A0A3Q0KND0_SCHMA Loading...

Innexin AlphaSync

Structural component of the gap junctions.

AlphaFold DB , UniProt , Accession A0A3Q0KND0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene inx, Length 458 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
1M54.1Low62.1Low194 Ų194116.1 Ų116.196%0.95659%0.593SS**  0-62.90-111.2162.7134.600110.7A3 K4 D5M1-A3 VanDerWaalsContact C-N 3.3Å; M1-A3 PolarHBondContact O-N 2.99Å; M1-K4 PolarHBondContact O-N 3.17Å; M1-D5 PolarHBondContact O-N 2.92Å
2V67.2Low60.9Low121 Ų121121 Ų12173%0.73361%0.607SS**Hα-helixtrans-48.1-41.3-179.7-173.30000115.1D5 F6V2-D5 PolarHBondContact O-N 3.11Å; V2-F6 WeakPolarHBondContact O-CB 3.48Å; V2-F6 PolarHBondContact O-N 3.21Å
3A61.9Low59.9Low69 Ų69121.4 Ų121.457%0.5760%0.599SS**Hα-helixtrans-67.6-35.817800000113.4M1 I7M1-A3 VanDerWaalsContact C-N 3.3Å; M1-A3 PolarHBondContact O-N 2.99Å; A3-I7 WeakPolarHBondContact O-CB 3.34Å; A3-I7 WeakPolarHBondContact O-CD1 3.44Å; A3-I7 WeakPolarHBondContact O-CG1 3.39Å; A3-I7 PolarHBondContact O-N 3.23Å
4K68.3Low58.9Low162 Ų162117.2 Ų117.270%0.70459%0.587SS**Hα-helixtrans-71.2-42175-77.8-172174.8-176.90110.6M1 F6 I7 E8M1-K4 PolarHBondContact O-N 3.17Å; K4-F6 VanDerWaalsContact C-N 3.3Å; K4-F6 PolarHBondContact O-N 3.12Å; K4-I7 CarbonylContact O-C 3.6Å; K4-I7 PolarHBondContact O-N 2.94Å; K4-E8 WeakPolarHBondContact O-CB 3.13Å; K4-E8 PolarHBondContact O-N 2.78Å
5D69.2Low57.6Low85 Ų85121.2 Ų121.246%0.45559%0.594SS.*Hα-helixtrans-65.4-36.7177.1-54-31.1000111.2M1 V2 E8 F9M1-D5 PolarHBondContact O-N 2.92Å; V2-D5 PolarHBondContact O-N 3.11Å; D5-E8 PolarHBondContact O-N 3.01Å; D5-F9 VanDerWaalsContact O-CB 3.25Å; D5-F9 WeakPolarHBondContact O-CB 3.11Å; D5-F9 PolarHBondContact O-N 3.41Å
6F60.7Low56.6Low116 Ų116117.6 Ų117.651%0.50960%0.598SS.*Hα-helixtrans-67.7-43173.5-172.6-96.3000111.8V2 K4 F9 F10V2-F6 WeakPolarHBondContact O-CB 3.48Å; V2-F6 PolarHBondContact O-N 3.21Å; K4-F6 VanDerWaalsContact C-N 3.3Å; K4-F6 PolarHBondContact O-N 3.12Å; F6-F9 PolarHBondContact O-N 2.71Å; F6-F10 AromaticContact CD1-CD2 3.87Å; F6-F10 HydrophobicContact CD1-CD2 3.87Å; F6-F10 HydrophobicContact CD1-CE2 4.24Å; F6-F10 HydrophobicContact CD2-CD2 4.37Å; F6-F10 HydrophobicContact CD2-CE2 4.37Å; F6-F10 AromaticContact CE1-CD2 3.52Å; F6-F10 HydrophobicContact CE1-CD2 3.52Å; F6-F10 AromaticContact CE1-CE2 3.48Å; F6-F10 HydrophobicContact CE1-CE2 3.48Å; F6-F10 VanDerWaalsContact CE1-CE2 3.48Å; F6-F10 HydrophobicContact CE1-CZ 4.41Å; F6-F10 HydrophobicContact CE2-CD2 4.06Å; F6-F10 AromaticContact CE2-CE2 3.64Å; F6-F10 HydrophobicContact CE2-CE2 3.64Å; F6-F10 HydrophobicContact CG-CD2 4.3Å; F6-F10 AromaticContact CZ-CD2 3.65Å; F6-F10 HydrophobicContact CZ-CD2 3.65Å; F6-F10 AromaticContact CZ-CE2 3.14Å; F6-F10 HydrophobicContact CZ-CE2 3.14Å; F6-F10 HydrophobicContact CZ-CZ 4.06Å; F6-F10 WeakPolarHBondContact O-CB 3.27Å; F6-F10 WeakPolarHBondContact O-CD2 2.91Å; F6-F10 PolarHBondContact O-N 3.11Å
7I66.8Low56.1Low114 Ų114115.6 Ų115.659%0.58559%0.589SS**Hα-helixtrans-65.6-39.1174.9-71.1165.4000110.8A3 K4 F10 S11A3-I7 WeakPolarHBondContact O-CB 3.34Å; A3-I7 WeakPolarHBondContact O-CD1 3.44Å; A3-I7 WeakPolarHBondContact O-CG1 3.39Å; A3-I7 PolarHBondContact O-N 3.23Å; K4-I7 CarbonylContact O-C 3.6Å; K4-I7 PolarHBondContact O-N 2.94Å; I7-F10 CarbonylContact O-C 3.59Å; I7-F10 PolarHBondContact O-N 3.06Å; I7-S11 WeakPolarHBondContact O-CA 3.04Å; I7-S11 WeakPolarHBondContact O-CB 3.31Å; I7-S11 PolarHBondContact O-N 3.41Å; I7-S11 PolarHBondContact O-OG 2.88Å
8E63.1Low55.7Low130 Ų130118.3 Ų118.361%0.60759%0.591SS**Hα-helixtrans-69.8-38.5175.8-91.5-171.2165.800112.3K4 D5 S11 K12K4-E8 WeakPolarHBondContact O-CB 3.13Å; K4-E8 PolarHBondContact O-N 2.78Å; D5-E8 PolarHBondContact O-N 3.01Å; E8-S11 VanDerWaalsContact CA-OG 3.32Å; E8-S11 WeakPolarHBondContact CA-OG 3.5Å; E8-S11 PolarHBondContact O-N 3.06Å; E8-S11 PolarHBondContact O-OG 3.21Å; E8-S11 VanDerWaalsContact O-OG 3.11Å; E8-K12 WeakPolarHBondContact O-CB 3.03Å; E8-K12 PolarHBondContact O-N 3.48Å
9F62.8Low55.7Low140 Ų140114.3 Ų114.361%0.61457%0.573SS**Hα-helixtrans-61.9-47.4171.9-178.5-97.1000110.3D5 F6 S11 K12 Y13D5-F9 VanDerWaalsContact O-CB 3.25Å; D5-F9 WeakPolarHBondContact O-CB 3.11Å; D5-F9 PolarHBondContact O-N 3.41Å; F6-F9 PolarHBondContact O-N 2.71Å; F9-S11 PolarHBondContact O-N 3.05Å; F9-K12 PolarHBondContact O-N 3.26Å; F9-Y13 VanDerWaalsContact O-CB 3.24Å; F9-Y13 WeakPolarHBondContact O-CB 3.3Å; F9-Y13 PolarHBondContact O-N 3.48Å
10F54.4Low55.9Low87 Ų87109.1 Ų109.138%0.38255%0.549SS..Hα-helixtrans-64.7-36.5174.6-98.4-90.5000112.6F6 I7 S14 V34F6-F10 AromaticContact CD1-CD2 3.87Å; F6-F10 HydrophobicContact CD1-CD2 3.87Å; F6-F10 HydrophobicContact CD1-CE2 4.24Å; F6-F10 HydrophobicContact CD2-CD2 4.37Å; F6-F10 HydrophobicContact CD2-CE2 4.37Å; F6-F10 AromaticContact CE1-CD2 3.52Å; F6-F10 HydrophobicContact CE1-CD2 3.52Å; F6-F10 AromaticContact CE1-CE2 3.48Å; F6-F10 HydrophobicContact CE1-CE2 3.48Å; F6-F10 VanDerWaalsContact CE1-CE2 3.48Å; F6-F10 HydrophobicContact CE1-CZ 4.41Å; F6-F10 HydrophobicContact CE2-CD2 4.06Å; F6-F10 AromaticContact CE2-CE2 3.64Å; F6-F10 HydrophobicContact CE2-CE2 3.64Å; F6-F10 HydrophobicContact CG-CD2 4.3Å; F6-F10 AromaticContact CZ-CD2 3.65Å; F6-F10 HydrophobicContact CZ-CD2 3.65Å; F6-F10 AromaticContact CZ-CE2 3.14Å; F6-F10 HydrophobicContact CZ-CE2 3.14Å; F6-F10 HydrophobicContact CZ-CZ 4.06Å; F6-F10 WeakPolarHBondContact O-CB 3.27Å; F6-F10 WeakPolarHBondContact O-CD2 2.91Å; F6-F10 PolarHBondContact O-N 3.11Å; I7-F10 CarbonylContact O-C 3.59Å; I7-F10 PolarHBondContact O-N 3.06Å; F10-S14 WeakPolarHBondContact O-CA 3.24Å; F10-S14 WeakPolarHBondContact O-CB 3.18Å; F10-S14 PolarHBondContact O-N 3.19Å; F10-V34 HydrophobicContact CE1-CG1 4.39Å; F10-V34 HydrophobicContact CZ-CG1 4.17Å
11S55.2Low56.6Low59 Ų59103.9 Ų103.941%0.41352%0.523SS..Hα-helixtrans-75.3-36.5179.574.40000111.1I7 E8 F9 S14 Y15I7-S11 WeakPolarHBondContact O-CA 3.04Å; I7-S11 WeakPolarHBondContact O-CB 3.31Å; I7-S11 PolarHBondContact O-N 3.41Å; I7-S11 PolarHBondContact O-OG 2.88Å; E8-S11 VanDerWaalsContact CA-OG 3.32Å; E8-S11 WeakPolarHBondContact CA-OG 3.5Å; E8-S11 PolarHBondContact O-N 3.06Å; E8-S11 PolarHBondContact O-OG 3.21Å; E8-S11 VanDerWaalsContact O-OG 3.11Å; F9-S11 PolarHBondContact O-N 3.05Å; S11-S14 PolarHBondContact O-N 2.7Å; S11-Y15 WeakPolarHBondContact O-CB 3.39Å; S11-Y15 PolarHBondContact O-N 3.28Å
12K47.7Very low57.7Low175 Ų17595 Ų9576%0.76148%0.479SS*.Hα-helixtrans-68.6-38.5174.7-162.6174.3-173.61790110.7E8 F9 G16E8-K12 WeakPolarHBondContact O-CB 3.03Å; E8-K12 PolarHBondContact O-N 3.48Å; F9-K12 PolarHBondContact O-N 3.26Å; K12-G16 PolarHBondContact O-N 3.08Å
13Y47.4Very low58.5Low126 Ų12690.3 Ų90.349%0.49445%0.45SS..Hα-helixtrans-70.1-34.6171-156.3-97.5000112.3F9F9-Y13 VanDerWaalsContact O-CB 3.24Å; F9-Y13 WeakPolarHBondContact O-CB 3.3Å; F9-Y13 PolarHBondContact O-N 3.48Å
14S46.1Very low59.6Low63 Ų6393.6 Ų93.644%0.44145%0.451SS..Hα-helixtrans-78.7-35.2-179.6-178.40000113.1F10 S11 R18F10-S14 WeakPolarHBondContact O-CA 3.24Å; F10-S14 WeakPolarHBondContact O-CB 3.18Å; F10-S14 PolarHBondContact O-N 3.19Å; S11-S14 PolarHBondContact O-N 2.7Å; S14-R18 WeakPolarHBondContact O-CG 2.87Å
15Y39.8Very low60.6Low177 Ų17786.1 Ų86.169%0.69442%0.419SS*.Hα-helixtrans-83.8-35.1-176.4-147.6-92.2000111.7S11 N17S11-Y15 WeakPolarHBondContact O-CB 3.39Å; S11-Y15 PolarHBondContact O-N 3.28Å; Y15-N17 VanDerWaalsContact C-N 3.31Å; Y15-N17 PolarHBondContact O-N 3.43Å
16G41.2Very low61.4Low63 Ų6382.9 Ų82.965%0.64940%0.402SS*.Hα-helixtrans-70-22.6175.800000114.7K12K12-G16 PolarHBondContact O-N 3.08Å
17N48.3Very low62.7Low84 Ų8482.5 Ų82.545%0.44940%0.397SS..THydrogen-bonded Turntrans-110.911.8-176.8-85.6-9.7000114.8Y15 V19 A20Y15-N17 VanDerWaalsContact C-N 3.31Å; Y15-N17 PolarHBondContact O-N 3.43Å; N17-V19 PolarHBondContact O-N 3.02Å; N17-V19 VanDerWaalsContact O-N 3.14Å; N17-A20 PolarHBondContact O-N 3.26Å
18R49.3Very low63.7Low165 Ų16578.1 Ų78.162%0.62338%0.375SS*.THydrogen-bonded Turntrans-63-20.1175.5-73.3-159.7-179.8-178.30.5113.4S14S14-R18 WeakPolarHBondContact O-CG 2.87Å
19V55.4Low65Low41 Ų4172.6 Ų72.625%0.24835%0.349CS..THydrogen-bonded Turntrans-105.957.1178.3-160.40000110.3N17 V144 K145 A148N17-V19 PolarHBondContact O-N 3.02Å; N17-V19 VanDerWaalsContact O-N 3.14Å; V19-V144 HydrophobicContact CG1-CB 3.81Å; V19-V144 HydrophobicContact CG1-CG1 3.32Å; V19-K145 HydrophobicContact CG1-CB 4.44Å; V19-A148 HydrophobicContact CG1-CB 4.2Å; V19-A148 HydrophobicContact CG2-CB 3.76Å
20A60.4Low66.2Low11 Ų1167.5 Ų67.59%0.09133%0.328CS..  trans-86.6137.3166.900000108.9N17 E22 N410N17-A20 PolarHBondContact O-N 3.26Å; A20-E22 HydrophobicContact CB-CB 4.07Å; A20-E22 HydrophobicContact CB-CG 3.87Å; A20-E22 PolarHBondContact O-N 2.85Å; A20-N410 PolarHBondContact O-OD1 3.38Å
21V70.4Confident67.8Low0 Ų068.1 Ų68.10%033%0.331CS..SBendtrans-74.360.8175.5-170.40000109.2W128 L140 F141 V144 M406V21-W128 HydrophobicContact CG1-CZ2 3.99Å; V21-W128 PolarHBondContact O-NE1 3.1Å; V21-L140 HydrophobicContact CB-CD2 4.49Å; V21-L140 HydrophobicContact CB-CG 4.43Å; V21-L140 HydrophobicContact CG1-CD2 3.55Å; V21-L140 HydrophobicContact CG1-CG 3.82Å; V21-L140 HydrophobicContact CG2-CB 4.47Å; V21-L140 HydrophobicContact CG2-CD2 4.37Å; V21-L140 HydrophobicContact CG2-CG 3.81Å; V21-F141 HydrophobicContact CB-CD1 4.5Å; V21-F141 HydrophobicContact CB-CE1 4.17Å; V21-F141 HydrophobicContact CG2-CD1 3.63Å; V21-F141 HydrophobicContact CG2-CE1 3.77Å; V21-F141 HydrophobicContact CG2-CG 4.12Å; V21-F141 HydrophobicContact CG2-CZ 4.38Å; V21-V144 HydrophobicContact CG2-CG2 3.96Å; V21-M406 HydrophobicContact CG1-CG 4.28Å; V21-M406 HydrophobicContact CG1-SD 4.25Å
22E77.2Confident69.6Low8 Ų865.3 Ų65.34%0.03731%0.312CS..  trans-137.8134.2-164.8-72.3-170.3160.700111.2A20 D26 R27 H125A20-E22 HydrophobicContact CB-CB 4.07Å; A20-E22 HydrophobicContact CB-CG 3.87Å; A20-E22 PolarHBondContact O-N 2.85Å; E22-D26 HydrophobicContact CB-CB 3.94Å; E22-D26 HydrophobicContact CG-CB 4.14Å; E22-R27 HydrophobicContact CB-CG 4.08Å; E22-R27 PolarHBondContact O-NE 3.27Å; E22-H125 IonicContact OE1-CE1 3.17Å; E22-H125 PolarHBondContact OE1-CE1 3.43Å; E22-H125 IonicContact OE1-CG 2.65Å; E22-H125 IonicContact OE1-ND1 3.89Å; E22-H125 PolarHBondContact OE1-ND1 3.16Å
23D82.9Confident71.7Confident22 Ų2257.9 Ų57.912%0.11828%0.281CS..  trans-77.2165.9172.4-167.214000110.4S25 D26 R27 S348 W352D23-S25 PolarHBondContact O-N 3.47Å; D23-S25 VanDerWaalsContact O-N 3.13Å; D23-D26 PolarHBondContact N-OD2 3.41Å; D23-D26 VanDerWaalsContact N-OD2 3.1Å; D23-D26 PolarHBondContact O-N 3.5Å; D23-R27 PolarHBondContact O-N 3.12Å; D23-R27 VanDerWaalsContact O-N 3.07Å; D23-S348 PolarHBondContact OD2-OG 3.15Å; D23-W352 PolarHBondContact OD2-NE1 3.5Å
24F85.8Confident73.7Confident138 Ų13854.1 Ų54.161%0.60527%0.271SS*.Hα-helixtrans-51.3-41.4-179.6178.2-105.7000112.8D26 R27 L28F24-D26 VanDerWaalsContact C-N 3.34Å; F24-D26 PolarHBondContact O-N 2.9Å; F24-R27 PolarHBondContact O-N 3.28Å; F24-L28 HydrophobicContact CD1-CD1 3.95Å; F24-L28 HydrophobicContact CD1-CG 4.43Å; F24-L28 HydrophobicContact CE1-CD1 3.46Å; F24-L28 VanDerWaalsContact CE1-CD1 3.46Å; F24-L28 HydrophobicContact CE1-CG 4.06Å; F24-L28 HydrophobicContact CZ-CD1 3.93Å; F24-L28 HydrophobicContact CZ-CD2 4.21Å; F24-L28 HydrophobicContact CZ-CG 4.12Å; F24-L28 WeakPolarHBondContact O-CG 3.35Å; F24-L28 PolarHBondContact O-N 3.48Å
25S88Confident75.9Confident5 Ų552.5 Ų52.54%0.03526%0.257CS..Hα-helixtrans-65-34.5177.4-169.60000113.5D23 L28 N29 S345D23-S25 PolarHBondContact O-N 3.47Å; D23-S25 VanDerWaalsContact O-N 3.13Å; S25-L28 PolarHBondContact O-N 3.33Å; S25-N29 PolarHBondContact O-N 3.05Å; S25-N29 VanDerWaalsContact O-N 3.09Å; S25-S345 WeakPolarHBondContact OG-CA 3.5Å; S25-S345 PolarHBondContact OG-N 3.05Å; S25-S345 PolarHBondContact OG-OG 3.44Å
26D86.6Confident78.4Confident17 Ų1744.1 Ų44.19%0.09122%0.224CC..Hα-helixtrans-73.4-38.2179.2-55.2-41.1000110.1E22 D23 F24 L28 N29 L30 Y212 K216E22-D26 HydrophobicContact CB-CB 3.94Å; E22-D26 HydrophobicContact CG-CB 4.14Å; D23-D26 PolarHBondContact N-OD2 3.41Å; D23-D26 VanDerWaalsContact N-OD2 3.1Å; D23-D26 PolarHBondContact O-N 3.5Å; F24-D26 VanDerWaalsContact C-N 3.34Å; F24-D26 PolarHBondContact O-N 2.9Å; D26-L28 VanDerWaalsContact C-N 3.3Å; D26-L28 PolarHBondContact O-N 3.5Å; D26-N29 CarbonylContact O-C 3.57Å; D26-N29 WeakPolarHBondContact O-CA 3.49Å; D26-N29 WeakPolarHBondContact O-CB 3.29Å; D26-N29 PolarHBondContact O-N 3.3Å; D26-N29 VanDerWaalsContact O-N 3.07Å; D26-L30 PolarHBondContact O-N 3.23Å; D26-Y212 PolarHBondContact OD2-OH 2.85Å; D26-K216 WeakPolarHBondContact OD1-CE 3.43Å; D26-K216 IonicContact OD1-NZ 2.83Å; D26-K216 PolarHBondContact OD1-NZ 3.36Å; D26-K216 WeakPolarHBondContact OD2-CE 3.37Å; D26-K216 IonicContact OD2-NZ 2.76Å; D26-K216 PolarHBondContact OD2-NZ 2.9Å
27R87.3Confident80.9Confident107 Ų10745.6 Ų45.640%0.40422%0.217SC..Hα-helixtrans-61.5-39.6173.1-62.7177.8-174.1-167.5-2.9111.7E22 D23 F24 N29 L30 F31 N410E22-R27 HydrophobicContact CB-CG 4.08Å; E22-R27 PolarHBondContact O-NE 3.27Å; D23-R27 PolarHBondContact O-N 3.12Å; D23-R27 VanDerWaalsContact O-N 3.07Å; F24-R27 PolarHBondContact O-N 3.28Å; R27-N29 VanDerWaalsContact C-N 3.33Å; R27-L30 PolarHBondContact O-N 2.82Å; R27-F31 WeakPolarHBondContact O-CB 3.43Å; R27-F31 PolarHBondContact O-N 3.02Å; R27-N410 PolarHBondContact NH2-OD1 3.38Å
28L89.4Confident83Confident22 Ų2245.5 Ų45.512%0.11522%0.216CC..Hα-helixtrans-62.2-41.5172.5-74.4177.5000111.4F24 S25 D26 F31 T32 F340 L341 A344F24-L28 HydrophobicContact CD1-CD1 3.95Å; F24-L28 HydrophobicContact CD1-CG 4.43Å; F24-L28 HydrophobicContact CE1-CD1 3.46Å; F24-L28 VanDerWaalsContact CE1-CD1 3.46Å; F24-L28 HydrophobicContact CE1-CG 4.06Å; F24-L28 HydrophobicContact CZ-CD1 3.93Å; F24-L28 HydrophobicContact CZ-CD2 4.21Å; F24-L28 HydrophobicContact CZ-CG 4.12Å; F24-L28 WeakPolarHBondContact O-CG 3.35Å; F24-L28 PolarHBondContact O-N 3.48Å; S25-L28 PolarHBondContact O-N 3.33Å; D26-L28 VanDerWaalsContact C-N 3.3Å; D26-L28 PolarHBondContact O-N 3.5Å; L28-F31 WeakPolarHBondContact O-CB 3.43Å; L28-F31 PolarHBondContact O-N 3.41Å; L28-T32 WeakPolarHBondContact O-CG2 3.39Å; L28-T32 PolarHBondContact O-N 2.99Å; L28-T32 VanDerWaalsContact O-N 3.11Å; L28-F340 HydrophobicContact CD1-CE1 3.93Å; L28-F340 HydrophobicContact CD1-CZ 4.39Å; L28-L341 HydrophobicContact CB-CD2 3.82Å; L28-A344 HydrophobicContact CD1-CB 4.33Å
29N89.6Confident85.1Confident14 Ų1438.3 Ų38.38%0.07519%0.191CC..Hα-helixtrans-64.2-38.8175.1-168.943.7000112.3S25 D26 R27 F31 T32 F121S25-N29 PolarHBondContact O-N 3.05Å; S25-N29 VanDerWaalsContact O-N 3.09Å; D26-N29 CarbonylContact O-C 3.57Å; D26-N29 WeakPolarHBondContact O-CA 3.49Å; D26-N29 WeakPolarHBondContact O-CB 3.29Å; D26-N29 PolarHBondContact O-N 3.3Å; D26-N29 VanDerWaalsContact O-N 3.07Å; R27-N29 VanDerWaalsContact C-N 3.33Å; N29-F31 VanDerWaalsContact C-N 3.34Å; N29-T32 PolarHBondContact O-N 3.24Å; N29-T32 PolarHBondContact O-OG1 3.01Å; N29-F121 PolarHBondContact ND2-O 2.76Å; N29-F121 WeakPolarHBondContact OD1-CD1 3.37Å
30L87.5Confident87Confident33 Ų3337.3 Ų37.317%0.17319%0.186CC..Hα-helixtrans-67.6-36.3174.4-173.463.5000112D26 R27 T32 V33 Y122D26-L30 PolarHBondContact O-N 3.23Å; R27-L30 PolarHBondContact O-N 2.82Å; L30-T32 PolarHBondContact O-N 3.33Å; L30-V33 WeakPolarHBondContact O-CB 3.41Å; L30-V33 PolarHBondContact O-N 2.83Å; L30-Y122 HydrophobicContact CD1-CD2 4.24Å; L30-Y122 HydrophobicContact CD1-CE2 4.2Å
31F89.6Confident88.5Confident101 Ų10141.9 Ų41.944%0.44321%0.208SC..Hα-helixtrans-62.8-30174.2-177.7-106.3000112.2R27 L28 N29 V34 L35 W337R27-F31 WeakPolarHBondContact O-CB 3.43Å; R27-F31 PolarHBondContact O-N 3.02Å; L28-F31 WeakPolarHBondContact O-CB 3.43Å; L28-F31 PolarHBondContact O-N 3.41Å; N29-F31 VanDerWaalsContact C-N 3.34Å; F31-V34 WeakPolarHBondContact O-CB 3.29Å; F31-V34 PolarHBondContact O-N 2.98Å; F31-L35 HydrophobicContact CD1-CD1 3.9Å; F31-L35 HydrophobicContact CD1-CG 4.12Å; F31-L35 HydrophobicContact CE1-CD1 3.66Å; F31-L35 HydrophobicContact CE1-CD2 3.92Å; F31-L35 HydrophobicContact CE1-CG 3.83Å; F31-L35 HydrophobicContact CZ-CD2 3.98Å; F31-L35 HydrophobicContact CZ-CG 4.27Å; F31-L35 PolarHBondContact O-N 3.37Å; F31-L35 VanDerWaalsContact O-N 3.08Å; F31-W337 HydrophobicContact CD1-CH2 4.13Å; F31-W337 AromaticContact CD1-CZ2 3.7Å; F31-W337 HydrophobicContact CD1-CZ2 3.7Å; F31-W337 HydrophobicContact CE1-CH2 4.01Å; F31-W337 AromaticContact CE1-CZ2 3.97Å; F31-W337 HydrophobicContact CE1-CZ2 3.97Å
32T91.6Very high89.6Confident0 Ų045.7 Ų45.70%023%0.227CC..Hα-helixtrans-69.6-34.5178.172.60000112.9L28 N29 L30 V34 L35 F36 L341L28-T32 WeakPolarHBondContact O-CG2 3.39Å; L28-T32 PolarHBondContact O-N 2.99Å; L28-T32 VanDerWaalsContact O-N 3.11Å; N29-T32 PolarHBondContact O-N 3.24Å; N29-T32 PolarHBondContact O-OG1 3.01Å; L30-T32 PolarHBondContact O-N 3.33Å; T32-V34 PolarHBondContact O-N 3.35Å; T32-L35 WeakPolarHBondContact O-CB 3.41Å; T32-L35 PolarHBondContact O-N 2.97Å; T32-L35 VanDerWaalsContact O-N 3.09Å; T32-F36 WeakPolarHBondContact O-CD2 3.24Å; T32-F36 PolarHBondContact O-N 3.36Å; T32-L341 HydrophobicContact CG2-CD1 3.24Å; T32-L341 HydrophobicContact CG2-CD2 3.66Å; T32-L341 HydrophobicContact CG2-CG 3.97Å
33V91.4Very high90.4Very high18 Ų1845.3 Ų45.311%0.10923%0.225CC..Hα-helixtrans-55.4-43.5171.7-178.90000109.6L30 F36 L37 C118 F121 Y122L30-V33 WeakPolarHBondContact O-CB 3.41Å; L30-V33 PolarHBondContact O-N 2.83Å; V33-F36 PolarHBondContact O-N 3.43Å; V33-L37 WeakPolarHBondContact O-CB 3.47Å; V33-L37 PolarHBondContact O-N 3.41Å; V33-C118 VanDerWaalsContact CG1-SG 3.55Å; V33-C118 PolarHBondContact O-SG 2.81Å; V33-C118 VanDerWaalsContact O-SG 3.4Å; V33-F121 HydrophobicContact CG2-CB 3.8Å; V33-Y122 HydrophobicContact CG1-CD2 4.38Å; V33-Y122 HydrophobicContact CG2-CD2 4.44Å
34V90.5Very high90.8Very high48 Ų4845.7 Ų45.729%0.29123%0.23SC..Hα-helixtrans-64.9-42.1176.5-177.60000111.6F10 F31 T32 L37 L38F10-V34 HydrophobicContact CE1-CG1 4.39Å; F10-V34 HydrophobicContact CZ-CG1 4.17Å; F31-V34 WeakPolarHBondContact O-CB 3.29Å; F31-V34 PolarHBondContact O-N 2.98Å; T32-V34 PolarHBondContact O-N 3.35Å; V34-L37 PolarHBondContact O-N 3.32Å; V34-L38 WeakPolarHBondContact O-CB 3.35Å; V34-L38 PolarHBondContact O-N 3.25Å
35L92.3Very high91.1Very high29 Ų2942 Ų4215%0.15222%0.219CC..Hα-helixtrans-62.7-45.1177-67.2176.4000112.2F31 T32 L38 S39 F333 F334 W337F31-L35 HydrophobicContact CD1-CD1 3.9Å; F31-L35 HydrophobicContact CD1-CG 4.12Å; F31-L35 HydrophobicContact CE1-CD1 3.66Å; F31-L35 HydrophobicContact CE1-CD2 3.92Å; F31-L35 HydrophobicContact CE1-CG 3.83Å; F31-L35 HydrophobicContact CZ-CD2 3.98Å; F31-L35 HydrophobicContact CZ-CG 4.27Å; F31-L35 PolarHBondContact O-N 3.37Å; F31-L35 VanDerWaalsContact O-N 3.08Å; T32-L35 WeakPolarHBondContact O-CB 3.41Å; T32-L35 PolarHBondContact O-N 2.97Å; T32-L35 VanDerWaalsContact O-N 3.09Å; L35-L38 PolarHBondContact O-N 3.27Å; L35-S39 WeakPolarHBondContact O-CB 3.48Å; L35-S39 PolarHBondContact O-N 3.45Å; L35-S39 PolarHBondContact O-OG 3.14Å; L35-F333 HydrophobicContact CD1-CE1 4.14Å; L35-F333 HydrophobicContact CD1-CZ 4.18Å; L35-F334 HydrophobicContact CB-CE1 3.95Å; L35-F334 HydrophobicContact CB-CZ 4.21Å; L35-W337 HydrophobicContact CD1-CD2 4.14Å; L35-W337 HydrophobicContact CD1-CZ2 3.98Å
36F92.9Very high91.2Very high0 Ų044.1 Ų44.10%023%0.227CC..Hα-helixtrans-63.6-44176.7-87.8-70.7000112T32 V33 L38 S39 C40 L114 Q117 C118 F121 F334 I338T32-F36 WeakPolarHBondContact O-CD2 3.24Å; T32-F36 PolarHBondContact O-N 3.36Å; V33-F36 PolarHBondContact O-N 3.43Å; F36-L38 PolarHBondContact O-N 3.37Å; F36-S39 PolarHBondContact O-N 3.45Å; F36-C40 VanDerWaalsContact O-CB 3.28Å; F36-C40 WeakPolarHBondContact O-CB 3.21Å; F36-C40 PolarHBondContact O-N 3.04Å; F36-L114 HydrophobicContact CD1-CD2 3.89Å; F36-L114 HydrophobicContact CE1-CD2 3.91Å; F36-Q117 HydrophobicContact CD1-CB 4.08Å; F36-Q117 HydrophobicContact CE1-CB 3.96Å; F36-Q117 HydrophobicContact CZ-CB 4.39Å; F36-C118 HydrophobicContact CB-CB 3.84Å; F36-F121 AromaticContact CD2-CD2 3.72Å; F36-F121 HydrophobicContact CD2-CD2 3.72Å; F36-F121 HydrophobicContact CD2-CE2 4.01Å; F36-F121 AromaticContact CE2-CD2 3.46Å; F36-F121 HydrophobicContact CE2-CD2 3.46Å; F36-F121 VanDerWaalsContact CE2-CD2 3.46Å; F36-F121 AromaticContact CE2-CE2 3.24Å; F36-F121 HydrophobicContact CE2-CE2 3.24Å; F36-F121 HydrophobicContact CE2-CZ 4.29Å; F36-F121 HydrophobicContact CZ-CD2 4.31Å; F36-F121 AromaticContact CZ-CE2 3.88Å; F36-F121 HydrophobicContact CZ-CE2 3.88Å; F36-F334 HydrophobicContact CB-CZ 4.45Å; F36-F334 HydrophobicContact CD1-CD1 4.39Å; F36-F334 HydrophobicContact CD1-CD2 4.46Å; F36-F334 AromaticContact CD1-CE1 3.9Å; F36-F334 HydrophobicContact CD1-CE1 3.9Å; F36-F334 AromaticContact CD1-CE2 3.95Å; F36-F334 HydrophobicContact CD1-CE2 3.95Å; F36-F334 AromaticContact CD1-CZ 3.67Å; F36-F334 HydrophobicContact CD1-CZ 3.67Å; F36-F334 HydrophobicContact CD2-CD1 4.27Å; F36-F334 AromaticContact CD2-CE1 3.73Å; F36-F334 HydrophobicContact CD2-CE1 3.73Å; F36-F334 HydrophobicContact CD2-CZ 4.24Å; F36-F334 AromaticContact CE1-CD1 3.81Å; F36-F334 HydrophobicContact CE1-CD1 3.81Å; F36-F334 AromaticContact CE1-CD2 3.9Å; F36-F334 HydrophobicContact CE1-CD2 3.9Å; F36-F334 AromaticContact CE1-CE1 3.78Å; F36-F334 HydrophobicContact CE1-CE1 3.78Å; F36-F334 AromaticContact CE1-CE2 3.86Å; F36-F334 HydrophobicContact CE1-CE2 3.86Å; F36-F334 AromaticContact CE1-CG 3.88Å; F36-F334 HydrophobicContact CE1-CG 3.88Å; F36-F334 AromaticContact CE1-CZ 3.82Å; F36-F334 HydrophobicContact CE1-CZ 3.82Å; F36-F334 AromaticContact CE2-CD1 3.65Å; F36-F334 HydrophobicContact CE2-CD1 3.65Å; F36-F334 AromaticContact CE2-CE1 3.6Å; F36-F334 HydrophobicContact CE2-CE1 3.6Å; F36-F334 HydrophobicContact CE2-CG 4.46Å; F36-F334 HydrophobicContact CE2-CZ 4.36Å; F36-F334 AromaticContact CG-CE1 3.86Å; F36-F334 HydrophobicContact CG-CE1 3.86Å; F36-F334 AromaticContact CG-CZ 3.88Å; F36-F334 HydrophobicContact CG-CZ 3.88Å; F36-F334 HydrophobicContact CZ-CB 4.35Å; F36-F334 AromaticContact CZ-CD1 3.4Å; F36-F334 HydrophobicContact CZ-CD1 3.4Å; F36-F334 HydrophobicContact CZ-CD2 4.27Å; F36-F334 AromaticContact CZ-CE1 3.64Å; F36-F334 HydrophobicContact CZ-CE1 3.64Å; F36-F334 HydrophobicContact CZ-CE2 4.45Å; F36-F334 AromaticContact CZ-CG 3.77Å; F36-F334 HydrophobicContact CZ-CG 3.77Å; F36-F334 HydrophobicContact CZ-CZ 4.17Å; F36-I338 HydrophobicContact CE2-CD1 4.48Å; F36-I338 HydrophobicContact CZ-CD1 4.09Å
37L92.4Very high91.3Very high95 Ų9543.9 Ų43.950%0.49723%0.226SC..Hα-helixtrans-59.5-47.7176.2-175.266.2000111.2V33 V34 S39 C40 L41V33-L37 WeakPolarHBondContact O-CB 3.47Å; V33-L37 PolarHBondContact O-N 3.41Å; V34-L37 PolarHBondContact O-N 3.32Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.01Å; L37-C40 WeakPolarHBondContact O-CB 3.3Å; L37-C40 PolarHBondContact O-N 3.3Å; L37-L41 HydrophobicContact CG-CD1 4.49Å; L37-L41 VanDerWaalsContact O-CG 3.32Å; L37-L41 WeakPolarHBondContact O-CG 3.5Å; L37-L41 PolarHBondContact O-N 3.23Å
38L93.4Very high91.3Very high82 Ų8245.1 Ų45.143%0.42923%0.231SC..Hα-helixtrans-62.2-42.1177.9-178.5135.3000111.8V34 L35 F36 L41 I42V34-L38 WeakPolarHBondContact O-CB 3.35Å; V34-L38 PolarHBondContact O-N 3.25Å; L35-L38 PolarHBondContact O-N 3.27Å; F36-L38 PolarHBondContact O-N 3.37Å; L38-L41 PolarHBondContact O-N 2.94Å; L38-I42 HydrophobicContact CD2-CD1 3.51Å; L38-I42 HydrophobicContact CG-CD1 4.15Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.33Å; L38-I42 PolarHBondContact O-N 3.12Å
39S93.6Very high91.2Very high13 Ų1352.5 Ų52.59%0.09126%0.263CS..Hα-helixtrans-66.9-40.5178.3-580000111.8L35 F36 L37 L41 I42 V43 F334L35-S39 WeakPolarHBondContact O-CB 3.48Å; L35-S39 PolarHBondContact O-N 3.45Å; L35-S39 PolarHBondContact O-OG 3.14Å; F36-S39 PolarHBondContact O-N 3.45Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.01Å; S39-L41 VanDerWaalsContact C-N 3.34Å; S39-L41 PolarHBondContact O-N 3.32Å; S39-I42 PolarHBondContact O-N 3.34Å; S39-V43 WeakPolarHBondContact O-CG2 3.48Å; S39-V43 PolarHBondContact O-N 3.07Å; S39-F334 WeakPolarHBondContact OG-CE2 3.39Å; S39-F334 WeakPolarHBondContact OG-CZ 3.49Å
40C93.8Very high91.1Very high21 Ų2156.8 Ų56.814%0.14228%0.284CS..Hα-helixtrans-59.3-44.3173.1-179.50000111.5F36 L37 S44 P111 L114F36-C40 VanDerWaalsContact O-CB 3.28Å; F36-C40 WeakPolarHBondContact O-CB 3.21Å; F36-C40 PolarHBondContact O-N 3.04Å; L37-C40 WeakPolarHBondContact O-CB 3.3Å; L37-C40 PolarHBondContact O-N 3.3Å; C40-S44 WeakPolarHBondContact O-CB 3.49Å; C40-S44 PolarHBondContact O-N 2.63Å; C40-S44 PolarHBondContact O-OG 2.67Å; C40-P111 PolarHBondContact SG-O 2.92Å; C40-L114 HydrophobicContact CB-CB 4.03Å
41L93.1Very high90.8Very high106 Ų10659 Ų5956%0.55530%0.302SS*.Hα-helixtrans-63.6-44.1176.4-70.2171.8000112.2L37 L38 S39 T45L37-L41 HydrophobicContact CG-CD1 4.49Å; L37-L41 VanDerWaalsContact O-CG 3.32Å; L37-L41 WeakPolarHBondContact O-CG 3.5Å; L37-L41 PolarHBondContact O-N 3.23Å; L38-L41 PolarHBondContact O-N 2.94Å; S39-L41 VanDerWaalsContact C-N 3.34Å; S39-L41 PolarHBondContact O-N 3.32Å; L41-T45 WeakPolarHBondContact O-CB 3.44Å; L41-T45 PolarHBondContact O-N 3.12Å; L41-T45 PolarHBondContact O-OG1 2.94Å
42I93.3Very high90.6Very high80 Ų8054.8 Ų54.841%0.4129%0.285SS..Hα-helixtrans-63.2-49.6178.9-68.3169.7000110.7L38 S39 T45 K46 L326L38-I42 HydrophobicContact CD2-CD1 3.51Å; L38-I42 HydrophobicContact CG-CD1 4.15Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.33Å; L38-I42 PolarHBondContact O-N 3.12Å; S39-I42 PolarHBondContact O-N 3.34Å; I42-T45 PolarHBondContact O-N 3.47Å; I42-K46 PolarHBondContact O-N 3.23Å; I42-L326 HydrophobicContact CG2-CD2 4.08Å
43V92.8Very high90.6Very high0 Ų055 Ų550%029%0.286CS..Hα-helixtrans-63.7-44.3-180175.30000110.7S39 T45 K46 Q47 V110 P111 L114 I323 L326 I330S39-V43 WeakPolarHBondContact O-CG2 3.48Å; S39-V43 PolarHBondContact O-N 3.07Å; V43-T45 VanDerWaalsContact C-N 3.31Å; V43-T45 PolarHBondContact O-N 3Å; V43-K46 PolarHBondContact O-N 3.37Å; V43-Q47 VanDerWaalsContact O-CB 3.29Å; V43-Q47 WeakPolarHBondContact O-CB 3.36Å; V43-Q47 PolarHBondContact O-N 3.46Å; V43-V110 HydrophobicContact CG1-CB 4.42Å; V43-V110 HydrophobicContact CG1-CG1 3.94Å; V43-P111 HydrophobicContact CG1-CB 4.36Å; V43-L114 HydrophobicContact CB-CD1 4.42Å; V43-L114 HydrophobicContact CG2-CD1 4Å; V43-I323 HydrophobicContact CG1-CD1 4.49Å; V43-L326 HydrophobicContact CG2-CD2 4.08Å; V43-I330 HydrophobicContact CG2-CD1 3.42Å; V43-I330 VanDerWaalsContact CG2-CD1 3.42Å
44S92.5Very high90.6Very high30 Ų3057 Ų5721%0.2130%0.301CS..Hα-helixtrans-61-40.8176.7-60.20000111.8C40 K46 Q47 Y48 P111C40-S44 WeakPolarHBondContact O-CB 3.49Å; C40-S44 PolarHBondContact O-N 2.63Å; C40-S44 PolarHBondContact O-OG 2.67Å; S44-K46 VanDerWaalsContact C-N 3.34Å; S44-K46 PolarHBondContact O-N 3.33Å; S44-Q47 PolarHBondContact O-N 3.4Å; S44-Y48 VanDerWaalsContact O-CD2 3.31Å; S44-Y48 WeakPolarHBondContact O-CD2 3.4Å; S44-Y48 PolarHBondContact O-N 2.89Å; S44-P111 VanDerWaalsContact OG-CB 3.31Å; S44-P111 WeakPolarHBondContact OG-CB 3.37Å
45T91.6Very high90.8Very high60 Ų6056 Ų5637%0.36830%0.296SS..Hα-helixtrans-61.4-45.6176.2-56.60000110.8L41 I42 V43 Q47 F49 M50L41-T45 WeakPolarHBondContact O-CB 3.44Å; L41-T45 PolarHBondContact O-N 3.12Å; L41-T45 PolarHBondContact O-OG1 2.94Å; I42-T45 PolarHBondContact O-N 3.47Å; V43-T45 VanDerWaalsContact C-N 3.31Å; V43-T45 PolarHBondContact O-N 3Å; T45-Q47 VanDerWaalsContact C-N 3.31Å; T45-Q47 PolarHBondContact O-N 3.49Å; T45-F49 HydrophobicContact CG2-CB 4.45Å; T45-F49 HydrophobicContact CG2-CD2 4.38Å; T45-F49 WeakPolarHBondContact O-CB 3.36Å; T45-F49 PolarHBondContact O-N 2.95Å; T45-F49 VanDerWaalsContact O-N 3.08Å; T45-M50 HydrophobicContact CG2-CE 4.25Å; T45-M50 PolarHBondContact O-N 3.3Å
46K90.7Very high90.8Very high50 Ų5061.8 Ų61.822%0.21732%0.316CS..Hα-helixtrans-67-32178.5-172.761.4-1781270112.8I42 V43 S44 M50 S51 L326I42-K46 PolarHBondContact O-N 3.23Å; V43-K46 PolarHBondContact O-N 3.37Å; S44-K46 VanDerWaalsContact C-N 3.34Å; S44-K46 PolarHBondContact O-N 3.33Å; K46-M50 HydrophobicContact CD-CB 4.04Å; K46-M50 HydrophobicContact CD-CG 4.4Å; K46-M50 HydrophobicContact CD-SD 3.6Å; K46-S51 PolarHBondContact NZ-O 3Å; K46-L326 HydrophobicContact CB-CD2 4.45Å
47Q89.2Confident90.8Very high13 Ų1362.7 Ų62.76%0.06132%0.321CS..Hα-helixtrans-81.8-39.4-176.2-177.8165.5-32.500113.4V43 S44 T45 W75 Y107 Q108 P111 I323V43-Q47 VanDerWaalsContact O-CB 3.29Å; V43-Q47 WeakPolarHBondContact O-CB 3.36Å; V43-Q47 PolarHBondContact O-N 3.46Å; S44-Q47 PolarHBondContact O-N 3.4Å; T45-Q47 VanDerWaalsContact C-N 3.31Å; T45-Q47 PolarHBondContact O-N 3.49Å; Q47-W75 HydrophobicContact CG-CH2 4.21Å; Q47-W75 HydrophobicContact CG-CZ2 3.67Å; Q47-Y107 PolarHBondContact OE1-O 3.09Å; Q47-Q108 PolarHBondContact NE2-O 2.83Å; Q47-Q108 VanDerWaalsContact NE2-O 3.09Å; Q47-P111 VanDerWaalsContact OE1-CD 3.29Å; Q47-I323 HydrophobicContact CB-CD1 4Å; Q47-I323 HydrophobicContact CG-CD1 4.37Å
48Y86.6Confident90.5Very high133 Ų13362.9 Ų62.952%0.52233%0.328SS..Hα-helixtrans-104.3-31.1-172.4-65.6-68.3000114.4S44 F112S44-Y48 VanDerWaalsContact O-CD2 3.31Å; S44-Y48 WeakPolarHBondContact O-CD2 3.4Å; S44-Y48 PolarHBondContact O-N 2.89Å; Y48-F112 VanDerWaalsContact OH-CZ 3.31Å; Y48-F112 WeakPolarHBondContact OH-CZ 3.15Å
49F87.5Confident90.2Very high177 Ų17763.8 Ų63.878%0.77634%0.337SS*.THydrogen-bonded Turntrans-99.8-21.7-177.6-67.3-90.7000113.3T45T45-F49 HydrophobicContact CG2-CB 4.45Å; T45-F49 HydrophobicContact CG2-CD2 4.38Å; T45-F49 WeakPolarHBondContact O-CB 3.36Å; T45-F49 PolarHBondContact O-N 2.95Å; T45-F49 VanDerWaalsContact O-N 3.08Å
50M86Confident89.8Confident104 Ų10468.6 Ų68.651%0.51236%0.356SS..SBendtrans-116.1164.3-179.9-56.9-176.1-170.600110.5T45 K46 S52T45-M50 HydrophobicContact CG2-CE 4.25Å; T45-M50 PolarHBondContact O-N 3.3Å; K46-M50 HydrophobicContact CD-CB 4.04Å; K46-M50 HydrophobicContact CD-CG 4.4Å; K46-M50 HydrophobicContact CD-SD 3.6Å; M50-S52 PolarHBondContact O-N 3.17Å
51S82.5Confident89.3Confident80 Ų8068.4 Ų68.456%0.55936%0.355SS*.  trans-64.2116.4170.149.80000110.3K46K46-S51 PolarHBondContact NZ-O 3Å
52S84.2Confident88.5Confident11 Ų1170.5 Ų70.58%0.07737%0.372CS..SBendtrans-82.4-32.9178.3570000112.1M50M50-S52 PolarHBondContact O-N 3.17Å
53I91.3Very high88Confident5 Ų568.3 Ų68.33%0.02637%0.369CS..  trans-136.2149.6-177.2-175.4165.7000109.7T71 C74 W75 T79 C319 L321I53-T71 HydrophobicContact CG2-CG2 3.68Å; I53-C74 HydrophobicContact CD1-CB 4.34Å; I53-W75 HydrophobicContact CB-CE3 4.18Å; I53-W75 HydrophobicContact CG2-CB 3.93Å; I53-W75 HydrophobicContact CG2-CD2 4.45Å; I53-W75 HydrophobicContact CG2-CE3 3.96Å; I53-W75 HydrophobicContact CG2-CG 4.47Å; I53-T79 HydrophobicContact CD1-CG2 3.91Å; I53-C319 HydrophobicContact CD1-CB 3.73Å; I53-C319 HydrophobicContact CG1-CB 3.83Å; I53-L321 HydrophobicContact CD1-CG 4.45Å
54S92.6Very high87.4Confident60 Ų6075.2 Ų75.242%0.4241%0.406SS..EExtended strand (participates in β ladder)trans-138.3118.8174.7-62.90000109.3C319 A320S54-C319 CarbonylContact O-C 3.6Å; S54-C319 WeakPolarHBondContact O-CA 3.4Å; S54-A320 PolarHBondContact N-O 3.27Å; S54-A320 VanDerWaalsContact N-O 3.09Å; S54-A320 PolarHBondContact O-N 3.17Å
55C94.6Very high87.1Confident27 Ų2780.1 Ų80.118%0.18243%0.43CS..EExtended strand (participates in β ladder)trans-108.1140.2-173.9-620000111.9L70 A317 Q318 C319C55-L70 HydrophobicContact CB-CD2 4.39Å; C55-A317 HydrophobicContact CB-CB 4.32Å; C55-Q318 CarbonylContact C-O 3.57Å; C55-Q318 WeakPolarHBondContact CA-O 3.31Å; C55-C319 HydrophobicContact CB-CB 4.13Å; C55-C319 WeakPolarHBondContact CB-SG 3.34Å; C55-C319 WeakPolarHBondContact SG-CB 3.46Å; C55-C319 CovalentContact SG-SG 2.05Å; C55-C319 PolarHBondContact SG-SG 2.93Å
56Y93Very high86.9Confident150 Ų15078.2 Ų78.259%0.58842%0.417SS*.EExtended strand (participates in β ladder)trans-113.1133.9173.4174.5-103.4000109.5A317 Q318Y56-A317 WeakPolarHBondContact O-CA 3.33Å; Y56-Q318 PolarHBondContact N-O 3.15Å; Y56-Q318 PolarHBondContact O-N 3.29Å
57I91.3Very high86.9Confident20 Ų2079.3 Ų79.310%0.10343%0.425CS..  trans-135.9129.5174-169.7173.2000109V59 K60 F66 L70 Y315 A317I57-V59 VanDerWaalsContact CD1-O 3.28Å; I57-V59 WeakPolarHBondContact CD1-O 3.24Å; I57-V59 WeakPolarHBondContact CG1-O 3.38Å; I57-K60 HydrophobicContact CG2-CB 4.4Å; I57-F66 HydrophobicContact CD1-CE1 4.18Å; I57-L70 HydrophobicContact CB-CD2 4.13Å; I57-L70 HydrophobicContact CD1-CD2 4.46Å; I57-L70 HydrophobicContact CG2-CD2 3.94Å; I57-Y315 HydrophobicContact CD1-CD1 3.83Å; I57-Y315 HydrophobicContact CD1-CG 4.18Å; I57-A317 HydrophobicContact CB-CB 4.44Å
58P87.7Confident86.9Confident99 Ų9981.3 Ų81.364%0.64344%0.443SS*.SBendtrans-71.7-31.9-177.826.9-34.4000112.8
59V86.5Confident87.1Confident100 Ų10080.4 Ų80.461%0.60644%0.44SS*.SBendtrans-125.8112-178.2-175.80000109.1I57I57-V59 VanDerWaalsContact CD1-O 3.28Å; I57-V59 WeakPolarHBondContact CD1-O 3.24Å; I57-V59 WeakPolarHBondContact CG1-O 3.38Å
60K84.8Confident87.3Confident114 Ų11472.1 Ų72.150%0.49640%0.404SS..  trans-101.8143.217565.7174.8-174.9167.30110.8I57 F66I57-K60 HydrophobicContact CG2-CB 4.4Å; K60-F66 HydrophobicContact CB-CD1 4.18Å
61P83Confident87.6Confident18 Ų1868.8 Ų68.812%0.11739%0.389CS..  trans-63.5161.8167.828.7-34000110.9G63 F66 L308P61-G63 VanDerWaalsContact C-N 3.35Å; P61-G63 PolarHBondContact O-N 3.09Å; P61-F66 VanDerWaalsContact CD-CD1 3.47Å; P61-F66 VanDerWaalsContact CD-CE1 3.47Å; P61-F66 HydrophobicContact CG-CB 4.25Å; P61-F66 HydrophobicContact CG-CD1 3.88Å; P61-F66 HydrophobicContact CG-CD2 3.35Å; P61-F66 HydrophobicContact CG-CE1 4.01Å; P61-F66 HydrophobicContact CG-CE2 3.51Å; P61-F66 HydrophobicContact CG-CG 3.53Å; P61-F66 HydrophobicContact CG-CZ 3.82Å; P61-L308 HydrophobicContact CB-CD1 4.32Å
