarHBondContact O-OG1 3.24Å; L1391-T1395 VanDerWaalsContact O-OG1 3.09Å; I1392-T1395 PolarHBondContact O-N 3.4Å; T1395-S1398 PolarHBondContact O-N 3.34Å; T1395-S1398 PolarHBondContact O-OG 2.89Å; T1395-S1398 VanDerWaalsContact O-OG 3.14Å; T1395-Y1399 HydrophobicContact CG2-CD2 4.01Å; T1395-Y1399 WeakPolarHBondContact O-CB 3.02Å; T1395-Y1399 PolarHBondContact O-N 3.47Å
1396I85.9Confident82Confident8 Ų847.1 Ų47.14%0.04124%0.239CC..Hα-helixtrans-62.2-47.7177.6-70.2162.9000110.9L1364 L1375 L1377 I1392 Q1393 K1394 S1398 F1400 V1405L1364-I1396 HydrophobicContact CD1-CD1 4.46Å; L1364-I1396 HydrophobicContact CD1-CG1 3.94Å; L1375-I1396 HydrophobicContact CD2-CG2 4.27Å; L1377-I1396 HydrophobicContact CD1-CD1 3.64Å; L1377-I1396 HydrophobicContact CD1-CG2 4.31Å; L1377-I1396 HydrophobicContact CD2-CD1 3.65Å; L1377-I1396 HydrophobicContact CG-CD1 4.31Å; I1392-I1396 HydrophobicContact CG2-CD1 3.5Å; I1392-I1396 HydrophobicContact CG2-CG1 4.43Å; I1392-I1396 WeakPolarHBondContact O-CB 3.12Å; I1392-I1396 WeakPolarHBondContact O-CD1 3.33Å; I1392-I1396 WeakPolarHBondContact O-CG1 3.41Å; I1392-I1396 PolarHBondContact O-N 3.1Å; Q1393-I1396 PolarHBondContact O-N 2.93Å; K1394-I1396 VanDerWaalsContact C-N 3.34Å; I1396-S1398 VanDerWaalsContact C-N 3.31Å; I1396-S1398 PolarHBondContact O-N 2.86Å; I1396-F1400 WeakPolarHBondContact O-CB 3.2Å; I1396-F1400 PolarHBondContact O-N 3.37Å; I1396-V1405 HydrophobicContact CG2-CG1 4.42Å
1397R84.7Confident83.7Confident123 Ų12346 Ų4646%0.46423%0.234SC..Hα-helixtrans-58.9-39.3177.9-73.3170.8178.51452.3112.5Q1393 K1394 D1417Q1393-R1397 WeakPolarHBondContact O-CB 3.22Å; Q1393-R1397 VanDerWaalsContact O-CG 3.23Å; Q1393-R1397 WeakPolarHBondContact O-CG 3.41Å; Q1393-R1397 PolarHBondContact O-N 2.93Å; K1394-R1397 PolarHBondContact O-N 3.07Å; R1397-D1417 IonicContact CZ-OD2 3.12Å; R1397-D1417 IonicContact NE-OD2 3.7Å; R1397-D1417 PolarHBondContact NE-OD2 3.38Å; R1397-D1417 VanDerWaalsContact NH2-CG 3.25Å; R1397-D1417 IonicContact NH2-OD1 2.7Å; R1397-D1417 PolarHBondContact NH2-OD1 3.28Å; R1397-D1417 IonicContact NH2-OD2 3.94Å; R1397-D1417 PolarHBondContact NH2-OD2 2.89Å
1398S85.1Confident85Confident79 Ų7938.7 Ų38.755%0.55220%0.199SC*.Hα-helixtrans-80.8-44-179.665.20000113.6K1394 T1395 I1396K1394-S1398 PolarHBondContact O-N 3.3Å; K1394-S1398 PolarHBondContact O-OG 3.1Å; T1395-S1398 PolarHBondContact O-N 3.34Å; T1395-S1398 PolarHBondContact O-OG 2.89Å; T1395-S1398 VanDerWaalsContact O-OG 3.14Å; I1396-S1398 VanDerWaalsContact C-N 3.31Å; I1396-S1398 PolarHBondContact O-N 2.86Å
1399Y84.8Confident85.4Confident92 Ų9238.2 Ų38.236%0.36120%0.197SC..Hα-helixtrans-87.7-25.6-171.1-92.4-82.6000114.4N1329 T1395N1329-Y1399 HydrophobicContact CB-CD2 4.31Å; N1329-Y1399 HydrophobicContact CB-CE1 4.43Å; N1329-Y1399 HydrophobicContact CB-CE2 3.63Å; N1329-Y1399 VanDerWaalsContact ND2-CZ 3.3Å; N1329-Y1399 PolarHBondContact ND2-OH 3.36Å; N1329-Y1399 PolarHBondContact OD1-OH 2.63Å; T1395-Y1399 HydrophobicContact CG2-CD2 4.01Å; T1395-Y1399 WeakPolarHBondContact O-CB 3.02Å; T1395-Y1399 PolarHBondContact O-N 3.47Å
1400F89.2Confident85.1Confident2 Ų243.3 Ų43.31%0.00922%0.221CC..SBendtrans-116.626.7-177.2-59.6-90.8000111.9K1246 A1367 I1368 L1375 I1396 D1402 C1403 V1405K1246-F1400 PolarHBondContact NZ-O 2.8Å; A1367-F1400 HydrophobicContact CB-CZ 3.9Å; I1368-F1400 HydrophobicContact CG1-CE2 4.08Å; I1368-F1400 HydrophobicContact CG1-CZ 4.16Å; L1375-F1400 HydrophobicContact CD2-CB 4.17Å; L1375-F1400 HydrophobicContact CD2-CD1 3.84Å; L1375-F1400 HydrophobicContact CD2-CD2 3.93Å; L1375-F1400 HydrophobicContact CD2-CE1 4.14Å; L1375-F1400 HydrophobicContact CD2-CE2 4.22Å; L1375-F1400 HydrophobicContact CD2-CG 3.71Å; L1375-F1400 HydrophobicContact CD2-CZ 4.31Å; I1396-F1400 WeakPolarHBondContact O-CB 3.2Å; I1396-F1400 PolarHBondContact O-N 3.37Å; F1400-D1402 PolarHBondContact O-N 3.38Å; F1400-C1403 HydrophobicContact CB-CB 4.13Å; F1400-C1403 HydrophobicContact CD1-CB 4.42Å; F1400-C1403 PolarHBondContact O-N 2.94Å; F1400-V1405 HydrophobicContact CB-CG2 4.36Å
1401A86.1Confident84.8Confident60 Ų6041 Ų4150%0.49620%0.204SC..THydrogen-bonded Turntrans-56.2-38.7178.200000112.1K1246K1246-A1401 PolarHBondContact NZ-O 3.18Å
1402D88.4Confident84.9Confident76 Ų7639.2 Ų39.241%0.40620%0.195SC..THydrogen-bonded Turntrans-91.511.9-178.566.6-29000114.4R1373 F1400R1373-D1402 IonicContact CZ-OD2 2.95Å; R1373-D1402 VanDerWaalsContact NH1-CG 3.32Å; R1373-D1402 PolarHBondContact NH1-O 2.55Å; R1373-D1402 IonicContact NH1-OD2 2.68Å; R1373-D1402 PolarHBondContact NH1-OD2 2.81Å; F1400-D1402 PolarHBondContact O-N 3.38Å
