A0A0D9RYI3_CHLSB Loading...

Monocyte to macrophage differentiation associated 2

AlphaFold DB , UniProt , Accession A0A0D9RYI3, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene MMD2, Length 246 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
1M37.9Very low58.9Low232 Ų232138.8 Ų138.8100%1.14369%0.686SS**  078.30-174.1176.8177.800108.8
2F41.3Very low61.1Low211 Ų211132.2 Ų132.293%0.92566%0.659SS**  trans-144.876174.4-81.8-80.7000107.3P4F2-P4 WeakPolarHBondContact O-CD 3.36Å
3A42.7Very low62.9Low94 Ų94134.4 Ų134.478%0.77766%0.662SS**  trans-81.6115160.300000105.7R5A3-R5 PolarHBondContact O-N 3.26Å
4P46.8Very low64.4Low100 Ų100132.4 Ų132.465%0.64965%0.645SS**  trans-64.7133.7-179.526.8-31.3000108.8F2 L6F2-P4 WeakPolarHBondContact O-CD 3.36Å; P4-L6 HydrophobicContact CB-CB 4.45Å; P4-L6 HydrophobicContact CB-CD1 3.81Å; P4-L6 HydrophobicContact CB-CG 4.24Å; P4-L6 HydrophobicContact CG-CD1 4.08Å; P4-L6 PolarHBondContact O-N 3.43Å
5R55.9Low65.6Low249 Ų249126.2 Ų126.294%0.9462%0.624SS**  trans-67.948.6166.5-68.4-178.8-174.2171.72.4110.5A3 L7A3-R5 PolarHBondContact O-N 3.26Å; R5-L7 PolarHBondContact O-N 3.32Å; R5-L7 VanDerWaalsContact O-N 3.14Å
6L51.9Low66.7Low140 Ų140129.7 Ų129.773%0.73363%0.628SS**  trans-8298.6175.6-89.9155.2000107P4P4-L6 HydrophobicContact CB-CB 4.45Å; P4-L6 HydrophobicContact CB-CD1 3.81Å; P4-L6 HydrophobicContact CB-CG 4.24Å; P4-L6 HydrophobicContact CG-CD1 4.08Å; P4-L6 PolarHBondContact O-N 3.43Å
7L63.9Low67.9Low120 Ų120124.2 Ų124.263%0.62860%0.6SS**  trans75.977.3167.7-57.4153.9000115.9R5 F9R5-L7 PolarHBondContact O-N 3.32Å; R5-L7 VanDerWaalsContact O-N 3.14Å; L7-F9 VanDerWaalsContact C-N 3.32Å; L7-F9 HydrophobicContact CB-CD2 4.09Å; L7-F9 HydrophobicContact CB-CE1 4.46Å; L7-F9 HydrophobicContact CB-CE2 3.59Å; L7-F9 HydrophobicContact CB-CZ 3.8Å; L7-F9 HydrophobicContact CD1-CE2 4.35Å; L7-F9 HydrophobicContact CD1-CZ 4.07Å; L7-F9 HydrophobicContact CD2-CE1 4.21Å; L7-F9 HydrophobicContact CD2-CZ 4Å; L7-F9 HydrophobicContact CG-CE2 4.4Å; L7-F9 HydrophobicContact CG-CZ 4.17Å; L7-F9 PolarHBondContact O-N 2.96Å; L7-F9 VanDerWaalsContact O-N 3.09Å
8D75.7Confident68.8Low63 Ų63118.6 Ų118.634%0.33757%0.573SS.*  trans-79.180.3163.1-171.51.3000110.1Q10 K11D8-Q10 PolarHBondContact O-N 3.17Å; D8-Q10 VanDerWaalsContact O-N 3.09Å; D8-Q10 WeakPolarHBondContact OD1-CB 3.37Å; D8-Q10 PolarHBondContact OD1-N 3.23Å; D8-K11 PolarHBondContact O-N 3.49Å; D8-K11 VanDerWaalsContact O-N 3.1Å; D8-K11 VanDerWaalsContact OD2-CD 3.23Å; D8-K11 WeakPolarHBondContact OD2-CD 3.2Å; D8-K11 WeakPolarHBondContact OD2-CE 3.25Å; D8-K11 IonicContact OD2-NZ 2.97Å; D8-K11 PolarHBondContact OD2-NZ 3.25Å
9F77.5Confident69.6Low41 Ų41112.5 Ų112.518%0.1854%0.544CS..G310 helixtrans-58.9-21.5-178.4-71.4-72.5000113.5L7 K11 T12 M18 I208L7-F9 VanDerWaalsContact C-N 3.32Å; L7-F9 HydrophobicContact CB-CD2 4.09Å; L7-F9 HydrophobicContact CB-CE1 4.46Å; L7-F9 HydrophobicContact CB-CE2 3.59Å; L7-F9 HydrophobicContact CB-CZ 3.8Å; L7-F9 HydrophobicContact CD1-CE2 4.35Å; L7-F9 HydrophobicContact CD1-CZ 4.07Å; L7-F9 HydrophobicContact CD2-CE1 4.21Å; L7-F9 HydrophobicContact CD2-CZ 4Å; L7-F9 HydrophobicContact CG-CE2 4.4Å; L7-F9 HydrophobicContact CG-CZ 4.17Å; L7-F9 PolarHBondContact O-N 2.96Å; L7-F9 VanDerWaalsContact O-N 3.09Å; F9-K11 PolarHBondContact O-N 2.87Å; F9-T12 PolarHBondContact O-N 3.45Å; F9-T12 VanDerWaalsContact O-N 3.16Å; F9-T12 PolarHBondContact O-OG1 2.63Å; F9-M18 HydrophobicContact CB-CG 4.46Å; F9-M18 HydrophobicContact CB-SD 3.91Å; F9-I208 HydrophobicContact CE2-CG1 4.37Å
10Q74.3Confident70Confident102 Ų102115.2 Ų115.248%0.47756%0.555SS.*G310 helixtrans-66.4-20.8178.3-60-171-54.400112.8D8 A15 M18D8-Q10 PolarHBondContact O-N 3.17Å; D8-Q10 VanDerWaalsContact O-N 3.09Å; D8-Q10 WeakPolarHBondContact OD1-CB 3.37Å; D8-Q10 PolarHBondContact OD1-N 3.23Å; Q10-A15 WeakPolarHBondContact O-CB 3.34Å; Q10-M18 HydrophobicContact CG-CE 4.23Å
11K79.4Confident70.3Confident175 Ų175117.7 Ų117.776%0.76156%0.559SS**G310 helixtrans-98.59.3177.7-64.8179.1-175.8153.70113.5D8 F9D8-K11 PolarHBondContact O-N 3.49Å; D8-K11 VanDerWaalsContact O-N 3.1Å; D8-K11 VanDerWaalsContact OD2-CD 3.23Å; D8-K11 WeakPolarHBondContact OD2-CD 3.2Å; D8-K11 WeakPolarHBondContact OD2-CE 3.25Å; D8-K11 IonicContact OD2-NZ 2.97Å; D8-K11 PolarHBondContact OD2-NZ 3.25Å; F9-K11 PolarHBondContact O-N 2.87Å
12T85.6Confident71.8Confident59 Ų59108.7 Ų108.736%0.36252%0.517SS..SBendtrans-112.7170.1-177.772.30000111.1F9 Y14 A15F9-T12 PolarHBondContact O-N 3.45Å; F9-T12 VanDerWaalsContact O-N 3.16Å; F9-T12 PolarHBondContact O-OG1 2.63Å; T12-Y14 PolarHBondContact O-N 2.95Å; T12-Y14 WeakPolarHBondContact OG1-CD2 3.37Å; T12-Y14 PolarHBondContact OG1-N 3.41Å; T12-A15 VanDerWaalsContact O-CB 3.31Å; T12-A15 WeakPolarHBondContact O-CB 3.42Å; T12-A15 PolarHBondContact O-N 2.97Å
13K84.8Confident73.2Confident161 Ų161101.4 Ų101.470%0.749%0.491SS*.G310 helixtrans-56.9-16.8172.169.1-178.7-178.7-176.40114.1A15K13-A15 VanDerWaalsContact C-N 3.31Å
14Y83.8Confident74.4Confident106 Ų106101.1 Ų101.142%0.41649%0.488SS..G310 helixtrans-82.2-6.7179.2-55.8-73000113.4T12 R16 F17T12-Y14 PolarHBondContact O-N 2.95Å; T12-Y14 WeakPolarHBondContact OG1-CD2 3.37Å; T12-Y14 PolarHBondContact OG1-N 3.41Å; Y14-R16 PolarHBondContact O-N 3.15Å; Y14-R16 VanDerWaalsContact O-N 3.12Å; Y14-F17 HydrophobicContact CD1-CD2 4.47Å; Y14-F17 PolarHBondContact O-N 3.22Å
15A82.6Confident75.3Confident40 Ų40103.2 Ų103.233%0.33149%0.489SS..G310 helixtrans-54.9-32178.700000113.3Q10 T12 K13 F17 M18Q10-A15 WeakPolarHBondContact O-CB 3.34Å; T12-A15 VanDerWaalsContact O-CB 3.31Å; T12-A15 WeakPolarHBondContact O-CB 3.42Å; T12-A15 PolarHBondContact O-N 2.97Å; K13-A15 VanDerWaalsContact C-N 3.31Å; A15-F17 PolarHBondContact O-N 2.88Å; A15-M18 WeakPolarHBondContact O-CB 3.42Å; A15-M18 PolarHBondContact O-N 3.32Å; A15-M18 VanDerWaalsContact O-N 3.12Å
16R83.6Confident75.9Confident182 Ų18297.1 Ų97.169%0.68747%0.469SS*.G310 helixtrans-64.1-18.717771-179.9-178.1-178.8-0.5114.7Y14Y14-R16 PolarHBondContact O-N 3.15Å; Y14-R16 VanDerWaalsContact O-N 3.12Å
17F85.8Confident76.8Confident36 Ų3693.8 Ų93.816%0.15845%0.447CS..G310 helixtrans-102.71.1178.6-56.8-63000112.6Y14 A15 Y33 P209 F210Y14-F17 HydrophobicContact CD1-CD2 4.47Å; Y14-F17 PolarHBondContact O-N 3.22Å; A15-F17 PolarHBondContact O-N 2.88Å; F17-Y33 HydrophobicContact CD1-CD1 4.49Å; F17-Y33 AromaticContact CD1-CD2 3.73Å; F17-Y33 HydrophobicContact CD1-CD2 3.73Å; F17-Y33 HydrophobicContact CD1-CE2 4.18Å; F17-Y33 AromaticContact CD1-CG 3.91Å; F17-Y33 HydrophobicContact CD1-CG 3.91Å; F17-Y33 HydrophobicContact CE1-CD1 4.18Å; F17-Y33 HydrophobicContact CE1-CD2 4.04Å; F17-Y33 HydrophobicContact CE1-CE1 4.31Å; F17-Y33 HydrophobicContact CE1-CE2 4.16Å; F17-Y33 HydrophobicContact CE1-CG 4.05Å; F17-P209 HydrophobicContact CB-CB 3.97Å; F17-F210 HydrophobicContact CB-CD2 4.37Å; F17-F210 HydrophobicContact CB-CE2 3.64Å; F17-F210 HydrophobicContact CB-CZ 4.12Å; F17-F210 AromaticContact CD1-CE2 3.95Å; F17-F210 HydrophobicContact CD1-CE2 3.95Å; F17-F210 AromaticContact CD1-CZ 3.82Å; F17-F210 HydrophobicContact CD1-CZ 3.82Å; F17-F210 HydrophobicContact CD2-CE2 4.33Å; F17-F210 HydrophobicContact CE1-CZ 4.45Å; F17-F210 AromaticContact CG-CE2 3.74Å; F17-F210 HydrophobicContact CG-CE2 3.74Å; F17-F210 HydrophobicContact CG-CZ 4.09Å
18M84.8Confident77.4Confident24 Ų2489.1 Ų89.112%0.11842%0.421CS..PPolyproline II helixtrans-79.7132.6-178.9-74.9-75-61.800110.8F9 Q10 A15 G206 P209F9-M18 HydrophobicContact CB-CG 4.46Å; F9-M18 HydrophobicContact CB-SD 3.91Å; Q10-M18 HydrophobicContact CG-CE 4.23Å; A15-M18 WeakPolarHBondContact O-CB 3.42Å; A15-M18 PolarHBondContact O-N 3.32Å; A15-M18 VanDerWaalsContact O-N 3.12Å; M18-G206 WeakPolarHBondContact CE-O 3.44Å; M18-P209 HydrophobicContact SD-CB 4.18Å; M18-P209 VanDerWaalsContact SD-CD 3.59Å; M18-P209 HydrophobicContact SD-CG 4.37Å
19N83.8Confident77.7Confident3 Ų393.3 Ų93.32%0.01644%0.439CS..PPolyproline II helixtrans-74.9158.9165.7-46.2-69.9000110.7Y28 P30 T31 E34N19-Y28 HydrophobicContact CB-CE2 3.73Å; N19-Y28 PolarHBondContact ND2-OH 3.12Å; N19-Y28 PolarHBondContact OD1-OH 2.86Å; N19-P30 WeakPolarHBondContact OD1-CA 3.33Å; N19-T31 WeakPolarHBondContact OD1-CG2 3.46Å; N19-T31 PolarHBondContact OD1-N 2.75Å; N19-E34 PolarHBondContact ND2-OE2 2.68Å
20H78.7Confident78.1Confident165 Ų16592.4 Ų92.476%0.76444%0.437SS*.PPolyproline II helixtrans-61.7141.5168.6-67.287.9000110V22H20-V22 PolarHBondContact O-N 2.79Å
21R75.6Confident78.8Confident168 Ų16889.2 Ų89.263%0.63443%0.425SS*.PPolyproline II helixtrans-59.2131.1174.9-75.2-172.9-178-177.33.8109.6P23R21-P23 VanDerWaalsContact O-CD 3.28Å; R21-P23 WeakPolarHBondContact O-CD 3.3Å
22V69.4Low79.3Confident43 Ų4386.5 Ų86.526%0.26142%0.415SS..PPolyproline II helixtrans-87.3116.7-176.4-170.70000110.3H20 K26 Y28H20-V22 PolarHBondContact O-N 2.79Å; V22-K26 WeakPolarHBondContact CG1-O 3.26Å; V22-Y28 HydrophobicContact CG2-CD2 3.59Å; V22-Y28 HydrophobicContact CG2-CG 4.3Å
23P70.8Confident79.5Confident58 Ų5890 Ų9038%0.37742%0.422SS..PPolyproline II helixtrans-61.8151.4168.4-22.233.7000111.6R21 H25 K26R21-P23 VanDerWaalsContact O-CD 3.28Å; R21-P23 WeakPolarHBondContact O-CD 3.3Å; P23-H25 PolarHBondContact O-N 2.71Å; P23-K26 HydrophobicContact CB-CB 4.32Å; P23-K26 HydrophobicContact CB-CG 4.24Å; P23-K26 HydrophobicContact CG-CB 4.34Å; P23-K26 HydrophobicContact CG-CD 4.11Å; P23-K26 HydrophobicContact CG-CG 4.27Å; P23-K26 PolarHBondContact O-N 3.31Å
24A67.2Low79.9Confident88 Ų8882.4 Ų82.473%0.72739%0.389SS*.THydrogen-bonded Turntrans-56.2-28.4-175.100000114.8
25H65.5Low80.2Confident145 Ų14578 Ų7867%0.67137%0.372SS*.THydrogen-bonded Turntrans-102.85.5-177.464.3-88.7000113.8P23P23-H25 PolarHBondContact O-N 2.71Å
26K69.8Low80.7Confident120 Ų12077.8 Ų77.852%0.52237%0.371SS..SBendtrans-114.6154179.1-66.1-164.1-178.7-178.30111.2V22 P23 K158V22-K26 WeakPolarHBondContact CG1-O 3.26Å; P23-K26 HydrophobicContact CB-CB 4.32Å; P23-K26 HydrophobicContact CB-CG 4.24Å; P23-K26 HydrophobicContact CG-CB 4.34Å; P23-K26 HydrophobicContact CG-CD 4.11Å; P23-K26 HydrophobicContact CG-CG 4.27Å; P23-K26 PolarHBondContact O-N 3.31Å; K26-K158 PolarHBondContact O-NZ 3.4Å
27R70.8Confident81.3Confident70 Ų7070.2 Ų70.226%0.26435%0.347SS..  trans-71.2146174.6-172.1165166.7-132.6-13.3110.9S90 E100 E155R27-S90 PolarHBondContact NH2-OG 2.86Å; R27-E100 IonicContact CZ-OE1 2.65Å; R27-E100 VanDerWaalsContact NH1-CD 3.26Å; R27-E100 IonicContact NH1-OE1 2.79Å; R27-E100 PolarHBondContact NH1-OE1 3.44Å; R27-E100 IonicContact NH1-OE2 2.74Å; R27-E100 IonicContact NH2-OE1 3.11Å; R27-E100 PolarHBondContact NH2-OE1 3.47Å; R27-E155 WeakPolarHBondContact CA-OE1 3.38Å; R27-E155 VanDerWaalsContact CB-OE2 3.31Å; R27-E155 WeakPolarHBondContact CB-OE2 3.19Å; R27-E155 WeakPolarHBondContact CD-OE2 3.45Å; R27-E155 VanDerWaalsContact CG-OE2 3.3Å; R27-E155 WeakPolarHBondContact CG-OE2 3.41Å
28Y77.1Confident81.7Confident23 Ų2368.5 Ų68.59%0.0934%0.34CS..  trans-66131.8170.2170-124.3000110.2N19 V22 P30 E34 D205 H212N19-Y28 HydrophobicContact CB-CE2 3.73Å; N19-Y28 PolarHBondContact ND2-OH 3.12Å; N19-Y28 PolarHBondContact OD1-OH 2.86Å; V22-Y28 HydrophobicContact CG2-CD2 3.59Å; V22-Y28 HydrophobicContact CG2-CG 4.3Å; Y28-P30 HydrophobicContact CD1-CG 4.11Å; Y28-P30 HydrophobicContact CE1-CB 4.01Å; Y28-P30 HydrophobicContact CE1-CG 3.61Å; Y28-E34 PolarHBondContact OH-OE1 3.2Å; Y28-E34 PolarHBondContact OH-OE2 3.3Å; Y28-D205 HydrophobicContact CD2-CB 3.89Å; Y28-D205 HydrophobicContact CE2-CB 4.07Å; Y28-D205 HydrophobicContact CG-CB 4.23Å; Y28-H212 HydrophobicContact CE1-CB 3.85Å; Y28-H212 AromaticContact CE1-CG 3.94Å
29Q81.9Confident82.2Confident150 Ų15068 Ų6870%0.70134%0.338SS*.  trans-118.5103.5177.8-70.8-169.7-9.300109.2
30P84.8Confident82.8Confident23 Ų2370.7 Ų70.715%0.14936%0.361CS..  trans-71152.1180-6.219.5000112N19 Y28 E34 H35N19-P30 WeakPolarHBondContact OD1-CA 3.33Å; Y28-P30 HydrophobicContact CD1-CG 4.11Å; Y28-P30 HydrophobicContact CE1-CB 4.01Å; Y28-P30 HydrophobicContact CE1-CG 3.61Å; P30-E34 HydrophobicContact CB-CB 4.06Å; P30-E34 HydrophobicContact CB-CG 4.27Å; P30-H35 WeakPolarHBondContact CD-NE2 3.26Å; P30-H35 WeakPolarHBondContact CG-NE2 3.24Å; P30-H35 PolarHBondContact O-CD2 3.09Å
31T89.1Confident83.7Confident34 Ų3463.9 Ų63.921%0.20933%0.331CS..  trans-69.4163.316460.80000111.2N19 Y33 E34 H35N19-T31 WeakPolarHBondContact OD1-CG2 3.46Å; N19-T31 PolarHBondContact OD1-N 2.75Å; T31-Y33 PolarHBondContact O-N 3.24Å; T31-E34 PolarHBondContact O-N 2.93Å; T31-E34 PolarHBondContact OG1-N 3.35Å; T31-H35 PolarHBondContact O-CD2 3.16Å; T31-H35 PolarHBondContact O-N 3.39Å
32E89.3Confident84.7Confident119 Ų11956 Ų5656%0.55630%0.302SS*.Hα-helixtrans-51.8-41172.8-71.2-70.7122.700112.5A36 W91E32-A36 PolarHBondContact O-N 3.24Å; E32-A36 VanDerWaalsContact O-N 3.12Å; E32-W91 VanDerWaalsContact CD-NE1 3.31Å; E32-W91 PolarHBondContact OE1-NE1 2.89Å; E32-W91 PolarHBondContact OE2-NE1 2.93Å
33Y91.3Very high86Confident133 Ų13355.9 Ų55.952%0.52231%0.305SS..Hα-helixtrans-64.2-43.7177.6-60.6-70.8000111.7F17 T31 A36 A37F17-Y33 HydrophobicContact CD1-CD1 4.49Å; F17-Y33 AromaticContact CD1-CD2 3.73Å; F17-Y33 HydrophobicContact CD1-CD2 3.73Å; F17-Y33 HydrophobicContact CD1-CE2 4.18Å; F17-Y33 AromaticContact CD1-CG 3.91Å; F17-Y33 HydrophobicContact CD1-CG 3.91Å; F17-Y33 HydrophobicContact CE1-CD1 4.18Å; F17-Y33 HydrophobicContact CE1-CD2 4.04Å; F17-Y33 HydrophobicContact CE1-CE1 4.31Å; F17-Y33 HydrophobicContact CE1-CE2 4.16Å; F17-Y33 HydrophobicContact CE1-CG 4.05Å; T31-Y33 PolarHBondContact O-N 3.24Å; Y33-A36 PolarHBondContact O-N 3.35Å; Y33-A37 PolarHBondContact O-N 3.19Å
34E91.8Very high87.3Confident0 Ų059.7 Ų59.70%032%0.316CS..Hα-helixtrans-75-32.7-178.5-169.8154.516400112.5N19 Y28 P30 T31 A36 A37 N38 F210 H212N19-E34 PolarHBondContact ND2-OE2 2.68Å; Y28-E34 PolarHBondContact OH-OE1 3.2Å; Y28-E34 PolarHBondContact OH-OE2 3.3Å; P30-E34 HydrophobicContact CB-CB 4.06Å; P30-E34 HydrophobicContact CB-CG 4.27Å; T31-E34 PolarHBondContact O-N 2.93Å; T31-E34 PolarHBondContact OG1-N 3.35Å; E34-A36 VanDerWaalsContact C-N 3.35Å; E34-A36 PolarHBondContact O-N 3.14Å; E34-A37 PolarHBondContact O-N 3.44Å; E34-N38 VanDerWaalsContact O-CB 3.29Å; E34-N38 WeakPolarHBondContact O-CB 3.46Å; E34-N38 PolarHBondContact O-N 3.24Å; E34-N38 PolarHBondContact O-ND2 3.47Å; E34-N38 PolarHBondContact O-OD1 2.87Å; E34-F210 HydrophobicContact CB-CD1 4.13Å; E34-F210 HydrophobicContact CB-CE1 4.38Å; E34-F210 VanDerWaalsContact CD-CA 3.43Å; E34-F210 HydrophobicContact CG-CD1 4.24Å; E34-F210 VanDerWaalsContact OE2-CA 3.23Å; E34-F210 WeakPolarHBondContact OE2-CA 3.42Å; E34-F210 PolarHBondContact OE2-N 3.01Å; E34-F210 VanDerWaalsContact OE2-N 3.07Å; E34-H212 WeakPolarHBondContact OE1-CB 3.45Å; E34-H212 PolarHBondContact OE1-N 2.9Å; E34-H212 VanDerWaalsContact OE1-N 3.07Å
35H91.3Very high88.7Confident13 Ų1358.5 Ų58.56%0.0629%0.293CS..Hα-helixtrans-56.6-49167.8-90.4-68.3000111.7P30 T31 A37 N38 C39 S90 W91P30-H35 WeakPolarHBondContact CD-NE2 3.26Å; P30-H35 WeakPolarHBondContact CG-NE2 3.24Å; P30-H35 PolarHBondContact O-CD2 3.09Å; T31-H35 PolarHBondContact O-CD2 3.16Å; T31-H35 PolarHBondContact O-N 3.39Å; H35-A37 VanDerWaalsContact C-N 3.33Å; H35-A37 PolarHBondContact O-N 3.03Å; H35-N38 PolarHBondContact O-N 3.15Å; H35-C39 PolarHBondContact O-N 2.83Å; H35-C39 PolarHBondContact O-SG 3.13Å; H35-C39 VanDerWaalsContact O-SG 3.37Å; H35-S90 PolarHBondContact CE1-OG 3.29Å; H35-W91 HydrophobicContact CB-CB 3.92Å; H35-W91 HydrophobicContact CB-CD2 4.04Å; H35-W91 HydrophobicContact CB-CG 3.71Å
36A93.5Very high90.3Very high36 Ų3653.4 Ų53.430%0.29827%0.27SS..Hα-helixtrans-61.2-42.7177.700000111.8E32 Y33 E34 A40 W91E32-A36 PolarHBondContact O-N 3.24Å; E32-A36 VanDerWaalsContact O-N 3.12Å; Y33-A36 PolarHBondContact O-N 3.35Å; E34-A36 VanDerWaalsContact C-N 3.35Å; E34-A36 PolarHBondContact O-N 3.14Å; A36-A40 VanDerWaalsContact O-CB 3.31Å; A36-A40 WeakPolarHBondContact O-CB 3.24Å; A36-A40 PolarHBondContact O-N 3.47Å; A36-W91 HydrophobicContact CB-CH2 3.79Å; A36-W91 HydrophobicContact CB-CZ2 4.27Å; A36-W91 HydrophobicContact CB-CZ3 4.1Å
37A95.5Very high91.7Very high24 Ų2453.4 Ų53.420%0.19827%0.274CS..Hα-helixtrans-63.6-48.8176.800000111.8Y33 E34 H35 C39 A40 T41 F210 A213Y33-A37 PolarHBondContact O-N 3.19Å; E34-A37 PolarHBondContact O-N 3.44Å; H35-A37 VanDerWaalsContact C-N 3.33Å; H35-A37 PolarHBondContact O-N 3.03Å; A37-C39 VanDerWaalsContact C-N 3.3Å; A37-C39 PolarHBondContact O-N 2.94Å; A37-A40 PolarHBondContact O-N 2.68Å; A37-A40 VanDerWaalsContact O-N 3.17Å; A37-T41 WeakPolarHBondContact O-CB 3.4Å; A37-T41 WeakPolarHBondContact O-CG2 3.14Å; A37-T41 PolarHBondContact O-N 2.84Å; A37-T41 PolarHBondContact O-OG1 3.44Å; A37-T41 VanDerWaalsContact O-OG1 3.07Å; A37-F210 HydrophobicContact CB-CD1 3.85Å; A37-F210 HydrophobicContact CB-CE1 4.11Å; A37-A213 HydrophobicContact CB-CB 3.63Å
38N94.8Very high93Very high0 Ų052.4 Ų52.40%028%0.277CS..Hα-helixtrans-57.1-43.3178.6-71.1-16.8000111.9E34 H35 T41 H87 A213 H216E34-N38 VanDerWaalsContact O-CB 3.29Å; E34-N38 WeakPolarHBondContact O-CB 3.46Å; E34-N38 PolarHBondContact O-N 3.24Å; E34-N38 PolarHBondContact O-ND2 3.47Å; E34-N38 PolarHBondContact O-OD1 2.87Å; H35-N38 PolarHBondContact O-N 3.15Å; N38-T41 PolarHBondContact O-OG1 3.45Å; N38-T41 VanDerWaalsContact O-OG1 3.09Å; N38-H87 HydrophobicContact CB-CB 4.31Å; N38-H87 PolarHBondContact ND2-CE1 2.74Å; N38-A213 WeakPolarHBondContact OD1-CA 3.28Å; N38-A213 WeakPolarHBondContact OD1-CB 3.23Å; N38-A213 PolarHBondContact OD1-N 2.87Å; N38-H216 PolarHBondContact O-ND1 3.14Å
39C94.2Very high94Very high12 Ų1251.5 Ų51.58%0.08127%0.274CS..Hα-helixtrans-63.1-53.2173.9-730000111.3H35 A37 T41 H42 A43 H87 T88H35-C39 PolarHBondContact O-N 2.83Å; H35-C39 PolarHBondContact O-SG 3.13Å; H35-C39 VanDerWaalsContact O-SG 3.37Å; A37-C39 VanDerWaalsContact C-N 3.3Å; A37-C39 PolarHBondContact O-N 2.94Å; C39-T41 VanDerWaalsContact C-N 3.35Å; C39-T41 PolarHBondContact O-N 2.88Å; C39-H42 PolarHBondContact O-N 2.88Å; C39-A43 WeakPolarHBondContact O-CB 3.45Å; C39-A43 PolarHBondContact O-N 3.47Å; C39-H87 VanDerWaalsContact SG-C 3.51Å; C39-H87 VanDerWaalsContact SG-CB 3.58Å; C39-T88 PolarHBondContact SG-N 3.47Å; C39-T88 VanDerWaalsContact SG-N 3.4Å; C39-T88 PolarHBondContact SG-OG1 3.47Å; C39-T88 VanDerWaalsContact SG-OG1 3.38Å
40A96.3Very high94.7Very high61 Ų6148.3 Ų48.350%0.50426%0.261SS..Hα-helixtrans-62.1-41.7-174.400000112.4A36 A37 H42 F44A36-A40 VanDerWaalsContact O-CB 3.31Å; A36-A40 WeakPolarHBondContact O-CB 3.24Å; A36-A40 PolarHBondContact O-N 3.47Å; A37-A40 PolarHBondContact O-N 2.68Å; A37-A40 VanDerWaalsContact O-N 3.17Å; A40-H42 VanDerWaalsContact C-N 3.31Å; A40-H42 PolarHBondContact O-N 3.03Å; A40-F44 WeakPolarHBondContact O-CB 3.5Å; A40-F44 PolarHBondContact O-N 3.49Å
41T97.1Very high95.4Very high22 Ų2252.5 Ų52.514%0.13528%0.282CS..Hα-helixtrans-64.3-33.5-176.554.80000112.6A37 N38 C39 A213 H216 L217A37-T41 WeakPolarHBondContact O-CB 3.4Å; A37-T41 WeakPolarHBondContact O-CG2 3.14Å; A37-T41 PolarHBondContact O-N 2.84Å; A37-T41 PolarHBondContact O-OG1 3.44Å; A37-T41 VanDerWaalsContact O-OG1 3.07Å; N38-T41 PolarHBondContact O-OG1 3.45Å; N38-T41 VanDerWaalsContact O-OG1 3.09Å; C39-T41 VanDerWaalsContact C-N 3.35Å; C39-T41 PolarHBondContact O-N 2.88Å; T41-A213 HydrophobicContact CG2-CB 4.43Å; T41-H216 VanDerWaalsContact OG1-CB 3.24Å; T41-H216 WeakPolarHBondContact OG1-CB 3.29Å; T41-H216 PolarHBondContact OG1-ND1 3.46Å; T41-L217 HydrophobicContact CG2-CD2 3.87Å; T41-L217 HydrophobicContact CG2-CG 4.04Å