62T78Confident88Confident149 Ų14969.9 Ų69.991%0.91439%0.389SS*.SBendtrans-67.590.7175.445.40000110.1
63G80.7Confident88.4Confident35 Ų3571.9 Ų71.936%0.36140%0.395SS..  trans-174.4124.8173.900000110.8P61 N65 F66P61-G63 VanDerWaalsContact C-N 3.35Å; P61-G63 PolarHBondContact O-N 3.09Å; G63-N65 VanDerWaalsContact C-N 3.29Å; G63-N65 PolarHBondContact O-N 3.49Å; G63-F66 WeakPolarHBondContact O-CB 3.45Å; G63-F66 PolarHBondContact O-N 3.07Å
64D80.6Confident88.5Confident145 Ų14571.7 Ų71.778%0.77539%0.394SS*.THydrogen-bonded Turntrans-66.3-31.9-174-66.1-30.4000112.8F66D64-F66 VanDerWaalsContact C-N 3.34Å; D64-F66 PolarHBondContact O-N 3.43Å
65N86.7Confident88.4Confident132 Ų13270.6 Ų70.671%0.70638%0.381SS*.THydrogen-bonded Turntrans-88.74.4-178-64.7-23.5000114G63 N67 A68 Y69G63-N65 VanDerWaalsContact C-N 3.29Å; G63-N65 PolarHBondContact O-N 3.49Å; N65-N67 VanDerWaalsContact C-N 3.31Å; N65-N67 PolarHBondContact O-N 2.94Å; N65-A68 PolarHBondContact O-N 3.14Å; N65-Y69 PolarHBondContact O-N 2.84Å; N65-Y69 VanDerWaalsContact O-N 3.16Å
66F88.4Confident88.2Confident21 Ų2174.2 Ų74.29%0.09240%0.402CS..Hα-helixtrans-61.6-38.5-176.8-176.9-101.4000112.7I57 K60 P61 G63 D64 A68 Y69 L70 I306 Y315I57-F66 HydrophobicContact CD1-CE1 4.18Å; K60-F66 HydrophobicContact CB-CD1 4.18Å; P61-F66 VanDerWaalsContact CD-CD1 3.47Å; P61-F66 VanDerWaalsContact CD-CE1 3.47Å; P61-F66 HydrophobicContact CG-CB 4.25Å; P61-F66 HydrophobicContact CG-CD1 3.88Å; P61-F66 HydrophobicContact CG-CD2 3.35Å; P61-F66 HydrophobicContact CG-CE1 4.01Å; P61-F66 HydrophobicContact CG-CE2 3.51Å; P61-F66 HydrophobicContact CG-CG 3.53Å; P61-F66 HydrophobicContact CG-CZ 3.82Å; G63-F66 WeakPolarHBondContact O-CB 3.45Å; G63-F66 PolarHBondContact O-N 3.07Å; D64-F66 VanDerWaalsContact C-N 3.34Å; D64-F66 PolarHBondContact O-N 3.43Å; F66-A68 VanDerWaalsContact C-N 3.34Å; F66-A68 PolarHBondContact O-N 2.89Å; F66-Y69 HydrophobicContact CD2-CD1 4.49Å; F66-Y69 HydrophobicContact CE2-CD1 4.38Å; F66-Y69 PolarHBondContact O-N 2.88Å; F66-L70 HydrophobicContact CE1-CB 4.35Å; F66-L70 HydrophobicContact CE1-CD2 4.2Å; F66-L70 VanDerWaalsContact O-CB 3.24Å; F66-L70 WeakPolarHBondContact O-CB 3.21Å; F66-L70 PolarHBondContact O-N 3.02Å; F66-I306 HydrophobicContact CE2-CD1 3.47Å; F66-I306 VanDerWaalsContact CE2-CD1 3.47Å; F66-I306 HydrophobicContact CE2-CG1 4.46Å; F66-I306 HydrophobicContact CZ-CD1 3.67Å; F66-Y315 HydrophobicContact CZ-CD2 4.44Å; F66-Y315 HydrophobicContact CZ-CG 4.41Å
67N89.4Confident88.1Confident73 Ų7370 Ų7039%0.3939%0.387SS..Hα-helixtrans-65.6-36.2-179.6-72.1-18.9000112.6N65 T71N65-N67 VanDerWaalsContact C-N 3.31Å; N65-N67 PolarHBondContact O-N 2.94Å; N67-T71 WeakPolarHBondContact O-CB 3.26Å; N67-T71 PolarHBondContact O-N 2.98Å; N67-T71 PolarHBondContact O-OG1 2.97Å
68A89.8Confident88Confident54 Ų5469.2 Ų69.245%0.44638%0.384SS..Hα-helixtrans-67.2-50.1175.600000110.3N65 F66 L70 T71 D72N65-A68 PolarHBondContact O-N 3.14Å; F66-A68 VanDerWaalsContact C-N 3.34Å; F66-A68 PolarHBondContact O-N 2.89Å; A68-L70 VanDerWaalsContact C-N 3.33Å; A68-L70 PolarHBondContact O-N 3.33Å; A68-T71 PolarHBondContact O-N 3.31Å; A68-T71 VanDerWaalsContact O-N 3.16Å; A68-D72 PolarHBondContact O-N 3.04Å
69Y90.3Very high88.2Confident115 Ų11564.5 Ų64.545%0.45135%0.354SS..Hα-helixtrans-55.7-45.8174.6170.7-99.3000112.6N65 F66 T71 D72 Y73 V303N65-Y69 PolarHBondContact O-N 2.84Å; N65-Y69 VanDerWaalsContact O-N 3.16Å; F66-Y69 HydrophobicContact CD2-CD1 4.49Å; F66-Y69 HydrophobicContact CE2-CD1 4.38Å; F66-Y69 PolarHBondContact O-N 2.88Å; Y69-T71 VanDerWaalsContact C-N 3.35Å; Y69-T71 PolarHBondContact O-N 2.9Å; Y69-D72 PolarHBondContact O-N 3.38Å; Y69-Y73 WeakPolarHBondContact O-CB 3.42Å; Y69-Y73 PolarHBondContact O-N 2.91Å; Y69-V303 HydrophobicContact CE1-CG1 4.3Å
70L92.2Very high88.3Confident2 Ų260.1 Ų60.11%0.0133%0.327CS..Hα-helixtrans-59.7-45.8177.9176.265.3000111.2C55 I57 F66 A68 Y73 C74 V303 A317C55-L70 HydrophobicContact CB-CD2 4.39Å; I57-L70 HydrophobicContact CB-CD2 4.13Å; I57-L70 HydrophobicContact CD1-CD2 4.46Å; I57-L70 HydrophobicContact CG2-CD2 3.94Å; F66-L70 HydrophobicContact CE1-CB 4.35Å; F66-L70 HydrophobicContact CE1-CD2 4.2Å; F66-L70 VanDerWaalsContact O-CB 3.24Å; F66-L70 WeakPolarHBondContact O-CB 3.21Å; F66-L70 PolarHBondContact O-N 3.02Å; A68-L70 VanDerWaalsContact C-N 3.33Å; A68-L70 PolarHBondContact O-N 3.33Å; L70-Y73 PolarHBondContact O-N 3.15Å; L70-C74 VanDerWaalsContact O-CB 3.32Å; L70-C74 WeakPolarHBondContact O-CB 3.48Å; L70-C74 PolarHBondContact O-N 2.96Å; L70-C74 PolarHBondContact O-SG 3.13Å; L70-V303 HydrophobicContact CD1-CG2 3.42Å; L70-V303 VanDerWaalsContact CD1-CG2 3.42Å; L70-A317 HydrophobicContact CD1-CB 3.95Å; L70-A317 HydrophobicContact CD2-CB 3.78Å; L70-A317 HydrophobicContact CG-CB 4.18Å
71T92.4Very high88.5Confident34 Ų3454.9 Ų54.921%0.20930%0.304CS..Hα-helixtrans-63-45.4179.8-58.40000111I53 N67 A68 Y69 W75I53-T71 HydrophobicContact CG2-CG2 3.68Å; N67-T71 WeakPolarHBondContact O-CB 3.26Å; N67-T71 PolarHBondContact O-N 2.98Å; N67-T71 PolarHBondContact O-OG1 2.97Å; A68-T71 PolarHBondContact O-N 3.31Å; A68-T71 VanDerWaalsContact O-N 3.16Å; Y69-T71 VanDerWaalsContact C-N 3.35Å; Y69-T71 PolarHBondContact O-N 2.9Å; T71-W75 WeakPolarHBondContact O-CB 3.41Å; T71-W75 PolarHBondContact O-N 3.35Å
72D91.1Very high88.6Confident103 Ų10354.7 Ų54.755%0.55130%0.302SS*.Hα-helixtrans-67.9-42.7178.8-67.3-20.5000111.9A68 Y69 W75 V76A68-D72 PolarHBondContact O-N 3.04Å; Y69-D72 PolarHBondContact O-N 3.38Å; D72-W75 PolarHBondContact O-N 3.27Å; D72-V76 WeakPolarHBondContact O-CG2 3.48Å; D72-V76 PolarHBondContact O-N 3.29Å
73Y92.3Very high88.7Confident54 Ų5449.9 Ų49.921%0.21227%0.267CS..Hα-helixtrans-60-49.1176.6-177.7-84.4000111Y69 L70 W75 V76 H77 V303Y69-Y73 WeakPolarHBondContact O-CB 3.42Å; Y69-Y73 PolarHBondContact O-N 2.91Å; L70-Y73 PolarHBondContact O-N 3.15Å; Y73-W75 VanDerWaalsContact C-N 3.31Å; Y73-W75 PolarHBondContact O-N 3.17Å; Y73-V76 PolarHBondContact O-N 2.78Å; Y73-H77 HydrophobicContact CD1-CB 4.32Å; Y73-H77 HydrophobicContact CE1-CB 4.03Å; Y73-H77 WeakPolarHBondContact O-CB 3.23Å; Y73-H77 PolarHBondContact O-N 3.23Å; Y73-V303 HydrophobicContact CD1-CB 4.29Å; Y73-V303 HydrophobicContact CD1-CG1 4.09Å; Y73-V303 HydrophobicContact CD1-CG2 3.55Å; Y73-V303 HydrophobicContact CD2-CG1 4.49Å; Y73-V303 HydrophobicContact CE1-CB 4.19Å; Y73-V303 HydrophobicContact CE1-CG1 4.01Å; Y73-V303 HydrophobicContact CE1-CG2 3.84Å; Y73-V303 HydrophobicContact CE2-CG1 4.43Å; Y73-V303 HydrophobicContact CG-CG1 4.32Å; Y73-V303 HydrophobicContact CG-CG2 4.29Å
74C92.9Very high88.7Confident0 Ų053.5 Ų53.50%028%0.284CS..Hα-helixtrans-66.5-34.4179.4-66.10000112.3I53 L70 G78 C301I53-C74 HydrophobicContact CD1-CB 4.34Å; L70-C74 VanDerWaalsContact O-CB 3.32Å; L70-C74 WeakPolarHBondContact O-CB 3.48Å; L70-C74 PolarHBondContact O-N 2.96Å; L70-C74 PolarHBondContact O-SG 3.13Å; C74-G78 CarbonylContact O-C 3.59Å; C74-G78 PolarHBondContact O-N 2.93Å; C74-C301 WeakPolarHBondContact CA-SG 3.42Å; C74-C301 HydrophobicContact CB-CB 3.7Å; C74-C301 WeakPolarHBondContact CB-SG 3.45Å; C74-C301 WeakPolarHBondContact SG-CB 3.38Å; C74-C301 CovalentContact SG-SG 2.04Å; C74-C301 PolarHBondContact SG-SG 3.28Å
75W91.3Very high88.7Confident38 Ų3851.9 Ų51.914%0.14428%0.276CS..Hα-helixtrans-63.2-46.6173179.3-110.7000112Q47 I53 T71 D72 Y73 Y107 Q108 I323Q47-W75 HydrophobicContact CG-CH2 4.21Å; Q47-W75 HydrophobicContact CG-CZ2 3.67Å; I53-W75 HydrophobicContact CB-CE3 4.18Å; I53-W75 HydrophobicContact CG2-CB 3.93Å; I53-W75 HydrophobicContact CG2-CD2 4.45Å; I53-W75 HydrophobicContact CG2-CE3 3.96Å; I53-W75 HydrophobicContact CG2-CG 4.47Å; T71-W75 WeakPolarHBondContact O-CB 3.41Å; T71-W75 PolarHBondContact O-N 3.35Å; D72-W75 PolarHBondContact O-N 3.27Å; Y73-W75 VanDerWaalsContact C-N 3.31Å; Y73-W75 PolarHBondContact O-N 3.17Å; W75-Y107 HydrophobicContact CD2-CE2 4.31Å; W75-Y107 AromaticContact CE3-CD2 3.92Å; W75-Y107 HydrophobicContact CE3-CD2 3.92Å; W75-Y107 AromaticContact CE3-CE2 3.66Å; W75-Y107 HydrophobicContact CE3-CE2 3.66Å; W75-Y107 AromaticContact CH2-CD2 3.4Å; W75-Y107 HydrophobicContact CH2-CD2 3.4Å; W75-Y107 HydrophobicContact CH2-CE2 4.02Å; W75-Y107 HydrophobicContact CH2-CG 4.32Å; W75-Y107 HydrophobicContact CZ2-CD2 4.13Å; W75-Y107 AromaticContact CZ3-CD2 3.27Å; W75-Y107 HydrophobicContact CZ3-CD2 3.27Å; W75-Y107 AromaticContact CZ3-CE2 3.5Å; W75-Y107 HydrophobicContact CZ3-CE2 3.5Å; W75-Y107 HydrophobicContact CZ3-CG 4.21Å; W75-Q108 HydrophobicContact CZ2-CG 4.2Å; W75-Q108 PolarHBondContact O-NE2 2.92Å; W75-I323 HydrophobicContact CH2-CD1 4.13Å; W75-I323 HydrophobicContact CZ3-CG2 4.31Å
76V90.6Very high88.4Confident102 Ų10246.7 Ų46.762%0.61825%0.247SC*.Hα-helixtrans-74.3-43.6-176.3173.20000112.1D72 Y73 Q108D72-V76 WeakPolarHBondContact O-CG2 3.48Å; D72-V76 PolarHBondContact O-N 3.29Å; Y73-V76 PolarHBondContact O-N 2.78Å; V76-Q108 VanDerWaalsContact C-NE2 3.34Å; V76-Q108 VanDerWaalsContact CA-NE2 3.32Å; V76-Q108 PolarHBondContact O-NE2 3.29Å
77H89.9Confident88.2Confident61 Ų6154.4 Ų54.428%0.28228%0.281SS..Hα-helixtrans-77.9-27.9-173.5-168.8-99.8000113.1Y73 D99 R103Y73-H77 HydrophobicContact CD1-CB 4.32Å; Y73-H77 HydrophobicContact CE1-CB 4.03Å; Y73-H77 WeakPolarHBondContact O-CB 3.23Å; Y73-H77 PolarHBondContact O-N 3.23Å; H77-D99 IonicContact CE1-OD1 2.71Å; H77-R103 PolarHBondContact CD2-NH1 3.22Å; H77-R103 PolarHBondContact CE1-NH1 3.01Å; H77-R103 PolarHBondContact CE1-NH2 3.48Å; H77-R103 PolarHBondContact ND1-NH1 3.44Å; H77-R103 PolarHBondContact NE2-NH1 3.39Å; H77-R103 PolarHBondContact NE2-NH2 3.39Å; H77-R103 WeakPolarHBondContact O-CD 3.34Å; H77-R103 PolarHBondContact O-NH1 3.42Å
78G90Very high88Confident4 Ų454.3 Ų54.34%0.04128%0.28CS..  trans104.1170.8-175.100000113C74 I104 Y107C74-G78 CarbonylContact O-C 3.59Å; C74-G78 PolarHBondContact O-N 2.93Å; G78-I104 WeakPolarHBondContact CA-O 3.3Å; G78-Y107 WeakPolarHBondContact CA-OH 3.49Å
79T91.3Very high87.9Confident1 Ų152 Ų521%0.00626%0.261CS..BIsolated β-bridgetrans-131.8152.7-176.856.90000111.4I53 I104 Y107 A299I53-T79 HydrophobicContact CD1-CG2 3.91Å; T79-I104 PolarHBondContact N-O 3.01Å; T79-I104 PolarHBondContact O-N 3.26Å; T79-Y107 PolarHBondContact N-OH 2.96Å; T79-Y107 PolarHBondContact OG1-OH 3.12Å; T79-A299 HydrophobicContact CG2-CB 4.42Å
80I89.6Confident87.6Confident7 Ų752.5 Ų52.54%0.03628%0.275CS..BIsolated β-bridgetrans-111.7116.1-177.3-62.4168.8000109.1L82 W95 Y98 D99 R102 Y300I80-L82 HydrophobicContact CG2-CD2 4.31Å; I80-W95 HydrophobicContact CD1-CE3 4Å; I80-W95 HydrophobicContact CD1-CZ3 4.01Å; I80-Y98 HydrophobicContact CG2-CD1 4.17Å; I80-D99 HydrophobicContact CD1-CB 3.99Å; I80-R102 HydrophobicContact CG2-CB 4.04Å; I80-Y300 PolarHBondContact N-O 2.93Å; I80-Y300 PolarHBondContact O-N 3.33Å
81P87.4Confident87.4Confident4 Ų455.5 Ų55.53%0.02629%0.294CS..  trans-76.5141.8172.633.8-35.6000111.1R102 I104 I293 P296P81-R102 VanDerWaalsContact CD-O 3.3Å; P81-R102 WeakPolarHBondContact CD-O 3.47Å; P81-I104 HydrophobicContact CG-CD1 3.69Å; P81-I104 HydrophobicContact CG-CG1 4.4Å; P81-I293 HydrophobicContact CB-CG2 4.06Å; P81-I293 HydrophobicContact CG-CG2 3.64Å; P81-P296 HydrophobicContact CB-CB 3.76Å; P81-P296 HydrophobicContact CB-CG 3.84Å; P81-P296 HydrophobicContact CG-CG 4.26Å
82L84.9Confident87.1Confident15 Ų1562 Ų628%0.07931%0.314CS..  trans-125.1149.5172.8-60.1175.9000108.9I80 L88 Y98 Y300I80-L82 HydrophobicContact CG2-CD2 4.31Å; L82-L88 HydrophobicContact CD1-CD1 3.57Å; L82-Y98 HydrophobicContact CD2-CD1 3.56Å; L82-Y98 HydrophobicContact CD2-CE1 3.35Å; L82-Y300 HydrophobicContact CB-CD2 3.96Å; L82-Y300 HydrophobicContact CB-CE2 3.8Å; L82-Y300 HydrophobicContact CD1-CD2 3.46Å; L82-Y300 VanDerWaalsContact CD1-CD2 3.46Å; L82-Y300 HydrophobicContact CD1-CE2 3.73Å; L82-Y300 HydrophobicContact CD1-CG 4Å; L82-Y300 HydrophobicContact CG-CD2 3.66Å; L82-Y300 HydrophobicContact CG-CE2 3.99Å
83R81.2Confident86.9Confident48 Ų4864.7 Ų64.718%0.18132%0.324CS..  trans-75.7157.9172.6-62.6-176.5172.4155.23.8110.8D85 E86 I293R83-D85 WeakPolarHBondContact CB-OD1 3.17Å; R83-D85 PolarHBondContact O-N 3.19Å; R83-E86 HydrophobicContact CB-CB 4.19Å; R83-E86 PolarHBondContact N-OE2 3.1Å; R83-E86 VanDerWaalsContact N-OE2 3.14Å; R83-E86 PolarHBondContact O-N 2.91Å; R83-I293 HydrophobicContact CG-CD1 3.86Å; R83-I293 HydrophobicContact CG-CG1 4.13Å
84P79.9Confident86.7Confident110 Ų11066.1 Ų66.171%0.71433%0.332SS*.THydrogen-bonded Turntrans-60.7-29.5178.7-23.834.8000114.5P290P84-P290 HydrophobicContact CG-CB 3.94Å
85D81.3Confident86.5Confident112 Ų11266.5 Ų66.560%0.59933%0.334SS*.THydrogen-bonded Turntrans-86.7-10.8-179.758.5-53.8000113.9R83R83-D85 WeakPolarHBondContact CB-OD1 3.17Å; R83-D85 PolarHBondContact O-N 3.19Å
86E80.1Confident86.3Confident22 Ų2269 Ų6910%0.10335%0.35CS..SBendtrans-87.2132.4-174.4-170.4171.8-147.500111.5R83 Y98 R102 G250R83-E86 HydrophobicContact CB-CB 4.19Å; R83-E86 PolarHBondContact N-OE2 3.1Å; R83-E86 VanDerWaalsContact N-OE2 3.14Å; R83-E86 PolarHBondContact O-N 2.91Å; E86-Y98 WeakPolarHBondContact OE1-CE1 3.2Å; E86-Y98 PolarHBondContact OE1-OH 3.44Å; E86-R102 IonicContact OE1-CZ 3.92Å; E86-R102 IonicContact OE1-NH1 3.33Å; E86-R102 PolarHBondContact OE1-NH1 3.43Å; E86-R102 IonicContact OE1-NH2 2.73Å; E86-R102 PolarHBondContact OE1-NH2 3.49Å; E86-R102 IonicContact OE2-CZ 2.94Å; E86-R102 IonicContact OE2-NH1 3.99Å; E86-R102 PolarHBondContact OE2-NH1 2.91Å; E86-R102 IonicContact OE2-NH2 3.74Å; E86-G250 WeakPolarHBondContact OE1-CA 3.29Å
87K84.1Confident86.1Confident183 Ų18366.9 Ų66.980%0.79633%0.333SS*.PPolyproline II helixtrans-73.1141.6177.2-65.9-178.9-177.6175.80110.1
88L85.9Confident85.8Confident71 Ų7165.2 Ų65.237%0.37232%0.324SS..PPolyproline II helixtrans-61.3131.5172.8-165.775.1000109.1L82 V90 W95 Y300L82-L88 HydrophobicContact CD1-CD1 3.57Å; L88-V90 PolarHBondContact O-N 3.38Å; L88-W95 HydrophobicContact CD1-CH2 3.83Å; L88-W95 HydrophobicContact CD1-CZ2 3.74Å; L88-W95 HydrophobicContact CD2-CZ2 4.22Å; L88-W95 HydrophobicContact CG-CH2 4.41Å; L88-W95 HydrophobicContact CG-CZ2 3.81Å; L88-Y300 HydrophobicContact CD1-CD1 3.89Å; L88-Y300 HydrophobicContact CD1-CE1 4.23Å; L88-Y300 HydrophobicContact CD1-CG 4.14Å
89P86.6Confident85.6Confident7 Ų767 Ų675%0.04533%0.333CS..PPolyproline II helixtrans-60.6140177.916.9-23.5000110.5E94 W95 Y98P89-E94 WeakPolarHBondContact CA-OE2 3.41Å; P89-E94 HydrophobicContact CB-CB 3.55Å; P89-W95 HydrophobicContact CB-CD2 4.37Å; P89-W95 HydrophobicContact CB-CG 4.19Å; P89-W95 HydrophobicContact CG-CD2 3.7Å; P89-W95 HydrophobicContact CG-CE3 4.13Å; P89-W95 HydrophobicContact CG-CG 4.02Å; P89-W95 HydrophobicContact CG-CH2 4.28Å; P89-W95 HydrophobicContact CG-CZ2 3.88Å; P89-W95 HydrophobicContact CG-CZ3 4.39Å; P89-W95 PolarHBondContact O-NE1 2.91Å; P89-Y98 HydrophobicContact CG-CD2 4.39Å; P89-Y98 HydrophobicContact CG-CG 4.36Å
90V85.1Confident85.1Confident125 Ų12575.1 Ų75.176%0.75836%0.364SS*.  trans-105.5-44.5-174.2-177.80000109.7L88 E94L88-V90 PolarHBondContact O-N 3.38Å; V90-E94 PolarHBondContact N-OE2 2.94Å
91T87.3Confident84.6Confident64 Ų6476.4 Ų76.439%0.39337%0.372SS..SBendtrans-80.9154.7-17769.70000111.1E93 E94 W95T91-E93 VanDerWaalsContact C-N 3.27Å; T91-E93 PolarHBondContact O-N 3.16Å; T91-E94 PolarHBondContact N-OE2 3.15Å; T91-E94 VanDerWaalsContact N-OE2 3.17Å; T91-E94 PolarHBondContact O-N 3.09Å; T91-E94 WeakPolarHBondContact OG1-CB 3.48Å; T91-E94 VanDerWaalsContact OG1-CD 3.23Å; T91-E94 WeakPolarHBondContact OG1-CG 3.14Å; T91-E94 PolarHBondContact OG1-N 2.86Å; T91-E94 PolarHBondContact OG1-OE2 2.97Å; T91-W95 VanDerWaalsContact O-CD1 3.32Å; T91-W95 PolarHBondContact O-N 3.38Å
92R86.2Confident84.2Confident172 Ų17276.8 Ų76.865%0.64937%0.373SS*.Hα-helixtrans-60.9-40.7175-178.8177.7176.4167.30.3111.4E94 W95 D96R92-E94 PolarHBondContact O-N 3.38Å; R92-W95 PolarHBondContact O-N 3.12Å; R92-D96 VanDerWaalsContact O-CG 3.3Å; R92-D96 PolarHBondContact O-N 2.79Å
93E87.3Confident84.2Confident159 Ų15980.3 Ų80.374%0.74339%0.385SS*.Hα-helixtrans-62.2-41.4180-62.9174.6-174.900112T91 D96 E97T91-E93 VanDerWaalsContact C-N 3.27Å; T91-E93 PolarHBondContact O-N 3.16Å; E93-D96 PolarHBondContact O-N 3.28Å; E93-E97 WeakPolarHBondContact O-CB 3.4Å; E93-E97 PolarHBondContact O-N 3.19Å
94E87.5Confident84.3Confident83 Ų8379.2 Ų79.239%0.38838%0.382SS..Hα-helixtrans-62.3-44.3173.6-74.8164.4-176.300111.4P89 V90 T91 R92 D96 E97 Y98P89-E94 WeakPolarHBondContact CA-OE2 3.41Å; P89-E94 HydrophobicContact CB-CB 3.55Å; V90-E94 PolarHBondContact N-OE2 2.94Å; T91-E94 PolarHBondContact N-OE2 3.15Å; T91-E94 VanDerWaalsContact N-OE2 3.17Å; T91-E94 PolarHBondContact O-N 3.09Å; T91-E94 WeakPolarHBondContact OG1-CB 3.48Å; T91-E94 VanDerWaalsContact OG1-CD 3.23Å; T91-E94 WeakPolarHBondContact OG1-CG 3.14Å; T91-E94 PolarHBondContact OG1-N 2.86Å; T91-E94 PolarHBondContact OG1-OE2 2.97Å; R92-E94 PolarHBondContact O-N 3.38Å; E94-D96 VanDerWaalsContact C-N 3.34Å; E94-D96 PolarHBondContact O-N 2.99Å; E94-E97 WeakPolarHBondContact O-CB 3.14Å; E94-E97 PolarHBondContact O-N 3.46Å; E94-Y98 WeakPolarHBondContact O-CD2 3.37Å; E94-Y98 PolarHBondContact O-N 3.13Å
95W88.3Confident84.5Confident9 Ų976.5 Ų76.53%0.03436%0.364CS..Hα-helixtrans-62.5-41.5176.5-84.388.5000112.4I80 L88 P89 T91 R92 E97 Y98 D99 R302 T316I80-W95 HydrophobicContact CD1-CE3 4Å; I80-W95 HydrophobicContact CD1-CZ3 4.01Å; L88-W95 HydrophobicContact CD1-CH2 3.83Å; L88-W95 HydrophobicContact CD1-CZ2 3.74Å; L88-W95 HydrophobicContact CD2-CZ2 4.22Å; L88-W95 HydrophobicContact CG-CH2 4.41Å; L88-W95 HydrophobicContact CG-CZ2 3.81Å; P89-W95 HydrophobicContact CB-CD2 4.37Å; P89-W95 HydrophobicContact CB-CG 4.19Å; P89-W95 HydrophobicContact CG-CD2 3.7Å; P89-W95 HydrophobicContact CG-CE3 4.13Å; P89-W95 HydrophobicContact CG-CG 4.02Å; P89-W95 HydrophobicContact CG-CH2 4.28Å; P89-W95 HydrophobicContact CG-CZ2 3.88Å; P89-W95 HydrophobicContact CG-CZ3 4.39Å; P89-W95 PolarHBondContact O-NE1 2.91Å; T91-W95 VanDerWaalsContact O-CD1 3.32Å; T91-W95 PolarHBondContact O-N 3.38Å; R92-W95 PolarHBondContact O-N 3.12Å; W95-E97 VanDerWaalsContact C-N 3.28Å; W95-E97 PolarHBondContact O-N 3.4Å; W95-Y98 PolarHBondContact O-N 3.5Å; W95-D99 WeakPolarHBondContact O-CB 3.44Å; W95-D99 PolarHBondContact O-N 2.9Å; W95-R302 HydrophobicContact CD2-CB 4.02Å; W95-R302 VanDerWaalsContact CD2-CD 3.45Å; W95-R302 HydrophobicContact CD2-CG 4.32Å; W95-R302 HydrophobicContact CE3-CB 3.75Å; W95-R302 HydrophobicContact CH2-CB 4.31Å; W95-R302 HydrophobicContact CZ3-CB 3.91Å; W95-T316 HydrophobicContact CH2-CG2 4.05Å; W95-T316 HydrophobicContact CZ2-CG2 3.48Å; W95-T316 VanDerWaalsContact CZ2-CG2 3.48Å
96D87.4Confident84.7Confident90 Ų9072.9 Ų72.948%0.48134%0.342SS..Hα-helixtrans-64.5-34.3177.6-66.8-19.9000111.3R92 E93 E94 R100R92-D96 VanDerWaalsContact O-CG 3.3Å; R92-D96 PolarHBondContact O-N 2.79Å; E93-D96 PolarHBondContact O-N 3.28Å; E94-D96 VanDerWaalsContact C-N 3.34Å; E94-D96 PolarHBondContact O-N 2.99Å; D96-R100 WeakPolarHBondContact O-CB 3.45Å; D96-R100 PolarHBondContact O-N 2.99Å; D96-R100 VanDerWaalsContact O-N 3.07Å
97E86.3Confident85Confident57 Ų5771.9 Ų71.927%0.26634%0.337SS..Hα-helixtrans-67.3-50.2173.5-175.663.8-148.900112.2E93 E94 W95 D99 R100 V101 L249E93-E97 WeakPolarHBondContact O-CB 3.4Å; E93-E97 PolarHBondContact O-N 3.19Å; E94-E97 WeakPolarHBondContact O-CB 3.14Å; E94-E97 PolarHBondContact O-N 3.46Å; W95-E97 VanDerWaalsContact C-N 3.28Å; W95-E97 PolarHBondContact O-N 3.4Å; E97-D99 VanDerWaalsContact C-N 3.25Å; E97-D99 PolarHBondContact O-N 3.47Å; E97-R100 PolarHBondContact O-N 2.79Å; E97-R100 IonicContact OE1-CZ 2.62Å; E97-R100 IonicContact OE1-NH1 3.68Å; E97-R100 IonicContact OE1-NH2 3.3Å; E97-R100 PolarHBondContact OE1-NH2 3.34Å; E97-R100 IonicContact OE2-CZ 3.09Å; E97-R100 IonicContact OE2-NH1 2.7Å; E97-R100 PolarHBondContact OE2-NH1 3.24Å; E97-R100 IonicContact OE2-NH2 2.94Å; E97-R100 PolarHBondContact OE2-NH2 2.86Å; E97-V101 WeakPolarHBondContact O-CG2 3.25Å; E97-V101 PolarHBondContact O-N 3.4Å; E97-V101 VanDerWaalsContact O-N 3.1Å; E97-V101 WeakPolarHBondContact OE1-CG2 3.5Å; E97-L249 HydrophobicContact CG-CD2 3.69Å
98Y84.6Confident85.1Confident26 Ų2664.9 Ų64.910%0.10231%0.307CS..Hα-helixtrans-61.7-39.1178.2-86.9-112.5000111.2I80 L82 E86 P89 E94 W95 V101 R102 L249I80-Y98 HydrophobicContact CG2-CD1 4.17Å; L82-Y98 HydrophobicContact CD2-CD1 3.56Å; L82-Y98 HydrophobicContact CD2-CE1 3.35Å; E86-Y98 WeakPolarHBondContact OE1-CE1 3.2Å; E86-Y98 PolarHBondContact OE1-OH 3.44Å; P89-Y98 HydrophobicContact CG-CD2 4.39Å; P89-Y98 HydrophobicContact CG-CG 4.36Å; E94-Y98 WeakPolarHBondContact O-CD2 3.37Å; E94-Y98 PolarHBondContact O-N 3.13Å; W95-Y98 PolarHBondContact O-N 3.5Å; Y98-V101 PolarHBondContact O-N 2.65Å; Y98-R102 WeakPolarHBondContact O-CA 3.38Å; Y98-R102 VanDerWaalsContact O-CB 3.28Å; Y98-R102 WeakPolarHBondContact O-CB 3.34Å; Y98-R102 PolarHBondContact O-N 2.88Å; Y98-L249 HydrophobicContact CD2-CD2 3.95Å; Y98-L249 HydrophobicContact CE2-CD2 3.94Å
99D84.7Confident85.3Confident41 Ų4168.5 Ų68.522%0.21932%0.316CS..Hα-helixtrans-63.9-40.2177.2-17673.1000112.2H77 I80 W95 E97 V101 R103H77-D99 IonicContact CE1-OD1 2.71Å; I80-D99 HydrophobicContact CD1-CB 3.99Å; W95-D99 WeakPolarHBondContact O-CB 3.44Å; W95-D99 PolarHBondContact O-N 2.9Å; E97-D99 VanDerWaalsContact C-N 3.25Å; E97-D99 PolarHBondContact O-N 3.47Å; D99-V101 PolarHBondContact O-N 3.07Å; D99-R103 VanDerWaalsContact CG-NE 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.37Å; D99-R103 PolarHBondContact O-N 3.49Å; D99-R103 IonicContact OD1-CZ 2.66Å; D99-R103 IonicContact OD1-NE 3.87Å; D99-R103 PolarHBondContact OD1-NE 3.49Å; D99-R103 IonicContact OD1-NH2 2.69Å; D99-R103 PolarHBondContact OD1-NH2 3.11Å; D99-R103 IonicContact OD2-CZ 3.11Å; D99-R103 IonicContact OD2-NE 2.66Å; D99-R103 PolarHBondContact OD2-NE 3.31Å; D99-R103 IonicContact OD2-NH2 3.94Å; D99-R103 PolarHBondContact OD2-NH2 2.94Å
100R82.6Confident85.6Confident173 Ų17368.1 Ų68.165%0.65331%0.314SS*.Hα-helixtrans-66-37.4175.2-171.1177.773.3-123.37.7113.1D96 E97D96-R100 WeakPolarHBondContact O-CB 3.45Å; D96-R100 PolarHBondContact O-N 2.99Å; D96-R100 VanDerWaalsContact O-N 3.07Å; E97-R100 PolarHBondContact O-N 2.79Å; E97-R100 IonicContact OE1-CZ 2.62Å; E97-R100 IonicContact OE1-NH1 3.68Å; E97-R100 IonicContact OE1-NH2 3.3Å; E97-R100 PolarHBondContact OE1-NH2 3.34Å; E97-R100 IonicContact OE2-CZ 3.09Å; E97-R100 IonicContact OE2-NH1 2.7Å; E97-R100 PolarHBondContact OE2-NH1 3.24Å; E97-R100 IonicContact OE2-NH2 2.94Å; E97-R100 PolarHBondContact OE2-NH2 2.86Å
101V78.1Confident85.9Confident34 Ų3462.4 Ų62.421%0.20628%0.279CS..Hα-helixtrans-99-29.7-168.2-1790000113E97 Y98 D99 K245E97-V101 WeakPolarHBondContact O-CG2 3.25Å; E97-V101 PolarHBondContact O-N 3.4Å; E97-V101 VanDerWaalsContact O-N 3.1Å; E97-V101 WeakPolarHBondContact OE1-CG2 3.5Å; Y98-V101 PolarHBondContact O-N 2.65Å; D99-V101 PolarHBondContact O-N 3.07Å; V101-K245 HydrophobicContact CG1-CB 4.46Å
102R79.6Confident86.1Confident12 Ų1265 Ų655%0.04529%0.285CS..Hα-helixtrans-124.6-4.8-167.9-61.2-169.7174.8-18012.4115I80 P81 E86 Y98 I104 S246I80-R102 HydrophobicContact CG2-CB 4.04Å; P81-R102 VanDerWaalsContact CD-O 3.3Å; P81-R102 WeakPolarHBondContact CD-O 3.47Å; E86-R102 IonicContact OE1-CZ 3.92Å; E86-R102 IonicContact OE1-NH1 3.33Å; E86-R102 PolarHBondContact OE1-NH1 3.43Å; E86-R102 IonicContact OE1-NH2 2.73Å; E86-R102 PolarHBondContact OE1-NH2 3.49Å; E86-R102 IonicContact OE2-CZ 2.94Å; E86-R102 IonicContact OE2-NH1 3.99Å; E86-R102 PolarHBondContact OE2-NH1 2.91Å; E86-R102 IonicContact OE2-NH2 3.74Å; Y98-R102 WeakPolarHBondContact O-CA 3.38Å; Y98-R102 VanDerWaalsContact O-CB 3.28Å; Y98-R102 WeakPolarHBondContact O-CB 3.34Å; Y98-R102 PolarHBondContact O-N 2.88Å; R102-I104 WeakPolarHBondContact O-CG1 3.39Å; R102-I104 PolarHBondContact O-N 3.31Å; R102-S246 PolarHBondContact NE-O 3.48Å; R102-S246 PolarHBondContact NH2-O 2.88Å; R102-S246 VanDerWaalsContact NH2-O 3.16Å
103R83.6Confident86.4Confident88 Ų8858.3 Ų58.333%0.33226%0.264SS..  trans-59.6125.2178.9-177.8-161.4-70.8-142.211.5110.1H77 D99 T105H77-R103 PolarHBondContact CD2-NH1 3.22Å; H77-R103 PolarHBondContact CE1-NH1 3.01Å; H77-R103 PolarHBondContact CE1-NH2 3.48Å; H77-R103 PolarHBondContact ND1-NH1 3.44Å; H77-R103 PolarHBondContact NE2-NH1 3.39Å; H77-R103 PolarHBondContact NE2-NH2 3.39Å; H77-R103 WeakPolarHBondContact O-CD 3.34Å; H77-R103 PolarHBondContact O-NH1 3.42Å; D99-R103 VanDerWaalsContact CG-NE 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.37Å; D99-R103 PolarHBondContact O-N 3.49Å; D99-R103 IonicContact OD1-CZ 2.66Å; D99-R103 IonicContact OD1-NE 3.87Å; D99-R103 PolarHBondContact OD1-NE 3.49Å; D99-R103 IonicContact OD1-NH2 2.69Å; D99-R103 PolarHBondContact OD1-NH2 3.11Å; D99-R103 IonicContact OD2-CZ 3.11Å; D99-R103 IonicContact OD2-NE 2.66Å; D99-R103 PolarHBondContact OD2-NE 3.31Å; D99-R103 IonicContact OD2-NH2 3.94Å; D99-R103 PolarHBondContact OD2-NH2 2.94Å; R103-T105 HydrophobicContact CG-CG2 4.1Å
104I83.4Confident86.7Confident26 Ų2650.8 Ų50.813%0.13323%0.228CC..BIsolated β-bridgetrans-104.8123.3176.8-62.7-179.6000109.3G78 T79 P81 R102 Y106 Y107 P296G78-I104 WeakPolarHBondContact CA-O 3.3Å; T79-I104 PolarHBondContact N-O 3.01Å; T79-I104 PolarHBondContact O-N 3.26Å; P81-I104 HydrophobicContact CG-CD1 3.69Å; P81-I104 HydrophobicContact CG-CG1 4.4Å; R102-I104 WeakPolarHBondContact O-CG1 3.39Å; R102-I104 PolarHBondContact O-N 3.31Å; I104-Y106 HydrophobicContact CG2-CD1 3.38Å; I104-Y106 HydrophobicContact CG2-CE1 3.25Å; I104-Y106 HydrophobicContact CG2-CG 4.35Å; I104-Y107 HydrophobicContact CB-CE1 4.36Å; I104-Y107 HydrophobicContact CG2-CD1 3.87Å; I104-Y107 HydrophobicContact CG2-CE1 3.82Å; I104-Y107 WeakPolarHBondContact O-CE1 3.17Å; I104-Y107 PolarHBondContact O-OH 3.32Å; I104-P296 HydrophobicContact CD1-CG 3.61Å
105T85.6Confident86.9Confident52 Ų5247.9 Ų47.932%0.31922%0.22SC..  trans-129.5-1.1176.954.70000113.8R103 Y107 Q108R103-T105 HydrophobicContact CG-CG2 4.1Å; T105-Y107 PolarHBondContact O-N 2.87Å; T105-Q108 PolarHBondContact O-N 2.81Å; T105-Q108 PolarHBondContact O-OE1 2.88Å
106Y84.9Confident87.2Confident37 Ų3751.4 Ų51.415%0.14524%0.24CC..G310 helixtrans-62.7-29-173.670-103.1000113.5I104 Q108 W109 V110 F233 F295 N324I104-Y106 HydrophobicContact CG2-CD1 3.38Å; I104-Y106 HydrophobicContact CG2-CE1 3.25Å; I104-Y106 HydrophobicContact CG2-CG 4.35Å; Y106-Q108 PolarHBondContact O-N 2.76Å; Y106-Q108 VanDerWaalsContact O-N 3.13Å; Y106-W109 WeakPolarHBondContact O-CA 3.33Å; Y106-W109 WeakPolarHBondContact O-CB 3.38Å; Y106-W109 PolarHBondContact O-N 3.07Å; Y106-V110 HydrophobicContact CD2-CG2 4.09Å; Y106-V110 PolarHBondContact O-N 3.09Å; Y106-F233 HydrophobicContact CD2-CE1 4.18Å; Y106-F233 HydrophobicContact CD2-CZ 4.36Å; Y106-F233 WeakPolarHBondContact O-CZ 3.4Å; Y106-F295 HydrophobicContact CE2-CD1 4.48Å; Y106-F295 HydrophobicContact CE2-CE1 4.33Å; Y106-F295 WeakPolarHBondContact OH-CD1 3.26Å; Y106-N324 PolarHBondContact OH-ND2 2.87Å; Y106-N324 PolarHBondContact OH-OD1 3.35Å
107Y85.6Confident87.5Confident0 Ų047.2 Ų47.20%022%0.217CC..G310 helixtrans-60.4-27.2-174.944.9-105.2000113Q47 W75 G78 T79 I104 T105 W109 L321Q47-Y107 PolarHBondContact OE1-O 3.09Å; W75-Y107 HydrophobicContact CD2-CE2 4.31Å; W75-Y107 AromaticContact CE3-CD2 3.92Å; W75-Y107 HydrophobicContact CE3-CD2 3.92Å; W75-Y107 AromaticContact CE3-CE2 3.66Å; W75-Y107 HydrophobicContact CE3-CE2 3.66Å; W75-Y107 AromaticContact CH2-CD2 3.4Å; W75-Y107 HydrophobicContact CH2-CD2 3.4Å; W75-Y107 HydrophobicContact CH2-CE2 4.02Å; W75-Y107 HydrophobicContact CH2-CG 4.32Å; W75-Y107 HydrophobicContact CZ2-CD2 4.13Å; W75-Y107 AromaticContact CZ3-CD2 3.27Å; W75-Y107 HydrophobicContact CZ3-CD2 3.27Å; W75-Y107 AromaticContact CZ3-CE2 3.5Å; W75-Y107 HydrophobicContact CZ3-CE2 3.5Å; W75-Y107 HydrophobicContact CZ3-CG 4.21Å; G78-Y107 WeakPolarHBondContact CA-OH 3.49Å; T79-Y107 PolarHBondContact N-OH 2.96Å; T79-Y107 PolarHBondContact OG1-OH 3.12Å; I104-Y107 HydrophobicContact CB-CE1 4.36Å; I104-Y107 HydrophobicContact CG2-CD1 3.87Å; I104-Y107 HydrophobicContact CG2-CE1 3.82Å; I104-Y107 WeakPolarHBondContact O-CE1 3.17Å; I104-Y107 PolarHBondContact O-OH 3.32Å; T105-Y107 PolarHBondContact O-N 2.87Å; Y107-W109 PolarHBondContact O-N 3.37Å; Y107-L321 HydrophobicContact CD1-CD2 4.12Å; Y107-L321 HydrophobicContact CE1-CD2 3.77Å
108Q87.7Confident87.8Confident36 Ų3645.2 Ų45.217%0.16821%0.209CC..G310 helixtrans-65-31.6174.6-59.6170.3-30.600112Q47 W75 V76 T105 Y106Q47-Q108 PolarHBondContact NE2-O 2.83Å; Q47-Q108 VanDerWaalsContact NE2-O 3.09Å; W75-Q108 HydrophobicContact CZ2-CG 4.2Å; W75-Q108 PolarHBondContact O-NE2 2.92Å; V76-Q108 VanDerWaalsContact C-NE2 3.34Å; V76-Q108 VanDerWaalsContact CA-NE2 3.32Å; V76-Q108 PolarHBondContact O-NE2 3.29Å; T105-Q108 PolarHBondContact O-N 2.81Å; T105-Q108 PolarHBondContact O-OE1 2.88Å; Y106-Q108 PolarHBondContact O-N 2.76Å; Y106-Q108 VanDerWaalsContact O-N 3.13Å
109W89.9Confident88.1Confident147 Ų14748.9 Ų48.956%0.55723%0.23SC*.THydrogen-bonded Turntrans-93-15.5-171.9-64.497000113.9Y106 Y107 F112 V113 F233Y106-W109 WeakPolarHBondContact O-CA 3.33Å; Y106-W109 WeakPolarHBondContact O-CB 3.38Å; Y106-W109 PolarHBondContact O-N 3.07Å; Y107-W109 PolarHBondContact O-N 3.37Å; W109-F112 HydrophobicContact CE3-CD2 4.24Å; W109-F112 PolarHBondContact O-N 2.92Å; W109-F112 VanDerWaalsContact O-N 3.12Å; W109-V113 WeakPolarHBondContact O-CG2 3.49Å; W109-V113 PolarHBondContact O-N 2.7Å; W109-F233 HydrophobicContact CB-CE2 3.87Å; W109-F233 HydrophobicContact CB-CZ 4.11Å
110V91.5Very high88.5Confident0 Ų049.7 Ų49.70%023%0.231CC..Hα-helixtrans-48.6-52.7-177.8175.30000113.5V43 Y106 F112 V113 L114 F233 Y331V43-V110 HydrophobicContact CG1-CB 4.42Å; V43-V110 HydrophobicContact CG1-CG1 3.94Å; Y106-V110 HydrophobicContact CD2-CG2 4.09Å; Y106-V110 PolarHBondContact O-N 3.09Å; V110-F112 VanDerWaalsContact C-N 3.31Å; V110-F112 PolarHBondContact O-N 3.33Å; V110-V113 PolarHBondContact O-N 3.31Å; V110-L114 HydrophobicContact CG1-CD1 3.81Å; V110-L114 HydrophobicContact CG1-CG 4.21Å; V110-L114 WeakPolarHBondContact O-CG 3.43Å; V110-L114 PolarHBondContact O-N 3.46Å; V110-F233 HydrophobicContact CG2-CE1 3.8Å; V110-F233 HydrophobicContact CG2-CZ 3.88Å; V110-Y331 HydrophobicContact CG1-CE2 4.17Å; V110-Y331 HydrophobicContact CG2-CE2 4.35Å
111P91.6Very high88.9Confident4 Ų441.5 Ų41.53%0.02620%0.2CC..Hα-helixtrans-62.6-37.5-178.123.6-34.1000112.6C40 V43 S44 Q47 L114 G115C40-P111 PolarHBondContact SG-O 2.92Å; V43-P111 HydrophobicContact CG1-CB 4.36Å; S44-P111 VanDerWaalsContact OG-CB 3.31Å; S44-P111 WeakPolarHBondContact OG-CB 3.37Å; Q47-P111 VanDerWaalsContact OE1-CD 3.29Å; P111-L114 PolarHBondContact O-N 3.11Å; P111-G115 PolarHBondContact O-N 3.27Å
112F92Very high89.5Confident119 Ų11943.6 Ų43.652%0.52221%0.205SC..Hα-helixtrans-67.5-40.8177.4-59.1-67.8000111.7Y48 W109 V110 G115 L116Y48-F112 VanDerWaalsContact OH-CZ 3.31Å; Y48-F112 WeakPolarHBondContact OH-CZ 3.15Å; W109-F112 HydrophobicContact CE3-CD2 4.24Å; W109-F112 PolarHBondContact O-N 2.92Å; W109-F112 VanDerWaalsContact O-N 3.12Å; V110-F112 VanDerWaalsContact C-N 3.31Å; V110-F112 PolarHBondContact O-N 3.33Å; F112-G115 PolarHBondContact O-N 3.02Å; F112-L116 WeakPolarHBondContact O-CB 3.38Å; F112-L116 PolarHBondContact O-N 3.48Å
113V92.7Very high90Very high32 Ų3246.8 Ų46.819%0.19422%0.222CC..Hα-helixtrans-65.7-46.8176173.60000110.6W109 V110 G115 L116 Q117 F233W109-V113 WeakPolarHBondContact O-CG2 3.49Å; W109-V113 PolarHBondContact O-N 2.7Å; V110-V113 PolarHBondContact O-N 3.31Å; V113-G115 VanDerWaalsContact C-N 3.28Å; V113-G115 PolarHBondContact O-N 2.88Å; V113-L116 PolarHBondContact O-N 2.76Å; V113-L116 VanDerWaalsContact O-N 3.09Å; V113-Q117 HydrophobicContact CG1-CG 4.22Å; V113-Q117 VanDerWaalsContact O-CG 3.24Å; V113-Q117 WeakPolarHBondContact O-CG 3.45Å; V113-Q117 PolarHBondContact O-N 3.36Å; V113-F233 HydrophobicContact CB-CE2 4.37Å; V113-F233 HydrophobicContact CB-CZ 4.48Å; V113-F233 HydrophobicContact CG1-CD2 4.44Å; V113-F233 HydrophobicContact CG1-CG 4.35Å; V113-F233 HydrophobicContact CG2-CD2 3.79Å; V113-F233 HydrophobicContact CG2-CE2 3.56Å; V113-F233 HydrophobicContact CG2-CG 4.48Å; V113-F233 HydrophobicContact CG2-CZ 4.09Å
114L93Very high90.3Very high0 Ų042.8 Ų42.80%021%0.207CC..Hα-helixtrans-58.8-40.1175.5-69.6174.1000111.9F36 C40 V43 V110 P111 Q117 C118 I330 Y331 F334F36-L114 HydrophobicContact CD1-CD2 3.89Å; F36-L114 HydrophobicContact CE1-CD2 3.91Å; C40-L114 HydrophobicContact CB-CB 4.03Å; V43-L114 HydrophobicContact CB-CD1 4.42Å; V43-L114 HydrophobicContact CG2-CD1 4Å; V110-L114 HydrophobicContact CG1-CD1 3.81Å; V110-L114 HydrophobicContact CG1-CG 4.21Å; V110-L114 WeakPolarHBondContact O-CG 3.43Å; V110-L114 PolarHBondContact O-N 3.46Å; P111-L114 PolarHBondContact O-N 3.11Å; L114-Q117 PolarHBondContact O-N 2.87Å; L114-C118 WeakPolarHBondContact O-CB 3.35Å; L114-C118 PolarHBondContact O-N 3.24Å; L114-I330 HydrophobicContact CD2-CG2 4.49Å; L114-Y331 HydrophobicContact CD2-CE1 4.35Å; L114-F334 HydrophobicContact CD2-CE2 4.31Å
115G92.4Very high90.4Very high22 Ų2242.6 Ų42.623%0.22721%0.206CC..Hα-helixtrans-62.8-42.3173.300000112.9P111 F112 V113 C118 I119P111-G115 PolarHBondContact O-N 3.27Å; F112-G115 PolarHBondContact O-N 3.02Å; V113-G115 VanDerWaalsContact C-N 3.28Å; V113-G115 PolarHBondContact O-N 2.88Å; G115-C118 VanDerWaalsContact O-CB 3.28Å; G115-C118 WeakPolarHBondContact O-CB 3.32Å; G115-C118 PolarHBondContact O-N 3.07Å; G115-I119 WeakPolarHBondContact O-CG1 3.12Å; G115-I119 PolarHBondContact O-N 3.07Å