1403C92.2Very high84.6Confident1 Ų143.7 Ų43.71%0.00722%0.219CC..SBendtrans-113.9149.8-178.4-60.30000110.9K1246 T1372 R1373 F1400 V1405K1246-C1403 PolarHBondContact NZ-O 3Å; T1372-C1403 PolarHBondContact O-SG 3.35Å; T1372-C1403 VanDerWaalsContact O-SG 3.41Å; R1373-C1403 CarbonylContact O-C 3.43Å; R1373-C1403 WeakPolarHBondContact O-CA 3.49Å; R1373-C1403 WeakPolarHBondContact O-CB 2.89Å; F1400-C1403 HydrophobicContact CB-CB 4.13Å; F1400-C1403 HydrophobicContact CD1-CB 4.42Å; F1400-C1403 PolarHBondContact O-N 2.94Å; C1403-V1405 PolarHBondContact O-N 3.28Å
1404T94.5Very high84.4Confident0 Ų043.6 Ų43.60%022%0.22CC..EExtended strand (participates in β ladder)trans-70.9124.2168.4-54.10000108.8G1215 I1241 G1244 E1245 R1373 V1374 L1375G1215-T1404 WeakPolarHBondContact O-CB 3.4Å; G1215-T1404 PolarHBondContact O-OG1 3.49Å; I1241-T1404 HydrophobicContact CG2-CG2 3.73Å; G1244-T1404 PolarHBondContact N-OG1 2.77Å; E1245-T1404 WeakPolarHBondContact O-CA 3.26Å; R1373-T1404 PolarHBondContact O-N 2.67Å; V1374-T1404 WeakPolarHBondContact CA-O 3.45Å; L1375-T1404 PolarHBondContact N-O 2.99Å
1405V93.8Very high84.4Confident4 Ų436.8 Ų36.82%0.02419%0.19CC..EExtended strand (participates in β ladder)trans-119.1123-177.3-1740000109.6E1245 K1246 I1247 L1375 L1377 I1396 F1400 C1403E1245-V1405 PolarHBondContact O-N 2.91Å; K1246-V1405 WeakPolarHBondContact CA-O 3.36Å; K1246-V1405 HydrophobicContact CD-CB 3.74Å; K1246-V1405 HydrophobicContact CD-CG2 3.69Å; I1247-V1405 PolarHBondContact N-O 3.3Å; L1375-V1405 HydrophobicContact CB-CG2 4.44Å; L1375-V1405 HydrophobicContact CD2-CG1 4.45Å; L1375-V1405 HydrophobicContact CD2-CG2 4.48Å; L1375-V1405 CarbonylContact O-C 3.42Å; L1375-V1405 WeakPolarHBondContact O-CA 3.42Å; L1377-V1405 HydrophobicContact CD1-CG1 3.96Å; L1377-V1405 HydrophobicContact CG-CG1 4.34Å; I1396-V1405 HydrophobicContact CG2-CG1 4.42Å; F1400-V1405 HydrophobicContact CB-CG2 4.36Å; C1403-V1405 PolarHBondContact O-N 3.28Å
1406L94Very high84.4Confident3 Ų339.5 Ų39.52%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-108.6110.8174.9-54.3179.4000108.8I1241 I1247 I1249 L1264 L1375 V1376 L1377I1241-L1406 HydrophobicContact CD1-CD2 3.64Å; I1241-L1406 HydrophobicContact CG2-CD2 4.44Å; I1247-L1406 HydrophobicContact CB-CD2 3.73Å; I1247-L1406 HydrophobicContact CG1-CD2 3.91Å; I1247-L1406 HydrophobicContact CG2-CD2 4.43Å; I1249-L1406 HydrophobicContact CD1-CB 4.22Å; L1264-L1406 HydrophobicContact CD1-CD1 3.37Å; L1375-L1406 PolarHBondContact O-N 2.94Å; V1376-L1406 CarbonylContact C-O 3.59Å; V1376-L1406 WeakPolarHBondContact CA-O 3.47Å; V1376-L1406 HydrophobicContact CG2-CB 4.37Å; V1376-L1406 HydrophobicContact CG2-CD1 4.25Å; L1377-L1406 PolarHBondContact N-O 3.47Å
1407T92.4Very high84.2Confident13 Ų1343.2 Ų43.28%0.0822%0.223CC..EExtended strand (participates in β ladder)trans-110.4109.1-174.4-52.90000110.4I1247 G1248 I1249 L1377 I1415I1247-T1407 PolarHBondContact O-N 2.79Å; G1248-T1407 CarbonylContact C-O 3.57Å; G1248-T1407 WeakPolarHBondContact CA-O 3.34Å; I1249-T1407 PolarHBondContact N-O 3.04Å; L1377-T1407 HydrophobicContact CB-CG2 4.3Å; L1377-T1407 HydrophobicContact CD1-CG2 4.05Å; L1377-T1407 WeakPolarHBondContact CD1-OG1 3.41Å; T1407-I1415 HydrophobicContact CG2-CG2 3.72Å
1408I89.3Confident84.4Confident3 Ų337.9 Ų37.92%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-82.1117.4167-60.2174.8000108I1249 K1257 T1261 L1377 D1378 E1379I1249-I1408 HydrophobicContact CB-CG1 3.95Å; I1249-I1408 HydrophobicContact CD1-CG1 4.03Å; I1249-I1408 HydrophobicContact CG2-CG1 4.18Å; I1249-I1408 WeakPolarHBondContact O-CA 3.48Å; K1257-I1408 HydrophobicContact CB-CD1 3.99Å; K1257-I1408 HydrophobicContact CB-CG1 4.45Å; K1257-I1408 HydrophobicContact CB-CG2 3.91Å; K1257-I1408 HydrophobicContact CD-CG2 3.87Å; K1257-I1408 HydrophobicContact CG-CG2 4.5Å; K1257-I1408 WeakPolarHBondContact O-CD1 3.35Å; T1261-I1408 HydrophobicContact CG2-CD1 3.23Å; T1261-I1408 HydrophobicContact CG2-CG1 4.28Å; L1377-I1408 PolarHBondContact O-N 3.49Å; D1378-I1408 WeakPolarHBondContact OD1-CD1 3.45Å; E1379-I1408 WeakPolarHBondContact CA-O 3.41Å; E1379-I1408 HydrophobicContact CG-CB 4.32Å; E1379-I1408 HydrophobicContact CG-CG2 3.6Å; E1379-I1408 PolarHBondContact N-O 3.47Å; E1379-I1408 VanDerWaalsContact N-O 3.07Å
1409A77.5Confident84.8Confident8 Ų838.3 Ų38.37%0.06620%0.201CC..  trans-105.7133.3-177.900000111.8I1249 V1250 T1414 I1415I1249-A1409 PolarHBondContact O-N 3.27Å; I1249-A1409 VanDerWaalsContact O-N 3.14Å; V1250-A1409 HydrophobicContact CG1-CB 4.41Å; A1409-T1414 VanDerWaalsContact CB-OG1 3.29Å; A1409-T1414 WeakPolarHBondContact CB-OG1 3.35Å; A1409-I1415 HydrophobicContact CB-CB 4.33Å; A1409-I1415 HydrophobicContact CB-CD1 4.06Å; A1409-I1415 HydrophobicContact CB-CG1 3.93Å; A1409-I1415 HydrophobicContact CB-CG2 3.54Å
1410H68.7Low85.3Confident113 Ų11336.6 Ų36.652%0.52319%0.194SC..SBendtrans-85.7-40.3157.4-168.7-87.6000110.3A1382A1382-H1410 HydrophobicContact CB-CB 4.22Å
