A0A5K4EU82_SCHMA Loading...

Putative fh1/fh2 domains-containing protein (Formin homolog overexpressed in spleen) (Fhos)

AlphaFold DB , UniProt , Accession A0A5K4EU82, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,471 aa.

>A0A5K4EU82_SCHMA|A0A5K4EU82
MKPISFTILMELPLSSQLPAIHKILHPPHRLEDSTLQLYKFGQAQSEFGSYLDLDSTLQEQWEDLEISADQENSVVLRTKLVVRVKAIIEKLLDANGRELKRSLFSLKQIFQDDKDLVHEFVTHSGLDCLVNVGSRSDQNIQNYILRALGQIMLYVDGMAGVIEHPNILRWLYSLLTSKFRLVVKTALKLQLLFVDYAEMNAMIFVKSVEAYHANTPTSGRPWSYLINILNNEASDLELLIYAMTLLNKTLNSIPDQDTFYDVTDCLEEMGMQKIVQCHLTKKNCDPELAEQLNLYEASLRYEDGEDFDELPLPASGRESLRQGRRMSRVQFMKTPEGEALLSSMHALPTSQSMASDMDRMLSRKSKRFQSVENLQNSGLSKSVTNTNFHPHTKQTEHKLVNAFLAKEGKHNENLSRDDKRKPEMNGYIDNLTKIQFNRLASNENGEATHKLPHFDEPLTNGQVDSPYYNNSVDVDSNGAIKTYRITRSKGISLVYDEELRTRETGACDTSISSTIPYENDNTCEDPKKEVDLTHLDVTDTNSTNLFTLEYMHSTFDIIEQDENLTPTELNSCSDHQYSLKDVVHFTFNEEITLESDRKSTLDTENGMNQSVGNEILQNSQDVSVNGHVEEVNNKEFISEKTESMDDVKGKSIVVPDSPVAGSLKNKIEALSRASQKQSENSTPISPPSVTLSNTTGTVHLLKEKHSSFENAEEPVKPQLPRERTGKILSVKDRFESGISTKPPSSPGSLVSPKKVNTEQTNTPASSILSEAETNVETFWQRCLDKVKRRPLRLKDLDFTDLEAEEQEDGKESPRSLGPGLPPPPPPPFGGGLPPPPPPPGGGGGLPPPPPPPPTALVGAPPPPPPAPGASESSAIPSNLPPAPGTELPKSKKTIRLHWTEWKPTAKDLKMIASTKSSSSVDKPDKATGIGSRFTSALSNNKTKEVKRDVKTIANATVWSEIVPVKLDPDFLEETFENRSSDLKIKKQEVAVKKIEVLDMKRSNAINIGLKVLPPPRTISSAILKMDHSIINREGIEKLLTTMLPTDEECEAIMKAKAEQDGLPLGQAEQFLVTLSAISHLKPRLELWLFKLDYEQNEKEIAEPLNDLKQAVIELINCKTLRYILSVLLSIGNFLNGSTARGFTLDYLGRLPEVKDTKYKNSLLHHVCSIVLDQFPDSTDLHSELGALCRCHRVDWDELPKRLEKLETDSKRAWEHYRLIFSSEKESNKNIKLSEFLTDAMERVICLQMVYRRMSARFRHTLEYLGYSPARASSTSVGYFCRILAEFALEYRTTREKIIEGREKKALARERKRTRGKLIVDVTGLRNAPNDLVQSKDDAELRDLLLRPSNETDSDASSFTATIRRRLHTPGPAPRRLAPPNRGRSPGLLCETSDASMEALDQEQDILLDACLRASTPSINSHGAPGRRVPPKDRRRPTDRSRFSVRRTLNKKLAEDDIKAIEHVIQASAKT
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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
1M36.7Very low62Low212 Ų21299.8 Ų99.8100%1.04452%0.521SS*.  0176.90-62.1175-177.700109.6
2K38.7Very low63.7Low192 Ų19298.3 Ų98.384%0.83551%0.513SS*.  trans-66.8141.4153-88.6-175.8177.2176.60107.3I4K2-I4 PolarHBondContact O-N 3.27Å
3P50.3Low65.4Low81 Ų8194.4 Ų94.453%0.52650%0.497SS..  trans-58.3137.1170.523.2-31.4000109.9S5 S493P3-S5 PolarHBondContact O-N 2.92Å; P3-S493 VanDerWaalsContact CB-OG 3.31Å; P3-S493 WeakPolarHBondContact CB-OG 3.44Å
4I55.9Low66.8Low60 Ų6087.6 Ų87.631%0.30846%0.462SS..BIsolated β-bridgetrans-81112174.4-74.2172.8000106.6K2 F6 I24 L25 L494K2-I4 PolarHBondContact O-N 3.27Å; I4-F6 PolarHBondContact O-N 2.88Å; I4-I24 HydrophobicContact CG2-CG2 3.51Å; I4-L25 HydrophobicContact CB-CD2 4.23Å; I4-L25 HydrophobicContact CD1-CD2 3.84Å; I4-L25 HydrophobicContact CG2-CD2 4.23Å; I4-L494 HydrophobicContact CB-CB 4.5Å; I4-L494 HydrophobicContact CG2-CB 4.47Å; I4-L494 HydrophobicContact CG2-CD1 4.34Å; I4-L494 PolarHBondContact N-O 3.03Å; I4-L494 WeakPolarHBondContact O-CA 3.41Å; I4-L494 WeakPolarHBondContact O-CB 3.47Å; I4-L494 PolarHBondContact O-N 2.86Å
5S57.3Low68.3Low105 Ų10585 Ų8573%0.73445%0.453SS*.  trans-87.2109.2177.255.10000110P3P3-S5 PolarHBondContact O-N 2.92Å
6F66.2Low69.5Low44 Ų4483.9 Ų83.919%0.19346%0.455CS..  trans-105.3146.8169.5-179.4-101.1000109.9I4 I8 A20 I21 I24 L494I4-F6 PolarHBondContact O-N 2.88Å; F6-I8 HydrophobicContact CD1-CG1 3.81Å; F6-I8 HydrophobicContact CE1-CG1 4.1Å; F6-A20 HydrophobicContact CE2-CB 3.85Å; F6-A20 HydrophobicContact CZ-CB 3.97Å; F6-I21 HydrophobicContact CD1-CD1 4.09Å; F6-I21 HydrophobicContact CD1-CG1 3.66Å; F6-I21 HydrophobicContact CE1-CD1 3.93Å; F6-I21 HydrophobicContact CE1-CG1 3.55Å; F6-I21 HydrophobicContact CE2-CG1 4.43Å; F6-I21 HydrophobicContact CG-CG1 4.17Å; F6-I21 HydrophobicContact CZ-CG1 3.96Å; F6-I24 HydrophobicContact CD2-CD1 3.57Å; F6-I24 HydrophobicContact CE2-CD1 3.92Å; F6-L494 HydrophobicContact CB-CD1 3.33Å; F6-L494 HydrophobicContact CB-CG 3.78Å; F6-L494 HydrophobicContact CG-CD1 4.03Å
7T69.1Low70.6Confident85 Ų8579.6 Ų79.652%0.52143%0.431SS..  trans-98.299.9176.2-68.10000108.8L9 I486T7-L9 PolarHBondContact O-N 3.18Å; T7-I486 HydrophobicContact CG2-CD1 3.72Å
8I72.6Confident71.5Confident17 Ų1775.7 Ų75.79%0.08741%0.409CS..  trans-71125.9169.3-55.3176000108.1F6 L14 L58 V75F6-I8 HydrophobicContact CD1-CG1 3.81Å; F6-I8 HydrophobicContact CE1-CG1 4.1Å; I8-L14 HydrophobicContact CG2-CD2 3.72Å; I8-L58 HydrophobicContact CB-CD2 4.26Å; I8-L58 HydrophobicContact CD1-CD2 4.18Å; I8-L58 HydrophobicContact CG2-CB 4.36Å; I8-L58 HydrophobicContact CG2-CD2 3.84Å; I8-V75 HydrophobicContact CD1-CG2 4.32Å
9L76.8Confident72.4Confident97 Ų9774.8 Ų74.851%0.50841%0.408SS..  trans-81.6115.3172.6-62.7172000107.8T7 E11 L12 Q17T7-L9 PolarHBondContact O-N 3.18Å; L9-E11 VanDerWaalsContact C-N 3.3Å; L9-E11 PolarHBondContact O-N 2.86Å; L9-L12 HydrophobicContact CB-CB 4.48Å; L9-L12 HydrophobicContact CB-CD1 4.21Å; L9-L12 HydrophobicContact CB-CG 4.39Å; L9-L12 HydrophobicContact CD1-CD1 3.73Å; L9-L12 PolarHBondContact O-N 3.29Å; L9-Q17 PolarHBondContact O-NE2 3.23Å
10M80.5Confident72.9Confident65 Ų6573.2 Ų73.232%0.3241%0.405SS..THydrogen-bonded Turntrans-69.9-23-167.3-68.1-167.668.100114.6T57 L58 Q59 W62M10-T57 WeakPolarHBondContact O-CB 3.39Å; M10-L58 HydrophobicContact CE-CG 4.45Å; M10-Q59 HydrophobicContact CB-CB 4.28Å; M10-Q59 VanDerWaalsContact O-CB 3.24Å; M10-Q59 WeakPolarHBondContact O-CB 3.19Å; M10-Q59 PolarHBondContact O-N 2.96Å; M10-Q59 VanDerWaalsContact O-N 3.11Å; M10-W62 HydrophobicContact CE-CD2 3.95Å; M10-W62 HydrophobicContact CE-CE3 3.43Å; M10-W62 VanDerWaalsContact CE-CE3 3.43Å; M10-W62 HydrophobicContact CE-CZ3 3.81Å
11E77.6Confident73.3Confident140 Ų14069.7 Ų69.765%0.65439%0.386SS*.THydrogen-bonded Turntrans-98.614.1-178.7-60.1-176-173.900113.6L9L9-E11 VanDerWaalsContact C-N 3.3Å; L9-E11 PolarHBondContact O-N 2.86Å
12L82.5Confident75.6Confident82 Ų8261.2 Ų61.243%0.42934%0.344SS..SBendtrans-117.8139.5173.1-67.6-178.3000111L9 L14 Q17L9-L12 HydrophobicContact CB-CB 4.48Å; L9-L12 HydrophobicContact CB-CD1 4.21Å; L9-L12 HydrophobicContact CB-CG 4.39Å; L9-L12 HydrophobicContact CD1-CD1 3.73Å; L9-L12 PolarHBondContact O-N 3.29Å; L12-L14 PolarHBondContact O-N 3.31Å; L12-Q17 HydrophobicContact CB-CG 4.48Å; L12-Q17 PolarHBondContact O-NE2 3.18Å
13P86.4Confident77.7Confident47 Ų4759.7 Ų59.731%0.30534%0.337SS..BIsolated β-bridgetrans-52.3139.2175.9-30.737.5000112.3S15 S16 S56 T57P13-S15 PolarHBondContact O-N 2.99Å; P13-S16 WeakPolarHBondContact O-CB 3.46Å; P13-S16 PolarHBondContact O-N 2.84Å; P13-S16 VanDerWaalsContact O-N 3.08Å; P13-S16 PolarHBondContact O-OG 2.94Å; P13-S56 WeakPolarHBondContact CA-O 2.82Å; P13-T57 HydrophobicContact CG-CG2 4.42Å
14L85.2Confident79Confident0 Ų059.5 Ų59.50%033%0.331CS..Hα-helixtrans-64-28.8-175.9-75.4173.5000112.4I8 L12 S16 Q17 L18 L36 L52 D53 L54 S56 L58I8-L14 HydrophobicContact CG2-CD2 3.72Å; L12-L14 PolarHBondContact O-N 3.31Å; L14-S16 VanDerWaalsContact C-N 3.3Å; L14-S16 PolarHBondContact O-N 3.11Å; L14-Q17 CarbonylContact O-C 3.13Å; L14-Q17 PolarHBondContact O-N 3.14Å; L14-L18 PolarHBondContact O-N 2.77Å; L14-L36 HydrophobicContact CB-CD1 4.43Å; L14-L36 HydrophobicContact CD2-CD1 4.29Å; L14-L52 HydrophobicContact CD1-CB 3.85Å; L14-L52 HydrophobicContact CD1-CD1 3.76Å; L14-L52 HydrophobicContact CD1-CG 4.42Å; L14-D53 WeakPolarHBondContact CD1-O 3.4Å; L14-L54 CarbonylContact C-O 3.03Å; L14-L54 HydrophobicContact CB-CD2 4.3Å; L14-L54 PolarHBondContact N-O 3.31Å; L14-L54 VanDerWaalsContact N-O 3.14Å; L14-S56 PolarHBondContact N-O 3.48Å; L14-S56 VanDerWaalsContact N-O 3.16Å; L14-L58 HydrophobicContact CD2-CB 4.35Å
15S88.4Confident79.9Confident48 Ų4857.6 Ų57.634%0.33632%0.321SS..Hα-helixtrans-58.6-36.6172.757.10000112.8P13 Q17 P19 L54P13-S15 PolarHBondContact O-N 2.99Å; S15-Q17 VanDerWaalsContact C-N 3.27Å; S15-Q17 PolarHBondContact O-N 3.18Å; S15-P19 VanDerWaalsContact O-CD 3.27Å; S15-P19 WeakPolarHBondContact O-CD 3.18Å; S15-L54 VanDerWaalsContact CB-O 3.24Å; S15-L54 WeakPolarHBondContact CB-O 3.41Å; S15-L54 PolarHBondContact N-O 3.1Å; S15-L54 PolarHBondContact OG-O 2.83Å
16S87.7Confident80.9Confident68 Ų6859.9 Ų59.948%0.47632%0.32SS..Hα-helixtrans-70.9-22175.574.50000113.4P13 L14P13-S16 WeakPolarHBondContact O-CB 3.46Å; P13-S16 PolarHBondContact O-N 2.84Å; P13-S16 VanDerWaalsContact O-N 3.08Å; P13-S16 PolarHBondContact O-OG 2.94Å; L14-S16 VanDerWaalsContact C-N 3.3Å; L14-S16 PolarHBondContact O-N 3.11Å
17Q88.1Confident81.2Confident11 Ų1158.4 Ų58.45%0.05132%0.315CS..Hα-helixtrans-101.7-24.5-175.6-57.2-174.168.800112.6L9 L12 L14 S15 P19 A20 I21L9-Q17 PolarHBondContact O-NE2 3.23Å; L12-Q17 HydrophobicContact CB-CG 4.48Å; L12-Q17 PolarHBondContact O-NE2 3.18Å; L14-Q17 CarbonylContact O-C 3.13Å; L14-Q17 PolarHBondContact O-N 3.14Å; S15-Q17 VanDerWaalsContact C-N 3.27Å; S15-Q17 PolarHBondContact O-N 3.18Å; Q17-P19 VanDerWaalsContact C-N 3.34Å; Q17-A20 WeakPolarHBondContact O-CB 3.34Å; Q17-A20 PolarHBondContact O-N 3.18Å; Q17-I21 PolarHBondContact O-N 3.41Å; Q17-I21 VanDerWaalsContact O-N 3.11Å
18L86.9Confident81.3Confident8 Ų858 Ų584%0.04231%0.314CS..Hα-helixtrans-51.9-38.8176.8-169.466.8000114.2L14 A20 I21 H22 L31 L36 L54 L77L14-L18 PolarHBondContact O-N 2.77Å; L18-A20 VanDerWaalsContact C-N 3.28Å; L18-A20 PolarHBondContact O-N 2.86Å; L18-I21 PolarHBondContact O-N 3.29Å; L18-H22 VanDerWaalsContact O-CB 3.22Å; L18-H22 WeakPolarHBondContact O-CB 3.2Å; L18-H22 PolarHBondContact O-N 2.88Å; L18-L31 HydrophobicContact CB-CD1 4.43Å; L18-L31 HydrophobicContact CD2-CD1 4.1Å; L18-L31 HydrophobicContact CG-CD1 3.84Å; L18-L36 HydrophobicContact CD1-CD1 4.31Å; L18-L36 HydrophobicContact CD1-CD2 3.93Å; L18-L36 HydrophobicContact CD1-CG 3.97Å; L18-L54 HydrophobicContact CD2-CD1 3.97Å; L18-L54 HydrophobicContact CD2-CD2 4.26Å; L18-L77 HydrophobicContact CD1-CD1 3.65Å
19P88Confident81.3Confident59 Ų5960.1 Ų60.138%0.38332%0.323SS..Hα-helixtrans-61.4-35176.1-20.730.6000113S15 Q17 K23 L31S15-P19 VanDerWaalsContact O-CD 3.27Å; S15-P19 WeakPolarHBondContact O-CD 3.18Å; Q17-P19 VanDerWaalsContact C-N 3.34Å; P19-K23 WeakPolarHBondContact O-CB 3.16Å; P19-K23 PolarHBondContact O-N 2.66Å; P19-L31 HydrophobicContact CB-CD2 4.03Å; P19-L31 HydrophobicContact CG-CD2 4.05Å
20A83.1Confident81.5Confident42 Ų4263.6 Ų63.635%0.34733%0.329SS..Hα-helixtrans-74.9-41.2176.700000111.5F6 Q17 L18 K23 I24F6-A20 HydrophobicContact CE2-CB 3.85Å; F6-A20 HydrophobicContact CZ-CB 3.97Å; Q17-A20 WeakPolarHBondContact O-CB 3.34Å; Q17-A20 PolarHBondContact O-N 3.18Å; L18-A20 VanDerWaalsContact C-N 3.28Å; L18-A20 PolarHBondContact O-N 2.86Å; A20-K23 PolarHBondContact O-N 2.77Å; A20-I24 WeakPolarHBondContact O-CD1 3.19Å; A20-I24 WeakPolarHBondContact O-CG1 3.46Å; A20-I24 PolarHBondContact O-N 2.93Å
21I82.1Confident81.6Confident0 Ų063.9 Ų63.90%033%0.332CS..Hα-helixtrans-58.5-50.9173.9-68.1172.8000110.4F6 Q17 L18 I24 L25 L36 L77 L494F6-I21 HydrophobicContact CD1-CD1 4.09Å; F6-I21 HydrophobicContact CD1-CG1 3.66Å; F6-I21 HydrophobicContact CE1-CD1 3.93Å; F6-I21 HydrophobicContact CE1-CG1 3.55Å; F6-I21 HydrophobicContact CE2-CG1 4.43Å; F6-I21 HydrophobicContact CG-CG1 4.17Å; F6-I21 HydrophobicContact CZ-CG1 3.96Å; Q17-I21 PolarHBondContact O-N 3.41Å; Q17-I21 VanDerWaalsContact O-N 3.11Å; L18-I21 PolarHBondContact O-N 3.29Å; I21-I24 PolarHBondContact O-N 3.15Å; I21-L25 HydrophobicContact CG2-CD1 3.89Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 WeakPolarHBondContact O-CG 3.48Å; I21-L25 PolarHBondContact O-N 2.9Å; I21-L36 HydrophobicContact CD1-CD1 4.08Å; I21-L36 HydrophobicContact CD1-CD2 4.38Å; I21-L36 HydrophobicContact CG2-CD2 4.24Å; I21-L77 HydrophobicContact CG2-CD1 4.18Å; I21-L494 HydrophobicContact CB-CD1 4.41Å; I21-L494 HydrophobicContact CG1-CD1 4.24Å; I21-L494 HydrophobicContact CG2-CD1 3.89Å; I21-L494 HydrophobicContact CG2-CD2 4.18Å
22H84.3Confident82Confident35 Ų3562.7 Ų62.716%0.16233%0.326CS..Hα-helixtrans-58.9-51.4177.6-174.4-70.8000111.3L18 I24 L25 H26 P27 H29 L31 S34L18-H22 VanDerWaalsContact O-CB 3.22Å; L18-H22 WeakPolarHBondContact O-CB 3.2Å; L18-H22 PolarHBondContact O-N 2.88Å; H22-I24 PolarHBondContact O-N 3.49Å; H22-L25 PolarHBondContact O-N 2.85Å; H22-H26 PolarHBondContact O-N 3.31Å; H22-P27 WeakPolarHBondContact CD2-CG 3.37Å; H22-P27 VanDerWaalsContact NE2-CG 3.32Å; H22-P27 WeakPolarHBondContact NE2-CG 3.21Å; H22-P27 WeakPolarHBondContact O-CD 3.4Å; H22-H29 PolarHBondContact NE2-O 3.41Å; H22-L31 HydrophobicContact CB-CD1 3.81Å; H22-L31 PolarHBondContact NE2-N 3.12Å; H22-S34 PolarHBondContact CD2-OG 3.42Å
23K83.1Confident82.1Confident160 Ų16060.7 Ų60.770%0.69632%0.316SS*.Hα-helixtrans-61.1-24.8177.8-176.8170.8-179174.60114.2P19 A20 H26P19-K23 WeakPolarHBondContact O-CB 3.16Å; P19-K23 PolarHBondContact O-N 2.66Å; A20-K23 PolarHBondContact O-N 2.77Å; K23-H26 PolarHBondContact O-CE1 2.92Å; K23-H26 PolarHBondContact O-ND1 3.11Å; K23-H26 PolarHBondContact O-NE2 3.47Å
24I77.3Confident82.1Confident76 Ų7658.6 Ų58.639%0.3930%0.303SS..Hα-helixtrans-85.4-42.8175.5-66.4164.2000110.7I4 F6 A20 I21 H22 H26I4-I24 HydrophobicContact CG2-CG2 3.51Å; F6-I24 HydrophobicContact CD2-CD1 3.57Å; F6-I24 HydrophobicContact CE2-CD1 3.92Å; A20-I24 WeakPolarHBondContact O-CD1 3.19Å; A20-I24 WeakPolarHBondContact O-CG1 3.46Å; A20-I24 PolarHBondContact O-N 2.93Å; I21-I24 PolarHBondContact O-N 3.15Å; H22-I24 PolarHBondContact O-N 3.49Å; I24-H26 VanDerWaalsContact C-N 3.34Å; I24-H26 PolarHBondContact O-N 2.92Å; I24-H26 PolarHBondContact O-ND1 3.4Å
25L74.6Confident82.2Confident21 Ų2159.2 Ų59.211%0.1131%0.307CS..Hα-helixtrans-74.7-20.3-178.5-67.6178.8000113.9I4 I21 H22 L77 L494I4-L25 HydrophobicContact CB-CD2 4.23Å; I4-L25 HydrophobicContact CD1-CD2 3.84Å; I4-L25 HydrophobicContact CG2-CD2 4.23Å; I21-L25 HydrophobicContact CG2-CD1 3.89Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 WeakPolarHBondContact O-CG 3.48Å; I21-L25 PolarHBondContact O-N 2.9Å; H22-L25 PolarHBondContact O-N 2.85Å; L25-L77 HydrophobicContact CD1-CB 3.81Å; L25-L77 HydrophobicContact CD1-CD2 4.05Å; L25-L77 HydrophobicContact CD1-CG 4.46Å; L25-L494 HydrophobicContact CD1-CB 4.38Å; L25-L494 HydrophobicContact CD1-CD1 4.25Å; L25-L494 HydrophobicContact CD2-CB 4.1Å; L25-L494 HydrophobicContact CD2-CD1 4.38Å; L25-L494 HydrophobicContact CG-CD1 4.26Å
26H78.4Confident82.1Confident152 Ų15257 Ų5770%0.70429%0.291SS*.  trans49.349.7-177-61.278.3000113.9H22 K23 I24H22-H26 PolarHBondContact O-N 3.31Å; K23-H26 PolarHBondContact O-CE1 2.92Å; K23-H26 PolarHBondContact O-ND1 3.11Å; K23-H26 PolarHBondContact O-NE2 3.47Å; I24-H26 VanDerWaalsContact C-N 3.34Å; I24-H26 PolarHBondContact O-N 2.92Å; I24-H26 PolarHBondContact O-ND1 3.4Å
27P71.6Confident81.9Confident13 Ų1354 Ų548%0.08427%0.269CS..  trans-70153.3-178.836-39.5000111.1H22 H29 L77 Y496H22-P27 WeakPolarHBondContact CD2-CG 3.37Å; H22-P27 VanDerWaalsContact NE2-CG 3.32Å; H22-P27 WeakPolarHBondContact NE2-CG 3.21Å; H22-P27 WeakPolarHBondContact O-CD 3.4Å; P27-H29 VanDerWaalsContact C-N 3.28Å; P27-H29 PolarHBondContact O-N 3.05Å; P27-L77 HydrophobicContact CB-CD2 3.88Å; P27-L77 HydrophobicContact CG-CD2 3.68Å; P27-Y496 HydrophobicContact CB-CD2 3.77Å; P27-Y496 HydrophobicContact CB-CE2 3.41Å; P27-Y496 VanDerWaalsContact CB-CE2 3.41Å
28P72.1Confident81.6Confident78 Ų7853.7 Ų53.751%0.50627%0.268SS..SBendtrans-74.2-15.2177.230.7-36.3000114.1Y496P28-Y496 WeakPolarHBondContact CD-OH 3.24Å
29H71.8Confident81.1Confident61 Ų6155.9 Ų55.928%0.28228%0.276SS..SBendtrans-82.4153.3177.9-65.293.7000111.2H22 P27 T79H22-H29 PolarHBondContact NE2-O 3.41Å; P27-H29 VanDerWaalsContact C-N 3.28Å; P27-H29 PolarHBondContact O-N 3.05Å; H29-T79 PolarHBondContact CE1-OG1 2.85Å; H29-T79 PolarHBondContact NE2-OG1 2.78Å
30R82.2Confident80.5Confident169 Ų16954.3 Ų54.364%0.63826%0.263SS*.  trans-67.5158.7175.1-52.7-177.8178.5-1762.4110.7E32 D33 S34R30-E32 VanDerWaalsContact C-N 3.27Å; R30-E32 HydrophobicContact CB-CG 3.79Å; R30-E32 WeakPolarHBondContact CD-OE1 3.14Å; R30-E32 IonicContact CZ-OE1 3.69Å; R30-E32 IonicContact NE-OE1 3.76Å; R30-E32 IonicContact NH1-OE1 2.73Å; R30-E32 PolarHBondContact NH1-OE1 2.8Å; R30-E32 PolarHBondContact O-N 3.26Å; R30-D33 VanDerWaalsContact CB-OD2 3.31Å; R30-D33 WeakPolarHBondContact CB-OD2 3.47Å; R30-D33 PolarHBondContact O-N 3.48Å; R30-S34 PolarHBondContact O-N 3.39Å; R30-S34 PolarHBondContact O-OG 3.46Å
31L82.9Confident79.8Confident72 Ų7256.6 Ų56.638%0.37727%0.265SS..SBendtrans-60.7-39.5175.8176.962000111.5L18 P19 H22 D33 S34L18-L31 HydrophobicContact CB-CD1 4.43Å; L18-L31 HydrophobicContact CD2-CD1 4.1Å; L18-L31 HydrophobicContact CG-CD1 3.84Å; P19-L31 HydrophobicContact CB-CD2 4.03Å; P19-L31 HydrophobicContact CG-CD2 4.05Å; H22-L31 HydrophobicContact CB-CD1 3.81Å; H22-L31 PolarHBondContact NE2-N 3.12Å; L31-D33 VanDerWaalsContact C-N 3.29Å; L31-D33 PolarHBondContact O-N 3.22Å; L31-S34 WeakPolarHBondContact O-CB 3.37Å; L31-S34 PolarHBondContact O-N 3.2Å
32E84.6Confident78.7Confident114 Ų11457.7 Ų57.753%0.53328%0.277SS..THydrogen-bonded Turntrans-63.7-28.7177.761-164.9175.700113.9R30 K80R30-E32 VanDerWaalsContact C-N 3.27Å; R30-E32 HydrophobicContact CB-CG 3.79Å; R30-E32 WeakPolarHBondContact CD-OE1 3.14Å; R30-E32 IonicContact CZ-OE1 3.69Å; R30-E32 IonicContact NE-OE1 3.76Å; R30-E32 IonicContact NH1-OE1 2.73Å; R30-E32 PolarHBondContact NH1-OE1 2.8Å; R30-E32 PolarHBondContact O-N 3.26Å; E32-K80 WeakPolarHBondContact O-CD 3.39Å; E32-K80 VanDerWaalsContact O-CE 3.24Å; E32-K80 WeakPolarHBondContact O-CE 3.35Å; E32-K80 PolarHBondContact O-NZ 2.91Å
33D86.3Confident77.2Confident41 Ų4163.7 Ų63.722%0.21931%0.305CS..THydrogen-bonded Turntrans-85.3-7.8177.4-58.2-47.9000113.5R30 L31 T79 K80 V83R30-D33 VanDerWaalsContact CB-OD2 3.31Å; R30-D33 WeakPolarHBondContact CB-OD2 3.47Å; R30-D33 PolarHBondContact O-N 3.48Å; L31-D33 VanDerWaalsContact C-N 3.29Å; L31-D33 PolarHBondContact O-N 3.22Å; D33-T79 HydrophobicContact CB-CG2 4.36Å; D33-T79 CarbonylContact O-C 3.59Å; D33-T79 WeakPolarHBondContact O-CA 3.29Å; D33-K80 WeakPolarHBondContact O-CG 3.28Å; D33-K80 PolarHBondContact O-N 3.44Å; D33-V83 HydrophobicContact CB-CG2 4.44Å
34S85.6Confident75.8Confident3 Ų360.2 Ų60.22%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-91.6146.5-169.6-62.40000112.9H22 R30 L31 R78 K80H22-S34 PolarHBondContact CD2-OG 3.42Å; R30-S34 PolarHBondContact O-N 3.39Å; R30-S34 PolarHBondContact O-OG 3.46Å; L31-S34 WeakPolarHBondContact O-CB 3.37Å; L31-S34 PolarHBondContact O-N 3.2Å; S34-R78 CarbonylContact C-O 2.98Å; S34-K80 VanDerWaalsContact O-CE 3.23Å; S34-K80 WeakPolarHBondContact O-CE 3.45Å
35T87.4Confident74.8Confident13 Ų1364.5 Ų64.58%0.0832%0.324CS..EExtended strand (participates in β ladder)trans-145.8175.4171.6-168.60000110.9Y51 R78 K80T35-Y51 HydrophobicContact CG2-CD1 3.84Å; T35-Y51 HydrophobicContact CG2-CE1 4.1Å; T35-R78 HydrophobicContact CG2-CB 3.9Å; T35-R78 PolarHBondContact N-O 3.25Å; T35-R78 PolarHBondContact O-N 3.19Å; T35-R78 VanDerWaalsContact O-O 3.13Å; T35-K80 HydrophobicContact CG2-CG 4.17Å
36L86.3Confident74.3Confident0 Ų065.9 Ų65.90%034%0.336CS..EExtended strand (participates in β ladder)trans-116.9141.1-178.6-59.6172.4000110.2L14 L18 I21 L52 L54 V75 V76 L77L14-L36 HydrophobicContact CB-CD1 4.43Å; L14-L36 HydrophobicContact CD2-CD1 4.29Å; L18-L36 HydrophobicContact CD1-CD1 4.31Å; L18-L36 HydrophobicContact CD1-CD2 3.93Å; L18-L36 HydrophobicContact CD1-CG 3.97Å; I21-L36 HydrophobicContact CD1-CD1 4.08Å; I21-L36 HydrophobicContact CD1-CD2 4.38Å; I21-L36 HydrophobicContact CG2-CD2 4.24Å; L36-L52 HydrophobicContact CB-CB 4.18Å; L36-L52 HydrophobicContact CB-CD1 3.82Å; L36-L52 HydrophobicContact CB-CG 4.11Å; L36-L52 HydrophobicContact CD1-CD1 4.4Å; L36-L52 PolarHBondContact O-N 3.17Å; L36-L54 HydrophobicContact CD1-CD2 4.22Å; L36-L54 HydrophobicContact CG-CD2 4.21Å; L36-V75 HydrophobicContact CB-CG1 3.8Å; L36-V75 HydrophobicContact CD1-CG1 4.28Å; L36-V75 HydrophobicContact CD2-CG1 3.9Å; L36-V75 HydrophobicContact CG-CG1 4.2Å; L36-V76 WeakPolarHBondContact CA-O 3.24Å; L36-L77 HydrophobicContact CD2-CD1 3.66Å
37Q84.1Confident74Confident6 Ų664.1 Ų64.13%0.02833%0.328CS..EExtended strand (participates in β ladder)trans-130.8140.6175-169.7179.228.200110F48 G49 Y51 V76 R78Q37-F48 HydrophobicContact CG-CD1 4.5Å; Q37-G49 WeakPolarHBondContact CG-O 3.39Å; Q37-G49 PolarHBondContact NE2-O 3.49Å; Q37-G49 VanDerWaalsContact NE2-O 3.12Å; Q37-Y51 HydrophobicContact CB-CD1 4.01Å; Q37-Y51 HydrophobicContact CB-CE1 4.13Å; Q37-Y51 HydrophobicContact CG-CD1 4.21Å; Q37-Y51 HydrophobicContact CG-CD2 4.48Å; Q37-Y51 HydrophobicContact CG-CE1 4.27Å; Q37-Y51 HydrophobicContact CG-CG 4.32Å; Q37-V76 PolarHBondContact N-O 3.3Å; Q37-V76 PolarHBondContact O-N 2.9Å; Q37-R78 HydrophobicContact CB-CG 3.77Å
38L81.4Confident74.1Confident5 Ų567.7 Ų67.73%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-74.1138.3174.2-17665.5000110.6K40 G49 S50 L52 L65 I67 N73L38-K40 HydrophobicContact CD2-CD 4.41Å; L38-K40 HydrophobicContact CD2-CG 4.01Å; L38-K40 HydrophobicContact CG-CG 4.17Å; L38-G49 PolarHBondContact O-N 3.24Å; L38-S50 PolarHBondContact N-O 3.42Å; L38-L52 HydrophobicContact CB-CD2 4.46Å; L38-L65 HydrophobicContact CD2-CB 4.13Å; L38-L65 HydrophobicContact CD2-CD2 4.19Å; L38-I67 HydrophobicContact CD1-CD1 3.89Å; L38-I67 HydrophobicContact CD2-CD1 3.87Å; L38-I67 HydrophobicContact CD2-CG1 3.89Å; L38-N73 HydrophobicContact CD1-CB 4.1Å
39Y76.5Confident74.2Confident53 Ų5364.8 Ų64.821%0.20833%0.327CS..EExtended strand (participates in β ladder)trans-122.4118.5169.3-172.4-106.8000110.1F41 S46 E47 F48 N73 S74 V76Y39-F41 AromaticContact CD1-CD2 3.88Å; Y39-F41 HydrophobicContact CD1-CD2 3.88Å; Y39-F41 HydrophobicContact CD1-CE1 4.33Å; Y39-F41 AromaticContact CD1-CE2 3.48Å; Y39-F41 HydrophobicContact CD1-CE2 3.48Å; Y39-F41 VanDerWaalsContact CD1-CE2 3.48Å; Y39-F41 HydrophobicContact CD1-CG 4.48Å; Y39-F41 AromaticContact CD1-CZ 3.75Å; Y39-F41 HydrophobicContact CD1-CZ 3.75Å; Y39-F41 HydrophobicContact CE1-CD1 4.13Å; Y39-F41 HydrophobicContact CE1-CD2 4.14Å; Y39-F41 AromaticContact CE1-CE1 3.77Å; Y39-F41 HydrophobicContact CE1-CE1 3.77Å; Y39-F41 AromaticContact CE1-CE2 3.79Å; Y39-F41 HydrophobicContact CE1-CE2 3.79Å; Y39-F41 HydrophobicContact CE1-CG 4.32Å; Y39-F41 AromaticContact CE1-CZ 3.6Å; Y39-F41 HydrophobicContact CE1-CZ 3.6Å; Y39-S46 VanDerWaalsContact OH-CB 3.28Å; Y39-S46 WeakPolarHBondContact OH-CB 3.17Å; Y39-E47 WeakPolarHBondContact CD2-O 3.49Å; Y39-F48 AromaticContact CD2-CD1 3.52Å; Y39-F48 HydrophobicContact CD2-CD1 3.52Å; Y39-F48 HydrophobicContact CD2-CD2 4.05Å; Y39-F48 AromaticContact CD2-CE1 3.41Å; Y39-F48 HydrophobicContact CD2-CE1 3.41Å; Y39-F48 VanDerWaalsContact CD2-CE1 3.41Å; Y39-F48 AromaticContact CD2-CE2 3.97Å; Y39-F48 HydrophobicContact CD2-CE2 3.97Å; Y39-F48 AromaticContact CD2-CG 3.81Å; Y39-F48 HydrophobicContact CD2-CG 3.81Å; Y39-F48 AromaticContact CD2-CZ 3.64Å; Y39-F48 HydrophobicContact CD2-CZ 3.64Å; Y39-F48 HydrophobicContact CE2-CD1 4.25Å; Y39-F48 AromaticContact CE2-CD2 4Å; Y39-F48 HydrophobicContact CE2-CD2 4Å; Y39-F48 AromaticContact CE2-CE1 3.95Å; Y39-F48 HydrophobicContact CE2-CE1 3.95Å; Y39-F48 AromaticContact CE2-CE2 3.7Å; Y39-F48 HydrophobicContact CE2-CE2 3.7Å; Y39-F48 HydrophobicContact CE2-CG 4.25Å; Y39-F48 AromaticContact CE2-CZ 3.65Å; Y39-F48 HydrophobicContact CE2-CZ 3.65Å; Y39-F48 HydrophobicContact CG-CD1 4.4Å; Y39-F48 HydrophobicContact CG-CE1 4.2Å; Y39-N73 WeakPolarHBondContact O-CA 3.46Å; Y39-S74 PolarHBondContact N-O 3.49Å; Y39-S74 PolarHBondContact O-N 3.48Å; Y39-V76 HydrophobicContact CG-CG2 4.43Å
40K75.2Confident74.5Confident27 Ų2764.3 Ų64.312%0.11733%0.33CS..EExtended strand (participates in β ladder)trans-98.5118.2-174.9-59.4-172.4-178.4-168.80110.3L38 G42 S46 E47 L65 E66 N73L38-K40 HydrophobicContact CD2-CD 4.41Å; L38-K40 HydrophobicContact CD2-CG 4.01Å; L38-K40 HydrophobicContact CG-CG 4.17Å; K40-G42 VanDerWaalsContact C-N 3.32Å; K40-G42 PolarHBondContact O-N 2.83Å; K40-S46 CarbonylContact O-C 3.54Å; K40-S46 VanDerWaalsContact O-CA 3.25Å; K40-S46 WeakPolarHBondContact O-CA 3.21Å; K40-E47 HydrophobicContact CB-CG 4.23Å; K40-E47 PolarHBondContact N-O 3.01Å; K40-E47 PolarHBondContact O-N 3.05Å; K40-L65 WeakPolarHBondContact CE-O 3.26Å; K40-L65 PolarHBondContact NZ-O 2.88Å; K40-E66 PolarHBondContact NZ-O 2.7Å; K40-N73 WeakPolarHBondContact CA-OD1 3.48Å
41F67.1Low74.7Confident89 Ų8957.9 Ų57.939%0.3931%0.306SS..  trans-84.873.8175.2-67.8-102.6000111.6Y39 E72Y39-F41 AromaticContact CD1-CD2 3.88Å; Y39-F41 HydrophobicContact CD1-CD2 3.88Å; Y39-F41 HydrophobicContact CD1-CE1 4.33Å; Y39-F41 AromaticContact CD1-CE2 3.48Å; Y39-F41 HydrophobicContact CD1-CE2 3.48Å; Y39-F41 VanDerWaalsContact CD1-CE2 3.48Å; Y39-F41 HydrophobicContact CD1-CG 4.48Å; Y39-F41 AromaticContact CD1-CZ 3.75Å; Y39-F41 HydrophobicContact CD1-CZ 3.75Å; Y39-F41 HydrophobicContact CE1-CD1 4.13Å; Y39-F41 HydrophobicContact CE1-CD2 4.14Å; Y39-F41 AromaticContact CE1-CE1 3.77Å; Y39-F41 HydrophobicContact CE1-CE1 3.77Å; Y39-F41 AromaticContact CE1-CE2 3.79Å; Y39-F41 HydrophobicContact CE1-CE2 3.79Å; Y39-F41 HydrophobicContact CE1-CG 4.32Å; Y39-F41 AromaticContact CE1-CZ 3.6Å; Y39-F41 HydrophobicContact CE1-CZ 3.6Å; F41-E72 VanDerWaalsContact CB-O 3.24Å; F41-E72 WeakPolarHBondContact CB-O 3.45Å; F41-E72 WeakPolarHBondContact CD2-O 3.29Å; F41-E72 PolarHBondContact N-O 3.19Å
42G60.2Low74.8Confident23 Ų2354.8 Ų54.824%0.23729%0.29CS..  trans-62.3147.4168.500000112.2K40 A44 Q45K40-G42 VanDerWaalsContact C-N 3.32Å; K40-G42 PolarHBondContact O-N 2.83Å; G42-A44 PolarHBondContact O-N 2.92Å; G42-Q45 CarbonylContact C-O 3.46Å; G42-Q45 WeakPolarHBondContact CA-O 3.12Å; G42-Q45 PolarHBondContact N-O 2.73Å
43Q52.8Low74.9Confident161 Ų16152.2 Ų52.275%0.75228%0.28SS*.SBendtrans-69.2-14.5-175.2-66.3-172.7-100114.7
44A54.4Low75Confident88 Ų8851.2 Ų51.273%0.72727%0.274SS*.SBendtrans-115.8-41.4-177.400000112.8G42G42-A44 PolarHBondContact O-N 2.92Å
45Q54.9Low75.1Confident165 Ų16556.9 Ų56.977%0.77131%0.305SS*.  trans-137.3143.7168.1-71.4175.3-92.400107.6G42G42-Q45 CarbonylContact C-O 3.46Å; G42-Q45 WeakPolarHBondContact CA-O 3.12Å; G42-Q45 PolarHBondContact N-O 2.73Å
46S65Low75Confident51 Ų5157.9 Ų57.936%0.35731%0.312SS..  trans-103.6130.9169.7-54.40000107.8Y39 K40Y39-S46 VanDerWaalsContact OH-CB 3.28Å; Y39-S46 WeakPolarHBondContact OH-CB 3.17Å; K40-S46 CarbonylContact O-C 3.54Å; K40-S46 VanDerWaalsContact O-CA 3.25Å; K40-S46 WeakPolarHBondContact O-CA 3.21Å
47E71.4Confident75Confident115 Ų11558.7 Ų58.754%0.53732%0.317SS..EExtended strand (participates in β ladder)trans-132148.7-164.864.6-173.9-176.800112.1Y39 K40Y39-E47 WeakPolarHBondContact CD2-O 3.49Å; K40-E47 HydrophobicContact CB-CG 4.23Å; K40-E47 PolarHBondContact N-O 3.01Å; K40-E47 PolarHBondContact O-N 3.05Å
48F74Confident74.8Confident87 Ų8758.7 Ų58.738%0.38232%0.317SS..EExtended strand (participates in β ladder)trans-77.9122.2168.4-68.8-79.5000108.8Q37 Y39 V76Q37-F48 HydrophobicContact CG-CD1 4.5Å; Y39-F48 AromaticContact CD2-CD1 3.52Å; Y39-F48 HydrophobicContact CD2-CD1 3.52Å; Y39-F48 HydrophobicContact CD2-CD2 4.05Å; Y39-F48 AromaticContact CD2-CE1 3.41Å; Y39-F48 HydrophobicContact CD2-CE1 3.41Å; Y39-F48 VanDerWaalsContact CD2-CE1 3.41Å; Y39-F48 AromaticContact CD2-CE2 3.97Å; Y39-F48 HydrophobicContact CD2-CE2 3.97Å; Y39-F48 AromaticContact CD2-CG 3.81Å; Y39-F48 HydrophobicContact CD2-CG 3.81Å; Y39-F48 AromaticContact CD2-CZ 3.64Å; Y39-F48 HydrophobicContact CD2-CZ 3.64Å; Y39-F48 HydrophobicContact CE2-CD1 4.25Å; Y39-F48 AromaticContact CE2-CD2 4Å; Y39-F48 HydrophobicContact CE2-CD2 4Å; Y39-F48 AromaticContact CE2-CE1 3.95Å; Y39-F48 HydrophobicContact CE2-CE1 3.95Å; Y39-F48 AromaticContact CE2-CE2 3.7Å; Y39-F48 HydrophobicContact CE2-CE2 3.7Å; Y39-F48 HydrophobicContact CE2-CG 4.25Å; Y39-F48 AromaticContact CE2-CZ 3.65Å; Y39-F48 HydrophobicContact CE2-CZ 3.65Å; Y39-F48 HydrophobicContact CG-CD1 4.4Å; Y39-F48 HydrophobicContact CG-CE1 4.2Å; F48-V76 HydrophobicContact CE1-CG1 4.35Å; F48-V76 HydrophobicContact CE1-CG2 4.21Å
49G73.5Confident74.7Confident17 Ų1763.3 Ų63.318%0.17534%0.339CS..EExtended strand (participates in β ladder)trans-86.5-158172.400000111.6Q37 L38Q37-G49 WeakPolarHBondContact CG-O 3.39Å; Q37-G49 PolarHBondContact NE2-O 3.49Å; Q37-G49 VanDerWaalsContact NE2-O 3.12Å; L38-G49 PolarHBondContact O-N 3.24Å
50S79Confident75Confident51 Ų5167.1 Ų67.136%0.35736%0.358SS..EExtended strand (participates in β ladder)trans-57.5146.5175.736.90000112.8L38L38-S50 PolarHBondContact N-O 3.42Å
51Y85.5Confident75.4Confident34 Ų3467.3 Ų67.313%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-62.7138.5155.8-70-89.9000108.8T35 Q37 R78 L81 R84 D114 D116T35-Y51 HydrophobicContact CG2-CD1 3.84Å; T35-Y51 HydrophobicContact CG2-CE1 4.1Å; Q37-Y51 HydrophobicContact CB-CD1 4.01Å; Q37-Y51 HydrophobicContact CB-CE1 4.13Å; Q37-Y51 HydrophobicContact CG-CD1 4.21Å; Q37-Y51 HydrophobicContact CG-CD2 4.48Å; Q37-Y51 HydrophobicContact CG-CE1 4.27Å; Q37-Y51 HydrophobicContact CG-CG 4.32Å; Y51-R78 HydrophobicContact CE1-CB 3.98Å; Y51-R78 HydrophobicContact CE1-CG 4Å; Y51-L81 HydrophobicContact CD2-CD1 4.03Å; Y51-L81 HydrophobicContact CD2-CG 4.44Å; Y51-L81 HydrophobicContact CE1-CD2 4.37Å; Y51-L81 HydrophobicContact CE1-CG 4.39Å; Y51-L81 HydrophobicContact CE2-CD1 4.04Å; Y51-L81 HydrophobicContact CE2-CD2 3.72Å; Y51-L81 HydrophobicContact CE2-CG 4.1Å; Y51-L81 HydrophobicContact CG-CD1 4.49Å; Y51-R84 PolarHBondContact OH-NH1 3.17Å; Y51-D114 PolarHBondContact OH-OD2 3.03Å; Y51-D116 HydrophobicContact CD2-CB 4.41Å; Y51-D116 HydrophobicContact CE2-CB 4.21Å
52L85.6Confident75.9Confident8 Ų867.2 Ų67.24%0.04236%0.357CS..PPolyproline II helixtrans-78.9145174.9-52.1-174.6000108.9L14 L36 L38 L58 L65 V75L14-L52 HydrophobicContact CD1-CB 3.85Å; L14-L52 HydrophobicContact CD1-CD1 3.76Å; L14-L52 HydrophobicContact CD1-CG 4.42Å; L36-L52 HydrophobicContact CB-CB 4.18Å; L36-L52 HydrophobicContact CB-CD1 3.82Å; L36-L52 HydrophobicContact CB-CG 4.11Å; L36-L52 HydrophobicContact CD1-CD1 4.4Å; L36-L52 PolarHBondContact O-N 3.17Å; L38-L52 HydrophobicContact CB-CD2 4.46Å; L52-L58 HydrophobicContact CD1-CD1 4.5Å; L52-L65 HydrophobicContact CD2-CD1 4.2Å; L52-L65 HydrophobicContact CD2-CD2 3.44Å; L52-L65 VanDerWaalsContact CD2-CD2 3.44Å; L52-L65 HydrophobicContact CD2-CG 4.47Å; L52-V75 HydrophobicContact CD1-CG1 3.93Å; L52-V75 HydrophobicContact CD1-CG2 4.36Å
53D87.4Confident76.6Confident59 Ų5974.8 Ų74.832%0.31639%0.386SS..PPolyproline II helixtrans-74.1134.1165.5177.523.4000108.1L14 D55 S56 Q61L14-D53 WeakPolarHBondContact CD1-O 3.4Å; D53-D55 PolarHBondContact OD1-N 3.03Å; D53-S56 VanDerWaalsContact OD2-CB 3.23Å; D53-S56 WeakPolarHBondContact OD2-CB 3.35Å; D53-S56 PolarHBondContact OD2-N 3.47Å; D53-S56 PolarHBondContact OD2-OG 3.38Å; D53-Q61 VanDerWaalsContact CB-NE2 3.28Å
54L88.7Confident77.4Confident20 Ų2073.6 Ų73.611%0.10539%0.385CS..SBendtrans-81.7-27.3178.5-63.4176.9000111.2L14 S15 L18 L36L14-L54 CarbonylContact C-O 3.03Å; L14-L54 HydrophobicContact CB-CD2 4.3Å; L14-L54 PolarHBondContact N-O 3.31Å; L14-L54 VanDerWaalsContact N-O 3.14Å; S15-L54 VanDerWaalsContact CB-O 3.24Å; S15-L54 WeakPolarHBondContact CB-O 3.41Å; S15-L54 PolarHBondContact N-O 3.1Å; S15-L54 PolarHBondContact OG-O 2.83Å; L18-L54 HydrophobicContact CD2-CD1 3.97Å; L18-L54 HydrophobicContact CD2-CD2 4.26Å; L36-L54 HydrophobicContact CD1-CD2 4.22Å; L36-L54 HydrophobicContact CG-CD2 4.21Å
55D87.4Confident78.2Confident123 Ų12369.6 Ų69.666%0.65835%0.351SS*.SBendtrans-88.3-23.4-174-62.7-38.5000112.8D53D53-D55 PolarHBondContact OD1-N 3.03Å
56S85.4Confident78.6Confident34 Ų3466.9 Ų66.924%0.23834%0.338CS..SBendtrans-74.2159.9165.6-620000113.8P13 L14 D53P13-S56 WeakPolarHBondContact CA-O 2.82Å; L14-S56 PolarHBondContact N-O 3.48Å; L14-S56 VanDerWaalsContact N-O 3.16Å; D53-S56 VanDerWaalsContact OD2-CB 3.23Å; D53-S56 WeakPolarHBondContact OD2-CB 3.35Å; D53-S56 PolarHBondContact OD2-N 3.47Å; D53-S56 PolarHBondContact OD2-OG 3.38Å
57T84.4Confident78.6Confident16 Ų1666.2 Ų66.210%0.09833%0.33CS..BIsolated β-bridgetrans-82.1155.5166.771.50000111.8M10 P13 Q59 E60 Q61M10-T57 WeakPolarHBondContact O-CB 3.39Å; P13-T57 HydrophobicContact CG-CG2 4.42Å; T57-Q59 PolarHBondContact O-N 3.47Å; T57-E60 WeakPolarHBondContact CB-OE2 3.48Å; T57-E60 VanDerWaalsContact CG2-OE2 3.24Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.44Å; T57-E60 PolarHBondContact N-OE2 2.75Å; T57-E60 PolarHBondContact O-N 2.97Å; T57-E60 WeakPolarHBondContact OG1-CG 3.45Å; T57-E60 PolarHBondContact OG1-N 3.33Å; T57-E60 PolarHBondContact OG1-OE2 3.03Å; T57-Q61 PolarHBondContact O-N 3.29Å
58L81Confident77.9Confident7 Ų764.3 Ų64.34%0.03733%0.33CS..THydrogen-bonded Turntrans-66.4-19.5174.6-171.362.9000112.5I8 M10 L14 L52 W62 L65I8-L58 HydrophobicContact CB-CD2 4.26Å; I8-L58 HydrophobicContact CD1-CD2 4.18Å; I8-L58 HydrophobicContact CG2-CB 4.36Å; I8-L58 HydrophobicContact CG2-CD2 3.84Å; M10-L58 HydrophobicContact CE-CG 4.45Å; L14-L58 HydrophobicContact CD2-CB 4.35Å; L52-L58 HydrophobicContact CD1-CD1 4.5Å; L58-W62 HydrophobicContact CD2-CZ3 4.42Å; L58-W62 HydrophobicContact CG-CE3 4.25Å; L58-W62 HydrophobicContact CG-CZ3 4.41Å; L58-W62 PolarHBondContact O-N 2.66Å; L58-L65 HydrophobicContact CD1-CD1 3.8Å
59Q80Confident77Confident101 Ų10163.8 Ų63.847%0.47234%0.341SS..THydrogen-bonded Turntrans-74-39.4174.3-176.757.25500112.4M10 T57 W62M10-Q59 HydrophobicContact CB-CB 4.28Å; M10-Q59 VanDerWaalsContact O-CB 3.24Å; M10-Q59 WeakPolarHBondContact O-CB 3.19Å; M10-Q59 PolarHBondContact O-N 2.96Å; M10-Q59 VanDerWaalsContact O-N 3.11Å; T57-Q59 PolarHBondContact O-N 3.47Å; Q59-W62 PolarHBondContact O-N 3.11Å
60E81.8Confident76.1Confident133 Ų13369.3 Ų69.362%0.62137%0.367SS*.THydrogen-bonded Turntrans-70.1-39.8178.5-72.3154144.900111.6T57 W62T57-E60 WeakPolarHBondContact CB-OE2 3.48Å; T57-E60 VanDerWaalsContact CG2-OE2 3.24Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.44Å; T57-E60 PolarHBondContact N-OE2 2.75Å; T57-E60 PolarHBondContact O-N 2.97Å; T57-E60 WeakPolarHBondContact OG1-CG 3.45Å; T57-E60 PolarHBondContact OG1-N 3.33Å; T57-E60 PolarHBondContact OG1-OE2 3.03Å; E60-W62 VanDerWaalsContact C-N 3.27Å; E60-W62 PolarHBondContact O-N 3.26Å
61Q84.6Confident75.1Confident32 Ų3270.5 Ų70.515%0.1537%0.367CS..THydrogen-bonded Turntrans-76.4-8.1178.1-57.8-149.5-68.800114.4D53 T57 E63 D64 L65D53-Q61 VanDerWaalsContact CB-NE2 3.28Å; T57-Q61 PolarHBondContact O-N 3.29Å; Q61-E63 VanDerWaalsContact C-N 3.27Å; Q61-E63 PolarHBondContact O-N 3.19Å; Q61-E63 VanDerWaalsContact O-N 3.13Å; Q61-D64 PolarHBondContact O-N 3.35Å; Q61-D64 VanDerWaalsContact O-N 3.15Å; Q61-L65 HydrophobicContact CB-CD1 4.45Å; Q61-L65 HydrophobicContact CB-CG 4.47Å; Q61-L65 WeakPolarHBondContact O-CG 3.35Å; Q61-L65 PolarHBondContact O-N 3.13Å
62W77.3Confident73.9Confident87 Ų8773.2 Ų73.233%0.3338%0.381SS..THydrogen-bonded Turntrans-61.1-31.9-163.9-168.6-92.5000114.3M10 L58 Q59 E60 I67M10-W62 HydrophobicContact CE-CD2 3.95Å; M10-W62 HydrophobicContact CE-CE3 3.43Å; M10-W62 VanDerWaalsContact CE-CE3 3.43Å; M10-W62 HydrophobicContact CE-CZ3 3.81Å; L58-W62 HydrophobicContact CD2-CZ3 4.42Å; L58-W62 HydrophobicContact CG-CE3 4.25Å; L58-W62 HydrophobicContact CG-CZ3 4.41Å; L58-W62 PolarHBondContact O-N 2.66Å; Q59-W62 PolarHBondContact O-N 3.11Å; E60-W62 VanDerWaalsContact C-N 3.27Å; E60-W62 PolarHBondContact O-N 3.26Å; W62-I67 HydrophobicContact CZ2-CG2 4.37Å
63E73.6Confident73.1Confident181 Ų18173.2 Ų73.285%0.84638%0.381SS*.THydrogen-bonded Turntrans-73.9-38.7179.5-58.2-166.3167.300112.1Q61 L65Q61-E63 VanDerWaalsContact C-N 3.27Å; Q61-E63 PolarHBondContact O-N 3.19Å; Q61-E63 VanDerWaalsContact O-N 3.13Å; E63-L65 VanDerWaalsContact C-N 3.32Å; E63-L65 PolarHBondContact O-N 3.31Å
64D70.6Confident72.2Confident136 Ų13670.7 Ų70.773%0.72737%0.368SS*.THydrogen-bonded Turntrans-70.6-23.8179.3-73.5-34.8000113.6Q61 E66Q61-D64 PolarHBondContact O-N 3.35Å; Q61-D64 VanDerWaalsContact O-N 3.15Å; D64-E66 PolarHBondContact O-N 2.8Å
65L70.2Confident71.6Confident4 Ų470 Ų702%0.02136%0.364CS..THydrogen-bonded Turntrans-71.8-10-176.3-66.9174.4000114L38 K40 L52 L58 Q61 E63 I67L38-L65 HydrophobicContact CD2-CB 4.13Å; L38-L65 HydrophobicContact CD2-CD2 4.19Å; K40-L65 WeakPolarHBondContact CE-O 3.26Å; K40-L65 PolarHBondContact NZ-O 2.88Å; L52-L65 HydrophobicContact CD2-CD1 4.2Å; L52-L65 HydrophobicContact CD2-CD2 3.44Å; L52-L65 VanDerWaalsContact CD2-CD2 3.44Å; L52-L65 HydrophobicContact CD2-CG 4.47Å; L58-L65 HydrophobicContact CD1-CD1 3.8Å; Q61-L65 HydrophobicContact CB-CD1 4.45Å; Q61-L65 HydrophobicContact CB-CG 4.47Å; Q61-L65 WeakPolarHBondContact O-CG 3.35Å; Q61-L65 PolarHBondContact O-N 3.13Å; E63-L65 VanDerWaalsContact C-N 3.32Å; E63-L65 PolarHBondContact O-N 3.31Å; L65-I67 VanDerWaalsContact C-N 3.33Å; L65-I67 HydrophobicContact CB-CD1 3.85Å; L65-I67 HydrophobicContact CB-CG1 3.78Å; L65-I67 HydrophobicContact CD1-CD1 4.12Å; L65-I67 PolarHBondContact O-N 2.91Å
66E65.2Low71Confident108 Ų10864.3 Ų64.351%0.50533%0.334SS..THydrogen-bonded Turntrans45.753.3-177.1-71.8-174.4155.300112.1K40 D64 S1444K40-E66 PolarHBondContact NZ-O 2.7Å; D64-E66 PolarHBondContact O-N 2.8Å; E66-S1444 WeakPolarHBondContact OE1-CB 3.5Å; E66-S1444 PolarHBondContact OE1-OG 3.4Å
67I64Low70.9Confident37 Ų3762.9 Ų62.919%0.1932%0.324CS..  trans-98.3118.6-179.7-61.7-177.9000110.6L38 W62 L65L38-I67 HydrophobicContact CD1-CD1 3.89Å; L38-I67 HydrophobicContact CD2-CD1 3.87Å; L38-I67 HydrophobicContact CD2-CG1 3.89Å; W62-I67 HydrophobicContact CZ2-CG2 4.37Å; L65-I67 VanDerWaalsContact C-N 3.33Å; L65-I67 HydrophobicContact CB-CD1 3.85Å; L65-I67 HydrophobicContact CB-CG1 3.78Å; L65-I67 HydrophobicContact CD1-CD1 4.12Å; L65-I67 PolarHBondContact O-N 2.91Å
68S57.4Low70.7Confident76 Ų7663.8 Ų63.853%0.53133%0.326SS..  trans-80.3124.1164-68.60000110.3D70 Q71S68-D70 PolarHBondContact O-N 3.28Å; S68-Q71 PolarHBondContact O-N 2.97Å
69A54.8Low70.8Confident75 Ų7564 Ų6462%0.6233%0.327SS*.THydrogen-bonded Turntrans-57.8-17.7-175.200000115.7S489A69-S489 PolarHBondContact O-N 3.26Å
70D54Low71.1Confident133 Ų13362.9 Ų62.971%0.71132%0.321SS*.THydrogen-bonded Turntrans-78.8-19176.9-76.4-39.3000114.4S68 S489S68-D70 PolarHBondContact O-N 3.28Å; D70-S489 PolarHBondContact O-OG 3.28Å
71Q58.9Low71.4Confident76 Ų7657.9 Ų57.936%0.35530%0.298SS..SBendtrans-90.1144-173.7-65.3-164.72.400113.4S68 N73S68-Q71 PolarHBondContact O-N 2.97Å; Q71-N73 PolarHBondContact O-N 3.36Å
72E59.9Low71.6Confident92 Ų9258.5 Ų58.543%0.4330%0.304SS..  trans-69.5111.5164.2-79.8161.212000108.5F41 K490F41-E72 VanDerWaalsContact CB-O 3.24Å; F41-E72 WeakPolarHBondContact CB-O 3.45Å; F41-E72 WeakPolarHBondContact CD2-O 3.29Å; F41-E72 PolarHBondContact N-O 3.19Å; E72-K490 HydrophobicContact CG-CB 3.66Å; E72-K490 HydrophobicContact CG-CD 3.44Å; E72-K490 VanDerWaalsContact CG-CD 3.44Å; E72-K490 HydrophobicContact CG-CG 4.25Å; E72-K490 WeakPolarHBondContact OE1-CD 3.45Å; E72-K490 IonicContact OE1-NZ 2.57Å; E72-K490 PolarHBondContact OE1-NZ 2.98Å; E72-K490 WeakPolarHBondContact OE2-CD 3.29Å; E72-K490 IonicContact OE2-NZ 3.57Å; E72-K490 PolarHBondContact OE2-NZ 3.39Å
73N68.3Low72.1Confident7 Ų756.6 Ų56.64%0.03730%0.302CS..EExtended strand (participates in β ladder)trans-114.1152.1167.2-72-4.8000109.3L38 Y39 K40 Q71 I492L38-N73 HydrophobicContact CD1-CB 4.1Å; Y39-N73 WeakPolarHBondContact O-CA 3.46Å; K40-N73 WeakPolarHBondContact CA-OD1 3.48Å; Q71-N73 PolarHBondContact O-N 3.36Å; N73-I492 WeakPolarHBondContact O-CA 3.48Å
74S68.9Low72.8Confident7 Ų750.3 Ų50.35%0.04927%0.27CS..EExtended strand (participates in β ladder)trans-122.5152.6174.5-67.50000110.4Y39 S493Y39-S74 PolarHBondContact N-O 3.49Å; Y39-S74 PolarHBondContact O-N 3.48Å; S74-S493 VanDerWaalsContact CA-O 3.3Å; S74-S493 WeakPolarHBondContact CA-O 3.48Å; S74-S493 VanDerWaalsContact CB-O 3.24Å; S74-S493 WeakPolarHBondContact CB-O 3.5Å; S74-S493 PolarHBondContact OG-O 3.24Å
75V75.1Confident73.7Confident4 Ų443.8 Ų43.82%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-103.5123.6169.6178.70000107.2I8 L36 L52 I492 S493 L494 V495I8-V75 HydrophobicContact CD1-CG2 4.32Å; L36-V75 HydrophobicContact CB-CG1 3.8Å; L36-V75 HydrophobicContact CD1-CG1 4.28Å; L36-V75 HydrophobicContact CD2-CG1 3.9Å; L36-V75 HydrophobicContact CG-CG1 4.2Å; L52-V75 HydrophobicContact CD1-CG1 3.93Å; L52-V75 HydrophobicContact CD1-CG2 4.36Å; V75-I492 HydrophobicContact CB-CG2 4.43Å; V75-I492 HydrophobicContact CG2-CG2 3.92Å; V75-S493 PolarHBondContact N-O 3.42Å; V75-S493 VanDerWaalsContact N-O 3.08Å; V75-L494 HydrophobicContact CB-CD2 4.35Å; V75-V495 PolarHBondContact O-N 2.98Å
76V76.7Confident74.6Confident4 Ų448.9 Ų48.92%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-104.3129.1-173.5177.70000109.2L36 Q37 Y39 F48 R78 V495 D497L36-V76 WeakPolarHBondContact CA-O 3.24Å; Q37-V76 PolarHBondContact N-O 3.3Å; Q37-V76 PolarHBondContact O-N 2.9Å; Y39-V76 HydrophobicContact CG-CG2 4.43Å; F48-V76 HydrophobicContact CE1-CG1 4.35Å; F48-V76 HydrophobicContact CE1-CG2 4.21Å; V76-R78 HydrophobicContact CG1-CG 4.44Å; V76-R78 PolarHBondContact O-N 3.29Å; V76-V495 WeakPolarHBondContact CA-O 3.4Å; V76-D497 HydrophobicContact CG1-CB 3.71Å
77L82.6Confident75.6Confident4 Ų446 Ų462%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-77.1121.2172.5-167.177.1000109.1L18 I21 L25 P27 L36 V495 Y496L18-L77 HydrophobicContact CD1-CD1 3.65Å; I21-L77 HydrophobicContact CG2-CD1 4.18Å; L25-L77 HydrophobicContact CD1-CB 3.81Å; L25-L77 HydrophobicContact CD1-CD2 4.05Å; L25-L77 HydrophobicContact CD1-CG 4.46Å; P27-L77 HydrophobicContact CB-CD2 3.88Å; P27-L77 HydrophobicContact CG-CD2 3.68Å; L36-L77 HydrophobicContact CD2-CD1 3.66Å; L77-V495 PolarHBondContact N-O 3.08Å; L77-Y496 HydrophobicContact CB-CD2 4.18Å; L77-Y496 HydrophobicContact CD2-CD2 4.01Å; L77-Y496 HydrophobicContact CD2-CE2 4.33Å
78R80.8Confident76.8Confident36 Ų3645.6 Ų45.614%0.13625%0.25CS..EExtended strand (participates in β ladder)trans-118.3158.8-177.5-81.1-74.4-175.8-140.1-3.9110.6S34 T35 Q37 Y51 V76 D497S34-R78 CarbonylContact C-O 2.98Å; T35-R78 HydrophobicContact CG2-CB 3.9Å; T35-R78 PolarHBondContact N-O 3.25Å; T35-R78 PolarHBondContact O-N 3.19Å; T35-R78 VanDerWaalsContact O-O 3.13Å; Q37-R78 HydrophobicContact CB-CG 3.77Å; Y51-R78 HydrophobicContact CE1-CB 3.98Å; Y51-R78 HydrophobicContact CE1-CG 4Å; V76-R78 HydrophobicContact CG1-CG 4.44Å; V76-R78 PolarHBondContact O-N 3.29Å; R78-D497 IonicContact CZ-OD2 2.94Å; R78-D497 IonicContact NH1-OD2 3.17Å; R78-D497 PolarHBondContact NH1-OD2 2.94Å; R78-D497 IonicContact NH2-OD2 2.6Å; R78-D497 PolarHBondContact NH2-OD2 2.97Å
79T83.1Confident78.3Confident12 Ų1243.1 Ų43.17%0.07423%0.231CC..EExtended strand (participates in β ladder)trans-79.5138.1162.6-41.40000109.1H29 D33 V83 R84H29-T79 PolarHBondContact CE1-OG1 2.85Å; H29-T79 PolarHBondContact NE2-OG1 2.78Å; D33-T79 HydrophobicContact CB-CG2 4.36Å; D33-T79 CarbonylContact O-C 3.59Å; D33-T79 WeakPolarHBondContact O-CA 3.29Å; T79-V83 HydrophobicContact CG2-CB 4.04Å; T79-V83 HydrophobicContact CG2-CG1 3.82Å; T79-R84 HydrophobicContact CG2-CG 4.3Å; T79-R84 VanDerWaalsContact O-CD 3.3Å; T79-R84 WeakPolarHBondContact O-CD 3.23Å
80K86.1Confident79.9Confident77 Ų7745.3 Ų45.334%0.33523%0.228SC..  trans-53.6142.4179.4-76.7175.2178175.40112.1E32 D33 S34 T35 V82 V83 R84E32-K80 WeakPolarHBondContact O-CD 3.39Å; E32-K80 VanDerWaalsContact O-CE 3.24Å; E32-K80 WeakPolarHBondContact O-CE 3.35Å; E32-K80 PolarHBondContact O-NZ 2.91Å; D33-K80 WeakPolarHBondContact O-CG 3.28Å; D33-K80 PolarHBondContact O-N 3.44Å; S34-K80 VanDerWaalsContact O-CE 3.23Å; S34-K80 WeakPolarHBondContact O-CE 3.45Å; T35-K80 HydrophobicContact CG2-CG 4.17Å; K80-V82 PolarHBondContact O-N 3.02Å; K80-V83 HydrophobicContact CB-CG2 4.13Å; K80-V83 PolarHBondContact O-N 2.75Å; K80-R84 PolarHBondContact O-N 2.96Å
81L88.4Confident81.6Confident28 Ų2842.5 Ų42.515%0.14721%0.21CC..Hα-helixtrans-56.7-47.3-176.7-68168.9000112.3Y51 V83 R84 V85 D116 L117 E120Y51-L81 HydrophobicContact CD2-CD1 4.03Å; Y51-L81 HydrophobicContact CD2-CG 4.44Å; Y51-L81 HydrophobicContact CE1-CD2 4.37Å; Y51-L81 HydrophobicContact CE1-CG 4.39Å; Y51-L81 HydrophobicContact CE2-CD1 4.04Å; Y51-L81 HydrophobicContact CE2-CD2 3.72Å; Y51-L81 HydrophobicContact CE2-CG 4.1Å; Y51-L81 HydrophobicContact CG-CD1 4.49Å; L81-V83 VanDerWaalsContact C-N 3.3Å; L81-V83 PolarHBondContact O-N 2.94Å; L81-R84 PolarHBondContact O-N 3.2Å; L81-R84 VanDerWaalsContact O-N 3.14Å; L81-V85 PolarHBondContact O-N 3.48Å; L81-D116 HydrophobicContact CD1-CB 3.89Å; L81-D116 HydrophobicContact CD2-CB 4.39Å; L81-L117 HydrophobicContact CB-CD2 4.47Å; L81-L117 HydrophobicContact CD2-CD2 3.58Å; L81-L117 HydrophobicContact CD2-CG 3.97Å; L81-E120 HydrophobicContact CB-CG 3.9Å
82V88.2Confident83Confident45 Ų4539.1 Ų39.127%0.27319%0.194SC..Hα-helixtrans-48.6-47.1172.5167.20000112.8K80 V85 K86 E120 H124K80-V82 PolarHBondContact O-N 3.02Å; V82-V85 PolarHBondContact O-N 2.61Å; V82-K86 HydrophobicContact CG1-CD 4.06Å; V82-K86 WeakPolarHBondContact O-CG 3.38Å; V82-K86 PolarHBondContact O-N 2.83Å; V82-E120 WeakPolarHBondContact CG2-OE2 2.94Å; V82-H124 WeakPolarHBondContact CG1-NE2 3.31Å
83V87.2Confident84.4Confident46 Ų4638.9 Ų38.928%0.27920%0.195SC..Hα-helixtrans-69.8-41.3-177.7179.10000110.4D33 T79 K80 L81 K86 A87D33-V83 HydrophobicContact CB-CG2 4.44Å; T79-V83 HydrophobicContact CG2-CB 4.04Å; T79-V83 HydrophobicContact CG2-CG1 3.82Å; K80-V83 HydrophobicContact CB-CG2 4.13Å; K80-V83 PolarHBondContact O-N 2.75Å; L81-V83 VanDerWaalsContact C-N 3.3Å; L81-V83 PolarHBondContact O-N 2.94Å; V83-K86 PolarHBondContact O-N 3.5Å; V83-A87 WeakPolarHBondContact O-CB 3.34Å; V83-A87 PolarHBondContact O-N 2.89Å
84R88.5Confident85.3Confident49 Ų4944 Ų4419%0.18522%0.223CC..Hα-helixtrans-62.7-41.2174.4-69.3174.262.7-161-3.8112Y51 T79 K80 L81 I88 D114 L117Y51-R84 PolarHBondContact OH-NH1 3.17Å; T79-R84 HydrophobicContact CG2-CG 4.3Å; T79-R84 VanDerWaalsContact O-CD 3.3Å; T79-R84 WeakPolarHBondContact O-CD 3.23Å; K80-R84 PolarHBondContact O-N 2.96Å; L81-R84 PolarHBondContact O-N 3.2Å; L81-R84 VanDerWaalsContact O-N 3.14Å; R84-I88 WeakPolarHBondContact O-CD1 3.04Å; R84-I88 VanDerWaalsContact O-CG1 3.23Å; R84-I88 WeakPolarHBondContact O-CG1 3.18Å; R84-I88 PolarHBondContact O-N 3.15Å; R84-D114 IonicContact CZ-OD2 3.31Å; R84-D114 IonicContact NH1-OD2 2.76Å; R84-D114 PolarHBondContact NH1-OD2 3.25Å; R84-D114 IonicContact NH2-OD2 2.65Å; R84-D114 PolarHBondContact NH2-OD2 3.04Å; R84-D114 VanDerWaalsContact NH2-OD2 3.1Å; R84-L117 HydrophobicContact CB-CD2 3.9Å
85V88.8Confident86.1Confident0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-66-45.4176.7161.60000111.8L81 V82 A87 I88 I89 L117 E120 F121 H124L81-V85 PolarHBondContact O-N 3.48Å; V82-V85 PolarHBondContact O-N 2.61Å; V85-A87 PolarHBondContact O-N 3.41Å; V85-I88 WeakPolarHBondContact O-CB 3.15Å; V85-I88 PolarHBondContact O-N 2.99Å; V85-I88 VanDerWaalsContact O-N 3.13Å; V85-I89 HydrophobicContact CG1-CD1 3.82Å; V85-I89 WeakPolarHBondContact O-CG1 3.37Å; V85-I89 PolarHBondContact O-N 2.99Å; V85-L117 HydrophobicContact CG2-CB 4.46Å; V85-L117 HydrophobicContact CG2-CD2 3.91Å; V85-E120 HydrophobicContact CB-CB 4.34Å; V85-E120 HydrophobicContact CG2-CB 3.68Å; V85-F121 HydrophobicContact CG1-CB 4.29Å; V85-F121 HydrophobicContact CG1-CD2 4.26Å; V85-F121 HydrophobicContact CG2-CB 4.18Å; V85-H124 HydrophobicContact CG1-CB 4.01Å
86K89Confident86.5Confident110 Ų11049.7 Ų49.748%0.47825%0.253SS..Hα-helixtrans-59.5-45.9176.5-74.2173.1-179.9176.70111.4V82 V83 I88 I89 E90V82-K86 HydrophobicContact CG1-CD 4.06Å; V82-K86 WeakPolarHBondContact O-CG 3.38Å; V82-K86 PolarHBondContact O-N 2.83Å; V83-K86 PolarHBondContact O-N 3.5Å; K86-I88 VanDerWaalsContact C-N 3.31Å; K86-I88 PolarHBondContact O-N 2.86Å; K86-I89 PolarHBondContact O-N 3.26Å; K86-I89 VanDerWaalsContact O-N 3.15Å; K86-E90 WeakPolarHBondContact O-CB 3.48Å; K86-E90 PolarHBondContact O-N 2.81Å
87A87.5Confident86.8Confident49 Ų4951.9 Ų51.941%0.40528%0.277SS..Hα-helixtrans-63.5-31.9174.900000113.7V83 V85 K91V83-A87 WeakPolarHBondContact O-CB 3.34Å; V83-A87 PolarHBondContact O-N 2.89Å; V85-A87 PolarHBondContact O-N 3.41Å; A87-K91 WeakPolarHBondContact O-CB 3.21Å; A87-K91 PolarHBondContact O-N 2.85Å
88I88.1Confident86.9Confident28 Ų2862 Ų6214%0.14432%0.315CS..Hα-helixtrans-67.3-45.2171.7-72.6161.8000110.6R84 V85 K86 L92 L107 I110 L117 F121R84-I88 WeakPolarHBondContact O-CD1 3.04Å; R84-I88 VanDerWaalsContact O-CG1 3.23Å; R84-I88 WeakPolarHBondContact O-CG1 3.18Å; R84-I88 PolarHBondContact O-N 3.15Å; V85-I88 WeakPolarHBondContact O-CB 3.15Å; V85-I88 PolarHBondContact O-N 2.99Å; V85-I88 VanDerWaalsContact O-N 3.13Å; K86-I88 VanDerWaalsContact C-N 3.31Å; K86-I88 PolarHBondContact O-N 2.86Å; I88-L92 HydrophobicContact CG2-CD1 3.87Å; I88-L92 HydrophobicContact CG2-CG 4.48Å; I88-L92 WeakPolarHBondContact O-CB 3.34Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 3.05Å; I88-L107 HydrophobicContact CG2-CD1 3.74Å; I88-I110 HydrophobicContact CD1-CG2 4.01Å; I88-L117 HydrophobicContact CD1-CD1 4.36Å; I88-F121 HydrophobicContact CG2-CD2 4.43Å; I88-F121 HydrophobicContact CG2-CE2 4.04Å
89I90.6Very high87.1Confident24 Ų2465.1 Ų65.112%0.12333%0.33CS..Hα-helixtrans-66-46.7-179.4-67.4169.1000110.6V85 K86 L92 L93 F121 H124 C129V85-I89 HydrophobicContact CG1-CD1 3.82Å; V85-I89 WeakPolarHBondContact O-CG1 3.37Å; V85-I89 PolarHBondContact O-N 2.99Å; K86-I89 PolarHBondContact O-N 3.26Å; K86-I89 VanDerWaalsContact O-N 3.15Å; I89-L92 PolarHBondContact O-N 3.39Å; I89-L93 HydrophobicContact CG2-CD1 3.96Å; I89-L93 WeakPolarHBondContact O-CG 3.46Å; I89-L93 PolarHBondContact O-N 2.71Å; I89-F121 HydrophobicContact CD1-CD2 4.36Å; I89-F121 HydrophobicContact CD1-CE2 4.41Å; I89-F121 HydrophobicContact CG1-CD2 4.14Å; I89-F121 HydrophobicContact CG1-CE2 3.81Å; I89-H124 HydrophobicContact CD1-CB 4.21Å; I89-H124 VanDerWaalsContact CD1-O 3.27Å; I89-H124 WeakPolarHBondContact CD1-O 3.47Å; I89-C129 HydrophobicContact CG2-CB 4.27Å
90E88.4Confident87.3Confident121 Ų12165.1 Ų65.157%0.56533%0.33SS*.Hα-helixtrans-55.3-52.5173.9-171173-156.600111.1K86 L92 L93 D94K86-E90 WeakPolarHBondContact O-CB 3.48Å; K86-E90 PolarHBondContact O-N 2.81Å; E90-L92 PolarHBondContact O-N 3.08Å; E90-L92 VanDerWaalsContact O-N 3.09Å; E90-L93 PolarHBondContact O-N 3.11Å; E90-D94 PolarHBondContact O-N 3.26Å
91K88.1Confident87.2Confident73 Ų7364.4 Ų64.432%0.31733%0.327SS..Hα-helixtrans-68.3-5.8175.8-167.6162.8-178.3168.30114.5A87 A95 E504A87-K91 WeakPolarHBondContact O-CB 3.21Å; A87-K91 PolarHBondContact O-N 2.85Å; K91-A95 WeakPolarHBondContact O-CB 3.36Å; K91-E504 IonicContact NZ-OE1 3.53Å; K91-E504 PolarHBondContact NZ-OE1 3.04Å; K91-E504 IonicContact NZ-OE2 2.69Å; K91-E504 PolarHBondContact NZ-OE2 2.67Å
92L89.5Confident87Confident5 Ų571.8 Ų71.83%0.02635%0.353CS..Hα-helixtrans-99.9-20.6170.4-73.5174.5000113.4I88 I89 E90 L100 L104 L107 L130I88-L92 HydrophobicContact CG2-CD1 3.87Å; I88-L92 HydrophobicContact CG2-CG 4.48Å; I88-L92 WeakPolarHBondContact O-CB 3.34Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 3.05Å; I89-L92 PolarHBondContact O-N 3.39Å; E90-L92 PolarHBondContact O-N 3.08Å; E90-L92 VanDerWaalsContact O-N 3.09Å; L92-L100 HydrophobicContact CD2-CD1 4.18Å; L92-L104 HydrophobicContact CD2-CD2 3.49Å; L92-L104 VanDerWaalsContact CD2-CD2 3.49Å; L92-L104 HydrophobicContact CD2-CG 3.72Å; L92-L107 HydrophobicContact CD1-CD1 4.35Å; L92-L107 HydrophobicContact CD1-CD2 3.89Å; L92-L130 HydrophobicContact CD1-CD2 4.43Å
93L87.9Confident86.8Confident88 Ų8870.6 Ų70.646%0.46135%0.347SS..Hα-helixtrans-87.8-40.1174.6-67.9171.3000111.8I89 E90I89-L93 HydrophobicContact CG2-CD1 3.96Å; I89-L93 WeakPolarHBondContact O-CG 3.46Å; I89-L93 PolarHBondContact O-N 2.71Å; E90-L93 PolarHBondContact O-N 3.11Å
94D87.2Confident86.7Confident114 Ų11468.5 Ų68.561%0.6133%0.334SS*.SBendtrans-88.6-31.2-175.4-67.2-18.7000113.6E90 N96E90-D94 PolarHBondContact O-N 3.26Å; D94-N96 PolarHBondContact O-ND2 3.14Å
95A85.7Confident86.5Confident6 Ų672.3 Ų72.35%0.0535%0.352CS..  trans-67.4138.8-17800000111.4K91 E99 L100K91-A95 WeakPolarHBondContact O-CB 3.36Å; A95-E99 HydrophobicContact CB-CB 4.17Å; A95-E99 HydrophobicContact CB-CG 3.92Å; A95-L100 HydrophobicContact CB-CB 4.29Å; A95-L100 WeakPolarHBondContact O-CB 3.17Å
96N83.9Confident86.3Confident125 Ų12575 Ų7567%0.66837%0.371SS*.  trans-128.6152.3-174.9-86.8-83.7000112.6D94 R98 E99D94-N96 PolarHBondContact O-ND2 3.14Å; N96-R98 PolarHBondContact O-N 3.5Å; N96-R98 VanDerWaalsContact O-N 3.08Å; N96-E99 PolarHBondContact O-N 3.25Å
97G83.2Confident86.3Confident50 Ų5069.9 Ų69.952%0.51535%0.349SS..THydrogen-bonded Turntrans53.4-110.7172.700000114.9K101G97-K101 WeakPolarHBondContact O-CG 3.44Å; G97-K101 PolarHBondContact O-N 3.16Å
98R85Confident86.4Confident217 Ų21770.2 Ų70.282%0.81934%0.341SS*.Hα-helixtrans-72.3-25-179.1-83.8-172.4-76.9-172.5-4.6113.6N96 R102N96-R98 PolarHBondContact O-N 3.5Å; N96-R98 VanDerWaalsContact O-N 3.08Å; R98-R102 WeakPolarHBondContact O-CG 3.34Å; R98-R102 PolarHBondContact O-N 2.91Å
99E83.8Confident86.3Confident100 Ų10072.9 Ų72.947%0.46735%0.353SS..Hα-helixtrans-77.5-48.6178.2-169.4171.3-176.300110.8A95 N96 K101 R102 S103A95-E99 HydrophobicContact CB-CB 4.17Å; A95-E99 HydrophobicContact CB-CG 3.92Å; N96-E99 PolarHBondContact O-N 3.25Å; E99-K101 VanDerWaalsContact C-N 3.25Å; E99-K101 PolarHBondContact O-N 2.86Å; E99-R102 WeakPolarHBondContact O-CA 3.17Å; E99-R102 WeakPolarHBondContact O-CB 3.3Å; E99-R102 PolarHBondContact O-N 3.47Å; E99-S103 PolarHBondContact O-N 2.83Å; E99-S103 PolarHBondContact O-OG 3.29Å
100L87.9Confident86.1Confident13 Ų1374.5 Ų74.57%0.06836%0.361CS..Hα-helixtrans-53.1-43.5174.5-174.156.6000112.2L92 A95 R102 S103 L104 V133 I141L92-L100 HydrophobicContact CD2-CD1 4.18Å; A95-L100 HydrophobicContact CB-CB 4.29Å; A95-L100 WeakPolarHBondContact O-CB 3.17Å; L100-R102 VanDerWaalsContact C-N 3.3Å; L100-R102 PolarHBondContact O-N 3.44Å; L100-S103 PolarHBondContact O-N 2.94Å; L100-L104 HydrophobicContact CD1-CD1 3.84Å; L100-L104 HydrophobicContact CD1-CG 4.13Å; L100-L104 HydrophobicContact CG-CD1 3.86Å; L100-L104 WeakPolarHBondContact O-CB 3.22Å; L100-L104 WeakPolarHBondContact O-CG 3.3Å; L100-L104 PolarHBondContact O-N 3.38Å; L100-V133 HydrophobicContact CD1-CG1 4.35Å; L100-V133 HydrophobicContact CD2-CG1 4.08Å; L100-I141 HydrophobicContact CD2-CD1 4.07Å
101K84.4Confident86.1Confident62 Ų6268.8 Ų68.827%0.2733%0.334SS..Hα-helixtrans-63.7-30.2176-74.7-178175.6-174.80113.2G97 E99 F105 D138 I141 Y144G97-K101 WeakPolarHBondContact O-CG 3.44Å; G97-K101 PolarHBondContact O-N 3.16Å; E99-K101 VanDerWaalsContact C-N 3.25Å; E99-K101 PolarHBondContact O-N 2.86Å; K101-F105 WeakPolarHBondContact O-CB 3.45Å; K101-F105 PolarHBondContact O-N 3.49Å; K101-D138 WeakPolarHBondContact CE-OD1 3.5Å; K101-D138 IonicContact NZ-OD1 2.72Å; K101-D138 IonicContact NZ-OD2 2.67Å; K101-D138 PolarHBondContact NZ-OD2 2.64Å; K101-I141 HydrophobicContact CD-CG1 4.34Å; K101-I141 HydrophobicContact CG-CD1 4.1Å; K101-I141 HydrophobicContact CG-CG1 3.67Å; K101-Y144 HydrophobicContact CB-CE2 4.25Å; K101-Y144 HydrophobicContact CG-CE2 4.22Å
102R83.5Confident86.1Confident182 Ų18269.4 Ų69.469%0.68734%0.339SS*.Hα-helixtrans-74.9-48.6172.3-72.4169.2174.9164.4-4.1111.6R98 E99 L100 L104 F105 S106R98-R102 WeakPolarHBondContact O-CG 3.34Å; R98-R102 PolarHBondContact O-N 2.91Å; E99-R102 WeakPolarHBondContact O-CA 3.17Å; E99-R102 WeakPolarHBondContact O-CB 3.3Å; E99-R102 PolarHBondContact O-N 3.47Å; L100-R102 VanDerWaalsContact C-N 3.3Å; L100-R102 PolarHBondContact O-N 3.44Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 3.39Å; R102-F105 PolarHBondContact O-N 3.17Å; R102-S106 PolarHBondContact O-N 2.6Å; R102-S106 PolarHBondContact O-OG 3.37Å
103S84.4Confident85.8Confident21 Ų2175 Ų7515%0.14737%0.368CS..Hα-helixtrans-55.8-47.4178.7-59.40000111.4E99 L100 S106 L107E99-S103 PolarHBondContact O-N 2.83Å; E99-S103 PolarHBondContact O-OG 3.29Å; L100-S103 PolarHBondContact O-N 2.94Å; S103-S106 PolarHBondContact O-N 2.92Å; S103-L107 WeakPolarHBondContact O-CB 3.12Å; S103-L107 PolarHBondContact O-N 3.02Å
104L86.1Confident85.6Confident2 Ų271.6 Ų71.61%0.0135%0.351CS..Hα-helixtrans-71.4-34.9179-71.8171.1000114.1L92 L100 R102 S106 L107 L130 I141 I145L92-L104 HydrophobicContact CD2-CD2 3.49Å; L92-L104 VanDerWaalsContact CD2-CD2 3.49Å; L92-L104 HydrophobicContact CD2-CG 3.72Å; L100-L104 HydrophobicContact CD1-CD1 3.84Å; L100-L104 HydrophobicContact CD1-CG 4.13Å; L100-L104 HydrophobicContact CG-CD1 3.86Å; L100-L104 WeakPolarHBondContact O-CB 3.22Å; L100-L104 WeakPolarHBondContact O-CG 3.3Å; L100-L104 PolarHBondContact O-N 3.38Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 3.39Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-L107 HydrophobicContact CD2-CD2 4.03Å; L104-L107 WeakPolarHBondContact O-CB 3.22Å; L104-L107 PolarHBondContact O-N 3.46Å; L104-L130 HydrophobicContact CD2-CD2 4.34Å; L104-I141 HydrophobicContact CD1-CB 4.38Å; L104-I141 HydrophobicContact CD1-CG1 4.41Å; L104-I141 HydrophobicContact CD1-CG2 3.59Å; L104-I145 HydrophobicContact CD1-CD1 4.12Å; L104-I145 HydrophobicContact CD1-CG1 3.91Å; L104-I145 HydrophobicContact CD2-CD1 4.41Å; L104-I145 HydrophobicContact CD2-CG1 3.63Å; L104-I145 HydrophobicContact CG-CG1 4.4Å
105F84Confident85.7Confident129 Ų12972.2 Ų72.257%0.56635%0.348SS*.Hα-helixtrans-62.5-42.2173.2-178.3-91.2000111.1K101 R102 Y144K101-F105 WeakPolarHBondContact O-CB 3.45Å; K101-F105 PolarHBondContact O-N 3.49Å; R102-F105 PolarHBondContact O-N 3.17Å; F105-Y144 HydrophobicContact CD2-CD1 4.24Å; F105-Y144 AromaticContact CD2-CE1 3.81Å; F105-Y144 HydrophobicContact CD2-CE1 3.81Å