42H97.1Very high95.8Very high2 Ų251.2 Ų51.21%0.00928%0.275CS..Hα-helixtrans-95.7-36.1177.4-79.4179.7000113.3C39 A40 F44 W45 F80 S83 H216C39-H42 PolarHBondContact O-N 2.88Å; A40-H42 VanDerWaalsContact C-N 3.31Å; A40-H42 PolarHBondContact O-N 3.03Å; H42-F44 PolarHBondContact O-N 3.39Å; H42-W45 PolarHBondContact O-N 2.96Å; H42-F80 HydrophobicContact CB-CD1 4.19Å; H42-F80 AromaticContact CD2-CD1 3.85Å; H42-F80 AromaticContact CD2-CE1 3.99Å; H42-S83 PolarHBondContact CE1-OG 2.9Å; H42-S83 WeakPolarHBondContact ND1-CB 3.43Å; H42-S83 PolarHBondContact ND1-OG 3.39Å; H42-H216 AromaticContact CD2-CG 3.75Å; H42-H216 AromaticContact CE1-CD2 3.17Å; H42-H216 PolarHBondContact CE1-CD2 2.87Å; H42-H216 AromaticContact CE1-CE1 3.75Å; H42-H216 AromaticContact CE1-CG 3.36Å; H42-H216 AromaticContact CE1-ND1 3.72Å; H42-H216 AromaticContact CE1-NE2 3.46Å; H42-H216 PolarHBondContact CE1-NE2 3.43Å; H42-H216 AromaticContact CG-ND1 3.88Å; H42-H216 AromaticContact ND1-CD2 3.86Å; H42-H216 AromaticContact ND1-CE1 3.66Å; H42-H216 AromaticContact ND1-CG 3.8Å; H42-H216 AromaticContact ND1-ND1 3.68Å; H42-H216 AromaticContact ND1-NE2 3.78Å; H42-H216 WeakPolarHBondContact NE2-CA 3.47Å; H42-H216 VanDerWaalsContact NE2-CB 3.26Å; H42-H216 WeakPolarHBondContact NE2-CB 3.26Å; H42-H216 AromaticContact NE2-CD2 3.48Å; H42-H216 PolarHBondContact NE2-CD2 2.79Å; H42-H216 AromaticContact NE2-CG 3.3Å; H42-H216 VanDerWaalsContact NE2-CG 3.3Å; H42-H216 AromaticContact NE2-ND1 3.92Å
43A97.3Very high96.2Very high40 Ų4046.3 Ų46.333%0.33125%0.253SS..Hα-helixtrans-57.8-37.4179.100000111.9C39 W45 I46 T84C39-A43 WeakPolarHBondContact O-CB 3.45Å; C39-A43 PolarHBondContact O-N 3.47Å; A43-W45 PolarHBondContact O-N 3.4Å; A43-I46 PolarHBondContact O-N 2.88Å; A43-T84 WeakPolarHBondContact CA-OG1 3.23Å; A43-T84 HydrophobicContact CB-CG2 3.67Å; A43-T84 PolarHBondContact N-OG1 2.81Å; A43-T84 VanDerWaalsContact N-OG1 3.16Å
44F97.4Very high96.5Very high139 Ų13942.3 Ų42.361%0.6125%0.245SC*.Hα-helixtrans-55.2-37.2175.9175.8-98.4000112.8A40 H42 P48A40-F44 WeakPolarHBondContact O-CB 3.5Å; A40-F44 PolarHBondContact O-N 3.49Å; H42-F44 PolarHBondContact O-N 3.39Å; F44-P48 WeakPolarHBondContact O-CD 3.39Å
45W97.9Very high96.7Very high63 Ų6345.1 Ų45.124%0.23926%0.26CS..Hα-helixtrans-85.8-6.6-175-66.8101.5000114.6H42 A43 P48 S49 F80 A220H42-W45 PolarHBondContact O-N 2.96Å; A43-W45 PolarHBondContact O-N 3.4Å; W45-P48 HydrophobicContact CE3-CB 4.03Å; W45-P48 HydrophobicContact CE3-CG 4.29Å; W45-S49 VanDerWaalsContact O-CB 3.29Å; W45-S49 WeakPolarHBondContact O-CB 3.11Å; W45-S49 PolarHBondContact O-N 3Å; W45-S49 PolarHBondContact O-OG 2.78Å; W45-S49 VanDerWaalsContact O-OG 3.09Å; W45-F80 HydrophobicContact CB-CD1 3.76Å; W45-F80 HydrophobicContact CB-CD2 3.73Å; W45-F80 HydrophobicContact CB-CE1 3.72Å; W45-F80 HydrophobicContact CB-CE2 3.68Å; W45-F80 HydrophobicContact CB-CG 3.77Å; W45-F80 HydrophobicContact CB-CZ 3.67Å; W45-F80 HydrophobicContact CG-CE1 4.08Å; W45-F80 HydrophobicContact CG-CE2 4.46Å; W45-F80 HydrophobicContact CG-CZ 4.06Å; W45-A220 HydrophobicContact CD2-CB 4.21Å; W45-A220 HydrophobicContact CG-CB 4.14Å; W45-A220 HydrophobicContact CZ2-CB 4.29Å; W45-A220 VanDerWaalsContact NE1-CB 3.29Å
46I98.3Very high97Very high37 Ų3744.5 Ų44.519%0.1926%0.257CS..Hα-helixtrans-61.5-47.8177.6-64.2174.4000111.2A43 S49 I50 F80 V81 T84A43-I46 PolarHBondContact O-N 2.88Å; I46-S49 WeakPolarHBondContact CA-OG 3.22Å; I46-S49 PolarHBondContact O-N 3.3Å; I46-S49 PolarHBondContact O-OG 2.82Å; I46-I50 HydrophobicContact CG2-CD1 3.94Å; I46-I50 VanDerWaalsContact O-CG1 3.29Å; I46-I50 WeakPolarHBondContact O-CG1 3.49Å; I46-I50 PolarHBondContact O-N 2.92Å; I46-I50 VanDerWaalsContact O-N 3.07Å; I46-F80 HydrophobicContact CG1-CB 3.89Å; I46-V81 HydrophobicContact CD1-CG2 4.16Å; I46-V81 HydrophobicContact CG1-CG2 4.09Å; I46-V81 HydrophobicContact CG2-CG2 3.87Å; I46-T84 HydrophobicContact CD1-CG2 4.09Å
47I98.1Very high97.2Very high120 Ų12047.7 Ų47.762%0.61526%0.262SS*.Hα-helixtrans-66.8-51.1-179.8-64.1171.4000110.5S49 I50 L51I47-S49 VanDerWaalsContact C-N 3.28Å; I47-S49 PolarHBondContact O-N 3.35Å; I47-I50 PolarHBondContact O-N 3.02Å; I47-L51 HydrophobicContact CG2-CD1 3.97Å; I47-L51 HydrophobicContact CG2-CG 4.35Å; I47-L51 WeakPolarHBondContact O-CG 3.47Å; I47-L51 PolarHBondContact O-N 3.02Å
48P98.2Very high97.2Very high50 Ų5054.2 Ų54.233%0.32529%0.286SS..Hα-helixtrans-53.3-39.4172.1-28.935.3000114.4F44 W45 G52F44-P48 WeakPolarHBondContact O-CD 3.39Å; W45-P48 HydrophobicContact CE3-CB 4.03Å; W45-P48 HydrophobicContact CE3-CG 4.29Å; P48-G52 PolarHBondContact O-N 3.17Å
49S98.1Very high97.2Very high3 Ų356.9 Ų56.92%0.02130%0.3CS..Hα-helixtrans-68.3-38.9179.362.90000112.5W45 I46 I47 G52 S53 C77W45-S49 VanDerWaalsContact O-CB 3.29Å; W45-S49 WeakPolarHBondContact O-CB 3.11Å; W45-S49 PolarHBondContact O-N 3Å; W45-S49 PolarHBondContact O-OG 2.78Å; W45-S49 VanDerWaalsContact O-OG 3.09Å; I46-S49 WeakPolarHBondContact CA-OG 3.22Å; I46-S49 PolarHBondContact O-N 3.3Å; I46-S49 PolarHBondContact O-OG 2.82Å; I47-S49 VanDerWaalsContact C-N 3.28Å; I47-S49 PolarHBondContact O-N 3.35Å; S49-G52 PolarHBondContact O-N 2.85Å; S49-S53 VanDerWaalsContact O-CB 3.26Å; S49-S53 WeakPolarHBondContact O-CB 3.14Å; S49-S53 PolarHBondContact O-N 3.17Å; S49-C77 VanDerWaalsContact C-SG 3.59Å
50I98.4Very high97.3Very high83 Ų8357.4 Ų57.443%0.42630%0.304SS..Hα-helixtrans-65.1-49.5175.7-68165.7000109.7I46 I47 G52 S53 S54I46-I50 HydrophobicContact CG2-CD1 3.94Å; I46-I50 VanDerWaalsContact O-CG1 3.29Å; I46-I50 WeakPolarHBondContact O-CG1 3.49Å; I46-I50 PolarHBondContact O-N 2.92Å; I46-I50 VanDerWaalsContact O-N 3.07Å; I47-I50 PolarHBondContact O-N 3.02Å; I50-G52 VanDerWaalsContact C-N 3.31Å; I50-G52 PolarHBondContact O-N 3.37Å; I50-S53 WeakPolarHBondContact O-CB 3.34Å; I50-S53 PolarHBondContact O-N 3.25Å; I50-S54 PolarHBondContact O-N 2.88Å; I50-S54 PolarHBondContact O-OG 3.42Å; I50-S54 VanDerWaalsContact O-OG 3.12Å
51L98.3Very high97.2Very high112 Ų11261 Ų6159%0.58632%0.315SS*.Hα-helixtrans-60.4-42.5177.7-66.8176.6000111.6I47 S54 N55I47-L51 HydrophobicContact CG2-CD1 3.97Å; I47-L51 HydrophobicContact CG2-CG 4.35Å; I47-L51 WeakPolarHBondContact O-CG 3.47Å; I47-L51 PolarHBondContact O-N 3.02Å; L51-S54 PolarHBondContact O-N 3.5Å; L51-N55 VanDerWaalsContact O-CB 3.31Å; L51-N55 WeakPolarHBondContact O-CB 3.23Å; L51-N55 PolarHBondContact O-N 3.48Å
52G97.6Very high96.9Very high6 Ų663.7 Ų63.76%0.06233%0.329CS..Hα-helixtrans-63.9-42.2177.400000112.6P48 S49 I50 N55 L56 Y227P48-G52 PolarHBondContact O-N 3.17Å; S49-G52 PolarHBondContact O-N 2.85Å; I50-G52 VanDerWaalsContact C-N 3.31Å; I50-G52 PolarHBondContact O-N 3.37Å; G52-N55 PolarHBondContact O-N 2.75Å; G52-L56 PolarHBondContact O-N 3.46Å; G52-L56 VanDerWaalsContact O-N 3.12Å; G52-Y227 VanDerWaalsContact CA-CZ 3.42Å; G52-Y227 WeakPolarHBondContact CA-OH 3.3Å; G52-Y227 VanDerWaalsContact O-CE2 3.3Å; G52-Y227 WeakPolarHBondContact O-CE2 3.31Å; G52-Y227 PolarHBondContact O-OH 3.38Å
53S97.3Very high96.9Very high16 Ų1669.8 Ų69.811%0.11236%0.361CS..Hα-helixtrans-61.5-48173.5-179.90000111.7S49 I50 N55 L56 Y57 G73S49-S53 VanDerWaalsContact O-CB 3.26Å; S49-S53 WeakPolarHBondContact O-CB 3.14Å; S49-S53 PolarHBondContact O-N 3.17Å; I50-S53 WeakPolarHBondContact O-CB 3.34Å; I50-S53 PolarHBondContact O-N 3.25Å; S53-N55 VanDerWaalsContact C-N 3.29Å; S53-N55 PolarHBondContact O-N 3.33Å; S53-L56 PolarHBondContact O-N 2.91Å; S53-Y57 PolarHBondContact O-N 3.16Å; S53-Y57 VanDerWaalsContact O-N 3.16Å; S53-G73 VanDerWaalsContact OG-CA 3.23Å; S53-G73 WeakPolarHBondContact OG-CA 3.02Å
54S97.6Very high96.7Very high49 Ų4974.3 Ų74.334%0.34337%0.37SS..Hα-helixtrans-61.7-39.9177.6-60.90000111.4I50 L51 Y57 F58I50-S54 PolarHBondContact O-N 2.88Å; I50-S54 PolarHBondContact O-OG 3.42Å; I50-S54 VanDerWaalsContact O-OG 3.12Å; L51-S54 PolarHBondContact O-N 3.5Å; S54-Y57 PolarHBondContact O-N 3.09Å; S54-F58 WeakPolarHBondContact O-CD2 3.3Å; S54-F58 PolarHBondContact O-N 3.46Å
55N97.5Very high96.7Very high60 Ų6069.4 Ų69.432%0.32135%0.349SS..Hα-helixtrans-61.8-43.3177.5-178.160.5000112.4L51 G52 S53 Y57 F58 L59 Y227 W231L51-N55 VanDerWaalsContact O-CB 3.31Å; L51-N55 WeakPolarHBondContact O-CB 3.23Å; L51-N55 PolarHBondContact O-N 3.48Å; G52-N55 PolarHBondContact O-N 2.75Å; S53-N55 VanDerWaalsContact C-N 3.29Å; S53-N55 PolarHBondContact O-N 3.33Å; N55-Y57 VanDerWaalsContact C-N 3.33Å; N55-Y57 PolarHBondContact O-N 3.28Å; N55-F58 PolarHBondContact O-N 2.86Å; N55-L59 WeakPolarHBondContact O-CB 3.44Å; N55-L59 VanDerWaalsContact O-CG 3.28Å; N55-L59 WeakPolarHBondContact O-CG 3.34Å; N55-L59 PolarHBondContact O-N 3.42Å; N55-L59 VanDerWaalsContact O-N 3.11Å; N55-Y227 PolarHBondContact ND2-OH 3.17Å; N55-W231 PolarHBondContact ND2-NE1 3.42Å; N55-W231 VanDerWaalsContact ND2-NE1 3.17Å
56L97.3Very high96.6Very high0 Ų068.1 Ų68.10%035%0.348CS..Hα-helixtrans-62.5-40.9174.8-66.1179.3000112G52 S53 L59 S60 A69 Y72 Y227 I230 W231 Y235G52-L56 PolarHBondContact O-N 3.46Å; G52-L56 VanDerWaalsContact O-N 3.12Å; S53-L56 PolarHBondContact O-N 2.91Å; L56-L59 PolarHBondContact O-N 3.13Å; L56-S60 PolarHBondContact O-N 2.87Å; L56-S60 VanDerWaalsContact O-N 3.15Å; L56-A69 HydrophobicContact CB-CB 3.74Å; L56-Y72 HydrophobicContact CD1-CD1 3.73Å; L56-Y72 HydrophobicContact CD1-CE1 4.31Å; L56-Y227 HydrophobicContact CD1-CD2 4.21Å; L56-Y227 HydrophobicContact CD1-CE2 3.75Å; L56-Y227 HydrophobicContact CD2-CE2 4.21Å; L56-Y227 HydrophobicContact CG-CE2 3.78Å; L56-I230 HydrophobicContact CD1-CG2 4.14Å; L56-I230 HydrophobicContact CD2-CG2 4.3Å; L56-W231 HydrophobicContact CD2-CB 3.88Å; L56-W231 HydrophobicContact CD2-CG 4.47Å; L56-Y235 HydrophobicContact CB-CD1 4.44Å; L56-Y235 HydrophobicContact CB-CE1 4.31Å; L56-Y235 HydrophobicContact CD2-CD1 4.3Å; L56-Y235 HydrophobicContact CD2-CD2 3.69Å; L56-Y235 HydrophobicContact CD2-CE2 4.14Å; L56-Y235 HydrophobicContact CD2-CG 3.78Å; L56-Y235 WeakPolarHBondContact O-CD1 3.32Å
57Y96.9Very high96.6Very high102 Ų10270.2 Ų70.240%0.436%0.359SS..Hα-helixtrans-65.8-36.6177.3174.3-96000113S53 S54 N55 L59 S60 T66 W70S53-Y57 PolarHBondContact O-N 3.16Å; S53-Y57 VanDerWaalsContact O-N 3.16Å; S54-Y57 PolarHBondContact O-N 3.09Å; N55-Y57 VanDerWaalsContact C-N 3.33Å; N55-Y57 PolarHBondContact O-N 3.28Å; Y57-L59 VanDerWaalsContact C-N 3.3Å; Y57-S60 PolarHBondContact O-OG 3.5Å; Y57-T66 HydrophobicContact CD2-CG2 4.08Å; Y57-T66 HydrophobicContact CE2-CG2 3.84Å; Y57-W70 AromaticContact CD2-CE2 3.96Å; Y57-W70 HydrophobicContact CD2-CZ2 4.3Å; Y57-W70 AromaticContact CD2-NE1 3.4Å; Y57-W70 HydrophobicContact CE2-CZ2 4.26Å; Y57-W70 AromaticContact CE2-NE1 3.4Å
58F96.1Very high96.6Very high161 Ų16164.5 Ų64.571%0.70633%0.33SS*.Hα-helixtrans-76.5-19.4176.8-70.6-56000113.5S54 N55S54-F58 WeakPolarHBondContact O-CD2 3.3Å; S54-F58 PolarHBondContact O-N 3.46Å; N55-F58 PolarHBondContact O-N 2.86Å
59L95.3Very high96.6Very high56 Ų5662.1 Ų62.129%0.29331%0.314SS..Hα-helixtrans-89.2-13.6176.6-71.9170.9000113.4N55 L56 Y57 D61 W231 Y235 P237N55-L59 WeakPolarHBondContact O-CB 3.44Å; N55-L59 VanDerWaalsContact O-CG 3.28Å; N55-L59 WeakPolarHBondContact O-CG 3.34Å; N55-L59 PolarHBondContact O-N 3.42Å; N55-L59 VanDerWaalsContact O-N 3.11Å; L56-L59 PolarHBondContact O-N 3.13Å; Y57-L59 VanDerWaalsContact C-N 3.3Å; L59-D61 PolarHBondContact O-N 3.42Å; L59-W231 VanDerWaalsContact CD1-CD1 3.49Å; L59-W231 VanDerWaalsContact CD1-NE1 3.34Å; L59-Y235 HydrophobicContact CB-CD1 4.37Å; L59-P237 HydrophobicContact CD2-CG 4.46Å
60S95.2Very high96.6Very high24 Ų2468 Ų6817%0.16834%0.336CS..  trans-69129.2-179.555.90000111.7L56 Y57 E65 T66L56-S60 PolarHBondContact O-N 2.87Å; L56-S60 VanDerWaalsContact O-N 3.15Å; Y57-S60 PolarHBondContact O-OG 3.5Å; S60-E65 WeakPolarHBondContact CA-OE2 3.38Å; S60-T66 PolarHBondContact OG-OG1 2.88Å; S60-T66 VanDerWaalsContact OG-OG1 3.14Å
61D93.4Very high96.6Very high135 Ų13566.2 Ų66.272%0.72233%0.327SS*.  trans-98.1-29.2178.5-161.932.1000111.8L59 E65L59-D61 PolarHBondContact O-N 3.42Å; D61-E65 PolarHBondContact N-OE2 2.53Å
62D92.8Very high96.6Very high79 Ų7960.9 Ų60.942%0.42230%0.299SS..SBendtrans-124.7172.8-179.575.837000114.6W64 E65 T66D62-W64 VanDerWaalsContact C-N 3.31Å; D62-W64 PolarHBondContact O-N 2.97Å; D62-W64 WeakPolarHBondContact OD1-CA 3.49Å; D62-W64 WeakPolarHBondContact OD1-CB 3.49Å; D62-W64 PolarHBondContact OD1-N 3.3Å; D62-E65 PolarHBondContact O-N 3.35Å; D62-E65 PolarHBondContact OD1-N 3.43Å; D62-T66 WeakPolarHBondContact O-CB 3.45Å; D62-T66 PolarHBondContact O-N 2.7Å; D62-T66 PolarHBondContact O-OG1 2.99Å
63D95.6Very high96.6Very high130 Ų13060.6 Ų60.670%0.69530%0.296SS*.Hα-helixtrans-63-35.3-179.2-71.1-26000112.5T66 I67D63-T66 PolarHBondContact O-N 3.16Å; D63-I67 WeakPolarHBondContact O-CB 3.38Å; D63-I67 WeakPolarHBondContact O-CD1 3.43Å; D63-I67 WeakPolarHBondContact O-CG1 3.28Å; D63-I67 PolarHBondContact O-N 3.2Å
64W94.3Very high96.7Very high136 Ų13665 Ų6552%0.51532%0.318SS..Hα-helixtrans-72.1-40.4-179.3-82.6111.9000111.8D62 T66 S68 N124 L125D62-W64 VanDerWaalsContact C-N 3.31Å; D62-W64 PolarHBondContact O-N 2.97Å; D62-W64 WeakPolarHBondContact OD1-CA 3.49Å; D62-W64 WeakPolarHBondContact OD1-CB 3.49Å; D62-W64 PolarHBondContact OD1-N 3.3Å; W64-T66 VanDerWaalsContact C-N 3.35Å; W64-S68 WeakPolarHBondContact O-CB 3.35Å; W64-S68 PolarHBondContact O-N 3.45Å; W64-S68 PolarHBondContact O-OG 2.95Å; W64-N124 HydrophobicContact CE3-CB 4.06Å; W64-N124 HydrophobicContact CZ3-CB 4.46Å; W64-L125 HydrophobicContact CB-CD2 3.95Å
65E96Very high96.7Very high35 Ų3563.1 Ų63.116%0.16431%0.306CS..Hα-helixtrans-62.9-43.7171.6-72.2-173.4163.800110.3S60 D61 D62 S68 A69 L125 Y235S60-E65 WeakPolarHBondContact CA-OE2 3.38Å; D61-E65 PolarHBondContact N-OE2 2.53Å; D62-E65 PolarHBondContact O-N 3.35Å; D62-E65 PolarHBondContact OD1-N 3.43Å; E65-S68 PolarHBondContact O-N 3.4Å; E65-A69 VanDerWaalsContact O-CB 3.31Å; E65-A69 WeakPolarHBondContact O-CB 3.41Å; E65-A69 PolarHBondContact O-N 3.28Å; E65-L125 HydrophobicContact CB-CD2 4.35Å; E65-L125 HydrophobicContact CG-CD1 4.13Å; E65-L125 HydrophobicContact CG-CD2 3.72Å; E65-Y235 HydrophobicContact CB-CD1 4.47Å; E65-Y235 HydrophobicContact CB-CE1 3.82Å; E65-Y235 HydrophobicContact CG-CE1 4.39Å; E65-Y235 WeakPolarHBondContact O-CE1 3.38Å; E65-Y235 PolarHBondContact O-OH 2.89Å
66T97.3Very high96.8Very high36 Ų3660.7 Ų60.722%0.22129%0.293CS..Hα-helixtrans-61.5-50177.7-58.80000111.3Y57 S60 D62 D63 W64 S68 A69 W70Y57-T66 HydrophobicContact CD2-CG2 4.08Å; Y57-T66 HydrophobicContact CE2-CG2 3.84Å; S60-T66 PolarHBondContact OG-OG1 2.88Å; S60-T66 VanDerWaalsContact OG-OG1 3.14Å; D62-T66 WeakPolarHBondContact O-CB 3.45Å; D62-T66 PolarHBondContact O-N 2.7Å; D62-T66 PolarHBondContact O-OG1 2.99Å; D63-T66 PolarHBondContact O-N 3.16Å; W64-T66 VanDerWaalsContact C-N 3.35Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 3.25Å; T66-A69 PolarHBondContact O-N 3.19Å; T66-W70 VanDerWaalsContact O-CD1 3.23Å; T66-W70 PolarHBondContact O-N 3.41Å
67I97.6Very high96.8Very high82 Ų8261.7 Ų61.742%0.42130%0.299SS..Hα-helixtrans-61.3-43.7178.6-71.6164.6000110.6D63 A69 W70 I71D63-I67 WeakPolarHBondContact O-CB 3.38Å; D63-I67 WeakPolarHBondContact O-CD1 3.43Å; D63-I67 WeakPolarHBondContact O-CG1 3.28Å; D63-I67 PolarHBondContact O-N 3.2Å; I67-A69 VanDerWaalsContact C-N 3.31Å; I67-A69 PolarHBondContact O-N 3.19Å; I67-W70 PolarHBondContact O-N 3.4Å; I67-I71 HydrophobicContact CG2-CD1 3.68Å; I67-I71 HydrophobicContact CG2-CG1 4.38Å; I67-I71 VanDerWaalsContact O-CG1 3.31Å; I67-I71 WeakPolarHBondContact O-CG1 3.46Å; I67-I71 PolarHBondContact O-N 3.28Å
68S97.8Very high96.9Very high0 Ų057.8 Ų57.80%029%0.29CS..Hα-helixtrans-66-35.3179.9-61.10000112W64 E65 T66 Y72 N124 Y235W64-S68 WeakPolarHBondContact O-CB 3.35Å; W64-S68 PolarHBondContact O-N 3.45Å; W64-S68 PolarHBondContact O-OG 2.95Å; E65-S68 PolarHBondContact O-N 3.4Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 3.25Å; S68-Y72 VanDerWaalsContact O-CB 3.25Å; S68-Y72 WeakPolarHBondContact O-CB 3.35Å; S68-Y72 PolarHBondContact O-N 3.37Å; S68-N124 VanDerWaalsContact OG-CB 3.27Å; S68-N124 WeakPolarHBondContact OG-CB 3.4Å; S68-N124 PolarHBondContact OG-ND2 3.09Å; S68-N124 VanDerWaalsContact OG-ND2 3.09Å; S68-Y235 VanDerWaalsContact CB-OH 3.24Å; S68-Y235 WeakPolarHBondContact CB-OH 3.4Å
69A97.9Very high97Very high0 Ų050.5 Ų50.50%026%0.259CS..Hα-helixtrans-66.8-43.3176.800000110.7L56 E65 T66 I67 G73 Y235L56-A69 HydrophobicContact CB-CB 3.74Å; E65-A69 VanDerWaalsContact O-CB 3.31Å; E65-A69 WeakPolarHBondContact O-CB 3.41Å; E65-A69 PolarHBondContact O-N 3.28Å; T66-A69 PolarHBondContact O-N 3.19Å; I67-A69 VanDerWaalsContact C-N 3.31Å; I67-A69 PolarHBondContact O-N 3.19Å; A69-G73 WeakPolarHBondContact O-CA 3.44Å; A69-G73 PolarHBondContact O-N 3.39Å; A69-Y235 WeakPolarHBondContact CA-OH 3.34Å; A69-Y235 HydrophobicContact CB-CE1 4.01Å; A69-Y235 PolarHBondContact N-OH 3.48Å
70W98.3Very high97.1Very high125 Ų12548 Ų4847%0.47325%0.245SC..Hα-helixtrans-63.3-49.2175-83.5110.3000112.5Y57 T66 I67 G73 L74Y57-W70 AromaticContact CD2-CE2 3.96Å; Y57-W70 HydrophobicContact CD2-CZ2 4.3Å; Y57-W70 AromaticContact CD2-NE1 3.4Å; Y57-W70 HydrophobicContact CE2-CZ2 4.26Å; Y57-W70 AromaticContact CE2-NE1 3.4Å; T66-W70 VanDerWaalsContact O-CD1 3.23Å; T66-W70 PolarHBondContact O-N 3.41Å; I67-W70 PolarHBondContact O-N 3.4Å; W70-G73 PolarHBondContact O-N 2.83Å; W70-L74 HydrophobicContact CE3-CD1 4.19Å; W70-L74 HydrophobicContact CE3-CD2 4.44Å; W70-L74 HydrophobicContact CE3-CG 4.15Å; W70-L74 VanDerWaalsContact O-CB 3.25Å; W70-L74 WeakPolarHBondContact O-CB 3.15Å; W70-L74 WeakPolarHBondContact O-CG 3.19Å; W70-L74 PolarHBondContact O-N 2.9Å
71I98.4Very high97.3Very high47 Ų4749.6 Ų49.624%0.24125%0.254CS..Hα-helixtrans-58.9-53.3-179.8-72.7171.6000110.3I67 G75 A117 A120 W140I67-I71 HydrophobicContact CG2-CD1 3.68Å; I67-I71 HydrophobicContact CG2-CG1 4.38Å; I67-I71 VanDerWaalsContact O-CG1 3.31Å; I67-I71 WeakPolarHBondContact O-CG1 3.46Å; I67-I71 PolarHBondContact O-N 3.28Å; I71-G75 PolarHBondContact O-N 3.14Å; I71-G75 VanDerWaalsContact O-N 3.09Å; I71-A117 HydrophobicContact CG2-CB 3.97Å; I71-A117 WeakPolarHBondContact O-CB 3.47Å; I71-A120 HydrophobicContact CB-CB 4.42Å; I71-A120 HydrophobicContact CG2-CB 3.57Å; I71-W140 HydrophobicContact CD1-CZ2 4.46Å; I71-W140 HydrophobicContact CG2-CH2 3.86Å; I71-W140 HydrophobicContact CG2-CZ2 3.64Å
72Y98.6Very high97.5Very high0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-63.6-47.5-179.1179-90.2000111.3L56 S68 G75 L76 P121 A223 Y227 I230L56-Y72 HydrophobicContact CD1-CD1 3.73Å; L56-Y72 HydrophobicContact CD1-CE1 4.31Å; S68-Y72 VanDerWaalsContact O-CB 3.25Å; S68-Y72 WeakPolarHBondContact O-CB 3.35Å; S68-Y72 PolarHBondContact O-N 3.37Å; Y72-G75 PolarHBondContact O-N 3.09Å; Y72-L76 HydrophobicContact CE1-CB 4.12Å; Y72-L76 HydrophobicContact CE1-CD2 3.87Å; Y72-L76 HydrophobicContact CE1-CG 4.45Å; Y72-L76 WeakPolarHBondContact O-CB 3.28Å; Y72-L76 PolarHBondContact O-N 2.82Å; Y72-P121 HydrophobicContact CD2-CG 4.22Å; Y72-P121 HydrophobicContact CG-CG 4.2Å; Y72-A223 PolarHBondContact OH-O 3.3Å; Y72-Y227 AromaticContact CE1-CD2 3.66Å; Y72-Y227 HydrophobicContact CE1-CD2 3.66Å; Y72-Y227 VanDerWaalsContact OH-CA 3.28Å; Y72-Y227 WeakPolarHBondContact OH-CA 3.47Å; Y72-Y227 WeakPolarHBondContact OH-CB 3.33Å; Y72-Y227 PolarHBondContact OH-N 3.44Å; Y72-I230 HydrophobicContact CD2-CD1 3.46Å; Y72-I230 VanDerWaalsContact CD2-CD1 3.46Å; Y72-I230 HydrophobicContact CE1-CD1 4.45Å; Y72-I230 HydrophobicContact CE2-CD1 3.25Å; Y72-I230 HydrophobicContact CG-CD1 4.13Å
73G98.3Very high97.6Very high0 Ų041.2 Ų41.20%021%0.21CC..Hα-helixtrans-62.1-44.7-177.200000113.4S53 A69 W70 L76 C77S53-G73 VanDerWaalsContact OG-CA 3.23Å; S53-G73 WeakPolarHBondContact OG-CA 3.02Å; A69-G73 WeakPolarHBondContact O-CA 3.44Å; A69-G73 PolarHBondContact O-N 3.39Å; W70-G73 PolarHBondContact O-N 2.83Å; G73-L76 PolarHBondContact O-N 3.45Å; G73-C77 WeakPolarHBondContact O-CB 3.35Å; G73-C77 PolarHBondContact O-N 3.48Å; G73-C77 PolarHBondContact O-SG 2.84Å
74L98.3Very high97.7Very high109 Ų10935.7 Ų35.757%0.57118%0.182SC*.Hα-helixtrans-65.3-39.8174.6-70.3173.3000111.6W70 G78W70-L74 HydrophobicContact CE3-CD1 4.19Å; W70-L74 HydrophobicContact CE3-CD2 4.44Å; W70-L74 HydrophobicContact CE3-CG 4.15Å; W70-L74 VanDerWaalsContact O-CB 3.25Å; W70-L74 WeakPolarHBondContact O-CB 3.15Å; W70-L74 WeakPolarHBondContact O-CG 3.19Å; W70-L74 PolarHBondContact O-N 2.9Å; L74-G78 WeakPolarHBondContact O-CA 3.32Å; L74-G78 PolarHBondContact O-N 3.33Å
75G98.4Very high97.7Very high9 Ų932 Ų329%0.09317%0.174CC..Hα-helixtrans-60.7-48.117400000112.2I71 Y72 G78 L79 F114I71-G75 PolarHBondContact O-N 3.14Å; I71-G75 VanDerWaalsContact O-N 3.09Å; Y72-G75 PolarHBondContact O-N 3.09Å; G75-G78 PolarHBondContact O-N 2.93Å; G75-L79 PolarHBondContact O-N 3.42Å; G75-F114 VanDerWaalsContact C-CD2 3.49Å; G75-F114 WeakPolarHBondContact O-CD2 3.48Å