116L93Very high90.5Very high83 Ų8344 Ų4444%0.43521%0.211SC..Hα-helixtrans-66.4-41.3176.2-177.766.3000112F112 V113 C118 I119 F120F112-L116 WeakPolarHBondContact O-CB 3.38Å; F112-L116 PolarHBondContact O-N 3.48Å; V113-L116 PolarHBondContact O-N 2.76Å; V113-L116 VanDerWaalsContact O-N 3.09Å; L116-C118 VanDerWaalsContact C-N 3.3Å; L116-C118 PolarHBondContact O-N 2.93Å; L116-I119 WeakPolarHBondContact O-CB 3.42Å; L116-I119 PolarHBondContact O-N 3.44Å; L116-F120 HydrophobicContact CD1-CD2 4.5Å; L116-F120 HydrophobicContact CD1-CE1 4.35Å; L116-F120 HydrophobicContact CD1-CE2 3.94Å; L116-F120 HydrophobicContact CD1-CZ 3.84Å; L116-F120 HydrophobicContact CD2-CE2 3.81Å; L116-F120 HydrophobicContact CD2-CZ 4.23Å; L116-F120 HydrophobicContact CG-CD2 4.05Å; L116-F120 HydrophobicContact CG-CE2 3.57Å; L116-F120 HydrophobicContact CG-CZ 4.01Å; L116-F120 WeakPolarHBondContact O-CD2 3.25Å; L116-F120 PolarHBondContact O-N 3.34Å
117Q93.7Very high90.6Very high3 Ų343.8 Ų43.81%0.01422%0.217CC..Hα-helixtrans-61.7-39.8175.2-67.4-177.9-34.600111.4F36 V113 L114 I119 F120 F121 Q226 I230F36-Q117 HydrophobicContact CD1-CB 4.08Å; F36-Q117 HydrophobicContact CE1-CB 3.96Å; F36-Q117 HydrophobicContact CZ-CB 4.39Å; V113-Q117 HydrophobicContact CG1-CG 4.22Å; V113-Q117 VanDerWaalsContact O-CG 3.24Å; V113-Q117 WeakPolarHBondContact O-CG 3.45Å; V113-Q117 PolarHBondContact O-N 3.36Å; L114-Q117 PolarHBondContact O-N 2.87Å; Q117-I119 VanDerWaalsContact C-N 3.34Å; Q117-I119 PolarHBondContact O-N 3.45Å; Q117-F120 PolarHBondContact O-N 2.69Å; Q117-F121 WeakPolarHBondContact O-CD2 3.31Å; Q117-F121 PolarHBondContact O-N 3.49Å; Q117-Q226 VanDerWaalsContact CG-OE1 3.27Å; Q117-I230 VanDerWaalsContact NE2-CG1 3.3Å
118C93.2Very high90.7Very high14 Ų1444.1 Ų44.110%0.09522%0.218CC..Hα-helixtrans-55.9-47172.3-174.40000111.8V33 F36 L114 G115 L116 F121 Y122V33-C118 VanDerWaalsContact CG1-SG 3.55Å; V33-C118 PolarHBondContact O-SG 2.81Å; V33-C118 VanDerWaalsContact O-SG 3.4Å; F36-C118 HydrophobicContact CB-CB 3.84Å; L114-C118 WeakPolarHBondContact O-CB 3.35Å; L114-C118 PolarHBondContact O-N 3.24Å; G115-C118 VanDerWaalsContact O-CB 3.28Å; G115-C118 WeakPolarHBondContact O-CB 3.32Å; G115-C118 PolarHBondContact O-N 3.07Å; L116-C118 VanDerWaalsContact C-N 3.3Å; L116-C118 PolarHBondContact O-N 2.93Å; C118-F121 PolarHBondContact O-N 3.43Å; C118-Y122 PolarHBondContact O-N 3.43Å
119I91.7Very high90.5Very high104 Ų10445.7 Ų45.753%0.53323%0.225SC..Hα-helixtrans-62.3-48.2179-66.5166.7000110.3G115 L116 Q117 F121 Y122 I123G115-I119 WeakPolarHBondContact O-CG1 3.12Å; G115-I119 PolarHBondContact O-N 3.07Å; L116-I119 WeakPolarHBondContact O-CB 3.42Å; L116-I119 PolarHBondContact O-N 3.44Å; Q117-I119 VanDerWaalsContact C-N 3.34Å; Q117-I119 PolarHBondContact O-N 3.45Å; I119-F121 VanDerWaalsContact C-N 3.33Å; I119-F121 PolarHBondContact O-N 3.11Å; I119-Y122 WeakPolarHBondContact O-CB 3.13Å; I119-Y122 PolarHBondContact O-N 3.3Å; I119-I123 PolarHBondContact O-N 2.72Å
120F92.8Very high90.3Very high58 Ų5840.8 Ų40.825%0.25422%0.216SC..Hα-helixtrans-61.6-38.7-179.5-71.2-37.4000112.8L116 Q117 Y122 I123 P124 N222 M225 L229L116-F120 HydrophobicContact CD1-CD2 4.5Å; L116-F120 HydrophobicContact CD1-CE1 4.35Å; L116-F120 HydrophobicContact CD1-CE2 3.94Å; L116-F120 HydrophobicContact CD1-CZ 3.84Å; L116-F120 HydrophobicContact CD2-CE2 3.81Å; L116-F120 HydrophobicContact CD2-CZ 4.23Å; L116-F120 HydrophobicContact CG-CD2 4.05Å; L116-F120 HydrophobicContact CG-CE2 3.57Å; L116-F120 HydrophobicContact CG-CZ 4.01Å; L116-F120 WeakPolarHBondContact O-CD2 3.25Å; L116-F120 PolarHBondContact O-N 3.34Å; Q117-F120 PolarHBondContact O-N 2.69Å; F120-Y122 PolarHBondContact O-N 2.72Å; F120-I123 HydrophobicContact CD1-CD1 3.77Å; F120-I123 HydrophobicContact CE1-CD1 4.47Å; F120-I123 PolarHBondContact O-N 2.9Å; F120-P124 WeakPolarHBondContact O-CD 3.21Å; F120-N222 PolarHBondContact O-ND2 3.3Å; F120-M225 HydrophobicContact CD2-CE 4.17Å; F120-M225 HydrophobicContact CE2-CE 4.46Å; F120-M225 HydrophobicContact CG-CE 4.25Å; F120-L229 HydrophobicContact CD2-CD1 4.16Å; F120-L229 HydrophobicContact CE2-CD1 4.11Å
121F91.8Very high89.9Confident0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-65-24.7174-88.9-64.2000113.8N29 V33 F36 Q117 C118 I119 P124 A223 Q226 I338 L341N29-F121 PolarHBondContact ND2-O 2.76Å; N29-F121 WeakPolarHBondContact OD1-CD1 3.37Å; V33-F121 HydrophobicContact CG2-CB 3.8Å; F36-F121 AromaticContact CD2-CD2 3.72Å; F36-F121 HydrophobicContact CD2-CD2 3.72Å; F36-F121 HydrophobicContact CD2-CE2 4.01Å; F36-F121 AromaticContact CE2-CD2 3.46Å; F36-F121 HydrophobicContact CE2-CD2 3.46Å; F36-F121 VanDerWaalsContact CE2-CD2 3.46Å; F36-F121 AromaticContact CE2-CE2 3.24Å; F36-F121 HydrophobicContact CE2-CE2 3.24Å; F36-F121 HydrophobicContact CE2-CZ 4.29Å; F36-F121 HydrophobicContact CZ-CD2 4.31Å; F36-F121 AromaticContact CZ-CE2 3.88Å; F36-F121 HydrophobicContact CZ-CE2 3.88Å; Q117-F121 WeakPolarHBondContact O-CD2 3.31Å; Q117-F121 PolarHBondContact O-N 3.49Å; C118-F121 PolarHBondContact O-N 3.43Å; I119-F121 VanDerWaalsContact C-N 3.33Å; I119-F121 PolarHBondContact O-N 3.11Å; F121-P124 WeakPolarHBondContact O-CD 3.49Å; F121-A223 HydrophobicContact CE1-CB 4.26Å; F121-Q226 HydrophobicContact CD2-CG 4Å; F121-Q226 HydrophobicContact CE1-CG 4.27Å; F121-Q226 HydrophobicContact CE2-CB 3.83Å; F121-Q226 HydrophobicContact CE2-CG 3.42Å; F121-Q226 VanDerWaalsContact CE2-CG 3.42Å; F121-Q226 HydrophobicContact CZ-CB 3.86Å; F121-Q226 HydrophobicContact CZ-CG 3.59Å; F121-I338 HydrophobicContact CE2-CD1 4.21Å; F121-I338 HydrophobicContact CE2-CG1 4.41Å; F121-I338 HydrophobicContact CZ-CD1 4.15Å; F121-I338 HydrophobicContact CZ-CG1 4Å; F121-I338 HydrophobicContact CZ-CG2 4.39Å; F121-L341 HydrophobicContact CE1-CD1 4.39Å
122Y90.2Very high89.5Confident79 Ų7941.9 Ų41.931%0.3122%0.223SC..Hα-helixtrans-82.2-23.9177.4-168.3-119.9000113.8L30 V33 C118 I119 F120 H125 I126L30-Y122 HydrophobicContact CD1-CD2 4.24Å; L30-Y122 HydrophobicContact CD1-CE2 4.2Å; V33-Y122 HydrophobicContact CG1-CD2 4.38Å; V33-Y122 HydrophobicContact CG2-CD2 4.44Å; C118-Y122 PolarHBondContact O-N 3.43Å; I119-Y122 WeakPolarHBondContact O-CB 3.13Å; I119-Y122 PolarHBondContact O-N 3.3Å; F120-Y122 PolarHBondContact O-N 2.72Å; Y122-H125 HydrophobicContact CD2-CB 4.39Å; Y122-H125 HydrophobicContact CE2-CB 4.49Å; Y122-H125 AromaticContact CE2-CD2 3.41Å; Y122-H125 VanDerWaalsContact CE2-CD2 3.41Å; Y122-H125 WeakPolarHBondContact CE2-CD2 3.32Å; Y122-H125 AromaticContact CZ-CD2 3.87Å; Y122-H125 WeakPolarHBondContact O-CB 3.35Å; Y122-H125 PolarHBondContact O-N 3.29Å; Y122-H125 VanDerWaalsContact O-N 3.14Å; Y122-I126 HydrophobicContact CD1-CD1 3.46Å; Y122-I126 VanDerWaalsContact CD1-CD1 3.46Å; Y122-I126 HydrophobicContact CD1-CG1 3.77Å; Y122-I126 HydrophobicContact CE1-CD1 3.5Å; Y122-I126 HydrophobicContact CE1-CG1 3.53Å; Y122-I126 HydrophobicContact CG-CD1 4.47Å; Y122-I126 PolarHBondContact O-N 2.97Å
123I90Very high88.8Confident79 Ų7939 Ų3941%0.40522%0.221SC..Hα-helixtrans-54.2-47.5-178.2-69.2175.8000113.7I119 F120 H125 I126 A127I119-I123 PolarHBondContact O-N 2.72Å; F120-I123 HydrophobicContact CD1-CD1 3.77Å; F120-I123 HydrophobicContact CE1-CD1 4.47Å; F120-I123 PolarHBondContact O-N 2.9Å; I123-H125 PolarHBondContact O-N 3.25Å; I123-I126 PolarHBondContact O-N 2.89Å; I123-A127 PolarHBondContact O-N 2.91Å
124P89Confident87.9Confident3 Ų345.6 Ų45.62%0.01925%0.25CC..Hα-helixtrans-62.6-31-178.9-22.433000113.5F120 F121 A127 W128 I218 T219 N222F120-P124 WeakPolarHBondContact O-CD 3.21Å; F121-P124 WeakPolarHBondContact O-CD 3.49Å; P124-A127 PolarHBondContact O-N 2.78Å; P124-W128 PolarHBondContact O-N 3.21Å; P124-I218 HydrophobicContact CB-CG2 4.48Å; P124-I218 HydrophobicContact CG-CG2 4.3Å; P124-T219 HydrophobicContact CB-CG2 3.33Å; P124-T219 HydrophobicContact CG-CG2 3.91Å; P124-N222 HydrophobicContact CG-CB 4.45Å
125H85.7Confident86.7Confident22 Ų2250.6 Ų50.610%0.10227%0.269CS..Hα-helixtrans-67.5-46.4175.5176.581.1000111.1E22 Y122 I123 A127 W128 Q129E22-H125 IonicContact OE1-CE1 3.17Å; E22-H125 PolarHBondContact OE1-CE1 3.43Å; E22-H125 IonicContact OE1-CG 2.65Å; E22-H125 IonicContact OE1-ND1 3.89Å; E22-H125 PolarHBondContact OE1-ND1 3.16Å; Y122-H125 HydrophobicContact CD2-CB 4.39Å; Y122-H125 HydrophobicContact CE2-CB 4.49Å; Y122-H125 AromaticContact CE2-CD2 3.41Å; Y122-H125 VanDerWaalsContact CE2-CD2 3.41Å; Y122-H125 WeakPolarHBondContact CE2-CD2 3.32Å; Y122-H125 AromaticContact CZ-CD2 3.87Å; Y122-H125 WeakPolarHBondContact O-CB 3.35Å; Y122-H125 PolarHBondContact O-N 3.29Å; Y122-H125 VanDerWaalsContact O-N 3.14Å; I123-H125 PolarHBondContact O-N 3.25Å; H125-A127 VanDerWaalsContact C-N 3.28Å; H125-A127 PolarHBondContact O-N 3.46Å; H125-W128 PolarHBondContact O-N 3.14Å; H125-Q129 PolarHBondContact NE2-NE2 2.91Å; H125-Q129 WeakPolarHBondContact O-CG 2.93Å; H125-Q129 PolarHBondContact O-N 3.37Å
126I87.3Confident85.2Confident81 Ų8149.6 Ų49.642%0.41526%0.258SS..Hα-helixtrans-58.3-43.5172.8-62.6169.5000110.3Y122 I123 W128 Q129 A130Y122-I126 HydrophobicContact CD1-CD1 3.46Å; Y122-I126 VanDerWaalsContact CD1-CD1 3.46Å; Y122-I126 HydrophobicContact CD1-CG1 3.77Å; Y122-I126 HydrophobicContact CE1-CD1 3.5Å; Y122-I126 HydrophobicContact CE1-CG1 3.53Å; Y122-I126 HydrophobicContact CG-CD1 4.47Å; Y122-I126 PolarHBondContact O-N 2.97Å; I123-I126 PolarHBondContact O-N 2.89Å; I126-W128 VanDerWaalsContact C-N 3.31Å; I126-W128 PolarHBondContact O-N 3.47Å; I126-Q129 PolarHBondContact O-N 2.92Å; I126-A130 WeakPolarHBondContact O-CB 3.4Å; I126-A130 PolarHBondContact O-N 3.37Å
127A87.8Confident83.8Confident33 Ų3348.9 Ų48.927%0.27327%0.271SS..Hα-helixtrans-60.5-41.8178.800000111.7I123 P124 H125 A130 V131I123-A127 PolarHBondContact O-N 2.91Å; P124-A127 PolarHBondContact O-N 2.78Å; H125-A127 VanDerWaalsContact C-N 3.28Å; H125-A127 PolarHBondContact O-N 3.46Å; A127-A130 PolarHBondContact O-N 3.15Å; A127-V131 VanDerWaalsContact O-CG2 3.28Å; A127-V131 WeakPolarHBondContact O-CG2 3.02Å; A127-V131 PolarHBondContact O-N 3.26Å
128W88Confident82.6Confident7 Ų749.6 Ų49.63%0.02728%0.279CS..Hα-helixtrans-65.1-44.5175.3-176.2-129.6000112.7V21 P124 H125 I126 A130 V131 C132 L140 Y212 V215 F402V21-W128 HydrophobicContact CG1-CZ2 3.99Å; V21-W128 PolarHBondContact O-NE1 3.1Å; P124-W128 PolarHBondContact O-N 3.21Å; H125-W128 PolarHBondContact O-N 3.14Å; I126-W128 VanDerWaalsContact C-N 3.31Å; I126-W128 PolarHBondContact O-N 3.47Å; W128-A130 VanDerWaalsContact C-N 3.34Å; W128-A130 PolarHBondContact O-N 3.49Å; W128-V131 HydrophobicContact CE3-CB 4.33Å; W128-V131 HydrophobicContact CE3-CG1 4.21Å; W128-V131 HydrophobicContact CZ3-CG1 4.01Å; W128-V131 PolarHBondContact O-N 3.39Å; W128-C132 VanDerWaalsContact CZ2-SG 3.56Å; W128-C132 PolarHBondContact O-N 3.12Å; W128-C132 PolarHBondContact O-SG 3.03Å; W128-L140 HydrophobicContact CZ2-CD2 4.39Å; W128-Y212 HydrophobicContact CD2-CD2 4.25Å; W128-Y212 AromaticContact CE2-CD2 4Å; W128-Y212 HydrophobicContact CE3-CD2 4.07Å; W128-Y212 AromaticContact CH2-CD2 3.47Å; W128-Y212 HydrophobicContact CH2-CD2 3.47Å; W128-Y212 VanDerWaalsContact CH2-CD2 3.47Å; W128-Y212 HydrophobicContact CH2-CE2 4.49Å; W128-Y212 AromaticContact CH2-CG 3.98Å; W128-Y212 HydrophobicContact CH2-CG 3.98Å; W128-Y212 AromaticContact CZ2-CD2 3.62Å; W128-Y212 HydrophobicContact CZ2-CD2 3.62Å; W128-Y212 HydrophobicContact CZ2-CE2 4.23Å; W128-Y212 HydrophobicContact CZ2-CG 4.5Å; W128-Y212 AromaticContact CZ3-CD2 3.7Å; W128-Y212 HydrophobicContact CZ3-CD2 3.7Å; W128-Y212 HydrophobicContact CZ3-CG 4.14Å; W128-V215 HydrophobicContact CB-CG1 4.04Å; W128-V215 HydrophobicContact CB-CG2 4.42Å; W128-V215 HydrophobicContact CE3-CB 4.5Å; W128-V215 HydrophobicContact CE3-CG2 4.1Å; W128-F402 HydrophobicContact CH2-CE1 4.25Å; W128-F402 HydrophobicContact CH2-CZ 4.1Å; W128-F402 HydrophobicContact CZ2-CZ 4.47Å
129Q84.3Confident82Confident69 Ų6952.6 Ų52.632%0.32229%0.294SS..Hα-helixtrans-60.5-44.2176.6-73.5-179-3000111.8H125 I126 V131 C132 A133 F141H125-Q129 PolarHBondContact NE2-NE2 2.91Å; H125-Q129 WeakPolarHBondContact O-CG 2.93Å; H125-Q129 PolarHBondContact O-N 3.37Å; I126-Q129 PolarHBondContact O-N 2.92Å; Q129-V131 VanDerWaalsContact C-N 3.34Å; Q129-V131 PolarHBondContact O-N 3.21Å; Q129-C132 PolarHBondContact O-N 2.9Å; Q129-A133 WeakPolarHBondContact O-CB 3.39Å; Q129-A133 PolarHBondContact O-N 3.2Å; Q129-F141 HydrophobicContact CB-CE2 4.41Å; Q129-F141 HydrophobicContact CB-CZ 4.49Å; Q129-F141 HydrophobicContact CG-CE2 4.08Å; Q129-F141 HydrophobicContact CG-CZ 3.74Å
130A84Confident81.6Confident45 Ų4547.7 Ų47.737%0.37227%0.269SS..Hα-helixtrans-62.5-40.3176.700000112I126 A127 W128 A133 H134I126-A130 WeakPolarHBondContact O-CB 3.4Å; I126-A130 PolarHBondContact O-N 3.37Å; A127-A130 PolarHBondContact O-N 3.15Å; W128-A130 VanDerWaalsContact C-N 3.34Å; W128-A130 PolarHBondContact O-N 3.49Å; A130-A133 PolarHBondContact O-N 3.33Å; A130-H134 WeakPolarHBondContact O-CB 3.5Å; A130-H134 PolarHBondContact O-CD2 2.87Å; A130-H134 VanDerWaalsContact O-CD2 3.27Å; A130-H134 PolarHBondContact O-N 3.02Å
131V83.9Confident81.3Confident26 Ų2647.1 Ų47.116%0.15827%0.267CS..Hα-helixtrans-62.9-47.1174.1166.90000110.9A127 W128 Q129 A133 R135A127-V131 VanDerWaalsContact O-CG2 3.28Å; A127-V131 WeakPolarHBondContact O-CG2 3.02Å; A127-V131 PolarHBondContact O-N 3.26Å; W128-V131 HydrophobicContact CE3-CB 4.33Å; W128-V131 HydrophobicContact CE3-CG1 4.21Å; W128-V131 HydrophobicContact CZ3-CG1 4.01Å; W128-V131 PolarHBondContact O-N 3.39Å; Q129-V131 VanDerWaalsContact C-N 3.34Å; Q129-V131 PolarHBondContact O-N 3.21Å; V131-A133 VanDerWaalsContact C-N 3.33Å; V131-A133 PolarHBondContact O-N 2.99Å; V131-R135 HydrophobicContact CG1-CB 4.41Å; V131-R135 WeakPolarHBondContact O-CB 3.35Å; V131-R135 PolarHBondContact O-N 3.5Å
132C82.5Confident81Confident0 Ų049 Ų490%028%0.282CS..Hα-helixtrans-60.9-42.3179.1-68.30000111.8W128 Q129 S136 L140 F141W128-C132 VanDerWaalsContact CZ2-SG 3.56Å; W128-C132 PolarHBondContact O-N 3.12Å; W128-C132 PolarHBondContact O-SG 3.03Å; Q129-C132 PolarHBondContact O-N 2.9Å; C132-S136 WeakPolarHBondContact O-CB 3.44Å; C132-L140 HydrophobicContact CB-CB 4.22Å; C132-F141 HydrophobicContact CB-CD2 4.19Å; C132-F141 HydrophobicContact CB-CE2 3.63Å; C132-F141 HydrophobicContact CB-CZ 4.42Å
133A77.3Confident80.9Confident60 Ų6045.3 Ų45.350%0.49627%0.267SS..Hα-helixtrans-71.1-42.5-178.300000113.3Q129 A130 V131Q129-A133 WeakPolarHBondContact O-CB 3.39Å; Q129-A133 PolarHBondContact O-N 3.2Å; A130-A133 PolarHBondContact O-N 3.33Å; V131-A133 VanDerWaalsContact C-N 3.33Å; V131-A133 PolarHBondContact O-N 2.99Å
134H74.3Confident80.8Confident170 Ų17041.5 Ų41.579%0.78725%0.248SC*.Hα-helixtrans-97.4-28.4-170.9-69.8-66000114.8A130A130-H134 WeakPolarHBondContact O-CB 3.5Å; A130-H134 PolarHBondContact O-CD2 2.87Å; A130-H134 VanDerWaalsContact O-CD2 3.27Å; A130-H134 PolarHBondContact O-N 3.02Å
135R67.2Low80.7Confident105 Ų10547.1 Ų47.140%0.39627%0.272SS..Hα-helixtrans-103.5-22.7-167.4-169.9168.9-86.8174.90.2113.4V131 G137 H176 C207 S211V131-R135 HydrophobicContact CG1-CB 4.41Å; V131-R135 WeakPolarHBondContact O-CB 3.35Å; V131-R135 PolarHBondContact O-N 3.5Å; R135-G137 VanDerWaalsContact C-N 3.3Å; R135-G137 PolarHBondContact O-N 2.95Å; R135-H176 PolarHBondContact O-NE2 3.21Å; R135-C207 VanDerWaalsContact CD-SG 3.53Å; R135-S211 WeakPolarHBondContact CD-OG 3.32Å; R135-S211 PolarHBondContact NH1-OG 3.38Å
136S62.4Low80.9Confident0 Ų047.4 Ų47.40%028%0.278CS..SBendtrans-83.43.4-170.4-163.10000115.2C132 G138 M172 H176 L208C132-S136 WeakPolarHBondContact O-CB 3.44Å; S136-G138 WeakPolarHBondContact CB-O 3.43Å; S136-G138 PolarHBondContact O-N 3.35Å; S136-M172 WeakPolarHBondContact OG-CE 3.33Å; S136-H176 PolarHBondContact O-CE1 3.2Å; S136-L208 WeakPolarHBondContact OG-CD1 3.07Å
137G62.4Low81.1Confident69 Ų6943.5 Ų43.571%0.71126%0.258SS*.SBendtrans68.8-7.3-176.400000114.6R135R135-G137 VanDerWaalsContact C-N 3.3Å; R135-G137 PolarHBondContact O-N 2.95Å
138G69.4Low81.1Confident18 Ų1842.5 Ų42.519%0.18625%0.25CS..SBendtrans-169163.1178.100000110S136 L140S136-G138 WeakPolarHBondContact CB-O 3.43Å; S136-G138 PolarHBondContact O-N 3.35Å; G138-L140 PolarHBondContact O-N 3.48Å; G138-L140 VanDerWaalsContact O-N 3.11Å
139D80.2Confident81.1Confident76 Ų7646.3 Ų46.341%0.40627%0.271SS..  trans-72105-180-178.39.8000110.9F141 A142 L143D139-F141 PolarHBondContact O-N 2.99Å; D139-F141 VanDerWaalsContact OD1-CB 3.31Å; D139-F141 WeakPolarHBondContact OD1-CB 3.31Å; D139-F141 WeakPolarHBondContact OD1-CD2 3.15Å; D139-F141 PolarHBondContact OD1-N 3.26Å; D139-A142 HydrophobicContact CB-CB 3.87Å; D139-A142 WeakPolarHBondContact O-CB 3.31Å; D139-A142 PolarHBondContact O-N 2.71Å; D139-L143 PolarHBondContact O-N 2.93Å; D139-L143 VanDerWaalsContact O-N 3.09Å
140L84.4Confident81.4Confident1 Ų143 Ų431%0.00526%0.255CS..Hα-helixtrans-59.7-31176.9-17750.7000112.1V21 W128 C132 G138 L143 V144 M172 L403V21-L140 HydrophobicContact CB-CD2 4.49Å; V21-L140 HydrophobicContact CB-CG 4.43Å; V21-L140 HydrophobicContact CG1-CD2 3.55Å; V21-L140 HydrophobicContact CG1-CG 3.82Å; V21-L140 HydrophobicContact CG2-CB 4.47Å; V21-L140 HydrophobicContact CG2-CD2 4.37Å; V21-L140 HydrophobicContact CG2-CG 3.81Å; W128-L140 HydrophobicContact CZ2-CD2 4.39Å; C132-L140 HydrophobicContact CB-CB 4.22Å; G138-L140 PolarHBondContact O-N 3.48Å; G138-L140 VanDerWaalsContact O-N 3.11Å; L140-L143 HydrophobicContact CD1-CB 4.42Å; L140-L143 HydrophobicContact CD1-CD2 3.92Å; L140-L143 PolarHBondContact O-N 2.99Å; L140-V144 HydrophobicContact CD1-CG2 4.15Å; L140-V144 WeakPolarHBondContact O-CG2 3.39Å; L140-V144 PolarHBondContact O-N 3.48Å; L140-V144 VanDerWaalsContact O-N 3.07Å; L140-M172 HydrophobicContact CB-CE 4.47Å; L140-M172 HydrophobicContact CD1-CE 4.45Å; L140-L403 HydrophobicContact CD1-CD2 3.33Å; L140-L403 HydrophobicContact CD2-CD2 4Å; L140-L403 HydrophobicContact CG-CD2 4.31Å
141F84.6Confident81.6Confident47 Ų4742.9 Ų42.921%0.20625%0.254CS..Hα-helixtrans-66.4-41.1175.3-64-82.6000111V21 Q129 C132 D139 L143 V144 K145V21-F141 HydrophobicContact CB-CD1 4.5Å; V21-F141 HydrophobicContact CB-CE1 4.17Å; V21-F141 HydrophobicContact CG2-CD1 3.63Å; V21-F141 HydrophobicContact CG2-CE1 3.77Å; V21-F141 HydrophobicContact CG2-CG 4.12Å; V21-F141 HydrophobicContact CG2-CZ 4.38Å; Q129-F141 HydrophobicContact CB-CE2 4.41Å; Q129-F141 HydrophobicContact CB-CZ 4.49Å; Q129-F141 HydrophobicContact CG-CE2 4.08Å; Q129-F141 HydrophobicContact CG-CZ 3.74Å; C132-F141 HydrophobicContact CB-CD2 4.19Å; C132-F141 HydrophobicContact CB-CE2 3.63Å; C132-F141 HydrophobicContact CB-CZ 4.42Å; D139-F141 PolarHBondContact O-N 2.99Å; D139-F141 VanDerWaalsContact OD1-CB 3.31Å; D139-F141 WeakPolarHBondContact OD1-CB 3.31Å; D139-F141 WeakPolarHBondContact OD1-CD2 3.15Å; D139-F141 PolarHBondContact OD1-N 3.26Å; F141-L143 VanDerWaalsContact C-N 3.32Å; F141-L143 PolarHBondContact O-N 3.35Å; F141-V144 PolarHBondContact O-N 3.23Å; F141-K145 WeakPolarHBondContact O-CB 3.37Å; F141-K145 PolarHBondContact O-N 3.3Å
142A85.8Confident81.7Confident40 Ų4048.3 Ų48.333%0.33128%0.281SS..Hα-helixtrans-62.2-38.9174.200000112D139 K145 A146 F168D139-A142 HydrophobicContact CB-CB 3.87Å; D139-A142 WeakPolarHBondContact O-CB 3.31Å; D139-A142 PolarHBondContact O-N 2.71Å; A142-K145 PolarHBondContact O-N 3.15Å; A142-A146 VanDerWaalsContact O-CB 3.3Å; A142-A146 WeakPolarHBondContact O-CB 3.34Å; A142-A146 PolarHBondContact O-N 3.19Å; A142-F168 HydrophobicContact CB-CE1 4.29Å
143L88.8Confident82Confident0 Ų049.8 Ų49.80%029%0.291CS..Hα-helixtrans-63.1-51.4178.5176.866.6000111.1D139 L140 F141 K145 A146 A147 V165 F168 L169 M172 L407D139-L143 PolarHBondContact O-N 2.93Å; D139-L143 VanDerWaalsContact O-N 3.09Å; L140-L143 HydrophobicContact CD1-CB 4.42Å; L140-L143 HydrophobicContact CD1-CD2 3.92Å; L140-L143 PolarHBondContact O-N 2.99Å; F141-L143 VanDerWaalsContact C-N 3.32Å; F141-L143 PolarHBondContact O-N 3.35Å; L143-K145 VanDerWaalsContact C-N 3.32Å; L143-K145 PolarHBondContact O-N 3.03Å; L143-A146 PolarHBondContact O-N 3.43Å; L143-A147 PolarHBondContact O-N 2.84Å; L143-V165 HydrophobicContact CD1-CG1 4.01Å; L143-F168 HydrophobicContact CB-CD1 3.89Å; L143-F168 HydrophobicContact CB-CE1 3.61Å; L143-F168 HydrophobicContact CD1-CB 4.31Å; L143-F168 HydrophobicContact CD1-CD1 3.51Å; L143-F168 HydrophobicContact CD1-CE1 4.15Å; L143-F168 HydrophobicContact CD1-CG 4.15Å; L143-F168 HydrophobicContact CG-CD1 4.3Å; L143-F168 HydrophobicContact CG-CE1 4.48Å; L143-L169 HydrophobicContact CD1-CB 4.23Å; L143-L169 HydrophobicContact CD2-CD1 3.97Å; L143-M172 HydrophobicContact CB-SD 4.14Å; L143-M172 HydrophobicContact CD2-CE 4.36Å; L143-M172 HydrophobicContact CD2-SD 3.66Å; L143-M172 HydrophobicContact CG-SD 4.3Å; L143-L407 HydrophobicContact CG-CD2 4.4Å
144V88Confident82.4Confident0 Ų054.8 Ų54.80%031%0.305CS..Hα-helixtrans-67.4-36.8-179.5-172.70000110.7V19 V21 L140 F141 A147 A148 L407 N410V19-V144 HydrophobicContact CG1-CB 3.81Å; V19-V144 HydrophobicContact CG1-CG1 3.32Å; V21-V144 HydrophobicContact CG2-CG2 3.96Å; L140-V144 HydrophobicContact CD1-CG2 4.15Å; L140-V144 WeakPolarHBondContact O-CG2 3.39Å; L140-V144 PolarHBondContact O-N 3.48Å; L140-V144 VanDerWaalsContact O-N 3.07Å; F141-V144 PolarHBondContact O-N 3.23Å; V144-A147 PolarHBondContact O-N 2.87Å; V144-A148 WeakPolarHBondContact O-CB 3.47Å; V144-A148 PolarHBondContact O-N 2.84Å; V144-L407 HydrophobicContact CB-CD2 4.44Å; V144-L407 HydrophobicContact CG2-CD2 4.12Å; V144-N410 HydrophobicContact CG1-CB 3.38Å
145K87.6Confident82.9Confident121 Ų12156.5 Ų56.553%0.52630%0.304SS..Hα-helixtrans-61.9-48.1174.4-175.2177.5178.5-179.30111.9V19 F141 A142 L143 A147 A148 D149V19-K145 HydrophobicContact CG1-CB 4.44Å; F141-K145 WeakPolarHBondContact O-CB 3.37Å; F141-K145 PolarHBondContact O-N 3.3Å; A142-K145 PolarHBondContact O-N 3.15Å; L143-K145 VanDerWaalsContact C-N 3.32Å; L143-K145 PolarHBondContact O-N 3.03Å; K145-A147 VanDerWaalsContact C-N 3.26Å; K145-A147 PolarHBondContact O-N 3.21Å; K145-A148 PolarHBondContact O-N 3.17Å; K145-A148 VanDerWaalsContact O-N 3.14Å; K145-D149 WeakPolarHBondContact O-CB 3.13Å; K145-D149 VanDerWaalsContact O-CG 3.31Å; K145-D149 PolarHBondContact O-N 3.21Å
146A89.5Confident83.6Confident27 Ų2754.6 Ų54.622%0.22332%0.317CS..Hα-helixtrans-59.8-38.3176.600000111.8A142 L143 A150 V165A142-A146 VanDerWaalsContact O-CB 3.3Å; A142-A146 WeakPolarHBondContact O-CB 3.34Å; A142-A146 PolarHBondContact O-N 3.19Å; L143-A146 PolarHBondContact O-N 3.43Å; A146-A150 WeakPolarHBondContact O-CB 3.44Å; A146-A150 PolarHBondContact O-N 3.14Å; A146-V165 HydrophobicContact CB-CG2 3.79Å
147A90.3Very high84.9Confident0 Ų057.3 Ų57.30%034%0.336CS..Hα-helixtrans-67.5-39.4174.700000113.2L143 V144 K145 A150 A151 V165 L407 A411 I419L143-A147 PolarHBondContact O-N 2.84Å; V144-A147 PolarHBondContact O-N 2.87Å; K145-A147 VanDerWaalsContact C-N 3.26Å; K145-A147 PolarHBondContact O-N 3.21Å; A147-A150 WeakPolarHBondContact O-CB 2.89Å; A147-A150 PolarHBondContact O-N 2.88Å; A147-A151 PolarHBondContact O-N 3.4Å; A147-V165 HydrophobicContact CB-CG1 4.06Å; A147-L407 HydrophobicContact CB-CD2 3.47Å; A147-L407 VanDerWaalsContact CB-CD2 3.47Å; A147-A411 HydrophobicContact CB-CB 3.94Å; A147-I419 HydrophobicContact CB-CD1 4.16Å
148A88.3Confident86.2Confident12 Ų1256.3 Ų56.310%0.09931%0.311CS..Hα-helixtrans-67.9-40.7175.800000111.8V19 V144 K145 A150 A151 I152V19-A148 HydrophobicContact CG1-CB 4.2Å; V19-A148 HydrophobicContact CG2-CB 3.76Å; V144-A148 WeakPolarHBondContact O-CB 3.47Å; V144-A148 PolarHBondContact O-N 2.84Å; K145-A148 PolarHBondContact O-N 3.17Å; K145-A148 VanDerWaalsContact O-N 3.14Å; A148-A150 VanDerWaalsContact C-N 3.33Å; A148-A150 PolarHBondContact O-N 3.35Å; A148-A151 WeakPolarHBondContact O-CB 3.43Å; A148-A151 PolarHBondContact O-N 2.96Å; A148-A151 VanDerWaalsContact O-N 3.09Å; A148-I152 PolarHBondContact O-N 3.07Å
149D88.4Confident87.1Confident86 Ų8663.2 Ų63.246%0.4634%0.336SS..Hα-helixtrans-64.3-39.7174.6-68.9-21.5000110.7K145 A151 I152 S153K145-D149 WeakPolarHBondContact O-CB 3.13Å; K145-D149 VanDerWaalsContact O-CG 3.31Å; K145-D149 PolarHBondContact O-N 3.21Å; D149-A151 PolarHBondContact O-N 3.34Å; D149-I152 PolarHBondContact O-N 3.37Å; D149-S153 PolarHBondContact O-N 2.91Å
150A90.4Very high87.7Confident0 Ų063.2 Ų63.20%034%0.342CS..Hα-helixtrans-60.9-33172.500000112.4A146 A147 A148 I152 S153 Q161A146-A150 WeakPolarHBondContact O-CB 3.44Å; A146-A150 PolarHBondContact O-N 3.14Å; A147-A150 WeakPolarHBondContact O-CB 2.89Å; A147-A150 PolarHBondContact O-N 2.88Å; A148-A150 VanDerWaalsContact C-N 3.33Å; A148-A150 PolarHBondContact O-N 3.35Å; A150-I152 VanDerWaalsContact C-N 3.35Å; A150-S153 PolarHBondContact O-N 3.13Å; A150-S153 PolarHBondContact O-OG 3.1Å; A150-Q161 HydrophobicContact CB-CB 3.74Å
151A87.8Confident88Confident42 Ų4265.7 Ų65.735%0.34735%0.353SS..Hα-helixtrans-66.4-34.3177.300000113.9A147 A148 D149 I415A147-A151 PolarHBondContact O-N 3.4Å; A148-A151 WeakPolarHBondContact O-CB 3.43Å; A148-A151 PolarHBondContact O-N 2.96Å; A148-A151 VanDerWaalsContact O-N 3.09Å; D149-A151 PolarHBondContact O-N 3.34Å; A151-I415 HydrophobicContact CB-CB 4.48Å; A151-I415 HydrophobicContact CB-CD1 4.3Å; A151-I415 HydrophobicContact CB-CG1 3.59Å
152I87.4Confident88.4Confident141 Ų14163.8 Ų63.872%0.72335%0.346SS*.Hα-helixtrans-87.4-23.9-178.1-59.6167.7000111A148 D149 A150A148-I152 PolarHBondContact O-N 3.07Å; D149-I152 PolarHBondContact O-N 3.37Å; A150-I152 VanDerWaalsContact C-N 3.35Å
153S86.9Confident88.7Confident31 Ų3166.9 Ų66.922%0.21735%0.352CS..SBendtrans-63153.3-176.375.30000114.5D149 A150 R158D149-S153 PolarHBondContact O-N 2.91Å; A150-S153 PolarHBondContact O-N 3.13Å; A150-S153 PolarHBondContact O-OG 3.1Å; S153-R158 WeakPolarHBondContact OG-CA 3.39Å
154E87.6Confident88.9Confident165 Ų16573.5 Ų73.577%0.77138%0.377SS*.  trans-62.4148.7177.9-168.9176.7-177.500111.6G156 S157 R158E154-G156 PolarHBondContact O-N 3.09Å; E154-S157 PolarHBondContact O-N 3.33Å; E154-S157 VanDerWaalsContact O-N 3.12Å; E154-S157 PolarHBondContact O-OG 3.11Å; E154-R158 WeakPolarHBondContact O-CB 3.41Å; E154-R158 PolarHBondContact O-N 2.78Å
155R83Confident89.2Confident205 Ų20573.6 Ų73.677%0.77438%0.377SS*.Hα-helixtrans-51.8-32.8-174.4-72.6-175.3-179.9172.31.6114.1
156G83.4Confident89.4Confident66 Ų6667.8 Ų67.868%0.6835%0.352SS*.Hα-helixtrans-68.1-51.8178.500000113.1E154 R158E154-G156 PolarHBondContact O-N 3.09Å; G156-R158 VanDerWaalsContact C-N 3.35Å
157S88Confident89.5Confident57 Ų5770.3 Ų70.340%0.39936%0.359SS..Hα-helixtrans-74.3-26.417960.80000113.1E154 K159 S160 Q161E154-S157 PolarHBondContact O-N 3.33Å; E154-S157 VanDerWaalsContact O-N 3.12Å; E154-S157 PolarHBondContact O-OG 3.11Å; S157-K159 VanDerWaalsContact C-N 3.29Å; S157-K159 PolarHBondContact O-N 3.48Å; S157-S160 PolarHBondContact O-N 3.47Å; S157-S160 VanDerWaalsContact O-N 3.11Å; S157-Q161 PolarHBondContact O-N 2.86Å; S157-Q161 VanDerWaalsContact O-N 3.11Å
158R90.4Very high89.5Confident48 Ų4873.2 Ų73.218%0.18137%0.372CS..Hα-helixtrans-53.1-41.9-176.3-179173.857.7128.18.6113.2S153 E154 G156 S160 Q161 V162 I415 E418S153-R158 WeakPolarHBondContact OG-CA 3.39Å; E154-R158 WeakPolarHBondContact O-CB 3.41Å; E154-R158 PolarHBondContact O-N 2.78Å; G156-R158 VanDerWaalsContact C-N 3.35Å; R158-S160 PolarHBondContact O-N 3.2Å; R158-Q161 PolarHBondContact O-N 3.31Å; R158-V162 HydrophobicContact CG-CG2 4.13Å; R158-V162 WeakPolarHBondContact O-CB 3.19Å; R158-V162 VanDerWaalsContact O-CG2 3.24Å; R158-V162 WeakPolarHBondContact O-CG2 3.47Å; R158-V162 PolarHBondContact O-N 2.9Å; R158-I415 HydrophobicContact CG-CD1 4.27Å; R158-E418 IonicContact CZ-OE1 3.55Å; R158-E418 IonicContact CZ-OE2 3.45Å; R158-E418 IonicContact NE-OE2 3.81Å; R158-E418 VanDerWaalsContact NH1-CD 3.28Å; R158-E418 IonicContact NH1-OE1 2.78Å; R158-E418 PolarHBondContact NH1-OE1 2.79Å; R158-E418 IonicContact NH1-OE2 3.06Å; R158-E418 PolarHBondContact NH1-OE2 3.27Å; R158-E418 IonicContact NH2-OE1 3.14Å
159K89.2Confident89.6Confident163 Ų16372.7 Ų72.771%0.70937%0.367SS*.Hα-helixtrans-60.9-42.2179.6-69.9-171.9177.8-174.20112.7S157 K163S157-K159 VanDerWaalsContact C-N 3.29Å; S157-K159 PolarHBondContact O-N 3.48Å; K159-K163 WeakPolarHBondContact O-CB 3.37Å; K159-K163 PolarHBondContact O-N 2.9Å
160S91.4Very high89.5Confident75 Ų7569.5 Ų69.552%0.52435%0.349SS..Hα-helixtrans-69.7-39178.1177.40000111.7S157 R158 K163 R164S157-S160 PolarHBondContact O-N 3.47Å; S157-S160 VanDerWaalsContact O-N 3.11Å; R158-S160 PolarHBondContact O-N 3.2Å; S160-K163 PolarHBondContact O-N 2.95Å; S160-R164 PolarHBondContact O-N 3.46Å
161Q91.9Very high89.3Confident53 Ų5374.8 Ų74.825%0.24838%0.378CS..Hα-helixtrans-66-43.4175.2-63.6-62.9-32.700111.8A150 S157 R158 K163 R164 V165A150-Q161 HydrophobicContact CB-CB 3.74Å; S157-Q161 PolarHBondContact O-N 2.86Å; S157-Q161 VanDerWaalsContact O-N 3.11Å; R158-Q161 PolarHBondContact O-N 3.31Å; Q161-K163 VanDerWaalsContact C-N 3.33Å; Q161-K163 PolarHBondContact O-N 3.32Å; Q161-R164 WeakPolarHBondContact O-CB 3.38Å; Q161-R164 PolarHBondContact O-N 3Å; Q161-V165 VanDerWaalsContact O-CG2 3.3Å; Q161-V165 WeakPolarHBondContact O-CG2 3.35Å; Q161-V165 PolarHBondContact O-N 3.43Å
162V93Very high89.2Confident8 Ų873 Ų735%0.04836%0.362CS..Hα-helixtrans-60-44175.4167.20000110.9R158 V165 A166 I415 E418 I419R158-V162 HydrophobicContact CG-CG2 4.13Å; R158-V162 WeakPolarHBondContact O-CB 3.19Å; R158-V162 VanDerWaalsContact O-CG2 3.24Å; R158-V162 WeakPolarHBondContact O-CG2 3.47Å; R158-V162 PolarHBondContact O-N 2.9Å; V162-V165 PolarHBondContact O-N 2.9Å; V162-A166 PolarHBondContact O-N 3.5Å; V162-I415 HydrophobicContact CG2-CG2 4.49Å; V162-E418 HydrophobicContact CG1-CB 3.97Å; V162-E418 HydrophobicContact CG2-CB 4.34Å; V162-I419 HydrophobicContact CG1-CG1 3.92Å
163K92.7Very high88.9Confident105 Ų10566.8 Ų66.846%0.45733%0.33SS..Hα-helixtrans-60.7-45.4176-176.9169.3179.9167.90111.8K159 S160 Q161 V165 A166 E167K159-K163 WeakPolarHBondContact O-CB 3.37Å; K159-K163 PolarHBondContact O-N 2.9Å; S160-K163 PolarHBondContact O-N 2.95Å; Q161-K163 VanDerWaalsContact C-N 3.33Å; Q161-K163 PolarHBondContact O-N 3.32Å; K163-V165 VanDerWaalsContact C-N 3.3Å; K163-V165 PolarHBondContact O-N 2.86Å; K163-A166 WeakPolarHBondContact O-CB 3.24Å; K163-A166 PolarHBondContact O-N 2.79Å; K163-A166 VanDerWaalsContact O-N 3.17Å; K163-E167 WeakPolarHBondContact CE-OE1 3.23Å; K163-E167 HydrophobicContact CG-CG 4.48Å; K163-E167 WeakPolarHBondContact O-CG 3.36Å; K163-E167 PolarHBondContact O-N 3.25Å
164R92.6Very high88.5Confident139 Ų13968.5 Ų68.553%0.52534%0.337SS..Hα-helixtrans-58.9-40.6175-177.2-173.5-63.2175.6-4112.5S160 Q161 F168S160-R164 PolarHBondContact O-N 3.46Å; Q161-R164 WeakPolarHBondContact O-CB 3.38Å; Q161-R164 PolarHBondContact O-N 3Å; R164-F168 WeakPolarHBondContact O-CB 3.3Å; R164-F168 PolarHBondContact O-N 3.37Å
165V92.8Very high87.7Confident1 Ų163.5 Ų63.51%0.00633%0.33CS..Hα-helixtrans-68.5-37.9177.5173.20000111.2L143 A146 A147 Q161 V162 K163 F168 L169 I419L143-V165 HydrophobicContact CD1-CG1 4.01Å; A146-V165 HydrophobicContact CB-CG2 3.79Å; A147-V165 HydrophobicContact CB-CG1 4.06Å; Q161-V165 VanDerWaalsContact O-CG2 3.3Å; Q161-V165 WeakPolarHBondContact O-CG2 3.35Å; Q161-V165 PolarHBondContact O-N 3.43Å; V162-V165 PolarHBondContact O-N 2.9Å; K163-V165 VanDerWaalsContact C-N 3.3Å; K163-V165 PolarHBondContact O-N 2.86Å; V165-F168 PolarHBondContact O-N 2.9Å; V165-L169 WeakPolarHBondContact O-CB 3.32Å; V165-L169 PolarHBondContact O-N 3.49Å; V165-I419 HydrophobicContact CB-CD1 4.4Å; V165-I419 HydrophobicContact CG1-CD1 3.61Å; V165-I419 HydrophobicContact CG1-CG1 4.12Å; V165-I419 HydrophobicContact CG1-CG2 4.42Å
166A92.7Very high86.9Confident0 Ų054.9 Ų54.90%030%0.298CS..Hα-helixtrans-64.4-48.9174.700000111.3V162 K163 F168 L169 E170 I419 A422 L423V162-A166 PolarHBondContact O-N 3.5Å; K163-A166 WeakPolarHBondContact O-CB 3.24Å; K163-A166 PolarHBondContact O-N 2.79Å; K163-A166 VanDerWaalsContact O-N 3.17Å; A166-F168 VanDerWaalsContact C-N 3.33Å; A166-F168 PolarHBondContact O-N 3.27Å; A166-L169 WeakPolarHBondContact O-CB 3.3Å; A166-L169 PolarHBondContact O-N 3.44Å; A166-L169 VanDerWaalsContact O-N 3.13Å; A166-E170 WeakPolarHBondContact O-CG 2.98Å; A166-E170 PolarHBondContact O-N 3.46Å; A166-I419 HydrophobicContact CB-CG2 4.35Å; A166-A422 HydrophobicContact CB-CB 3.82Å; A166-L423 HydrophobicContact CB-CD2 4.04Å; A166-L423 HydrophobicContact CB-CG 4.28Å
167E91.2Very high86Confident79 Ų7955.1 Ų55.137%0.36928%0.281SS..Hα-helixtrans-56.7-45.5174.3-71.4167.8178.100111.3K163 L169 E170 D171K163-E167 WeakPolarHBondContact CE-OE1 3.23Å; K163-E167 HydrophobicContact CG-CG 4.48Å; K163-E167 WeakPolarHBondContact O-CG 3.36Å; K163-E167 PolarHBondContact O-N 3.25Å; E167-L169 VanDerWaalsContact C-N 3.32Å; E167-L169 PolarHBondContact O-N 3.45Å; E167-E170 WeakPolarHBondContact O-CB 3.32Å; E167-E170 PolarHBondContact O-N 3.45Å; E167-D171 PolarHBondContact O-N 3.27Å
168F90.4Very high84.5Confident62 Ų6257.6 Ų57.627%0.27229%0.289SS..Hα-helixtrans-64.3-36.6178.1-175-147.3000112.7A142 L143 R164 V165 A166 M172A142-F168 HydrophobicContact CB-CE1 4.29Å; L143-F168 HydrophobicContact CB-CD1 3.89Å; L143-F168 HydrophobicContact CB-CE1 3.61Å; L143-F168 HydrophobicContact CD1-CB 4.31Å; L143-F168 HydrophobicContact CD1-CD1 3.51Å; L143-F168 HydrophobicContact CD1-CE1 4.15Å; L143-F168 HydrophobicContact CD1-CG 4.15Å; L143-F168 HydrophobicContact CG-CD1 4.3Å; L143-F168 HydrophobicContact CG-CE1 4.48Å; R164-F168 WeakPolarHBondContact O-CB 3.3Å; R164-F168 PolarHBondContact O-N 3.37Å; V165-F168 PolarHBondContact O-N 2.9Å; A166-F168 VanDerWaalsContact C-N 3.33Å; A166-F168 PolarHBondContact O-N 3.27Å; F168-M172 HydrophobicContact CD2-CG 4.39Å; F168-M172 HydrophobicContact CE1-SD 4.38Å; F168-M172 HydrophobicContact CE2-CG 4.16Å; F168-M172 HydrophobicContact CE2-SD 4.2Å; F168-M172 HydrophobicContact CZ-SD 4.1Å; F168-M172 VanDerWaalsContact O-CG 3.29Å; F168-M172 WeakPolarHBondContact O-CG 3.45Å; F168-M172 PolarHBondContact O-N 3.03Å; F168-M172 VanDerWaalsContact O-N 3.12Å