1411R71.3Confident85.5Confident54 Ų5436.5 Ų36.520%0.20419%0.193CC..SBendtrans-92.1109.7176.1-66178.4177.41551.3110.1V1384 D1389 N1413 T1414V1384-R1411 PolarHBondContact O-NH2 3.33Å; D1389-R1411 IonicContact OD2-CZ 3.2Å; D1389-R1411 IonicContact OD2-NH1 3.64Å; D1389-R1411 PolarHBondContact OD2-NH1 3.34Å; R1411-N1413 PolarHBondContact O-N 3.32Å; R1411-N1413 VanDerWaalsContact O-N 3.09Å; R1411-T1414 HydrophobicContact CB-CG2 3.98Å; R1411-T1414 WeakPolarHBondContact O-CB 3.36Å; R1411-T1414 PolarHBondContact O-N 2.95Å; R1411-T1414 PolarHBondContact O-OG1 3.18Å
1412L77Confident85.9Confident19 Ų1933.7 Ų33.710%0.09917%0.17CC..G310 helixtrans-54-33.5-178.6-67.7179.8000113.5V1250 T1414 I1415 M1416 F1446 M1449 A1450 A1453 L1455V1250-L1412 HydrophobicContact CB-CD2 4.37Å; V1250-L1412 HydrophobicContact CG1-CD2 3.63Å; L1412-T1414 PolarHBondContact O-N 2.89Å; L1412-T1414 VanDerWaalsContact O-N 3.11Å; L1412-I1415 HydrophobicContact CD2-CD1 4.48Å; L1412-I1415 WeakPolarHBondContact O-CG1 3.44Å; L1412-I1415 PolarHBondContact O-N 2.96Å; L1412-I1415 VanDerWaalsContact O-N 3.11Å; L1412-M1416 WeakPolarHBondContact O-CG 3.43Å; L1412-M1416 PolarHBondContact O-N 3.47Å; L1412-F1446 HydrophobicContact CD2-CE2 4.07Å; L1412-M1449 HydrophobicContact CD1-CB 3.97Å; L1412-M1449 WeakPolarHBondContact CD1-O 3.02Å; L1412-A1450 HydrophobicContact CD1-CB 4.37Å; L1412-A1453 HydrophobicContact CD1-CB 3.76Å; L1412-L1455 HydrophobicContact CB-CD1 3.57Å; L1412-L1455 HydrophobicContact CD1-CD1 4.19Å
1413N74.4Confident86.1Confident95 Ų9530.1 Ų30.151%0.50815%0.151SC..G310 helixtrans-54.8-29.7176.2-76.8-35000114.5R1411 I1415 L1455R1411-N1413 PolarHBondContact O-N 3.32Å; R1411-N1413 VanDerWaalsContact O-N 3.09Å; N1413-I1415 PolarHBondContact O-N 3.43Å; N1413-L1455 WeakPolarHBondContact OD1-CD2 3.33Å
1414T75Confident85.9Confident15 Ų1530.1 Ų30.19%0.09215%0.151CC..G310 helixtrans-72.9-10.9-177.561.20000113.7A1409 R1411 L1412A1409-T1414 VanDerWaalsContact CB-OG1 3.29Å; A1409-T1414 WeakPolarHBondContact CB-OG1 3.35Å; R1411-T1414 HydrophobicContact CB-CG2 3.98Å; R1411-T1414 WeakPolarHBondContact O-CB 3.36Å; R1411-T1414 PolarHBondContact O-N 2.95Å; R1411-T1414 PolarHBondContact O-OG1 3.18Å; L1412-T1414 PolarHBondContact O-N 2.89Å; L1412-T1414 VanDerWaalsContact O-N 3.11Å
1415I84Confident85.6Confident0 Ų033.8 Ų33.80%017%0.17CC..G310 helixtrans-125.51.8-177.157159.3000113.6V1250 T1407 A1409 L1412 N1413 D1417 S1418 I1421V1250-I1415 HydrophobicContact CG1-CD1 3.2Å; V1250-I1415 HydrophobicContact CG1-CG1 4.47Å; T1407-I1415 HydrophobicContact CG2-CG2 3.72Å; A1409-I1415 HydrophobicContact CB-CB 4.33Å; A1409-I1415 HydrophobicContact CB-CD1 4.06Å; A1409-I1415 HydrophobicContact CB-CG1 3.93Å; A1409-I1415 HydrophobicContact CB-CG2 3.54Å; L1412-I1415 HydrophobicContact CD2-CD1 4.48Å; L1412-I1415 WeakPolarHBondContact O-CG1 3.44Å; L1412-I1415 PolarHBondContact O-N 2.96Å; L1412-I1415 VanDerWaalsContact O-N 3.11Å; N1413-I1415 PolarHBondContact O-N 3.43Å; I1415-D1417 PolarHBondContact O-N 3.06Å; I1415-S1418 WeakPolarHBondContact CA-OG 3.12Å; I1415-S1418 WeakPolarHBondContact O-CB 3.4Å; I1415-S1418 PolarHBondContact O-N 3.14Å; I1415-S1418 PolarHBondContact O-OG 3.32Å; I1415-I1421 HydrophobicContact CD1-CD1 4.03Å; I1415-I1421 HydrophobicContact CD1-CG1 4.22Å; I1415-I1421 HydrophobicContact CD1-CG2 4.1Å; I1415-I1421 HydrophobicContact CG1-CD1 4.41Å
1416M83.7Confident85.1Confident61 Ų6136.5 Ų36.530%0.319%0.193SC..THydrogen-bonded Turntrans-63.5-22.5179.7-70.6-60.8-6700113.1L1412 P1435 L1439 F1446 L1455L1412-M1416 WeakPolarHBondContact O-CG 3.43Å; L1412-M1416 PolarHBondContact O-N 3.47Å; M1416-P1435 WeakPolarHBondContact O-CG 3.38Å; M1416-L1439 HydrophobicContact CE-CD1 3.74Å; M1416-F1446 HydrophobicContact SD-CE1 4.48Å; M1416-F1446 HydrophobicContact SD-CZ 3.93Å; M1416-L1455 HydrophobicContact CG-CD1 4.43Å; M1416-L1455 HydrophobicContact SD-CD1 4.23Å
1417D83.2Confident84.7Confident87 Ų8736.4 Ų36.447%0.46519%0.193SC..THydrogen-bonded Turntrans-93.78.8174.262.7-46.4000113.7R1397 I1415R1397-D1417 IonicContact CZ-OD2 3.12Å; R1397-D1417 IonicContact NE-OD2 3.7Å; R1397-D1417 PolarHBondContact NE-OD2 3.38Å; R1397-D1417 VanDerWaalsContact NH2-CG 3.25Å; R1397-D1417 IonicContact NH2-OD1 2.7Å; R1397-D1417 PolarHBondContact NH2-OD1 3.28Å; R1397-D1417 IonicContact NH2-OD2 3.94Å; R1397-D1417 PolarHBondContact NH2-OD2 2.89Å; I1415-D1417 PolarHBondContact O-N 3.06Å
1418S88.6Confident84.7Confident10 Ų1042.6 Ų42.67%0.0722%0.215CC..SBendtrans-70.3148.2175-54.80000111.1G1248 I1415 R1420 P1435G1248-S1418 PolarHBondContact N-OG 3.31Å; I1415-S1418 WeakPolarHBondContact CA-OG 3.12Å; I1415-S1418 WeakPolarHBondContact O-CB 3.4Å; I1415-S1418 PolarHBondContact O-N 3.14Å; I1415-S1418 PolarHBondContact O-OG 3.32Å; S1418-R1420 VanDerWaalsContact C-N 3.27Å; S1418-R1420 WeakPolarHBondContact CB-O 3.45Å; S1418-R1420 PolarHBondContact O-N 2.9Å; S1418-P1435 VanDerWaalsContact O-CD 3.32Å; S1418-P1435 WeakPolarHBondContact O-CD 3.39Å; S1418-P1435 WeakPolarHBondContact O-CG 3.38Å