106S84.3Confident85.8Confident57 Ų5774.5 Ų74.540%0.39936%0.359SS..Hα-helixtrans-72.1-27.3175.6-65.10000113.6R102 S103 L104 K108 Q109 I110R102-S106 PolarHBondContact O-N 2.6Å; R102-S106 PolarHBondContact O-OG 3.37Å; S103-S106 PolarHBondContact O-N 2.92Å; L104-S106 VanDerWaalsContact C-N 3.32Å; S106-K108 VanDerWaalsContact C-N 3.3Å; S106-K108 PolarHBondContact O-N 3.34Å; S106-Q109 WeakPolarHBondContact O-CA 3.39Å; S106-Q109 WeakPolarHBondContact O-CB 3.48Å; S106-Q109 PolarHBondContact O-N 2.98Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 2.85Å
107L88.3Confident86.1Confident2 Ų268.5 Ų68.51%0.0133%0.328CS..Hα-helixtrans-56.6-39.9-173.5-17265.3000113.4I88 L92 S103 L104 Q109 I110 F111 L130 A148I88-L107 HydrophobicContact CG2-CD1 3.74Å; L92-L107 HydrophobicContact CD1-CD1 4.35Å; L92-L107 HydrophobicContact CD1-CD2 3.89Å; S103-L107 WeakPolarHBondContact O-CB 3.12Å; S103-L107 PolarHBondContact O-N 3.02Å; L104-L107 HydrophobicContact CD2-CD2 4.03Å; L104-L107 WeakPolarHBondContact O-CB 3.22Å; L104-L107 PolarHBondContact O-N 3.46Å; L107-Q109 VanDerWaalsContact C-N 3.28Å; L107-Q109 PolarHBondContact O-N 3.11Å; L107-I110 PolarHBondContact O-N 3.36Å; L107-F111 HydrophobicContact CD1-CD2 4.26Å; L107-F111 HydrophobicContact CD1-CE2 3.52Å; L107-F111 HydrophobicContact CD1-CZ 3.79Å; L107-F111 HydrophobicContact CD2-CE2 4.12Å; L107-F111 HydrophobicContact CG-CD2 4.13Å; L107-F111 HydrophobicContact CG-CE2 3.56Å; L107-F111 HydrophobicContact CG-CZ 4.33Å; L107-F111 VanDerWaalsContact O-CD2 3.32Å; L107-F111 WeakPolarHBondContact O-CD2 3.27Å; L107-F111 PolarHBondContact O-N 2.76Å; L107-L130 HydrophobicContact CD2-CD2 3.83Å; L107-A148 HydrophobicContact CB-CB 4.23Å; L107-A148 HydrophobicContact CD2-CB 3.78Å; L107-A148 HydrophobicContact CG-CB 3.96Å
108K90.1Very high86.5Confident56 Ų5666.2 Ų66.224%0.24330%0.304CS..Hα-helixtrans-61.2-36174.4-176-90.8177.7-173.60112.2S106 Q112 R147 A148 Q151S106-K108 VanDerWaalsContact C-N 3.3Å; S106-K108 PolarHBondContact O-N 3.34Å; K108-Q112 WeakPolarHBondContact O-CB 3.24Å; K108-Q112 PolarHBondContact O-N 3.41Å; K108-R147 WeakPolarHBondContact CG-O 3.35Å; K108-A148 HydrophobicContact CB-CB 4.46Å; K108-Q151 HydrophobicContact CG-CB 4.15Å
109Q87Confident86.8Confident84 Ų8459.7 Ų59.739%0.39328%0.282SS..Hα-helixtrans-76.4-38.4177.1-166.965.743.700111.4S106 L107 F111 Q112 D113S106-Q109 WeakPolarHBondContact O-CA 3.39Å; S106-Q109 WeakPolarHBondContact O-CB 3.48Å; S106-Q109 PolarHBondContact O-N 2.98Å; L107-Q109 VanDerWaalsContact C-N 3.28Å; L107-Q109 PolarHBondContact O-N 3.11Å; Q109-F111 PolarHBondContact O-N 2.93Å; Q109-Q112 CarbonylContact O-C 3.58Å; Q109-Q112 WeakPolarHBondContact O-CA 3.48Å; Q109-Q112 WeakPolarHBondContact O-CB 3.5Å; Q109-Q112 PolarHBondContact O-N 2.76Å; Q109-D113 WeakPolarHBondContact CG-OD2 3.43Å; Q109-D113 PolarHBondContact NE2-OD1 2.84Å; Q109-D113 PolarHBondContact O-N 3.42Å
110I85.9Confident87.2Confident58 Ų5857 Ų5730%0.29727%0.27SS..Hα-helixtrans-57.3-47.8179.1-69.5168.2000111.4I88 S106 L107 Q112 D113 D114 L117I88-I110 HydrophobicContact CD1-CG2 4.01Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 2.85Å; L107-I110 PolarHBondContact O-N 3.36Å; I110-Q112 VanDerWaalsContact C-N 3.29Å; I110-Q112 PolarHBondContact O-N 3.25Å; I110-D113 PolarHBondContact O-N 2.96Å; I110-D114 PolarHBondContact O-N 2.95Å; I110-L117 HydrophobicContact CG2-CD1 3.51Å
111F88.7Confident87.5Confident0 Ų056.4 Ų56.40%027%0.267CS..Hα-helixtrans-71.3-21.4175.5-63-52.2000113.9L107 Q109 L117 V118 F121 Q151 I152 Y155L107-F111 HydrophobicContact CD1-CD2 4.26Å; L107-F111 HydrophobicContact CD1-CE2 3.52Å; L107-F111 HydrophobicContact CD1-CZ 3.79Å; L107-F111 HydrophobicContact CD2-CE2 4.12Å; L107-F111 HydrophobicContact CG-CD2 4.13Å; L107-F111 HydrophobicContact CG-CE2 3.56Å; L107-F111 HydrophobicContact CG-CZ 4.33Å; L107-F111 VanDerWaalsContact O-CD2 3.32Å; L107-F111 WeakPolarHBondContact O-CD2 3.27Å; L107-F111 PolarHBondContact O-N 2.76Å; Q109-F111 PolarHBondContact O-N 2.93Å; F111-L117 HydrophobicContact CD1-CB 4.19Å; F111-L117 HydrophobicContact CE1-CB 4.28Å; F111-V118 HydrophobicContact CB-CG2 3.9Å; F111-V118 HydrophobicContact CD1-CG2 3.63Å; F111-V118 HydrophobicContact CE1-CG2 4.46Å; F111-V118 HydrophobicContact CG-CG2 4Å; F111-F121 HydrophobicContact CE1-CB 3.84Å; F111-F121 HydrophobicContact CE1-CD1 4.26Å; F111-F121 HydrophobicContact CE1-CD2 4.24Å; F111-F121 AromaticContact CE1-CG 3.87Å; F111-F121 HydrophobicContact CE1-CG 3.87Å; F111-F121 HydrophobicContact CE2-CD1 4.4Å; F111-F121 HydrophobicContact CE2-CE1 4.4Å; F111-F121 HydrophobicContact CZ-CB 4.02Å; F111-F121 AromaticContact CZ-CD1 3.61Å; F111-F121 HydrophobicContact CZ-CD1 3.61Å; F111-F121 AromaticContact CZ-CD2 3.73Å; F111-F121 HydrophobicContact CZ-CD2 3.73Å; F111-F121 AromaticContact CZ-CE1 3.93Å; F111-F121 HydrophobicContact CZ-CE1 3.93Å; F111-F121 HydrophobicContact CZ-CE2 4.04Å; F111-F121 AromaticContact CZ-CG 3.5Å; F111-F121 HydrophobicContact CZ-CG 3.5Å; F111-F121 HydrophobicContact CZ-CZ 4.13Å; F111-Q151 HydrophobicContact CB-CG 4.14Å; F111-I152 HydrophobicContact CD2-CD1 4.19Å; F111-I152 HydrophobicContact CD2-CG1 3.83Å; F111-I152 HydrophobicContact CE2-CD1 3.7Å; F111-I152 HydrophobicContact CE2-CG1 3.85Å; F111-I152 HydrophobicContact CG-CG1 4.38Å; F111-I152 HydrophobicContact CZ-CD1 4.19Å; F111-I152 HydrophobicContact CZ-CG1 4.43Å; F111-Y155 PolarHBondContact O-OH 2.72Å
112Q87.5Confident87.9Confident87 Ų8754.2 Ų54.241%0.40726%0.258SS..Hα-helixtrans-79.1-36.9175.8-175.7174.9-15.400111.9K108 Q109 I110 Q151K108-Q112 WeakPolarHBondContact O-CB 3.24Å; K108-Q112 PolarHBondContact O-N 3.41Å; Q109-Q112 CarbonylContact O-C 3.58Å; Q109-Q112 WeakPolarHBondContact O-CA 3.48Å; Q109-Q112 WeakPolarHBondContact O-CB 3.5Å; Q109-Q112 PolarHBondContact O-N 2.76Å; I110-Q112 VanDerWaalsContact C-N 3.29Å; I110-Q112 PolarHBondContact O-N 3.25Å; Q112-Q151 HydrophobicContact CB-CG 4.46Å
113D82.3Confident88.3Confident121 Ų12149.2 Ų49.265%0.64725%0.248SC*.Hα-helixtrans-80.7-36.4179.9-67.5-14.5000112.2Q109 I110Q109-D113 WeakPolarHBondContact CG-OD2 3.43Å; Q109-D113 PolarHBondContact NE2-OD1 2.84Å; Q109-D113 PolarHBondContact O-N 3.42Å; I110-D113 PolarHBondContact O-N 2.96Å
114D84.4Confident88.6Confident18 Ų1851.2 Ų51.210%0.09626%0.255CS..  trans-130.788.9178.7-166.7-18.9000110.7Y51 R84 I110 D116 L117Y51-D114 PolarHBondContact OH-OD2 3.03Å; R84-D114 IonicContact CZ-OD2 3.31Å; R84-D114 IonicContact NH1-OD2 2.76Å; R84-D114 PolarHBondContact NH1-OD2 3.25Å; R84-D114 IonicContact NH2-OD2 2.65Å; R84-D114 PolarHBondContact NH2-OD2 3.04Å; R84-D114 VanDerWaalsContact NH2-OD2 3.1Å; I110-D114 PolarHBondContact O-N 2.95Å; D114-D116 PolarHBondContact O-N 3.39Å; D114-D116 PolarHBondContact OD1-N 3.5Å; D114-L117 HydrophobicContact CB-CD1 3.97Å; D114-L117 HydrophobicContact CB-CG 4.22Å; D114-L117 PolarHBondContact O-N 3.25Å
115K88.8Confident88.8Confident126 Ų12654.3 Ų54.355%0.54828%0.277SS..THydrogen-bonded Turntrans-60.2-27.7-178.975.8-168.1-176.7-172.30113.1L117 V118 Y155K115-L117 PolarHBondContact O-N 3.42Å; K115-V118 WeakPolarHBondContact O-CB 3.32Å; K115-V118 WeakPolarHBondContact O-CG2 3.5Å; K115-V118 PolarHBondContact O-N 3.18Å; K115-V118 VanDerWaalsContact O-N 3.09Å; K115-Y155 HydrophobicContact CB-CD1 4.05Å; K115-Y155 HydrophobicContact CB-CE1 3.5Å; K115-Y155 VanDerWaalsContact CB-CE1 3.5Å
116D88Confident89.2Confident54 Ų5448.1 Ų48.129%0.28925%0.25SC..THydrogen-bonded Turntrans-76.1-18.7-170.1-60.4-27.4000110.7Y51 L81 D114 V118Y51-D116 HydrophobicContact CD2-CB 4.41Å; Y51-D116 HydrophobicContact CE2-CB 4.21Å; L81-D116 HydrophobicContact CD1-CB 3.89Å; L81-D116 HydrophobicContact CD2-CB 4.39Å; D114-D116 PolarHBondContact O-N 3.39Å; D114-D116 PolarHBondContact OD1-N 3.5Å; D116-V118 PolarHBondContact O-N 3.37Å
117L90.8Very high89.7Confident0 Ų045.4 Ų45.40%023%0.231CC..Hα-helixtrans-62.8-23.2167.4-68.1173000113.8L81 R84 V85 I88 I110 F111 D114 K115 E120 F121L81-L117 HydrophobicContact CB-CD2 4.47Å; L81-L117 HydrophobicContact CD2-CD2 3.58Å; L81-L117 HydrophobicContact CD2-CG 3.97Å; R84-L117 HydrophobicContact CB-CD2 3.9Å; V85-L117 HydrophobicContact CG2-CB 4.46Å; V85-L117 HydrophobicContact CG2-CD2 3.91Å; I88-L117 HydrophobicContact CD1-CD1 4.36Å; I110-L117 HydrophobicContact CG2-CD1 3.51Å; F111-L117 HydrophobicContact CD1-CB 4.19Å; F111-L117 HydrophobicContact CE1-CB 4.28Å; D114-L117 HydrophobicContact CB-CD1 3.97Å; D114-L117 HydrophobicContact CB-CG 4.22Å; D114-L117 PolarHBondContact O-N 3.25Å; K115-L117 PolarHBondContact O-N 3.42Å; L117-E120 PolarHBondContact O-N 3.45Å; L117-F121 VanDerWaalsContact O-CB 3.26Å; L117-F121 WeakPolarHBondContact O-CB 3.34Å; L117-F121 PolarHBondContact O-N 2.96Å
118V91.9Very high89.9Confident2 Ų247.7 Ų47.71%0.01224%0.243CC..Hα-helixtrans-68.9-40.1-171179.60000111.6F111 K115 D116 F121 V122 I152 Y155F111-V118 HydrophobicContact CB-CG2 3.9Å; F111-V118 HydrophobicContact CD1-CG2 3.63Å; F111-V118 HydrophobicContact CE1-CG2 4.46Å; F111-V118 HydrophobicContact CG-CG2 4Å; K115-V118 WeakPolarHBondContact O-CB 3.32Å; K115-V118 WeakPolarHBondContact O-CG2 3.5Å; K115-V118 PolarHBondContact O-N 3.18Å; K115-V118 VanDerWaalsContact O-N 3.09Å; D116-V118 PolarHBondContact O-N 3.37Å; V118-F121 PolarHBondContact O-N 3.18Å; V118-V122 WeakPolarHBondContact O-CG2 3.36Å; V118-V122 PolarHBondContact O-N 3.28Å; V118-I152 HydrophobicContact CG1-CG2 4.05Å; V118-Y155 HydrophobicContact CB-CD2 4.41Å; V118-Y155 HydrophobicContact CB-CG 4.48Å; V118-Y155 HydrophobicContact CG1-CD2 4.16Å; V118-Y155 HydrophobicContact CG1-CG 4.34Å; V118-Y155 HydrophobicContact CG2-CD2 3.82Å; V118-Y155 HydrophobicContact CG2-CE2 4.06Å; V118-Y155 HydrophobicContact CG2-CG 4.22Å
119H91.2Very high90Very high80 Ų8045.5 Ų45.537%0.3723%0.234SC..Hα-helixtrans-62.1-51.8175.8178.263.9000111F121 V122 T123 D157H119-F121 VanDerWaalsContact C-N 3.3Å; H119-F121 PolarHBondContact O-N 3.03Å; H119-V122 WeakPolarHBondContact O-CB 3.24Å; H119-V122 PolarHBondContact O-N 3.32Å; H119-V122 VanDerWaalsContact O-N 3.12Å; H119-T123 PolarHBondContact O-N 2.96Å; H119-T123 PolarHBondContact O-OG1 3.02Å; H119-T123 VanDerWaalsContact O-OG1 3.09Å; H119-D157 HydrophobicContact CB-CB 4.06Å; H119-D157 IonicContact ND1-OD1 3.15Å
120E91.6Very high90.4Very high44 Ų4441.8 Ų41.821%0.20622%0.217CC..Hα-helixtrans-60.6-37.3179.5-66.5-72.8-174.600112.5L81 V82 V85 L117 V122 T123 H124L81-E120 HydrophobicContact CB-CG 3.9Å; V82-E120 WeakPolarHBondContact CG2-OE2 2.94Å; V85-E120 HydrophobicContact CB-CB 4.34Å; V85-E120 HydrophobicContact CG2-CB 3.68Å; L117-E120 PolarHBondContact O-N 3.45Å; E120-V122 VanDerWaalsContact C-N 3.34Å; E120-V122 PolarHBondContact O-N 2.84Å; E120-T123 PolarHBondContact O-N 2.75Å; E120-H124 WeakPolarHBondContact O-CB 3.21Å; E120-H124 PolarHBondContact O-N 2.93Å
121F94.1Very high90.8Very high0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-68.4-30.1177.1-173.4-95.7000113.3V85 I88 I89 F111 L117 V118 H119 G126 L130 I152V85-F121 HydrophobicContact CG1-CB 4.29Å; V85-F121 HydrophobicContact CG1-CD2 4.26Å; V85-F121 HydrophobicContact CG2-CB 4.18Å; I88-F121 HydrophobicContact CG2-CD2 4.43Å; I88-F121 HydrophobicContact CG2-CE2 4.04Å; I89-F121 HydrophobicContact CD1-CD2 4.36Å; I89-F121 HydrophobicContact CD1-CE2 4.41Å; I89-F121 HydrophobicContact CG1-CD2 4.14Å; I89-F121 HydrophobicContact CG1-CE2 3.81Å; F111-F121 HydrophobicContact CE1-CB 3.84Å; F111-F121 HydrophobicContact CE1-CD1 4.26Å; F111-F121 HydrophobicContact CE1-CD2 4.24Å; F111-F121 AromaticContact CE1-CG 3.87Å; F111-F121 HydrophobicContact CE1-CG 3.87Å; F111-F121 HydrophobicContact CE2-CD1 4.4Å; F111-F121 HydrophobicContact CE2-CE1 4.4Å; F111-F121 HydrophobicContact CZ-CB 4.02Å; F111-F121 AromaticContact CZ-CD1 3.61Å; F111-F121 HydrophobicContact CZ-CD1 3.61Å; F111-F121 AromaticContact CZ-CD2 3.73Å; F111-F121 HydrophobicContact CZ-CD2 3.73Å; F111-F121 AromaticContact CZ-CE1 3.93Å; F111-F121 HydrophobicContact CZ-CE1 3.93Å; F111-F121 HydrophobicContact CZ-CE2 4.04Å; F111-F121 AromaticContact CZ-CG 3.5Å; F111-F121 HydrophobicContact CZ-CG 3.5Å; F111-F121 HydrophobicContact CZ-CZ 4.13Å; L117-F121 VanDerWaalsContact O-CB 3.26Å; L117-F121 WeakPolarHBondContact O-CB 3.34Å; L117-F121 PolarHBondContact O-N 2.96Å; V118-F121 PolarHBondContact O-N 3.18Å; H119-F121 VanDerWaalsContact C-N 3.3Å; H119-F121 PolarHBondContact O-N 3.03Å; F121-G126 WeakPolarHBondContact CE1-O 3.21Å; F121-G126 WeakPolarHBondContact CZ-O 3.42Å; F121-G126 VanDerWaalsContact O-CA 3.25Å; F121-G126 WeakPolarHBondContact O-CA 3.32Å; F121-G126 PolarHBondContact O-N 3.34Å; F121-L130 HydrophobicContact CE1-CD1 3.85Å; F121-L130 HydrophobicContact CE1-CG 4.12Å; F121-L130 HydrophobicContact CZ-CD1 4.15Å; F121-L130 HydrophobicContact CZ-CD2 4.34Å; F121-L130 HydrophobicContact CZ-CG 3.99Å; F121-I152 HydrophobicContact CD1-CD1 3.94Å; F121-I152 HydrophobicContact CE1-CD1 3.83Å
122V93.2Very high90.9Very high15 Ų1543 Ų439%0.09123%0.225CC..Hα-helixtrans-69.9-55.2168.6171.90000109.8V118 H119 E120 H124 S125 L127 G161V118-V122 WeakPolarHBondContact O-CG2 3.36Å; V118-V122 PolarHBondContact O-N 3.28Å; H119-V122 WeakPolarHBondContact O-CB 3.24Å; H119-V122 PolarHBondContact O-N 3.32Å; H119-V122 VanDerWaalsContact O-N 3.12Å; E120-V122 VanDerWaalsContact C-N 3.34Å; E120-V122 PolarHBondContact O-N 2.84Å; V122-H124 PolarHBondContact O-N 3.32Å; V122-H124 VanDerWaalsContact O-N 3.15Å; V122-S125 PolarHBondContact O-N 3.23Å; V122-L127 HydrophobicContact CB-CD1 4.46Å; V122-L127 HydrophobicContact CG1-CD1 4.1Å; V122-L127 HydrophobicContact CG2-CD1 3.96Å; V122-L127 HydrophobicContact CG2-CD2 4.41Å; V122-L127 HydrophobicContact CG2-CG 4.11Å; V122-G161 VanDerWaalsContact CG1-CA 3.5Å
123T90.9Very high91.1Very high78 Ų7839.6 Ų39.648%0.47921%0.21SC..Hα-helixtrans-57.7-30.9-175.9-56.90000113.5H119 E120H119-T123 PolarHBondContact O-N 2.96Å; H119-T123 PolarHBondContact O-OG1 3.02Å; H119-T123 VanDerWaalsContact O-OG1 3.09Å; E120-T123 PolarHBondContact O-N 2.75Å
124H91.6Very high91.6Very high62 Ų6233.9 Ų33.929%0.28718%0.179SC..THydrogen-bonded Turntrans-97.729.9176.8-72.5-32.9000114.8V82 V85 I89 E120 V122 G126V82-H124 WeakPolarHBondContact CG1-NE2 3.31Å; V85-H124 HydrophobicContact CG1-CB 4.01Å; I89-H124 HydrophobicContact CD1-CB 4.21Å; I89-H124 VanDerWaalsContact CD1-O 3.27Å; I89-H124 WeakPolarHBondContact CD1-O 3.47Å; E120-H124 WeakPolarHBondContact O-CB 3.21Å; E120-H124 PolarHBondContact O-N 2.93Å; V122-H124 PolarHBondContact O-N 3.32Å; V122-H124 VanDerWaalsContact O-N 3.15Å; H124-G126 PolarHBondContact O-N 3.08Å; H124-G126 VanDerWaalsContact O-N 3.09Å
125S90.8Very high91.9Very high67 Ų6736.3 Ų36.347%0.46920%0.198SC..THydrogen-bonded Turntrans59.821.1173.5-50.10000115.1V122 L127 D128 C129V122-S125 PolarHBondContact O-N 3.23Å; S125-L127 PolarHBondContact O-N 3.45Å; S125-D128 PolarHBondContact O-N 3.08Å; S125-D128 VanDerWaalsContact O-N 3.07Å; S125-C129 PolarHBondContact O-N 3.45Å; S125-C129 VanDerWaalsContact O-N 3.12Å
126G92.9Very high91.7Very high0 Ų039.8 Ų39.80%021%0.208CC..Hα-helixtrans-60-27.617400000112.5F121 H124 C129 L130F121-G126 WeakPolarHBondContact CE1-O 3.21Å; F121-G126 WeakPolarHBondContact CZ-O 3.42Å; F121-G126 VanDerWaalsContact O-CA 3.25Å; F121-G126 WeakPolarHBondContact O-CA 3.32Å; F121-G126 PolarHBondContact O-N 3.34Å; H124-G126 PolarHBondContact O-N 3.08Å; H124-G126 VanDerWaalsContact O-N 3.09Å; G126-C129 WeakPolarHBondContact O-CB 3.24Å; G126-C129 PolarHBondContact O-N 2.85Å; G126-L130 WeakPolarHBondContact O-CG 3.25Å; G126-L130 PolarHBondContact O-N 3.24Å
127L93.9Very high91.8Very high0 Ų038.7 Ų38.70%020%0.204CC..Hα-helixtrans-59.5-47.5170.6-71.3-168.7000113.2V122 S125 C129 L130 V131 I152 G161 H165 I168V122-L127 HydrophobicContact CB-CD1 4.46Å; V122-L127 HydrophobicContact CG1-CD1 4.1Å; V122-L127 HydrophobicContact CG2-CD1 3.96Å; V122-L127 HydrophobicContact CG2-CD2 4.41Å; V122-L127 HydrophobicContact CG2-CG 4.11Å; S125-L127 PolarHBondContact O-N 3.45Å; L127-C129 VanDerWaalsContact C-N 3.34Å; L127-L130 PolarHBondContact O-N 3.28Å; L127-V131 PolarHBondContact O-N 3.48Å; L127-I152 HydrophobicContact CD2-CD1 4.32Å; L127-I152 HydrophobicContact CD2-CG2 4.31Å; L127-G161 VanDerWaalsContact CD1-C 3.43Å; L127-G161 WeakPolarHBondContact CD1-O 3.32Å; L127-H165 HydrophobicContact CD1-CB 4.38Å; L127-I168 HydrophobicContact CB-CD1 3.81Å; L127-I168 HydrophobicContact CD1-CD1 3.97Å; L127-I168 HydrophobicContact CD2-CD1 3.8Å; L127-I168 HydrophobicContact CG-CD1 4.05Å
128D92.2Very high91.7Very high50 Ų5041.2 Ų41.227%0.26722%0.218SC..Hα-helixtrans-71.9-30.1176.8-64.6-59.1000111.8S125 V131 N132 H165S125-D128 PolarHBondContact O-N 3.08Å; S125-D128 VanDerWaalsContact O-N 3.07Å; D128-V131 PolarHBondContact O-N 3.29Å; D128-N132 WeakPolarHBondContact O-CB 2.89Å; D128-N132 PolarHBondContact O-N 3.25Å; D128-H165 IonicContact OD1-ND1 3.13Å; D128-H165 PolarHBondContact OD1-ND1 3.23Å; D128-H165 IonicContact OD2-CE1 3.41Å; D128-H165 PolarHBondContact OD2-CE1 2.63Å; D128-H165 IonicContact OD2-ND1 3.84Å; D128-H165 PolarHBondContact OD2-ND1 2.83Å
129C93.2Very high91.7Very high10 Ų1043.7 Ų43.77%0.06823%0.229CC..Hα-helixtrans-57.7-47.2169.3-178.50000111.3I89 S125 G126 L127 V131 N132 V133I89-C129 HydrophobicContact CG2-CB 4.27Å; S125-C129 PolarHBondContact O-N 3.45Å; S125-C129 VanDerWaalsContact O-N 3.12Å; G126-C129 WeakPolarHBondContact O-CB 3.24Å; G126-C129 PolarHBondContact O-N 2.85Å; L127-C129 VanDerWaalsContact C-N 3.34Å; C129-V131 PolarHBondContact O-N 3.38Å; C129-N132 PolarHBondContact O-N 2.98Å; C129-V133 WeakPolarHBondContact O-CG2 3.2Å; C129-V133 PolarHBondContact O-N 3.07Å
130L94.3Very high91.6Very high5 Ų541.7 Ų41.73%0.02622%0.221CC..Hα-helixtrans-61.4-40.6176.6-68.7-176.1000112.4L92 L104 L107 F121 G126 L127 G134 I145 I152L92-L130 HydrophobicContact CD1-CD2 4.43Å; L104-L130 HydrophobicContact CD2-CD2 4.34Å; L107-L130 HydrophobicContact CD2-CD2 3.83Å; F121-L130 HydrophobicContact CE1-CD1 3.85Å; F121-L130 HydrophobicContact CE1-CG 4.12Å; F121-L130 HydrophobicContact CZ-CD1 4.15Å; F121-L130 HydrophobicContact CZ-CD2 4.34Å; F121-L130 HydrophobicContact CZ-CG 3.99Å; G126-L130 WeakPolarHBondContact O-CG 3.25Å; G126-L130 PolarHBondContact O-N 3.24Å; L127-L130 PolarHBondContact O-N 3.28Å; L130-G134 PolarHBondContact O-N 3.3Å; L130-I145 HydrophobicContact CB-CG2 3.92Å; L130-I145 HydrophobicContact CD2-CG1 4.34Å; L130-I145 HydrophobicContact CD2-CG2 4.18Å; L130-I145 HydrophobicContact CG-CG2 4.43Å; L130-I152 HydrophobicContact CD1-CD1 3.94Å
131V93.7Very high91.5Very high19 Ų1940.2 Ų40.212%0.11522%0.215CC..Hα-helixtrans-65.9-44.1176.1174.60000111.4L127 D128 C129 G134 S135 I168 W171L127-V131 PolarHBondContact O-N 3.48Å; D128-V131 PolarHBondContact O-N 3.29Å; C129-V131 PolarHBondContact O-N 3.38Å; V131-G134 PolarHBondContact O-N 3.49Å; V131-S135 VanDerWaalsContact O-CB 3.24Å; V131-S135 WeakPolarHBondContact O-CB 3.03Å; V131-S135 PolarHBondContact O-N 3.09Å; V131-S135 PolarHBondContact O-OG 2.95Å; V131-I168 HydrophobicContact CG2-CB 4.42Å; V131-I168 HydrophobicContact CG2-CG1 3.49Å; V131-I168 VanDerWaalsContact CG2-CG1 3.49Å; V131-W171 HydrophobicContact CG1-CB 4Å; V131-W171 HydrophobicContact CG1-CG 4.12Å; V131-W171 HydrophobicContact CG2-CB 4.43Å; V131-W171 HydrophobicContact CG2-CE3 4.45Å
132N92.4Very high91.5Very high65 Ų6541.3 Ų41.335%0.34822%0.22SC..Hα-helixtrans-65.6-45.5-179.1-179.340.3000112.2D128 C129 R136D128-N132 WeakPolarHBondContact O-CB 2.89Å; D128-N132 PolarHBondContact O-N 3.25Å; C129-N132 PolarHBondContact O-N 2.98Å; N132-R136 WeakPolarHBondContact O-CG 3.22Å; N132-R136 VanDerWaalsContact OD1-CZ 3.25Å; N132-R136 PolarHBondContact OD1-NE 3.13Å; N132-R136 PolarHBondContact OD1-NH2 2.92Å
133V91.8Very high91.4Very high16 Ų1641 Ų4110%0.09722%0.217CC..Hα-helixtrans-65.4-49.3174.8178.10000109.9L100 C129 S135 R136 S137 I141 I145L100-V133 HydrophobicContact CD1-CG1 4.35Å; L100-V133 HydrophobicContact CD2-CG1 4.08Å; C129-V133 WeakPolarHBondContact O-CG2 3.2Å; C129-V133 PolarHBondContact O-N 3.07Å; V133-S135 VanDerWaalsContact C-N 3.34Å; V133-S135 PolarHBondContact O-N 3.27Å; V133-R136 PolarHBondContact O-N 3.46Å; V133-R136 VanDerWaalsContact O-N 3.17Å; V133-S137 VanDerWaalsContact O-CB 3.27Å; V133-S137 WeakPolarHBondContact O-CB 3.12Å; V133-S137 PolarHBondContact O-N 3.01Å; V133-S137 PolarHBondContact O-OG 2.93Å; V133-I141 HydrophobicContact CG1-CG2 4.21Å; V133-I145 HydrophobicContact CB-CD1 4.17Å; V133-I145 HydrophobicContact CG1-CD1 3.88Å
134G91.5Very high91.5Very high0 Ų039.8 Ų39.80%021%0.205CC..Hα-helixtrans-62.2-35.9-17700000114.2L130 V131 R136 S137 Q142L130-G134 PolarHBondContact O-N 3.3Å; V131-G134 PolarHBondContact O-N 3.49Å; G134-R136 VanDerWaalsContact C-N 3.26Å; G134-R136 PolarHBondContact O-N 2.91Å; G134-S137 PolarHBondContact O-N 3.1Å; G134-Q142 VanDerWaalsContact O-CG 3.3Å; G134-Q142 WeakPolarHBondContact O-CG 3.38Å; G134-Q142 PolarHBondContact O-NE2 2.79Å
135S90.8Very high91.6Very high70 Ų7036.9 Ų36.949%0.4919%0.191SC..Hα-helixtrans-67.3-22.6178-61.30000113.9V131 V133 W171V131-S135 VanDerWaalsContact O-CB 3.24Å; V131-S135 WeakPolarHBondContact O-CB 3.03Å; V131-S135 PolarHBondContact O-N 3.09Å; V131-S135 PolarHBondContact O-OG 2.95Å; V133-S135 VanDerWaalsContact C-N 3.34Å; V133-S135 PolarHBondContact O-N 3.27Å; S135-W171 PolarHBondContact OG-NE1 2.66Å
136R86.1Confident91.8Very high199 Ų19933.7 Ų33.775%0.75117%0.169SC*.THydrogen-bonded Turntrans-102.2-2.1-177.1-59.4176.8-164.5-130.63.5114N132 V133 G134N132-R136 WeakPolarHBondContact O-CG 3.22Å; N132-R136 VanDerWaalsContact OD1-CZ 3.25Å; N132-R136 PolarHBondContact OD1-NE 3.13Å; N132-R136 PolarHBondContact OD1-NH2 2.92Å; V133-R136 PolarHBondContact O-N 3.46Å; V133-R136 VanDerWaalsContact O-N 3.17Å; G134-R136 VanDerWaalsContact C-N 3.26Å; G134-R136 PolarHBondContact O-N 2.91Å
137S88.9Confident91.8Very high30 Ų3035.1 Ų35.121%0.2117%0.174CC..SBendtrans-109.4165.9-158.7-73.40000115.7V133 G134 I141 Q142V133-S137 VanDerWaalsContact O-CB 3.27Å; V133-S137 WeakPolarHBondContact O-CB 3.12Å; V133-S137 PolarHBondContact O-N 3.01Å; V133-S137 PolarHBondContact O-OG 2.93Å; G134-S137 PolarHBondContact O-N 3.1Å; S137-I141 VanDerWaalsContact OG-CG2 3.25Å; S137-I141 WeakPolarHBondContact OG-CG2 3.24Å; S137-Q142 PolarHBondContact O-NE2 3.27Å
138D90Very high91.6Very high54 Ų5435.1 Ų35.129%0.28917%0.174SC..  trans-68.2163.117187.9-20.7000112.5K101 N140 I141 Q142K101-D138 WeakPolarHBondContact CE-OD1 3.5Å; K101-D138 IonicContact NZ-OD1 2.72Å; K101-D138 IonicContact NZ-OD2 2.67Å; K101-D138 PolarHBondContact NZ-OD2 2.64Å; D138-N140 PolarHBondContact O-N 3.14Å; D138-N140 VanDerWaalsContact O-N 3.17Å; D138-N140 WeakPolarHBondContact OD1-CB 2.92Å; D138-N140 PolarHBondContact OD1-N 2.8Å; D138-N140 PolarHBondContact OD2-ND2 3.42Å; D138-I141 PolarHBondContact O-N 2.71Å; D138-I141 WeakPolarHBondContact OD1-CB 3.32Å; D138-I141 WeakPolarHBondContact OD1-CG1 3.44Å; D138-I141 PolarHBondContact OD1-N 2.72Å; D138-Q142 WeakPolarHBondContact O-CG 3.24Å; D138-Q142 PolarHBondContact O-N 3.45Å
139Q90.3Very high91.8Very high53 Ų5332.8 Ų32.825%0.24816%0.162CC..Hα-helixtrans-58.3-26.11793552.748.200114.3N143 F180 V183Q139-N143 WeakPolarHBondContact O-CB 3.31Å; Q139-N143 PolarHBondContact O-N 3.46Å; Q139-F180 HydrophobicContact CB-CB 3.84Å; Q139-F180 HydrophobicContact CB-CD1 4.17Å; Q139-F180 HydrophobicContact CB-CD2 3.53Å; Q139-F180 HydrophobicContact CB-CE2 4.08Å; Q139-F180 HydrophobicContact CB-CG 3.57Å; Q139-F180 HydrophobicContact CG-CB 4.17Å; Q139-F180 HydrophobicContact CG-CD1 3.53Å; Q139-F180 HydrophobicContact CG-CD2 3.46Å; Q139-F180 VanDerWaalsContact CG-CD2 3.46Å; Q139-F180 HydrophobicContact CG-CE1 3.63Å; Q139-F180 HydrophobicContact CG-CE2 3.57Å; Q139-F180 HydrophobicContact CG-CG 3.42Å; Q139-F180 VanDerWaalsContact CG-CG 3.42Å; Q139-F180 HydrophobicContact CG-CZ 3.64Å; Q139-V183 HydrophobicContact CB-CG2 3.82Å
140N89.2Confident91.7Very high38 Ų3833.1 Ų33.120%0.20317%0.167CC..Hα-helixtrans-70.8-48.8178.1-65.2-75.6000109.8D138 N143 Y144D138-N140 PolarHBondContact O-N 3.14Å; D138-N140 VanDerWaalsContact O-N 3.17Å; D138-N140 WeakPolarHBondContact OD1-CB 2.92Å; D138-N140 PolarHBondContact OD1-N 2.8Å; D138-N140 PolarHBondContact OD2-ND2 3.42Å; N140-N143 WeakPolarHBondContact O-CB 3.42Å; N140-N143 PolarHBondContact O-N 2.83Å; N140-Y144 HydrophobicContact CB-CE2 4.31Å; N140-Y144 WeakPolarHBondContact O-CD2 3.27Å; N140-Y144 VanDerWaalsContact O-CG 3.31Å; N140-Y144 PolarHBondContact O-N 3.17Å
141I90.8Very high91.6Very high14 Ų1433.8 Ų33.87%0.07217%0.17CC..Hα-helixtrans-64.3-44.8176.8-74.1160.3000110.5L100 K101 L104 V133 S137 D138 N143 Y144 I145L100-I141 HydrophobicContact CD2-CD1 4.07Å; K101-I141 HydrophobicContact CD-CG1 4.34Å; K101-I141 HydrophobicContact CG-CD1 4.1Å; K101-I141 HydrophobicContact CG-CG1 3.67Å; L104-I141 HydrophobicContact CD1-CB 4.38Å; L104-I141 HydrophobicContact CD1-CG1 4.41Å; L104-I141 HydrophobicContact CD1-CG2 3.59Å; V133-I141 HydrophobicContact CG1-CG2 4.21Å; S137-I141 VanDerWaalsContact OG-CG2 3.25Å; S137-I141 WeakPolarHBondContact OG-CG2 3.24Å; D138-I141 PolarHBondContact O-N 2.71Å; D138-I141 WeakPolarHBondContact OD1-CB 3.32Å; D138-I141 WeakPolarHBondContact OD1-CG1 3.44Å; D138-I141 PolarHBondContact OD1-N 2.72Å; I141-N143 VanDerWaalsContact C-N 3.29Å; I141-N143 PolarHBondContact O-N 3.25Å; I141-Y144 PolarHBondContact O-N 3.25Å; I141-I145 HydrophobicContact CG2-CD1 3.73Å; I141-I145 HydrophobicContact CG2-CG1 4.49Å; I141-I145 VanDerWaalsContact O-CG1 3.3Å; I141-I145 WeakPolarHBondContact O-CG1 3.4Å; I141-I145 PolarHBondContact O-N 3.22Å
142Q93.7Very high91.6Very high23 Ų2332.9 Ų32.911%0.10716%0.164CC..Hα-helixtrans-56.3-44.6172.9-72.3179.2-1400111.4G134 S137 D138 I145 L146 W171G134-Q142 VanDerWaalsContact O-CG 3.3Å; G134-Q142 WeakPolarHBondContact O-CG 3.38Å; G134-Q142 PolarHBondContact O-NE2 2.79Å; S137-Q142 PolarHBondContact O-NE2 3.27Å; D138-Q142 WeakPolarHBondContact O-CG 3.24Å; D138-Q142 PolarHBondContact O-N 3.45Å; Q142-I145 PolarHBondContact O-N 3.36Å; Q142-L146 WeakPolarHBondContact O-CB 3.4Å; Q142-L146 WeakPolarHBondContact O-CG 3.03Å; Q142-L146 PolarHBondContact O-N 2.82Å; Q142-W171 HydrophobicContact CG-CZ2 4.47Å
143N91.7Very high91.5Very high7 Ų730 Ų304%0.03715%0.149CC..Hα-helixtrans-61.4-48.4176.3-174.1-24.4000111.8Q139 N140 I141 I145 L146 R147 L182Q139-N143 WeakPolarHBondContact O-CB 3.31Å; Q139-N143 PolarHBondContact O-N 3.46Å; N140-N143 WeakPolarHBondContact O-CB 3.42Å; N140-N143 PolarHBondContact O-N 2.83Å; I141-N143 VanDerWaalsContact C-N 3.29Å; I141-N143 PolarHBondContact O-N 3.25Å; N143-I145 VanDerWaalsContact C-N 3.32Å; N143-I145 PolarHBondContact O-N 2.59Å; N143-L146 PolarHBondContact O-N 3.14Å; N143-R147 PolarHBondContact ND2-NH1 3.02Å; N143-R147 WeakPolarHBondContact O-CB 3.47Å; N143-R147 VanDerWaalsContact O-CG 3.26Å; N143-R147 WeakPolarHBondContact O-CG 3.46Å; N143-R147 PolarHBondContact O-N 3.41Å; N143-R147 WeakPolarHBondContact OD1-CD 3.34Å; N143-R147 PolarHBondContact OD1-NE 3.27Å; N143-R147 PolarHBondContact OD1-NH1 2.8Å; N143-L182 WeakPolarHBondContact ND2-CD2 3.39Å
144Y92.4Very high91.4Very high54 Ų5432.2 Ų32.221%0.21216%0.16CC..Hα-helixtrans-59.9-39.6175.5-58.5-41.9000112.7K101 F105 N140 I141 R147 A148K101-Y144 HydrophobicContact CB-CE2 4.25Å; K101-Y144 HydrophobicContact CG-CE2 4.22Å; F105-Y144 HydrophobicContact CD2-CD1 4.24Å; F105-Y144 AromaticContact CD2-CE1 3.81Å; F105-Y144 HydrophobicContact CD2-CE1 3.81Å; N140-Y144 HydrophobicContact CB-CE2 4.31Å; N140-Y144 WeakPolarHBondContact O-CD2 3.27Å; N140-Y144 VanDerWaalsContact O-CG 3.31Å; N140-Y144 PolarHBondContact O-N 3.17Å; I141-Y144 PolarHBondContact O-N 3.25Å; Y144-R147 PolarHBondContact O-N 2.89Å; Y144-A148 PolarHBondContact O-N 2.85Å
145I94Very high91.4Very high0 Ų034.6 Ų34.60%017%0.169CC..Hα-helixtrans-63.9-45.8174.8-69165.5000111.1L104 L130 V133 I141 Q142 N143 R147 A148 L149 W171L104-I145 HydrophobicContact CD1-CD1 4.12Å; L104-I145 HydrophobicContact CD1-CG1 3.91Å; L104-I145 HydrophobicContact CD2-CD1 4.41Å; L104-I145 HydrophobicContact CD2-CG1 3.63Å; L104-I145 HydrophobicContact CG-CG1 4.4Å; L130-I145 HydrophobicContact CB-CG2 3.92Å; L130-I145 HydrophobicContact CD2-CG1 4.34Å; L130-I145 HydrophobicContact CD2-CG2 4.18Å; L130-I145 HydrophobicContact CG-CG2 4.43Å; V133-I145 HydrophobicContact CB-CD1 4.17Å; V133-I145 HydrophobicContact CG1-CD1 3.88Å; I141-I145 HydrophobicContact CG2-CD1 3.73Å; I141-I145 HydrophobicContact CG2-CG1 4.49Å; I141-I145 VanDerWaalsContact O-CG1 3.3Å; I141-I145 WeakPolarHBondContact O-CG1 3.4Å; I141-I145 PolarHBondContact O-N 3.22Å; Q142-I145 PolarHBondContact O-N 3.36Å; N143-I145 VanDerWaalsContact C-N 3.32Å; N143-I145 PolarHBondContact O-N 2.59Å; I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 PolarHBondContact O-N 2.9Å; I145-A148 PolarHBondContact O-N 3.45Å; I145-L149 WeakPolarHBondContact O-CB 3.49Å; I145-L149 PolarHBondContact O-N 2.83Å; I145-W171 HydrophobicContact CB-CH2 4.29Å; I145-W171 HydrophobicContact CG2-CH2 3.59Å; I145-W171 HydrophobicContact CG2-CZ3 4.01Å
146L94.9Very high91.3Very high1 Ų133.3 Ų33.31%0.00516%0.158CC..Hα-helixtrans-62.8-34.8175.9-67.4167000111.9Q142 N143 G150 W171 L172 L175 V183 T186 L190Q142-L146 WeakPolarHBondContact O-CB 3.4Å; Q142-L146 WeakPolarHBondContact O-CG 3.03Å; Q142-L146 PolarHBondContact O-N 2.82Å; N143-L146 PolarHBondContact O-N 3.14Å; L146-G150 PolarHBondContact O-N 3.38Å; L146-W171 HydrophobicContact CD2-CH2 3.98Å; L146-W171 HydrophobicContact CD2-CZ3 3.84Å; L146-W171 HydrophobicContact CG-CH2 4.2Å; L146-L172 HydrophobicContact CD2-CD2 3.34Å; L146-L175 HydrophobicContact CD1-CD1 4.07Å; L146-L175 HydrophobicContact CD2-CD1 3.94Å; L146-L175 HydrophobicContact CG-CD1 4.39Å; L146-V183 HydrophobicContact CD1-CG1 3.99Å; L146-T186 HydrophobicContact CB-CG2 3.73Å; L146-T186 HydrophobicContact CD1-CG2 4.32Å; L146-L190 HydrophobicContact CB-CD1 4.27Å; L146-L190 HydrophobicContact CD2-CD1 3.79Å
147R91.2Very high91.3Very high29 Ų2927.1 Ų27.111%0.10914%0.14CC..Hα-helixtrans-68.8-35.5175-70.3-178.6146.7132.4-1.2112.2K108 N143 Y144 I145 Q151 D1401 Q1404K108-R147 WeakPolarHBondContact CG-O 3.35Å; N143-R147 PolarHBondContact ND2-NH1 3.02Å; N143-R147 WeakPolarHBondContact O-CB 3.47Å; N143-R147 VanDerWaalsContact O-CG 3.26Å; N143-R147 WeakPolarHBondContact O-CG 3.46Å; N143-R147 PolarHBondContact O-N 3.41Å; N143-R147 WeakPolarHBondContact OD1-CD 3.34Å; N143-R147 PolarHBondContact OD1-NE 3.27Å; N143-R147 PolarHBondContact OD1-NH1 2.8Å; Y144-R147 PolarHBondContact O-N 2.89Å; I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 PolarHBondContact O-N 2.9Å; R147-Q151 PolarHBondContact O-N 3Å; R147-D1401 IonicContact NH2-OD1 2.74Å; R147-D1401 PolarHBondContact NH2-OD1 3.2Å; R147-Q1404 VanDerWaalsContact CZ-OE1 3.27Å
148A91.6Very high91.4Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-74.3-44.2172.800000112.6L107 K108 Y144 I145 G150 Q151 I152L107-A148 HydrophobicContact CB-CB 4.23Å; L107-A148 HydrophobicContact CD2-CB 3.78Å; L107-A148 HydrophobicContact CG-CB 3.96Å; K108-A148 HydrophobicContact CB-CB 4.46Å; Y144-A148 PolarHBondContact O-N 2.85Å; I145-A148 PolarHBondContact O-N 3.45Å; A148-G150 VanDerWaalsContact C-N 3.3Å; A148-G150 PolarHBondContact O-N 2.84Å; A148-Q151 WeakPolarHBondContact O-CA 3.24Å; A148-Q151 WeakPolarHBondContact O-CB 3.3Å; A148-Q151 PolarHBondContact O-N 3.32Å; A148-I152 WeakPolarHBondContact O-CG1 3.49Å; A148-I152 PolarHBondContact O-N 2.88Å
149L94.6Very high91.5Very high2 Ų223.1 Ų23.11%0.0112%0.116CC..Hα-helixtrans-59.7-40.9174.7178.961.4000111.5I145 Q151 I152 M153 V162 I168 W171 L172 L190I145-L149 WeakPolarHBondContact O-CB 3.49Å; I145-L149 PolarHBondContact O-N 2.83Å; L149-Q151 PolarHBondContact O-N 2.88Å; L149-I152 WeakPolarHBondContact O-CB 3.33Å; L149-I152 PolarHBondContact O-N 2.96Å; L149-M153 HydrophobicContact CD1-CG 4.36Å; L149-M153 HydrophobicContact CD1-SD 4.35Å; L149-M153 HydrophobicContact CG-SD 4.1Å; L149-M153 WeakPolarHBondContact O-CG 3.42Å; L149-M153 PolarHBondContact O-N 3.32Å; L149-V162 HydrophobicContact CD1-CG2 3.91Å; L149-I168 HydrophobicContact CD1-CD1 4.11Å; L149-I168 HydrophobicContact CD1-CG2 4.42Å; L149-I168 HydrophobicContact CD2-CG2 3.85Å; L149-W171 HydrophobicContact CD2-CZ3 4.3Å; L149-L172 HydrophobicContact CD2-CD1 4.37Å; L149-L172 HydrophobicContact CD2-CD2 4.18Å; L149-L190 HydrophobicContact CB-CD1 4.42Å; L149-L190 HydrophobicContact CD2-CD1 4.03Å; L149-L190 HydrophobicContact CG-CD1 4.2Å
150G92.1Very high91.5Very high17 Ų1722.1 Ų22.118%0.17512%0.117CC..Hα-helixtrans-62.3-27.7172.800000114.1L146 A148 L154L146-G150 PolarHBondContact O-N 3.38Å; A148-G150 VanDerWaalsContact C-N 3.3Å; A148-G150 PolarHBondContact O-N 2.84Å; G150-L154 WeakPolarHBondContact O-CG 3.49Å
151Q92.3Very high91.5Very high19 Ų1920.3 Ų20.39%0.08911%0.108CC..Hα-helixtrans-76.6-44.3171.5-173.366.636.700111K108 F111 Q112 R147 A148 L149 M153 L154 Y155K108-Q151 HydrophobicContact CG-CB 4.15Å; F111-Q151 HydrophobicContact CB-CG 4.14Å; Q112-Q151 HydrophobicContact CB-CG 4.46Å; R147-Q151 PolarHBondContact O-N 3Å; A148-Q151 WeakPolarHBondContact O-CA 3.24Å; A148-Q151 WeakPolarHBondContact O-CB 3.3Å; A148-Q151 PolarHBondContact O-N 3.32Å; L149-Q151 PolarHBondContact O-N 2.88Å; Q151-M153 VanDerWaalsContact C-N 3.3Å; Q151-M153 PolarHBondContact O-N 3.13Å; Q151-L154 WeakPolarHBondContact O-CB 3.48Å; Q151-L154 PolarHBondContact O-N 2.71Å; Q151-L154 VanDerWaalsContact O-N 3.15Å; Q151-Y155 HydrophobicContact CG-CE2 4.19Å; Q151-Y155 PolarHBondContact NE2-OH 2.72Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.46Å; Q151-Y155 WeakPolarHBondContact O-CE2 3.42Å
152I92.6Very high91.5Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-54.5-45.9175.4-69.1169.7000110.9F111 V118 F121 L127 L130 A148 L149 L154 Y155 G158F111-I152 HydrophobicContact CD2-CD1 4.19Å; F111-I152 HydrophobicContact CD2-CG1 3.83Å; F111-I152 HydrophobicContact CE2-CD1 3.7Å; F111-I152 HydrophobicContact CE2-CG1 3.85Å; F111-I152 HydrophobicContact CG-CG1 4.38Å; F111-I152 HydrophobicContact CZ-CD1 4.19Å; F111-I152 HydrophobicContact CZ-CG1 4.43Å; V118-I152 HydrophobicContact CG1-CG2 4.05Å; F121-I152 HydrophobicContact CD1-CD1 3.94Å; F121-I152 HydrophobicContact CE1-CD1 3.83Å; L127-I152 HydrophobicContact CD2-CD1 4.32Å; L127-I152 HydrophobicContact CD2-CG2 4.31Å; L130-I152 HydrophobicContact CD1-CD1 3.94Å; A148-I152 WeakPolarHBondContact O-CG1 3.49Å; A148-I152 PolarHBondContact O-N 2.88Å; L149-I152 WeakPolarHBondContact O-CB 3.33Å; L149-I152 PolarHBondContact O-N 2.96Å; I152-L154 PolarHBondContact O-N 3.15Å; I152-Y155 PolarHBondContact O-N 3.36Å; I152-Y155 VanDerWaalsContact O-N 3.08Å; I152-G158 WeakPolarHBondContact O-CA 3.17Å
153M91.8Very high91.4Very high5 Ų520.3 Ų20.33%0.02511%0.108CC..THydrogen-bonded Turntrans-65.7-5.4-178.9-71.217572.800115.1L149 Q151 M159 V162 L190 L193 F194L149-M153 HydrophobicContact CD1-CG 4.36Å; L149-M153 HydrophobicContact CD1-SD 4.35Å; L149-M153 HydrophobicContact CG-SD 4.1Å; L149-M153 WeakPolarHBondContact O-CG 3.42Å; L149-M153 PolarHBondContact O-N 3.32Å; Q151-M153 VanDerWaalsContact C-N 3.3Å; Q151-M153 PolarHBondContact O-N 3.13Å; M153-M159 HydrophobicContact CB-CE 4.02Å; M153-M159 HydrophobicContact CE-CE 3.72Å; M153-M159 HydrophobicContact CE-SD 4.02Å; M153-M159 HydrophobicContact CG-CE 4.41Å; M153-V162 HydrophobicContact CE-CG1 4.32Å; M153-V162 HydrophobicContact CG-CG2 3.93Å; M153-V162 HydrophobicContact SD-CG1 4.44Å; M153-V162 HydrophobicContact SD-CG2 4.48Å; M153-L190 HydrophobicContact SD-CB 4.39Å; M153-L190 HydrophobicContact SD-CD2 4.17Å; M153-L193 HydrophobicContact CB-CD2 3.91Å; M153-L193 HydrophobicContact CE-CB 4.4Å; M153-L193 HydrophobicContact CE-CD2 4.18Å; M153-L193 HydrophobicContact CE-CG 4.26Å; M153-F194 HydrophobicContact CE-CB 3.94Å
154L89.4Confident91.1Very high62 Ų6225 Ų2533%0.32513%0.13SC..THydrogen-bonded Turntrans-86.8-14.8172.8-57.2178.2000113.3G150 Q151 I152 L1407G150-L154 WeakPolarHBondContact O-CG 3.49Å; Q151-L154 WeakPolarHBondContact O-CB 3.48Å; Q151-L154 PolarHBondContact O-N 2.71Å; Q151-L154 VanDerWaalsContact O-N 3.15Å; I152-L154 PolarHBondContact O-N 3.15Å; L154-L1407 HydrophobicContact CD1-CD1 3.79Å; L154-L1407 HydrophobicContact CD1-CD2 4.23Å; L154-L1407 HydrophobicContact CD2-CD2 3.74Å
155Y90.4Very high90.8Very high50 Ų5024.3 Ų24.320%0.19613%0.128CC..SBendtrans-97.4145.5174.8-52-88.3000109.2F111 K115 V118 Q151 I152 D157 G158 M159F111-Y155 PolarHBondContact O-OH 2.72Å; K115-Y155 HydrophobicContact CB-CD1 4.05Å; K115-Y155 HydrophobicContact CB-CE1 3.5Å; K115-Y155 VanDerWaalsContact CB-CE1 3.5Å; V118-Y155 HydrophobicContact CB-CD2 4.41Å; V118-Y155 HydrophobicContact CB-CG 4.48Å; V118-Y155 HydrophobicContact CG1-CD2 4.16Å; V118-Y155 HydrophobicContact CG1-CG 4.34Å; V118-Y155 HydrophobicContact CG2-CD2 3.82Å; V118-Y155 HydrophobicContact CG2-CE2 4.06Å; V118-Y155 HydrophobicContact CG2-CG 4.22Å; Q151-Y155 HydrophobicContact CG-CE2 4.19Å; Q151-Y155 PolarHBondContact NE2-OH 2.72Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.46Å; Q151-Y155 WeakPolarHBondContact O-CE2 3.42Å; I152-Y155 PolarHBondContact O-N 3.36Å; I152-Y155 VanDerWaalsContact O-N 3.08Å; Y155-D157 PolarHBondContact O-N 2.8Å; Y155-G158 PolarHBondContact O-N 2.89Å; Y155-M159 PolarHBondContact O-N 2.92Å
156V88.4Confident90.3Very high42 Ų4225.2 Ų25.226%0.25513%0.134SC..Hα-helixtrans-66.2-41-175.3160.30000110.9G158 M159 A160 R1447V156-G158 VanDerWaalsContact C-N 3.32Å; V156-G158 PolarHBondContact O-N 3.24Å; V156-M159 PolarHBondContact O-N 3.03Å; V156-A160 VanDerWaalsContact O-CB 3.29Å; V156-A160 WeakPolarHBondContact O-CB 3.35Å; V156-A160 PolarHBondContact O-N 3.31Å; V156-R1447 VanDerWaalsContact CG2-NH2 3.3Å
157D88.1Confident90.1Very high69 Ų6928.5 Ų28.537%0.36915%0.152SC..Hα-helixtrans-65.7-37.1177.7-44-91.6000111.2H119 Y155 G161H119-D157 HydrophobicContact CB-CB 4.06Å; H119-D157 IonicContact ND1-OD1 3.15Å; Y155-D157 PolarHBondContact O-N 2.8Å; D157-G161 PolarHBondContact O-N 3.31Å
158G90.6Very high90.2Very high0 Ų027.2 Ų27.20%015%0.147CC..Hα-helixtrans-67-42.8173.800000113.4I152 Y155 V156 G161 V162I152-G158 WeakPolarHBondContact O-CA 3.17Å; Y155-G158 PolarHBondContact O-N 2.89Å; V156-G158 VanDerWaalsContact C-N 3.32Å; V156-G158 PolarHBondContact O-N 3.24Å; G158-G161 PolarHBondContact O-N 3.05Å; G158-V162 WeakPolarHBondContact O-CG2 3.49Å; G158-V162 PolarHBondContact O-N 2.65Å; G158-V162 VanDerWaalsContact O-N 3.14Å
159M91.4Very high90.3Very high1 Ų127.3 Ų27.31%0.00515%0.147CC..Hα-helixtrans-69.9-38.1174.5-177.464.18100112.1M153 Y155 V156 G161 V162 I163 L193 F194 Y197M153-M159 HydrophobicContact CB-CE 4.02Å; M153-M159 HydrophobicContact CE-CE 3.72Å; M153-M159 HydrophobicContact CE-SD 4.02Å; M153-M159 HydrophobicContact CG-CE 4.41Å; Y155-M159 PolarHBondContact O-N 2.92Å; V156-M159 PolarHBondContact O-N 3.03Å; M159-G161 VanDerWaalsContact C-N 3.34Å; M159-G161 PolarHBondContact O-N 3.13Å; M159-V162 PolarHBondContact O-N 2.76Å; M159-V162 VanDerWaalsContact O-N 3.11Å; M159-I163 HydrophobicContact CG-CD1 4.14Å; M159-I163 WeakPolarHBondContact O-CG1 3.16Å; M159-I163 PolarHBondContact O-N 3.27Å; M159-L193 HydrophobicContact CE-CG 4.16Å; M159-F194 HydrophobicContact SD-CD2 3.98Å; M159-Y197 HydrophobicContact CB-CE1 4.45Å; M159-Y197 HydrophobicContact CB-CE2 4.21Å; M159-Y197 HydrophobicContact CE-CD2 3.99Å; M159-Y197 HydrophobicContact CE-CG 3.98Å; M159-Y197 HydrophobicContact CG-CD1 3.57Å; M159-Y197 HydrophobicContact CG-CD2 3.78Å; M159-Y197 HydrophobicContact CG-CE1 3.58Å; M159-Y197 HydrophobicContact CG-CE2 3.79Å; M159-Y197 HydrophobicContact CG-CG 3.66Å; M159-Y197 HydrophobicContact SD-CD1 4.39Å; M159-Y197 HydrophobicContact SD-CG 4.2Å
160A89.8Confident90.2Very high31 Ų3129.5 Ų29.526%0.25616%0.156SC..Hα-helixtrans-59.1-45.3173.300000111V156 V162 I163 E164V156-A160 VanDerWaalsContact O-CB 3.29Å; V156-A160 WeakPolarHBondContact O-CB 3.35Å; V156-A160 PolarHBondContact O-N 3.31Å; A160-V162 VanDerWaalsContact C-N 3.32Å; A160-V162 PolarHBondContact O-N 2.92Å; A160-I163 WeakPolarHBondContact O-CB 3.31Å; A160-I163 PolarHBondContact O-N 2.87Å; A160-I163 VanDerWaalsContact O-N 3.09Å; A160-E164 WeakPolarHBondContact O-CG 3.5Å; A160-E164 PolarHBondContact O-N 3.5Å
161G89.4Confident90.3Very high1 Ų129.2 Ų29.21%0.0115%0.149CC..Hα-helixtrans-56.9-40.617100000113.7V122 L127 D157 G158 M159 I163 E164 H165V122-G161 VanDerWaalsContact CG1-CA 3.5Å; L127-G161 VanDerWaalsContact CD1-C 3.43Å; L127-G161 WeakPolarHBondContact CD1-O 3.32Å; D157-G161 PolarHBondContact O-N 3.31Å; G158-G161 PolarHBondContact O-N 3.05Å; M159-G161 VanDerWaalsContact C-N 3.34Å; M159-G161 PolarHBondContact O-N 3.13Å; G161-I163 VanDerWaalsContact C-N 3.35Å; G161-E164 PolarHBondContact O-N 3.14Å; G161-H165 WeakPolarHBondContact O-CB 3.25Å; G161-H165 PolarHBondContact O-CD2 3.39Å; G161-H165 PolarHBondContact O-N 2.81Å
162V92Very high90.5Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-71.1-28.3176.5175.20000112.7L149 M153 G158 M159 A160 I168 L169 F194L149-V162 HydrophobicContact CD1-CG2 3.91Å; M153-V162 HydrophobicContact CE-CG1 4.32Å; M153-V162 HydrophobicContact CG-CG2 3.93Å; M153-V162 HydrophobicContact SD-CG1 4.44Å; M153-V162 HydrophobicContact SD-CG2 4.48Å; G158-V162 WeakPolarHBondContact O-CG2 3.49Å; G158-V162 PolarHBondContact O-N 2.65Å; G158-V162 VanDerWaalsContact O-N 3.14Å; M159-V162 PolarHBondContact O-N 2.76Å; M159-V162 VanDerWaalsContact O-N 3.11Å; A160-V162 VanDerWaalsContact C-N 3.32Å; A160-V162 PolarHBondContact O-N 2.92Å; V162-I168 HydrophobicContact CG1-CG2 4.01Å; V162-I168 HydrophobicContact CG2-CD1 3.98Å; V162-L169 HydrophobicContact CG1-CD2 4.26Å; V162-F194 HydrophobicContact CG1-CD2 3.86Å; V162-F194 HydrophobicContact CG1-CE2 4.13Å
163I90.1Very high90.6Very high37 Ų3728.4 Ų28.419%0.1915%0.145CC..Hα-helixtrans-68.9-40.9171.4-70.4165.8000110.7M159 A160 G161 F194 Y197 I204M159-I163 HydrophobicContact CG-CD1 4.14Å; M159-I163 WeakPolarHBondContact O-CG1 3.16Å; M159-I163 PolarHBondContact O-N 3.27Å; A160-I163 WeakPolarHBondContact O-CB 3.31Å; A160-I163 PolarHBondContact O-N 2.87Å; A160-I163 VanDerWaalsContact O-N 3.09Å; G161-I163 VanDerWaalsContact C-N 3.35Å; I163-F194 HydrophobicContact CB-CE2 4.36Å; I163-F194 HydrophobicContact CG1-CD2 4.49Å; I163-F194 HydrophobicContact CG1-CE2 3.58Å; I163-F194 HydrophobicContact CG1-CZ 4.2Å; I163-Y197 HydrophobicContact CD1-CD1 4.03Å; I163-Y197 HydrophobicContact CD1-CE1 3.91Å; I163-I204 HydrophobicContact CG2-CD1 3.79Å
164E86.2Confident90.7Very high106 Ų10629.4 Ų29.450%0.49515%0.153SC..Hα-helixtrans-82.5-22.6-177.7-68173.1-175.100113.3A160 G161 P166 Q436A160-E164 WeakPolarHBondContact O-CG 3.5Å; A160-E164 PolarHBondContact O-N 3.5Å; G161-E164 PolarHBondContact O-N 3.14Å; E164-P166 WeakPolarHBondContact O-CD 3.3Å; E164-Q436 PolarHBondContact OE1-NE2 3.37Å
165H86.3Confident91Very high39 Ų3926.9 Ų26.918%0.18114%0.14CC..  trans-100.985.2175.6-75.1-109000113.4L127 D128 G161 N167 I168L127-H165 HydrophobicContact CD1-CB 4.38Å; D128-H165 IonicContact OD1-ND1 3.13Å; D128-H165 PolarHBondContact OD1-ND1 3.23Å; D128-H165 IonicContact OD2-CE1 3.41Å; D128-H165 PolarHBondContact OD2-CE1 2.63Å; D128-H165 IonicContact OD2-ND1 3.84Å; D128-H165 PolarHBondContact OD2-ND1 2.83Å; G161-H165 WeakPolarHBondContact O-CB 3.25Å; G161-H165 PolarHBondContact O-CD2 3.39Å; G161-H165 PolarHBondContact O-N 2.81Å; H165-N167 PolarHBondContact O-N 3.45Å; H165-I168 HydrophobicContact CB-CD1 4.49Å; H165-I168 PolarHBondContact O-N 2.86Å; H165-I168 VanDerWaalsContact O-N 3.11Å
166P82.5Confident91.2Very high19 Ų1924.9 Ų24.912%0.12313%0.132CC..Hα-helixtrans-63.4-14.5179.527.6-37.4000114.1E164 I168 L169 R170 L348E164-P166 WeakPolarHBondContact O-CD 3.3Å; P166-I168 VanDerWaalsContact C-N 3.28Å; P166-I168 PolarHBondContact O-N 3.21Å; P166-L169 PolarHBondContact O-N 3.37Å; P166-R170 WeakPolarHBondContact O-CG 3.35Å; P166-R170 PolarHBondContact O-N 2.86Å; P166-R170 VanDerWaalsContact O-N 3.09Å; P166-L348 HydrophobicContact CG-CD2 4.27Å
167N90.3Very high91.3Very high70 Ų7026.8 Ų26.837%0.37414%0.144SC..Hα-helixtrans-62.4-33.9174.3-67.7-22.2000112.5H165 R170 W171H165-N167 PolarHBondContact O-N 3.45Å; N167-R170 PolarHBondContact OD1-NH1 3.48Å; N167-W171 WeakPolarHBondContact O-CB 3.27Å; N167-W171 PolarHBondContact O-N 3.34Å
168I94.1Very high91.5Very high2 Ų224.7 Ų24.71%0.0114%0.135CC..Hα-helixtrans-64.8-44.9175.3-74.6175.7000110.6L127 V131 L149 V162 H165 P166 R170 W171 L172L127-I168 HydrophobicContact CB-CD1 3.81Å; L127-I168 HydrophobicContact CD1-CD1 3.97Å; L127-I168 HydrophobicContact CD2-CD1 3.8Å; L127-I168 HydrophobicContact CG-CD1 4.05Å; V131-I168 HydrophobicContact CG2-CB 4.42Å; V131-I168 HydrophobicContact CG2-CG1 3.49Å; V131-I168 VanDerWaalsContact CG2-CG1 3.49Å; L149-I168 HydrophobicContact CD1-CD1 4.11Å; L149-I168 HydrophobicContact CD1-CG2 4.42Å; L149-I168 HydrophobicContact CD2-CG2 3.85Å; V162-I168 HydrophobicContact CG1-CG2 4.01Å; V162-I168 HydrophobicContact CG2-CD1 3.98Å; H165-I168 HydrophobicContact CB-CD1 4.49Å; H165-I168 PolarHBondContact O-N 2.86Å; H165-I168 VanDerWaalsContact O-N 3.11Å; P166-I168 VanDerWaalsContact C-N 3.28Å; P166-I168 PolarHBondContact O-N 3.21Å; I168-R170 PolarHBondContact O-N 3.48Å; I168-W171 PolarHBondContact O-N 3.21Å; I168-L172 HydrophobicContact CG2-CD1 3.81Å; I168-L172 HydrophobicContact CG2-CG 4.18Å; I168-L172 WeakPolarHBondContact O-CB 3.47Å; I168-L172 VanDerWaalsContact O-CG 3.3Å; I168-L172 WeakPolarHBondContact O-CG 3.19Å; I168-L172 PolarHBondContact O-N 3.02Å
169L93.3Very high91.4Very high1 Ų134.2 Ų34.21%0.00518%0.176CC..Hα-helixtrans-64.9-42.2-179.4-56.6176000111.5V162 P166 Y173 F194 I204V162-L169 HydrophobicContact CG1-CD2 4.26Å; P166-L169 PolarHBondContact O-N 3.37Å; L169-Y173 VanDerWaalsContact O-CB 3.31Å; L169-Y173 WeakPolarHBondContact O-CB 3.46Å; L169-Y173 PolarHBondContact O-N 2.98Å; L169-F194 HydrophobicContact CD1-CD1 4.25Å; L169-F194 HydrophobicContact CD1-CE1 3.53Å; L169-F194 HydrophobicContact CD1-CE2 4.12Å; L169-F194 HydrophobicContact CD1-CZ 3.47Å; L169-F194 VanDerWaalsContact CD1-CZ 3.47Å; L169-F194 HydrophobicContact CD2-CB 4.38Å; L169-F194 HydrophobicContact CD2-CD1 3.64Å; L169-F194 HydrophobicContact CD2-CD2 3.84Å; L169-F194 HydrophobicContact CD2-CE1 3.8Å; L169-F194 HydrophobicContact CD2-CE2 3.97Å; L169-F194 HydrophobicContact CD2-CG 3.67Å; L169-F194 HydrophobicContact CD2-CZ 3.97Å; L169-F194 HydrophobicContact CG-CE1 4.32Å; L169-F194 HydrophobicContact CG-CZ 4.32Å; L169-I204 HydrophobicContact CD1-CG2 3.74Å
170R93.6Very high91.4Very high49 Ų4939.5 Ų39.519%0.18520%0.199CC..Hα-helixtrans-60.9-42.6172.8-67.5168.5-170.6143.80.8111.9P166 N167 I168 S174 Y212P166-R170 WeakPolarHBondContact O-CG 3.35Å; P166-R170 PolarHBondContact O-N 2.86Å; P166-R170 VanDerWaalsContact O-N 3.09Å; N167-R170 PolarHBondContact OD1-NH1 3.48Å; I168-R170 PolarHBondContact O-N 3.48Å; R170-S174 PolarHBondContact O-N 2.88Å; R170-Y212 HydrophobicContact CB-CD2 4.21Å
171W94.5Very high91.4Very high11 Ų1142.5 Ų42.54%0.04220%0.204CC..Hα-helixtrans-65.8-50.9177179.364.2000111.8V131 S135 Q142 I145 L146 L149 N167 I168 Y173 S174 L175V131-W171 HydrophobicContact CG1-CB 4Å; V131-W171 HydrophobicContact CG1-CG 4.12Å; V131-W171 HydrophobicContact CG2-CB 4.43Å; V131-W171 HydrophobicContact CG2-CE3 4.45Å; S135-W171 PolarHBondContact OG-NE1 2.66Å; Q142-W171 HydrophobicContact CG-CZ2 4.47Å; I145-W171 HydrophobicContact CB-CH2 4.29Å; I145-W171 HydrophobicContact CG2-CH2 3.59Å; I145-W171 HydrophobicContact CG2-CZ3 4.01Å; L146-W171 HydrophobicContact CD2-CH2 3.98Å; L146-W171 HydrophobicContact CD2-CZ3 3.84Å; L146-W171 HydrophobicContact CG-CH2 4.2Å; L149-W171 HydrophobicContact CD2-CZ3 4.3Å; N167-W171 WeakPolarHBondContact O-CB 3.27Å; N167-W171 PolarHBondContact O-N 3.34Å; I168-W171 PolarHBondContact O-N 3.21Å; W171-Y173 VanDerWaalsContact C-N 3.28Å; W171-Y173 PolarHBondContact O-N 3.03Å; W171-S174 WeakPolarHBondContact O-CB 3.45Å; W171-S174 PolarHBondContact O-N 3.41Å; W171-S174 PolarHBondContact O-OG 2.67Å; W171-L175 HydrophobicContact CD2-CD1 4.14Å; W171-L175 HydrophobicContact CE3-CD1 4.35Å; W171-L175 HydrophobicContact CH2-CD1 3.97Å; W171-L175 HydrophobicContact CZ2-CD1 3.74Å; W171-L175 HydrophobicContact CZ2-CD2 4.44Å; W171-L175 HydrophobicContact CZ2-CG 4.49Å; W171-L175 HydrophobicContact CZ3-CD1 4.27Å; W171-L175 WeakPolarHBondContact O-CG 3.23Å; W171-L175 PolarHBondContact O-N 2.78Å
172L96Very high91.3Very high0 Ų044.3 Ų44.30%021%0.213CC..Hα-helixtrans-55.6-41.5175.5-71.5175.3000112.2L146 L149 I168 L175 A187 L190 Q191L146-L172 HydrophobicContact CD2-CD2 3.34Å; L149-L172 HydrophobicContact CD2-CD1 4.37Å; L149-L172 HydrophobicContact CD2-CD2 4.18Å; I168-L172 HydrophobicContact CG2-CD1 3.81Å; I168-L172 HydrophobicContact CG2-CG 4.18Å; I168-L172 WeakPolarHBondContact O-CB 3.47Å; I168-L172 VanDerWaalsContact O-CG 3.3Å; I168-L172 WeakPolarHBondContact O-CG 3.19Å; I168-L172 PolarHBondContact O-N 3.02Å; L172-L175 PolarHBondContact O-N 3.09Å; L172-A187 HydrophobicContact CD2-CB 4.49Å; L172-L190 HydrophobicContact CD1-CB 4.1Å; L172-L190 HydrophobicContact CD2-CB 4.29Å; L172-L190 HydrophobicContact CD2-CD1 4.01Å; L172-Q191 HydrophobicContact CB-CG 4Å; L172-Q191 HydrophobicContact CD1-CG 4.46Å; L172-Q191 PolarHBondContact O-NE2 3.03Å; L172-Q191 VanDerWaalsContact O-NE2 3.1Å
173Y95.1Very high91.4Very high1 Ų144.4 Ų44.40%0.00421%0.214CC..Hα-helixtrans-66.3-40175.1-177.4-98.8000112L169 W171 L175 L176 F205 V209 Y212 H213 W223 Y225L169-Y173 VanDerWaalsContact O-CB 3.31Å; L169-Y173 WeakPolarHBondContact O-CB 3.46Å; L169-Y173 PolarHBondContact O-N 2.98Å; W171-Y173 VanDerWaalsContact C-N 3.28Å; W171-Y173 PolarHBondContact O-N 3.03Å; Y173-L175 VanDerWaalsContact C-N 3.29Å; Y173-L175 PolarHBondContact O-N 3.02Å; Y173-L176 HydrophobicContact CD2-CD1 3.65Å; Y173-L176 HydrophobicContact CE2-CD1 3.99Å; Y173-L176 HydrophobicContact CG-CD1 4.39Å; Y173-L176 VanDerWaalsContact O-CB 3.24Å; Y173-L176 WeakPolarHBondContact O-CB 3.37Å; Y173-L176 VanDerWaalsContact O-CG 3.23Å; Y173-L176 WeakPolarHBondContact O-CG 3.35Å; Y173-L176 PolarHBondContact O-N 3.43Å; Y173-L176 VanDerWaalsContact O-N 3.16Å; Y173-F205 HydrophobicContact CD2-CE2 4.46Å; Y173-F205 HydrophobicContact CD2-CZ 4.47Å; Y173-V209 HydrophobicContact CD2-CG2 3.69Å; Y173-V209 HydrophobicContact CE1-CG1 4.23Å; Y173-V209 HydrophobicContact CE2-CG1 4.03Å; Y173-V209 HydrophobicContact CE2-CG2 3.75Å; Y173-V209 HydrophobicContact CG-CG2 4.13Å; Y173-Y212 AromaticContact CD1-CD1 3.73Å; Y173-Y212 HydrophobicContact CD1-CD1 3.73Å; Y173-Y212 HydrophobicContact CD1-CE1 4.18Å; Y173-Y212 HydrophobicContact CD1-CG 4.05Å; Y173-Y212 AromaticContact CE1-CD1 3.78Å; Y173-Y212 HydrophobicContact CE1-CD1 3.78Å; Y173-Y212 HydrophobicContact CE1-CE1 4.23Å; Y173-Y212 HydrophobicContact CE1-CG 4.47Å; Y173-H213 AromaticContact CE1-CD2 3.86Å; Y173-W223 WeakPolarHBondContact OH-CA 3.03Å; Y173-W223 PolarHBondContact OH-N 3.15Å; Y173-Y225 AromaticContact CD1-CD2 3.75Å; Y173-Y225 HydrophobicContact CD1-CD2 3.75Å; Y173-Y225 HydrophobicContact CD1-CE2 4.08Å; Y173-Y225 AromaticContact CE1-CD2 3.28Å; Y173-Y225 HydrophobicContact CE1-CD2 3.28Å; Y173-Y225 AromaticContact CE1-CE2 3.75Å; Y173-Y225 HydrophobicContact CE1-CE2 3.75Å; Y173-Y225 AromaticContact CE1-CG 3.98Å; Y173-Y225 HydrophobicContact CE1-CG 3.98Å; Y173-Y225 HydrophobicContact CE2-CD2 4.39Å; Y173-Y225 HydrophobicContact CG-CD2 4.47Å; Y173-Y225 AromaticContact CZ-CD2 3.66Å; Y173-Y225 AromaticContact CZ-CG 3.93Å; Y173-Y225 WeakPolarHBondContact O-CD2 3.31Å
174S93.7Very high91.6Very high27 Ų2743 Ų4319%0.18921%0.207CC..Hα-helixtrans-61-36.4175.779.20000113.1R170 W171 L176 T177 Y212R170-S174 PolarHBondContact O-N 2.88Å; W171-S174 WeakPolarHBondContact O-CB 3.45Å; W171-S174 PolarHBondContact O-N 3.41Å; W171-S174 PolarHBondContact O-OG 2.67Å; S174-L176 PolarHBondContact O-N 2.9Å; S174-L176 VanDerWaalsContact O-N 3.11Å; S174-T177 PolarHBondContact O-N 2.85Å; S174-T177 VanDerWaalsContact O-N 3.11Å; S174-T177 PolarHBondContact O-OG1 2.86Å; S174-Y212 WeakPolarHBondContact CB-OH 3.48Å
175L94.7Very high91.9Very high9 Ų938.5 Ų38.55%0.04719%0.186CC..G310 helixtrans-64.5-14178.6-66.9178.7000113.7L146 W171 L172 Y173 T177 S178 V183 A187L146-L175 HydrophobicContact CD1-CD1 4.07Å; L146-L175 HydrophobicContact CD2-CD1 3.94Å; L146-L175 HydrophobicContact CG-CD1 4.39Å; W171-L175 HydrophobicContact CD2-CD1 4.14Å; W171-L175 HydrophobicContact CE3-CD1 4.35Å; W171-L175 HydrophobicContact CH2-CD1 3.97Å; W171-L175 HydrophobicContact CZ2-CD1 3.74Å; W171-L175 HydrophobicContact CZ2-CD2 4.44Å; W171-L175 HydrophobicContact CZ2-CG 4.49Å; W171-L175 HydrophobicContact CZ3-CD1 4.27Å; W171-L175 WeakPolarHBondContact O-CG 3.23Å; W171-L175 PolarHBondContact O-N 2.78Å; L172-L175 PolarHBondContact O-N 3.09Å; Y173-L175 VanDerWaalsContact C-N 3.29Å; Y173-L175 PolarHBondContact O-N 3.02Å; L175-T177 PolarHBondContact O-N 3.05Å; L175-S178 WeakPolarHBondContact O-CB 3.44Å; L175-S178 PolarHBondContact O-N 3.14Å; L175-V183 HydrophobicContact CB-CG1 4.16Å; L175-V183 HydrophobicContact CD1-CG1 4.14Å; L175-V183 HydrophobicContact CD2-CG1 4.04Å; L175-V183 HydrophobicContact CG-CG1 4.35Å; L175-A187 HydrophobicContact CB-CB 3.91Å; L175-A187 HydrophobicContact CD1-CB 4.4Å
176L94.3Very high92.2Very high8 Ų837.4 Ų37.44%0.04218%0.182CC..G310 helixtrans-64.5-18.1172.6-58.7-178.9000113.1Y173 S174 V184 A187 L188 L226 I229Y173-L176 HydrophobicContact CD2-CD1 3.65Å; Y173-L176 HydrophobicContact CE2-CD1 3.99Å; Y173-L176 HydrophobicContact CG-CD1 4.39Å; Y173-L176 VanDerWaalsContact O-CB 3.24Å; Y173-L176 WeakPolarHBondContact O-CB 3.37Å; Y173-L176 VanDerWaalsContact O-CG 3.23Å; Y173-L176 WeakPolarHBondContact O-CG 3.35Å; Y173-L176 PolarHBondContact O-N 3.43Å; Y173-L176 VanDerWaalsContact O-N 3.16Å; S174-L176 PolarHBondContact O-N 2.9Å; S174-L176 VanDerWaalsContact O-N 3.11Å; L176-V184 HydrophobicContact CD2-CG1 4.34Å; L176-A187 HydrophobicContact CD2-CB 4.29Å; L176-L188 HydrophobicContact CD1-CD2 4.35Å; L176-L188 HydrophobicContact CD2-CD2 3.48Å; L176-L188 VanDerWaalsContact CD2-CD2 3.48Å; L176-L188 HydrophobicContact CD2-CG 3.55Å; L176-L226 HydrophobicContact CD1-CD2 3.72Å; L176-L226 HydrophobicContact CD1-CG 4.29Å; L176-I229 HydrophobicContact CB-CD1 4.22Å; L176-I229 HydrophobicContact CD2-CD1 4.45Å
177T91.8Very high92.9Very high82 Ų8236.5 Ų36.550%0.50318%0.176SC..G310 helixtrans-87.4-2171.963.10000114S174 L175 K179 Y225S174-T177 PolarHBondContact O-N 2.85Å; S174-T177 VanDerWaalsContact O-N 3.11Å; S174-T177 PolarHBondContact O-OG1 2.86Å; L175-T177 PolarHBondContact O-N 3.05Å; T177-K179 PolarHBondContact O-N 3.39Å; T177-Y225 HydrophobicContact CG2-CD1 3.58Å; T177-Y225 HydrophobicContact CG2-CD2 3.68Å; T177-Y225 HydrophobicContact CG2-CE1 3.37Å; T177-Y225 HydrophobicContact CG2-CE2 3.49Å; T177-Y225 VanDerWaalsContact CG2-CE2 3.49Å; T177-Y225 HydrophobicContact CG2-CG 3.71Å
178S91.3Very high93.1Very high25 Ų2533.1 Ų33.118%0.17516%0.158CC..  trans-62.8136.1-177.8-174.10000111.4L175 F180 V184L175-S178 WeakPolarHBondContact O-CB 3.44Å; L175-S178 PolarHBondContact O-N 3.14Å; S178-F180 PolarHBondContact O-N 3.28Å; S178-F180 PolarHBondContact OG-N 3.07Å; S178-V184 WeakPolarHBondContact O-CG2 3.35Å
179K89.7Confident93.1Very high200 Ų20033.5 Ų33.587%0.8716%0.159SC*.SBendtrans-65.2-15.5171.9-63179.3-177.7175.70112.5T177T177-K179 PolarHBondContact O-N 3.39Å
180F90.9Very high93.2Very high111 Ų11133.8 Ų33.849%0.48716%0.161SC..  trans-96.3103.1-170.6-59.3-70.7000110.9Q139 S178 L182 V183 V184Q139-F180 HydrophobicContact CB-CB 3.84Å; Q139-F180 HydrophobicContact CB-CD1 4.17Å; Q139-F180 HydrophobicContact CB-CD2 3.53Å; Q139-F180 HydrophobicContact CB-CE2 4.08Å; Q139-F180 HydrophobicContact CB-CG 3.57Å; Q139-F180 HydrophobicContact CG-CB 4.17Å; Q139-F180 HydrophobicContact CG-CD1 3.53Å; Q139-F180 HydrophobicContact CG-CD2 3.46Å; Q139-F180 VanDerWaalsContact CG-CD2 3.46Å; Q139-F180 HydrophobicContact CG-CE1 3.63Å; Q139-F180 HydrophobicContact CG-CE2 3.57Å; Q139-F180 HydrophobicContact CG-CG 3.42Å; Q139-F180 VanDerWaalsContact CG-CG 3.42Å; Q139-F180 HydrophobicContact CG-CZ 3.64Å; S178-F180 PolarHBondContact O-N 3.28Å; S178-F180 PolarHBondContact OG-N 3.07Å; F180-L182 VanDerWaalsContact C-N 3.27Å; F180-L182 PolarHBondContact O-N 3.42Å; F180-L182 VanDerWaalsContact O-N 3.09Å; F180-V183 HydrophobicContact CB-CB 4.34Å; F180-V183 HydrophobicContact CB-CG2 3.96Å; F180-V183 WeakPolarHBondContact O-CA 3.29Å; F180-V183 WeakPolarHBondContact O-CB 3.35Å; F180-V183 PolarHBondContact O-N 3.21Å; F180-V184 PolarHBondContact O-N 2.88Å
181R89Confident93.2Very high95 Ų9531.5 Ų31.536%0.35815%0.152SC..Hα-helixtrans-38.4-51-178.2170166.2-169.963.614.6114.2V183 V184 K185 D236 E238 L239R181-V183 VanDerWaalsContact C-N 3.32Å; R181-V183 PolarHBondContact O-N 3.48Å; R181-V184 PolarHBondContact O-N 2.62Å; R181-K185 WeakPolarHBondContact O-CB 3.23Å; R181-K185 PolarHBondContact O-N 3.09Å; R181-D236 VanDerWaalsContact CZ-CG 3.41Å; R181-D236 IonicContact CZ-OD2 3.77Å; R181-D236 IonicContact NE-OD2 3.13Å; R181-D236 IonicContact NH1-OD2 2.66Å; R181-D236 IonicContact NH2-OD1 3.23Å; R181-D236 PolarHBondContact NH2-OD1 3.1Å; R181-D236 IonicContact NH2-OD2 2.69Å; R181-D236 PolarHBondContact NH2-OD2 2.7Å; R181-E238 IonicContact NH2-OE2 3.38Å; R181-E238 PolarHBondContact NH2-OE2 3.28Å; R181-L239 VanDerWaalsContact NH1-CD1 3.27Å