169L90.2Very high82.6Confident0 Ų061.1 Ų61.10%032%0.32CS..Hα-helixtrans-68.7-38.3174.4177.959.7000111.9L143 V165 A166 E167 M172 I173 L403 V404 L407 I419 L423L143-L169 HydrophobicContact CD1-CB 4.23Å; L143-L169 HydrophobicContact CD2-CD1 3.97Å; V165-L169 WeakPolarHBondContact O-CB 3.32Å; V165-L169 PolarHBondContact O-N 3.49Å; A166-L169 WeakPolarHBondContact O-CB 3.3Å; A166-L169 PolarHBondContact O-N 3.44Å; A166-L169 VanDerWaalsContact O-N 3.13Å; E167-L169 VanDerWaalsContact C-N 3.32Å; E167-L169 PolarHBondContact O-N 3.45Å; L169-M172 PolarHBondContact O-N 3.19Å; L169-I173 HydrophobicContact CD1-CD1 4.08Å; L169-I173 HydrophobicContact CD1-CG1 4.39Å; L169-I173 HydrophobicContact CG-CD1 3.93Å; L169-I173 WeakPolarHBondContact O-CD1 3.31Å; L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.33Å; L169-I173 PolarHBondContact O-N 2.95Å; L169-L403 HydrophobicContact CD1-CB 3.7Å; L169-L403 HydrophobicContact CD1-CD1 3.46Å; L169-L403 VanDerWaalsContact CD1-CD1 3.46Å; L169-L403 HydrophobicContact CD1-CG 4.21Å; L169-V404 HydrophobicContact CD2-CG2 4.09Å; L169-L407 HydrophobicContact CD2-CD1 4.19Å; L169-I419 HydrophobicContact CD2-CG2 4.36Å; L169-L423 HydrophobicContact CD2-CD1 3.58Å; L169-L423 HydrophobicContact CD2-CD2 4.33Å; L169-L423 HydrophobicContact CG-CD1 4.47Å; L169-L423 HydrophobicContact CG-CD2 4.48Å
170E87.6Confident80.8Confident19 Ų1963.3 Ų63.39%0.08932%0.324CS..Hα-helixtrans-61.5-48.4173.6-71.9174.8-175.600111.1A166 E167 M172 I173 D174 Y395 L423 H426A166-E170 WeakPolarHBondContact O-CG 2.98Å; A166-E170 PolarHBondContact O-N 3.46Å; E167-E170 WeakPolarHBondContact O-CB 3.32Å; E167-E170 PolarHBondContact O-N 3.45Å; E170-M172 VanDerWaalsContact C-N 3.25Å; E170-M172 PolarHBondContact O-N 2.96Å; E170-I173 CarbonylContact O-C 3.56Å; E170-I173 PolarHBondContact O-N 3.11Å; E170-D174 WeakPolarHBondContact O-CB 2.91Å; E170-D174 PolarHBondContact O-N 2.66Å; E170-Y395 VanDerWaalsContact CG-OH 3.31Å; E170-Y395 WeakPolarHBondContact CG-OH 3.38Å; E170-Y395 PolarHBondContact OE1-OH 2.94Å; E170-Y395 VanDerWaalsContact OE1-OH 3.13Å; E170-L423 HydrophobicContact CG-CD2 3.44Å; E170-L423 VanDerWaalsContact CG-CD2 3.44Å; E170-L423 WeakPolarHBondContact OE1-CD2 3.44Å; E170-H426 WeakPolarHBondContact OE1-CB 3.17Å; E170-H426 IonicContact OE1-CG 3.01Å; E170-H426 IonicContact OE1-ND1 3.46Å; E170-H426 PolarHBondContact OE1-ND1 3.43Å; E170-H426 VanDerWaalsContact OE1-ND1 3.17Å; E170-H426 IonicContact OE2-CE1 3.79Å; E170-H426 IonicContact OE2-CG 2.84Å; E170-H426 IonicContact OE2-ND1 4Å; E170-H426 PolarHBondContact OE2-ND1 3.05Å
171D85.9Confident78.8Confident111 Ų11167.5 Ų67.559%0.59434%0.335SS*.Hα-helixtrans-56.3-41.4176.1-72.2-23.1000111.5E167 G175E167-D171 PolarHBondContact O-N 3.27Å; D171-G175 PolarHBondContact O-N 2.66Å
172M84Confident77.3Confident4 Ų466.9 Ų66.92%0.0234%0.342CS..Hα-helixtrans-65.8-38.5175.6-71.9179.27500112.2S136 L140 L143 F168 L169 E170 H176 L403S136-M172 WeakPolarHBondContact OG-CE 3.33Å; L140-M172 HydrophobicContact CB-CE 4.47Å; L140-M172 HydrophobicContact CD1-CE 4.45Å; L143-M172 HydrophobicContact CB-SD 4.14Å; L143-M172 HydrophobicContact CD2-CE 4.36Å; L143-M172 HydrophobicContact CD2-SD 3.66Å; L143-M172 HydrophobicContact CG-SD 4.3Å; F168-M172 HydrophobicContact CD2-CG 4.39Å; F168-M172 HydrophobicContact CE1-SD 4.38Å; F168-M172 HydrophobicContact CE2-CG 4.16Å; F168-M172 HydrophobicContact CE2-SD 4.2Å; F168-M172 HydrophobicContact CZ-SD 4.1Å; F168-M172 VanDerWaalsContact O-CG 3.29Å; F168-M172 WeakPolarHBondContact O-CG 3.45Å; F168-M172 PolarHBondContact O-N 3.03Å; F168-M172 VanDerWaalsContact O-N 3.12Å; L169-M172 PolarHBondContact O-N 3.19Å; E170-M172 VanDerWaalsContact C-N 3.25Å; E170-M172 PolarHBondContact O-N 2.96Å; M172-H176 PolarHBondContact O-CE1 2.89Å; M172-H176 PolarHBondContact O-ND1 3.38Å; M172-L403 HydrophobicContact CE-CD1 4.49Å
173I82.7Confident75.6Confident11 Ų1177.9 Ų77.96%0.05638%0.383CS..Hα-helixtrans-71.9-43.1178.4-68160.4000110.8L169 E170 H176 Y395 L396L169-I173 HydrophobicContact CD1-CD1 4.08Å; L169-I173 HydrophobicContact CD1-CG1 4.39Å; L169-I173 HydrophobicContact CG-CD1 3.93Å; L169-I173 WeakPolarHBondContact O-CD1 3.31Å; L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.33Å; L169-I173 PolarHBondContact O-N 2.95Å; E170-I173 CarbonylContact O-C 3.56Å; E170-I173 PolarHBondContact O-N 3.11Å; I173-H176 PolarHBondContact O-N 3.38Å; I173-Y395 WeakPolarHBondContact CG2-O 3.47Å; I173-L396 HydrophobicContact CD1-CD1 3.73Å
174D78.2Confident74Confident68 Ų6882.7 Ų82.736%0.36440%0.399SS..Hα-helixtrans-71.6-32.2-178.1-79.6-9.1000112.4E170 H176 K177E170-D174 WeakPolarHBondContact O-CB 2.91Å; E170-D174 PolarHBondContact O-N 2.66Å; D174-H176 PolarHBondContact O-N 3.24Å; D174-K177 WeakPolarHBondContact O-CB 3.49Å; D174-K177 PolarHBondContact O-N 3.02Å; D174-K177 WeakPolarHBondContact OD1-CD 3.38Å; D174-K177 WeakPolarHBondContact OD1-CE 3.31Å; D174-K177 IonicContact OD1-NZ 3.79Å; D174-K177 PolarHBondContact OD1-NZ 2.87Å
175G71.5Confident72.2Confident59 Ų5979.3 Ų79.361%0.60839%0.389SS*.THydrogen-bonded Turntrans-57.7-18.3171.400000114.2D171D171-G175 PolarHBondContact O-N 2.66Å
176H66.1Low70.6Confident24 Ų2483.8 Ų83.811%0.11141%0.413CS..THydrogen-bonded Turntrans-92.8-4.1174.9-64.883.8000113.7R135 S136 M172 I173 D174 D178R135-H176 PolarHBondContact O-NE2 3.21Å; S136-H176 PolarHBondContact O-CE1 3.2Å; M172-H176 PolarHBondContact O-CE1 2.89Å; M172-H176 PolarHBondContact O-ND1 3.38Å; I173-H176 PolarHBondContact O-N 3.38Å; D174-H176 PolarHBondContact O-N 3.24Å; H176-D178 PolarHBondContact O-N 3.12Å
177K64.3Low69.1Low72 Ų7289.9 Ų89.931%0.31345%0.445SS..  trans-83.586.4177.2-67.7179.3179.8163.40110.4D174 C179D174-K177 WeakPolarHBondContact O-CB 3.49Å; D174-K177 PolarHBondContact O-N 3.02Å; D174-K177 WeakPolarHBondContact OD1-CD 3.38Å; D174-K177 WeakPolarHBondContact OD1-CE 3.31Å; D174-K177 IonicContact OD1-NZ 3.79Å; D174-K177 PolarHBondContact OD1-NZ 2.87Å; K177-C179 PolarHBondContact O-N 2.88Å
178D54.8Low67.6Low108 Ų10887.8 Ų87.858%0.57844%0.438SS*.  trans-69.8116.3168.6-83.6-30.2000111.3H176 R180H176-D178 PolarHBondContact O-N 3.12Å; D178-R180 PolarHBondContact O-N 3.01Å
179C52.1Low66.1Low123 Ų12392.6 Ų92.683%0.83145%0.454SS*.  trans-7213.9-179.4-57.70000116K177 H181K177-C179 PolarHBondContact O-N 2.88Å; C179-H181 PolarHBondContact O-N 3Å
180R50Low64.6Low208 Ų208101.8 Ų101.879%0.78549%0.489SS*.  trans-96.199.2-170.2-156.7173-176.8-176.42.3113.1D178D178-R180 PolarHBondContact O-N 3.01Å
181H50.7Low63.2Low163 Ų163102.7 Ų102.776%0.75550%0.499SS*.  trans-71.7125.6171-73.779.2000111.2C179C179-H181 PolarHBondContact O-N 3Å
182G60.6Low61.7Low40 Ų40100.4 Ų100.441%0.41248%0.483SS..  trans-166.4156.7176.500000113.8R184 M185G182-R184 PolarHBondContact O-N 3.3Å; G182-M185 WeakPolarHBondContact O-CB 3.45Å; G182-M185 PolarHBondContact O-N 3.34Å
183R56Low60.4Low239 Ų239106.2 Ų106.290%0.90251%0.514SS*.THydrogen-bonded Turntrans-55.2-25.3-172.2-155.7179.4-100.3177.1-6.7114.6M185 N186R183-M185 PolarHBondContact O-N 2.99Å; R183-N186 PolarHBondContact O-N 2.88Å
184R59Low59Low207 Ų207113.7 Ų113.778%0.78155%0.551SS**Hα-helixtrans-62.5-21.3174.1-140.6175.4-175.1178.21.1113G182 L187 T188G182-R184 PolarHBondContact O-N 3.3Å; R184-L187 PolarHBondContact O-N 3.37Å; R184-T188 PolarHBondContact O-N 3.37Å; R184-T188 PolarHBondContact O-OG1 3.23Å
185M55Low57.8Low67 Ų67113.3 Ų113.333%0.3355%0.553SS.*Hα-helixtrans-63.5-37.4178.9-169.7171.586.200113.1G182 R183 T188 R189G182-M185 WeakPolarHBondContact O-CB 3.45Å; G182-M185 PolarHBondContact O-N 3.34Å; R183-M185 PolarHBondContact O-N 2.99Å; M185-T188 WeakPolarHBondContact CA-OG1 3.39Å; M185-T188 PolarHBondContact O-N 3.5Å; M185-T188 PolarHBondContact O-OG1 3.44Å; M185-R189 VanDerWaalsContact O-CB 3.31Å; M185-R189 WeakPolarHBondContact O-CB 3.41Å; M185-R189 PolarHBondContact O-N 3.08Å
186N59.3Low57.1Low96 Ų96111.2 Ų111.251%0.51353%0.531SS..Hα-helixtrans-70.4-34.4-179-69.8-4.7000112R183 R190R183-N186 PolarHBondContact O-N 2.88Å; N186-R190 PolarHBondContact O-N 3.03Å; N186-R190 VanDerWaalsContact O-N 3.1Å
187L62.2Low56.6Low128 Ų128112 Ų11267%0.6754%0.536SS*.Hα-helixtrans-70.5-42.8177.1-148.589.8000111.2R184 R189 R190 A191R184-L187 PolarHBondContact O-N 3.37Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.11Å; L187-R190 PolarHBondContact O-N 2.94Å; L187-A191 PolarHBondContact O-N 3.47Å; L187-A191 VanDerWaalsContact O-N 3.1Å
188T59.1Low56Low34 Ų34112.8 Ų112.821%0.20955%0.549CS..Hα-helixtrans-66.6-33175.650.60000112.4R184 M185 A191 Y192R184-T188 PolarHBondContact O-N 3.37Å; R184-T188 PolarHBondContact O-OG1 3.23Å; M185-T188 WeakPolarHBondContact CA-OG1 3.39Å; M185-T188 PolarHBondContact O-N 3.5Å; M185-T188 PolarHBondContact O-OG1 3.44Å; T188-A191 PolarHBondContact O-N 3.47Å; T188-Y192 WeakPolarHBondContact O-CB 3.21Å; T188-Y192 PolarHBondContact O-N 2.89Å
189R59.1Low55.8Low164 Ų164109.3 Ų109.362%0.61953%0.532SS*.Hα-helixtrans-67.4-41.7175.3-163.2173.6-171.1178.94.1111.7M185 L187 A191 Y192 D193M185-R189 VanDerWaalsContact O-CB 3.31Å; M185-R189 WeakPolarHBondContact O-CB 3.41Å; M185-R189 PolarHBondContact O-N 3.08Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.11Å; R189-A191 PolarHBondContact O-N 3.24Å; R189-Y192 WeakPolarHBondContact O-CB 3.42Å; R189-Y192 PolarHBondContact O-N 3.28Å; R189-D193 PolarHBondContact O-N 3.45Å
190R59.2Low55.9Low192 Ų192107 Ų10773%0.72551%0.514SS*.Hα-helixtrans-62.8-39.3172.8-76.3-177.7178.5166.2-0.7113.2N186 L187 Y192 D193 M194N186-R190 PolarHBondContact O-N 3.03Å; N186-R190 VanDerWaalsContact O-N 3.1Å; L187-R190 PolarHBondContact O-N 2.94Å; R190-Y192 VanDerWaalsContact C-N 3.32Å; R190-D193 PolarHBondContact O-N 3.07Å; R190-M194 PolarHBondContact O-N 2.92Å
191A57Low56Low38 Ų3898.2 Ų98.231%0.31448%0.484SS..Hα-helixtrans-67-35.1174.800000112.1L187 T188 R189 M194 C195 V199L187-A191 PolarHBondContact O-N 3.47Å; L187-A191 VanDerWaalsContact O-N 3.1Å; T188-A191 PolarHBondContact O-N 3.47Å; R189-A191 PolarHBondContact O-N 3.24Å; A191-M194 PolarHBondContact O-N 3.32Å; A191-C195 PolarHBondContact O-N 2.87Å; A191-C195 VanDerWaalsContact O-N 3.07Å; A191-V199 HydrophobicContact CB-CG2 3.87Å
192Y55.3Low56.1Low64 Ų6497 Ų9725%0.25148%0.476SS..Hα-helixtrans-66.4-36.8174.5175.6-101.4000113.2T188 R189 R190 M194 G196 L204 T206 R398T188-Y192 WeakPolarHBondContact O-CB 3.21Å; T188-Y192 PolarHBondContact O-N 2.89Å; R189-Y192 WeakPolarHBondContact O-CB 3.42Å; R189-Y192 PolarHBondContact O-N 3.28Å; R190-Y192 VanDerWaalsContact C-N 3.32Å; Y192-M194 VanDerWaalsContact C-N 3.28Å; Y192-M194 PolarHBondContact O-N 3Å; Y192-G196 WeakPolarHBondContact O-CA 3.37Å; Y192-G196 PolarHBondContact O-N 3.43Å; Y192-L204 HydrophobicContact CD1-CD2 3.92Å; Y192-L204 HydrophobicContact CD2-CD2 3.05Å; Y192-L204 HydrophobicContact CD2-CG 4.38Å; Y192-L204 HydrophobicContact CE1-CD2 4.24Å; Y192-L204 HydrophobicContact CE2-CB 4.46Å; Y192-L204 HydrophobicContact CE2-CD2 3.4Å; Y192-L204 VanDerWaalsContact CE2-CD2 3.4Å; Y192-L204 HydrophobicContact CG-CD2 3.27Å; Y192-T206 HydrophobicContact CE2-CG2 4.27Å; Y192-R398 VanDerWaalsContact CZ-CZ 3.41Å; Y192-R398 PolarHBondContact OH-NE 3.35Å; Y192-R398 VanDerWaalsContact OH-NE 3.11Å; Y192-R398 PolarHBondContact OH-NH2 3.16Å
193D55.7Low55.7Low125 Ų12599.1 Ų99.167%0.66847%0.472SS*.Hα-helixtrans-68.7-28.6176.3-68.7-21.7000112.3R189 R190R189-D193 PolarHBondContact O-N 3.45Å; R190-D193 PolarHBondContact O-N 3.07Å
194M53.7Low55.7Low168 Ų16889.5 Ų89.583%0.82844%0.438SS*.Hα-helixtrans-85.9-41.6-178.8-164.6178.771.900113.3R190 A191 Y192R190-M194 PolarHBondContact O-N 2.92Å; A191-M194 PolarHBondContact O-N 3.32Å; Y192-M194 VanDerWaalsContact C-N 3.28Å; Y192-M194 PolarHBondContact O-N 3Å
195C53.3Low55.9Low61 Ų6179.7 Ų79.741%0.41240%0.402SS..Hα-helixtrans-152.376.9177.3-169.90000110.3A191 I197 C198A191-C195 PolarHBondContact O-N 2.87Å; A191-C195 VanDerWaalsContact O-N 3.07Å; C195-I197 PolarHBondContact O-N 3.09Å; C195-C198 PolarHBondContact O-N 2.69Å
196G56.6Low56.9Low14 Ų1476.8 Ų76.814%0.14439%0.388CS..THydrogen-bonded Turntrans-63.1-5.3-168.800000116.9Y192 R398Y192-G196 WeakPolarHBondContact O-CA 3.37Å; Y192-G196 PolarHBondContact O-N 3.43Å; G196-R398 PolarHBondContact O-NH1 3.34Å
197I55.3Low57.8Low42 Ų4272.3 Ų72.322%0.21536%0.364CS..THydrogen-bonded Turntrans-102.8-33.6-178.4-63.3163.8000111.5C195 V199 F210 L213 V357C195-I197 PolarHBondContact O-N 3.09Å; I197-V199 VanDerWaalsContact C-N 3.3Å; I197-V199 PolarHBondContact O-N 3.45Å; I197-F210 WeakPolarHBondContact O-CD2 3.4Å; I197-L213 HydrophobicContact CG2-CD1 3.9Å; I197-V357 HydrophobicContact CD1-CB 3.78Å; I197-V357 HydrophobicContact CD1-CG1 3.85Å; I197-V357 HydrophobicContact CD1-CG2 3.11Å
198C52.2Low58.8Low88 Ų8866.2 Ų66.260%0.59533%0.332SS*.THydrogen-bonded Turntrans-80.5-12.1-177.2-64.10000113.4C195 V200C195-C198 PolarHBondContact O-N 2.69Å; C198-V200 PolarHBondContact O-N 2.66Å; C198-V200 VanDerWaalsContact O-N 3.13Å
199V50.9Low60.1Low35 Ų3565.1 Ų65.121%0.21233%0.326CS..  trans-82.994.8177.2-1740000109.1A191 I197 S201A191-V199 HydrophobicContact CB-CG2 3.87Å; I197-V199 VanDerWaalsContact C-N 3.3Å; I197-V199 PolarHBondContact O-N 3.45Å; V199-S201 VanDerWaalsContact C-N 3.3Å; V199-S201 PolarHBondContact O-N 3.06Å
200V54.4Low61.4Low75 Ų7559.7 Ų59.746%0.45531%0.306SS..  trans-66.990.8171-168.10000108.6C198 F210C198-V200 PolarHBondContact O-N 2.66Å; C198-V200 VanDerWaalsContact O-N 3.13Å; V200-F210 HydrophobicContact CB-CD1 4.32Å; V200-F210 HydrophobicContact CB-CE1 4.34Å; V200-F210 HydrophobicContact CG1-CD1 4.15Å; V200-F210 HydrophobicContact CG1-CE1 4.4Å; V200-F210 HydrophobicContact CG2-CD1 3.39Å; V200-F210 HydrophobicContact CG2-CD2 4.14Å; V200-F210 HydrophobicContact CG2-CE1 3.09Å; V200-F210 HydrophobicContact CG2-CE2 3.88Å; V200-F210 HydrophobicContact CG2-CG 3.9Å; V200-F210 HydrophobicContact CG2-CZ 3.35Å
201S50.6Low62.7Low22 Ų2250.7 Ų50.715%0.15427%0.273CS..  trans-127.9116.4171.6-149.30000108.9V199 R203 L204V199-S201 VanDerWaalsContact C-N 3.3Å; V199-S201 PolarHBondContact O-N 3.06Å; S201-R203 PolarHBondContact O-N 2.98Å; S201-R203 WeakPolarHBondContact OG-CB 3.33Å; S201-L204 PolarHBondContact O-N 3.44Å; S201-L204 VanDerWaalsContact O-N 3.12Å
202K53.2Low64.2Low137 Ų13749 Ų4960%0.59626%0.258SS*.G310 helixtrans-45.8-31.6162.8-70.3-172.8173.2-171.60111.1L204K202-L204 PolarHBondContact O-N 3.01Å
203R53Low65.9Low85 Ų8546.4 Ų46.432%0.32125%0.249SC..G310 helixtrans-68.9-19.3-176.3-163.5177.2-83-167.6-11.8115.7S201S201-R203 PolarHBondContact O-N 2.98Å; S201-R203 WeakPolarHBondContact OG-CB 3.33Å
204L55.7Low67.6Low37 Ų3742.4 Ų42.419%0.19423%0.23CC..G310 helixtrans-108.72.8-176.6-79.696.3000114.5Y192 S201 K202 T206Y192-L204 HydrophobicContact CD1-CD2 3.92Å; Y192-L204 HydrophobicContact CD2-CD2 3.05Å; Y192-L204 HydrophobicContact CD2-CG 4.38Å; Y192-L204 HydrophobicContact CE1-CD2 4.24Å; Y192-L204 HydrophobicContact CE2-CB 4.46Å; Y192-L204 HydrophobicContact CE2-CD2 3.4Å; Y192-L204 VanDerWaalsContact CE2-CD2 3.4Å; Y192-L204 HydrophobicContact CG-CD2 3.27Å; S201-L204 PolarHBondContact O-N 3.44Å; S201-L204 VanDerWaalsContact O-N 3.12Å; K202-L204 PolarHBondContact O-N 3.01Å; L204-T206 VanDerWaalsContact C-N 3.26Å; L204-T206 HydrophobicContact CB-CG2 4.26Å; L204-T206 PolarHBondContact O-N 2.74Å
205G64Low69.4Low2 Ų234.9 Ų34.92%0.02119%0.194CC..THydrogen-bonded Turntrans59.439.9-176.300000112.3D399G205-D399 WeakPolarHBondContact CA-OD2 3.32Å; G205-D399 VanDerWaalsContact O-CB 3.3Å; G205-D399 WeakPolarHBondContact O-CB 3.31Å; G205-D399 PolarHBondContact O-N 3.38Å
206T75.2Confident71.3Confident5 Ų532 Ų323%0.03117%0.174CC..  trans-120.77174.460.60000112.5Y192 L204 F210 R398 D399Y192-T206 HydrophobicContact CE2-CG2 4.27Å; L204-T206 VanDerWaalsContact C-N 3.26Å; L204-T206 HydrophobicContact CB-CG2 4.26Å; L204-T206 PolarHBondContact O-N 2.74Å; T206-F210 WeakPolarHBondContact O-CB 3.39Å; T206-F210 PolarHBondContact O-N 2.92Å; T206-R398 HydrophobicContact CG2-CB 4.26Å; T206-R398 HydrophobicContact CG2-CG 4.28Å; T206-D399 VanDerWaalsContact CA-OD1 3.3Å; T206-D399 WeakPolarHBondContact CA-OD1 3.21Å; T206-D399 PolarHBondContact N-OD2 2.94Å; T206-D399 VanDerWaalsContact N-OD2 3.17Å
207C78.2Confident73Confident2 Ų235.1 Ų35.11%0.01419%0.187CC..Hα-helixtrans-75.8-38.9-166.3-1640000111.2R135 S211 D399R135-C207 VanDerWaalsContact CD-SG 3.53Å; C207-S211 VanDerWaalsContact O-CB 3.32Å; C207-S211 WeakPolarHBondContact O-CB 3.39Å; C207-S211 PolarHBondContact O-N 3.07Å; C207-S211 PolarHBondContact O-OG 3.39Å; C207-D399 PolarHBondContact N-OD1 3.39Å; C207-D399 PolarHBondContact N-OD2 3.14Å
208L83.7Confident74.9Confident1 Ų137 Ų371%0.00520%0.196CC..Hα-helixtrans-68.1-46.2176.9-70.6175000111S136 F210 S211 Y212 D399 F402 L403S136-L208 WeakPolarHBondContact OG-CD1 3.07Å; L208-F210 PolarHBondContact O-N 3.41Å; L208-S211 PolarHBondContact O-N 3.19Å; L208-Y212 WeakPolarHBondContact O-CB 3.33Å; L208-Y212 PolarHBondContact O-N 2.85Å; L208-D399 HydrophobicContact CB-CB 4.42Å; L208-D399 HydrophobicContact CD1-CB 4.38Å; L208-D399 PolarHBondContact N-OD1 3.48Å; L208-D399 PolarHBondContact N-OD2 3.18Å; L208-F402 HydrophobicContact CB-CD1 4.44Å; L208-L403 HydrophobicContact CD1-CD1 4.39Å; L208-L403 HydrophobicContact CD1-CD2 4.26Å; L208-L403 HydrophobicContact CD1-CG 4.47Å
209V86.3Confident76.8Confident11 Ų1133 Ų337%0.06717%0.17CC..Hα-helixtrans-59.1-48.5178.5176.80000111.2S211 Y212 L213 M356 D399 F402V209-S211 PolarHBondContact O-N 3.47Å; V209-Y212 PolarHBondContact O-N 3.29Å; V209-L213 HydrophobicContact CG1-CD1 4.28Å; V209-L213 WeakPolarHBondContact O-CG 3.46Å; V209-L213 PolarHBondContact O-N 3.45Å; V209-M356 HydrophobicContact CB-CE 4.3Å; V209-M356 HydrophobicContact CG1-CB 4.08Å; V209-M356 HydrophobicContact CG1-CE 3.84Å; V209-M356 HydrophobicContact CG1-CG 4.03Å; V209-M356 HydrophobicContact CG2-CE 3.42Å; V209-M356 VanDerWaalsContact CG2-CE 3.42Å; V209-D399 WeakPolarHBondContact CG2-OD1 3.24Å; V209-D399 PolarHBondContact N-OD1 2.83Å; V209-D399 VanDerWaalsContact N-OD1 3.14Å; V209-F402 HydrophobicContact CG2-CB 3.5Å; V209-F402 HydrophobicContact CG2-CD1 4.43Å; V209-F402 HydrophobicContact CG2-CD2 4.11Å; V209-F402 HydrophobicContact CG2-CG 3.78Å
210F85.8Confident78.9Confident49 Ų4932.3 Ų32.322%0.21516%0.164CC..Hα-helixtrans-61.6-45.5177.5178.5-93.6000111.6I197 V200 T206 L208 Y212 L213 C214I197-F210 WeakPolarHBondContact O-CD2 3.4Å; V200-F210 HydrophobicContact CB-CD1 4.32Å; V200-F210 HydrophobicContact CB-CE1 4.34Å; V200-F210 HydrophobicContact CG1-CD1 4.15Å; V200-F210 HydrophobicContact CG1-CE1 4.4Å; V200-F210 HydrophobicContact CG2-CD1 3.39Å; V200-F210 HydrophobicContact CG2-CD2 4.14Å; V200-F210 HydrophobicContact CG2-CE1 3.09Å; V200-F210 HydrophobicContact CG2-CE2 3.88Å; V200-F210 HydrophobicContact CG2-CG 3.9Å; V200-F210 HydrophobicContact CG2-CZ 3.35Å; T206-F210 WeakPolarHBondContact O-CB 3.39Å; T206-F210 PolarHBondContact O-N 2.92Å; L208-F210 PolarHBondContact O-N 3.41Å; F210-Y212 VanDerWaalsContact C-N 3.3Å; F210-Y212 PolarHBondContact O-N 3.44Å; F210-L213 PolarHBondContact O-N 3Å; F210-C214 WeakPolarHBondContact CE1-SG 3.46Å; F210-C214 WeakPolarHBondContact CZ-SG 3.07Å; F210-C214 PolarHBondContact O-N 3.46Å; F210-C214 PolarHBondContact O-SG 2.9Å
211S86.7Confident80.8Confident3 Ų333.6 Ų33.62%0.02117%0.168CC..Hα-helixtrans-61.8-39.8-180-55.30000111.6R135 C207 L208 V209 C214 V215R135-S211 WeakPolarHBondContact CD-OG 3.32Å; R135-S211 PolarHBondContact NH1-OG 3.38Å; C207-S211 VanDerWaalsContact O-CB 3.32Å; C207-S211 WeakPolarHBondContact O-CB 3.39Å; C207-S211 PolarHBondContact O-N 3.07Å; C207-S211 PolarHBondContact O-OG 3.39Å; L208-S211 PolarHBondContact O-N 3.19Å; V209-S211 PolarHBondContact O-N 3.47Å; S211-C214 WeakPolarHBondContact O-CB 3.44Å; S211-C214 PolarHBondContact O-N 3.15Å; S211-V215 WeakPolarHBondContact O-CG2 3.37Å; S211-V215 PolarHBondContact O-N 3.49Å
212Y89.3Confident82.9Confident3 Ų333.3 Ų33.31%0.01216%0.164CC..Hα-helixtrans-63.7-44.6174.7-179.4-107.9000112.3D26 W128 L208 V209 F210 C214 V215 K216 W352 F402 M406D26-Y212 PolarHBondContact OD2-OH 2.85Å; W128-Y212 HydrophobicContact CD2-CD2 4.25Å; W128-Y212 AromaticContact CE2-CD2 4Å; W128-Y212 HydrophobicContact CE3-CD2 4.07Å; W128-Y212 AromaticContact CH2-CD2 3.47Å; W128-Y212 HydrophobicContact CH2-CD2 3.47Å; W128-Y212 VanDerWaalsContact CH2-CD2 3.47Å; W128-Y212 HydrophobicContact CH2-CE2 4.49Å; W128-Y212 AromaticContact CH2-CG 3.98Å; W128-Y212 HydrophobicContact CH2-CG 3.98Å; W128-Y212 AromaticContact CZ2-CD2 3.62Å; W128-Y212 HydrophobicContact CZ2-CD2 3.62Å; W128-Y212 HydrophobicContact CZ2-CE2 4.23Å; W128-Y212 HydrophobicContact CZ2-CG 4.5Å; W128-Y212 AromaticContact CZ3-CD2 3.7Å; W128-Y212 HydrophobicContact CZ3-CD2 3.7Å; W128-Y212 HydrophobicContact CZ3-CG 4.14Å; L208-Y212 WeakPolarHBondContact O-CB 3.33Å; L208-Y212 PolarHBondContact O-N 2.85Å; V209-Y212 PolarHBondContact O-N 3.29Å; F210-Y212 VanDerWaalsContact C-N 3.3Å; F210-Y212 PolarHBondContact O-N 3.44Å; Y212-C214 VanDerWaalsContact C-N 3.32Å; Y212-C214 PolarHBondContact O-N 2.81Å; Y212-V215 PolarHBondContact O-N 2.87Å; Y212-K216 HydrophobicContact CE1-CG 4.25Å; Y212-K216 WeakPolarHBondContact O-CG 3.33Å; Y212-K216 PolarHBondContact O-N 3.49Å; Y212-K216 WeakPolarHBondContact OH-CE 3.31Å; Y212-K216 PolarHBondContact OH-NZ 3.26Å; Y212-W352 HydrophobicContact CD1-CD2 4.44Å; Y212-W352 HydrophobicContact CE1-CB 4.39Å; Y212-W352 AromaticContact CE1-CD1 3.84Å; Y212-W352 AromaticContact CE1-CD2 3.55Å; Y212-W352 HydrophobicContact CE1-CD2 3.55Å; Y212-W352 AromaticContact CE1-CE2 3.66Å; Y212-W352 HydrophobicContact CE1-CE3 4.04Å; Y212-W352 AromaticContact CE1-CG 3.69Å; Y212-W352 HydrophobicContact CE1-CG 3.69Å; Y212-W352 HydrophobicContact CE1-CZ2 4.22Å; Y212-W352 AromaticContact CE1-NE1 3.85Å; Y212-W352 AromaticContact CZ-CE2 3.91Å; Y212-W352 AromaticContact CZ-NE1 3.94Å; Y212-W352 PolarHBondContact OH-NE1 3.26Å; Y212-W352 VanDerWaalsContact OH-NE1 3.09Å; Y212-F402 AromaticContact CD1-CE2 3.59Å; Y212-F402 HydrophobicContact CD1-CE2 3.59Å; Y212-F402 AromaticContact CD1-CZ 3.91Å; Y212-F402 HydrophobicContact CD1-CZ 3.91Å; Y212-F402 HydrophobicContact CD2-CZ 4.05Å; Y212-F402 HydrophobicContact CE1-CE2 4.04Å; Y212-F402 HydrophobicContact CE1-CZ 4.47Å; Y212-F402 AromaticContact CG-CE2 3.84Å; Y212-F402 HydrophobicContact CG-CE2 3.84Å; Y212-F402 AromaticContact CG-CZ 3.65Å; Y212-F402 HydrophobicContact CG-CZ 3.65Å; Y212-M406 HydrophobicContact CD2-CE 4.11Å; Y212-M406 HydrophobicContact CE1-CE 4.06Å; Y212-M406 HydrophobicContact CE2-CE 3.54Å; Y212-M406 VanDerWaalsContact CZ-CE 3.48Å
213L91Very high84.8Confident10 Ų1027 Ų275%0.05214%0.137CC..Hα-helixtrans-62.3-38.8174.9-68.5174.1000111.9I197 V209 F210 K216 I217 L349 W352 L353I197-L213 HydrophobicContact CG2-CD1 3.9Å; V209-L213 HydrophobicContact CG1-CD1 4.28Å; V209-L213 WeakPolarHBondContact O-CG 3.46Å; V209-L213 PolarHBondContact O-N 3.45Å; F210-L213 PolarHBondContact O-N 3Å; L213-K216 WeakPolarHBondContact O-CB 3.46Å; L213-K216 PolarHBondContact O-N 2.97Å; L213-I217 WeakPolarHBondContact O-CG1 3.37Å; L213-I217 PolarHBondContact O-N 3.2Å; L213-L349 HydrophobicContact CD2-CD1 3.84Å; L213-W352 HydrophobicContact CD2-CB 4.28Å; L213-L353 HydrophobicContact CD1-CD2 3.86Å; L213-L353 HydrophobicContact CD2-CD2 3.94Å; L213-L353 HydrophobicContact CD2-CG 4.2Å
214C90.8Very high86.6Confident40 Ų4026 Ų2627%0.2714%0.138SC..Hα-helixtrans-62.6-44173.6-73.50000112.2F210 S211 Y212 K216 I217 I218F210-C214 WeakPolarHBondContact CE1-SG 3.46Å; F210-C214 WeakPolarHBondContact CZ-SG 3.07Å; F210-C214 PolarHBondContact O-N 3.46Å; F210-C214 PolarHBondContact O-SG 2.9Å; S211-C214 WeakPolarHBondContact O-CB 3.44Å; S211-C214 PolarHBondContact O-N 3.15Å; Y212-C214 VanDerWaalsContact C-N 3.32Å; Y212-C214 PolarHBondContact O-N 2.81Å; C214-K216 VanDerWaalsContact C-N 3.3Å; C214-K216 PolarHBondContact O-N 3.47Å; C214-I217 PolarHBondContact O-N 3.33Å; C214-I218 VanDerWaalsContact O-CG1 3.28Å; C214-I218 WeakPolarHBondContact O-CG1 3.4Å; C214-I218 PolarHBondContact O-N 3.35Å
215V91.7Very high88.3Confident10 Ų1027.7 Ų27.76%0.06115%0.146CC..Hα-helixtrans-59.6-43175.2168.10000110.7W128 S211 Y212 I217 I218 T219W128-V215 HydrophobicContact CB-CG1 4.04Å; W128-V215 HydrophobicContact CB-CG2 4.42Å; W128-V215 HydrophobicContact CE3-CB 4.5Å; W128-V215 HydrophobicContact CE3-CG2 4.1Å; S211-V215 WeakPolarHBondContact O-CG2 3.37Å; S211-V215 PolarHBondContact O-N 3.49Å; Y212-V215 PolarHBondContact O-N 2.87Å; V215-I217 VanDerWaalsContact C-N 3.33Å; V215-I217 PolarHBondContact O-N 3.47Å; V215-I218 CarbonylContact O-C 3.58Å; V215-I218 WeakPolarHBondContact O-CB 3.21Å; V215-I218 PolarHBondContact O-N 3.45Å; V215-T219 WeakPolarHBondContact O-CG2 3.31Å; V215-T219 PolarHBondContact O-N 3.21Å
216K92.5Very high89.7Confident1 Ų127.6 Ų27.60%0.00415%0.145CC..Hα-helixtrans-59.1-42.9174.7-70.9-75.5-178.4-179.40112.3D26 Y212 L213 C214 T219 I220 S348 L349D26-K216 WeakPolarHBondContact OD1-CE 3.43Å; D26-K216 IonicContact OD1-NZ 2.83Å; D26-K216 PolarHBondContact OD1-NZ 3.36Å; D26-K216 WeakPolarHBondContact OD2-CE 3.37Å; D26-K216 IonicContact OD2-NZ 2.76Å; D26-K216 PolarHBondContact OD2-NZ 2.9Å; Y212-K216 HydrophobicContact CE1-CG 4.25Å; Y212-K216 WeakPolarHBondContact O-CG 3.33Å; Y212-K216 PolarHBondContact O-N 3.49Å; Y212-K216 WeakPolarHBondContact OH-CE 3.31Å; Y212-K216 PolarHBondContact OH-NZ 3.26Å; L213-K216 WeakPolarHBondContact O-CB 3.46Å; L213-K216 PolarHBondContact O-N 2.97Å; C214-K216 VanDerWaalsContact C-N 3.3Å; C214-K216 PolarHBondContact O-N 3.47Å; K216-T219 VanDerWaalsContact C-OG1 3.32Å; K216-T219 WeakPolarHBondContact CA-OG1 3.47Å; K216-T219 PolarHBondContact O-N 3.14Å; K216-T219 PolarHBondContact O-OG1 2.95Å; K216-I220 WeakPolarHBondContact O-CG1 3.38Å; K216-I220 PolarHBondContact O-N 2.91Å; K216-I220 VanDerWaalsContact O-N 3.13Å; K216-S348 PolarHBondContact NZ-OG 3.22Å; K216-L349 HydrophobicContact CB-CD1 3.85Å
217I93.6Very high90.3Very high80 Ų8027.4 Ų27.441%0.4114%0.143SC..Hα-helixtrans-64.1-44175.9-67.7165.6000110.5L213 C214 V215 T219 I220 I221 L349L213-I217 WeakPolarHBondContact O-CG1 3.37Å; L213-I217 PolarHBondContact O-N 3.2Å; C214-I217 PolarHBondContact O-N 3.33Å; V215-I217 VanDerWaalsContact C-N 3.33Å; V215-I217 PolarHBondContact O-N 3.47Å; I217-T219 VanDerWaalsContact C-N 3.31Å; I217-T219 PolarHBondContact O-N 3.41Å; I217-I220 PolarHBondContact O-N 2.9Å; I217-I221 HydrophobicContact CG2-CD1 3.67Å; I217-I221 HydrophobicContact CG2-CG1 4.29Å; I217-I221 WeakPolarHBondContact O-CG1 3.06Å; I217-I221 PolarHBondContact O-N 3.27Å; I217-L349 HydrophobicContact CG1-CD1 4.47Å; I217-L349 HydrophobicContact CG1-CD2 4.12Å
218I93.6Very high90.7Very high80 Ų8033.8 Ų33.841%0.4117%0.168SC..Hα-helixtrans-59.6-41175.7-67.6164.4000110.9P124 C214 V215 I220 I221 N222P124-I218 HydrophobicContact CB-CG2 4.48Å; P124-I218 HydrophobicContact CG-CG2 4.3Å; C214-I218 VanDerWaalsContact O-CG1 3.28Å; C214-I218 WeakPolarHBondContact O-CG1 3.4Å; C214-I218 PolarHBondContact O-N 3.35Å; V215-I218 CarbonylContact O-C 3.58Å; V215-I218 WeakPolarHBondContact O-CB 3.21Å; V215-I218 PolarHBondContact O-N 3.45Å; I218-I220 VanDerWaalsContact C-N 3.34Å; I218-I220 PolarHBondContact O-N 3.39Å; I218-I221 PolarHBondContact O-N 3.24Å; I218-N222 VanDerWaalsContact O-CB 3.23Å; I218-N222 WeakPolarHBondContact O-CB 3.42Å; I218-N222 PolarHBondContact O-N 3.27Å
219T92.9Very high90.9Very high6 Ų636.3 Ų36.34%0.03718%0.181CC..Hα-helixtrans-61-41.3175.855.20000112.5P124 V215 K216 I217 A223P124-T219 HydrophobicContact CB-CG2 3.33Å; P124-T219 HydrophobicContact CG-CG2 3.91Å; V215-T219 WeakPolarHBondContact O-CG2 3.31Å; V215-T219 PolarHBondContact O-N 3.21Å; K216-T219 VanDerWaalsContact C-OG1 3.32Å; K216-T219 WeakPolarHBondContact CA-OG1 3.47Å; K216-T219 PolarHBondContact O-N 3.14Å; K216-T219 PolarHBondContact O-OG1 2.95Å; I217-T219 VanDerWaalsContact C-N 3.31Å; I217-T219 PolarHBondContact O-N 3.41Å; T219-A223 WeakPolarHBondContact O-CB 3.38Å; T219-A223 PolarHBondContact O-N 2.95Å
220I94.4Very high90.9Very high19 Ų1935.8 Ų35.810%0.09718%0.178CC..Hα-helixtrans-69.4-46.9179.8-67.1163.8000110.4K216 I217 I218 N222 A223 I224 I346 L349K216-I220 WeakPolarHBondContact O-CG1 3.38Å; K216-I220 PolarHBondContact O-N 2.91Å; K216-I220 VanDerWaalsContact O-N 3.13Å; I217-I220 PolarHBondContact O-N 2.9Å; I218-I220 VanDerWaalsContact C-N 3.34Å; I218-I220 PolarHBondContact O-N 3.39Å; I220-N222 VanDerWaalsContact C-N 3.28Å; I220-N222 PolarHBondContact O-N 3.42Å; I220-A223 PolarHBondContact O-N 3.49Å; I220-I224 HydrophobicContact CG2-CD1 3.83Å; I220-I224 HydrophobicContact CG2-CG1 4.49Å; I220-I224 WeakPolarHBondContact O-CG1 3.37Å; I220-I224 PolarHBondContact O-N 2.97Å; I220-I346 HydrophobicContact CD1-CG1 4.06Å; I220-I346 HydrophobicContact CG1-CG1 4.47Å; I220-I346 HydrophobicContact CG2-CG1 4.33Å; I220-L349 HydrophobicContact CD1-CB 4.15Å; I220-L349 HydrophobicContact CD1-CD2 3.71Å
221I94.4Very high90.5Very high103 Ų10334.1 Ų34.153%0.52817%0.171SC..Hα-helixtrans-59-44.2177.1-68170.8000110.1I217 I218 I224 M225I217-I221 HydrophobicContact CG2-CD1 3.67Å; I217-I221 HydrophobicContact CG2-CG1 4.29Å; I217-I221 WeakPolarHBondContact O-CG1 3.06Å; I217-I221 PolarHBondContact O-N 3.27Å; I218-I221 PolarHBondContact O-N 3.24Å; I221-I224 PolarHBondContact O-N 3.28Å; I221-M225 WeakPolarHBondContact O-CB 3.32Å; I221-M225 PolarHBondContact O-N 3.45Å
222N94.8Very high90.2Very high16 Ų1639.2 Ų39.29%0.08619%0.19CC..Hα-helixtrans-60.4-50.2176.2-176.240.9000110.9F120 P124 I218 I220 I224 M225 Q226F120-N222 PolarHBondContact O-ND2 3.3Å; P124-N222 HydrophobicContact CG-CB 4.45Å; I218-N222 VanDerWaalsContact O-CB 3.23Å; I218-N222 WeakPolarHBondContact O-CB 3.42Å; I218-N222 PolarHBondContact O-N 3.27Å; I220-N222 VanDerWaalsContact C-N 3.28Å; I220-N222 PolarHBondContact O-N 3.42Å; N222-I224 VanDerWaalsContact C-N 3.31Å; N222-I224 PolarHBondContact O-N 2.97Å; N222-M225 CarbonylContact O-C 3.55Å; N222-M225 WeakPolarHBondContact O-CA 3.4Å; N222-M225 WeakPolarHBondContact O-CB 3.31Å; N222-M225 PolarHBondContact O-N 3.31Å; N222-M225 VanDerWaalsContact O-N 3.08Å; N222-Q226 VanDerWaalsContact O-CG 3.29Å; N222-Q226 WeakPolarHBondContact O-CG 3.3Å; N222-Q226 PolarHBondContact O-N 3.46Å; N222-Q226 PolarHBondContact OD1-NE2 2.92Å
223A93.3Very high90Very high3 Ų341.1 Ų41.13%0.02520%0.198CC..Hα-helixtrans-58.1-41.1178.600000112.8F121 T219 I220 Q226 V227 I338 I342F121-A223 HydrophobicContact CE1-CB 4.26Å; T219-A223 WeakPolarHBondContact O-CB 3.38Å; T219-A223 PolarHBondContact O-N 2.95Å; I220-A223 PolarHBondContact O-N 3.49Å; A223-Q226 PolarHBondContact O-N 3.4Å; A223-V227 PolarHBondContact O-N 3.44Å; A223-I338 HydrophobicContact CB-CG2 4.27Å; A223-I338 WeakPolarHBondContact O-CG2 3.48Å; A223-I342 HydrophobicContact CB-CD1 4.29Å; A223-I342 HydrophobicContact CB-CG1 3.62Å
224I91.6Very high89.2Confident65 Ų6541.4 Ų41.433%0.33320%0.2SC..Hα-helixtrans-63.1-45.5174.4-68167.4000111I220 I221 N222 Q226 V227 Y228 F273 I342I220-I224 HydrophobicContact CG2-CD1 3.83Å; I220-I224 HydrophobicContact CG2-CG1 4.49Å; I220-I224 WeakPolarHBondContact O-CG1 3.37Å; I220-I224 PolarHBondContact O-N 2.97Å; I221-I224 PolarHBondContact O-N 3.28Å; N222-I224 VanDerWaalsContact C-N 3.31Å; N222-I224 PolarHBondContact O-N 2.97Å; I224-Q226 PolarHBondContact O-N 2.94Å; I224-V227 PolarHBondContact O-N 3.19Å; I224-Y228 PolarHBondContact O-N 3.33Å; I224-Y228 VanDerWaalsContact O-N 3.07Å; I224-F273 HydrophobicContact CG2-CE1 4.25Å; I224-F273 HydrophobicContact CG2-CZ 3.84Å; I224-I342 HydrophobicContact CG1-CD1 4Å; I224-I342 HydrophobicContact CG1-CG1 4.43Å
225M91.3Very high88Confident73 Ų7341.3 Ų41.336%0.3621%0.205SC..Hα-helixtrans-59.1-36.5175.7-174.6-173.674.500111.5F120 I221 N222 Y228 L229F120-M225 HydrophobicContact CD2-CE 4.17Å; F120-M225 HydrophobicContact CE2-CE 4.46Å; F120-M225 HydrophobicContact CG-CE 4.25Å; I221-M225 WeakPolarHBondContact O-CB 3.32Å; I221-M225 PolarHBondContact O-N 3.45Å; N222-M225 CarbonylContact O-C 3.55Å; N222-M225 WeakPolarHBondContact O-CA 3.4Å; N222-M225 WeakPolarHBondContact O-CB 3.31Å; N222-M225 PolarHBondContact O-N 3.31Å; N222-M225 VanDerWaalsContact O-N 3.08Å; M225-Y228 WeakPolarHBondContact O-CB 3.42Å; M225-Y228 PolarHBondContact O-N 3.34Å; M225-L229 HydrophobicContact CE-CD1 4.3Å; M225-L229 HydrophobicContact CG-CD1 4.37Å; M225-L229 HydrophobicContact CG-CG 4.47Å; M225-L229 WeakPolarHBondContact O-CB 3.4Å; M225-L229 VanDerWaalsContact O-CG 3.31Å; M225-L229 WeakPolarHBondContact O-CG 3.28Å; M225-L229 PolarHBondContact O-N 3.44Å
226Q92.3Very high86.4Confident0 Ų044.6 Ų44.60%022%0.219CC..Hα-helixtrans-66.5-40176.8-62.1-55.6-3000112.7Q117 F121 N222 A223 I224 Y228 L229 I230 I338Q117-Q226 VanDerWaalsContact CG-OE1 3.27Å; F121-Q226 HydrophobicContact CD2-CG 4Å; F121-Q226 HydrophobicContact CE1-CG 4.27Å; F121-Q226 HydrophobicContact CE2-CB 3.83Å; F121-Q226 HydrophobicContact CE2-CG 3.42Å; F121-Q226 VanDerWaalsContact CE2-CG 3.42Å; F121-Q226 HydrophobicContact CZ-CB 3.86Å; F121-Q226 HydrophobicContact CZ-CG 3.59Å; N222-Q226 VanDerWaalsContact O-CG 3.29Å; N222-Q226 WeakPolarHBondContact O-CG 3.3Å; N222-Q226 PolarHBondContact O-N 3.46Å; N222-Q226 PolarHBondContact OD1-NE2 2.92Å; A223-Q226 PolarHBondContact O-N 3.4Å; I224-Q226 PolarHBondContact O-N 2.94Å; Q226-Y228 VanDerWaalsContact C-N 3.32Å; Q226-Y228 PolarHBondContact O-N 3.46Å; Q226-L229 PolarHBondContact O-N 3.34Å; Q226-I230 WeakPolarHBondContact O-CG1 3.33Å; Q226-I230 PolarHBondContact O-N 3.43Å; Q226-I338 HydrophobicContact CB-CD1 4.26Å