76L98.4Very high97.6Very high8 Ų830.7 Ų30.74%0.04217%0.168CC..Hα-helixtrans-64.8-46.8-179.4-174.369.9000111.8Y72 G73 F80 F114 A223 Y227Y72-L76 HydrophobicContact CE1-CB 4.12Å; Y72-L76 HydrophobicContact CE1-CD2 3.87Å; Y72-L76 HydrophobicContact CE1-CG 4.45Å; Y72-L76 WeakPolarHBondContact O-CB 3.28Å; Y72-L76 PolarHBondContact O-N 2.82Å; G73-L76 PolarHBondContact O-N 3.45Å; L76-F80 HydrophobicContact CD1-CD2 4.48Å; L76-F80 HydrophobicContact CD1-CE2 3.71Å; L76-F80 HydrophobicContact CD1-CZ 4.46Å; L76-F80 HydrophobicContact CG-CE2 4.13Å; L76-F80 VanDerWaalsContact O-CD2 3.28Å; L76-F80 WeakPolarHBondContact O-CD2 3.45Å; L76-F114 HydrophobicContact CB-CE2 3.96Å; L76-F114 HydrophobicContact CD1-CE2 3.65Å; L76-F114 HydrophobicContact CD1-CZ 3.7Å; L76-F114 HydrophobicContact CG-CE2 4.44Å; L76-A223 HydrophobicContact CD1-CB 3.83Å; L76-Y227 HydrophobicContact CD2-CD2 4.37Å
77C98.4Very high97.4Very high21 Ų2129.2 Ų29.214%0.14216%0.158CC..Hα-helixtrans-64-44.2176-65.30000111S49 G73 L79 F80 V81S49-C77 VanDerWaalsContact C-SG 3.59Å; G73-C77 WeakPolarHBondContact O-CB 3.35Å; G73-C77 PolarHBondContact O-N 3.48Å; G73-C77 PolarHBondContact O-SG 2.84Å; C77-L79 VanDerWaalsContact C-N 3.34Å; C77-L79 PolarHBondContact O-N 3.01Å; C77-F80 PolarHBondContact O-N 3.5Å; C77-V81 WeakPolarHBondContact O-CB 3.34Å; C77-V81 VanDerWaalsContact O-CG2 3.25Å; C77-V81 WeakPolarHBondContact O-CG2 3.34Å; C77-V81 PolarHBondContact O-N 2.9Å
78G98.1Very high97.1Very high20 Ų2028 Ų2821%0.20616%0.155CC..Hα-helixtrans-56.9-45.7178.900000112.1L74 G75 F80 V81 V82L74-G78 WeakPolarHBondContact O-CA 3.32Å; L74-G78 PolarHBondContact O-N 3.33Å; G75-G78 PolarHBondContact O-N 2.93Å; G78-F80 PolarHBondContact O-N 2.82Å; G78-V81 PolarHBondContact O-N 3.45Å; G78-V82 VanDerWaalsContact O-CB 3.23Å; G78-V82 WeakPolarHBondContact O-CB 3.34Å; G78-V82 WeakPolarHBondContact O-CG2 3.31Å; G78-V82 PolarHBondContact O-N 3.29Å
79L97.9Very high96.8Very high8 Ų829.8 Ų29.84%0.04216%0.164CC..Hα-helixtrans-51.5-55.4177177.572.4000111.7G75 C77 S83 V110 F114 V219G75-L79 PolarHBondContact O-N 3.42Å; C77-L79 VanDerWaalsContact C-N 3.34Å; C77-L79 PolarHBondContact O-N 3.01Å; L79-S83 VanDerWaalsContact O-CB 3.29Å; L79-S83 WeakPolarHBondContact O-CB 3.2Å; L79-S83 PolarHBondContact O-N 3.46Å; L79-V110 HydrophobicContact CD1-CG1 4.33Å; L79-F114 HydrophobicContact CB-CD2 4.46Å; L79-F114 HydrophobicContact CB-CG 4.27Å; L79-F114 HydrophobicContact CD1-CD1 4.27Å; L79-F114 HydrophobicContact CD2-CD1 3.66Å; L79-F114 HydrophobicContact CD2-CE1 3.58Å; L79-F114 HydrophobicContact CD2-CE2 4.48Å; L79-F114 HydrophobicContact CD2-CG 4.13Å; L79-F114 HydrophobicContact CD2-CZ 4.02Å; L79-F114 HydrophobicContact CG-CD1 4.39Å; L79-V219 HydrophobicContact CD2-CG1 3.91Å
80F98.3Very high96.3Very high4 Ų430.3 Ų30.32%0.01817%0.168CC..Hα-helixtrans-74.7-38-175.3-63.8-58000112.9H42 W45 I46 L76 C77 G78 T84 A220 A223H42-F80 HydrophobicContact CB-CD1 4.19Å; H42-F80 AromaticContact CD2-CD1 3.85Å; H42-F80 AromaticContact CD2-CE1 3.99Å; W45-F80 HydrophobicContact CB-CD1 3.76Å; W45-F80 HydrophobicContact CB-CD2 3.73Å; W45-F80 HydrophobicContact CB-CE1 3.72Å; W45-F80 HydrophobicContact CB-CE2 3.68Å; W45-F80 HydrophobicContact CB-CG 3.77Å; W45-F80 HydrophobicContact CB-CZ 3.67Å; W45-F80 HydrophobicContact CG-CE1 4.08Å; W45-F80 HydrophobicContact CG-CE2 4.46Å; W45-F80 HydrophobicContact CG-CZ 4.06Å; I46-F80 HydrophobicContact CG1-CB 3.89Å; L76-F80 HydrophobicContact CD1-CD2 4.48Å; L76-F80 HydrophobicContact CD1-CE2 3.71Å; L76-F80 HydrophobicContact CD1-CZ 4.46Å; L76-F80 HydrophobicContact CG-CE2 4.13Å; L76-F80 VanDerWaalsContact O-CD2 3.28Å; L76-F80 WeakPolarHBondContact O-CD2 3.45Å; C77-F80 PolarHBondContact O-N 3.5Å; G78-F80 PolarHBondContact O-N 2.82Å; F80-T84 VanDerWaalsContact O-CB 3.22Å; F80-T84 WeakPolarHBondContact O-CB 3.49Å; F80-T84 PolarHBondContact O-N 2.62Å; F80-T84 PolarHBondContact O-OG1 3.26Å; F80-A220 HydrophobicContact CE1-CB 4.06Å; F80-A220 HydrophobicContact CZ-CB 4.27Å; F80-A223 HydrophobicContact CZ-CB 4.15Å
81V98.3Very high95.8Very high57 Ų5727.4 Ų27.435%0.34516%0.157SC..Hα-helixtrans-67.2-52.4180170.40000110.8I46 C77 G78 S83 T84 V85I46-V81 HydrophobicContact CD1-CG2 4.16Å; I46-V81 HydrophobicContact CG1-CG2 4.09Å; I46-V81 HydrophobicContact CG2-CG2 3.87Å; C77-V81 WeakPolarHBondContact O-CB 3.34Å; C77-V81 VanDerWaalsContact O-CG2 3.25Å; C77-V81 WeakPolarHBondContact O-CG2 3.34Å; C77-V81 PolarHBondContact O-N 2.9Å; G78-V81 PolarHBondContact O-N 3.45Å; V81-S83 VanDerWaalsContact C-N 3.32Å; V81-S83 PolarHBondContact O-N 3.41Å; V81-T84 PolarHBondContact O-N 2.88Å; V81-V85 HydrophobicContact CG1-CG2 4.27Å; V81-V85 WeakPolarHBondContact O-CB 3.5Å; V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.18Å; V81-V85 PolarHBondContact O-N 3.44Å
82V97.6Very high95.2Very high36 Ų3631.2 Ų31.222%0.21817%0.172CC..Hα-helixtrans-59.8-45.8-177.4173.50000110.2G78 V85 F86 F106 D107 V110G78-V82 VanDerWaalsContact O-CB 3.23Å; G78-V82 WeakPolarHBondContact O-CB 3.34Å; G78-V82 WeakPolarHBondContact O-CG2 3.31Å; G78-V82 PolarHBondContact O-N 3.29Å; V82-V85 PolarHBondContact O-N 2.74Å; V82-F86 WeakPolarHBondContact O-CB 3.04Å; V82-F86 PolarHBondContact O-N 2.94Å; V82-F106 HydrophobicContact CG1-CB 3.83Å; V82-D107 HydrophobicContact CG1-CB 4.21Å; V82-V110 HydrophobicContact CB-CG1 4.33Å; V82-V110 HydrophobicContact CG1-CG1 4.32Å; V82-V110 HydrophobicContact CG2-CG2 4.46Å
83S96.3Very high94.5Very high2 Ų236.5 Ų36.51%0.01420%0.195CC..Hα-helixtrans-64.3-43.3179.1-170.90000113.1H42 L79 V81 V85 F86 H87 D107H42-S83 PolarHBondContact CE1-OG 2.9Å; H42-S83 WeakPolarHBondContact ND1-CB 3.43Å; H42-S83 PolarHBondContact ND1-OG 3.39Å; L79-S83 VanDerWaalsContact O-CB 3.29Å; L79-S83 WeakPolarHBondContact O-CB 3.2Å; L79-S83 PolarHBondContact O-N 3.46Å; V81-S83 VanDerWaalsContact C-N 3.32Å; V81-S83 PolarHBondContact O-N 3.41Å; S83-V85 PolarHBondContact O-N 2.88Å; S83-F86 PolarHBondContact O-N 3.43Å; S83-H87 PolarHBondContact O-CD2 3.38Å; S83-H87 VanDerWaalsContact O-CD2 3.29Å; S83-H87 PolarHBondContact O-N 2.91Å; S83-D107 WeakPolarHBondContact CA-OD1 3.49Å; S83-D107 WeakPolarHBondContact CB-OD1 3.33Å; S83-D107 PolarHBondContact OG-OD1 3.21Å
84T96.6Very high93.2Very high15 Ų1540.1 Ų40.19%0.09222%0.219CC..Hα-helixtrans-62.7-45176.7-60.50000111.5A43 I46 F80 V81 T88A43-T84 WeakPolarHBondContact CA-OG1 3.23Å; A43-T84 HydrophobicContact CB-CG2 3.67Å; A43-T84 PolarHBondContact N-OG1 2.81Å; A43-T84 VanDerWaalsContact N-OG1 3.16Å; I46-T84 HydrophobicContact CD1-CG2 4.09Å; F80-T84 VanDerWaalsContact O-CB 3.22Å; F80-T84 WeakPolarHBondContact O-CB 3.49Å; F80-T84 PolarHBondContact O-N 2.62Å; F80-T84 PolarHBondContact O-OG1 3.26Å; V81-T84 PolarHBondContact O-N 2.88Å; T84-T88 VanDerWaalsContact O-CB 3.23Å; T84-T88 WeakPolarHBondContact O-CB 3.28Å; T84-T88 PolarHBondContact O-N 3.25Å; T84-T88 PolarHBondContact O-OG1 3.34Å
85V95.8Very high92.4Very high58 Ų5841.6 Ų41.635%0.35222%0.223SC..Hα-helixtrans-63.1-45.6178.9169.70000110.4V81 V82 S83 T88 I89 L103V81-V85 HydrophobicContact CG1-CG2 4.27Å; V81-V85 WeakPolarHBondContact O-CB 3.5Å; V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.18Å; V81-V85 PolarHBondContact O-N 3.44Å; V82-V85 PolarHBondContact O-N 2.74Å; S83-V85 PolarHBondContact O-N 2.88Å; V85-T88 PolarHBondContact O-N 3.16Å; V85-I89 HydrophobicContact CG1-CD1 3.77Å; V85-I89 WeakPolarHBondContact O-CB 3.18Å; V85-I89 WeakPolarHBondContact O-CG1 3.27Å; V85-I89 PolarHBondContact O-N 2.8Å; V85-L103 HydrophobicContact CG1-CD1 4.09Å; V85-L103 HydrophobicContact CG1-CD2 4.01Å
86F93.9Very high91.7Very high8 Ų844.3 Ų44.34%0.03524%0.235CC..Hα-helixtrans-56.6-56.5176.3163.1-117.3000111.9V82 S83 T88 I89 S90 E100 L103 H104 D107V82-F86 WeakPolarHBondContact O-CB 3.04Å; V82-F86 PolarHBondContact O-N 2.94Å; S83-F86 PolarHBondContact O-N 3.43Å; F86-T88 VanDerWaalsContact C-N 3.3Å; F86-T88 PolarHBondContact O-N 3.14Å; F86-I89 PolarHBondContact O-N 2.94Å; F86-S90 WeakPolarHBondContact O-CB 3.43Å; F86-S90 PolarHBondContact O-N 2.82Å; F86-E100 HydrophobicContact CE2-CG 4.33Å; F86-L103 HydrophobicContact CB-CB 4.09Å; F86-L103 HydrophobicContact CD2-CB 4.04Å; F86-H104 HydrophobicContact CD2-CB 4Å; F86-H104 AromaticContact CE1-CD2 3.75Å; F86-H104 HydrophobicContact CE2-CB 3.48Å; F86-H104 VanDerWaalsContact CE2-CB 3.48Å; F86-H104 AromaticContact CE2-CD2 3.76Å; F86-H104 AromaticContact CE2-CG 3.9Å; F86-H104 HydrophobicContact CZ-CB 3.97Å; F86-H104 AromaticContact CZ-CD2 3.25Å; F86-H104 WeakPolarHBondContact CZ-CD2 3.39Å; F86-H104 AromaticContact CZ-CG 3.85Å; F86-D107 HydrophobicContact CB-CB 4.2Å; F86-D107 HydrophobicContact CD1-CB 4.01Å; F86-D107 HydrophobicContact CG-CB 4.15Å
87H92.3Very high91Very high4 Ų453.4 Ų53.42%0.01927%0.269CS..Hα-helixtrans-65-34.5-177.6-78.6-70000112.8N38 C39 S83 W91 H212 H216N38-H87 HydrophobicContact CB-CB 4.31Å; N38-H87 PolarHBondContact ND2-CE1 2.74Å; C39-H87 VanDerWaalsContact SG-C 3.51Å; C39-H87 VanDerWaalsContact SG-CB 3.58Å; S83-H87 PolarHBondContact O-CD2 3.38Å; S83-H87 VanDerWaalsContact O-CD2 3.29Å; S83-H87 PolarHBondContact O-N 2.91Å; H87-W91 VanDerWaalsContact O-CB 3.28Å; H87-W91 WeakPolarHBondContact O-CB 3.21Å; H87-W91 PolarHBondContact O-N 3.12Å; H87-H212 AromaticContact CE1-CD2 3.81Å; H87-H212 AromaticContact CE1-NE2 3.79Å; H87-H212 AromaticContact NE2-CD2 3.88Å; H87-H212 AromaticContact NE2-NE2 3.7Å; H87-H216 AromaticContact CD2-CE1 3.61Å; H87-H216 AromaticContact NE2-CE1 3.34Å; H87-H216 PolarHBondContact NE2-CE1 3.3Å; H87-H216 VanDerWaalsContact NE2-CE1 3.34Å; H87-H216 AromaticContact NE2-NE2 3.65Å
88T92.3Very high90.4Very high57 Ų5760.4 Ų60.435%0.3530%0.302SS..Hα-helixtrans-67.4-42.8177.7-580000111.5C39 T84 V85 F86 W91 K92C39-T88 PolarHBondContact SG-N 3.47Å; C39-T88 VanDerWaalsContact SG-N 3.4Å; C39-T88 PolarHBondContact SG-OG1 3.47Å; C39-T88 VanDerWaalsContact SG-OG1 3.38Å; T84-T88 VanDerWaalsContact O-CB 3.23Å; T84-T88 WeakPolarHBondContact O-CB 3.28Å; T84-T88 PolarHBondContact O-N 3.25Å; T84-T88 PolarHBondContact O-OG1 3.34Å; V85-T88 PolarHBondContact O-N 3.16Å; F86-T88 VanDerWaalsContact C-N 3.3Å; F86-T88 PolarHBondContact O-N 3.14Å; T88-W91 PolarHBondContact O-N 3.34Å; T88-K92 PolarHBondContact O-N 2.79Å
89I90.8Very high89.9Confident37 Ų3762.5 Ų62.519%0.1931%0.311CS..Hα-helixtrans-70.5-42.8178-74.1171.4000110.8V85 F86 W91 K92 K93 L103V85-I89 HydrophobicContact CG1-CD1 3.77Å; V85-I89 WeakPolarHBondContact O-CB 3.18Å; V85-I89 WeakPolarHBondContact O-CG1 3.27Å; V85-I89 PolarHBondContact O-N 2.8Å; F86-I89 PolarHBondContact O-N 2.94Å; I89-W91 PolarHBondContact O-N 3.43Å; I89-K92 PolarHBondContact O-N 3.15Å; I89-K93 HydrophobicContact CG2-CB 4.39Å; I89-K93 CarbonylContact O-C 3.6Å; I89-K93 VanDerWaalsContact O-C 3.31Å; I89-K93 WeakPolarHBondContact O-CA 3.34Å; I89-K93 PolarHBondContact O-N 3.11Å; I89-L103 HydrophobicContact CB-CD1 4.03Å; I89-L103 HydrophobicContact CD1-CD1 3.31Å; I89-L103 HydrophobicContact CG1-CD1 4.21Å; I89-L103 HydrophobicContact CG2-CD1 4.05Å
90S87.8Confident89.4Confident11 Ų1163.1 Ų63.18%0.07731%0.313CS..Hα-helixtrans-58.8-36.1175.2-173.20000111.5R27 H35 F86 E100R27-S90 PolarHBondContact NH2-OG 2.86Å; H35-S90 PolarHBondContact CE1-OG 3.29Å; F86-S90 WeakPolarHBondContact O-CB 3.43Å; F86-S90 PolarHBondContact O-N 2.82Å; S90-E100 WeakPolarHBondContact CB-OE1 3.17Å; S90-E100 PolarHBondContact OG-OE1 3.5Å
91W87.1Confident89Confident65 Ų6567.2 Ų67.225%0.24633%0.332CS..Hα-helixtrans-74.8-54.1176.3-174.922.5000113.7E32 H35 A36 H87 T88 I89E32-W91 VanDerWaalsContact CD-NE1 3.31Å; E32-W91 PolarHBondContact OE1-NE1 2.89Å; E32-W91 PolarHBondContact OE2-NE1 2.93Å; H35-W91 HydrophobicContact CB-CB 3.92Å; H35-W91 HydrophobicContact CB-CD2 4.04Å; H35-W91 HydrophobicContact CB-CG 3.71Å; A36-W91 HydrophobicContact CB-CH2 3.79Å; A36-W91 HydrophobicContact CB-CZ2 4.27Å; A36-W91 HydrophobicContact CB-CZ3 4.1Å; H87-W91 VanDerWaalsContact O-CB 3.28Å; H87-W91 WeakPolarHBondContact O-CB 3.21Å; H87-W91 PolarHBondContact O-N 3.12Å; T88-W91 PolarHBondContact O-N 3.34Å; I89-W91 PolarHBondContact O-N 3.43Å
92K87.1Confident88.6Confident127 Ų12767.2 Ų67.255%0.55233%0.334SS*.Hα-helixtrans-95.2-20.3-167.2-62.9-55-170.2-168.90114.8T88 I89T88-K92 PolarHBondContact O-N 2.79Å; I89-K92 PolarHBondContact O-N 3.15Å
93K82.8Confident88.4Confident111 Ų11166.9 Ų66.948%0.48333%0.331SS..  trans-13345.7-173.6-62.8-168178.8-177.20112I89 H95 L96I89-K93 HydrophobicContact CG2-CB 4.39Å; I89-K93 CarbonylContact O-C 3.6Å; I89-K93 VanDerWaalsContact O-C 3.31Å; I89-K93 WeakPolarHBondContact O-CA 3.34Å; I89-K93 PolarHBondContact O-N 3.11Å; K93-H95 PolarHBondContact O-N 3.3Å; K93-L96 HydrophobicContact CB-CD1 4.05Å; K93-L96 HydrophobicContact CB-CG 4.37Å; K93-L96 HydrophobicContact CD-CD1 3.94Å; K93-L96 WeakPolarHBondContact O-CB 3.24Å; K93-L96 PolarHBondContact O-N 3.36Å
94S70.8Confident88.2Confident75 Ų7567.6 Ų67.652%0.52433%0.334SS..THydrogen-bonded Turntrans-59.7-13.1-18061.70000115.2L96S94-L96 VanDerWaalsContact C-N 3.29Å
95H80.9Confident88Confident141 Ų14168 Ų6865%0.65334%0.335SS*.THydrogen-bonded Turntrans-70.6-22.917164.8-86.6000112.8K93 R97K93-H95 PolarHBondContact O-N 3.3Å; H95-R97 VanDerWaalsContact C-N 3.26Å; H95-R97 PolarHBondContact O-N 2.8Å; H95-R97 VanDerWaalsContact O-N 3.08Å
96L84.3Confident87.9Confident65 Ų6570.4 Ų70.434%0.3434%0.341SS..  trans-86.256.3178.8-59.5178.6000112K93 S94 M98 V99 E100K93-L96 HydrophobicContact CB-CD1 4.05Å; K93-L96 HydrophobicContact CB-CG 4.37Å; K93-L96 HydrophobicContact CD-CD1 3.94Å; K93-L96 WeakPolarHBondContact O-CB 3.24Å; K93-L96 PolarHBondContact O-N 3.36Å; S94-L96 VanDerWaalsContact C-N 3.29Å; L96-M98 PolarHBondContact O-N 3.14Å; L96-M98 VanDerWaalsContact O-N 3.13Å; L96-V99 HydrophobicContact CB-CB 4.08Å; L96-V99 HydrophobicContact CB-CG2 4.21Å; L96-V99 PolarHBondContact O-N 3.4Å; L96-E100 PolarHBondContact O-N 2.84Å
97R82.9Confident88Confident199 Ų19970.5 Ų70.575%0.75134%0.342SS*.Hα-helixtrans-54.8-36.5-173.3-65.8-175.5-177.2174.62.1114H95 H101H95-R97 VanDerWaalsContact C-N 3.26Å; H95-R97 PolarHBondContact O-N 2.8Å; H95-R97 VanDerWaalsContact O-N 3.08Å; R97-H101 WeakPolarHBondContact O-CB 3.37Å; R97-H101 PolarHBondContact O-N 2.97Å
98M86.4Confident88.1Confident168 Ų16871.1 Ų71.183%0.82834%0.344SS*.Hα-helixtrans-66.5-44.9177.7-176.2-173.8177.300111.9L96 H101 C102L96-M98 PolarHBondContact O-N 3.14Å; L96-M98 VanDerWaalsContact O-N 3.13Å; M98-H101 PolarHBondContact O-N 3.44Å; M98-C102 PolarHBondContact O-N 3Å
99V88.4Confident88.2Confident65 Ų6569.3 Ų69.339%0.39433%0.332SS..Hα-helixtrans-66.4-44.1179-1800000110L96 H101 C102 L103L96-V99 HydrophobicContact CB-CB 4.08Å; L96-V99 HydrophobicContact CB-CG2 4.21Å; L96-V99 PolarHBondContact O-N 3.4Å; V99-H101 VanDerWaalsContact C-N 3.32Å; V99-H101 PolarHBondContact O-N 3.47Å; V99-C102 PolarHBondContact O-N 3.08Å; V99-L103 HydrophobicContact CG1-CD1 3.83Å; V99-L103 HydrophobicContact CG1-CG 4.33Å; V99-L103 WeakPolarHBondContact O-CB 3.42Å; V99-L103 WeakPolarHBondContact O-CG 3.41Å; V99-L103 PolarHBondContact O-N 3.11Å
100E87.7Confident88.5Confident21 Ų2168.3 Ų68.310%0.09833%0.328CS..Hα-helixtrans-58.5-43.9175.9-172.5-170.3172.900111.9R27 F86 S90 L96 L103 H104R27-E100 IonicContact CZ-OE1 2.65Å; R27-E100 VanDerWaalsContact NH1-CD 3.26Å; R27-E100 IonicContact NH1-OE1 2.79Å; R27-E100 PolarHBondContact NH1-OE1 3.44Å; R27-E100 IonicContact NH1-OE2 2.74Å; R27-E100 IonicContact NH2-OE1 3.11Å; R27-E100 PolarHBondContact NH2-OE1 3.47Å; F86-E100 HydrophobicContact CE2-CG 4.33Å; S90-E100 WeakPolarHBondContact CB-OE1 3.17Å; S90-E100 PolarHBondContact OG-OE1 3.5Å; L96-E100 PolarHBondContact O-N 2.84Å; E100-L103 PolarHBondContact O-N 3.37Å; E100-H104 WeakPolarHBondContact O-CB 3.31Å; E100-H104 PolarHBondContact O-N 3.34Å
101H88.3Confident89Confident90 Ų9069.3 Ų69.342%0.41733%0.332SS..Hα-helixtrans-62.4-45.1177-176.969.8000111.9R97 M98 V99 H104 M105 H154R97-H101 WeakPolarHBondContact O-CB 3.37Å; R97-H101 PolarHBondContact O-N 2.97Å; M98-H101 PolarHBondContact O-N 3.44Å; V99-H101 VanDerWaalsContact C-N 3.32Å; V99-H101 PolarHBondContact O-N 3.47Å; H101-H104 WeakPolarHBondContact O-CB 3.41Å; H101-H104 PolarHBondContact O-N 2.94Å; H101-M105 WeakPolarHBondContact O-CG 3.31Å; H101-M105 PolarHBondContact O-N 3.34Å; H101-H154 AromaticContact CE1-CD2 3.3Å; H101-H154 PolarHBondContact CE1-CD2 3.06Å; H101-H154 AromaticContact CE1-NE2 3.58Å; H101-H154 AromaticContact ND1-CD2 3.89Å; H101-H154 AromaticContact ND1-NE2 3.7Å
102C90.6Very high89.5Confident57 Ų5766.3 Ų66.339%0.38532%0.32SS..Hα-helixtrans-61.7-45.7176.9-169.50000111.8M98 V99 H104 M105 F106M98-C102 PolarHBondContact O-N 3Å; V99-C102 PolarHBondContact O-N 3.08Å; C102-H104 VanDerWaalsContact C-N 3.32Å; C102-H104 PolarHBondContact O-N 3.28Å; C102-M105 WeakPolarHBondContact O-CB 3.11Å; C102-M105 PolarHBondContact O-N 3.28Å; C102-M105 VanDerWaalsContact O-N 3.15Å; C102-F106 WeakPolarHBondContact O-CD2 3.3Å; C102-F106 PolarHBondContact O-N 3.14Å; C102-F106 WeakPolarHBondContact SG-CE2 3.44Å
103L92.8Very high90Very high29 Ų2964.4 Ų64.415%0.15231%0.312CS..Hα-helixtrans-65.5-35.5177-70.8170.5000112.5V85 F86 I89 V99 E100 M105 F106 D107V85-L103 HydrophobicContact CG1-CD1 4.09Å; V85-L103 HydrophobicContact CG1-CD2 4.01Å; F86-L103 HydrophobicContact CB-CB 4.09Å; F86-L103 HydrophobicContact CD2-CB 4.04Å; I89-L103 HydrophobicContact CB-CD1 4.03Å; I89-L103 HydrophobicContact CD1-CD1 3.31Å; I89-L103 HydrophobicContact CG1-CD1 4.21Å; I89-L103 HydrophobicContact CG2-CD1 4.05Å; V99-L103 HydrophobicContact CG1-CD1 3.83Å; V99-L103 HydrophobicContact CG1-CG 4.33Å; V99-L103 WeakPolarHBondContact O-CB 3.42Å; V99-L103 WeakPolarHBondContact O-CG 3.41Å; V99-L103 PolarHBondContact O-N 3.11Å; E100-L103 PolarHBondContact O-N 3.37Å; L103-M105 VanDerWaalsContact C-N 3.31Å; L103-F106 PolarHBondContact O-N 3.1Å; L103-D107 WeakPolarHBondContact O-CB 3.03Å; L103-D107 PolarHBondContact O-N 3.17Å
104H92.3Very high90.7Very high16 Ų1659.4 Ų59.47%0.07429%0.291CS..Hα-helixtrans-65-36.9173.3-172.2-129.2000111.9F86 E100 H101 C102 R108 H154 E155F86-H104 HydrophobicContact CD2-CB 4Å; F86-H104 AromaticContact CE1-CD2 3.75Å; F86-H104 HydrophobicContact CE2-CB 3.48Å; F86-H104 VanDerWaalsContact CE2-CB 3.48Å; F86-H104 AromaticContact CE2-CD2 3.76Å; F86-H104 AromaticContact CE2-CG 3.9Å; F86-H104 HydrophobicContact CZ-CB 3.97Å; F86-H104 AromaticContact CZ-CD2 3.25Å; F86-H104 WeakPolarHBondContact CZ-CD2 3.39Å; F86-H104 AromaticContact CZ-CG 3.85Å; E100-H104 WeakPolarHBondContact O-CB 3.31Å; E100-H104 PolarHBondContact O-N 3.34Å; H101-H104 WeakPolarHBondContact O-CB 3.41Å; H101-H104 PolarHBondContact O-N 2.94Å; C102-H104 VanDerWaalsContact C-N 3.32Å; C102-H104 PolarHBondContact O-N 3.28Å; H104-R108 WeakPolarHBondContact O-CG 3.5Å; H104-R108 PolarHBondContact O-N 3Å; H104-H154 AromaticContact CE1-CE1 3.86Å; H104-H154 AromaticContact CE1-NE2 3.81Å; H104-H154 AromaticContact CG-CE1 3.95Å; H104-H154 AromaticContact ND1-CE1 3.14Å; H104-H154 PolarHBondContact ND1-CE1 2.87Å; H104-H154 AromaticContact ND1-NE2 3.07Å; H104-H154 PolarHBondContact ND1-NE2 3.16Å; H104-E155 VanDerWaalsContact CE1-CD 3.4Å; H104-E155 IonicContact CE1-OE1 3.92Å; H104-E155 IonicContact CE1-OE2 3.18Å; H104-E155 PolarHBondContact CE1-OE2 3.44Å; H104-E155 IonicContact ND1-OE2 2.7Å
105M92.5Very high92Very high25 Ų2557 Ų5712%0.12327%0.272CS..Hα-helixtrans-63-47.9171.7-69.6175.469.800110.7H101 C102 L103 D107 R108 M109 F151 H154H101-M105 WeakPolarHBondContact O-CG 3.31Å; H101-M105 PolarHBondContact O-N 3.34Å; C102-M105 WeakPolarHBondContact O-CB 3.11Å; C102-M105 PolarHBondContact O-N 3.28Å; C102-M105 VanDerWaalsContact O-N 3.15Å; L103-M105 VanDerWaalsContact C-N 3.31Å; M105-D107 PolarHBondContact O-N 3.12Å; M105-R108 PolarHBondContact O-N 3.5Å; M105-M109 HydrophobicContact CB-CE 4.37Å; M105-M109 HydrophobicContact CE-CE 3.9Å; M105-M109 VanDerWaalsContact O-CG 3.26Å; M105-M109 WeakPolarHBondContact O-CG 3.29Å; M105-M109 PolarHBondContact O-N 3.1Å; M105-F151 HydrophobicContact CE-CB 4.4Å; M105-F151 HydrophobicContact CE-CD2 3.65Å; M105-F151 HydrophobicContact CE-CE2 4.26Å; M105-F151 HydrophobicContact CE-CG 4.26Å; M105-H154 VanDerWaalsContact CG-CE1 3.47Å; M105-H154 WeakPolarHBondContact CG-CE1 3.4Å; M105-H154 VanDerWaalsContact CG-ND1 3.29Å; M105-H154 WeakPolarHBondContact CG-ND1 3.45Å