1419D92.8Very high84.8Confident89 Ų8944.5 Ų44.548%0.47623%0.225SC..SBendtrans-61.1-40.9175.6-62-49.2000110.7E1245 K1246E1245-D1419 HydrophobicContact CG-CB 3.88Å; K1246-D1419 PolarHBondContact N-OD2 3.12Å; K1246-D1419 WeakPolarHBondContact O-CB 3.36Å; K1246-D1419 PolarHBondContact O-N 2.89Å
1420R95.3Very high85.4Confident56 Ų5646.6 Ų46.621%0.21124%0.242CC..EExtended strand (participates in β ladder)trans-142.6154.8172.2-68.3-172.7-72.1170-0111.7S1240 E1245 K1246 I1247 G1248 S1418 F1432 D1433S1240-R1420 PolarHBondContact O-NH2 2.8Å; E1245-R1420 IonicContact OE1-CZ 3.96Å; E1245-R1420 IonicContact OE1-NE 3.19Å; E1245-R1420 PolarHBondContact OE1-NE 2.95Å; E1245-R1420 IonicContact OE1-NH2 2.87Å; E1245-R1420 PolarHBondContact OE1-NH2 2.86Å; E1245-R1420 IonicContact OE2-CZ 2.8Å; E1245-R1420 IonicContact OE2-NH2 2.71Å; E1245-R1420 PolarHBondContact OE2-NH2 3.24Å; K1246-R1420 PolarHBondContact O-N 3.27Å; I1247-R1420 WeakPolarHBondContact CA-O 3.26Å; I1247-R1420 HydrophobicContact CD1-CB 3.89Å; G1248-R1420 PolarHBondContact N-O 3.48Å; S1418-R1420 VanDerWaalsContact C-N 3.27Å; S1418-R1420 WeakPolarHBondContact CB-O 3.45Å; S1418-R1420 PolarHBondContact O-N 2.9Å; R1420-F1432 HydrophobicContact CB-CD2 4.42Å; R1420-F1432 HydrophobicContact CB-CE2 3.96Å; R1420-F1432 VanDerWaalsContact CZ-CZ 3.49Å; R1420-D1433 CarbonylContact C-O 3.57Å; R1420-D1433 WeakPolarHBondContact CA-O 3.14Å
1421I93.8Very high86.5Confident0 Ų042.6 Ų42.60%022%0.223CC..EExtended strand (participates in β ladder)trans-117.3128.8174.7-62.8175.9000108.8G1248 V1250 I1415 V1423 F1432 D1433 P1435 L1438 F1446G1248-I1421 CarbonylContact O-C 3.6Å; G1248-I1421 VanDerWaalsContact O-CA 3.3Å; G1248-I1421 WeakPolarHBondContact O-CA 3.4Å; V1250-I1421 HydrophobicContact CG2-CG2 3.75Å; I1415-I1421 HydrophobicContact CD1-CD1 4.03Å; I1415-I1421 HydrophobicContact CD1-CG1 4.22Å; I1415-I1421 HydrophobicContact CD1-CG2 4.1Å; I1415-I1421 HydrophobicContact CG1-CD1 4.41Å; I1421-V1423 HydrophobicContact CG2-CG2 4.41Å; I1421-F1432 WeakPolarHBondContact O-CA 3.33Å; I1421-D1433 PolarHBondContact N-O 3.03Å; I1421-D1433 PolarHBondContact O-N 2.96Å; I1421-P1435 HydrophobicContact CD1-CB 3.82Å; I1421-P1435 HydrophobicContact CD1-CG 3.7Å; I1421-P1435 HydrophobicContact CG1-CG 4Å; I1421-L1438 HydrophobicContact CB-CD1 3.7Å; I1421-L1438 HydrophobicContact CG2-CD1 4.02Å; I1421-F1446 HydrophobicContact CD1-CE1 4.06Å; I1421-F1446 HydrophobicContact CD1-CE2 3.67Å; I1421-F1446 HydrophobicContact CD1-CZ 3.35Å; I1421-F1446 HydrophobicContact CG2-CD2 4.07Å; I1421-F1446 HydrophobicContact CG2-CE2 3.93Å
1422M94.1Very high87.6Confident1 Ų142.2 Ų42.21%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-100.1115.7174.1-175.2-174.4-65.600109.5C1239 I1247 G1248 I1249 V1250 L1260 L1424 I1429 F1432C1239-M1422 HydrophobicContact CB-CE 4.16Å; C1239-M1422 VanDerWaalsContact SG-CE 3.56Å; I1247-M1422 HydrophobicContact CG2-CB 4.28Å; G1248-M1422 PolarHBondContact O-N 3.4Å; I1249-M1422 WeakPolarHBondContact CA-O 3.22Å; I1249-M1422 HydrophobicContact CG1-CB 4.29Å; V1250-M1422 PolarHBondContact N-O 3.2Å; L1260-M1422 HydrophobicContact CD2-SD 3.83Å; M1422-L1424 HydrophobicContact SD-CD2 4.33Å; M1422-L1424 HydrophobicContact SD-CG 4.49Å; M1422-I1429 HydrophobicContact CE-CD1 3.89Å; M1422-I1429 HydrophobicContact CG-CD1 4.25Å; M1422-I1429 HydrophobicContact CG-CG1 4.06Å; M1422-I1429 HydrophobicContact CG-CG2 4.12Å; M1422-I1429 HydrophobicContact SD-CD1 3.83Å; M1422-I1429 HydrophobicContact SD-CG1 3.94Å; M1422-F1432 HydrophobicContact CB-CD2 3.65Å; M1422-F1432 HydrophobicContact CB-CE2 4.01Å; M1422-F1432 HydrophobicContact CE-CD2 4.28Å; M1422-F1432 HydrophobicContact CE-CE2 4.03Å; M1422-F1432 HydrophobicContact CE-CZ 4.24Å; M1422-F1432 HydrophobicContact CG-CD2 4.17Å
1423V92.2Very high88.4Confident0 Ų044.5 Ų44.50%024%0.236CC..EExtended strand (participates in β ladder)trans-96115174.8-172.50000108.9V1250 I1421 A1430 E1431 L1438 I1445 F1446V1250-V1423 HydrophobicContact CG2-CB 4.3Å; V1250-V1423 HydrophobicContact CG2-CG1 4.4Å; V1250-V1423 HydrophobicContact CG2-CG2 3.82Å; I1421-V1423 HydrophobicContact CG2-CG2 4.41Å; V1423-A1430 PolarHBondContact O-N 3.37Å; V1423-E1431 HydrophobicContact CB-CB 3.92Å; V1423-E1431 HydrophobicContact CB-CG 4.45Å; V1423-E1431 HydrophobicContact CG2-CB 3.81Å; V1423-E1431 HydrophobicContact CG2-CG 4.48Å; V1423-E1431 PolarHBondContact N-O 3.34Å; V1423-E1431 PolarHBondContact O-N 3.01Å; V1423-L1438 HydrophobicContact CG2-CD1 4.37Å; V1423-I1445 HydrophobicContact CG1-CB 4.01Å; V1423-I1445 HydrophobicContact CG1-CG2 3.73Å; V1423-F1446 HydrophobicContact CG2-CB 3.91Å; V1423-F1446 HydrophobicContact CG2-CD2 4.33Å