227V88.7Confident84.5Confident1 Ų149.7 Ų49.71%0.00624%0.239CC..Hα-helixtrans-59.6-46.5172.7178.10000110.2A223 I224 L229 I230 Q231 F273 I338 I342A223-V227 PolarHBondContact O-N 3.44Å; I224-V227 PolarHBondContact O-N 3.19Å; V227-L229 PolarHBondContact O-N 3.45Å; V227-I230 PolarHBondContact O-N 2.89Å; V227-Q231 WeakPolarHBondContact O-CG 3.35Å; V227-Q231 PolarHBondContact O-N 3.26Å; V227-Q231 VanDerWaalsContact O-N 3.1Å; V227-F273 HydrophobicContact CG1-CD1 4.23Å; V227-F273 HydrophobicContact CG1-CE1 4.32Å; V227-I338 HydrophobicContact CG2-CB 4.15Å; V227-I338 HydrophobicContact CG2-CG2 3.45Å; V227-I338 VanDerWaalsContact CG2-CG2 3.45Å; V227-I342 HydrophobicContact CG2-CD1 3.95Å
228Y85.6Confident82.1Confident135 Ų13549.4 Ų49.453%0.52925%0.248SC..Hα-helixtrans-60.7-42.1176.5178.9-98000112.3I224 M225 Q226 I230 Q231 R232I224-Y228 PolarHBondContact O-N 3.33Å; I224-Y228 VanDerWaalsContact O-N 3.07Å; M225-Y228 WeakPolarHBondContact O-CB 3.42Å; M225-Y228 PolarHBondContact O-N 3.34Å; Q226-Y228 VanDerWaalsContact C-N 3.32Å; Q226-Y228 PolarHBondContact O-N 3.46Å; Y228-I230 PolarHBondContact O-N 3.2Å; Y228-Q231 PolarHBondContact O-N 2.89Å; Y228-R232 VanDerWaalsContact O-CB 3.3Å; Y228-R232 WeakPolarHBondContact O-CB 3.48Å; Y228-R232 PolarHBondContact O-N 3.38Å
229L87.9Confident79.4Confident54 Ų5452.1 Ų52.128%0.28326%0.264SS..Hα-helixtrans-62.4-42.2176.8-75.5173.5000112.1F120 M225 Q226 V227 Q231 R232 F233F120-L229 HydrophobicContact CD2-CD1 4.16Å; F120-L229 HydrophobicContact CE2-CD1 4.11Å; M225-L229 HydrophobicContact CE-CD1 4.3Å; M225-L229 HydrophobicContact CG-CD1 4.37Å; M225-L229 HydrophobicContact CG-CG 4.47Å; M225-L229 WeakPolarHBondContact O-CB 3.4Å; M225-L229 VanDerWaalsContact O-CG 3.31Å; M225-L229 WeakPolarHBondContact O-CG 3.28Å; M225-L229 PolarHBondContact O-N 3.44Å; Q226-L229 PolarHBondContact O-N 3.34Å; V227-L229 PolarHBondContact O-N 3.45Å; L229-Q231 VanDerWaalsContact C-N 3.34Å; L229-Q231 PolarHBondContact O-N 2.98Å; L229-R232 PolarHBondContact O-N 3.23Å; L229-F233 WeakPolarHBondContact O-CB 3.47Å; L229-F233 PolarHBondContact O-N 3.34Å
230I86Confident76.8Confident1 Ų154.3 Ų54.31%0.00529%0.288CS..Hα-helixtrans-60.6-46.1176.2-68.8170.6000110.3Q117 Q226 V227 Y228 F233 L234 Y331 F334 I338Q117-I230 VanDerWaalsContact NE2-CG1 3.3Å; Q226-I230 WeakPolarHBondContact O-CG1 3.33Å; Q226-I230 PolarHBondContact O-N 3.43Å; V227-I230 PolarHBondContact O-N 2.89Å; Y228-I230 PolarHBondContact O-N 3.2Å; I230-F233 PolarHBondContact O-N 2.81Å; I230-L234 HydrophobicContact CG2-CD1 3.88Å; I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 WeakPolarHBondContact O-CG 3.5Å; I230-L234 PolarHBondContact O-N 2.71Å; I230-Y331 HydrophobicContact CG1-CD1 4.28Å; I230-Y331 HydrophobicContact CG1-CE1 4.33Å; I230-Y331 HydrophobicContact CG2-CD1 3.78Å; I230-Y331 HydrophobicContact CG2-CE1 4.35Å; I230-F334 HydrophobicContact CD1-CB 4.39Å; I230-I338 HydrophobicContact CD1-CD1 3.73Å
231Q79.1Confident73.8Confident13 Ų1357 Ų576%0.06131%0.308CS..Hα-helixtrans-63.7-47.2179.9-68.9171.1-13.100112V227 Y228 L229 F233 L234 G235 F236 G272 F273 F275V227-Q231 WeakPolarHBondContact O-CG 3.35Å; V227-Q231 PolarHBondContact O-N 3.26Å; V227-Q231 VanDerWaalsContact O-N 3.1Å; Y228-Q231 PolarHBondContact O-N 2.89Å; L229-Q231 VanDerWaalsContact C-N 3.34Å; L229-Q231 PolarHBondContact O-N 2.98Å; Q231-F233 VanDerWaalsContact C-N 3.3Å; Q231-F233 PolarHBondContact O-N 2.86Å; Q231-L234 PolarHBondContact O-N 2.6Å; Q231-G235 PolarHBondContact O-N 3.13Å; Q231-F236 PolarHBondContact O-N 2.99Å; Q231-F236 VanDerWaalsContact O-N 3.15Å; Q231-G272 PolarHBondContact NE2-O 3.1Å; Q231-G272 PolarHBondContact OE1-O 2.9Å; Q231-F273 PolarHBondContact NE2-O 3.43Å; Q231-F275 HydrophobicContact CG-CB 4Å
232R80.7Confident70.9Confident110 Ų11054.7 Ų54.742%0.41531%0.305SS..Hα-helixtrans-59.6-42.2177.4-172.279.1-17386.5-9.2111.4Y228 L229 G235 Y237Y228-R232 VanDerWaalsContact O-CB 3.3Å; Y228-R232 WeakPolarHBondContact O-CB 3.48Å; Y228-R232 PolarHBondContact O-N 3.38Å; L229-R232 PolarHBondContact O-N 3.23Å; R232-G235 PolarHBondContact O-N 3.29Å; R232-Y237 VanDerWaalsContact CZ-OH 3.29Å; R232-Y237 PolarHBondContact NH1-OH 3.1Å; R232-Y237 PolarHBondContact NH2-OH 3.1Å
233F83.1Confident68.4Low44 Ų4455.6 Ų55.619%0.19332%0.317CS..Hα-helixtrans-69.8-39.4-178178.3-105.1000112.7Y106 W109 V110 V113 L229 I230 Q231 G235 Y331Y106-F233 HydrophobicContact CD2-CE1 4.18Å; Y106-F233 HydrophobicContact CD2-CZ 4.36Å; Y106-F233 WeakPolarHBondContact O-CZ 3.4Å; W109-F233 HydrophobicContact CB-CE2 3.87Å; W109-F233 HydrophobicContact CB-CZ 4.11Å; V110-F233 HydrophobicContact CG2-CE1 3.8Å; V110-F233 HydrophobicContact CG2-CZ 3.88Å; V113-F233 HydrophobicContact CB-CE2 4.37Å; V113-F233 HydrophobicContact CB-CZ 4.48Å; V113-F233 HydrophobicContact CG1-CD2 4.44Å; V113-F233 HydrophobicContact CG1-CG 4.35Å; V113-F233 HydrophobicContact CG2-CD2 3.79Å; V113-F233 HydrophobicContact CG2-CE2 3.56Å; V113-F233 HydrophobicContact CG2-CG 4.48Å; V113-F233 HydrophobicContact CG2-CZ 4.09Å; L229-F233 WeakPolarHBondContact O-CB 3.47Å; L229-F233 PolarHBondContact O-N 3.34Å; I230-F233 PolarHBondContact O-N 2.81Å; Q231-F233 VanDerWaalsContact C-N 3.3Å; Q231-F233 PolarHBondContact O-N 2.86Å; F233-G235 PolarHBondContact O-N 3.09Å; F233-Y331 WeakPolarHBondContact CD1-OH 3.48Å; F233-Y331 HydrophobicContact CE1-CE2 4.32Å; F233-Y331 AromaticContact CE1-CZ 3.97Å; F233-Y331 WeakPolarHBondContact CE1-OH 3.34Å
234L74.5Confident66Low16 Ų1660.9 Ų60.98%0.08434%0.342CS..THydrogen-bonded Turntrans-76.4-1.3177.2-67.1175.5000113.6I230 Q231 F236 F275 F295 Y331I230-L234 HydrophobicContact CG2-CD1 3.88Å; I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 WeakPolarHBondContact O-CG 3.5Å; I230-L234 PolarHBondContact O-N 2.71Å; Q231-L234 PolarHBondContact O-N 2.6Å; L234-F236 HydrophobicContact CB-CD2 3.78Å; L234-F236 HydrophobicContact CB-CE2 4.02Å; L234-F275 HydrophobicContact CD1-CD1 4.43Å; L234-F275 HydrophobicContact CD1-CE1 3.5Å; L234-F275 HydrophobicContact CD1-CE2 4.44Å; L234-F275 HydrophobicContact CD1-CZ 3.51Å; L234-F295 HydrophobicContact CD1-CE2 4.46Å; L234-F295 HydrophobicContact CD1-CZ 3.74Å; L234-F295 HydrophobicContact CD2-CE1 3.52Å; L234-F295 HydrophobicContact CD2-CZ 3.4Å; L234-F295 VanDerWaalsContact CD2-CZ 3.4Å; L234-F295 HydrophobicContact CG-CZ 4.18Å; L234-Y331 HydrophobicContact CD1-CD2 4.43Å; L234-Y331 HydrophobicContact CD1-CG 4.13Å; L234-Y331 HydrophobicContact CD2-CD2 4.02Å; L234-Y331 HydrophobicContact CD2-CE2 4.12Å
235G65.7Low63.8Low37 Ų3764.8 Ų64.838%0.38136%0.356SS..THydrogen-bonded Turntrans79.616.4175.600000114.4Q231 R232 F233 Y237Q231-G235 PolarHBondContact O-N 3.13Å; R232-G235 PolarHBondContact O-N 3.29Å; F233-G235 PolarHBondContact O-N 3.09Å; G235-Y237 WeakPolarHBondContact O-CD2 3.36Å; G235-Y237 PolarHBondContact O-N 2.83Å; G235-Y237 VanDerWaalsContact O-N 3.11Å
236F59.2Low61.7Low79 Ų7962.2 Ų62.235%0.34635%0.346SS..  trans-78.793.5171.9-73.9-86.3000109.3Q231 L234 F275 L294Q231-F236 PolarHBondContact O-N 2.99Å; Q231-F236 VanDerWaalsContact O-N 3.15Å; L234-F236 HydrophobicContact CB-CD2 3.78Å; L234-F236 HydrophobicContact CB-CE2 4.02Å; F236-F275 AromaticContact CD1-CD2 3.78Å; F236-F275 HydrophobicContact CD1-CD2 3.78Å; F236-F275 HydrophobicContact CD1-CE2 4.25Å; F236-F275 AromaticContact CD2-CD2 3.38Å; F236-F275 HydrophobicContact CD2-CD2 3.38Å; F236-F275 AromaticContact CD2-CE2 3.38Å; F236-F275 HydrophobicContact CD2-CE2 3.38Å; F236-F275 HydrophobicContact CD2-CG 4.25Å; F236-F275 HydrophobicContact CD2-CZ 4.22Å; F236-F275 AromaticContact CE1-CD2 3.8Å; F236-F275 HydrophobicContact CE1-CD2 3.8Å; F236-F275 AromaticContact CE1-CE2 3.9Å; F236-F275 HydrophobicContact CE1-CE2 3.9Å; F236-F275 AromaticContact CE2-CD2 3.45Å; F236-F275 HydrophobicContact CE2-CD2 3.45Å; F236-F275 VanDerWaalsContact CE2-CD2 3.45Å; F236-F275 AromaticContact CE2-CE2 2.96Å; F236-F275 HydrophobicContact CE2-CE2 2.96Å; F236-F275 AromaticContact CE2-CZ 3.83Å; F236-F275 HydrophobicContact CE2-CZ 3.83Å; F236-F275 AromaticContact CG-CD2 3.57Å; F236-F275 HydrophobicContact CG-CD2 3.57Å; F236-F275 HydrophobicContact CG-CE2 4.02Å; F236-F275 HydrophobicContact CG-CG 4.4Å; F236-F275 AromaticContact CZ-CD2 3.66Å; F236-F275 HydrophobicContact CZ-CD2 3.66Å; F236-F275 AromaticContact CZ-CE2 3.27Å; F236-F275 HydrophobicContact CZ-CE2 3.27Å; F236-F275 HydrophobicContact CZ-CZ 4.39Å; F236-L294 HydrophobicContact CE2-CD1 3.43Å; F236-L294 VanDerWaalsContact CE2-CD1 3.43Å; F236-L294 HydrophobicContact CE2-CD2 4.16Å; F236-L294 HydrophobicContact CE2-CG 4.38Å; F236-L294 HydrophobicContact CZ-CD1 3.37Å; F236-L294 HydrophobicContact CZ-CD2 3.55Å; F236-L294 HydrophobicContact CZ-CG 3.95Å
237Y51.5Low59.6Low108 Ų10866.3 Ų66.342%0.42437%0.366SS..  trans-85.8124.6163.7-63.9-89000108.1R232 G235 D239 S241R232-Y237 VanDerWaalsContact CZ-OH 3.29Å; R232-Y237 PolarHBondContact NH1-OH 3.1Å; R232-Y237 PolarHBondContact NH2-OH 3.1Å; G235-Y237 WeakPolarHBondContact O-CD2 3.36Å; G235-Y237 PolarHBondContact O-N 2.83Å; G235-Y237 VanDerWaalsContact O-N 3.11Å; Y237-D239 PolarHBondContact O-N 3.39Å; Y237-S241 WeakPolarHBondContact CD2-O 3.21Å
238A44.9Very low57.6Low74 Ų7472.7 Ų72.761%0.61240%0.395SS*.SBendtrans-64-17.3166.600000111.7
239D36.7Very low55.8Low137 Ų13769.4 Ų69.473%0.73339%0.387SS*.SBendtrans-119.194.8-175.1-53.9-36.8000110.9Y237 S241Y237-D239 PolarHBondContact O-N 3.39Å; D239-S241 VanDerWaalsContact C-N 3.25Å; D239-S241 WeakPolarHBondContact O-CB 3.44Å; D239-S241 PolarHBondContact O-N 3.13Å
240G36.5Very low53.9Low53 Ų5367.1 Ų67.155%0.54638%0.376SS..SBendtrans48.916145.300000121.4
241S31.6Very low51.9Low75 Ų7573.8 Ų73.852%0.52441%0.405SS..SBendtrans-133.4130.2-167.3-148.40000112.9Y237 D239 G243Y237-S241 WeakPolarHBondContact CD2-O 3.21Å; D239-S241 VanDerWaalsContact C-N 3.25Å; D239-S241 WeakPolarHBondContact O-CB 3.44Å; D239-S241 PolarHBondContact O-N 3.13Å; S241-G243 VanDerWaalsContact C-N 3.29Å; S241-G243 PolarHBondContact O-N 3.19Å
242A35.2Very low50.1Low55 Ų5577.9 Ų77.946%0.45543%0.433SS..SBendtrans61.5-54.8-172.900000117.2Q244 K245 S246A242-Q244 PolarHBondContact O-N 3.18Å; A242-K245 PolarHBondContact O-N 3.42Å; A242-S246 VanDerWaalsContact O-CB 3.31Å; A242-S246 WeakPolarHBondContact O-CB 3.38Å; A242-S246 PolarHBondContact O-N 3.43Å
243G41.8Very low48.1Very low34 Ų3482.4 Ų82.435%0.35145%0.451SS..Hα-helixtrans-64-43.4-176.100000113.7S241 S246 M247S241-G243 VanDerWaalsContact C-N 3.29Å; S241-G243 PolarHBondContact O-N 3.19Å; G243-S246 WeakPolarHBondContact O-CB 3.36Å; G243-S246 PolarHBondContact O-N 3.31Å; G243-S246 PolarHBondContact O-OG 3.29Å; G243-M247 PolarHBondContact O-N 2.99Å; G243-M247 VanDerWaalsContact O-N 3.09Å
244Q42.8Very low45.9Very low115 Ų11587 Ų8754%0.53747%0.473SS..Hα-helixtrans-71.8-37.9-179.1-143175.2-2.500112.5A242 S246 M247 Q248A242-Q244 PolarHBondContact O-N 3.18Å; Q244-S246 VanDerWaalsContact C-N 3.31Å; Q244-M247 PolarHBondContact O-N 3.45Å; Q244-Q248 WeakPolarHBondContact O-CG 3.37Å; Q244-Q248 PolarHBondContact O-N 3.37Å
245K44.1Very low44.2Very low146 Ų14691.4 Ų91.464%0.63550%0.501SS*.Hα-helixtrans-64.3-37.5171-78.4-174.8177.8178.60111.5V101 A242 M247 Q248 L249V101-K245 HydrophobicContact CG1-CB 4.46Å; A242-K245 PolarHBondContact O-N 3.42Å; K245-M247 VanDerWaalsContact C-N 3.31Å; K245-M247 PolarHBondContact O-N 3.07Å; K245-Q248 PolarHBondContact O-N 3.31Å; K245-L249 PolarHBondContact O-N 3.4Å
246S47.2Very low42.8Very low20 Ų2097.1 Ų97.114%0.1452%0.523CS..Hα-helixtrans-62.3-36.5175.885.20000112.7R102 A242 G243 Q244R102-S246 PolarHBondContact NE-O 3.48Å; R102-S246 PolarHBondContact NH2-O 2.88Å; R102-S246 VanDerWaalsContact NH2-O 3.16Å; A242-S246 VanDerWaalsContact O-CB 3.31Å; A242-S246 WeakPolarHBondContact O-CB 3.38Å; A242-S246 PolarHBondContact O-N 3.43Å; G243-S246 WeakPolarHBondContact O-CB 3.36Å; G243-S246 PolarHBondContact O-N 3.31Å; G243-S246 PolarHBondContact O-OG 3.29Å; Q244-S246 VanDerWaalsContact C-N 3.31Å
247M48.2Very low41.7Very low86 Ų8696.9 Ų96.942%0.42453%0.531SS..Hα-helixtrans-75.6-26177.5-79.6-171.8172.400114.2G243 Q244 K245G243-M247 PolarHBondContact O-N 2.99Å; G243-M247 VanDerWaalsContact O-N 3.09Å; Q244-M247 PolarHBondContact O-N 3.45Å; K245-M247 VanDerWaalsContact C-N 3.31Å; K245-M247 PolarHBondContact O-N 3.07Å
248Q47.5Very low40.8Very low134 Ų13496.3 Ų96.363%0.62655%0.549SS*.Hα-helixtrans-81.5-28.3-179.2-74.2-175.6-1.100113.3Q244 K245 G250 K251Q244-Q248 WeakPolarHBondContact O-CG 3.37Å; Q244-Q248 PolarHBondContact O-N 3.37Å; K245-Q248 PolarHBondContact O-N 3.31Å; Q248-G250 PolarHBondContact O-N 2.88Å; Q248-G250 VanDerWaalsContact O-N 3.13Å; Q248-K251 PolarHBondContact O-N 3.15Å
249L48.1Very low40.3Very low66 Ų6698.3 Ų98.335%0.34655%0.553SS.*THydrogen-bonded Turntrans-67.8-15-172.7-142.680.6000114.8E97 Y98 K245E97-L249 HydrophobicContact CG-CD2 3.69Å; Y98-L249 HydrophobicContact CD2-CD2 3.95Å; Y98-L249 HydrophobicContact CE2-CD2 3.94Å; K245-L249 PolarHBondContact O-N 3.4Å
250G46.9Very low39.9Very low6 Ų697.7 Ų97.76%0.06255%0.554CS.*THydrogen-bonded Turntrans-101.34.9-177.100000115E86 Q248E86-G250 WeakPolarHBondContact OE1-CA 3.29Å; Q248-G250 PolarHBondContact O-N 2.88Å; Q248-G250 VanDerWaalsContact O-N 3.13Å
251K45.2Very low39.7Very low141 Ų14199 Ų9961%0.61356%0.56SS**SBendtrans-74.7128.3171.9-78.3-171.4174.4-176.60108.9Q248 Y253Q248-K251 PolarHBondContact O-N 3.15Å; K251-Y253 PolarHBondContact O-N 2.83Å
252P40.6Very low39.7Very low99 Ų99103.1 Ų103.164%0.64357%0.573SS**  trans-56.8128.9168.424.1-31000108.2E254P252-E254 VanDerWaalsContact C-N 3.28Å; P252-E254 PolarHBondContact O-N 3.41Å
253Y39.5Very low39.3Very low205 Ų205105.3 Ų105.380%0.80459%0.585SS**  trans-64.492.2170.9-176.1-100.4000107.9K251 T255K251-Y253 PolarHBondContact O-N 2.83Å; Y253-T255 HydrophobicContact CD1-CG2 3.77Å; Y253-T255 HydrophobicContact CE1-CG2 3.46Å; Y253-T255 VanDerWaalsContact CE1-CG2 3.46Å; Y253-T255 PolarHBondContact O-N 3.24Å
254E37.1Very low38.9Very low141 Ų141110 Ų11066%0.65960%0.602SS**  trans-72.4109167.5-81.2-173.9163.400108.2P252 N256P252-E254 VanDerWaalsContact C-N 3.28Å; P252-E254 PolarHBondContact O-N 3.41Å; E254-N256 PolarHBondContact O-N 2.94Å
255T37.6Very low38.4Very low108 Ų108112.8 Ų112.866%0.66362%0.615SS**THydrogen-bonded Turntrans-61.42.7-176.220.40000116Y253Y253-T255 HydrophobicContact CD1-CG2 3.77Å; Y253-T255 HydrophobicContact CE1-CG2 3.46Å; Y253-T255 VanDerWaalsContact CE1-CG2 3.46Å; Y253-T255 PolarHBondContact O-N 3.24Å
256N36.8Very low37.8Very low157 Ų157114 Ų11484%0.8462%0.623SS**THydrogen-bonded Turntrans-150.625.8-172.5-83.9-30.1000115.9E254E254-N256 PolarHBondContact O-N 2.94Å
257S36.4Very low37.1Very low75 Ų75120.4 Ų120.452%0.52466%0.656SS.*  trans-133.4114.4172.9-77.20000110.6V259S257-V259 PolarHBondContact O-N 2.72Å
258A32.6Very low36.5Very low95 Ų95124.6 Ų124.679%0.78567%0.674SS**  trans-46.3113.4158.200000106.5T260A258-T260 PolarHBondContact O-N 3.47Å
259V35Very low35.9Very low116 Ų116125 Ų12570%0.70368%0.681SS**  trans-63.691.2174.2178.30000105.3S257 A261S257-V259 PolarHBondContact O-N 2.72Å; V259-A261 PolarHBondContact O-N 3.37Å
260T27.9Very low35.4Very low124 Ų124128.7 Ų128.776%0.76170%0.7SS**  trans-56.195.5151.4-49.40000103.4A258 M262A258-T260 PolarHBondContact O-N 3.47Å; T260-M262 VanDerWaalsContact C-N 3.28Å; T260-M262 PolarHBondContact O-N 3.35Å
261A31Very low35.2Very low81 Ų81136.6 Ų136.667%0.66974%0.735SS**  trans-51.1105.3167.200000104.7V259 S263V259-A261 PolarHBondContact O-N 3.37Å; A261-S263 PolarHBondContact O-N 3.41Å
262M32.7Very low35.3Very low161 Ų161131.7 Ų131.779%0.79373%0.725SS**  trans-54.3113.3176.6-79.317965.400106.3T260 N264T260-M262 VanDerWaalsContact C-N 3.28Å; T260-M262 PolarHBondContact O-N 3.35Å; M262-N264 PolarHBondContact O-N 2.92Å
263S26.2Very low35.8Very low102 Ų102132.5 Ų132.571%0.71372%0.718SS**  trans-57.386.7165.952.10000108.4A261 Q265A261-S263 PolarHBondContact O-N 3.41Å; S263-Q265 VanDerWaalsContact C-N 3.33Å
264N34.3Very low36.8Very low131 Ų131123.2 Ų123.270%0.70169%0.685SS**  trans-10860.1150.1-80.9-3.5000106.7M262 E266M262-N264 PolarHBondContact O-N 2.92Å; N264-E266 PolarHBondContact O-N 3.39Å
265Q30.7Very low38.2Very low174 Ų174116.9 Ų116.981%0.81366%0.656SS**  trans-90.442.7169.6-165.2173.8-8.400109.2S263S263-Q265 VanDerWaalsContact C-N 3.33Å
266E31.7Very low39.6Very low173 Ų173111.7 Ų111.781%0.80862%0.624SS**SBendtrans-130.392178.5-69.4-171.1159.600108.5N264N264-E266 PolarHBondContact O-N 3.39Å
267N33.2Very low41Very low154 Ų154108.3 Ų108.382%0.82461%0.605SS**SBendtrans94.832.9167-47.5-56.2000119.6
268E36.2Very low42.5Very low173 Ų173107.9 Ų107.981%0.80860%0.599SS**  trans-93.72.6165.2-70.4-163.8146.500114L270E268-L270 PolarHBondContact O-N 3Å
269D34.2Very low44.2Very low143 Ų143103.7 Ų103.777%0.76556%0.564SS**  trans-90.520.7-174.3-56.9-29.6000114.9E271D269-E271 VanDerWaalsContact C-N 3.28Å; D269-E271 PolarHBondContact O-N 3.44Å; D269-E271 VanDerWaalsContact O-N 3.17Å
270L36.6Very low45.8Very low143 Ų14399.4 Ų99.475%0.74954%0.541SS*.SBendtrans-90.271.8169.5-154.577.1000110.5E268 G272E268-L270 PolarHBondContact O-N 3Å; L270-G272 PolarHBondContact O-N 3.33Å
271E43.6Very low47.8Very low172 Ų17298 Ų9880%0.80453%0.529SS*.THydrogen-bonded Turntrans6.591.7161.4-64.2-174.8158.100115.3D269 F273D269-E271 VanDerWaalsContact C-N 3.28Å; D269-E271 PolarHBondContact O-N 3.44Å; D269-E271 VanDerWaalsContact O-N 3.17Å; E271-F273 PolarHBondContact O-N 3.36Å
272G47.8Very low49.6Very low38 Ų3897 Ų9739%0.39251%0.51SS..THydrogen-bonded Turntrans58.2-40.5154.200000120.2Q231 L270 G274Q231-G272 PolarHBondContact NE2-O 3.1Å; Q231-G272 PolarHBondContact OE1-O 2.9Å; L270-G272 PolarHBondContact O-N 3.33Å; G272-G274 VanDerWaalsContact C-N 3.3Å; G272-G274 PolarHBondContact O-N 2.7Å
273F51.3Low51.4Low116 Ų11692.4 Ų92.451%0.50949%0.488SS..THydrogen-bonded Turntrans-71.5-20.4-175.8-92-88.3000113.7I224 V227 Q231 E271 F275 W335I224-F273 HydrophobicContact CG2-CE1 4.25Å; I224-F273 HydrophobicContact CG2-CZ 3.84Å; V227-F273 HydrophobicContact CG1-CD1 4.23Å; V227-F273 HydrophobicContact CG1-CE1 4.32Å; Q231-F273 PolarHBondContact NE2-O 3.43Å; E271-F273 PolarHBondContact O-N 3.36Å; F273-F275 VanDerWaalsContact C-N 3.35Å; F273-F275 PolarHBondContact O-N 3.17Å; F273-W335 VanDerWaalsContact O-CZ2 3.31Å; F273-W335 WeakPolarHBondContact O-CZ2 3.45Å; F273-W335 PolarHBondContact O-NE1 3.01Å
274G60.3Low53.8Low11 Ų1198 Ų9811%0.11349%0.494CS..THydrogen-bonded Turntrans-78.13.2-170.900000117.3G272 G276 L277 T278G272-G274 VanDerWaalsContact C-N 3.3Å; G272-G274 PolarHBondContact O-N 2.7Å; G274-G276 PolarHBondContact O-N 2.99Å; G274-L277 CarbonylContact O-C 3.59Å; G274-L277 WeakPolarHBondContact O-CA 3.33Å; G274-L277 VanDerWaalsContact O-CB 3.28Å; G274-L277 WeakPolarHBondContact O-CB 3.1Å; G274-L277 PolarHBondContact O-N 3.18Å; G274-T278 PolarHBondContact O-N 3.43Å; G274-T278 PolarHBondContact O-OG1 3.37Å
275F66.6Low55.8Low7 Ų794.7 Ų94.73%0.03149%0.485CS..Hα-helixtrans-46.9-50.8-173.3164.3-105000114.6Q231 L234 F236 F273 L277 T278 V279 L294 F295Q231-F275 HydrophobicContact CG-CB 4Å; L234-F275 HydrophobicContact CD1-CD1 4.43Å; L234-F275 HydrophobicContact CD1-CE1 3.5Å; L234-F275 HydrophobicContact CD1-CE2 4.44Å; L234-F275 HydrophobicContact CD1-CZ 3.51Å; F236-F275 AromaticContact CD1-CD2 3.78Å; F236-F275 HydrophobicContact CD1-CD2 3.78Å; F236-F275 HydrophobicContact CD1-CE2 4.25Å; F236-F275 AromaticContact CD2-CD2 3.38Å; F236-F275 HydrophobicContact CD2-CD2 3.38Å; F236-F275 AromaticContact CD2-CE2 3.38Å; F236-F275 HydrophobicContact CD2-CE2 3.38Å; F236-F275 HydrophobicContact CD2-CG 4.25Å; F236-F275 HydrophobicContact CD2-CZ 4.22Å; F236-F275 AromaticContact CE1-CD2 3.8Å; F236-F275 HydrophobicContact CE1-CD2 3.8Å; F236-F275 AromaticContact CE1-CE2 3.9Å; F236-F275 HydrophobicContact CE1-CE2 3.9Å; F236-F275 AromaticContact CE2-CD2 3.45Å; F236-F275 HydrophobicContact CE2-CD2 3.45Å; F236-F275 VanDerWaalsContact CE2-CD2 3.45Å; F236-F275 AromaticContact CE2-CE2 2.96Å; F236-F275 HydrophobicContact CE2-CE2 2.96Å; F236-F275 AromaticContact CE2-CZ 3.83Å; F236-F275 HydrophobicContact CE2-CZ 3.83Å; F236-F275 AromaticContact CG-CD2 3.57Å; F236-F275 HydrophobicContact CG-CD2 3.57Å; F236-F275 HydrophobicContact CG-CE2 4.02Å; F236-F275 HydrophobicContact CG-CG 4.4Å; F236-F275 AromaticContact CZ-CD2 3.66Å; F236-F275 HydrophobicContact CZ-CD2 3.66Å; F236-F275 AromaticContact CZ-CE2 3.27Å; F236-F275 HydrophobicContact CZ-CE2 3.27Å; F236-F275 HydrophobicContact CZ-CZ 4.39Å; F273-F275 VanDerWaalsContact C-N 3.35Å; F273-F275 PolarHBondContact O-N 3.17Å; F275-L277 VanDerWaalsContact C-N 3.3Å; F275-L277 PolarHBondContact O-N 3.43Å; F275-T278 WeakPolarHBondContact CA-OG1 3.39Å; F275-T278 PolarHBondContact O-N 3.28Å; F275-T278 PolarHBondContact O-OG1 3.01Å; F275-V279 HydrophobicContact CD2-CG2 3.73Å; F275-V279 HydrophobicContact CE1-CG2 4.44Å; F275-V279 HydrophobicContact CE2-CB 4.36Å; F275-V279 HydrophobicContact CE2-CG2 3.14Å; F275-V279 HydrophobicContact CZ-CB 4.48Å; F275-V279 HydrophobicContact CZ-CG2 3.58Å; F275-V279 WeakPolarHBondContact O-CB 3.47Å; F275-V279 WeakPolarHBondContact O-CG2 3.48Å; F275-V279 PolarHBondContact O-N 2.89Å; F275-L294 HydrophobicContact CE2-CD2 4.03Å; F275-L294 HydrophobicContact CZ-CD2 4.5Å; F275-F295 HydrophobicContact CZ-CE2 4.29Å
276G66.3Low57.9Low0 Ų089 Ų890%047%0.472CS..Hα-helixtrans-70.6-29.1-178.800000112.9G274 A280 W335G274-G276 PolarHBondContact O-N 2.99Å; G276-A280 WeakPolarHBondContact O-CB 3.42Å; G276-A280 PolarHBondContact O-N 3.48Å; G276-W335 VanDerWaalsContact N-CE2 3.31Å
277L66.9Low59.6Low86 Ų8686.5 Ų86.545%0.4546%0.456SS..Hα-helixtrans-67.4-44.4170.8-99.1153.9000111.4G274 F275 A280 N281 W335G274-L277 CarbonylContact O-C 3.59Å; G274-L277 WeakPolarHBondContact O-CA 3.33Å; G274-L277 VanDerWaalsContact O-CB 3.28Å; G274-L277 WeakPolarHBondContact O-CB 3.1Å; G274-L277 PolarHBondContact O-N 3.18Å; F275-L277 VanDerWaalsContact C-N 3.3Å; F275-L277 PolarHBondContact O-N 3.43Å; L277-A280 PolarHBondContact O-N 3.29Å; L277-N281 WeakPolarHBondContact O-CB 3.36Å; L277-N281 PolarHBondContact O-N 2.83Å; L277-N281 PolarHBondContact O-ND2 3.45Å; L277-W335 HydrophobicContact CB-CH2 4.01Å; L277-W335 HydrophobicContact CD1-CH2 3.69Å; L277-W335 HydrophobicContact CD1-CZ2 4.47Å; L277-W335 HydrophobicContact CG-CH2 3.7Å; L277-W335 HydrophobicContact CG-CZ3 4.23Å
278T66.9Low61.4Low65 Ų6583.3 Ų83.340%0.39944%0.439SS..Hα-helixtrans-64.7-47.2178.159.10000110.4G274 F275 N281 H282G274-T278 PolarHBondContact O-N 3.43Å; G274-T278 PolarHBondContact O-OG1 3.37Å; F275-T278 WeakPolarHBondContact CA-OG1 3.39Å; F275-T278 PolarHBondContact O-N 3.28Å; F275-T278 PolarHBondContact O-OG1 3.01Å; T278-N281 PolarHBondContact O-N 2.97Å; T278-H282 PolarHBondContact O-CD2 3.4Å; T278-H282 PolarHBondContact O-N 3.43Å
279V68Low62.9Low7 Ų777.6 Ų77.64%0.04241%0.41CS..Hα-helixtrans-62.9-44.9176174.20000112.1F275 N281 H282 I283 L294 I332F275-V279 HydrophobicContact CD2-CG2 3.73Å; F275-V279 HydrophobicContact CE1-CG2 4.44Å; F275-V279 HydrophobicContact CE2-CB 4.36Å; F275-V279 HydrophobicContact CE2-CG2 3.14Å; F275-V279 HydrophobicContact CZ-CB 4.48Å; F275-V279 HydrophobicContact CZ-CG2 3.58Å; F275-V279 WeakPolarHBondContact O-CB 3.47Å; F275-V279 WeakPolarHBondContact O-CG2 3.48Å; F275-V279 PolarHBondContact O-N 2.89Å; V279-N281 VanDerWaalsContact C-N 3.28Å; V279-N281 PolarHBondContact O-N 2.89Å; V279-H282 PolarHBondContact O-N 2.94Å; V279-I283 HydrophobicContact CG1-CD1 3.76Å; V279-I283 HydrophobicContact CG1-CG1 4.41Å; V279-I283 VanDerWaalsContact O-CG1 3.3Å; V279-I283 WeakPolarHBondContact O-CG1 3.19Å; V279-I283 PolarHBondContact O-N 3.33Å; V279-L294 HydrophobicContact CB-CD2 4.49Å; V279-L294 HydrophobicContact CG1-CD2 4.31Å; V279-L294 HydrophobicContact CG2-CD2 3.36Å; V279-I332 HydrophobicContact CG1-CD1 3.85Å; V279-I332 HydrophobicContact CG1-CG1 4.09Å
280A69.1Low64.4Low27 Ų2772.6 Ų72.622%0.22339%0.385CS..Hα-helixtrans-62.6-37.7176.600000111.7G276 L277 I283 R284 F336G276-A280 WeakPolarHBondContact O-CB 3.42Å; G276-A280 PolarHBondContact O-N 3.48Å; L277-A280 PolarHBondContact O-N 3.29Å; A280-I283 PolarHBondContact O-N 3.01Å; A280-R284 VanDerWaalsContact O-CB 3.23Å; A280-R284 WeakPolarHBondContact O-CB 3.38Å; A280-R284 PolarHBondContact O-N 3.17Å; A280-F336 HydrophobicContact CB-CE2 4.07Å; A280-F336 HydrophobicContact CB-CZ 3.77Å
281N69.7Low65.6Low93 Ų9371.3 Ų71.350%0.49738%0.375SS..Hα-helixtrans-67.7-39.8175.1-75.5-17.9000111.9L277 T278 V279 R284 A285L277-N281 WeakPolarHBondContact O-CB 3.36Å; L277-N281 PolarHBondContact O-N 2.83Å; L277-N281 PolarHBondContact O-ND2 3.45Å; T278-N281 PolarHBondContact O-N 2.97Å; V279-N281 VanDerWaalsContact C-N 3.28Å; V279-N281 PolarHBondContact O-N 2.89Å; N281-R284 PolarHBondContact O-N 2.82Å; N281-A285 VanDerWaalsContact O-CB 3.26Å; N281-A285 WeakPolarHBondContact O-CB 3.46Å; N281-A285 PolarHBondContact O-N 3.45Å
282H68.4Low66.8Low61 Ų6164.5 Ų64.528%0.28235%0.346SS..Hα-helixtrans-62.3-45.7173.9-75-62.8000111.8T278 V279 R284 A285 G286 R287 T292T278-H282 PolarHBondContact O-CD2 3.4Å; T278-H282 PolarHBondContact O-N 3.43Å; V279-H282 PolarHBondContact O-N 2.94Å; H282-R284 PolarHBondContact O-N 3.21Å; H282-A285 CarbonylContact O-C 3.57Å; H282-A285 PolarHBondContact O-N 3Å; H282-G286 PolarHBondContact O-N 2.96Å; H282-R287 PolarHBondContact O-N 3.33Å; H282-T292 HydrophobicContact CB-CG2 4.41Å
283I70.7Confident67.9Low65 Ų6563.9 Ų63.933%0.33333%0.333SS..Hα-helixtrans-63.4-42.6176.5-66.6168.4000110.7V279 A280 A285 G286 I332V279-I283 HydrophobicContact CG1-CD1 3.76Å; V279-I283 HydrophobicContact CG1-CG1 4.41Å; V279-I283 VanDerWaalsContact O-CG1 3.3Å; V279-I283 WeakPolarHBondContact O-CG1 3.19Å; V279-I283 PolarHBondContact O-N 3.33Å; A280-I283 PolarHBondContact O-N 3.01Å; I283-A285 VanDerWaalsContact C-N 3.29Å; I283-A285 PolarHBondContact O-N 3.44Å; I283-G286 PolarHBondContact O-N 3.19Å; I283-I332 HydrophobicContact CD1-CD1 3.46Å; I283-I332 VanDerWaalsContact CD1-CD1 3.46Å
284R77.1Confident68.7Low218 Ų21860 Ų6082%0.82332%0.317SS*.Hα-helixtrans-64.7-34.2176.9-173.6-178.9178.985.82.6112.2A280 N281 H282 G286A280-R284 VanDerWaalsContact O-CB 3.23Å; A280-R284 WeakPolarHBondContact O-CB 3.38Å; A280-R284 PolarHBondContact O-N 3.17Å; N281-R284 PolarHBondContact O-N 2.82Å; H282-R284 PolarHBondContact O-N 3.21Å; R284-G286 PolarHBondContact O-N 2.89Å
285A76.5Confident69.6Low62 Ų6259.6 Ų59.651%0.51231%0.312SS..THydrogen-bonded Turntrans-76.4-1.3175.100000113.3N281 H282 I283 R287N281-A285 VanDerWaalsContact O-CB 3.26Å; N281-A285 WeakPolarHBondContact O-CB 3.46Å; N281-A285 PolarHBondContact O-N 3.45Å; H282-A285 CarbonylContact O-C 3.57Å; H282-A285 PolarHBondContact O-N 3Å; I283-A285 VanDerWaalsContact C-N 3.29Å; I283-A285 PolarHBondContact O-N 3.44Å; A285-R287 VanDerWaalsContact C-N 3.27Å; A285-R287 PolarHBondContact O-N 3.31Å
286G74Confident70.6Confident54 Ų5459.3 Ų59.356%0.55731%0.311SS*.THydrogen-bonded Turntrans74.114.3-178.100000114.2H282 I283 R284 D288H282-G286 PolarHBondContact O-N 2.96Å; I283-G286 PolarHBondContact O-N 3.19Å; R284-G286 PolarHBondContact O-N 2.89Å; G286-D288 PolarHBondContact O-N 3.08Å
287R67.8Low71.6Confident122 Ų12262.9 Ų62.946%0.4633%0.325SS..  trans-88.297.2176.4-68.1-166.8-94.9171.7-8.5109.7H282 A285 E291H282-R287 PolarHBondContact O-N 3.33Å; A285-R287 VanDerWaalsContact C-N 3.27Å; A285-R287 PolarHBondContact O-N 3.31Å; R287-E291 VanDerWaalsContact CD-OE2 3.31Å; R287-E291 WeakPolarHBondContact CD-OE2 3.33Å; R287-E291 WeakPolarHBondContact CG-OE2 3.23Å
288D70.4Confident72.8Confident86 Ų8660.9 Ų60.946%0.4632%0.316SS..  trans-79178.4-178.8-77.1-37.9000113.1G286 P290 E291 T292G286-D288 PolarHBondContact O-N 3.08Å; D288-P290 VanDerWaalsContact C-N 3.29Å; D288-P290 WeakPolarHBondContact O-CD 3.36Å; D288-P290 VanDerWaalsContact O-N 3.16Å; D288-E291 PolarHBondContact O-N 2.88Å; D288-T292 PolarHBondContact O-N 3.4Å; D288-T292 PolarHBondContact O-OG1 2.93Å
289W69.5Low73.9Confident53 Ų5357.8 Ų57.820%0.20130%0.297CS..Hα-helixtrans-50.6-29177.571.1-89.3000116.5E291 T292 I293 L294 P296 R297 V298W289-E291 PolarHBondContact O-N 3.46Å; W289-T292 WeakPolarHBondContact CA-OG1 3.41Å; W289-I293 VanDerWaalsContact O-CA 3.31Å; W289-I293 WeakPolarHBondContact O-CA 3.41Å; W289-I293 PolarHBondContact O-N 3.45Å; W289-L294 VanDerWaalsContact CB-O 3.23Å; W289-L294 WeakPolarHBondContact CB-O 3.21Å; W289-P296 HydrophobicContact CE3-CB 3.97Å; W289-P296 HydrophobicContact CZ3-CB 4.36Å; W289-R297 HydrophobicContact CD2-CB 4.38Å; W289-R297 HydrophobicContact CD2-CG 4.45Å; W289-R297 HydrophobicContact CG-CG 4.29Å; W289-R297 HydrophobicContact CZ2-CB 4.12Å; W289-V298 HydrophobicContact CH2-CB 3.73Å; W289-V298 HydrophobicContact CH2-CG2 3.95Å; W289-V298 HydrophobicContact CZ2-CB 4.37Å; W289-V298 HydrophobicContact CZ2-CG2 4.12Å; W289-V298 HydrophobicContact CZ3-CB 4.42Å
290P64.8Low75.1Confident38 Ų3860.4 Ų60.425%0.24731%0.306CS..Hα-helixtrans-63.1-30.6179.8-22.634.8000113P84 D288P84-P290 HydrophobicContact CG-CB 3.94Å; D288-P290 VanDerWaalsContact C-N 3.29Å; D288-P290 WeakPolarHBondContact O-CD 3.36Å; D288-P290 VanDerWaalsContact O-N 3.16Å
291E62.8Low76.3Confident116 Ų11659.2 Ų59.254%0.54230%0.297SS..Hα-helixtrans-88.9-42.9179-64.2-177.6-176.400111.5R287 D288 W289R287-E291 VanDerWaalsContact CD-OE2 3.31Å; R287-E291 WeakPolarHBondContact CD-OE2 3.33Å; R287-E291 WeakPolarHBondContact CG-OE2 3.23Å; D288-E291 PolarHBondContact O-N 2.88Å; W289-E291 PolarHBondContact O-N 3.46Å
292T67.9Low77.3Confident30 Ų3057.5 Ų57.518%0.18428%0.283CS..Hα-helixtrans-79.6-21.6-174.558.10000112.8H282 D288 W289 L294H282-T292 HydrophobicContact CB-CG2 4.41Å; D288-T292 PolarHBondContact O-N 3.4Å; D288-T292 PolarHBondContact O-OG1 2.93Å; W289-T292 WeakPolarHBondContact CA-OG1 3.41Å; T292-L294 PolarHBondContact O-N 3.17Å; T292-L294 PolarHBondContact OG1-N 3.42Å
293I70.2Confident78.3Confident25 Ų2554.7 Ų54.713%0.12827%0.27CS..  trans584.6-168.3-60.4163.1000112.1P81 R83 W289 P296P81-I293 HydrophobicContact CB-CG2 4.06Å; P81-I293 HydrophobicContact CG-CG2 3.64Å; R83-I293 HydrophobicContact CG-CD1 3.86Å; R83-I293 HydrophobicContact CG-CG1 4.13Å; W289-I293 VanDerWaalsContact O-CA 3.31Å; W289-I293 WeakPolarHBondContact O-CA 3.41Å; W289-I293 PolarHBondContact O-N 3.45Å; I293-P296 WeakPolarHBondContact O-CD 3.48Å
294L68.6Low79.1Confident33 Ų3354.8 Ų54.817%0.17328%0.275CS..SBendtrans-84.5129.4179.7179.560.7000109.3F236 F275 V279 W289 T292F236-L294 HydrophobicContact CE2-CD1 3.43Å; F236-L294 VanDerWaalsContact CE2-CD1 3.43Å; F236-L294 HydrophobicContact CE2-CD2 4.16Å; F236-L294 HydrophobicContact CE2-CG 4.38Å; F236-L294 HydrophobicContact CZ-CD1 3.37Å; F236-L294 HydrophobicContact CZ-CD2 3.55Å; F236-L294 HydrophobicContact CZ-CG 3.95Å; F275-L294 HydrophobicContact CE2-CD2 4.03Å; F275-L294 HydrophobicContact CZ-CD2 4.5Å; V279-L294 HydrophobicContact CB-CD2 4.49Å; V279-L294 HydrophobicContact CG1-CD2 4.31Å; V279-L294 HydrophobicContact CG2-CD2 3.36Å; W289-L294 VanDerWaalsContact CB-O 3.23Å; W289-L294 WeakPolarHBondContact CB-O 3.21Å; T292-L294 PolarHBondContact O-N 3.17Å; T292-L294 PolarHBondContact OG1-N 3.42Å
295F80Confident79.2Confident3 Ų346.2 Ų46.21%0.01325%0.254CS..SBendtrans5061.3-174.8-60.3-72.3000113.3Y106 L234 F275 R297 N324 N327 E328 Y331Y106-F295 HydrophobicContact CE2-CD1 4.48Å; Y106-F295 HydrophobicContact CE2-CE1 4.33Å; Y106-F295 WeakPolarHBondContact OH-CD1 3.26Å; L234-F295 HydrophobicContact CD1-CE2 4.46Å; L234-F295 HydrophobicContact CD1-CZ 3.74Å; L234-F295 HydrophobicContact CD2-CE1 3.52Å; L234-F295 HydrophobicContact CD2-CZ 3.4Å; L234-F295 VanDerWaalsContact CD2-CZ 3.4Å; L234-F295 HydrophobicContact CG-CZ 4.18Å; F275-F295 HydrophobicContact CZ-CE2 4.29Å; F295-R297 PolarHBondContact O-N 2.97Å; F295-N324 WeakPolarHBondContact CA-ND2 3.23Å; F295-N324 WeakPolarHBondContact CD1-OD1 3.35Å; F295-N327 HydrophobicContact CE1-CB 4.32Å; F295-E328 HydrophobicContact CB-CB 4.13Å; F295-E328 HydrophobicContact CB-CG 4.28Å; F295-E328 HydrophobicContact CD1-CB 4.37Å; F295-E328 HydrophobicContact CD2-CB 4Å; F295-E328 HydrophobicContact CD2-CG 3.82Å; F295-E328 HydrophobicContact CE2-CG 4.43Å; F295-E328 HydrophobicContact CG-CB 3.94Å; F295-E328 HydrophobicContact CG-CG 4.17Å; F295-Y331 HydrophobicContact CE1-CD2 4.31Å; F295-Y331 HydrophobicContact CZ-CD2 4.28Å
296P86.7Confident79.3Confident2 Ų244.7 Ų44.71%0.01324%0.237CC..  trans-64.2136.5-17828.2-34.7000111.8P81 I104 W289 I293 N324P81-P296 HydrophobicContact CB-CB 3.76Å; P81-P296 HydrophobicContact CB-CG 3.84Å; P81-P296 HydrophobicContact CG-CG 4.26Å; I104-P296 HydrophobicContact CD1-CG 3.61Å; W289-P296 HydrophobicContact CE3-CB 3.97Å; W289-P296 HydrophobicContact CZ3-CB 4.36Å; I293-P296 WeakPolarHBondContact O-CD 3.48Å; P296-N324 VanDerWaalsContact CD-ND2 3.3Å; P296-N324 WeakPolarHBondContact CD-ND2 3.46Å; P296-N324 VanDerWaalsContact N-ND2 3.1Å; P296-N324 PolarHBondContact O-ND2 3.19Å
297R88.7Confident79.3Confident75 Ų7552 Ų5228%0.28325%0.248SC..SBendtrans-93.7-18.8176.9-59.3-177.4-171.8158.96.9112.5W289 F295 A320 L321 E328W289-R297 HydrophobicContact CD2-CB 4.38Å; W289-R297 HydrophobicContact CD2-CG 4.45Å; W289-R297 HydrophobicContact CG-CG 4.29Å; W289-R297 HydrophobicContact CZ2-CB 4.12Å; F295-R297 PolarHBondContact O-N 2.97Å; R297-A320 CarbonylContact O-C 3.56Å; R297-A320 WeakPolarHBondContact O-CA 3.28Å; R297-L321 PolarHBondContact O-N 3.48Å; R297-E328 IonicContact CZ-OE2 3.75Å; R297-E328 IonicContact NE-OE2 2.87Å; R297-E328 IonicContact NH2-OE2 3.94Å; R297-E328 PolarHBondContact NH2-OE2 2.92Å