182L88.5Confident93.2Very high38 Ų3831.1 Ų31.120%0.19915%0.151CC..Hα-helixtrans-70.4-28.5-174.4-172.952.8000112.8N143 F180 T186 M1397N143-L182 WeakPolarHBondContact ND2-CD2 3.39Å; F180-L182 VanDerWaalsContact C-N 3.27Å; F180-L182 PolarHBondContact O-N 3.42Å; F180-L182 VanDerWaalsContact O-N 3.09Å; L182-T186 WeakPolarHBondContact O-CB 3.38Å; L182-T186 PolarHBondContact O-N 2.91Å; L182-T186 PolarHBondContact O-OG1 2.67Å; L182-M1397 HydrophobicContact CD2-SD 4.07Å
183V93.2Very high93Very high2 Ų232.3 Ų32.31%0.01216%0.157CC..Hα-helixtrans-69.5-46172.9-179.20000109.7Q139 L146 L175 F180 R181 T186 A187Q139-V183 HydrophobicContact CB-CG2 3.82Å; L146-V183 HydrophobicContact CD1-CG1 3.99Å; L175-V183 HydrophobicContact CB-CG1 4.16Å; L175-V183 HydrophobicContact CD1-CG1 4.14Å; L175-V183 HydrophobicContact CD2-CG1 4.04Å; L175-V183 HydrophobicContact CG-CG1 4.35Å; F180-V183 HydrophobicContact CB-CB 4.34Å; F180-V183 HydrophobicContact CB-CG2 3.96Å; F180-V183 WeakPolarHBondContact O-CA 3.29Å; F180-V183 WeakPolarHBondContact O-CB 3.35Å; F180-V183 PolarHBondContact O-N 3.21Å; R181-V183 VanDerWaalsContact C-N 3.32Å; R181-V183 PolarHBondContact O-N 3.48Å; V183-T186 PolarHBondContact O-N 2.65Å; V183-A187 VanDerWaalsContact O-CB 3.26Å; V183-A187 WeakPolarHBondContact O-CB 3.34Å; V183-A187 PolarHBondContact O-N 2.8Å
184V94.3Very high93Very high7 Ų732.2 Ų32.24%0.04216%0.157CC..Hα-helixtrans-63.4-47175.9-175.80000111.4L176 S178 F180 R181 T186 A187 L188 I229 L239L176-V184 HydrophobicContact CD2-CG1 4.34Å; S178-V184 WeakPolarHBondContact O-CG2 3.35Å; F180-V184 PolarHBondContact O-N 2.88Å; R181-V184 PolarHBondContact O-N 2.62Å; V184-T186 VanDerWaalsContact C-N 3.32Å; V184-T186 PolarHBondContact O-N 2.76Å; V184-A187 PolarHBondContact O-N 2.88Å; V184-L188 HydrophobicContact CG1-CD1 4.17Å; V184-L188 HydrophobicContact CG1-CG 4.49Å; V184-L188 WeakPolarHBondContact O-CG 3.23Å; V184-L188 PolarHBondContact O-N 3.37Å; V184-I229 HydrophobicContact CG1-CD1 3.95Å; V184-L239 HydrophobicContact CG1-CD1 4.33Å; V184-L239 HydrophobicContact CG1-CD2 4.2Å
185K93Very high92.9Very high13 Ų1331.1 Ų31.16%0.05715%0.149CC..Hα-helixtrans-53.5-49.4175.4178.3164.8176.9174.30110.5R181 K189 E238 L239 Y242 D1405R181-K185 WeakPolarHBondContact O-CB 3.23Å; R181-K185 PolarHBondContact O-N 3.09Å; K185-K189 HydrophobicContact CG-CD 3.87Å; K185-K189 WeakPolarHBondContact O-CB 3.42Å; K185-K189 VanDerWaalsContact O-CD 3.24Å; K185-K189 WeakPolarHBondContact O-CD 3.27Å; K185-K189 WeakPolarHBondContact O-CG 3.49Å; K185-K189 PolarHBondContact O-N 3.2Å; K185-E238 WeakPolarHBondContact CD-OE2 3.2Å; K185-E238 WeakPolarHBondContact CE-OE2 3.38Å; K185-E238 IonicContact NZ-OE1 3.4Å; K185-E238 PolarHBondContact NZ-OE1 3.16Å; K185-E238 IonicContact NZ-OE2 2.99Å; K185-E238 PolarHBondContact NZ-OE2 2.95Å; K185-L239 HydrophobicContact CB-CD2 3.93Å; K185-Y242 HydrophobicContact CG-CE2 4.09Å; K185-D1405 IonicContact NZ-OD1 2.99Å; K185-D1405 IonicContact NZ-OD2 3.04Å
186T93.1Very high92.6Very high15 Ų1533.7 Ų33.79%0.09216%0.163CC..Hα-helixtrans-72-38.1-178.4-48.20000112.4L146 L182 V183 V184 K189 L190L146-T186 HydrophobicContact CB-CG2 3.73Å; L146-T186 HydrophobicContact CD1-CG2 4.32Å; L182-T186 WeakPolarHBondContact O-CB 3.38Å; L182-T186 PolarHBondContact O-N 2.91Å; L182-T186 PolarHBondContact O-OG1 2.67Å; V183-T186 PolarHBondContact O-N 2.65Å; V184-T186 VanDerWaalsContact C-N 3.32Å; V184-T186 PolarHBondContact O-N 2.76Å; T186-K189 PolarHBondContact O-N 3.12Å; T186-L190 WeakPolarHBondContact O-CG 3.49Å; T186-L190 PolarHBondContact O-N 3.31Å
187A95.8Very high92.4Very high0 Ų038.3 Ų38.30%018%0.181CC..Hα-helixtrans-65.8-42.2178.200000112.9L172 L175 L176 V183 V184 K189 L190 Q191L172-A187 HydrophobicContact CD2-CB 4.49Å; L175-A187 HydrophobicContact CB-CB 3.91Å; L175-A187 HydrophobicContact CD1-CB 4.4Å; L176-A187 HydrophobicContact CD2-CB 4.29Å; V183-A187 VanDerWaalsContact O-CB 3.26Å; V183-A187 WeakPolarHBondContact O-CB 3.34Å; V183-A187 PolarHBondContact O-N 2.8Å; V184-A187 PolarHBondContact O-N 2.88Å; A187-K189 VanDerWaalsContact C-N 3.34Å; A187-L190 PolarHBondContact O-N 2.92Å; A187-Q191 PolarHBondContact O-N 3.47Å; A187-Q191 PolarHBondContact O-NE2 2.88Å
188L95.3Very high92Very high0 Ų036.2 Ų36.20%017%0.172CC..Hα-helixtrans-59.6-45.7171.9-75.5171000111.2L176 V184 L190 Q191 L192 L226 I229 L239 A243 L246L176-L188 HydrophobicContact CD1-CD2 4.35Å; L176-L188 HydrophobicContact CD2-CD2 3.48Å; L176-L188 VanDerWaalsContact CD2-CD2 3.48Å; L176-L188 HydrophobicContact CD2-CG 3.55Å; V184-L188 HydrophobicContact CG1-CD1 4.17Å; V184-L188 HydrophobicContact CG1-CG 4.49Å; V184-L188 WeakPolarHBondContact O-CG 3.23Å; V184-L188 PolarHBondContact O-N 3.37Å; L188-L190 PolarHBondContact O-N 3.05Å; L188-Q191 PolarHBondContact O-N 3.08Å; L188-L192 WeakPolarHBondContact O-CB 3.14Å; L188-L192 PolarHBondContact O-N 3.1Å; L188-L226 HydrophobicContact CD2-CD2 3.62Å; L188-I229 HydrophobicContact CD1-CD1 4.43Å; L188-L239 HydrophobicContact CD1-CD2 4.01Å; L188-A243 HydrophobicContact CD2-CB 4.45Å; L188-L246 HydrophobicContact CD2-CD2 4.02Å
189K93.9Very high91.5Very high9 Ų940.5 Ų40.54%0.03919%0.189CC..Hα-helixtrans-61.9-38.6-179.5-78.9167.9131.7-1530112.9K185 T186 A187 L193 Y242 D1405 L1408K185-K189 HydrophobicContact CG-CD 3.87Å; K185-K189 WeakPolarHBondContact O-CB 3.42Å; K185-K189 VanDerWaalsContact O-CD 3.24Å; K185-K189 WeakPolarHBondContact O-CD 3.27Å; K185-K189 WeakPolarHBondContact O-CG 3.49Å; K185-K189 PolarHBondContact O-N 3.2Å; T186-K189 PolarHBondContact O-N 3.12Å; A187-K189 VanDerWaalsContact C-N 3.34Å; K189-L193 PolarHBondContact O-N 3.47Å; K189-L193 VanDerWaalsContact O-N 3.08Å; K189-Y242 HydrophobicContact CD-CD2 4.34Å; K189-Y242 HydrophobicContact CD-CE2 3.72Å; K189-Y242 WeakPolarHBondContact CE-OH 3.33Å; K189-Y242 HydrophobicContact CG-CD2 3.94Å; K189-Y242 HydrophobicContact CG-CE2 3.74Å; K189-D1405 IonicContact NZ-OD1 3.06Å; K189-D1405 PolarHBondContact NZ-OD1 2.74Å; K189-L1408 HydrophobicContact CB-CD1 3.72Å; K189-L1408 HydrophobicContact CB-CD2 3.63Å; K189-L1408 HydrophobicContact CB-CG 4.26Å; K189-L1408 HydrophobicContact CD-CD1 3.76Å; K189-L1408 HydrophobicContact CD-CG 4.48Å; K189-L1408 HydrophobicContact CG-CD1 4Å; K189-L1408 HydrophobicContact CG-CD2 3.92Å; K189-L1408 HydrophobicContact CG-CG 4.4Å
190L95.2Very high91.1Very high8 Ų834.6 Ų34.64%0.04217%0.165CC..Hα-helixtrans-73.2-37.9174.1-65.2-177.2000113L146 L149 M153 L172 T186 A187 L188 L192 L193 F194L146-L190 HydrophobicContact CB-CD1 4.27Å; L146-L190 HydrophobicContact CD2-CD1 3.79Å; L149-L190 HydrophobicContact CB-CD1 4.42Å; L149-L190 HydrophobicContact CD2-CD1 4.03Å; L149-L190 HydrophobicContact CG-CD1 4.2Å; M153-L190 HydrophobicContact SD-CB 4.39Å; M153-L190 HydrophobicContact SD-CD2 4.17Å; L172-L190 HydrophobicContact CD1-CB 4.1Å; L172-L190 HydrophobicContact CD2-CB 4.29Å; L172-L190 HydrophobicContact CD2-CD1 4.01Å; T186-L190 WeakPolarHBondContact O-CG 3.49Å; T186-L190 PolarHBondContact O-N 3.31Å; A187-L190 PolarHBondContact O-N 2.92Å; L188-L190 PolarHBondContact O-N 3.05Å; L190-L192 VanDerWaalsContact C-N 3.29Å; L190-L192 PolarHBondContact O-N 2.79Å; L190-L193 HydrophobicContact CD2-CD2 4.45Å; L190-L193 PolarHBondContact O-N 3.03Å; L190-F194 PolarHBondContact O-N 3.32Å
191Q95.1Very high91Very high0 Ų029.5 Ų29.50%014%0.143CC..Hα-helixtrans-62-38.5172.4-79.116289.600111.6L172 A187 L188 F194 V195 F205 L246L172-Q191 HydrophobicContact CB-CG 4Å; L172-Q191 HydrophobicContact CD1-CG 4.46Å; L172-Q191 PolarHBondContact O-NE2 3.03Å; L172-Q191 VanDerWaalsContact O-NE2 3.1Å; A187-Q191 PolarHBondContact O-N 3.47Å; A187-Q191 PolarHBondContact O-NE2 2.88Å; L188-Q191 PolarHBondContact O-N 3.08Å; Q191-F194 PolarHBondContact O-N 2.94Å; Q191-V195 WeakPolarHBondContact O-CG2 3.39Å; Q191-V195 PolarHBondContact O-N 3.37Å; Q191-F205 HydrophobicContact CB-CE2 4.44Å; Q191-F205 HydrophobicContact CB-CZ 4.5Å; Q191-F205 HydrophobicContact CG-CE2 3.98Å; Q191-F205 HydrophobicContact CG-CZ 4.41Å; Q191-F205 VanDerWaalsContact OE1-CE2 3.27Å; Q191-L246 HydrophobicContact CB-CD1 4.14Å; Q191-L246 HydrophobicContact CB-CD2 3.8Å
192L93.9Very high91.1Very high3 Ų325 Ų252%0.01613%0.126CC..Hα-helixtrans-64.4-46.6174.5-164.372.2000111.4L188 L190 F194 V195 D196 T245 L246 K249 L1412L188-L192 WeakPolarHBondContact O-CB 3.14Å; L188-L192 PolarHBondContact O-N 3.1Å; L190-L192 VanDerWaalsContact C-N 3.29Å; L190-L192 PolarHBondContact O-N 2.79Å; L192-F194 VanDerWaalsContact C-N 3.27Å; L192-F194 PolarHBondContact O-N 3.41Å; L192-V195 PolarHBondContact O-N 3.04Å; L192-D196 VanDerWaalsContact O-CB 3.23Å; L192-D196 WeakPolarHBondContact O-CB 3.42Å; L192-D196 PolarHBondContact O-N 3.05Å; L192-T245 HydrophobicContact CD1-CG2 4.16Å; L192-T245 HydrophobicContact CD2-CG2 4.48Å; L192-L246 HydrophobicContact CD1-CB 4.17Å; L192-L246 HydrophobicContact CD1-CD1 4.23Å; L192-K249 HydrophobicContact CD1-CD 3.81Å; L192-K249 HydrophobicContact CD1-CG 4.24Å; L192-K249 HydrophobicContact CG-CD 4.45Å; L192-L1412 HydrophobicContact CD2-CD1 4.47Å; L192-L1412 HydrophobicContact CD2-CD2 3.57Å; L192-L1412 HydrophobicContact CD2-CG 3.79Å
193L92Very high91.1Very high25 Ų2523.7 Ų23.713%0.13112%0.119CC..Hα-helixtrans-58.2-37.5175.1179.864.7000112.5M153 M159 K189 L190 Y197M153-L193 HydrophobicContact CB-CD2 3.91Å; M153-L193 HydrophobicContact CE-CB 4.4Å; M153-L193 HydrophobicContact CE-CD2 4.18Å; M153-L193 HydrophobicContact CE-CG 4.26Å; M159-L193 HydrophobicContact CE-CG 4.16Å; K189-L193 PolarHBondContact O-N 3.47Å; K189-L193 VanDerWaalsContact O-N 3.08Å; L190-L193 HydrophobicContact CD2-CD2 4.45Å; L190-L193 PolarHBondContact O-N 3.03Å; L193-Y197 PolarHBondContact O-N 2.83Å
194F93.8Very high90.9Very high0 Ų025 Ų250%013%0.126CC..Hα-helixtrans-66.6-49.2176.5178.6-100.3000112.7M153 M159 V162 I163 L169 L190 Q191 L192 D196 Y197 N201 I204 F205M153-F194 HydrophobicContact CE-CB 3.94Å; M159-F194 HydrophobicContact SD-CD2 3.98Å; V162-F194 HydrophobicContact CG1-CD2 3.86Å; V162-F194 HydrophobicContact CG1-CE2 4.13Å; I163-F194 HydrophobicContact CB-CE2 4.36Å; I163-F194 HydrophobicContact CG1-CD2 4.49Å; I163-F194 HydrophobicContact CG1-CE2 3.58Å; I163-F194 HydrophobicContact CG1-CZ 4.2Å; L169-F194 HydrophobicContact CD1-CD1 4.25Å; L169-F194 HydrophobicContact CD1-CE1 3.53Å; L169-F194 HydrophobicContact CD1-CE2 4.12Å; L169-F194 HydrophobicContact CD1-CZ 3.47Å; L169-F194 VanDerWaalsContact CD1-CZ 3.47Å; L169-F194 HydrophobicContact CD2-CB 4.38Å; L169-F194 HydrophobicContact CD2-CD1 3.64Å; L169-F194 HydrophobicContact CD2-CD2 3.84Å; L169-F194 HydrophobicContact CD2-CE1 3.8Å; L169-F194 HydrophobicContact CD2-CE2 3.97Å; L169-F194 HydrophobicContact CD2-CG 3.67Å; L169-F194 HydrophobicContact CD2-CZ 3.97Å; L169-F194 HydrophobicContact CG-CE1 4.32Å; L169-F194 HydrophobicContact CG-CZ 4.32Å; L190-F194 PolarHBondContact O-N 3.32Å; Q191-F194 PolarHBondContact O-N 2.94Å; L192-F194 VanDerWaalsContact C-N 3.27Å; L192-F194 PolarHBondContact O-N 3.41Å; F194-D196 VanDerWaalsContact C-N 3.28Å; F194-D196 PolarHBondContact O-N 3.22Å; F194-Y197 PolarHBondContact O-N 3.3Å; F194-N201 HydrophobicContact CD1-CB 4.09Å; F194-N201 HydrophobicContact CE1-CB 3.7Å; F194-N201 WeakPolarHBondContact CE1-O 3.5Å; F194-N201 HydrophobicContact CE2-CB 4.5Å; F194-N201 HydrophobicContact CZ-CB 3.91Å; F194-N201 VanDerWaalsContact O-CB 3.29Å; F194-N201 WeakPolarHBondContact O-CB 3.05Å; F194-N201 PolarHBondContact O-ND2 3.06Å; F194-I204 HydrophobicContact CE1-CB 4.31Å; F194-I204 HydrophobicContact CZ-CB 4.18Å; F194-I204 HydrophobicContact CZ-CG2 4.13Å; F194-F205 HydrophobicContact CD1-CB 4.4Å; F194-F205 HydrophobicContact CE1-CB 4.26Å
195V91.8Very high90.9Very high3 Ų324.7 Ų24.72%0.01812%0.124CC..Hα-helixtrans-68-28.6-179.2173.10000112Q191 L192 A202 F205 L246 K249Q191-V195 WeakPolarHBondContact O-CG2 3.39Å; Q191-V195 PolarHBondContact O-N 3.37Å; L192-V195 PolarHBondContact O-N 3.04Å; V195-A202 HydrophobicContact CG1-CB 4.22Å; V195-F205 HydrophobicContact CG2-CB 3.95Å; V195-F205 HydrophobicContact CG2-CD1 3.73Å; V195-F205 HydrophobicContact CG2-CE1 4.47Å; V195-F205 HydrophobicContact CG2-CG 3.95Å; V195-L246 HydrophobicContact CB-CD1 4.48Å; V195-L246 HydrophobicContact CG2-CD1 4.08Å; V195-K249 HydrophobicContact CG1-CB 4.1Å
196D89.6Confident90.8Very high64 Ų6424.2 Ų24.234%0.34212%0.122SC..Hα-helixtrans-81.8-18.4-178.9-15436.6000114.2L192 F194 K249L192-D196 VanDerWaalsContact O-CB 3.23Å; L192-D196 WeakPolarHBondContact O-CB 3.42Å; L192-D196 PolarHBondContact O-N 3.05Å; F194-D196 VanDerWaalsContact C-N 3.28Å; F194-D196 PolarHBondContact O-N 3.22Å; D196-K249 HydrophobicContact CB-CD 4.41Å; D196-K249 IonicContact OD1-NZ 3.73Å; D196-K249 PolarHBondContact OD1-NZ 3.04Å; D196-K249 IonicContact OD2-NZ 3.36Å; D196-K249 PolarHBondContact OD2-NZ 2.99Å
197Y88.7Confident90.6Very high105 Ų10526 Ų2641%0.41213%0.129SC..Hα-helixtrans-69.4-34.4-177.2178.6-96.6000113.4M159 I163 L193 F194M159-Y197 HydrophobicContact CB-CE1 4.45Å; M159-Y197 HydrophobicContact CB-CE2 4.21Å; M159-Y197 HydrophobicContact CE-CD2 3.99Å; M159-Y197 HydrophobicContact CE-CG 3.98Å; M159-Y197 HydrophobicContact CG-CD1 3.57Å; M159-Y197 HydrophobicContact CG-CD2 3.78Å; M159-Y197 HydrophobicContact CG-CE1 3.58Å; M159-Y197 HydrophobicContact CG-CE2 3.79Å; M159-Y197 HydrophobicContact CG-CG 3.66Å; M159-Y197 HydrophobicContact SD-CD1 4.39Å; M159-Y197 HydrophobicContact SD-CG 4.2Å; I163-Y197 HydrophobicContact CD1-CD1 4.03Å; I163-Y197 HydrophobicContact CD1-CE1 3.91Å; L193-Y197 PolarHBondContact O-N 2.83Å; F194-Y197 PolarHBondContact O-N 3.3Å
198A83.7Confident90.4Very high38 Ų3826.2 Ų26.231%0.31413%0.13SC..  trans-156.4141.3176.900000111.3M200 N201A198-M200 PolarHBondContact O-N 3.17Å; A198-M200 VanDerWaalsContact O-N 3.11Å; A198-N201 WeakPolarHBondContact O-CB 3.24Å; A198-N201 PolarHBondContact O-N 3.16Å
199E81.3Confident90.2Very high114 Ų11426.2 Ų26.253%0.53313%0.13SC..THydrogen-bonded Turntrans-52.2-38.5-179.7-65.6173.5-157.200112.2N201 K422E199-N201 VanDerWaalsContact C-N 3.33Å; E199-N201 PolarHBondContact O-N 3.18Å; E199-K422 IonicContact OE1-NZ 2.84Å; E199-K422 PolarHBondContact OE1-NZ 3.37Å; E199-K422 IonicContact OE2-NZ 2.7Å; E199-K422 PolarHBondContact OE2-NZ 3.1Å
200M81.4Confident90Very high76 Ų7628.6 Ų28.637%0.37414%0.141SC..THydrogen-bonded Turntrans-70-22.3179.6-60.3-179.980.600114.4A198 A202 M203 L341A198-M200 PolarHBondContact O-N 3.17Å; A198-M200 VanDerWaalsContact O-N 3.11Å; M200-A202 PolarHBondContact O-N 3.3Å; M200-M203 PolarHBondContact O-N 3.5Å; M200-L341 HydrophobicContact CE-CB 3.61Å; M200-L341 HydrophobicContact CE-CD1 3.95Å; M200-L341 HydrophobicContact CE-CG 4Å
201N89.3Confident89.7Confident5 Ų528.8 Ų28.83%0.02714%0.144CC..Hα-helixtrans-63.5-26.9-179.5-75.67.4000111.9F194 A198 E199 M203 I204 F205F194-N201 HydrophobicContact CD1-CB 4.09Å; F194-N201 HydrophobicContact CE1-CB 3.7Å; F194-N201 WeakPolarHBondContact CE1-O 3.5Å; F194-N201 HydrophobicContact CE2-CB 4.5Å; F194-N201 HydrophobicContact CZ-CB 3.91Å; F194-N201 VanDerWaalsContact O-CB 3.29Å; F194-N201 WeakPolarHBondContact O-CB 3.05Å; F194-N201 PolarHBondContact O-ND2 3.06Å; A198-N201 WeakPolarHBondContact O-CB 3.24Å; A198-N201 PolarHBondContact O-N 3.16Å; E199-N201 VanDerWaalsContact C-N 3.33Å; E199-N201 PolarHBondContact O-N 3.18Å; N201-M203 VanDerWaalsContact C-N 3.26Å; N201-M203 PolarHBondContact O-N 3.4Å; N201-I204 PolarHBondContact O-N 3.17Å; N201-I204 VanDerWaalsContact O-N 3.14Å; N201-F205 PolarHBondContact O-N 2.9Å
202A90.5Very high89.4Confident0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-55.6-40.7171.700000112.2V195 M200 I204 F205 V206 T250V195-A202 HydrophobicContact CG1-CB 4.22Å; M200-A202 PolarHBondContact O-N 3.3Å; A202-I204 PolarHBondContact O-N 3.15Å; A202-F205 PolarHBondContact O-N 2.8Å; A202-V206 WeakPolarHBondContact O-CG2 3.41Å; A202-V206 PolarHBondContact O-N 2.95Å; A202-T250 HydrophobicContact CB-CG2 4.33Å
203M88.7Confident89.2Confident11 Ų1130.9 Ų30.95%0.05415%0.152CC..Hα-helixtrans-71.3-29.9178.7-68.1-62.8-7300112.9M200 N201 K207 I254 P255 T259 L341M200-M203 PolarHBondContact O-N 3.5Å; N201-M203 VanDerWaalsContact C-N 3.26Å; N201-M203 PolarHBondContact O-N 3.4Å; M203-K207 WeakPolarHBondContact O-CB 3.31Å; M203-K207 WeakPolarHBondContact O-CD 3.45Å; M203-K207 WeakPolarHBondContact O-CG 3.26Å; M203-K207 PolarHBondContact O-N 3.47Å; M203-I254 HydrophobicContact SD-CG1 4.24Å; M203-I254 HydrophobicContact SD-CG2 4.34Å; M203-P255 HydrophobicContact CG-CG 4.29Å; M203-P255 HydrophobicContact SD-CG 4.47Å; M203-T259 HydrophobicContact CE-CG2 4Å; M203-T259 HydrophobicContact SD-CG2 4.01Å; M203-L341 HydrophobicContact CB-CD1 4.27Å; M203-L341 HydrophobicContact CG-CD1 4.19Å
204I89.7Confident88.9Confident29 Ų2933.3 Ų33.315%0.14918%0.176CC..Hα-helixtrans-72.5-38.7173.7-53.8178000109.8I163 L169 F194 N201 A202 S208I163-I204 HydrophobicContact CG2-CD1 3.79Å; L169-I204 HydrophobicContact CD1-CG2 3.74Å; F194-I204 HydrophobicContact CE1-CB 4.31Å; F194-I204 HydrophobicContact CZ-CB 4.18Å; F194-I204 HydrophobicContact CZ-CG2 4.13Å; N201-I204 PolarHBondContact O-N 3.17Å; N201-I204 VanDerWaalsContact O-N 3.14Å; A202-I204 PolarHBondContact O-N 3.15Å; I204-S208 WeakPolarHBondContact O-CB 3.15Å; I204-S208 PolarHBondContact O-N 3.01Å; I204-S208 PolarHBondContact O-OG 3.09Å
205F93.2Very high88.3Confident1 Ų139.2 Ų39.20%0.00421%0.208CC..Hα-helixtrans-66.2-48.3175.1-178.8-125.9000112.3Y173 Q191 F194 V195 N201 A202 K207 S208 V209 W223 L246 T250Y173-F205 HydrophobicContact CD2-CE2 4.46Å; Y173-F205 HydrophobicContact CD2-CZ 4.47Å; Q191-F205 HydrophobicContact CB-CE2 4.44Å; Q191-F205 HydrophobicContact CB-CZ 4.5Å; Q191-F205 HydrophobicContact CG-CE2 3.98Å; Q191-F205 HydrophobicContact CG-CZ 4.41Å; Q191-F205 VanDerWaalsContact OE1-CE2 3.27Å; F194-F205 HydrophobicContact CD1-CB 4.4Å; F194-F205 HydrophobicContact CE1-CB 4.26Å; V195-F205 HydrophobicContact CG2-CB 3.95Å; V195-F205 HydrophobicContact CG2-CD1 3.73Å; V195-F205 HydrophobicContact CG2-CE1 4.47Å; V195-F205 HydrophobicContact CG2-CG 3.95Å; N201-F205 PolarHBondContact O-N 2.9Å; A202-F205 PolarHBondContact O-N 2.8Å; F205-K207 PolarHBondContact O-N 3.47Å; F205-S208 WeakPolarHBondContact O-CA 3.38Å; F205-S208 WeakPolarHBondContact O-CB 3.21Å; F205-S208 PolarHBondContact O-N 3.1Å; F205-V209 HydrophobicContact CD2-CG2 4.28Å; F205-V209 HydrophobicContact CE2-CG2 3.89Å; F205-V209 HydrophobicContact CZ-CG2 4.03Å; F205-V209 WeakPolarHBondContact O-CG2 3.49Å; F205-V209 PolarHBondContact O-N 3.39Å; F205-W223 HydrophobicContact CD1-CH2 4.32Å; F205-W223 HydrophobicContact CD1-CZ3 4.27Å; F205-W223 HydrophobicContact CE1-CH2 4.27Å; F205-W223 AromaticContact CE1-CZ3 3.77Å; F205-W223 HydrophobicContact CE1-CZ3 3.77Å; F205-W223 HydrophobicContact CZ-CZ3 4.39Å; F205-L246 HydrophobicContact CE1-CD1 3.95Å; F205-L246 HydrophobicContact CE1-CD2 4.19Å; F205-L246 HydrophobicContact CE1-CG 4.05Å; F205-L246 HydrophobicContact CZ-CD1 4.4Å; F205-L246 HydrophobicContact CZ-CD2 3.99Å; F205-L246 HydrophobicContact CZ-CG 4.36Å; F205-T250 HydrophobicContact CD1-CG2 4.04Å
206V91.6Very high87.9Confident2 Ų241.2 Ų41.21%0.01222%0.22CC..Hα-helixtrans-51-53.8173.51690000110.6A202 S208 V209 E210 W223 T250 I254 V263A202-V206 WeakPolarHBondContact O-CG2 3.41Å; A202-V206 PolarHBondContact O-N 2.95Å; V206-S208 VanDerWaalsContact C-N 3.28Å; V206-S208 PolarHBondContact O-N 3.39Å; V206-V209 PolarHBondContact O-N 3.49Å; V206-V209 VanDerWaalsContact O-N 3.15Å; V206-E210 WeakPolarHBondContact O-CG 3.06Å; V206-E210 PolarHBondContact O-N 3.44Å; V206-W223 HydrophobicContact CB-CH2 4.37Å; V206-W223 HydrophobicContact CB-CZ2 4.18Å; V206-W223 HydrophobicContact CG1-CZ2 4.2Å; V206-W223 HydrophobicContact CG2-CH2 3.8Å; V206-W223 HydrophobicContact CG2-CZ2 3.79Å; V206-T250 HydrophobicContact CG2-CG2 3.78Å; V206-I254 HydrophobicContact CG2-CD1 4.41Å; V206-V263 HydrophobicContact CG1-CG2 4.23Å; V206-V263 HydrophobicContact CG2-CG2 4.47Å
207K89.2Confident86.8Confident54 Ų5443.2 Ų43.224%0.23524%0.236CC..Hα-helixtrans-64.7-29.7179.1-72.1166.6-175.4156.10113.3M203 F205 A211 M345M203-K207 WeakPolarHBondContact O-CB 3.31Å; M203-K207 WeakPolarHBondContact O-CD 3.45Å; M203-K207 WeakPolarHBondContact O-CG 3.26Å; M203-K207 PolarHBondContact O-N 3.47Å; F205-K207 PolarHBondContact O-N 3.47Å; K207-A211 WeakPolarHBondContact O-CB 3.44Å; K207-A211 PolarHBondContact O-N 2.88Å; K207-M345 HydrophobicContact CD-CE 4.21Å; K207-M345 HydrophobicContact CD-SD 4.43Å; K207-M345 PolarHBondContact NZ-SD 3.46Å
208S90.5Very high86.1Confident4 Ų444.7 Ų44.73%0.02826%0.256CS..Hα-helixtrans-70.4-38.6174.7-630000112.1I204 F205 V206 Y212I204-S208 WeakPolarHBondContact O-CB 3.15Å; I204-S208 PolarHBondContact O-N 3.01Å; I204-S208 PolarHBondContact O-OG 3.09Å; F205-S208 WeakPolarHBondContact O-CA 3.38Å; F205-S208 WeakPolarHBondContact O-CB 3.21Å; F205-S208 PolarHBondContact O-N 3.1Å; V206-S208 VanDerWaalsContact C-N 3.28Å; V206-S208 PolarHBondContact O-N 3.39Å; S208-Y212 VanDerWaalsContact O-CB 3.24Å; S208-Y212 WeakPolarHBondContact O-CB 3.35Å; S208-Y212 PolarHBondContact O-N 3.24Å
209V92Very high85.5Confident0 Ų043.7 Ų43.70%025%0.247CC..Hα-helixtrans-66.3-47.1172.71740000110.7Y173 F205 V206 Y212 H213 P222 W223Y173-V209 HydrophobicContact CD2-CG2 3.69Å; Y173-V209 HydrophobicContact CE1-CG1 4.23Å; Y173-V209 HydrophobicContact CE2-CG1 4.03Å; Y173-V209 HydrophobicContact CE2-CG2 3.75Å; Y173-V209 HydrophobicContact CG-CG2 4.13Å; F205-V209 HydrophobicContact CD2-CG2 4.28Å; F205-V209 HydrophobicContact CE2-CG2 3.89Å; F205-V209 HydrophobicContact CZ-CG2 4.03Å; F205-V209 WeakPolarHBondContact O-CG2 3.49Å; F205-V209 PolarHBondContact O-N 3.39Å; V206-V209 PolarHBondContact O-N 3.49Å; V206-V209 VanDerWaalsContact O-N 3.15Å; V209-Y212 PolarHBondContact O-N 3.28Å; V209-H213 PolarHBondContact O-CD2 2.68Å; V209-H213 VanDerWaalsContact O-CD2 3.32Å; V209-H213 PolarHBondContact O-N 2.87Å; V209-H213 VanDerWaalsContact O-N 3.12Å; V209-P222 HydrophobicContact CG1-CB 4.18Å; V209-W223 HydrophobicContact CB-CH2 4.44Å; V209-W223 HydrophobicContact CB-CZ2 4.5Å; V209-W223 HydrophobicContact CG1-CD2 4.16Å; V209-W223 HydrophobicContact CG1-CE3 4.35Å; V209-W223 HydrophobicContact CG2-CH2 4.22Å; V209-W223 HydrophobicContact CG2-CZ3 4.11Å
210E89.7Confident85.5Confident58 Ų5840.5 Ų40.527%0.27125%0.245SC..Hα-helixtrans-61.1-49.5177.6-69.4174.8144.400111.7V206 Y212 H213 A214 P222V206-E210 WeakPolarHBondContact O-CG 3.06Å; V206-E210 PolarHBondContact O-N 3.44Å; E210-Y212 VanDerWaalsContact C-N 3.31Å; E210-Y212 PolarHBondContact O-N 3.47Å; E210-H213 PolarHBondContact O-N 2.8Å; E210-A214 WeakPolarHBondContact O-CB 3.33Å; E210-A214 PolarHBondContact O-N 3.5Å; E210-P222 HydrophobicContact CG-CG 4.48Å
211A87.6Confident85.7Confident13 Ų1342.7 Ų42.711%0.10725%0.249CC..Hα-helixtrans-63.8-33.6177.100000112.8K207 N215K207-A211 WeakPolarHBondContact O-CB 3.44Å; K207-A211 PolarHBondContact O-N 2.88Å; A211-N215 WeakPolarHBondContact O-CB 3.15Å; A211-N215 VanDerWaalsContact O-CG 3.28Å; A211-N215 PolarHBondContact O-N 3.46Å; A211-N215 PolarHBondContact O-ND2 2.83Å
212Y89.9Confident85.6Confident39 Ų3944 Ų4415%0.15326%0.258CS..Hα-helixtrans-62.3-49174.5179.6-93.7000111.4R170 Y173 S174 S208 V209 E210 T216 Y225R170-Y212 HydrophobicContact CB-CD2 4.21Å; Y173-Y212 AromaticContact CD1-CD1 3.73Å; Y173-Y212 HydrophobicContact CD1-CD1 3.73Å; Y173-Y212 HydrophobicContact CD1-CE1 4.18Å; Y173-Y212 HydrophobicContact CD1-CG 4.05Å; Y173-Y212 AromaticContact CE1-CD1 3.78Å; Y173-Y212 HydrophobicContact CE1-CD1 3.78Å; Y173-Y212 HydrophobicContact CE1-CE1 4.23Å; Y173-Y212 HydrophobicContact CE1-CG 4.47Å; S174-Y212 WeakPolarHBondContact CB-OH 3.48Å; S208-Y212 VanDerWaalsContact O-CB 3.24Å; S208-Y212 WeakPolarHBondContact O-CB 3.35Å; S208-Y212 PolarHBondContact O-N 3.24Å; V209-Y212 PolarHBondContact O-N 3.28Å; E210-Y212 VanDerWaalsContact C-N 3.31Å; E210-Y212 PolarHBondContact O-N 3.47Å; Y212-T216 WeakPolarHBondContact O-CB 3.36Å; Y212-T216 PolarHBondContact O-N 2.72Å; Y212-T216 PolarHBondContact O-OG1 2.83Å; Y212-Y225 HydrophobicContact CD1-CE2 4.37Å; Y212-Y225 AromaticContact CE1-CE2 3.51Å; Y212-Y225 HydrophobicContact CE1-CE2 3.51Å; Y212-Y225 AromaticContact CE1-CZ 3.82Å; Y212-Y225 PolarHBondContact OH-OH 3.46Å
213H89.3Confident85.8Confident8 Ų844.1 Ų44.14%0.03726%0.258CS..Hα-helixtrans-71.7-32.6178.9-77.2-79.8000113Y173 V209 E210 T216 S219 G220 R221 P222 S224 Y225Y173-H213 AromaticContact CE1-CD2 3.86Å; V209-H213 PolarHBondContact O-CD2 2.68Å; V209-H213 VanDerWaalsContact O-CD2 3.32Å; V209-H213 PolarHBondContact O-N 2.87Å; V209-H213 VanDerWaalsContact O-N 3.12Å; E210-H213 PolarHBondContact O-N 2.8Å; H213-T216 CarbonylContact O-C 3.28Å; H213-T216 VanDerWaalsContact O-C 3.3Å; H213-T216 PolarHBondContact O-N 2.82Å; H213-S219 WeakPolarHBondContact CE1-CB 3.29Å; H213-S219 PolarHBondContact CE1-O 2.99Å; H213-S219 PolarHBondContact CE1-OG 2.88Å; H213-S219 PolarHBondContact ND1-OG 2.99Å; H213-S219 PolarHBondContact NE2-O 3.28Å; H213-G220 PolarHBondContact CE1-N 3Å; H213-G220 PolarHBondContact CE1-O 2.86Å; H213-R221 PolarHBondContact ND1-O 2.87Å; H213-R221 PolarHBondContact NE2-O 3.4Å; H213-P222 HydrophobicContact CB-CG 4.26Å; H213-P222 VanDerWaalsContact CD2-CA 3.44Å; H213-P222 WeakPolarHBondContact CD2-CA 3.3Å; H213-S224 PolarHBondContact NE2-OG 2.91Å; H213-Y225 AromaticContact NE2-CD1 3.62Å; H213-Y225 AromaticContact NE2-CE1 3.35Å; H213-Y225 VanDerWaalsContact NE2-CE1 3.35Å; H213-Y225 WeakPolarHBondContact NE2-CE1 3.28Å; H213-Y225 AromaticContact NE2-CZ 3.77Å
214A85.8Confident86Confident75 Ų7544.2 Ų44.262%0.6226%0.26SS*.Hα-helixtrans-65-43.7174.200000112.3E210E210-A214 WeakPolarHBondContact O-CB 3.33Å; E210-A214 PolarHBondContact O-N 3.5Å
215N81.4Confident86.2Confident125 Ų12544 Ų4467%0.66826%0.257SS*.Hα-helixtrans-78.4-20.5177.2-67-22.2000113A211 P217A211-N215 WeakPolarHBondContact O-CB 3.15Å; A211-N215 VanDerWaalsContact O-CG 3.28Å; A211-N215 PolarHBondContact O-N 3.46Å; A211-N215 PolarHBondContact O-ND2 2.83Å; N215-P217 VanDerWaalsContact C-CD 3.46Å; N215-P217 WeakPolarHBondContact O-CD 3.46Å
216T82Confident86.2Confident44 Ų4443.9 Ų43.927%0.2726%0.257SS..  trans-122.866.9-176.8-38.30000110.3Y212 H213 T218 S219Y212-T216 WeakPolarHBondContact O-CB 3.36Å; Y212-T216 PolarHBondContact O-N 2.72Å; Y212-T216 PolarHBondContact O-OG1 2.83Å; H213-T216 CarbonylContact O-C 3.28Å; H213-T216 VanDerWaalsContact O-C 3.3Å; H213-T216 PolarHBondContact O-N 2.82Å; T216-T218 PolarHBondContact O-N 3.32Å; T216-S219 VanDerWaalsContact O-CB 3.28Å; T216-S219 WeakPolarHBondContact O-CB 3.48Å; T216-S219 PolarHBondContact O-N 2.94Å; T216-S219 PolarHBondContact O-OG 3.48Å
217P68.6Low86.3Confident107 Ų10744.3 Ų44.370%0.69526%0.259SS*.G310 helixtrans-62.1-14.6-171.823.3-34.6000114.9N215 S219N215-P217 VanDerWaalsContact C-CD 3.46Å; N215-P217 WeakPolarHBondContact O-CD 3.46Å; P217-S219 VanDerWaalsContact C-N 3.34Å
218T73.6Confident86.4Confident136 Ų13646.3 Ų46.383%0.83427%0.272SS*.G310 helixtrans-77.4-13.8171.550.10000114.2T216 G220T216-T218 PolarHBondContact O-N 3.32Å; T218-G220 VanDerWaalsContact C-N 3.31Å; T218-G220 PolarHBondContact O-N 2.69Å
219S70.7Confident86.5Confident16 Ų1646.9 Ų46.911%0.11228%0.275CS..G310 helixtrans-76.9-13.5-178.962.40000114.2H213 T216 P217 Y225H213-S219 WeakPolarHBondContact CE1-CB 3.29Å; H213-S219 PolarHBondContact CE1-O 2.99Å; H213-S219 PolarHBondContact CE1-OG 2.88Å; H213-S219 PolarHBondContact ND1-OG 2.99Å; H213-S219 PolarHBondContact NE2-O 3.28Å; T216-S219 VanDerWaalsContact O-CB 3.28Å; T216-S219 WeakPolarHBondContact O-CB 3.48Å; T216-S219 PolarHBondContact O-N 2.94Å; T216-S219 PolarHBondContact O-OG 3.48Å; P217-S219 VanDerWaalsContact C-N 3.34Å; S219-Y225 VanDerWaalsContact CB-OH 3.23Å; S219-Y225 WeakPolarHBondContact CB-OH 3.5Å; S219-Y225 WeakPolarHBondContact O-CE1 3.42Å
220G80Confident86.6Confident47 Ų4746.9 Ų46.949%0.48528%0.275SS..  trans109.7-136.9178.500000112.8H213 T218H213-G220 PolarHBondContact CE1-N 3Å; H213-G220 PolarHBondContact CE1-O 2.86Å; T218-G220 VanDerWaalsContact C-N 3.31Å; T218-G220 PolarHBondContact O-N 2.69Å
221R86Confident86.6Confident122 Ų12249 Ų4946%0.4629%0.288SS..SBendtrans-106.7156.3175.9-73.4177164.7-149.3-4.9110.5H213 S224 E269 M270H213-R221 PolarHBondContact ND1-O 2.87Å; H213-R221 PolarHBondContact NE2-O 3.4Å; R221-S224 WeakPolarHBondContact O-CB 3.39Å; R221-S224 PolarHBondContact O-N 3.38Å; R221-S224 VanDerWaalsContact O-N 3.11Å; R221-S224 PolarHBondContact O-OG 3.15Å; R221-E269 IonicContact CZ-OE2 2.78Å; R221-E269 IonicContact NH1-OE2 3.54Å; R221-E269 PolarHBondContact NH1-OE2 3.19Å; R221-E269 IonicContact NH2-OE2 3.76Å; R221-E269 PolarHBondContact NH2-OE2 3.13Å; R221-E269 VanDerWaalsContact NH2-OE2 3.13Å; R221-M270 HydrophobicContact CB-SD 3.95Å
222P88.8Confident86.5Confident33 Ų3352 Ų5221%0.21430%0.303CS..THydrogen-bonded Turntrans-41.5142.5167.4-30.637000112.5V209 E210 H213 S224 M270V209-P222 HydrophobicContact CG1-CB 4.18Å; E210-P222 HydrophobicContact CG-CG 4.48Å; H213-P222 HydrophobicContact CB-CG 4.26Å; H213-P222 VanDerWaalsContact CD2-CA 3.44Å; H213-P222 WeakPolarHBondContact CD2-CA 3.3Å; P222-S224 PolarHBondContact O-N 2.98Å; P222-M270 WeakPolarHBondContact O-CE 3.36Å
223W93.2Very high85.5Confident2 Ų256.5 Ų56.51%0.00833%0.325CS..THydrogen-bonded Turntrans65-6.7-178.8-41.598.9000116.9Y173 F205 V206 V209 Y225 L226 I227 L247 T250 V263 L267 M270Y173-W223 WeakPolarHBondContact OH-CA 3.03Å; Y173-W223 PolarHBondContact OH-N 3.15Å; F205-W223 HydrophobicContact CD1-CH2 4.32Å; F205-W223 HydrophobicContact CD1-CZ3 4.27Å; F205-W223 HydrophobicContact CE1-CH2 4.27Å; F205-W223 AromaticContact CE1-CZ3 3.77Å; F205-W223 HydrophobicContact CE1-CZ3 3.77Å; F205-W223 HydrophobicContact CZ-CZ3 4.39Å; V206-W223 HydrophobicContact CB-CH2 4.37Å; V206-W223 HydrophobicContact CB-CZ2 4.18Å; V206-W223 HydrophobicContact CG1-CZ2 4.2Å; V206-W223 HydrophobicContact CG2-CH2 3.8Å; V206-W223 HydrophobicContact CG2-CZ2 3.79Å; V209-W223 HydrophobicContact CB-CH2 4.44Å; V209-W223 HydrophobicContact CB-CZ2 4.5Å; V209-W223 HydrophobicContact CG1-CD2 4.16Å; V209-W223 HydrophobicContact CG1-CE3 4.35Å; V209-W223 HydrophobicContact CG2-CH2 4.22Å; V209-W223 HydrophobicContact CG2-CZ3 4.11Å; W223-Y225 PolarHBondContact O-N 2.96Å; W223-L226 HydrophobicContact CE3-CD1 4.14Å; W223-L226 PolarHBondContact O-N 2.85Å; W223-I227 PolarHBondContact O-N 2.87Å; W223-I227 VanDerWaalsContact O-N 3.11Å; W223-L247 HydrophobicContact CE3-CD2 3.92Å; W223-L247 HydrophobicContact CZ3-CD2 4.47Å; W223-T250 HydrophobicContact CH2-CG2 3.95Å; W223-T250 HydrophobicContact CZ3-CG2 4.42Å; W223-V263 HydrophobicContact CZ2-CG1 4.08Å; W223-V263 HydrophobicContact CZ2-CG2 4.15Å; W223-L267 HydrophobicContact CB-CD2 3.73Å; W223-L267 HydrophobicContact CG-CD2 4.11Å; W223-M270 HydrophobicContact CB-CE 3.79Å
224S92.9Very high84.7Confident14 Ų1460.5 Ų60.510%0.09836%0.359CS..Hα-helixtrans-57-27.2-176.458.30000114.3H213 R221 P222 I227 N228H213-S224 PolarHBondContact NE2-OG 2.91Å; R221-S224 WeakPolarHBondContact O-CB 3.39Å; R221-S224 PolarHBondContact O-N 3.38Å; R221-S224 VanDerWaalsContact O-N 3.11Å; R221-S224 PolarHBondContact O-OG 3.15Å; P222-S224 PolarHBondContact O-N 2.98Å; S224-I227 PolarHBondContact O-N 3.1Å; S224-N228 WeakPolarHBondContact O-CB 3.27Å; S224-N228 PolarHBondContact O-N 3.46Å; S224-N228 PolarHBondContact O-ND2 2.8Å
225Y93.8Very high84.3Confident23 Ų2357.7 Ų57.79%0.0934%0.335CS..Hα-helixtrans-69.1-38.9176.3-65-8.4000112.6Y173 T177 Y212 H213 S219 W223 N228 I229Y173-Y225 AromaticContact CD1-CD2 3.75Å; Y173-Y225 HydrophobicContact CD1-CD2 3.75Å; Y173-Y225 HydrophobicContact CD1-CE2 4.08Å; Y173-Y225 AromaticContact CE1-CD2 3.28Å; Y173-Y225 HydrophobicContact CE1-CD2 3.28Å; Y173-Y225 AromaticContact CE1-CE2 3.75Å; Y173-Y225 HydrophobicContact CE1-CE2 3.75Å; Y173-Y225 AromaticContact CE1-CG 3.98Å; Y173-Y225 HydrophobicContact CE1-CG 3.98Å; Y173-Y225 HydrophobicContact CE2-CD2 4.39Å; Y173-Y225 HydrophobicContact CG-CD2 4.47Å; Y173-Y225 AromaticContact CZ-CD2 3.66Å; Y173-Y225 AromaticContact CZ-CG 3.93Å; Y173-Y225 WeakPolarHBondContact O-CD2 3.31Å; T177-Y225 HydrophobicContact CG2-CD1 3.58Å; T177-Y225 HydrophobicContact CG2-CD2 3.68Å; T177-Y225 HydrophobicContact CG2-CE1 3.37Å; T177-Y225 HydrophobicContact CG2-CE2 3.49Å; T177-Y225 VanDerWaalsContact CG2-CE2 3.49Å; T177-Y225 HydrophobicContact CG2-CG 3.71Å; Y212-Y225 HydrophobicContact CD1-CE2 4.37Å; Y212-Y225 AromaticContact CE1-CE2 3.51Å; Y212-Y225 HydrophobicContact CE1-CE2 3.51Å; Y212-Y225 AromaticContact CE1-CZ 3.82Å; Y212-Y225 PolarHBondContact OH-OH 3.46Å; H213-Y225 AromaticContact NE2-CD1 3.62Å; H213-Y225 AromaticContact NE2-CE1 3.35Å; H213-Y225 VanDerWaalsContact NE2-CE1 3.35Å; H213-Y225 WeakPolarHBondContact NE2-CE1 3.28Å; H213-Y225 AromaticContact NE2-CZ 3.77Å; S219-Y225 VanDerWaalsContact CB-OH 3.23Å; S219-Y225 WeakPolarHBondContact CB-OH 3.5Å; S219-Y225 WeakPolarHBondContact O-CE1 3.42Å; W223-Y225 PolarHBondContact O-N 2.96Å; Y225-N228 PolarHBondContact O-N 2.93Å; Y225-I229 WeakPolarHBondContact O-CG1 3.42Å; Y225-I229 PolarHBondContact O-N 3.37Å; Y225-I229 VanDerWaalsContact O-N 3.16Å
226L94.2Very high84.4Confident0 Ų055 Ų550%032%0.321CS..Hα-helixtrans-70.9-40173.4-63.6178.1000111L176 L188 W223 N228 I229 L230 A243 L246 L247L176-L226 HydrophobicContact CD1-CD2 3.72Å; L176-L226 HydrophobicContact CD1-CG 4.29Å; L188-L226 HydrophobicContact CD2-CD2 3.62Å; W223-L226 HydrophobicContact CE3-CD1 4.14Å; W223-L226 PolarHBondContact O-N 2.85Å; L226-N228 VanDerWaalsContact C-N 3.31Å; L226-N228 PolarHBondContact O-N 3.37Å; L226-I229 PolarHBondContact O-N 3.43Å; L226-L230 WeakPolarHBondContact O-CB 3.25Å; L226-L230 WeakPolarHBondContact O-CG 3.39Å; L226-L230 PolarHBondContact O-N 3.48Å; L226-A243 HydrophobicContact CD2-CB 3.97Å; L226-L246 HydrophobicContact CD1-CD2 4.27Å; L226-L246 HydrophobicContact CD2-CD2 4.29Å; L226-L247 HydrophobicContact CB-CD1 4.48Å; L226-L247 HydrophobicContact CD1-CD2 3.84Å; L226-L247 HydrophobicContact CD1-CG 3.92Å
227I93.2Very high84.7Confident10 Ų1056 Ų565%0.05132%0.324CS..Hα-helixtrans-58.8-41.5172.8-66-63.2000111.3W223 S224 L230 N231 L267 M270 M272 I275W223-I227 PolarHBondContact O-N 2.87Å; W223-I227 VanDerWaalsContact O-N 3.11Å; S224-I227 PolarHBondContact O-N 3.1Å; I227-L230 PolarHBondContact O-N 2.69Å; I227-N231 WeakPolarHBondContact O-CB 3.17Å; I227-N231 PolarHBondContact O-N 3.49Å; I227-L267 HydrophobicContact CD1-CD2 3.89Å; I227-L267 HydrophobicContact CG1-CD2 4.24Å; I227-M270 HydrophobicContact CG1-CB 4.22Å; I227-M270 HydrophobicContact CG1-CE 3.77Å; I227-M270 HydrophobicContact CG1-SD 4.27Å; I227-M270 HydrophobicContact CG2-CB 4.31Å; I227-M272 HydrophobicContact CD1-CB 4.26Å; I227-M272 HydrophobicContact CD1-SD 3.71Å; I227-I275 HydrophobicContact CD1-CD1 4.36Å; I227-I275 HydrophobicContact CG2-CD1 3.81Å
228N92.1Very high85.7Confident97 Ų9753.9 Ų53.952%0.51931%0.305SS..Hα-helixtrans-64.6-39.9177.1-75-24.6000112.5S224 Y225 L226 N232S224-N228 WeakPolarHBondContact O-CB 3.27Å; S224-N228 PolarHBondContact O-N 3.46Å; S224-N228 PolarHBondContact O-ND2 2.8Å; Y225-N228 PolarHBondContact O-N 2.93Å; L226-N228 VanDerWaalsContact C-N 3.31Å; L226-N228 PolarHBondContact O-N 3.37Å; N228-N232 WeakPolarHBondContact O-CB 3.35Å; N228-N232 PolarHBondContact O-N 3.49Å
229I92.8Very high86.6Confident15 Ų1548 Ų488%0.07727%0.268CS..Hα-helixtrans-61.9-47.3173.7-68.7167000110.2L176 V184 L188 Y225 L226 S235 L239 L240 A243L176-I229 HydrophobicContact CB-CD1 4.22Å; L176-I229 HydrophobicContact CD2-CD1 4.45Å; V184-I229 HydrophobicContact CG1-CD1 3.95Å; L188-I229 HydrophobicContact CD1-CD1 4.43Å; Y225-I229 WeakPolarHBondContact O-CG1 3.42Å; Y225-I229 PolarHBondContact O-N 3.37Å; Y225-I229 VanDerWaalsContact O-N 3.16Å; L226-I229 PolarHBondContact O-N 3.43Å; I229-S235 WeakPolarHBondContact O-CB 3.48Å; I229-S235 PolarHBondContact O-OG 3.1Å; I229-L239 HydrophobicContact CG2-CB 4.02Å; I229-L240 VanDerWaalsContact O-CD2 3.25Å; I229-L240 WeakPolarHBondContact O-CD2 3.49Å; I229-A243 HydrophobicContact CB-CB 4.44Å; I229-A243 HydrophobicContact CG2-CB 3.96Å
230L92.5Very high87.7Confident1 Ų147.9 Ų47.91%0.00527%0.266CS..Hα-helixtrans-70.5-32.9-177.2-69.1170.8000114.3L226 I227 L240 A243 M244 L247 M272 I275 H279L226-L230 WeakPolarHBondContact O-CB 3.25Å; L226-L230 WeakPolarHBondContact O-CG 3.39Å; L226-L230 PolarHBondContact O-N 3.48Å; I227-L230 PolarHBondContact O-N 2.69Å; L230-L240 HydrophobicContact CD2-CD2 4.27Å; L230-L240 WeakPolarHBondContact CD2-O 3.28Å; L230-A243 HydrophobicContact CD2-CB 4.1Å; L230-A243 HydrophobicContact CG-CB 4.12Å; L230-M244 HydrophobicContact CD1-SD 4.12Å; L230-M244 HydrophobicContact CD2-CB 4.19Å; L230-M244 HydrophobicContact CD2-SD 4.42Å; L230-L247 HydrophobicContact CD1-CD1 3.74Å; L230-M272 HydrophobicContact CD1-CE 4.12Å; L230-M272 HydrophobicContact CD1-SD 4.34Å; L230-I275 HydrophobicContact CB-CG2 4.04Å; L230-H279 PolarHBondContact O-NE2 3.33Å
231N91.4Very high88.2Confident101 Ų10146 Ų4654%0.5425%0.245SC..Hα-helixtrans-80.8-23.3-179.9-172.352000113I227 E233 I275I227-N231 WeakPolarHBondContact O-CB 3.17Å; I227-N231 PolarHBondContact O-N 3.49Å; N231-E233 PolarHBondContact O-N 3.49Å; N231-I275 HydrophobicContact CB-CD1 3.8Å; N231-I275 HydrophobicContact CB-CG1 4.19Å
232N85Confident88.6Confident78 Ų7841.4 Ų41.442%0.41723%0.228SC..  trans-76.8105.4178.2173.432.8000111N228 A234 S235N228-N232 WeakPolarHBondContact O-CB 3.35Å; N228-N232 PolarHBondContact O-N 3.49Å; N232-A234 PolarHBondContact O-N 3.33Å; N232-A234 VanDerWaalsContact O-N 3.14Å; N232-A234 PolarHBondContact OD1-N 3.05Å; N232-A234 VanDerWaalsContact OD1-N 3.16Å; N232-S235 WeakPolarHBondContact CB-OG 3.19Å; N232-S235 PolarHBondContact ND2-N 2.92Å; N232-S235 PolarHBondContact ND2-OG 3.27Å; N232-S235 WeakPolarHBondContact O-CB 3.32Å; N232-S235 PolarHBondContact O-N 3.3Å; N232-S235 PolarHBondContact O-OG 2.87Å
233E68.7Low88.9Confident133 Ų13339.9 Ų39.962%0.62122%0.218SC*.THydrogen-bonded Turntrans-64.8-15178.2-54.5-162124.900114.4N231 K282N231-E233 PolarHBondContact O-N 3.49Å; E233-K282 WeakPolarHBondContact OE1-CE 3.35Å; E233-K282 IonicContact OE1-NZ 2.65Å; E233-K282 PolarHBondContact OE1-NZ 2.93Å
234A72Confident88.9Confident91 Ų9139.8 Ų39.875%0.75222%0.217SC*.THydrogen-bonded Turntrans-91.42.3172.600000113.2N232N232-A234 PolarHBondContact O-N 3.33Å; N232-A234 VanDerWaalsContact O-N 3.14Å; N232-A234 PolarHBondContact OD1-N 3.05Å; N232-A234 VanDerWaalsContact OD1-N 3.16Å
235S76.8Confident88.9Confident17 Ų1739.3 Ų39.312%0.11921%0.214CC..SBendtrans-67.3129.3165.4-68.40000109.2I229 N232I229-S235 WeakPolarHBondContact O-CB 3.48Å; I229-S235 PolarHBondContact O-OG 3.1Å; N232-S235 WeakPolarHBondContact CB-OG 3.19Å; N232-S235 PolarHBondContact ND2-N 2.92Å; N232-S235 PolarHBondContact ND2-OG 3.27Å; N232-S235 WeakPolarHBondContact O-CB 3.32Å; N232-S235 PolarHBondContact O-N 3.3Å; N232-S235 PolarHBondContact O-OG 2.87Å
236D83.8Confident89Confident69 Ų6938.2 Ų38.237%0.36921%0.21SC..  trans-56.2142.1168-172.2-56.7000111.2R181 E238 L239 L240R181-D236 VanDerWaalsContact CZ-CG 3.41Å; R181-D236 IonicContact CZ-OD2 3.77Å; R181-D236 IonicContact NE-OD2 3.13Å; R181-D236 IonicContact NH1-OD2 2.66Å; R181-D236 IonicContact NH2-OD1 3.23Å; R181-D236 PolarHBondContact NH2-OD1 3.1Å; R181-D236 IonicContact NH2-OD2 2.69Å; R181-D236 PolarHBondContact NH2-OD2 2.7Å; D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.92Å; D236-E238 PolarHBondContact OD1-N 3.22Å; D236-L239 PolarHBondContact O-N 2.74Å; D236-L240 PolarHBondContact O-N 3.31Å
237L89.5Confident89Confident64 Ų6438.3 Ų38.334%0.33521%0.21SC..Hα-helixtrans-46.9-41.5177.2178.362000113.9L239 L240 I241 D286 L289L237-L239 VanDerWaalsContact C-N 3.27Å; L237-L239 PolarHBondContact O-N 3.34Å; L237-L240 WeakPolarHBondContact O-CB 3.32Å; L237-L240 PolarHBondContact O-N 3.02Å; L237-I241 HydrophobicContact CD1-CD1 3.75Å; L237-I241 HydrophobicContact CD1-CG1 4Å; L237-I241 HydrophobicContact CD2-CD1 4.38Å; L237-I241 HydrophobicContact CG-CD1 3.69Å; L237-I241 HydrophobicContact CG-CG1 4.35Å; L237-I241 WeakPolarHBondContact O-CG1 3.45Å; L237-I241 PolarHBondContact O-N 2.85Å; L237-D286 HydrophobicContact CD1-CB 3.57Å; L237-D286 HydrophobicContact CD2-CB 3.85Å; L237-D286 VanDerWaalsContact CD2-CG 3.45Å; L237-D286 WeakPolarHBondContact CD2-OD2 3.47Å; L237-D286 HydrophobicContact CG-CB 4.37Å; L237-L289 HydrophobicContact CD1-CB 3.87Å; L237-L289 HydrophobicContact CD1-CD2 4.11Å
238E89Confident89Confident62 Ų6238.4 Ų38.429%0.2921%0.211SC..Hα-helixtrans-58.5-39.1178.4-68.9-173.5137.700112.3R181 K185 D236 Y242R181-E238 IonicContact NH2-OE2 3.38Å; R181-E238 PolarHBondContact NH2-OE2 3.28Å; K185-E238 WeakPolarHBondContact CD-OE2 3.2Å; K185-E238 WeakPolarHBondContact CE-OE2 3.38Å; K185-E238 IonicContact NZ-OE1 3.4Å; K185-E238 PolarHBondContact NZ-OE1 3.16Å; K185-E238 IonicContact NZ-OE2 2.99Å; K185-E238 PolarHBondContact NZ-OE2 2.95Å; D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.92Å; D236-E238 PolarHBondContact OD1-N 3.22Å; E238-Y242 HydrophobicContact CB-CE2 4.44Å; E238-Y242 WeakPolarHBondContact O-CB 3.39Å; E238-Y242 WeakPolarHBondContact O-CD2 3.35Å; E238-Y242 PolarHBondContact O-N 2.95Å
239L92.4Very high89Confident14 Ų1434.9 Ų34.97%0.07319%0.191CC..Hα-helixtrans-75-35.2180-60.8-177.2000111.3R181 V184 K185 L188 I229 D236 L237 A243R181-L239 VanDerWaalsContact NH1-CD1 3.27Å; V184-L239 HydrophobicContact CG1-CD1 4.33Å; V184-L239 HydrophobicContact CG1-CD2 4.2Å; K185-L239 HydrophobicContact CB-CD2 3.93Å; L188-L239 HydrophobicContact CD1-CD2 4.01Å; I229-L239 HydrophobicContact CG2-CB 4.02Å; D236-L239 PolarHBondContact O-N 2.74Å; L237-L239 VanDerWaalsContact C-N 3.27Å; L237-L239 PolarHBondContact O-N 3.34Å; L239-A243 WeakPolarHBondContact O-CB 3.49Å; L239-A243 PolarHBondContact O-N 3.43Å
240L92.9Very high89Confident12 Ų1234.2 Ų34.26%0.06319%0.188CC..Hα-helixtrans-62.7-47.6174.2-63176.1000110.6I229 L230 D236 L237 M244 L289I229-L240 VanDerWaalsContact O-CD2 3.25Å; I229-L240 WeakPolarHBondContact O-CD2 3.49Å; L230-L240 HydrophobicContact CD2-CD2 4.27Å; L230-L240 WeakPolarHBondContact CD2-O 3.28Å; D236-L240 PolarHBondContact O-N 3.31Å; L237-L240 WeakPolarHBondContact O-CB 3.32Å; L237-L240 PolarHBondContact O-N 3.02Å; L240-M244 VanDerWaalsContact O-CB 3.31Å; L240-M244 WeakPolarHBondContact O-CB 3.09Å; L240-M244 PolarHBondContact O-N 3.28Å; L240-L289 HydrophobicContact CB-CD1 3.94Å; L240-L289 HydrophobicContact CB-CD2 4.01Å; L240-L289 HydrophobicContact CD1-CD2 3.9Å
241I91.8Very high89Confident9 Ų934.4 Ų34.45%0.04619%0.188CC..Hα-helixtrans-61.2-55.4176-67.4165.9000109.9L237 A243 M244 T245 E288 L289L237-I241 HydrophobicContact CD1-CD1 3.75Å; L237-I241 HydrophobicContact CD1-CG1 4Å; L237-I241 HydrophobicContact CD2-CD1 4.38Å; L237-I241 HydrophobicContact CG-CD1 3.69Å; L237-I241 HydrophobicContact CG-CG1 4.35Å; L237-I241 WeakPolarHBondContact O-CG1 3.45Å; L237-I241 PolarHBondContact O-N 2.85Å; I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 3.47Å; I241-M244 PolarHBondContact O-N 3.35Å; I241-T245 PolarHBondContact O-N 3.39Å; I241-T245 PolarHBondContact O-OG1 2.98Å; I241-E288 HydrophobicContact CD1-CB 3.97Å; I241-E288 HydrophobicContact CD1-CG 3.96Å; I241-E288 HydrophobicContact CG1-CG 4.4Å; I241-E288 HydrophobicContact CG2-CG 4.27Å; I241-E288 WeakPolarHBondContact CG2-OE1 3.26Å; I241-L289 HydrophobicContact CG1-CB 4.15Å
242Y93.5Very high89Confident25 Ų2531.8 Ų31.810%0.09817%0.174CC..Hα-helixtrans-61.4-36.5-177.1-63.8-15.8000113.4K185 K189 E238 L246 L1412K185-Y242 HydrophobicContact CG-CE2 4.09Å; K189-Y242 HydrophobicContact CD-CD2 4.34Å; K189-Y242 HydrophobicContact CD-CE2 3.72Å; K189-Y242 WeakPolarHBondContact CE-OH 3.33Å; K189-Y242 HydrophobicContact CG-CD2 3.94Å; K189-Y242 HydrophobicContact CG-CE2 3.74Å; E238-Y242 HydrophobicContact CB-CE2 4.44Å; E238-Y242 WeakPolarHBondContact O-CB 3.39Å; E238-Y242 WeakPolarHBondContact O-CD2 3.35Å; E238-Y242 PolarHBondContact O-N 2.95Å; Y242-L246 WeakPolarHBondContact O-CB 3.29Å; Y242-L246 PolarHBondContact O-N 3.46Å; Y242-L1412 HydrophobicContact CD1-CD1 4.03Å; Y242-L1412 HydrophobicContact CD1-CD2 3.83Å; Y242-L1412 HydrophobicContact CE1-CD1 3.37Å; Y242-L1412 HydrophobicContact CE1-CD2 3.84Å; Y242-L1412 HydrophobicContact CE1-CG 4.27Å
243A95Very high89.1Confident0 Ų029.6 Ų29.60%017%0.165CC..Hα-helixtrans-66.2-39.9173.700000112.1L188 L226 I229 L230 L239 I241 L247L188-A243 HydrophobicContact CD2-CB 4.45Å; L226-A243 HydrophobicContact CD2-CB 3.97Å; I229-A243 HydrophobicContact CB-CB 4.44Å; I229-A243 HydrophobicContact CG2-CB 3.96Å; L230-A243 HydrophobicContact CD2-CB 4.1Å; L230-A243 HydrophobicContact CG-CB 4.12Å; L239-A243 WeakPolarHBondContact O-CB 3.49Å; L239-A243 PolarHBondContact O-N 3.43Å; I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 3.47Å; A243-L247 PolarHBondContact O-N 2.65Å; A243-L247 VanDerWaalsContact O-N 3.13Å
244M93.9Very high90.1Very high0 Ų023.2 Ų23.20%014%0.136CC..Hα-helixtrans-72.2-43.4179-16266.3-148.900112.4L230 L240 I241 L246 L247 N248 M272 L289 Q292 L293 Y296L230-M244 HydrophobicContact CD1-SD 4.12Å; L230-M244 HydrophobicContact CD2-CB 4.19Å; L230-M244 HydrophobicContact CD2-SD 4.42Å; L240-M244 VanDerWaalsContact O-CB 3.31Å; L240-M244 WeakPolarHBondContact O-CB 3.09Å; L240-M244 PolarHBondContact O-N 3.28Å; I241-M244 PolarHBondContact O-N 3.35Å; M244-L246 VanDerWaalsContact C-N 3.32Å; M244-L246 PolarHBondContact O-N 2.62Å; M244-L247 PolarHBondContact O-N 2.94Å; M244-N248 WeakPolarHBondContact O-CB 3.14Å; M244-N248 PolarHBondContact O-N 2.7Å; M244-M272 HydrophobicContact CE-CE 3.56Å; M244-M272 HydrophobicContact SD-CE 3.53Å; M244-M272 VanDerWaalsContact SD-CE 3.53Å; M244-L289 HydrophobicContact CB-CD1 4.47Å; M244-Q292 HydrophobicContact CB-CB 4Å; M244-Q292 HydrophobicContact CG-CB 3.55Å; M244-L293 HydrophobicContact CE-CD2 4.25Å; M244-L293 HydrophobicContact CG-CD2 4.34Å; M244-L293 HydrophobicContact SD-CD2 3.75Å; M244-Y296 HydrophobicContact CE-CD2 4.04Å; M244-Y296 HydrophobicContact CE-CG 3.78Å
245T93.1Very high90.7Very high5 Ų519.8 Ų19.83%0.03111%0.106CC..Hα-helixtrans-63.8-37.1175.4-50.90000111.3L192 I241 N248 K249 Q292 L1412L192-T245 HydrophobicContact CD1-CG2 4.16Å; L192-T245 HydrophobicContact CD2-CG2 4.48Å; I241-T245 PolarHBondContact O-N 3.39Å; I241-T245 PolarHBondContact O-OG1 2.98Å; T245-N248 PolarHBondContact O-N 3.02Å; T245-K249 HydrophobicContact CG2-CG 4.46Å; T245-K249 WeakPolarHBondContact O-CB 3.37Å; T245-K249 WeakPolarHBondContact O-CG 3.37Å; T245-K249 PolarHBondContact O-N 3.22Å; T245-Q292 VanDerWaalsContact OG1-CD 3.32Å; T245-Q292 PolarHBondContact OG1-NE2 2.9Å; T245-L1412 HydrophobicContact CG2-CD2 4.47Å
246L94.5Very high91.1Very high0 Ų019.1 Ų19.10%010%0.101CC..Hα-helixtrans-64.9-43.2174.2-179.959.5000111.9L188 Q191 L192 V195 F205 L226 Y242 M244 T250L188-L246 HydrophobicContact CD2-CD2 4.02Å; Q191-L246 HydrophobicContact CB-CD1 4.14Å; Q191-L246 HydrophobicContact CB-CD2 3.8Å; L192-L246 HydrophobicContact CD1-CB 4.17Å; L192-L246 HydrophobicContact CD1-CD1 4.23Å; V195-L246 HydrophobicContact CB-CD1 4.48Å; V195-L246 HydrophobicContact CG2-CD1 4.08Å; F205-L246 HydrophobicContact CE1-CD1 3.95Å; F205-L246 HydrophobicContact CE1-CD2 4.19Å; F205-L246 HydrophobicContact CE1-CG 4.05Å; F205-L246 HydrophobicContact CZ-CD1 4.4Å; F205-L246 HydrophobicContact CZ-CD2 3.99Å; F205-L246 HydrophobicContact CZ-CG 4.36Å; L226-L246 HydrophobicContact CD1-CD2 4.27Å; L226-L246 HydrophobicContact CD2-CD2 4.29Å; Y242-L246 WeakPolarHBondContact O-CB 3.29Å; Y242-L246 PolarHBondContact O-N 3.46Å; M244-L246 VanDerWaalsContact C-N 3.32Å; M244-L246 PolarHBondContact O-N 2.62Å; L246-T250 VanDerWaalsContact O-CB 3.29Å; L246-T250 WeakPolarHBondContact O-CB 3.41Å; L246-T250 PolarHBondContact O-N 3.35Å; L246-T250 PolarHBondContact O-OG1 3.47Å
247L95Very high91.2Very high1 Ų116.6 Ų16.61%0.0059%0.087CC..Hα-helixtrans-61-48.9172.2-76.7172.5000111.4W223 L226 L230 A243 M244 T250 L251 L267 M272W223-L247 HydrophobicContact CE3-CD2 3.92Å; W223-L247 HydrophobicContact CZ3-CD2 4.47Å; L226-L247 HydrophobicContact CB-CD1 4.48Å; L226-L247 HydrophobicContact CD1-CD2 3.84Å; L226-L247 HydrophobicContact CD1-CG 3.92Å; L230-L247 HydrophobicContact CD1-CD1 3.74Å; A243-L247 PolarHBondContact O-N 2.65Å; A243-L247 VanDerWaalsContact O-N 3.13Å; M244-L247 PolarHBondContact O-N 2.94Å; L247-T250 PolarHBondContact O-N 3.46Å; L247-L251 WeakPolarHBondContact O-CB 3.33Å; L247-L251 WeakPolarHBondContact O-CG 3.19Å; L247-L251 PolarHBondContact O-N 2.91Å; L247-L267 HydrophobicContact CD1-CD2 4.45Å; L247-L267 HydrophobicContact CD2-CD1 4.21Å; L247-L267 HydrophobicContact CD2-CD2 4.04Å; L247-M272 HydrophobicContact CD1-CE 4.03Å
248N93.5Very high91.1Very high13 Ų1314.1 Ų14.17%0.077%0.074CC..Hα-helixtrans-62-46.8-179-75.3-20.5000112.4M244 T245 L251 N252 Q292 L295M244-N248 WeakPolarHBondContact O-CB 3.14Å; M244-N248 PolarHBondContact O-N 2.7Å; T245-N248 PolarHBondContact O-N 3.02Å; N248-L251 PolarHBondContact O-N 3.45Å; N248-N252 VanDerWaalsContact O-CB 3.27Å; N248-N252 WeakPolarHBondContact O-CB 3.36Å; N248-N252 PolarHBondContact O-N 2.95Å; N248-Q292 PolarHBondContact ND2-O 3.14Å; N248-Q292 PolarHBondContact ND2-OE1 3.15Å; N248-L295 HydrophobicContact CB-CD2 4.21Å
249K91.8Very high91Very high22 Ų2211.4 Ų11.410%0.0966%0.062CC..Hα-helixtrans-61-45.4174.8-73.4-156.7-176.9-161.60111.7L192 V195 D196 T245 N252 S253 S1415L192-K249 HydrophobicContact CD1-CD 3.81Å; L192-K249 HydrophobicContact CD1-CG 4.24Å; L192-K249 HydrophobicContact CG-CD 4.45Å; V195-K249 HydrophobicContact CG1-CB 4.1Å; D196-K249 HydrophobicContact CB-CD 4.41Å; D196-K249 IonicContact OD1-NZ 3.73Å; D196-K249 PolarHBondContact OD1-NZ 3.04Å; D196-K249 IonicContact OD2-NZ 3.36Å; D196-K249 PolarHBondContact OD2-NZ 2.99Å; T245-K249 HydrophobicContact CG2-CG 4.46Å; T245-K249 WeakPolarHBondContact O-CB 3.37Å; T245-K249 WeakPolarHBondContact O-CG 3.37Å; T245-K249 PolarHBondContact O-N 3.22Å; K249-N252 PolarHBondContact O-N 3.4Å; K249-S253 WeakPolarHBondContact O-CB 3.46Å; K249-S253 PolarHBondContact O-N 2.88Å; K249-S253 VanDerWaalsContact O-N 3.09Å; K249-S253 PolarHBondContact O-OG 3.1Å; K249-S1415 WeakPolarHBondContact CE-OG 3.47Å; K249-S1415 PolarHBondContact NZ-OG 3.4Å
250T93.7Very high90.9Very high2 Ų210.8 Ų10.81%0.0126%0.058CC..Hα-helixtrans-60.4-50.4179.1-55.70000110.8A202 F205 V206 W223 L246 L247 N252 S253 I254A202-T250 HydrophobicContact CB-CG2 4.33Å; F205-T250 HydrophobicContact CD1-CG2 4.04Å; V206-T250 HydrophobicContact CG2-CG2 3.78Å; W223-T250 HydrophobicContact CH2-CG2 3.95Å; W223-T250 HydrophobicContact CZ3-CG2 4.42Å; L246-T250 VanDerWaalsContact O-CB 3.29Å; L246-T250 WeakPolarHBondContact O-CB 3.41Å; L246-T250 PolarHBondContact O-N 3.35Å; L246-T250 PolarHBondContact O-OG1 3.47Å; L247-T250 PolarHBondContact O-N 3.46Å; T250-N252 PolarHBondContact O-N 3.01Å; T250-S253 PolarHBondContact O-N 3.1Å; T250-I254 WeakPolarHBondContact O-CG1 3.23Å; T250-I254 PolarHBondContact O-N 3.23Å
251L92.7Very high90.8Very high4 Ų410.2 Ų10.22%0.0216%0.055CC..Hα-helixtrans-60.1-46178.3-74.1173.4000112.1L247 N248 S253 I254 F260 V263 T264 L267 Y296 R326L247-L251 WeakPolarHBondContact O-CB 3.33Å; L247-L251 WeakPolarHBondContact O-CG 3.19Å; L247-L251 PolarHBondContact O-N 2.91Å; N248-L251 PolarHBondContact O-N 3.45Å; L251-S253 VanDerWaalsContact C-N 3.29Å; L251-S253 PolarHBondContact O-N 2.78Å; L251-I254 HydrophobicContact CD2-CD1 4.17Å; L251-I254 PolarHBondContact O-N 3.19Å; L251-F260 HydrophobicContact CB-CD2 4.47Å; L251-F260 HydrophobicContact CB-CE2 4.2Å; L251-F260 HydrophobicContact CD2-CD2 4.15Å; L251-F260 HydrophobicContact CD2-CE2 4.21Å; L251-V263 HydrophobicContact CD2-CB 4.15Å; L251-V263 HydrophobicContact CD2-CG1 3.67Å; L251-T264 HydrophobicContact CD1-CG2 4.15Å; L251-T264 HydrophobicContact CD2-CG2 3.68Å; L251-L267 HydrophobicContact CD1-CD1 4.32Å; L251-Y296 HydrophobicContact CD1-CD2 3.81Å; L251-Y296 HydrophobicContact CD1-CE2 3.86Å; L251-R326 PolarHBondContact O-NH2 2.64Å
252N89.8Confident90.7Very high46 Ų4612.2 Ų12.225%0.2467%0.066CC..Hα-helixtrans-62.4-36.6-178.1-15947.7000112.5N248 K249 T250 S320 R322 R326N248-N252 VanDerWaalsContact O-CB 3.27Å; N248-N252 WeakPolarHBondContact O-CB 3.36Å; N248-N252 PolarHBondContact O-N 2.95Å; K249-N252 PolarHBondContact O-N 3.4Å; T250-N252 PolarHBondContact O-N 3.01Å; N252-S320 PolarHBondContact ND2-O 3.2Å; N252-R322 WeakPolarHBondContact OD1-CB 3.47Å; N252-R322 PolarHBondContact OD1-N 2.9Å; N252-R326 PolarHBondContact O-NH2 2.82Å
253S88Confident90.6Very high32 Ų3211.1 Ų11.122%0.2246%0.062CC..Hα-helixtrans-83.6-9.3-179.8-65.10000115.3K249 T250 L251K249-S253 WeakPolarHBondContact O-CB 3.46Å; K249-S253 PolarHBondContact O-N 2.88Å; K249-S253 VanDerWaalsContact O-N 3.09Å; K249-S253 PolarHBondContact O-OG 3.1Å; T250-S253 PolarHBondContact O-N 3.1Å; L251-S253 VanDerWaalsContact C-N 3.29Å; L251-S253 PolarHBondContact O-N 2.78Å
254I89.6Confident90.5Very high0 Ų011.1 Ų11.10%06%0.062CC..  trans-61.3127.6170.8-72166.2000109.5M203 V206 T250 L251 D256 T259 F260 V263 R326M203-I254 HydrophobicContact SD-CG1 4.24Å; M203-I254 HydrophobicContact SD-CG2 4.34Å; V206-I254 HydrophobicContact CG2-CD1 4.41Å; T250-I254 WeakPolarHBondContact O-CG1 3.23Å; T250-I254 PolarHBondContact O-N 3.23Å; L251-I254 HydrophobicContact CD2-CD1 4.17Å; L251-I254 PolarHBondContact O-N 3.19Å; I254-D256 VanDerWaalsContact CG2-O 3.32Å; I254-D256 WeakPolarHBondContact CG2-O 3.32Å; I254-T259 HydrophobicContact CD1-CG2 4.26Å; I254-T259 HydrophobicContact CG1-CG2 4.47Å; I254-T259 HydrophobicContact CG2-CG2 3.98Å; I254-F260 HydrophobicContact CG2-CB 4.18Å; I254-V263 HydrophobicContact CD1-CB 4.4Å; I254-V263 HydrophobicContact CD1-CG2 4.06Å; I254-R326 WeakPolarHBondContact O-CD 3.43Å; I254-R326 PolarHBondContact O-NE 2.69Å
255P84.6Confident90.2Very high19 Ų1913.1 Ų13.112%0.1237%0.073CC..  trans-83.1-32.2-173.631.9-34.9000114.1M203 F332M203-P255 HydrophobicContact CG-CG 4.29Å; M203-P255 HydrophobicContact SD-CG 4.47Å; P255-F332 HydrophobicContact CB-CD1 4.39Å; P255-F332 HydrophobicContact CB-CD2 4.05Å; P255-F332 HydrophobicContact CB-CE1 4.04Å; P255-F332 HydrophobicContact CB-CE2 3.67Å; P255-F332 HydrophobicContact CB-CG 4.4Å; P255-F332 HydrophobicContact CB-CZ 3.68Å; P255-F332 HydrophobicContact CG-CD1 4.1Å; P255-F332 HydrophobicContact CG-CE1 3.62Å; P255-F332 HydrophobicContact CG-CE2 4.19Å; P255-F332 HydrophobicContact CG-CZ 3.68Å
256D84.9Confident90.1Very high3 Ų314 Ų142%0.0168%0.079CC..BIsolated β-bridgetrans-108.9147.9-173.774.4108.6000113.7I254 T259 F260 M327 R329 F332I254-D256 VanDerWaalsContact CG2-O 3.32Å; I254-D256 WeakPolarHBondContact CG2-O 3.32Å; D256-T259 WeakPolarHBondContact OD1-CB 3.18Å; D256-T259 PolarHBondContact OD1-N 3.14Å; D256-T259 PolarHBondContact OD1-OG1 3.37Å; D256-T259 VanDerWaalsContact OD2-CB 3.23Å; D256-T259 WeakPolarHBondContact OD2-CB 3.18Å; D256-T259 PolarHBondContact OD2-OG1 3.39Å; D256-F260 PolarHBondContact O-N 2.72Å; D256-M327 CarbonylContact C-O 3.51Å; D256-M327 WeakPolarHBondContact CA-O 2.88Å; D256-R329 HydrophobicContact CB-CB 4.33Å; D256-R329 WeakPolarHBondContact OD1-CB 3.45Å; D256-R329 IonicContact OD1-CZ 3.49Å; D256-R329 IonicContact OD1-NE 2.89Å; D256-R329 PolarHBondContact OD1-NE 3.33Å; D256-R329 VanDerWaalsContact OD1-NE 3.12Å; D256-R329 IonicContact OD1-NH2 2.72Å; D256-F332 HydrophobicContact CB-CB 4.05Å; D256-F332 HydrophobicContact CB-CD1 4.37Å; D256-F332 HydrophobicContact CB-CG 4.36Å
257Q86.5Confident90Very high16 Ų1614 Ų148%0.0758%0.079CC..Hα-helixtrans-72.7-34.8-171.3-152.4-177.73300112.2F260 Y261 E303 R326 M327 F369Q257-F260 PolarHBondContact O-N 2.88Å; Q257-Y261 HydrophobicContact CG-CD2 4.06Å; Q257-Y261 HydrophobicContact CG-CE2 3.72Å; Q257-Y261 VanDerWaalsContact O-CD2 3.25Å; Q257-Y261 WeakPolarHBondContact O-CD2 3.24Å; Q257-Y261 PolarHBondContact O-N 3.28Å; Q257-E303 PolarHBondContact NE2-OE2 2.92Å; Q257-R326 HydrophobicContact CB-CB 3.8Å; Q257-R326 HydrophobicContact CG-CB 4.15Å; Q257-M327 PolarHBondContact N-O 3.29Å; Q257-F369 HydrophobicContact CB-CE2 4.45Å; Q257-F369 VanDerWaalsContact OE1-CE2 3.28Å
258D86.3Confident89.8Confident11 Ų1118.1 Ų18.16%0.05910%0.098CC..Hα-helixtrans-64.1-45.3177.5-52.6-113.5000110.9F260 Y261 D262 S328 R329D258-F260 VanDerWaalsContact C-N 3.34Å; D258-F260 PolarHBondContact O-N 2.86Å; D258-Y261 PolarHBondContact O-N 2.93Å; D258-D262 PolarHBondContact O-N 3.09Å; D258-S328 WeakPolarHBondContact OD2-CA 3.28Å; D258-S328 WeakPolarHBondContact OD2-CB 3.19Å; D258-R329 HydrophobicContact CB-CB 4Å; D258-R329 PolarHBondContact OD2-N 3.48Å
259T87.1Confident89.6Confident6 Ų623.1 Ų23.14%0.03712%0.121CC..Hα-helixtrans-65.6-36.1176.4-52.40000112.2M203 I254 D256 Y261 D262 V263 R329M203-T259 HydrophobicContact CE-CG2 4Å; M203-T259 HydrophobicContact SD-CG2 4.01Å; I254-T259 HydrophobicContact CD1-CG2 4.26Å; I254-T259 HydrophobicContact CG1-CG2 4.47Å; I254-T259 HydrophobicContact CG2-CG2 3.98Å; D256-T259 WeakPolarHBondContact OD1-CB 3.18Å; D256-T259 PolarHBondContact OD1-N 3.14Å; D256-T259 PolarHBondContact OD1-OG1 3.37Å; D256-T259 VanDerWaalsContact OD2-CB 3.23Å; D256-T259 WeakPolarHBondContact OD2-CB 3.18Å; D256-T259 PolarHBondContact OD2-OG1 3.39Å; T259-Y261 VanDerWaalsContact C-N 3.31Å; T259-Y261 PolarHBondContact O-N 2.84Å; T259-D262 PolarHBondContact O-N 3.03Å; T259-V263 HydrophobicContact CG2-CG2 4.47Å; T259-V263 WeakPolarHBondContact O-CG2 3.48Å; T259-V263 PolarHBondContact O-N 3.05Å; T259-R329 PolarHBondContact OG1-NE 2.99Å; T259-R329 PolarHBondContact OG1-NH2 3.07Å