1424L89.4Confident89.2Confident1 Ų141.4 Ų41.41%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-94.1130.7174.3-70.7172.1000110.3I1249 V1250 G1251 A1255 K1257 L1260 M1422 R1428 I1429I1249-L1424 HydrophobicContact CG2-CD1 3.74Å; I1249-L1424 HydrophobicContact CG2-CG 4.36Å; V1250-L1424 PolarHBondContact O-N 2.69Å; G1251-L1424 VanDerWaalsContact CA-O 3.31Å; G1251-L1424 WeakPolarHBondContact CA-O 3.01Å; A1255-L1424 HydrophobicContact CB-CB 4.11Å; A1255-L1424 VanDerWaalsContact CB-O 3.31Å; A1255-L1424 WeakPolarHBondContact CB-O 3.48Å; K1257-L1424 HydrophobicContact CB-CD1 4.36Å; K1257-L1424 HydrophobicContact CG-CD1 4.1Å; L1260-L1424 HydrophobicContact CD2-CD1 4.46Å; M1422-L1424 HydrophobicContact SD-CD2 4.33Å; M1422-L1424 HydrophobicContact SD-CG 4.49Å; L1424-R1428 WeakPolarHBondContact CA-O 3.49Å; L1424-I1429 HydrophobicContact CD2-CG1 3.9Å
1425D87.2Confident89.9Confident77 Ų7741.4 Ų41.441%0.41222%0.222SC..EExtended strand (participates in β ladder)trans-136.7130.2171.2-174.237.7000110.7G1427 R1428 A1430 I1445D1425-G1427 PolarHBondContact O-N 2.91Å; D1425-R1428 PolarHBondContact N-O 2.94Å; D1425-R1428 PolarHBondContact O-N 3.46Å; D1425-A1430 HydrophobicContact CB-CB 4.12Å; D1425-I1445 HydrophobicContact CB-CD1 4.08Å
1426A83.8Confident90.1Very high62 Ų6244.8 Ų44.851%0.51225%0.25SC..THydrogen-bonded Turntrans45.134.3-179.400000115.7
1427G85.8Confident90.4Very high1 Ų145.7 Ų45.71%0.0126%0.256CS..THydrogen-bonded Turntrans86.66.6179.900000115.8C1233 L1234 K1235 A1255 D1425C1233-G1427 WeakPolarHBondContact O-CA 3.25Å; L1234-G1427 WeakPolarHBondContact CA-O 3.14Å; K1235-G1427 PolarHBondContact N-O 3.48Å; A1255-G1427 WeakPolarHBondContact O-CA 3.33Å; A1255-G1427 PolarHBondContact O-N 3.49Å; A1255-G1427 VanDerWaalsContact O-N 3.09Å; D1425-G1427 PolarHBondContact O-N 2.91Å
1428R91.9Very high90.6Very high143 Ų14342.1 Ų42.154%0.5424%0.237SC..EExtended strand (participates in β ladder)trans-118154.1178.6-64.3-175.7169.6169.3-1.6110.6K1235 L1424 D1425 A1430K1235-R1428 HydrophobicContact CB-CG 3.89Å; K1235-R1428 WeakPolarHBondContact O-CG 3.17Å; L1424-R1428 WeakPolarHBondContact CA-O 3.49Å; D1425-R1428 PolarHBondContact N-O 2.94Å; D1425-R1428 PolarHBondContact O-N 3.46Å; R1428-A1430 PolarHBondContact O-N 3.05Å
1429I92.1Very high90.6Very high42 Ų4243.8 Ų43.822%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-77112167.2-61.3175.7000107.3V1237 C1239 M1422 L1424 F1432V1237-I1429 HydrophobicContact CG1-CD1 3.73Å; V1237-I1429 HydrophobicContact CG1-CG1 4.11Å; C1239-I1429 HydrophobicContact CB-CD1 3.71Å; M1422-I1429 HydrophobicContact CE-CD1 3.89Å; M1422-I1429 HydrophobicContact CG-CD1 4.25Å; M1422-I1429 HydrophobicContact CG-CG1 4.06Å; M1422-I1429 HydrophobicContact CG-CG2 4.12Å; M1422-I1429 HydrophobicContact SD-CD1 3.83Å; M1422-I1429 HydrophobicContact SD-CG1 3.94Å; L1424-I1429 HydrophobicContact CD2-CG1 3.9Å; I1429-F1432 HydrophobicContact CG2-CB 3.78Å
1430A89.9Confident90.2Very high52 Ų5243.9 Ų43.943%0.4325%0.252SS..EExtended strand (participates in β ladder)trans-86.5-41177.600000111.5V1423 D1425 R1428 I1445V1423-A1430 PolarHBondContact O-N 3.37Å; D1425-A1430 HydrophobicContact CB-CB 4.12Å; R1428-A1430 PolarHBondContact O-N 3.05Å; A1430-I1445 HydrophobicContact CB-CD1 3.83Å
1431E91.5Very high89.8Confident29 Ų2944.8 Ų44.814%0.13626%0.261CS..EExtended strand (participates in β ladder)trans-140.8141.3180-53.5175169.800109.2V1423 L1438 G1444 I1445 F1446V1423-E1431 HydrophobicContact CB-CB 3.92Å; V1423-E1431 HydrophobicContact CB-CG 4.45Å; V1423-E1431 HydrophobicContact CG2-CB 3.81Å; V1423-E1431 HydrophobicContact CG2-CG 4.48Å; V1423-E1431 PolarHBondContact N-O 3.34Å; V1423-E1431 PolarHBondContact O-N 3.01Å; E1431-L1438 HydrophobicContact CB-CD2 3.73Å; E1431-G1444 WeakPolarHBondContact OE1-CA 3.36Å; E1431-I1445 PolarHBondContact OE1-N 2.93Å; E1431-F1446 WeakPolarHBondContact OE2-CB 3.34Å; E1431-F1446 PolarHBondContact OE2-N 2.89Å; E1431-F1446 VanDerWaalsContact OE2-N 3.15Å
1432F93.9Very high89.3Confident47 Ų4749.1 Ų49.121%0.20629%0.288CS..EExtended strand (participates in β ladder)trans-152.891.5177.3-174.9-135.5000111.7C1239 I1241 I1247 R1420 I1421 M1422 I1429C1239-F1432 HydrophobicContact CB-CD1 4.16Å; C1239-F1432 HydrophobicContact CB-CE1 3.89Å; I1241-F1432 HydrophobicContact CG1-CZ 4.48Å; I1247-F1432 HydrophobicContact CD1-CE2 4.02Å; I1247-F1432 HydrophobicContact CD1-CZ 4.04Å; I1247-F1432 HydrophobicContact CG2-CE2 3.96Å; R1420-F1432 HydrophobicContact CB-CD2 4.42Å; R1420-F1432 HydrophobicContact CB-CE2 3.96Å; R1420-F1432 VanDerWaalsContact CZ-CZ 3.49Å; I1421-F1432 WeakPolarHBondContact O-CA 3.33Å; M1422-F1432 HydrophobicContact CB-CD2 3.65Å; M1422-F1432 HydrophobicContact CB-CE2 4.01Å; M1422-F1432 HydrophobicContact CE-CD2 4.28Å; M1422-F1432 HydrophobicContact CE-CE2 4.03Å; M1422-F1432 HydrophobicContact CE-CZ 4.24Å; M1422-F1432 HydrophobicContact CG-CD2 4.17Å; I1429-F1432 HydrophobicContact CG2-CB 3.78Å