106F94.8Very high92.8Very high108 Ų10850.3 Ų50.347%0.47424%0.241SC..Hα-helixtrans-61.2-41.2177.9-77.6-61000113V82 C102 L103 R108 M109 V110V82-F106 HydrophobicContact CG1-CB 3.83Å; C102-F106 WeakPolarHBondContact O-CD2 3.3Å; C102-F106 PolarHBondContact O-N 3.14Å; C102-F106 WeakPolarHBondContact SG-CE2 3.44Å; L103-F106 PolarHBondContact O-N 3.1Å; F106-R108 PolarHBondContact O-N 3.21Å; F106-M109 PolarHBondContact O-N 3.19Å; F106-V110 WeakPolarHBondContact O-CB 3.37Å; F106-V110 PolarHBondContact O-N 3.29Å
107D95.1Very high93.5Very high10 Ų1047.3 Ų47.35%0.05323%0.225CC..Hα-helixtrans-61.4-29.4177-176.760.1000112.7V82 S83 F86 L103 M105 V110V82-D107 HydrophobicContact CG1-CB 4.21Å; S83-D107 WeakPolarHBondContact CA-OD1 3.49Å; S83-D107 WeakPolarHBondContact CB-OD1 3.33Å; S83-D107 PolarHBondContact OG-OD1 3.21Å; F86-D107 HydrophobicContact CB-CB 4.2Å; F86-D107 HydrophobicContact CD1-CB 4.01Å; F86-D107 HydrophobicContact CG-CB 4.15Å; L103-D107 WeakPolarHBondContact O-CB 3.03Å; L103-D107 PolarHBondContact O-N 3.17Å; M105-D107 PolarHBondContact O-N 3.12Å; D107-V110 WeakPolarHBondContact O-CG1 3.31Å
108R94.3Very high94.2Very high17 Ų1738.2 Ų38.26%0.06419%0.192CC..Hα-helixtrans-82.8-41.3172.7-62.6174.484.2102.56.8112H104 M105 F106 V110 I111 V150 E161 Y165H104-R108 WeakPolarHBondContact O-CG 3.5Å; H104-R108 PolarHBondContact O-N 3Å; M105-R108 PolarHBondContact O-N 3.5Å; F106-R108 PolarHBondContact O-N 3.21Å; R108-V110 VanDerWaalsContact C-N 3.33Å; R108-V110 PolarHBondContact O-N 3.48Å; R108-I111 WeakPolarHBondContact O-CB 3.31Å; R108-I111 PolarHBondContact O-N 2.66Å; R108-V150 HydrophobicContact CB-CG1 3.95Å; R108-V150 HydrophobicContact CB-CG2 4.34Å; R108-E161 IonicContact CZ-OE1 3.95Å; R108-E161 IonicContact CZ-OE2 3.08Å; R108-E161 VanDerWaalsContact NE-CD 3.29Å; R108-E161 IonicContact NE-OE1 3.82Å; R108-E161 PolarHBondContact NE-OE1 3.07Å; R108-E161 IonicContact NE-OE2 3.92Å; R108-E161 PolarHBondContact NE-OE2 3.36Å; R108-E161 IonicContact NH2-OE1 2.79Å; R108-E161 PolarHBondContact NH2-OE1 2.87Å; R108-E161 IonicContact NH2-OE2 3.54Å; R108-E161 PolarHBondContact NH2-OE2 3.17Å; R108-Y165 PolarHBondContact O-OH 2.95Å; R108-Y165 VanDerWaalsContact O-OH 3.08Å
109M95.7Very high94.7Very high18 Ų1830.8 Ų30.89%0.08916%0.155CC..Hα-helixtrans-63.9-38.7178.9-69.8173.217900112.1M105 F106 I111 Y112 F113 T147 V150 F151M105-M109 HydrophobicContact CB-CE 4.37Å; M105-M109 HydrophobicContact CE-CE 3.9Å; M105-M109 VanDerWaalsContact O-CG 3.26Å; M105-M109 WeakPolarHBondContact O-CG 3.29Å; M105-M109 PolarHBondContact O-N 3.1Å; F106-M109 PolarHBondContact O-N 3.19Å; M109-I111 PolarHBondContact O-N 2.98Å; M109-I111 VanDerWaalsContact O-N 3.16Å; M109-Y112 WeakPolarHBondContact O-CB 3.32Å; M109-Y112 PolarHBondContact O-N 3.1Å; M109-F113 WeakPolarHBondContact O-CD2 3.45Å; M109-F113 PolarHBondContact O-N 3.3Å; M109-T147 HydrophobicContact CB-CG2 4.37Å; M109-T147 HydrophobicContact CE-CG2 4.25Å; M109-T147 HydrophobicContact CG-CG2 3.93Å; M109-T147 HydrophobicContact SD-CG2 3.83Å; M109-V150 HydrophobicContact CE-CB 4.1Å; M109-V150 HydrophobicContact CE-CG1 3.9Å; M109-V150 HydrophobicContact CG-CB 3.99Å; M109-V150 HydrophobicContact CG-CG1 3.81Å; M109-F151 HydrophobicContact CE-CB 3.75Å; M109-F151 HydrophobicContact CE-CD2 4.08Å; M109-F151 HydrophobicContact CE-CG 4.43Å
110V97Very high95.1Very high17 Ų1727.9 Ų27.910%0.10314%0.137CC..Hα-helixtrans-61.6-26.4-177.976.80000112L79 V82 F106 D107 R108 F113 F114L79-V110 HydrophobicContact CD1-CG1 4.33Å; V82-V110 HydrophobicContact CB-CG1 4.33Å; V82-V110 HydrophobicContact CG1-CG1 4.32Å; V82-V110 HydrophobicContact CG2-CG2 4.46Å; F106-V110 WeakPolarHBondContact O-CB 3.37Å; F106-V110 PolarHBondContact O-N 3.29Å; D107-V110 WeakPolarHBondContact O-CG1 3.31Å; R108-V110 VanDerWaalsContact C-N 3.33Å; R108-V110 PolarHBondContact O-N 3.48Å; V110-F113 PolarHBondContact O-N 3.49Å; V110-F114 WeakPolarHBondContact O-CB 3.24Å; V110-F114 PolarHBondContact O-N 2.94Å
111I96.9Very high95.5Very high31 Ų3126.9 Ų26.916%0.15913%0.132CC..Hα-helixtrans-62.1-45.5173.8-59.5171.9000110.5R108 M109 F114 I115 Y165 W215R108-I111 WeakPolarHBondContact O-CB 3.31Å; R108-I111 PolarHBondContact O-N 2.66Å; M109-I111 PolarHBondContact O-N 2.98Å; M109-I111 VanDerWaalsContact O-N 3.16Å; I111-F114 PolarHBondContact O-N 3.47Å; I111-I115 HydrophobicContact CG2-CD1 3.99Å; I111-I115 HydrophobicContact CG2-CG1 4.47Å; I111-I115 VanDerWaalsContact O-CG1 3.24Å; I111-I115 WeakPolarHBondContact O-CG1 3.33Å; I111-I115 PolarHBondContact O-N 3.07Å; I111-Y165 HydrophobicContact CB-CD1 4.39Å; I111-Y165 HydrophobicContact CB-CE1 3.78Å; I111-Y165 HydrophobicContact CD1-CE2 4.48Å; I111-Y165 HydrophobicContact CG2-CD1 3.67Å; I111-Y165 HydrophobicContact CG2-CE1 3.57Å; I111-Y165 HydrophobicContact CG2-CG 4.25Å; I111-W215 HydrophobicContact CD1-CH2 4.25Å; I111-W215 HydrophobicContact CD1-CZ2 4.23Å
112Y97.3Very high95.8Very high2 Ų222.6 Ų22.61%0.00811%0.113CC..Hα-helixtrans-60.8-48.3176.7-72.2-74.7000111.6M109 F114 I115 A116 G146 V150 E161 C164 Y165 M168M109-Y112 WeakPolarHBondContact O-CB 3.32Å; M109-Y112 PolarHBondContact O-N 3.1Å; Y112-F114 VanDerWaalsContact C-N 3.31Å; Y112-F114 PolarHBondContact O-N 3.23Å; Y112-I115 PolarHBondContact O-N 3.11Å; Y112-A116 PolarHBondContact O-N 2.92Å; Y112-A116 VanDerWaalsContact O-N 3.11Å; Y112-G146 WeakPolarHBondContact CE2-O 3.47Å; Y112-V150 HydrophobicContact CD2-CG2 4.28Å; Y112-V150 HydrophobicContact CE2-CG2 3.59Å; Y112-E161 HydrophobicContact CE2-CG 4.47Å; Y112-E161 WeakPolarHBondContact OH-CG 3.21Å; Y112-E161 PolarHBondContact OH-O 3.31Å; Y112-C164 HydrophobicContact CE1-CB 3.9Å; Y112-C164 VanDerWaalsContact OH-CB 3.29Å; Y112-C164 WeakPolarHBondContact OH-CB 3.33Å; Y112-Y165 AromaticContact CD1-CD1 3.94Å; Y112-Y165 HydrophobicContact CD1-CD1 3.94Å; Y112-Y165 AromaticContact CD1-CE1 3.88Å; Y112-Y165 HydrophobicContact CD1-CE1 3.88Å; Y112-Y165 HydrophobicContact CD2-CD1 4.34Å; Y112-Y165 AromaticContact CD2-CE1 3.46Å; Y112-Y165 HydrophobicContact CD2-CE1 3.46Å; Y112-Y165 VanDerWaalsContact CD2-CE1 3.46Å; Y112-Y165 AromaticContact CE1-CD1 3.57Å; Y112-Y165 HydrophobicContact CE1-CD1 3.57Å; Y112-Y165 AromaticContact CE1-CE1 3.59Å; Y112-Y165 HydrophobicContact CE1-CE1 3.59Å; Y112-Y165 AromaticContact CE2-CD1 4Å; Y112-Y165 HydrophobicContact CE2-CD1 4Å; Y112-Y165 AromaticContact CE2-CE1 3.12Å; Y112-Y165 HydrophobicContact CE2-CE1 3.12Å; Y112-Y165 AromaticContact CE2-CZ 3.59Å; Y112-Y165 WeakPolarHBondContact CE2-OH 3.24Å; Y112-Y165 HydrophobicContact CG-CD1 4.3Å; Y112-Y165 AromaticContact CG-CE1 3.82Å; Y112-Y165 HydrophobicContact CG-CE1 3.82Å; Y112-Y165 AromaticContact CZ-CD1 3.6Å; Y112-Y165 AromaticContact CZ-CE1 3.19Å; Y112-Y165 AromaticContact CZ-CZ 3.82Å; Y112-M168 HydrophobicContact CD1-SD 3.74Å; Y112-M168 WeakPolarHBondContact O-CE 3.21Å
113F97.5Very high96Very high87 Ų8719.9 Ų19.938%0.38210%0.095SC..Hα-helixtrans-62.5-39.5177.9-78.4-81.5000112.2M109 V110 A116 A117 W140 T147M109-F113 WeakPolarHBondContact O-CD2 3.45Å; M109-F113 PolarHBondContact O-N 3.3Å; V110-F113 PolarHBondContact O-N 3.49Å; F113-A116 PolarHBondContact O-N 3.43Å; F113-A117 VanDerWaalsContact O-CB 3.27Å; F113-A117 WeakPolarHBondContact O-CB 3.49Å; F113-A117 PolarHBondContact O-N 2.79Å; F113-W140 HydrophobicContact CD1-CZ3 4.03Å; F113-W140 HydrophobicContact CE1-CZ3 4.5Å; F113-T147 HydrophobicContact CE2-CG2 4.03Å; F113-T147 VanDerWaalsContact CE2-OG1 3.24Å; F113-T147 WeakPolarHBondContact CE2-OG1 3.43Å
114F98.3Very high96.1Very high7 Ų719.6 Ų19.63%0.0319%0.093CC..Hα-helixtrans-67.9-38.7178.9-180-117.8000112.5G75 L76 L79 V110 I111 Y112 A116 A117 S118 Y195 A223G75-F114 VanDerWaalsContact C-CD2 3.49Å; G75-F114 WeakPolarHBondContact O-CD2 3.48Å; L76-F114 HydrophobicContact CB-CE2 3.96Å; L76-F114 HydrophobicContact CD1-CE2 3.65Å; L76-F114 HydrophobicContact CD1-CZ 3.7Å; L76-F114 HydrophobicContact CG-CE2 4.44Å; L79-F114 HydrophobicContact CB-CD2 4.46Å; L79-F114 HydrophobicContact CB-CG 4.27Å; L79-F114 HydrophobicContact CD1-CD1 4.27Å; L79-F114 HydrophobicContact CD2-CD1 3.66Å; L79-F114 HydrophobicContact CD2-CE1 3.58Å; L79-F114 HydrophobicContact CD2-CE2 4.48Å; L79-F114 HydrophobicContact CD2-CG 4.13Å; L79-F114 HydrophobicContact CD2-CZ 4.02Å; L79-F114 HydrophobicContact CG-CD1 4.39Å; V110-F114 WeakPolarHBondContact O-CB 3.24Å; V110-F114 PolarHBondContact O-N 2.94Å; I111-F114 PolarHBondContact O-N 3.47Å; Y112-F114 VanDerWaalsContact C-N 3.31Å; Y112-F114 PolarHBondContact O-N 3.23Å; F114-A116 VanDerWaalsContact C-N 3.34Å; F114-A116 PolarHBondContact O-N 3.49Å; F114-A117 PolarHBondContact O-N 3.17Å; F114-S118 WeakPolarHBondContact O-CB 3.43Å; F114-S118 PolarHBondContact O-N 3.44Å; F114-S118 PolarHBondContact O-OG 2.84Å; F114-Y195 WeakPolarHBondContact CE1-OH 3.36Å; F114-A223 HydrophobicContact CE1-CB 4.11Å; F114-A223 HydrophobicContact CZ-CB 3.79Å
115I97.8Very high96.2Very high25 Ų2520.9 Ų20.913%0.12810%0.1CC..Hα-helixtrans-62.6-42173-62.3165.7000110.1I111 Y112 S118 Y119 Y165 M168I111-I115 HydrophobicContact CG2-CD1 3.99Å; I111-I115 HydrophobicContact CG2-CG1 4.47Å; I111-I115 VanDerWaalsContact O-CG1 3.24Å; I111-I115 WeakPolarHBondContact O-CG1 3.33Å; I111-I115 PolarHBondContact O-N 3.07Å; Y112-I115 PolarHBondContact O-N 3.11Å; I115-S118 PolarHBondContact O-N 2.96Å; I115-S118 PolarHBondContact O-OG 3.39Å; I115-Y119 HydrophobicContact CG2-CD2 4.15Å; I115-Y119 HydrophobicContact CG2-CE2 3.91Å; I115-Y119 WeakPolarHBondContact O-CD2 3.33Å; I115-Y119 PolarHBondContact O-N 3.11Å; I115-Y165 HydrophobicContact CD1-CD1 4.16Å; I115-M168 HydrophobicContact CB-CE 4.12Å; I115-M168 HydrophobicContact CB-SD 4.29Å; I115-M168 HydrophobicContact CG2-CB 4.32Å; I115-M168 HydrophobicContact CG2-CE 4.12Å; I115-M168 HydrophobicContact CG2-CG 3.94Å; I115-M168 HydrophobicContact CG2-SD 4.21Å
116A98.2Very high96.1Very high0 Ų020.6 Ų20.60%010%0.098CC..Hα-helixtrans-64-45.417500000112.2Y112 F113 F114 S118 Y119 A120 V139 W140 A143 M168Y112-A116 PolarHBondContact O-N 2.92Å; Y112-A116 VanDerWaalsContact O-N 3.11Å; F113-A116 PolarHBondContact O-N 3.43Å; F114-A116 VanDerWaalsContact C-N 3.34Å; F114-A116 PolarHBondContact O-N 3.49Å; A116-S118 VanDerWaalsContact C-N 3.33Å; A116-S118 PolarHBondContact O-N 3.32Å; A116-Y119 PolarHBondContact O-N 3.08Å; A116-A120 PolarHBondContact O-N 3.35Å; A116-A120 VanDerWaalsContact O-N 3.14Å; A116-V139 HydrophobicContact CB-CG1 4.4Å; A116-V139 HydrophobicContact CB-CG2 3.98Å; A116-W140 HydrophobicContact CB-CD2 4.11Å; A116-W140 HydrophobicContact CB-CE3 3.91Å; A116-W140 HydrophobicContact CB-CH2 4.28Å; A116-W140 HydrophobicContact CB-CZ2 4.45Å; A116-W140 HydrophobicContact CB-CZ3 4.01Å; A116-A143 HydrophobicContact CB-CB 4Å; A116-M168 HydrophobicContact CB-CE 3.63Å
117A98.3Very high95.6Very high2 Ų224.1 Ų24.12%0.01712%0.116CC..Hα-helixtrans-64.4-35.2179.500000112.5I71 F113 F114 Y119 A120 P121I71-A117 HydrophobicContact CG2-CB 3.97Å; I71-A117 WeakPolarHBondContact O-CB 3.47Å; F113-A117 VanDerWaalsContact O-CB 3.27Å; F113-A117 WeakPolarHBondContact O-CB 3.49Å; F113-A117 PolarHBondContact O-N 2.79Å; F114-A117 PolarHBondContact O-N 3.17Å; A117-Y119 VanDerWaalsContact C-N 3.26Å; A117-Y119 PolarHBondContact O-N 3.46Å; A117-A120 PolarHBondContact O-N 2.92Å; A117-P121 VanDerWaalsContact O-CD 3.23Å; A117-P121 WeakPolarHBondContact O-CD 3.48Å
118S97.8Very high95.1Very high7 Ų725.3 Ų25.35%0.04912%0.122CC..Hα-helixtrans-66.5-29.1177.572.50000112.7F114 I115 A116F114-S118 WeakPolarHBondContact O-CB 3.43Å; F114-S118 PolarHBondContact O-N 3.44Å; F114-S118 PolarHBondContact O-OG 2.84Å; I115-S118 PolarHBondContact O-N 2.96Å; I115-S118 PolarHBondContact O-OG 3.39Å; A116-S118 VanDerWaalsContact C-N 3.33Å; A116-S118 PolarHBondContact O-N 3.32Å
119Y97.3Very high94.5Very high13 Ų1326.5 Ų26.55%0.05114%0.139CC..Hα-helixtrans-84.8-22.7174.8-74.7-53.6000114.4I115 A116 A117 W122 L123 V139 G169 P172 A173 I176I115-Y119 HydrophobicContact CG2-CD2 4.15Å; I115-Y119 HydrophobicContact CG2-CE2 3.91Å; I115-Y119 WeakPolarHBondContact O-CD2 3.33Å; I115-Y119 PolarHBondContact O-N 3.11Å; A116-Y119 PolarHBondContact O-N 3.08Å; A117-Y119 VanDerWaalsContact C-N 3.26Å; A117-Y119 PolarHBondContact O-N 3.46Å; Y119-W122 PolarHBondContact O-N 3.32Å; Y119-L123 WeakPolarHBondContact O-CG 3.26Å; Y119-L123 PolarHBondContact O-N 2.84Å; Y119-V139 HydrophobicContact CD2-CG2 4.28Å; Y119-G169 PolarHBondContact OH-O 3.34Å; Y119-P172 HydrophobicContact CD1-CB 4.1Å; Y119-P172 HydrophobicContact CD2-CB 3.65Å; Y119-P172 HydrophobicContact CD2-CG 3.76Å; Y119-P172 HydrophobicContact CE1-CB 4.27Å; Y119-P172 HydrophobicContact CE2-CB 3.81Å; Y119-P172 HydrophobicContact CE2-CG 3.85Å; Y119-P172 HydrophobicContact CG-CB 3.81Å; Y119-P172 HydrophobicContact CG-CG 4.4Å; Y119-A173 HydrophobicContact CE1-CB 4.46Å; Y119-I176 HydrophobicContact CD1-CD1 3.27Å; Y119-I176 HydrophobicContact CE1-CD1 3.6Å; Y119-I176 HydrophobicContact CG-CD1 4.41Å
120A97Very high93.9Very high3 Ų330.7 Ų30.73%0.02517%0.168CC..Hα-helixtrans-56.5-46.2-173.900000113.9I71 A116 A117 W122 L123 N124I71-A120 HydrophobicContact CB-CB 4.42Å; I71-A120 HydrophobicContact CG2-CB 3.57Å; A116-A120 PolarHBondContact O-N 3.35Å; A116-A120 VanDerWaalsContact O-N 3.14Å; A117-A120 PolarHBondContact O-N 2.92Å; A120-W122 PolarHBondContact O-N 3.2Å; A120-L123 PolarHBondContact O-N 3.23Å; A120-N124 WeakPolarHBondContact O-CB 3.4Å; A120-N124 PolarHBondContact O-N 2.96Å; A120-N124 PolarHBondContact O-ND2 2.95Å
121P96.1Very high93Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-60.7-42.8177.4-25.536.1000113Y72 A117 L123 N124 L125 I230 L234Y72-P121 HydrophobicContact CD2-CG 4.22Å; Y72-P121 HydrophobicContact CG-CG 4.2Å; A117-P121 VanDerWaalsContact O-CD 3.23Å; A117-P121 WeakPolarHBondContact O-CD 3.48Å; P121-L123 VanDerWaalsContact C-N 3.35Å; P121-L123 PolarHBondContact O-N 3.11Å; P121-N124 PolarHBondContact O-N 3.24Å; P121-L125 HydrophobicContact CB-CD1 4.33Å; P121-L125 VanDerWaalsContact O-CB 3.23Å; P121-L125 WeakPolarHBondContact O-CB 3.24Å; P121-L125 VanDerWaalsContact O-CG 3.3Å; P121-L125 WeakPolarHBondContact O-CG 3.36Å; P121-L125 PolarHBondContact O-N 3.43Å; P121-I230 HydrophobicContact CB-CD1 4.44Å; P121-I230 HydrophobicContact CB-CG1 4.28Å; P121-I230 HydrophobicContact CB-CG2 3.93Å; P121-I230 HydrophobicContact CG-CD1 4.08Å; P121-I230 HydrophobicContact CG-CG1 4.44Å; P121-I230 HydrophobicContact CG-CG2 4.12Å; P121-L234 HydrophobicContact CB-CD1 3.64Å
122W95.1Very high92.4Very high0 Ų040.2 Ų40.20%021%0.205CC..Hα-helixtrans-63-44177.6-63.795.1000111.9Y119 A120 R126 I176 A229 I230 L234Y119-W122 PolarHBondContact O-N 3.32Å; A120-W122 PolarHBondContact O-N 3.2Å; W122-R126 WeakPolarHBondContact O-CB 3.27Å; W122-R126 PolarHBondContact O-N 2.88Å; W122-I176 HydrophobicContact CB-CD1 3.58Å; W122-I176 HydrophobicContact CB-CG1 4.07Å; W122-I176 HydrophobicContact CD2-CG2 4.48Å; W122-I176 HydrophobicContact CE3-CG2 4.12Å; W122-I176 HydrophobicContact CG-CD1 3.96Å; W122-A229 HydrophobicContact CH2-CB 4.24Å; W122-A229 HydrophobicContact CZ2-CB 3.74Å; W122-I230 HydrophobicContact CZ2-CG1 4.34Å; W122-L234 HydrophobicContact CD2-CD1 3.98Å; W122-L234 HydrophobicContact CE3-CD1 4.27Å; W122-L234 HydrophobicContact CE3-CD2 4.16Å; W122-L234 HydrophobicContact CG-CD1 4.24Å; W122-L234 HydrophobicContact CZ3-CD2 4.21Å
123L94.9Very high91.9Very high1 Ų142 Ų421%0.00522%0.217CC..Hα-helixtrans-73.9-32.9-177.4-63.9174.7000111.4Y119 A120 P121 L128 M135 R136 V139 V175 I176Y119-L123 WeakPolarHBondContact O-CG 3.26Å; Y119-L123 PolarHBondContact O-N 2.84Å; A120-L123 PolarHBondContact O-N 3.23Å; P121-L123 VanDerWaalsContact C-N 3.35Å; P121-L123 PolarHBondContact O-N 3.11Å; L123-L128 HydrophobicContact CB-CD1 4.41Å; L123-L128 HydrophobicContact CD2-CD1 4.16Å; L123-L128 WeakPolarHBondContact O-CD1 3.31Å; L123-M135 HydrophobicContact CD1-CB 4.35Å; L123-M135 HydrophobicContact CD1-CG 3.89Å; L123-M135 HydrophobicContact CD2-CB 4.01Å; L123-M135 HydrophobicContact CD2-CG 3.89Å; L123-R136 HydrophobicContact CB-CG 3.7Å; L123-R136 PolarHBondContact O-NE 3.49Å; L123-R136 PolarHBondContact O-NH2 3.38Å; L123-V139 HydrophobicContact CD1-CG1 4.14Å; L123-V175 HydrophobicContact CD2-CG1 4.29Å; L123-I176 HydrophobicContact CD2-CG1 4.34Å
124N94.4Very high91.7Very high22 Ų2242.9 Ų42.912%0.11822%0.223CC..Hα-helixtrans-82.8-43.2-176.9-72.2-16.3000113.7W64 S68 A120 P121 R136W64-N124 HydrophobicContact CE3-CB 4.06Å; W64-N124 HydrophobicContact CZ3-CB 4.46Å; S68-N124 VanDerWaalsContact OG-CB 3.27Å; S68-N124 WeakPolarHBondContact OG-CB 3.4Å; S68-N124 PolarHBondContact OG-ND2 3.09Å; S68-N124 VanDerWaalsContact OG-ND2 3.09Å; A120-N124 WeakPolarHBondContact O-CB 3.4Å; A120-N124 PolarHBondContact O-N 2.96Å; A120-N124 PolarHBondContact O-ND2 2.95Å; P121-N124 PolarHBondContact O-N 3.24Å; N124-R136 VanDerWaalsContact CA-CZ 3.48Å; N124-R136 PolarHBondContact O-NH2 3.12Å
125L93.1Very high91.5Very high44 Ų4443.1 Ų43.123%0.2322%0.224CC..Hα-helixtrans-95.3-21.4-167.9-54.2179.7000113.3W64 E65 P121 L234 Y235W64-L125 HydrophobicContact CB-CD2 3.95Å; E65-L125 HydrophobicContact CB-CD2 4.35Å; E65-L125 HydrophobicContact CG-CD1 4.13Å; E65-L125 HydrophobicContact CG-CD2 3.72Å; P121-L125 HydrophobicContact CB-CD1 4.33Å; P121-L125 VanDerWaalsContact O-CB 3.23Å; P121-L125 WeakPolarHBondContact O-CB 3.24Å; P121-L125 VanDerWaalsContact O-CG 3.3Å; P121-L125 WeakPolarHBondContact O-CG 3.36Å; P121-L125 PolarHBondContact O-N 3.43Å; L125-L234 HydrophobicContact CD1-CB 3.97Å; L125-Y235 HydrophobicContact CD1-CD2 4.37Å; L125-Y235 HydrophobicContact CD1-CE2 3.65Å
126R90.4Very high91.4Very high19 Ų1944.4 Ų44.47%0.07223%0.227CC..SBendtrans-88.4148.7174.2-63.6-159.8167.5-143.7-7.2112.1W122 L128 M179 N181 E183 L234W122-R126 WeakPolarHBondContact O-CB 3.27Å; W122-R126 PolarHBondContact O-N 2.88Å; R126-L128 PolarHBondContact O-N 3.36Å; R126-M179 HydrophobicContact CB-CE 3.81Å; R126-M179 HydrophobicContact CB-SD 3.84Å; R126-M179 WeakPolarHBondContact CD-SD 3.38Å; R126-M179 HydrophobicContact CG-SD 4.2Å; R126-N181 PolarHBondContact NH1-O 3.15Å; R126-N181 PolarHBondContact NH1-OD1 3.09Å; R126-E183 VanDerWaalsContact CZ-O 3.31Å; R126-E183 PolarHBondContact NH1-O 2.65Å; R126-E183 PolarHBondContact NH2-O 3.47Å; R126-L234 HydrophobicContact CG-CD2 3.84Å; R126-L234 VanDerWaalsContact NE-CD2 3.32Å
127E85.7Confident91.2Very high182 Ų18253 Ų5385%0.8526%0.26SS*.  trans-65.7122169.4-64.8-172.5174.600110.1
128L83.9Confident91.1Very high34 Ų3456 Ų5618%0.17828%0.275CS..  trans-118.6140.3179.4-75.3170.8000108.9L123 R126 A132 V175 M179L123-L128 HydrophobicContact CB-CD1 4.41Å; L123-L128 HydrophobicContact CD2-CD1 4.16Å; L123-L128 WeakPolarHBondContact O-CD1 3.31Å; R126-L128 PolarHBondContact O-N 3.36Å; L128-A132 HydrophobicContact CB-CB 4.18Å; L128-A132 HydrophobicContact CD2-CB 3.78Å; L128-V175 HydrophobicContact CD2-CG1 3.72Å; L128-M179 HydrophobicContact CD2-CE 3.21Å; L128-M179 HydrophobicContact CD2-CG 4.33Å; L128-M179 HydrophobicContact CG-CE 3.92Å
129G82.6Confident91.1Very high42 Ų4255.7 Ų55.743%0.43327%0.273SS..  trans-59.5158.1165.500000111.5W131 A132 S133G129-W131 VanDerWaalsContact C-N 3.29Å; G129-W131 PolarHBondContact O-N 3.45Å; G129-W131 VanDerWaalsContact O-N 3.16Å; G129-A132 WeakPolarHBondContact O-CA 3.49Å; G129-A132 WeakPolarHBondContact O-CB 3.43Å; G129-A132 PolarHBondContact O-N 3.05Å; G129-S133 PolarHBondContact O-N 3.3Å
130P81.8Confident91.1Very high107 Ų10758.9 Ų58.970%0.69529%0.285SS*.Hα-helixtrans-52.4-44.1-174.3-28.133.9000113.7S133P130-S133 PolarHBondContact O-N 2.84Å; P130-S133 PolarHBondContact O-OG 3.35Å
131W79Confident91.1Very high227 Ų22763.6 Ų63.686%0.8631%0.309SS*.Hα-helixtrans-66.9-38177.5-69.8112.1000113.5G129 S133 H134G129-W131 VanDerWaalsContact C-N 3.29Å; G129-W131 PolarHBondContact O-N 3.45Å; G129-W131 VanDerWaalsContact O-N 3.16Å; W131-S133 VanDerWaalsContact C-N 3.3Å; W131-S133 PolarHBondContact O-N 2.82Å; W131-H134 PolarHBondContact O-N 3.47Å
132A84.1Confident91.2Very high21 Ų2165.3 Ų65.317%0.17432%0.317CS..Hα-helixtrans-71.4-28.1-178.400000111.8L128 G129 H134 M135 V175L128-A132 HydrophobicContact CB-CB 4.18Å; L128-A132 HydrophobicContact CD2-CB 3.78Å; G129-A132 WeakPolarHBondContact O-CA 3.49Å; G129-A132 WeakPolarHBondContact O-CB 3.43Å; G129-A132 PolarHBondContact O-N 3.05Å; A132-H134 PolarHBondContact O-N 2.81Å; A132-M135 WeakPolarHBondContact O-CB 3.29Å; A132-M135 PolarHBondContact O-N 3.21Å; A132-M135 VanDerWaalsContact O-N 3.09Å; A132-V175 HydrophobicContact CB-CG1 3.78Å