260F91.4Very high89.5Confident1 Ų124 Ų240%0.00413%0.126CC..Hα-helixtrans-61.2-42.3174.7175.5-89.4000111.2L251 I254 D256 Q257 D258 T264 L300 E303L251-F260 HydrophobicContact CB-CD2 4.47Å; L251-F260 HydrophobicContact CB-CE2 4.2Å; L251-F260 HydrophobicContact CD2-CD2 4.15Å; L251-F260 HydrophobicContact CD2-CE2 4.21Å; I254-F260 HydrophobicContact CG2-CB 4.18Å; D256-F260 PolarHBondContact O-N 2.72Å; Q257-F260 PolarHBondContact O-N 2.88Å; D258-F260 VanDerWaalsContact C-N 3.34Å; D258-F260 PolarHBondContact O-N 2.86Å; F260-T264 HydrophobicContact CE1-CG2 4.17Å; F260-T264 HydrophobicContact CE2-CG2 4.29Å; F260-T264 HydrophobicContact CZ-CG2 4.03Å; F260-T264 WeakPolarHBondContact O-CB 3.46Å; F260-T264 WeakPolarHBondContact O-CG2 3.39Å; F260-T264 PolarHBondContact O-N 3.37Å; F260-T264 PolarHBondContact O-OG1 3Å; F260-L300 HydrophobicContact CE1-CD2 4.31Å; F260-L300 HydrophobicContact CZ-CD2 4.32Å; F260-E303 HydrophobicContact CD1-CB 4.2Å; F260-E303 HydrophobicContact CD1-CG 4.02Å; F260-E303 HydrophobicContact CE1-CB 3.75Å; F260-E303 HydrophobicContact CE1-CG 3.76Å; F260-E303 HydrophobicContact CZ-CB 4.41Å; F260-E303 HydrophobicContact CZ-CG 4.12Å
261Y91Very high89.3Confident0 Ų024.6 Ų24.60%013%0.133CC..Hα-helixtrans-73.2-37.2175.5-73.6-55.2000113.7Q257 D258 T259 V263 T264 D265 E303 D304 R368 F369Q257-Y261 HydrophobicContact CG-CD2 4.06Å; Q257-Y261 HydrophobicContact CG-CE2 3.72Å; Q257-Y261 VanDerWaalsContact O-CD2 3.25Å; Q257-Y261 WeakPolarHBondContact O-CD2 3.24Å; Q257-Y261 PolarHBondContact O-N 3.28Å; D258-Y261 PolarHBondContact O-N 2.93Å; T259-Y261 VanDerWaalsContact C-N 3.31Å; T259-Y261 PolarHBondContact O-N 2.84Å; Y261-V263 VanDerWaalsContact C-N 3.31Å; Y261-V263 PolarHBondContact O-N 3Å; Y261-T264 WeakPolarHBondContact CA-OG1 3.42Å; Y261-T264 PolarHBondContact O-N 2.91Å; Y261-D265 WeakPolarHBondContact O-CB 3.41Å; Y261-D265 VanDerWaalsContact O-CG 3.32Å; Y261-D265 PolarHBondContact O-N 3.09Å; Y261-E303 PolarHBondContact OH-O 2.94Å; Y261-D304 PolarHBondContact OH-N 2.93Å; Y261-R368 HydrophobicContact CD1-CB 3.98Å; Y261-R368 HydrophobicContact CD1-CG 3.91Å; Y261-R368 HydrophobicContact CE1-CB 4.19Å; Y261-R368 HydrophobicContact CE1-CG 3.66Å; Y261-R368 HydrophobicContact CG-CB 4.47Å; Y261-F369 HydrophobicContact CD2-CB 3.91Å; Y261-F369 HydrophobicContact CD2-CD2 4.14Å; Y261-F369 HydrophobicContact CE2-CB 4.37Å; Y261-F369 HydrophobicContact CE2-CD2 4.3Å
262D88.5Confident89.3Confident50 Ų5024.4 Ų24.427%0.26713%0.132SC..Hα-helixtrans-59.5-41.2174.9-74.8-32.3000111.4D258 T259 C266 R329D258-D262 PolarHBondContact O-N 3.09Å; T259-D262 PolarHBondContact O-N 3.03Å; D262-C266 WeakPolarHBondContact O-CB 3.38Å; D262-C266 PolarHBondContact O-N 3.04Å; D262-R329 IonicContact OD2-CZ 3.91Å; D262-R329 IonicContact OD2-NH1 2.79Å; D262-R329 PolarHBondContact OD2-NH1 2.96Å; D262-R329 VanDerWaalsContact OD2-NH1 3.13Å; D262-R329 IonicContact OD2-NH2 3.13Å; D262-R329 PolarHBondContact OD2-NH2 3.03Å
263V91.7Very high89.2Confident2 Ų225.7 Ų25.71%0.01214%0.137CC..Hα-helixtrans-72.2-45.2175.9175.30000111.8V206 W223 L251 I254 T259 Y261 C266 L267V206-V263 HydrophobicContact CG1-CG2 4.23Å; V206-V263 HydrophobicContact CG2-CG2 4.47Å; W223-V263 HydrophobicContact CZ2-CG1 4.08Å; W223-V263 HydrophobicContact CZ2-CG2 4.15Å; L251-V263 HydrophobicContact CD2-CB 4.15Å; L251-V263 HydrophobicContact CD2-CG1 3.67Å; I254-V263 HydrophobicContact CD1-CB 4.4Å; I254-V263 HydrophobicContact CD1-CG2 4.06Å; T259-V263 HydrophobicContact CG2-CG2 4.47Å; T259-V263 WeakPolarHBondContact O-CG2 3.48Å; T259-V263 PolarHBondContact O-N 3.05Å; Y261-V263 VanDerWaalsContact C-N 3.31Å; Y261-V263 PolarHBondContact O-N 3Å; V263-C266 WeakPolarHBondContact O-CB 3.17Å; V263-C266 PolarHBondContact O-N 3.04Å; V263-L267 HydrophobicContact CG1-CD1 4.15Å; V263-L267 WeakPolarHBondContact O-CG 3.46Å; V263-L267 PolarHBondContact O-N 2.94Å
264T92.1Very high89.4Confident1 Ų131.8 Ų31.81%0.00616%0.159CC..Hα-helixtrans-73.2-36.5-176.450.60000113.5L251 F260 Y261 C266 L267 E268 L300L251-T264 HydrophobicContact CD1-CG2 4.15Å; L251-T264 HydrophobicContact CD2-CG2 3.68Å; F260-T264 HydrophobicContact CE1-CG2 4.17Å; F260-T264 HydrophobicContact CE2-CG2 4.29Å; F260-T264 HydrophobicContact CZ-CG2 4.03Å; F260-T264 WeakPolarHBondContact O-CB 3.46Å; F260-T264 WeakPolarHBondContact O-CG2 3.39Å; F260-T264 PolarHBondContact O-N 3.37Å; F260-T264 PolarHBondContact O-OG1 3Å; Y261-T264 WeakPolarHBondContact CA-OG1 3.42Å; Y261-T264 PolarHBondContact O-N 2.91Å; T264-C266 PolarHBondContact O-N 3.15Å; T264-L267 PolarHBondContact O-N 3.48Å; T264-E268 WeakPolarHBondContact O-CB 3.46Å; T264-E268 PolarHBondContact O-N 3.09Å; T264-L300 HydrophobicContact CG2-CD2 3.7Å
265D89.4Confident89.4Confident41 Ų4132.2 Ų32.222%0.21916%0.161CC..Hα-helixtrans-59.5-38169.3-75.8-13.2000110.4Y261 E268 E269 S366Y261-D265 WeakPolarHBondContact O-CB 3.41Å; Y261-D265 VanDerWaalsContact O-CG 3.32Å; Y261-D265 PolarHBondContact O-N 3.09Å; D265-E268 PolarHBondContact O-N 2.98Å; D265-E269 PolarHBondContact O-N 3.2Å; D265-S366 WeakPolarHBondContact OD2-CB 3.27Å; D265-S366 PolarHBondContact OD2-OG 3.07Å
266C90.2Very high89.7Confident25 Ų2531.3 Ų31.317%0.16916%0.155CC..Hα-helixtrans-65.2-44176.5-165.10000112.4D262 V263 T264 M270D262-C266 WeakPolarHBondContact O-CB 3.38Å; D262-C266 PolarHBondContact O-N 3.04Å; V263-C266 WeakPolarHBondContact O-CB 3.17Å; V263-C266 PolarHBondContact O-N 3.04Å; T264-C266 PolarHBondContact O-N 3.15Å; C266-M270 WeakPolarHBondContact O-CE 3.41Å; C266-M270 WeakPolarHBondContact O-CG 3.42Å; C266-M270 PolarHBondContact O-N 3.29Å
267L93.2Very high89.9Confident0 Ų037.2 Ų37.20%018%0.183CC..Hα-helixtrans-63.1-42.5174.4-66.5168.9000111.5W223 I227 L247 L251 V263 T264 M270 G271 M272 Y296W223-L267 HydrophobicContact CB-CD2 3.73Å; W223-L267 HydrophobicContact CG-CD2 4.11Å; I227-L267 HydrophobicContact CD1-CD2 3.89Å; I227-L267 HydrophobicContact CG1-CD2 4.24Å; L247-L267 HydrophobicContact CD1-CD2 4.45Å; L247-L267 HydrophobicContact CD2-CD1 4.21Å; L247-L267 HydrophobicContact CD2-CD2 4.04Å; L251-L267 HydrophobicContact CD1-CD1 4.32Å; V263-L267 HydrophobicContact CG1-CD1 4.15Å; V263-L267 WeakPolarHBondContact O-CG 3.46Å; V263-L267 PolarHBondContact O-N 2.94Å; T264-L267 PolarHBondContact O-N 3.48Å; L267-M270 HydrophobicContact CD2-CE 4.25Å; L267-M270 PolarHBondContact O-N 2.92Å; L267-G271 PolarHBondContact O-N 2.92Å; L267-M272 HydrophobicContact CB-CB 4.05Å; L267-M272 HydrophobicContact CB-CG 4.36Å; L267-M272 WeakPolarHBondContact O-CB 3.14Å; L267-M272 PolarHBondContact O-N 3.33Å; L267-Y296 HydrophobicContact CD1-CE2 4.03Å
268E90.1Very high90Very high87 Ų8738.9 Ų38.941%0.40720%0.196SC..Hα-helixtrans-65.6-42.6178-162.8178.1136.900111.9T264 D265 M270 G271 R368T264-E268 WeakPolarHBondContact O-CB 3.46Å; T264-E268 PolarHBondContact O-N 3.09Å; D265-E268 PolarHBondContact O-N 2.98Å; E268-M270 PolarHBondContact O-N 3.26Å; E268-G271 WeakPolarHBondContact O-CA 3.48Å; E268-G271 PolarHBondContact O-N 3.41Å; E268-R368 IonicContact OE2-CZ 3.61Å; E268-R368 IonicContact OE2-NH1 2.73Å; E268-R368 PolarHBondContact OE2-NH1 3.12Å
269E88.4Confident90.1Very high118 Ų11838.9 Ų38.955%0.55120%0.195SC*.Hα-helixtrans-62.1-27.9174.5-78.3-161-174.600113.2R221 D265 G271R221-E269 IonicContact CZ-OE2 2.78Å; R221-E269 IonicContact NH1-OE2 3.54Å; R221-E269 PolarHBondContact NH1-OE2 3.19Å; R221-E269 IonicContact NH2-OE2 3.76Å; R221-E269 PolarHBondContact NH2-OE2 3.13Å; R221-E269 VanDerWaalsContact NH2-OE2 3.13Å; D265-E269 PolarHBondContact O-N 3.2Å; E269-G271 VanDerWaalsContact C-N 3.27Å
270M89.6Confident90.1Very high39 Ų3941.5 Ų41.519%0.19221%0.209CC..THydrogen-bonded Turntrans-83.71172-64.4-174.9-70.500113.8R221 P222 W223 I227 C266 L267 E268R221-M270 HydrophobicContact CB-SD 3.95Å; P222-M270 WeakPolarHBondContact O-CE 3.36Å; W223-M270 HydrophobicContact CB-CE 3.79Å; I227-M270 HydrophobicContact CG1-CB 4.22Å; I227-M270 HydrophobicContact CG1-CE 3.77Å; I227-M270 HydrophobicContact CG1-SD 4.27Å; I227-M270 HydrophobicContact CG2-CB 4.31Å; C266-M270 WeakPolarHBondContact O-CE 3.41Å; C266-M270 WeakPolarHBondContact O-CG 3.42Å; C266-M270 PolarHBondContact O-N 3.29Å; L267-M270 HydrophobicContact CD2-CE 4.25Å; L267-M270 PolarHBondContact O-N 2.92Å; E268-M270 PolarHBondContact O-N 3.26Å
271G89.9Confident89.9Confident16 Ų1646.4 Ų46.417%0.16524%0.239CC..THydrogen-bonded Turntrans90.920.6173.200000115.1L267 E268 E269 Q273 K274 I275L267-G271 PolarHBondContact O-N 2.92Å; E268-G271 WeakPolarHBondContact O-CA 3.48Å; E268-G271 PolarHBondContact O-N 3.41Å; E269-G271 VanDerWaalsContact C-N 3.27Å; G271-Q273 PolarHBondContact O-N 3.44Å; G271-Q273 VanDerWaalsContact O-N 3.12Å; G271-K274 WeakPolarHBondContact O-CB 3.29Å; G271-K274 PolarHBondContact O-N 3Å; G271-I275 PolarHBondContact O-N 3.48Å
272M92.5Very high89.6Confident0 Ų049.6 Ų49.60%025%0.253CS..Hα-helixtrans-48.2-40.9177.8-17362.3167.600112.8I227 L230 M244 L247 L267 K274 I275 V276 Y296I227-M272 HydrophobicContact CD1-CB 4.26Å; I227-M272 HydrophobicContact CD1-SD 3.71Å; L230-M272 HydrophobicContact CD1-CE 4.12Å; L230-M272 HydrophobicContact CD1-SD 4.34Å; M244-M272 HydrophobicContact CE-CE 3.56Å; M244-M272 HydrophobicContact SD-CE 3.53Å; M244-M272 VanDerWaalsContact SD-CE 3.53Å; L247-M272 HydrophobicContact CD1-CE 4.03Å; L267-M272 HydrophobicContact CB-CB 4.05Å; L267-M272 HydrophobicContact CB-CG 4.36Å; L267-M272 WeakPolarHBondContact O-CB 3.14Å; L267-M272 PolarHBondContact O-N 3.33Å; M272-K274 PolarHBondContact O-N 3.09Å; M272-I275 WeakPolarHBondContact O-CB 3.09Å; M272-I275 PolarHBondContact O-N 2.84Å; M272-V276 HydrophobicContact CE-CG2 4.34Å; M272-V276 HydrophobicContact CG-CG2 4.26Å; M272-V276 WeakPolarHBondContact O-CG2 3.4Å; M272-V276 PolarHBondContact O-N 2.75Å; M272-V276 HydrophobicContact SD-CG2 4.5Å; M272-Y296 HydrophobicContact CE-CD2 4.35Å; M272-Y296 HydrophobicContact CE-CE2 4.31Å; M272-Y296 HydrophobicContact CE-CG 4.49Å; M272-Y296 HydrophobicContact CG-CE1 3.84Å; M272-Y296 HydrophobicContact CG-CE2 4.33Å
273Q89.5Confident88.9Confident73 Ų7357.1 Ų57.134%0.34128%0.283SS..Hα-helixtrans-56.1-35.8176.6-162.860.83700113.7G271 Q277 E297G271-Q273 PolarHBondContact O-N 3.44Å; G271-Q273 VanDerWaalsContact O-N 3.12Å; Q273-Q277 VanDerWaalsContact O-CB 3.28Å; Q273-Q277 WeakPolarHBondContact O-CB 3.26Å; Q273-Q277 PolarHBondContact O-N 2.84Å; Q273-E297 PolarHBondContact NE2-OE1 3.01Å
274K90.3Very high88.1Confident160 Ų16064.4 Ų64.470%0.69632%0.322SS*.Hα-helixtrans-74.2-34.9177.4-61173.9-177.1168.10111.4G271 M272 C278G271-K274 WeakPolarHBondContact O-CB 3.29Å; G271-K274 PolarHBondContact O-N 3Å; M272-K274 PolarHBondContact O-N 3.09Å; K274-C278 WeakPolarHBondContact O-CB 3.11Å; K274-C278 PolarHBondContact O-N 3.26Å
275I91.4Very high87.6Confident8 Ų866.1 Ų66.14%0.04133%0.333CS..Hα-helixtrans-69.1-47.6177.7-62.9168.3000109.8I227 L230 N231 G271 M272 C278 H279I227-I275 HydrophobicContact CD1-CD1 4.36Å; I227-I275 HydrophobicContact CG2-CD1 3.81Å; L230-I275 HydrophobicContact CB-CG2 4.04Å; N231-I275 HydrophobicContact CB-CD1 3.8Å; N231-I275 HydrophobicContact CB-CG1 4.19Å; G271-I275 PolarHBondContact O-N 3.48Å; M272-I275 WeakPolarHBondContact O-CB 3.09Å; M272-I275 PolarHBondContact O-N 2.84Å; I275-C278 PolarHBondContact O-N 3.48Å; I275-H279 PolarHBondContact O-CD2 3.03Å; I275-H279 PolarHBondContact O-N 2.82Å
276V90.1Very high87.5Confident1 Ų166.6 Ų66.61%0.00634%0.336CS..Hα-helixtrans-55.4-52.5172.9173.20000110.5M272 C278 H279 L280 L293 Y296 E297M272-V276 HydrophobicContact CE-CG2 4.34Å; M272-V276 HydrophobicContact CG-CG2 4.26Å; M272-V276 WeakPolarHBondContact O-CG2 3.4Å; M272-V276 PolarHBondContact O-N 2.75Å; M272-V276 HydrophobicContact SD-CG2 4.5Å; V276-C278 PolarHBondContact O-N 2.97Å; V276-H279 PolarHBondContact O-N 2.87Å; V276-L280 HydrophobicContact CG1-CD1 3.72Å; V276-L280 HydrophobicContact CG1-CG 4.44Å; V276-L280 WeakPolarHBondContact O-CB 3.38Å; V276-L280 WeakPolarHBondContact O-CG 3.29Å; V276-L280 PolarHBondContact O-N 2.99Å; V276-L293 HydrophobicContact CG2-CD2 3.94Å; V276-Y296 HydrophobicContact CG2-CD1 4.11Å; V276-Y296 HydrophobicContact CG2-CE1 4.32Å; V276-E297 HydrophobicContact CG1-CG 3.92Å
277Q89.2Confident87.3Confident126 Ų12670.4 Ų70.459%0.58936%0.36SS*.Hα-helixtrans-63.2-39.3178.3-170.5178.33200112.6Q273 T281Q273-Q277 VanDerWaalsContact O-CB 3.28Å; Q273-Q277 WeakPolarHBondContact O-CB 3.26Å; Q273-Q277 PolarHBondContact O-N 2.84Å; Q277-T281 HydrophobicContact CG-CG2 4.33Å; Q277-T281 WeakPolarHBondContact O-CB 3.43Å; Q277-T281 VanDerWaalsContact O-CG2 3.27Å; Q277-T281 WeakPolarHBondContact O-CG2 3.46Å; Q277-T281 PolarHBondContact O-N 2.92Å; Q277-T281 PolarHBondContact O-OG1 3Å
278C89.4Confident86.9Confident51 Ų5175 Ų7535%0.34538%0.382SS..Hα-helixtrans-63.2-47.3178.8-179.50000111.6K274 I275 V276 T281 K282K274-C278 WeakPolarHBondContact O-CB 3.11Å; K274-C278 PolarHBondContact O-N 3.26Å; I275-C278 PolarHBondContact O-N 3.48Å; V276-C278 PolarHBondContact O-N 2.97Å; C278-T281 PolarHBondContact O-OG1 3.19Å; C278-K282 WeakPolarHBondContact O-CE 3.25Å; C278-K282 WeakPolarHBondContact O-CG 3.3Å; C278-K282 VanDerWaalsContact SG-CE 3.57Å
279H88.1Confident86.9Confident12 Ų1271.1 Ų71.16%0.05636%0.364CS..Hα-helixtrans-70.9-46.1178.9-70.2-53.9000112.1L230 I275 V276 T281 K282 C285 L293L230-H279 PolarHBondContact O-NE2 3.33Å; I275-H279 PolarHBondContact O-CD2 3.03Å; I275-H279 PolarHBondContact O-N 2.82Å; V276-H279 PolarHBondContact O-N 2.87Å; H279-T281 PolarHBondContact O-N 3.43Å; H279-K282 PolarHBondContact CE1-NZ 3.01Å; H279-K282 PolarHBondContact ND1-NZ 2.84Å; H279-K282 WeakPolarHBondContact O-CB 3.37Å; H279-K282 PolarHBondContact O-N 2.81Å; H279-K282 VanDerWaalsContact O-N 3.09Å; H279-C285 WeakPolarHBondContact O-CB 3.43Å; H279-C285 PolarHBondContact O-SG 3.46Å; H279-C285 VanDerWaalsContact O-SG 3.34Å; H279-L293 HydrophobicContact CB-CD1 3.52Å
280L87.3Confident87Confident61 Ų6166.4 Ų66.432%0.31935%0.345SS..Hα-helixtrans-66.2-19.3179.5-67.7178.2000114.2V276 A290 L293V276-L280 HydrophobicContact CG1-CD1 3.72Å; V276-L280 HydrophobicContact CG1-CG 4.44Å; V276-L280 WeakPolarHBondContact O-CB 3.38Å; V276-L280 WeakPolarHBondContact O-CG 3.29Å; V276-L280 PolarHBondContact O-N 2.99Å; L280-A290 HydrophobicContact CD2-CB 4.1Å; L280-L293 HydrophobicContact CD1-CB 4.43Å; L280-L293 HydrophobicContact CD2-CB 4.11Å; L280-L293 HydrophobicContact CD2-CD1 4.3Å; L280-L293 HydrophobicContact CG-CB 4.26Å; L280-L293 HydrophobicContact CG-CD1 4.32Å
281T87Confident86.9Confident103 Ų10366.9 Ų66.963%0.63235%0.347SS*.THydrogen-bonded Turntrans-90.7-617454.80000114.3Q277 C278 H279 K283Q277-T281 HydrophobicContact CG-CG2 4.33Å; Q277-T281 WeakPolarHBondContact O-CB 3.43Å; Q277-T281 VanDerWaalsContact O-CG2 3.27Å; Q277-T281 WeakPolarHBondContact O-CG2 3.46Å; Q277-T281 PolarHBondContact O-N 2.92Å; Q277-T281 PolarHBondContact O-OG1 3Å; C278-T281 PolarHBondContact O-OG1 3.19Å; H279-T281 PolarHBondContact O-N 3.43Å; T281-K283 PolarHBondContact O-N 3.35Å
282K84.5Confident86.9Confident67 Ų6766.3 Ų66.329%0.29134%0.34SS..SBendtrans-71.9125173-73.2164.2-166173.50110E233 C278 H279 N284 C285E233-K282 WeakPolarHBondContact OE1-CE 3.35Å; E233-K282 IonicContact OE1-NZ 2.65Å; E233-K282 PolarHBondContact OE1-NZ 2.93Å; C278-K282 WeakPolarHBondContact O-CE 3.25Å; C278-K282 WeakPolarHBondContact O-CG 3.3Å; C278-K282 VanDerWaalsContact SG-CE 3.57Å; H279-K282 PolarHBondContact CE1-NZ 3.01Å; H279-K282 PolarHBondContact ND1-NZ 2.84Å; H279-K282 WeakPolarHBondContact O-CB 3.37Å; H279-K282 PolarHBondContact O-N 2.81Å; H279-K282 VanDerWaalsContact O-N 3.09Å; K282-N284 PolarHBondContact O-N 2.67Å; K282-C285 HydrophobicContact CB-CB 4.42Å; K282-C285 PolarHBondContact O-N 3.09Å
283K74Confident86.9Confident209 Ų20966.3 Ų66.391%0.90934%0.34SS*.THydrogen-bonded Turntrans-55.8-23.7179.6-67.5-173.8177-177.30114.7T281T281-K283 PolarHBondContact O-N 3.35Å
284N75Confident86.9Confident155 Ų15565.9 Ų65.983%0.82934%0.34SS*.THydrogen-bonded Turntrans-121.437.2-179.3-58.923.6000110.3K282K282-N284 PolarHBondContact O-N 2.67Å
285C81.2Confident86.9Confident36 Ų3658.9 Ų58.924%0.24331%0.31CS..  trans-62.5138.1168.7-163.80000109.3H279 K282H279-C285 WeakPolarHBondContact O-CB 3.43Å; H279-C285 PolarHBondContact O-SG 3.46Å; H279-C285 VanDerWaalsContact O-SG 3.34Å; K282-C285 HydrophobicContact CB-CB 4.42Å; K282-C285 PolarHBondContact O-N 3.09Å
286D86.7Confident86.9Confident52 Ų5258.6 Ų58.628%0.27831%0.309SS..  trans-71.9139.4179.3-177.9-86.3000110.9L237 E288 L289 A290L237-D286 HydrophobicContact CD1-CB 3.57Å; L237-D286 HydrophobicContact CD2-CB 3.85Å; L237-D286 VanDerWaalsContact CD2-CG 3.45Å; L237-D286 WeakPolarHBondContact CD2-OD2 3.47Å; L237-D286 HydrophobicContact CG-CB 4.37Å; D286-E288 PolarHBondContact O-N 2.68Å; D286-E288 WeakPolarHBondContact OD1-CB 3.23Å; D286-E288 PolarHBondContact OD1-N 2.74Å; D286-L289 HydrophobicContact CB-CB 4.31Å; D286-L289 PolarHBondContact O-N 3.17Å; D286-L289 PolarHBondContact OD1-N 2.97Å; D286-A290 WeakPolarHBondContact O-CB 3.06Å; D286-A290 PolarHBondContact O-N 3.14Å
287P86.2Confident87Confident104 Ų10460 Ų6068%0.67532%0.315SS*.Hα-helixtrans-61.7-34.9-177.724.5-35.9000114.5A290 E291P287-A290 PolarHBondContact O-N 2.87Å; P287-E291 WeakPolarHBondContact O-CB 2.88Å; P287-E291 PolarHBondContact O-N 2.74Å
288E85.4Confident86.9Confident96 Ų9654 Ų5445%0.44929%0.287SS..Hα-helixtrans-72.8-45-178.7-170177.3162.600110.2I241 D286 A290 E291 Q292I241-E288 HydrophobicContact CD1-CB 3.97Å; I241-E288 HydrophobicContact CD1-CG 3.96Å; I241-E288 HydrophobicContact CG1-CG 4.4Å; I241-E288 HydrophobicContact CG2-CG 4.27Å; I241-E288 WeakPolarHBondContact CG2-OE1 3.26Å; D286-E288 PolarHBondContact O-N 2.68Å; D286-E288 WeakPolarHBondContact OD1-CB 3.23Å; D286-E288 PolarHBondContact OD1-N 2.74Å; E288-A290 VanDerWaalsContact C-N 3.32Å; E288-A290 PolarHBondContact O-N 3.23Å; E288-E291 PolarHBondContact O-N 3.43Å; E288-Q292 WeakPolarHBondContact O-CG 3.05Å; E288-Q292 PolarHBondContact O-N 3.01Å
289L90.2Very high86.9Confident6 Ų652 Ų523%0.03127%0.274CS..Hα-helixtrans-62.5-39.7172.1-17860.5000111.7L237 L240 I241 M244 D286 Q292 L293L237-L289 HydrophobicContact CD1-CB 3.87Å; L237-L289 HydrophobicContact CD1-CD2 4.11Å; L240-L289 HydrophobicContact CB-CD1 3.94Å; L240-L289 HydrophobicContact CB-CD2 4.01Å; L240-L289 HydrophobicContact CD1-CD2 3.9Å; I241-L289 HydrophobicContact CG1-CB 4.15Å; M244-L289 HydrophobicContact CB-CD1 4.47Å; D286-L289 HydrophobicContact CB-CB 4.31Å; D286-L289 PolarHBondContact O-N 3.17Å; D286-L289 PolarHBondContact OD1-N 2.97Å; L289-Q292 PolarHBondContact O-N 3.26Å; L289-L293 HydrophobicContact CD1-CD1 4.33Å; L289-L293 HydrophobicContact CD1-CG 4.36Å; L289-L293 HydrophobicContact CG-CD1 4.01Å; L289-L293 HydrophobicContact CG-CG 4.48Å; L289-L293 WeakPolarHBondContact O-CB 3.38Å; L289-L293 VanDerWaalsContact O-CG 3.23Å; L289-L293 WeakPolarHBondContact O-CG 3.02Å; L289-L293 PolarHBondContact O-N 2.63Å
290A89.4Confident86.9Confident20 Ų2051.7 Ų51.717%0.16527%0.273CS..Hα-helixtrans-65.5-39176.500000112.4L280 D286 P287 E288 L293 N294L280-A290 HydrophobicContact CD2-CB 4.1Å; D286-A290 WeakPolarHBondContact O-CB 3.06Å; D286-A290 PolarHBondContact O-N 3.14Å; P287-A290 PolarHBondContact O-N 2.87Å; E288-A290 VanDerWaalsContact C-N 3.32Å; E288-A290 PolarHBondContact O-N 3.23Å; A290-L293 PolarHBondContact O-N 3.06Å; A290-N294 WeakPolarHBondContact O-CB 3.35Å; A290-N294 PolarHBondContact O-N 3.1Å; A290-N294 PolarHBondContact O-ND2 2.92Å
291E87.7Confident86.8Confident49 Ų4952.9 Ų52.923%0.22927%0.273CS..Hα-helixtrans-63.6-45.7174.4-176.6158.5-151.600111.1P287 E288 L293 N294 L295P287-E291 WeakPolarHBondContact O-CB 2.88Å; P287-E291 PolarHBondContact O-N 2.74Å; E288-E291 PolarHBondContact O-N 3.43Å; E291-L293 VanDerWaalsContact C-N 3.33Å; E291-L293 PolarHBondContact O-N 3.5Å; E291-N294 PolarHBondContact O-N 2.93Å; E291-L295 WeakPolarHBondContact O-CB 3.41Å; E291-L295 PolarHBondContact O-N 2.74Å
292Q90Very high86.8Confident4 Ų449 Ų492%0.01925%0.247CC..Hα-helixtrans-61.8-37.1176.3-64.7-64.7-23.800112.8M244 T245 N248 E288 L289 Y296 T1416M244-Q292 HydrophobicContact CB-CB 4Å; M244-Q292 HydrophobicContact CG-CB 3.55Å; T245-Q292 VanDerWaalsContact OG1-CD 3.32Å; T245-Q292 PolarHBondContact OG1-NE2 2.9Å; N248-Q292 PolarHBondContact ND2-O 3.14Å; N248-Q292 PolarHBondContact ND2-OE1 3.15Å; E288-Q292 WeakPolarHBondContact O-CG 3.05Å; E288-Q292 PolarHBondContact O-N 3.01Å; L289-Q292 PolarHBondContact O-N 3.26Å; Q292-Y296 PolarHBondContact O-N 3.36Å; Q292-T1416 PolarHBondContact NE2-OG1 2.88Å; Q292-T1416 VanDerWaalsContact NE2-OG1 3.11Å
293L91.8Very high86.9Confident0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-70.4-37.6175.6-69.9168.4000112.8M244 V276 H279 L280 L289 A290 E291 E297M244-L293 HydrophobicContact CE-CD2 4.25Å; M244-L293 HydrophobicContact CG-CD2 4.34Å; M244-L293 HydrophobicContact SD-CD2 3.75Å; V276-L293 HydrophobicContact CG2-CD2 3.94Å; H279-L293 HydrophobicContact CB-CD1 3.52Å; L280-L293 HydrophobicContact CD1-CB 4.43Å; L280-L293 HydrophobicContact CD2-CB 4.11Å; L280-L293 HydrophobicContact CD2-CD1 4.3Å; L280-L293 HydrophobicContact CG-CB 4.26Å; L280-L293 HydrophobicContact CG-CD1 4.32Å; L289-L293 HydrophobicContact CD1-CD1 4.33Å; L289-L293 HydrophobicContact CD1-CG 4.36Å; L289-L293 HydrophobicContact CG-CD1 4.01Å; L289-L293 HydrophobicContact CG-CG 4.48Å; L289-L293 WeakPolarHBondContact O-CB 3.38Å; L289-L293 VanDerWaalsContact O-CG 3.23Å; L289-L293 WeakPolarHBondContact O-CG 3.02Å; L289-L293 PolarHBondContact O-N 2.63Å; A290-L293 PolarHBondContact O-N 3.06Å; E291-L293 VanDerWaalsContact C-N 3.33Å; E291-L293 PolarHBondContact O-N 3.5Å; L293-E297 PolarHBondContact O-N 3.35Å
294N90.5Very high87.3Confident64 Ų6438 Ų3834%0.34220%0.201SC..Hα-helixtrans-71.3-32.7175.7-76-67.4000112.3A290 E291 Y296 E297 A298 L313A290-N294 WeakPolarHBondContact O-CB 3.35Å; A290-N294 PolarHBondContact O-N 3.1Å; A290-N294 PolarHBondContact O-ND2 2.92Å; E291-N294 PolarHBondContact O-N 2.93Å; N294-Y296 VanDerWaalsContact C-N 3.33Å; N294-Y296 PolarHBondContact O-N 3.18Å; N294-E297 PolarHBondContact O-N 3.18Å; N294-A298 WeakPolarHBondContact O-CB 3.41Å; N294-A298 PolarHBondContact O-N 3.32Å; N294-L313 HydrophobicContact CB-CD2 4.13Å
295L89.2Confident87.5Confident13 Ų1333 Ų337%0.06819%0.185CC..Hα-helixtrans-61.1-40.5175.4-178.658.3000111.9N248 E291 S299 L313 G317 L321N248-L295 HydrophobicContact CB-CD2 4.21Å; E291-L295 WeakPolarHBondContact O-CB 3.41Å; E291-L295 PolarHBondContact O-N 2.74Å; L295-S299 WeakPolarHBondContact O-CB 3.48Å; L295-S299 PolarHBondContact O-N 3.3Å; L295-L313 HydrophobicContact CD1-CD1 4.26Å; L295-G317 WeakPolarHBondContact CD1-O 3.48Å; L295-L321 HydrophobicContact CD1-CD1 4.46Å
296Y92.6Very high87.4Confident2 Ų234.5 Ų34.51%0.00819%0.189CC..Hα-helixtrans-62.4-51.3173.8173.2-92.9000112.5M244 L251 L267 M272 V276 Q292 N294 A298 S299 L300M244-Y296 HydrophobicContact CE-CD2 4.04Å; M244-Y296 HydrophobicContact CE-CG 3.78Å; L251-Y296 HydrophobicContact CD1-CD2 3.81Å; L251-Y296 HydrophobicContact CD1-CE2 3.86Å; L267-Y296 HydrophobicContact CD1-CE2 4.03Å; M272-Y296 HydrophobicContact CE-CD2 4.35Å; M272-Y296 HydrophobicContact CE-CE2 4.31Å; M272-Y296 HydrophobicContact CE-CG 4.49Å; M272-Y296 HydrophobicContact CG-CE1 3.84Å; M272-Y296 HydrophobicContact CG-CE2 4.33Å; V276-Y296 HydrophobicContact CG2-CD1 4.11Å; V276-Y296 HydrophobicContact CG2-CE1 4.32Å; Q292-Y296 PolarHBondContact O-N 3.36Å; N294-Y296 VanDerWaalsContact C-N 3.33Å; N294-Y296 PolarHBondContact O-N 3.18Å; Y296-A298 VanDerWaalsContact C-N 3.31Å; Y296-A298 PolarHBondContact O-N 2.86Å; Y296-S299 PolarHBondContact O-N 3.26Å; Y296-S299 VanDerWaalsContact O-N 3.16Å; Y296-L300 HydrophobicContact CD1-CD1 4.17Å; Y296-L300 HydrophobicContact CE1-CD1 3.55Å; Y296-L300 HydrophobicContact CE1-CG 4.45Å; Y296-L300 PolarHBondContact O-N 2.87Å; Y296-L300 VanDerWaalsContact O-N 3.1Å
297E91.1Very high86.9Confident30 Ų3035 Ų3514%0.1419%0.192CC..Hα-helixtrans-54.7-45.1176.2-87.4-87.116100112.4Q273 V276 L293 N294 L300 R301Q273-E297 PolarHBondContact NE2-OE1 3.01Å; V276-E297 HydrophobicContact CG1-CG 3.92Å; L293-E297 PolarHBondContact O-N 3.35Å; N294-E297 PolarHBondContact O-N 3.18Å; E297-L300 PolarHBondContact O-N 2.81Å; E297-R301 WeakPolarHBondContact O-CG 3.18Å; E297-R301 PolarHBondContact O-N 3.5Å; E297-R301 IonicContact OE2-CZ 3.5Å; E297-R301 IonicContact OE2-NE 3.4Å; E297-R301 PolarHBondContact OE2-NE 3.44Å; E297-R301 IonicContact OE2-NH2 2.73Å; E297-R301 PolarHBondContact OE2-NH2 3Å
298A87.9Confident86.4Confident1 Ų132.8 Ų32.81%0.00817%0.172CC..Hα-helixtrans-71-33.9178.700000113N294 Y296 L300 R301 Y302 L313N294-A298 WeakPolarHBondContact O-CB 3.41Å; N294-A298 PolarHBondContact O-N 3.32Å; Y296-A298 VanDerWaalsContact C-N 3.31Å; Y296-A298 PolarHBondContact O-N 2.86Å; A298-L300 VanDerWaalsContact C-N 3.31Å; A298-L300 PolarHBondContact O-N 3.33Å; A298-R301 PolarHBondContact O-N 3.29Å; A298-Y302 WeakPolarHBondContact O-CB 3.41Å; A298-Y302 PolarHBondContact O-N 3.07Å; A298-L313 HydrophobicContact CB-CD1 3.36Å; A298-L313 HydrophobicContact CB-CD2 3.92Å; A298-L313 HydrophobicContact CB-CG 3.5Å; A298-L313 VanDerWaalsContact CB-CG 3.5Å
299S88Confident85.8Confident9 Ų934.4 Ų34.46%0.06318%0.183CC..Hα-helixtrans-66.7-32.1174.8-172.70000112.8L295 Y296 E303L295-S299 WeakPolarHBondContact O-CB 3.48Å; L295-S299 PolarHBondContact O-N 3.3Å; Y296-S299 PolarHBondContact O-N 3.26Å; Y296-S299 VanDerWaalsContact O-N 3.16Å; S299-E303 PolarHBondContact O-N 3.35Å
300L89Confident85Confident5 Ų540.7 Ų40.73%0.02621%0.212CC..Hα-helixtrans-65.8-54.1172-71.2172.6000110.6F260 T264 Y296 E297 A298 Y302 E303 D304F260-L300 HydrophobicContact CE1-CD2 4.31Å; F260-L300 HydrophobicContact CZ-CD2 4.32Å; T264-L300 HydrophobicContact CG2-CD2 3.7Å; Y296-L300 HydrophobicContact CD1-CD1 4.17Å; Y296-L300 HydrophobicContact CE1-CD1 3.55Å; Y296-L300 HydrophobicContact CE1-CG 4.45Å; Y296-L300 PolarHBondContact O-N 2.87Å; Y296-L300 VanDerWaalsContact O-N 3.1Å; E297-L300 PolarHBondContact O-N 2.81Å; A298-L300 VanDerWaalsContact C-N 3.31Å; A298-L300 PolarHBondContact O-N 3.33Å; L300-Y302 VanDerWaalsContact C-N 3.3Å; L300-Y302 PolarHBondContact O-N 3.49Å; L300-E303 PolarHBondContact O-N 3.03Å; L300-D304 PolarHBondContact O-N 3.09Å
301R86.3Confident84.2Confident86 Ų8639.8 Ų39.833%0.32521%0.205SC..Hα-helixtrans-59.3-38.6-177.9-68.2174.6-158.7-149.86.1113.5E297 A298 E303 D304 G305 E306 L311E297-R301 WeakPolarHBondContact O-CG 3.18Å; E297-R301 PolarHBondContact O-N 3.5Å; E297-R301 IonicContact OE2-CZ 3.5Å; E297-R301 IonicContact OE2-NE 3.4Å; E297-R301 PolarHBondContact OE2-NE 3.44Å; E297-R301 IonicContact OE2-NH2 2.73Å; E297-R301 PolarHBondContact OE2-NH2 3Å; A298-R301 PolarHBondContact O-N 3.29Å; R301-E303 VanDerWaalsContact C-N 3.34Å; R301-D304 PolarHBondContact O-N 2.83Å; R301-G305 PolarHBondContact O-N 3.36Å; R301-E306 HydrophobicContact CB-CB 4.29Å; R301-E306 HydrophobicContact CB-CG 4.12Å; R301-E306 WeakPolarHBondContact CB-OE2 3.25Å; R301-E306 VanDerWaalsContact CD-OE2 3.3Å; R301-E306 WeakPolarHBondContact CD-OE2 3.27Å; R301-E306 PolarHBondContact O-N 2.93Å; R301-L311 HydrophobicContact CB-CD2 3.85Å
302Y86.2Confident83.6Confident22 Ų2241.8 Ų41.89%0.08622%0.222CC..Hα-helixtrans-66.5-32.6176.7-176-119.3000113A298 L300 F308 L311 L321 R322 G324 R325A298-Y302 WeakPolarHBondContact O-CB 3.41Å; A298-Y302 PolarHBondContact O-N 3.07Å; L300-Y302 VanDerWaalsContact C-N 3.3Å; L300-Y302 PolarHBondContact O-N 3.49Å; Y302-F308 HydrophobicContact CD2-CB 4.23Å; Y302-F308 HydrophobicContact CD2-CD2 4.05Å; Y302-F308 HydrophobicContact CE2-CB 3.79Å; Y302-F308 AromaticContact CE2-CD2 3.76Å; Y302-F308 HydrophobicContact CE2-CD2 3.76Å; Y302-F308 HydrophobicContact CE2-CG 4.28Å; Y302-L311 HydrophobicContact CD2-CD1 4.09Å; Y302-L311 HydrophobicContact CG-CD1 4.18Å; Y302-L321 HydrophobicContact CD1-CD2 4.1Å; Y302-L321 HydrophobicContact CD1-CG 4.46Å; Y302-L321 HydrophobicContact CG-CD2 4.09Å; Y302-R322 WeakPolarHBondContact CE1-O 3.24Å; Y302-G324 WeakPolarHBondContact OH-CA 3.21Å; Y302-R325 HydrophobicContact CE1-CG 4.03Å; Y302-R325 HydrophobicContact CE2-CG 4.43Å; Y302-R325 PolarHBondContact O-NE 2.79Å; Y302-R325 PolarHBondContact O-NH1 2.72Å; Y302-R325 VanDerWaalsContact O-NH1 3.08Å; Y302-R325 PolarHBondContact O-NH2 3.14Å; Y302-R325 PolarHBondContact OH-N 2.9Å
303E85.4Confident82.7Confident0 Ų042.4 Ų42.40%023%0.225CC..Hα-helixtrans-82.4-33172.5-76.2-69.1-178.700112.3Q257 F260 Y261 S299 L300 R301 R325 R326Q257-E303 PolarHBondContact NE2-OE2 2.92Å; F260-E303 HydrophobicContact CD1-CB 4.2Å; F260-E303 HydrophobicContact CD1-CG 4.02Å; F260-E303 HydrophobicContact CE1-CB 3.75Å; F260-E303 HydrophobicContact CE1-CG 3.76Å; F260-E303 HydrophobicContact CZ-CB 4.41Å; F260-E303 HydrophobicContact CZ-CG 4.12Å; Y261-E303 PolarHBondContact OH-O 2.94Å; S299-E303 PolarHBondContact O-N 3.35Å; L300-E303 PolarHBondContact O-N 3.03Å; R301-E303 VanDerWaalsContact C-N 3.34Å; E303-R325 PolarHBondContact O-NH1 2.61Å; E303-R326 WeakPolarHBondContact OE1-CG 3.25Å; E303-R326 IonicContact OE1-CZ 3.77Å; E303-R326 PolarHBondContact OE1-N 3.48Å; E303-R326 IonicContact OE1-NH1 2.67Å; E303-R326 PolarHBondContact OE1-NH1 3.16Å
304D83.8Confident81.5Confident45 Ų4545.2 Ų45.224%0.24124%0.244CC..Hα-helixtrans-63.5-47.1178.6-79.3-39.5000112.3Y261 L300 R301 R368 V372Y261-D304 PolarHBondContact OH-N 2.93Å; L300-D304 PolarHBondContact O-N 3.09Å; R301-D304 PolarHBondContact O-N 2.83Å; D304-R368 IonicContact OD1-CZ 2.99Å; D304-R368 IonicContact OD1-NE 3.85Å; D304-R368 PolarHBondContact OD1-NE 2.99Å; D304-R368 IonicContact OD1-NH2 2.8Å; D304-R368 IonicContact OD2-CZ 3.35Å; D304-R368 IonicContact OD2-NE 3.27Å; D304-R368 PolarHBondContact OD2-NE 2.83Å; D304-R368 IonicContact OD2-NH2 3.78Å; D304-R368 PolarHBondContact OD2-NH2 3.09Å; D304-V372 WeakPolarHBondContact O-CG1 3.24Å; D304-V372 WeakPolarHBondContact O-CG2 3.38Å
305G78Confident80.1Confident48 Ų4844.4 Ų44.450%0.49525%0.246SC..THydrogen-bonded Turntrans166-13.6-172.800000118.4R301 R325R301-G305 PolarHBondContact O-N 3.36Å; G305-R325 VanDerWaalsContact CA-NH2 3.32Å; G305-R325 PolarHBondContact O-NH2 3.32Å
306E80.7Confident78.7Confident69 Ų6944 Ų4432%0.32225%0.245SC..  trans-70.9147.9-178-65.6-176.9-168.200111.9R301 L311 R325R301-E306 HydrophobicContact CB-CB 4.29Å; R301-E306 HydrophobicContact CB-CG 4.12Å; R301-E306 WeakPolarHBondContact CB-OE2 3.25Å; R301-E306 VanDerWaalsContact CD-OE2 3.3Å; R301-E306 WeakPolarHBondContact CD-OE2 3.27Å; R301-E306 PolarHBondContact O-N 2.93Å; E306-L311 HydrophobicContact CB-CD2 4.12Å; E306-R325 PolarHBondContact O-NH2 3.4Å
307D75.9Confident77.3Confident63 Ų6344 Ų4434%0.33724%0.244SC..  trans-68.8142.1172.2-71.1-33.8000109.6D309 E310 K382D307-D309 PolarHBondContact O-N 3.39Å; D307-E310 HydrophobicContact CB-CG 4.18Å; D307-E310 PolarHBondContact O-N 2.86Å; D307-K382 IonicContact OD1-NZ 3.57Å; D307-K382 PolarHBondContact OD1-NZ 3.06Å; D307-K382 IonicContact OD2-NZ 2.58Å; D307-K382 PolarHBondContact OD2-NZ 3.22Å
308F75.6Confident76.3Confident57 Ų5745.3 Ų45.325%0.2525%0.248CC..THydrogen-bonded Turntrans-54.2-31.5178.7-170.3-97.7000113.1Y302 L311 R318 L321Y302-F308 HydrophobicContact CD2-CB 4.23Å; Y302-F308 HydrophobicContact CD2-CD2 4.05Å; Y302-F308 HydrophobicContact CE2-CB 3.79Å; Y302-F308 AromaticContact CE2-CD2 3.76Å; Y302-F308 HydrophobicContact CE2-CD2 3.76Å; Y302-F308 HydrophobicContact CE2-CG 4.28Å; F308-L311 HydrophobicContact CD2-CD1 4.23Å; F308-R318 HydrophobicContact CE1-CB 4.12Å; F308-R318 HydrophobicContact CZ-CB 3.86Å; F308-R318 HydrophobicContact CZ-CG 4.49Å; F308-L321 HydrophobicContact CD2-CD2 4.39Å; F308-L321 HydrophobicContact CE2-CB 4.43Å; F308-L321 HydrophobicContact CE2-CD2 4.06Å
309D72.1Confident75.1Confident129 Ų12949 Ų4969%0.6927%0.265SS*.THydrogen-bonded Turntrans-76.8-23.5179.6-73.8-45.2000114.6D307 R318D307-D309 PolarHBondContact O-N 3.39Å; D309-R318 PolarHBondContact O-NH2 3.25Å; D309-R318 IonicContact OD1-NH1 2.7Å
310E74.3Confident74.1Confident138 Ų13850 Ų5065%0.64527%0.272SS*.THydrogen-bonded Turntrans-84.8-15.2-179.6-66.1-170.9147.400112.9D307D307-E310 HydrophobicContact CB-CG 4.18Å; D307-E310 PolarHBondContact O-N 2.86Å
311L72.9Confident73.4Confident2 Ų250 Ų501%0.0127%0.272CS..SBendtrans-61.2130.1-177.6-61.8171.8000112.3R301 Y302 E306 F308 L313 R318 L321R301-L311 HydrophobicContact CB-CD2 3.85Å; Y302-L311 HydrophobicContact CD2-CD1 4.09Å; Y302-L311 HydrophobicContact CG-CD1 4.18Å; E306-L311 HydrophobicContact CB-CD2 4.12Å; F308-L311 HydrophobicContact CD2-CD1 4.23Å; L311-L313 PolarHBondContact O-N 3.32Å; L311-R318 PolarHBondContact O-NH2 3.13Å; L311-L321 HydrophobicContact CD1-CD2 3.76Å
312P74.6Confident72.8Confident91 Ų9149.9 Ų49.959%0.59127%0.272SS*.  trans-79.639.5-173.234.5-38.4000114.1
313L69.6Low71.8Confident16 Ų1655.3 Ų55.38%0.08430%0.298CS..  trans-96.4146.2177.4-72.1176.6000112.4N294 L295 A298 L311 R318N294-L313 HydrophobicContact CB-CD2 4.13Å; L295-L313 HydrophobicContact CD1-CD1 4.26Å; A298-L313 HydrophobicContact CB-CD1 3.36Å; A298-L313 HydrophobicContact CB-CD2 3.92Å; A298-L313 HydrophobicContact CB-CG 3.5Å; A298-L313 VanDerWaalsContact CB-CG 3.5Å; L311-L313 PolarHBondContact O-N 3.32Å; L313-R318 HydrophobicContact CB-CG 3.96Å; L313-R318 HydrophobicContact CD1-CG 4.45Å
314P67.8Low70.9Confident59 Ų5956.7 Ų56.738%0.38331%0.312SS..  trans-61.9159.2157.432.2-35.4000109.5S316 G317 R318P314-S316 PolarHBondContact O-N 3.09Å; P314-G317 PolarHBondContact O-N 3.41Å; P314-R318 PolarHBondContact O-N 2.91Å
315A61.9Low70.7Confident48 Ų4858.3 Ų58.340%0.39732%0.315SS..Hα-helixtrans-56.7-24.9-174.700000114.2R318 E319 E1455A315-R318 CarbonylContact O-C 3.57Å; A315-R318 WeakPolarHBondContact O-CA 3.26Å; A315-R318 WeakPolarHBondContact O-CB 3.47Å; A315-R318 PolarHBondContact O-N 3.45Å; A315-R318 VanDerWaalsContact O-N 3.07Å; A315-E319 PolarHBondContact O-N 3.45Å; A315-E1455 VanDerWaalsContact C-OE1 3.25Å; A315-E1455 HydrophobicContact CB-CG 3.82Å; A315-E1455 WeakPolarHBondContact CB-OE1 3.38Å
316S58.8Low71Confident5 Ų556.5 Ų56.54%0.03529%0.293CS..Hα-helixtrans-75.6-32.5177.7-125.60000114.4P314 R318 E319 S320 P1417 E1455P314-S316 PolarHBondContact O-N 3.09Å; S316-R318 PolarHBondContact O-N 2.69Å; S316-E319 PolarHBondContact O-N 3.22Å; S316-S320 WeakPolarHBondContact O-CB 3.46Å; S316-S320 PolarHBondContact O-N 3.42Å; S316-S320 PolarHBondContact O-OG 2.85Å; S316-P1417 WeakPolarHBondContact OG-CG 3.49Å; S316-E1455 VanDerWaalsContact CA-CD 3.43Å; S316-E1455 WeakPolarHBondContact CA-OE2 3.46Å; S316-E1455 WeakPolarHBondContact CB-OE2 3.36Å; S316-E1455 VanDerWaalsContact N-CG 3.29Å; S316-E1455 PolarHBondContact N-OE2 2.73Å; S316-E1455 WeakPolarHBondContact OG-CB 3.37Å; S316-E1455 PolarHBondContact OG-OE2 3.33Å
317G64.2Low71.1Confident0 Ų057.2 Ų57.20%030%0.297CS..Hα-helixtrans-61.3-37.2164.900000110.7L295 P314 S320 L321L295-G317 WeakPolarHBondContact CD1-O 3.48Å; P314-G317 PolarHBondContact O-N 3.41Å; G317-S320 PolarHBondContact O-N 3.39Å; G317-L321 WeakPolarHBondContact O-CB 3.32Å; G317-L321 PolarHBondContact O-N 2.71Å; G317-L321 VanDerWaalsContact O-N 3.17Å
318R68.8Low71.3Confident59 Ų5955.2 Ų55.222%0.22329%0.288CS..Hα-helixtrans-72.6-35.9177.2-58.1-173.8178.3-158.3-6113F308 D309 L311 L313 P314 A315 S316 S320 L321F308-R318 HydrophobicContact CE1-CB 4.12Å; F308-R318 HydrophobicContact CZ-CB 3.86Å; F308-R318 HydrophobicContact CZ-CG 4.49Å; D309-R318 PolarHBondContact O-NH2 3.25Å; D309-R318 IonicContact OD1-NH1 2.7Å; L311-R318 PolarHBondContact O-NH2 3.13Å; L313-R318 HydrophobicContact CB-CG 3.96Å; L313-R318 HydrophobicContact CD1-CG 4.45Å; P314-R318 PolarHBondContact O-N 2.91Å; A315-R318 CarbonylContact O-C 3.57Å; A315-R318 WeakPolarHBondContact O-CA 3.26Å; A315-R318 WeakPolarHBondContact O-CB 3.47Å; A315-R318 PolarHBondContact O-N 3.45Å; A315-R318 VanDerWaalsContact O-N 3.07Å; S316-R318 PolarHBondContact O-N 2.69Å; R318-S320 VanDerWaalsContact C-N 3.28Å; R318-L321 PolarHBondContact O-N 3.15Å
319E64.1Low71.5Confident79 Ų7953.3 Ų53.337%0.36928%0.279SS..Hα-helixtrans-62.4-35.9169.3-82.3-95127.500111.8A315 S316 L321 K1452A315-E319 PolarHBondContact O-N 3.45Å; S316-E319 PolarHBondContact O-N 3.22Å; E319-L321 VanDerWaalsContact C-N 3.3Å; E319-K1452 IonicContact OE1-NZ 2.83Å; E319-K1452 PolarHBondContact OE1-NZ 3.15Å; E319-K1452 WeakPolarHBondContact OE2-CD 3.44Å; E319-K1452 IonicContact OE2-NZ 2.76Å; E319-K1452 PolarHBondContact OE2-NZ 3.35Å
320S66.7Low71.5Confident30 Ų3050.9 Ų50.921%0.2127%0.269CS..THydrogen-bonded Turntrans-78.4-12.2179.2-55.80000113.5N252 S316 G317 R318 T1416N252-S320 PolarHBondContact ND2-O 3.2Å; S316-S320 WeakPolarHBondContact O-CB 3.46Å; S316-S320 PolarHBondContact O-N 3.42Å; S316-S320 PolarHBondContact O-OG 2.85Å; G317-S320 PolarHBondContact O-N 3.39Å; R318-S320 VanDerWaalsContact C-N 3.28Å; S320-T1416 WeakPolarHBondContact OG-CG2 3.44Å
321L73.3Confident71.8Confident5 Ų549.6 Ų49.63%0.02626%0.263CS..SBendtrans-96.2138.8-177.5-166.168000111.5L295 Y302 F308 L311 G317 R318 E319 Q323L295-L321 HydrophobicContact CD1-CD1 4.46Å; Y302-L321 HydrophobicContact CD1-CD2 4.1Å; Y302-L321 HydrophobicContact CD1-CG 4.46Å; Y302-L321 HydrophobicContact CG-CD2 4.09Å; F308-L321 HydrophobicContact CD2-CD2 4.39Å; F308-L321 HydrophobicContact CE2-CB 4.43Å; F308-L321 HydrophobicContact CE2-CD2 4.06Å; L311-L321 HydrophobicContact CD1-CD2 3.76Å; G317-L321 WeakPolarHBondContact O-CB 3.32Å; G317-L321 PolarHBondContact O-N 2.71Å; G317-L321 VanDerWaalsContact O-N 3.17Å; R318-L321 PolarHBondContact O-N 3.15Å; E319-L321 VanDerWaalsContact C-N 3.3Å; L321-Q323 PolarHBondContact O-N 3.27Å
322R74.6Confident72.1Confident83 Ų8350.2 Ų50.231%0.31327%0.265SS..  trans-52121.2176.7-159.5179.5-165-988.6111.1N252 Y302 G324 R325N252-R322 WeakPolarHBondContact OD1-CB 3.47Å; N252-R322 PolarHBondContact OD1-N 2.9Å; Y302-R322 WeakPolarHBondContact CE1-O 3.24Å; R322-G324 WeakPolarHBondContact CD-O 3.35Å; R322-G324 WeakPolarHBondContact CG-O 3.44Å; R322-G324 PolarHBondContact NH1-O 2.81Å; R322-G324 PolarHBondContact O-N 2.93Å; R322-R325 PolarHBondContact NH1-O 3.19Å
323Q64Low72.2Confident136 Ų13647.6 Ų47.664%0.63625%0.246SC*.SBendtrans-72.74.8-173.5-59.2-165.9-29.400114.9L321L321-Q323 PolarHBondContact O-N 3.27Å
324G66.8Low72.5Confident28 Ų2854.3 Ų54.329%0.28927%0.274SS..SBendtrans-156.5140175.200000110.8Y302 R322Y302-G324 WeakPolarHBondContact OH-CA 3.21Å; R322-G324 WeakPolarHBondContact CD-O 3.35Å; R322-G324 WeakPolarHBondContact CG-O 3.44Å; R322-G324 PolarHBondContact NH1-O 2.81Å; R322-G324 PolarHBondContact O-N 2.93Å
325R79.2Confident73Confident80 Ų8053.1 Ų53.130%0.30227%0.266SS..PPolyproline II helixtrans-55.7152.6177.1-67.1-180-177.3-117.5-3.4111.7Y302 E303 G305 E306 R322Y302-R325 HydrophobicContact CE1-CG 4.03Å; Y302-R325 HydrophobicContact CE2-CG 4.43Å; Y302-R325 PolarHBondContact O-NE 2.79Å; Y302-R325 PolarHBondContact O-NH1 2.72Å; Y302-R325 VanDerWaalsContact O-NH1 3.08Å; Y302-R325 PolarHBondContact O-NH2 3.14Å; Y302-R325 PolarHBondContact OH-N 2.9Å; E303-R325 PolarHBondContact O-NH1 2.61Å; G305-R325 VanDerWaalsContact CA-NH2 3.32Å; G305-R325 PolarHBondContact O-NH2 3.32Å; E306-R325 PolarHBondContact O-NH2 3.4Å; R322-R325 PolarHBondContact NH1-O 3.19Å
326R85Confident73.5Confident9 Ų955.2 Ų55.23%0.03428%0.276CS..PPolyproline II helixtrans-74.4147.3176.2-64.8163.1-173.184.4-7.2110.5L251 N252 I254 Q257 E303L251-R326 PolarHBondContact O-NH2 2.64Å; N252-R326 PolarHBondContact O-NH2 2.82Å; I254-R326 WeakPolarHBondContact O-CD 3.43Å; I254-R326 PolarHBondContact O-NE 2.69Å; Q257-R326 HydrophobicContact CB-CB 3.8Å; Q257-R326 HydrophobicContact CG-CB 4.15Å; E303-R326 WeakPolarHBondContact OE1-CG 3.25Å; E303-R326 IonicContact OE1-CZ 3.77Å; E303-R326 PolarHBondContact OE1-N 3.48Å; E303-R326 IonicContact OE1-NH1 2.67Å; E303-R326 PolarHBondContact OE1-NH1 3.16Å
327M82.9Confident73.9Confident84 Ų8459.4 Ų59.441%0.41430%0.295SS..BIsolated β-bridgetrans-86.1161.6168.761.6172.160.700110D256 Q257 Q331 F332 T335D256-M327 CarbonylContact C-O 3.51Å; D256-M327 WeakPolarHBondContact CA-O 2.88Å; Q257-M327 PolarHBondContact N-O 3.29Å; M327-Q331 HydrophobicContact CB-CB 4.09Å; M327-Q331 HydrophobicContact CG-CB 4.18Å; M327-Q331 HydrophobicContact SD-CB 3.82Å; M327-F332 HydrophobicContact CG-CB 4.06Å; M327-F332 HydrophobicContact SD-CB 4.15Å; M327-F332 PolarHBondContact SD-N 3.02Å; M327-T335 HydrophobicContact SD-CG2 4.15Å
328S80.4Confident74.3Confident22 Ų2259.4 Ų59.415%0.15430%0.295CS..PPolyproline II helixtrans-67.3156.217965.90000111.9D258 V330 Q331 F332D258-S328 WeakPolarHBondContact OD2-CA 3.28Å; D258-S328 WeakPolarHBondContact OD2-CB 3.19Å; S328-V330 PolarHBondContact O-N 3.5Å; S328-Q331 WeakPolarHBondContact O-CA 3.41Å; S328-Q331 WeakPolarHBondContact O-CB 3.39Å; S328-Q331 PolarHBondContact O-N 2.84Å; S328-Q331 WeakPolarHBondContact OG-CG 3.17Å; S328-Q331 PolarHBondContact OG-OE1 2.89Å; S328-F332 PolarHBondContact O-N 3.08Å
329R79.1Confident74.4Confident17 Ų1761.7 Ų61.76%0.06431%0.308CS..Hα-helixtrans-50-43.9179-168174.6-71.6157.9-8.4111.6D256 D258 T259 D262 Q331 F332 M333 M361 L362D256-R329 HydrophobicContact CB-CB 4.33Å; D256-R329 WeakPolarHBondContact OD1-CB 3.45Å; D256-R329 IonicContact OD1-CZ 3.49Å; D256-R329 IonicContact OD1-NE 2.89Å; D256-R329 PolarHBondContact OD1-NE 3.33Å; D256-R329 VanDerWaalsContact OD1-NE 3.12Å; D256-R329 IonicContact OD1-NH2 2.72Å; D258-R329 HydrophobicContact CB-CB 4Å; D258-R329 PolarHBondContact OD2-N 3.48Å; T259-R329 PolarHBondContact OG1-NE 2.99Å; T259-R329 PolarHBondContact OG1-NH2 3.07Å; D262-R329 IonicContact OD2-CZ 3.91Å; D262-R329 IonicContact OD2-NH1 2.79Å; D262-R329 PolarHBondContact OD2-NH1 2.96Å; D262-R329 VanDerWaalsContact OD2-NH1 3.13Å; D262-R329 IonicContact OD2-NH2 3.13Å; D262-R329 PolarHBondContact OD2-NH2 3.03Å; R329-Q331 VanDerWaalsContact C-N 3.27Å; R329-Q331 PolarHBondContact O-N 2.96Å; R329-F332 PolarHBondContact O-N 2.76Å; R329-M333 HydrophobicContact CG-CG 4.36Å; R329-M333 WeakPolarHBondContact O-CB 3.28Å; R329-M333 WeakPolarHBondContact O-CG 3.2Å; R329-M333 PolarHBondContact O-N 3.21Å; R329-M361 PolarHBondContact NH1-O 3.49Å; R329-L362 HydrophobicContact CG-CD2 4.23Å
330V72.4Confident74.5Confident77 Ų7760.2 Ų60.247%0.46731%0.309SS..Hα-helixtrans-67.7-22.4178.9-178.50000113.3S328 K334S328-V330 PolarHBondContact O-N 3.5Å; V330-K334 WeakPolarHBondContact O-CD 3.4Å; V330-K334 VanDerWaalsContact O-CE 3.3Å; V330-K334 WeakPolarHBondContact O-CE 3.17Å; V330-K334 WeakPolarHBondContact O-CG 3.35Å
331Q79.7Confident74.5Confident112 Ų11259.4 Ų59.452%0.52330%0.303SS..Hα-helixtrans-85-45.1170.4-68.6170.6-27.200110.7M327 S328 R329 M333 K334M327-Q331 HydrophobicContact CB-CB 4.09Å; M327-Q331 HydrophobicContact CG-CB 4.18Å; M327-Q331 HydrophobicContact SD-CB 3.82Å; S328-Q331 WeakPolarHBondContact O-CA 3.41Å; S328-Q331 WeakPolarHBondContact O-CB 3.39Å; S328-Q331 PolarHBondContact O-N 2.84Å; S328-Q331 WeakPolarHBondContact OG-CG 3.17Å; S328-Q331 PolarHBondContact OG-OE1 2.89Å; R329-Q331 VanDerWaalsContact C-N 3.27Å; R329-Q331 PolarHBondContact O-N 2.96Å; Q331-M333 PolarHBondContact O-N 3.45Å; Q331-K334 PolarHBondContact O-N 2.96Å; Q331-K334 VanDerWaalsContact O-N 3.1Å
332F80.7Confident74Confident14 Ų1461.3 Ų61.36%0.06131%0.313CS..Hα-helixtrans-61.4-41.4-180178.6-110.3000112.9P255 D256 M327 S328 R329 K334 T335 E337 L341P255-F332 HydrophobicContact CB-CD1 4.39Å; P255-F332 HydrophobicContact CB-CD2 4.05Å; P255-F332 HydrophobicContact CB-CE1 4.04Å; P255-F332 HydrophobicContact CB-CE2 3.67Å; P255-F332 HydrophobicContact CB-CG 4.4Å; P255-F332 HydrophobicContact CB-CZ 3.68Å; P255-F332 HydrophobicContact CG-CD1 4.1Å; P255-F332 HydrophobicContact CG-CE1 3.62Å; P255-F332 HydrophobicContact CG-CE2 4.19Å; P255-F332 HydrophobicContact CG-CZ 3.68Å; D256-F332 HydrophobicContact CB-CB 4.05Å; D256-F332 HydrophobicContact CB-CD1 4.37Å; D256-F332 HydrophobicContact CB-CG 4.36Å; M327-F332 HydrophobicContact CG-CB 4.06Å; M327-F332 HydrophobicContact SD-CB 4.15Å; M327-F332 PolarHBondContact SD-N 3.02Å; S328-F332 PolarHBondContact O-N 3.08Å; R329-F332 PolarHBondContact O-N 2.76Å; F332-K334 PolarHBondContact O-N 3.35Å; F332-T335 WeakPolarHBondContact O-CB 3.12Å; F332-T335 PolarHBondContact O-N 3.12Å; F332-T335 PolarHBondContact O-OG1 3.32Å; F332-E337 HydrophobicContact CE2-CB 3.96Å; F332-E337 HydrophobicContact CZ-CB 4.19Å; F332-L341 HydrophobicContact CE1-CD1 4.25Å
333M76.6Confident73.3Confident37 Ų3761.3 Ų61.318%0.18233%0.325CS..THydrogen-bonded Turntrans-61.1-12.9176.7-59.4-112.478.200113.9R329 Q331 L342 L362R329-M333 HydrophobicContact CG-CG 4.36Å; R329-M333 WeakPolarHBondContact O-CB 3.28Å; R329-M333 WeakPolarHBondContact O-CG 3.2Å; R329-M333 PolarHBondContact O-N 3.21Å; Q331-M333 PolarHBondContact O-N 3.45Å; M333-L342 HydrophobicContact CE-CD1 3.75Å; M333-L342 HydrophobicContact CE-CD2 3.79Å; M333-L342 HydrophobicContact CE-CG 3.54Å; M333-L342 HydrophobicContact SD-CD1 4.41Å; M333-L342 HydrophobicContact SD-CD2 4.47Å; M333-L362 HydrophobicContact CG-CD2 4.41Å; M333-L362 HydrophobicContact SD-CD2 4.04Å
334K75.9Confident72.8Confident157 Ų15757.8 Ų57.868%0.68332%0.316SS*.THydrogen-bonded Turntrans-101.511.4177.7-59.2177-176.4-1800113V330 Q331 F332V330-K334 WeakPolarHBondContact O-CD 3.4Å; V330-K334 VanDerWaalsContact O-CE 3.3Å; V330-K334 WeakPolarHBondContact O-CE 3.17Å; V330-K334 WeakPolarHBondContact O-CG 3.35Å; Q331-K334 PolarHBondContact O-N 2.96Å; Q331-K334 VanDerWaalsContact O-N 3.1Å; F332-K334 PolarHBondContact O-N 3.35Å
335T77.3Confident72.1Confident33 Ų3358.6 Ų58.620%0.20231%0.312CS..SBendtrans-101.2153.2171.969.30000109.3M327 F332 E337 G338 E339M327-T335 HydrophobicContact SD-CG2 4.15Å; F332-T335 WeakPolarHBondContact O-CB 3.12Å; F332-T335 PolarHBondContact O-N 3.12Å; F332-T335 PolarHBondContact O-OG1 3.32Å; T335-E337 PolarHBondContact O-N 2.86Å; T335-E337 VanDerWaalsContact O-N 3.11Å; T335-G338 WeakPolarHBondContact O-CA 3.29Å; T335-G338 PolarHBondContact O-N 3.3Å; T335-G338 PolarHBondContact OG1-N 2.99Å; T335-G338 VanDerWaalsContact OG1-N 3.15Å; T335-E339 PolarHBondContact O-N 3.04Å
336P71.8Confident70.8Confident93 Ų9362 Ų6260%0.60433%0.331SS*.Hα-helixtrans-57.2-26173.9-26.735.9000113.6A340P336-A340 WeakPolarHBondContact O-CB 3.39Å; P336-A340 PolarHBondContact O-N 3.4Å
337E68.8Low68.8Low93 Ų9365.4 Ų65.444%0.43536%0.361SS..Hα-helixtrans-70.2-39174-62.3178.3179.200111.7F332 T335 L341F332-E337 HydrophobicContact CE2-CB 3.96Å; F332-E337 HydrophobicContact CZ-CB 4.19Å; T335-E337 PolarHBondContact O-N 2.86Å; T335-E337 VanDerWaalsContact O-N 3.11Å; E337-L341 WeakPolarHBondContact O-CB 3.29Å; E337-L341 PolarHBondContact O-N 3.36Å
338G72.1Confident66.9Low0 Ų064.2 Ų64.20%036%0.356CS..Hα-helixtrans-70.8-37.8173.600000113.3T335 L341 L342T335-G338 WeakPolarHBondContact O-CA 3.29Å; T335-G338 PolarHBondContact O-N 3.3Å; T335-G338 PolarHBondContact OG1-N 2.99Å; T335-G338 VanDerWaalsContact OG1-N 3.15Å; G338-L341 PolarHBondContact O-N 2.92Å; G338-L342 WeakPolarHBondContact O-CG 3.47Å; G338-L342 PolarHBondContact O-N 3.38Å
339E69.8Low64.7Low107 Ų10769.2 Ų69.250%0.539%0.388SS..Hα-helixtrans-67.5-43.2174.3-67.7174.9165.400111.3T335 L341 L342 S343T335-E339 PolarHBondContact O-N 3.04Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 3.4Å; E339-L342 WeakPolarHBondContact O-CB 3.34Å; E339-L342 PolarHBondContact O-N 2.88Å; E339-S343 PolarHBondContact O-N 3.19Å; E339-S343 PolarHBondContact O-OG 2.94Å; E339-S343 VanDerWaalsContact O-OG 3.14Å
340A67.9Low62.8Low48 Ų4871.8 Ų71.840%0.39741%0.406SS..Hα-helixtrans-63.6-36.9172.600000112.4P336 S343 S344P336-A340 WeakPolarHBondContact O-CB 3.39Å; P336-A340 PolarHBondContact O-N 3.4Å; A340-S343 PolarHBondContact O-N 3.23Å; A340-S344 WeakPolarHBondContact O-CB 3.5Å; A340-S344 PolarHBondContact O-N 3.39Å
341L65.9Low61.2Low13 Ų1372.1 Ų72.17%0.06841%0.412CS..Hα-helixtrans-63.7-41.5173.7-168.1148.5000111.4M200 M203 F332 E337 G338 E339 S344 M345M200-L341 HydrophobicContact CE-CB 3.61Å; M200-L341 HydrophobicContact CE-CD1 3.95Å; M200-L341 HydrophobicContact CE-CG 4Å; M203-L341 HydrophobicContact CB-CD1 4.27Å; M203-L341 HydrophobicContact CG-CD1 4.19Å; F332-L341 HydrophobicContact CE1-CD1 4.25Å; E337-L341 WeakPolarHBondContact O-CB 3.29Å; E337-L341 PolarHBondContact O-N 3.36Å; G338-L341 PolarHBondContact O-N 2.92Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 3.4Å; L341-S344 PolarHBondContact O-N 3.3Å; L341-M345 HydrophobicContact CD2-CG 4.11Å; L341-M345 HydrophobicContact CD2-SD 3.62Å; L341-M345 WeakPolarHBondContact O-CB 3.45Å; L341-M345 VanDerWaalsContact O-CG 3.31Å; L341-M345 WeakPolarHBondContact O-CG 3.49Å; L341-M345 PolarHBondContact O-N 3.18Å
342L63.2Low59.2Low45 Ų4575.4 Ų75.424%0.23643%0.427CS..Hα-helixtrans-60.5-48.6172.1-76.5166.4000111.4M333 G338 E339 S344 M345 H346 M358M333-L342 HydrophobicContact CE-CD1 3.75Å; M333-L342 HydrophobicContact CE-CD2 3.79Å; M333-L342 HydrophobicContact CE-CG 3.54Å; M333-L342 HydrophobicContact SD-CD1 4.41Å; M333-L342 HydrophobicContact SD-CD2 4.47Å; G338-L342 WeakPolarHBondContact O-CG 3.47Å; G338-L342 PolarHBondContact O-N 3.38Å; E339-L342 WeakPolarHBondContact O-CB 3.34Å; E339-L342 PolarHBondContact O-N 2.88Å; L342-S344 VanDerWaalsContact C-N 3.35Å; L342-S344 PolarHBondContact O-N 3Å; L342-M345 WeakPolarHBondContact O-CB 3.38Å; L342-M345 PolarHBondContact O-N 3.21Å; L342-M345 VanDerWaalsContact O-N 3.15Å; L342-H346 PolarHBondContact O-CD2 3.42Å; L342-H346 PolarHBondContact O-N 3.14Å; L342-M358 HydrophobicContact CD2-CE 3.47Å; L342-M358 VanDerWaalsContact CD2-CE 3.47Å
343S59Low57.2Low82 Ų8277.5 Ų77.557%0.57344%0.444SS*.Hα-helixtrans-59.3-43.9178.5-570000112.4E339 A340 M345 H346 A347E339-S343 PolarHBondContact O-N 3.19Å; E339-S343 PolarHBondContact O-OG 2.94Å; E339-S343 VanDerWaalsContact O-OG 3.14Å; A340-S343 PolarHBondContact O-N 3.23Å; S343-M345 PolarHBondContact O-N 3.42Å; S343-H346 PolarHBondContact O-N 3.49Å; S343-A347 PolarHBondContact O-N 3.32Å; S343-A347 VanDerWaalsContact O-N 3.14Å
344S54.7Low55.5Low63 Ų6379.7 Ų79.744%0.44146%0.455SS..Hα-helixtrans-64.8-36.4175.31760000112.5A340 L341 L342 A347A340-S344 WeakPolarHBondContact O-CB 3.5Å; A340-S344 PolarHBondContact O-N 3.39Å; L341-S344 PolarHBondContact O-N 3.3Å; L342-S344 VanDerWaalsContact C-N 3.35Å; L342-S344 PolarHBondContact O-N 3Å; S344-A347 PolarHBondContact O-N 3.3Å
345M51.9Low53.5Low45 Ų4575.3 Ų75.322%0.22245%0.447CS..Hα-helixtrans-66.4-39.5172.2-77-176.566.800113K207 L341 L342 S343 A347 L348 M358K207-M345 HydrophobicContact CD-CE 4.21Å; K207-M345 HydrophobicContact CD-SD 4.43Å; K207-M345 PolarHBondContact NZ-SD 3.46Å; L341-M345 HydrophobicContact CD2-CG 4.11Å; L341-M345 HydrophobicContact CD2-SD 3.62Å; L341-M345 WeakPolarHBondContact O-CB 3.45Å; L341-M345 VanDerWaalsContact O-CG 3.31Å; L341-M345 WeakPolarHBondContact O-CG 3.49Å; L341-M345 PolarHBondContact O-N 3.18Å; L342-M345 WeakPolarHBondContact O-CB 3.38Å; L342-M345 PolarHBondContact O-N 3.21Å; L342-M345 VanDerWaalsContact O-N 3.15Å; S343-M345 PolarHBondContact O-N 3.42Å; M345-A347 VanDerWaalsContact C-N 3.25Å; M345-A347 PolarHBondContact O-N 3.34Å; M345-L348 WeakPolarHBondContact O-CB 3.44Å; M345-L348 PolarHBondContact O-N 3.01Å; M345-M358 HydrophobicContact CE-CE 4.17Å; M345-M358 HydrophobicContact CE-CG 4.29Å; M345-M358 HydrophobicContact CE-SD 3.6Å; M345-M358 VanDerWaalsContact CE-SD 3.6Å; M345-M358 HydrophobicContact SD-CE 4.28Å; M345-M358 HydrophobicContact SD-SD 4.3Å
346H51.3Low51.7Low150 Ų15077.3 Ų77.369%0.69446%0.463SS*.Hα-helixtrans-71.9-18.8179.3-74.1-60.8000113.3L342 S343 L348L342-H346 PolarHBondContact O-CD2 3.42Å; L342-H346 PolarHBondContact O-N 3.14Å; S343-H346 PolarHBondContact O-N 3.49Å; H346-L348 VanDerWaalsContact C-N 3.32Å
347A44.2Very low50.4Low81 Ų8176.2 Ų76.267%0.66945%0.452SS*.THydrogen-bonded Turntrans-75.7-16171.500000113.7S343 S344 M345 P349S343-A347 PolarHBondContact O-N 3.32Å; S343-A347 VanDerWaalsContact O-N 3.14Å; S344-A347 PolarHBondContact O-N 3.3Å; M345-A347 VanDerWaalsContact C-N 3.25Å; M345-A347 PolarHBondContact O-N 3.34Å; A347-P349 WeakPolarHBondContact O-CD 3.31Å
348L41.6Very low49.1Very low59 Ų5973.8 Ų73.831%0.30944%0.441SS..SBendtrans-77.9120.6176.6-74.1165.2000110.6P166 M345 H346 T350P166-L348 HydrophobicContact CG-CD2 4.27Å; M345-L348 WeakPolarHBondContact O-CB 3.44Å; M345-L348 PolarHBondContact O-N 3.01Å; H346-L348 VanDerWaalsContact C-N 3.32Å; L348-T350 PolarHBondContact O-N 3.41Å
349P34.2Very low47.6Very low127 Ų12779.5 Ų79.583%0.82547%0.472SS*.  trans-7388.8177.729.5-34.2000110.7A347A347-P349 WeakPolarHBondContact O-CD 3.31Å
350T39.7Very low46.7Very low72 Ų7281.6 Ų81.644%0.44248%0.475SS..  trans-144.8142.8169-600000109.2L348 M354L348-T350 PolarHBondContact O-N 3.41Å; T350-M354 HydrophobicContact CG2-CE 3.66Å; T350-M354 HydrophobicContact CG2-CG 3.96Å
351S39Very low45.8Very low83 Ų8382 Ų8258%0.5847%0.469SS*.  trans-66.8171.1-156.274.30000116S353 M354S351-S353 PolarHBondContact O-N 3.28Å; S351-M354 PolarHBondContact O-N 3.32Å
352Q36.6Very low44.9Very low181 Ų18184.9 Ų84.985%0.84648%0.484SS*.THydrogen-bonded Turntrans-49.1-19.3-178.8-71175.8-25.900115.7M354 A355Q352-M354 PolarHBondContact O-N 3.09Å; Q352-A355 WeakPolarHBondContact O-CB 3.19Å; Q352-A355 PolarHBondContact O-N 2.95Å; Q352-A355 VanDerWaalsContact O-N 3.14Å
353S40Very low43.9Very low59 Ų5987.7 Ų87.741%0.41351%0.508SS..Hα-helixtrans-59.8-32.9174.869.30000112.5S351 A355 S356 D357S351-S353 PolarHBondContact O-N 3.28Å; S353-A355 PolarHBondContact O-N 3.34Å; S353-S356 WeakPolarHBondContact CA-OG 3.25Å; S353-S356 PolarHBondContact O-N 3.44Å; S353-S356 VanDerWaalsContact O-N 3.12Å; S353-S356 PolarHBondContact O-OG 3.05Å; S353-D357 PolarHBondContact O-N 2.93Å
354M39.8Very low43.4Very low83 Ų8391.1 Ų91.141%0.40951%0.508SS..Hα-helixtrans-58-33.3176.6-73.4-71.1-179.300112.6T350 S351 Q352 M358T350-M354 HydrophobicContact CG2-CE 3.66Å; T350-M354 HydrophobicContact CG2-CG 3.96Å; S351-M354 PolarHBondContact O-N 3.32Å; Q352-M354 PolarHBondContact O-N 3.09Å; M354-M358 WeakPolarHBondContact O-CB 3.42Å; M354-M358 VanDerWaalsContact O-CG 3.25Å; M354-M358 WeakPolarHBondContact O-CG 3.44Å; M354-M358 PolarHBondContact O-N 3.35Å
355A35.2Very low43.1Very low64 Ų6492.8 Ų92.853%0.52951%0.507SS..Hα-helixtrans-69.8-43176.700000111.6Q352 S353 D357 M358 D359Q352-A355 WeakPolarHBondContact O-CB 3.19Å; Q352-A355 PolarHBondContact O-N 2.95Å; Q352-A355 VanDerWaalsContact O-N 3.14Å; S353-A355 PolarHBondContact O-N 3.34Å; A355-D357 VanDerWaalsContact C-N 3.34Å; A355-D357 PolarHBondContact O-N 3.36Å; A355-M358 PolarHBondContact O-N 3.39Å; A355-D359 PolarHBondContact O-N 2.89Å
356S38.1Very low43.3Very low75 Ų7590.9 Ų90.952%0.52450%0.499SS..Hα-helixtrans-67.6-31.417548.30000113.4S353 R360S353-S356 WeakPolarHBondContact CA-OG 3.25Å; S353-S356 PolarHBondContact O-N 3.44Å; S353-S356 VanDerWaalsContact O-N 3.12Å; S353-S356 PolarHBondContact O-OG 3.05Å; S356-R360 WeakPolarHBondContact O-CB 3.33Å; S356-R360 PolarHBondContact O-N 3.23Å
357D45.6Very low43.5Very low71 Ų7191 Ų9138%0.3850%0.497SS..Hα-helixtrans-76.3-33.4174.7-75.7-47.3000112.3S353 A355 R360 M361S353-D357 PolarHBondContact O-N 2.93Å; A355-D357 VanDerWaalsContact C-N 3.34Å; A355-D357 PolarHBondContact O-N 3.36Å; D357-R360 CarbonylContact O-C 3.57Å; D357-R360 WeakPolarHBondContact O-CA 3.33Å; D357-R360 WeakPolarHBondContact O-CB 3.34Å; D357-R360 PolarHBondContact O-N 3.08Å; D357-R360 IonicContact OD1-NH1 2.94Å; D357-M361 WeakPolarHBondContact O-CG 3.44Å; D357-M361 PolarHBondContact O-N 2.9Å
358M41.9Very low44.2Very low42 Ų4289.6 Ų89.621%0.20747%0.474CS..Hα-helixtrans-58.7-47.4170.8-80.8-76.4-75.600112.1L342 M345 M354 A355 R360 M361 L362L342-M358 HydrophobicContact CD2-CE 3.47Å; L342-M358 VanDerWaalsContact CD2-CE 3.47Å; M345-M358 HydrophobicContact CE-CE 4.17Å; M345-M358 HydrophobicContact CE-CG 4.29Å; M345-M358 HydrophobicContact CE-SD 3.6Å; M345-M358 VanDerWaalsContact CE-SD 3.6Å; M345-M358 HydrophobicContact SD-CE 4.28Å; M345-M358 HydrophobicContact SD-SD 4.3Å; M354-M358 WeakPolarHBondContact O-CB 3.42Å; M354-M358 VanDerWaalsContact O-CG 3.25Å; M354-M358 WeakPolarHBondContact O-CG 3.44Å; M354-M358 PolarHBondContact O-N 3.35Å; A355-M358 PolarHBondContact O-N 3.39Å; M358-R360 PolarHBondContact O-N 3.48Å; M358-M361 PolarHBondContact O-N 2.98Å; M358-M361 VanDerWaalsContact O-N 3.09Å; M358-L362 WeakPolarHBondContact O-CG 3.26Å; M358-L362 PolarHBondContact O-N 3.33Å
359D39.3Very low44.8Very low120 Ų12087.5 Ų87.564%0.64246%0.463SS*.Hα-helixtrans-61-35.8176.6-144.125.9000111.1A355 L362 S363A355-D359 PolarHBondContact O-N 2.89Å; D359-L362 PolarHBondContact O-N 3.5Å; D359-S363 PolarHBondContact O-N 3.28Å
360R51.2Low45.7Very low151 Ų15185.7 Ų85.757%0.5744%0.443SS*.Hα-helixtrans-71.5-29175.4-149.3177.4-163.2-177.66.8113.7S356 D357 M358 R364S356-R360 WeakPolarHBondContact O-CB 3.33Å; S356-R360 PolarHBondContact O-N 3.23Å; D357-R360 CarbonylContact O-C 3.57Å; D357-R360 WeakPolarHBondContact O-CA 3.33Å; D357-R360 WeakPolarHBondContact O-CB 3.34Å; D357-R360 PolarHBondContact O-N 3.08Å; D357-R360 IonicContact OD1-NH1 2.94Å; M358-R360 PolarHBondContact O-N 3.48Å; R360-R364 WeakPolarHBondContact O-CG 3.46Å
361M49.5Very low46.5Very low55 Ų5585.6 Ų85.627%0.27145%0.446SS..Hα-helixtrans-77.6-33.4172.2-71.9-178.178.200112.2R329 D357 M358 S363R329-M361 PolarHBondContact NH1-O 3.49Å; D357-M361 WeakPolarHBondContact O-CG 3.44Å; D357-M361 PolarHBondContact O-N 2.9Å; M358-M361 PolarHBondContact O-N 2.98Å; M358-M361 VanDerWaalsContact O-N 3.09Å; M361-S363 VanDerWaalsContact C-N 3.26Å; M361-S363 PolarHBondContact O-N 2.8Å
362L47.7Very low47.3Very low74 Ų7482 Ų8239%0.38742%0.42SS..Hα-helixtrans-69.3-23.9174.2-70.5170000112.8R329 M333 M358 D359R329-L362 HydrophobicContact CG-CD2 4.23Å; M333-L362 HydrophobicContact CG-CD2 4.41Å; M333-L362 HydrophobicContact SD-CD2 4.04Å; M358-L362 WeakPolarHBondContact O-CG 3.26Å; M358-L362 PolarHBondContact O-N 3.33Å; D359-L362 PolarHBondContact O-N 3.5Å