1433D93.7Very high88.8Confident67 Ų6756.4 Ų56.436%0.35833%0.327SS..EExtended strand (participates in β ladder)trans-157.5178.8-176.5-151.6-30.8000110.7R1420 I1421 N1437 L1438R1420-D1433 CarbonylContact C-O 3.57Å; R1420-D1433 WeakPolarHBondContact CA-O 3.14Å; I1421-D1433 PolarHBondContact N-O 3.03Å; I1421-D1433 PolarHBondContact O-N 2.96Å; D1433-N1437 HydrophobicContact CB-CB 4.2Å; D1433-N1437 VanDerWaalsContact CG-ND2 3.34Å; D1433-N1437 PolarHBondContact OD1-ND2 3.37Å; D1433-N1437 PolarHBondContact OD2-ND2 3.14Å; D1433-L1438 HydrophobicContact CB-CD2 3.92Å; D1433-L1438 HydrophobicContact CB-CG 4.2Å
1434S92.5Very high88.4Confident30 Ų3056.6 Ų56.621%0.2133%0.329CS..  trans-60.4148.3174.169.60000111.8A1436 N1437 L1438S1434-A1436 PolarHBondContact O-N 3.36Å; S1434-N1437 PolarHBondContact O-N 3.39Å; S1434-N1437 VanDerWaalsContact OG-CG 3.23Å; S1434-N1437 PolarHBondContact OG-N 3.39Å; S1434-N1437 PolarHBondContact OG-ND2 3.28Å; S1434-L1438 PolarHBondContact O-N 2.88Å; S1434-L1438 VanDerWaalsContact O-N 3.1Å
1435P89.3Confident88.2Confident15 Ų1559 Ų5910%0.09734%0.341CS..Hα-helixtrans-52.1-41.5179.7-22.427.2000113.2M1416 S1418 I1421 N1437 L1438 L1439M1416-P1435 WeakPolarHBondContact O-CG 3.38Å; S1418-P1435 VanDerWaalsContact O-CD 3.32Å; S1418-P1435 WeakPolarHBondContact O-CD 3.39Å; S1418-P1435 WeakPolarHBondContact O-CG 3.38Å; I1421-P1435 HydrophobicContact CD1-CB 3.82Å; I1421-P1435 HydrophobicContact CD1-CG 3.7Å; I1421-P1435 HydrophobicContact CG1-CG 4Å; P1435-N1437 PolarHBondContact O-N 3.35Å; P1435-L1438 PolarHBondContact O-N 2.98Å; P1435-L1439 VanDerWaalsContact O-CG 3.24Å; P1435-L1439 WeakPolarHBondContact O-CG 3.5Å; P1435-L1439 PolarHBondContact O-N 3.32Å
1436A87.4Confident88.1Confident71 Ų7155.4 Ų55.459%0.58732%0.322SS*.Hα-helixtrans-62.8-41.3179.300000112.8S1434 S1440S1434-A1436 PolarHBondContact O-N 3.36Å; A1436-S1440 PolarHBondContact O-N 2.81Å
1437N89.1Confident88.2Confident80 Ų8054.9 Ų54.943%0.42831%0.307SS..Hα-helixtrans-67.7-41.5177.8-71.9-12.7000111.2D1433 S1434 P1435 S1440D1433-N1437 HydrophobicContact CB-CB 4.2Å; D1433-N1437 VanDerWaalsContact CG-ND2 3.34Å; D1433-N1437 PolarHBondContact OD1-ND2 3.37Å; D1433-N1437 PolarHBondContact OD2-ND2 3.14Å; S1434-N1437 PolarHBondContact O-N 3.39Å; S1434-N1437 VanDerWaalsContact OG-CG 3.23Å; S1434-N1437 PolarHBondContact OG-N 3.39Å; S1434-N1437 PolarHBondContact OG-ND2 3.28Å; P1435-N1437 PolarHBondContact O-N 3.35Å; N1437-S1440 WeakPolarHBondContact O-CB 3.34Å; N1437-S1440 PolarHBondContact O-N 3.49Å; N1437-S1440 PolarHBondContact O-OG 3.14Å
1438L88.2Confident87.8Confident12 Ų1257.2 Ų57.26%0.06332%0.323CS..Hα-helixtrans-66.2-39.2178.7-63.7-178000112.7I1421 V1423 E1431 D1433 S1434 P1435 S1440 N1441 F1446I1421-L1438 HydrophobicContact CB-CD1 3.7Å; I1421-L1438 HydrophobicContact CG2-CD1 4.02Å; V1423-L1438 HydrophobicContact CG2-CD1 4.37Å; E1431-L1438 HydrophobicContact CB-CD2 3.73Å; D1433-L1438 HydrophobicContact CB-CD2 3.92Å; D1433-L1438 HydrophobicContact CB-CG 4.2Å; S1434-L1438 PolarHBondContact O-N 2.88Å; S1434-L1438 VanDerWaalsContact O-N 3.1Å; P1435-L1438 PolarHBondContact O-N 2.98Å; L1438-S1440 VanDerWaalsContact C-N 3.26Å; L1438-S1440 PolarHBondContact O-N 3.03Å; L1438-N1441 PolarHBondContact O-N 2.79Å; L1438-F1446 HydrophobicContact CB-CB 4.05Å; L1438-F1446 HydrophobicContact CB-CD1 3.51Å; L1438-F1446 HydrophobicContact CB-CE1 4.28Å; L1438-F1446 HydrophobicContact CB-CG 4.01Å; L1438-F1446 HydrophobicContact CD1-CB 4.23Å; L1438-F1446 HydrophobicContact CD1-CD1 4.17Å; L1438-F1446 HydrophobicContact CD1-CG 4.07Å
1439L87.9Confident87.2Confident45 Ų4552 Ų5224%0.23631%0.305CS..Hα-helixtrans-68.8-23.5175.8-66.9168.2000113.1M1416 P1435 N1441 F1446 Y1447 A1450 I1456M1416-L1439 HydrophobicContact CE-CD1 3.74Å; P1435-L1439 VanDerWaalsContact O-CG 3.24Å; P1435-L1439 WeakPolarHBondContact O-CG 3.5Å; P1435-L1439 PolarHBondContact O-N 3.32Å; L1439-N1441 VanDerWaalsContact C-N 3.25Å; L1439-N1441 PolarHBondContact O-N 2.99Å; L1439-F1446 HydrophobicContact CD2-CD1 3.98Å; L1439-F1446 HydrophobicContact CD2-CE1 3.69Å; L1439-F1446 HydrophobicContact CG-CD1 4.2Å; L1439-F1446 HydrophobicContact CG-CE1 3.84Å; L1439-Y1447 VanDerWaalsContact O-CD2 3.27Å; L1439-Y1447 WeakPolarHBondContact O-CD2 3.47Å; L1439-A1450 HydrophobicContact CD2-CB 3.74Å; L1439-I1456 HydrophobicContact CD2-CD1 3.44Å; L1439-I1456 VanDerWaalsContact CD2-CD1 3.44Å; L1439-I1456 HydrophobicContact CD2-CG1 3.92Å
1440S86.1Confident86.5Confident91 Ų9150 Ų5064%0.63630%0.295SS*.Hα-helixtrans-70.6-22.8175.478.70000112.9A1436 N1437 L1438 T1442A1436-S1440 PolarHBondContact O-N 2.81Å; N1437-S1440 WeakPolarHBondContact O-CB 3.34Å; N1437-S1440 PolarHBondContact O-N 3.49Å; N1437-S1440 PolarHBondContact O-OG 3.14Å; L1438-S1440 VanDerWaalsContact C-N 3.26Å; L1438-S1440 PolarHBondContact O-N 3.03Å; S1440-T1442 PolarHBondContact O-N 3.18Å