298V90.9Very high79.4Confident43 Ų4349.3 Ų49.326%0.26124%0.243SC..EExtended strand (participates in β ladder)trans-127.5131.8174.4-177.70000108.1W289 Q318 C319W289-V298 HydrophobicContact CH2-CB 3.73Å; W289-V298 HydrophobicContact CH2-CG2 3.95Å; W289-V298 HydrophobicContact CZ2-CB 4.37Å; W289-V298 HydrophobicContact CZ2-CG2 4.12Å; W289-V298 HydrophobicContact CZ3-CB 4.42Å; V298-Q318 HydrophobicContact CG1-CG 3.79Å; V298-C319 WeakPolarHBondContact CA-O 3.43Å
299A91.2Very high79.4Confident0 Ų053 Ų530%027%0.268CS..EExtended strand (participates in β ladder)trans-145.4162.2176.700000110.3T79 C319 L321T79-A299 HydrophobicContact CG2-CB 4.42Å; A299-C319 PolarHBondContact N-O 3.08Å; A299-C319 PolarHBondContact O-N 3.02Å; A299-L321 HydrophobicContact CB-CD1 3.79Å
300Y92.5Very high79.3Confident62 Ų6254.7 Ų54.724%0.24330%0.301CS..EExtended strand (participates in β ladder)trans-106.7149.2-177.6-61.8-92.4000110.5I80 L82 L88 A317 Q318I80-Y300 PolarHBondContact N-O 2.93Å; I80-Y300 PolarHBondContact O-N 3.33Å; L82-Y300 HydrophobicContact CB-CD2 3.96Å; L82-Y300 HydrophobicContact CB-CE2 3.8Å; L82-Y300 HydrophobicContact CD1-CD2 3.46Å; L82-Y300 VanDerWaalsContact CD1-CD2 3.46Å; L82-Y300 HydrophobicContact CD1-CE2 3.73Å; L82-Y300 HydrophobicContact CD1-CG 4Å; L82-Y300 HydrophobicContact CG-CD2 3.66Å; L82-Y300 HydrophobicContact CG-CE2 3.99Å; L88-Y300 HydrophobicContact CD1-CD1 3.89Å; L88-Y300 HydrophobicContact CD1-CE1 4.23Å; L88-Y300 HydrophobicContact CD1-CG 4.14Å; Y300-A317 WeakPolarHBondContact CA-O 3.28Å; Y300-Q318 HydrophobicContact CD1-CB 4.31Å; Y300-Q318 HydrophobicContact CD1-CG 4.48Å; Y300-Q318 HydrophobicContact CE1-CB 4.15Å; Y300-Q318 HydrophobicContact CE1-CG 4.03Å
301C93.1Very high79.7Confident3 Ų355.1 Ų55.12%0.0231%0.308CS..EExtended strand (participates in β ladder)trans-134.6128.2178.8171.60000108.8C74 T316 A317C74-C301 WeakPolarHBondContact CA-SG 3.42Å; C74-C301 HydrophobicContact CB-CB 3.7Å; C74-C301 WeakPolarHBondContact CB-SG 3.45Å; C74-C301 WeakPolarHBondContact SG-CB 3.38Å; C74-C301 CovalentContact SG-SG 2.04Å; C74-C301 PolarHBondContact SG-SG 3.28Å; C301-T316 CarbonylContact O-C 3.58Å; C301-T316 WeakPolarHBondContact O-CA 3.35Å; C301-A317 PolarHBondContact N-O 3.23Å; C301-A317 PolarHBondContact O-N 3.13Å
302R91.3Very high80.5Confident57 Ų5755.8 Ų55.822%0.21531%0.311CS..EExtended strand (participates in β ladder)trans-104.6124.3174.1178.9174.9173.5151.72.8108.8W95 P304 Y315 T316W95-R302 HydrophobicContact CD2-CB 4.02Å; W95-R302 VanDerWaalsContact CD2-CD 3.45Å; W95-R302 HydrophobicContact CD2-CG 4.32Å; W95-R302 HydrophobicContact CE3-CB 3.75Å; W95-R302 HydrophobicContact CH2-CB 4.31Å; W95-R302 HydrophobicContact CZ3-CB 3.91Å; R302-P304 VanDerWaalsContact O-CD 3.27Å; R302-P304 WeakPolarHBondContact O-CD 3.28Å; R302-Y315 WeakPolarHBondContact CA-O 3.46Å; R302-T316 HydrophobicContact CB-CG2 4.2Å; R302-T316 HydrophobicContact CG-CG2 4.2Å
303V90.2Very high81.2Confident1 Ų157.5 Ų57.51%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-103.399.9172.7-171.40000108.4Y69 L70 Y73 I306 A314 Y315Y69-V303 HydrophobicContact CE1-CG1 4.3Å; L70-V303 HydrophobicContact CD1-CG2 3.42Å; L70-V303 VanDerWaalsContact CD1-CG2 3.42Å; Y73-V303 HydrophobicContact CD1-CB 4.29Å; Y73-V303 HydrophobicContact CD1-CG1 4.09Å; Y73-V303 HydrophobicContact CD1-CG2 3.55Å; Y73-V303 HydrophobicContact CD2-CG1 4.49Å; Y73-V303 HydrophobicContact CE1-CB 4.19Å; Y73-V303 HydrophobicContact CE1-CG1 4.01Å; Y73-V303 HydrophobicContact CE1-CG2 3.84Å; Y73-V303 HydrophobicContact CE2-CG1 4.43Å; Y73-V303 HydrophobicContact CG-CG1 4.32Å; Y73-V303 HydrophobicContact CG-CG2 4.29Å; V303-I306 HydrophobicContact CB-CD1 4.19Å; V303-I306 HydrophobicContact CG1-CD1 3.71Å; V303-I306 HydrophobicContact CG1-CG1 4.12Å; V303-A314 WeakPolarHBondContact O-CA 3.19Å; V303-Y315 PolarHBondContact N-O 3.19Å; V303-Y315 PolarHBondContact O-N 3.03Å
304P86.2Confident82Confident68 Ų6858.5 Ų58.544%0.44233%0.331SS..EExtended strand (participates in β ladder)trans-78153.6176.432.4-34.8000111.8R302R302-P304 VanDerWaalsContact O-CD 3.27Å; R302-P304 WeakPolarHBondContact O-CD 3.28Å
305G79.3Confident83Confident37 Ų3758.6 Ų58.638%0.38133%0.33SS..EExtended strand (participates in β ladder)trans7529.3160.300000115.8R307 N313G305-R307 PolarHBondContact O-N 2.92Å; G305-N313 PolarHBondContact N-O 3.5Å
306I79.1Confident83.5Confident30 Ų3061 Ų6115%0.15434%0.344CS..EExtended strand (participates in β ladder)trans-70.5104.4168.2-70.5156.5000107.3F66 V303 L308 N313 Y315F66-I306 HydrophobicContact CE2-CD1 3.47Å; F66-I306 VanDerWaalsContact CE2-CD1 3.47Å; F66-I306 HydrophobicContact CE2-CG1 4.46Å; F66-I306 HydrophobicContact CZ-CD1 3.67Å; V303-I306 HydrophobicContact CB-CD1 4.19Å; V303-I306 HydrophobicContact CG1-CD1 3.71Å; V303-I306 HydrophobicContact CG1-CG1 4.12Å; I306-L308 HydrophobicContact CG2-CD1 4.18Å; I306-L308 HydrophobicContact CG2-CG 4.33Å; I306-L308 PolarHBondContact O-N 3.32Å; I306-N313 PolarHBondContact N-O 2.94Å; I306-Y315 HydrophobicContact CB-CD2 4.3Å; I306-Y315 HydrophobicContact CB-CE2 4.14Å; I306-Y315 HydrophobicContact CD1-CD2 3.43Å; I306-Y315 VanDerWaalsContact CD1-CD2 3.43Å; I306-Y315 HydrophobicContact CD1-CE2 3.97Å; I306-Y315 HydrophobicContact CD1-CG 4.34Å; I306-Y315 HydrophobicContact CG1-CD2 4.42Å; I306-Y315 HydrophobicContact CG2-CE2 4.24Å
307R73.7Confident83.8Confident209 Ų20960.9 Ų60.979%0.78934%0.344SS*.EExtended strand (participates in β ladder)trans-76.792-177.7-66.9-177.3175.1172.50.8109.9G305 E312G305-R307 PolarHBondContact O-N 2.92Å; R307-E312 IonicContact NE-OE1 3.93Å
308L71.4Confident84.1Confident65 Ų6561.4 Ų61.434%0.3435%0.349SS..EExtended strand (participates in β ladder)trans-90144.4160.4-69.2144000106.9P61 I306 G310 A311 Y315P61-L308 HydrophobicContact CB-CD1 4.32Å; I306-L308 HydrophobicContact CG2-CD1 4.18Å; I306-L308 HydrophobicContact CG2-CG 4.33Å; I306-L308 PolarHBondContact O-N 3.32Å; L308-G310 PolarHBondContact O-N 3.38Å; L308-A311 PolarHBondContact O-N 3.41Å; L308-Y315 HydrophobicContact CD1-CE2 4.49Å; L308-Y315 WeakPolarHBondContact CD1-OH 3.49Å
309V69.9Low84.3Confident164 Ų16459.4 Ų59.499%0.99434%0.337SS*.THydrogen-bonded Turntrans-46.7112.5-171.1-179.80000111.3
310G67.3Low84.3Confident87 Ų8761.4 Ų61.490%0.89735%0.354SS*.THydrogen-bonded Turntrans89-5.5174.200000117.6L308L308-G310 PolarHBondContact O-N 3.38Å
311A73.8Confident84.3Confident47 Ų4758.6 Ų58.639%0.38834%0.343SS..EExtended strand (participates in β ladder)trans-144.3134.5178.500000112.8L308 N313L308-A311 PolarHBondContact O-N 3.41Å; A311-N313 PolarHBondContact O-N 3.49Å
312E79.2Confident84.1Confident130 Ų13061 Ų6161%0.60736%0.359SS*.EExtended strand (participates in β ladder)trans-89102.1169-67.7-166.9159.500109.5R307R307-E312 IonicContact NE-OE1 3.93Å
313N83.1Confident84Confident67 Ų6758.3 Ų58.336%0.35835%0.349SS..EExtended strand (participates in β ladder)trans-94.8140.8176.6-67.1-27.5000110.4G305 I306 A311 Y315G305-N313 PolarHBondContact N-O 3.5Å; I306-N313 PolarHBondContact N-O 2.94Å; A311-N313 PolarHBondContact O-N 3.49Å; N313-Y315 HydrophobicContact CB-CD2 4.44Å; N313-Y315 HydrophobicContact CB-CE2 3.76Å
314A86.9Confident83.9Confident46 Ų4658.3 Ų58.338%0.3835%0.349SS..EExtended strand (participates in β ladder)trans-106.9132.8169.200000109.3V303V303-A314 WeakPolarHBondContact O-CA 3.19Å
315Y89.1Confident84Confident35 Ų3559.7 Ų59.714%0.13735%0.351CS..EExtended strand (participates in β ladder)trans-112.8134.6-179.8-69.5-88000109.7I57 F66 R302 V303 I306 L308 N313I57-Y315 HydrophobicContact CD1-CD1 3.83Å; I57-Y315 HydrophobicContact CD1-CG 4.18Å; F66-Y315 HydrophobicContact CZ-CD2 4.44Å; F66-Y315 HydrophobicContact CZ-CG 4.41Å; R302-Y315 WeakPolarHBondContact CA-O 3.46Å; V303-Y315 PolarHBondContact N-O 3.19Å; V303-Y315 PolarHBondContact O-N 3.03Å; I306-Y315 HydrophobicContact CB-CD2 4.3Å; I306-Y315 HydrophobicContact CB-CE2 4.14Å; I306-Y315 HydrophobicContact CD1-CD2 3.43Å; I306-Y315 VanDerWaalsContact CD1-CD2 3.43Å; I306-Y315 HydrophobicContact CD1-CE2 3.97Å; I306-Y315 HydrophobicContact CD1-CG 4.34Å; I306-Y315 HydrophobicContact CG1-CD2 4.42Å; I306-Y315 HydrophobicContact CG2-CE2 4.24Å; L308-Y315 HydrophobicContact CD1-CE2 4.49Å; L308-Y315 WeakPolarHBondContact CD1-OH 3.49Å; N313-Y315 HydrophobicContact CB-CD2 4.44Å; N313-Y315 HydrophobicContact CB-CE2 3.76Å
316T91.3Very high84.6Confident52 Ų5260.4 Ų60.432%0.31935%0.345SS..EExtended strand (participates in β ladder)trans-109.2127.717652.70000109.3W95 C301 R302W95-T316 HydrophobicContact CH2-CG2 4.05Å; W95-T316 HydrophobicContact CZ2-CG2 3.48Å; W95-T316 VanDerWaalsContact CZ2-CG2 3.48Å; C301-T316 CarbonylContact O-C 3.58Å; C301-T316 WeakPolarHBondContact O-CA 3.35Å; R302-T316 HydrophobicContact CB-CG2 4.2Å; R302-T316 HydrophobicContact CG-CG2 4.2Å
317A92.8Very high85.1Confident1 Ų159 Ų591%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-117.4144.2179.400000110.4C55 Y56 I57 L70 Y300 C301C55-A317 HydrophobicContact CB-CB 4.32Å; Y56-A317 WeakPolarHBondContact O-CA 3.33Å; I57-A317 HydrophobicContact CB-CB 4.44Å; L70-A317 HydrophobicContact CD1-CB 3.95Å; L70-A317 HydrophobicContact CD2-CB 3.78Å; L70-A317 HydrophobicContact CG-CB 4.18Å; Y300-A317 WeakPolarHBondContact CA-O 3.28Å; C301-A317 PolarHBondContact N-O 3.23Å; C301-A317 PolarHBondContact O-N 3.13Å
318Q93.7Very high85.7Confident85 Ų8549.7 Ų49.740%0.39730%0.304SS..EExtended strand (participates in β ladder)trans-96.7118.7171.6-174.9-179.518.400108.4C55 Y56 V298 Y300C55-Q318 CarbonylContact C-O 3.57Å; C55-Q318 WeakPolarHBondContact CA-O 3.31Å; Y56-Q318 PolarHBondContact N-O 3.15Å; Y56-Q318 PolarHBondContact O-N 3.29Å; V298-Q318 HydrophobicContact CG1-CG 3.79Å; Y300-Q318 HydrophobicContact CD1-CB 4.31Å; Y300-Q318 HydrophobicContact CD1-CG 4.48Å; Y300-Q318 HydrophobicContact CE1-CB 4.15Å; Y300-Q318 HydrophobicContact CE1-CG 4.03Å
319C94.5Very high86.5Confident1 Ų151.7 Ų51.71%0.00731%0.31CS..EExtended strand (participates in β ladder)trans-114.4136.3-175.5-55.60000111.4I53 S54 C55 V298 A299 L321I53-C319 HydrophobicContact CD1-CB 3.73Å; I53-C319 HydrophobicContact CG1-CB 3.83Å; S54-C319 CarbonylContact O-C 3.6Å; S54-C319 WeakPolarHBondContact O-CA 3.4Å; C55-C319 HydrophobicContact CB-CB 4.13Å; C55-C319 WeakPolarHBondContact CB-SG 3.34Å; C55-C319 WeakPolarHBondContact SG-CB 3.46Å; C55-C319 CovalentContact SG-SG 2.05Å; C55-C319 PolarHBondContact SG-SG 2.93Å; V298-C319 WeakPolarHBondContact CA-O 3.43Å; A299-C319 PolarHBondContact N-O 3.08Å; A299-C319 PolarHBondContact O-N 3.02Å; C319-L321 HydrophobicContact CB-CD1 4.45Å; C319-L321 WeakPolarHBondContact O-CD1 3.49Å
320A93.1Very high87.6Confident43 Ų4344.7 Ų44.736%0.35527%0.266SS..EExtended strand (participates in β ladder)trans-92137.3168.100000109.8S54 R297 P322S54-A320 PolarHBondContact N-O 3.27Å; S54-A320 VanDerWaalsContact N-O 3.09Å; S54-A320 PolarHBondContact O-N 3.17Å; R297-A320 CarbonylContact O-C 3.56Å; R297-A320 WeakPolarHBondContact O-CA 3.28Å; A320-P322 VanDerWaalsContact C-CD 3.47Å; A320-P322 VanDerWaalsContact O-CD 3.29Å; A320-P322 WeakPolarHBondContact O-CD 3.29Å
321L90.6Very high88.6Confident2 Ų240.6 Ų40.61%0.0122%0.224CC..  trans-118.876.8-177.7-68.786.2000111.2I53 Y107 R297 A299 C319 I323 N324I53-L321 HydrophobicContact CD1-CG 4.45Å; Y107-L321 HydrophobicContact CD1-CD2 4.12Å; Y107-L321 HydrophobicContact CE1-CD2 3.77Å; R297-L321 PolarHBondContact O-N 3.48Å; A299-L321 HydrophobicContact CB-CD1 3.79Å; C319-L321 HydrophobicContact CB-CD1 4.45Å; C319-L321 WeakPolarHBondContact O-CD1 3.49Å; L321-I323 PolarHBondContact O-N 2.87Å; L321-N324 HydrophobicContact CB-CB 4.3Å; L321-N324 WeakPolarHBondContact O-CB 3.36Å; L321-N324 PolarHBondContact O-N 3.17Å; L321-N324 VanDerWaalsContact O-N 3.09Å
322P90.1Very high89.2Confident55 Ų5539.5 Ų39.536%0.35721%0.211SC..Hα-helixtrans-59.3-30.2178.2-23.833.2000113.9A320 N324 M325A320-P322 VanDerWaalsContact C-CD 3.47Å; A320-P322 VanDerWaalsContact O-CD 3.29Å; A320-P322 WeakPolarHBondContact O-CD 3.29Å; P322-N324 PolarHBondContact O-N 2.71Å; P322-M325 WeakPolarHBondContact O-CB 3.42Å; P322-M325 PolarHBondContact O-N 3.12Å
323I89.3Confident89.8Confident0 Ų037.8 Ų37.80%020%0.202CC..Hα-helixtrans-58.4-29.3177.8-166167.4000112V43 Q47 W75 L321 L326 N327V43-I323 HydrophobicContact CG1-CD1 4.49Å; Q47-I323 HydrophobicContact CB-CD1 4Å; Q47-I323 HydrophobicContact CG-CD1 4.37Å; W75-I323 HydrophobicContact CH2-CD1 4.13Å; W75-I323 HydrophobicContact CZ3-CG2 4.31Å; L321-I323 PolarHBondContact O-N 2.87Å; I323-L326 WeakPolarHBondContact O-CB 3.27Å; I323-L326 PolarHBondContact O-N 3.49Å; I323-N327 VanDerWaalsContact O-CG 3.31Å; I323-N327 PolarHBondContact O-N 3.34Å; I323-N327 PolarHBondContact O-ND2 2.95Å
324N88.8Confident90.3Very high0 Ų034.6 Ų34.60%019%0.185CC..Hα-helixtrans-73.8-32.4-176.4-142.519.4000113.1Y106 F295 P296 L321 P322 L326 N327 E328Y106-N324 PolarHBondContact OH-ND2 2.87Å; Y106-N324 PolarHBondContact OH-OD1 3.35Å; F295-N324 WeakPolarHBondContact CA-ND2 3.23Å; F295-N324 WeakPolarHBondContact CD1-OD1 3.35Å; P296-N324 VanDerWaalsContact CD-ND2 3.3Å; P296-N324 WeakPolarHBondContact CD-ND2 3.46Å; P296-N324 VanDerWaalsContact N-ND2 3.1Å; P296-N324 PolarHBondContact O-ND2 3.19Å; L321-N324 HydrophobicContact CB-CB 4.3Å; L321-N324 WeakPolarHBondContact O-CB 3.36Å; L321-N324 PolarHBondContact O-N 3.17Å; L321-N324 VanDerWaalsContact O-N 3.09Å; P322-N324 PolarHBondContact O-N 2.71Å; N324-L326 PolarHBondContact O-N 2.88Å; N324-N327 PolarHBondContact O-N 3.38Å; N324-E328 WeakPolarHBondContact O-CB 3.49Å; N324-E328 PolarHBondContact O-N 3.22Å
325M88.3Confident90.4Very high98 Ų9833 Ų3348%0.48317%0.169SC..Hα-helixtrans-61.1-37.9171.5-175-178.770.100111P322 K329P322-M325 WeakPolarHBondContact O-CB 3.42Å; P322-M325 PolarHBondContact O-N 3.12Å; M325-K329 WeakPolarHBondContact O-CG 3.37Å; M325-K329 PolarHBondContact O-N 2.94Å
326L90.3Very high90.5Very high52 Ų5236 Ų3627%0.27218%0.183SC..Hα-helixtrans-68.8-47.2175.618065.9000111.2I42 V43 K46 I323 N324 E328 K329 I330I42-L326 HydrophobicContact CG2-CD2 4.08Å; V43-L326 HydrophobicContact CG2-CD2 4.08Å; K46-L326 HydrophobicContact CB-CD2 4.45Å; I323-L326 WeakPolarHBondContact O-CB 3.27Å; I323-L326 PolarHBondContact O-N 3.49Å; N324-L326 PolarHBondContact O-N 2.88Å; L326-E328 VanDerWaalsContact C-N 3.34Å; L326-E328 PolarHBondContact O-N 3.23Å; L326-K329 PolarHBondContact O-N 3.09Å; L326-I330 HydrophobicContact CD1-CD1 3.92Å; L326-I330 HydrophobicContact CD1-CG1 4.25Å; L326-I330 HydrophobicContact CD2-CD1 4.26Å; L326-I330 HydrophobicContact CG-CD1 3.7Å; L326-I330 HydrophobicContact CG-CG1 4.36Å; L326-I330 WeakPolarHBondContact O-CG1 3.14Å; L326-I330 PolarHBondContact O-N 2.89Å
327N89.8Confident90.6Very high1 Ų136 Ų361%0.00518%0.177CC..Hα-helixtrans-59.6-43.6179.5-67.4-18.8000112.1F295 I323 N324 K329 I330 Y331F295-N327 HydrophobicContact CE1-CB 4.32Å; I323-N327 VanDerWaalsContact O-CG 3.31Å; I323-N327 PolarHBondContact O-N 3.34Å; I323-N327 PolarHBondContact O-ND2 2.95Å; N324-N327 PolarHBondContact O-N 3.38Å; N327-K329 VanDerWaalsContact C-N 3.31Å; N327-K329 PolarHBondContact O-N 2.83Å; N327-I330 PolarHBondContact O-N 3.32Å; N327-Y331 HydrophobicContact CB-CD2 4.31Å; N327-Y331 HydrophobicContact CB-CE2 4.39Å; N327-Y331 VanDerWaalsContact O-CD2 3.25Å; N327-Y331 WeakPolarHBondContact O-CD2 3.35Å; N327-Y331 PolarHBondContact O-N 3.31Å
328E87Confident90.6Very high13 Ų1336 Ų366%0.06118%0.177CC..Hα-helixtrans-51-51.2174.8-172.2-155.7131.100110.6F295 R297 N324 L326 I332F295-E328 HydrophobicContact CB-CB 4.13Å; F295-E328 HydrophobicContact CB-CG 4.28Å; F295-E328 HydrophobicContact CD1-CB 4.37Å; F295-E328 HydrophobicContact CD2-CB 4Å; F295-E328 HydrophobicContact CD2-CG 3.82Å; F295-E328 HydrophobicContact CE2-CG 4.43Å; F295-E328 HydrophobicContact CG-CB 3.94Å; F295-E328 HydrophobicContact CG-CG 4.17Å; R297-E328 IonicContact CZ-OE2 3.75Å; R297-E328 IonicContact NE-OE2 2.87Å; R297-E328 IonicContact NH2-OE2 3.94Å; R297-E328 PolarHBondContact NH2-OE2 2.92Å; N324-E328 WeakPolarHBondContact O-CB 3.49Å; N324-E328 PolarHBondContact O-N 3.22Å; L326-E328 VanDerWaalsContact C-N 3.34Å; L326-E328 PolarHBondContact O-N 3.23Å; E328-I332 HydrophobicContact CG-CD1 4.02Å; E328-I332 WeakPolarHBondContact O-CB 3.44Å; E328-I332 WeakPolarHBondContact O-CD1 3.23Å; E328-I332 WeakPolarHBondContact O-CG1 3.05Å; E328-I332 PolarHBondContact O-N 2.88Å; E328-I332 VanDerWaalsContact O-N 3.13Å
329K88.5Confident90.4Very high107 Ų10734.1 Ų34.147%0.46517%0.172SC..Hα-helixtrans-69.8-40.2-178.4-58.6-45.8179.3-1630112.9M325 L326 N327 F333M325-K329 WeakPolarHBondContact O-CG 3.37Å; M325-K329 PolarHBondContact O-N 2.94Å; L326-K329 PolarHBondContact O-N 3.09Å; N327-K329 VanDerWaalsContact C-N 3.31Å; N327-K329 PolarHBondContact O-N 2.83Å; K329-F333 WeakPolarHBondContact O-CB 3.31Å; K329-F333 PolarHBondContact O-N 3.48Å
330I91.8Very high90.4Very high17 Ų1739.2 Ų39.29%0.08720%0.195CC..Hα-helixtrans-62.2-49.8178.8-72.1176.2000110.7V43 L114 L326 N327 F333 F334V43-I330 HydrophobicContact CG2-CD1 3.42Å; V43-I330 VanDerWaalsContact CG2-CD1 3.42Å; L114-I330 HydrophobicContact CD2-CG2 4.49Å; L326-I330 HydrophobicContact CD1-CD1 3.92Å; L326-I330 HydrophobicContact CD1-CG1 4.25Å; L326-I330 HydrophobicContact CD2-CD1 4.26Å; L326-I330 HydrophobicContact CG-CD1 3.7Å; L326-I330 HydrophobicContact CG-CG1 4.36Å; L326-I330 WeakPolarHBondContact O-CG1 3.14Å; L326-I330 PolarHBondContact O-N 2.89Å; N327-I330 PolarHBondContact O-N 3.32Å; I330-F333 PolarHBondContact O-N 3.25Å; I330-F334 HydrophobicContact CG2-CD2 3.53Å; I330-F334 HydrophobicContact CG2-CE2 3.55Å; I330-F334 VanDerWaalsContact O-CD2 3.27Å; I330-F334 WeakPolarHBondContact O-CD2 3.45Å; I330-F334 PolarHBondContact O-N 2.84Å
331Y89.4Confident90.4Very high0 Ų037.2 Ų37.20%018%0.178CC..Hα-helixtrans-70-35.4-177.4-77.4-63.3000113V110 L114 I230 F233 L234 F295 N327 F334 W335V110-Y331 HydrophobicContact CG1-CE2 4.17Å; V110-Y331 HydrophobicContact CG2-CE2 4.35Å; L114-Y331 HydrophobicContact CD2-CE1 4.35Å; I230-Y331 HydrophobicContact CG1-CD1 4.28Å; I230-Y331 HydrophobicContact CG1-CE1 4.33Å; I230-Y331 HydrophobicContact CG2-CD1 3.78Å; I230-Y331 HydrophobicContact CG2-CE1 4.35Å; F233-Y331 WeakPolarHBondContact CD1-OH 3.48Å; F233-Y331 HydrophobicContact CE1-CE2 4.32Å; F233-Y331 AromaticContact CE1-CZ 3.97Å; F233-Y331 WeakPolarHBondContact CE1-OH 3.34Å; L234-Y331 HydrophobicContact CD1-CD2 4.43Å; L234-Y331 HydrophobicContact CD1-CG 4.13Å; L234-Y331 HydrophobicContact CD2-CD2 4.02Å; L234-Y331 HydrophobicContact CD2-CE2 4.12Å; F295-Y331 HydrophobicContact CE1-CD2 4.31Å; F295-Y331 HydrophobicContact CZ-CD2 4.28Å; N327-Y331 HydrophobicContact CB-CD2 4.31Å; N327-Y331 HydrophobicContact CB-CE2 4.39Å; N327-Y331 VanDerWaalsContact O-CD2 3.25Å; N327-Y331 WeakPolarHBondContact O-CD2 3.35Å; N327-Y331 PolarHBondContact O-N 3.31Å; Y331-F334 PolarHBondContact O-N 3.41Å; Y331-W335 WeakPolarHBondContact O-CB 3.35Å; Y331-W335 PolarHBondContact O-N 3.17Å
332I86.5Confident90.5Very high24 Ų2438.3 Ų38.312%0.12318%0.184CC..Hα-helixtrans-61.9-47.9172.5-69.8167.3000110.1V279 I283 E328 F334 W335 F336V279-I332 HydrophobicContact CG1-CD1 3.85Å; V279-I332 HydrophobicContact CG1-CG1 4.09Å; I283-I332 HydrophobicContact CD1-CD1 3.46Å; I283-I332 VanDerWaalsContact CD1-CD1 3.46Å; E328-I332 HydrophobicContact CG-CD1 4.02Å; E328-I332 WeakPolarHBondContact O-CB 3.44Å; E328-I332 WeakPolarHBondContact O-CD1 3.23Å; E328-I332 WeakPolarHBondContact O-CG1 3.05Å; E328-I332 PolarHBondContact O-N 2.88Å; E328-I332 VanDerWaalsContact O-N 3.13Å; I332-F334 PolarHBondContact O-N 3.21Å; I332-W335 PolarHBondContact O-N 2.91Å; I332-F336 HydrophobicContact CG2-CD2 3.97Å; I332-F336 HydrophobicContact CG2-CE2 3.85Å; I332-F336 VanDerWaalsContact O-CD2 3.3Å; I332-F336 WeakPolarHBondContact O-CD2 3.3Å; I332-F336 PolarHBondContact O-N 3.47Å
333F91.8Very high90.7Very high95 Ų9538.5 Ų38.542%0.41719%0.19SC..Hα-helixtrans-58.2-50.4177.5170.1-98.7000111.6L35 K329 I330 W335 F336 W337L35-F333 HydrophobicContact CD1-CE1 4.14Å; L35-F333 HydrophobicContact CD1-CZ 4.18Å; K329-F333 WeakPolarHBondContact O-CB 3.31Å; K329-F333 PolarHBondContact O-N 3.48Å; I330-F333 PolarHBondContact O-N 3.25Å; F333-W335 VanDerWaalsContact C-N 3.31Å; F333-W335 PolarHBondContact O-N 3.31Å; F333-F336 PolarHBondContact O-N 3.37Å; F333-W337 HydrophobicContact CE1-CB 4.43Å; F333-W337 HydrophobicContact CE2-CE3 4.32Å; F333-W337 HydrophobicContact CZ-CB 4.42Å; F333-W337 HydrophobicContact CZ-CD2 4.22Å; F333-W337 HydrophobicContact CZ-CE3 4.03Å; F333-W337 HydrophobicContact CZ-CG 4.38Å; F333-W337 VanDerWaalsContact O-CB 3.23Å; F333-W337 WeakPolarHBondContact O-CB 3.24Å; F333-W337 PolarHBondContact O-N 3.28Å
334F92.6Very high91Very high0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-64-34.8179.9-82.3-59.5000113L35 F36 S39 L114 I230 I330 Y331 I332 W337 I338L35-F334 HydrophobicContact CB-CE1 3.95Å; L35-F334 HydrophobicContact CB-CZ 4.21Å; F36-F334 HydrophobicContact CB-CZ 4.45Å; F36-F334 HydrophobicContact CD1-CD1 4.39Å; F36-F334 HydrophobicContact CD1-CD2 4.46Å; F36-F334 AromaticContact CD1-CE1 3.9Å; F36-F334 HydrophobicContact CD1-CE1 3.9Å; F36-F334 AromaticContact CD1-CE2 3.95Å; F36-F334 HydrophobicContact CD1-CE2 3.95Å; F36-F334 AromaticContact CD1-CZ 3.67Å; F36-F334 HydrophobicContact CD1-CZ 3.67Å; F36-F334 HydrophobicContact CD2-CD1 4.27Å; F36-F334 AromaticContact CD2-CE1 3.73Å; F36-F334 HydrophobicContact CD2-CE1 3.73Å; F36-F334 HydrophobicContact CD2-CZ 4.24Å; F36-F334 AromaticContact CE1-CD1 3.81Å; F36-F334 HydrophobicContact CE1-CD1 3.81Å; F36-F334 AromaticContact CE1-CD2 3.9Å; F36-F334 HydrophobicContact CE1-CD2 3.9Å; F36-F334 AromaticContact CE1-CE1 3.78Å; F36-F334 HydrophobicContact CE1-CE1 3.78Å; F36-F334 AromaticContact CE1-CE2 3.86Å; F36-F334 HydrophobicContact CE1-CE2 3.86Å; F36-F334 AromaticContact CE1-CG 3.88Å; F36-F334 HydrophobicContact CE1-CG 3.88Å; F36-F334 AromaticContact CE1-CZ 3.82Å; F36-F334 HydrophobicContact CE1-CZ 3.82Å; F36-F334 AromaticContact CE2-CD1 3.65Å; F36-F334 HydrophobicContact CE2-CD1 3.65Å; F36-F334 AromaticContact CE2-CE1 3.6Å; F36-F334 HydrophobicContact CE2-CE1 3.6Å; F36-F334 HydrophobicContact CE2-CG 4.46Å; F36-F334 HydrophobicContact CE2-CZ 4.36Å; F36-F334 AromaticContact CG-CE1 3.86Å; F36-F334 HydrophobicContact CG-CE1 3.86Å; F36-F334 AromaticContact CG-CZ 3.88Å; F36-F334 HydrophobicContact CG-CZ 3.88Å; F36-F334 HydrophobicContact CZ-CB 4.35Å; F36-F334 AromaticContact CZ-CD1 3.4Å; F36-F334 HydrophobicContact CZ-CD1 3.4Å; F36-F334 HydrophobicContact CZ-CD2 4.27Å; F36-F334 AromaticContact CZ-CE1 3.64Å; F36-F334 HydrophobicContact CZ-CE1 3.64Å; F36-F334 HydrophobicContact CZ-CE2 4.45Å; F36-F334 AromaticContact CZ-CG 3.77Å; F36-F334 HydrophobicContact CZ-CG 3.77Å; F36-F334 HydrophobicContact CZ-CZ 4.17Å; S39-F334 WeakPolarHBondContact OG-CE2 3.39Å; S39-F334 WeakPolarHBondContact OG-CZ 3.49Å; L114-F334 HydrophobicContact CD2-CE2 4.31Å; I230-F334 HydrophobicContact CD1-CB 4.39Å; I330-F334 HydrophobicContact CG2-CD2 3.53Å; I330-F334 HydrophobicContact CG2-CE2 3.55Å; I330-F334 VanDerWaalsContact O-CD2 3.27Å; I330-F334 WeakPolarHBondContact O-CD2 3.45Å; I330-F334 PolarHBondContact O-N 2.84Å; Y331-F334 PolarHBondContact O-N 3.41Å; I332-F334 PolarHBondContact O-N 3.21Å; F334-W337 PolarHBondContact O-N 3.23Å; F334-I338 HydrophobicContact CB-CD1 4.45Å; F334-I338 WeakPolarHBondContact O-CB 3.31Å; F334-I338 WeakPolarHBondContact O-CD1 3.37Å; F334-I338 WeakPolarHBondContact O-CG1 3.29Å; F334-I338 PolarHBondContact O-N 3.07Å
335W89.1Confident91.2Very high13 Ų1339.7 Ų39.75%0.04920%0.199CC..Hα-helixtrans-61.2-52.5176.8-174.891.7000111.2F273 G276 L277 Y331 I332 F333 W337 I338 C339F273-W335 VanDerWaalsContact O-CZ2 3.31Å; F273-W335 WeakPolarHBondContact O-CZ2 3.45Å; F273-W335 PolarHBondContact O-NE1 3.01Å; G276-W335 VanDerWaalsContact N-CE2 3.31Å; L277-W335 HydrophobicContact CB-CH2 4.01Å; L277-W335 HydrophobicContact CD1-CH2 3.69Å; L277-W335 HydrophobicContact CD1-CZ2 4.47Å; L277-W335 HydrophobicContact CG-CH2 3.7Å; L277-W335 HydrophobicContact CG-CZ3 4.23Å; Y331-W335 WeakPolarHBondContact O-CB 3.35Å; Y331-W335 PolarHBondContact O-N 3.17Å; I332-W335 PolarHBondContact O-N 2.91Å; F333-W335 VanDerWaalsContact C-N 3.31Å; F333-W335 PolarHBondContact O-N 3.31Å; W335-W337 VanDerWaalsContact C-N 3.32Å; W335-W337 PolarHBondContact O-N 2.98Å; W335-I338 PolarHBondContact O-N 3.1Å; W335-C339 PolarHBondContact O-N 2.94Å; W335-C339 PolarHBondContact O-SG 3.46Å
336F90.6Very high91.5Very high97 Ų9738.4 Ų38.443%0.42519%0.194SC..Hα-helixtrans-62.5-41177.1-77.3-71.4000112.1A280 I332 F333 C339 F340A280-F336 HydrophobicContact CB-CE2 4.07Å; A280-F336 HydrophobicContact CB-CZ 3.77Å; I332-F336 HydrophobicContact CG2-CD2 3.97Å; I332-F336 HydrophobicContact CG2-CE2 3.85Å; I332-F336 VanDerWaalsContact O-CD2 3.3Å; I332-F336 WeakPolarHBondContact O-CD2 3.3Å; I332-F336 PolarHBondContact O-N 3.47Å; F333-F336 PolarHBondContact O-N 3.37Å; F336-C339 PolarHBondContact O-N 3.36Å; F336-F340 PolarHBondContact O-N 3.47Å
337W93.9Very high91.7Very high53 Ų5342.1 Ų42.120%0.20121%0.208CC..Hα-helixtrans-63.6-46179.8-175.4-93.9000112F31 L35 F333 F334 W335 F340 L341F31-W337 HydrophobicContact CD1-CH2 4.13Å; F31-W337 AromaticContact CD1-CZ2 3.7Å; F31-W337 HydrophobicContact CD1-CZ2 3.7Å; F31-W337 HydrophobicContact CE1-CH2 4.01Å; F31-W337 AromaticContact CE1-CZ2 3.97Å; F31-W337 HydrophobicContact CE1-CZ2 3.97Å; L35-W337 HydrophobicContact CD1-CD2 4.14Å; L35-W337 HydrophobicContact CD1-CZ2 3.98Å; F333-W337 HydrophobicContact CE1-CB 4.43Å; F333-W337 HydrophobicContact CE2-CE3 4.32Å; F333-W337 HydrophobicContact CZ-CB 4.42Å; F333-W337 HydrophobicContact CZ-CD2 4.22Å; F333-W337 HydrophobicContact CZ-CE3 4.03Å; F333-W337 HydrophobicContact CZ-CG 4.38Å; F333-W337 VanDerWaalsContact O-CB 3.23Å; F333-W337 WeakPolarHBondContact O-CB 3.24Å; F333-W337 PolarHBondContact O-N 3.28Å; F334-W337 PolarHBondContact O-N 3.23Å; W335-W337 VanDerWaalsContact C-N 3.32Å; W335-W337 PolarHBondContact O-N 2.98Å; W337-F340 WeakPolarHBondContact O-CB 3.49Å; W337-F340 PolarHBondContact O-N 3.49Å; W337-L341 WeakPolarHBondContact O-CG 3.49Å; W337-L341 PolarHBondContact O-N 3.49Å
338I92.4Very high91.9Very high0 Ų042.3 Ų42.30%021%0.21CC..Hα-helixtrans-67.6-38.7178.3-63.3165.3000111F36 F121 A223 Q226 V227 I230 F334 W335 F340 L341 I342F36-I338 HydrophobicContact CE2-CD1 4.48Å; F36-I338 HydrophobicContact CZ-CD1 4.09Å; F121-I338 HydrophobicContact CE2-CD1 4.21Å; F121-I338 HydrophobicContact CE2-CG1 4.41Å; F121-I338 HydrophobicContact CZ-CD1 4.15Å; F121-I338 HydrophobicContact CZ-CG1 4Å; F121-I338 HydrophobicContact CZ-CG2 4.39Å; A223-I338 HydrophobicContact CB-CG2 4.27Å; A223-I338 WeakPolarHBondContact O-CG2 3.48Å; Q226-I338 HydrophobicContact CB-CD1 4.26Å; V227-I338 HydrophobicContact CG2-CB 4.15Å; V227-I338 HydrophobicContact CG2-CG2 3.45Å; V227-I338 VanDerWaalsContact CG2-CG2 3.45Å; I230-I338 HydrophobicContact CD1-CD1 3.73Å; F334-I338 HydrophobicContact CB-CD1 4.45Å; F334-I338 WeakPolarHBondContact O-CB 3.31Å; F334-I338 WeakPolarHBondContact O-CD1 3.37Å; F334-I338 WeakPolarHBondContact O-CG1 3.29Å; F334-I338 PolarHBondContact O-N 3.07Å; W335-I338 PolarHBondContact O-N 3.1Å; I338-F340 VanDerWaalsContact C-N 3.29Å; I338-F340 PolarHBondContact O-N 3.45Å; I338-L341 HydrophobicContact CG1-CD1 4.38Å; I338-L341 WeakPolarHBondContact O-CB 3.2Å; I338-L341 PolarHBondContact O-N 3.19Å; I338-L341 VanDerWaalsContact O-N 3.15Å; I338-I342 HydrophobicContact CG2-CD1 4.01Å; I338-I342 HydrophobicContact CG2-CG1 4.32Å; I338-I342 WeakPolarHBondContact O-CG1 3.5Å; I338-I342 PolarHBondContact O-N 3.28Å
339C90.9Very high92.2Very high45 Ų4542.9 Ų42.930%0.30421%0.213SC..Hα-helixtrans-58.2-43.2172.5-71.50000111.7W335 F336 I342 A343W335-C339 PolarHBondContact O-N 2.94Å; W335-C339 PolarHBondContact O-SG 3.46Å; F336-C339 PolarHBondContact O-N 3.36Å; C339-I342 PolarHBondContact O-N 2.92Å; C339-A343 PolarHBondContact O-N 3.4Å; C339-A343 VanDerWaalsContact O-N 3.1Å
340F93.4Very high92.4Very high108 Ų10842.4 Ų42.447%0.47422%0.215SC..Hα-helixtrans-61.4-43.3173.5170.1-101.9000112.3L28 F336 W337 I338 I342 A343 A344L28-F340 HydrophobicContact CD1-CE1 3.93Å; L28-F340 HydrophobicContact CD1-CZ 4.39Å; F336-F340 PolarHBondContact O-N 3.47Å; W337-F340 WeakPolarHBondContact O-CB 3.49Å; W337-F340 PolarHBondContact O-N 3.49Å; I338-F340 VanDerWaalsContact C-N 3.29Å; I338-F340 PolarHBondContact O-N 3.45Å; F340-I342 PolarHBondContact O-N 3.23Å; F340-A343 PolarHBondContact O-N 2.91Å; F340-A344 WeakPolarHBondContact O-CB 3.36Å; F340-A344 PolarHBondContact O-N 2.81Å
341L93.9Very high92.4Very high2 Ų244.2 Ų44.21%0.0122%0.224CC..Hα-helixtrans-61.5-41.8175.5-66.4168.1000112.8L28 T32 F121 W337 I338 A343 A344 S345L28-L341 HydrophobicContact CB-CD2 3.82Å; T32-L341 HydrophobicContact CG2-CD1 3.24Å; T32-L341 HydrophobicContact CG2-CD2 3.66Å; T32-L341 HydrophobicContact CG2-CG 3.97Å; F121-L341 HydrophobicContact CE1-CD1 4.39Å; W337-L341 WeakPolarHBondContact O-CG 3.49Å; W337-L341 PolarHBondContact O-N 3.49Å; I338-L341 HydrophobicContact CG1-CD1 4.38Å; I338-L341 WeakPolarHBondContact O-CB 3.2Å; I338-L341 PolarHBondContact O-N 3.19Å; I338-L341 VanDerWaalsContact O-N 3.15Å; L341-A343 VanDerWaalsContact C-N 3.33Å; L341-A344 PolarHBondContact O-N 2.86Å; L341-S345 WeakPolarHBondContact O-CB 3.31Å; L341-S345 PolarHBondContact O-N 2.92Å; L341-S345 PolarHBondContact O-OG 3.07Å
342I93.2Very high92.5Very high24 Ų2444.2 Ų44.212%0.12322%0.224CC..Hα-helixtrans-60.2-48.4178.2-70.3166.5000108.8A223 I224 V227 I338 C339 F340 A344 S345 I346A223-I342 HydrophobicContact CB-CD1 4.29Å; A223-I342 HydrophobicContact CB-CG1 3.62Å; I224-I342 HydrophobicContact CG1-CD1 4Å; I224-I342 HydrophobicContact CG1-CG1 4.43Å; V227-I342 HydrophobicContact CG2-CD1 3.95Å; I338-I342 HydrophobicContact CG2-CD1 4.01Å; I338-I342 HydrophobicContact CG2-CG1 4.32Å; I338-I342 WeakPolarHBondContact O-CG1 3.5Å; I338-I342 PolarHBondContact O-N 3.28Å; C339-I342 PolarHBondContact O-N 2.92Å; F340-I342 PolarHBondContact O-N 3.23Å; I342-A344 PolarHBondContact O-N 3.42Å; I342-S345 PolarHBondContact O-N 3.18Å; I342-I346 HydrophobicContact CG2-CD1 3.69Å; I342-I346 HydrophobicContact CG2-CG1 4.43Å; I342-I346 WeakPolarHBondContact O-CB 3.45Å; I342-I346 VanDerWaalsContact O-CG1 3.26Å; I342-I346 WeakPolarHBondContact O-CG1 3.37Å; I342-I346 PolarHBondContact O-N 3.24Å
343A94.2Very high92.7Very high59 Ų5945.8 Ų45.849%0.48823%0.233SC..Hα-helixtrans-60.4-46.6177.100000112.3C339 F340 L341 S345 I346 F347C339-A343 PolarHBondContact O-N 3.4Å; C339-A343 VanDerWaalsContact O-N 3.1Å; F340-A343 PolarHBondContact O-N 2.91Å; L341-A343 VanDerWaalsContact C-N 3.33Å; A343-S345 VanDerWaalsContact C-N 3.33Å; A343-S345 PolarHBondContact O-N 2.84Å; A343-I346 PolarHBondContact O-N 3.3Å; A343-F347 WeakPolarHBondContact O-CB 3.25Å; A343-F347 PolarHBondContact O-N 3.37Å
344A94.4Very high92.6Very high20 Ų2044.6 Ų44.617%0.16523%0.233CC..Hα-helixtrans-62.7-38.6177.300000112.5L28 F340 L341 I342 F347 S348L28-A344 HydrophobicContact CD1-CB 4.33Å; F340-A344 WeakPolarHBondContact O-CB 3.36Å; F340-A344 PolarHBondContact O-N 2.81Å; L341-A344 PolarHBondContact O-N 2.86Å; I342-A344 PolarHBondContact O-N 3.42Å; A344-F347 PolarHBondContact O-N 3.48Å; A344-S348 WeakPolarHBondContact O-CB 3.37Å; A344-S348 PolarHBondContact O-N 3.38Å
345S93.6Very high92.3Very high5 Ų548.4 Ų48.44%0.03525%0.247CC..Hα-helixtrans-71.5-41.2179.9-58.50000112.1S25 L341 I342 A343 S348 L349S25-S345 WeakPolarHBondContact OG-CA 3.5Å; S25-S345 PolarHBondContact OG-N 3.05Å; S25-S345 PolarHBondContact OG-OG 3.44Å; L341-S345 WeakPolarHBondContact O-CB 3.31Å; L341-S345 PolarHBondContact O-N 2.92Å; L341-S345 PolarHBondContact O-OG 3.07Å; I342-S345 PolarHBondContact O-N 3.18Å; A343-S345 VanDerWaalsContact C-N 3.33Å; A343-S345 PolarHBondContact O-N 2.84Å; S345-S348 PolarHBondContact O-N 3.5Å; S345-L349 WeakPolarHBondContact O-CB 3.45Å; S345-L349 PolarHBondContact O-N 3.28Å
346I94.7Very high92.1Very high71 Ų7148.1 Ų48.136%0.36425%0.247SC..Hα-helixtrans-61.9-46.1172.6-69.1167.8000109.8I220 I342 A343 S348 L349 L350I220-I346 HydrophobicContact CD1-CG1 4.06Å; I220-I346 HydrophobicContact CG1-CG1 4.47Å; I220-I346 HydrophobicContact CG2-CG1 4.33Å; I342-I346 HydrophobicContact CG2-CD1 3.69Å; I342-I346 HydrophobicContact CG2-CG1 4.43Å; I342-I346 WeakPolarHBondContact O-CB 3.45Å; I342-I346 VanDerWaalsContact O-CG1 3.26Å; I342-I346 WeakPolarHBondContact O-CG1 3.37Å; I342-I346 PolarHBondContact O-N 3.24Å; A343-I346 PolarHBondContact O-N 3.3Å; I346-S348 PolarHBondContact O-N 2.85Å; I346-L349 PolarHBondContact O-N 3.22Å; I346-L350 HydrophobicContact CG2-CD1 4.04Å; I346-L350 HydrophobicContact CG2-CG 4.4Å; I346-L350 VanDerWaalsContact O-CG 3.31Å; I346-L350 WeakPolarHBondContact O-CG 3.17Å; I346-L350 PolarHBondContact O-N 2.86Å
347F95Very high91.7Very high131 Ų13147 Ų4758%0.57525%0.248SC*.Hα-helixtrans-61.1-44.6177.1-177.3-108000112.1A343 A344 L350 L351A343-F347 WeakPolarHBondContact O-CB 3.25Å; A343-F347 PolarHBondContact O-N 3.37Å; A344-F347 PolarHBondContact O-N 3.48Å; F347-L350 PolarHBondContact O-N 3.24Å; F347-L351 HydrophobicContact CD1-CD1 3.78Å; F347-L351 HydrophobicContact CD1-CG 4.29Å; F347-L351 HydrophobicContact CE1-CD1 3.31Å; F347-L351 HydrophobicContact CE1-CG 3.98Å; F347-L351 HydrophobicContact CE2-CD1 4.5Å; F347-L351 HydrophobicContact CE2-CD2 4.42Å; F347-L351 HydrophobicContact CE2-CG 4.33Å; F347-L351 HydrophobicContact CZ-CD1 3.73Å; F347-L351 HydrophobicContact CZ-CD2 4.11Å; F347-L351 HydrophobicContact CZ-CG 4Å; F347-L351 WeakPolarHBondContact O-CB 3.3Å; F347-L351 WeakPolarHBondContact O-CG 3.48Å; F347-L351 PolarHBondContact O-N 2.84Å