363S41.9Very low48Very low104 Ų10476.4 Ų76.473%0.72739%0.394SS*.THydrogen-bonded Turntrans-86.3-12.9179.1-166.90000114.7D359 M361D359-S363 PolarHBondContact O-N 3.28Å; M361-S363 VanDerWaalsContact C-N 3.26Å; M361-S363 PolarHBondContact O-N 2.8Å
364R48.8Very low48.6Very low154 Ų15479.3 Ų79.358%0.58141%0.405SS*.PPolyproline II helixtrans-98.2118.3-175.9-74.1177-177.3-175.24.4112.5R360R360-R364 WeakPolarHBondContact O-CG 3.46Å
365K47.4Very low49.2Very low98 Ų9881.1 Ų81.143%0.42642%0.416SS..PPolyproline II helixtrans-99.2127.9164.3-76.2-174.8162.4-170.70111.1F369 Q370 E373K365-F369 HydrophobicContact CB-CD1 4.5Å; K365-F369 HydrophobicContact CD-CD1 4.16Å; K365-F369 HydrophobicContact CD-CE1 4.14Å; K365-F369 HydrophobicContact CG-CD1 4.31Å; K365-Q370 HydrophobicContact CB-CG 4.04Å; K365-Q370 HydrophobicContact CD-CG 4.42Å; K365-Q370 PolarHBondContact O-NE2 3.28Å; K365-E373 IonicContact NZ-OE1 3.29Å; K365-E373 PolarHBondContact NZ-OE1 3Å; K365-E373 IonicContact NZ-OE2 2.72Å; K365-E373 PolarHBondContact NZ-OE2 3.47Å
366S55.7Low49.8Very low6 Ų683.6 Ų83.64%0.04242%0.417CS..PPolyproline II helixtrans-54.8150.3169.8159.60000112.1D265 R368 Q370D265-S366 WeakPolarHBondContact OD2-CB 3.27Å; D265-S366 PolarHBondContact OD2-OG 3.07Å; S366-R368 VanDerWaalsContact C-N 3.27Å; S366-R368 PolarHBondContact O-N 3.12Å; S366-R368 PolarHBondContact OG-N 3.01Å; S366-Q370 VanDerWaalsContact O-CG 3.31Å; S366-Q370 WeakPolarHBondContact O-CG 3.3Å; S366-Q370 PolarHBondContact O-N 3.19Å
367K56.7Low50.1Low152 Ų15286.4 Ų86.466%0.66143%0.426SS*.Hα-helixtrans-65.3-32.4174-60.3167.2-168.4148.60111.7S371K367-S371 PolarHBondContact O-N 3.31Å; K367-S371 VanDerWaalsContact O-N 3.12Å; K367-S371 PolarHBondContact O-OG 2.99Å
368R57.5Low49.9Very low51 Ų5186.4 Ų86.419%0.19243%0.431CS..Hα-helixtrans-72.3-48.6178.8-162.8166.5-172.7145.51.8109.9Y261 E268 D304 S366 Q370 S371 V372Y261-R368 HydrophobicContact CD1-CB 3.98Å; Y261-R368 HydrophobicContact CD1-CG 3.91Å; Y261-R368 HydrophobicContact CE1-CB 4.19Å; Y261-R368 HydrophobicContact CE1-CG 3.66Å; Y261-R368 HydrophobicContact CG-CB 4.47Å; E268-R368 IonicContact OE2-CZ 3.61Å; E268-R368 IonicContact OE2-NH1 2.73Å; E268-R368 PolarHBondContact OE2-NH1 3.12Å; D304-R368 IonicContact OD1-CZ 2.99Å; D304-R368 IonicContact OD1-NE 3.85Å; D304-R368 PolarHBondContact OD1-NE 2.99Å; D304-R368 IonicContact OD1-NH2 2.8Å; D304-R368 IonicContact OD2-CZ 3.35Å; D304-R368 IonicContact OD2-NE 3.27Å; D304-R368 PolarHBondContact OD2-NE 2.83Å; D304-R368 IonicContact OD2-NH2 3.78Å; D304-R368 PolarHBondContact OD2-NH2 3.09Å; S366-R368 VanDerWaalsContact C-N 3.27Å; S366-R368 PolarHBondContact O-N 3.12Å; S366-R368 PolarHBondContact OG-N 3.01Å; R368-Q370 VanDerWaalsContact C-N 3.34Å; R368-Q370 PolarHBondContact O-N 2.9Å; R368-S371 WeakPolarHBondContact O-CA 3.06Å; R368-S371 WeakPolarHBondContact O-CB 3.17Å; R368-S371 PolarHBondContact O-N 3.3Å; R368-V372 WeakPolarHBondContact O-CG2 3.47Å; R368-V372 PolarHBondContact O-N 3.21Å
369F54.4Low49.4Very low16 Ų1687.8 Ų87.87%0.0746%0.456CS..Hα-helixtrans-52.3-49.3170.2-175.8-85.5000111.9Q257 Y261 K365 S371 V372 E373Q257-F369 HydrophobicContact CB-CE2 4.45Å; Q257-F369 VanDerWaalsContact OE1-CE2 3.28Å; Y261-F369 HydrophobicContact CD2-CB 3.91Å; Y261-F369 HydrophobicContact CD2-CD2 4.14Å; Y261-F369 HydrophobicContact CE2-CB 4.37Å; Y261-F369 HydrophobicContact CE2-CD2 4.3Å; K365-F369 HydrophobicContact CB-CD1 4.5Å; K365-F369 HydrophobicContact CD-CD1 4.16Å; K365-F369 HydrophobicContact CD-CE1 4.14Å; K365-F369 HydrophobicContact CG-CD1 4.31Å; F369-S371 VanDerWaalsContact C-N 3.25Å; F369-S371 PolarHBondContact O-N 3.25Å; F369-V372 PolarHBondContact O-N 2.66Å; F369-E373 HydrophobicContact CD1-CB 4.45Å; F369-E373 HydrophobicContact CE1-CB 4.23Å; F369-E373 HydrophobicContact CE1-CG 4.39Å; F369-E373 VanDerWaalsContact O-CB 3.25Å; F369-E373 WeakPolarHBondContact O-CB 3.34Å; F369-E373 PolarHBondContact O-N 3.13Å
370Q53.4Low49.1Very low88 Ų8889.7 Ų89.741%0.41147%0.465SS..Hα-helixtrans-59.2-33.7176.2-72.2173.450.800113.1K365 S366 R368 N374K365-Q370 HydrophobicContact CB-CG 4.04Å; K365-Q370 HydrophobicContact CD-CG 4.42Å; K365-Q370 PolarHBondContact O-NE2 3.28Å; S366-Q370 VanDerWaalsContact O-CG 3.31Å; S366-Q370 WeakPolarHBondContact O-CG 3.3Å; S366-Q370 PolarHBondContact O-N 3.19Å; R368-Q370 VanDerWaalsContact C-N 3.34Å; R368-Q370 PolarHBondContact O-N 2.9Å; Q370-N374 WeakPolarHBondContact O-CB 3.27Å; Q370-N374 PolarHBondContact O-N 3.27Å; Q370-N374 PolarHBondContact O-ND2 3.06Å
371S56.8Low48.2Very low70 Ų7088 Ų8849%0.4948%0.477SS..Hα-helixtrans-72.8-41.8177-57.60000111.8K367 R368 F369 N374 L375K367-S371 PolarHBondContact O-N 3.31Å; K367-S371 VanDerWaalsContact O-N 3.12Å; K367-S371 PolarHBondContact O-OG 2.99Å; R368-S371 WeakPolarHBondContact O-CA 3.06Å; R368-S371 WeakPolarHBondContact O-CB 3.17Å; R368-S371 PolarHBondContact O-N 3.3Å; F369-S371 VanDerWaalsContact C-N 3.25Å; F369-S371 PolarHBondContact O-N 3.25Å; S371-N374 PolarHBondContact O-N 3.39Å; S371-L375 WeakPolarHBondContact O-CG 3.2Å; S371-L375 PolarHBondContact O-N 3.4Å
372V56.2Low47.2Very low8 Ų893 Ų935%0.04850%0.497CS..Hα-helixtrans-67.6-43.1177176.40000111.3D304 R368 F369 N374 L375 Q376D304-V372 WeakPolarHBondContact O-CG1 3.24Å; D304-V372 WeakPolarHBondContact O-CG2 3.38Å; R368-V372 WeakPolarHBondContact O-CG2 3.47Å; R368-V372 PolarHBondContact O-N 3.21Å; F369-V372 PolarHBondContact O-N 2.66Å; V372-N374 VanDerWaalsContact C-N 3.32Å; V372-N374 PolarHBondContact O-N 2.9Å; V372-L375 PolarHBondContact O-N 3.2Å; V372-L375 VanDerWaalsContact O-N 3.13Å; V372-Q376 HydrophobicContact CG1-CG 4.26Å; V372-Q376 WeakPolarHBondContact O-CG 3.43Å; V372-Q376 PolarHBondContact O-N 3.38Å
373E52Low46.3Very low63 Ų6394.8 Ų94.829%0.29452%0.516SS..Hα-helixtrans-59.6-40.5175.1-173.7177.2-143.100111.3K365 F369 N377K365-E373 IonicContact NZ-OE1 3.29Å; K365-E373 PolarHBondContact NZ-OE1 3Å; K365-E373 IonicContact NZ-OE2 2.72Å; K365-E373 PolarHBondContact NZ-OE2 3.47Å; F369-E373 HydrophobicContact CD1-CB 4.45Å; F369-E373 HydrophobicContact CE1-CB 4.23Å; F369-E373 HydrophobicContact CE1-CG 4.39Å; F369-E373 VanDerWaalsContact O-CB 3.25Å; F369-E373 WeakPolarHBondContact O-CB 3.34Å; F369-E373 PolarHBondContact O-N 3.13Å; E373-N377 WeakPolarHBondContact O-CB 3.33Å; E373-N377 PolarHBondContact O-N 3.19Å; E373-N377 PolarHBondContact O-ND2 3.29Å
374N50.9Low45.8Very low120 Ų12096.5 Ų96.564%0.64252%0.522SS*.Hα-helixtrans-68.2-35.9173.9-81.7-59.2000113.2Q370 S371 V372Q370-N374 WeakPolarHBondContact O-CB 3.27Å; Q370-N374 PolarHBondContact O-N 3.27Å; Q370-N374 PolarHBondContact O-ND2 3.06Å; S371-N374 PolarHBondContact O-N 3.39Å; V372-N374 VanDerWaalsContact C-N 3.32Å; V372-N374 PolarHBondContact O-N 2.9Å
375L52.3Low44.7Very low122 Ų12295.5 Ų95.564%0.63953%0.533SS*.Hα-helixtrans-69.7-46.8176.7-75.8165.4000111.8S371 V372 N377 S378S371-L375 WeakPolarHBondContact O-CG 3.2Å; S371-L375 PolarHBondContact O-N 3.4Å; V372-L375 PolarHBondContact O-N 3.2Å; V372-L375 VanDerWaalsContact O-N 3.13Å; L375-N377 VanDerWaalsContact C-N 3.31Å; L375-N377 PolarHBondContact O-N 3.05Å; L375-S378 WeakPolarHBondContact O-CB 3.25Å; L375-S378 PolarHBondContact O-N 3.33Å; L375-S378 PolarHBondContact O-OG 2.89Å
376Q49.6Very low43.6Very low116 Ų11697.5 Ų97.554%0.54255%0.548SS..Hα-helixtrans-63.1-36.1-179.7-70.5177.6-0.600112.3V372 S378V372-Q376 HydrophobicContact CG1-CG 4.26Å; V372-Q376 WeakPolarHBondContact O-CG 3.43Å; V372-Q376 PolarHBondContact O-N 3.38Å; Q376-S378 PolarHBondContact O-N 3.31Å
377N43.2Very low42.3Very low134 Ų134102.4 Ų102.472%0.71758%0.578SS**THydrogen-bonded Turntrans-72.3-4.1175-77-58.7000114.6E373 L375E373-N377 WeakPolarHBondContact O-CB 3.33Å; E373-N377 PolarHBondContact O-N 3.19Å; E373-N377 PolarHBondContact O-ND2 3.29Å; L375-N377 VanDerWaalsContact C-N 3.31Å; L375-N377 PolarHBondContact O-N 3.05Å
378S41Very low40.8Very low70 Ų70101.8 Ų101.849%0.4958%0.582SS.*THydrogen-bonded Turntrans-90.5-13.2-173.775.70000115.9L375 Q376 L380L375-S378 WeakPolarHBondContact O-CB 3.25Å; L375-S378 PolarHBondContact O-N 3.33Å; L375-S378 PolarHBondContact O-OG 2.89Å; Q376-S378 PolarHBondContact O-N 3.31Å; S378-L380 VanDerWaalsContact C-N 3.35Å; S378-L380 PolarHBondContact O-N 3Å
379G31.9Very low39.2Very low71 Ų71109 Ų10973%0.73262%0.615SS**  trans67.613.9163.100000118.4
380L32.6Very low37.9Very low161 Ų161116.8 Ų116.884%0.84365%0.651SS**  trans-96.6113.1-177.5-84.3160000113.2S378 K382S378-L380 VanDerWaalsContact C-N 3.35Å; S378-L380 PolarHBondContact O-N 3Å; L380-K382 PolarHBondContact O-N 3.19Å
381S32Very low36.8Very low116 Ų116117.2 Ų117.281%0.81166%0.662SS**  trans-71.4122-179-67.60000114.3S383S381-S383 PolarHBondContact O-N 3.34Å
382K30.2Very low35.4Very low158 Ų158122.4 Ų122.469%0.68768%0.678SS**  trans10.193.8151.3-60.3-174.7178.8-177.30116.9D307 L380D307-K382 IonicContact OD1-NZ 3.57Å; D307-K382 PolarHBondContact OD1-NZ 3.06Å; D307-K382 IonicContact OD2-NZ 2.58Å; D307-K382 PolarHBondContact OD2-NZ 3.22Å; L380-K382 PolarHBondContact O-N 3.19Å
383S27.1Very low34.1Very low113 Ų113128.2 Ų128.279%0.7971%0.714SS**  trans-168.294.7151.3-174.30000113S381S381-S383 PolarHBondContact O-N 3.34Å
384V31.1Very low32.9Very low140 Ų140134.7 Ų134.785%0.84874%0.741SS**  trans-153.2125.1136.9169.60000106.4
385T26.6Very low31.8Very low132 Ų132137.4 Ų137.481%0.8175%0.749SS**  trans-93.3148.5164.644.70000110.6
386N25Very low30.7Very low141 Ų141136.9 Ų136.975%0.75475%0.752SS**  trans83.2149.8155-149.61.9000119
387T26.8Very low29.6Very low109 Ų109140.1 Ų140.167%0.66977%0.767SS**  trans68.2117.5171.463.60000120.3
388N25.2Very low28.8Very low139 Ų139142.2 Ų142.274%0.74377%0.772SS**  trans23.7130.5137-49.6-19.3000119.5
389F25.6Very low28.3Very low202 Ų202148.1 Ų148.189%0.88679%0.789SS**  -169.8168.996-113.2-81.8000113.5
390H26.7Very low28.2Very low179 Ų179153 Ų15383%0.82980%0.797SS**  trans-82.8157.3177.6-135.540.7000111.4
391P29.8Very low27.8Very low97 Ų97151 Ų15163%0.6379%0.791SS**  trans-85.8152.4-167.834.3-36000114.1
392H27.3Very low27.6Very low179 Ų179153 Ų15383%0.82979%0.793SS**  trans-177.8159.4137.3-98.4-57.5000114.1
393T28.6Very low27.5Very low131 Ų131150 Ų15080%0.80480%0.797SS**  trans64.9100.6156.642.70000122.2
394K26.6Very low27.6Very low198 Ų198154.6 Ų154.686%0.86180%0.804SS**  trans-6.7134.6142.6-46.9171.3-178.1179.30118.3
395Q27.5Very low27.4Very low177 Ų177156.5 Ų156.583%0.82781%0.808SS**  175.3151.5105.3-98.8-176.9-4400115.7
396T29.6Very low27.5Very low111 Ų111154.3 Ų154.368%0.68180%0.803SS**  trans59.1107.3151.550.60000123.9
397E27.2Very low27.8Very low185 Ų185157.4 Ų157.486%0.86481%0.81SS**  86.9149.5121.5-66.3-161.6149.900124.4
398H26.9Very low28Very low177 Ų177161.8 Ų161.882%0.81982%0.823SS**  trans-81.5149.4-179.6-72.7-136.4000113.3
399K28.7Very low28Very low195 Ų195158.3 Ų158.385%0.84882%0.82SS**  171.5109.9121.1-92.5152-173.1160.80112.5
400L30.7Very low28Very low174 Ų174158.2 Ų158.291%0.91182%0.819SS**  trans-172.5141.8132.9-105.7158.5000110.4
401V25.4Very low28.1Very low117 Ų117157 Ų15771%0.70981%0.814SS**  trans-145.7140.8-167.1165.50000109.3
402N26.4Very low27.9Very low158 Ų158158.1 Ų158.185%0.84581%0.814SS**  trans52.2103.7165.8-61.8-11.7000118.5
403A29.2Very low27.9Very low95 Ų95157.8 Ų157.879%0.78581%0.813SS**  trans-146.5-8167.700000117.1
404F27.7Very low27.7Very low211 Ų211158.3 Ų158.393%0.92581%0.811SS**  trans-131.186.7-176-93-88.8000113.7
405L27.6Very low27.8Very low179 Ų179156.9 Ų156.994%0.93781%0.812SS**  trans-131.898.6165.9-92.6172.1000109.4
406A28.4Very low27.8Very low86 Ų86153 Ų15371%0.71180%0.804SS**  trans173128.5150.400000111.3
407K31.9Very low27.7Very low206 Ų206158.3 Ų158.390%0.89681%0.812SS**  trans67.3141-176.7-45.6171.5-176174.60112.2
408E30Very low27.7Very low201 Ų201156.9 Ų156.994%0.93981%0.81SS**  cis-117.4-177.712.7-64.2-173.4127.800112.6
409G26Very low27.7Very low66 Ų66155.7 Ų155.768%0.6881%0.81SS**  trans-140.4165.4-179.400000113.1
410K26.4Very low27.8Very low201 Ų201156.3 Ų156.387%0.87481%0.812SS**  trans65.390.3-179-53.3175.6-179.21770115.2
411H27.3Very low27.6Very low154 Ų154158.6 Ų158.671%0.71381%0.809SS**  -175.1168.4114.3-103.2-44000114.8K942H411-K942 PolarHBondContact CD2-NZ 2.77Å; H411-K942 VanDerWaalsContact CD2-NZ 3.32Å; H411-K942 PolarHBondContact CE1-NZ 3.27Å; H411-K942 PolarHBondContact ND1-NZ 3.21Å; H411-K942 VanDerWaalsContact ND1-NZ 3.15Å; H411-K942 PolarHBondContact NE2-NZ 3.43Å
412N27.3Very low27.9Very low120 Ų120159.4 Ų159.464%0.64280%0.803SS**  trans72.777.2164.6-62.23.5000117.4K942N412-K942 WeakPolarHBondContact OD1-CE 3.29Å; N412-K942 PolarHBondContact OD1-NZ 2.88Å
413E26.7Very low28.1Very low171 Ų171155 Ų15580%0.79978%0.783SS**  -54163.2128.9-57.6158.2133.600110.3
414N24.2Very low28.2Very low142 Ų142158.6 Ų158.676%0.75978%0.784SS**  trans81.679.5174.5-45.7-87.5000117
415L28.6Very low28.4Very low169 Ų169153.7 Ų153.789%0.88577%0.765SS**  -111.1116.7127.1-79.984.5000105.6
416S27.1Very low28.6Very low95 Ų95148.9 Ų148.966%0.66474%0.74SS**  77.510285.5-155.60000110.2
417R27.5Very low28.9Very low222 Ų222147.1 Ų147.184%0.83873%0.731SS**  51.7107.981.4-70.6176.5156.4162-8.3109.1
418D27Very low28.8Very low155 Ų155144.9 Ų144.983%0.82972%0.717SS**  -152.6130.850.4-74.8-48.9000113.1
419D27.9Very low29.1Very low153 Ų153139.2 Ų139.282%0.81869%0.693SS**  trans-166114.1149-138.8-26000112.1
420K29.5Very low29.5Very low207 Ų207139.7 Ų139.790%0.968%0.68SS**  trans-16247.7175.2-79.3-149.7174.8-167.30112.9
421R27Very low29.9Very low222 Ų222134.3 Ų134.384%0.83866%0.661SS**  trans-142.967.4175-81.2-160.5-73.7-150.3-3.9115.7
422K31.6Very low30.3Very low135 Ų135130.9 Ų130.959%0.58765%0.647SS**  trans-177.7161.6151.2-102.5174.4179.3-174.30106.7E199E199-K422 IonicContact OE1-NZ 2.84Å; E199-K422 PolarHBondContact OE1-NZ 3.37Å; E199-K422 IonicContact OE2-NZ 2.7Å; E199-K422 PolarHBondContact OE2-NZ 3.1Å
423P31.9Very low30.7Very low65 Ų65128.9 Ų128.942%0.42264%0.639SS.*  cis-124.9118.8235.2-17.4000113.9M425P423-M425 PolarHBondContact O-N 3.05Å
424E30.4Very low31.1Very low171 Ų171125.6 Ų125.680%0.79962%0.622SS**SBendtrans-85.18.8163.5-67.5-159.8136.800112.8
425M33.1Very low31.7Very low108 Ų108123 Ų12353%0.53261%0.607SS.*  trans-89.2-23.5-174.1-143.5163.2-168.300113.6P423 G427 Y428 I429P423-M425 PolarHBondContact O-N 3.05Å; M425-G427 PolarHBondContact O-N 3.32Å; M425-Y428 PolarHBondContact O-N 2.88Å; M425-I429 PolarHBondContact O-N 3.45Å
426N31.8Very low31.9Very low77 Ų77119.3 Ų119.341%0.41259%0.586SS.*Hα-helixtrans-65.6-26-175.2-65.118.8000112.4Y428 D430N426-Y428 PolarHBondContact O-N 3.24Å; N426-D430 WeakPolarHBondContact O-CB 3.29Å; N426-D430 PolarHBondContact O-N 3.37Å
427G33.5Very low32.1Very low50 Ų50121.9 Ų121.952%0.51559%0.585SS.*Hα-helixtrans-71.1-8.7173.500000115M425 N431M425-G427 PolarHBondContact O-N 3.32Å; G427-N431 PolarHBondContact O-ND2 2.82Å
428Y30.2Very low32.4Very low158 Ų158116.2 Ų116.262%0.6257%0.571SS**Hα-helixtrans-104.8-38.1174.8-146.5-102.6000111.8M425 N426 N431 L432M425-Y428 PolarHBondContact O-N 2.88Å; N426-Y428 PolarHBondContact O-N 3.24Å; Y428-N431 PolarHBondContact O-N 3.13Å; Y428-L432 HydrophobicContact CD1-CD1 4.15Å; Y428-L432 HydrophobicContact CE1-CD1 4.45Å; Y428-L432 PolarHBondContact O-N 3.34Å
429I36.9Very low32.6Very low82 Ų82116.6 Ų116.642%0.42156%0.561SS.*Hα-helixtrans-63.4-48.4172.9-61.2173.7000110.3M425 N431 L432 T433M425-I429 PolarHBondContact O-N 3.45Å; I429-N431 PolarHBondContact O-N 2.97Å; I429-L432 PolarHBondContact O-N 3.38Å; I429-T433 PolarHBondContact O-N 2.9Å; I429-T433 PolarHBondContact O-OG1 2.96Å; I429-T433 VanDerWaalsContact O-OG1 3.12Å
430D34.5Very low32.8Very low76 Ų76115.6 Ų115.641%0.40656%0.555SS.*Hα-helixtrans-61.8-27.4178.9-176.654000112.7N426 K434N426-D430 WeakPolarHBondContact O-CB 3.29Å; N426-D430 PolarHBondContact O-N 3.37Å; D430-K434 VanDerWaalsContact O-CB 3.24Å; D430-K434 WeakPolarHBondContact O-CB 3.45Å; D430-K434 WeakPolarHBondContact O-CD 3.35Å; D430-K434 WeakPolarHBondContact O-CG 3.43Å; D430-K434 PolarHBondContact O-N 2.94Å; D430-K434 VanDerWaalsContact OD1-CE 3.25Å; D430-K434 WeakPolarHBondContact OD1-CE 3.36Å; D430-K434 IonicContact OD1-NZ 2.61Å; D430-K434 PolarHBondContact OD1-NZ 3.48Å; D430-K434 IonicContact OD2-NZ 3.15Å; D430-K434 PolarHBondContact OD2-NZ 3.38Å
431N33.2Very low32.9Very low89 Ų89109.3 Ų109.348%0.47654%0.542SS..Hα-helixtrans-77.4-38170.8-85.9-65000113.1G427 Y428 I429 K434 I435G427-N431 PolarHBondContact O-ND2 2.82Å; Y428-N431 PolarHBondContact O-N 3.13Å; I429-N431 PolarHBondContact O-N 2.97Å; N431-K434 PolarHBondContact O-N 3Å; N431-I435 VanDerWaalsContact O-CB 3.32Å; N431-I435 WeakPolarHBondContact O-CB 3.34Å; N431-I435 WeakPolarHBondContact O-CD1 3.45Å; N431-I435 WeakPolarHBondContact O-CG1 3.36Å; N431-I435 PolarHBondContact O-N 3.44Å
432L36.2Very low33.2Very low82 Ų82103.2 Ų103.243%0.42953%0.533SS..Hα-helixtrans-64.2-47.1173-79.4164.5000111.1Y428 I429 K434 I435 Q436Y428-L432 HydrophobicContact CD1-CD1 4.15Å; Y428-L432 HydrophobicContact CE1-CD1 4.45Å; Y428-L432 PolarHBondContact O-N 3.34Å; I429-L432 PolarHBondContact O-N 3.38Å; L432-K434 PolarHBondContact O-N 3.43Å; L432-I435 PolarHBondContact O-N 2.73Å; L432-Q436 PolarHBondContact O-N 3.02Å
433T34.8Very low33.1Very low77 Ų77103.9 Ų103.947%0.47254%0.543SS..Hα-helixtrans-60.7-42.8175.2-50.10000111.2I429 Q436 F437I429-T433 PolarHBondContact O-N 2.9Å; I429-T433 PolarHBondContact O-OG1 2.96Å; I429-T433 VanDerWaalsContact O-OG1 3.12Å; T433-Q436 PolarHBondContact O-N 3.31Å; T433-F437 WeakPolarHBondContact O-CB 3.41Å; T433-F437 PolarHBondContact O-N 3.25Å
434K35.5Very low32.9Very low103 Ų103109.1 Ų109.145%0.44856%0.562SS.*Hα-helixtrans-68.7-31.5175.7-76.9166.6-179.5156.40113.7D430 N431 L432 N438D430-K434 VanDerWaalsContact O-CB 3.24Å; D430-K434 WeakPolarHBondContact O-CB 3.45Å; D430-K434 WeakPolarHBondContact O-CD 3.35Å; D430-K434 WeakPolarHBondContact O-CG 3.43Å; D430-K434 PolarHBondContact O-N 2.94Å; D430-K434 VanDerWaalsContact OD1-CE 3.25Å; D430-K434 WeakPolarHBondContact OD1-CE 3.36Å; D430-K434 IonicContact OD1-NZ 2.61Å; D430-K434 PolarHBondContact OD1-NZ 3.48Å; D430-K434 IonicContact OD2-NZ 3.15Å; D430-K434 PolarHBondContact OD2-NZ 3.38Å; N431-K434 PolarHBondContact O-N 3Å; L432-K434 PolarHBondContact O-N 3.43Å; K434-N438 WeakPolarHBondContact O-CB 3.38Å; K434-N438 PolarHBondContact O-N 3.43Å; K434-N438 PolarHBondContact O-ND2 2.97Å
435I36.5Very low32.9Very low86 Ų86109.1 Ų109.144%0.44157%0.567SS.*Hα-helixtrans-74.7-39.3175.3-71.1165.9000111.1N431 L432 R439N431-I435 VanDerWaalsContact O-CB 3.32Å; N431-I435 WeakPolarHBondContact O-CB 3.34Å; N431-I435 WeakPolarHBondContact O-CD1 3.45Å; N431-I435 WeakPolarHBondContact O-CG1 3.36Å; N431-I435 PolarHBondContact O-N 3.44Å; L432-I435 PolarHBondContact O-N 2.73Å; I435-R439 VanDerWaalsContact O-CB 3.28Å; I435-R439 WeakPolarHBondContact O-CB 3.42Å; I435-R439 VanDerWaalsContact O-CG 3.24Å; I435-R439 WeakPolarHBondContact O-CG 3.19Å; I435-R439 PolarHBondContact O-N 2.86Å
436Q34.3Very low32.7Very low93 Ų93107.4 Ų107.444%0.43558%0.577SS.*Hα-helixtrans-65.7-47.8171.6-75.9177-73.100111E164 L432 T433 N438 R439 L440E164-Q436 PolarHBondContact OE1-NE2 3.37Å; L432-Q436 PolarHBondContact O-N 3.02Å; T433-Q436 PolarHBondContact O-N 3.31Å; Q436-N438 PolarHBondContact O-N 3.5Å; Q436-R439 PolarHBondContact O-N 3.48Å; Q436-L440 WeakPolarHBondContact O-CB 3.41Å; Q436-L440 VanDerWaalsContact O-CG 3.32Å; Q436-L440 WeakPolarHBondContact O-CG 3.37Å; Q436-L440 PolarHBondContact O-N 3.43Å
437F31.4Very low32.6Very low149 Ų149113.3 Ų113.365%0.65460%0.603SS**Hα-helixtrans-64.9-41.8-179-153.4-91.4000112.3T433 L440 A441T433-F437 WeakPolarHBondContact O-CB 3.41Å; T433-F437 PolarHBondContact O-N 3.25Å; F437-L440 PolarHBondContact O-N 2.85Å; F437-A441 WeakPolarHBondContact O-CB 3.44Å; F437-A441 PolarHBondContact O-N 3.1Å
438N32.5Very low32.4Very low102 Ų102115 Ų11555%0.54561%0.612SS.*Hα-helixtrans-73.3-26176.5-70.2-19.2000113.3K434 Q436 S442K434-N438 WeakPolarHBondContact O-CB 3.38Å; K434-N438 PolarHBondContact O-N 3.43Å; K434-N438 PolarHBondContact O-ND2 2.97Å; Q436-N438 PolarHBondContact O-N 3.5Å; N438-S442 WeakPolarHBondContact O-CB 3.34Å; N438-S442 PolarHBondContact O-N 3.18Å; N438-S442 PolarHBondContact O-OG 2.72Å
439R31.9Very low32.4Very low164 Ų164112.1 Ų112.162%0.61961%0.611SS**Hα-helixtrans-74.7-39.6171.9-78.1178.6177-174.5-1112.1I435 Q436I435-R439 VanDerWaalsContact O-CB 3.28Å; I435-R439 WeakPolarHBondContact O-CB 3.42Å; I435-R439 VanDerWaalsContact O-CG 3.24Å; I435-R439 WeakPolarHBondContact O-CG 3.19Å; I435-R439 PolarHBondContact O-N 2.86Å; Q436-R439 PolarHBondContact O-N 3.48Å
440L31.5Very low32.2Very low132 Ų132113.1 Ų113.169%0.69161%0.613SS**Hα-helixtrans-70.2-40.9175.9-68.4168.1000111.6Q436 F437 S442Q436-L440 WeakPolarHBondContact O-CB 3.41Å; Q436-L440 VanDerWaalsContact O-CG 3.32Å; Q436-L440 WeakPolarHBondContact O-CG 3.37Å; Q436-L440 PolarHBondContact O-N 3.43Å; F437-L440 PolarHBondContact O-N 2.85Å; L440-S442 PolarHBondContact O-N 3.11Å
441A33Very low32.2Very low74 Ų74116 Ų11661%0.61262%0.622SS**THydrogen-bonded Turntrans-73.5-3.4178.700000115.2F437F437-A441 WeakPolarHBondContact O-CB 3.44Å; F437-A441 PolarHBondContact O-N 3.1Å
442S31.9Very low32Very low94 Ų94119.4 Ų119.466%0.65764%0.64SS**THydrogen-bonded Turntrans-1121.8-178.2-56.30000114.4N438 L440N438-S442 WeakPolarHBondContact O-CB 3.34Å; N438-S442 PolarHBondContact O-N 3.18Å; N438-S442 PolarHBondContact O-OG 2.72Å; L440-S442 PolarHBondContact O-N 3.11Å
443N30.3Very low31.9Very low150 Ų150121.1 Ų121.180%0.80266%0.656SS**SBendtrans-138.224.1-170.9-112-1.3000115.1
444E27.7Very low31.6Very low174 Ų174124.5 Ų124.581%0.81367%0.666SS**  trans-127.493.3166.2-70.4-163.9148.500110.9
445N30.1Very low31.4Very low171 Ų171127.2 Ų127.291%0.91468%0.678SS**  trans-16399.3163.9-100.3-52.2000111.5
446G29.1Very low31.2Very low72 Ų72130 Ų13074%0.74269%0.694SS**  trans81.6148.6168.800000116.3
447E28.7Very low31.1Very low202 Ų202133.6 Ų133.694%0.94471%0.71SS**  cis-150.1142.3-8.4-63.1-174.8112.600109.7
448A29.9Very low31.2Very low86 Ų86130.5 Ų130.571%0.71171%0.705SS**  trans-159.9114.1167.900000114.4
449T30.9Very low31.1Very low97 Ų97132.7 Ų132.760%0.59572%0.716SS**  trans72.5153.9161.481.80000117.2
450H32.4Very low31Very low102 Ų102129.8 Ų129.847%0.47272%0.717SS.*  cis-156.3167.920-117.2-55.7000113S554 T555H450-S554 PolarHBondContact CD2-OG 3.45Å; H450-S554 VanDerWaalsContact CD2-OG 3.25Å; H450-S554 PolarHBondContact NE2-OG 3.02Å; H450-T555 HydrophobicContact CB-CG2 3.71Å; H450-T555 PolarHBondContact CD2-OG1 3.32Å; H450-T555 PolarHBondContact NE2-OG1 3.39Å
451K35Very low30.9Very low137 Ų137131 Ų13160%0.59672%0.724SS**  trans82.383.4157.6-70.6170.3170.81770121.8T555 F556K451-T555 HydrophobicContact CD-CG2 4.02Å; K451-T555 HydrophobicContact CG-CG2 4.41Å; K451-F556 PolarHBondContact NZ-O 2.62Å
452L27.9Very low30.8Very low161 Ų161130.5 Ų130.584%0.84373%0.726SS**  -1.4158.8117.3-79.4165.6000119.1
453P34.2Very low30.6Very low118 Ų118134.9 Ų134.977%0.76674%0.736SS**  cis-159.6167.347.845.7-24.3000123.3
454H29.5Very low30.5Very low148 Ų148133.5 Ų133.569%0.68573%0.733SS**  trans95.2151136.8-128.313.1000123.4
455F30.6Very low30.6Very low159 Ų159132.9 Ų132.970%0.69774%0.735SS**  trans60.5136.2179.2-54-76.1000117
456D32.7Very low30.3Very low144 Ų144129 Ų12977%0.7772%0.721SS**  cis-150.5169.91.6-128.4-29000114.9
457E31Very low30.5Very low169 Ų169131.1 Ų131.179%0.7972%0.722SS**  trans-77-174.1-177.8-107.4-154.514400114.9
458P35.3Very low30.4Very low84 Ų84131.2 Ų131.255%0.54572%0.715SS.*  cis-138.2-160.6-41.133.1-11000113.6
459L30Very low30.4Very low148 Ų148137 Ų13778%0.77572%0.72SS**  trans78.5149.7155.6-60.8164.4000120
460T29.8Very low30.2Very low103 Ų103138.6 Ų138.663%0.63273%0.725SS**  cis-170151.8-33.921.20000110.3
461N28.6Very low30Very low159 Ų159140.7 Ų140.785%0.8574%0.74SS**  trans65.9156.7151.9-58.5-14.4000120.3
462G30.9Very low29.7Very low63 Ų63138.9 Ų138.965%0.64974%0.744SS**  trans104.6108.8174.700000112.4
463Q29.1Very low29.6Very low186 Ų186136.4 Ų136.487%0.86974%0.736SS**  57.9104.276.7-68.1-176.8-103.500112.4
464V26.3Very low29.4Very low121 Ų121137.9 Ų137.973%0.73374%0.737SS**  103.1150.863.4152.80000110.4
465D30.6Very low29.4Very low160 Ų160136.8 Ų136.886%0.85674%0.741SS**  trans83.2141.4174.9-67.6-35.6000120.5
466S24.5Very low29.4Very low90 Ų90136.6 Ų136.663%0.62975%0.747SS**  trans-96.4169.8174.3-173.20000109.7
467P33.5Very low29.5Very low116 Ų116134 Ų13475%0.75374%0.74SS**  -147.8159103.836.9-21.7000116.6
468Y25.2Very low29.5Very low205 Ų205133.6 Ų133.680%0.80474%0.743SS**  trans-76.2138.7160.3-84.1-116000111.8
469Y31.1Very low29.2Very low208 Ų208132.9 Ų132.982%0.81675%0.751SS**  trans-147.8121.8148.3-97.7-87.8000106.8
470N25.3Very low29Very low129 Ų129131.1 Ų131.169%0.6976%0.758SS**  cis7013645.7-88.9-13.3000116.1
471N29.3Very low28.9Very low146 Ų146134.1 Ų134.178%0.78177%0.768SS**  trans77.5147.2167.6-58.2-19.1000116.4
472S28.2Very low28.6Very low100 Ų100136.1 Ų136.170%0.69977%0.769SS**  cis-167.4142.6-8163.20000113.1
473V26.9Very low28.2Very low109 Ų109138.4 Ų138.466%0.66177%0.771SS**  trans35121.6142.2-174.60000121.6V475V473-V475 HydrophobicContact CG1-CG2 4.29Å
474D29.4Very low27.9Very low149 Ų149139.4 Ų139.480%0.79777%0.768SS**  179.4112.3115.8-97.8-38.4000107.9
475V28.5Very low27.7Very low125 Ų125142.8 Ų142.876%0.75877%0.768SS**  63.498.375-175.70000114.1V473V473-V475 HydrophobicContact CG1-CG2 4.29Å
476D32Very low27.7Very low155 Ų155140.4 Ų140.483%0.82975%0.754SS**  trans-149.2174.1132.6-144.9-25.5000110.7
477S34.2Very low27.9Very low88 Ų88138.5 Ų138.562%0.61574%0.739SS**  trans-121.6157.7-146.959.20000116.7
478N30.7Very low28.2Very low161 Ų161144 Ų14486%0.86174%0.744SS**  trans83.3105.2174.5-51.7-65.9000117.7
479G29.3Very low28.4Very low70 Ų70136.3 Ų136.372%0.72272%0.721SS**  trans168.776.817100000113I481G479-I481 PolarHBondContact O-N 2.78Å; G479-I481 VanDerWaalsContact O-N 3.11Å
480A25Very low28.4Very low111 Ų111131.3 Ų131.392%0.91770%0.703SS**  trans-73103.5-17200000113.3
481I27.8Very low29Very low165 Ų165126.6 Ų126.685%0.84669%0.685SS**  trans-107.9141.3170.6-61.4-178.6000109.8G479G479-I481 PolarHBondContact O-N 2.78Å; G479-I481 VanDerWaalsContact O-N 3.11Å
482K22.9Very low29.7Very low201 Ų201122.2 Ų122.287%0.87466%0.661SS**  trans-86.1133-163.7-62.5169.9-174.8166.90112.5
483T21.7Very low30.4Very low112 Ų112118.6 Ų118.669%0.68764%0.636SS**  trans-71.5172.1156.8-29.70000110.6
484Y23.6Very low31.4Very low206 Ų206113.7 Ų113.781%0.80861%0.606SS**  trans102.9116.7159-54.9-66.5000119.1
485R23.1Very low32.2Very low192 Ų192109.5 Ų109.573%0.72559%0.586SS**  trans78.593.9137.6-177.9175.8-86.2142.3-4.5117.2T487R485-T487 VanDerWaalsContact CD-OG1 3.3Å; R485-T487 WeakPolarHBondContact CD-OG1 3.42Å; R485-T487 HydrophobicContact CG-CG2 3.99Å; R485-T487 VanDerWaalsContact CG-N 3.25Å; R485-T487 WeakPolarHBondContact CG-O 3.44Å; R485-T487 WeakPolarHBondContact CG-OG1 3.39Å; R485-T487 PolarHBondContact O-N 2.82Å
486I28.8Very low33Very low110 Ų110106.2 Ų106.256%0.56456%0.56SS**SBendtrans-69.776.2142.1-57.1178.1000108.1T7T7-I486 HydrophobicContact CG2-CD1 3.72Å
487T29.6Very low33.7Very low50 Ų50100 Ų10031%0.30753%0.527SS..THydrogen-bonded Turntrans-154.1132.9151.893.40000110.5R485 S489R485-T487 VanDerWaalsContact CD-OG1 3.3Å; R485-T487 WeakPolarHBondContact CD-OG1 3.42Å; R485-T487 HydrophobicContact CG-CG2 3.99Å; R485-T487 VanDerWaalsContact CG-N 3.25Å; R485-T487 WeakPolarHBondContact CG-O 3.44Å; R485-T487 WeakPolarHBondContact CG-OG1 3.39Å; R485-T487 PolarHBondContact O-N 2.82Å; T487-S489 WeakPolarHBondContact CB-O 3.21Å; T487-S489 PolarHBondContact OG1-O 3.48Å
488R39.4Very low33.9Very low231 Ų231101.1 Ų101.187%0.87252%0.522SS*.THydrogen-bonded Turn-161.3116.3123.6-105.3173.2-174.2-153.80.9107.6
489S29Very low34.1Very low44 Ų4499.8 Ų99.831%0.30851%0.511SS..THydrogen-bonded Turncis-72.1-55.97.482.30000113.4A69 D70 T487A69-S489 PolarHBondContact O-N 3.26Å; D70-S489 PolarHBondContact O-OG 3.28Å; T487-S489 WeakPolarHBondContact CB-O 3.21Å; T487-S489 PolarHBondContact OG1-O 3.48Å
490K31.2Very low34.2Very low104 Ų104102 Ų10245%0.45251%0.506SS..THydrogen-bonded Turntrans-158117.4-172.9-58.1171-176176.50107.2E72E72-K490 HydrophobicContact CG-CB 3.66Å; E72-K490 HydrophobicContact CG-CD 3.44Å; E72-K490 VanDerWaalsContact CG-CD 3.44Å; E72-K490 HydrophobicContact CG-CG 4.25Å; E72-K490 WeakPolarHBondContact OE1-CD 3.45Å; E72-K490 IonicContact OE1-NZ 2.57Å; E72-K490 PolarHBondContact OE1-NZ 2.98Å; E72-K490 WeakPolarHBondContact OE2-CD 3.29Å; E72-K490 IonicContact OE2-NZ 3.57Å; E72-K490 PolarHBondContact OE2-NZ 3.39Å
491G37.6Very low34.4Very low30 Ų30105.1 Ų105.131%0.30949%0.493SS..  91.474.366.900000110S493G491-S493 PolarHBondContact O-N 2.9Å
492I46Very low34.5Very low53 Ų53101.5 Ų101.527%0.27248%0.479SS..PPolyproline II helixtrans-58.9127.6-178.2-61.2177.2000109.4N73 V75N73-I492 WeakPolarHBondContact O-CA 3.48Å; V75-I492 HydrophobicContact CB-CG2 4.43Å; V75-I492 HydrophobicContact CG2-CG2 3.92Å
493S42.5Very low34.9Very low25 Ų25102.9 Ų102.918%0.17548%0.479CS..EExtended strand (participates in β ladder)trans-102141.3172.2-64.50000109.7P3 S74 V75 G491P3-S493 VanDerWaalsContact CB-OG 3.31Å; P3-S493 WeakPolarHBondContact CB-OG 3.44Å; S74-S493 VanDerWaalsContact CA-O 3.3Å; S74-S493 WeakPolarHBondContact CA-O 3.48Å; S74-S493 VanDerWaalsContact CB-O 3.24Å; S74-S493 WeakPolarHBondContact CB-O 3.5Å; S74-S493 PolarHBondContact OG-O 3.24Å; V75-S493 PolarHBondContact N-O 3.42Å; V75-S493 VanDerWaalsContact N-O 3.08Å; G491-S493 PolarHBondContact O-N 2.9Å
494L47.6Very low35.2Very low5 Ų5103.4 Ų103.43%0.02647%0.474CS..EExtended strand (participates in β ladder)trans-80.9136.2157.9-65.4178.8000109I4 F6 I21 L25 V75I4-L494 HydrophobicContact CB-CB 4.5Å; I4-L494 HydrophobicContact CG2-CB 4.47Å; I4-L494 HydrophobicContact CG2-CD1 4.34Å; I4-L494 PolarHBondContact N-O 3.03Å; I4-L494 WeakPolarHBondContact O-CA 3.41Å; I4-L494 WeakPolarHBondContact O-CB 3.47Å; I4-L494 PolarHBondContact O-N 2.86Å; F6-L494 HydrophobicContact CB-CD1 3.33Å; F6-L494 HydrophobicContact CB-CG 3.78Å; F6-L494 HydrophobicContact CG-CD1 4.03Å; I21-L494 HydrophobicContact CB-CD1 4.41Å; I21-L494 HydrophobicContact CG1-CD1 4.24Å; I21-L494 HydrophobicContact CG2-CD1 3.89Å; I21-L494 HydrophobicContact CG2-CD2 4.18Å; L25-L494 HydrophobicContact CD1-CB 4.38Å; L25-L494 HydrophobicContact CD1-CD1 4.25Å; L25-L494 HydrophobicContact CD2-CB 4.1Å; L25-L494 HydrophobicContact CD2-CD1 4.38Å; L25-L494 HydrophobicContact CG-CD1 4.26Å; V75-L494 HydrophobicContact CB-CD2 4.35Å
495V46.8Very low35.3Very low62 Ų62100.3 Ų100.338%0.37648%0.477SS..EExtended strand (participates in β ladder)trans-128.3121.6167-1780000106.6V75 V76 L77V75-V495 PolarHBondContact O-N 2.98Å; V76-V495 WeakPolarHBondContact CA-O 3.4Å; L77-V495 PolarHBondContact N-O 3.08Å
496Y43.4Very low35.4Very low56 Ų5694.9 Ų94.922%0.2248%0.48CS..EExtended strand (participates in β ladder)trans-74.4127.7161.2178.4-103.7000107.5P27 P28 L77 E498P27-Y496 HydrophobicContact CB-CD2 3.77Å; P27-Y496 HydrophobicContact CB-CE2 3.41Å; P27-Y496 VanDerWaalsContact CB-CE2 3.41Å; P28-Y496 WeakPolarHBondContact CD-OH 3.24Å; L77-Y496 HydrophobicContact CB-CD2 4.18Å; L77-Y496 HydrophobicContact CD2-CD2 4.01Å; L77-Y496 HydrophobicContact CD2-CE2 4.33Å; Y496-E498 PolarHBondContact O-N 3.04Å
497D46.8Very low35.4Very low23 Ų2394.3 Ų94.312%0.12349%0.492CS..  trans-82.5114176.4-166.9-3.9000110.8V76 R78 E499V76-D497 HydrophobicContact CG1-CB 3.71Å; R78-D497 IonicContact CZ-OD2 2.94Å; R78-D497 IonicContact NH1-OD2 3.17Å; R78-D497 PolarHBondContact NH1-OD2 2.94Å; R78-D497 IonicContact NH2-OD2 2.6Å; R78-D497 PolarHBondContact NH2-OD2 2.97Å; D497-E499 VanDerWaalsContact OD1-CB 3.29Å; D497-E499 WeakPolarHBondContact OD1-CB 3.49Å; D497-E499 WeakPolarHBondContact OD1-CG 3.37Å; D497-E499 PolarHBondContact OD1-N 3.24Å
498E38.6Very low35.2Very low113 Ų11397.5 Ų97.553%0.52852%0.515SS..  trans-90.6-4.6-178.8-155163.5-14300112.1Y496 L500 R501Y496-E498 PolarHBondContact O-N 3.04Å; E498-L500 PolarHBondContact O-N 3.45Å; E498-L500 VanDerWaalsContact O-N 3.09Å; E498-R501 PolarHBondContact O-N 3.37Å
499E35.4Very low34.5Very low133 Ų13393.6 Ų93.662%0.62151%0.511SS*.THydrogen-bonded Turntrans-67.6-9.2-173.4-69.2-162.3150.300115.4D497D497-E499 VanDerWaalsContact OD1-CB 3.29Å; D497-E499 WeakPolarHBondContact OD1-CB 3.49Å; D497-E499 WeakPolarHBondContact OD1-CG 3.37Å; D497-E499 PolarHBondContact OD1-N 3.24Å
500L32.4Very low34.4Very low116 Ų11697.6 Ų97.661%0.60753%0.534SS*.THydrogen-bonded Turntrans-82.8-8.9166.9-88170000114.1E498E498-L500 PolarHBondContact O-N 3.45Å; E498-L500 VanDerWaalsContact O-N 3.09Å
501R29Very low34.1Very low176 Ų17697.5 Ų97.566%0.66455%0.547SS*.SBendtrans-113.62.6-179.3-139177.6-166.6173.35.2114.9E498E498-R501 PolarHBondContact O-N 3.37Å
502T28.7Very low33.7Very low89 Ų89103.3 Ų103.355%0.54657%0.569SS.*SBendtrans-113.72.6-178.753.50000114.2
503R31Very low32.7Very low230 Ų230105.8 Ų105.887%0.86859%0.591SS**SBendtrans-107.8-8.7172.1-94.9179.3162.7145.2-5.6115.2
504E29.4Very low32.1Very low124 Ų124109.1 Ų109.158%0.57961%0.614SS**SBendtrans-119.6127.5164-65.1-175.5157.200107.2K91K91-E504 IonicContact NZ-OE1 3.53Å; K91-E504 PolarHBondContact NZ-OE1 3.04Å; K91-E504 IonicContact NZ-OE2 2.69Å; K91-E504 PolarHBondContact NZ-OE2 2.67Å
505T25.6Very low31.3Very low141 Ų141114.6 Ų114.687%0.86565%0.648SS**  trans63.576.5-169.962.80000116.8
506G25Very low30.5Very low78 Ų78118.9 Ų118.980%0.80467%0.667SS**  trans-119.964.6168.900000112.4
507A27.9Very low29.9Very low98 Ų98120.9 Ų120.981%0.8169%0.687SS**  trans-83.3170.717700000112.3
508C25.1Very low29.1Very low117 Ų117129 Ų12979%0.79172%0.718SS**  trans-42.5138-178-55.40000115.1
509D24.7Very low28.8Very low148 Ų148131.2 Ų131.279%0.79173%0.728SS**  -165.5148.899.8-110.2-13.2000114.9
510T27.5Very low28.5Very low129 Ų129131.4 Ų131.479%0.79173%0.733SS**  trans-155.692.5159.1-62.60000109.8
511S25Very low28.4Very low102 Ų102131.5 Ų131.571%0.71373%0.734SS**  trans66.5142.4172.7750000115.2
512I28.9Very low28.5Very low152 Ų152129.1 Ų129.178%0.77974%0.735SS**  cis-150.5133.239.4-72.8173.9000112.1
513S25.5Very low28.7Very low105 Ų105131.1 Ų131.173%0.73475%0.747SS**  trans71.9147.3149.4-165.70000122.9
514S29.1Very low28.5Very low95 Ų95125.8 Ų125.866%0.66474%0.743SS**  trans90.391.7147.150000121.7
515T30.9Very low28.7Very low119 Ų119129 Ų12973%0.7376%0.759SS**  91.287.4115.3-50.50000121
516I30.2Very low28.8Very low152 Ų152129.3 Ų129.378%0.77976%0.755SS**  76.3147.9127-68.9176.4000119
517P32.3Very low29.3Very low99 Ų99130.6 Ų130.664%0.64375%0.749SS**  trans-121.5-139.7-157.744.2-27.2000113.7
518Y29.6Very low29.3Very low193 Ų193134.8 Ų134.876%0.75775%0.749SS**  trans78.1143.7-171.8-53.3-83.7000113
519E31.3Very low29.5Very low159 Ų159137.8 Ų137.874%0.74375%0.749SS**  cis-153144.54.7-137.6154.5-13900112.6
520N30Very low29.5Very low137 Ų137137.5 Ų137.573%0.73374%0.742SS**  trans28.7152.6145.1-83.146.9000127.1
521D30.7Very low29.6Very low118 Ų118136.5 Ų136.563%0.63174%0.736SS**  trans88.6107.4134.9-7720.8000124
522N30.7Very low29.9Very low127 Ų127137.8 Ų137.868%0.67974%0.735SS**  90144.2121.6-67.5-32000123.5
523T32.9Very low29.9Very low131 Ų131136.8 Ų136.880%0.80473%0.73SS**  trans59.6117.916245.20000117.6
524C25.9Very low30.1Very low117 Ų117137 Ų13779%0.79173%0.728SS**  cis73.7104.848.8-167.50000113.7
525E32.9Very low30.3Very low192 Ų192140 Ų14090%0.89773%0.731SS**  -174.1145.7125.5-104.8-179.8-178.400112.4
526D27.9Very low30.3Very low147 Ų147140.3 Ų140.379%0.78673%0.727SS**  trans-68.3163.8158.8-101.9-61.1000109.8
527P36.2Very low30.4Very low105 Ų105139.3 Ų139.368%0.68272%0.724SS**  cis-158.6173.547.144.1-22.5000119.8
528K27.4Very low30.5Very low186 Ų186139.9 Ų139.981%0.80973%0.725SS**  trans31.2155133.4-57.8170.9-177.9173.50122.3
529K30.3Very low30.8Very low181 Ų181135.9 Ų135.979%0.78772%0.721SS**  trans85.2147.5166-65.5-169.8162.4-77.50114.5
530E24.7Very low30.9Very low141 Ų141135 Ų13566%0.65972%0.721SS**  cis164.9160.2-19.5-123.6177.2118.700104.2
531V29.8Very low31.2Very low108 Ų108133.3 Ų133.366%0.65572%0.716SS**  trans73.1104.6146.1167.20000119.2
532D30.2Very low31.3Very low130 Ų130134.9 Ų134.970%0.69572%0.724SS**  108.2129.1122.5-83.55.2000126.4
533L28.6Very low31.5Very low130 Ų130133.4 Ų133.468%0.68172%0.724SS**  76.1107.4129.5-67.4170.8000124.2
534T29.5Very low31.6Very low110 Ų110132.6 Ų132.668%0.67572%0.719SS**  57.9126.7125.860.10000123.4
535H33.7Very low31.9Very low158 Ų158133.1 Ų133.173%0.73171%0.714SS**  -173.3129.3111.3-108.6-118.3000107.9
536L31Very low31.7Very low125 Ų125130 Ų13065%0.65470%0.703SS**  60.9131.791.7-72.3158.1000113.3V538L536-V538 HydrophobicContact CD2-CG2 4.4Å
537D33.5Very low31.8Very low132 Ų132131.4 Ų131.471%0.70670%0.702SS**  cis-144.5141.531.8-89.9-51.9000112.4
538V33.8Very low31.4Very low111 Ų111131.5 Ų131.567%0.67370%0.701SS**  67.312889.5-179.20000113.4L536L536-V538 HydrophobicContact CD2-CG2 4.4Å
539T34.8Very low31.3Very low109 Ų109129.9 Ų129.967%0.66970%0.7SS**  cis-160.1158.741.4-12.30000113.4
540D35.1Very low31.2Very low140 Ų140129.1 Ų129.175%0.74970%0.7SS**  trans53.4144.3143.1-67.5-2.8000123.7
541T35.3Very low31.4Very low102 Ų102132.2 Ų132.263%0.62671%0.707SS**  cis-161.2144.7-1.724.40000112.4
542N34.1Very low31.1Very low150 Ų150134.3 Ų134.380%0.80271%0.711SS**  trans53.2137.1140.5-62.6-15.2000121.4
543S34Very low31Very low96 Ų96135.9 Ų135.967%0.67171%0.714SS**  cis-153.2142.516.1-70.40000114
544T34.4Very low31Very low115 Ų115133.1 Ų133.171%0.70671%0.705SS**  trans49.1138.914063.30000122.4
545N32.5Very low30.9Very low127 Ų127130.9 Ų130.968%0.67969%0.692SS**  cis-168.1142.8-4.9-108.6-7.2000111.5
546L29.8Very low30.6Very low128 Ų128129 Ų12967%0.6768%0.682SS**  trans47.1138.5135.1-58.8169.4000120.7
547F30.3Very low30.6Very low176 Ų176125.9 Ų125.977%0.77267%0.666SS**  cis-134.1142.57-93.2-99.1000107.2
548T27.4Very low30.4Very low106 Ų106125.4 Ų125.465%0.6566%0.662SS**  47.6140.967.8490000114.9
549L25.3Very low30.2Very low153 Ų153125.3 Ų125.380%0.80166%0.656SS**  cis-162.7-159-15.3-124.3169.7000105.6
550E27.9Very low29.9Very low164 Ų164127.7 Ų127.777%0.76666%0.66SS**  trans76.9144.9161.4-47.1-157.9141.400117.7
551Y28.2Very low29.7Very low206 Ų206128.4 Ų128.481%0.80866%0.659SS**  cis-152.6165.5-12.3-136.8-117.2000110.2
552M23.9Very low29.4Very low152 Ų152130.5 Ų130.575%0.74967%0.666SS**  trans-113.6173.9162.6-68.9-147.1-49.800110.7
553H28.8Very low29.3Very low164 Ų164130.5 Ų130.576%0.75966%0.661SS**  trans76.6105.9171.2-82.4-102.6000119.5
554S27.2Very low29.1Very low71 Ų71131.7 Ų131.750%0.49766%0.66SS.*  74.9145.8110.2-149.30000122.9H450H450-S554 PolarHBondContact CD2-OG 3.45Å; H450-S554 VanDerWaalsContact CD2-OG 3.25Å; H450-S554 PolarHBondContact NE2-OG 3.02Å
555T27.8Very low28.9Very low64 Ų64134.1 Ų134.139%0.39367%0.668SS.*  trans94.1102.9148.9-28.50000120.7H450 K451H450-T555 HydrophobicContact CB-CG2 3.71Å; H450-T555 PolarHBondContact CD2-OG1 3.32Å; H450-T555 PolarHBondContact NE2-OG1 3.39Å; K451-T555 HydrophobicContact CD-CG2 4.02Å; K451-T555 HydrophobicContact CG-CG2 4.41Å
556F28.4Very low29Very low118 Ų118134 Ų13452%0.51867%0.672SS.*  14.4115.7126.7-92.8-106.7000120K451 T601K451-F556 PolarHBondContact NZ-O 2.62Å; F556-T601 HydrophobicContact CD1-CG2 3.74Å; F556-T601 HydrophobicContact CE1-CG2 3.59Å; F556-T601 HydrophobicContact CZ-CG2 4.4Å
557D29.8Very low29.2Very low59 Ų59133.2 Ų133.232%0.31667%0.674SS.*  105.3155.5111.4-135.1-11.9000123T601D557-T601 HydrophobicContact CB-CG2 4.39Å; D557-T601 VanDerWaalsContact CG-CB 3.41Å; D557-T601 VanDerWaalsContact CG-CG2 3.45Å; D557-T601 WeakPolarHBondContact OD1-CB 3.21Å; D557-T601 WeakPolarHBondContact OD1-CG2 3.38Å; D557-T601 PolarHBondContact OD1-OG1 2.87Å; D557-T601 VanDerWaalsContact OD2-CB 3.24Å; D557-T601 WeakPolarHBondContact OD2-CB 3.41Å; D557-T601 VanDerWaalsContact OD2-CG2 3.22Å; D557-T601 WeakPolarHBondContact OD2-CG2 3.44Å
558I29.7Very low29.2Very low123 Ų123129.8 Ų129.863%0.63167%0.668SS**  trans93.584.2162.9-39.9-157.6000119.3L602I558-L602 HydrophobicContact CD1-CD1 4.44Å; I558-L602 HydrophobicContact CG1-CD1 4.2Å
559I29.3Very low29.3Very low108 Ų108132.6 Ų132.655%0.55467%0.674SS**  52.8136.2115.7-69.6179.4000122.4L602I559-L602 HydrophobicContact CD1-CD1 3.51Å; I559-L602 HydrophobicContact CG1-CD1 4.33Å
560E28.6Very low29.6Very low159 Ų159132.2 Ų132.274%0.74367%0.672SS**  trans57.3138.7159.9-83.2175.6-139.600119.6
561Q30.8Very low29.6Very low156 Ų156131 Ų13173%0.72967%0.671SS**  cis-155.3129.823-102.6145.839.600106.2
562D29.4Very low29.7Very low145 Ų145126.9 Ų126.978%0.77567%0.672SS**  103.1164.768.2-160.812.3000111.1
563E31.5Very low29.9Very low150 Ų150125.9 Ų125.970%0.70168%0.678SS**  trans72.394.3171.8-61.8-122.797.900120
564N30.9Very low29.8Very low121 Ų121122.6 Ų122.665%0.64767%0.674SS**  62.7102.7111.5-66.3-37.9000120.8
565L30Very low30Very low167 Ų167126 Ų12687%0.87469%0.686SS**  170.416297.6-93.9148.4000114.7
566T33.4Very low30.1Very low124 Ų124131.8 Ų131.876%0.76171%0.709SS**  trans-126.3-165.7-176.454.20000110.6
567P35.6Very low30Very low111 Ų111134.6 Ų134.672%0.72172%0.724SS**  -112.9-148.1-7839.1-24.4000110
568T30.3Very low29.9Very low105 Ų105142.6 Ų142.664%0.64475%0.751SS**  trans140.8129.6133.5-57.90000114.3
569E29Very low29.9Very low165 Ų165142.4 Ų142.477%0.77176%0.761SS**  trans66.4156.4159.8-79.6166.1-151.500119.6
570L31.2Very low29.7Very low144 Ų144144 Ų14475%0.75477%0.77SS**  cis-146.7164.915.2-132.6153.6000113
571N27.5Very low29.5Very low140 Ų140145.8 Ų145.875%0.74978%0.775SS**  trans-76.8157-175-59.9-73.6000115.5
572S29.7Very low29.4Very low118 Ų118145.4 Ų145.483%0.82578%0.778SS**  156.6129.9100550000116
573C29.1Very low29.3Very low131 Ų131145.3 Ų145.389%0.88578%0.782SS**  -177149.2117.6-161.20000109.1
574S27.2Very low28.9Very low96 Ų96143.5 Ų143.567%0.67178%0.781SS**  trans-132.5-178.1-162.3-56.40000114.2
575D30.7Very low28.6Very low141 Ų141144.4 Ų144.475%0.75478%0.781SS**  trans81.4109157-52.7-23000118.9
576H30.9Very low28.4Very low187 Ų187145.6 Ų145.687%0.86678%0.78SS**  -156.7138.695-99.163.5000110.2
577Q24.8Very low27.9Very low177 Ų177144.1 Ų144.183%0.82777%0.771SS**  trans-143.6116.1-170.2-173.5-174.458.200113.3
578Y29.5Very low27.5Very low226 Ų226147.5 Ų147.589%0.88677%0.774SS**  trans-156.2142.2162.5-72-72.7000107.9
579S28.9Very low27.1Very low120 Ų120148.6 Ų148.684%0.83978%0.776SS**  cis-148.9137.1-13.8-1780000107.4
580L24.8Very low27Very low142 Ų142148.9 Ų148.974%0.74378%0.778SS**  trans-119.4116-164.9-152.7175.2000110.9
581K25.2Very low26.6Very low196 Ų196149.4 Ų149.485%0.85278%0.776SS**  trans-179.185.4155.8-103.3155.4-173.4173.80112
582D27.2Very low26.7Very low148 Ų148148.9 Ų148.979%0.79177%0.772SS**SBendtrans-154.1145.4146.8-113.1-36.3000109.9
583V27.3Very low26.6Very low143 Ų143148.1 Ų148.187%0.86776%0.763SS**  trans48.2106.6179-168.50000116.8
584V24.2Very low26.6Very low111 Ų111148.7 Ų148.767%0.67376%0.756SS**  trans-135147.2179.71690000109.5
585H24.2Very low26.5Very low141 Ų141151.5 Ų151.565%0.65376%0.758SS**  trans62.1118.6172.1-98.1-103.7000118.1T587H585-T587 PolarHBondContact CE1-OG1 2.79Å; H585-T587 PolarHBondContact ND1-OG1 3.03Å
586F25.2Very low26.4Very low192 Ų192149.4 Ų149.484%0.84276%0.755SS**  -145.566.6127.4-121.5-76.6000111F588F586-F588 AromaticContact CD1-CD2 3.96Å; F586-F588 HydrophobicContact CD1-CD2 3.96Å; F586-F588 AromaticContact CE1-CD2 3.71Å; F586-F588 HydrophobicContact CE1-CD2 3.71Å; F586-F588 AromaticContact CE1-CE2 3.82Å; F586-F588 HydrophobicContact CE1-CE2 3.82Å
587T24.3Very low26.3Very low93 Ų93145.7 Ų145.757%0.57174%0.741SS**  trans-69.6132156.553.30000108.8H585H585-T587 PolarHBondContact CE1-OG1 2.79Å; H585-T587 PolarHBondContact ND1-OG1 3.03Å
588F26.2Very low26.5Very low182 Ų182147 Ų14780%0.79874%0.739SS**  trans-130.2120.1157.8-117.7-99000108.5F586F586-F588 AromaticContact CD1-CD2 3.96Å; F586-F588 HydrophobicContact CD1-CD2 3.96Å; F586-F588 AromaticContact CE1-CD2 3.71Å; F586-F588 HydrophobicContact CE1-CD2 3.71Å; F586-F588 AromaticContact CE1-CE2 3.82Å; F586-F588 HydrophobicContact CE1-CE2 3.82Å
589N22.8Very low26.4Very low127 Ų127145.5 Ų145.568%0.67974%0.737SS**  trans-64.1161.8155.9-49.6-17.3000106.3
590E25.5Very low26.3Very low172 Ų172144.8 Ų144.880%0.80473%0.732SS**  cis-158163.140.3-68.8167.5149.100105.5
591E24.5Very low26.5Very low155 Ų155140.7 Ų140.772%0.72471%0.713SS**  cis-165.2167.511.2-133.9177.6166.800108.8
592I28.6Very low26.6Very low128 Ų128135.6 Ų135.666%0.65670%0.695SS**  trans6393.1154-65.3160.7000116.2
593T26.7Very low26.8Very low103 Ų103134.9 Ų134.963%0.63269%0.691SS**  61.5138.577.670.70000115
594L29.7Very low27Very low142 Ų142133.4 Ų133.474%0.74368%0.682SS**  cis-124.7165.313.8-83.994.4000110.6
595E26.1Very low27.1Very low155 Ų155136.1 Ų136.172%0.72469%0.687SS**  57144.555.5-94.599.5-167.600112.4
596S28.2Very low27.3Very low98 Ų98136.1 Ų136.169%0.68569%0.693SS**  cis-143155.54.3-77.30000107.5
597D27.7Very low27.5Very low108 Ų108130.5 Ų130.558%0.57869%0.688SS**  cis73.3124.147-1561.8000114.2
598R30.3Very low27.8Very low204 Ų204134.6 Ų134.677%0.7770%0.703SS**  trans70.8126.2171.2-64.8136.3-146.8-155.816.3122.8
599K26.2Very low27.8Very low195 Ų195132 Ų13285%0.84870%0.698SS**  11.8157.9122.2-70.6-177.2173.3-177.60120.6
600S28.2Very low28.1Very low106 Ų106133.9 Ų133.974%0.74170%0.702SS**  trans67.9142.7165.748.30000117.2
601T27.2Very low28.3Very low56 Ų56130.9 Ų130.934%0.34470%0.7SS.*  cis-179166-39.119.80000106.9F556 D557F556-T601 HydrophobicContact CD1-CG2 3.74Å; F556-T601 HydrophobicContact CE1-CG2 3.59Å; F556-T601 HydrophobicContact CZ-CG2 4.4Å; D557-T601 HydrophobicContact CB-CG2 4.39Å; D557-T601 VanDerWaalsContact CG-CB 3.41Å; D557-T601 VanDerWaalsContact CG-CG2 3.45Å; D557-T601 WeakPolarHBondContact OD1-CB 3.21Å; D557-T601 WeakPolarHBondContact OD1-CG2 3.38Å; D557-T601 PolarHBondContact OD1-OG1 2.87Å; D557-T601 VanDerWaalsContact OD2-CB 3.24Å; D557-T601 WeakPolarHBondContact OD2-CB 3.41Å; D557-T601 VanDerWaalsContact OD2-CG2 3.22Å; D557-T601 WeakPolarHBondContact OD2-CG2 3.44Å
602L27.6Very low28.2Very low89 Ų89130.1 Ų130.147%0.46671%0.706SS.*  trans63.7147.1-178.2-63.7148.2000113I558 I559I558-L602 HydrophobicContact CD1-CD1 4.44Å; I558-L602 HydrophobicContact CG1-CD1 4.2Å; I559-L602 HydrophobicContact CD1-CD1 3.51Å; I559-L602 HydrophobicContact CG1-CD1 4.33Å
603D31.9Very low28.2Very low133 Ų133126.9 Ų126.971%0.71170%0.704SS**  cis-146.915829.7-109.7-45.4000113
604T31.3Very low28.2Very low112 Ų112128 Ų12869%0.68771%0.707SS**  trans42.497.3144.1-52.80000117.2
605E25.7Very low28Very low167 Ų167128.5 Ų128.578%0.7871%0.705SS**  60.8145.861.3-151.8-173.2-130.700115
606N29.4Very low28.1Very low142 Ų142127 Ų12776%0.75970%0.701SS**  trans71.3125-171.7-49.1-86.2000111.9
607G29Very low28.1Very low73 Ų73127.5 Ų127.575%0.75370%0.695SS**  cis116.811537.300000105.9
608M31.1Very low28.1Very low179 Ų179128 Ų12888%0.88269%0.694SS**  -155.1135.672.8-82.5-175-175.600110.1
609N26.8Very low28.1Very low129 Ų129123 Ų12369%0.6968%0.683SS**  69.2118.582.5-103-43.8000115.5
610Q28.3Very low28.1Very low165 Ų165117.1 Ų117.177%0.77167%0.666SS**  trans84.3157.4140.8-64.7162.134.600121.3
611S28.8Very low28.1Very low109 Ų109117.9 Ų117.976%0.76266%0.658SS**  trans59.9109.9-173.4-106.40000115.4
612V24.4Very low28.3Very low140 Ų140119.5 Ų119.585%0.84866%0.664SS**  cis59.5121.223-163.60000113
613G27.7Very low28.2Very low60 Ų60118.6 Ų118.662%0.61966%0.662SS**  trans85.5130.3-166.200000111
614N26.9Very low27.9Very low127 Ų127116.1 Ų116.168%0.67966%0.655SS**  cis-136.9157.914.4-88.720.9000110.7
615E25.9Very low27.6Very low151 Ų151114.8 Ų114.871%0.70665%0.647SS**  39.6130.194.8-27.6172132.300113
616I27.8Very low27.6Very low124 Ų124113.3 Ų113.364%0.63664%0.644SS**  cis-154.1173.549-119.9125.8000111.8
617L28Very low27.5Very low108 Ų108109.5 Ų109.557%0.56564%0.639SS**  trans-39162168.4-52.877.2000114
618Q28.4Very low27.3Very low118 Ų118114 Ų11455%0.55164%0.64SS**  cis-165.1159.230.2-148.1145-1.100115.1E989Q618-E989 PolarHBondContact O-N 2.77Å; Q618-E989 VanDerWaalsContact O-N 3.12Å
619N30.3Very low27Very low101 Ų101110.1 Ų110.154%0.5463%0.626SS.*  trans68.9123.3162.6-69.3-24.5000116.1Q988N619-Q988 WeakPolarHBondContact O-CA 3.32Å; N619-Q988 WeakPolarHBondContact O-CG 3.49Å
620S26.6Very low27Very low70 Ų70109.7 Ų109.749%0.4962%0.62SS.*  69.1148.574.3-54.80000111.4K987S620-K987 CarbonylContact O-C 3.53Å
621Q27.1Very low26.8Very low123 Ų123105.1 Ų105.158%0.57560%0.599SS**  cis-150.3154.211.5-143.9178.9-76.200108.4K986Q621-K986 VanDerWaalsContact O-CA 3.23Å; Q621-K986 WeakPolarHBondContact O-CA 3.47Å; Q621-K986 WeakPolarHBondContact O-CB 3.34Å; Q621-K986 WeakPolarHBondContact O-CG 3.44Å
622D30.5Very low26.7Very low89 Ų89102.5 Ų102.548%0.47658%0.578SS.*  trans61.9174.2160.5-45.2-41.4000117K986D622-K986 WeakPolarHBondContact O-CD 3.48Å; D622-K986 WeakPolarHBondContact O-CE 3.33Å; D622-K986 PolarHBondContact O-NZ 3.33Å
623V26.9Very low26.8Very low70 Ų70100.8 Ų100.842%0.42456%0.564SS.*  cis-118.5136.3-12.7-174.70000108.6K984V623-K984 HydrophobicContact CB-CB 3.91Å; V623-K984 HydrophobicContact CB-CD 4.18Å; V623-K984 HydrophobicContact CB-CG 3.97Å; V623-K984 HydrophobicContact CG1-CB 4.34Å; V623-K984 HydrophobicContact CG1-CD 4.1Å; V623-K984 HydrophobicContact CG1-CG 3.88Å; V623-K984 HydrophobicContact CG2-CB 3.89Å; V623-K984 HydrophobicContact CG2-CG 4.32Å
624S25.1Very low26.8Very low81 Ų81103 Ų10357%0.56656%0.562SS**  trans-0.9137.7140.6-76.80000118.2K984S624-K984 VanDerWaalsContact O-CD 3.3Å; S624-K984 WeakPolarHBondContact O-CD 3.49Å; S624-K984 WeakPolarHBondContact O-CE 3.29Å; S624-K984 PolarHBondContact O-NZ 3.2Å
625V25.9Very low26.8Very low85 Ų85104.4 Ų104.452%0.51556%0.562SS.*  62.3140.680.2169.70000114.6K984V625-K984 PolarHBondContact O-NZ 3.46Å
626N25.3Very low26.8Very low135 Ų135103.8 Ų103.872%0.72256%0.559SS**  trans63.5145.1-178.4-56.8-21.9000115.6K984N626-K984 PolarHBondContact O-NZ 3.04Å
627G26.6Very low26.7Very low63 Ų63106.3 Ų106.365%0.64957%0.566SS**  cis104.2140.6-0.700000113.7
628H25.1Very low26.6Very low167 Ų167107.3 Ų107.377%0.77357%0.57SS**  trans67.2134.7-166.6-79.346.7000112.5
629V24.5Very low26.5Very low98 Ų98105.9 Ų105.959%0.59457%0.573SS**  66.5136.360173.50000111
630E26.6Very low26.3Very low120 Ų120109.2 Ų109.256%0.56159%0.586SS**  trans70.1161.1170-78.7171.6-148.500116.5R979E630-R979 CarbonylContact C-O 3.32Å; E630-R979 VanDerWaalsContact CA-O 3.27Å; E630-R979 WeakPolarHBondContact CA-O 3.17Å
631E24.5Very low26.3Very low68 Ų68112.2 Ų112.232%0.31859%0.59SS.*  cis-164.5136.1-28.6-175.464.5-139.800110.4N978 R979E631-N978 VanDerWaalsContact OE1-C 3.27Å; E631-N978 WeakPolarHBondContact OE1-CA 3.41Å; E631-N978 WeakPolarHBondContact OE2-CA 3.2Å; E631-N978 PolarHBondContact OE2-ND2 3.1Å; E631-R979 WeakPolarHBondContact CA-O 3.35Å; E631-R979 PolarHBondContact OE1-N 2.72Å; E631-R979 VanDerWaalsContact OE1-N 3.09Å; E631-R979 PolarHBondContact OE2-N 3.1Å
632V26.1Very low26.4Very low54 Ų54112.3 Ų112.333%0.32760%0.599SS.*  trans69.1145.7150.7155.40000121R979V632-R979 HydrophobicContact CG2-CB 4.32Å; V632-R979 VanDerWaalsContact N-CB 3.26Å
633N26.9Very low26.4Very low105 Ų105115 Ų11556%0.56161%0.609SS**  trans73.5117.2163-74-22.8000115.9
634N26.8Very low26.6Very low107 Ų107116.5 Ų116.557%0.57262%0.622SS**  68150.959.9-60.45.4000111.7R979N634-R979 PolarHBondContact OD1-NH2 3.12Å
635K27.5Very low27.1Very low155 Ų155119.9 Ų119.967%0.67463%0.631SS**  trans75.3142.2170.1-52.8-179.4150.3-72.30113.8
636E26.2Very low27.6Very low138 Ų138121.8 Ų121.865%0.64564%0.638SS**  cis-150.7129.2-20.5-121135.6-158.400104.8
637F24.8Very low28Very low178 Ų178121.8 Ų121.878%0.78164%0.638SS**  77.6130.985.9-166-120.6000113
638I26.7Very low28.5Very low128 Ų128124.1 Ų124.166%0.65664%0.64SS**  trans76.6112.1159.3-82.7-176.8000118.7
639S25.6Very low28.9Very low89 Ų89125.3 Ų125.362%0.62264%0.643SS**  67.2158.4120.9-131.20000118.6
640E27.6Very low29.2Very low171 Ų171123.6 Ų123.680%0.79965%0.645SS**  cis-130.1150.516.6-73-177.3124.400111.4
641K26.7Very low29.5Very low132 Ų132127.6 Ų127.657%0.57466%0.661SS**  cis9110330.1-178.9-169.8170.7-73.40114.7E643K641-E643 WeakPolarHBondContact CE-OE1 3.16Å; K641-E643 IonicContact NZ-OE1 3.82Å; K641-E643 PolarHBondContact NZ-OE1 2.99Å
642T29Very low29.8Very low126 Ų126128.3 Ų128.377%0.77367%0.673SS**  trans-163.8122.6145.838.40000107
643E29.9Very low29.8Very low146 Ų146132.8 Ų132.868%0.68269%0.694SS**  73142.763.8-67174.9-166.700112.8K641K641-E643 WeakPolarHBondContact CE-OE1 3.16Å; K641-E643 IonicContact NZ-OE1 3.82Å; K641-E643 PolarHBondContact NZ-OE1 2.99Å
644S32Very low30.1Very low101 Ų101133.5 Ų133.571%0.70670%0.702SS**  cis-139.9-173.712.257.40000109.8
645M35.7Very low30.3Very low152 Ų152134.2 Ų134.275%0.74971%0.71SS**  cis-157.9173.531.3-118.5144.668.500107.4
646D35.4Very low30.8Very low124 Ų124131.6 Ų131.666%0.66371%0.709SS**  cis-157.2-18024.6-137.2-34.1000114
647D34.7Very low31.2Very low135 Ų135131.7 Ų131.772%0.72271%0.714SS**  trans78102.9160-91.1-34.1000122.7
648V36.7Very low31.5Very low113 Ų113128.1 Ų128.169%0.68571%0.711SS**  68.6124.9121.71670000119.4
649K32.3Very low32.2Very low191 Ų191127.1 Ų127.183%0.8371%0.713SS**  cis-160.1137.63.3-127.2174.2-165.71580112.9
650G31.9Very low32.5Very low63 Ų63129.3 Ų129.365%0.64972%0.722SS**  90.5113.4118.900000121.8
651K32.5Very low32.8Very low203 Ų203125.6 Ų125.688%0.88372%0.72SS**  trans72.4145.3151.7-95.993.3177.5-178.40117.5
652S29.9Very low33.2Very low84 Ų84123 Ų12359%0.58773%0.731SS**  cis-160.2141.3-0.6-138.30000114.7
653I27.5Very low33.5Very low148 Ų148121.6 Ų121.676%0.75973%0.726SS**  trans69.9115.4133.4-77.3174.5000120.8
654V32.5Very low33.7Very low120 Ų120122.8 Ų122.873%0.72774%0.736SS**  trans83.4124.1141.51680000119.2
655V31.4Very low33.7Very low122 Ų122126.3 Ų126.374%0.73974%0.739SS**  cis91.6138.922.2177.40000113.3
656P37.2Very low33.8Very low100 Ų100125.4 Ų125.465%0.64974%0.737SS**  cis-135.7-133.8-25.240.4-18.5000112.8
657D34.9Very low33.7Very low140 Ų140127.8 Ų127.875%0.74974%0.742SS**  trans83.7112.4165.2-58.5-38.9000118.8
658S31.2Very low33.6Very low103 Ų103127.4 Ų127.472%0.7274%0.738SS**  cis84.7153.527.2-153.60000114.4
659P41.6Very low33.3Very low107 Ų107130.8 Ų130.870%0.69575%0.747SS**  -130-128.3-56.740.8-26.2000111.9
660V32.6Very low33.3Very low135 Ų135125.8 Ų125.882%0.81874%0.741SS**  trans78.8136.7169.1-175.10000116
661A33.4Very low33.6Very low93 Ų93130.8 Ų130.877%0.76975%0.752SS**  cis-160.2154.1-24.200000108
662G35.1Very low33.6Very low77 Ų77125.9 Ų125.979%0.79474%0.743SS**  115.5171.978.500000110.1
663S34.6Very low33.7Very low96 Ų96133.8 Ų133.867%0.67176%0.76SS**  cis-172.9126.1-15.6161.80000109.7
664L35Very low34Very low172 Ų172131.3 Ų131.390%0.90176%0.762SS**  trans-179.693.9165.8-103.6161.2000107.6
665K32.2Very low34.2Very low174 Ų174131.2 Ų131.276%0.75777%0.766SS**  cis78.59615.8-163.4175.9-176.31760117.2
666N38.6Very low34.2Very low133 Ų133133.6 Ų133.671%0.71177%0.769SS**  trans171.8147.1149.1-85.4-36.4000106.8
667K32.6Very low34.1Very low175 Ų175136.7 Ų136.776%0.76177%0.772SS**  cis-170.7163.3-7.7-96.1175.6-177.8178.80105.7
668I32.6Very low33.9Very low127 Ų127137.5 Ų137.565%0.65177%0.772SS**  cis-162125.8-22.7-109.7173.8000103.1
669E29.3Very low33.8Very low184 Ų184136.3 Ų136.386%0.8676%0.763SS**  6066.380-159.7179.4-163.300115.3
670A32.2Very low33.2Very low86 Ų86139.2 Ų139.271%0.71177%0.768SS**  trans-155.5159.3165.100000111.7
671L38.4Very low33.2Very low168 Ų168139.7 Ų139.788%0.8877%0.766SS**  trans63.889.8179-53.9174.9000115.1
672S33.4Very low33.1Very low99 Ų99139.6 Ų139.669%0.69276%0.76SS**  cis98.590.94974.70000115.6
673R31Very low32.9Very low251 Ų251142 Ų14295%0.94776%0.759SS**  27.3121.3129.8-58173.1178.5144.3-0.8119.8
674A35.1Very low32.7Very low96 Ų96143.2 Ų143.279%0.79377%0.765SS**  trans-167.3156.9132.400000111.6
675S36.2Very low32.5Very low118 Ų118143.1 Ų143.183%0.82576%0.763SS**  trans38.8102.7168.2-600000118.2
676Q32Very low32.4Very low171 Ų171139.9 Ų139.980%0.79976%0.763SS**  cis76.3133.816.5-146.5-164.738.500117.2
677K33.9Very low32.6Very low165 Ų165139.3 Ų139.372%0.71777%0.766SS**  trans82.7137.6173.4-58.9-174.7-177.3-179.50115.1
678Q31.9Very low32.7Very low157 Ų157136.8 Ų136.873%0.73477%0.768SS**  cis-153.1138.41.7-118.4170.1-5800109.2
679S28.6Very low32.4Very low78 Ų78136.5 Ų136.555%0.54578%0.777SS.*  55.4137.9100.881.40000115.5
680E28.3Very low32.5Very low169 Ų169134 Ų13479%0.7977%0.774SS**  cis-169.8-170.74.4-124152.6-141.500110.3
681N32.2Very low32.3Very low144 Ų144135.4 Ų135.477%0.7777%0.774SS**  trans72.5116.3172.8-66.2-7.2000116.8
682S32.3Very low31.7Very low92 Ų92135 Ų13564%0.64377%0.771SS**  82.4132.752.977.60000113.3
683T30.9Very low31.5Very low128 Ų128135.9 Ų135.979%0.78578%0.778SS**  cis-163.2152.20.64.40000108.7
684P29.5Very low31.3Very low121 Ų121131.1 Ų131.179%0.78677%0.771SS**  trans-89145.2-179.635-33.6000113.4
685I31.6Very low31.1Very low169 Ų169133.6 Ų133.687%0.86778%0.777SS**  trans-139.3139.7167.4-62.4-175.8000109.8
686S29.8Very low30.7Very low107 Ų107134.4 Ų134.475%0.74878%0.777SS**  trans-84.7166.7-170.9-49.50000114.3
687P42.1Very low30.8Very low120 Ų120129.7 Ų129.778%0.77977%0.774SS**  trans-90.3174.3-17438-37.3000113.8
688P36.5Very low30.7Very low123 Ų123127.2 Ų127.280%0.79977%0.773SS**  trans-136.5150.8142.737.7-25.5000114.6