133S87.2Confident91.3Very high38 Ų3865.3 Ų65.327%0.26632%0.317SS..Hα-helixtrans-61.1-30.117779.60000113.5G129 P130 W131 M135 R136G129-S133 PolarHBondContact O-N 3.3Å; P130-S133 PolarHBondContact O-N 2.84Å; P130-S133 PolarHBondContact O-OG 3.35Å; W131-S133 VanDerWaalsContact C-N 3.3Å; W131-S133 PolarHBondContact O-N 2.82Å; S133-M135 PolarHBondContact O-N 3.25Å; S133-M135 VanDerWaalsContact O-N 3.16Å; S133-R136 WeakPolarHBondContact O-CB 3.25Å; S133-R136 WeakPolarHBondContact O-CG 3.31Å; S133-R136 PolarHBondContact O-N 3.41Å; S133-R136 VanDerWaalsContact O-N 3.13Å
134H92.9Very high91.4Very high107 Ų10768.1 Ų68.150%0.49534%0.337SS..THydrogen-bonded Turntrans-63.5-19.7176.3-67-58.6000113.4W131 A132 R136 W137 L138W131-H134 PolarHBondContact O-N 3.47Å; A132-H134 PolarHBondContact O-N 2.81Å; H134-R136 PolarHBondContact O-N 2.98Å; H134-W137 PolarHBondContact O-N 2.88Å; H134-W137 VanDerWaalsContact O-N 3.12Å; H134-L138 PolarHBondContact O-N 3.41Å; H134-L138 VanDerWaalsContact O-N 3.14Å
135M94.9Very high91.5Very high12 Ų1271.3 Ų71.36%0.05936%0.357CS..Hα-helixtrans-59.6-28.1175-170.8567300112.3L123 A132 S133 W137 L138 V139 F171 P172 V175L123-M135 HydrophobicContact CD1-CB 4.35Å; L123-M135 HydrophobicContact CD1-CG 3.89Å; L123-M135 HydrophobicContact CD2-CB 4.01Å; L123-M135 HydrophobicContact CD2-CG 3.89Å; A132-M135 WeakPolarHBondContact O-CB 3.29Å; A132-M135 PolarHBondContact O-N 3.21Å; A132-M135 VanDerWaalsContact O-N 3.09Å; S133-M135 PolarHBondContact O-N 3.25Å; S133-M135 VanDerWaalsContact O-N 3.16Å; M135-W137 PolarHBondContact O-N 2.86Å; M135-L138 HydrophobicContact CE-CD2 4.38Å; M135-L138 PolarHBondContact O-N 3.4Å; M135-L138 HydrophobicContact SD-CB 4.24Å; M135-L138 HydrophobicContact SD-CD2 4.34Å; M135-L138 HydrophobicContact SD-CG 4.49Å; M135-V139 PolarHBondContact O-N 2.95Å; M135-V139 VanDerWaalsContact O-N 3.08Å; M135-F171 HydrophobicContact CE-CD1 3.81Å; M135-F171 HydrophobicContact CE-CE1 3.65Å; M135-F171 HydrophobicContact CE-CG 4.43Å; M135-F171 HydrophobicContact CE-CZ 4.12Å; M135-F171 HydrophobicContact SD-CD1 4.28Å; M135-F171 HydrophobicContact SD-CE1 4.39Å; M135-P172 HydrophobicContact CG-CB 4Å; M135-P172 HydrophobicContact SD-CB 3.96Å; M135-P172 HydrophobicContact SD-CG 4Å; M135-V175 HydrophobicContact CB-CG1 4.42Å; M135-V175 HydrophobicContact CB-CG2 4.23Å; M135-V175 HydrophobicContact CE-CG2 3.53Å; M135-V175 HydrophobicContact CG-CB 4.4Å; M135-V175 HydrophobicContact CG-CG2 4.19Å
136R94.1Very high91.6Very high51 Ų5169.3 Ų69.319%0.19235%0.347CS..Hα-helixtrans-52.9-42.8174.3-69.6175.2-172.5-149.70.5111.7L123 N124 S133 H134 V139L123-R136 HydrophobicContact CB-CG 3.7Å; L123-R136 PolarHBondContact O-NE 3.49Å; L123-R136 PolarHBondContact O-NH2 3.38Å; N124-R136 VanDerWaalsContact CA-CZ 3.48Å; N124-R136 PolarHBondContact O-NH2 3.12Å; S133-R136 WeakPolarHBondContact O-CB 3.25Å; S133-R136 WeakPolarHBondContact O-CG 3.31Å; S133-R136 PolarHBondContact O-N 3.41Å; S133-R136 VanDerWaalsContact O-N 3.13Å; H134-R136 PolarHBondContact O-N 2.98Å; R136-V139 WeakPolarHBondContact O-CG1 3.23Å
137W95.1Very high91.8Very high181 Ų18169.6 Ų69.669%0.68635%0.351SS*.Hα-helixtrans-86.9-37.7-178.6-56.9113.3000112.1H134 M135 V139 W140 I141H134-W137 PolarHBondContact O-N 2.88Å; H134-W137 VanDerWaalsContact O-N 3.12Å; M135-W137 PolarHBondContact O-N 2.86Å; W137-V139 VanDerWaalsContact C-N 3.29Å; W137-V139 PolarHBondContact O-N 3.28Å; W137-W140 PolarHBondContact O-N 3.07Å; W137-W140 VanDerWaalsContact O-N 3.17Å; W137-I141 PolarHBondContact O-N 3.16Å; W137-I141 VanDerWaalsContact O-N 3.1Å
138L96.4Very high92.2Very high66 Ų6665.5 Ų65.535%0.34633%0.334SS..Hα-helixtrans-62.5-36.8-176.8-171.552.2000112.2H134 M135 W140 I141 M142 F171H134-L138 PolarHBondContact O-N 3.41Å; H134-L138 VanDerWaalsContact O-N 3.14Å; M135-L138 HydrophobicContact CE-CD2 4.38Å; M135-L138 PolarHBondContact O-N 3.4Å; M135-L138 HydrophobicContact SD-CB 4.24Å; M135-L138 HydrophobicContact SD-CD2 4.34Å; M135-L138 HydrophobicContact SD-CG 4.49Å; L138-W140 VanDerWaalsContact C-N 3.33Å; L138-W140 PolarHBondContact O-N 2.9Å; L138-I141 PolarHBondContact O-N 3.29Å; L138-M142 WeakPolarHBondContact O-CG 3.38Å; L138-M142 PolarHBondContact O-N 3.5Å; L138-F171 HydrophobicContact CD2-CE1 3.57Å; L138-F171 HydrophobicContact CD2-CZ 4.31Å; L138-F171 HydrophobicContact CG-CE1 4.33Å
139V97Very high92.6Very high0 Ų065.3 Ų65.30%033%0.331CS..Hα-helixtrans-63.1-38.5176.874.40000112.4A116 Y119 L123 M135 R136 W137 M142 A143 M168 P172A116-V139 HydrophobicContact CB-CG1 4.4Å; A116-V139 HydrophobicContact CB-CG2 3.98Å; Y119-V139 HydrophobicContact CD2-CG2 4.28Å; L123-V139 HydrophobicContact CD1-CG1 4.14Å; M135-V139 PolarHBondContact O-N 2.95Å; M135-V139 VanDerWaalsContact O-N 3.08Å; R136-V139 WeakPolarHBondContact O-CG1 3.23Å; W137-V139 VanDerWaalsContact C-N 3.29Å; W137-V139 PolarHBondContact O-N 3.28Å; V139-M142 HydrophobicContact CB-CE 4.23Å; V139-M142 HydrophobicContact CG2-CE 4.22Å; V139-M142 PolarHBondContact O-N 3.31Å; V139-A143 PolarHBondContact O-N 2.92Å; V139-M168 HydrophobicContact CG2-CE 3.83Å; V139-M168 WeakPolarHBondContact O-CE 3.48Å; V139-P172 HydrophobicContact CB-CG 4.34Å; V139-P172 HydrophobicContact CG2-CG 3.87Å
140W97.8Very high93.1Very high79 Ų7963.3 Ų63.330%0.29931%0.31SS..Hα-helixtrans-69.9-38.2175.5-67.6108.8000112.4I71 F113 A116 W137 L138 M142 A143 S144I71-W140 HydrophobicContact CD1-CZ2 4.46Å; I71-W140 HydrophobicContact CG2-CH2 3.86Å; I71-W140 HydrophobicContact CG2-CZ2 3.64Å; F113-W140 HydrophobicContact CD1-CZ3 4.03Å; F113-W140 HydrophobicContact CE1-CZ3 4.5Å; A116-W140 HydrophobicContact CB-CD2 4.11Å; A116-W140 HydrophobicContact CB-CE3 3.91Å; A116-W140 HydrophobicContact CB-CH2 4.28Å; A116-W140 HydrophobicContact CB-CZ2 4.45Å; A116-W140 HydrophobicContact CB-CZ3 4.01Å; W137-W140 PolarHBondContact O-N 3.07Å; W137-W140 VanDerWaalsContact O-N 3.17Å; L138-W140 VanDerWaalsContact C-N 3.33Å; L138-W140 PolarHBondContact O-N 2.9Å; W140-M142 VanDerWaalsContact C-N 3.33Å; W140-M142 PolarHBondContact O-N 3.19Å; W140-A143 WeakPolarHBondContact O-CB 3.05Å; W140-A143 PolarHBondContact O-N 3.38Å; W140-S144 PolarHBondContact O-N 2.86Å; W140-S144 PolarHBondContact O-OG 3.27Å; W140-S144 VanDerWaalsContact O-OG 3.06Å
141I97.6Very high93.5Very high102 Ų10264.2 Ų64.252%0.52330%0.304SS..Hα-helixtrans-59.6-46173.1-66.1170000110.1W137 L138 A143 S144 V145W137-I141 PolarHBondContact O-N 3.16Å; W137-I141 VanDerWaalsContact O-N 3.1Å; L138-I141 PolarHBondContact O-N 3.29Å; I141-A143 VanDerWaalsContact C-N 3.32Å; I141-A143 PolarHBondContact O-N 3.5Å; I141-S144 PolarHBondContact O-N 2.75Å; I141-V145 HydrophobicContact CG2-CG2 4.45Å; I141-V145 WeakPolarHBondContact O-CG2 3.36Å; I141-V145 PolarHBondContact O-N 3.45Å
142M97.1Very high94.1Very high37 Ų3760.3 Ų60.318%0.18229%0.293CS..Hα-helixtrans-59.6-42.6175.2-69.5-171.8-66.800111.8L138 V139 W140 S144 V145 G146 M168 F171 P172L138-M142 WeakPolarHBondContact O-CG 3.38Å; L138-M142 PolarHBondContact O-N 3.5Å; V139-M142 HydrophobicContact CB-CE 4.23Å; V139-M142 HydrophobicContact CG2-CE 4.22Å; V139-M142 PolarHBondContact O-N 3.31Å; W140-M142 VanDerWaalsContact C-N 3.33Å; W140-M142 PolarHBondContact O-N 3.19Å; M142-S144 PolarHBondContact O-N 3.48Å; M142-V145 PolarHBondContact O-N 3Å; M142-G146 PolarHBondContact O-N 3.2Å; M142-M168 HydrophobicContact CB-CG 3.95Å; M142-M168 HydrophobicContact CB-SD 4.29Å; M142-M168 HydrophobicContact CE-CG 4.2Å; M142-M168 HydrophobicContact SD-CG 4.46Å; M142-F171 HydrophobicContact CE-CD1 3.97Å; M142-F171 HydrophobicContact SD-CD1 3.95Å; M142-P172 HydrophobicContact CE-CG 3.83Å
143A97.4Very high94.3Very high0 Ų063.3 Ų63.30%030%0.302CS..Hα-helixtrans-60.9-44.7176.700000112.1A116 V139 W140 I141 G146 T147 M168A116-A143 HydrophobicContact CB-CB 4Å; V139-A143 PolarHBondContact O-N 2.92Å; W140-A143 WeakPolarHBondContact O-CB 3.05Å; W140-A143 PolarHBondContact O-N 3.38Å; I141-A143 VanDerWaalsContact C-N 3.32Å; I141-A143 PolarHBondContact O-N 3.5Å; A143-G146 PolarHBondContact O-N 3.47Å; A143-T147 WeakPolarHBondContact O-CB 3.31Å; A143-T147 PolarHBondContact O-N 2.97Å; A143-T147 PolarHBondContact O-OG1 2.83Å; A143-M168 HydrophobicContact CB-CE 3.54Å; A143-M168 HydrophobicContact CB-SD 4.39Å
144S97.3Very high94.2Very high59 Ų5963.1 Ų63.141%0.41330%0.297SS..Hα-helixtrans-64-44.9177.6-59.70000111.6W140 I141 M142 G146 T147 I148W140-S144 PolarHBondContact O-N 2.86Å; W140-S144 PolarHBondContact O-OG 3.27Å; W140-S144 VanDerWaalsContact O-OG 3.06Å; I141-S144 PolarHBondContact O-N 2.75Å; M142-S144 PolarHBondContact O-N 3.48Å; S144-G146 PolarHBondContact O-N 3.38Å; S144-T147 WeakPolarHBondContact O-CB 3.4Å; S144-T147 PolarHBondContact O-N 3.47Å; S144-I148 WeakPolarHBondContact O-CB 3.46Å; S144-I148 VanDerWaalsContact O-CG1 3.26Å; S144-I148 WeakPolarHBondContact O-CG1 3.26Å; S144-I148 PolarHBondContact O-N 3.43Å
145V96Very high93.6Very high89 Ų8959.3 Ų59.354%0.53928%0.279SS..Hα-helixtrans-61.4-44.4176.3171.50000111I141 M142 T147 I148 Y149I141-V145 HydrophobicContact CG2-CG2 4.45Å; I141-V145 WeakPolarHBondContact O-CG2 3.36Å; I141-V145 PolarHBondContact O-N 3.45Å; M142-V145 PolarHBondContact O-N 3Å; V145-T147 VanDerWaalsContact C-N 3.34Å; V145-T147 PolarHBondContact O-N 3.09Å; V145-I148 PolarHBondContact O-N 3.18Å; V145-Y149 WeakPolarHBondContact O-CB 3.05Å; V145-Y149 PolarHBondContact O-N 2.96Å
146G94.9Very high93Very high3 Ų366.6 Ų66.63%0.03131%0.306CS..Hα-helixtrans-61.2-41.3175.300000113Y112 M142 A143 S144 Y149 V150Y112-G146 WeakPolarHBondContact CE2-O 3.47Å; M142-G146 PolarHBondContact O-N 3.2Å; A143-G146 PolarHBondContact O-N 3.47Å; S144-G146 PolarHBondContact O-N 3.38Å; G146-Y149 WeakPolarHBondContact O-CB 3.49Å; G146-Y149 PolarHBondContact O-N 2.92Å; G146-V150 WeakPolarHBondContact O-CG2 3.5Å; G146-V150 PolarHBondContact O-N 3.28Å
147T94.4Very high92.6Very high25 Ų2569.2 Ų69.215%0.15332%0.317CS..Hα-helixtrans-63.1-46.9175.8-60.90000111.5M109 F113 A143 S144 V145 Y149 V150 F151M109-T147 HydrophobicContact CB-CG2 4.37Å; M109-T147 HydrophobicContact CE-CG2 4.25Å; M109-T147 HydrophobicContact CG-CG2 3.93Å; M109-T147 HydrophobicContact SD-CG2 3.83Å; F113-T147 HydrophobicContact CE2-CG2 4.03Å; F113-T147 VanDerWaalsContact CE2-OG1 3.24Å; F113-T147 WeakPolarHBondContact CE2-OG1 3.43Å; A143-T147 WeakPolarHBondContact O-CB 3.31Å; A143-T147 PolarHBondContact O-N 2.97Å; A143-T147 PolarHBondContact O-OG1 2.83Å; S144-T147 WeakPolarHBondContact O-CB 3.4Å; S144-T147 PolarHBondContact O-N 3.47Å; V145-T147 VanDerWaalsContact C-N 3.34Å; V145-T147 PolarHBondContact O-N 3.09Å; T147-Y149 VanDerWaalsContact C-N 3.27Å; T147-Y149 PolarHBondContact O-N 3.17Å; T147-V150 PolarHBondContact O-N 3.24Å; T147-F151 PolarHBondContact O-N 3.01Å
148I94.8Very high92.1Very high95 Ų9562.6 Ų62.649%0.48729%0.293SS..Hα-helixtrans-58.1-42.9174.8-72166.6000110.3S144 V145 F151 F152S144-I148 WeakPolarHBondContact O-CB 3.46Å; S144-I148 VanDerWaalsContact O-CG1 3.26Å; S144-I148 WeakPolarHBondContact O-CG1 3.26Å; S144-I148 PolarHBondContact O-N 3.43Å; V145-I148 PolarHBondContact O-N 3.18Å; I148-F151 WeakPolarHBondContact O-CB 3.29Å; I148-F151 PolarHBondContact O-N 3.43Å; I148-F152 HydrophobicContact CG2-CD2 3.64Å; I148-F152 HydrophobicContact CG2-CE2 3.72Å; I148-F152 VanDerWaalsContact O-CD2 3.27Å; I148-F152 WeakPolarHBondContact O-CD2 3.23Å; I148-F152 PolarHBondContact O-N 3.26Å
149Y93.4Very high91.7Very high30 Ų3064.7 Ų64.712%0.11830%0.304CS..Hα-helixtrans-60.3-46.8176.3172.8-89.3000112.1V145 G146 T147 F151 F152 F153 Y157 V160 E161V145-Y149 WeakPolarHBondContact O-CB 3.05Å; V145-Y149 PolarHBondContact O-N 2.96Å; G146-Y149 WeakPolarHBondContact O-CB 3.49Å; G146-Y149 PolarHBondContact O-N 2.92Å; T147-Y149 VanDerWaalsContact C-N 3.27Å; T147-Y149 PolarHBondContact O-N 3.17Å; Y149-F151 VanDerWaalsContact C-N 3.26Å; Y149-F151 PolarHBondContact O-N 3.37Å; Y149-F152 PolarHBondContact O-N 3.41Å; Y149-F153 HydrophobicContact CD2-CB 4.2Å; Y149-F153 AromaticContact CD2-CD2 3.57Å; Y149-F153 HydrophobicContact CD2-CD2 3.57Å; Y149-F153 HydrophobicContact CD2-CE2 4.32Å; Y149-F153 HydrophobicContact CD2-CG 4.18Å; Y149-F153 HydrophobicContact CE1-CB 4.4Å; Y149-F153 HydrophobicContact CE2-CB 3.75Å; Y149-F153 AromaticContact CE2-CD2 3.75Å; Y149-F153 HydrophobicContact CE2-CD2 3.75Å; Y149-F153 AromaticContact CE2-CG 3.91Å; Y149-F153 HydrophobicContact CE2-CG 3.91Å; Y149-F153 HydrophobicContact CG-CD2 4.35Å; Y149-F153 WeakPolarHBondContact O-CB 3.37Å; Y149-F153 PolarHBondContact O-N 2.87Å; Y149-Y157 VanDerWaalsContact OH-CB 3.29Å; Y149-Y157 WeakPolarHBondContact OH-CB 3.46Å; Y149-Y157 PolarHBondContact OH-O 3.27Å; Y149-V160 HydrophobicContact CE2-CB 4.45Å; Y149-V160 HydrophobicContact CE2-CG1 3.86Å; Y149-E161 HydrophobicContact CD1-CG 4.37Å; Y149-E161 HydrophobicContact CE1-CB 3.83Å; Y149-E161 HydrophobicContact CE1-CG 4.06Å
150V92.1Very high91.4Very high0 Ų067.7 Ų67.70%032%0.322CS..Hα-helixtrans-61.8-37.1176.4174.70000111.3R108 M109 Y112 G146 T147 H154 E161R108-V150 HydrophobicContact CB-CG1 3.95Å; R108-V150 HydrophobicContact CB-CG2 4.34Å; M109-V150 HydrophobicContact CE-CB 4.1Å; M109-V150 HydrophobicContact CE-CG1 3.9Å; M109-V150 HydrophobicContact CG-CB 3.99Å; M109-V150 HydrophobicContact CG-CG1 3.81Å; Y112-V150 HydrophobicContact CD2-CG2 4.28Å; Y112-V150 HydrophobicContact CE2-CG2 3.59Å; G146-V150 WeakPolarHBondContact O-CG2 3.5Å; G146-V150 PolarHBondContact O-N 3.28Å; T147-V150 PolarHBondContact O-N 3.24Å; V150-H154 WeakPolarHBondContact O-CA 3.43Å; V150-H154 PolarHBondContact O-N 2.97Å; V150-E161 HydrophobicContact CG2-CG 4.35Å
151F90.5Very high91Very high127 Ų12764 Ų6456%0.55731%0.308SS*.Hα-helixtrans-63.1-45.8178.4-170.3-97.3000112.4M105 M109 T147 I148 Y149M105-F151 HydrophobicContact CE-CB 4.4Å; M105-F151 HydrophobicContact CE-CD2 3.65Å; M105-F151 HydrophobicContact CE-CE2 4.26Å; M105-F151 HydrophobicContact CE-CG 4.26Å; M109-F151 HydrophobicContact CE-CB 3.75Å; M109-F151 HydrophobicContact CE-CD2 4.08Å; M109-F151 HydrophobicContact CE-CG 4.43Å; T147-F151 PolarHBondContact O-N 3.01Å; I148-F151 WeakPolarHBondContact O-CB 3.29Å; I148-F151 PolarHBondContact O-N 3.43Å; Y149-F151 VanDerWaalsContact C-N 3.26Å; Y149-F151 PolarHBondContact O-N 3.37Å
152F91.1Very high90.7Very high145 Ų14560.3 Ų60.364%0.63629%0.29SS*.Hα-helixtrans-87.9-31.6-176.1-72.7-65.7000115I148 Y149I148-F152 HydrophobicContact CG2-CD2 3.64Å; I148-F152 HydrophobicContact CG2-CE2 3.72Å; I148-F152 VanDerWaalsContact O-CD2 3.27Å; I148-F152 WeakPolarHBondContact O-CD2 3.23Å; I148-F152 PolarHBondContact O-N 3.26Å; Y149-F152 PolarHBondContact O-N 3.41Å
153F88Confident90.5Very high83 Ų8363 Ų6336%0.36430%0.304SS..Hα-helixtrans-118.124.3-170.4-60.4-78.7000113.5Y149 E155 R156 Y157Y149-F153 HydrophobicContact CD2-CB 4.2Å; Y149-F153 AromaticContact CD2-CD2 3.57Å; Y149-F153 HydrophobicContact CD2-CD2 3.57Å; Y149-F153 HydrophobicContact CD2-CE2 4.32Å; Y149-F153 HydrophobicContact CD2-CG 4.18Å; Y149-F153 HydrophobicContact CE1-CB 4.4Å; Y149-F153 HydrophobicContact CE2-CB 3.75Å; Y149-F153 AromaticContact CE2-CD2 3.75Å; Y149-F153 HydrophobicContact CE2-CD2 3.75Å; Y149-F153 AromaticContact CE2-CG 3.91Å; Y149-F153 HydrophobicContact CE2-CG 3.91Å; Y149-F153 HydrophobicContact CG-CD2 4.35Å; Y149-F153 WeakPolarHBondContact O-CB 3.37Å; Y149-F153 PolarHBondContact O-N 2.87Å; F153-E155 PolarHBondContact O-N 3.25Å; F153-E155 VanDerWaalsContact O-N 3.17Å; F153-R156 VanDerWaalsContact O-CB 3.31Å; F153-R156 WeakPolarHBondContact O-CB 3.38Å; F153-R156 PolarHBondContact O-N 3.1Å; F153-Y157 HydrophobicContact CD1-CD2 4.32Å; F153-Y157 AromaticContact CD1-CE2 3.95Å; F153-Y157 HydrophobicContact CD1-CE2 3.95Å; F153-Y157 HydrophobicContact CE1-CE2 4.45Å
154H84.8Confident90.3Very high35 Ų3565.1 Ų65.116%0.16232%0.318CS..THydrogen-bonded Turntrans-37.7118.6-177.2-172.675.9000113.6H101 H104 M105 V150 R156H101-H154 AromaticContact CE1-CD2 3.3Å; H101-H154 PolarHBondContact CE1-CD2 3.06Å; H101-H154 AromaticContact CE1-NE2 3.58Å; H101-H154 AromaticContact ND1-CD2 3.89Å; H101-H154 AromaticContact ND1-NE2 3.7Å; H104-H154 AromaticContact CE1-CE1 3.86Å; H104-H154 AromaticContact CE1-NE2 3.81Å; H104-H154 AromaticContact CG-CE1 3.95Å; H104-H154 AromaticContact ND1-CE1 3.14Å; H104-H154 PolarHBondContact ND1-CE1 2.87Å; H104-H154 AromaticContact ND1-NE2 3.07Å; H104-H154 PolarHBondContact ND1-NE2 3.16Å; M105-H154 VanDerWaalsContact CG-CE1 3.47Å; M105-H154 WeakPolarHBondContact CG-CE1 3.4Å; M105-H154 VanDerWaalsContact CG-ND1 3.29Å; M105-H154 WeakPolarHBondContact CG-ND1 3.45Å; V150-H154 WeakPolarHBondContact O-CA 3.43Å; V150-H154 PolarHBondContact O-N 2.97Å; H154-R156 PolarHBondContact O-N 2.75Å
155E80.6Confident90.2Very high26 Ų2663.3 Ų63.312%0.12130%0.303CS..THydrogen-bonded Turntrans55.5-0.3-178.3-70.5-159.493.300117.7R27 H104 F153 K158R27-E155 WeakPolarHBondContact CA-OE1 3.38Å; R27-E155 VanDerWaalsContact CB-OE2 3.31Å; R27-E155 WeakPolarHBondContact CB-OE2 3.19Å; R27-E155 WeakPolarHBondContact CD-OE2 3.45Å; R27-E155 VanDerWaalsContact CG-OE2 3.3Å; R27-E155 WeakPolarHBondContact CG-OE2 3.41Å; H104-E155 VanDerWaalsContact CE1-CD 3.4Å; H104-E155 IonicContact CE1-OE1 3.92Å; H104-E155 IonicContact CE1-OE2 3.18Å; H104-E155 PolarHBondContact CE1-OE2 3.44Å; H104-E155 IonicContact ND1-OE2 2.7Å; F153-E155 PolarHBondContact O-N 3.25Å; F153-E155 VanDerWaalsContact O-N 3.17Å; E155-K158 VanDerWaalsContact OE1-CE 3.23Å; E155-K158 WeakPolarHBondContact OE1-CE 3.43Å; E155-K158 IonicContact OE1-NZ 3Å; E155-K158 PolarHBondContact OE1-NZ 3.4Å
156R82.1Confident90.2Very high165 Ų16561.6 Ų61.662%0.62329%0.29SS*.THydrogen-bonded Turntrans-72-45.4-173.8-169.3175.6177.6172.70112.3F153 H154F153-R156 VanDerWaalsContact O-CB 3.31Å; F153-R156 WeakPolarHBondContact O-CB 3.38Å; F153-R156 PolarHBondContact O-N 3.1Å; H154-R156 PolarHBondContact O-N 2.75Å
157Y86.1Confident90.3Very high107 Ų10765.6 Ų65.642%0.4231%0.313SS..THydrogen-bonded Turntrans-124.977.1176.6-41.1-77000111.4Y149 F153 L159 V160 E161Y149-Y157 VanDerWaalsContact OH-CB 3.29Å; Y149-Y157 WeakPolarHBondContact OH-CB 3.46Å; Y149-Y157 PolarHBondContact OH-O 3.27Å; F153-Y157 HydrophobicContact CD1-CD2 4.32Å; F153-Y157 AromaticContact CD1-CE2 3.95Å; F153-Y157 HydrophobicContact CD1-CE2 3.95Å; F153-Y157 HydrophobicContact CE1-CE2 4.45Å; Y157-L159 PolarHBondContact O-N 3.26Å; Y157-L159 VanDerWaalsContact O-N 3.15Å; Y157-V160 PolarHBondContact O-N 3.38Å; Y157-V160 VanDerWaalsContact O-N 3.09Å; Y157-E161 PolarHBondContact O-N 3.09Å
158K84.8Confident90.3Very high42 Ų4264.6 Ų64.618%0.18331%0.307CS..Hα-helixtrans-56.6-30-179.1-60.1-175.9178.3-168.80113.8K26 E155 L162K26-K158 PolarHBondContact O-NZ 3.4Å; E155-K158 VanDerWaalsContact OE1-CE 3.23Å; E155-K158 WeakPolarHBondContact OE1-CE 3.43Å; E155-K158 IonicContact OE1-NZ 3Å; E155-K158 PolarHBondContact OE1-NZ 3.4Å; K158-L162 PolarHBondContact O-N 2.98Å
159L87.9Confident90.3Very high109 Ų10961 Ų6157%0.57129%0.293SS*.Hα-helixtrans-72.3-40.8177.3-177.863.5000112Y157 E161 L162 L163Y157-L159 PolarHBondContact O-N 3.26Å; Y157-L159 VanDerWaalsContact O-N 3.15Å; L159-E161 VanDerWaalsContact C-N 3.31Å; L159-E161 PolarHBondContact O-N 3.4Å; L159-L162 PolarHBondContact O-N 3.07Å; L159-L163 HydrophobicContact CG-CD1 4.4Å; L159-L163 WeakPolarHBondContact O-CG 3.38Å; L159-L163 PolarHBondContact O-N 3.24Å
160V89.9Confident90.4Very high63 Ų6364.9 Ų64.938%0.38231%0.311SS..Hα-helixtrans-62.9-44.1178176.10000109.7Y149 Y157 L162 L163 C164Y149-V160 HydrophobicContact CE2-CB 4.45Å; Y149-V160 HydrophobicContact CE2-CG1 3.86Å; Y157-V160 PolarHBondContact O-N 3.38Å; Y157-V160 VanDerWaalsContact O-N 3.09Å; V160-L162 VanDerWaalsContact C-N 3.33Å; V160-L162 PolarHBondContact O-N 3.32Å; V160-L163 WeakPolarHBondContact O-CB 3.23Å; V160-L163 PolarHBondContact O-N 3.16Å; V160-L163 VanDerWaalsContact O-N 3.16Å; V160-C164 PolarHBondContact O-N 2.8Å; V160-C164 PolarHBondContact O-SG 3.4Å