348S93.3Very high91.3Very high5 Ų547.6 Ų47.64%0.03525%0.254CS..Hα-helixtrans-59.9-46.4174.2177.50000111.4D23 K216 A344 S345 I346 L350 L351 W352D23-S348 PolarHBondContact OD2-OG 3.15Å; K216-S348 PolarHBondContact NZ-OG 3.22Å; A344-S348 WeakPolarHBondContact O-CB 3.37Å; A344-S348 PolarHBondContact O-N 3.38Å; S345-S348 PolarHBondContact O-N 3.5Å; I346-S348 PolarHBondContact O-N 2.85Å; S348-L350 PolarHBondContact O-N 3.42Å; S348-L351 PolarHBondContact O-N 2.95Å; S348-W352 PolarHBondContact O-N 2.96Å
349L93.4Very high90.6Very high25 Ų2549.6 Ų49.613%0.13127%0.271CS..Hα-helixtrans-58.1-47.8176.8176.664.4000111.4L213 K216 I217 I220 S345 I346 L351 W352 L353L213-L349 HydrophobicContact CD2-CD1 3.84Å; K216-L349 HydrophobicContact CB-CD1 3.85Å; I217-L349 HydrophobicContact CG1-CD1 4.47Å; I217-L349 HydrophobicContact CG1-CD2 4.12Å; I220-L349 HydrophobicContact CD1-CB 4.15Å; I220-L349 HydrophobicContact CD1-CD2 3.71Å; S345-L349 WeakPolarHBondContact O-CB 3.45Å; S345-L349 PolarHBondContact O-N 3.28Å; I346-L349 PolarHBondContact O-N 3.22Å; L349-L351 PolarHBondContact O-N 3.49Å; L349-W352 PolarHBondContact O-N 3.3Å; L349-L353 HydrophobicContact CD1-CD1 4.3Å; L349-L353 HydrophobicContact CD1-CG 4.32Å; L349-L353 HydrophobicContact CG-CD1 4.08Å; L349-L353 WeakPolarHBondContact O-CB 3.33Å; L349-L353 VanDerWaalsContact O-CG 3.31Å; L349-L353 WeakPolarHBondContact O-CG 3.33Å; L349-L353 PolarHBondContact O-N 2.86Å
350L93.2Very high90.2Very high97 Ų9751.1 Ų51.151%0.50828%0.28SS..Hα-helixtrans-61.8-43.6177.7-69.5174.5000111.8I346 F347 S348 W352 L353 V354I346-L350 HydrophobicContact CG2-CD1 4.04Å; I346-L350 HydrophobicContact CG2-CG 4.4Å; I346-L350 VanDerWaalsContact O-CG 3.31Å; I346-L350 WeakPolarHBondContact O-CG 3.17Å; I346-L350 PolarHBondContact O-N 2.86Å; F347-L350 PolarHBondContact O-N 3.24Å; S348-L350 PolarHBondContact O-N 3.42Å; L350-W352 PolarHBondContact O-N 3.09Å; L350-L353 PolarHBondContact O-N 3.38Å; L350-V354 WeakPolarHBondContact O-CB 3.31Å; L350-V354 VanDerWaalsContact O-CG2 3.31Å; L350-V354 WeakPolarHBondContact O-CG2 3.21Å; L350-V354 PolarHBondContact O-N 3.3Å
351L92.2Very high89.8Confident54 Ų5453.8 Ų53.828%0.28329%0.287SS..Hα-helixtrans-60.6-44175.4-75-178.3000111.9F347 S348 L349 V354 R355F347-L351 HydrophobicContact CD1-CD1 3.78Å; F347-L351 HydrophobicContact CD1-CG 4.29Å; F347-L351 HydrophobicContact CE1-CD1 3.31Å; F347-L351 HydrophobicContact CE1-CG 3.98Å; F347-L351 HydrophobicContact CE2-CD1 4.5Å; F347-L351 HydrophobicContact CE2-CD2 4.42Å; F347-L351 HydrophobicContact CE2-CG 4.33Å; F347-L351 HydrophobicContact CZ-CD1 3.73Å; F347-L351 HydrophobicContact CZ-CD2 4.11Å; F347-L351 HydrophobicContact CZ-CG 4Å; F347-L351 WeakPolarHBondContact O-CB 3.3Å; F347-L351 WeakPolarHBondContact O-CG 3.48Å; F347-L351 PolarHBondContact O-N 2.84Å; S348-L351 PolarHBondContact O-N 2.95Å; L349-L351 PolarHBondContact O-N 3.49Å; L351-V354 PolarHBondContact O-N 3.4Å; L351-R355 VanDerWaalsContact O-CB 3.32Å; L351-R355 WeakPolarHBondContact O-CB 3.31Å; L351-R355 WeakPolarHBondContact O-CD 3.46Å; L351-R355 WeakPolarHBondContact O-CG 3.47Å; L351-R355 PolarHBondContact O-N 2.88Å
352W90.5Very high89.5Confident1 Ų154.3 Ų54.30%0.00429%0.289CS..Hα-helixtrans-67.3-39.9177.5-82.5104.3000112.3D23 Y212 L213 S348 L349 L350 R355 M356 F402 R405 M406 I409D23-W352 PolarHBondContact OD2-NE1 3.5Å; Y212-W352 HydrophobicContact CD1-CD2 4.44Å; Y212-W352 HydrophobicContact CE1-CB 4.39Å; Y212-W352 AromaticContact CE1-CD1 3.84Å; Y212-W352 AromaticContact CE1-CD2 3.55Å; Y212-W352 HydrophobicContact CE1-CD2 3.55Å; Y212-W352 AromaticContact CE1-CE2 3.66Å; Y212-W352 HydrophobicContact CE1-CE3 4.04Å; Y212-W352 AromaticContact CE1-CG 3.69Å; Y212-W352 HydrophobicContact CE1-CG 3.69Å; Y212-W352 HydrophobicContact CE1-CZ2 4.22Å; Y212-W352 AromaticContact CE1-NE1 3.85Å; Y212-W352 AromaticContact CZ-CE2 3.91Å; Y212-W352 AromaticContact CZ-NE1 3.94Å; Y212-W352 PolarHBondContact OH-NE1 3.26Å; Y212-W352 VanDerWaalsContact OH-NE1 3.09Å; L213-W352 HydrophobicContact CD2-CB 4.28Å; S348-W352 PolarHBondContact O-N 2.96Å; L349-W352 PolarHBondContact O-N 3.3Å; L350-W352 PolarHBondContact O-N 3.09Å; W352-R355 PolarHBondContact O-N 3.09Å; W352-M356 HydrophobicContact CE3-CG 4.14Å; W352-M356 HydrophobicContact CE3-SD 4.4Å; W352-M356 HydrophobicContact CZ3-SD 4.41Å; W352-M356 WeakPolarHBondContact O-CB 3.49Å; W352-M356 VanDerWaalsContact O-CG 3.23Å; W352-M356 WeakPolarHBondContact O-CG 3.29Å; W352-M356 PolarHBondContact O-N 3.5Å; W352-F402 HydrophobicContact CE3-CD2 4.21Å; W352-F402 HydrophobicContact CE3-CE2 4.08Å; W352-F402 HydrophobicContact CH2-CD2 4.32Å; W352-F402 HydrophobicContact CH2-CE2 4.02Å; W352-F402 AromaticContact CZ3-CD2 3.6Å; W352-F402 HydrophobicContact CZ3-CD2 3.6Å; W352-F402 AromaticContact CZ3-CE2 3.59Å; W352-F402 HydrophobicContact CZ3-CE2 3.59Å; W352-R405 HydrophobicContact CH2-CB 4.41Å; W352-R405 HydrophobicContact CZ3-CB 4.43Å; W352-M406 HydrophobicContact CH2-CE 3.59Å; W352-M406 HydrophobicContact CH2-CG 4.3Å; W352-M406 HydrophobicContact CH2-SD 3.82Å; W352-M406 HydrophobicContact CZ2-CE 3.62Å; W352-M406 HydrophobicContact CZ2-SD 4.01Å; W352-M406 HydrophobicContact CZ3-CE 4.43Å; W352-I409 HydrophobicContact CH2-CD1 3.98Å; W352-I409 HydrophobicContact CZ2-CD1 3.73Å
353L89.7Confident89.2Confident57 Ų5754.7 Ų54.730%0.29829%0.29SS..Hα-helixtrans-57.5-52.8171.5-73.7170.8000110.3L213 L349 L350 R355 M356 V357L213-L353 HydrophobicContact CD1-CD2 3.86Å; L213-L353 HydrophobicContact CD2-CD2 3.94Å; L213-L353 HydrophobicContact CD2-CG 4.2Å; L349-L353 HydrophobicContact CD1-CD1 4.3Å; L349-L353 HydrophobicContact CD1-CG 4.32Å; L349-L353 HydrophobicContact CG-CD1 4.08Å; L349-L353 WeakPolarHBondContact O-CB 3.33Å; L349-L353 VanDerWaalsContact O-CG 3.31Å; L349-L353 WeakPolarHBondContact O-CG 3.33Å; L349-L353 PolarHBondContact O-N 2.86Å; L350-L353 PolarHBondContact O-N 3.38Å; L353-R355 VanDerWaalsContact C-N 3.32Å; L353-R355 PolarHBondContact O-N 3.48Å; L353-M356 PolarHBondContact O-N 2.9Å; L353-V357 HydrophobicContact CB-CG2 4.28Å; L353-V357 HydrophobicContact CD2-CG2 4.29Å; L353-V357 WeakPolarHBondContact O-CB 3.38Å; L353-V357 WeakPolarHBondContact O-CG2 3.34Å; L353-V357 PolarHBondContact O-N 3.13Å
354V89.7Confident88.9Confident70 Ų7056 Ų5642%0.42429%0.288SS..Hα-helixtrans-57.3-43.5177.7169.40000111.8L350 L351 M356 I358L350-V354 WeakPolarHBondContact O-CB 3.31Å; L350-V354 VanDerWaalsContact O-CG2 3.31Å; L350-V354 WeakPolarHBondContact O-CG2 3.21Å; L350-V354 PolarHBondContact O-N 3.3Å; L351-V354 PolarHBondContact O-N 3.4Å; V354-M356 VanDerWaalsContact C-N 3.35Å; V354-M356 PolarHBondContact O-N 2.83Å; V354-I358 HydrophobicContact CB-CD1 4.43Å; V354-I358 HydrophobicContact CG1-CD1 3.78Å; V354-I358 VanDerWaalsContact O-CB 3.31Å; V354-I358 WeakPolarHBondContact O-CB 3.28Å; V354-I358 WeakPolarHBondContact O-CG1 3.26Å; V354-I358 PolarHBondContact O-N 3.31Å
355R88.1Confident88.6Confident79 Ų7956.9 Ų56.930%0.29829%0.289SS..Hα-helixtrans-66.7-32-179.5-74.6168.8-178.8176.11.7113.5L351 W352 L353 R405L351-R355 VanDerWaalsContact O-CB 3.32Å; L351-R355 WeakPolarHBondContact O-CB 3.31Å; L351-R355 WeakPolarHBondContact O-CD 3.46Å; L351-R355 WeakPolarHBondContact O-CG 3.47Å; L351-R355 PolarHBondContact O-N 2.88Å; W352-R355 PolarHBondContact O-N 3.09Å; L353-R355 VanDerWaalsContact C-N 3.32Å; L353-R355 PolarHBondContact O-N 3.48Å; R355-R405 PolarHBondContact O-NH2 2.71Å
356M83.8Confident88.4Confident8 Ų856.7 Ų56.74%0.03929%0.287CS..Hα-helixtrans-100-36.3-173.7-62.8-51.8-56.400113.7V209 W352 L353 V354 F402V209-M356 HydrophobicContact CB-CE 4.3Å; V209-M356 HydrophobicContact CG1-CB 4.08Å; V209-M356 HydrophobicContact CG1-CE 3.84Å; V209-M356 HydrophobicContact CG1-CG 4.03Å; V209-M356 HydrophobicContact CG2-CE 3.42Å; V209-M356 VanDerWaalsContact CG2-CE 3.42Å; W352-M356 HydrophobicContact CE3-CG 4.14Å; W352-M356 HydrophobicContact CE3-SD 4.4Å; W352-M356 HydrophobicContact CZ3-SD 4.41Å; W352-M356 WeakPolarHBondContact O-CB 3.49Å; W352-M356 VanDerWaalsContact O-CG 3.23Å; W352-M356 WeakPolarHBondContact O-CG 3.29Å; W352-M356 PolarHBondContact O-N 3.5Å; L353-M356 PolarHBondContact O-N 2.9Å; V354-M356 VanDerWaalsContact C-N 3.35Å; V354-M356 PolarHBondContact O-N 2.83Å; M356-F402 HydrophobicContact CE-CB 3.74Å; M356-F402 HydrophobicContact CE-CD2 4.42Å; M356-F402 HydrophobicContact SD-CB 4.25Å; M356-F402 HydrophobicContact SD-CD2 4.17Å
357V82.4Confident88Confident73 Ų7354.4 Ų54.444%0.44227%0.274SS..Hα-helixtrans-73.8-45.8-179.7-177.30000110.9I197 L353 A359I197-V357 HydrophobicContact CD1-CB 3.78Å; I197-V357 HydrophobicContact CD1-CG1 3.85Å; I197-V357 HydrophobicContact CD1-CG2 3.11Å; L353-V357 HydrophobicContact CB-CG2 4.28Å; L353-V357 HydrophobicContact CD2-CG2 4.29Å; L353-V357 WeakPolarHBondContact O-CB 3.38Å; L353-V357 WeakPolarHBondContact O-CG2 3.34Å; L353-V357 PolarHBondContact O-N 3.13Å; V357-A359 PolarHBondContact O-N 3.09Å
358I84.9Confident87.7Confident65 Ų6554.9 Ų54.933%0.33327%0.272SS..  trans-78.298.4-171-56.7-175.2000109.4V354 P360 R361 R362V354-I358 HydrophobicContact CB-CD1 4.43Å; V354-I358 HydrophobicContact CG1-CD1 3.78Å; V354-I358 VanDerWaalsContact O-CB 3.31Å; V354-I358 WeakPolarHBondContact O-CB 3.28Å; V354-I358 WeakPolarHBondContact O-CG1 3.26Å; V354-I358 PolarHBondContact O-N 3.31Å; I358-P360 HydrophobicContact CG2-CG 3.6Å; I358-R361 HydrophobicContact CB-CB 4.17Å; I358-R361 HydrophobicContact CB-CG 4.15Å; I358-R361 HydrophobicContact CG2-CB 4.01Å; I358-R361 HydrophobicContact CG2-CG 3.65Å; I358-R361 PolarHBondContact O-N 2.84Å; I358-R361 VanDerWaalsContact O-N 3.15Å; I358-R362 PolarHBondContact O-N 3.34Å
359A78.8Confident87.4Confident42 Ų4254.8 Ų54.835%0.34727%0.271SS..Hα-helixtrans-48.3-46.4179.200000114.6V357 R361 R362 K363V357-A359 PolarHBondContact O-N 3.09Å; A359-R361 PolarHBondContact O-N 2.82Å; A359-R362 WeakPolarHBondContact O-CB 3.4Å; A359-R362 PolarHBondContact O-N 3.4Å; A359-K363 WeakPolarHBondContact O-CG 3.16Å; A359-K363 PolarHBondContact O-N 3.41Å
360P82.9Confident86.9Confident77 Ų7753.9 Ų53.950%0.527%0.266SS..Hα-helixtrans-64.1-43179.520.7-30.6000112.3I358 R362 K363 D364I358-P360 HydrophobicContact CG2-CG 3.6Å; P360-R362 VanDerWaalsContact C-N 3.29Å; P360-R362 PolarHBondContact O-N 3.02Å; P360-K363 PolarHBondContact O-N 3.38Å; P360-D364 VanDerWaalsContact O-CB 3.32Å; P360-D364 WeakPolarHBondContact O-CB 3.4Å; P360-D364 PolarHBondContact O-N 3.32Å
361R84.6Confident86.3Confident164 Ų16458.1 Ų58.162%0.61928%0.276SS*.Hα-helixtrans-64-34.2176.8-67.1-69.7-173.7126.81.2112.5I358 A359 F365 R405I358-R361 HydrophobicContact CB-CB 4.17Å; I358-R361 HydrophobicContact CB-CG 4.15Å; I358-R361 HydrophobicContact CG2-CB 4.01Å; I358-R361 HydrophobicContact CG2-CG 3.65Å; I358-R361 PolarHBondContact O-N 2.84Å; I358-R361 VanDerWaalsContact O-N 3.15Å; A359-R361 PolarHBondContact O-N 2.82Å; R361-F365 WeakPolarHBondContact O-CB 3.37Å; R361-F365 PolarHBondContact O-N 3.15Å; R361-R405 PolarHBondContact O-NH2 3.21Å
362R87.9Confident85.6Confident14 Ų1460.6 Ų60.65%0.05329%0.288CS..Hα-helixtrans-63.8-50.8173.4-173.7-178.467-123.63.3110.6I358 A359 P360 D393 V401I358-R362 PolarHBondContact O-N 3.34Å; A359-R362 WeakPolarHBondContact O-CB 3.4Å; A359-R362 PolarHBondContact O-N 3.4Å; P360-R362 VanDerWaalsContact C-N 3.29Å; P360-R362 PolarHBondContact O-N 3.02Å; R362-D393 IonicContact CZ-OD1 3.42Å; R362-D393 IonicContact NH2-OD1 2.64Å; R362-D393 PolarHBondContact NH2-OD1 3.38Å; R362-V401 HydrophobicContact CG-CB 4.02Å; R362-V401 HydrophobicContact CG-CG1 3.45Å; R362-V401 VanDerWaalsContact CG-CG1 3.45Å; R362-V401 HydrophobicContact CG-CG2 4.08Å
363K87Confident84.7Confident32 Ų3264.2 Ų64.214%0.13930%0.304CS..Hα-helixtrans-62.1-53.9-180-73.8-179.5171-171.80110.8A359 P360 F365 I366 K367 D389 I392 D393A359-K363 WeakPolarHBondContact O-CG 3.16Å; A359-K363 PolarHBondContact O-N 3.41Å; P360-K363 PolarHBondContact O-N 3.38Å; K363-F365 PolarHBondContact O-N 2.88Å; K363-F365 VanDerWaalsContact O-N 3.12Å; K363-I366 PolarHBondContact O-N 3.31Å; K363-K367 VanDerWaalsContact O-CG 3.23Å; K363-K367 WeakPolarHBondContact O-CG 3.3Å; K363-K367 PolarHBondContact O-N 3.45Å; K363-D389 IonicContact NZ-OD1 3Å; K363-D389 IonicContact NZ-OD2 2.71Å; K363-D389 PolarHBondContact NZ-OD2 3.28Å; K363-I392 HydrophobicContact CB-CD1 4.19Å; K363-I392 HydrophobicContact CG-CD1 4.2Å; K363-I392 HydrophobicContact CG-CG2 4Å; K363-D393 WeakPolarHBondContact CE-OD1 3.33Å; K363-D393 WeakPolarHBondContact CE-OD2 3.37Å; K363-D393 IonicContact NZ-OD2 2.64Å; K363-D393 PolarHBondContact NZ-OD2 3.11Å
364D87.1Confident83.5Confident87 Ų8764 Ų6447%0.46532%0.316SS..Hα-helixtrans-54.5-34.8-177.8-69.4-22.6000113.2P360 K367 R368P360-D364 VanDerWaalsContact O-CB 3.32Å; P360-D364 WeakPolarHBondContact O-CB 3.4Å; P360-D364 PolarHBondContact O-N 3.32Å; D364-K367 PolarHBondContact O-N 3.22Å; D364-R368 WeakPolarHBondContact O-CB 3.18Å; D364-R368 PolarHBondContact O-N 3.37Å
365F89Confident82.3Confident38 Ų3862.7 Ų62.717%0.16731%0.306CS..Hα-helixtrans-60.6-46175.3176.9-103000112.4R361 K363 R368 F369 V404 R405 A408R361-F365 WeakPolarHBondContact O-CB 3.37Å; R361-F365 PolarHBondContact O-N 3.15Å; K363-F365 PolarHBondContact O-N 2.88Å; K363-F365 VanDerWaalsContact O-N 3.12Å; F365-R368 WeakPolarHBondContact O-CB 3.36Å; F365-R368 PolarHBondContact O-N 3.37Å; F365-F369 HydrophobicContact CD1-CE2 4.22Å; F365-F369 HydrophobicContact CD2-CE2 4.36Å; F365-F369 HydrophobicContact CE1-CD2 4.42Å; F365-F369 AromaticContact CE1-CE2 3.64Å; F365-F369 HydrophobicContact CE1-CE2 3.64Å; F365-F369 AromaticContact CE2-CE2 3.79Å; F365-F369 HydrophobicContact CE2-CE2 3.79Å; F365-F369 HydrophobicContact CE2-CZ 4.12Å; F365-F369 AromaticContact CZ-CE2 3.41Å; F365-F369 HydrophobicContact CZ-CE2 3.41Å; F365-F369 VanDerWaalsContact CZ-CE2 3.41Å; F365-F369 AromaticContact CZ-CZ 3.93Å; F365-F369 HydrophobicContact CZ-CZ 3.93Å; F365-F369 WeakPolarHBondContact O-CD2 3.49Å; F365-V404 HydrophobicContact CE1-CG1 4.2Å; F365-R405 HydrophobicContact CD1-CG 3.74Å; F365-R405 HydrophobicContact CE1-CB 4.2Å; F365-R405 HydrophobicContact CE1-CG 3.24Å; F365-R405 HydrophobicContact CE2-CG 4.44Å; F365-R405 HydrophobicContact CG-CG 4.49Å; F365-R405 HydrophobicContact CZ-CB 4.36Å; F365-R405 HydrophobicContact CZ-CG 3.64Å; F365-A408 HydrophobicContact CZ-CB 3.98Å
366I89.2Confident80.8Confident0 Ų068.6 Ų68.60%033%0.328CS..Hα-helixtrans-71.1-41.1175.7-57.8-60.2000110.6K363 R368 F369 L370 F391 I392 L396 V401 V404 V420K363-I366 PolarHBondContact O-N 3.31Å; I366-R368 PolarHBondContact O-N 3.32Å; I366-F369 PolarHBondContact O-N 3.21Å; I366-F369 VanDerWaalsContact O-N 3.1Å; I366-L370 HydrophobicContact CG2-CD1 4.18Å; I366-L370 PolarHBondContact O-N 3.19Å; I366-F391 HydrophobicContact CG2-CE1 4.19Å; I366-I392 HydrophobicContact CB-CD1 3.97Å; I366-I392 HydrophobicContact CB-CG1 4.16Å; I366-I392 HydrophobicContact CG2-CD1 4.12Å; I366-I392 HydrophobicContact CG2-CG1 3.98Å; I366-L396 HydrophobicContact CD1-CD2 3.92Å; I366-L396 HydrophobicContact CG1-CD2 4.12Å; I366-V401 HydrophobicContact CD1-CG1 4.2Å; I366-V401 HydrophobicContact CD1-CG2 4.43Å; I366-V401 HydrophobicContact CG1-CG1 4.19Å; I366-V401 HydrophobicContact CG1-CG2 4.1Å; I366-V404 HydrophobicContact CD1-CB 4.24Å; I366-V404 HydrophobicContact CD1-CG1 3.8Å; I366-V420 HydrophobicContact CG2-CG1 4.23Å
367K86.4Confident79.3Confident23 Ų2369.2 Ų69.210%0.133%0.333CS..Hα-helixtrans-56.9-36177-50.5-157170.91740111.4K363 D364 L370 R371 L388 D389 I392K363-K367 VanDerWaalsContact O-CG 3.23Å; K363-K367 WeakPolarHBondContact O-CG 3.3Å; K363-K367 PolarHBondContact O-N 3.45Å; D364-K367 PolarHBondContact O-N 3.22Å; K367-L370 PolarHBondContact O-N 3.17Å; K367-R371 WeakPolarHBondContact O-CB 3.3Å; K367-R371 VanDerWaalsContact O-CG 3.29Å; K367-R371 WeakPolarHBondContact O-CG 3.23Å; K367-R371 PolarHBondContact O-N 3.38Å; K367-L388 HydrophobicContact CB-CD2 4.06Å; K367-L388 HydrophobicContact CD-CD2 3.52Å; K367-L388 HydrophobicContact CD-CG 4.31Å; K367-L388 HydrophobicContact CG-CD2 3.48Å; K367-L388 VanDerWaalsContact CG-CD2 3.48Å; K367-L388 HydrophobicContact CG-CG 4.19Å; K367-D389 WeakPolarHBondContact CE-OD1 3.15Å; K367-D389 IonicContact NZ-OD1 3Å; K367-D389 PolarHBondContact NZ-OD1 2.79Å; K367-I392 HydrophobicContact CG-CD1 4.38Å
368R87.1Confident77.7Confident142 Ų14273.1 Ų73.154%0.53634%0.34SS..Hα-helixtrans-59.6-45.3177.1-176.7-179176.2-153.6-4112.1D364 F365 I366 R371 I372D364-R368 WeakPolarHBondContact O-CB 3.18Å; D364-R368 PolarHBondContact O-N 3.37Å; F365-R368 WeakPolarHBondContact O-CB 3.36Å; F365-R368 PolarHBondContact O-N 3.37Å; I366-R368 PolarHBondContact O-N 3.32Å; R368-R371 PolarHBondContact O-N 3.37Å; R368-I372 HydrophobicContact CG-CD1 4.01Å; R368-I372 WeakPolarHBondContact O-CD1 3.37Å; R368-I372 VanDerWaalsContact O-CG1 3.24Å; R368-I372 WeakPolarHBondContact O-CG1 3.38Å; R368-I372 PolarHBondContact O-N 3.45Å; R368-I372 VanDerWaalsContact O-N 3.12Å
369F87Confident76.1Confident2 Ų274.3 Ų74.31%0.00935%0.35CS..Hα-helixtrans-67-41.7-179.4-71.2-59.6000112.8F365 I366 I372 A408 D413 T416 V420F365-F369 HydrophobicContact CD1-CE2 4.22Å; F365-F369 HydrophobicContact CD2-CE2 4.36Å; F365-F369 HydrophobicContact CE1-CD2 4.42Å; F365-F369 AromaticContact CE1-CE2 3.64Å; F365-F369 HydrophobicContact CE1-CE2 3.64Å; F365-F369 AromaticContact CE2-CE2 3.79Å; F365-F369 HydrophobicContact CE2-CE2 3.79Å; F365-F369 HydrophobicContact CE2-CZ 4.12Å; F365-F369 AromaticContact CZ-CE2 3.41Å; F365-F369 HydrophobicContact CZ-CE2 3.41Å; F365-F369 VanDerWaalsContact CZ-CE2 3.41Å; F365-F369 AromaticContact CZ-CZ 3.93Å; F365-F369 HydrophobicContact CZ-CZ 3.93Å; F365-F369 WeakPolarHBondContact O-CD2 3.49Å; I366-F369 PolarHBondContact O-N 3.21Å; I366-F369 VanDerWaalsContact O-N 3.1Å; F369-I372 PolarHBondContact O-N 2.61Å; F369-A408 HydrophobicContact CZ-CB 4.23Å; F369-D413 HydrophobicContact CE1-CB 4.03Å; F369-D413 WeakPolarHBondContact CE1-O 3.4Å; F369-T416 HydrophobicContact CE2-CG2 4.24Å; F369-T416 HydrophobicContact CZ-CG2 4.2Å; F369-V420 HydrophobicContact CB-CB 4.37Å; F369-V420 HydrophobicContact CB-CG1 4.19Å; F369-V420 HydrophobicContact CD2-CG2 4.49Å
370L83.6Confident75Confident6 Ų675 Ų753%0.03136%0.361CS..Hα-helixtrans-67.7-36.3178.6-64.5170.5000111.9I366 K367 G374 I375 L388 V420 Y424I366-L370 HydrophobicContact CG2-CD1 4.18Å; I366-L370 PolarHBondContact O-N 3.19Å; K367-L370 PolarHBondContact O-N 3.17Å; L370-G374 PolarHBondContact O-N 3.47Å; L370-I375 HydrophobicContact CD2-CD1 3.53Å; L370-L388 HydrophobicContact CD1-CD1 3.3Å; L370-V420 HydrophobicContact CD2-CG1 3.84Å; L370-V420 HydrophobicContact CG-CG1 4.05Å; L370-Y424 HydrophobicContact CD2-CD1 4.39Å; L370-Y424 HydrophobicContact CD2-CG 4.09Å
371R81Confident73.7Confident187 Ų18777.7 Ų77.771%0.70637%0.367SS*.Hα-helixtrans-65.9-41174.6-76.9-179.5-175.4175.33.4113.1K367 R368 K373 G374K367-R371 WeakPolarHBondContact O-CB 3.3Å; K367-R371 VanDerWaalsContact O-CG 3.29Å; K367-R371 WeakPolarHBondContact O-CG 3.23Å; K367-R371 PolarHBondContact O-N 3.38Å; R368-R371 PolarHBondContact O-N 3.37Å; R371-K373 PolarHBondContact O-N 3.34Å; R371-G374 PolarHBondContact O-N 3.35Å; R371-G374 VanDerWaalsContact O-N 3.08Å
372I76Confident72.6Confident105 Ų10578.5 Ų78.554%0.53838%0.378SS..Hα-helixtrans-58.6-36.3-177.8-74.5163.8000111.5R368 F369R368-I372 HydrophobicContact CG-CD1 4.01Å; R368-I372 WeakPolarHBondContact O-CD1 3.37Å; R368-I372 VanDerWaalsContact O-CG1 3.24Å; R368-I372 WeakPolarHBondContact O-CG1 3.38Å; R368-I372 PolarHBondContact O-N 3.45Å; R368-I372 VanDerWaalsContact O-N 3.12Å; F369-I372 PolarHBondContact O-N 2.61Å
373K72.1Confident71.6Confident78 Ų7879.7 Ų79.734%0.33939%0.385SS..THydrogen-bonded Turntrans-90.90.8-178.5-68.2-79.8-168.1170.50114R371 I375 S417 E418 M421R371-K373 PolarHBondContact O-N 3.34Å; K373-I375 VanDerWaalsContact C-N 3.34Å; K373-I375 PolarHBondContact O-N 3.16Å; K373-S417 WeakPolarHBondContact CE-OG 3.47Å; K373-E418 VanDerWaalsContact NZ-CG 3.32Å; K373-E418 IonicContact NZ-OE1 2.69Å; K373-E418 PolarHBondContact NZ-OE1 3.06Å; K373-M421 HydrophobicContact CB-CE 4.19Å; K373-M421 HydrophobicContact CB-CG 3.89Å; K373-M421 HydrophobicContact CB-SD 3.13Å; K373-M421 WeakPolarHBondContact CB-SD 3.28Å; K373-M421 HydrophobicContact CD-CE 3.51Å; K373-M421 HydrophobicContact CD-SD 3.68Å; K373-M421 HydrophobicContact CG-CE 3.72Å; K373-M421 HydrophobicContact CG-CG 3.89Å; K373-M421 HydrophobicContact CG-SD 3.3Å; K373-M421 WeakPolarHBondContact CG-SD 3.39Å
374G66Low70.8Confident53 Ų5381.6 Ų81.655%0.54640%0.399SS..THydrogen-bonded Turntrans64.234.7171.900000114L370 R371 R376L370-G374 PolarHBondContact O-N 3.47Å; R371-G374 PolarHBondContact O-N 3.35Å; R371-G374 VanDerWaalsContact O-N 3.08Å; G374-R376 PolarHBondContact O-N 2.95Å
375I62.8Low70.3Confident42 Ų4287 Ų8722%0.21541%0.413CS..  trans-62.5114.1177.4-60.6166.1000108.3L370 K373 I383 M421 Y424L370-I375 HydrophobicContact CD2-CD1 3.53Å; K373-I375 VanDerWaalsContact C-N 3.34Å; K373-I375 PolarHBondContact O-N 3.16Å; I375-I383 HydrophobicContact CB-CD1 4.23Å; I375-I383 HydrophobicContact CG2-CD1 4.03Å; I375-I383 WeakPolarHBondContact O-CD1 3.36Å; I375-M421 HydrophobicContact CD1-CB 4.17Å; I375-M421 HydrophobicContact CD1-CG 3.66Å; I375-M421 HydrophobicContact CD1-SD 4.21Å; I375-M421 HydrophobicContact CG1-CG 4.4Å; I375-M421 HydrophobicContact CG1-SD 4.33Å; I375-Y424 HydrophobicContact CD1-CD1 4.19Å; I375-Y424 HydrophobicContact CG2-CD1 4.19Å; I375-Y424 HydrophobicContact CG2-CE1 3.99Å
376R56.7Low69.9Low203 Ų20388.3 Ų88.377%0.76643%0.431SS*.  trans-78.2139.4166.2-70.4178.7179.5167.2-0.9107.5G374G374-R376 PolarHBondContact O-N 2.95Å
377S53.8Low69.4Low20 Ų2091.2 Ų91.214%0.1445%0.447CS..  trans-58.4158.5169.7-168.40000109.7T379 G380 Q381S377-T379 PolarHBondContact O-N 3.28Å; S377-G380 PolarHBondContact O-N 2.72Å; S377-Q381 WeakPolarHBondContact CB-O 3.19Å; S377-Q381 PolarHBondContact N-O 3.44Å
378R47.8Very low69.2Low156 Ų15691 Ų9159%0.58945%0.446SS*.THydrogen-bonded Turntrans-37.7-34.9178153.5162.360.2168.6142.5115.2Y432R378-Y432 WeakPolarHBondContact CB-OH 3.41Å; R378-Y432 WeakPolarHBondContact CD-OH 3.48Å; R378-Y432 HydrophobicContact CG-CE1 4.35Å; R378-Y432 WeakPolarHBondContact CG-OH 3.47Å; R378-Y432 PolarHBondContact NE-OH 3.35Å; R378-Y432 PolarHBondContact NH1-OH 3.24Å
379T51Low69.1Low90 Ų9086.4 Ų86.455%0.55243%0.433SS*.THydrogen-bonded Turntrans-96.18.2-174.239.70000114.4S377 Q381S377-T379 PolarHBondContact O-N 3.28Å; T379-Q381 PolarHBondContact O-N 2.96Å; T379-Q381 PolarHBondContact OG1-OE1 3.31Å
380G55.8Low69Low56 Ų5690.6 Ų90.658%0.57745%0.452SS*.SBendtrans70.81.1-167.700000113.2S377S377-G380 PolarHBondContact O-N 2.72Å
381Q55.7Low69.1Low133 Ų13390.3 Ų90.362%0.62145%0.451SS*.SBendtrans-84.7161.2171.9-70.5174.8-42.900110.8S377 T379S377-Q381 WeakPolarHBondContact CB-O 3.19Å; S377-Q381 PolarHBondContact N-O 3.44Å; T379-Q381 PolarHBondContact O-N 2.96Å; T379-Q381 PolarHBondContact OG1-OE1 3.31Å
382E61.5Low69.4Low182 Ų18281.4 Ų81.485%0.8542%0.417SS*.PPolyproline II helixtrans-63.6136173.7-60.8-174157.300110T384E382-T384 PolarHBondContact O-N 3.01Å
383I66.3Low69.8Low38 Ų3879.3 Ų79.320%0.19541%0.407CS..PPolyproline II helixtrans-54122.5176.1-63.5170.3000108.7I375 L388 Y424I375-I383 HydrophobicContact CB-CD1 4.23Å; I375-I383 HydrophobicContact CG2-CD1 4.03Å; I375-I383 WeakPolarHBondContact O-CD1 3.36Å; I383-L388 HydrophobicContact CG2-CB 4.15Å; I383-Y424 HydrophobicContact CD1-CE1 4.09Å
384T71.3Confident70.2Confident72 Ų7280.7 Ų80.744%0.44242%0.418SS..PPolyproline II helixtrans-67.7146.8178.476.10000109.2E382 A386 D387 L388E382-T384 PolarHBondContact O-N 3.01Å; T384-A386 PolarHBondContact O-N 3.29Å; T384-A386 VanDerWaalsContact O-N 3.15Å; T384-D387 PolarHBondContact O-N 3.49Å; T384-D387 PolarHBondContact OG1-N 2.88Å; T384-D387 PolarHBondContact OG1-OD1 2.82Å; T384-D387 PolarHBondContact OG1-OD2 2.05Å; T384-L388 PolarHBondContact O-N 3.34Å
385R76.9Confident71.1Confident201 Ų20179.1 Ų79.176%0.75840%0.396SS*.Hα-helixtrans-61.2-24.1178.5-68.1-176.4-179.8-178.91.5112.4D389R385-D389 WeakPolarHBondContact O-CB 3.36Å; R385-D389 PolarHBondContact O-N 2.94Å; R385-D389 VanDerWaalsContact O-N 3.16Å
386A79.2Confident72.3Confident66 Ų6677.1 Ų77.155%0.54539%0.386SS..Hα-helixtrans-70.6-51.4179.400000111.4T384 L388 D389 E390T384-A386 PolarHBondContact O-N 3.29Å; T384-A386 VanDerWaalsContact O-N 3.15Å; A386-L388 PolarHBondContact O-N 3.32Å; A386-D389 PolarHBondContact O-N 2.68Å; A386-E390 PolarHBondContact O-N 3.45Å
387D79.7Confident73.6Confident61 Ų6170.7 Ų70.733%0.32636%0.361SS..Hα-helixtrans-58.3-38.9-179.8-49.9-32.7000111.5T384 E390 F391T384-D387 PolarHBondContact O-N 3.49Å; T384-D387 PolarHBondContact OG1-N 2.88Å; T384-D387 PolarHBondContact OG1-OD1 2.82Å; T384-D387 PolarHBondContact OG1-OD2 2.05Å; D387-E390 PolarHBondContact O-N 3.17Å; D387-F391 PolarHBondContact O-N 2.77Å
388L83.1Confident75.1Confident17 Ų1771.9 Ų71.99%0.08936%0.363CS..Hα-helixtrans-72.2-33.8178.8-176.453.7000112.7K367 L370 I383 T384 A386 F391 I392K367-L388 HydrophobicContact CB-CD2 4.06Å; K367-L388 HydrophobicContact CD-CD2 3.52Å; K367-L388 HydrophobicContact CD-CG 4.31Å; K367-L388 HydrophobicContact CG-CD2 3.48Å; K367-L388 VanDerWaalsContact CG-CD2 3.48Å; K367-L388 HydrophobicContact CG-CG 4.19Å; L370-L388 HydrophobicContact CD1-CD1 3.3Å; I383-L388 HydrophobicContact CG2-CB 4.15Å; T384-L388 PolarHBondContact O-N 3.34Å; A386-L388 PolarHBondContact O-N 3.32Å; L388-F391 HydrophobicContact CD1-CD1 4.25Å; L388-I392 HydrophobicContact CD1-CD1 3.92Å; L388-I392 HydrophobicContact CD1-CG1 4.29Å; L388-I392 HydrophobicContact CG-CD1 3.94Å; L388-I392 WeakPolarHBondContact O-CB 3.35Å; L388-I392 WeakPolarHBondContact O-CD1 3.38Å; L388-I392 WeakPolarHBondContact O-CG1 3.12Å; L388-I392 PolarHBondContact O-N 3.38Å; L388-I392 VanDerWaalsContact O-N 3.09Å
389D83.8Confident76.9Confident46 Ų4664.9 Ų64.925%0.24634%0.337CS..Hα-helixtrans-71.6-35.8176-81.313.9000110.9K363 K367 R385 A386 I392 D393K363-D389 IonicContact NZ-OD1 3Å; K363-D389 IonicContact NZ-OD2 2.71Å; K363-D389 PolarHBondContact NZ-OD2 3.28Å; K367-D389 WeakPolarHBondContact CE-OD1 3.15Å; K367-D389 IonicContact NZ-OD1 3Å; K367-D389 PolarHBondContact NZ-OD1 2.79Å; R385-D389 WeakPolarHBondContact O-CB 3.36Å; R385-D389 PolarHBondContact O-N 2.94Å; R385-D389 VanDerWaalsContact O-N 3.16Å; A386-D389 PolarHBondContact O-N 2.68Å; D389-I392 PolarHBondContact O-N 2.75Å; D389-D393 WeakPolarHBondContact O-CB 3.11Å; D389-D393 PolarHBondContact O-N 2.97Å
390E84.3Confident78.7Confident91 Ų9160.6 Ų60.643%0.42531%0.311SS..Hα-helixtrans-62.9-48.5171.8-168.4-175.2146.600111.5A386 D387 I392 D393 D394 Y395 Y427A386-E390 PolarHBondContact O-N 3.45Å; D387-E390 PolarHBondContact O-N 3.17Å; E390-I392 VanDerWaalsContact C-N 3.29Å; E390-I392 PolarHBondContact O-N 3.28Å; E390-D393 PolarHBondContact O-N 2.93Å; E390-D394 HydrophobicContact CG-CB 4.49Å; E390-D394 WeakPolarHBondContact O-CB 3.47Å; E390-D394 PolarHBondContact O-N 2.79Å; E390-Y395 PolarHBondContact O-N 3.3Å; E390-Y427 WeakPolarHBondContact CG-OH 3.27Å; E390-Y427 PolarHBondContact OE1-OH 2.94Å
391F86.7Confident80.3Confident0 Ų058 Ų580%028%0.284CS..Iπ-helixtrans-55.6-43.5174172.7-109.4000112.3I366 D387 L388 Y395 L396 L423 Y424 Y427I366-F391 HydrophobicContact CG2-CE1 4.19Å; D387-F391 PolarHBondContact O-N 2.77Å; L388-F391 HydrophobicContact CD1-CD1 4.25Å; F391-Y395 AromaticContact CD2-CD1 3.67Å; F391-Y395 HydrophobicContact CD2-CD1 3.67Å; F391-Y395 HydrophobicContact CD2-CE1 4.45Å; F391-Y395 HydrophobicContact CD2-CG 4.22Å; F391-Y395 AromaticContact CE2-CD1 3.42Å; F391-Y395 HydrophobicContact CE2-CD1 3.42Å; F391-Y395 VanDerWaalsContact CE2-CD1 3.42Å; F391-Y395 AromaticContact CE2-CE1 3.85Å; F391-Y395 HydrophobicContact CE2-CE1 3.85Å; F391-Y395 HydrophobicContact CE2-CG 4.38Å; F391-Y395 HydrophobicContact CZ-CD1 4.43Å; F391-Y395 WeakPolarHBondContact O-CB 3.22Å; F391-Y395 PolarHBondContact O-N 3.29Å; F391-L396 WeakPolarHBondContact O-CB 3.46Å; F391-L396 PolarHBondContact O-N 2.86Å; F391-L423 HydrophobicContact CZ-CB 4.22Å; F391-Y424 HydrophobicContact CB-CD2 4.39Å; F391-Y424 HydrophobicContact CB-CE2 4.31Å; F391-Y424 AromaticContact CD1-CD2 3.94Å; F391-Y424 HydrophobicContact CD1-CD2 3.94Å; F391-Y424 AromaticContact CD2-CD2 3.91Å; F391-Y424 HydrophobicContact CD2-CD2 3.91Å; F391-Y424 HydrophobicContact CE1-CD2 4.16Å; F391-Y424 HydrophobicContact CE2-CD2 4.11Å; F391-Y424 AromaticContact CG-CD2 3.81Å; F391-Y424 HydrophobicContact CG-CD2 3.81Å; F391-Y424 HydrophobicContact CG-CE2 4.23Å; F391-Y424 HydrophobicContact CZ-CD2 4.23Å; F391-Y427 HydrophobicContact CB-CD1 4.11Å; F391-Y427 HydrophobicContact CB-CE1 3.9Å; F391-Y427 AromaticContact CD2-CD1 3.62Å; F391-Y427 HydrophobicContact CD2-CD1 3.62Å; F391-Y427 HydrophobicContact CD2-CD2 4.2Å; F391-Y427 HydrophobicContact CD2-CE1 4.24Å; F391-Y427 AromaticContact CD2-CG 3.59Å; F391-Y427 HydrophobicContact CD2-CG 3.59Å; F391-Y427 HydrophobicContact CE2-CD1 4.5Å; F391-Y427 HydrophobicContact CE2-CG 4.22Å; F391-Y427 HydrophobicContact CG-CD1 4.26Å
392I87.3Confident82Confident0 Ų051.6 Ų51.60%025%0.254CS..Iπ-helixtrans-75.4-45-176.3-66.2164.8000111.9K363 I366 K367 L388 D389 E390 R397 V401K363-I392 HydrophobicContact CB-CD1 4.19Å; K363-I392 HydrophobicContact CG-CD1 4.2Å; K363-I392 HydrophobicContact CG-CG2 4Å; I366-I392 HydrophobicContact CB-CD1 3.97Å; I366-I392 HydrophobicContact CB-CG1 4.16Å; I366-I392 HydrophobicContact CG2-CD1 4.12Å; I366-I392 HydrophobicContact CG2-CG1 3.98Å; K367-I392 HydrophobicContact CG-CD1 4.38Å; L388-I392 HydrophobicContact CD1-CD1 3.92Å; L388-I392 HydrophobicContact CD1-CG1 4.29Å; L388-I392 HydrophobicContact CG-CD1 3.94Å; L388-I392 WeakPolarHBondContact O-CB 3.35Å; L388-I392 WeakPolarHBondContact O-CD1 3.38Å; L388-I392 WeakPolarHBondContact O-CG1 3.12Å; L388-I392 PolarHBondContact O-N 3.38Å; L388-I392 VanDerWaalsContact O-N 3.09Å; D389-I392 PolarHBondContact O-N 2.75Å; E390-I392 VanDerWaalsContact C-N 3.29Å; E390-I392 PolarHBondContact O-N 3.28Å; I392-R397 PolarHBondContact O-N 3.38Å; I392-V401 HydrophobicContact CG2-CG2 4.11Å
393D83.7Confident83.3Confident60 Ų6043.1 Ų43.132%0.32121%0.214SC..Iπ-helixtrans-86.2-36.2-171.8-70.5-32.1000112.7R362 K363 D389 E390R362-D393 IonicContact CZ-OD1 3.42Å; R362-D393 IonicContact NH2-OD1 2.64Å; R362-D393 PolarHBondContact NH2-OD1 3.38Å; K363-D393 WeakPolarHBondContact CE-OD1 3.33Å; K363-D393 WeakPolarHBondContact CE-OD2 3.37Å; K363-D393 IonicContact NZ-OD2 2.64Å; K363-D393 PolarHBondContact NZ-OD2 3.11Å; D389-D393 WeakPolarHBondContact O-CB 3.11Å; D389-D393 PolarHBondContact O-N 2.97Å; E390-D393 PolarHBondContact O-N 2.93Å
394D81.2Confident84.5Confident107 Ų10741.3 Ų41.357%0.57221%0.205SC*.Iπ-helixtrans-98.8-44-174.9-68.4-31.2000113.5E390 R397E390-D394 HydrophobicContact CG-CB 4.49Å; E390-D394 WeakPolarHBondContact O-CB 3.47Å; E390-D394 PolarHBondContact O-N 2.79Å; D394-R397 WeakPolarHBondContact O-CG 3.31Å; D394-R397 PolarHBondContact O-NE 3.3Å; D394-R397 VanDerWaalsContact O-NE 3.16Å
395Y85.7Confident85.5Confident20 Ų2038.8 Ų38.88%0.07819%0.188CC..Iπ-helixtrans-81.3-63.6-179.2-175.8-99.1000111.8E170 I173 E390 F391 Y427E170-Y395 VanDerWaalsContact CG-OH 3.31Å; E170-Y395 WeakPolarHBondContact CG-OH 3.38Å; E170-Y395 PolarHBondContact OE1-OH 2.94Å; E170-Y395 VanDerWaalsContact OE1-OH 3.13Å; I173-Y395 WeakPolarHBondContact CG2-O 3.47Å; E390-Y395 PolarHBondContact O-N 3.3Å; F391-Y395 AromaticContact CD2-CD1 3.67Å; F391-Y395 HydrophobicContact CD2-CD1 3.67Å; F391-Y395 HydrophobicContact CD2-CE1 4.45Å; F391-Y395 HydrophobicContact CD2-CG 4.22Å; F391-Y395 AromaticContact CE2-CD1 3.42Å; F391-Y395 HydrophobicContact CE2-CD1 3.42Å; F391-Y395 VanDerWaalsContact CE2-CD1 3.42Å; F391-Y395 AromaticContact CE2-CE1 3.85Å; F391-Y395 HydrophobicContact CE2-CE1 3.85Å; F391-Y395 HydrophobicContact CE2-CG 4.38Å; F391-Y395 HydrophobicContact CZ-CD1 4.43Å; F391-Y395 WeakPolarHBondContact O-CB 3.22Å; F391-Y395 PolarHBondContact O-N 3.29Å; Y395-Y427 HydrophobicContact CD1-CD2 4.2Å; Y395-Y427 HydrophobicContact CD1-CG 4.44Å; Y395-Y427 AromaticContact CD2-CD2 3.56Å; Y395-Y427 HydrophobicContact CD2-CD2 3.56Å; Y395-Y427 HydrophobicContact CD2-CE2 4.3Å; Y395-Y427 HydrophobicContact CD2-CG 4.44Å; Y395-Y427 HydrophobicContact CE2-CD2 4.18Å; Y395-Y427 AromaticContact CG-CD2 3.57Å; Y395-Y427 HydrophobicContact CG-CD2 3.57Å; Y395-Y427 HydrophobicContact CG-CE2 4.23Å; Y395-Y427 HydrophobicContact CG-CG 4.24Å
396L86.1Confident86Confident1 Ų129.2 Ų29.21%0.00515%0.151CC..Iπ-helixtrans-73.8-33.5-176.6-171.862.5000112.5I173 I366 F391 G400 V401 V404I173-L396 HydrophobicContact CD1-CD1 3.73Å; I366-L396 HydrophobicContact CD1-CD2 3.92Å; I366-L396 HydrophobicContact CG1-CD2 4.12Å; F391-L396 WeakPolarHBondContact O-CB 3.46Å; F391-L396 PolarHBondContact O-N 2.86Å; L396-G400 WeakPolarHBondContact O-CA 3.03Å; L396-G400 PolarHBondContact O-N 2.86Å; L396-G400 VanDerWaalsContact O-N 3.12Å; L396-V401 HydrophobicContact CD2-CB 4.4Å; L396-V401 HydrophobicContact CD2-CG2 3.52Å; L396-V401 HydrophobicContact CG-CG2 3.93Å; L396-V404 HydrophobicContact CD1-CG2 4.24Å; L396-V404 HydrophobicContact CD2-CG2 4.44Å
397R85.1Confident86.6Confident68 Ų6826.1 Ų26.126%0.25713%0.126SC..Hα-helixtrans56.4-173.8-178.3-55.6178175.6-150.7-4.1112.5I392 D394 V401I392-R397 PolarHBondContact O-N 3.38Å; D394-R397 WeakPolarHBondContact O-CG 3.31Å; D394-R397 PolarHBondContact O-NE 3.3Å; D394-R397 VanDerWaalsContact O-NE 3.16Å; R397-V401 VanDerWaalsContact O-CG2 3.31Å; R397-V401 WeakPolarHBondContact O-CG2 3.48Å; R397-V401 PolarHBondContact O-N 2.04Å