689S26Very low30.5Very low121 Ų121125.8 Ų125.885%0.84678%0.775SS**  trans-93.1130.3176.1-51.30000112.3
690V31.5Very low30.8Very low132 Ų132129.9 Ų129.980%0.879%0.785SS**  trans-143.396164.5-170.20000113
691T26.4Very low31Very low115 Ų115127.9 Ų127.971%0.70678%0.779SS**  35.6115.5123.2-45.10000121.5
692L26.5Very low30.9Very low158 Ų158129.1 Ų129.183%0.82779%0.785SS**  trans52.8124.1146.9-60.6170.1000121.1
693S29Very low30.6Very low118 Ų118133.1 Ų133.183%0.82579%0.791SS**  170.3165.195.650.70000114.5
694N27Very low30.7Very low151 Ų151136.2 Ų136.281%0.80780%0.796SS**  trans-70.3151.7-168.3-45.1-21.7000114.9
695T31.2Very low30.7Very low148 Ų148139 Ų13991%0.90880%0.796SS**  -164156.9120.35.80000113.7
696T28.2Very low31Very low136 Ų136140.3 Ų140.383%0.83480%0.798SS**  trans-95.2147.1-172.1-45.80000112.8
697G33.2Very low30.8Very low72 Ų72140 Ų14074%0.74280%0.796SS**  trans-154.5149.1168.700000111.2
698T31.6Very low30.3Very low113 Ų113138.3 Ų138.369%0.69379%0.787SS**  trans-140155.3-155.8-36.70000113.5
699V28.6Very low30Very low127 Ų127141.6 Ų141.677%0.7779%0.789SS**  trans63157.8169.4-86.50000116.8
700H34.3Very low30.3Very low163 Ų163142.6 Ų142.676%0.75578%0.78SS**  cis-142.5161.819.8-157-91.4000115.8
701L31.7Very low30.1Very low127 Ų127143 Ų14367%0.66578%0.778SS**  trans-60145.6175.1178.379.6000114.7
702L31.2Very low30.4Very low171 Ų171142 Ų14290%0.89578%0.781SS**  trans-149.3160.8139.3-111.2168.9000111.5
703K26.4Very low30.7Very low176 Ų176144 Ų14477%0.76579%0.786SS**  trans-159.5130.5-165168.4-171.9176.7-1790110.1
704E33.5Very low30.8Very low192 Ų192147 Ų14790%0.89779%0.787SS**  trans-141.9163.2173.4-147.5149.1-13600112.5
705K28.7Very low31.2Very low179 Ų179144.3 Ų144.378%0.77878%0.778SS**  trans-117.4151-173.3-63.2177.1176.9-179.40110.7
706H37.4Very low31.4Very low197 Ų197143.7 Ų143.791%0.91277%0.774SS**  trans-138.1151.9145.5-86.4-81.6000111
707S25.5Very low31.5Very low102 Ų102146.1 Ų146.171%0.71377%0.772SS**  trans-154.8-176.1-179.861.40000110.3
708S31.1Very low31.6Very low84 Ų84148.5 Ų148.559%0.58778%0.775SS**  trans82.9143.1-173.7-44.60000112.8
709F31.8Very low31.5Very low191 Ų191151.8 Ų151.884%0.83878%0.782SS**  cis-149.4160.217.7-69.7-87.7000108.8
710E31Very low31.5Very low143 Ų143152.6 Ų152.667%0.66878%0.782SS**  cis-151.8-118.5-17.1-157.354.1-125.600110.7
711N28.4Very low31.5Very low141 Ų141151.3 Ų151.375%0.75479%0.788SS**  trans-143.9157.3-169.1-59.9-81.2000116.1
712A32.2Very low31.3Very low92 Ų92156.1 Ų156.176%0.7680%0.797SS**  trans160.2144.8143.600000110.6
713E32.6Very low31.2Very low201 Ų201155.6 Ų155.694%0.93979%0.79SS**  cis-153.9173-11.8-116.7177.814700110
714E30.2Very low31.5Very low180 Ų180157.5 Ų157.584%0.84179%0.792SS**  trans-114.3-164.8-173.5-127-160.3144.700110.8
715P37.4Very low31.1Very low95 Ų95155 Ų15562%0.61779%0.79SS**  cis-135.5-173.6-2332.9-11.3000114.5
716V35Very low31.2Very low135 Ų135150.3 Ų150.382%0.81879%0.793SS**  165.9144.8123.5157.50000112.1
717K28.8Very low30.8Very low187 Ų187150.2 Ų150.281%0.81379%0.79SS**  trans-144.9157.4177.2-83.8-177.9176.2172.80112.2
718P35.3Very low31Very low122 Ų122152.9 Ų152.979%0.79279%0.794SS**  -123.7128.6125.834.3-26.4000110.3
719Q30.6Very low30.9Very low182 Ų182156.1 Ų156.185%0.8580%0.804SS**  89.9139.458-75.9-156.220.200114.4
720L29.3Very low30.8Very low145 Ų145152.2 Ų152.276%0.75980%0.801SS**  trans-108.5165.6-168.5-47.992.5000112.8
721P33.3Very low30.9Very low135 Ų135152.1 Ų152.188%0.87781%0.81SS**  trans-78.9126.3142.3-9.427.9000111.2
722R27Very low30.9Very low228 Ų228153.2 Ų153.286%0.8681%0.808SS**  trans-118.1121.8163.2-101.2-179.4165.1168.9-4.3107.3
723E30.6Very low30.8Very low160 Ų160154.3 Ų154.375%0.74880%0.801SS**  trans-178.2144.9159.1-109.5-177.2-123.300108.8
724R31.3Very low30.8Very low216 Ų216155.6 Ų155.682%0.81580%0.797SS**  cis-132.2151.6-0.4-78.5179.8178.9170.95111.6
725T26.4Very low30.6Very low139 Ų139154.5 Ų154.585%0.85379%0.79SS**  trans-78.2128.9164.750.50000111.8
726G30.5Very low30.2Very low81 Ų81157.2 Ų157.284%0.83579%0.794SS**  trans-120.277.3173.600000113.1
727K29.5Very low29.9Very low196 Ų196155.8 Ų155.885%0.85279%0.79SS**  trans-75.6130.8164.3-66.7177.2179.5176.70108.8
728I28.1Very low29.8Very low157 Ų157150 Ų15081%0.80578%0.784SS**  trans-163.1130.1148.8-110.5151.3000112.9
729L28.7Very low29.9Very low152 Ų152152.2 Ų152.280%0.79679%0.788SS**  trans46.6116.1155.6-56175.6000121.1
730S30Very low29.8Very low109 Ų109148.4 Ų148.476%0.76278%0.781SS**  trans-64.2145.9146.1730000110.6
731V33.4Very low30.1Very low142 Ų142148.6 Ų148.686%0.86179%0.788SS**  trans-113.1140156.7-179.50000108.2
732K27.7Very low29.9Very low163 Ų163151.7 Ų151.771%0.70979%0.788SS**  trans-139.6162.3-173.1164.6170171.9165.70109.5
733D30.3Very low31.1Very low115 Ų115145.9 Ų145.962%0.61578%0.78SS**  trans74.6150.8-179.4-50.6-43000112.3
734R32.8Very low31.8Very low229 Ų229144.4 Ų144.486%0.86478%0.784SS**  cis-129.9150.727-81.9-178.2177.1169.30.4112.7
735F27.3Very low31.9Very low157 Ų157139.3 Ų139.369%0.68978%0.781SS**  62.2134.970.4-103.4-126.7000111.8
736E28.9Very low32.7Very low152 Ų152138.6 Ų138.671%0.7178%0.782SS**  cis-160.9173.93.5-146.8-179.5176.900112.7
737S28.1Very low33.2Very low104 Ų104141.2 Ų141.273%0.72779%0.785SS**  trans-10.8150.4162.862.20000122.4
738G27.5Very low33.5Very low67 Ų67135.1 Ų135.169%0.69178%0.778SS**  trans168.3142.5143.800000117.1
739I36.5Very low33.8Very low168 Ų168133.3 Ų133.386%0.86278%0.779SS**  trans57.492.5160.9-45.4176000115.1
740S28Very low34Very low102 Ų102133.3 Ų133.371%0.71378%0.779SS**  cis72.8106.748.4-163.70000116.1
741T35.7Very low34.3Very low149 Ų149134.1 Ų134.191%0.91478%0.779SS**  trans-163.8169.3131.711.30000110.3
742K29.6Very low34.2Very low199 Ų199132.2 Ų132.287%0.86577%0.772SS**  trans-120.4160.8-156.9-89.7-175.4175.1179.10115.9
743P53.1Low35Very low106 Ų106129.5 Ų129.569%0.68877%0.771SS**  trans-91.2-173173.540.7-38.4000112.6
744P44.9Very low35.1Very low129 Ų129133.2 Ų133.284%0.83878%0.781SS**  trans-121.1160.7137.333.5-21.8000112.1
745S33.6Very low35Very low109 Ų109130.8 Ų130.876%0.76278%0.777SS**  trans-161146.6-174.556.90000112.6
746S41.6Very low35.3Very low125 Ų125128.7 Ų128.787%0.87478%0.777SS**  trans-130.8150.2-177.2-69.60000115.4
747P41.1Very low35.4Very low136 Ų136128 Ų12888%0.88378%0.778SS**  trans-142.2-172.2-153.541-18.7000117.3
748G36.9Very low35.5Very low68 Ų68127.7 Ų127.770%0.70177%0.772SS**  trans119.4157.2165.900000113.8
749S35.1Very low35.6Very low119 Ų119131.8 Ų131.883%0.83277%0.773SS**  cis-173.9159.3-8.3-89.30000108.3
750L31.1Very low35.3Very low151 Ų151131.2 Ų131.279%0.79177%0.767SS**  cis-174.5157.4-18.8176.360.4000107.9
751V37Very low35.2Very low127 Ų127131.7 Ų131.777%0.7777%0.766SS**  trans147.6152.1144.2169.90000112.1
752S32Very low34.8Very low101 Ų101131.5 Ų131.571%0.70676%0.759SS**  trans-148.6-146.7-171.1-50.40000107.8
753P43.6Very low34.6Very low106 Ų106128.3 Ų128.369%0.68876%0.756SS**  cis-142.6-172.6-12.431.4-6.4000116.7
754K33.8Very low33.5Very low193 Ų193129.8 Ų129.884%0.83977%0.766SS**  trans94.9149153.3-62.1173.8-176.6174.10118.9
755K30Very low32.8Very low178 Ų178128.3 Ų128.377%0.77477%0.765SS**  cis-177.3136-29.1-153.3-177.3-177.2-172.80106.6
756V34.4Very low32.5Very low114 Ų114128.4 Ų128.469%0.69177%0.765SS**  168.1133.493.5159.30000109
757N29.4Very low31.8Very low137 Ų137128.2 Ų128.273%0.73376%0.764SS**  trans33.8154145.7-62.442.7000122.9
758T30.6Very low31.6Very low97 Ų97128 Ų12860%0.59575%0.754SS**  cis-157.6153.72.8-114.70000110.5
759E29.4Very low31.5Very low154 Ų154132.4 Ų132.472%0.7276%0.761SS**  trans22.2142.4157.3-58.5160.1-146.300120.9
760Q31.2Very low31.4Very low156 Ų156129.7 Ų129.773%0.72974%0.742SS**  -170.1140.951.2-144.3158.378.400113.4
761T24.5Very low31.8Very low112 Ų112131.1 Ų131.169%0.68775%0.745SS**  trans40129.8153.154.70000125.1
762N27.4Very low31.7Very low145 Ų145128.6 Ų128.678%0.77574%0.737SS**  trans90.1127.7142-63-9.9000123.1
763T25.7Very low32.6Very low132 Ų132125.5 Ų125.581%0.8171%0.711SS**  trans52.2109.1152.841.70000121.1
764P31.2Very low33.2Very low136 Ų136125 Ų12588%0.88371%0.707SS**  trans-102.7105.9161.634.7-24.4000111.9
765A28.9Very low35.3Very low99 Ų99120 Ų12082%0.81869%0.689SS**  trans-139.822.8174.800000113.3
766S27.2Very low37.9Very low111 Ų111112 Ų11278%0.77666%0.655SS**SBendtrans-162.676.8-176.957.20000112.2
767S28.6Very low40.4Very low121 Ų121111 Ų11185%0.84664%0.642SS**  trans-176.3145.9168.4-75.30000105.4
768I36Very low43Very low132 Ų132107.6 Ų107.668%0.67763%0.627SS**  cis-140.7131.923.2-62.6165.9000108
769L34.1Very low45.8Very low160 Ų160104.1 Ų104.184%0.83860%0.604SS**  trans-101.9135139.8-69.1176.4000106.1E773L769-E773 WeakPolarHBondContact CA-OE2 3.42Å; L769-E773 WeakPolarHBondContact CB-OE2 3.35Å; L769-E773 VanDerWaalsContact CD2-OE2 3.29Å; L769-E773 WeakPolarHBondContact CD2-OE2 3.46Å
770S33.7Very low48.6Very low62 Ų6297.1 Ų97.143%0.43457%0.571SS.*  trans-129.4158.1-177.455.60000111.5A772 E773S770-A772 PolarHBondContact O-N 2.8Å; S770-E773 PolarHBondContact N-OE2 2.63Å; S770-E773 PolarHBondContact O-N 3.03Å
771E38.9Very low51.5Low181 Ų18193.5 Ų93.585%0.84655%0.554SS**G310 helixtrans-57.5-13.6-167.5-59.2172.6134.900114.7E773 T774E771-E773 VanDerWaalsContact C-N 3.31Å; E771-E773 PolarHBondContact O-N 3.23Å; E771-T774 VanDerWaalsContact O-CG2 3.29Å; E771-T774 WeakPolarHBondContact O-CG2 3.09Å; E771-T774 PolarHBondContact O-OG1 2.89Å
772A36.1Very low54.5Low74 Ų7495 Ų9561%0.61255%0.547SS*.G310 helixtrans-71.7-13.5172.800000115.3S770 T774 T778S770-A772 PolarHBondContact O-N 2.8Å; A772-T774 PolarHBondContact O-N 2.89Å; A772-T778 PolarHBondContact O-OG1 3.38Å
773E50.2Low57.6Low36 Ų3688.3 Ų88.317%0.16851%0.511CS..G310 helixtrans-85.816.5-178.7-69.1158.1156.400112.9L769 S770 E771 N775 R782L769-E773 WeakPolarHBondContact CA-OE2 3.42Å; L769-E773 WeakPolarHBondContact CB-OE2 3.35Å; L769-E773 VanDerWaalsContact CD2-OE2 3.29Å; L769-E773 WeakPolarHBondContact CD2-OE2 3.46Å; S770-E773 PolarHBondContact N-OE2 2.63Å; S770-E773 PolarHBondContact O-N 3.03Å; E771-E773 VanDerWaalsContact C-N 3.31Å; E771-E773 PolarHBondContact O-N 3.23Å; E773-N775 VanDerWaalsContact C-N 3.35Å; E773-N775 PolarHBondContact O-N 2.87Å; E773-R782 IonicContact OE1-CZ 3.82Å; E773-R782 IonicContact OE1-NH1 3.98Å; E773-R782 PolarHBondContact OE1-NH1 3.32Å; E773-R782 IonicContact OE1-NH2 2.73Å
774T56.6Low60.7Low96 Ų9683.6 Ų83.659%0.58948%0.481SS*.G310 helixtrans-81.8-4.1-175.844.30000114.9E771 A772 R1218E771-T774 VanDerWaalsContact O-CG2 3.29Å; E771-T774 WeakPolarHBondContact O-CG2 3.09Å; E771-T774 PolarHBondContact O-OG1 2.89Å; A772-T774 PolarHBondContact O-N 2.89Å; T774-R1218 VanDerWaalsContact C-NH1 3.33Å; T774-R1218 VanDerWaalsContact O-CZ 3.23Å; T774-R1218 PolarHBondContact O-NH1 3.48Å; T774-R1218 PolarHBondContact O-NH2 3.31Å
775N76.6Confident63.4Low86 Ų8679.5 Ų79.546%0.4645%0.452SS..  trans-122.9136.6179.6-174.4-19000110.9E773 E777 T778 F779E773-N775 VanDerWaalsContact C-N 3.35Å; E773-N775 PolarHBondContact O-N 2.87Å; N775-E777 PolarHBondContact OD1-N 2.91Å; N775-T778 HydrophobicContact CB-CG2 4.06Å; N775-T778 PolarHBondContact O-OG1 3.43Å; N775-F779 PolarHBondContact O-N 3.34Å
776V85Confident66.3Low10 Ų1079 Ų796%0.06143%0.431CS..Hα-helixtrans-69.2-34.8179.9177.70000111.2F779 W780 K1211 E1215 M1241V776-F779 PolarHBondContact O-N 2.7Å; V776-W780 WeakPolarHBondContact O-CB 3.49Å; V776-W780 PolarHBondContact O-N 2.89Å; V776-K1211 HydrophobicContact CG1-CB 4.22Å; V776-K1211 HydrophobicContact CG1-CG 4.29Å; V776-E1215 HydrophobicContact CB-CG 4.37Å; V776-E1215 HydrophobicContact CG2-CG 3.43Å; V776-E1215 VanDerWaalsContact CG2-CG 3.43Å; V776-M1241 HydrophobicContact CG1-CE 4.33Å
777E87.5Confident69.3Low93 Ų9374 Ų7444%0.43540%0.396SS..Hα-helixtrans-73.9-30.1179.7-164.957.6-141.700112.1N775 Q781 K1211N775-E777 PolarHBondContact OD1-N 2.91Å; E777-Q781 VanDerWaalsContact O-CB 3.29Å; E777-Q781 WeakPolarHBondContact O-CB 3.18Å; E777-Q781 PolarHBondContact O-N 2.87Å; E777-K1211 IonicContact OE1-NZ 3.19Å; E777-K1211 IonicContact OE2-NZ 3.76Å; E777-K1211 PolarHBondContact OE2-NZ 3.16Å
778T84.6Confident72Confident67 Ų6773.7 Ų73.741%0.41138%0.379SS..Hα-helixtrans-71.7-33.1172.261.40000111.8A772 N775 R782A772-T778 PolarHBondContact O-OG1 3.38Å; N775-T778 HydrophobicContact CB-CG2 4.06Å; N775-T778 PolarHBondContact O-OG1 3.43Å; T778-R782 WeakPolarHBondContact O-CB 3.46Å; T778-R782 PolarHBondContact O-N 2.87Å; T778-R782 VanDerWaalsContact O-N 3.14Å
779F87.8Confident74.3Confident23 Ų2376.9 Ų76.910%0.10138%0.383CS..Hα-helixtrans-68.9-46.4171.6-173-105.5000111.7N775 V776 Q781 R782 C783 W1214 T1238 M1241N775-F779 PolarHBondContact O-N 3.34Å; V776-F779 PolarHBondContact O-N 2.7Å; F779-Q781 PolarHBondContact O-N 3.25Å; F779-R782 WeakPolarHBondContact O-CB 3.46Å; F779-R782 PolarHBondContact O-N 2.9Å; F779-R782 VanDerWaalsContact O-N 3.1Å; F779-C783 PolarHBondContact O-N 3.43Å; F779-C783 PolarHBondContact O-SG 3.11Å; F779-W1214 AromaticContact CD1-CD1 3.99Å; F779-W1214 AromaticContact CD1-CD2 4Å; F779-W1214 HydrophobicContact CD1-CD2 4Å; F779-W1214 AromaticContact CD1-CE2 3.46Å; F779-W1214 VanDerWaalsContact CD1-CE2 3.46Å; F779-W1214 HydrophobicContact CD1-CG 4.31Å; F779-W1214 HydrophobicContact CD1-CH2 4.45Å; F779-W1214 AromaticContact CD1-CZ2 3.74Å; F779-W1214 HydrophobicContact CD1-CZ2 3.74Å; F779-W1214 AromaticContact CD1-NE1 3.46Å; F779-W1214 AromaticContact CD2-CZ2 3.86Å; F779-W1214 HydrophobicContact CD2-CZ2 3.86Å; F779-W1214 AromaticContact CE1-CD2 3.88Å; F779-W1214 HydrophobicContact CE1-CD2 3.88Å; F779-W1214 AromaticContact CE1-CE2 3.53Å; F779-W1214 HydrophobicContact CE1-CE3 4.12Å; F779-W1214 AromaticContact CE1-CH2 3.74Å; F779-W1214 HydrophobicContact CE1-CH2 3.74Å; F779-W1214 AromaticContact CE1-CZ2 3.48Å; F779-W1214 HydrophobicContact CE1-CZ2 3.48Å; F779-W1214 VanDerWaalsContact CE1-CZ2 3.48Å; F779-W1214 HydrophobicContact CE1-CZ3 4.06Å; F779-W1214 AromaticContact CE2-CH2 3.98Å; F779-W1214 HydrophobicContact CE2-CH2 3.98Å; F779-W1214 AromaticContact CE2-CZ2 3.62Å; F779-W1214 HydrophobicContact CE2-CZ2 3.62Å; F779-W1214 AromaticContact CG-CE2 3.86Å; F779-W1214 AromaticContact CG-CZ2 3.92Å; F779-W1214 HydrophobicContact CG-CZ2 3.92Å; F779-W1214 AromaticContact CG-NE1 3.66Å; F779-W1214 AromaticContact CZ-CE2 4Å; F779-W1214 AromaticContact CZ-CH2 3.47Å; F779-W1214 HydrophobicContact CZ-CH2 3.47Å; F779-W1214 VanDerWaalsContact CZ-CH2 3.47Å; F779-W1214 AromaticContact CZ-CZ2 3.42Å; F779-W1214 HydrophobicContact CZ-CZ2 3.42Å; F779-W1214 VanDerWaalsContact CZ-CZ2 3.42Å; F779-W1214 HydrophobicContact CZ-CZ3 4.11Å; F779-T1238 HydrophobicContact CZ-CG2 4.06Å; F779-M1241 HydrophobicContact CD1-SD 3.54Å; F779-M1241 VanDerWaalsContact CD1-SD 3.54Å; F779-M1241 HydrophobicContact CE1-SD 3.59Å; F779-M1241 VanDerWaalsContact CE1-SD 3.59Å
780W89.7Confident76.6Confident8 Ų875.6 Ų75.63%0.0337%0.367CS..Hα-helixtrans-55.6-50174.2-176.9-105.2000111.9V776 R782 C783 L784 E1207 K1211 M1241 V1244 I1245V776-W780 WeakPolarHBondContact O-CB 3.49Å; V776-W780 PolarHBondContact O-N 2.89Å; W780-R782 VanDerWaalsContact C-N 3.28Å; W780-R782 PolarHBondContact O-N 3Å; W780-C783 PolarHBondContact O-N 3.06Å; W780-L784 VanDerWaalsContact O-CB 3.26Å; W780-L784 WeakPolarHBondContact O-CB 3.34Å; W780-L784 PolarHBondContact O-N 3.44Å; W780-E1207 HydrophobicContact CH2-CB 4.06Å; W780-E1207 HydrophobicContact CH2-CG 3.66Å; W780-E1207 HydrophobicContact CZ2-CB 4.4Å; W780-E1207 HydrophobicContact CZ2-CG 3.71Å; W780-E1207 WeakPolarHBondContact CZ2-OE1 3.49Å; W780-E1207 HydrophobicContact CZ3-CG 4.45Å; W780-K1211 HydrophobicContact CD2-CD 4.46Å; W780-K1211 HydrophobicContact CD2-CG 4.47Å; W780-K1211 HydrophobicContact CE3-CG 4.04Å; W780-K1211 HydrophobicContact CZ3-CG 4.27Å; W780-M1241 HydrophobicContact CE3-CB 4.41Å; W780-M1241 HydrophobicContact CE3-CE 4.13Å; W780-M1241 HydrophobicContact CE3-CG 4.08Å; W780-M1241 HydrophobicContact CE3-SD 3.97Å; W780-M1241 HydrophobicContact CZ3-CB 4.32Å; W780-M1241 HydrophobicContact CZ3-CG 4.03Å; W780-M1241 HydrophobicContact CZ3-SD 4.5Å; W780-V1244 HydrophobicContact CH2-CB 4.47Å; W780-V1244 HydrophobicContact CH2-CG1 3.99Å; W780-I1245 HydrophobicContact CD2-CD1 3.98Å; W780-I1245 HydrophobicContact CD2-CG1 4.24Å; W780-I1245 HydrophobicContact CE3-CD1 3.98Å; W780-I1245 HydrophobicContact CE3-CG1 4.26Å; W780-I1245 HydrophobicContact CH2-CD1 4.26Å; W780-I1245 HydrophobicContact CH2-CG1 3.63Å; W780-I1245 HydrophobicContact CZ2-CD1 4.25Å; W780-I1245 HydrophobicContact CZ2-CG1 3.58Å; W780-I1245 HydrophobicContact CZ3-CD1 4.13Å; W780-I1245 HydrophobicContact CZ3-CG1 3.98Å
781Q90.3Very high79Confident80 Ų8076.2 Ų76.237%0.37437%0.369SS..Hα-helixtrans-59.5-36.8176.1-179.958.74200112.4E777 F779 L784 D785E777-Q781 VanDerWaalsContact O-CB 3.29Å; E777-Q781 WeakPolarHBondContact O-CB 3.18Å; E777-Q781 PolarHBondContact O-N 2.87Å; F779-Q781 PolarHBondContact O-N 3.25Å; Q781-L784 PolarHBondContact O-N 2.84Å; Q781-D785 PolarHBondContact NE2-OD1 3.23Å; Q781-D785 PolarHBondContact NE2-OD2 3.27Å; Q781-D785 PolarHBondContact O-N 3.41Å
782R88.9Confident81.2Confident144 Ų14468 Ų6854%0.54333%0.331SS..Hα-helixtrans-69.5-41.3176.4-178.9176.2175.4-176.4-8.4112.4E773 T778 F779 W780 L784 K786E773-R782 IonicContact OE1-CZ 3.82Å; E773-R782 IonicContact OE1-NH1 3.98Å; E773-R782 PolarHBondContact OE1-NH1 3.32Å; E773-R782 IonicContact OE1-NH2 2.73Å; T778-R782 WeakPolarHBondContact O-CB 3.46Å; T778-R782 PolarHBondContact O-N 2.87Å; T778-R782 VanDerWaalsContact O-N 3.14Å; F779-R782 WeakPolarHBondContact O-CB 3.46Å; F779-R782 PolarHBondContact O-N 2.9Å; F779-R782 VanDerWaalsContact O-N 3.1Å; W780-R782 VanDerWaalsContact C-N 3.28Å; W780-R782 PolarHBondContact O-N 3Å; R782-L784 VanDerWaalsContact C-N 3.33Å; R782-K786 WeakPolarHBondContact O-CB 3.39Å; R782-K786 PolarHBondContact O-N 2.89Å; R782-K786 VanDerWaalsContact O-N 3.09Å
783C91.1Very high83.6Confident4 Ų471.8 Ų71.83%0.02733%0.329CS..Hα-helixtrans-62.1-42.8170.8-68.50000110.6F779 W780 D785 K786 V787 E1242 I1245F779-C783 PolarHBondContact O-N 3.43Å; F779-C783 PolarHBondContact O-SG 3.11Å; W780-C783 PolarHBondContact O-N 3.06Å; C783-D785 PolarHBondContact O-N 3.36Å; C783-K786 CarbonylContact O-C 3.59Å; C783-K786 WeakPolarHBondContact O-CA 3.31Å; C783-K786 WeakPolarHBondContact O-CB 3.49Å; C783-K786 PolarHBondContact O-N 3.04Å; C783-V787 VanDerWaalsContact O-CG2 3.31Å; C783-V787 WeakPolarHBondContact O-CG2 3.39Å; C783-V787 PolarHBondContact O-N 2.84Å; C783-E1242 HydrophobicContact CB-CG 3.97Å; C783-I1245 HydrophobicContact CB-CD1 3.7Å
784L90.8Very high85.2Confident33 Ų3370.2 Ų70.217%0.17332%0.322CS..Hα-helixtrans-63.9-42.5-179.7178.9133.7000112.5W780 Q781 R782 K786 V787 K788 I1245W780-L784 VanDerWaalsContact O-CB 3.26Å; W780-L784 WeakPolarHBondContact O-CB 3.34Å; W780-L784 PolarHBondContact O-N 3.44Å; Q781-L784 PolarHBondContact O-N 2.84Å; R782-L784 VanDerWaalsContact C-N 3.33Å; L784-K786 VanDerWaalsContact C-N 3.29Å; L784-K786 PolarHBondContact O-N 2.96Å; L784-V787 PolarHBondContact O-N 3.2Å; L784-K788 HydrophobicContact CD2-CD 4.38Å; L784-K788 VanDerWaalsContact O-CG 3.28Å; L784-K788 WeakPolarHBondContact O-CG 3.4Å; L784-K788 PolarHBondContact O-N 3.11Å; L784-I1245 HydrophobicContact CB-CD1 4.01Å; L784-I1245 HydrophobicContact CB-CG2 4.08Å; L784-I1245 HydrophobicContact CD1-CG2 3.91Å; L784-I1245 HydrophobicContact CG-CG2 4.05Å
785D89Confident86.6Confident50 Ų5070.4 Ų70.427%0.26732%0.315SS..Hα-helixtrans-74-16.8173.3-71.1-26.7000113.7Q781 C783 K788 R789Q781-D785 PolarHBondContact NE2-OD1 3.23Å; Q781-D785 PolarHBondContact NE2-OD2 3.27Å; Q781-D785 PolarHBondContact O-N 3.41Å; C783-D785 PolarHBondContact O-N 3.36Å; D785-K788 WeakPolarHBondContact OD1-CD 3.27Å; D785-K788 IonicContact OD1-NZ 2.69Å; D785-K788 PolarHBondContact OD1-NZ 2.9Å; D785-R789 WeakPolarHBondContact O-CD 3.2Å; D785-R789 WeakPolarHBondContact O-CG 3.42Å; D785-R789 PolarHBondContact O-NH1 3.3Å
786K89.6Confident86.9Confident88 Ų8874.2 Ų74.238%0.38334%0.335SS..Hα-helixtrans-78.2-43.4169.6-178.4178.4171.1-165.40111.2R782 C783 L784 R789 R790 E1242R782-K786 WeakPolarHBondContact O-CB 3.39Å; R782-K786 PolarHBondContact O-N 2.89Å; R782-K786 VanDerWaalsContact O-N 3.09Å; C783-K786 CarbonylContact O-C 3.59Å; C783-K786 WeakPolarHBondContact O-CA 3.31Å; C783-K786 WeakPolarHBondContact O-CB 3.49Å; C783-K786 PolarHBondContact O-N 3.04Å; L784-K786 VanDerWaalsContact C-N 3.29Å; L784-K786 PolarHBondContact O-N 2.96Å; K786-R789 PolarHBondContact O-N 2.8Å; K786-R790 VanDerWaalsContact CE-NH2 3.35Å; K786-E1242 WeakPolarHBondContact CD-OE1 3.4Å; K786-E1242 VanDerWaalsContact CE-OE1 3.29Å; K786-E1242 WeakPolarHBondContact CE-OE1 3.4Å; K786-E1242 WeakPolarHBondContact CE-OE2 3.43Å; K786-E1242 VanDerWaalsContact NZ-CD 3.3Å; K786-E1242 IonicContact NZ-OE1 3.88Å; K786-E1242 PolarHBondContact NZ-OE1 3.16Å; K786-E1242 IonicContact NZ-OE2 3.75Å; K786-E1242 PolarHBondContact NZ-OE2 3.44Å; K786-E1242 VanDerWaalsContact NZ-OE2 3.13Å
787V89.2Confident87.1Confident7 Ų775.8 Ų75.84%0.04234%0.343CS..Hα-helixtrans-66.1-45.1177.71750000111.7C783 L784 R789 R790 E1242 I1245 C1246 M1249C783-V787 VanDerWaalsContact O-CG2 3.31Å; C783-V787 WeakPolarHBondContact O-CG2 3.39Å; C783-V787 PolarHBondContact O-N 2.84Å; L784-V787 PolarHBondContact O-N 3.2Å; V787-R789 PolarHBondContact O-N 3.39Å; V787-R790 PolarHBondContact O-N 3.14Å; V787-E1242 HydrophobicContact CG2-CB 3.74Å; V787-E1242 HydrophobicContact CG2-CG 3.93Å; V787-E1242 WeakPolarHBondContact CG2-O 3.23Å; V787-I1245 HydrophobicContact CB-CG2 4.22Å; V787-I1245 HydrophobicContact CG1-CG2 4.22Å; V787-I1245 HydrophobicContact CG2-CB 4.38Å; V787-I1245 HydrophobicContact CG2-CG2 4.44Å; V787-C1246 HydrophobicContact CG1-CB 4.13Å; V787-M1249 HydrophobicContact CG1-SD 3.97Å
788K86.7Confident87.1Confident113 Ų11374 Ų7449%0.49134%0.337SS..THydrogen-bonded Turntrans-52.7-22.3175.9-78174.6-168.3163.10115L784 D785 M1249L784-K788 HydrophobicContact CD2-CD 4.38Å; L784-K788 VanDerWaalsContact O-CG 3.28Å; L784-K788 WeakPolarHBondContact O-CG 3.4Å; L784-K788 PolarHBondContact O-N 3.11Å; D785-K788 WeakPolarHBondContact OD1-CD 3.27Å; D785-K788 IonicContact OD1-NZ 2.69Å; D785-K788 PolarHBondContact OD1-NZ 2.9Å; K788-M1249 HydrophobicContact CG-CE 4.25Å; K788-M1249 HydrophobicContact CG-SD 4.21Å
789R83.4Confident87.4Confident200 Ų20070.9 Ų70.976%0.75532%0.318SS*.THydrogen-bonded Turntrans-98.20.3-177.7-64.9178.8178.6112-8.4113.5D785 K786 V787D785-R789 WeakPolarHBondContact O-CD 3.2Å; D785-R789 WeakPolarHBondContact O-CG 3.42Å; D785-R789 PolarHBondContact O-NH1 3.3Å; K786-R789 PolarHBondContact O-N 2.8Å; V787-R789 PolarHBondContact O-N 3.39Å
790R83.5Confident87.3Confident132 Ų13273.1 Ų73.150%0.49833%0.333SS..SBendtrans-108.3158.9-179.6-75.8176166.9173.3-2111.2K786 V787 E1242K786-R790 VanDerWaalsContact CE-NH2 3.35Å; V787-R790 PolarHBondContact O-N 3.14Å; R790-E1242 IonicContact CZ-OE2 3.8Å; R790-E1242 IonicContact NH1-OE2 2.83Å; R790-E1242 PolarHBondContact NH1-OE2 2.91Å; R790-E1242 IonicContact NH2-OE2 3.12Å
791P82.4Confident87.1Confident76 Ų7675.6 Ų75.649%0.49435%0.347SS..  trans-59.3142.7163.527.1-34.6000110.2R793 T800P791-R793 HydrophobicContact CB-CG 4.44Å; P791-R793 PolarHBondContact O-N 2.93Å; P791-T800 HydrophobicContact CB-CG2 3.76Å; P791-T800 WeakPolarHBondContact CB-OG1 3.35Å
792L86.8Confident86.6Confident7 Ų771.8 Ų71.84%0.03733%0.329CS..  trans-75.592.3175-67.2-179.4000109F799 T800 L802 M1249 V1250L792-F799 HydrophobicContact CB-CB 3.94Å; L792-F799 CarbonylContact O-C 3.54Å; L792-F799 VanDerWaalsContact O-CA 3.32Å; L792-F799 WeakPolarHBondContact O-CA 3.4Å; L792-F799 WeakPolarHBondContact O-CB 3.43Å; L792-F799 PolarHBondContact O-N 3.25Å; L792-T800 PolarHBondContact O-N 3.5Å; L792-L802 HydrophobicContact CD1-CB 4.35Å; L792-M1249 HydrophobicContact CD1-CB 4.45Å; L792-M1249 HydrophobicContact CD2-CB 3.98Å; L792-M1249 HydrophobicContact CD2-CE 4.21Å; L792-M1249 HydrophobicContact CD2-SD 4.34Å; L792-V1250 HydrophobicContact CB-CG2 4.34Å; L792-V1250 HydrophobicContact CD1-CG2 4.22Å
793R85Confident85.7Confident154 Ų15469.4 Ų69.458%0.58132%0.324SS*.EExtended strand (participates in β ladder)trans-130.5143.5176.1-71.3-178.8168.5-171.3-8.9109.8P791 L797 D798P791-R793 HydrophobicContact CB-CG 4.44Å; P791-R793 PolarHBondContact O-N 2.93Å; R793-L797 WeakPolarHBondContact CA-O 3.04Å; R793-D798 HydrophobicContact CG-CB 4.38Å; R793-D798 IonicContact CZ-OD2 3.5Å; R793-D798 IonicContact NE-OD1 3.65Å; R793-D798 IonicContact NE-OD2 3.72Å; R793-D798 PolarHBondContact NE-OD2 2.96Å; R793-D798 IonicContact NH2-OD2 2.74Å; R793-D798 PolarHBondContact NH2-OD2 3.15Å
794L85.6Confident84.3Confident4 Ų472.2 Ų72.22%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-142.798.7-173.7-162.882.4000109.6D796 L797 E1098 A1102 R1243 C1246 L1247L794-D796 PolarHBondContact O-N 3.49Å; L794-L797 PolarHBondContact N-O 3.14Å; L794-L797 WeakPolarHBondContact O-CB 3.5Å; L794-L797 PolarHBondContact O-N 2.91Å; L794-L797 VanDerWaalsContact O-N 3.09Å; L794-E1098 WeakPolarHBondContact CD1-OE1 3.21Å; L794-E1098 HydrophobicContact CD2-CG 4.25Å; L794-A1102 HydrophobicContact CD2-CB 3.59Å; L794-R1243 HydrophobicContact CD1-CB 3.92Å; L794-R1243 HydrophobicContact CD1-CG 4.17Å; L794-C1246 HydrophobicContact CD1-CB 4.18Å; L794-L1247 HydrophobicContact CD1-CG 4.35Å; L794-L1247 HydrophobicContact CD2-CD1 4.43Å; L794-L1247 HydrophobicContact CD2-CD2 3.46Å; L794-L1247 VanDerWaalsContact CD2-CD2 3.46Å; L794-L1247 HydrophobicContact CD2-CG 3.78Å
795K84.2Confident82.4Confident100 Ų10078.3 Ų78.344%0.43538%0.375SS..THydrogen-bonded Turntrans48.7-125.3-159.4-80.9148.7-177.3165.40108.3L797 E1095 E1098 R1243K795-L797 VanDerWaalsContact C-N 3.34Å; K795-E1095 WeakPolarHBondContact CE-OE1 3.32Å; K795-E1095 IonicContact NZ-OE1 2.79Å; K795-E1095 PolarHBondContact NZ-OE1 3.27Å; K795-E1098 WeakPolarHBondContact CE-OE2 3.28Å; K795-E1098 IonicContact NZ-OE2 2.65Å; K795-E1098 PolarHBondContact NZ-OE2 3.41Å; K795-R1243 VanDerWaalsContact CD-NH2 3.31Å; K795-R1243 VanDerWaalsContact CG-NH2 3.3Å
796D84.2Confident80.8Confident165 Ų16577.6 Ų77.688%0.88237%0.37SS*.THydrogen-bonded Turntrans-85.1-5-176.2-48.9-74.8000113.9L794L794-D796 PolarHBondContact O-N 3.49Å
797L88.2Confident78.7Confident44 Ų4477.7 Ų77.723%0.2337%0.372CS..EExtended strand (participates in β ladder)trans-83.4118179.2-57.6176.3000110.7R793 L794 K795 F799 A1102 N1106R793-L797 WeakPolarHBondContact CA-O 3.04Å; L794-L797 PolarHBondContact N-O 3.14Å; L794-L797 WeakPolarHBondContact O-CB 3.5Å; L794-L797 PolarHBondContact O-N 2.91Å; L794-L797 VanDerWaalsContact O-N 3.09Å; K795-L797 VanDerWaalsContact C-N 3.34Å; L797-F799 HydrophobicContact CB-CD2 4.33Å; L797-F799 HydrophobicContact CB-CE2 3.68Å; L797-F799 HydrophobicContact CB-CZ 4.35Å; L797-F799 HydrophobicContact CD1-CE2 4.4Å; L797-A1102 HydrophobicContact CD1-CB 3.82Å; L797-N1106 HydrophobicContact CD1-CB 4.33Å; L797-N1106 HydrophobicContact CD2-CB 4.09Å
798D87.8Confident76.4Confident56 Ų5685 Ų8530%0.29941%0.406SS..EExtended strand (participates in β ladder)trans-99.4123.3177.2-160.9-19.7000111.5R793 T800 K1109R793-D798 HydrophobicContact CG-CB 4.38Å; R793-D798 IonicContact CZ-OD2 3.5Å; R793-D798 IonicContact NE-OD1 3.65Å; R793-D798 IonicContact NE-OD2 3.72Å; R793-D798 PolarHBondContact NE-OD2 2.96Å; R793-D798 IonicContact NH2-OD2 2.74Å; R793-D798 PolarHBondContact NH2-OD2 3.15Å; D798-T800 WeakPolarHBondContact OD1-CB 3.15Å; D798-T800 PolarHBondContact OD1-N 2.94Å; D798-T800 PolarHBondContact OD1-OG1 3Å; D798-K1109 PolarHBondContact O-NZ 3.34Å
799F90.4Very high74.1Confident1 Ų184.3 Ų84.30%0.00441%0.408CS..  trans-122.215.5177.1-63.1-83.3000112.2L792 L797 D801 L802 L1105 N1106 K1109 V1250L792-F799 HydrophobicContact CB-CB 3.94Å; L792-F799 CarbonylContact O-C 3.54Å; L792-F799 VanDerWaalsContact O-CA 3.32Å; L792-F799 WeakPolarHBondContact O-CA 3.4Å; L792-F799 WeakPolarHBondContact O-CB 3.43Å; L792-F799 PolarHBondContact O-N 3.25Å; L797-F799 HydrophobicContact CB-CD2 4.33Å; L797-F799 HydrophobicContact CB-CE2 3.68Å; L797-F799 HydrophobicContact CB-CZ 4.35Å; L797-F799 HydrophobicContact CD1-CE2 4.4Å; F799-D801 PolarHBondContact O-N 3.29Å; F799-D801 VanDerWaalsContact O-N 3.07Å; F799-L802 HydrophobicContact CB-CD1 4.03Å; F799-L802 HydrophobicContact CD1-CD1 4.09Å; F799-L802 HydrophobicContact CG-CD1 4.48Å; F799-L802 WeakPolarHBondContact O-CB 3.16Å; F799-L802 PolarHBondContact O-N 2.71Å; F799-L1105 HydrophobicContact CE1-CB 4.32Å; F799-L1105 HydrophobicContact CZ-CB 4.24Å; F799-N1106 HydrophobicContact CE1-CB 4.22Å; F799-N1106 HydrophobicContact CZ-CB 3.88Å; F799-K1109 HydrophobicContact CD1-CD 4.02Å; F799-K1109 HydrophobicContact CE1-CD 4.4Å; F799-V1250 HydrophobicContact CB-CG1 4.41Å; F799-V1250 HydrophobicContact CB-CG2 3.76Å; F799-V1250 HydrophobicContact CD1-CG1 3.48Å; F799-V1250 VanDerWaalsContact CD1-CG1 3.48Å; F799-V1250 HydrophobicContact CD1-CG2 4.32Å; F799-V1250 HydrophobicContact CD2-CG1 4.08Å; F799-V1250 HydrophobicContact CD2-CG2 3.85Å; F799-V1250 HydrophobicContact CE1-CG1 3.54Å; F799-V1250 HydrophobicContact CE2-CG1 4.13Å; F799-V1250 HydrophobicContact CE2-CG2 4.48Å; F799-V1250 HydrophobicContact CG-CB 4.46Å; F799-V1250 HydrophobicContact CG-CG1 3.76Å; F799-V1250 HydrophobicContact CG-CG2 3.75Å; F799-V1250 HydrophobicContact CZ-CG1 3.86Å
800T87.1Confident71.8Confident69 Ų6978.3 Ų78.342%0.42341%0.408SS..THydrogen-bonded Turntrans-63.1-15.8-174.8-530000113.6P791 L792 D798P791-T800 HydrophobicContact CB-CG2 3.76Å; P791-T800 WeakPolarHBondContact CB-OG1 3.35Å; L792-T800 PolarHBondContact O-N 3.5Å; D798-T800 WeakPolarHBondContact OD1-CB 3.15Å; D798-T800 PolarHBondContact OD1-N 2.94Å; D798-T800 PolarHBondContact OD1-OG1 3Å
801D84.1Confident69.3Low60 Ų6080.1 Ų80.132%0.32142%0.42SS..THydrogen-bonded Turntrans-78.6-10.9174.264.5-57.7000114.5F799 E803 K1109 R1257F799-D801 PolarHBondContact O-N 3.29Å; F799-D801 VanDerWaalsContact O-N 3.07Å; D801-E803 PolarHBondContact O-N 3.41Å; D801-E803 VanDerWaalsContact O-N 3.16Å; D801-K1109 WeakPolarHBondContact OD1-CE 3.36Å; D801-K1109 IonicContact OD1-NZ 2.93Å; D801-K1109 PolarHBondContact OD1-NZ 2.92Å; D801-K1109 WeakPolarHBondContact OD2-CE 3.28Å; D801-K1109 IonicContact OD2-NZ 3.53Å; D801-R1257 PolarHBondContact O-NH2 3.04Å; D801-R1257 IonicContact OD2-CZ 2.69Å; D801-R1257 IonicContact OD2-NH1 2.68Å; D801-R1257 PolarHBondContact OD2-NH1 3.33Å
802L81Confident66.7Low1 Ų184.8 Ų84.81%0.00544%0.435CS..SBendtrans-75.493.9170.9-67.5173.6000109.4L792 F799 E806 V1250 R1253 M1254 R1257L792-L802 HydrophobicContact CD1-CB 4.35Å; F799-L802 HydrophobicContact CB-CD1 4.03Å; F799-L802 HydrophobicContact CD1-CD1 4.09Å; F799-L802 HydrophobicContact CG-CD1 4.48Å; F799-L802 WeakPolarHBondContact O-CB 3.16Å; F799-L802 PolarHBondContact O-N 2.71Å; L802-E806 WeakPolarHBondContact CA-OE2 3.5Å; L802-E806 WeakPolarHBondContact CD2-OE2 3.44Å; L802-V1250 HydrophobicContact CD1-CB 4.44Å; L802-V1250 HydrophobicContact CD1-CG1 4.04Å; L802-R1253 HydrophobicContact CB-CB 3.88Å; L802-R1253 HydrophobicContact CB-CG 4.48Å; L802-R1253 HydrophobicContact CD1-CB 4.05Å; L802-R1253 HydrophobicContact CD2-CB 4.11Å; L802-R1253 HydrophobicContact CG-CB 4.24Å; L802-R1253 WeakPolarHBondContact O-CD 3.44Å; L802-R1253 PolarHBondContact O-NH1 2.96Å; L802-M1254 HydrophobicContact CD1-CB 4.49Å; L802-M1254 HydrophobicContact CD2-SD 4.04Å; L802-R1257 HydrophobicContact CD2-CB 4.49Å
803E70.1Confident63.9Low93 Ų9389.6 Ų89.644%0.43547%0.469SS..  trans-70.4154.3-177.3-63.6-157.5141.300112.4D801 E805 E806 K947D801-E803 PolarHBondContact O-N 3.41Å; D801-E803 VanDerWaalsContact O-N 3.16Å; E803-E805 PolarHBondContact O-N 3.41Å; E803-E806 PolarHBondContact N-OE2 3.2Å; E803-E806 WeakPolarHBondContact O-CB 3.27Å; E803-E806 PolarHBondContact O-N 2.96Å; E803-K947 VanDerWaalsContact CD-NZ 3.31Å; E803-K947 IonicContact OE1-NZ 3.64Å; E803-K947 PolarHBondContact OE1-NZ 3.07Å; E803-K947 IonicContact OE2-NZ 3.9Å; E803-K947 PolarHBondContact OE2-NZ 3.33Å
804A60.2Low61.4Low64 Ų6487.6 Ų87.653%0.52948%0.476SS..G310 helixtrans-70.9-16.6-178.900000114.1E806 Q807A804-E806 PolarHBondContact O-N 2.94Å; A804-Q807 WeakPolarHBondContact O-CB 3.49Å; A804-Q807 PolarHBondContact O-N 3.46Å
805E52.7Low58.7Low160 Ų16099.7 Ų99.775%0.74852%0.522SS*.G310 helixtrans-71.6-18175.8-64.6-174.2-168.900112.2E803 Q807E803-E805 PolarHBondContact O-N 3.41Å; E805-Q807 PolarHBondContact O-N 3.15Å
806E54.7Low56.2Low35 Ų35100 Ų10016%0.16454%0.536CS..G310 helixtrans-71.215.5172.2-56.6-179.6141.600113L802 E803 A804 A1256 R1257L802-E806 WeakPolarHBondContact CA-OE2 3.5Å; L802-E806 WeakPolarHBondContact CD2-OE2 3.44Å; E803-E806 PolarHBondContact N-OE2 3.2Å; E803-E806 WeakPolarHBondContact O-CB 3.27Å; E803-E806 PolarHBondContact O-N 2.96Å; A804-E806 PolarHBondContact O-N 2.94Å; E806-A1256 HydrophobicContact CB-CB 4.47Å; E806-A1256 WeakPolarHBondContact O-CB 3.38Å; E806-R1257 IonicContact OE1-CZ 2.92Å; E806-R1257 VanDerWaalsContact OE1-CZ 3.23Å; E806-R1257 IonicContact OE1-NE 2.68Å; E806-R1257 PolarHBondContact OE1-NE 3.22Å; E806-R1257 IonicContact OE1-NH2 2.87Å; E806-R1257 PolarHBondContact OE1-NH2 3.37Å; E806-R1257 IonicContact OE2-CZ 2.73Å; E806-R1257 IonicContact OE2-NE 3.8Å; E806-R1257 IonicContact OE2-NH2 2.72Å; E806-R1257 PolarHBondContact OE2-NH2 2.91Å
807Q45.8Very low53.7Low91 Ų91100 Ų10043%0.42554%0.536SS..G310 helixtrans-122.3-3.6-169.9-157.5169.9-18.700114.3A804 E805 D809A804-Q807 WeakPolarHBondContact O-CB 3.49Å; A804-Q807 PolarHBondContact O-N 3.46Å; E805-Q807 PolarHBondContact O-N 3.15Å; Q807-D809 PolarHBondContact O-N 3.48Å
808E40.4Very low51.1Low160 Ų160101.9 Ų101.975%0.74857%0.565SS**  trans-96.966.5179.5-77.9-148.8121.400114.5
809D38.8Very low48.6Very low98 Ų98104.9 Ų104.952%0.52459%0.588SS.*  trans-82.7110.3156.7-68.7-88.9000109.9Q807 R1259Q807-D809 PolarHBondContact O-N 3.48Å; D809-R1259 IonicContact OD1-CZ 3.1Å; D809-R1259 IonicContact OD1-NH1 3.79Å; D809-R1259 PolarHBondContact OD1-NH1 3.06Å; D809-R1259 IonicContact OD1-NH2 2.65Å; D809-R1259 IonicContact OD2-CZ 3.33Å; D809-R1259 VanDerWaalsContact OD2-CZ 3.29Å; D809-R1259 IonicContact OD2-NH1 3.6Å; D809-R1259 PolarHBondContact OD2-NH1 3.36Å; D809-R1259 IonicContact OD2-NH2 2.69Å; D809-R1259 PolarHBondContact OD2-NH2 2.88Å
810G34.9Very low46Very low75 Ų75108.3 Ų108.377%0.77362%0.623SS**SBendtrans146.64.1167.200000119.1
811K30.2Very low43.6Very low169 Ų169113.3 Ų113.374%0.73565%0.646SS**  trans-127.697.2175.6-77.1179.4-178.1163.20113.5S813K811-S813 PolarHBondContact O-N 2.99Å; K811-S813 VanDerWaalsContact O-N 3.12Å
812E29.4Very low42.1Very low174 Ų174115.8 Ų115.881%0.81367%0.666SS**  trans-62.3110.3157.2-74.5-160.9122.700109.2K907E812-K907 IonicContact OE1-NZ 3.81Å
813S28.1Very low40.1Very low109 Ų109121.5 Ų121.576%0.76270%0.703SS**  trans-104.8111.9171.5-172.60000109.8K811K811-S813 PolarHBondContact O-N 2.99Å; K811-S813 VanDerWaalsContact O-N 3.12Å
814P32.3Very low38.7Very low111 Ų111122.7 Ų122.772%0.72172%0.718SS**  trans-71.8133.3-179.428.7-33.5000111.1S816P814-S816 PolarHBondContact O-N 3.45Å; P814-S816 VanDerWaalsContact O-N 3.12Å
815R27.8Very low38.2Very low259 Ų259125.5 Ų125.598%0.97773%0.731SS**  trans-68.9105.8174.4-67.2-179.4-179.6173.50.6110.9
816S31.7Very low37.8Very low106 Ų106123.7 Ų123.774%0.74173%0.733SS**  trans-140.4146.115960.30000111.3P814P814-S816 PolarHBondContact O-N 3.45Å; P814-S816 VanDerWaalsContact O-N 3.12Å
817L32.4Very low37.3Very low166 Ų166127.4 Ų127.487%0.86976%0.761SS**  trans-67.7151.3178.6-57.388.6000110.9P819L817-P819 WeakPolarHBondContact O-CD 3.39Å
818G32.4Very low37.1Very low82 Ų82128.4 Ų128.485%0.84578%0.775SS**  trans-96.1104.416400000111.8
819P36.8Very low37.1Very low120 Ų120131.3 Ų131.378%0.77979%0.785SS**  trans-83.8159.715435.5-32.5000110.3L817L817-P819 WeakPolarHBondContact O-CD 3.39Å
820G35.4Very low37.1Very low72 Ų72130.5 Ų130.574%0.74280%0.8SS**  trans-90.7147-170.300000116.5
821L37.3Very low37Very low175 Ų175131 Ų13192%0.91681%0.806SS**  trans71.9152.2154.3-63.8167.4000119.6
822P50.8Low37.4Very low112 Ų112126.8 Ų126.873%0.72781%0.81SS**  trans-120.7160.9-159.541.7-29000116.3
823P40.1Very low38.1Very low120 Ų120126.5 Ų126.578%0.77981%0.813SS**  trans-106.7170.2156-4.126000114.1
824P41.6Very low39Very low118 Ų118126.7 Ų126.777%0.76681%0.812SS**  trans-96.3166.6-167.737.8-37.1000116.5
825P49.6Very low39.9Very low123 Ų123127 Ų12780%0.79981%0.814SS**  trans-82.9144.3177.134.3-35.9000113.3
826P43.3Very low40.9Very low122 Ų122120 Ų12079%0.79280%0.802SS**  -152.7-158.192.143.8-26000112.1
827P43.3Very low42Very low114 Ų114120.6 Ų120.674%0.7480%0.803SS**  cis-120178.5-27.438.8-24000113.3
828P43.4Very low43Very low112 Ų112118.5 Ų118.573%0.72780%0.8SS**  trans-110.4126.2-179.836.3-26.6000115.2
829F40.4Very low43.9Very low220 Ų220120.1 Ų120.197%0.96580%0.795SS**  trans-163.8151.9164.2-96.1-68000113.3
830G37.3Very low44.4Very low81 Ų81120.8 Ų120.884%0.83580%0.8SS**  trans92.4121.1162.700000115.9
831G33.9Very low44.7Very low87 Ų87121.2 Ų121.290%0.89780%0.804SS**  trans-120.1166.3179.500000114.1
832G38.7Very low44.7Very low79 Ų79117 Ų11781%0.81480%0.803SS**  trans-171.3124.9176.100000113.7
833L43.2Very low44.3Very low169 Ų169115.6 Ų115.689%0.88581%0.808SS**  trans-137.1170.3173.2-74.8172000107.3
834P47.8Very low44.1Very low112 Ų112114.1 Ų114.173%0.72782%0.815SS**  cis-116.2-142.1-1636.6-15.5000109.4
835P50.5Low43.9Very low119 Ų119112.3 Ų112.377%0.77382%0.818SS**  cis-135.3171.445.638.9-19.4000116.6
836P50Low43.4Very low111 Ų111114.5 Ų114.572%0.72182%0.822SS**PPolyproline II helixtrans-103.7160.8-178.139.1-34.8000115.9
837P53.4Low43.6Very low119 Ų119114 Ų11477%0.77382%0.819SS**PPolyproline II helixtrans-85.8167.4172.335-34.7000114.5
838P54.7Low43.9Very low121 Ų121114 Ų11479%0.78682%0.819SS**PPolyproline II helixtrans-98.5164.9-155.737.8-37.6000117.4
839P50.7Low44.1Very low117 Ų117114 Ų11476%0.7682%0.819SS**PPolyproline II helixtrans-87.8163-17836.2-37.3000115
840P47.1Very low44.6Very low134 Ų134109.3 Ų109.387%0.8781%0.81SS**PPolyproline II helixtrans-80.3124.4179.131.9-34.1000113
841G42.1Very low45.8Very low81 Ų81111.2 Ų111.284%0.83581%0.808SS**PPolyproline II helixtrans-93.7135.3172.700000112.6
842G37.4Very low46.5Very low86 Ų86112.5 Ų112.589%0.88780%0.801SS**PPolyproline II helixtrans-89.1152.2173.700000113.3
843G41.9Very low47.1Very low82 Ų82114.7 Ų114.785%0.84580%0.8SS**  trans-153.2121.8171.800000110.3
844G35.4Very low47.4Very low90 Ų90112.6 Ų112.693%0.92880%0.797SS**  trans-90.7151.8-173.900000114.1
845G38.8Very low47.1Very low80 Ų80114.2 Ų114.283%0.82581%0.805SS**  trans-164.2123173.700000112.5
846L38Very low46.5Very low169 Ų169112.9 Ų112.989%0.88580%0.804SS**  trans-108.5178.2170.6-64.9168.4000108.6
847P48.4Very low46Very low110 Ų110115.9 Ų115.971%0.71481%0.813SS**  -116-169.2-50.537.1-22.3000110
848P48.1Very low45.4Very low116 Ų116117 Ų11775%0.75382%0.818SS**  -148.5167.295.235.9-17.3000115.4
849P47.4Very low44.6Very low112 Ų112114.4 Ų114.473%0.72781%0.813SS**PPolyproline II helixtrans-81.9162.8-178.733.7-37000114.5
850P52.4Low44.3Very low120 Ų120113.6 Ų113.678%0.77982%0.816SS**PPolyproline II helixtrans-74.3140.4177.130.5-35.1000113
851P61.5Low44.5Very low121 Ų121112.9 Ų112.979%0.78681%0.811SS**PPolyproline II helixtrans-80.1152.9177.632.1-35000113.4
852P50Low44.7Very low115 Ų115114.8 Ų114.875%0.74781%0.809SS**PPolyproline II helixtrans-83.1163-176.734.4-37000114.1
853P49.9Very low45.1Very low124 Ų124115.9 Ų115.981%0.80580%0.801SS**PPolyproline II helixtrans-84.2133.2-178.732.8-34.3000113.6
854P49.2Very low45.4Very low126 Ų126117.7 Ų117.782%0.81880%0.797SS**PPolyproline II helixtrans-91.4145.6166.834.1-31.1000112.5
855T41.5Very low45.8Very low145 Ų145118.9 Ų118.989%0.8979%0.789SS**PPolyproline II helixtrans-79.4159.9-174.439.10000115.6
856A38.4Very low46Very low92 Ų92120.4 Ų120.476%0.7678%0.784SS**  trans-42.9156.2176.100000117.9
857L40.4Very low46.3Very low174 Ų174116.5 Ų116.591%0.91178%0.776SS**  trans-161.8169.4131.4-106.9166.1000113
858V40Very low46.1Very low143 Ų143117.7 Ų117.787%0.86778%0.784SS**  trans-94.8149.4-159.4171.20000114
859G39Very low45.9Very low66 Ų66115.8 Ų115.868%0.6879%0.786SS**  trans144.699.4142.900000122.1
860A43.4Very low45.4Very low100 Ų100114.9 Ų114.983%0.82679%0.788SS**  trans64.5153.4141.200000123.8
861P51.2Low44.8Very low118 Ų118114.5 Ų114.577%0.76679%0.788SS**  trans-95.9-162.3179.444.7-40.9000112.2
862P46.4Very low43.7Very low122 Ų122117 Ų11779%0.79279%0.789SS**  cis-131-99.210.724.64.4000122.3
863P46.8Very low42.9Very low109 Ų109115.9 Ų115.971%0.70878%0.784SS**  -118163.8-128.937.4-20.2000119.2
864P47.5Very low42.3Very low119 Ų119115 Ų11577%0.77378%0.78SS**  trans-101.6-157.9-177.345.5-40.2000112.9
865P43.6Very low41.7Very low116 Ų116112.8 Ų112.875%0.75377%0.773SS**  cis-133.4-105.3627.42.8000120.6
866P43.4Very low41.4Very low111 Ų111113.3 Ų113.372%0.72177%0.769SS**  -142.4179.8-126.746.9-26.6000121.4
867A43.8Very low41.3Very low88 Ų88114.8 Ų114.873%0.72777%0.77SS**  trans75.9172.1146.500000120.9
868P44.1Very low40.9Very low135 Ų135111.7 Ų111.788%0.87776%0.763SS**  -141.6-178.9-58.542.2-26.7000116.2
869G43.3Very low40.4Very low76 Ų76111.8 Ų111.878%0.78476%0.759SS**  trans142.3161.9159.100000116.1
870A38.2Very low40Very low93 Ų93116.6 Ų116.677%0.76977%0.768SS**  cis-170.4168.2-15.100000111.8
871S39.6Very low39.4Very low112 Ų112117.5 Ų117.578%0.78377%0.765SS**  trans65.4158.4168.675.30000117.7
872E37.3Very low38.5Very low173 Ų173117.4 Ų117.481%0.80877%0.765SS**  cis-169.7163.3-26.3-104-151.8-121.100105.9
873S35Very low38Very low91 Ų91116 Ų11664%0.63676%0.763SS**  cis-162.4-158.3-20.252.40000105.9
874S36Very low37.1Very low105 Ų105116.6 Ų116.673%0.73477%0.768SS**  cis-160.9176.98.5-149.20000111
875A36.6Very low36.6Very low80 Ų80114 Ų11466%0.66176%0.762SS**  trans67.4146.4179.700000114.6
876I34.6Very low35.9Very low157 Ų157114.3 Ų114.381%0.80576%0.762SS**  cis78.2133.316.3-46.8168.2000112.9
877P38.2Very low35.4Very low122 Ų122117.4 Ų117.479%0.79277%0.767SS**  cis-84.6-160.3-6.440.8-38.9000110.7
878S30.1Very low34.7Very low110 Ų110121.5 Ų121.577%0.76978%0.775SS**  cis-145.1-123.18.867.90000114
879N30.1Very low34.1Very low145 Ų145120.9 Ų120.978%0.77577%0.771SS**  trans-104.3126.8-169-79.6-19.1000113.3
880L31Very low33.6Very low167 Ų167127.2 Ų127.287%0.87478%0.778SS**SBendtrans78.2151157.6-62.9165.2000117.9
881P31.3Very low33.1Very low118 Ų118127.8 Ų127.877%0.76678%0.776SS**  trans-99.9169.1-145.438.3-37.6000116.5
882P32.2Very low32.6Very low116 Ų116131.9 Ų131.975%0.75378%0.78SS**  trans-120.9157.3-163.741.6-29.7000117.3
883A34.7Very low32.6Very low92 Ų92133.7 Ų133.776%0.7679%0.785SS**  trans61.1-172.8141.100000119
884P29.4Very low32.4Very low123 Ų123133 Ų13380%0.79978%0.777SS**  cis-123.3-172.7-48.824.7-4.5000112.7
885G35.9Very low32.7Very low63 Ų63130.8 Ų130.865%0.64976%0.756SS**  trans-101-142.6161.300000113.4
886T30Very low32.9Very low124 Ų124136.6 Ų136.676%0.76176%0.761SS**  trans72.5108.7173.640.20000120.2
887E32Very low33.4Very low176 Ų176131 Ų13182%0.82273%0.732SS**  trans71.7125.5131.9-63.7-178.7-136.700123.3
888L29Very low33.7Very low173 Ų173133.5 Ų133.591%0.90673%0.733SS**  trans-155.9167.5143.7-119.389.1000107.7
889P31.4Very low34.4Very low122 Ų122134 Ų13479%0.79272%0.718SS**  trans-112.1173.1-142.110.714.1000117
890K32.4Very low35.4Very low210 Ų210131.8 Ų131.891%0.91371%0.71SS**  trans-77.6133.7-173.4-52.4163.5-174.8169.20113.6
891S29Very low36Very low104 Ų104130.7 Ų130.773%0.72770%0.7SS**  trans-160143.7146.792.80000113.8
892K29.2Very low37Very low199 Ų199130.5 Ų130.587%0.86569%0.685SS**SBendtrans76.3173.1167-61.2179.1-178.3177.50116.9
893K35.8Very low37.9Very low210 Ų210131.6 Ų131.691%0.91368%0.677SS**  trans-112.2143.3-150.5-67.9-175.7178.3-176.70112
894T30.8Very low38.8Very low78 Ų78129.5 Ų129.548%0.47966%0.656SS.*  trans-163.5122.4-149.1-86.40000106.8R896 E973T894-R896 VanDerWaalsContact C-N 3.31Å; T894-R896 PolarHBondContact O-N 2.94Å; T894-E973 WeakPolarHBondContact CA-OE1 3.16Å; T894-E973 WeakPolarHBondContact CA-OE2 3.43Å; T894-E973 WeakPolarHBondContact CB-OE1 3.48Å; T894-E973 WeakPolarHBondContact CB-OE2 3.41Å; T894-E973 VanDerWaalsContact CG2-CD 3.45Å; T894-E973 WeakPolarHBondContact CG2-OE1 3.33Å; T894-E973 VanDerWaalsContact CG2-OE2 3.26Å; T894-E973 WeakPolarHBondContact CG2-OE2 3.43Å; T894-E973 PolarHBondContact OG1-OE2 2.9Å
895I44.2Very low40.4Very low58 Ų58127 Ų12730%0.29764%0.639SS.*  trans-66.392.1178.7-65.6-174.5000108.7L897 E973 F976I895-L897 PolarHBondContact O-N 2.8Å; I895-E973 HydrophobicContact CB-CB 4.04Å; I895-E973 HydrophobicContact CB-CG 4.08Å; I895-E973 VanDerWaalsContact CD1-O 3.23Å; I895-E973 WeakPolarHBondContact CD1-O 3.27Å; I895-E973 HydrophobicContact CG1-CB 4.05Å; I895-E973 WeakPolarHBondContact CG1-O 3.21Å; I895-E973 PolarHBondContact N-OE1 2.79Å; I895-F976 HydrophobicContact CD1-CB 4.22Å
896R40.1Very low41.7Very low202 Ų202127.9 Ų127.976%0.76264%0.64SS**  trans-60.6104.2-178.7-170.2177.6-166152.33.2110.5T894 H898T894-R896 VanDerWaalsContact C-N 3.31Å; T894-R896 PolarHBondContact O-N 2.94Å; R896-H898 PolarHBondContact O-CD2 3.2Å; R896-H898 VanDerWaalsContact O-CD2 3.28Å; R896-H898 PolarHBondContact O-N 3.18Å
897L45.5Very low43.1Very low39 Ų39128.6 Ų128.620%0.20463%0.632CS.*  trans-55.1112.2173.6-59.6-174.3000110.2I895 W899 L972I895-L897 PolarHBondContact O-N 2.8Å; L897-W899 HydrophobicContact CB-CD2 4.34Å; L897-W899 HydrophobicContact CB-CZ2 3.85Å; L897-W899 HydrophobicContact CD1-CH2 3.72Å; L897-W899 HydrophobicContact CD1-CZ2 3.49Å; L897-W899 VanDerWaalsContact CD1-CZ2 3.49Å; L897-W899 HydrophobicContact CG-CZ2 4.32Å; L897-W899 PolarHBondContact O-N 3.02Å; L897-W899 PolarHBondContact O-NE1 3.37Å; L897-L972 HydrophobicContact CD1-CD1 3.9Å; L897-L972 HydrophobicContact CD2-CD1 4.47Å
898H44.5Very low44.3Very low174 Ų174122.7 Ų122.781%0.80661%0.606SS**  trans-83.655.9-170.3-108.3-100.8000112.8R896R896-H898 PolarHBondContact O-CD2 3.2Å; R896-H898 VanDerWaalsContact O-CD2 3.28Å; R896-H898 PolarHBondContact O-N 3.18Å
899W43.5Very low45.6Very low122 Ų122119.2 Ų119.246%0.46259%0.588SS.*  trans-82.2137.9166.32741.1000112.2L897 E901 Y1147 R1150L897-W899 HydrophobicContact CB-CD2 4.34Å; L897-W899 HydrophobicContact CB-CZ2 3.85Å; L897-W899 HydrophobicContact CD1-CH2 3.72Å; L897-W899 HydrophobicContact CD1-CZ2 3.49Å; L897-W899 VanDerWaalsContact CD1-CZ2 3.49Å; L897-W899 HydrophobicContact CG-CZ2 4.32Å; L897-W899 PolarHBondContact O-N 3.02Å; L897-W899 PolarHBondContact O-NE1 3.37Å; W899-E901 PolarHBondContact O-N 2.87Å; W899-Y1147 AromaticContact CH2-CD2 3.7Å; W899-Y1147 HydrophobicContact CH2-CD2 3.7Å; W899-Y1147 AromaticContact CH2-CE2 3.6Å; W899-Y1147 HydrophobicContact CH2-CE2 3.6Å; W899-Y1147 HydrophobicContact CH2-CG 4.49Å; W899-Y1147 AromaticContact CZ3-CD2 3.35Å; W899-Y1147 HydrophobicContact CZ3-CD2 3.35Å; W899-Y1147 AromaticContact CZ3-CE2 3.78Å; W899-Y1147 HydrophobicContact CZ3-CE2 3.78Å; W899-Y1147 AromaticContact CZ3-CG 3.84Å; W899-Y1147 HydrophobicContact CZ3-CG 3.84Å; W899-R1150 VanDerWaalsContact CE3-NH1 3.31Å
900T51.8Low47.1Very low98 Ų98120.7 Ų120.760%0.60158%0.582SS**  trans-70.4113.6165.752.20000109.8W902T900-W902 PolarHBondContact O-N 2.7Å
901E43.7Very low48.2Very low143 Ų143115.3 Ų115.367%0.66856%0.561SS**  trans-53.3117.7170-176.6-174.5-177.500110.3W899 K903W899-E901 PolarHBondContact O-N 2.87Å; E901-K903 HydrophobicContact CG-CG 4.24Å; E901-K903 PolarHBondContact O-N 3.25Å; E901-K903 WeakPolarHBondContact OE1-CE 3.14Å; E901-K903 WeakPolarHBondContact OE2-CE 3.5Å; E901-K903 IonicContact OE2-NZ 3.77Å; E901-K903 PolarHBondContact OE2-NZ 2.91Å
902W52.5Low49.3Very low115 Ų115112.9 Ų112.944%0.43654%0.54SS..  trans-7199.9174.6-178.781.3000109.5T900 P904 D908T900-W902 PolarHBondContact O-N 2.7Å; W902-P904 HydrophobicContact CE3-CB 4.43Å; W902-P904 HydrophobicContact CH2-CB 3.61Å; W902-P904 HydrophobicContact CH2-CG 4.47Å; W902-P904 HydrophobicContact CZ2-CB 4.16Å; W902-P904 HydrophobicContact CZ3-CB 3.75Å; W902-P904 HydrophobicContact CZ3-CG 4.12Å; W902-P904 WeakPolarHBondContact O-CD 3.25Å; W902-D908 HydrophobicContact CZ2-CB 4.46Å
903K51.4Low50.3Low138 Ų138106.5 Ų106.560%0.652%0.524SS*.  trans-88.5114172.5-66.8-175-179.8177.70108.5E901 T905E901-K903 HydrophobicContact CG-CG 4.24Å; E901-K903 PolarHBondContact O-N 3.25Å; E901-K903 WeakPolarHBondContact OE1-CE 3.14Å; E901-K903 WeakPolarHBondContact OE2-CE 3.5Å; E901-K903 IonicContact OE2-NZ 3.77Å; E901-K903 PolarHBondContact OE2-NZ 2.91Å; K903-T905 PolarHBondContact O-N 3.17Å
904P52Low51Low49 Ų49101.2 Ų101.232%0.31851%0.513SS..  trans-60.5126174.125.5-33.5000108.9W902 D908 L909W902-P904 HydrophobicContact CE3-CB 4.43Å; W902-P904 HydrophobicContact CH2-CB 3.61Å; W902-P904 HydrophobicContact CH2-CG 4.47Å; W902-P904 HydrophobicContact CZ2-CB 4.16Å; W902-P904 HydrophobicContact CZ3-CB 3.75Å; W902-P904 HydrophobicContact CZ3-CG 4.12Å; W902-P904 WeakPolarHBondContact O-CD 3.25Å; P904-D908 HydrophobicContact CB-CB 4.09Å; P904-L909 HydrophobicContact CB-CG 4.15Å; P904-L909 HydrophobicContact CG-CD2 4.38Å; P904-L909 HydrophobicContact CG-CG 4.3Å
905T64.7Low51.6Low70 Ų70102.7 Ų102.743%0.42952%0.523SS..  trans-68.3167176.170.40000110.5K903 K907 D908 L909K903-T905 PolarHBondContact O-N 3.17Å; T905-K907 PolarHBondContact O-N 2.81Å; T905-K907 PolarHBondContact OG1-N 2.68Å; T905-D908 WeakPolarHBondContact CA-OD2 3.26Å; T905-D908 VanDerWaalsContact CB-OD2 3.27Å; T905-D908 WeakPolarHBondContact CB-OD2 3.38Å; T905-D908 WeakPolarHBondContact CG2-OD2 3.43Å; T905-D908 PolarHBondContact N-OD2 3.22Å; T905-D908 PolarHBondContact O-N 3.02Å; T905-D908 PolarHBondContact OG1-N 3.22Å; T905-D908 VanDerWaalsContact OG1-N 3.17Å; T905-D908 PolarHBondContact OG1-OD2 3.26Å; T905-L909 PolarHBondContact O-N 3.45Å
906A62.2Low51.2Low81 Ų81108.7 Ų108.767%0.66955%0.546SS*.Hα-helixtrans-62-19.4170.900000113.2K910A906-K910 WeakPolarHBondContact O-CB 3.45Å; A906-K910 PolarHBondContact O-N 3.37Å
907K59.8Low50.9Low140 Ų140104.3 Ų104.361%0.60955%0.547SS*.Hα-helixtrans-73.6-46.5169.7-66-179.2178.9177.90110E812 T905 K910 M911E812-K907 IonicContact OE1-NZ 3.81Å; T905-K907 PolarHBondContact O-N 2.81Å; T905-K907 PolarHBondContact OG1-N 2.68Å; K907-K910 WeakPolarHBondContact O-CB 3.26Å; K907-K910 PolarHBondContact O-N 3.08Å; K907-K910 VanDerWaalsContact O-N 3.17Å; K907-M911 VanDerWaalsContact O-CG 3.24Å; K907-M911 WeakPolarHBondContact O-CG 3.46Å; K907-M911 PolarHBondContact O-N 2.78Å
908D56.2Low50.2Low51 Ų51108.4 Ų108.427%0.27358%0.579SS.*Hα-helixtrans-66.2-43.8-179.6-49.5-44.2000112W902 P904 T905 K910 M911 I912W902-D908 HydrophobicContact CZ2-CB 4.46Å; P904-D908 HydrophobicContact CB-CB 4.09Å; T905-D908 WeakPolarHBondContact CA-OD2 3.26Å; T905-D908 VanDerWaalsContact CB-OD2 3.27Å; T905-D908 WeakPolarHBondContact CB-OD2 3.38Å; T905-D908 WeakPolarHBondContact CG2-OD2 3.43Å; T905-D908 PolarHBondContact N-OD2 3.22Å; T905-D908 PolarHBondContact O-N 3.02Å; T905-D908 PolarHBondContact OG1-N 3.22Å; T905-D908 VanDerWaalsContact OG1-N 3.17Å; T905-D908 PolarHBondContact OG1-OD2 3.26Å; D908-K910 VanDerWaalsContact C-N 3.26Å; D908-K910 PolarHBondContact O-N 2.97Å; D908-M911 PolarHBondContact O-N 3.47Å; D908-I912 WeakPolarHBondContact O-CB 3.22Å; D908-I912 VanDerWaalsContact O-CG1 3.25Å; D908-I912 WeakPolarHBondContact O-CG1 3.32Å; D908-I912 PolarHBondContact O-N 2.71Å
909L57.3Low49.7Very low100 Ų100105.8 Ų105.852%0.52458%0.58SS.*Hα-helixtrans-59.6-36.4172.9-77163.2000112P904 T905 A913P904-L909 HydrophobicContact CB-CG 4.15Å; P904-L909 HydrophobicContact CG-CD2 4.38Å; P904-L909 HydrophobicContact CG-CG 4.3Å; T905-L909 PolarHBondContact O-N 3.45Å; L909-A913 VanDerWaalsContact O-CB 3.24Å; L909-A913 WeakPolarHBondContact O-CB 3.29Å; L909-A913 PolarHBondContact O-N 2.93Å
910K61.8Low49.2Very low153 Ų153105.1 Ų105.167%0.66559%0.594SS**Hα-helixtrans-68-47.7171.9-92.1-175.2172.3-179.20112.1A906 K907 D908 I912 A913 S914A906-K910 WeakPolarHBondContact O-CB 3.45Å; A906-K910 PolarHBondContact O-N 3.37Å; K907-K910 WeakPolarHBondContact O-CB 3.26Å; K907-K910 PolarHBondContact O-N 3.08Å; K907-K910 VanDerWaalsContact O-N 3.17Å; D908-K910 VanDerWaalsContact C-N 3.26Å; D908-K910 PolarHBondContact O-N 2.97Å; K910-I912 VanDerWaalsContact C-N 3.31Å; K910-I912 PolarHBondContact O-N 3.28Å; K910-A913 PolarHBondContact O-N 3.36Å; K910-A913 VanDerWaalsContact O-N 3.11Å; K910-S914 VanDerWaalsContact O-CB 3.32Å; K910-S914 WeakPolarHBondContact O-CB 3.43Å; K910-S914 PolarHBondContact O-N 3.49Å; K910-S914 PolarHBondContact O-OG 2.89Å; K910-S914 VanDerWaalsContact O-OG 3.11Å
911M56.9Low48.3Very low97 Ų97106.7 Ų106.748%0.47860%0.603SS.*Hα-helixtrans-56.2-47177.7-65.2-92.1-78.700110.9K907 D908 A913 S914 T915 N955K907-M911 VanDerWaalsContact O-CG 3.24Å; K907-M911 WeakPolarHBondContact O-CG 3.46Å; K907-M911 PolarHBondContact O-N 2.78Å; D908-M911 PolarHBondContact O-N 3.47Å; M911-A913 VanDerWaalsContact C-N 3.32Å; M911-A913 PolarHBondContact O-N 2.95Å; M911-S914 PolarHBondContact O-N 3.09Å; M911-T915 PolarHBondContact O-N 2.88Å; M911-N955 WeakPolarHBondContact CE-OD1 2.94Å
912I51.3Low47.9Very low54 Ų54105.8 Ų105.828%0.27760%0.603SS.*Hα-helixtrans-66.7-29.1177.9-69167.3000112.8D908 K910 T915 R1141D908-I912 WeakPolarHBondContact O-CB 3.22Å; D908-I912 VanDerWaalsContact O-CG1 3.25Å; D908-I912 WeakPolarHBondContact O-CG1 3.32Å; D908-I912 PolarHBondContact O-N 2.71Å; K910-I912 VanDerWaalsContact C-N 3.31Å; K910-I912 PolarHBondContact O-N 3.28Å; I912-T915 PolarHBondContact O-OG1 3.49Å; I912-R1141 VanDerWaalsContact CG2-NH2 3.34Å
913A51Low47Very low64 Ų64108 Ų10853%0.52962%0.616SS.*Hα-helixtrans-82-32.2174.400000112.8L909 K910 M911 T915L909-A913 VanDerWaalsContact O-CB 3.24Å; L909-A913 WeakPolarHBondContact O-CB 3.29Å; L909-A913 PolarHBondContact O-N 2.93Å; K910-A913 PolarHBondContact O-N 3.36Å; K910-A913 VanDerWaalsContact O-N 3.11Å; M911-A913 VanDerWaalsContact C-N 3.32Å; M911-A913 PolarHBondContact O-N 2.95Å; A913-T915 VanDerWaalsContact C-N 3.35Å
914S50.4Low46.2Very low99 Ų99107.2 Ų107.269%0.69263%0.625SS**Hα-helixtrans-78.6-11.2-177.7-69.40000114.5K910 M911 K916K910-S914 VanDerWaalsContact O-CB 3.32Å; K910-S914 WeakPolarHBondContact O-CB 3.43Å; K910-S914 PolarHBondContact O-N 3.49Å; K910-S914 PolarHBondContact O-OG 2.89Å; K910-S914 VanDerWaalsContact O-OG 3.11Å; M911-S914 PolarHBondContact O-N 3.09Å; S914-K916 VanDerWaalsContact C-N 3.32Å
915T42.3Very low45.4Very low110 Ų110112.3 Ų112.368%0.67565%0.649SS**THydrogen-bonded Turntrans-84.30.4173.249.30000114.1M911 I912 A913 S917M911-T915 PolarHBondContact O-N 2.88Å; I912-T915 PolarHBondContact O-OG1 3.49Å; A913-T915 VanDerWaalsContact C-N 3.35Å; T915-S917 PolarHBondContact O-N 3.34Å; T915-S917 VanDerWaalsContact O-N 3.12Å
916K35.8Very low43.8Very low183 Ų183118.4 Ų118.480%0.79667%0.67SS**SBendtrans-74.2100.5168.3-75.9-168.6173.5-174.60110.4S914S914-K916 VanDerWaalsContact C-N 3.32Å
917S35.1Very low42.3Very low111 Ų111119.4 Ų119.478%0.77668%0.678SS**  trans-57.5133175.948.50000112.2T915T915-S917 PolarHBondContact O-N 3.34Å; T915-S917 VanDerWaalsContact O-N 3.12Å
918S30.3Very low41Very low124 Ų124119.7 Ų119.787%0.86769%0.691SS**  trans-81.9113.5174.454.90000111.3
919S33.3Very low39.6Very low119 Ų119120.6 Ų120.683%0.83271%0.713SS**  trans-144.2142.6158.156.60000109.7
920S34.1Very low38.3Very low108 Ų108124.3 Ų124.376%0.75573%0.732SS**  trans-98.2141.1-167.1540000114
921V33.1Very low36.7Very low132 Ų132120.3 Ų120.380%0.873%0.733SS**  trans32.8107.5136.3-171.90000117.1
922D34.2Very low35.4Very low123 Ų123120.5 Ų120.566%0.65874%0.744SS**  -163.7174.296-141.6-30.2000111.8
923K33.9Very low34.7Very low163 Ų163129.8 Ų129.871%0.70978%0.776SS**  trans-26.4149.3-169.1-68.5132.3-167.5132.10121.7
924P34.7Very low33.6Very low121 Ų121135 Ų13579%0.78679%0.787SS**  trans-88.8155.5164.237.9-33.4000112.8
925D35.2Very low32.8Very low156 Ų156135.7 Ų135.783%0.83479%0.787SS**  trans-152.2168.6148.4-136.9-32.6000112.6
926K31.4Very low32.1Very low198 Ų198136.3 Ų136.386%0.86180%0.796SS**  trans-92.8132.6-164.4-55.9162.5-173.2164.80113.3
927A30.8Very low32Very low102 Ų102132.7 Ų132.784%0.84380%0.8SS**  trans-151.8144.2154.100000112.8
928T30.9Very low32Very low145 Ų145136 Ų13689%0.8981%0.808SS**  trans-73.2154.1176.947.60000113.9
929G27.9Very low31.9Very low70 Ų70134.7 Ų134.772%0.72280%0.799SS**  trans119.8119.1136.100000118.2
930I30.8Very low31.7Very low179 Ų179135.5 Ų135.592%0.91879%0.794SS**  trans18.1123.9134.3-53.4168.7000117.4
931G27.5Very low31.5Very low68 Ų68137.9 Ų137.970%0.70180%0.799SS**  trans116.9135.7132.300000118.3
932S29.5Very low31.2Very low102 Ų102136.6 Ų136.671%0.71378%0.782SS**  trans43.7121.3154.1-162.70000120.1
933R36.1Very low30.9Very low248 Ų248136.4 Ų136.494%0.93679%0.785SS**  trans-143.3108.9131.1-139.5169.3-67-172.22.1112.2
934F28.6Very low30.5Very low173 Ų173137.8 Ų137.876%0.75979%0.791SS**  trans-69.1154.3176.4-121.7-122.9000112
935T34.2Very low30.2Very low115 Ų115138.7 Ų138.771%0.70679%0.785SS**  trans33.6120.8148.3570000120.7
936S26.6Very low30.1Very low122 Ų122138.2 Ų138.285%0.85379%0.788SS**  170.7120.6116.556.60000112.9
937A34.7Very low30.2Very low108 Ų108136.5 Ų136.589%0.89378%0.78SS**  trans175.865.9154.200000112.2
938L34Very low30Very low180 Ų180138.9 Ų138.994%0.94277%0.768SS**  trans-104.5109.4173.4-168.185.9000110
939S29Very low30.5Very low96 Ų96137 Ų13767%0.67175%0.752SS**  trans-172.2129.4158.8-162.70000113.7
940N27.5Very low31.2Very low136 Ų136139.7 Ų139.773%0.72775%0.754SS**  trans36.8115.2149.2-56.6-20.6000118.9
941N29.9Very low31.8Very low159 Ų159139.7 Ų139.785%0.8575%0.747SS**  -161.2142.280.7-100.3-49.2000117