161E89.4Confident90.5Very high3 Ų369 Ų691%0.01433%0.329CS..Hα-helixtrans-59.4-44176-158.7-175.8120.800112.5R108 Y112 Y149 V150 Y157 L159 L163 C164 Y165R108-E161 IonicContact CZ-OE1 3.95Å; R108-E161 IonicContact CZ-OE2 3.08Å; R108-E161 VanDerWaalsContact NE-CD 3.29Å; R108-E161 IonicContact NE-OE1 3.82Å; R108-E161 PolarHBondContact NE-OE1 3.07Å; R108-E161 IonicContact NE-OE2 3.92Å; R108-E161 PolarHBondContact NE-OE2 3.36Å; R108-E161 IonicContact NH2-OE1 2.79Å; R108-E161 PolarHBondContact NH2-OE1 2.87Å; R108-E161 IonicContact NH2-OE2 3.54Å; R108-E161 PolarHBondContact NH2-OE2 3.17Å; Y112-E161 HydrophobicContact CE2-CG 4.47Å; Y112-E161 WeakPolarHBondContact OH-CG 3.21Å; Y112-E161 PolarHBondContact OH-O 3.31Å; Y149-E161 HydrophobicContact CD1-CG 4.37Å; Y149-E161 HydrophobicContact CE1-CB 3.83Å; Y149-E161 HydrophobicContact CE1-CG 4.06Å; V150-E161 HydrophobicContact CG2-CG 4.35Å; Y157-E161 PolarHBondContact O-N 3.09Å; L159-E161 VanDerWaalsContact C-N 3.31Å; L159-E161 PolarHBondContact O-N 3.4Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 3.18Å; E161-C164 WeakPolarHBondContact O-CB 3.34Å; E161-C164 PolarHBondContact O-N 2.99Å; E161-Y165 HydrophobicContact CG-CE2 3.7Å; E161-Y165 VanDerWaalsContact O-CD2 3.31Å; E161-Y165 WeakPolarHBondContact O-CD2 3.34Å; E161-Y165 PolarHBondContact O-N 3.04Å; E161-Y165 WeakPolarHBondContact OE1-CE2 3.2Å; E161-Y165 PolarHBondContact OE1-OH 3.44Å
162L91.6Very high90.6Very high24 Ų2463 Ų6313%0.12630%0.303CS..Hα-helixtrans-61.1-42.2175.8-175.164.6000111.8K158 L159 V160 C164 Y165 I166 M199 F202K158-L162 PolarHBondContact O-N 2.98Å; L159-L162 PolarHBondContact O-N 3.07Å; V160-L162 VanDerWaalsContact C-N 3.33Å; V160-L162 PolarHBondContact O-N 3.32Å; L162-C164 VanDerWaalsContact C-N 3.33Å; L162-Y165 PolarHBondContact O-N 3.2Å; L162-I166 HydrophobicContact CG-CD1 4.18Å; L162-I166 VanDerWaalsContact O-CG1 3.31Å; L162-I166 WeakPolarHBondContact O-CG1 3.26Å; L162-I166 PolarHBondContact O-N 3.48Å; L162-M199 HydrophobicContact CD1-CB 4.47Å; L162-M199 HydrophobicContact CD1-CG 4.04Å; L162-M199 HydrophobicContact CD1-SD 3.57Å; L162-M199 VanDerWaalsContact CD1-SD 3.57Å; L162-M199 HydrophobicContact CG-SD 4.32Å; L162-F202 HydrophobicContact CD1-CD1 4.41Å
163L93.5Very high90.7Very high92 Ų9256.8 Ų56.848%0.48228%0.278SS..Hα-helixtrans-63.1-39.9175.4-70.5172.4000111.6L159 V160 E161 I166 V167L159-L163 HydrophobicContact CG-CD1 4.4Å; L159-L163 WeakPolarHBondContact O-CG 3.38Å; L159-L163 PolarHBondContact O-N 3.24Å; V160-L163 WeakPolarHBondContact O-CB 3.23Å; V160-L163 PolarHBondContact O-N 3.16Å; V160-L163 VanDerWaalsContact O-N 3.16Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 3.18Å; L163-I166 PolarHBondContact O-N 3.48Å; L163-V167 WeakPolarHBondContact O-CG2 3.25Å; L163-V167 PolarHBondContact O-N 3.17Å
164C94.3Very high90.9Very high45 Ų4558 Ų5830%0.30429%0.288SS..Hα-helixtrans-61-44.5174.7-67.30000111.6Y112 V160 E161 L162 I166 V167 M168Y112-C164 HydrophobicContact CE1-CB 3.9Å; Y112-C164 VanDerWaalsContact OH-CB 3.29Å; Y112-C164 WeakPolarHBondContact OH-CB 3.33Å; V160-C164 PolarHBondContact O-N 2.8Å; V160-C164 PolarHBondContact O-SG 3.4Å; E161-C164 WeakPolarHBondContact O-CB 3.34Å; E161-C164 PolarHBondContact O-N 2.99Å; L162-C164 VanDerWaalsContact C-N 3.33Å; C164-I166 VanDerWaalsContact C-N 3.35Å; C164-I166 PolarHBondContact O-N 3.46Å; C164-V167 PolarHBondContact O-N 2.83Å; C164-M168 VanDerWaalsContact O-CB 3.29Å; C164-M168 WeakPolarHBondContact O-CB 3.44Å; C164-M168 PolarHBondContact O-N 3.42Å
165Y94.7Very high91.3Very high21 Ų2157.5 Ų57.58%0.08229%0.287CS..Hα-helixtrans-59.9-43.5174-63.2-44.2000112.3R108 I111 Y112 I115 E161 L162 M168 G169R108-Y165 PolarHBondContact O-OH 2.95Å; R108-Y165 VanDerWaalsContact O-OH 3.08Å; I111-Y165 HydrophobicContact CB-CD1 4.39Å; I111-Y165 HydrophobicContact CB-CE1 3.78Å; I111-Y165 HydrophobicContact CD1-CE2 4.48Å; I111-Y165 HydrophobicContact CG2-CD1 3.67Å; I111-Y165 HydrophobicContact CG2-CE1 3.57Å; I111-Y165 HydrophobicContact CG2-CG 4.25Å; Y112-Y165 AromaticContact CD1-CD1 3.94Å; Y112-Y165 HydrophobicContact CD1-CD1 3.94Å; Y112-Y165 AromaticContact CD1-CE1 3.88Å; Y112-Y165 HydrophobicContact CD1-CE1 3.88Å; Y112-Y165 HydrophobicContact CD2-CD1 4.34Å; Y112-Y165 AromaticContact CD2-CE1 3.46Å; Y112-Y165 HydrophobicContact CD2-CE1 3.46Å; Y112-Y165 VanDerWaalsContact CD2-CE1 3.46Å; Y112-Y165 AromaticContact CE1-CD1 3.57Å; Y112-Y165 HydrophobicContact CE1-CD1 3.57Å; Y112-Y165 AromaticContact CE1-CE1 3.59Å; Y112-Y165 HydrophobicContact CE1-CE1 3.59Å; Y112-Y165 AromaticContact CE2-CD1 4Å; Y112-Y165 HydrophobicContact CE2-CD1 4Å; Y112-Y165 AromaticContact CE2-CE1 3.12Å; Y112-Y165 HydrophobicContact CE2-CE1 3.12Å; Y112-Y165 AromaticContact CE2-CZ 3.59Å; Y112-Y165 WeakPolarHBondContact CE2-OH 3.24Å; Y112-Y165 HydrophobicContact CG-CD1 4.3Å; Y112-Y165 AromaticContact CG-CE1 3.82Å; Y112-Y165 HydrophobicContact CG-CE1 3.82Å; Y112-Y165 AromaticContact CZ-CD1 3.6Å; Y112-Y165 AromaticContact CZ-CE1 3.19Å; Y112-Y165 AromaticContact CZ-CZ 3.82Å; I115-Y165 HydrophobicContact CD1-CD1 4.16Å; E161-Y165 HydrophobicContact CG-CE2 3.7Å; E161-Y165 VanDerWaalsContact O-CD2 3.31Å; E161-Y165 WeakPolarHBondContact O-CD2 3.34Å; E161-Y165 PolarHBondContact O-N 3.04Å; E161-Y165 WeakPolarHBondContact OE1-CE2 3.2Å; E161-Y165 PolarHBondContact OE1-OH 3.44Å; L162-Y165 PolarHBondContact O-N 3.2Å; Y165-M168 PolarHBondContact O-N 2.96Å; Y165-G169 PolarHBondContact O-N 3.41Å
166I95.4Very high91.7Very high54 Ų5456.2 Ų56.228%0.27728%0.281SS..Hα-helixtrans-63.9-50.3178.6-68.4168000110.5L162 L163 C164 M168 G169 F170 M199L162-I166 HydrophobicContact CG-CD1 4.18Å; L162-I166 VanDerWaalsContact O-CG1 3.31Å; L162-I166 WeakPolarHBondContact O-CG1 3.26Å; L162-I166 PolarHBondContact O-N 3.48Å; L163-I166 PolarHBondContact O-N 3.48Å; C164-I166 VanDerWaalsContact C-N 3.35Å; C164-I166 PolarHBondContact O-N 3.46Å; I166-M168 VanDerWaalsContact C-N 3.3Å; I166-M168 PolarHBondContact O-N 3.4Å; I166-G169 CarbonylContact O-C 3.31Å; I166-G169 PolarHBondContact O-N 2.83Å; I166-G169 VanDerWaalsContact O-N 3.11Å; I166-F170 HydrophobicContact CG2-CD2 3.77Å; I166-F170 HydrophobicContact CG2-CE2 4.05Å; I166-F170 WeakPolarHBondContact O-CD2 3.25Å; I166-F170 PolarHBondContact O-N 3.07Å; I166-M199 HydrophobicContact CD1-CE 3.85Å; I166-M199 HydrophobicContact CD1-SD 3.7Å; I166-M199 HydrophobicContact CG1-CE 3.71Å; I166-M199 HydrophobicContact CG1-SD 3.5Å; I166-M199 WeakPolarHBondContact CG1-SD 3.44Å
167V96.3Very high92.1Very high86 Ų8652.5 Ų52.552%0.52127%0.273SS..Hα-helixtrans-58-46.8179.6169.20000110.4L163 C164 G169 F170 F171L163-V167 WeakPolarHBondContact O-CG2 3.25Å; L163-V167 PolarHBondContact O-N 3.17Å; C164-V167 PolarHBondContact O-N 2.83Å; V167-G169 VanDerWaalsContact C-N 3.28Å; V167-G169 PolarHBondContact O-N 3.17Å; V167-F170 PolarHBondContact O-N 2.89Å; V167-F171 WeakPolarHBondContact O-CB 3.33Å; V167-F171 PolarHBondContact O-N 3.41Å
168M95.3Very high92.2Very high4 Ų451.6 Ų51.62%0.0228%0.283CS..Hα-helixtrans-67.6-30179.3-160.9-173.6163.600112.7Y112 I115 A116 V139 M142 A143 C164 Y165 I166 P172Y112-M168 HydrophobicContact CD1-SD 3.74Å; Y112-M168 WeakPolarHBondContact O-CE 3.21Å; I115-M168 HydrophobicContact CB-CE 4.12Å; I115-M168 HydrophobicContact CB-SD 4.29Å; I115-M168 HydrophobicContact CG2-CB 4.32Å; I115-M168 HydrophobicContact CG2-CE 4.12Å; I115-M168 HydrophobicContact CG2-CG 3.94Å; I115-M168 HydrophobicContact CG2-SD 4.21Å; A116-M168 HydrophobicContact CB-CE 3.63Å; V139-M168 HydrophobicContact CG2-CE 3.83Å; V139-M168 WeakPolarHBondContact O-CE 3.48Å; M142-M168 HydrophobicContact CB-CG 3.95Å; M142-M168 HydrophobicContact CB-SD 4.29Å; M142-M168 HydrophobicContact CE-CG 4.2Å; M142-M168 HydrophobicContact SD-CG 4.46Å; A143-M168 HydrophobicContact CB-CE 3.54Å; A143-M168 HydrophobicContact CB-SD 4.39Å; C164-M168 VanDerWaalsContact O-CB 3.29Å; C164-M168 WeakPolarHBondContact O-CB 3.44Å; C164-M168 PolarHBondContact O-N 3.42Å; Y165-M168 PolarHBondContact O-N 2.96Å; I166-M168 VanDerWaalsContact C-N 3.3Å; I166-M168 PolarHBondContact O-N 3.4Å; M168-P172 WeakPolarHBondContact O-CD 3.2Å; M168-P172 WeakPolarHBondContact O-CG 3.39Å
169G94.9Very high92.3Very high19 Ų1950.2 Ų50.220%0.19628%0.277CS..Hα-helixtrans-71.9-41.2173.400000113Y119 Y165 I166 V167Y119-G169 PolarHBondContact OH-O 3.34Å; Y165-G169 PolarHBondContact O-N 3.41Å; I166-G169 CarbonylContact O-C 3.31Å; I166-G169 PolarHBondContact O-N 2.83Å; I166-G169 VanDerWaalsContact O-N 3.11Å; V167-G169 VanDerWaalsContact C-N 3.28Å; V167-G169 PolarHBondContact O-N 3.17Å
170F95.6Very high92.2Very high112 Ų11251 Ų5149%0.49129%0.289SS..Hα-helixtrans-89.3-34.1-174.6-82.3-93.2000113.6I166 V167 A173 L174I166-F170 HydrophobicContact CG2-CD2 3.77Å; I166-F170 HydrophobicContact CG2-CE2 4.05Å; I166-F170 WeakPolarHBondContact O-CD2 3.25Å; I166-F170 PolarHBondContact O-N 3.07Å; V167-F170 PolarHBondContact O-N 2.89Å; F170-A173 WeakPolarHBondContact O-CB 3.28Å; F170-A173 PolarHBondContact O-N 3.41Å; F170-L174 PolarHBondContact O-N 3.34Å
171F94.3Very high92Very high88 Ų8851.6 Ų51.639%0.38629%0.29SS..Hα-helixtrans-66.9-46.6-169.3-174.8-119.3000113.9M135 L138 M142 V167 A173 L174M135-F171 HydrophobicContact CE-CD1 3.81Å; M135-F171 HydrophobicContact CE-CE1 3.65Å; M135-F171 HydrophobicContact CE-CG 4.43Å; M135-F171 HydrophobicContact CE-CZ 4.12Å; M135-F171 HydrophobicContact SD-CD1 4.28Å; M135-F171 HydrophobicContact SD-CE1 4.39Å; L138-F171 HydrophobicContact CD2-CE1 3.57Å; L138-F171 HydrophobicContact CD2-CZ 4.31Å; L138-F171 HydrophobicContact CG-CE1 4.33Å; M142-F171 HydrophobicContact CE-CD1 3.97Å; M142-F171 HydrophobicContact SD-CD1 3.95Å; V167-F171 WeakPolarHBondContact O-CB 3.33Å; V167-F171 PolarHBondContact O-N 3.41Å; F171-A173 VanDerWaalsContact C-N 3.28Å; F171-A173 PolarHBondContact O-N 3.16Å; F171-L174 HydrophobicContact CD2-CD1 4.35Å; F171-L174 PolarHBondContact O-N 2.92Å
172P93.2Very high91.9Very high0 Ų056 Ų560%032%0.317CS..Hα-helixtrans-66-29.4171.1-1933.3000113.1Y119 M135 V139 M142 M168 L174 V175 I176Y119-P172 HydrophobicContact CD1-CB 4.1Å; Y119-P172 HydrophobicContact CD2-CB 3.65Å; Y119-P172 HydrophobicContact CD2-CG 3.76Å; Y119-P172 HydrophobicContact CE1-CB 4.27Å; Y119-P172 HydrophobicContact CE2-CB 3.81Å; Y119-P172 HydrophobicContact CE2-CG 3.85Å; Y119-P172 HydrophobicContact CG-CB 3.81Å; Y119-P172 HydrophobicContact CG-CG 4.4Å; M135-P172 HydrophobicContact CG-CB 4Å; M135-P172 HydrophobicContact SD-CB 3.96Å; M135-P172 HydrophobicContact SD-CG 4Å; V139-P172 HydrophobicContact CB-CG 4.34Å; V139-P172 HydrophobicContact CG2-CG 3.87Å; M142-P172 HydrophobicContact CE-CG 3.83Å; M168-P172 WeakPolarHBondContact O-CD 3.2Å; M168-P172 WeakPolarHBondContact O-CG 3.39Å; P172-L174 VanDerWaalsContact C-N 3.27Å; P172-L174 PolarHBondContact O-N 2.83Å; P172-V175 WeakPolarHBondContact O-CB 3.48Å; P172-V175 PolarHBondContact O-N 3.36Å; P172-V175 VanDerWaalsContact O-N 3.14Å; P172-I176 PolarHBondContact O-N 3.09Å
173A92.8Very high91.9Very high14 Ų1459.2 Ų59.212%0.11633%0.331CS..Hα-helixtrans-61.6-35.417700000111.8Y119 F170 F171 V175 I176 L177Y119-A173 HydrophobicContact CE1-CB 4.46Å; F170-A173 WeakPolarHBondContact O-CB 3.28Å; F170-A173 PolarHBondContact O-N 3.41Å; F171-A173 VanDerWaalsContact C-N 3.28Å; F171-A173 PolarHBondContact O-N 3.16Å; A173-V175 PolarHBondContact O-N 2.85Å; A173-I176 PolarHBondContact O-N 2.98Å; A173-I176 VanDerWaalsContact O-N 3.13Å; A173-L177 WeakPolarHBondContact O-CB 3.25Å; A173-L177 WeakPolarHBondContact O-CG 3.45Å; A173-L177 PolarHBondContact O-N 3.22Å
174L92.2Very high91.8Very high110 Ų11055 Ų5558%0.57631%0.31SS*.Hα-helixtrans-58.1-37.9175.9-64176.6000112.3F170 F171 P172 S178F170-L174 PolarHBondContact O-N 3.34Å; F171-L174 HydrophobicContact CD2-CD1 4.35Å; F171-L174 PolarHBondContact O-N 2.92Å; P172-L174 VanDerWaalsContact C-N 3.27Å; P172-L174 PolarHBondContact O-N 2.83Å; L174-S178 PolarHBondContact O-N 3.19Å
175V91.9Very high91.6Very high23 Ų2353.9 Ų53.914%0.13930%0.301CS..Hα-helixtrans-66.9-46.8175.9167.60000110.4L123 L128 A132 M135 P172 A173 L177 S178L123-V175 HydrophobicContact CD2-CG1 4.29Å; L128-V175 HydrophobicContact CD2-CG1 3.72Å; A132-V175 HydrophobicContact CB-CG1 3.78Å; M135-V175 HydrophobicContact CB-CG1 4.42Å; M135-V175 HydrophobicContact CB-CG2 4.23Å; M135-V175 HydrophobicContact CE-CG2 3.53Å; M135-V175 HydrophobicContact CG-CB 4.4Å; M135-V175 HydrophobicContact CG-CG2 4.19Å; P172-V175 WeakPolarHBondContact O-CB 3.48Å; P172-V175 PolarHBondContact O-N 3.36Å; P172-V175 VanDerWaalsContact O-N 3.14Å; A173-V175 PolarHBondContact O-N 2.85Å; V175-L177 PolarHBondContact O-N 3.09Å; V175-S178 PolarHBondContact O-N 2.91Å; V175-S178 VanDerWaalsContact O-N 3.15Å; V175-S178 PolarHBondContact O-OG 3.26Å
176I90.6Very high91.6Very high0 Ų062.4 Ų62.40%033%0.333CS..Hα-helixtrans-65.7-40.2-178.4-64.7165.3000111.6Y119 W122 L123 P172 A173 S178 M179 L188Y119-I176 HydrophobicContact CD1-CD1 3.27Å; Y119-I176 HydrophobicContact CE1-CD1 3.6Å; Y119-I176 HydrophobicContact CG-CD1 4.41Å; W122-I176 HydrophobicContact CB-CD1 3.58Å; W122-I176 HydrophobicContact CB-CG1 4.07Å; W122-I176 HydrophobicContact CD2-CG2 4.48Å; W122-I176 HydrophobicContact CE3-CG2 4.12Å; W122-I176 HydrophobicContact CG-CD1 3.96Å; L123-I176 HydrophobicContact CD2-CG1 4.34Å; P172-I176 PolarHBondContact O-N 3.09Å; A173-I176 PolarHBondContact O-N 2.98Å; A173-I176 VanDerWaalsContact O-N 3.13Å; I176-S178 PolarHBondContact O-N 2.9Å; I176-M179 HydrophobicContact CB-CE 4.41Å; I176-M179 HydrophobicContact CB-SD 4.38Å; I176-M179 HydrophobicContact CG1-CE 3.95Å; I176-M179 HydrophobicContact CG2-SD 4.08Å; I176-M179 VanDerWaalsContact O-CB 3.3Å; I176-M179 WeakPolarHBondContact O-CB 3.29Å; I176-M179 WeakPolarHBondContact O-CG 3.32Å; I176-M179 PolarHBondContact O-N 3.27Å; I176-M179 VanDerWaalsContact O-N 3.12Å; I176-L188 HydrophobicContact CB-CD2 4.32Å; I176-L188 HydrophobicContact CD1-CD2 4.39Å; I176-L188 HydrophobicContact CG2-CD2 3.71Å
177L89.4Confident91.7Very high86 Ų8661.7 Ų61.745%0.4533%0.328SS..Hα-helixtrans-66.4-18.4177.3-68.4173.3000113.3A173 V175 I185 V189A173-L177 WeakPolarHBondContact O-CB 3.25Å; A173-L177 WeakPolarHBondContact O-CG 3.45Å; A173-L177 PolarHBondContact O-N 3.22Å; V175-L177 PolarHBondContact O-N 3.09Å; L177-I185 HydrophobicContact CD2-CD1 4.44Å; L177-I185 HydrophobicContact CD2-CG2 3.44Å; L177-I185 VanDerWaalsContact CD2-CG2 3.44Å; L177-V189 HydrophobicContact CD2-CG2 4.15Å
178S88.4Confident91.6Very high89 Ų8958 Ų5862%0.62231%0.306SS*.THydrogen-bonded Turntrans-90.2-1.5176.474.10000113.9L174 V175 I176L174-S178 PolarHBondContact O-N 3.19Å; V175-S178 PolarHBondContact O-N 2.91Å; V175-S178 VanDerWaalsContact O-N 3.15Å; V175-S178 PolarHBondContact O-OG 3.26Å; I176-S178 PolarHBondContact O-N 2.9Å
179M86.8Confident91.6Very high13 Ų1360.6 Ų60.66%0.06432%0.321CS..SBendtrans-69.6147.1-178.1-70.2173172.400112R126 L128 I176 N181R126-M179 HydrophobicContact CB-CE 3.81Å; R126-M179 HydrophobicContact CB-SD 3.84Å; R126-M179 WeakPolarHBondContact CD-SD 3.38Å; R126-M179 HydrophobicContact CG-SD 4.2Å; L128-M179 HydrophobicContact CD2-CE 3.21Å; L128-M179 HydrophobicContact CD2-CG 4.33Å; L128-M179 HydrophobicContact CG-CE 3.92Å; I176-M179 HydrophobicContact CB-CE 4.41Å; I176-M179 HydrophobicContact CB-SD 4.38Å; I176-M179 HydrophobicContact CG1-CE 3.95Å; I176-M179 HydrophobicContact CG2-SD 4.08Å; I176-M179 VanDerWaalsContact O-CB 3.3Å; I176-M179 WeakPolarHBondContact O-CB 3.29Å; I176-M179 WeakPolarHBondContact O-CG 3.32Å; I176-M179 PolarHBondContact O-N 3.27Å; I176-M179 VanDerWaalsContact O-N 3.12Å; M179-N181 PolarHBondContact O-N 3.27Å
180P84.9Confident91.7Very high125 Ų12562.6 Ų62.681%0.81233%0.33SS*.SBendtrans-63.2-40.6176.3-21.232000113.2
181N85.9Confident91.8Very high76 Ų7657.2 Ų57.241%0.40631%0.306SS..  trans-80.5119.7174.3-178.3-26.9000109.1R126 M179 E183R126-N181 PolarHBondContact NH1-O 3.15Å; R126-N181 PolarHBondContact NH1-OD1 3.09Å; M179-N181 PolarHBondContact O-N 3.27Å; N181-E183 VanDerWaalsContact OD1-CB 3.25Å; N181-E183 WeakPolarHBondContact OD1-CB 3.4Å; N181-E183 WeakPolarHBondContact OD1-CG 3.46Å; N181-E183 PolarHBondContact OD1-N 3Å
182T87Confident91.9Very high95 Ų9554.3 Ų54.358%0.58330%0.301SS*.  trans-1021.7-177.1570000114.4G184 I185T182-G184 PolarHBondContact O-N 2.94Å; T182-I185 HydrophobicContact CG2-CD1 4.03Å; T182-I185 WeakPolarHBondContact O-CB 3.47Å; T182-I185 WeakPolarHBondContact O-CG1 3.47Å; T182-I185 PolarHBondContact O-N 3.21Å
183E91.6Very high92.1Very high91 Ų9157.8 Ų57.843%0.42532%0.322SS..THydrogen-bonded Turntrans-60135.5177.6-64.1-174.2155.600111R126 N181 I185 Y233R126-E183 VanDerWaalsContact CZ-O 3.31Å; R126-E183 PolarHBondContact NH1-O 2.65Å; R126-E183 PolarHBondContact NH2-O 3.47Å; N181-E183 VanDerWaalsContact OD1-CB 3.25Å; N181-E183 WeakPolarHBondContact OD1-CB 3.4Å; N181-E183 WeakPolarHBondContact OD1-CG 3.46Å; N181-E183 PolarHBondContact OD1-N 3Å; E183-I185 PolarHBondContact O-N 3.26Å; E183-Y233 HydrophobicContact CB-CD1 3.72Å; E183-Y233 HydrophobicContact CB-CE1 4.23Å; E183-Y233 HydrophobicContact CB-CG 4.3Å
184G91.4Very high92.4Very high3 Ų360.2 Ų60.23%0.03133%0.33CS..THydrogen-bonded Turntrans77.1-3.6179.800000116T182 W186 E187 L188 Y233T182-G184 PolarHBondContact O-N 2.94Å; G184-W186 VanDerWaalsContact C-N 3.32Å; G184-W186 PolarHBondContact O-N 3.41Å; G184-E187 VanDerWaalsContact CA-OE2 3.24Å; G184-E187 WeakPolarHBondContact CA-OE2 3.48Å; G184-E187 PolarHBondContact O-N 2.91Å; G184-L188 PolarHBondContact O-N 2.9Å; G184-L188 VanDerWaalsContact O-N 3.09Å; G184-Y233 VanDerWaalsContact CA-CE2 3.42Å
185I91.8Very high92.6Very high22 Ų2257.7 Ų57.711%0.11331%0.313CS..Hα-helixtrans-63.7-38.3176.8-72.4-177.1000111.3L177 T182 E183 E187 L188 V189L177-I185 HydrophobicContact CD2-CD1 4.44Å; L177-I185 HydrophobicContact CD2-CG2 3.44Å; L177-I185 VanDerWaalsContact CD2-CG2 3.44Å; T182-I185 HydrophobicContact CG2-CD1 4.03Å; T182-I185 WeakPolarHBondContact O-CB 3.47Å; T182-I185 WeakPolarHBondContact O-CG1 3.47Å; T182-I185 PolarHBondContact O-N 3.21Å; E183-I185 PolarHBondContact O-N 3.26Å; I185-E187 VanDerWaalsContact C-N 3.31Å; I185-E187 PolarHBondContact O-N 3.36Å; I185-L188 WeakPolarHBondContact O-CB 3.26Å; I185-L188 PolarHBondContact O-N 3.26Å; I185-V189 HydrophobicContact CG2-CG2 4.1Å; I185-V189 WeakPolarHBondContact O-CG2 3.43Å; I185-V189 PolarHBondContact O-N 2.97Å
186W94.4Very high92.8Very high200 Ų20058.5 Ų58.576%0.75832%0.32SS*.Hα-helixtrans-62.6-39.8-179.3-81119.5000112.2G184 T190G184-W186 VanDerWaalsContact C-N 3.32Å; G184-W186 PolarHBondContact O-N 3.41Å; W186-T190 VanDerWaalsContact O-CB 3.26Å; W186-T190 WeakPolarHBondContact O-CB 3.48Å; W186-T190 PolarHBondContact O-N 3.49Å; W186-T190 PolarHBondContact O-OG1 3.08Å
187E96.5Very high93.1Very high39 Ų3962.5 Ų62.518%0.18234%0.341CS..Hα-helixtrans-69.4-38.4175.9-65.585.9162.200111.4G184 I185 T190 G191 Y228 A229 Y233G184-E187 VanDerWaalsContact CA-OE2 3.24Å; G184-E187 WeakPolarHBondContact CA-OE2 3.48Å; G184-E187 PolarHBondContact O-N 2.91Å; I185-E187 VanDerWaalsContact C-N 3.31Å; I185-E187 PolarHBondContact O-N 3.36Å; E187-T190 PolarHBondContact O-N 2.79Å; E187-G191 PolarHBondContact O-N 3.46Å; E187-Y228 HydrophobicContact CG-CD1 4.03Å; E187-Y228 HydrophobicContact CG-CE1 4.16Å; E187-A229 HydrophobicContact CB-CB 3.62Å; E187-Y233 HydrophobicContact CG-CE2 4.36Å; E187-Y233 VanDerWaalsContact OE1-CE2 3.26Å; E187-Y233 WeakPolarHBondContact OE1-CE2 3.39Å; E187-Y233 PolarHBondContact OE1-OH 3.04Å
188L94.6Very high93.4Very high10 Ų1058.4 Ų58.45%0.05232%0.319CS..Hα-helixtrans-61.8-47.3173.8-170.674.1000111.4I176 G184 I185 G191 G192 H226I176-L188 HydrophobicContact CB-CD2 4.32Å; I176-L188 HydrophobicContact CD1-CD2 4.39Å; I176-L188 HydrophobicContact CG2-CD2 3.71Å; G184-L188 PolarHBondContact O-N 2.9Å; G184-L188 VanDerWaalsContact O-N 3.09Å; I185-L188 WeakPolarHBondContact O-CB 3.26Å; I185-L188 PolarHBondContact O-N 3.26Å; L188-G191 PolarHBondContact O-N 3.37Å; L188-G192 PolarHBondContact O-N 2.8Å; L188-H226 PolarHBondContact O-NE2 2.89Å
189V95.6Very high93.7Very high57 Ų5756.4 Ų56.435%0.34530%0.3SS..Hα-helixtrans-62.8-45.3176.4170.70000110.4L177 I185 G191 G192 V193L177-V189 HydrophobicContact CD2-CG2 4.15Å; I185-V189 HydrophobicContact CG2-CG2 4.1Å; I185-V189 WeakPolarHBondContact O-CG2 3.43Å; I185-V189 PolarHBondContact O-N 2.97Å; V189-G191 PolarHBondContact O-N 3.36Å; V189-G192 CarbonylContact O-C 3.58Å; V189-G192 WeakPolarHBondContact O-CA 3.33Å; V189-G192 PolarHBondContact O-N 2.74Å; V189-G192 VanDerWaalsContact O-N 3.15Å; V189-V193 WeakPolarHBondContact O-CG2 3.31Å; V189-V193 PolarHBondContact O-N 2.62Å