398R84.6Confident87.1Confident45 Ų4523.7 Ų23.717%0.1711%0.114CC..Hα-helixtrans-73.2-42.3-176.6-55.3-167.5-167.1167.2-9.2112.6Y192 G196 T206 V401 F402Y192-R398 VanDerWaalsContact CZ-CZ 3.41Å; Y192-R398 PolarHBondContact OH-NE 3.35Å; Y192-R398 VanDerWaalsContact OH-NE 3.11Å; Y192-R398 PolarHBondContact OH-NH2 3.16Å; G196-R398 PolarHBondContact O-NH1 3.34Å; T206-R398 HydrophobicContact CG2-CB 4.26Å; T206-R398 HydrophobicContact CG2-CG 4.28Å; R398-V401 PolarHBondContact O-N 3.27Å; R398-F402 PolarHBondContact O-N 2.99Å
399D86.5Confident87.2Confident8 Ų826.2 Ų26.24%0.04313%0.127CC..Hα-helixtrans-63.8-41.2177.6-76.4-15.8000111.1G205 T206 C207 L208 V209 V401 F402 L403G205-D399 WeakPolarHBondContact CA-OD2 3.32Å; G205-D399 VanDerWaalsContact O-CB 3.3Å; G205-D399 WeakPolarHBondContact O-CB 3.31Å; G205-D399 PolarHBondContact O-N 3.38Å; T206-D399 VanDerWaalsContact CA-OD1 3.3Å; T206-D399 WeakPolarHBondContact CA-OD1 3.21Å; T206-D399 PolarHBondContact N-OD2 2.94Å; T206-D399 VanDerWaalsContact N-OD2 3.17Å; C207-D399 PolarHBondContact N-OD1 3.39Å; C207-D399 PolarHBondContact N-OD2 3.14Å; L208-D399 HydrophobicContact CB-CB 4.42Å; L208-D399 HydrophobicContact CD1-CB 4.38Å; L208-D399 PolarHBondContact N-OD1 3.48Å; L208-D399 PolarHBondContact N-OD2 3.18Å; V209-D399 WeakPolarHBondContact CG2-OD1 3.24Å; V209-D399 PolarHBondContact N-OD1 2.83Å; V209-D399 VanDerWaalsContact N-OD1 3.14Å; D399-V401 PolarHBondContact O-N 2.82Å; D399-F402 VanDerWaalsContact O-CB 3.31Å; D399-F402 WeakPolarHBondContact O-CB 3.42Å; D399-F402 PolarHBondContact O-N 3.48Å; D399-F402 VanDerWaalsContact O-N 3.15Å; D399-L403 WeakPolarHBondContact O-CG 3.21Å; D399-L403 PolarHBondContact O-N 2.8Å
400G88.4Confident87.2Confident1 Ų125.4 Ų25.41%0.0112%0.122CC..Hα-helixtrans-65.1-40.1175.700000112.9L396 F402 L403 V404L396-G400 WeakPolarHBondContact O-CA 3.03Å; L396-G400 PolarHBondContact O-N 2.86Å; L396-G400 VanDerWaalsContact O-N 3.12Å; G400-F402 VanDerWaalsContact C-N 3.27Å; G400-F402 PolarHBondContact O-N 2.86Å; G400-L403 PolarHBondContact O-N 2.82Å; G400-V404 WeakPolarHBondContact O-CG2 3.46Å; G400-V404 PolarHBondContact O-N 2.61Å
401V90.2Very high87.3Confident0 Ų021.9 Ų21.90%011%0.109CC..Hα-helixtrans-63.8-35.3173.4179.30000111.4R362 I366 I392 L396 R397 R398 D399 R405R362-V401 HydrophobicContact CG-CB 4.02Å; R362-V401 HydrophobicContact CG-CG1 3.45Å; R362-V401 VanDerWaalsContact CG-CG1 3.45Å; R362-V401 HydrophobicContact CG-CG2 4.08Å; I366-V401 HydrophobicContact CD1-CG1 4.2Å; I366-V401 HydrophobicContact CD1-CG2 4.43Å; I366-V401 HydrophobicContact CG1-CG1 4.19Å; I366-V401 HydrophobicContact CG1-CG2 4.1Å; I392-V401 HydrophobicContact CG2-CG2 4.11Å; L396-V401 HydrophobicContact CD2-CB 4.4Å; L396-V401 HydrophobicContact CD2-CG2 3.52Å; L396-V401 HydrophobicContact CG-CG2 3.93Å; R397-V401 VanDerWaalsContact O-CG2 3.31Å; R397-V401 WeakPolarHBondContact O-CG2 3.48Å; R397-V401 PolarHBondContact O-N 2.04Å; R398-V401 PolarHBondContact O-N 3.27Å; D399-V401 PolarHBondContact O-N 2.82Å; V401-R405 WeakPolarHBondContact O-CG 3.45Å; V401-R405 PolarHBondContact O-N 2.91Å
402F90Very high87.4Confident0 Ų023.2 Ų23.20%012%0.123CC..Hα-helixtrans-63.7-45.1173.4171.8-98000112.1W128 L208 V209 Y212 W352 M356 R398 D399 G400 R405 M406W128-F402 HydrophobicContact CH2-CE1 4.25Å; W128-F402 HydrophobicContact CH2-CZ 4.1Å; W128-F402 HydrophobicContact CZ2-CZ 4.47Å; L208-F402 HydrophobicContact CB-CD1 4.44Å; V209-F402 HydrophobicContact CG2-CB 3.5Å; V209-F402 HydrophobicContact CG2-CD1 4.43Å; V209-F402 HydrophobicContact CG2-CD2 4.11Å; V209-F402 HydrophobicContact CG2-CG 3.78Å; Y212-F402 AromaticContact CD1-CE2 3.59Å; Y212-F402 HydrophobicContact CD1-CE2 3.59Å; Y212-F402 AromaticContact CD1-CZ 3.91Å; Y212-F402 HydrophobicContact CD1-CZ 3.91Å; Y212-F402 HydrophobicContact CD2-CZ 4.05Å; Y212-F402 HydrophobicContact CE1-CE2 4.04Å; Y212-F402 HydrophobicContact CE1-CZ 4.47Å; Y212-F402 AromaticContact CG-CE2 3.84Å; Y212-F402 HydrophobicContact CG-CE2 3.84Å; Y212-F402 AromaticContact CG-CZ 3.65Å; Y212-F402 HydrophobicContact CG-CZ 3.65Å; W352-F402 HydrophobicContact CE3-CD2 4.21Å; W352-F402 HydrophobicContact CE3-CE2 4.08Å; W352-F402 HydrophobicContact CH2-CD2 4.32Å; W352-F402 HydrophobicContact CH2-CE2 4.02Å; W352-F402 AromaticContact CZ3-CD2 3.6Å; W352-F402 HydrophobicContact CZ3-CD2 3.6Å; W352-F402 AromaticContact CZ3-CE2 3.59Å; W352-F402 HydrophobicContact CZ3-CE2 3.59Å; M356-F402 HydrophobicContact CE-CB 3.74Å; M356-F402 HydrophobicContact CE-CD2 4.42Å; M356-F402 HydrophobicContact SD-CB 4.25Å; M356-F402 HydrophobicContact SD-CD2 4.17Å; R398-F402 PolarHBondContact O-N 2.99Å; D399-F402 VanDerWaalsContact O-CB 3.31Å; D399-F402 WeakPolarHBondContact O-CB 3.42Å; D399-F402 PolarHBondContact O-N 3.48Å; D399-F402 VanDerWaalsContact O-N 3.15Å; G400-F402 VanDerWaalsContact C-N 3.27Å; G400-F402 PolarHBondContact O-N 2.86Å; F402-R405 WeakPolarHBondContact O-CB 3.44Å; F402-R405 PolarHBondContact O-N 2.92Å; F402-M406 HydrophobicContact CD1-CG 4.49Å; F402-M406 HydrophobicContact CE1-CE 4.37Å; F402-M406 HydrophobicContact CE1-CG 4.05Å; F402-M406 HydrophobicContact CE2-CE 3.66Å; F402-M406 HydrophobicContact CE2-CG 4.27Å; F402-M406 HydrophobicContact CZ-CE 3.41Å; F402-M406 VanDerWaalsContact CZ-CE 3.41Å; F402-M406 HydrophobicContact CZ-CG 3.93Å; F402-M406 PolarHBondContact O-N 2.95Å
403L89.9Confident87.5Confident3 Ų326.8 Ų26.82%0.01614%0.142CC..Hα-helixtrans-61.1-45.4176.3-68.1177000111.5L140 L169 M172 L208 D399 G400 R405 M406 L407L140-L403 HydrophobicContact CD1-CD2 3.33Å; L140-L403 HydrophobicContact CD2-CD2 4Å; L140-L403 HydrophobicContact CG-CD2 4.31Å; L169-L403 HydrophobicContact CD1-CB 3.7Å; L169-L403 HydrophobicContact CD1-CD1 3.46Å; L169-L403 VanDerWaalsContact CD1-CD1 3.46Å; L169-L403 HydrophobicContact CD1-CG 4.21Å; M172-L403 HydrophobicContact CE-CD1 4.49Å; L208-L403 HydrophobicContact CD1-CD1 4.39Å; L208-L403 HydrophobicContact CD1-CD2 4.26Å; L208-L403 HydrophobicContact CD1-CG 4.47Å; D399-L403 WeakPolarHBondContact O-CG 3.21Å; D399-L403 PolarHBondContact O-N 2.8Å; G400-L403 PolarHBondContact O-N 2.82Å; L403-R405 VanDerWaalsContact C-N 3.3Å; L403-R405 PolarHBondContact O-N 2.91Å; L403-M406 WeakPolarHBondContact O-CB 3.47Å; L403-M406 PolarHBondContact O-N 3.21Å; L403-M406 VanDerWaalsContact O-N 3.1Å; L403-L407 WeakPolarHBondContact O-CG 2.93Å; L403-L407 PolarHBondContact O-N 3.09Å
404V92.1Very high87.7Confident0 Ų028.6 Ų28.60%016%0.155CC..Hα-helixtrans-60.9-38.8175.2174.80000111.5L169 F365 I366 L396 G400 L407 A408 T416 V420L169-V404 HydrophobicContact CD2-CG2 4.09Å; F365-V404 HydrophobicContact CE1-CG1 4.2Å; I366-V404 HydrophobicContact CD1-CB 4.24Å; I366-V404 HydrophobicContact CD1-CG1 3.8Å; L396-V404 HydrophobicContact CD1-CG2 4.24Å; L396-V404 HydrophobicContact CD2-CG2 4.44Å; G400-V404 WeakPolarHBondContact O-CG2 3.46Å; G400-V404 PolarHBondContact O-N 2.61Å; V404-L407 PolarHBondContact O-N 2.85Å; V404-A408 PolarHBondContact O-N 3.09Å; V404-T416 HydrophobicContact CG1-CG2 3.67Å; V404-V420 HydrophobicContact CG1-CG2 3.5Å; V404-V420 VanDerWaalsContact CG1-CG2 3.5Å; V404-V420 HydrophobicContact CG2-CG2 4.23Å
405R91.3Very high88.1Confident20 Ų2024 Ų248%0.07513%0.13CC..Hα-helixtrans-63.9-41.8173.3-77.3173.9177.7-88.40.7112.1W352 R355 R361 F365 V401 F402 L403 L407 A408 I409W352-R405 HydrophobicContact CH2-CB 4.41Å; W352-R405 HydrophobicContact CZ3-CB 4.43Å; R355-R405 PolarHBondContact O-NH2 2.71Å; R361-R405 PolarHBondContact O-NH2 3.21Å; F365-R405 HydrophobicContact CD1-CG 3.74Å; F365-R405 HydrophobicContact CE1-CB 4.2Å; F365-R405 HydrophobicContact CE1-CG 3.24Å; F365-R405 HydrophobicContact CE2-CG 4.44Å; F365-R405 HydrophobicContact CG-CG 4.49Å; F365-R405 HydrophobicContact CZ-CB 4.36Å; F365-R405 HydrophobicContact CZ-CG 3.64Å; V401-R405 WeakPolarHBondContact O-CG 3.45Å; V401-R405 PolarHBondContact O-N 2.91Å; F402-R405 WeakPolarHBondContact O-CB 3.44Å; F402-R405 PolarHBondContact O-N 2.92Å; L403-R405 VanDerWaalsContact C-N 3.3Å; L403-R405 PolarHBondContact O-N 2.91Å; R405-L407 VanDerWaalsContact C-N 3.33Å; R405-A408 PolarHBondContact O-N 3.07Å; R405-I409 WeakPolarHBondContact O-CG1 3.47Å; R405-I409 PolarHBondContact O-N 2.92Å; R405-I409 VanDerWaalsContact O-N 3.11Å
406M88.3Confident88.5Confident0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-65.4-37.4176.9-77.2-61.2-170.300112.1V21 Y212 W352 F402 L403 I409 N410V21-M406 HydrophobicContact CG1-CG 4.28Å; V21-M406 HydrophobicContact CG1-SD 4.25Å; Y212-M406 HydrophobicContact CD2-CE 4.11Å; Y212-M406 HydrophobicContact CE1-CE 4.06Å; Y212-M406 HydrophobicContact CE2-CE 3.54Å; Y212-M406 VanDerWaalsContact CZ-CE 3.48Å; W352-M406 HydrophobicContact CH2-CE 3.59Å; W352-M406 HydrophobicContact CH2-CG 4.3Å; W352-M406 HydrophobicContact CH2-SD 3.82Å; W352-M406 HydrophobicContact CZ2-CE 3.62Å; W352-M406 HydrophobicContact CZ2-SD 4.01Å; W352-M406 HydrophobicContact CZ3-CE 4.43Å; F402-M406 HydrophobicContact CD1-CG 4.49Å; F402-M406 HydrophobicContact CE1-CE 4.37Å; F402-M406 HydrophobicContact CE1-CG 4.05Å; F402-M406 HydrophobicContact CE2-CE 3.66Å; F402-M406 HydrophobicContact CE2-CG 4.27Å; F402-M406 HydrophobicContact CZ-CE 3.41Å; F402-M406 VanDerWaalsContact CZ-CE 3.41Å; F402-M406 HydrophobicContact CZ-CG 3.93Å; F402-M406 PolarHBondContact O-N 2.95Å; L403-M406 WeakPolarHBondContact O-CB 3.47Å; L403-M406 PolarHBondContact O-N 3.21Å; L403-M406 VanDerWaalsContact O-N 3.1Å; M406-I409 PolarHBondContact O-N 3.27Å; M406-N410 PolarHBondContact O-N 3.14Å; M406-N410 PolarHBondContact O-ND2 3.14Å
407L89.9Confident88.7Confident1 Ų123.2 Ų23.21%0.00513%0.128CC..Hα-helixtrans-63-45.1171.8-71.1173.4000111.5L143 V144 A147 L169 L403 V404 R405 I409 N410 A411 T416 I419L143-L407 HydrophobicContact CG-CD2 4.4Å; V144-L407 HydrophobicContact CB-CD2 4.44Å; V144-L407 HydrophobicContact CG2-CD2 4.12Å; A147-L407 HydrophobicContact CB-CD2 3.47Å; A147-L407 VanDerWaalsContact CB-CD2 3.47Å; L169-L407 HydrophobicContact CD2-CD1 4.19Å; L403-L407 WeakPolarHBondContact O-CG 2.93Å; L403-L407 PolarHBondContact O-N 3.09Å; V404-L407 PolarHBondContact O-N 2.85Å; R405-L407 VanDerWaalsContact C-N 3.33Å; L407-I409 VanDerWaalsContact C-N 3.31Å; L407-I409 PolarHBondContact O-N 2.9Å; L407-N410 PolarHBondContact O-N 2.87Å; L407-A411 WeakPolarHBondContact O-CA 3.39Å; L407-A411 WeakPolarHBondContact O-CB 3.49Å; L407-A411 PolarHBondContact O-N 2.85Å; L407-T416 HydrophobicContact CB-CG2 4.34Å; L407-I419 HydrophobicContact CD1-CD1 4.43Å
408A90.2Very high89Confident10 Ų1021 Ų218%0.08312%0.121CC..Hα-helixtrans-58.7-41.7177.700000112.6F365 F369 V404 R405 G412 T416F365-A408 HydrophobicContact CZ-CB 3.98Å; F369-A408 HydrophobicContact CZ-CB 4.23Å; V404-A408 PolarHBondContact O-N 3.09Å; R405-A408 PolarHBondContact O-N 3.07Å; A408-G412 CarbonylContact O-C 3.52Å; A408-G412 WeakPolarHBondContact O-CA 3.3Å; A408-G412 PolarHBondContact O-N 2.82Å; A408-T416 VanDerWaalsContact CA-OG1 3.26Å; A408-T416 WeakPolarHBondContact CA-OG1 3.36Å; A408-T416 HydrophobicContact CB-CG2 4.1Å; A408-T416 PolarHBondContact N-OG1 3.43Å
409I87Confident89.4Confident69 Ų6919 Ų1935%0.35411%0.113SC..Hα-helixtrans-68.5-36.2-179.4-67.6167.6000111.9W352 R405 M406 L407W352-I409 HydrophobicContact CH2-CD1 3.98Å; W352-I409 HydrophobicContact CZ2-CD1 3.73Å; R405-I409 WeakPolarHBondContact O-CG1 3.47Å; R405-I409 PolarHBondContact O-N 2.92Å; R405-I409 VanDerWaalsContact O-N 3.11Å; M406-I409 PolarHBondContact O-N 3.27Å; L407-I409 VanDerWaalsContact C-N 3.31Å; L407-I409 PolarHBondContact O-N 2.9Å
410N83.8Confident89.7Confident29 Ų2918.6 Ų18.616%0.15511%0.111CC..Hα-helixtrans-100.3-39.7-171.1-70.4-66.1000114.4A20 R27 V144 M406 L407A20-N410 PolarHBondContact O-OD1 3.38Å; R27-N410 PolarHBondContact NH2-OD1 3.38Å; V144-N410 HydrophobicContact CG1-CB 3.38Å; M406-N410 PolarHBondContact O-N 3.14Å; M406-N410 PolarHBondContact O-ND2 3.14Å; L407-N410 PolarHBondContact O-N 2.87Å
411A85.8Confident89.7Confident17 Ų1720.2 Ų20.214%0.1412%0.119CC..Hα-helixtrans-98.6-14.7179.600000113.2A147 L407A147-A411 HydrophobicContact CB-CB 3.94Å; L407-A411 WeakPolarHBondContact O-CA 3.39Å; L407-A411 WeakPolarHBondContact O-CB 3.49Å; L407-A411 PolarHBondContact O-N 2.85Å
412G87.6Confident89.7Confident29 Ų2920.9 Ų20.930%0.29912%0.124SC..  trans93.9162.2179.100000114.5A408 V414 T416A408-G412 CarbonylContact O-C 3.52Å; A408-G412 WeakPolarHBondContact O-CA 3.3Å; A408-G412 PolarHBondContact O-N 2.82Å; G412-V414 PolarHBondContact O-N 2.62Å; G412-T416 WeakPolarHBondContact O-CB 3.4Å; G412-T416 PolarHBondContact O-N 2.7Å; G412-T416 PolarHBondContact O-OG1 3.48Å
413D89.5Confident89.8Confident75 Ų7520.9 Ų20.940%0.40112%0.124SC..Hα-helixtrans-66.9-33.7-172.2-77.5-11.4000113.6F369 S417F369-D413 HydrophobicContact CE1-CB 4.03Å; F369-D413 WeakPolarHBondContact CE1-O 3.4Å; D413-S417 WeakPolarHBondContact O-CB 3.46Å; D413-S417 PolarHBondContact O-N 2.78Å
414V89Confident89.7Confident97 Ų9721 Ų2159%0.58813%0.125SC*.Hα-helixtrans-66.8-49.4-174.9179.50000111.2G412 S417 E418G412-V414 PolarHBondContact O-N 2.62Å; V414-S417 WeakPolarHBondContact O-CB 3.47Å; V414-S417 PolarHBondContact O-N 2.94Å; V414-S417 PolarHBondContact O-OG 3.38Å; V414-E418 PolarHBondContact O-N 2.86Å
415I90.3Very high89.4Confident10 Ų1026.3 Ų26.35%0.05115%0.149CC..Hα-helixtrans-71.1-39.8-179.8-63.3-65.7000110.8A151 R158 V162 S417 E418 I419A151-I415 HydrophobicContact CB-CB 4.48Å; A151-I415 HydrophobicContact CB-CD1 4.3Å; A151-I415 HydrophobicContact CB-CG1 3.59Å; R158-I415 HydrophobicContact CG-CD1 4.27Å; V162-I415 HydrophobicContact CG2-CG2 4.49Å; I415-S417 PolarHBondContact O-N 3.3Å; I415-E418 PolarHBondContact O-N 3.35Å; I415-I419 HydrophobicContact CG2-CD1 3.8Å; I415-I419 HydrophobicContact CG2-CG1 4.33Å; I415-I419 WeakPolarHBondContact O-CG1 3.01Å; I415-I419 PolarHBondContact O-N 2.92Å
416T92.2Very high89.2Confident1 Ų127 Ų271%0.00615%0.153CC..Hα-helixtrans-59.8-37175-54.10000111.3F369 V404 L407 A408 G412 E418 I419 V420F369-T416 HydrophobicContact CE2-CG2 4.24Å; F369-T416 HydrophobicContact CZ-CG2 4.2Å; V404-T416 HydrophobicContact CG1-CG2 3.67Å; L407-T416 HydrophobicContact CB-CG2 4.34Å; A408-T416 VanDerWaalsContact CA-OG1 3.26Å; A408-T416 WeakPolarHBondContact CA-OG1 3.36Å; A408-T416 HydrophobicContact CB-CG2 4.1Å; A408-T416 PolarHBondContact N-OG1 3.43Å; G412-T416 WeakPolarHBondContact O-CB 3.4Å; G412-T416 PolarHBondContact O-N 2.7Å; G412-T416 PolarHBondContact O-OG1 3.48Å; T416-E418 VanDerWaalsContact C-N 3.34Å; T416-E418 PolarHBondContact O-N 3.1Å; T416-I419 PolarHBondContact O-N 3.27Å; T416-V420 HydrophobicContact CG2-CG2 4.31Å; T416-V420 WeakPolarHBondContact O-CB 3.11Å; T416-V420 VanDerWaalsContact O-CG2 3.24Å; T416-V420 WeakPolarHBondContact O-CG2 3.28Å; T416-V420 PolarHBondContact O-N 3.48Å
417S91.1Very high89.1Confident5 Ų528 Ų284%0.03516%0.157CC..Hα-helixtrans-61.6-40.2173.480.80000112.7K373 D413 V414 I415 M421K373-S417 WeakPolarHBondContact CE-OG 3.47Å; D413-S417 WeakPolarHBondContact O-CB 3.46Å; D413-S417 PolarHBondContact O-N 2.78Å; V414-S417 WeakPolarHBondContact O-CB 3.47Å; V414-S417 PolarHBondContact O-N 2.94Å; V414-S417 PolarHBondContact O-OG 3.38Å; I415-S417 PolarHBondContact O-N 3.3Å; S417-M421 VanDerWaalsContact O-CG 3.29Å; S417-M421 WeakPolarHBondContact O-CG 3.09Å; S417-M421 PolarHBondContact O-N 3.48Å
418E91.2Very high88.8Confident22 Ų2229.6 Ų29.610%0.10317%0.165CC..Hα-helixtrans-69.7-38.3178.2-66.5-178.6-179.200112R158 V162 K373 V414 I415 T416 M421 A422R158-E418 IonicContact CZ-OE1 3.55Å; R158-E418 IonicContact CZ-OE2 3.45Å; R158-E418 IonicContact NE-OE2 3.81Å; R158-E418 VanDerWaalsContact NH1-CD 3.28Å; R158-E418 IonicContact NH1-OE1 2.78Å; R158-E418 PolarHBondContact NH1-OE1 2.79Å; R158-E418 IonicContact NH1-OE2 3.06Å; R158-E418 PolarHBondContact NH1-OE2 3.27Å; R158-E418 IonicContact NH2-OE1 3.14Å; V162-E418 HydrophobicContact CG1-CB 3.97Å; V162-E418 HydrophobicContact CG2-CB 4.34Å; K373-E418 VanDerWaalsContact NZ-CG 3.32Å; K373-E418 IonicContact NZ-OE1 2.69Å; K373-E418 PolarHBondContact NZ-OE1 3.06Å; V414-E418 PolarHBondContact O-N 2.86Å; I415-E418 PolarHBondContact O-N 3.35Å; T416-E418 VanDerWaalsContact C-N 3.34Å; T416-E418 PolarHBondContact O-N 3.1Å; E418-M421 HydrophobicContact CB-CE 4.34Å; E418-M421 HydrophobicContact CG-CE 4.08Å; E418-M421 PolarHBondContact O-N 2.69Å; E418-A422 PolarHBondContact O-N 2.84Å; E418-A422 VanDerWaalsContact O-N 3.12Å
419I93.1Very high88.5Confident1 Ų134.2 Ų34.21%0.00519%0.189CC..Hα-helixtrans-64-47.9174.2-63.8163.7000110.2A147 V162 V165 A166 L169 L407 I415 T416 M421 A422 L423A147-I419 HydrophobicContact CB-CD1 4.16Å; V162-I419 HydrophobicContact CG1-CG1 3.92Å; V165-I419 HydrophobicContact CB-CD1 4.4Å; V165-I419 HydrophobicContact CG1-CD1 3.61Å; V165-I419 HydrophobicContact CG1-CG1 4.12Å; V165-I419 HydrophobicContact CG1-CG2 4.42Å; A166-I419 HydrophobicContact CB-CG2 4.35Å; L169-I419 HydrophobicContact CD2-CG2 4.36Å; L407-I419 HydrophobicContact CD1-CD1 4.43Å; I415-I419 HydrophobicContact CG2-CD1 3.8Å; I415-I419 HydrophobicContact CG2-CG1 4.33Å; I415-I419 WeakPolarHBondContact O-CG1 3.01Å; I415-I419 PolarHBondContact O-N 2.92Å; T416-I419 PolarHBondContact O-N 3.27Å; I419-M421 VanDerWaalsContact C-N 3.28Å; I419-M421 PolarHBondContact O-N 2.71Å; I419-A422 PolarHBondContact O-N 3.16Å; I419-A422 VanDerWaalsContact O-N 3.14Å; I419-L423 HydrophobicContact CG2-CD1 4.3Å; I419-L423 HydrophobicContact CG2-CG 4.5Å; I419-L423 WeakPolarHBondContact O-CG 3.31Å; I419-L423 PolarHBondContact O-N 3.31Å
420V92.7Very high88.2Confident1 Ų134.9 Ų34.91%0.00619%0.193CC..Hα-helixtrans-62.3-35.1179.8171.10000112I366 F369 L370 V404 T416 Y424I366-V420 HydrophobicContact CG2-CG1 4.23Å; F369-V420 HydrophobicContact CB-CB 4.37Å; F369-V420 HydrophobicContact CB-CG1 4.19Å; F369-V420 HydrophobicContact CD2-CG2 4.49Å; L370-V420 HydrophobicContact CD2-CG1 3.84Å; L370-V420 HydrophobicContact CG-CG1 4.05Å; V404-V420 HydrophobicContact CG1-CG2 3.5Å; V404-V420 VanDerWaalsContact CG1-CG2 3.5Å; V404-V420 HydrophobicContact CG2-CG2 4.23Å; T416-V420 HydrophobicContact CG2-CG2 4.31Å; T416-V420 WeakPolarHBondContact O-CB 3.11Å; T416-V420 VanDerWaalsContact O-CG2 3.24Å; T416-V420 WeakPolarHBondContact O-CG2 3.28Å; T416-V420 PolarHBondContact O-N 3.48Å; V420-Y424 PolarHBondContact O-N 3.07Å; V420-Y424 VanDerWaalsContact O-N 3.15Å
421M89.5Confident87.9Confident34 Ų3435.8 Ų35.817%0.16720%0.199CC..Hα-helixtrans-63.5-48.3172.1-71-162.4-66.300112.2K373 I375 S417 E418 I419 L423 Y424 E425K373-M421 HydrophobicContact CB-CE 4.19Å; K373-M421 HydrophobicContact CB-CG 3.89Å; K373-M421 HydrophobicContact CB-SD 3.13Å; K373-M421 WeakPolarHBondContact CB-SD 3.28Å; K373-M421 HydrophobicContact CD-CE 3.51Å; K373-M421 HydrophobicContact CD-SD 3.68Å; K373-M421 HydrophobicContact CG-CE 3.72Å; K373-M421 HydrophobicContact CG-CG 3.89Å; K373-M421 HydrophobicContact CG-SD 3.3Å; K373-M421 WeakPolarHBondContact CG-SD 3.39Å; I375-M421 HydrophobicContact CD1-CB 4.17Å; I375-M421 HydrophobicContact CD1-CG 3.66Å; I375-M421 HydrophobicContact CD1-SD 4.21Å; I375-M421 HydrophobicContact CG1-CG 4.4Å; I375-M421 HydrophobicContact CG1-SD 4.33Å; S417-M421 VanDerWaalsContact O-CG 3.29Å; S417-M421 WeakPolarHBondContact O-CG 3.09Å; S417-M421 PolarHBondContact O-N 3.48Å; E418-M421 HydrophobicContact CB-CE 4.34Å; E418-M421 HydrophobicContact CG-CE 4.08Å; E418-M421 PolarHBondContact O-N 2.69Å; I419-M421 VanDerWaalsContact C-N 3.28Å; I419-M421 PolarHBondContact O-N 2.71Å; M421-L423 VanDerWaalsContact C-N 3.29Å; M421-L423 PolarHBondContact O-N 2.81Å; M421-Y424 WeakPolarHBondContact O-CB 2.98Å; M421-Y424 PolarHBondContact O-N 3.13Å; M421-E425 PolarHBondContact O-N 3.37Å
422A90.1Very high87Confident14 Ų1437.4 Ų37.412%0.11620%0.202CC..Hα-helixtrans-59.8-41.3-179.400000111.6A166 E418 I419 Y424 E425 H426A166-A422 HydrophobicContact CB-CB 3.82Å; E418-A422 PolarHBondContact O-N 2.84Å; E418-A422 VanDerWaalsContact O-N 3.12Å; I419-A422 PolarHBondContact O-N 3.16Å; I419-A422 VanDerWaalsContact O-N 3.14Å; A422-Y424 VanDerWaalsContact C-N 3.3Å; A422-Y424 PolarHBondContact O-N 3.3Å; A422-E425 PolarHBondContact O-N 3.21Å; A422-H426 PolarHBondContact O-N 3.42Å
423L91.2Very high86.1Confident1 Ų139.4 Ų39.41%0.00521%0.211CC..Hα-helixtrans-60.2-38.8173.2-66.1171000112.6A166 L169 E170 F391 I419 M421 Y427A166-L423 HydrophobicContact CB-CD2 4.04Å; A166-L423 HydrophobicContact CB-CG 4.28Å; L169-L423 HydrophobicContact CD2-CD1 3.58Å; L169-L423 HydrophobicContact CD2-CD2 4.33Å; L169-L423 HydrophobicContact CG-CD1 4.47Å; L169-L423 HydrophobicContact CG-CD2 4.48Å; E170-L423 HydrophobicContact CG-CD2 3.44Å; E170-L423 VanDerWaalsContact CG-CD2 3.44Å; E170-L423 WeakPolarHBondContact OE1-CD2 3.44Å; F391-L423 HydrophobicContact CZ-CB 4.22Å; I419-L423 HydrophobicContact CG2-CD1 4.3Å; I419-L423 HydrophobicContact CG2-CG 4.5Å; I419-L423 WeakPolarHBondContact O-CG 3.31Å; I419-L423 PolarHBondContact O-N 3.31Å; M421-L423 VanDerWaalsContact C-N 3.29Å; M421-L423 PolarHBondContact O-N 2.81Å; L423-Y427 WeakPolarHBondContact O-CB 3.32Å; L423-Y427 PolarHBondContact O-N 2.71Å
424Y88.5Confident84.9Confident5 Ų540.8 Ų40.82%0.0222%0.222CC..Hα-helixtrans-72.6-39.4-179.9-174.6-107.9000111.9L370 I375 I383 F391 V420 M421 A422 Y427 I428L370-Y424 HydrophobicContact CD2-CD1 4.39Å; L370-Y424 HydrophobicContact CD2-CG 4.09Å; I375-Y424 HydrophobicContact CD1-CD1 4.19Å; I375-Y424 HydrophobicContact CG2-CD1 4.19Å; I375-Y424 HydrophobicContact CG2-CE1 3.99Å; I383-Y424 HydrophobicContact CD1-CE1 4.09Å; F391-Y424 HydrophobicContact CB-CD2 4.39Å; F391-Y424 HydrophobicContact CB-CE2 4.31Å; F391-Y424 AromaticContact CD1-CD2 3.94Å; F391-Y424 HydrophobicContact CD1-CD2 3.94Å; F391-Y424 AromaticContact CD2-CD2 3.91Å; F391-Y424 HydrophobicContact CD2-CD2 3.91Å; F391-Y424 HydrophobicContact CE1-CD2 4.16Å; F391-Y424 HydrophobicContact CE2-CD2 4.11Å; F391-Y424 AromaticContact CG-CD2 3.81Å; F391-Y424 HydrophobicContact CG-CD2 3.81Å; F391-Y424 HydrophobicContact CG-CE2 4.23Å; F391-Y424 HydrophobicContact CZ-CD2 4.23Å; V420-Y424 PolarHBondContact O-N 3.07Å; V420-Y424 VanDerWaalsContact O-N 3.15Å; M421-Y424 WeakPolarHBondContact O-CB 2.98Å; M421-Y424 PolarHBondContact O-N 3.13Å; A422-Y424 VanDerWaalsContact C-N 3.3Å; A422-Y424 PolarHBondContact O-N 3.3Å; Y424-Y427 HydrophobicContact CD2-CD1 4.35Å; Y424-Y427 HydrophobicContact CE2-CD1 4.3Å; Y424-Y427 PolarHBondContact O-N 3.45Å; Y424-I428 HydrophobicContact CD1-CD1 3.84Å; Y424-I428 HydrophobicContact CE1-CD1 3.32Å; Y424-I428 HydrophobicContact CE1-CG1 4.2Å; Y424-I428 HydrophobicContact CE2-CD1 4.46Å; Y424-I428 WeakPolarHBondContact O-CG1 3.48Å; Y424-I428 PolarHBondContact O-N 3.34Å
425E86.3Confident83.4Confident111 Ų11141.9 Ų41.952%0.51923%0.225SC..Hα-helixtrans-60.5-47.8172.9-71.8175.1-178.400111M421 A422 Y427 I428 D429M421-E425 PolarHBondContact O-N 3.37Å; A422-E425 PolarHBondContact O-N 3.21Å; E425-Y427 PolarHBondContact O-N 3.02Å; E425-I428 PolarHBondContact O-N 3.37Å; E425-D429 PolarHBondContact O-N 3.23Å
426H86Confident81.5Confident34 Ų3447.5 Ų47.516%0.15726%0.255CS..Hα-helixtrans-61.1-40175.1-81-155.7000112.9E170 A422 D429 N430E170-H426 WeakPolarHBondContact OE1-CB 3.17Å; E170-H426 IonicContact OE1-CG 3.01Å; E170-H426 IonicContact OE1-ND1 3.46Å; E170-H426 PolarHBondContact OE1-ND1 3.43Å; E170-H426 VanDerWaalsContact OE1-ND1 3.17Å; E170-H426 IonicContact OE2-CE1 3.79Å; E170-H426 IonicContact OE2-CG 2.84Å; E170-H426 IonicContact OE2-ND1 4Å; E170-H426 PolarHBondContact OE2-ND1 3.05Å; A422-H426 PolarHBondContact O-N 3.42Å; H426-D429 PolarHBondContact O-N 3.24Å; H426-N430 WeakPolarHBondContact O-CB 3.48Å; H426-N430 VanDerWaalsContact O-CG 3.27Å; H426-N430 PolarHBondContact O-N 3.24Å; H426-N430 PolarHBondContact O-ND2 2.94Å; H426-N430 VanDerWaalsContact O-ND2 3.15Å
427Y85.9Confident79Confident23 Ų2351.8 Ų51.89%0.0928%0.281CS..Hα-helixtrans-60.3-46.6174.6167.3-107.7000111.8E390 F391 Y395 L423 Y424 E425 N430 V431E390-Y427 WeakPolarHBondContact CG-OH 3.27Å; E390-Y427 PolarHBondContact OE1-OH 2.94Å; F391-Y427 HydrophobicContact CB-CD1 4.11Å; F391-Y427 HydrophobicContact CB-CE1 3.9Å; F391-Y427 AromaticContact CD2-CD1 3.62Å; F391-Y427 HydrophobicContact CD2-CD1 3.62Å; F391-Y427 HydrophobicContact CD2-CD2 4.2Å; F391-Y427 HydrophobicContact CD2-CE1 4.24Å; F391-Y427 AromaticContact CD2-CG 3.59Å; F391-Y427 HydrophobicContact CD2-CG 3.59Å; F391-Y427 HydrophobicContact CE2-CD1 4.5Å; F391-Y427 HydrophobicContact CE2-CG 4.22Å; F391-Y427 HydrophobicContact CG-CD1 4.26Å; Y395-Y427 HydrophobicContact CD1-CD2 4.2Å; Y395-Y427 HydrophobicContact CD1-CG 4.44Å; Y395-Y427 AromaticContact CD2-CD2 3.56Å; Y395-Y427 HydrophobicContact CD2-CD2 3.56Å; Y395-Y427 HydrophobicContact CD2-CE2 4.3Å; Y395-Y427 HydrophobicContact CD2-CG 4.44Å; Y395-Y427 HydrophobicContact CE2-CD2 4.18Å; Y395-Y427 AromaticContact CG-CD2 3.57Å; Y395-Y427 HydrophobicContact CG-CD2 3.57Å; Y395-Y427 HydrophobicContact CG-CE2 4.23Å; Y395-Y427 HydrophobicContact CG-CG 4.24Å; L423-Y427 WeakPolarHBondContact O-CB 3.32Å; L423-Y427 PolarHBondContact O-N 2.71Å; Y424-Y427 HydrophobicContact CD2-CD1 4.35Å; Y424-Y427 HydrophobicContact CE2-CD1 4.3Å; Y424-Y427 PolarHBondContact O-N 3.45Å; E425-Y427 PolarHBondContact O-N 3.02Å; Y427-N430 PolarHBondContact O-N 3.21Å; Y427-V431 HydrophobicContact CD2-CG2 4Å; Y427-V431 HydrophobicContact CE1-CG2 4.27Å; Y427-V431 HydrophobicContact CE2-CG2 3.55Å; Y427-V431 WeakPolarHBondContact O-CG2 3.14Å; Y427-V431 PolarHBondContact O-N 2.64Å
428I83.7Confident76.3Confident33 Ų3356.2 Ų56.217%0.16931%0.31CS..Hα-helixtrans-58.9-49.4176.9-75.6-179.6000110.5Y424 E425 N430 V431 Y432Y424-I428 HydrophobicContact CD1-CD1 3.84Å; Y424-I428 HydrophobicContact CE1-CD1 3.32Å; Y424-I428 HydrophobicContact CE1-CG1 4.2Å; Y424-I428 HydrophobicContact CE2-CD1 4.46Å; Y424-I428 WeakPolarHBondContact O-CG1 3.48Å; Y424-I428 PolarHBondContact O-N 3.34Å; E425-I428 PolarHBondContact O-N 3.37Å; I428-N430 VanDerWaalsContact C-N 3.29Å; I428-N430 PolarHBondContact O-N 3.07Å; I428-V431 PolarHBondContact O-N 3.43Å; I428-Y432 HydrophobicContact CB-CE2 4.39Å; I428-Y432 HydrophobicContact CG2-CD2 4.25Å; I428-Y432 HydrophobicContact CG2-CE1 4.21Å; I428-Y432 HydrophobicContact CG2-CE2 3.53Å; I428-Y432 VanDerWaalsContact CG2-CZ 3.43Å; I428-Y432 VanDerWaalsContact CG2-OH 3.27Å; I428-Y432 WeakPolarHBondContact CG2-OH 3.5Å; I428-Y432 WeakPolarHBondContact O-CD2 3.47Å; I428-Y432 WeakPolarHBondContact O-CE2 3.36Å; I428-Y432 PolarHBondContact O-N 3.17Å
429D83.7Confident73.8Confident107 Ų10764.9 Ų64.957%0.57235%0.351SS*.Hα-helixtrans-60.1-40.3179.9-71.6-14.8000111.9E425 H426 Y432 S433E425-D429 PolarHBondContact O-N 3.23Å; H426-D429 PolarHBondContact O-N 3.24Å; D429-Y432 PolarHBondContact O-N 2.93Å; D429-S433 PolarHBondContact O-N 2.86Å
430N81Confident70.9Confident84 Ų8474.8 Ų74.845%0.44939%0.394SS..Hα-helixtrans-67.4-42.8178.2-76.9-31.7000112.8H426 Y427 I428 Y432 S433 V434H426-N430 WeakPolarHBondContact O-CB 3.48Å; H426-N430 VanDerWaalsContact O-CG 3.27Å; H426-N430 PolarHBondContact O-N 3.24Å; H426-N430 PolarHBondContact O-ND2 2.94Å; H426-N430 VanDerWaalsContact O-ND2 3.15Å; Y427-N430 PolarHBondContact O-N 3.21Å; I428-N430 VanDerWaalsContact C-N 3.29Å; I428-N430 PolarHBondContact O-N 3.07Å; N430-Y432 PolarHBondContact O-N 2.64Å; N430-S433 PolarHBondContact O-N 2.96Å; N430-S433 PolarHBondContact O-OG 2.73Å; N430-V434 WeakPolarHBondContact O-CG2 3.45Å; N430-V434 PolarHBondContact O-N 3.05Å
431V76.9Confident68.2Low47 Ų4779 Ų7929%0.28542%0.423SS..Hα-helixtrans-60.6-34.2176.9171.40000111Y427 I428 V434 D435Y427-V431 HydrophobicContact CD2-CG2 4Å; Y427-V431 HydrophobicContact CE1-CG2 4.27Å; Y427-V431 HydrophobicContact CE2-CG2 3.55Å; Y427-V431 WeakPolarHBondContact O-CG2 3.14Å; Y427-V431 PolarHBondContact O-N 2.64Å; I428-V431 PolarHBondContact O-N 3.43Å; V431-V434 PolarHBondContact O-N 2.96Å; V431-D435 PolarHBondContact O-N 3.47Å
432Y66.7Low65.8Low52 Ų5285.7 Ų85.720%0.20446%0.459CS..Hα-helixtrans-87.3-27.5-173.1-73.7-146.6000113.6R378 I428 D429 N430 V434 D435 N436R378-Y432 WeakPolarHBondContact CB-OH 3.41Å; R378-Y432 WeakPolarHBondContact CD-OH 3.48Å; R378-Y432 HydrophobicContact CG-CE1 4.35Å; R378-Y432 WeakPolarHBondContact CG-OH 3.47Å; R378-Y432 PolarHBondContact NE-OH 3.35Å; R378-Y432 PolarHBondContact NH1-OH 3.24Å; I428-Y432 HydrophobicContact CB-CE2 4.39Å; I428-Y432 HydrophobicContact CG2-CD2 4.25Å; I428-Y432 HydrophobicContact CG2-CE1 4.21Å; I428-Y432 HydrophobicContact CG2-CE2 3.53Å; I428-Y432 VanDerWaalsContact CG2-CZ 3.43Å; I428-Y432 VanDerWaalsContact CG2-OH 3.27Å; I428-Y432 WeakPolarHBondContact CG2-OH 3.5Å; I428-Y432 WeakPolarHBondContact O-CD2 3.47Å; I428-Y432 WeakPolarHBondContact O-CE2 3.36Å; I428-Y432 PolarHBondContact O-N 3.17Å; D429-Y432 PolarHBondContact O-N 2.93Å; N430-Y432 PolarHBondContact O-N 2.64Å; Y432-V434 PolarHBondContact O-N 3.5Å; Y432-D435 PolarHBondContact O-N 3.48Å; Y432-N436 WeakPolarHBondContact O-CB 3.13Å; Y432-N436 PolarHBondContact O-N 2.79Å; Y432-N436 VanDerWaalsContact O-N 3.12Å; Y432-N436 PolarHBondContact O-ND2 2.89Å
433S70.6Confident63.2Low70 Ų7093.7 Ų93.749%0.4949%0.494SS..Hα-helixtrans-61.8-31.4169.661.80000111D429 N430 T437D429-S433 PolarHBondContact O-N 2.86Å; N430-S433 PolarHBondContact O-N 2.96Å; N430-S433 PolarHBondContact O-OG 2.73Å; S433-T437 PolarHBondContact O-OG1 2.81Å
434V62.7Low60.7Low104 Ų104103.3 Ų103.363%0.6354%0.536SS*.Hα-helixtrans-73.6-47.6174.8-179.20000111.6N430 V431 Y432 N436 T437N430-V434 WeakPolarHBondContact O-CG2 3.45Å; N430-V434 PolarHBondContact O-N 3.05Å; V431-V434 PolarHBondContact O-N 2.96Å; Y432-V434 PolarHBondContact O-N 3.5Å; V434-N436 VanDerWaalsContact C-N 3.31Å; V434-N436 PolarHBondContact O-N 3.44Å; V434-T437 PolarHBondContact O-N 3.17Å
435D58.1Low58.5Low121 Ų121111.4 Ų111.465%0.64757%0.573SS**Hα-helixtrans-66.9-26.1-178.3-84.4-15.4000114.4V431 Y432 T437V431-D435 PolarHBondContact O-N 3.47Å; Y432-D435 PolarHBondContact O-N 3.48Å; D435-T437 VanDerWaalsContact C-N 3.31Å; D435-T437 PolarHBondContact O-N 3.46Å
436N50.5Low56.4Low127 Ų127111.5 Ų111.568%0.67958%0.584SS**THydrogen-bonded Turntrans-86.44.9179-71.4-54.5000114.1Y432 V434 P438Y432-N436 WeakPolarHBondContact O-CB 3.13Å; Y432-N436 PolarHBondContact O-N 2.79Å; Y432-N436 VanDerWaalsContact O-N 3.12Å; Y432-N436 PolarHBondContact O-ND2 2.89Å; V434-N436 VanDerWaalsContact C-N 3.31Å; V434-N436 PolarHBondContact O-N 3.44Å; N436-P438 VanDerWaalsContact O-CD 3.31Å; N436-P438 WeakPolarHBondContact O-CD 3.4Å
437T40.3Very low54.3Low91 Ų91118.6 Ų118.656%0.55862%0.622SS**SBendtrans-88.2109.7173.7-48.10000109.2S433 V434 D435 Q439S433-T437 PolarHBondContact O-OG1 2.81Å; V434-T437 PolarHBondContact O-N 3.17Å; D435-T437 VanDerWaalsContact C-N 3.31Å; D435-T437 PolarHBondContact O-N 3.46Å; T437-Q439 PolarHBondContact O-N 2.73Å
438P34.1Very low52.4Low99 Ų99126.9 Ų126.964%0.64366%0.658SS**  trans-61.4131.5178.3-15.629.1000109.2N436 K440N436-P438 VanDerWaalsContact O-CD 3.31Å; N436-P438 WeakPolarHBondContact O-CD 3.4Å; P438-K440 PolarHBondContact O-N 3.17Å
439Q37.8Very low50.3Low203 Ų203133.4 Ų133.495%0.94969%0.693SS**SBendtrans-5821.7179.6-130.5161.4-19.400115.6T437T437-Q439 PolarHBondContact O-N 2.73Å
440K33.6Very low48.3Very low209 Ų209131.3 Ų131.391%0.90970%0.698SS**SBendtrans-99.89.8-172.4-98.5-175.5175-178.70115.4P438P438-K440 PolarHBondContact O-N 3.17Å
441S35.3Very low46.2Very low90 Ų90133.5 Ų133.563%0.62972%0.719SS**SBendtrans-130.64.8-176.5550000115.6
442L38Very low44.5Very low174 Ų174134.6 Ų134.691%0.91174%0.741SS**  trans-115.241.1178.9-95.6148.1000112.3
443E36.9Very low43.3Very low183 Ų183140.1 Ų140.186%0.85577%0.772SS**  trans-120.574156.7-158.3161.7173.500106.4E445E443-E445 PolarHBondContact O-N 3.5Å; E443-E445 VanDerWaalsContact O-N 3.09Å
444K38.9Very low41.9Very low203 Ų203142.5 Ų142.588%0.88379%0.785SS**  trans-68.6104164.8-87.5-176.6176.6179.40106.4
445E41.2Very low40.9Very low174 Ų174141.8 Ų141.881%0.81379%0.785SS**  trans-47.7139.7168-71.6-172.8128.600110.2E443 L447E443-E445 PolarHBondContact O-N 3.5Å; E443-E445 VanDerWaalsContact O-N 3.09Å; E445-L447 PolarHBondContact O-N 3.26Å
446P41.9Very low40.2Very low113 Ų113141.9 Ų141.973%0.73479%0.786SS**  trans-65.4126.5176.226.6-30.8000109.1K448P446-K448 PolarHBondContact O-N 2.9Å
447L42Very low39.9Very low183 Ų183145.7 Ų145.796%0.95879%0.792SS**  trans-46.8103.9167-96.9134.1000109.1E445E445-L447 PolarHBondContact O-N 3.26Å
448K46Very low40.2Very low197 Ų197151.5 Ų151.586%0.85783%0.827SS**  trans-81.3131.6164.8-88.6-177.8174.1176.70108.4P446P446-K448 PolarHBondContact O-N 2.9Å
449D39.8Very low40.5Very low170 Ų170154.2 Ų154.291%0.90984%0.836SS**  trans-40.3144.1166.7-72.3-46000113
450G42Very low40.7Very low64 Ų64151.6 Ų151.666%0.6683%0.83SS**  trans148.588161.200000114.5
451S37.4Very low41Very low129 Ų129148.4 Ų148.490%0.90283%0.826SS**  trans34.3104.7132.358.90000117.7
452G41.1Very low41.4Very low71 Ų71151.8 Ų151.873%0.73284%0.838SS**  trans-178.583.3166.400000112.4
453I41.5Very low41.6Very low167 Ų167150.4 Ų150.486%0.85683%0.833SS**  trans-66.5140.3163.9-60.8167000107.8
454P41.9Very low41.9Very low120 Ų120148.3 Ų148.378%0.77983%0.832SS**  trans-132.6130.6135.920.7-1.2000113.4
455S40.6Very low42.1Very low90 Ų90144.4 Ų144.463%0.62983%0.828SS**  trans-43.9134.7153.5-1780000112.1
456N43.9Very low42.2Very low122 Ų122142.1 Ų142.165%0.65283%0.829SS**  166.8153.8117.7-83.9-25.6000112
457Y44.4Very low42.2Very low207 Ų207144.5 Ų144.581%0.81284%0.837SS**  trans9686165.3-55.8-72.3000117.5
458V46.1Very low42.2Very low214 Ų214141 Ų141100%1.29783%0.826SS**  trans58.30141.3-169.80000118.5

Retrieved 458 of 458 residues in 1198.3 ms (Link to these results)

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