942K27.1Very low32.6Very low105 Ų105140.5 Ų140.546%0.45774%0.739SS.*  trans-46.2140.9176.9-119158.9-179.9161.10116.7H411 N412H411-K942 PolarHBondContact CD2-NZ 2.77Å; H411-K942 VanDerWaalsContact CD2-NZ 3.32Å; H411-K942 PolarHBondContact CE1-NZ 3.27Å; H411-K942 PolarHBondContact ND1-NZ 3.21Å; H411-K942 VanDerWaalsContact ND1-NZ 3.15Å; H411-K942 PolarHBondContact NE2-NZ 3.43Å; N412-K942 WeakPolarHBondContact OD1-CE 3.29Å; N412-K942 PolarHBondContact OD1-NZ 2.88Å
943T27.9Very low33.5Very low118 Ų118138.8 Ų138.872%0.72472%0.721SS**SBendtrans53.475146.953.70000118.1
944K27.1Very low34.2Very low192 Ų192130.6 Ų130.684%0.83571%0.706SS**  trans-177.253.6154.7-107.2161.2-175.7176.70114.1R948K944-R948 PolarHBondContact O-NH1 3.02Å
945E28.2Very low35.3Very low141 Ų141127.9 Ų127.966%0.65970%0.7SS**  trans-144.950.1-167.4-150.7119.3-115.400116.3R948E945-R948 WeakPolarHBondContact OE1-CD 3.03Å; E945-R948 IonicContact OE1-CZ 3.6Å; E945-R948 IonicContact OE1-NE 2.77Å; E945-R948 IonicContact OE1-NH1 3.03Å; E945-R948 PolarHBondContact OE1-NH1 3.15Å
946V32.8Very low36.1Very low146 Ų146124.6 Ų124.689%0.88568%0.684SS**SBendtrans-124.416.8160.7-162.60000110.9
947K32.9Very low37.5Very low162 Ų162121 Ų12170%0.70466%0.657SS**SBendtrans-121.731.8175.6-83.5-169.5173.8-82.40112.4E803E803-K947 VanDerWaalsContact CD-NZ 3.31Å; E803-K947 IonicContact OE1-NZ 3.64Å; E803-K947 PolarHBondContact OE1-NZ 3.07Å; E803-K947 IonicContact OE2-NZ 3.9Å; E803-K947 PolarHBondContact OE2-NZ 3.33Å
948R27.1Very low38.7Very low152 Ų152116.2 Ų116.257%0.57462%0.616SS**SBendtrans-123.3163.2167.5-64-171.3-178.879.87.4108.9K944 E945 V950K944-R948 PolarHBondContact O-NH1 3.02Å; E945-R948 WeakPolarHBondContact OE1-CD 3.03Å; E945-R948 IonicContact OE1-CZ 3.6Å; E945-R948 IonicContact OE1-NE 2.77Å; E945-R948 IonicContact OE1-NH1 3.03Å; E945-R948 PolarHBondContact OE1-NH1 3.15Å; R948-V950 PolarHBondContact O-N 3.24Å
949D40.5Very low39.8Very low105 Ų105108.1 Ų108.156%0.56157%0.573SS**SBendtrans71.3-15.4176.2-56.3-47.6000121.6K951 T952 I953D949-K951 PolarHBondContact O-N 3.01Å; D949-T952 WeakPolarHBondContact CA-OG1 3.21Å; D949-T952 WeakPolarHBondContact O-CB 3.36Å; D949-T952 PolarHBondContact O-N 2.81Å; D949-T952 WeakPolarHBondContact OD1-CB 3.48Å; D949-T952 PolarHBondContact OD1-OG1 3.45Å; D949-I953 PolarHBondContact O-N 2.76Å
950V42.5Very low41.3Very low126 Ų126106.8 Ų106.876%0.76456%0.564SS**Hα-helixtrans-60.5-31.8159.9-179.80000110.9R948 T952R948-V950 PolarHBondContact O-N 3.24Å; V950-T952 VanDerWaalsContact C-N 3.32Å
951K44.3Very low42.8Very low180 Ų180105.3 Ų105.378%0.78355%0.553SS**Hα-helixtrans-79.6-7.3173-81.9177.8174.8166.70114.7D949D949-K951 PolarHBondContact O-N 3.01Å
952T45.1Very low44.3Very low84 Ų8498.6 Ų98.652%0.51552%0.517SS..Hα-helixtrans-90-32.4178.7-550000110.9D949 V950 A954D949-T952 WeakPolarHBondContact CA-OG1 3.21Å; D949-T952 WeakPolarHBondContact O-CB 3.36Å; D949-T952 PolarHBondContact O-N 2.81Å; D949-T952 WeakPolarHBondContact OD1-CB 3.48Å; D949-T952 PolarHBondContact OD1-OG1 3.45Å; V950-T952 VanDerWaalsContact C-N 3.32Å; T952-A954 VanDerWaalsContact C-N 3.25Å; T952-A954 PolarHBondContact O-N 3.35Å
953I47.9Very low45.6Very low66 Ų6697.7 Ų97.734%0.33852%0.52SS..Hα-helixtrans-57.5-33.1173.3-75.9167.9000113D949 N955 A956 Y1264D949-I953 PolarHBondContact O-N 2.76Å; I953-N955 PolarHBondContact O-N 2.75Å; I953-A956 PolarHBondContact O-N 3.3Å; I953-Y1264 HydrophobicContact CB-CD2 4.48Å; I953-Y1264 HydrophobicContact CD1-CD2 4.48Å; I953-Y1264 HydrophobicContact CD1-CE2 4.47Å; I953-Y1264 HydrophobicContact CG1-CD2 4.21Å; I953-Y1264 HydrophobicContact CG1-CE2 4.24Å; I953-Y1264 HydrophobicContact CG2-CD2 3.61Å; I953-Y1264 HydrophobicContact CG2-CE2 4.45Å; I953-Y1264 HydrophobicContact CG2-CG 3.99Å
954A51.2Low46.9Very low76 Ų7693.9 Ų93.963%0.62850%0.497SS*.THydrogen-bonded Turntrans-59.8-6-174.700000116.5T952T952-A954 VanDerWaalsContact C-N 3.25Å; T952-A954 PolarHBondContact O-N 3.35Å
955N51.2Low47.9Very low117 Ų11784.8 Ų84.863%0.62646%0.458SS*.THydrogen-bonded Turntrans-124.50.3178.2-57.3-72.6000113.8M911 I953M911-N955 WeakPolarHBondContact CE-OD1 2.94Å; I953-N955 PolarHBondContact O-N 2.75Å
956A50.4Low49.3Very low45 Ų4583.6 Ų83.637%0.37245%0.45SS..  trans-124.8119.3-175.200000110.1I953I953-A956 PolarHBondContact O-N 3.3Å
957T55.3Low50.5Low47 Ų4778.6 Ų78.629%0.28842%0.418SS..  trans-91.7152.4169.946.20000109.1W959 S960T957-W959 PolarHBondContact O-N 2.91Å; T957-S960 VanDerWaalsContact O-CB 3.26Å; T957-S960 WeakPolarHBondContact O-CB 2.75Å; T957-S960 PolarHBondContact O-N 3.31Å; T957-S960 PolarHBondContact O-OG 2.86Å
958V59.7Low51.4Low7 Ų774 Ų744%0.04240%0.402CS..G310 helixtrans-55.9-27.8175.879.80000112.1S960 E961 I962 L1125 Y1264V958-S960 PolarHBondContact O-N 2.81Å; V958-E961 PolarHBondContact O-N 3.28Å; V958-I962 HydrophobicContact CG1-CD1 4.26Å; V958-I962 HydrophobicContact CG2-CD1 4.12Å; V958-I962 WeakPolarHBondContact O-CD1 3.42Å; V958-I962 VanDerWaalsContact O-CG1 3.32Å; V958-I962 WeakPolarHBondContact O-CG1 3.25Å; V958-L1125 HydrophobicContact CG2-CD1 3.94Å; V958-Y1264 PolarHBondContact N-O 3.13Å
959W58.8Low52.6Low10 Ų1069.9 Ų69.94%0.03840%0.395CS..G310 helixtrans-50.8-14.8166.6-49.7154000114.9T957 E961 I962 R1141 G1142 F1143 T1144 L1145 L1265 G1266T957-W959 PolarHBondContact O-N 2.91Å; W959-E961 PolarHBondContact O-N 3.1Å; W959-I962 HydrophobicContact CE3-CD1 4.05Å; W959-I962 HydrophobicContact CZ3-CD1 4.35Å; W959-R1141 CarbonylContact C-O 3.59Å; W959-R1141 WeakPolarHBondContact CA-O 3.31Å; W959-R1141 VanDerWaalsContact CB-C 3.48Å; W959-R1141 HydrophobicContact CB-CB 3.73Å; W959-R1141 CarbonylContact O-C 3.57Å; W959-R1141 WeakPolarHBondContact O-CA 3.15Å; W959-R1141 WeakPolarHBondContact O-CB 3.4Å; W959-G1142 VanDerWaalsContact CE3-CA 3.44Å; W959-F1143 VanDerWaalsContact CE3-N 3.35Å; W959-F1143 VanDerWaalsContact CH2-C 3.45Å; W959-F1143 WeakPolarHBondContact CH2-O 3.47Å; W959-F1143 HydrophobicContact CZ3-CD1 4.4Å; W959-F1143 WeakPolarHBondContact CZ3-O 3.25Å; W959-T1144 HydrophobicContact CZ2-CG2 4.15Å; W959-L1145 HydrophobicContact CH2-CG 4.45Å; W959-L1265 VanDerWaalsContact CH2-O 3.26Å; W959-L1265 WeakPolarHBondContact CH2-O 3.49Å; W959-L1265 WeakPolarHBondContact CZ2-O 3.43Å; W959-G1266 PolarHBondContact NE1-O 2.82Å
960S59.6Low53.2Low68 Ų6870.3 Ų70.348%0.47640%0.397SS..G310 helixtrans-73.2-14.4179.3-47.60000113.2T957 V958T957-S960 VanDerWaalsContact O-CB 3.26Å; T957-S960 WeakPolarHBondContact O-CB 2.75Å; T957-S960 PolarHBondContact O-N 3.31Å; T957-S960 PolarHBondContact O-OG 2.86Å; V958-S960 PolarHBondContact O-N 2.81Å
961E59.4Low53.7Low106 Ų10668.2 Ų68.250%0.49538%0.378SS..G310 helixtrans-126.724.6-158.7-51.8-172.4155.800113.9V958 W959 S1126V958-E961 PolarHBondContact O-N 3.28Å; W959-E961 PolarHBondContact O-N 3.1Å; E961-S1126 WeakPolarHBondContact O-CB 3Å; E961-S1126 PolarHBondContact O-OG 2.94Å
962I61.1Low54Low17 Ų1760.2 Ų60.29%0.08734%0.344CS..  trans-130.7123-151-76.9-169.4000108.1V958 W959 L1125 L1129 R1141 F1143V958-I962 HydrophobicContact CG1-CD1 4.26Å; V958-I962 HydrophobicContact CG2-CD1 4.12Å; V958-I962 WeakPolarHBondContact O-CD1 3.42Å; V958-I962 VanDerWaalsContact O-CG1 3.32Å; V958-I962 WeakPolarHBondContact O-CG1 3.25Å; W959-I962 HydrophobicContact CE3-CD1 4.05Å; W959-I962 HydrophobicContact CZ3-CD1 4.35Å; I962-L1125 HydrophobicContact CD1-CB 3.7Å; I962-L1125 HydrophobicContact CG1-CB 4.43Å; I962-L1129 HydrophobicContact CB-CB 4.04Å; I962-L1129 HydrophobicContact CB-CD2 4.44Å; I962-L1129 HydrophobicContact CG2-CB 3.31Å; I962-L1129 HydrophobicContact CG2-CD1 3.61Å; I962-L1129 HydrophobicContact CG2-CD2 3.79Å; I962-L1129 HydrophobicContact CG2-CG 3.7Å; I962-L1129 WeakPolarHBondContact O-CD2 3.26Å; I962-R1141 VanDerWaalsContact CG2-O 3.26Å; I962-R1141 WeakPolarHBondContact CG2-O 3.39Å; I962-F1143 HydrophobicContact CD1-CE1 4.33Å; I962-F1143 HydrophobicContact CG2-CD1 3.92Å; I962-F1143 HydrophobicContact CG2-CE1 3.7Å
963V55.6Low54.2Low86 Ų8657.8 Ų57.852%0.52133%0.326SS..  trans-127.372.1-156.4-152.50000124.2S1126 L1129 S1130V963-S1126 PolarHBondContact N-O 3.21Å; V963-S1126 VanDerWaalsContact N-O 3.16Å; V963-L1129 CarbonylContact C-O 3.44Å; V963-S1130 WeakPolarHBondContact O-CA 3.13Å; V963-S1130 WeakPolarHBondContact O-CB 3.38Å; V963-S1130 PolarHBondContact O-N 3.39Å; V963-S1130 PolarHBondContact O-OG 2.87Å
964P53.3Low54.4Low39 Ų3963.4 Ų63.425%0.25335%0.351SS..  trans61.90173.8-32.93000135.5L1129 S1130 N1133 F1134P964-L1129 CarbonylContact C-O 3.44Å; P964-L1129 WeakPolarHBondContact CA-O 3.31Å; P964-S1130 CarbonylContact O-C 3.54Å; P964-N1133 VanDerWaalsContact CA-N 3.31Å; P964-N1133 HydrophobicContact CB-CB 3.95Å; P964-N1133 WeakPolarHBondContact CD-ND2 3.27Å; P964-N1133 HydrophobicContact CG-CB 3.79Å; P964-F1134 VanDerWaalsContact CB-CA 3.49Å; P964-F1134 HydrophobicContact CB-CB 3.19Å; P964-F1134 HydrophobicContact CG-CB 4.49Å
965V49.8Very low53.7Low0 Ų063.3 Ų63.30%034%0.343CS..  0172.70-94.30000117.4L967 L1129 I1131 G1132 N1133 F1134 L1135 N1136 L1163V965-L967 HydrophobicContact CG1-CG 4.17Å; V965-L1129 PolarHBondContact N-O 3.31Å; V965-I1131 VanDerWaalsContact CA-CA 3.49Å; V965-I1131 HydrophobicContact CB-CB 4.14Å; V965-I1131 HydrophobicContact CB-CG2 3.84Å; V965-I1131 VanDerWaalsContact CG1-CA 3.4Å; V965-I1131 HydrophobicContact CG1-CB 3.62Å; V965-I1131 HydrophobicContact CG1-CG2 3.68Å; V965-I1131 WeakPolarHBondContact CG1-O 3.18Å; V965-G1132 VanDerWaalsContact CB-CA 3.4Å; V965-G1132 VanDerWaalsContact CG1-CA 3.46Å; V965-G1132 WeakPolarHBondContact CG2-O 3.3Å; V965-N1133 CarbonylContact O-C 3.54Å; V965-F1134 CarbonylContact O-C 3.59Å; V965-F1134 PolarHBondContact O-N 3.46Å; V965-L1135 VanDerWaalsContact C-CB 3.4Å; V965-L1135 CarbonylContact O-C 3.59Å; V965-L1135 VanDerWaalsContact O-C 3.27Å; V965-L1135 WeakPolarHBondContact O-CA 3.24Å; V965-L1135 WeakPolarHBondContact O-CB 3.13Å; V965-L1135 PolarHBondContact O-N 3.32Å; V965-N1136 HydrophobicContact CG2-CB 3.69Å; V965-N1136 WeakPolarHBondContact CG2-ND2 3.03Å; V965-N1136 PolarHBondContact O-N 3.29Å; V965-L1163 HydrophobicContact CG1-CD2 4.03Å
966K57.5Low53.2Low116 Ų11662.1 Ų62.150%0.50433%0.332SS..  -118.9155.3124.1-170.3164.9-76.4173.10111.8L1135K966-L1135 HydrophobicContact CB-CB 3.58Å; K966-L1135 HydrophobicContact CB-CD1 4Å; K966-L1135 HydrophobicContact CB-CD2 4.22Å; K966-L1135 HydrophobicContact CB-CG 4.1Å; K966-L1135 HydrophobicContact CD-CD2 3.95Å; K966-L1135 VanDerWaalsContact CE-C 3.43Å; K966-L1135 WeakPolarHBondContact CE-O 3.34Å
967L56.6Low52.8Low41 Ų4167.4 Ų67.422%0.21535%0.349CS..  trans-131.3161.8163.2-79.9-165.7000113.4V965 Y1147 V1154 L1163V965-L967 HydrophobicContact CG1-CG 4.17Å; L967-Y1147 HydrophobicContact CD1-CE2 4.23Å; L967-Y1147 WeakPolarHBondContact CD1-OH 3.5Å; L967-V1154 HydrophobicContact CB-CG1 4.09Å; L967-V1154 HydrophobicContact CD1-CB 3.86Å; L967-V1154 HydrophobicContact CD1-CG1 4.13Å; L967-V1154 HydrophobicContact CD1-CG2 3.71Å; L967-V1154 HydrophobicContact CD2-CB 3.93Å; L967-V1154 HydrophobicContact CD2-CG1 3.58Å; L967-V1154 HydrophobicContact CG-CB 4.37Å; L967-V1154 HydrophobicContact CG-CG1 4.12Å; L967-L1163 HydrophobicContact CD1-CD2 3.8Å; L967-L1163 HydrophobicContact CD2-CB 3.95Å; L967-L1163 HydrophobicContact CD2-CD1 3.63Å; L967-L1163 HydrophobicContact CD2-CD2 3.61Å; L967-L1163 HydrophobicContact CD2-CG 3.9Å; L967-L1163 HydrophobicContact CG-CD2 3.97Å
968D53.2Low51.7Low66 Ų6670.5 Ų70.535%0.35336%0.364SS..  trans-106111.8-174.6-162.97.7000110.5V1154D968-V1154 HydrophobicContact CB-CG1 4.33Å
969P50.8Low50.7Low66 Ų6675.9 Ų75.943%0.42938%0.383SS..  trans-77.2-47-165.927-31.9000114.1F971 L972 E973P969-F971 PolarHBondContact O-N 3.32Å; P969-L972 WeakPolarHBondContact O-CB 3.45Å; P969-L972 PolarHBondContact O-N 2.8Å; P969-E973 WeakPolarHBondContact O-CG 3.5Å
970D53.1Low49.8Very low114 Ų11479.5 Ų79.561%0.6141%0.41SS*.G310 helixtrans-55.6-24.8-164-58.5-0.7000114.6
971F54.7Low48.7Very low81 Ų8180.1 Ų80.136%0.35542%0.415SS..G310 helixtrans-73-27.5178.4177.6-99.7000114.1P969 E973 T975 E1153P969-F971 PolarHBondContact O-N 3.32Å; F971-E973 PolarHBondContact O-N 2.92Å; F971-E973 VanDerWaalsContact O-N 3.07Å; F971-T975 PolarHBondContact O-OG1 3.23Å; F971-E1153 VanDerWaalsContact CE1-O 3.24Å; F971-E1153 WeakPolarHBondContact CE1-O 3.47Å
972L50Low47.5Very low13 Ų1381.7 Ų81.77%0.06843%0.427CS..G310 helixtrans-73.35.5-177.8-68.5-179.4000114L897 P969 F976 E1153 V1154L897-L972 HydrophobicContact CD1-CD1 3.9Å; L897-L972 HydrophobicContact CD2-CD1 4.47Å; P969-L972 WeakPolarHBondContact O-CB 3.45Å; P969-L972 PolarHBondContact O-N 2.8Å; L972-F976 HydrophobicContact CD2-CE2 4.22Å; L972-F976 VanDerWaalsContact O-CD2 3.25Å; L972-F976 WeakPolarHBondContact O-CD2 3.49Å; L972-E1153 HydrophobicContact CD2-CB 3.47Å; L972-E1153 VanDerWaalsContact CD2-CB 3.47Å; L972-E1153 HydrophobicContact CD2-CG 4.47Å; L972-V1154 HydrophobicContact CD1-CG2 3.57Å; L972-V1154 HydrophobicContact CD2-CG2 3.56Å; L972-V1154 HydrophobicContact CG-CG2 3.69Å
973E49.3Very low46.2Very low32 Ų3288.4 Ų88.415%0.1546%0.462CS..THydrogen-bonded Turntrans-132.4-26.2-151-47.1-165123.900112.3T894 I895 P969 F971 T975T894-E973 WeakPolarHBondContact CA-OE1 3.16Å; T894-E973 WeakPolarHBondContact CA-OE2 3.43Å; T894-E973 WeakPolarHBondContact CB-OE1 3.48Å; T894-E973 WeakPolarHBondContact CB-OE2 3.41Å; T894-E973 VanDerWaalsContact CG2-CD 3.45Å; T894-E973 WeakPolarHBondContact CG2-OE1 3.33Å; T894-E973 VanDerWaalsContact CG2-OE2 3.26Å; T894-E973 WeakPolarHBondContact CG2-OE2 3.43Å; T894-E973 PolarHBondContact OG1-OE2 2.9Å; I895-E973 HydrophobicContact CB-CB 4.04Å; I895-E973 HydrophobicContact CB-CG 4.08Å; I895-E973 VanDerWaalsContact CD1-O 3.23Å; I895-E973 WeakPolarHBondContact CD1-O 3.27Å; I895-E973 HydrophobicContact CG1-CB 4.05Å; I895-E973 WeakPolarHBondContact CG1-O 3.21Å; I895-E973 PolarHBondContact N-OE1 2.79Å; P969-E973 WeakPolarHBondContact O-CG 3.5Å; F971-E973 PolarHBondContact O-N 2.92Å; F971-E973 VanDerWaalsContact O-N 3.07Å; E973-T975 VanDerWaalsContact C-N 3.32Å
974E51Low45.4Very low184 Ų18489.1 Ų89.186%0.8646%0.458SS*.SBendtrans-83.4-10.2164.7-168.2170.8-149.800112
975T37.4Very low44.5Very low74 Ų7495 Ų9545%0.45449%0.485SS..SBendtrans-108.6-6.2-162.3-50.30000115.1F971 E973F971-T975 PolarHBondContact O-OG1 3.23Å; E973-T975 VanDerWaalsContact C-N 3.32Å
976F41.4Very low44.4Very low93 Ų93102 Ų10241%0.40852%0.516SS..  trans-140.558.9-162.8-64-89.6000116.5I895 L972 E1153I895-F976 HydrophobicContact CD1-CB 4.22Å; L972-F976 HydrophobicContact CD2-CE2 4.22Å; L972-F976 VanDerWaalsContact O-CD2 3.25Å; L972-F976 WeakPolarHBondContact O-CD2 3.49Å; F976-E1153 HydrophobicContact CE1-CG 4.43Å; F976-E1153 VanDerWaalsContact CE1-OE1 3.3Å; F976-E1153 WeakPolarHBondContact CE1-OE1 3.34Å; F976-E1153 HydrophobicContact CZ-CB 4.12Å; F976-E1153 HydrophobicContact CZ-CG 3.75Å; F976-E1153 WeakPolarHBondContact CZ-OE1 3.33Å
977E40.3Very low43.3Very low155 Ų155105 Ų10572%0.72453%0.529SS*.  trans-142118.1165.3-173.3168.2178.800111.3
978N33.5Very low42.6Very low113 Ų113109.8 Ų109.860%0.60455%0.55SS**  trans-166.1162.7167.4-105.7106.8000110.1E631E631-N978 VanDerWaalsContact OE1-C 3.27Å; E631-N978 WeakPolarHBondContact OE1-CA 3.41Å; E631-N978 WeakPolarHBondContact OE2-CA 3.2Å; E631-N978 PolarHBondContact OE2-ND2 3.1Å
979R39.2Very low41.9Very low119 Ų119112.2 Ų112.245%0.44956%0.559SS.*  trans-155-175.9-178.9-86.1138144.8-131.4-12.7112.5E630 E631 V632 N634E630-R979 CarbonylContact C-O 3.32Å; E630-R979 VanDerWaalsContact CA-O 3.27Å; E630-R979 WeakPolarHBondContact CA-O 3.17Å; E631-R979 WeakPolarHBondContact CA-O 3.35Å; E631-R979 PolarHBondContact OE1-N 2.72Å; E631-R979 VanDerWaalsContact OE1-N 3.09Å; E631-R979 PolarHBondContact OE2-N 3.1Å; V632-R979 HydrophobicContact CG2-CB 4.32Å; V632-R979 VanDerWaalsContact N-CB 3.26Å; N634-R979 PolarHBondContact OD1-NH2 3.12Å
980S38.8Very low41.5Very low86 Ų86113.4 Ų113.460%0.60157%0.566SS**  trans-164.3-178.5174.7780000112
981S35.8Very low40.7Very low82 Ų82111.1 Ų111.157%0.57356%0.563SS**  cis-151.1-139.3-15.5330000109
982D34.9Very low40.6Very low138 Ų138113.6 Ų113.674%0.73858%0.584SS**  cis-174.3-171.96-141.1-65.4000114.1
983L34.8Very low40.5Very low159 Ų159121 Ų12183%0.83262%0.615SS**  trans85153.9160.8-62.7-178.2000125.1
984K37.9Very low40.9Very low101 Ų101126.4 Ų126.444%0.43964%0.639SS.*  trans-158.7155.4-164.5-63.3174.8-174.8-177.10114.5V623 S624 V625 N626V623-K984 HydrophobicContact CB-CB 3.91Å; V623-K984 HydrophobicContact CB-CD 4.18Å; V623-K984 HydrophobicContact CB-CG 3.97Å; V623-K984 HydrophobicContact CG1-CB 4.34Å; V623-K984 HydrophobicContact CG1-CD 4.1Å; V623-K984 HydrophobicContact CG1-CG 3.88Å; V623-K984 HydrophobicContact CG2-CB 3.89Å; V623-K984 HydrophobicContact CG2-CG 4.32Å; S624-K984 VanDerWaalsContact O-CD 3.3Å; S624-K984 WeakPolarHBondContact O-CD 3.49Å; S624-K984 WeakPolarHBondContact O-CE 3.29Å; S624-K984 PolarHBondContact O-NZ 3.2Å; V625-K984 PolarHBondContact O-NZ 3.46Å; N626-K984 PolarHBondContact O-NZ 3.04Å
985I35.7Very low41.5Very low161 Ų161118.5 Ų118.583%0.82660%0.602SS**  trans-167.6165.9174-103.3145.5000117.7
986K46.6Very low43Very low147 Ų147117.2 Ų117.264%0.63959%0.591SS**  trans-160.3147.1-161.5165.1179.6-116.8145.30117.6Q621 D622Q621-K986 VanDerWaalsContact O-CA 3.23Å; Q621-K986 WeakPolarHBondContact O-CA 3.47Å; Q621-K986 WeakPolarHBondContact O-CB 3.34Å; Q621-K986 WeakPolarHBondContact O-CG 3.44Å; D622-K986 WeakPolarHBondContact O-CD 3.48Å; D622-K986 WeakPolarHBondContact O-CE 3.33Å; D622-K986 PolarHBondContact O-NZ 3.33Å
987K34.2Very low44.9Very low180 Ų180115.2 Ų115.278%0.78359%0.586SS**  trans178.3-179.5159.1-125.5177.7178.3172.60120S620S620-K987 CarbonylContact O-C 3.53Å
988Q42.2Very low46.9Very low142 Ų142108.3 Ų108.366%0.66455%0.554SS**  -166.5154.7-103.7-175.7-174.126.800111.5N619N619-Q988 WeakPolarHBondContact O-CA 3.32Å; N619-Q988 WeakPolarHBondContact O-CG 3.49Å
989E37.7Very low49.2Very low116 Ų116107.4 Ų107.454%0.54255%0.549SS..  trans-148.2-172174.3-150.4135.3-120.800119.7Q618 K1001Q618-E989 PolarHBondContact O-N 2.77Å; Q618-E989 VanDerWaalsContact O-N 3.12Å; E989-K1001 WeakPolarHBondContact OE1-CE 3.37Å; E989-K1001 IonicContact OE1-NZ 2.81Å; E989-K1001 PolarHBondContact OE1-NZ 2.93Å
990V43.7Very low51.3Low92 Ų92104.2 Ų104.256%0.55854%0.54SS*.  trans-140.6175.1-138.1-176.40000117.5M1000V990-M1000 HydrophobicContact CG1-CG 3.72Å; V990-M1000 HydrophobicContact CG1-SD 4.32Å
991A36.6Very low53.4Low66 Ų66106.5 Ų106.555%0.54554%0.539SS..  trans-110.1-149.1-175.800000118.6
992V52.1Low55.9Low132 Ų132105 Ų10580%0.852%0.521SS*.  trans-134.4163.6-150.9-179.50000113.3
993K48.1Very low58.4Low169 Ų16998.5 Ų98.574%0.73549%0.486SS*.  cis-154.3153.2-48.6-96.6-170178.7-171.70110.2E996K993-E996 WeakPolarHBondContact CA-OE2 3.21Å
994K58.1Low60.9Low146 Ų14694 Ų9464%0.63546%0.463SS*.SBendtrans-139.3-160.7174.4-60.5167.2-172.3157.20111.8E996K994-E996 HydrophobicContact CB-CG 4.2Å; K994-E996 WeakPolarHBondContact CB-OE1 3.5Å; K994-E996 WeakPolarHBondContact CD-OE1 3.42Å; K994-E996 WeakPolarHBondContact CG-OE1 3.41Å; K994-E996 PolarHBondContact N-OE1 3.47Å; K994-E996 PolarHBondContact N-OE2 3.47Å; K994-E996 PolarHBondContact O-N 2.92Å
995I63.2Low63.2Low18 Ų1890.9 Ų90.99%0.09246%0.456CS..BIsolated β-bridgetrans-70.581.8149.6-46.6-176.3000107.1V997 Q1060 L1063 P1064 L1065 G1066I995-V997 HydrophobicContact CG2-CG2 3.68Å; I995-Q1060 HydrophobicContact CD1-CB 4.49Å; I995-L1063 HydrophobicContact CD1-CB 3.52Å; I995-L1063 WeakPolarHBondContact CD1-O 3.49Å; I995-L1063 HydrophobicContact CG1-CB 3.77Å; I995-P1064 WeakPolarHBondContact CG1-O 3.37Å; I995-L1065 HydrophobicContact CD1-CD2 4.49Å; I995-L1065 HydrophobicContact CG2-CD2 4.41Å; I995-G1066 PolarHBondContact O-N 3.29Å
996E68.7Low65.7Low47 Ų4783.2 Ų83.222%0.2242%0.417CS..  trans-95.695.9164.8-75.4131.3-168.600106.8K993 K994 L998 M1000 E1069K993-E996 WeakPolarHBondContact CA-OE2 3.21Å; K994-E996 HydrophobicContact CB-CG 4.2Å; K994-E996 WeakPolarHBondContact CB-OE1 3.5Å; K994-E996 WeakPolarHBondContact CD-OE1 3.42Å; K994-E996 WeakPolarHBondContact CG-OE1 3.41Å; K994-E996 PolarHBondContact N-OE1 3.47Å; K994-E996 PolarHBondContact N-OE2 3.47Å; K994-E996 PolarHBondContact O-N 2.92Å; E996-L998 CarbonylContact C-O 3.39Å; E996-M1000 WeakPolarHBondContact OE2-CE 3.39Å; E996-E1069 WeakPolarHBondContact CA-OE1 3.13Å
997V80.1Confident67.6Low50 Ų5077.8 Ų77.830%0.30340%0.395SS..  trans-78-35.2169-1720000108.8I995 A1052 I1053 A1056 E1069I995-V997 HydrophobicContact CG2-CG2 3.68Å; V997-A1052 HydrophobicContact CG1-CB 3.69Å; V997-I1053 HydrophobicContact CB-CG1 3.97Å; V997-I1053 HydrophobicContact CG1-CG1 4.15Å; V997-I1053 HydrophobicContact CG2-CG1 4.25Å; V997-A1056 HydrophobicContact CG1-CB 4.49Å; V997-A1056 HydrophobicContact CG2-CB 3.61Å; V997-E1069 HydrophobicContact CB-CG 4.34Å; V997-E1069 HydrophobicContact CG2-CG 4.42Å; V997-E1069 PolarHBondContact N-OE1 2.98Å
998L82Confident70Confident10 Ų1074.5 Ų74.55%0.05239%0.385CS..SBendtrans-72.9149.2169.9-55.8172.3000109.4E996 R1002 I1006 E1049 I1053 A1068 E1069 L1072E996-L998 CarbonylContact C-O 3.39Å; L998-R1002 HydrophobicContact CB-CB 4.46Å; L998-R1002 HydrophobicContact CB-CG 4.23Å; L998-R1002 HydrophobicContact CD2-CG 4.26Å; L998-I1006 HydrophobicContact CD1-CD1 3.8Å; L998-E1049 HydrophobicContact CD2-CB 4.05Å; L998-E1049 HydrophobicContact CD2-CG 3.6Å; L998-E1049 WeakPolarHBondContact CD2-OE1 2.78Å; L998-I1053 HydrophobicContact CD2-CD1 4.22Å; L998-I1053 HydrophobicContact CG-CD1 4.37Å; L998-A1068 HydrophobicContact CD1-CB 3.85Å; L998-E1069 WeakPolarHBondContact CB-OE1 3.38Å; L998-E1069 HydrophobicContact CD1-CG 4.06Å; L998-E1069 HydrophobicContact CG-CG 4.04Å; L998-E1069 WeakPolarHBondContact CG-OE1 3.41Å; L998-E1069 PolarHBondContact N-OE1 2.88Å; L998-L1072 HydrophobicContact CD1-CD1 3.68Å; L998-L1072 HydrophobicContact CD1-CG 4.37Å; L998-L1072 HydrophobicContact CD2-CD1 3.76Å; L998-L1072 HydrophobicContact CG-CD1 4.33Å
999D82.9Confident72Confident94 Ų9468.2 Ų68.250%0.50336%0.358SS..  trans-65156.8173.476.9-95.9000111.5K1001 R1002 S1003D999-K1001 PolarHBondContact O-N 3.17Å; D999-K1001 VanDerWaalsContact O-N 3.11Å; D999-K1001 VanDerWaalsContact OD2-CA 3.29Å; D999-K1001 WeakPolarHBondContact OD2-CA 3.19Å; D999-K1001 VanDerWaalsContact OD2-CB 3.26Å; D999-K1001 WeakPolarHBondContact OD2-CB 3.25Å; D999-K1001 PolarHBondContact OD2-N 3.1Å; D999-R1002 PolarHBondContact O-N 3.47Å; D999-R1002 VanDerWaalsContact O-N 3.15Å; D999-R1002 WeakPolarHBondContact OD1-CB 3.26Å; D999-R1002 PolarHBondContact OD2-N 3.45Å; D999-S1003 WeakPolarHBondContact O-CB 3.45Å; D999-S1003 PolarHBondContact O-N 3.43Å
1000M82.1Confident74.2Confident52 Ų5264 Ų6426%0.25634%0.339SS..Hα-helixtrans-59.5-25.4-176-175.257.666.200113.4V990 E996 N1004V990-M1000 HydrophobicContact CG1-CG 3.72Å; V990-M1000 HydrophobicContact CG1-SD 4.32Å; E996-M1000 WeakPolarHBondContact OE2-CE 3.39Å; M1000-N1004 VanDerWaalsContact O-CB 3.24Å; M1000-N1004 WeakPolarHBondContact O-CB 3.23Å; M1000-N1004 VanDerWaalsContact O-CG 3.3Å; M1000-N1004 PolarHBondContact O-N 2.97Å; M1000-N1004 PolarHBondContact O-ND2 2.82Å; M1000-N1004 PolarHBondContact SD-ND2 2.91Å
1001K83.9Confident76.1Confident135 Ų13568.3 Ų68.359%0.58735%0.35SS*.Hα-helixtrans-81.7-43.3177.3-66.4162.5-177.9162.10110.3E989 D999 A1005E989-K1001 WeakPolarHBondContact OE1-CE 3.37Å; E989-K1001 IonicContact OE1-NZ 2.81Å; E989-K1001 PolarHBondContact OE1-NZ 2.93Å; D999-K1001 PolarHBondContact O-N 3.17Å; D999-K1001 VanDerWaalsContact O-N 3.11Å; D999-K1001 VanDerWaalsContact OD2-CA 3.29Å; D999-K1001 WeakPolarHBondContact OD2-CA 3.19Å; D999-K1001 VanDerWaalsContact OD2-CB 3.26Å; D999-K1001 WeakPolarHBondContact OD2-CB 3.25Å; D999-K1001 PolarHBondContact OD2-N 3.1Å; K1001-A1005 VanDerWaalsContact O-CB 3.29Å; K1001-A1005 WeakPolarHBondContact O-CB 3.43Å; K1001-A1005 PolarHBondContact O-N 2.96Å
1002R88.4Confident78.2Confident49 Ų4969.2 Ų69.219%0.18535%0.348CS..Hα-helixtrans-64-48.8174.3-179.864.3156.5169.7-6112.8L998 D999 N1004 A1005 I1006 T1042 L1044 E1049L998-R1002 HydrophobicContact CB-CB 4.46Å; L998-R1002 HydrophobicContact CB-CG 4.23Å; L998-R1002 HydrophobicContact CD2-CG 4.26Å; D999-R1002 PolarHBondContact O-N 3.47Å; D999-R1002 VanDerWaalsContact O-N 3.15Å; D999-R1002 WeakPolarHBondContact OD1-CB 3.26Å; D999-R1002 PolarHBondContact OD2-N 3.45Å; R1002-N1004 PolarHBondContact O-N 3.42Å; R1002-A1005 PolarHBondContact O-N 3.38Å; R1002-I1006 HydrophobicContact CG-CD1 4.13Å; R1002-I1006 WeakPolarHBondContact O-CG1 3.32Å; R1002-I1006 PolarHBondContact O-N 2.96Å; R1002-T1042 PolarHBondContact NH1-O 2.95Å; R1002-L1044 PolarHBondContact NH2-O 3.3Å; R1002-E1049 IonicContact CZ-OE1 3.23Å; R1002-E1049 VanDerWaalsContact CZ-OE1 3.29Å; R1002-E1049 IonicContact CZ-OE2 3.85Å; R1002-E1049 IonicContact NE-OE1 2.66Å; R1002-E1049 PolarHBondContact NE-OE1 3.25Å; R1002-E1049 IonicContact NE-OE2 3.68Å; R1002-E1049 VanDerWaalsContact NH2-CD 3.27Å; R1002-E1049 IonicContact NH2-OE1 2.76Å; R1002-E1049 PolarHBondContact NH2-OE1 3.44Å; R1002-E1049 IonicContact NH2-OE2 3.35Å; R1002-E1049 PolarHBondContact NH2-OE2 3.39Å
1003S87.6Confident79.4Confident3 Ų363.8 Ų63.82%0.02132%0.315CS..Hα-helixtrans-61.4-45.4177.7-167.30000111D999 A1005 I1006 N1007D999-S1003 WeakPolarHBondContact O-CB 3.45Å; D999-S1003 PolarHBondContact O-N 3.43Å; S1003-A1005 PolarHBondContact O-N 3.3Å; S1003-I1006 PolarHBondContact O-N 2.97Å; S1003-N1007 WeakPolarHBondContact O-CB 3.16Å; S1003-N1007 PolarHBondContact O-N 3.32Å; S1003-N1007 PolarHBondContact O-ND2 2.76Å; S1003-N1007 PolarHBondContact OG-ND2 3.17Å
1004N86.8Confident80.8Confident65 Ų6557.2 Ų57.235%0.34829%0.29SS..Hα-helixtrans-63.7-39.5174.2-79.9-46.6000113.1M1000 R1002 I1006 N1007 I1008M1000-N1004 VanDerWaalsContact O-CB 3.24Å; M1000-N1004 WeakPolarHBondContact O-CB 3.23Å; M1000-N1004 VanDerWaalsContact O-CG 3.3Å; M1000-N1004 PolarHBondContact O-N 2.97Å; M1000-N1004 PolarHBondContact O-ND2 2.82Å; M1000-N1004 PolarHBondContact SD-ND2 2.91Å; R1002-N1004 PolarHBondContact O-N 3.42Å; N1004-I1006 VanDerWaalsContact C-N 3.35Å; N1004-I1006 PolarHBondContact O-N 2.95Å; N1004-N1007 PolarHBondContact O-N 2.64Å; N1004-I1008 WeakPolarHBondContact O-CB 3.13Å; N1004-I1008 WeakPolarHBondContact O-CD1 3.18Å; N1004-I1008 WeakPolarHBondContact O-CG1 3.44Å; N1004-I1008 PolarHBondContact O-N 3.05Å
1005A86.7Confident81.7Confident34 Ų3454.5 Ų54.528%0.28129%0.287SS..Hα-helixtrans-62.2-41.3178.500000112.3K1001 R1002 S1003 G1009 T1042K1001-A1005 VanDerWaalsContact O-CB 3.29Å; K1001-A1005 WeakPolarHBondContact O-CB 3.43Å; K1001-A1005 PolarHBondContact O-N 2.96Å; R1002-A1005 PolarHBondContact O-N 3.38Å; S1003-A1005 PolarHBondContact O-N 3.3Å; A1005-G1009 PolarHBondContact O-N 2.89Å; A1005-G1009 VanDerWaalsContact O-N 3.13Å; A1005-T1042 HydrophobicContact CB-CG2 3.69Å
1006I87.5Confident82.1Confident0 Ų055.7 Ų55.70%030%0.296CS..Hα-helixtrans-66.3-48173.4-64.5158.7000110.3L998 R1002 S1003 N1004 I1008 G1009 L1010 M1043 A1068 F1071 L1072L998-I1006 HydrophobicContact CD1-CD1 3.8Å; R1002-I1006 HydrophobicContact CG-CD1 4.13Å; R1002-I1006 WeakPolarHBondContact O-CG1 3.32Å; R1002-I1006 PolarHBondContact O-N 2.96Å; S1003-I1006 PolarHBondContact O-N 2.97Å; N1004-I1006 VanDerWaalsContact C-N 3.35Å; N1004-I1006 PolarHBondContact O-N 2.95Å; I1006-I1008 VanDerWaalsContact C-N 3.28Å; I1006-I1008 PolarHBondContact O-N 3.23Å; I1006-G1009 PolarHBondContact O-N 3.12Å; I1006-L1010 HydrophobicContact CG2-CD1 3.95Å; I1006-L1010 HydrophobicContact CG2-CG 4.26Å; I1006-L1010 WeakPolarHBondContact O-CB 3.49Å; I1006-L1010 WeakPolarHBondContact O-CG 3.49Å; I1006-L1010 PolarHBondContact O-N 3.34Å; I1006-M1043 HydrophobicContact CG1-CB 4.42Å; I1006-M1043 HydrophobicContact CG1-CG 4.22Å; I1006-M1043 HydrophobicContact CG2-CG 4.46Å; I1006-A1068 HydrophobicContact CB-CB 3.72Å; I1006-A1068 HydrophobicContact CD1-CB 4.08Å; I1006-A1068 HydrophobicContact CG2-CB 3.6Å; I1006-F1071 HydrophobicContact CG2-CD1 3.92Å; I1006-L1072 HydrophobicContact CD1-CD1 4.05Å; I1006-L1072 HydrophobicContact CD1-CD2 3.88Å; I1006-L1072 HydrophobicContact CD1-CG 4.06Å
1007N86.3Confident82.4Confident34 Ų3464.6 Ų64.618%0.18233%0.327CS..Hα-helixtrans-63.4-29.6179.1-70.3-40000113.6S1003 N1004 Q1067 A1068S1003-N1007 WeakPolarHBondContact O-CB 3.16Å; S1003-N1007 PolarHBondContact O-N 3.32Å; S1003-N1007 PolarHBondContact O-ND2 2.76Å; S1003-N1007 PolarHBondContact OG-ND2 3.17Å; N1004-N1007 PolarHBondContact O-N 2.64Å; N1007-Q1067 WeakPolarHBondContact OD1-CB 3.47Å; N1007-A1068 PolarHBondContact OD1-N 3.24Å
1008I85.4Confident82.6Confident111 Ų11164.8 Ų64.857%0.56933%0.329SS*.Hα-helixtrans-70-52.6173.1-74.3163.2000109.9N1004 I1006 L1010 K1011N1004-I1008 WeakPolarHBondContact O-CB 3.13Å; N1004-I1008 WeakPolarHBondContact O-CD1 3.18Å; N1004-I1008 WeakPolarHBondContact O-CG1 3.44Å; N1004-I1008 PolarHBondContact O-N 3.05Å; I1006-I1008 VanDerWaalsContact C-N 3.28Å; I1006-I1008 PolarHBondContact O-N 3.23Å; I1008-L1010 VanDerWaalsContact C-N 3.27Å; I1008-L1010 PolarHBondContact O-N 3.17Å; I1008-K1011 WeakPolarHBondContact O-CB 3.44Å; I1008-K1011 PolarHBondContact O-N 3.17Å; I1008-K1011 VanDerWaalsContact O-N 3.11Å
1009G83.4Confident82.7Confident10 Ų1064.3 Ų64.310%0.10333%0.326CS..Hα-helixtrans-67.3-27.6-178.800000113.3A1005 I1006 K1011 V1012 L1013A1005-G1009 PolarHBondContact O-N 2.89Å; A1005-G1009 VanDerWaalsContact O-N 3.13Å; I1006-G1009 PolarHBondContact O-N 3.12Å; G1009-K1011 PolarHBondContact O-N 3.29Å; G1009-V1012 WeakPolarHBondContact O-CA 3.07Å; G1009-V1012 PolarHBondContact O-N 3.29Å; G1009-L1013 PolarHBondContact O-N 2.74Å
1010L84.2Confident82.8Confident26 Ų2661 Ų6114%0.13631%0.31CS..THydrogen-bonded Turntrans-62.7-17.3173.2-81.8175.8000113.5I1006 I1008 V1012 P1016 Q1067 F1071I1006-L1010 HydrophobicContact CG2-CD1 3.95Å; I1006-L1010 HydrophobicContact CG2-CG 4.26Å; I1006-L1010 WeakPolarHBondContact O-CB 3.49Å; I1006-L1010 WeakPolarHBondContact O-CG 3.49Å; I1006-L1010 PolarHBondContact O-N 3.34Å; I1008-L1010 VanDerWaalsContact C-N 3.27Å; I1008-L1010 PolarHBondContact O-N 3.17Å; L1010-V1012 VanDerWaalsContact C-N 3.27Å; L1010-P1016 HydrophobicContact CD2-CG 4.19Å; L1010-Q1067 HydrophobicContact CD1-CG 4.16Å; L1010-F1071 HydrophobicContact CD1-CB 4.04Å; L1010-F1071 HydrophobicContact CD1-CD1 4.33Å; L1010-F1071 HydrophobicContact CD1-CG 4.13Å; L1010-F1071 HydrophobicContact CD2-CD1 3.95Å; L1010-F1071 HydrophobicContact CD2-CD2 3.86Å; L1010-F1071 HydrophobicContact CD2-CE1 4.04Å; L1010-F1071 HydrophobicContact CD2-CE2 3.97Å; L1010-F1071 HydrophobicContact CD2-CG 3.84Å; L1010-F1071 HydrophobicContact CD2-CZ 4.04Å; L1010-F1071 HydrophobicContact CG-CD1 4.34Å; L1010-F1071 HydrophobicContact CG-CG 4.43Å
1011K83.4Confident82.9Confident184 Ų18461.1 Ų61.180%0.832%0.316SS*.THydrogen-bonded Turntrans-77.4-11.7170.1-59.3-179179.8-173.60113.6I1008 G1009I1008-K1011 WeakPolarHBondContact O-CB 3.44Å; I1008-K1011 PolarHBondContact O-N 3.17Å; I1008-K1011 VanDerWaalsContact O-N 3.11Å; G1009-K1011 PolarHBondContact O-N 3.29Å
1012V80.4Confident83Confident84 Ų8454.7 Ų54.751%0.50929%0.288SS..THydrogen-bonded Turntrans-114.4-5.8-175.7-162.20000111.6G1009 L1010G1009-V1012 WeakPolarHBondContact O-CA 3.07Å; G1009-V1012 PolarHBondContact O-N 3.29Å; L1010-V1012 VanDerWaalsContact C-N 3.27Å
1013L79Confident82.9Confident18 Ų1852.3 Ų52.39%0.09428%0.279CS..SBendtrans-102.8157.1176.8-68.9178.6000111.4G1009 I1019 I1031 G1035 L1039 M1043G1009-L1013 PolarHBondContact O-N 2.74Å; L1013-I1019 HydrophobicContact CB-CD1 3.89Å; L1013-I1019 HydrophobicContact CD1-CD1 4.07Å; L1013-I1031 HydrophobicContact CD2-CG2 4.45Å; L1013-G1035 VanDerWaalsContact CD2-CA 3.4Å; L1013-L1039 HydrophobicContact CD1-CD2 3.8Å; L1013-L1039 HydrophobicContact CD1-CG 4Å; L1013-M1043 HydrophobicContact CD1-CE 3.6Å; L1013-M1043 HydrophobicContact CD1-SD 3.48Å; L1013-M1043 WeakPolarHBondContact CD1-SD 3.27Å; L1013-M1043 HydrophobicContact CG-CE 4.39Å
1014P76.4Confident82.8Confident32 Ų3256.7 Ų56.721%0.20830%0.302CS..PPolyproline II helixtrans-57.4165.4169.6-22.732.7000113.1T1018 I1019 I1030 I1031P1014-T1018 WeakPolarHBondContact CB-OG1 3.43Å; P1014-I1019 HydrophobicContact CB-CG1 4.38Å; P1014-I1019 WeakPolarHBondContact O-CD1 3.35Å; P1014-I1030 HydrophobicContact CB-CG2 4.37Å; P1014-I1030 HydrophobicContact CG-CG2 4.22Å; P1014-I1030 WeakPolarHBondContact CG-O 3.46Å; P1014-I1031 HydrophobicContact CG-CG1 4.33Å
1015P77.1Confident82.6Confident89 Ų8960.1 Ų60.158%0.57831%0.314SS*.PPolyproline II helixtrans-51.5131.7176.9-2835.8000112.2R1017 T1018P1015-R1017 PolarHBondContact O-N 3.12Å; P1015-T1018 PolarHBondContact O-N 2.94Å; P1015-T1018 PolarHBondContact O-OG1 3.24Å
1016P72.2Confident82.3Confident43 Ų4359.4 Ų59.428%0.27931%0.305SS..Hα-helixtrans-47.8-27.1-172.1-37.138.3000117.5L1010 F1071L1010-P1016 HydrophobicContact CD2-CG 4.19Å; P1016-F1071 HydrophobicContact CB-CD2 3.95Å; P1016-F1071 HydrophobicContact CB-CE2 4.25Å; P1016-F1071 HydrophobicContact CG-CD2 4.19Å
1017R74.9Confident82Confident234 Ų23461.1 Ų61.188%0.88331%0.314SS*.Hα-helixtrans-73.7-28.3178.1-58.9-176.9-174.1178.33113.9P1015P1015-R1017 PolarHBondContact O-N 3.12Å
1018T83.6Confident81.7Confident54 Ų5466 Ų6633%0.33134%0.335SS..Hα-helixtrans-81.6-33178.363.70000111.5P1014 P1015 S1020 S1021 A1022P1014-T1018 WeakPolarHBondContact CB-OG1 3.43Å; P1015-T1018 PolarHBondContact O-N 2.94Å; P1015-T1018 PolarHBondContact O-OG1 3.24Å; T1018-S1020 PolarHBondContact O-N 3.14Å; T1018-S1021 WeakPolarHBondContact O-CB 3.31Å; T1018-S1021 PolarHBondContact O-N 2.72Å; T1018-A1022 PolarHBondContact O-N 2.88Å
1019I85.4Confident81.3Confident0 Ų065.2 Ų65.20%034%0.34CS..Hα-helixtrans-51-51.1-179.5-66.2179.6000111.6L1013 P1014 S1021 A1022 I1023 I1031 L1039 F1071 L1075L1013-I1019 HydrophobicContact CB-CD1 3.89Å; L1013-I1019 HydrophobicContact CD1-CD1 4.07Å; P1014-I1019 HydrophobicContact CB-CG1 4.38Å; P1014-I1019 WeakPolarHBondContact O-CD1 3.35Å; I1019-S1021 VanDerWaalsContact C-N 3.27Å; I1019-S1021 PolarHBondContact O-N 2.86Å; I1019-A1022 PolarHBondContact O-N 2.91Å; I1019-I1023 HydrophobicContact CG2-CD1 3.56Å; I1019-I1023 HydrophobicContact CG2-CG1 4.3Å; I1019-I1023 WeakPolarHBondContact O-CG1 3.28Å; I1019-I1023 PolarHBondContact O-N 3.17Å; I1019-I1031 HydrophobicContact CB-CD1 4.35Å; I1019-I1031 HydrophobicContact CG1-CD1 4.36Å; I1019-I1031 HydrophobicContact CG2-CD1 3.99Å; I1019-L1039 HydrophobicContact CG2-CD1 4.37Å; I1019-F1071 HydrophobicContact CD1-CE2 3.83Å; I1019-F1071 HydrophobicContact CD1-CZ 3.98Å; I1019-L1075 HydrophobicContact CG2-CD2 4.16Å
1020S84.2Confident81.1Confident23 Ų2367.4 Ų67.416%0.16135%0.348CS..Hα-helixtrans-63.1-32-179-490000113.1T1018 L1024T1018-S1020 PolarHBondContact O-N 3.14Å; S1020-L1024 WeakPolarHBondContact O-CB 3.39Å; S1020-L1024 VanDerWaalsContact O-CG 3.27Å; S1020-L1024 WeakPolarHBondContact O-CG 3.3Å; S1020-L1024 PolarHBondContact O-N 2.96Å
1021S84.5Confident81Confident55 Ų5566.2 Ų66.239%0.38534%0.342SS..Hα-helixtrans-73.1-41.8175.1-160.90000111.7T1018 I1019 L1024 K1025T1018-S1021 WeakPolarHBondContact O-CB 3.31Å; T1018-S1021 PolarHBondContact O-N 2.72Å; I1019-S1021 VanDerWaalsContact C-N 3.27Å; I1019-S1021 PolarHBondContact O-N 2.86Å; S1021-L1024 PolarHBondContact O-N 3.48Å; S1021-K1025 WeakPolarHBondContact O-CB 3.4Å; S1021-K1025 WeakPolarHBondContact O-CG 3.48Å; S1021-K1025 PolarHBondContact O-N 3.22Å; S1021-K1025 VanDerWaalsContact O-N 3.08Å
1022A85.8Confident80.9Confident0 Ų061.7 Ų61.70%033%0.327CS..Hα-helixtrans-63.4-44.5177.700000112.1T1018 I1019 L1024 K1025 M1026 D1027 I1030 I1031 W1088T1018-A1022 PolarHBondContact O-N 2.88Å; I1019-A1022 PolarHBondContact O-N 2.91Å; A1022-L1024 VanDerWaalsContact C-N 3.34Å; A1022-L1024 PolarHBondContact O-N 3.4Å; A1022-K1025 CarbonylContact O-C 3.46Å; A1022-K1025 PolarHBondContact O-N 3.21Å; A1022-M1026 WeakPolarHBondContact O-CA 3.39Å; A1022-M1026 PolarHBondContact O-N 3.2Å; A1022-D1027 HydrophobicContact CB-CB 4.31Å; A1022-D1027 PolarHBondContact O-N 2.95Å; A1022-I1030 HydrophobicContact CB-CB 3.74Å; A1022-I1030 HydrophobicContact CB-CD1 4.1Å; A1022-I1030 HydrophobicContact CB-CG1 4.47Å; A1022-I1030 HydrophobicContact CB-CG2 3.8Å; A1022-I1031 HydrophobicContact CB-CD1 3.86Å; A1022-I1031 HydrophobicContact CB-CG1 3.81Å; A1022-W1088 HydrophobicContact CB-CH2 4.27Å
1023I86.8Confident81.1Confident0 Ų063 Ų630%032%0.322CS..Hα-helixtrans-61.7-40.2175.3-68170.5000111.4I1019 K1025 I1031 L1039 L1075 I1078 L1081 R1084 L1085 W1088I1019-I1023 HydrophobicContact CG2-CD1 3.56Å; I1019-I1023 HydrophobicContact CG2-CG1 4.3Å; I1019-I1023 WeakPolarHBondContact O-CG1 3.28Å; I1019-I1023 PolarHBondContact O-N 3.17Å; I1023-K1025 VanDerWaalsContact C-N 3.32Å; I1023-K1025 PolarHBondContact O-N 3.49Å; I1023-I1031 HydrophobicContact CG1-CD1 4.11Å; I1023-L1039 HydrophobicContact CD1-CD1 4.18Å; I1023-L1075 HydrophobicContact CD1-CD2 4.08Å; I1023-I1078 HydrophobicContact CB-CD1 4.35Å; I1023-I1078 HydrophobicContact CD1-CD1 4.05Å; I1023-I1078 HydrophobicContact CG2-CD1 4.21Å; I1023-I1078 HydrophobicContact CG2-CG2 3.99Å; I1023-L1081 HydrophobicContact CD1-CD1 4.06Å; I1023-L1081 HydrophobicContact CG2-CD1 4.16Å; I1023-R1084 HydrophobicContact CG2-CG 4Å; I1023-R1084 WeakPolarHBondContact O-CD 3.38Å; I1023-R1084 PolarHBondContact O-NH1 3.41Å; I1023-L1085 HydrophobicContact CD1-CD2 4.02Å; I1023-L1085 HydrophobicContact CG1-CD2 4Å; I1023-W1088 HydrophobicContact CB-CZ3 4.49Å; I1023-W1088 HydrophobicContact CG1-CZ3 4.01Å
1024L84.3Confident81.4Confident95 Ų9566.8 Ų66.850%0.49734%0.34SS..Hα-helixtrans-67.3-31.6177.1-75.4172000113S1020 S1021 A1022 I1078 R1084S1020-L1024 WeakPolarHBondContact O-CB 3.39Å; S1020-L1024 VanDerWaalsContact O-CG 3.27Å; S1020-L1024 WeakPolarHBondContact O-CG 3.3Å; S1020-L1024 PolarHBondContact O-N 2.96Å; S1021-L1024 PolarHBondContact O-N 3.48Å; A1022-L1024 VanDerWaalsContact C-N 3.34Å; A1022-L1024 PolarHBondContact O-N 3.4Å; L1024-I1078 HydrophobicContact CD2-CG2 4.26Å; L1024-R1084 PolarHBondContact O-NH1 3.39Å
1025K82.7Confident81.8Confident137 Ų13765.3 Ų65.360%0.59633%0.33SS*.Hα-helixtrans-91-17.5179.1-70.1174.6178.8-179.50115.3S1021 A1022 I1023 D1027S1021-K1025 WeakPolarHBondContact O-CB 3.4Å; S1021-K1025 WeakPolarHBondContact O-CG 3.48Å; S1021-K1025 PolarHBondContact O-N 3.22Å; S1021-K1025 VanDerWaalsContact O-N 3.08Å; A1022-K1025 CarbonylContact O-C 3.46Å; A1022-K1025 PolarHBondContact O-N 3.21Å; I1023-K1025 VanDerWaalsContact C-N 3.32Å; I1023-K1025 PolarHBondContact O-N 3.49Å; K1025-D1027 HydrophobicContact CB-CB 3.93Å; K1025-D1027 HydrophobicContact CD-CB 4.44Å
1026M81Confident82.4Confident18 Ų1861 Ų619%0.08930%0.303CS..THydrogen-bonded Turntrans58.243.8-163.2-43.3-61.2-129.700112.5A1022 H1028 R1084 L1087 W1088A1022-M1026 WeakPolarHBondContact O-CA 3.39Å; A1022-M1026 PolarHBondContact O-N 3.2Å; M1026-H1028 PolarHBondContact O-N 3.18Å; M1026-R1084 HydrophobicContact CE-CG 3.88Å; M1026-R1084 WeakPolarHBondContact CE-O 3.38Å; M1026-R1084 HydrophobicContact SD-CG 3.81Å; M1026-L1087 HydrophobicContact CE-CB 4.37Å; M1026-L1087 HydrophobicContact CE-CD2 4.06Å; M1026-L1087 HydrophobicContact CE-CG 4.05Å; M1026-W1088 VanDerWaalsContact C-CZ2 3.49Å; M1026-W1088 HydrophobicContact CB-CD2 4.19Å; M1026-W1088 HydrophobicContact CB-CG 4.18Å; M1026-W1088 HydrophobicContact CE-CB 4Å; M1026-W1088 HydrophobicContact SD-CB 3.91Å; M1026-W1088 HydrophobicContact SD-CD2 4.22Å; M1026-W1088 HydrophobicContact SD-CE3 4.3Å; M1026-W1088 HydrophobicContact SD-CG 4.07Å
1027D80.5Confident83Confident36 Ų3661.8 Ų61.819%0.19330%0.303CS..  trans-87.395.9-168.4-161.3-23.3000113.4A1022 K1025 S1029 I1030 I1031 W1088A1022-D1027 HydrophobicContact CB-CB 4.31Å; A1022-D1027 PolarHBondContact O-N 2.95Å; K1025-D1027 HydrophobicContact CB-CB 3.93Å; K1025-D1027 HydrophobicContact CD-CB 4.44Å; D1027-S1029 PolarHBondContact O-N 3.27Å; D1027-S1029 WeakPolarHBondContact OD1-CB 3.5Å; D1027-S1029 PolarHBondContact OD1-N 2.91Å; D1027-S1029 VanDerWaalsContact OD1-N 3.16Å; D1027-S1029 PolarHBondContact OD1-OG 2.92Å; D1027-I1030 HydrophobicContact CB-CD1 4.25Å; D1027-I1030 HydrophobicContact CB-CG1 4.44Å; D1027-I1030 PolarHBondContact O-N 2.87Å; D1027-I1030 VanDerWaalsContact O-N 3.14Å; D1027-I1031 PolarHBondContact O-N 3.32Å; D1027-W1088 VanDerWaalsContact C-CZ2 3.4Å; D1027-W1088 WeakPolarHBondContact O-CZ2 3.41Å
1028H80Confident83.5Confident137 Ų13753.3 Ų53.363%0.63427%0.272SS*.THydrogen-bonded Turntrans-64-14.2-179.470.4-74000114.8M1026 I1030 L1092M1026-H1028 PolarHBondContact O-N 3.18Å; H1028-I1030 VanDerWaalsContact C-N 3.31Å; H1028-L1092 HydrophobicContact CB-CD2 4.37Å
1029S78.5Confident83.7Confident94 Ų9450.8 Ų50.866%0.65726%0.257SS*.THydrogen-bonded Turntrans-76.3-21174.670.10000112.8D1027D1027-S1029 PolarHBondContact O-N 3.27Å; D1027-S1029 WeakPolarHBondContact OD1-CB 3.5Å; D1027-S1029 PolarHBondContact OD1-N 2.91Å; D1027-S1029 VanDerWaalsContact OD1-N 3.16Å; D1027-S1029 PolarHBondContact OD1-OG 2.92Å
1030I78.5Confident83.8Confident56 Ų5652.3 Ų52.329%0.28726%0.264SS..THydrogen-bonded Turntrans-103.1-42.8-174.8-54.8175.8000111.4P1014 A1022 D1027 H1028P1014-I1030 HydrophobicContact CB-CG2 4.37Å; P1014-I1030 HydrophobicContact CG-CG2 4.22Å; P1014-I1030 WeakPolarHBondContact CG-O 3.46Å; A1022-I1030 HydrophobicContact CB-CB 3.74Å; A1022-I1030 HydrophobicContact CB-CD1 4.1Å; A1022-I1030 HydrophobicContact CB-CG1 4.47Å; A1022-I1030 HydrophobicContact CB-CG2 3.8Å; D1027-I1030 HydrophobicContact CB-CD1 4.25Å; D1027-I1030 HydrophobicContact CB-CG1 4.44Å; D1027-I1030 PolarHBondContact O-N 2.87Å; D1027-I1030 VanDerWaalsContact O-N 3.14Å; H1028-I1030 VanDerWaalsContact C-N 3.31Å
1031I81Confident83.8Confident2 Ų256.7 Ų56.71%0.0129%0.291CS..SBendtrans-123.4124.5177.3-43.7178.7000109.5L1013 P1014 I1019 A1022 I1023 D1027 I1036 L1039 W1088L1013-I1031 HydrophobicContact CD2-CG2 4.45Å; P1014-I1031 HydrophobicContact CG-CG1 4.33Å; I1019-I1031 HydrophobicContact CB-CD1 4.35Å; I1019-I1031 HydrophobicContact CG1-CD1 4.36Å; I1019-I1031 HydrophobicContact CG2-CD1 3.99Å; A1022-I1031 HydrophobicContact CB-CD1 3.86Å; A1022-I1031 HydrophobicContact CB-CG1 3.81Å; I1023-I1031 HydrophobicContact CG1-CD1 4.11Å; D1027-I1031 PolarHBondContact O-N 3.32Å; I1031-I1036 HydrophobicContact CG2-CG1 4.05Å; I1031-L1039 HydrophobicContact CD1-CD1 4.25Å; I1031-W1088 HydrophobicContact CB-CH2 3.82Å; I1031-W1088 HydrophobicContact CB-CZ3 4.46Å; I1031-W1088 HydrophobicContact CD1-CH2 4.12Å; I1031-W1088 HydrophobicContact CD1-CZ3 4.13Å; I1031-W1088 HydrophobicContact CG1-CH2 4.14Å
1032N82.6Confident83.6Confident88 Ų8856.3 Ų56.347%0.47129%0.286SS..  trans-78.5170.9174.269.3-6.2000112.1E1034 G1035 I1036N1032-E1034 VanDerWaalsContact C-N 3.33Å; N1032-E1034 PolarHBondContact O-N 2.74Å; N1032-G1035 PolarHBondContact O-N 3.03Å; N1032-G1035 VanDerWaalsContact O-N 3.09Å; N1032-G1035 PolarHBondContact OD1-N 2.83Å; N1032-I1036 PolarHBondContact O-N 2.88Å
1033R85Confident83.4Confident111 Ų11156.3 Ų56.342%0.41929%0.286SS..Hα-helixtrans-47.1-53.3175.6178.1-158.7161.4130.717.6112.2G1035 I1036 E1037 L1089 L1092 D1093R1033-G1035 VanDerWaalsContact C-N 3.27Å; R1033-G1035 PolarHBondContact O-N 3.32Å; R1033-I1036 WeakPolarHBondContact O-CB 3.38Å; R1033-I1036 PolarHBondContact O-N 3.41Å; R1033-I1036 VanDerWaalsContact O-N 3.07Å; R1033-E1037 IonicContact CZ-OE1 2.72Å; R1033-E1037 IonicContact NE-OE1 3.82Å; R1033-E1037 PolarHBondContact NE-OE1 2.98Å; R1033-E1037 IonicContact NE-OE2 2.82Å; R1033-E1037 IonicContact NH2-OE1 2.72Å; R1033-E1037 PolarHBondContact NH2-OE1 3.09Å; R1033-E1037 PolarHBondContact O-N 3.21Å; R1033-L1089 HydrophobicContact CG-CD1 3.8Å; R1033-L1092 HydrophobicContact CB-CD1 4.44Å; R1033-D1093 VanDerWaalsContact CD-OD1 3.29Å; R1033-D1093 WeakPolarHBondContact CD-OD1 3.34Å; R1033-D1093 IonicContact CZ-OD1 3.87Å; R1033-D1093 IonicContact CZ-OD2 3.63Å; R1033-D1093 IonicContact NE-OD1 2.63Å; R1033-D1093 PolarHBondContact NE-OD1 3.23Å; R1033-D1093 IonicContact NE-OD2 3.7Å; R1033-D1093 IonicContact NH1-OD1 3.63Å; R1033-D1093 PolarHBondContact NH1-OD1 2.93Å; R1033-D1093 IonicContact NH1-OD2 2.71Å; R1033-D1093 PolarHBondContact NH1-OD2 3.5Å; R1033-D1093 IonicContact NH2-OD1 3.6Å; R1033-D1093 IonicContact NH2-OD2 3.54Å; R1033-D1093 PolarHBondContact NH2-OD2 3.3Å
1034E84.9Confident83.4Confident98 Ų9858 Ų5846%0.45830%0.295SS..Hα-helixtrans-59-36.9-178.6-67.4-177.7-139.800113N1032 I1036 E1037 K1038N1032-E1034 VanDerWaalsContact C-N 3.33Å; N1032-E1034 PolarHBondContact O-N 2.74Å; E1034-I1036 VanDerWaalsContact C-N 3.33Å; E1034-E1037 PolarHBondContact O-N 2.88Å; E1034-K1038 WeakPolarHBondContact O-CB 3.37Å; E1034-K1038 WeakPolarHBondContact O-CD 3.49Å; E1034-K1038 WeakPolarHBondContact O-CG 3.5Å; E1034-K1038 PolarHBondContact O-N 3.23Å; E1034-K1038 IonicContact OE2-NZ 3.29Å; E1034-K1038 PolarHBondContact OE2-NZ 3.36Å
1035G84.9Confident83.3Confident1 Ų154.4 Ų54.41%0.0128%0.277CS..Hα-helixtrans-64-39.7176.800000111.9L1013 N1032 R1033 K1038 L1039L1013-G1035 VanDerWaalsContact CD2-CA 3.4Å; N1032-G1035 PolarHBondContact O-N 3.03Å; N1032-G1035 VanDerWaalsContact O-N 3.09Å; N1032-G1035 PolarHBondContact OD1-N 2.83Å; R1033-G1035 VanDerWaalsContact C-N 3.27Å; R1033-G1035 PolarHBondContact O-N 3.32Å; G1035-K1038 PolarHBondContact O-N 2.57Å; G1035-L1039 WeakPolarHBondContact O-CB 3.22Å; G1035-L1039 WeakPolarHBondContact O-CD1 3.47Å; G1035-L1039 WeakPolarHBondContact O-CG 3.47Å; G1035-L1039 PolarHBondContact O-N 3.16Å
1036I88.1Confident83.5Confident0 Ų050.8 Ų50.80%027%0.267CS..Hα-helixtrans-67.4-42.1175.5-60.7158.1000110.6I1031 N1032 R1033 E1034 L1039 L1040 L1085 W1088 L1089 L1092I1031-I1036 HydrophobicContact CG2-CG1 4.05Å; N1032-I1036 PolarHBondContact O-N 2.88Å; R1033-I1036 WeakPolarHBondContact O-CB 3.38Å; R1033-I1036 PolarHBondContact O-N 3.41Å; R1033-I1036 VanDerWaalsContact O-N 3.07Å; E1034-I1036 VanDerWaalsContact C-N 3.33Å; I1036-L1039 PolarHBondContact O-N 2.91Å; I1036-L1040 HydrophobicContact CG2-CD1 4.18Å; I1036-L1040 WeakPolarHBondContact O-CB 3.29Å; I1036-L1040 WeakPolarHBondContact O-CG 3.41Å; I1036-L1040 PolarHBondContact O-N 2.87Å; I1036-L1085 HydrophobicContact CG2-CB 4.32Å; I1036-L1085 HydrophobicContact CG2-CD2 4.08Å; I1036-W1088 HydrophobicContact CD1-CD2 3.52Å; I1036-W1088 HydrophobicContact CD1-CE3 3.84Å; I1036-W1088 HydrophobicContact CD1-CG 3.9Å; I1036-W1088 HydrophobicContact CD1-CH2 4.19Å; I1036-W1088 HydrophobicContact CD1-CZ2 3.87Å; I1036-W1088 HydrophobicContact CD1-CZ3 4.17Å; I1036-W1088 HydrophobicContact CG1-CD2 4.22Å; I1036-W1088 HydrophobicContact CG1-CE3 4.02Å; I1036-W1088 HydrophobicContact CG1-CH2 4.45Å; I1036-W1088 HydrophobicContact CG1-CZ3 4.15Å; I1036-L1089 HydrophobicContact CG2-CB 3.92Å; I1036-L1092 HydrophobicContact CD1-CD1 3.47Å; I1036-L1092 VanDerWaalsContact CD1-CD1 3.47Å
1037E86.5Confident83.5Confident59 Ų5956.4 Ų56.428%0.27630%0.297SS..Hα-helixtrans-63.5-41.6174.4-71.6178.7169.800112.6R1033 E1034 L1040 T1041 L1089R1033-E1037 IonicContact CZ-OE1 2.72Å; R1033-E1037 IonicContact NE-OE1 3.82Å; R1033-E1037 PolarHBondContact NE-OE1 2.98Å; R1033-E1037 IonicContact NE-OE2 2.82Å; R1033-E1037 IonicContact NH2-OE1 2.72Å; R1033-E1037 PolarHBondContact NH2-OE1 3.09Å; R1033-E1037 PolarHBondContact O-N 3.21Å; E1034-E1037 PolarHBondContact O-N 2.88Å; E1037-L1040 PolarHBondContact O-N 2.75Å; E1037-T1041 VanDerWaalsContact O-CB 3.25Å; E1037-T1041 WeakPolarHBondContact O-CB 3.48Å; E1037-T1041 PolarHBondContact O-N 3.5Å; E1037-T1041 PolarHBondContact O-OG1 2.94Å; E1037-L1089 HydrophobicContact CG-CD1 3.81Å; E1037-L1089 HydrophobicContact CG-CD2 3.81Å; E1037-L1089 HydrophobicContact CG-CG 4.5Å
1038K84.9Confident83.6Confident56 Ų5662.4 Ų62.424%0.24332%0.324CS..Hα-helixtrans-66.3-38.4176.1-72161-167.6165.70111.4E1034 G1035 T1042 M1043E1034-K1038 WeakPolarHBondContact O-CB 3.37Å; E1034-K1038 WeakPolarHBondContact O-CD 3.49Å; E1034-K1038 WeakPolarHBondContact O-CG 3.5Å; E1034-K1038 PolarHBondContact O-N 3.23Å; E1034-K1038 IonicContact OE2-NZ 3.29Å; E1034-K1038 PolarHBondContact OE2-NZ 3.36Å; G1035-K1038 PolarHBondContact O-N 2.57Å; K1038-T1042 VanDerWaalsContact O-CB 3.31Å; K1038-T1042 WeakPolarHBondContact O-CB 3.41Å; K1038-T1042 PolarHBondContact O-N 3.32Å; K1038-M1043 PolarHBondContact O-N 2.8Å
1039L88.1Confident84Confident1 Ų157.3 Ų57.31%0.00530%0.3CS..Hα-helixtrans-61.5-48.3171.9-75165.5000111.5L1013 I1019 I1023 I1031 G1035 I1036 M1043 L1044 F1071 L1075 L1085L1013-L1039 HydrophobicContact CD1-CD2 3.8Å; L1013-L1039 HydrophobicContact CD1-CG 4Å; I1019-L1039 HydrophobicContact CG2-CD1 4.37Å; I1023-L1039 HydrophobicContact CD1-CD1 4.18Å; I1031-L1039 HydrophobicContact CD1-CD1 4.25Å; G1035-L1039 WeakPolarHBondContact O-CB 3.22Å; G1035-L1039 WeakPolarHBondContact O-CD1 3.47Å; G1035-L1039 WeakPolarHBondContact O-CG 3.47Å; G1035-L1039 PolarHBondContact O-N 3.16Å; I1036-L1039 PolarHBondContact O-N 2.91Å; L1039-M1043 HydrophobicContact CD2-CB 4.43Å; L1039-M1043 HydrophobicContact CD2-SD 4.01Å; L1039-M1043 CarbonylContact O-C 3.16Å; L1039-M1043 PolarHBondContact O-N 3.34Å; L1039-L1044 PolarHBondContact O-N 3.36Å; L1039-F1071 HydrophobicContact CD2-CE1 4.09Å; L1039-F1071 HydrophobicContact CD2-CZ 3.8Å; L1039-L1075 HydrophobicContact CD2-CD1 4.02Å; L1039-L1075 HydrophobicContact CD2-CD2 4.39Å; L1039-L1085 HydrophobicContact CB-CD1 3.99Å; L1039-L1085 HydrophobicContact CB-CD2 4.42Å; L1039-L1085 HydrophobicContact CD1-CD2 4.03Å
1040L88Confident84.2Confident31 Ų3153.4 Ų53.416%0.16227%0.273CS..Hα-helixtrans-66.4-44.5-179.7-77.7170.2000113.6I1036 E1037 L1044 L1085 E1086 L1089I1036-L1040 HydrophobicContact CG2-CD1 4.18Å; I1036-L1040 WeakPolarHBondContact O-CB 3.29Å; I1036-L1040 WeakPolarHBondContact O-CG 3.41Å; I1036-L1040 PolarHBondContact O-N 2.87Å; E1037-L1040 PolarHBondContact O-N 2.75Å; L1040-L1044 HydrophobicContact CD2-CD1 3.91Å; L1040-L1085 HydrophobicContact CD1-CB 4.15Å; L1040-L1085 HydrophobicContact CD2-CB 3.54Å; L1040-L1085 HydrophobicContact CD2-CD1 4.13Å; L1040-L1085 HydrophobicContact CG-CB 3.77Å; L1040-L1085 HydrophobicContact CG-CD1 4.31Å; L1040-E1086 HydrophobicContact CD1-CG 4.22Å; L1040-E1086 HydrophobicContact CD2-CG 3.76Å; L1040-L1089 HydrophobicContact CD1-CB 4.39Å; L1040-L1089 HydrophobicContact CD1-CD2 3.85Å
1041T84.2Confident84.5Confident116 Ų11657.8 Ų57.871%0.71229%0.292SS*.Hα-helixtrans-82.5-35.7-171.6-49.10000112.2E1037E1037-T1041 VanDerWaalsContact O-CB 3.25Å; E1037-T1041 WeakPolarHBondContact O-CB 3.48Å; E1037-T1041 PolarHBondContact O-N 3.5Å; E1037-T1041 PolarHBondContact O-OG1 2.94Å
1042T80Confident84.7Confident46 Ų4659.6 Ų59.628%0.28231%0.307SS..Hα-helixtrans-120.2-26-163.5-500000113.8R1002 A1005 K1038R1002-T1042 PolarHBondContact NH1-O 2.95Å; A1005-T1042 HydrophobicContact CB-CG2 3.69Å; K1038-T1042 VanDerWaalsContact O-CB 3.31Å; K1038-T1042 WeakPolarHBondContact O-CB 3.41Å; K1038-T1042 PolarHBondContact O-N 3.32Å
1043M80.9Confident84.8Confident0 Ų055.4 Ų55.40%029%0.285CS..  trans-124.74.8-168.2-50.4-177.1-177.800115.6I1006 L1013 K1038 L1039 P1045 F1071 L1072I1006-M1043 HydrophobicContact CG1-CB 4.42Å; I1006-M1043 HydrophobicContact CG1-CG 4.22Å; I1006-M1043 HydrophobicContact CG2-CG 4.46Å; L1013-M1043 HydrophobicContact CD1-CE 3.6Å; L1013-M1043 HydrophobicContact CD1-SD 3.48Å; L1013-M1043 WeakPolarHBondContact CD1-SD 3.27Å; L1013-M1043 HydrophobicContact CG-CE 4.39Å; K1038-M1043 PolarHBondContact O-N 2.8Å; L1039-M1043 HydrophobicContact CD2-CB 4.43Å; L1039-M1043 HydrophobicContact CD2-SD 4.01Å; L1039-M1043 CarbonylContact O-C 3.16Å; L1039-M1043 PolarHBondContact O-N 3.34Å; M1043-P1045 WeakPolarHBondContact O-CD 2.93Å; M1043-P1045 VanDerWaalsContact O-N 3.16Å; M1043-F1071 HydrophobicContact CB-CE1 4.08Å; M1043-F1071 HydrophobicContact CG-CE1 4.4Å; M1043-F1071 HydrophobicContact SD-CD1 4.22Å; M1043-F1071 HydrophobicContact SD-CE1 3.46Å; M1043-F1071 WeakPolarHBondContact SD-CE1 3.33Å; M1043-F1071 HydrophobicContact SD-CZ 4.21Å; M1043-L1072 WeakPolarHBondContact O-CD2 3.44Å
1044L86.2Confident84.8Confident37 Ų3755.1 Ų55.119%0.19429%0.29CS..  trans-65115.5-179.6-136.6168.5000109R1002 L1039 L1040 L1081 K1082R1002-L1044 PolarHBondContact NH2-O 3.3Å; L1039-L1044 PolarHBondContact O-N 3.36Å; L1040-L1044 HydrophobicContact CD2-CD1 3.91Å; L1044-L1081 HydrophobicContact CD2-CD2 4.42Å; L1044-K1082 HydrophobicContact CD1-CB 3.83Å; L1044-K1082 HydrophobicContact CD1-CD 3.82Å; L1044-K1082 HydrophobicContact CD1-CG 3.87Å; L1044-K1082 HydrophobicContact CD2-CB 4Å; L1044-K1082 HydrophobicContact CG-CB 4.45Å
1045P83.9Confident84.8Confident18 Ų1856.5 Ų56.512%0.11729%0.294CS..  trans-64.2139.5179.424.7-34.5000111.1M1043 L1072 L1075 L1081M1043-P1045 WeakPolarHBondContact O-CD 2.93Å; M1043-P1045 VanDerWaalsContact O-N 3.16Å; P1045-L1072 HydrophobicContact CB-CB 4.14Å; P1045-L1072 HydrophobicContact CB-CD2 4.08Å; P1045-L1072 HydrophobicContact CB-CG 4.47Å; P1045-L1075 HydrophobicContact CG-CB 4.1Å; P1045-L1081 HydrophobicContact CG-CD2 3.96Å
1046T85.7Confident84.6Confident62 Ų6257 Ų5738%0.3830%0.299SS..  trans-89.9159.4164.677.90000111E1048 E1049 C1050T1046-E1048 VanDerWaalsContact C-N 3.33Å; T1046-E1049 PolarHBondContact N-OE2 2.94Å; T1046-E1049 PolarHBondContact O-N 3.45Å; T1046-E1049 WeakPolarHBondContact OG1-CB 3.13Å; T1046-E1049 VanDerWaalsContact OG1-CG 3.24Å; T1046-E1049 WeakPolarHBondContact OG1-CG 2.92Å; T1046-E1049 PolarHBondContact OG1-N 2.85Å; T1046-C1050 PolarHBondContact O-N 3.22Å; T1046-C1050 PolarHBondContact O-SG 2.98Å
1047D81.5Confident84.3Confident136 Ų13663 Ų6373%0.72733%0.325SS*.Hα-helixtrans-63.9-40.7175.7-57.2-49.6000110.8E1049 C1050 E1051D1047-E1049 PolarHBondContact O-N 3.41Å; D1047-C1050 PolarHBondContact O-N 3.39Å; D1047-E1051 PolarHBondContact O-N 3.15Å
1048E83.2Confident84Confident162 Ų16263.8 Ų63.876%0.75734%0.341SS*.Hα-helixtrans-60.5-42.6175.1-63.3-179.5179.400112.6T1046 A1052T1046-E1048 VanDerWaalsContact C-N 3.33Å; E1048-A1052 WeakPolarHBondContact O-CB 3.04Å; E1048-A1052 PolarHBondContact O-N 2.94Å
1049E86.5Confident83.7Confident29 Ų2967.4 Ų67.414%0.13636%0.359CS..Hα-helixtrans-63.4-42.4174.1-73.9172.3151.200111.2L998 R1002 T1046 D1047 A1052 I1053 L1072L998-E1049 HydrophobicContact CD2-CB 4.05Å; L998-E1049 HydrophobicContact CD2-CG 3.6Å; L998-E1049 WeakPolarHBondContact CD2-OE1 2.78Å; R1002-E1049 IonicContact CZ-OE1 3.23Å; R1002-E1049 VanDerWaalsContact CZ-OE1 3.29Å; R1002-E1049 IonicContact CZ-OE2 3.85Å; R1002-E1049 IonicContact NE-OE1 2.66Å; R1002-E1049 PolarHBondContact NE-OE1 3.25Å; R1002-E1049 IonicContact NE-OE2 3.68Å; R1002-E1049 VanDerWaalsContact NH2-CD 3.27Å; R1002-E1049 IonicContact NH2-OE1 2.76Å; R1002-E1049 PolarHBondContact NH2-OE1 3.44Å; R1002-E1049 IonicContact NH2-OE2 3.35Å; R1002-E1049 PolarHBondContact NH2-OE2 3.39Å; T1046-E1049 PolarHBondContact N-OE2 2.94Å; T1046-E1049 PolarHBondContact O-N 3.45Å; T1046-E1049 WeakPolarHBondContact OG1-CB 3.13Å; T1046-E1049 VanDerWaalsContact OG1-CG 3.24Å; T1046-E1049 WeakPolarHBondContact OG1-CG 2.92Å; T1046-E1049 PolarHBondContact OG1-N 2.85Å; D1047-E1049 PolarHBondContact O-N 3.41Å; E1049-A1052 PolarHBondContact O-N 2.95Å; E1049-I1053 VanDerWaalsContact O-CB 3.29Å; E1049-I1053 WeakPolarHBondContact O-CB 3.26Å; E1049-I1053 WeakPolarHBondContact O-CD1 3.42Å; E1049-I1053 WeakPolarHBondContact O-CG1 3.48Å; E1049-I1053 PolarHBondContact O-N 3.11Å; E1049-L1072 HydrophobicContact CB-CD1 4.31Å
1050C83.4Confident82.6Confident13 Ų1371.7 Ų71.79%0.08838%0.379CS..Hα-helixtrans-65.7-46.4178.9-68.90000112T1046 D1047 I1053 M1054 S1076T1046-C1050 PolarHBondContact O-N 3.22Å; T1046-C1050 PolarHBondContact O-SG 2.98Å; D1047-C1050 PolarHBondContact O-N 3.39Å; C1050-I1053 PolarHBondContact O-N 3.01Å; C1050-M1054 WeakPolarHBondContact O-CB 3.38Å; C1050-M1054 VanDerWaalsContact O-CG 3.28Å; C1050-M1054 WeakPolarHBondContact O-CG 3.33Å; C1050-M1054 PolarHBondContact O-N 2.82Å; C1050-S1076 VanDerWaalsContact SG-CB 3.51Å
1051E85.1Confident81.4Confident147 Ų14777.4 Ų77.469%0.68741%0.409SS*.Hα-helixtrans-62.3-44.4175.6-73.5-170.7-178.500111.4D1047 M1054 K1055D1047-E1051 PolarHBondContact O-N 3.15Å; E1051-M1054 PolarHBondContact O-N 3.31Å; E1051-K1055 WeakPolarHBondContact O-CB 3.18Å; E1051-K1055 PolarHBondContact O-N 3.19Å
1052A85.8Confident80.6Confident40 Ų4075.7 Ų75.733%0.33142%0.415SS..Hα-helixtrans-63.2-42.317700000112.2V997 E1048 E1049 A1056V997-A1052 HydrophobicContact CG1-CB 3.69Å; E1048-A1052 WeakPolarHBondContact O-CB 3.04Å; E1048-A1052 PolarHBondContact O-N 2.94Å; E1049-A1052 PolarHBondContact O-N 2.95Å; A1052-A1056 WeakPolarHBondContact O-CB 3.04Å; A1052-A1056 PolarHBondContact O-N 3.32Å
1053I85Confident80Confident1 Ų179 Ų791%0.00543%0.43CS..Hα-helixtrans-67.4-43.1177.2-70.5163000111.1V997 L998 E1049 C1050 K1057 L1065 E1069 L1072 V1073V997-I1053 HydrophobicContact CB-CG1 3.97Å; V997-I1053 HydrophobicContact CG1-CG1 4.15Å; V997-I1053 HydrophobicContact CG2-CG1 4.25Å; L998-I1053 HydrophobicContact CD2-CD1 4.22Å; L998-I1053 HydrophobicContact CG-CD1 4.37Å; E1049-I1053 VanDerWaalsContact O-CB 3.29Å; E1049-I1053 WeakPolarHBondContact O-CB 3.26Å; E1049-I1053 WeakPolarHBondContact O-CD1 3.42Å; E1049-I1053 WeakPolarHBondContact O-CG1 3.48Å; E1049-I1053 PolarHBondContact O-N 3.11Å; C1050-I1053 PolarHBondContact O-N 3.01Å; I1053-K1057 WeakPolarHBondContact O-CB 2.75Å; I1053-K1057 PolarHBondContact O-N 3.11Å; I1053-L1065 HydrophobicContact CG2-CD1 3.68Å; I1053-L1065 HydrophobicContact CG2-CD2 3.92Å; I1053-L1065 HydrophobicContact CG2-CG 4.47Å; I1053-E1069 HydrophobicContact CD1-CB 3.98Å; I1053-E1069 HydrophobicContact CD1-CG 3.92Å; I1053-E1069 HydrophobicContact CG1-CB 4.2Å; I1053-E1069 HydrophobicContact CG1-CG 3.94Å; I1053-E1069 HydrophobicContact CG2-CB 4.29Å; I1053-L1072 HydrophobicContact CD1-CB 4.31Å; I1053-L1072 HydrophobicContact CD1-CD1 4.19Å; I1053-V1073 HydrophobicContact CB-CG2 4.42Å; I1053-V1073 HydrophobicContact CG2-CG2 3.55Å