1441N86.2Confident85.7Confident75 Ų7553.6 Ų53.640%0.40130%0.301SS..  trans-88.393.8177.9-177.29.9000111.2L1438 L1439 N1443 G1444 Y1447L1438-N1441 PolarHBondContact O-N 2.79Å; L1439-N1441 VanDerWaalsContact C-N 3.25Å; L1439-N1441 PolarHBondContact O-N 2.99Å; N1441-N1443 PolarHBondContact O-N 3.29Å; N1441-N1443 VanDerWaalsContact O-N 3.13Å; N1441-N1443 PolarHBondContact OD1-N 3.21Å; N1441-G1444 PolarHBondContact O-N 3.19Å; N1441-G1444 PolarHBondContact OD1-N 2.95Å; N1441-Y1447 WeakPolarHBondContact O-CB 3.28Å
1442T83.1Confident84.3Confident90 Ų9057.9 Ų57.955%0.55233%0.325SS*.THydrogen-bonded Turntrans-62.7-18.7-179.450.80000114.9S1440 Y1447S1440-T1442 PolarHBondContact O-N 3.18Å; T1442-Y1447 HydrophobicContact CG2-CE1 4.36Å; T1442-Y1447 HydrophobicContact CG2-CE2 3.99Å; T1442-Y1447 WeakPolarHBondContact O-CD1 3.37Å
1443N83.9Confident82.8Confident155 Ų15556.7 Ų56.783%0.82932%0.323SS*.THydrogen-bonded Turntrans-95.91.8175.3-68.1-28.7000112.9N1441N1441-N1443 PolarHBondContact O-N 3.29Å; N1441-N1443 VanDerWaalsContact O-N 3.13Å; N1441-N1443 PolarHBondContact OD1-N 3.21Å
1444G84Confident81.3Confident4 Ų455.8 Ų55.84%0.04133%0.33CS..SBendtrans-76.4154.8-176.800000113.8E1431 N1441 F1446 Y1447 S1448E1431-G1444 WeakPolarHBondContact OE1-CA 3.36Å; N1441-G1444 PolarHBondContact O-N 3.19Å; N1441-G1444 PolarHBondContact OD1-N 2.95Å; G1444-F1446 VanDerWaalsContact C-N 3.34Å; G1444-Y1447 PolarHBondContact O-N 2.76Å; G1444-S1448 PolarHBondContact O-N 3.11Å; G1444-S1448 VanDerWaalsContact O-N 3.11Å
1445I84.3Confident79.9Confident52 Ų5257.1 Ų57.127%0.26734%0.335SS..Hα-helixtrans-65-43.2175.8-60.9176.4000109.2V1423 D1425 A1430 E1431 Y1447 S1448 M1449V1423-I1445 HydrophobicContact CG1-CB 4.01Å; V1423-I1445 HydrophobicContact CG1-CG2 3.73Å; D1425-I1445 HydrophobicContact CB-CD1 4.08Å; A1430-I1445 HydrophobicContact CB-CD1 3.83Å; E1431-I1445 PolarHBondContact OE1-N 2.93Å; I1445-Y1447 PolarHBondContact O-N 3.04Å; I1445-S1448 PolarHBondContact O-N 3.39Å; I1445-S1448 PolarHBondContact O-OG 3.48Å; I1445-M1449 HydrophobicContact CG2-CE 3.56Å; I1445-M1449 HydrophobicContact CG2-SD 4.27Å; I1445-M1449 WeakPolarHBondContact O-CG 3.31Å; I1445-M1449 PolarHBondContact O-N 3.21Å
1446F85.5Confident78.5Confident0 Ų061.7 Ų61.70%036%0.357CS..Hα-helixtrans-61.2-43177.4-172.4-109.8000112.6V1250 L1412 M1416 I1421 V1423 E1431 L1438 L1439 G1444 S1448 M1449 A1450V1250-F1446 HydrophobicContact CG2-CD2 4.07Å; V1250-F1446 HydrophobicContact CG2-CE2 4.4Å; L1412-F1446 HydrophobicContact CD2-CE2 4.07Å; M1416-F1446 HydrophobicContact SD-CE1 4.48Å; M1416-F1446 HydrophobicContact SD-CZ 3.93Å; I1421-F1446 HydrophobicContact CD1-CE1 4.06Å; I1421-F1446 HydrophobicContact CD1-CE2 3.67Å; I1421-F1446 HydrophobicContact CD1-CZ 3.35Å; I1421-F1446 HydrophobicContact CG2-CD2 4.07Å; I1421-F1446 HydrophobicContact CG2-CE2 3.93Å; V1423-F1446 HydrophobicContact CG2-CB 3.91Å; V1423-F1446 HydrophobicContact CG2-CD2 4.33Å; E1431-F1446 WeakPolarHBondContact OE2-CB 3.34Å; E1431-F1446 PolarHBondContact OE2-N 2.89Å; E1431-F1446 VanDerWaalsContact OE2-N 3.15Å; L1438-F1446 HydrophobicContact CB-CB 4.05Å; L1438-F1446 HydrophobicContact CB-CD1 3.51Å; L1438-F1446 HydrophobicContact CB-CE1 4.28Å; L1438-F1446 HydrophobicContact CB-CG 4.01Å; L1438-F1446 HydrophobicContact CD1-CB 4.23Å; L1438-F1446 HydrophobicContact CD1-CD1 4.17Å; L1438-F1446 HydrophobicContact CD1-CG 4.07Å; L1439-F1446 HydrophobicContact CD2-CD1 3.98Å; L1439-F1446 HydrophobicContact CD2-CE1 3.69Å; L1439-F1446 HydrophobicContact CG-CD1 4.2Å; L1439-F1446 HydrophobicContact CG-CE1 3.84Å; G1444-F1446 VanDerWaalsContact C-N 3.34Å; F1446-S1448 VanDerWaalsContact C-N 3.32Å; F1446-S1448 PolarHBondContact O-N 3.32Å; F1446-M1449 PolarHBondContact O-N 3.48Å; F1446-A1450 WeakPolarHBondContact O-CB 3.37Å; F1446-A1450 PolarHBondContact O-N 3.02Å
1447Y85.1Confident78Confident52 Ų5261.2 Ų61.220%0.20435%0.345CS..Hα-helixtrans-59.4-43.7176.6-178.2-89.6000111.6L1439 N1441 T1442 G1444 I1445 M1449 A1450 K1451 I1456L1439-Y1447 VanDerWaalsContact O-CD2 3.27Å; L1439-Y1447 WeakPolarHBondContact O-CD2 3.47Å; N1441-Y1447 WeakPolarHBondContact O-CB 3.28Å; T1442-Y1447 HydrophobicContact CG2-CE1 4.36Å; T1442-Y1447 HydrophobicContact CG2-CE2 3.99Å; T1442-Y1447 WeakPolarHBondContact O-CD1 3.37Å; G1444-Y1447 PolarHBondContact O-N 2.76Å; I1445-Y1447 PolarHBondContact O-N 3.04Å; Y1447-M1449 PolarHBondContact O-N 2.68Å; Y1447-A1450 PolarHBondContact O-N 3.22Å; Y1447-K1451 HydrophobicContact CE1-CD 4.46Å; Y1447-K1451 WeakPolarHBondContact O-CB 3.23Å; Y1447-K1451 PolarHBondContact O-N 3.03Å; Y1447-I1456 HydrophobicContact CD2-CD1 3.33Å; Y1447-I1456 HydrophobicContact CE2-CD1 3.37Å; Y1447-I1456 HydrophobicContact CE2-CG2 4.12Å; Y1447-I1456 HydrophobicContact CG-CD1 4.06Å