190T97.6Very high94.1Very high61 Ų6159.9 Ų59.937%0.37432%0.322SS..Hα-helixtrans-60.3-46.7178.6-61.50000111.2W186 E187 G192 V193 F194W186-T190 VanDerWaalsContact O-CB 3.26Å; W186-T190 WeakPolarHBondContact O-CB 3.48Å; W186-T190 PolarHBondContact O-N 3.49Å; W186-T190 PolarHBondContact O-OG1 3.08Å; E187-T190 PolarHBondContact O-N 2.79Å; T190-G192 VanDerWaalsContact C-N 3.34Å; T190-G192 PolarHBondContact O-N 2.65Å; T190-V193 WeakPolarHBondContact O-CB 3.38Å; T190-V193 PolarHBondContact O-N 3.4Å; T190-F194 HydrophobicContact CG2-CD2 4.06Å; T190-F194 HydrophobicContact CG2-CE2 3.72Å; T190-F194 VanDerWaalsContact O-CD2 3.22Å; T190-F194 WeakPolarHBondContact O-CD2 3.5Å; T190-F194 PolarHBondContact O-N 2.65Å
191G97.4Very high94.5Very high0 Ų056.4 Ų56.40%029%0.294CS..Hα-helixtrans-63.4-38.7174.200000112.8E187 L188 V189 V193 F194 Y195 T225E187-G191 PolarHBondContact O-N 3.46Å; L188-G191 PolarHBondContact O-N 3.37Å; V189-G191 PolarHBondContact O-N 3.36Å; G191-V193 VanDerWaalsContact C-N 3.33Å; G191-V193 PolarHBondContact O-N 3.17Å; G191-F194 WeakPolarHBondContact O-CB 3.36Å; G191-F194 PolarHBondContact O-N 3.19Å; G191-Y195 WeakPolarHBondContact O-CD2 3.14Å; G191-Y195 PolarHBondContact O-N 3.28Å; G191-T225 WeakPolarHBondContact CA-OG1 3.24Å
192G96.6Very high94.7Very high26 Ų2654.7 Ų54.727%0.26828%0.284SS..Hα-helixtrans-59.4-41.1172.800000113L188 V189 T190 Y195 C196 H226L188-G192 PolarHBondContact O-N 2.8Å; V189-G192 CarbonylContact O-C 3.58Å; V189-G192 WeakPolarHBondContact O-CA 3.33Å; V189-G192 PolarHBondContact O-N 2.74Å; V189-G192 VanDerWaalsContact O-N 3.15Å; T190-G192 VanDerWaalsContact C-N 3.34Å; T190-G192 PolarHBondContact O-N 2.65Å; G192-Y195 PolarHBondContact O-N 3.08Å; G192-C196 PolarHBondContact O-N 3.12Å; G192-C196 PolarHBondContact O-SG 2.96Å; G192-H226 PolarHBondContact N-NE2 2.86Å
193V97.5Very high94.9Very high73 Ų7355 Ų5544%0.44228%0.277SS..Hα-helixtrans-63.9-43.9174170.30000110.8V189 T190 G191 Y195 C196 L197V189-V193 WeakPolarHBondContact O-CG2 3.31Å; V189-V193 PolarHBondContact O-N 2.62Å; T190-V193 WeakPolarHBondContact O-CB 3.38Å; T190-V193 PolarHBondContact O-N 3.4Å; G191-V193 VanDerWaalsContact C-N 3.33Å; G191-V193 PolarHBondContact O-N 3.17Å; V193-Y195 VanDerWaalsContact C-N 3.34Å; V193-Y195 PolarHBondContact O-N 3.49Å; V193-C196 PolarHBondContact O-N 2.82Å; V193-C196 VanDerWaalsContact O-N 3.16Å; V193-L197 HydrophobicContact CG1-CD1 3.86Å; V193-L197 HydrophobicContact CG1-CG 4.17Å; V193-L197 WeakPolarHBondContact O-CB 3.36Å; V193-L197 WeakPolarHBondContact O-CG 3.29Å; V193-L197 PolarHBondContact O-N 3.45Å
194F98.2Very high94.8Very high65 Ų6551.5 Ų51.529%0.28526%0.263SS..Hα-helixtrans-58.2-44.7174.6-79.9-67.6000112T190 G191 C196 L197 G198 F218 F221 T225T190-F194 HydrophobicContact CG2-CD2 4.06Å; T190-F194 HydrophobicContact CG2-CE2 3.72Å; T190-F194 VanDerWaalsContact O-CD2 3.22Å; T190-F194 WeakPolarHBondContact O-CD2 3.5Å; T190-F194 PolarHBondContact O-N 2.65Å; G191-F194 WeakPolarHBondContact O-CB 3.36Å; G191-F194 PolarHBondContact O-N 3.19Å; F194-C196 VanDerWaalsContact C-N 3.35Å; F194-C196 PolarHBondContact O-N 3.12Å; F194-L197 PolarHBondContact O-N 3.27Å; F194-G198 PolarHBondContact O-N 2.9Å; F194-F218 HydrophobicContact CB-CD1 4.41Å; F194-F218 AromaticContact CD1-CD1 3.76Å; F194-F218 HydrophobicContact CD1-CD1 3.76Å; F194-F218 AromaticContact CD1-CE1 3.98Å; F194-F218 HydrophobicContact CD1-CE1 3.98Å; F194-F218 VanDerWaalsContact O-CD1 3.31Å; F194-F218 WeakPolarHBondContact O-CD1 3.49Å; F194-F221 HydrophobicContact CD1-CB 4.22Å; F194-F221 HydrophobicContact CE1-CB 4.44Å; F194-F221 HydrophobicContact CG-CB 4.28Å; F194-T225 HydrophobicContact CE2-CG2 4.4Å
195Y97.5Very high94.6Very high57 Ų5752.6 Ų52.622%0.22427%0.267CS..Hα-helixtrans-60.1-44.6174.2-69-53.9000112.1F114 G191 G192 V193 L197 G198 M199 V219 A223 H226F114-Y195 WeakPolarHBondContact CE1-OH 3.36Å; G191-Y195 WeakPolarHBondContact O-CD2 3.14Å; G191-Y195 PolarHBondContact O-N 3.28Å; G192-Y195 PolarHBondContact O-N 3.08Å; V193-Y195 VanDerWaalsContact C-N 3.34Å; V193-Y195 PolarHBondContact O-N 3.49Å; Y195-L197 PolarHBondContact O-N 3.48Å; Y195-G198 PolarHBondContact O-N 3.18Å; Y195-M199 WeakPolarHBondContact O-CG 3.03Å; Y195-M199 PolarHBondContact O-N 3.29Å; Y195-M199 VanDerWaalsContact O-N 3.1Å; Y195-V219 HydrophobicContact CE1-CB 4.48Å; Y195-V219 HydrophobicContact CE1-CG1 4.27Å; Y195-A223 VanDerWaalsContact OH-CA 3.24Å; Y195-A223 WeakPolarHBondContact OH-CA 3.41Å; Y195-A223 PolarHBondContact OH-N 3.29Å; Y195-A223 VanDerWaalsContact OH-N 3.07Å; Y195-H226 AromaticContact CE2-CE1 3.65Å; Y195-H226 AromaticContact CE2-ND1 3.76Å
196C96.1Very high94.3Very high41 Ų4151.5 Ų51.528%0.27726%0.262SS..Hα-helixtrans-62.8-44.1179.9-68.30000112.8G192 V193 F194 G198 M199G192-C196 PolarHBondContact O-N 3.12Å; G192-C196 PolarHBondContact O-SG 2.96Å; V193-C196 PolarHBondContact O-N 2.82Å; V193-C196 VanDerWaalsContact O-N 3.16Å; F194-C196 VanDerWaalsContact C-N 3.35Å; F194-C196 PolarHBondContact O-N 3.12Å; C196-G198 VanDerWaalsContact C-N 3.33Å; C196-M199 HydrophobicContact CB-CE 4.13Å; C196-M199 WeakPolarHBondContact O-CB 3.45Å; C196-M199 PolarHBondContact O-N 3.2Å
197L96.5Very high93.9Very high84 Ų8448.9 Ų48.944%0.4425%0.252SS..Hα-helixtrans-64.8-39.5175.1-67.8176.5000111.3V193 F194 Y195 M199 V200 F218V193-L197 HydrophobicContact CG1-CD1 3.86Å; V193-L197 HydrophobicContact CG1-CG 4.17Å; V193-L197 WeakPolarHBondContact O-CB 3.36Å; V193-L197 WeakPolarHBondContact O-CG 3.29Å; V193-L197 PolarHBondContact O-N 3.45Å; F194-L197 PolarHBondContact O-N 3.27Å; Y195-L197 PolarHBondContact O-N 3.48Å; L197-M199 VanDerWaalsContact C-N 3.26Å; L197-M199 PolarHBondContact O-N 3.34Å; L197-V200 WeakPolarHBondContact O-CB 3.02Å; L197-V200 PolarHBondContact O-N 3.39Å; L197-V200 VanDerWaalsContact O-N 3.1Å; L197-F218 HydrophobicContact CB-CD1 3.88Å; L197-F218 HydrophobicContact CB-CE1 3.59Å; L197-F218 HydrophobicContact CB-CZ 4.37Å; L197-F218 HydrophobicContact CD1-CE1 4.13Å
198G96.2Very high93.6Very high0 Ų049.1 Ų49.10%025%0.254CS..Hα-helixtrans-56.7-37174.800000113.1F194 Y195 C196 V200 F201 F202 W215F194-G198 PolarHBondContact O-N 2.9Å; Y195-G198 PolarHBondContact O-N 3.18Å; C196-G198 VanDerWaalsContact C-N 3.33Å; G198-V200 PolarHBondContact O-N 3.48Å; G198-F201 PolarHBondContact O-N 3.47Å; G198-F202 PolarHBondContact O-N 3Å; G198-W215 VanDerWaalsContact O-CD1 3.29Å
199M93.7Very high93.4Very high46 Ų4649.4 Ų49.423%0.22726%0.256CS..Hα-helixtrans-59.6-29.4178.1-66.6-168.7-74.300113.2L162 I166 Y195 C196 L197 F201 F202 K203L162-M199 HydrophobicContact CD1-CB 4.47Å; L162-M199 HydrophobicContact CD1-CG 4.04Å; L162-M199 HydrophobicContact CD1-SD 3.57Å; L162-M199 VanDerWaalsContact CD1-SD 3.57Å; L162-M199 HydrophobicContact CG-SD 4.32Å; I166-M199 HydrophobicContact CD1-CE 3.85Å; I166-M199 HydrophobicContact CD1-SD 3.7Å; I166-M199 HydrophobicContact CG1-CE 3.71Å; I166-M199 HydrophobicContact CG1-SD 3.5Å; I166-M199 WeakPolarHBondContact CG1-SD 3.44Å; Y195-M199 WeakPolarHBondContact O-CG 3.03Å; Y195-M199 PolarHBondContact O-N 3.29Å; Y195-M199 VanDerWaalsContact O-N 3.1Å; C196-M199 HydrophobicContact CB-CE 4.13Å; C196-M199 WeakPolarHBondContact O-CB 3.45Å; C196-M199 PolarHBondContact O-N 3.2Å; L197-M199 VanDerWaalsContact C-N 3.26Å; L197-M199 PolarHBondContact O-N 3.34Å; M199-F201 VanDerWaalsContact C-N 3.31Å; M199-F201 PolarHBondContact O-N 3.42Å; M199-F202 PolarHBondContact O-N 3.15Å; M199-K203 WeakPolarHBondContact O-CB 3.23Å; M199-K203 PolarHBondContact O-N 2.98Å
200V94.3Very high93.3Very high87 Ų8749.3 Ų49.353%0.52725%0.251SS..Hα-helixtrans-62.5-42.9175.2-179.10000110.2L197 G198 K203 S204L197-V200 WeakPolarHBondContact O-CB 3.02Å; L197-V200 PolarHBondContact O-N 3.39Å; L197-V200 VanDerWaalsContact O-N 3.1Å; G198-V200 PolarHBondContact O-N 3.48Å; V200-K203 PolarHBondContact O-N 3.39Å; V200-S204 VanDerWaalsContact O-CB 3.31Å; V200-S204 WeakPolarHBondContact O-CB 3.29Å; V200-S204 PolarHBondContact O-N 3.31Å; V200-S204 PolarHBondContact O-OG 2.9Å
201F94.1Very high93.1Very high51 Ų5146.4 Ų46.422%0.22423%0.234CC..Hα-helixtrans-72.3-42.1178-65.9-77.3000111.9G198 M199 K203 S204 I208 A211 I214 W215 F218G198-F201 PolarHBondContact O-N 3.47Å; M199-F201 VanDerWaalsContact C-N 3.31Å; M199-F201 PolarHBondContact O-N 3.42Å; F201-K203 PolarHBondContact O-N 3.41Å; F201-S204 WeakPolarHBondContact O-CA 3.31Å; F201-S204 WeakPolarHBondContact O-CB 3.09Å; F201-S204 PolarHBondContact O-N 3.39Å; F201-I208 HydrophobicContact CD1-CD1 4.38Å; F201-I208 HydrophobicContact CE1-CD1 4.39Å; F201-A211 WeakPolarHBondContact CB-O 3.21Å; F201-I214 HydrophobicContact CB-CB 4.48Å; F201-I214 HydrophobicContact CB-CG2 4.27Å; F201-I214 HydrophobicContact CD1-CB 4.12Å; F201-I214 HydrophobicContact CD1-CD1 4.33Å; F201-I214 HydrophobicContact CD1-CG2 3.61Å; F201-I214 HydrophobicContact CD2-CG2 3.82Å; F201-I214 HydrophobicContact CE1-CD1 4.38Å; F201-I214 HydrophobicContact CE1-CG2 3.81Å; F201-I214 HydrophobicContact CE2-CG2 4Å; F201-I214 HydrophobicContact CG-CB 4.24Å; F201-I214 HydrophobicContact CG-CG2 3.61Å; F201-I214 HydrophobicContact CZ-CG2 4Å; F201-W215 HydrophobicContact CB-CB 4.09Å; F201-F218 AromaticContact CD2-CD2 3.83Å; F201-F218 HydrophobicContact CD2-CD2 3.83Å; F201-F218 AromaticContact CD2-CE2 3.57Å; F201-F218 HydrophobicContact CD2-CE2 3.57Å; F201-F218 HydrophobicContact CD2-CZ 4.31Å; F201-F218 HydrophobicContact CE2-CD2 4.03Å; F201-F218 AromaticContact CE2-CE2 3.28Å; F201-F218 HydrophobicContact CE2-CE2 3.28Å; F201-F218 AromaticContact CE2-CZ 3.72Å; F201-F218 HydrophobicContact CE2-CZ 3.72Å; F201-F218 HydrophobicContact CZ-CE2 4.15Å
202F91.1Very high93Very high41 Ų4147.1 Ų47.118%0.1824%0.237CC..Hα-helixtrans-54.1-41.2172.5178.9-106000112.1L162 G198 M199 S204 W215L162-F202 HydrophobicContact CD1-CD1 4.41Å; G198-F202 PolarHBondContact O-N 3Å; M199-F202 PolarHBondContact O-N 3.15Å; F202-S204 VanDerWaalsContact C-N 3.25Å; F202-S204 PolarHBondContact O-N 2.79Å; F202-W215 HydrophobicContact CB-CB 4.34Å; F202-W215 HydrophobicContact CB-CD2 4.13Å; F202-W215 HydrophobicContact CB-CG 3.81Å; F202-W215 AromaticContact CD2-CD2 3.79Å; F202-W215 HydrophobicContact CD2-CD2 3.79Å; F202-W215 AromaticContact CD2-CE2 3.85Å; F202-W215 AromaticContact CD2-CE3 3.94Å; F202-W215 HydrophobicContact CD2-CE3 3.94Å; F202-W215 HydrophobicContact CD2-CG 4.36Å; F202-W215 HydrophobicContact CD2-CH2 4.26Å; F202-W215 HydrophobicContact CD2-CZ2 4.09Å; F202-W215 HydrophobicContact CD2-CZ3 4.18Å; F202-W215 HydrophobicContact CE2-CH2 4.33Å; F202-W215 HydrophobicContact CE2-CZ2 4.42Å; F202-W215 HydrophobicContact CE2-CZ3 4.43Å; F202-W215 HydrophobicContact CG-CD2 4.39Å
203K89.8Confident93Very high101 Ų10146.1 Ų46.144%0.43923%0.227SC..THydrogen-bonded Turntrans-78-11.5177.6-164.653.6173.6-175.20113.6M199 V200 F201 R207M199-K203 WeakPolarHBondContact O-CB 3.23Å; M199-K203 PolarHBondContact O-N 2.98Å; V200-K203 PolarHBondContact O-N 3.39Å; F201-K203 PolarHBondContact O-N 3.41Å; K203-R207 PolarHBondContact O-NH1 3.37Å
204S89.9Confident93Very high18 Ų1844.9 Ų44.913%0.12622%0.217CC..THydrogen-bonded Turntrans-96.410.4-175.9-63.50000114V200 F201 F202 G206 R207 I208V200-S204 VanDerWaalsContact O-CB 3.31Å; V200-S204 WeakPolarHBondContact O-CB 3.29Å; V200-S204 PolarHBondContact O-N 3.31Å; V200-S204 PolarHBondContact O-OG 2.9Å; F201-S204 WeakPolarHBondContact O-CA 3.31Å; F201-S204 WeakPolarHBondContact O-CB 3.09Å; F201-S204 PolarHBondContact O-N 3.39Å; F202-S204 VanDerWaalsContact C-N 3.25Å; F202-S204 PolarHBondContact O-N 2.79Å; S204-G206 PolarHBondContact O-N 3.45Å; S204-R207 WeakPolarHBondContact O-CA 3.22Å; S204-R207 WeakPolarHBondContact O-CB 3.26Å; S204-R207 PolarHBondContact O-N 3.3Å; S204-I208 PolarHBondContact O-N 2.94Å; S204-I208 VanDerWaalsContact O-N 3.17Å
205D88.1Confident92.9Very high25 Ų2543.1 Ų43.113%0.13421%0.208CC..BIsolated β-bridgetrans-50.1124171.7-73.4-8.7000111.9Y28 R207 H212Y28-D205 HydrophobicContact CD2-CB 3.89Å; Y28-D205 HydrophobicContact CE2-CB 4.07Å; Y28-D205 HydrophobicContact CG-CB 4.23Å; D205-R207 PolarHBondContact O-N 3.12Å; D205-H212 IonicContact OD1-CG 2.76Å; D205-H212 PolarHBondContact OD1-N 3.02Å; D205-H212 IonicContact OD1-ND1 3.18Å; D205-H212 IonicContact OD2-CE1 3.46Å; D205-H212 IonicContact OD2-ND1 3.8Å; D205-H212 PolarHBondContact OD2-ND1 3.5Å; D205-H212 VanDerWaalsContact OD2-ND1 3.08Å
206G84.4Confident92.9Very high0 Ų040.4 Ų40.40%020%0.198CC..THydrogen-bonded Turntrans75.13.5-175.900000115.4M18 S204M18-G206 WeakPolarHBondContact CE-O 3.44Å; S204-G206 PolarHBondContact O-N 3.45Å
207R86.8Confident93Very high144 Ų14441.8 Ų41.854%0.54320%0.202SC..THydrogen-bonded Turntrans-106.5-33.2169.7-58-166.2-175.691.53.2112.9K203 S204 D205K203-R207 PolarHBondContact O-NH1 3.37Å; S204-R207 WeakPolarHBondContact O-CA 3.22Å; S204-R207 WeakPolarHBondContact O-CB 3.26Å; S204-R207 PolarHBondContact O-N 3.3Å; D205-R207 PolarHBondContact O-N 3.12Å
208I90Very high93.1Very high44 Ų4439.7 Ų39.723%0.22619%0.189CC..BIsolated β-bridgetrans-120.8136.8178.1-59.4175.7000107.5F9 F201 S204 A211F9-I208 HydrophobicContact CE2-CG1 4.37Å; F201-I208 HydrophobicContact CD1-CD1 4.38Å; F201-I208 HydrophobicContact CE1-CD1 4.39Å; S204-I208 PolarHBondContact O-N 2.94Å; S204-I208 VanDerWaalsContact O-N 3.17Å; I208-A211 HydrophobicContact CB-CB 4.08Å; I208-A211 WeakPolarHBondContact O-CB 3.29Å; I208-A211 PolarHBondContact O-N 2.69Å
209P90.3Very high93.2Very high16 Ų1640.2 Ų40.210%0.10419%0.193CC..THydrogen-bonded Turntrans-65.9137.8174.628.8-34000109.7F17 M18 A211F17-P209 HydrophobicContact CB-CB 3.97Å; M18-P209 HydrophobicContact SD-CB 4.18Å; M18-P209 VanDerWaalsContact SD-CD 3.59Å; M18-P209 HydrophobicContact SD-CG 4.37Å; P209-A211 PolarHBondContact O-N 3.01Å
210F93.5Very high93.4Very high55 Ų5538 Ų3824%0.24118%0.182CC..THydrogen-bonded Turntrans61.222.4-177.7-56-79000114.7F17 E34 A37 H212 A213 I214F17-F210 HydrophobicContact CB-CD2 4.37Å; F17-F210 HydrophobicContact CB-CE2 3.64Å; F17-F210 HydrophobicContact CB-CZ 4.12Å; F17-F210 AromaticContact CD1-CE2 3.95Å; F17-F210 HydrophobicContact CD1-CE2 3.95Å; F17-F210 AromaticContact CD1-CZ 3.82Å; F17-F210 HydrophobicContact CD1-CZ 3.82Å; F17-F210 HydrophobicContact CD2-CE2 4.33Å; F17-F210 HydrophobicContact CE1-CZ 4.45Å; F17-F210 AromaticContact CG-CE2 3.74Å; F17-F210 HydrophobicContact CG-CE2 3.74Å; F17-F210 HydrophobicContact CG-CZ 4.09Å; E34-F210 HydrophobicContact CB-CD1 4.13Å; E34-F210 HydrophobicContact CB-CE1 4.38Å; E34-F210 VanDerWaalsContact CD-CA 3.43Å; E34-F210 HydrophobicContact CG-CD1 4.24Å; E34-F210 VanDerWaalsContact OE2-CA 3.23Å; E34-F210 WeakPolarHBondContact OE2-CA 3.42Å; E34-F210 PolarHBondContact OE2-N 3.01Å; E34-F210 VanDerWaalsContact OE2-N 3.07Å; A37-F210 HydrophobicContact CB-CD1 3.85Å; A37-F210 HydrophobicContact CB-CE1 4.11Å; F210-H212 PolarHBondContact O-N 3.02Å; F210-A213 HydrophobicContact CB-CB 4.3Å; F210-A213 PolarHBondContact O-N 3.17Å; F210-I214 VanDerWaalsContact O-CG1 3.26Å; F210-I214 WeakPolarHBondContact O-CG1 3.44Å; F210-I214 PolarHBondContact O-N 2.94Å
211A94.1Very high93.6Very high0 Ų039 Ų390%018%0.179CC..Hα-helixtrans-54.7-42-177.800000112.3F201 I208 P209 I214 W215F201-A211 WeakPolarHBondContact CB-O 3.21Å; I208-A211 HydrophobicContact CB-CB 4.08Å; I208-A211 WeakPolarHBondContact O-CB 3.29Å; I208-A211 PolarHBondContact O-N 2.69Å; P209-A211 PolarHBondContact O-N 3.01Å; A211-I214 PolarHBondContact O-N 3.28Å; A211-W215 PolarHBondContact O-N 3.35Å
212H94.9Very high93.8Very high15 Ų1536.6 Ų36.67%0.06917%0.169CC..Hα-helixtrans-70.1-41-178.7-153.784.4000111.6Y28 E34 H87 D205 F210 I214 W215 H216Y28-H212 HydrophobicContact CE1-CB 3.85Å; Y28-H212 AromaticContact CE1-CG 3.94Å; E34-H212 WeakPolarHBondContact OE1-CB 3.45Å; E34-H212 PolarHBondContact OE1-N 2.9Å; E34-H212 VanDerWaalsContact OE1-N 3.07Å; H87-H212 AromaticContact CE1-CD2 3.81Å; H87-H212 AromaticContact CE1-NE2 3.79Å; H87-H212 AromaticContact NE2-CD2 3.88Å; H87-H212 AromaticContact NE2-NE2 3.7Å; D205-H212 IonicContact OD1-CG 2.76Å; D205-H212 PolarHBondContact OD1-N 3.02Å; D205-H212 IonicContact OD1-ND1 3.18Å; D205-H212 IonicContact OD2-CE1 3.46Å; D205-H212 IonicContact OD2-ND1 3.8Å; D205-H212 PolarHBondContact OD2-ND1 3.5Å; D205-H212 VanDerWaalsContact OD2-ND1 3.08Å; F210-H212 PolarHBondContact O-N 3.02Å; H212-I214 VanDerWaalsContact C-N 3.32Å; H212-I214 PolarHBondContact O-N 3.22Å; H212-W215 AromaticContact CD2-CE3 3.89Å; H212-W215 AromaticContact CE1-CE3 3.61Å; H212-W215 AromaticContact CE1-CZ3 3.51Å; H212-W215 AromaticContact ND1-CE3 3.96Å; H212-W215 AromaticContact NE2-CE3 3.62Å; H212-W215 AromaticContact NE2-CZ3 3.34Å; H212-W215 VanDerWaalsContact NE2-CZ3 3.34Å; H212-W215 WeakPolarHBondContact NE2-CZ3 3.44Å; H212-W215 WeakPolarHBondContact O-CB 3.17Å; H212-W215 PolarHBondContact O-N 3.39Å; H212-W215 VanDerWaalsContact O-N 3.17Å; H212-H216 AromaticContact CD2-CE1 3.86Å; H212-H216 AromaticContact CD2-NE2 3.49Å; H212-H216 PolarHBondContact CD2-NE2 2.9Å; H212-H216 AromaticContact NE2-NE2 3.6Å; H212-H216 PolarHBondContact O-N 3.05Å
213A96.3Very high94.2Very high6 Ų634.6 Ų34.65%0.0516%0.16CC..Hα-helixtrans-66.3-35.217600000112A37 N38 T41 F210 H216 L217A37-A213 HydrophobicContact CB-CB 3.63Å; N38-A213 WeakPolarHBondContact OD1-CA 3.28Å; N38-A213 WeakPolarHBondContact OD1-CB 3.23Å; N38-A213 PolarHBondContact OD1-N 2.87Å; T41-A213 HydrophobicContact CG2-CB 4.43Å; F210-A213 HydrophobicContact CB-CB 4.3Å; F210-A213 PolarHBondContact O-N 3.17Å; A213-H216 WeakPolarHBondContact O-CB 3.45Å; A213-H216 PolarHBondContact O-N 3.37Å; A213-L217 PolarHBondContact O-N 2.88Å
214I97Very high94.6Very high47 Ų4731.2 Ų31.224%0.24115%0.154CC..Hα-helixtrans-66-43.1172.9-65.7163000109.5F201 F210 A211 H212 H216 L217 F218F201-I214 HydrophobicContact CB-CB 4.48Å; F201-I214 HydrophobicContact CB-CG2 4.27Å; F201-I214 HydrophobicContact CD1-CB 4.12Å; F201-I214 HydrophobicContact CD1-CD1 4.33Å; F201-I214 HydrophobicContact CD1-CG2 3.61Å; F201-I214 HydrophobicContact CD2-CG2 3.82Å; F201-I214 HydrophobicContact CE1-CD1 4.38Å; F201-I214 HydrophobicContact CE1-CG2 3.81Å; F201-I214 HydrophobicContact CE2-CG2 4Å; F201-I214 HydrophobicContact CG-CB 4.24Å; F201-I214 HydrophobicContact CG-CG2 3.61Å; F201-I214 HydrophobicContact CZ-CG2 4Å; F210-I214 VanDerWaalsContact O-CG1 3.26Å; F210-I214 WeakPolarHBondContact O-CG1 3.44Å; F210-I214 PolarHBondContact O-N 2.94Å; A211-I214 PolarHBondContact O-N 3.28Å; H212-I214 VanDerWaalsContact C-N 3.32Å; H212-I214 PolarHBondContact O-N 3.22Å; I214-H216 VanDerWaalsContact C-N 3.3Å; I214-H216 PolarHBondContact O-N 3.28Å; I214-L217 WeakPolarHBondContact O-CB 3.27Å; I214-L217 PolarHBondContact O-N 3.2Å; I214-L217 VanDerWaalsContact O-N 3.08Å; I214-F218 HydrophobicContact CG2-CD2 3.88Å; I214-F218 HydrophobicContact CG2-CE2 3.72Å; I214-F218 WeakPolarHBondContact O-CD2 3.34Å; I214-F218 PolarHBondContact O-N 2.85Å; I214-F218 VanDerWaalsContact O-N 3.11Å
215W97.1Very high95Very high27 Ų2732.1 Ų32.110%0.10216%0.158CC..Hα-helixtrans-55.9-43.9173.2166.462.3000112.1I111 G198 F201 F202 A211 H212 L217 F218 V219I111-W215 HydrophobicContact CD1-CH2 4.25Å; I111-W215 HydrophobicContact CD1-CZ2 4.23Å; G198-W215 VanDerWaalsContact O-CD1 3.29Å; F201-W215 HydrophobicContact CB-CB 4.09Å; F202-W215 HydrophobicContact CB-CB 4.34Å; F202-W215 HydrophobicContact CB-CD2 4.13Å; F202-W215 HydrophobicContact CB-CG 3.81Å; F202-W215 AromaticContact CD2-CD2 3.79Å; F202-W215 HydrophobicContact CD2-CD2 3.79Å; F202-W215 AromaticContact CD2-CE2 3.85Å; F202-W215 AromaticContact CD2-CE3 3.94Å; F202-W215 HydrophobicContact CD2-CE3 3.94Å; F202-W215 HydrophobicContact CD2-CG 4.36Å; F202-W215 HydrophobicContact CD2-CH2 4.26Å; F202-W215 HydrophobicContact CD2-CZ2 4.09Å; F202-W215 HydrophobicContact CD2-CZ3 4.18Å; F202-W215 HydrophobicContact CE2-CH2 4.33Å; F202-W215 HydrophobicContact CE2-CZ2 4.42Å; F202-W215 HydrophobicContact CE2-CZ3 4.43Å; F202-W215 HydrophobicContact CG-CD2 4.39Å; A211-W215 PolarHBondContact O-N 3.35Å; H212-W215 AromaticContact CD2-CE3 3.89Å; H212-W215 AromaticContact CE1-CE3 3.61Å; H212-W215 AromaticContact CE1-CZ3 3.51Å; H212-W215 AromaticContact ND1-CE3 3.96Å; H212-W215 AromaticContact NE2-CE3 3.62Å; H212-W215 AromaticContact NE2-CZ3 3.34Å; H212-W215 VanDerWaalsContact NE2-CZ3 3.34Å; H212-W215 WeakPolarHBondContact NE2-CZ3 3.44Å; H212-W215 WeakPolarHBondContact O-CB 3.17Å; H212-W215 PolarHBondContact O-N 3.39Å; H212-W215 VanDerWaalsContact O-N 3.17Å; W215-L217 VanDerWaalsContact C-N 3.29Å; W215-L217 PolarHBondContact O-N 3.44Å; W215-F218 WeakPolarHBondContact O-CB 3.33Å; W215-F218 PolarHBondContact O-N 2.83Å; W215-F218 VanDerWaalsContact O-N 3.11Å; W215-V219 HydrophobicContact CD2-CG2 4.33Å; W215-V219 HydrophobicContact CG-CG2 4.45Å; W215-V219 HydrophobicContact CZ2-CG2 4.02Å; W215-V219 WeakPolarHBondContact O-CG2 3.34Å; W215-V219 PolarHBondContact O-N 3.28Å