1448S78.5Confident77.4Confident49 Ų4960.2 Ų60.234%0.34334%0.341SS..Hα-helixtrans-61-44.4175.672.20000112.3G1444 I1445 F1446 A1450 K1451 D1452G1444-S1448 PolarHBondContact O-N 3.11Å; G1444-S1448 VanDerWaalsContact O-N 3.11Å; I1445-S1448 PolarHBondContact O-N 3.39Å; I1445-S1448 PolarHBondContact O-OG 3.48Å; F1446-S1448 VanDerWaalsContact C-N 3.32Å; F1446-S1448 PolarHBondContact O-N 3.32Å; S1448-A1450 PolarHBondContact O-N 3.26Å; S1448-K1451 PolarHBondContact O-N 3.1Å; S1448-D1452 WeakPolarHBondContact O-CB 3.33Å; S1448-D1452 PolarHBondContact O-N 3.37Å
1449M80Confident76.8Confident34 Ų3462.9 Ų62.917%0.16736%0.356CS..Hα-helixtrans-65.3-40.5177.4-67.6179.1179.200112.1R1252 L1412 I1445 F1446 Y1447 D1452 A1453R1252-M1449 HydrophobicContact CG-CE 4.32Å; L1412-M1449 HydrophobicContact CD1-CB 3.97Å; L1412-M1449 WeakPolarHBondContact CD1-O 3.02Å; I1445-M1449 HydrophobicContact CG2-CE 3.56Å; I1445-M1449 HydrophobicContact CG2-SD 4.27Å; I1445-M1449 WeakPolarHBondContact O-CG 3.31Å; I1445-M1449 PolarHBondContact O-N 3.21Å; F1446-M1449 PolarHBondContact O-N 3.48Å; Y1447-M1449 PolarHBondContact O-N 2.68Å; M1449-D1452 PolarHBondContact O-N 2.92Å; M1449-A1453 VanDerWaalsContact O-CB 3.26Å; M1449-A1453 WeakPolarHBondContact O-CB 3.27Å; M1449-A1453 PolarHBondContact O-N 2.96Å
1450A76.6Confident76.2Confident0 Ų063.9 Ų63.90%036%0.364CS..Hα-helixtrans-67.3-37.717800000111.9L1412 L1439 F1446 Y1447 S1448 A1453 G1454 L1455 I1456L1412-A1450 HydrophobicContact CD1-CB 4.37Å; L1439-A1450 HydrophobicContact CD2-CB 3.74Å; F1446-A1450 WeakPolarHBondContact O-CB 3.37Å; F1446-A1450 PolarHBondContact O-N 3.02Å; Y1447-A1450 PolarHBondContact O-N 3.22Å; S1448-A1450 PolarHBondContact O-N 3.26Å; A1450-A1453 CarbonylContact O-C 3.56Å; A1450-A1453 PolarHBondContact O-N 3.36Å; A1450-G1454 PolarHBondContact O-N 3.17Å; A1450-G1454 VanDerWaalsContact O-N 3.15Å; A1450-L1455 HydrophobicContact CB-CB 4.34Å; A1450-L1455 PolarHBondContact O-N 3.21Å; A1450-I1456 HydrophobicContact CB-CD1 3.78Å; A1450-I1456 HydrophobicContact CB-CG1 3.99Å
1451K72.2Confident75.6Confident128 Ų12862.3 Ų62.356%0.55735%0.346SS*.Hα-helixtrans-65.4-45.5171.9-175.9-177.4179.3-177.40111.9Y1447 S1448 A1453 G1454Y1447-K1451 HydrophobicContact CE1-CD 4.46Å; Y1447-K1451 WeakPolarHBondContact O-CB 3.23Å; Y1447-K1451 PolarHBondContact O-N 3.03Å; S1448-K1451 PolarHBondContact O-N 3.1Å; K1451-A1453 PolarHBondContact O-N 3.1Å; K1451-G1454 PolarHBondContact O-N 3.32Å
1452D62Low74.9Confident119 Ų11961.4 Ų61.464%0.63634%0.343SS*.Hα-helixtrans-62.6-32.4176.9-68.4-15.1000111.4S1448 M1449 G1454S1448-D1452 WeakPolarHBondContact O-CB 3.33Å; S1448-D1452 PolarHBondContact O-N 3.37Å; M1449-D1452 PolarHBondContact O-N 2.92Å; D1452-G1454 VanDerWaalsContact C-N 3.33Å
1453A64Low74.3Confident21 Ų2159.4 Ų59.417%0.17433%0.328CS..THydrogen-bonded Turntrans-87.712.6173.200000113.8I783 L1412 M1449 A1450 K1451 L1455I783-A1453 HydrophobicContact CD1-CB 4.26Å; I783-A1453 WeakPolarHBondContact CD1-O 3.27Å; I783-A1453 VanDerWaalsContact CG2-C 3.42Å; I783-A1453 VanDerWaalsContact CG2-O 3.29Å; I783-A1453 WeakPolarHBondContact CG2-O 3.44Å; L1412-A1453 HydrophobicContact CD1-CB 3.76Å; M1449-A1453 VanDerWaalsContact O-CB 3.26Å; M1449-A1453 WeakPolarHBondContact O-CB 3.27Å; M1449-A1453 PolarHBondContact O-N 2.96Å; A1450-A1453 CarbonylContact O-C 3.56Å; A1450-A1453 PolarHBondContact O-N 3.36Å; K1451-A1453 PolarHBondContact O-N 3.1Å; A1453-L1455 HydrophobicContact CB-CG 4.3Å; A1453-L1455 PolarHBondContact O-N 3.38Å; A1453-L1455 VanDerWaalsContact O-N 3.09Å
1454G61.6Low73.5Confident49 Ų4952 Ų5251%0.50529%0.289SS..THydrogen-bonded Turntrans57.227.1176.200000116.1A1450 K1451 D1452A1450-G1454 PolarHBondContact O-N 3.17Å; A1450-G1454 VanDerWaalsContact O-N 3.15Å; K1451-G1454 PolarHBondContact O-N 3.32Å; D1452-G1454 VanDerWaalsContact C-N 3.33Å
1455L63.5Low72.7Confident58 Ų5856 Ų5630%0.30431%0.31SS..  trans-88.5-9.7176.7-60.4-179.2000113.4L1412 N1413 M1416 A1450 A1453L1412-L1455 HydrophobicContact CB-CD1 3.57Å; L1412-L1455 HydrophobicContact CD1-CD1 4.19Å; N1413-L1455 WeakPolarHBondContact OD1-CD2 3.33Å; M1416-L1455 HydrophobicContact CG-CD1 4.43Å; M1416-L1455 HydrophobicContact SD-CD1 4.23Å; A1450-L1455 HydrophobicContact CB-CB 4.34Å; A1450-L1455 PolarHBondContact O-N 3.21Å; A1453-L1455 HydrophobicContact CB-CG 4.3Å; A1453-L1455 PolarHBondContact O-N 3.38Å; A1453-L1455 VanDerWaalsContact O-N 3.09Å
1456I58.7Low71.6Confident110 Ų11056.4 Ų56.456%0.56431%0.314SS*.  trans-134.40177.2-42.8175.1000107.1L1439 Y1447 A1450L1439-I1456 HydrophobicContact CD2-CD1 3.44Å; L1439-I1456 VanDerWaalsContact CD2-CD1 3.44Å; L1439-I1456 HydrophobicContact CD2-CG1 3.92Å; Y1447-I1456 HydrophobicContact CD2-CD1 3.33Å; Y1447-I1456 HydrophobicContact CE2-CD1 3.37Å; Y1447-I1456 HydrophobicContact CE2-CG2 4.12Å; Y1447-I1456 HydrophobicContact CG-CD1 4.06Å; A1450-I1456 HydrophobicContact CB-CD1 3.78Å; A1450-I1456 HydrophobicContact CB-CG1 3.99Å

Retrieved 1,456 of 1,456 residues in 2434.9 ms (Link to these results)

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