216H97.6Very high95.5Very high0 Ų031.1 Ų31.10%015%0.153CC..Hα-helixtrans-55.1-41.6173.4-73.3-176.7000113.1N38 T41 H42 H87 H212 A213 I214 V219 A220N38-H216 PolarHBondContact O-ND1 3.14Å; T41-H216 VanDerWaalsContact OG1-CB 3.24Å; T41-H216 WeakPolarHBondContact OG1-CB 3.29Å; T41-H216 PolarHBondContact OG1-ND1 3.46Å; H42-H216 AromaticContact CD2-CG 3.75Å; H42-H216 AromaticContact CE1-CD2 3.17Å; H42-H216 PolarHBondContact CE1-CD2 2.87Å; H42-H216 AromaticContact CE1-CE1 3.75Å; H42-H216 AromaticContact CE1-CG 3.36Å; H42-H216 AromaticContact CE1-ND1 3.72Å; H42-H216 AromaticContact CE1-NE2 3.46Å; H42-H216 PolarHBondContact CE1-NE2 3.43Å; H42-H216 AromaticContact CG-ND1 3.88Å; H42-H216 AromaticContact ND1-CD2 3.86Å; H42-H216 AromaticContact ND1-CE1 3.66Å; H42-H216 AromaticContact ND1-CG 3.8Å; H42-H216 AromaticContact ND1-ND1 3.68Å; H42-H216 AromaticContact ND1-NE2 3.78Å; H42-H216 WeakPolarHBondContact NE2-CA 3.47Å; H42-H216 VanDerWaalsContact NE2-CB 3.26Å; H42-H216 WeakPolarHBondContact NE2-CB 3.26Å; H42-H216 AromaticContact NE2-CD2 3.48Å; H42-H216 PolarHBondContact NE2-CD2 2.79Å; H42-H216 AromaticContact NE2-CG 3.3Å; H42-H216 VanDerWaalsContact NE2-CG 3.3Å; H42-H216 AromaticContact NE2-ND1 3.92Å; H87-H216 AromaticContact CD2-CE1 3.61Å; H87-H216 AromaticContact NE2-CE1 3.34Å; H87-H216 PolarHBondContact NE2-CE1 3.3Å; H87-H216 VanDerWaalsContact NE2-CE1 3.34Å; H87-H216 AromaticContact NE2-NE2 3.65Å; H212-H216 AromaticContact CD2-CE1 3.86Å; H212-H216 AromaticContact CD2-NE2 3.49Å; H212-H216 PolarHBondContact CD2-NE2 2.9Å; H212-H216 AromaticContact NE2-NE2 3.6Å; H212-H216 PolarHBondContact O-N 3.05Å; A213-H216 WeakPolarHBondContact O-CB 3.45Å; A213-H216 PolarHBondContact O-N 3.37Å; I214-H216 VanDerWaalsContact C-N 3.3Å; I214-H216 PolarHBondContact O-N 3.28Å; H216-V219 PolarHBondContact O-N 2.97Å; H216-A220 WeakPolarHBondContact O-CB 3.25Å; H216-A220 PolarHBondContact O-N 3.31Å
217L98.3Very high96.1Very high70 Ų7033 Ų3337%0.36616%0.16SC..Hα-helixtrans-63.2-44.5176.1-66.2174.3000111.7T41 A213 I214 W215 V219 A220 F221T41-L217 HydrophobicContact CG2-CD2 3.87Å; T41-L217 HydrophobicContact CG2-CG 4.04Å; A213-L217 PolarHBondContact O-N 2.88Å; I214-L217 WeakPolarHBondContact O-CB 3.27Å; I214-L217 PolarHBondContact O-N 3.2Å; I214-L217 VanDerWaalsContact O-N 3.08Å; W215-L217 VanDerWaalsContact C-N 3.29Å; W215-L217 PolarHBondContact O-N 3.44Å; L217-V219 VanDerWaalsContact C-N 3.33Å; L217-V219 PolarHBondContact O-N 3.15Å; L217-A220 PolarHBondContact O-N 3.45Å; L217-F221 HydrophobicContact CB-CD2 4.47Å; L217-F221 HydrophobicContact CB-CE2 4.36Å; L217-F221 WeakPolarHBondContact O-CD2 3.44Å; L217-F221 PolarHBondContact O-N 3.32Å
218F98.4Very high96.7Very high40 Ų4030.9 Ų30.918%0.17515%0.153CC..Hα-helixtrans-61.3-41.5175.7-84.1-86.4000112.2F194 L197 F201 I214 W215 F221 G222F194-F218 HydrophobicContact CB-CD1 4.41Å; F194-F218 AromaticContact CD1-CD1 3.76Å; F194-F218 HydrophobicContact CD1-CD1 3.76Å; F194-F218 AromaticContact CD1-CE1 3.98Å; F194-F218 HydrophobicContact CD1-CE1 3.98Å; F194-F218 VanDerWaalsContact O-CD1 3.31Å; F194-F218 WeakPolarHBondContact O-CD1 3.49Å; L197-F218 HydrophobicContact CB-CD1 3.88Å; L197-F218 HydrophobicContact CB-CE1 3.59Å; L197-F218 HydrophobicContact CB-CZ 4.37Å; L197-F218 HydrophobicContact CD1-CE1 4.13Å; F201-F218 AromaticContact CD2-CD2 3.83Å; F201-F218 HydrophobicContact CD2-CD2 3.83Å; F201-F218 AromaticContact CD2-CE2 3.57Å; F201-F218 HydrophobicContact CD2-CE2 3.57Å; F201-F218 HydrophobicContact CD2-CZ 4.31Å; F201-F218 HydrophobicContact CE2-CD2 4.03Å; F201-F218 AromaticContact CE2-CE2 3.28Å; F201-F218 HydrophobicContact CE2-CE2 3.28Å; F201-F218 AromaticContact CE2-CZ 3.72Å; F201-F218 HydrophobicContact CE2-CZ 3.72Å; F201-F218 HydrophobicContact CZ-CE2 4.15Å; I214-F218 HydrophobicContact CG2-CD2 3.88Å; I214-F218 HydrophobicContact CG2-CE2 3.72Å; I214-F218 WeakPolarHBondContact O-CD2 3.34Å; I214-F218 PolarHBondContact O-N 2.85Å; I214-F218 VanDerWaalsContact O-N 3.11Å; W215-F218 WeakPolarHBondContact O-CB 3.33Å; W215-F218 PolarHBondContact O-N 2.83Å; W215-F218 VanDerWaalsContact O-N 3.11Å; F218-F221 PolarHBondContact O-N 3.23Å; F218-G222 PolarHBondContact O-N 3.48Å
219V98.1Very high97Very high12 Ų1228.8 Ų28.87%0.07314%0.142CC..Hα-helixtrans-61.5-45.9174.6170.70000110.6L79 Y195 W215 H216 L217 G222 A223L79-V219 HydrophobicContact CD2-CG1 3.91Å; Y195-V219 HydrophobicContact CE1-CB 4.48Å; Y195-V219 HydrophobicContact CE1-CG1 4.27Å; W215-V219 HydrophobicContact CD2-CG2 4.33Å; W215-V219 HydrophobicContact CG-CG2 4.45Å; W215-V219 HydrophobicContact CZ2-CG2 4.02Å; W215-V219 WeakPolarHBondContact O-CG2 3.34Å; W215-V219 PolarHBondContact O-N 3.28Å; H216-V219 PolarHBondContact O-N 2.97Å; L217-V219 VanDerWaalsContact C-N 3.33Å; L217-V219 PolarHBondContact O-N 3.15Å; V219-G222 PolarHBondContact O-N 2.8Å; V219-A223 VanDerWaalsContact O-CB 3.31Å; V219-A223 WeakPolarHBondContact O-CB 3.45Å; V219-A223 PolarHBondContact O-N 3.5Å
220A98.3Very high97.3Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-65-41.7179.400000113W45 F80 H216 L217 A223 G224W45-A220 HydrophobicContact CD2-CB 4.21Å; W45-A220 HydrophobicContact CG-CB 4.14Å; W45-A220 HydrophobicContact CZ2-CB 4.29Å; W45-A220 VanDerWaalsContact NE1-CB 3.29Å; F80-A220 HydrophobicContact CE1-CB 4.06Å; F80-A220 HydrophobicContact CZ-CB 4.27Å; H216-A220 WeakPolarHBondContact O-CB 3.25Å; H216-A220 PolarHBondContact O-N 3.31Å; L217-A220 PolarHBondContact O-N 3.45Å; A220-A223 PolarHBondContact O-N 3.42Å; A220-G224 PolarHBondContact O-N 3Å
221F98.3Very high97.4Very high107 Ų10729.9 Ų29.947%0.46914%0.143SC..Hα-helixtrans-65.9-40.9174.2-74.9-61.4000112.1F194 L217 F218 G224 T225F194-F221 HydrophobicContact CD1-CB 4.22Å; F194-F221 HydrophobicContact CE1-CB 4.44Å; F194-F221 HydrophobicContact CG-CB 4.28Å; L217-F221 HydrophobicContact CB-CD2 4.47Å; L217-F221 HydrophobicContact CB-CE2 4.36Å; L217-F221 WeakPolarHBondContact O-CD2 3.44Å; L217-F221 PolarHBondContact O-N 3.32Å; F218-F221 PolarHBondContact O-N 3.23Å; F221-G224 PolarHBondContact O-N 3.05Å; F221-T225 WeakPolarHBondContact O-CB 3.32Å; F221-T225 WeakPolarHBondContact O-CG2 3.34Å; F221-T225 PolarHBondContact O-N 2.86Å; F221-T225 PolarHBondContact O-OG1 3.37Å
222G98.4Very high97.5Very high0 Ų034.3 Ų34.30%016%0.16CC..Hα-helixtrans-60-45.3172.700000112.2F218 V219 T225 H226F218-G222 PolarHBondContact O-N 3.48Å; V219-G222 PolarHBondContact O-N 2.8Å; G222-T225 WeakPolarHBondContact CA-OG1 3.28Å; G222-T225 PolarHBondContact O-N 2.89Å; G222-T225 PolarHBondContact O-OG1 2.7Å; G222-H226 WeakPolarHBondContact O-CB 3.23Å; G222-H226 PolarHBondContact O-N 3.44Å
223A98.4Very high97.4Very high0 Ų036.6 Ų36.60%017%0.168CC..Hα-helixtrans-66.4-42.6178.600000111.9Y72 L76 F80 F114 Y195 V219 A220 H226 Y227Y72-A223 PolarHBondContact OH-O 3.3Å; L76-A223 HydrophobicContact CD1-CB 3.83Å; F80-A223 HydrophobicContact CZ-CB 4.15Å; F114-A223 HydrophobicContact CE1-CB 4.11Å; F114-A223 HydrophobicContact CZ-CB 3.79Å; Y195-A223 VanDerWaalsContact OH-CA 3.24Å; Y195-A223 WeakPolarHBondContact OH-CA 3.41Å; Y195-A223 PolarHBondContact OH-N 3.29Å; Y195-A223 VanDerWaalsContact OH-N 3.07Å; V219-A223 VanDerWaalsContact O-CB 3.31Å; V219-A223 WeakPolarHBondContact O-CB 3.45Å; V219-A223 PolarHBondContact O-N 3.5Å; A220-A223 PolarHBondContact O-N 3.42Å; A223-H226 PolarHBondContact O-N 3.4Å; A223-Y227 WeakPolarHBondContact O-CB 3.43Å; A223-Y227 PolarHBondContact O-N 2.97Å
224G98.3Very high97.3Very high30 Ų3037.1 Ų37.131%0.30917%0.17SC..Hα-helixtrans-66.2-39.4177.500000113.3A220 F221 Y227 Y228A220-G224 PolarHBondContact O-N 3Å; F221-G224 PolarHBondContact O-N 3.05Å; G224-Y227 PolarHBondContact O-N 2.96Å; G224-Y228 WeakPolarHBondContact O-CB 3.31Å; G224-Y228 PolarHBondContact O-N 2.68Å
225T98.3Very high97.1Very high36 Ų3635 Ų3522%0.22116%0.159CC..Hα-helixtrans-67.3-41.2174.7470000111.8G191 F194 F221 G222 Y228 A229G191-T225 WeakPolarHBondContact CA-OG1 3.24Å; F194-T225 HydrophobicContact CE2-CG2 4.4Å; F221-T225 WeakPolarHBondContact O-CB 3.32Å; F221-T225 WeakPolarHBondContact O-CG2 3.34Å; F221-T225 PolarHBondContact O-N 2.86Å; F221-T225 PolarHBondContact O-OG1 3.37Å; G222-T225 WeakPolarHBondContact CA-OG1 3.28Å; G222-T225 PolarHBondContact O-N 2.89Å; G222-T225 PolarHBondContact O-OG1 2.7Å; T225-Y228 PolarHBondContact O-N 3.36Å; T225-A229 PolarHBondContact O-N 2.9Å
226H98.2Very high95.9Very high5 Ų535.8 Ų35.82%0.02317%0.165CC..Hα-helixtrans-64.8-41.8173.2-76.8-161.9000112.4L188 G192 Y195 G222 A223 A229 I230L188-H226 PolarHBondContact O-NE2 2.89Å; G192-H226 PolarHBondContact N-NE2 2.86Å; Y195-H226 AromaticContact CE2-CE1 3.65Å; Y195-H226 AromaticContact CE2-ND1 3.76Å; G222-H226 WeakPolarHBondContact O-CB 3.23Å; G222-H226 PolarHBondContact O-N 3.44Å; A223-H226 PolarHBondContact O-N 3.4Å; H226-A229 WeakPolarHBondContact O-CB 3.34Å; H226-A229 PolarHBondContact O-N 2.98Å; H226-I230 WeakPolarHBondContact O-CD1 3.42Å; H226-I230 WeakPolarHBondContact O-CG1 3.44Å; H226-I230 PolarHBondContact O-N 2.76Å
227Y98.4Very high93.9Very high39 Ų3938.6 Ų38.615%0.15318%0.183CC..Hα-helixtrans-57.7-50173.3173.7-101.3000111.2G52 N55 L56 Y72 L76 A223 G224 A229 I230 W231G52-Y227 VanDerWaalsContact CA-CZ 3.42Å; G52-Y227 WeakPolarHBondContact CA-OH 3.3Å; G52-Y227 VanDerWaalsContact O-CE2 3.3Å; G52-Y227 WeakPolarHBondContact O-CE2 3.31Å; G52-Y227 PolarHBondContact O-OH 3.38Å; N55-Y227 PolarHBondContact ND2-OH 3.17Å; L56-Y227 HydrophobicContact CD1-CD2 4.21Å; L56-Y227 HydrophobicContact CD1-CE2 3.75Å; L56-Y227 HydrophobicContact CD2-CE2 4.21Å; L56-Y227 HydrophobicContact CG-CE2 3.78Å; Y72-Y227 AromaticContact CE1-CD2 3.66Å; Y72-Y227 HydrophobicContact CE1-CD2 3.66Å; Y72-Y227 VanDerWaalsContact OH-CA 3.28Å; Y72-Y227 WeakPolarHBondContact OH-CA 3.47Å; Y72-Y227 WeakPolarHBondContact OH-CB 3.33Å; Y72-Y227 PolarHBondContact OH-N 3.44Å; L76-Y227 HydrophobicContact CD2-CD2 4.37Å; A223-Y227 WeakPolarHBondContact O-CB 3.43Å; A223-Y227 PolarHBondContact O-N 2.97Å; G224-Y227 PolarHBondContact O-N 2.96Å; Y227-A229 VanDerWaalsContact C-N 3.27Å; Y227-A229 PolarHBondContact O-N 3.07Å; Y227-I230 PolarHBondContact O-N 3.4Å; Y227-W231 HydrophobicContact CE1-CB 4.22Å; Y227-W231 WeakPolarHBondContact O-CB 3.44Å; Y227-W231 PolarHBondContact O-N 2.7Å
228Y97.6Very high91.8Very high99 Ų9939 Ų3939%0.38819%0.192SC..Hα-helixtrans-57-43.7179.1173.6-97000111.3E187 G224 T225 W231 R232E187-Y228 HydrophobicContact CG-CD1 4.03Å; E187-Y228 HydrophobicContact CG-CE1 4.16Å; G224-Y228 WeakPolarHBondContact O-CB 3.31Å; G224-Y228 PolarHBondContact O-N 2.68Å; T225-Y228 PolarHBondContact O-N 3.36Å; Y228-W231 AromaticContact CD2-CE3 3.97Å; Y228-W231 HydrophobicContact CD2-CE3 3.97Å; Y228-W231 HydrophobicContact CD2-CZ3 4.01Å; Y228-W231 HydrophobicContact CE2-CE3 4.25Å; Y228-W231 AromaticContact CE2-CZ3 3.92Å; Y228-W231 HydrophobicContact CE2-CZ3 3.92Å; Y228-W231 PolarHBondContact O-N 2.98Å; Y228-R232 HydrophobicContact CE1-CB 4.48Å; Y228-R232 WeakPolarHBondContact O-CB 3.36Å; Y228-R232 PolarHBondContact O-N 3.39Å
229A96.8Very high89.3Confident0 Ų042.5 Ų42.50%022%0.217CC..Hα-helixtrans-60.8-46.617700000112.1W122 E187 T225 H226 Y227 Y233W122-A229 HydrophobicContact CH2-CB 4.24Å; W122-A229 HydrophobicContact CZ2-CB 3.74Å; E187-A229 HydrophobicContact CB-CB 3.62Å; T225-A229 PolarHBondContact O-N 2.9Å; H226-A229 WeakPolarHBondContact O-CB 3.34Å; H226-A229 PolarHBondContact O-N 2.98Å; Y227-A229 VanDerWaalsContact C-N 3.27Å; Y227-A229 PolarHBondContact O-N 3.07Å; A229-Y233 HydrophobicContact CB-CD2 4.44Å; A229-Y233 WeakPolarHBondContact O-CB 3.41Å; A229-Y233 VanDerWaalsContact O-CD2 3.24Å; A229-Y233 WeakPolarHBondContact O-CD2 3.21Å; A229-Y233 PolarHBondContact O-N 3.3Å
230I96.9Very high87Confident0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-62.5-52.1178.6-70.1160.8000110.4L56 Y72 P121 W122 H226 Y227 R232 L234 Y235L56-I230 HydrophobicContact CD1-CG2 4.14Å; L56-I230 HydrophobicContact CD2-CG2 4.3Å; Y72-I230 HydrophobicContact CD2-CD1 3.46Å; Y72-I230 VanDerWaalsContact CD2-CD1 3.46Å; Y72-I230 HydrophobicContact CE1-CD1 4.45Å; Y72-I230 HydrophobicContact CE2-CD1 3.25Å; Y72-I230 HydrophobicContact CG-CD1 4.13Å; P121-I230 HydrophobicContact CB-CD1 4.44Å; P121-I230 HydrophobicContact CB-CG1 4.28Å; P121-I230 HydrophobicContact CB-CG2 3.93Å; P121-I230 HydrophobicContact CG-CD1 4.08Å; P121-I230 HydrophobicContact CG-CG1 4.44Å; P121-I230 HydrophobicContact CG-CG2 4.12Å; W122-I230 HydrophobicContact CZ2-CG1 4.34Å; H226-I230 WeakPolarHBondContact O-CD1 3.42Å; H226-I230 WeakPolarHBondContact O-CG1 3.44Å; H226-I230 PolarHBondContact O-N 2.76Å; Y227-I230 PolarHBondContact O-N 3.4Å; I230-R232 PolarHBondContact O-N 3.42Å; I230-L234 HydrophobicContact CB-CD1 4.43Å; I230-L234 HydrophobicContact CG1-CD1 4.18Å; I230-L234 HydrophobicContact CG2-CD1 4.27Å; I230-L234 WeakPolarHBondContact O-CA 3.44Å; I230-L234 VanDerWaalsContact O-CB 3.28Å; I230-L234 WeakPolarHBondContact O-CB 3.47Å; I230-L234 PolarHBondContact O-N 3.26Å; I230-Y235 HydrophobicContact CG2-CD2 3.85Å; I230-Y235 HydrophobicContact CG2-CE2 3.7Å; I230-Y235 PolarHBondContact O-N 2.68Å
231W96.6Very high84.7Confident95 Ų9551.2 Ų51.236%0.3626%0.258SS..Hα-helixtrans-59-46-179.8168.960.3000112.2N55 L56 L59 Y227 Y228N55-W231 PolarHBondContact ND2-NE1 3.42Å; N55-W231 VanDerWaalsContact ND2-NE1 3.17Å; L56-W231 HydrophobicContact CD2-CB 3.88Å; L56-W231 HydrophobicContact CD2-CG 4.47Å; L59-W231 VanDerWaalsContact CD1-CD1 3.49Å; L59-W231 VanDerWaalsContact CD1-NE1 3.34Å; Y227-W231 HydrophobicContact CE1-CB 4.22Å; Y227-W231 WeakPolarHBondContact O-CB 3.44Å; Y227-W231 PolarHBondContact O-N 2.7Å; Y228-W231 AromaticContact CD2-CE3 3.97Å; Y228-W231 HydrophobicContact CD2-CE3 3.97Å; Y228-W231 HydrophobicContact CD2-CZ3 4.01Å; Y228-W231 HydrophobicContact CE2-CE3 4.25Å; Y228-W231 AromaticContact CE2-CZ3 3.92Å; Y228-W231 HydrophobicContact CE2-CZ3 3.92Å; Y228-W231 PolarHBondContact O-N 2.98Å
232R95.1Very high82Confident93 Ų9351 Ų5135%0.35127%0.266SS..Hα-helixtrans-75.3-37.1-173.8178.759.1178.8126.84.8113.5Y228 I230 L236Y228-R232 HydrophobicContact CE1-CB 4.48Å; Y228-R232 WeakPolarHBondContact O-CB 3.36Å; Y228-R232 PolarHBondContact O-N 3.39Å; I230-R232 PolarHBondContact O-N 3.42Å; R232-L236 WeakPolarHBondContact O-CD1 3.49Å
233Y93.7Very high79.2Confident63 Ų6359.1 Ų59.125%0.24730%0.301CS..Hα-helixtrans-113.4-10.8-168.7-57.8-73.8000114.4E183 G184 E187 A229E183-Y233 HydrophobicContact CB-CD1 3.72Å; E183-Y233 HydrophobicContact CB-CE1 4.23Å; E183-Y233 HydrophobicContact CB-CG 4.3Å; G184-Y233 VanDerWaalsContact CA-CE2 3.42Å; E187-Y233 HydrophobicContact CG-CE2 4.36Å; E187-Y233 VanDerWaalsContact OE1-CE2 3.26Å; E187-Y233 WeakPolarHBondContact OE1-CE2 3.39Å; E187-Y233 PolarHBondContact OE1-OH 3.04Å; A229-Y233 HydrophobicContact CB-CD2 4.44Å; A229-Y233 WeakPolarHBondContact O-CB 3.41Å; A229-Y233 VanDerWaalsContact O-CD2 3.24Å; A229-Y233 WeakPolarHBondContact O-CD2 3.21Å; A229-Y233 PolarHBondContact O-N 3.3Å
234L93.9Very high76.6Confident17 Ų1764 Ų649%0.08933%0.33CS..Hα-helixtrans-116-25.6177.5-51.4-178.9000113.6P121 W122 L125 R126 I230P121-L234 HydrophobicContact CB-CD1 3.64Å; W122-L234 HydrophobicContact CD2-CD1 3.98Å; W122-L234 HydrophobicContact CE3-CD1 4.27Å; W122-L234 HydrophobicContact CE3-CD2 4.16Å; W122-L234 HydrophobicContact CG-CD1 4.24Å; W122-L234 HydrophobicContact CZ3-CD2 4.21Å; L125-L234 HydrophobicContact CD1-CB 3.97Å; R126-L234 HydrophobicContact CG-CD2 3.84Å; R126-L234 VanDerWaalsContact NE-CD2 3.32Å; I230-L234 HydrophobicContact CB-CD1 4.43Å; I230-L234 HydrophobicContact CG1-CD1 4.18Å; I230-L234 HydrophobicContact CG2-CD1 4.27Å; I230-L234 WeakPolarHBondContact O-CA 3.44Å; I230-L234 VanDerWaalsContact O-CB 3.28Å; I230-L234 WeakPolarHBondContact O-CB 3.47Å; I230-L234 PolarHBondContact O-N 3.26Å
235Y91.8Very high73.8Confident2 Ų267.7 Ų67.71%0.00835%0.352CS..SBendtrans-114.333.6-178.3-72.9-99.8000112L56 L59 E65 S68 A69 L125 I230L56-Y235 HydrophobicContact CB-CD1 4.44Å; L56-Y235 HydrophobicContact CB-CE1 4.31Å; L56-Y235 HydrophobicContact CD2-CD1 4.3Å; L56-Y235 HydrophobicContact CD2-CD2 3.69Å; L56-Y235 HydrophobicContact CD2-CE2 4.14Å; L56-Y235 HydrophobicContact CD2-CG 3.78Å; L56-Y235 WeakPolarHBondContact O-CD1 3.32Å; L59-Y235 HydrophobicContact CB-CD1 4.37Å; E65-Y235 HydrophobicContact CB-CD1 4.47Å; E65-Y235 HydrophobicContact CB-CE1 3.82Å; E65-Y235 HydrophobicContact CG-CE1 4.39Å; E65-Y235 WeakPolarHBondContact O-CE1 3.38Å; E65-Y235 PolarHBondContact O-OH 2.89Å; S68-Y235 VanDerWaalsContact CB-OH 3.24Å; S68-Y235 WeakPolarHBondContact CB-OH 3.4Å; A69-Y235 WeakPolarHBondContact CA-OH 3.34Å; A69-Y235 HydrophobicContact CB-CE1 4.01Å; A69-Y235 PolarHBondContact N-OH 3.48Å; L125-Y235 HydrophobicContact CD1-CD2 4.37Å; L125-Y235 HydrophobicContact CD1-CE2 3.65Å; I230-Y235 HydrophobicContact CG2-CD2 3.85Å; I230-Y235 HydrophobicContact CG2-CE2 3.7Å; I230-Y235 PolarHBondContact O-N 2.68Å
236L72.3Confident70.8Confident44 Ų4477.8 Ų77.823%0.2339%0.392CS..  trans-74.1134.1-173.5-164.968.3000110.9R232 S238 L240R232-L236 WeakPolarHBondContact O-CD1 3.49Å; L236-S238 PolarHBondContact O-N 2.91Å; L236-L240 HydrophobicContact CD1-CD1 3.93Å; L236-L240 HydrophobicContact CD2-CB 3.84Å; L236-L240 HydrophobicContact CD2-CD1 4.21Å; L236-L240 HydrophobicContact CG-CB 4.22Å; L236-L240 HydrophobicContact CG-CD1 4.13Å
237P57Low69.4Low58 Ų5881.4 Ų81.438%0.37741%0.411SS..  trans-57.1135.9179.2-24.433000112.1L59 T239 L240L59-P237 HydrophobicContact CD2-CG 4.46Å; P237-T239 PolarHBondContact O-N 3.31Å; P237-L240 PolarHBondContact O-N 3.42Å
238S52.5Low67.9Low80 Ų8083.6 Ų83.656%0.55942%0.424SS*.Hα-helixtrans-53.6-18.9-178.3-8.40000113.7L236 L240L236-S238 PolarHBondContact O-N 2.91Å; S238-L240 VanDerWaalsContact C-N 3.31Å; S238-L240 PolarHBondContact O-N 2.87Å
239T45.7Very low66.3Low113 Ų11382.8 Ų82.869%0.69343%0.426SS*.Hα-helixtrans-71.6-14.6175.554.60000114.9P237 T242P237-T239 PolarHBondContact O-N 3.31Å; T239-T242 PolarHBondContact O-OG1 2.92Å
240L50.9Low64.5Low65 Ų6587.6 Ų87.634%0.3445%0.451SS..Hα-helixtrans-99.6-20.4177.2-78.6165.3000114L236 P237 S238 T242 K243 V244L236-L240 HydrophobicContact CD1-CD1 3.93Å; L236-L240 HydrophobicContact CD2-CB 3.84Å; L236-L240 HydrophobicContact CD2-CD1 4.21Å; L236-L240 HydrophobicContact CG-CB 4.22Å; L236-L240 HydrophobicContact CG-CD1 4.13Å; P237-L240 PolarHBondContact O-N 3.42Å; S238-L240 VanDerWaalsContact C-N 3.31Å; S238-L240 PolarHBondContact O-N 2.87Å; L240-T242 PolarHBondContact O-N 3.13Å; L240-K243 PolarHBondContact O-N 2.94Å; L240-V244 PolarHBondContact O-N 3.08Å
241H50.2Low62.5Low130 Ų13093.1 Ų93.160%0.60248%0.48SS*.Hα-helixtrans-59.4-29.7173.5-87.1-79.8000112.4K243H241-K243 VanDerWaalsContact C-N 3.3Å; H241-K243 PolarHBondContact O-N 3.04Å
242T40.8Very low60.2Low103 Ų10393 Ų9363%0.63249%0.488SS*.Hα-helixtrans-73.9-15174.539.60000114.3T239 L240T239-T242 PolarHBondContact O-OG1 2.92Å; L240-T242 PolarHBondContact O-N 3.13Å
243K39.8Very low57.7Low170 Ų17093 Ų9374%0.73950%0.497SS*.Hα-helixtrans-98.8-24.2179.8-109.6-174.6-179.9-177.20114.3L240 H241L240-K243 PolarHBondContact O-N 2.94Å; H241-K243 VanDerWaalsContact C-N 3.3Å; H241-K243 PolarHBondContact O-N 3.04Å
244V44.2Very low54.9Low102 Ų10295.3 Ų95.362%0.61852%0.517SS*.Hα-helixtrans-88.5-20.2178.3-176.70000111.8L240 K246L240-V244 PolarHBondContact O-N 3.08Å; V244-K246 PolarHBondContact O-N 2.99Å
245S38.7Very low51.7Low108 Ų108101.8 Ų101.876%0.75555%0.552SS**  trans-84.325.4174.9-1640000113.9
246K36.2Very low48Very low247 Ų247110.9 Ų110.9100%1.07460%0.602SS**  trans-129.50174.4-76.6-167.4179.2-175.40111.7V244V244-K246 PolarHBondContact O-N 2.99Å

Retrieved 246 of 246 residues in 370.5 ms (Link to these results)

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