1054M82.9Confident79.6Confident105 Ų10583.7 Ų83.752%0.51746%0.461SS..Hα-helixtrans-65.8-40.4176.8-71.6-171.9-166.300111.8C1050 E1051 A1058C1050-M1054 WeakPolarHBondContact O-CB 3.38Å; C1050-M1054 VanDerWaalsContact O-CG 3.28Å; C1050-M1054 WeakPolarHBondContact O-CG 3.33Å; C1050-M1054 PolarHBondContact O-N 2.82Å; E1051-M1054 PolarHBondContact O-N 3.31Å; M1054-A1058 PolarHBondContact O-N 2.6Å; M1054-A1058 VanDerWaalsContact O-N 3.1Å
1055K85.4Confident79.4Confident126 Ų12683.6 Ų83.655%0.54846%0.461SS..Hα-helixtrans-65.3-51.1175.2179.8-179.3170-176.30111.7E1051 K1057 A1058 E1059E1051-K1055 WeakPolarHBondContact O-CB 3.18Å; E1051-K1055 PolarHBondContact O-N 3.19Å; K1055-K1057 VanDerWaalsContact C-N 3.25Å; K1055-K1057 PolarHBondContact O-N 3.13Å; K1055-A1058 CarbonylContact O-C 3.23Å; K1055-A1058 WeakPolarHBondContact O-CA 3.46Å; K1055-A1058 PolarHBondContact O-N 2.69Å; K1055-E1059 VanDerWaalsContact CE-CD 3.4Å; K1055-E1059 WeakPolarHBondContact CE-OE1 3.47Å; K1055-E1059 HydrophobicContact CG-CG 4.34Å; K1055-E1059 IonicContact NZ-OE1 3.69Å; K1055-E1059 WeakPolarHBondContact O-CG 3.27Å; K1055-E1059 PolarHBondContact O-N 3.28Å
1056A81.6Confident79.2Confident13 Ų1383 Ų8311%0.10746%0.457CS..Hα-helixtrans-60.2-37.2178.700000111.8V997 A1052 A1058 E1059 Q1060V997-A1056 HydrophobicContact CG1-CB 4.49Å; V997-A1056 HydrophobicContact CG2-CB 3.61Å; A1052-A1056 WeakPolarHBondContact O-CB 3.04Å; A1052-A1056 PolarHBondContact O-N 3.32Å; A1056-A1058 VanDerWaalsContact C-N 3.33Å; A1056-A1058 PolarHBondContact O-N 3.08Å; A1056-E1059 PolarHBondContact O-N 3.33Å; A1056-Q1060 WeakPolarHBondContact O-CB 3.27Å; A1056-Q1060 PolarHBondContact O-N 3.24Å
1057K81.5Confident79.2Confident126 Ų12684.6 Ų84.655%0.54846%0.461SS..Hα-helixtrans-63.3-35.8172.8-174.2-176.7177.6-1730112.8I1053 K1055 L1065I1053-K1057 WeakPolarHBondContact O-CB 2.75Å; I1053-K1057 PolarHBondContact O-N 3.11Å; K1055-K1057 VanDerWaalsContact C-N 3.25Å; K1055-K1057 PolarHBondContact O-N 3.13Å; K1057-L1065 HydrophobicContact CB-CD2 4.49Å; K1057-L1065 HydrophobicContact CD-CD1 4.28Å
1058A81Confident79.4Confident74 Ų7478.1 Ų78.161%0.61243%0.426SS*.Hα-helixtrans-80.4-22.9175.800000113.6M1054 K1055 A1056M1054-A1058 PolarHBondContact O-N 2.6Å; M1054-A1058 VanDerWaalsContact O-N 3.1Å; K1055-A1058 CarbonylContact O-C 3.23Å; K1055-A1058 WeakPolarHBondContact O-CA 3.46Å; K1055-A1058 PolarHBondContact O-N 2.69Å; A1056-A1058 VanDerWaalsContact C-N 3.33Å; A1056-A1058 PolarHBondContact O-N 3.08Å
1059E77.4Confident79.7Confident132 Ų13270.4 Ų70.462%0.61739%0.39SS*.Hα-helixtrans-87.4-23.5175.4-71.3178.9159.900113K1055 A1056K1055-E1059 VanDerWaalsContact CE-CD 3.4Å; K1055-E1059 WeakPolarHBondContact CE-OE1 3.47Å; K1055-E1059 HydrophobicContact CG-CG 4.34Å; K1055-E1059 IonicContact NZ-OE1 3.69Å; K1055-E1059 WeakPolarHBondContact O-CG 3.27Å; K1055-E1059 PolarHBondContact O-N 3.28Å; A1056-E1059 PolarHBondContact O-N 3.33Å
1060Q64.7Low79.7Confident91 Ų9174.4 Ų74.443%0.42541%0.409SS..SBendtrans-124.849.5-177.1-58-172.113.600112.5I995 A1056 G1062 L1063I995-Q1060 HydrophobicContact CD1-CB 4.49Å; A1056-Q1060 WeakPolarHBondContact O-CB 3.27Å; A1056-Q1060 PolarHBondContact O-N 3.24Å; Q1060-G1062 PolarHBondContact O-N 2.89Å; Q1060-L1063 PolarHBondContact O-N 2.85Å
1061D63.8Low79.9Confident151 Ų15173.9 Ų73.981%0.80741%0.405SS*.THydrogen-bonded Turntrans-51.6111.2173.8-107.4-27.8000111.1
1062G66.8Low80.1Confident81 Ų8166.9 Ų66.984%0.83537%0.372SS*.THydrogen-bonded Turntrans120.5-17.7176.100000116.1Q1060Q1060-G1062 PolarHBondContact O-N 2.89Å
1063L66.9Low80.1Confident114 Ų11467.1 Ų67.160%0.59737%0.369SS*.SBendtrans-92.3142.8172.4-80.6167.8000111I995 Q1060I995-L1063 HydrophobicContact CD1-CB 3.52Å; I995-L1063 WeakPolarHBondContact CD1-O 3.49Å; I995-L1063 HydrophobicContact CG1-CB 3.77Å; Q1060-L1063 PolarHBondContact O-N 2.85Å
1064P74.3Confident80.1Confident99 Ų9969.3 Ų69.364%0.64338%0.383SS*.PPolyproline II helixtrans-75.5133.8178.730.2-33.5000111.3I995I995-P1064 WeakPolarHBondContact CG1-O 3.37Å
1065L80.1Confident80.4Confident36 Ų3664.4 Ų64.419%0.18836%0.359CS..BIsolated β-bridgetrans-56.1144.6163.3-72.3-179000110.2I995 I1053 K1057 E1069I995-L1065 HydrophobicContact CD1-CD2 4.49Å; I995-L1065 HydrophobicContact CG2-CD2 4.41Å; I1053-L1065 HydrophobicContact CG2-CD1 3.68Å; I1053-L1065 HydrophobicContact CG2-CD2 3.92Å; I1053-L1065 HydrophobicContact CG2-CG 4.47Å; K1057-L1065 HydrophobicContact CB-CD2 4.49Å; K1057-L1065 HydrophobicContact CD-CD1 4.28Å; L1065-E1069 HydrophobicContact CB-CB 3.97Å; L1065-E1069 HydrophobicContact CD1-CB 4.45Å; L1065-E1069 HydrophobicContact CD2-CB 4.17Å; L1065-E1069 HydrophobicContact CG-CB 4.43Å
1066G81.4Confident80.3Confident5 Ų560.6 Ų60.65%0.05235%0.348CS..PPolyproline II helixtrans-58158.516900000112.6I995 A1068 E1069 Q1070I995-G1066 PolarHBondContact O-N 3.29Å; G1066-A1068 PolarHBondContact O-N 3.49Å; G1066-E1069 WeakPolarHBondContact CA-OE2 3.3Å; G1066-E1069 PolarHBondContact O-N 3.38Å; G1066-E1069 VanDerWaalsContact O-N 3.14Å; G1066-Q1070 PolarHBondContact O-N 3.28Å
1067Q84.9Confident80.5Confident96 Ų9664.1 Ų64.145%0.44938%0.377SS..Hα-helixtrans-61.5-28.8-177.1-177.763.268.100112.5N1007 L1010 F1071N1007-Q1067 WeakPolarHBondContact OD1-CB 3.47Å; L1010-Q1067 HydrophobicContact CD1-CG 4.16Å; Q1067-F1071 WeakPolarHBondContact O-CB 3.49Å; Q1067-F1071 PolarHBondContact O-N 3.49Å
1068A86.7Confident80.7Confident0 Ų058.7 Ų58.70%035%0.354CS..Hα-helixtrans-74.6-47.1173.100000111.8L998 I1006 N1007 G1066 Q1070 F1071 L1072L998-A1068 HydrophobicContact CD1-CB 3.85Å; I1006-A1068 HydrophobicContact CB-CB 3.72Å; I1006-A1068 HydrophobicContact CD1-CB 4.08Å; I1006-A1068 HydrophobicContact CG2-CB 3.6Å; N1007-A1068 PolarHBondContact OD1-N 3.24Å; G1066-A1068 PolarHBondContact O-N 3.49Å; A1068-Q1070 PolarHBondContact O-N 2.61Å; A1068-F1071 WeakPolarHBondContact O-CA 3.49Å; A1068-F1071 WeakPolarHBondContact O-CB 3.42Å; A1068-F1071 PolarHBondContact O-N 3.21Å; A1068-L1072 PolarHBondContact O-N 2.65Å
1069E88Confident80.9Confident0 Ų058.9 Ų58.90%035%0.351CS..Hα-helixtrans-60-44.6178.9-71.574-174.400112E996 V997 L998 I1053 L1065 G1066 F1071 L1072 V1073E996-E1069 WeakPolarHBondContact CA-OE1 3.13Å; V997-E1069 HydrophobicContact CB-CG 4.34Å; V997-E1069 HydrophobicContact CG2-CG 4.42Å; V997-E1069 PolarHBondContact N-OE1 2.98Å; L998-E1069 WeakPolarHBondContact CB-OE1 3.38Å; L998-E1069 HydrophobicContact CD1-CG 4.06Å; L998-E1069 HydrophobicContact CG-CG 4.04Å; L998-E1069 WeakPolarHBondContact CG-OE1 3.41Å; L998-E1069 PolarHBondContact N-OE1 2.88Å; I1053-E1069 HydrophobicContact CD1-CB 3.98Å; I1053-E1069 HydrophobicContact CD1-CG 3.92Å; I1053-E1069 HydrophobicContact CG1-CB 4.2Å; I1053-E1069 HydrophobicContact CG1-CG 3.94Å; I1053-E1069 HydrophobicContact CG2-CB 4.29Å; L1065-E1069 HydrophobicContact CB-CB 3.97Å; L1065-E1069 HydrophobicContact CD1-CB 4.45Å; L1065-E1069 HydrophobicContact CD2-CB 4.17Å; L1065-E1069 HydrophobicContact CG-CB 4.43Å; G1066-E1069 WeakPolarHBondContact CA-OE2 3.3Å; G1066-E1069 PolarHBondContact O-N 3.38Å; G1066-E1069 VanDerWaalsContact O-N 3.14Å; E1069-F1071 VanDerWaalsContact C-N 3.26Å; E1069-F1071 PolarHBondContact O-N 3.4Å; E1069-L1072 PolarHBondContact O-N 2.58Å; E1069-V1073 WeakPolarHBondContact O-CG2 3.25Å; E1069-V1073 PolarHBondContact O-N 3.35Å
1070Q87Confident81.4Confident112 Ų11256.7 Ų56.752%0.52334%0.341SS..Hα-helixtrans-62.1-35.4173.9-175.8-179.564.100111.9G1066 A1068 T1074G1066-Q1070 PolarHBondContact O-N 3.28Å; A1068-Q1070 PolarHBondContact O-N 2.61Å; Q1070-T1074 PolarHBondContact O-N 2.97Å; Q1070-T1074 PolarHBondContact O-OG1 3.29Å
1071F88.2Confident82.5Confident2 Ų253 Ų531%0.00932%0.324CS..Hα-helixtrans-71.6-44.1179.3-178.5-114.7000112.5I1006 L1010 P1016 I1019 L1039 M1043 Q1067 A1068 E1069 V1073 T1074 L1075I1006-F1071 HydrophobicContact CG2-CD1 3.92Å; L1010-F1071 HydrophobicContact CD1-CB 4.04Å; L1010-F1071 HydrophobicContact CD1-CD1 4.33Å; L1010-F1071 HydrophobicContact CD1-CG 4.13Å; L1010-F1071 HydrophobicContact CD2-CD1 3.95Å; L1010-F1071 HydrophobicContact CD2-CD2 3.86Å; L1010-F1071 HydrophobicContact CD2-CE1 4.04Å; L1010-F1071 HydrophobicContact CD2-CE2 3.97Å; L1010-F1071 HydrophobicContact CD2-CG 3.84Å; L1010-F1071 HydrophobicContact CD2-CZ 4.04Å; L1010-F1071 HydrophobicContact CG-CD1 4.34Å; L1010-F1071 HydrophobicContact CG-CG 4.43Å; P1016-F1071 HydrophobicContact CB-CD2 3.95Å; P1016-F1071 HydrophobicContact CB-CE2 4.25Å; P1016-F1071 HydrophobicContact CG-CD2 4.19Å; I1019-F1071 HydrophobicContact CD1-CE2 3.83Å; I1019-F1071 HydrophobicContact CD1-CZ 3.98Å; L1039-F1071 HydrophobicContact CD2-CE1 4.09Å; L1039-F1071 HydrophobicContact CD2-CZ 3.8Å; M1043-F1071 HydrophobicContact CB-CE1 4.08Å; M1043-F1071 HydrophobicContact CG-CE1 4.4Å; M1043-F1071 HydrophobicContact SD-CD1 4.22Å; M1043-F1071 HydrophobicContact SD-CE1 3.46Å; M1043-F1071 WeakPolarHBondContact SD-CE1 3.33Å; M1043-F1071 HydrophobicContact SD-CZ 4.21Å; Q1067-F1071 WeakPolarHBondContact O-CB 3.49Å; Q1067-F1071 PolarHBondContact O-N 3.49Å; A1068-F1071 WeakPolarHBondContact O-CA 3.49Å; A1068-F1071 WeakPolarHBondContact O-CB 3.42Å; A1068-F1071 PolarHBondContact O-N 3.21Å; E1069-F1071 VanDerWaalsContact C-N 3.26Å; E1069-F1071 PolarHBondContact O-N 3.4Å; F1071-V1073 VanDerWaalsContact C-N 3.31Å; F1071-V1073 PolarHBondContact O-N 3.16Å; F1071-T1074 WeakPolarHBondContact O-CA 3.43Å; F1071-T1074 WeakPolarHBondContact O-CB 3.11Å; F1071-T1074 PolarHBondContact O-N 3.2Å; F1071-L1075 HydrophobicContact CD1-CD1 4.11Å; F1071-L1075 HydrophobicContact CD1-CG 4.47Å; F1071-L1075 HydrophobicContact CE1-CD1 3.41Å; F1071-L1075 VanDerWaalsContact CE1-CD1 3.41Å; F1071-L1075 HydrophobicContact CE1-CG 3.93Å; F1071-L1075 HydrophobicContact CE2-CD1 4.45Å; F1071-L1075 HydrophobicContact CE2-CD2 4.28Å; F1071-L1075 HydrophobicContact CE2-CG 4.1Å; F1071-L1075 HydrophobicContact CZ-CD1 3.63Å; F1071-L1075 HydrophobicContact CZ-CD2 3.96Å; F1071-L1075 HydrophobicContact CZ-CG 3.74Å; F1071-L1075 PolarHBondContact O-N 2.87Å
1072L88.5Confident83.8Confident0 Ų050.6 Ų50.60%031%0.306CS..Hα-helixtrans-58.3-41.9176.1-67.9-166.8000112.1L998 I1006 M1043 P1045 E1049 I1053 A1068 E1069 T1074 L1075 S1076L998-L1072 HydrophobicContact CD1-CD1 3.68Å; L998-L1072 HydrophobicContact CD1-CG 4.37Å; L998-L1072 HydrophobicContact CD2-CD1 3.76Å; L998-L1072 HydrophobicContact CG-CD1 4.33Å; I1006-L1072 HydrophobicContact CD1-CD1 4.05Å; I1006-L1072 HydrophobicContact CD1-CD2 3.88Å; I1006-L1072 HydrophobicContact CD1-CG 4.06Å; M1043-L1072 WeakPolarHBondContact O-CD2 3.44Å; P1045-L1072 HydrophobicContact CB-CB 4.14Å; P1045-L1072 HydrophobicContact CB-CD2 4.08Å; P1045-L1072 HydrophobicContact CB-CG 4.47Å; E1049-L1072 HydrophobicContact CB-CD1 4.31Å; I1053-L1072 HydrophobicContact CD1-CB 4.31Å; I1053-L1072 HydrophobicContact CD1-CD1 4.19Å; A1068-L1072 PolarHBondContact O-N 2.65Å; E1069-L1072 PolarHBondContact O-N 2.58Å; L1072-T1074 VanDerWaalsContact C-N 3.27Å; L1072-T1074 PolarHBondContact O-N 2.89Å; L1072-L1075 PolarHBondContact O-N 3.06Å; L1072-S1076 PolarHBondContact O-N 2.79Å; L1072-S1076 PolarHBondContact O-OG 2.85Å
1073V86.1Confident85Confident45 Ų4547.8 Ų47.827%0.27327%0.273SS..Hα-helixtrans-65.3-29.5174.4174.90000112.5I1053 E1069 F1071 S1076I1053-V1073 HydrophobicContact CB-CG2 4.42Å; I1053-V1073 HydrophobicContact CG2-CG2 3.55Å; E1069-V1073 WeakPolarHBondContact O-CG2 3.25Å; E1069-V1073 PolarHBondContact O-N 3.35Å; F1071-V1073 VanDerWaalsContact C-N 3.31Å; F1071-V1073 PolarHBondContact O-N 3.16Å; V1073-S1076 PolarHBondContact O-OG 2.88Å
1074T85.9Confident86.2Confident48 Ų4843.2 Ų43.229%0.29425%0.248SC..Hα-helixtrans-75-30175.6-55.70000111.9Q1070 F1071 L1072Q1070-T1074 PolarHBondContact O-N 2.97Å; Q1070-T1074 PolarHBondContact O-OG1 3.29Å; F1071-T1074 WeakPolarHBondContact O-CA 3.43Å; F1071-T1074 WeakPolarHBondContact O-CB 3.11Å; F1071-T1074 PolarHBondContact O-N 3.2Å; L1072-T1074 VanDerWaalsContact C-N 3.27Å; L1072-T1074 PolarHBondContact O-N 2.89Å
1075L87.3Confident87.1Confident1 Ų138.6 Ų38.61%0.00522%0.217CC..Hα-helixtrans-79-41.9174.5-75.9-174000113I1019 I1023 L1039 P1045 F1071 L1072 A1077 I1078 L1081I1019-L1075 HydrophobicContact CG2-CD2 4.16Å; I1023-L1075 HydrophobicContact CD1-CD2 4.08Å; L1039-L1075 HydrophobicContact CD2-CD1 4.02Å; L1039-L1075 HydrophobicContact CD2-CD2 4.39Å; P1045-L1075 HydrophobicContact CG-CB 4.1Å; F1071-L1075 HydrophobicContact CD1-CD1 4.11Å; F1071-L1075 HydrophobicContact CD1-CG 4.47Å; F1071-L1075 HydrophobicContact CE1-CD1 3.41Å; F1071-L1075 VanDerWaalsContact CE1-CD1 3.41Å; F1071-L1075 HydrophobicContact CE1-CG 3.93Å; F1071-L1075 HydrophobicContact CE2-CD1 4.45Å; F1071-L1075 HydrophobicContact CE2-CD2 4.28Å; F1071-L1075 HydrophobicContact CE2-CG 4.1Å; F1071-L1075 HydrophobicContact CZ-CD1 3.63Å; F1071-L1075 HydrophobicContact CZ-CD2 3.96Å; F1071-L1075 HydrophobicContact CZ-CG 3.74Å; F1071-L1075 PolarHBondContact O-N 2.87Å; L1072-L1075 PolarHBondContact O-N 3.06Å; L1075-A1077 PolarHBondContact O-N 3.22Å; L1075-I1078 HydrophobicContact CD2-CD1 4.17Å; L1075-I1078 WeakPolarHBondContact O-CB 3.2Å; L1075-I1078 WeakPolarHBondContact O-CG1 3.48Å; L1075-I1078 PolarHBondContact O-N 2.81Å; L1075-L1081 HydrophobicContact CB-CD2 3.81Å; L1075-L1081 HydrophobicContact CD1-CD2 4.46Å; L1075-L1081 HydrophobicContact CD2-CD1 4.41Å
1076S84.7Confident87.7Confident46 Ų4639.1 Ų39.132%0.32222%0.219SC..Hα-helixtrans-68.2-15.1-17761.50000114.1C1050 L1072 V1073 I1078C1050-S1076 VanDerWaalsContact SG-CB 3.51Å; L1072-S1076 PolarHBondContact O-N 2.79Å; L1072-S1076 PolarHBondContact O-OG 2.85Å; V1073-S1076 PolarHBondContact O-OG 2.88Å; S1076-I1078 PolarHBondContact O-N 3.44Å
1077A85.8Confident88.2Confident87 Ų8738.9 Ų38.972%0.71922%0.217SC*.THydrogen-bonded Turntrans-68.1-9.3167.600000114.3L1075L1075-A1077 PolarHBondContact O-N 3.22Å
1078I85.8Confident88.6Confident12 Ų1234.5 Ų34.56%0.06220%0.196CC..SBendtrans-94.1115.4-178.1-55.6171.4000110.1I1023 L1024 L1075 S1076 H1080 L1081I1023-I1078 HydrophobicContact CB-CD1 4.35Å; I1023-I1078 HydrophobicContact CD1-CD1 4.05Å; I1023-I1078 HydrophobicContact CG2-CD1 4.21Å; I1023-I1078 HydrophobicContact CG2-CG2 3.99Å; L1024-I1078 HydrophobicContact CD2-CG2 4.26Å; L1075-I1078 HydrophobicContact CD2-CD1 4.17Å; L1075-I1078 WeakPolarHBondContact O-CB 3.2Å; L1075-I1078 WeakPolarHBondContact O-CG1 3.48Å; L1075-I1078 PolarHBondContact O-N 2.81Å; S1076-I1078 PolarHBondContact O-N 3.44Å; I1078-H1080 PolarHBondContact O-N 3.15Å; I1078-L1081 HydrophobicContact CB-CB 4.4Å; I1078-L1081 HydrophobicContact CB-CD1 4.28Å; I1078-L1081 HydrophobicContact CD1-CD1 4.1Å; I1078-L1081 HydrophobicContact CG2-CD1 4.3Å; I1078-L1081 PolarHBondContact O-N 3.44Å
1079S85Confident88.9Confident78 Ų7835.9 Ų35.955%0.54520%0.203SC..THydrogen-bonded Turntrans-61.5132.617856.20000112.3L1081S1079-L1081 VanDerWaalsContact C-N 3.25Å; S1079-L1081 PolarHBondContact O-N 2.79Å
1080H86.9Confident89.2Confident87 Ų8736.7 Ų36.740%0.40321%0.207SC..THydrogen-bonded Turntrans53.536.6-178.7-50.7-71.5000114.2I1078 K1082 P1083 R1084 I1220I1078-H1080 PolarHBondContact O-N 3.15Å; H1080-K1082 PolarHBondContact O-N 2.77Å; H1080-P1083 HydrophobicContact CB-CB 4.31Å; H1080-P1083 HydrophobicContact CB-CG 4.29Å; H1080-P1083 VanDerWaalsContact O-CD 3.3Å; H1080-P1083 WeakPolarHBondContact O-CD 3.34Å; H1080-R1084 VanDerWaalsContact O-CB 3.25Å; H1080-R1084 WeakPolarHBondContact O-CB 3.46Å; H1080-R1084 PolarHBondContact O-N 2.99Å; H1080-I1220 HydrophobicContact CB-CG1 3.93Å
1081L89.5Confident89.5Confident13 Ų1335.7 Ų35.77%0.06820%0.201CC..Hα-helixtrans-43-55-178.317664.3000114I1023 L1044 P1045 L1075 I1078 S1079 R1084 L1085I1023-L1081 HydrophobicContact CD1-CD1 4.06Å; I1023-L1081 HydrophobicContact CG2-CD1 4.16Å; L1044-L1081 HydrophobicContact CD2-CD2 4.42Å; P1045-L1081 HydrophobicContact CG-CD2 3.96Å; L1075-L1081 HydrophobicContact CB-CD2 3.81Å; L1075-L1081 HydrophobicContact CD1-CD2 4.46Å; L1075-L1081 HydrophobicContact CD2-CD1 4.41Å; I1078-L1081 HydrophobicContact CB-CB 4.4Å; I1078-L1081 HydrophobicContact CB-CD1 4.28Å; I1078-L1081 HydrophobicContact CD1-CD1 4.1Å; I1078-L1081 HydrophobicContact CG2-CD1 4.3Å; I1078-L1081 PolarHBondContact O-N 3.44Å; S1079-L1081 VanDerWaalsContact C-N 3.25Å; S1079-L1081 PolarHBondContact O-N 2.79Å; L1081-R1084 PolarHBondContact O-N 2.73Å; L1081-L1085 HydrophobicContact CD1-CD1 3.74Å; L1081-L1085 HydrophobicContact CD1-CG 4.08Å; L1081-L1085 HydrophobicContact CG-CD1 4.01Å; L1081-L1085 WeakPolarHBondContact O-CG 3.31Å; L1081-L1085 PolarHBondContact O-N 2.75Å
1082K90.7Very high89.6Confident101 Ų10138.6 Ų38.644%0.43922%0.216SC..Hα-helixtrans-60.1-59.4-179.1170167.3-176.5173.70112.1L1044 H1080 R1084 L1085 E1086L1044-K1082 HydrophobicContact CD1-CB 3.83Å; L1044-K1082 HydrophobicContact CD1-CD 3.82Å; L1044-K1082 HydrophobicContact CD1-CG 3.87Å; L1044-K1082 HydrophobicContact CD2-CB 4Å; L1044-K1082 HydrophobicContact CG-CB 4.45Å; H1080-K1082 PolarHBondContact O-N 2.77Å; K1082-R1084 PolarHBondContact O-N 3.45Å; K1082-R1084 VanDerWaalsContact O-N 3.1Å; K1082-L1085 PolarHBondContact O-N 2.99Å; K1082-L1085 VanDerWaalsContact O-N 3.13Å; K1082-E1086 WeakPolarHBondContact CE-OE1 3.46Å; K1082-E1086 WeakPolarHBondContact CE-OE2 3.19Å; K1082-E1086 HydrophobicContact CG-CG 4.33Å; K1082-E1086 WeakPolarHBondContact CG-OE2 3.3Å; K1082-E1086 IonicContact NZ-OE1 2.7Å; K1082-E1086 WeakPolarHBondContact O-CG 3.43Å; K1082-E1086 PolarHBondContact O-N 3.39Å
1083P91.9Very high89.8Confident21 Ų2139.4 Ų39.414%0.13622%0.22CC..Hα-helixtrans-48.1-37.9172.3-32.634.9000114.7H1080 L1087 H1216 L1219 I1220H1080-P1083 HydrophobicContact CB-CB 4.31Å; H1080-P1083 HydrophobicContact CB-CG 4.29Å; H1080-P1083 VanDerWaalsContact O-CD 3.3Å; H1080-P1083 WeakPolarHBondContact O-CD 3.34Å; P1083-L1087 WeakPolarHBondContact O-CB 3.48Å; P1083-L1087 PolarHBondContact O-N 3.46Å; P1083-H1216 HydrophobicContact CB-CB 3.93Å; P1083-H1216 WeakPolarHBondContact O-CB 3.26Å; P1083-H1216 PolarHBondContact O-CD2 3.1Å; P1083-H1216 VanDerWaalsContact O-CD2 3.31Å; P1083-L1219 HydrophobicContact CB-CD2 4.23Å; P1083-L1219 HydrophobicContact CG-CD2 3.75Å; P1083-I1220 HydrophobicContact CB-CD1 4.12Å; P1083-I1220 HydrophobicContact CB-CG1 4.23Å
1084R91.5Very high90.2Very high19 Ų1937.4 Ų37.47%0.07221%0.208CC..Hα-helixtrans-72-42.3-177.9-179.2175.9-88.3-86.85.8112I1023 L1024 M1026 H1080 L1081 K1082 W1088 I1220I1023-R1084 HydrophobicContact CG2-CG 4Å; I1023-R1084 WeakPolarHBondContact O-CD 3.38Å; I1023-R1084 PolarHBondContact O-NH1 3.41Å; L1024-R1084 PolarHBondContact O-NH1 3.39Å; M1026-R1084 HydrophobicContact CE-CG 3.88Å; M1026-R1084 WeakPolarHBondContact CE-O 3.38Å; M1026-R1084 HydrophobicContact SD-CG 3.81Å; H1080-R1084 VanDerWaalsContact O-CB 3.25Å; H1080-R1084 WeakPolarHBondContact O-CB 3.46Å; H1080-R1084 PolarHBondContact O-N 2.99Å; L1081-R1084 PolarHBondContact O-N 2.73Å; K1082-R1084 PolarHBondContact O-N 3.45Å; K1082-R1084 VanDerWaalsContact O-N 3.1Å; R1084-W1088 WeakPolarHBondContact O-CB 3.45Å; R1084-W1088 PolarHBondContact O-N 3.23Å; R1084-I1220 HydrophobicContact CB-CD1 3.88Å
1085L92.4Very high90.5Very high1 Ų140.7 Ų40.71%0.00522%0.22CC..Hα-helixtrans-67.5-43.1172.8-70.5170.5000111.7I1023 I1036 L1039 L1040 L1081 K1082 W1088 L1089I1023-L1085 HydrophobicContact CD1-CD2 4.02Å; I1023-L1085 HydrophobicContact CG1-CD2 4Å; I1036-L1085 HydrophobicContact CG2-CB 4.32Å; I1036-L1085 HydrophobicContact CG2-CD2 4.08Å; L1039-L1085 HydrophobicContact CB-CD1 3.99Å; L1039-L1085 HydrophobicContact CB-CD2 4.42Å; L1039-L1085 HydrophobicContact CD1-CD2 4.03Å; L1040-L1085 HydrophobicContact CD1-CB 4.15Å; L1040-L1085 HydrophobicContact CD2-CB 3.54Å; L1040-L1085 HydrophobicContact CD2-CD1 4.13Å; L1040-L1085 HydrophobicContact CG-CB 3.77Å; L1040-L1085 HydrophobicContact CG-CD1 4.31Å; L1081-L1085 HydrophobicContact CD1-CD1 3.74Å; L1081-L1085 HydrophobicContact CD1-CG 4.08Å; L1081-L1085 HydrophobicContact CG-CD1 4.01Å; L1081-L1085 WeakPolarHBondContact O-CG 3.31Å; L1081-L1085 PolarHBondContact O-N 2.75Å; K1082-L1085 PolarHBondContact O-N 2.99Å; K1082-L1085 VanDerWaalsContact O-N 3.13Å; L1085-W1088 PolarHBondContact O-N 3.39Å; L1085-L1089 WeakPolarHBondContact O-CB 3.29Å; L1085-L1089 PolarHBondContact O-N 3.34Å
1086E93.5Very high90.8Very high48 Ų4845.1 Ų45.122%0.22424%0.24CC..Hα-helixtrans-63.1-42.9177.8-71.4176.6134.600111.7L1040 K1082 F1090 H1216L1040-E1086 HydrophobicContact CD1-CG 4.22Å; L1040-E1086 HydrophobicContact CD2-CG 3.76Å; K1082-E1086 WeakPolarHBondContact CE-OE1 3.46Å; K1082-E1086 WeakPolarHBondContact CE-OE2 3.19Å; K1082-E1086 HydrophobicContact CG-CG 4.33Å; K1082-E1086 WeakPolarHBondContact CG-OE2 3.3Å; K1082-E1086 IonicContact NZ-OE1 2.7Å; K1082-E1086 WeakPolarHBondContact O-CG 3.43Å; K1082-E1086 PolarHBondContact O-N 3.39Å; E1086-F1090 PolarHBondContact O-N 2.89Å; E1086-H1216 WeakPolarHBondContact CB-NE2 3.41Å; E1086-H1216 IonicContact OE2-CE1 2.61Å; E1086-H1216 IonicContact OE2-NE2 3.01Å; E1086-H1216 PolarHBondContact OE2-NE2 3.45Å; E1086-H1216 VanDerWaalsContact OE2-NE2 3.14Å
1087L93.1Very high91.2Very high0 Ų045.3 Ų45.30%024%0.238CC..Hα-helixtrans-63.6-38173.2172.757.7000112.9M1026 P1083 K1091 A1213 H1216 I1220 F1221 L1233 L1237M1026-L1087 HydrophobicContact CE-CB 4.37Å; M1026-L1087 HydrophobicContact CE-CD2 4.06Å; M1026-L1087 HydrophobicContact CE-CG 4.05Å; P1083-L1087 WeakPolarHBondContact O-CB 3.48Å; P1083-L1087 PolarHBondContact O-N 3.46Å; L1087-K1091 PolarHBondContact O-N 3.16Å; L1087-A1213 HydrophobicContact CD1-CB 3.95Å; L1087-H1216 HydrophobicContact CB-CB 4.04Å; L1087-I1220 HydrophobicContact CD2-CD1 3.76Å; L1087-F1221 HydrophobicContact CD2-CE2 4.31Å; L1087-L1233 HydrophobicContact CD2-CD2 4.07Å; L1087-L1237 HydrophobicContact CD1-CD1 3.98Å; L1087-L1237 HydrophobicContact CD1-CD2 4.01Å
1088W92.4Very high91.6Very high3 Ų341.3 Ų41.31%0.01120%0.204CC..Hα-helixtrans-71.2-43.4178.7-1705.2000111.5A1022 I1023 M1026 D1027 I1031 I1036 R1084 L1085 F1090 K1091 L1092A1022-W1088 HydrophobicContact CB-CH2 4.27Å; I1023-W1088 HydrophobicContact CB-CZ3 4.49Å; I1023-W1088 HydrophobicContact CG1-CZ3 4.01Å; M1026-W1088 VanDerWaalsContact C-CZ2 3.49Å; M1026-W1088 HydrophobicContact CB-CD2 4.19Å; M1026-W1088 HydrophobicContact CB-CG 4.18Å; M1026-W1088 HydrophobicContact CE-CB 4Å; M1026-W1088 HydrophobicContact SD-CB 3.91Å; M1026-W1088 HydrophobicContact SD-CD2 4.22Å; M1026-W1088 HydrophobicContact SD-CE3 4.3Å; M1026-W1088 HydrophobicContact SD-CG 4.07Å; D1027-W1088 VanDerWaalsContact C-CZ2 3.4Å; D1027-W1088 WeakPolarHBondContact O-CZ2 3.41Å; I1031-W1088 HydrophobicContact CB-CH2 3.82Å; I1031-W1088 HydrophobicContact CB-CZ3 4.46Å; I1031-W1088 HydrophobicContact CD1-CH2 4.12Å; I1031-W1088 HydrophobicContact CD1-CZ3 4.13Å; I1031-W1088 HydrophobicContact CG1-CH2 4.14Å; I1036-W1088 HydrophobicContact CD1-CD2 3.52Å; I1036-W1088 HydrophobicContact CD1-CE3 3.84Å; I1036-W1088 HydrophobicContact CD1-CG 3.9Å; I1036-W1088 HydrophobicContact CD1-CH2 4.19Å; I1036-W1088 HydrophobicContact CD1-CZ2 3.87Å; I1036-W1088 HydrophobicContact CD1-CZ3 4.17Å; I1036-W1088 HydrophobicContact CG1-CD2 4.22Å; I1036-W1088 HydrophobicContact CG1-CE3 4.02Å; I1036-W1088 HydrophobicContact CG1-CH2 4.45Å; I1036-W1088 HydrophobicContact CG1-CZ3 4.15Å; R1084-W1088 WeakPolarHBondContact O-CB 3.45Å; R1084-W1088 PolarHBondContact O-N 3.23Å; L1085-W1088 PolarHBondContact O-N 3.39Å; W1088-F1090 PolarHBondContact O-N 3.04Å; W1088-K1091 WeakPolarHBondContact O-CB 3.46Å; W1088-K1091 PolarHBondContact O-N 2.96Å; W1088-K1091 VanDerWaalsContact O-N 3.16Å; W1088-L1092 PolarHBondContact O-N 2.8Å
1089L92.2Very high92Very high30 Ų3045.5 Ų45.516%0.15722%0.222CC..Hα-helixtrans-60.6-46175.5-175.959000111.5R1033 I1036 E1037 L1040 L1085 K1091 L1092 D1093R1033-L1089 HydrophobicContact CG-CD1 3.8Å; I1036-L1089 HydrophobicContact CG2-CB 3.92Å; E1037-L1089 HydrophobicContact CG-CD1 3.81Å; E1037-L1089 HydrophobicContact CG-CD2 3.81Å; E1037-L1089 HydrophobicContact CG-CG 4.5Å; L1040-L1089 HydrophobicContact CD1-CB 4.39Å; L1040-L1089 HydrophobicContact CD1-CD2 3.85Å; L1085-L1089 WeakPolarHBondContact O-CB 3.29Å; L1085-L1089 PolarHBondContact O-N 3.34Å; L1089-K1091 VanDerWaalsContact C-N 3.27Å; L1089-K1091 PolarHBondContact O-N 3.17Å; L1089-L1092 PolarHBondContact O-N 3.24Å; L1089-L1092 VanDerWaalsContact O-N 3.1Å; L1089-D1093 PolarHBondContact O-N 2.75Å
1090F94.4Very high92.4Very high16 Ų1645 Ų457%0.0721%0.211CC..Hα-helixtrans-54.3-44174176.1-96.9000111.9E1086 W1088 L1092 Y1094 L1206 D1209 A1213 F1236 L1237 A1240E1086-F1090 PolarHBondContact O-N 2.89Å; W1088-F1090 PolarHBondContact O-N 3.04Å; F1090-L1092 VanDerWaalsContact C-N 3.31Å; F1090-L1092 PolarHBondContact O-N 3.27Å; F1090-Y1094 HydrophobicContact CE1-CD2 4.19Å; F1090-Y1094 AromaticContact CE2-CD2 4Å; F1090-Y1094 HydrophobicContact CE2-CD2 4Å; F1090-Y1094 AromaticContact CZ-CD2 3.54Å; F1090-Y1094 HydrophobicContact CZ-CD2 3.54Å; F1090-Y1094 HydrophobicContact CZ-CE2 4.17Å; F1090-Y1094 HydrophobicContact CZ-CG 4.37Å; F1090-Y1094 VanDerWaalsContact O-CB 3.27Å; F1090-Y1094 WeakPolarHBondContact O-CB 3.33Å; F1090-Y1094 PolarHBondContact O-N 2.77Å; F1090-L1206 HydrophobicContact CE2-CD1 4.16Å; F1090-D1209 HydrophobicContact CD2-CB 3.86Å; F1090-D1209 HydrophobicContact CE2-CB 4.23Å; F1090-A1213 HydrophobicContact CB-CB 4.17Å; F1090-A1213 HydrophobicContact CD1-CB 3.51Å; F1090-A1213 HydrophobicContact CD2-CB 4.42Å; F1090-A1213 HydrophobicContact CE1-CB 4Å; F1090-A1213 HydrophobicContact CG-CB 3.76Å; F1090-F1236 HydrophobicContact CD1-CE1 4.12Å; F1090-F1236 AromaticContact CE1-CE1 3.95Å; F1090-F1236 HydrophobicContact CE1-CE1 3.95Å; F1090-F1236 HydrophobicContact CE1-CZ 4.28Å; F1090-L1237 HydrophobicContact CD1-CD2 3.94Å; F1090-L1237 HydrophobicContact CE1-CD2 3.77Å; F1090-A1240 HydrophobicContact CE1-CB 4.29Å; F1090-A1240 HydrophobicContact CZ-CB 4.29Å
1091K92.9Very high92.8Very high91 Ų9140.9 Ų40.940%0.39619%0.192SC..Hα-helixtrans-62.1-35.2179.3-168.7-161.5174.2-164.50113L1087 W1088 L1089 L1233 F1236L1087-K1091 PolarHBondContact O-N 3.16Å; W1088-K1091 WeakPolarHBondContact O-CB 3.46Å; W1088-K1091 PolarHBondContact O-N 2.96Å; W1088-K1091 VanDerWaalsContact O-N 3.16Å; L1089-K1091 VanDerWaalsContact C-N 3.27Å; L1089-K1091 PolarHBondContact O-N 3.17Å; K1091-L1233 HydrophobicContact CD-CD1 4.04Å; K1091-L1233 HydrophobicContact CG-CD1 4.39Å; K1091-F1236 HydrophobicContact CB-CE1 3.99Å; K1091-F1236 HydrophobicContact CB-CZ 4.33Å; K1091-F1236 HydrophobicContact CG-CD1 4.06Å; K1091-F1236 HydrophobicContact CG-CE1 3.72Å; K1091-F1236 HydrophobicContact CG-CZ 3.98Å
1092L91.1Very high93.1Very high64 Ų6440.5 Ų40.534%0.33519%0.191SC..Hα-helixtrans-78.3-43.8180-66.2174.3000112.1H1028 R1033 I1036 W1088 L1089 F1090H1028-L1092 HydrophobicContact CB-CD2 4.37Å; R1033-L1092 HydrophobicContact CB-CD1 4.44Å; I1036-L1092 HydrophobicContact CD1-CD1 3.47Å; I1036-L1092 VanDerWaalsContact CD1-CD1 3.47Å; W1088-L1092 PolarHBondContact O-N 2.8Å; L1089-L1092 PolarHBondContact O-N 3.24Å; L1089-L1092 VanDerWaalsContact O-N 3.1Å; F1090-L1092 VanDerWaalsContact C-N 3.31Å; F1090-L1092 PolarHBondContact O-N 3.27Å
1093D92.3Very high93.3Very high16 Ų1640.2 Ų40.29%0.08619%0.191CC..Hα-helixtrans-80.4-18.1-174.1-81.614.8000113.9R1033 L1089 E1095 Q1096 N1097R1033-D1093 VanDerWaalsContact CD-OD1 3.29Å; R1033-D1093 WeakPolarHBondContact CD-OD1 3.34Å; R1033-D1093 IonicContact CZ-OD1 3.87Å; R1033-D1093 IonicContact CZ-OD2 3.63Å; R1033-D1093 IonicContact NE-OD1 2.63Å; R1033-D1093 PolarHBondContact NE-OD1 3.23Å; R1033-D1093 IonicContact NE-OD2 3.7Å; R1033-D1093 IonicContact NH1-OD1 3.63Å; R1033-D1093 PolarHBondContact NH1-OD1 2.93Å; R1033-D1093 IonicContact NH1-OD2 2.71Å; R1033-D1093 PolarHBondContact NH1-OD2 3.5Å; R1033-D1093 IonicContact NH2-OD1 3.6Å; R1033-D1093 IonicContact NH2-OD2 3.54Å; R1033-D1093 PolarHBondContact NH2-OD2 3.3Å; L1089-D1093 PolarHBondContact O-N 2.75Å; D1093-E1095 PolarHBondContact O-N 2.84Å; D1093-Q1096 PolarHBondContact O-N 2.99Å; D1093-N1097 PolarHBondContact O-N 3.25Å; D1093-N1097 PolarHBondContact O-ND2 3.44Å
1094Y94.6Very high93.4Very high4 Ų440 Ų402%0.01619%0.189CC..Hα-helixtrans-53.9-48.5-169.9178.8-99.6000114.2F1090 Q1096 N1097 E1098 L1206 F1236 A1240 R1243 V1244F1090-Y1094 HydrophobicContact CE1-CD2 4.19Å; F1090-Y1094 AromaticContact CE2-CD2 4Å; F1090-Y1094 HydrophobicContact CE2-CD2 4Å; F1090-Y1094 AromaticContact CZ-CD2 3.54Å; F1090-Y1094 HydrophobicContact CZ-CD2 3.54Å; F1090-Y1094 HydrophobicContact CZ-CE2 4.17Å; F1090-Y1094 HydrophobicContact CZ-CG 4.37Å; F1090-Y1094 VanDerWaalsContact O-CB 3.27Å; F1090-Y1094 WeakPolarHBondContact O-CB 3.33Å; F1090-Y1094 PolarHBondContact O-N 2.77Å; Y1094-Q1096 VanDerWaalsContact C-N 3.34Å; Y1094-Q1096 PolarHBondContact O-N 3.29Å; Y1094-N1097 PolarHBondContact O-N 3.31Å; Y1094-E1098 HydrophobicContact CE1-CB 4.49Å; Y1094-E1098 WeakPolarHBondContact O-CB 3.32Å; Y1094-E1098 PolarHBondContact O-N 3.04Å; Y1094-L1206 HydrophobicContact CD2-CD1 4.03Å; Y1094-L1206 HydrophobicContact CE2-CD1 4.25Å; Y1094-L1206 HydrophobicContact CE2-CD2 4.4Å; Y1094-L1206 HydrophobicContact CE2-CG 4.48Å; Y1094-F1236 AromaticContact CD1-CE2 3.98Å; Y1094-F1236 HydrophobicContact CD1-CE2 3.98Å; Y1094-F1236 HydrophobicContact CD1-CZ 4.12Å; Y1094-F1236 HydrophobicContact CG-CE2 4.33Å; Y1094-F1236 AromaticContact CG-CZ 3.99Å; Y1094-F1236 HydrophobicContact CG-CZ 3.99Å; Y1094-A1240 HydrophobicContact CD1-CB 4.42Å; Y1094-A1240 HydrophobicContact CD2-CB 4.07Å; Y1094-A1240 HydrophobicContact CE1-CB 4.07Å; Y1094-A1240 HydrophobicContact CE2-CB 3.69Å; Y1094-A1240 HydrophobicContact CG-CB 4.44Å; Y1094-A1240 PolarHBondContact OH-O 2.66Å; Y1094-R1243 WeakPolarHBondContact OH-CB 3.23Å; Y1094-V1244 HydrophobicContact CE2-CG2 3.91Å
1095E92.6Very high93.6Very high116 Ų11639.1 Ų39.154%0.54219%0.186SC..Hα-helixtrans-68.2-34.7-173.2-61.8-142.2100.400112.9K795 D1093 K1099K795-E1095 WeakPolarHBondContact CE-OE1 3.32Å; K795-E1095 IonicContact NZ-OE1 2.79Å; K795-E1095 PolarHBondContact NZ-OE1 3.27Å; D1093-E1095 PolarHBondContact O-N 2.84Å; E1095-K1099 WeakPolarHBondContact O-CB 3.47Å; E1095-K1099 PolarHBondContact O-N 3.33Å; E1095-K1099 VanDerWaalsContact O-N 3.09Å
1096Q93.1Very high93.8Very high94 Ų9440.7 Ų40.744%0.43920%0.195SC..Hα-helixtrans-74-44176.6-177.861.61900110.9D1093 Y1094 E1098 K1099 E1100D1093-Q1096 PolarHBondContact O-N 2.99Å; Y1094-Q1096 VanDerWaalsContact C-N 3.34Å; Y1094-Q1096 PolarHBondContact O-N 3.29Å; Q1096-E1098 VanDerWaalsContact C-N 3.3Å; Q1096-E1098 PolarHBondContact O-N 2.86Å; Q1096-K1099 PolarHBondContact O-N 3.06Å; Q1096-K1099 VanDerWaalsContact O-N 3.14Å; Q1096-E1100 WeakPolarHBondContact CG-OE1 3.31Å; Q1096-E1100 PolarHBondContact NE2-OE1 2.94Å; Q1096-E1100 WeakPolarHBondContact O-CG 3.35Å; Q1096-E1100 PolarHBondContact O-N 3.21Å
1097N93.2Very high93.9Very high50 Ų5039.6 Ų39.627%0.26719%0.19SC..Hα-helixtrans-61-38.1174.6-74.5-35000112.3D1093 Y1094 I1101 L1206D1093-N1097 PolarHBondContact O-N 3.25Å; D1093-N1097 PolarHBondContact O-ND2 3.44Å; Y1094-N1097 PolarHBondContact O-N 3.31Å; N1097-I1101 WeakPolarHBondContact O-CD1 3.32Å; N1097-I1101 WeakPolarHBondContact O-CG1 3.4Å; N1097-L1206 HydrophobicContact CB-CD1 3.9Å; N1097-L1206 HydrophobicContact CB-CD2 4.46Å
1098E95.2Very high94.1Very high4 Ų439.7 Ų39.72%0.01919%0.191CC..Hα-helixtrans-59.9-52.1170.8165.4173.3-115.400110.9L794 K795 Y1094 Q1096 E1100 I1101 A1102 R1243 L1247L794-E1098 WeakPolarHBondContact CD1-OE1 3.21Å; L794-E1098 HydrophobicContact CD2-CG 4.25Å; K795-E1098 WeakPolarHBondContact CE-OE2 3.28Å; K795-E1098 IonicContact NZ-OE2 2.65Å; K795-E1098 PolarHBondContact NZ-OE2 3.41Å; Y1094-E1098 HydrophobicContact CE1-CB 4.49Å; Y1094-E1098 WeakPolarHBondContact O-CB 3.32Å; Y1094-E1098 PolarHBondContact O-N 3.04Å; Q1096-E1098 VanDerWaalsContact C-N 3.3Å; Q1096-E1098 PolarHBondContact O-N 2.86Å; E1098-E1100 PolarHBondContact O-N 3.34Å; E1098-I1101 PolarHBondContact O-N 2.84Å; E1098-I1101 VanDerWaalsContact O-N 3.1Å; E1098-A1102 VanDerWaalsContact O-CB 3.28Å; E1098-A1102 WeakPolarHBondContact O-CB 3.43Å; E1098-A1102 PolarHBondContact O-N 2.68Å; E1098-R1243 IonicContact OE1-CZ 2.72Å; E1098-R1243 IonicContact OE1-NE 3.1Å; E1098-R1243 PolarHBondContact OE1-NE 3.25Å; E1098-R1243 IonicContact OE1-NH2 3.62Å; E1098-R1243 PolarHBondContact OE1-NH2 2.75Å; E1098-R1243 IonicContact OE2-CZ 2.78Å; E1098-R1243 IonicContact OE2-NE 3.05Å; E1098-R1243 IonicContact OE2-NH2 2.72Å; E1098-R1243 PolarHBondContact OE2-NH2 2.89Å; E1098-L1247 HydrophobicContact CG-CD1 4.35Å
1099K93.6Very high94.2Very high99 Ų9940.4 Ų40.443%0.4319%0.194SC..Hα-helixtrans-59.5-45.6-175.6-173.9-179.2178.5-175.60111.9E1095 Q1096 I1101 A1102 E1103E1095-K1099 WeakPolarHBondContact O-CB 3.47Å; E1095-K1099 PolarHBondContact O-N 3.33Å; E1095-K1099 VanDerWaalsContact O-N 3.09Å; Q1096-K1099 PolarHBondContact O-N 3.06Å; Q1096-K1099 VanDerWaalsContact O-N 3.14Å; K1099-I1101 PolarHBondContact O-N 2.56Å; K1099-I1101 VanDerWaalsContact O-N 3.14Å; K1099-A1102 PolarHBondContact O-N 3.17Å; K1099-E1103 WeakPolarHBondContact CE-OE1 3.48Å; K1099-E1103 WeakPolarHBondContact CE-OE2 3.42Å; K1099-E1103 HydrophobicContact CG-CG 4.06Å; K1099-E1103 IonicContact NZ-OE1 2.95Å; K1099-E1103 PolarHBondContact O-N 2.97Å
1100E93.2Very high94.3Very high67 Ų6742.1 Ų42.131%0.31320%0.201SC..Hα-helixtrans-64-14.5178.3-72.6-176.1-149.800114.2Q1096 E1098 P1104 R1202Q1096-E1100 WeakPolarHBondContact CG-OE1 3.31Å; Q1096-E1100 PolarHBondContact NE2-OE1 2.94Å; Q1096-E1100 WeakPolarHBondContact O-CG 3.35Å; Q1096-E1100 PolarHBondContact O-N 3.21Å; E1098-E1100 PolarHBondContact O-N 3.34Å; E1100-P1104 WeakPolarHBondContact O-CG 3.26Å; E1100-R1202 IonicContact OE2-CZ 2.85Å; E1100-R1202 IonicContact OE2-NH1 2.65Å; E1100-R1202 PolarHBondContact OE2-NH1 2.71Å; E1100-R1202 IonicContact OE2-NH2 3.64Å
1101I95.4Very high94.3Very high2 Ų241.5 Ų41.51%0.0120%0.199CC..Hα-helixtrans-100-38.4171.8-57.7165.7000111N1097 E1098 K1099 L1105 L1199 R1202 L1203 L1206 L1247N1097-I1101 WeakPolarHBondContact O-CD1 3.32Å; N1097-I1101 WeakPolarHBondContact O-CG1 3.4Å; E1098-I1101 PolarHBondContact O-N 2.84Å; E1098-I1101 VanDerWaalsContact O-N 3.1Å; K1099-I1101 PolarHBondContact O-N 2.56Å; K1099-I1101 VanDerWaalsContact O-N 3.14Å; I1101-L1105 HydrophobicContact CG2-CD1 4Å; I1101-L1105 WeakPolarHBondContact O-CD1 3.13Å; I1101-L1105 WeakPolarHBondContact O-CG 3.36Å; I1101-L1199 HydrophobicContact CB-CD1 4.29Å; I1101-L1199 HydrophobicContact CG1-CD1 4.38Å; I1101-L1199 HydrophobicContact CG2-CD1 4.08Å; I1101-R1202 HydrophobicContact CD1-CB 4.16Å; I1101-R1202 HydrophobicContact CG1-CB 4.22Å; I1101-L1203 HydrophobicContact CD1-CB 4.12Å; I1101-L1203 HydrophobicContact CD1-CD1 4.29Å; I1101-L1203 HydrophobicContact CG2-CB 4.5Å; I1101-L1203 HydrophobicContact CG2-CD1 4.48Å; I1101-L1206 HydrophobicContact CD1-CB 4.47Å; I1101-L1206 HydrophobicContact CD1-CD2 3.88Å; I1101-L1247 HydrophobicContact CB-CD2 4.41Å; I1101-L1247 HydrophobicContact CG2-CD2 4.03Å
1102A95.1Very high94.4Very high4 Ų437.5 Ų37.53%0.03318%0.182CC..Hα-helixtrans-70.8-42.7-174.200000113.8L794 L797 E1098 K1099 L1105 N1106 L1247L794-A1102 HydrophobicContact CD2-CB 3.59Å; L797-A1102 HydrophobicContact CD1-CB 3.82Å; E1098-A1102 VanDerWaalsContact O-CB 3.28Å; E1098-A1102 WeakPolarHBondContact O-CB 3.43Å; E1098-A1102 PolarHBondContact O-N 2.68Å; K1099-A1102 PolarHBondContact O-N 3.17Å; A1102-L1105 PolarHBondContact O-N 2.81Å; A1102-N1106 PolarHBondContact O-N 2.81Å; A1102-L1247 HydrophobicContact CB-CD2 4.12Å
1103E94.7Very high94.5Very high96 Ų9637.7 Ų37.745%0.44918%0.183SC..Hα-helixtrans-65.4-47.7-177.8-70.1-177.4150.900112.1K1099 L1105 N1106 D1107K1099-E1103 WeakPolarHBondContact CE-OE1 3.48Å; K1099-E1103 WeakPolarHBondContact CE-OE2 3.42Å; K1099-E1103 HydrophobicContact CG-CG 4.06Å; K1099-E1103 IonicContact NZ-OE1 2.95Å; K1099-E1103 PolarHBondContact O-N 2.97Å; E1103-L1105 VanDerWaalsContact C-N 3.29Å; E1103-L1105 PolarHBondContact O-N 2.82Å; E1103-N1106 PolarHBondContact O-N 3.11Å; E1103-D1107 PolarHBondContact O-N 3.33Å
1104P95.3Very high94.6Very high16 Ų1639.2 Ų39.210%0.10419%0.19CC..Hα-helixtrans-55.5-38.6171.7-30.337.7000114.7E1100 D1107 L1108 V1194 W1196 L1199E1100-P1104 WeakPolarHBondContact O-CG 3.26Å; P1104-D1107 PolarHBondContact O-N 3.02Å; P1104-L1108 WeakPolarHBondContact O-CB 3.47Å; P1104-L1108 PolarHBondContact O-N 2.81Å; P1104-V1194 HydrophobicContact CB-CG1 3.95Å; P1104-V1194 HydrophobicContact CB-CG2 4.03Å; P1104-V1194 HydrophobicContact CG-CG1 4.14Å; P1104-V1194 HydrophobicContact CG-CG2 4.07Å; P1104-W1196 HydrophobicContact CB-CH2 4.13Å; P1104-W1196 HydrophobicContact CB-CZ2 4.43Å; P1104-W1196 WeakPolarHBondContact O-CH2 3.42Å; P1104-L1199 HydrophobicContact CB-CD1 4.21Å; P1104-L1199 HydrophobicContact CB-CD2 4.4Å; P1104-L1199 HydrophobicContact CG-CD1 4.24Å
1105L96Very high94.6Very high0 Ų039.4 Ų39.40%019%0.191CC..Hα-helixtrans-69.9-36.2179.2-73.4171.6000112.4F799 I1101 A1102 E1103 K1109 L1199 L1247 V1250 Y1251 M1254F799-L1105 HydrophobicContact CE1-CB 4.32Å; F799-L1105 HydrophobicContact CZ-CB 4.24Å; I1101-L1105 HydrophobicContact CG2-CD1 4Å; I1101-L1105 WeakPolarHBondContact O-CD1 3.13Å; I1101-L1105 WeakPolarHBondContact O-CG 3.36Å; A1102-L1105 PolarHBondContact O-N 2.81Å; E1103-L1105 VanDerWaalsContact C-N 3.29Å; E1103-L1105 PolarHBondContact O-N 2.82Å; L1105-K1109 PolarHBondContact O-N 3.01Å; L1105-K1109 VanDerWaalsContact O-N 3.13Å; L1105-L1199 HydrophobicContact CD2-CD2 4.42Å; L1105-L1247 HydrophobicContact CD1-CD2 4.28Å; L1105-V1250 HydrophobicContact CB-CG1 4.13Å; L1105-V1250 HydrophobicContact CD1-CG1 4.09Å; L1105-Y1251 HydrophobicContact CD2-CD2 4.11Å; L1105-M1254 HydrophobicContact CD2-CB 4.37Å
1106N95.6Very high94.5Very high35 Ų3536.6 Ų36.619%0.18718%0.179CC..Hα-helixtrans-68.7-42.1171175.160.4000111.5L797 F799 A1102 E1103 L1108 K1109 Q1110L797-N1106 HydrophobicContact CD1-CB 4.33Å; L797-N1106 HydrophobicContact CD2-CB 4.09Å; F799-N1106 HydrophobicContact CE1-CB 4.22Å; F799-N1106 HydrophobicContact CZ-CB 3.88Å; A1102-N1106 PolarHBondContact O-N 2.81Å; E1103-N1106 PolarHBondContact O-N 3.11Å; N1106-L1108 VanDerWaalsContact C-N 3.34Å; N1106-L1108 PolarHBondContact O-N 3.19Å; N1106-K1109 WeakPolarHBondContact O-CB 3.5Å; N1106-K1109 PolarHBondContact O-N 2.88Å; N1106-K1109 VanDerWaalsContact O-N 3.17Å; N1106-Q1110 WeakPolarHBondContact O-CG 3.45Å; N1106-Q1110 PolarHBondContact O-N 3.36Å; N1106-Q1110 PolarHBondContact OD1-NE2 3.17Å
1107D96.1Very high94.4Very high24 Ų2437.3 Ų37.313%0.12819%0.185CC..Hα-helixtrans-62.1-40.3176.2-93.2-13000112E1103 P1104 K1109 Q1110 A1111 R1190 C1191E1103-D1107 PolarHBondContact O-N 3.33Å; P1104-D1107 PolarHBondContact O-N 3.02Å; D1107-K1109 VanDerWaalsContact C-N 3.32Å; D1107-K1109 PolarHBondContact O-N 2.87Å; D1107-Q1110 PolarHBondContact O-N 3.43Å; D1107-A1111 VanDerWaalsContact O-CB 3.27Å; D1107-A1111 WeakPolarHBondContact O-CB 3.39Å; D1107-A1111 PolarHBondContact O-N 3Å; D1107-R1190 IonicContact OD1-CZ 2.64Å; D1107-R1190 VanDerWaalsContact OD1-CZ 3.27Å; D1107-R1190 IonicContact OD1-NE 2.82Å; D1107-R1190 PolarHBondContact OD1-NE 2.83Å; D1107-R1190 IonicContact OD1-NH2 2.67Å; D1107-R1190 PolarHBondContact OD1-NH2 3.45Å; D1107-R1190 WeakPolarHBondContact OD2-CB 3.46Å; D1107-R1190 WeakPolarHBondContact OD2-CD 3.44Å; D1107-R1190 IonicContact OD2-CZ 3.87Å; D1107-R1190 IonicContact OD2-NE 3.48Å; D1107-R1190 PolarHBondContact OD2-NE 3.49Å; D1107-C1191 PolarHBondContact O-SG 3.31Å
1108L96Very high94.4Very high2 Ų235.1 Ų35.11%0.0117%0.174CC..Hα-helixtrans-64.3-36.8174.4179.357.3000112.2P1104 N1106 A1111 V1112 C1191 W1196 M1254 F1258 V1277P1104-L1108 WeakPolarHBondContact O-CB 3.47Å; P1104-L1108 PolarHBondContact O-N 2.81Å; N1106-L1108 VanDerWaalsContact C-N 3.34Å; N1106-L1108 PolarHBondContact O-N 3.19Å; L1108-A1111 PolarHBondContact O-N 2.87Å; L1108-V1112 WeakPolarHBondContact O-CG2 3.41Å; L1108-V1112 PolarHBondContact O-N 2.66Å; L1108-V1112 VanDerWaalsContact O-N 3.09Å; L1108-C1191 VanDerWaalsContact CA-SG 3.51Å; L1108-C1191 PolarHBondContact N-SG 2.85Å; L1108-C1191 VanDerWaalsContact N-SG 3.37Å; L1108-W1196 HydrophobicContact CB-CH2 3.63Å; L1108-W1196 HydrophobicContact CB-CZ2 4.13Å; L1108-W1196 HydrophobicContact CB-CZ3 4.49Å; L1108-W1196 HydrophobicContact CD2-CH2 3.62Å; L1108-W1196 HydrophobicContact CD2-CZ2 4.37Å; L1108-W1196 HydrophobicContact CD2-CZ3 3.68Å; L1108-W1196 HydrophobicContact CG-CH2 4.16Å; L1108-M1254 HydrophobicContact CB-CG 4.29Å; L1108-M1254 HydrophobicContact CD2-CG 3.82Å; L1108-M1254 HydrophobicContact CG-CE 4.06Å; L1108-M1254 HydrophobicContact CG-CG 3.89Å; L1108-F1258 HydrophobicContact CD1-CD2 3.94Å; L1108-V1277 HydrophobicContact CD1-CG1 3.57Å; L1108-V1277 HydrophobicContact CD2-CG1 4.08Å; L1108-V1277 HydrophobicContact CD2-CG2 4.01Å; L1108-V1277 HydrophobicContact CG-CG1 4.41Å
1109K94.6Very high94.3Very high19 Ų1940.3 Ų40.38%0.08320%0.197CC..Hα-helixtrans-61.1-48.1171.3172.8-179.4160.9177.40111.4D798 F799 D801 L1105 N1106 D1107 V1112 I1113 M1254D798-K1109 PolarHBondContact O-NZ 3.34Å; F799-K1109 HydrophobicContact CD1-CD 4.02Å; F799-K1109 HydrophobicContact CE1-CD 4.4Å; D801-K1109 WeakPolarHBondContact OD1-CE 3.36Å; D801-K1109 IonicContact OD1-NZ 2.93Å; D801-K1109 PolarHBondContact OD1-NZ 2.92Å; D801-K1109 WeakPolarHBondContact OD2-CE 3.28Å; D801-K1109 IonicContact OD2-NZ 3.53Å; L1105-K1109 PolarHBondContact O-N 3.01Å; L1105-K1109 VanDerWaalsContact O-N 3.13Å; N1106-K1109 WeakPolarHBondContact O-CB 3.5Å; N1106-K1109 PolarHBondContact O-N 2.88Å; N1106-K1109 VanDerWaalsContact O-N 3.17Å; D1107-K1109 VanDerWaalsContact C-N 3.32Å; D1107-K1109 PolarHBondContact O-N 2.87Å; K1109-V1112 PolarHBondContact O-N 2.79Å; K1109-I1113 HydrophobicContact CG-CD1 4.11Å; K1109-I1113 WeakPolarHBondContact O-CG1 3.44Å; K1109-I1113 PolarHBondContact O-N 2.84Å; K1109-M1254 HydrophobicContact CB-SD 3.7Å; K1109-M1254 HydrophobicContact CG-SD 4.42Å
1110Q94.8Very high94.3Very high65 Ų6535.6 Ų35.630%0.30418%0.176SC..Hα-helixtrans-66.1-41178-58.2-48-38.700111.5N1106 D1107 V1112 I1113 E1114 A1187N1106-Q1110 WeakPolarHBondContact O-CG 3.45Å; N1106-Q1110 PolarHBondContact O-N 3.36Å; N1106-Q1110 PolarHBondContact OD1-NE2 3.17Å; D1107-Q1110 PolarHBondContact O-N 3.43Å; Q1110-V1112 VanDerWaalsContact C-N 3.32Å; Q1110-V1112 PolarHBondContact O-N 3.11Å; Q1110-I1113 CarbonylContact O-C 3.5Å; Q1110-I1113 WeakPolarHBondContact O-CA 3.46Å; Q1110-I1113 WeakPolarHBondContact O-CB 3.46Å; Q1110-I1113 PolarHBondContact O-N 3.11Å; Q1110-E1114 WeakPolarHBondContact O-CG 3.35Å; Q1110-E1114 PolarHBondContact O-N 3.12Å; Q1110-A1187 HydrophobicContact CB-CB 3.59Å
1111A95.4Very high94.3Very high3 Ų332.7 Ų32.73%0.02516%0.163CC..Hα-helixtrans-58.5-40.3178.100000112.5D1107 L1108 L1115 A1187 L1188D1107-A1111 VanDerWaalsContact O-CB 3.27Å; D1107-A1111 WeakPolarHBondContact O-CB 3.39Å; D1107-A1111 PolarHBondContact O-N 3Å; L1108-A1111 PolarHBondContact O-N 2.87Å; A1111-L1115 WeakPolarHBondContact O-CB 3.34Å; A1111-L1115 PolarHBondContact O-N 3.25Å; A1111-A1187 HydrophobicContact CB-CB 4.25Å; A1111-L1188 HydrophobicContact CB-CB 3.87Å
1112V94.4Very high94.2Very high7 Ų735.9 Ų35.94%0.04217%0.174CC..Hα-helixtrans-64.6-40.4173166.20000111.5L1108 K1109 Q1110 I1116 M1254 R1257 T1261L1108-V1112 WeakPolarHBondContact O-CG2 3.41Å; L1108-V1112 PolarHBondContact O-N 2.66Å; L1108-V1112 VanDerWaalsContact O-N 3.09Å; K1109-V1112 PolarHBondContact O-N 2.79Å; Q1110-V1112 VanDerWaalsContact C-N 3.32Å; Q1110-V1112 PolarHBondContact O-N 3.11Å; V1112-I1116 HydrophobicContact CG1-CD1 3.72Å; V1112-I1116 WeakPolarHBondContact O-CB 3.23Å; V1112-I1116 VanDerWaalsContact O-CG1 3.27Å; V1112-I1116 WeakPolarHBondContact O-CG1 3.22Å; V1112-I1116 PolarHBondContact O-N 3.39Å; V1112-M1254 HydrophobicContact CB-CE 4.09Å; V1112-M1254 HydrophobicContact CG2-CE 3.64Å; V1112-R1257 HydrophobicContact CG1-CG 4.22Å; V1112-T1261 HydrophobicContact CG1-CG2 4.22Å; V1112-T1261 VanDerWaalsContact CG1-OG1 3.3Å; V1112-T1261 WeakPolarHBondContact CG1-OG1 3.42Å; V1112-T1261 HydrophobicContact CG2-CG2 4.34Å
1113I93.4Very high94.2Very high68 Ų6837.9 Ų37.935%0.34918%0.182SC..Hα-helixtrans-67.9-46.6178.6-65.4165.2000110.9K1109 Q1110 N1117K1109-I1113 HydrophobicContact CG-CD1 4.11Å; K1109-I1113 WeakPolarHBondContact O-CG1 3.44Å; K1109-I1113 PolarHBondContact O-N 2.84Å; Q1110-I1113 CarbonylContact O-C 3.5Å; Q1110-I1113 WeakPolarHBondContact O-CA 3.46Å; Q1110-I1113 WeakPolarHBondContact O-CB 3.46Å; Q1110-I1113 PolarHBondContact O-N 3.11Å; I1113-N1117 WeakPolarHBondContact O-CB 3.35Å; I1113-N1117 PolarHBondContact O-N 3.35Å; I1113-N1117 VanDerWaalsContact O-N 3.1Å; I1113-N1117 PolarHBondContact O-ND2 2.97Å
1114E94.2Very high94.2Very high49 Ų4933.3 Ų33.323%0.22916%0.16CC..Hα-helixtrans-55-52.1173.5-73.6172.1-179.200110.6Q1110 I1116 N1117 C1118 L1185 G1186 A1187 L1188Q1110-E1114 WeakPolarHBondContact O-CG 3.35Å; Q1110-E1114 PolarHBondContact O-N 3.12Å; E1114-I1116 PolarHBondContact O-N 3.29Å; E1114-N1117 PolarHBondContact O-N 3.32Å; E1114-N1117 VanDerWaalsContact O-N 3.15Å; E1114-C1118 WeakPolarHBondContact O-CB 3.37Å; E1114-C1118 PolarHBondContact O-N 2.96Å; E1114-L1185 HydrophobicContact CB-CD2 4.13Å; E1114-L1185 WeakPolarHBondContact OE2-CA 3.45Å; E1114-G1186 PolarHBondContact OE2-N 2.91Å; E1114-A1187 VanDerWaalsContact CD-N 3.35Å; E1114-A1187 VanDerWaalsContact OE1-CB 3.23Å; E1114-A1187 WeakPolarHBondContact OE1-CB 3.43Å; E1114-A1187 PolarHBondContact OE1-N 2.83Å; E1114-A1187 WeakPolarHBondContact OE2-CB 3.49Å; E1114-A1187 PolarHBondContact OE2-N 2.87Å; E1114-L1188 PolarHBondContact OE2-N 2.9Å
1115L93.8Very high94.2Very high8 Ų832.7 Ų32.74%0.04216%0.156CC..Hα-helixtrans-63.2-40.7-176-175.562.6000113.5A1111 L1121 L1185 L1188 T1261 L1265 F1280 L1284A1111-L1115 WeakPolarHBondContact O-CB 3.34Å; A1111-L1115 PolarHBondContact O-N 3.25Å; L1115-L1121 HydrophobicContact CD1-CD2 3.36Å; L1115-L1185 HydrophobicContact CB-CD2 4.49Å; L1115-L1185 HydrophobicContact CD1-CD2 4.38Å; L1115-L1188 HydrophobicContact CD1-CD1 4.43Å; L1115-L1188 HydrophobicContact CD2-CD1 4.38Å; L1115-T1261 HydrophobicContact CD2-CG2 4.18Å; L1115-L1265 HydrophobicContact CD2-CD1 3.72Å; L1115-L1265 HydrophobicContact CG-CD1 4.28Å; L1115-F1280 HydrophobicContact CD2-CE1 3.72Å; L1115-F1280 HydrophobicContact CD2-CZ 3.82Å; L1115-L1284 HydrophobicContact CD1-CD1 3.88Å; L1115-L1284 HydrophobicContact CD2-CD1 4.23Å
1116I91.9Very high94Very high57 Ų5734 Ų3429%0.29217%0.165SC..Hα-helixtrans-69.8-34175.9-68.6169.1000111V1112 E1114 R1122 T1261 Y1264V1112-I1116 HydrophobicContact CG1-CD1 3.72Å; V1112-I1116 WeakPolarHBondContact O-CB 3.23Å; V1112-I1116 VanDerWaalsContact O-CG1 3.27Å; V1112-I1116 WeakPolarHBondContact O-CG1 3.22Å; V1112-I1116 PolarHBondContact O-N 3.39Å; E1114-I1116 PolarHBondContact O-N 3.29Å; I1116-R1122 PolarHBondContact O-NH1 3.3Å; I1116-T1261 HydrophobicContact CD1-CG2 4.48Å; I1116-T1261 HydrophobicContact CG1-CG2 4.42Å; I1116-Y1264 HydrophobicContact CG1-CD1 4.22Å; I1116-Y1264 HydrophobicContact CG1-CE1 4.05Å; I1116-Y1264 HydrophobicContact CG2-CE1 4.46Å
1117N91.1Very high94Very high108 Ų10832.4 Ų32.458%0.57816%0.157SC*.Hα-helixtrans-84.5-27.5-178.9-74.7-71.2000113.8I1113 E1114 K1119 R1122I1113-N1117 WeakPolarHBondContact O-CB 3.35Å; I1113-N1117 PolarHBondContact O-N 3.35Å; I1113-N1117 VanDerWaalsContact O-N 3.1Å; I1113-N1117 PolarHBondContact O-ND2 2.97Å; E1114-N1117 PolarHBondContact O-N 3.32Å; E1114-N1117 VanDerWaalsContact O-N 3.15Å; N1117-K1119 PolarHBondContact O-N 2.84Å; N1117-K1119 VanDerWaalsContact O-N 3.12Å; N1117-R1122 PolarHBondContact O-NH2 2.93Å
1118C93.3Very high93.9Very high4 Ų431.3 Ų31.33%0.02715%0.151CC..  trans-51.4112.2-175.1-176.40000113.1E1114 L1121 R1122 L1181 E1184 L1185E1114-C1118 WeakPolarHBondContact O-CB 3.37Å; E1114-C1118 PolarHBondContact O-N 2.96Å; C1118-L1121 HydrophobicContact CB-CB 4.14Å; C1118-L1121 WeakPolarHBondContact SG-CB 3.2Å; C1118-L1121 PolarHBondContact SG-N 3.42Å; C1118-R1122 VanDerWaalsContact O-CZ 3.31Å; C1118-R1122 PolarHBondContact O-NH2 2.88Å; C1118-L1181 WeakPolarHBondContact SG-CD1 3.47Å; C1118-E1184 PolarHBondContact SG-OE2 3.4Å; C1118-L1185 HydrophobicContact CB-CD2 4.15Å
1119K92.4Very high93.8Very high114 Ų11431.3 Ų31.350%0.49615%0.151SC..Hα-helixtrans-76.7-41.4176.5-68.2-178.8179.9-179.60111.2N1117 L1121 R1122 Y1123N1117-K1119 PolarHBondContact O-N 2.84Å; N1117-K1119 VanDerWaalsContact O-N 3.12Å; K1119-L1121 VanDerWaalsContact C-N 3.28Å; K1119-L1121 PolarHBondContact O-N 3.06Å; K1119-R1122 WeakPolarHBondContact O-CA 3.35Å; K1119-R1122 WeakPolarHBondContact O-CB 3.4Å; K1119-R1122 PolarHBondContact O-N 3.18Å; K1119-Y1123 HydrophobicContact CB-CE2 4.06Å; K1119-Y1123 PolarHBondContact O-N 3.31Å
1120T92.9Very high93.8Very high0 Ų032.3 Ų32.30%016%0.16CC..Hα-helixtrans-60.8-38.3-177.2-64.80000111.5Y1123 I1124 T1179 L1181 Y1291T1120-Y1123 PolarHBondContact O-N 3.22Å; T1120-I1124 HydrophobicContact CG2-CD1 3.84Å; T1120-I1124 WeakPolarHBondContact O-CB 3.48Å; T1120-I1124 WeakPolarHBondContact O-CD1 3.48Å; T1120-I1124 WeakPolarHBondContact O-CG1 3.31Å; T1120-I1124 PolarHBondContact O-N 3.41Å; T1120-T1179 PolarHBondContact OG1-N 3.05Å; T1120-T1179 PolarHBondContact OG1-OG1 2.76Å; T1120-L1181 HydrophobicContact CG2-CB 4.25Å; T1120-L1181 HydrophobicContact CG2-CD1 4.49Å; T1120-Y1291 HydrophobicContact CG2-CE1 4.09Å
1121L94.6Very high93.7Very high5 Ų530.2 Ų30.23%0.02615%0.151CC..Hα-helixtrans-62.7-46.2171.8-175.161.8000111.6L1115 C1118 K1119 Y1123 I1124 L1125 L1181 L1284L1115-L1121 HydrophobicContact CD1-CD2 3.36Å; C1118-L1121 HydrophobicContact CB-CB 4.14Å; C1118-L1121 WeakPolarHBondContact SG-CB 3.2Å; C1118-L1121 PolarHBondContact SG-N 3.42Å; K1119-L1121 VanDerWaalsContact C-N 3.28Å; K1119-L1121 PolarHBondContact O-N 3.06Å; L1121-Y1123 PolarHBondContact O-N 3.35Å; L1121-I1124 WeakPolarHBondContact O-CB 3.5Å; L1121-I1124 PolarHBondContact O-N 3.1Å; L1121-L1125 HydrophobicContact CD1-CD1 4.17Å; L1121-L1125 HydrophobicContact CD1-CD2 4.3Å; L1121-L1125 HydrophobicContact CD1-CG 3.98Å; L1121-L1125 HydrophobicContact CD2-CD1 4.43Å; L1121-L1125 HydrophobicContact CG-CD1 3.88Å; L1121-L1125 HydrophobicContact CG-CG 4.11Å; L1121-L1125 WeakPolarHBondContact O-CB 3.42Å; L1121-L1125 VanDerWaalsContact O-CG 3.23Å; L1121-L1125 WeakPolarHBondContact O-CG 3.38Å; L1121-L1125 PolarHBondContact O-N 3.39Å; L1121-L1181 HydrophobicContact CB-CD1 3.94Å; L1121-L1181 HydrophobicContact CD1-CD2 4.36Å; L1121-L1284 HydrophobicContact CD1-CD2 4.29Å; L1121-L1284 HydrophobicContact CD2-CD2 4.37Å
1122R93.6Very high93.5Very high69 Ų6930.4 Ų30.426%0.2615%0.153SC..Hα-helixtrans-58.8-45.7175.2-79.8-175.1-68-85.6-7.6111.9I1116 N1117 C1118 K1119 I1124 L1125 S1126I1116-R1122 PolarHBondContact O-NH1 3.3Å; N1117-R1122 PolarHBondContact O-NH2 2.93Å; C1118-R1122 VanDerWaalsContact O-CZ 3.31Å; C1118-R1122 PolarHBondContact O-NH2 2.88Å; K1119-R1122 WeakPolarHBondContact O-CA 3.35Å; K1119-R1122 WeakPolarHBondContact O-CB 3.4Å; K1119-R1122 PolarHBondContact O-N 3.18Å; R1122-I1124 PolarHBondContact O-N 2.93Å; R1122-L1125 PolarHBondContact O-N 2.93Å; R1122-S1126 WeakPolarHBondContact O-CB 3.5Å; R1122-S1126 PolarHBondContact O-N 3.31Å; R1122-S1126 PolarHBondContact O-OG 3.02Å
1123Y94.6Very high93.4Very high47 Ų4730.4 Ų30.418%0.18415%0.153CC..Hα-helixtrans-60.4-44.1175.9-58.1-29.7000112.1K1119 T1120 L1121 S1126 V1127 F1175 D1177K1119-Y1123 HydrophobicContact CB-CE2 4.06Å; K1119-Y1123 PolarHBondContact O-N 3.31Å; T1120-Y1123 PolarHBondContact O-N 3.22Å; L1121-Y1123 PolarHBondContact O-N 3.35Å; Y1123-S1126 PolarHBondContact O-N 2.94Å; Y1123-V1127 VanDerWaalsContact O-CB 3.23Å; Y1123-V1127 WeakPolarHBondContact O-CB 3.47Å; Y1123-V1127 VanDerWaalsContact O-CG2 3.23Å; Y1123-V1127 WeakPolarHBondContact O-CG2 3.26Å; Y1123-V1127 PolarHBondContact O-N 3.15Å; Y1123-F1175 HydrophobicContact CD1-CB 4.46Å; Y1123-F1175 AromaticContact CD1-CD1 3.58Å; Y1123-F1175 HydrophobicContact CD1-CD1 3.58Å; Y1123-F1175 AromaticContact CD1-CE1 3.96Å; Y1123-F1175 HydrophobicContact CD1-CE1 3.96Å; Y1123-F1175 AromaticContact CD1-CG 3.98Å; Y1123-F1175 HydrophobicContact CD1-CG 3.98Å; Y1123-F1175 HydrophobicContact CD2-CB 3.68Å; Y1123-F1175 HydrophobicContact CD2-CD1 4.28Å; Y1123-F1175 HydrophobicContact CD2-CG 4.09Å; Y1123-F1175 AromaticContact CE1-CD1 3.76Å; Y1123-F1175 HydrophobicContact CE1-CD1 3.76Å; Y1123-F1175 HydrophobicContact CE1-CE1 4.21Å; Y1123-F1175 HydrophobicContact CE1-CG 4.48Å; Y1123-F1175 HydrophobicContact CE2-CB 4.09Å; Y1123-F1175 HydrophobicContact CE2-CD1 4.41Å; Y1123-F1175 HydrophobicContact CG-CB 3.88Å; Y1123-F1175 AromaticContact CG-CD1 3.86Å; Y1123-F1175 HydrophobicContact CG-CD1 3.86Å; Y1123-F1175 HydrophobicContact CG-CD2 4.39Å; Y1123-F1175 AromaticContact CG-CG 3.77Å; Y1123-F1175 HydrophobicContact CG-CG 3.77Å; Y1123-D1177 WeakPolarHBondContact CE2-OD1 3.4Å; Y1123-D1177 VanDerWaalsContact CE2-OD2 3.3Å; Y1123-D1177 WeakPolarHBondContact CE2-OD2 3.32Å; Y1123-D1177 PolarHBondContact OH-OD2 3.45Å
1124I94.9Very high93.3Very high0 Ų034 Ų340%017%0.166CC..Hα-helixtrans-58.7-49.6173.6-73.5163.4000110.8T1120 L1121 R1122 V1127 L1128 V1167 V1171 L1181 F1287 Y1291T1120-I1124 HydrophobicContact CG2-CD1 3.84Å; T1120-I1124 WeakPolarHBondContact O-CB 3.48Å; T1120-I1124 WeakPolarHBondContact O-CD1 3.48Å; T1120-I1124 WeakPolarHBondContact O-CG1 3.31Å; T1120-I1124 PolarHBondContact O-N 3.41Å; L1121-I1124 WeakPolarHBondContact O-CB 3.5Å; L1121-I1124 PolarHBondContact O-N 3.1Å; R1122-I1124 PolarHBondContact O-N 2.93Å; I1124-V1127 CarbonylContact O-C 3.36Å; I1124-V1127 VanDerWaalsContact O-C 3.23Å; I1124-V1127 PolarHBondContact O-N 3.15Å; I1124-L1128 WeakPolarHBondContact O-CA 3.27Å; I1124-L1128 WeakPolarHBondContact O-CB 3.46Å; I1124-L1128 PolarHBondContact O-N 3.05Å; I1124-V1167 HydrophobicContact CG2-CG1 4.22Å; I1124-V1171 HydrophobicContact CG1-CG2 4.12Å; I1124-L1181 HydrophobicContact CD1-CB 4.47Å; I1124-L1181 HydrophobicContact CD1-CD2 3.8Å; I1124-F1287 HydrophobicContact CD1-CE1 4.25Å; I1124-F1287 HydrophobicContact CD1-CZ 4.33Å; I1124-F1287 HydrophobicContact CG2-CE1 3.92Å; I1124-F1287 HydrophobicContact CG2-CZ 3.64Å; I1124-Y1291 HydrophobicContact CD1-CD1 3.92Å; I1124-Y1291 HydrophobicContact CD1-CD2 3.65Å; I1124-Y1291 HydrophobicContact CD1-CE1 3.77Å; I1124-Y1291 HydrophobicContact CD1-CE2 3.5Å; I1124-Y1291 HydrophobicContact CD1-CG 3.87Å; I1124-Y1291 HydrophobicContact CG1-CD2 4.13Å; I1124-Y1291 HydrophobicContact CG1-CE2 3.64Å
1125L94.7Very high93.1Very high2 Ų235 Ų351%0.0117%0.173CC..Hα-helixtrans-66.8-40.3-178.2-65.9178.6000111.7V958 I962 L1121 R1122 L1128 L1129 F1143 L1145 L1148V958-L1125 HydrophobicContact CG2-CD1 3.94Å; I962-L1125 HydrophobicContact CD1-CB 3.7Å; I962-L1125 HydrophobicContact CG1-CB 4.43Å; L1121-L1125 HydrophobicContact CD1-CD1 4.17Å; L1121-L1125 HydrophobicContact CD1-CD2 4.3Å; L1121-L1125 HydrophobicContact CD1-CG 3.98Å; L1121-L1125 HydrophobicContact CD2-CD1 4.43Å; L1121-L1125 HydrophobicContact CG-CD1 3.88Å; L1121-L1125 HydrophobicContact CG-CG 4.11Å; L1121-L1125 WeakPolarHBondContact O-CB 3.42Å; L1121-L1125 VanDerWaalsContact O-CG 3.23Å; L1121-L1125 WeakPolarHBondContact O-CG 3.38Å; L1121-L1125 PolarHBondContact O-N 3.39Å; R1122-L1125 PolarHBondContact O-N 2.93Å; L1125-L1128 CarbonylContact O-C 3.3Å; L1125-L1128 WeakPolarHBondContact O-CA 3.28Å; L1125-L1128 PolarHBondContact O-N 3.45Å; L1125-L1129 PolarHBondContact O-N 2.85Å; L1125-F1143 HydrophobicContact CD2-CE1 4.49Å; L1125-F1143 HydrophobicContact CD2-CE2 4.06Å; L1125-F1143 HydrophobicContact CD2-CZ 3.54Å; L1125-L1145 HydrophobicContact CD1-CD2 3.93Å; L1125-L1145 HydrophobicContact CD2-CD2 3.54Å; L1125-L1145 HydrophobicContact CG-CD2 4.39Å; L1125-L1148 HydrophobicContact CD2-CD2 4.06Å
1126S92.8Very high92.8Very high28 Ų2839 Ų3920%0.19619%0.194CC..Hα-helixtrans-59.5-47.4170.9-68.20000111.3E961 V963 R1122 Y1123 L1128 S1130E961-S1126 WeakPolarHBondContact O-CB 3Å; E961-S1126 PolarHBondContact O-OG 2.94Å; V963-S1126 PolarHBondContact N-O 3.21Å; V963-S1126 VanDerWaalsContact N-O 3.16Å; R1122-S1126 WeakPolarHBondContact O-CB 3.5Å; R1122-S1126 PolarHBondContact O-N 3.31Å; R1122-S1126 PolarHBondContact O-OG 3.02Å; Y1123-S1126 PolarHBondContact O-N 2.94Å; S1126-L1128 PolarHBondContact O-N 2.73Å; S1126-S1130 PolarHBondContact O-N 3.39Å
1127V95.1Very high92.5Very high2 Ų239.4 Ų39.41%0.01221%0.213CC..Hα-helixtrans-72-3.3172.6178.50000112.7Y1123 I1124 S1130 I1131 V1167 I1170 V1171 F1175Y1123-V1127 VanDerWaalsContact O-CB 3.23Å; Y1123-V1127 WeakPolarHBondContact O-CB 3.47Å; Y1123-V1127 VanDerWaalsContact O-CG2 3.23Å; Y1123-V1127 WeakPolarHBondContact O-CG2 3.26Å; Y1123-V1127 PolarHBondContact O-N 3.15Å; I1124-V1127 CarbonylContact O-C 3.36Å; I1124-V1127 VanDerWaalsContact O-C 3.23Å; I1124-V1127 PolarHBondContact O-N 3.15Å; V1127-S1130 CarbonylContact O-C 3.54Å; V1127-S1130 VanDerWaalsContact O-CA 3.31Å; V1127-S1130 WeakPolarHBondContact O-CA 3.23Å; V1127-S1130 PolarHBondContact O-N 2.78Å; V1127-I1131 VanDerWaalsContact O-CG1 3.26Å; V1127-I1131 WeakPolarHBondContact O-CG1 2.72Å; V1127-I1131 PolarHBondContact O-N 2.97Å; V1127-V1167 HydrophobicContact CG1-CG1 4.26Å; V1127-I1170 HydrophobicContact CG1-CB 3.76Å; V1127-I1170 HydrophobicContact CG1-CG2 3.56Å; V1127-I1170 HydrophobicContact CG2-CG2 4.21Å; V1127-V1171 HydrophobicContact CB-CG2 3.65Å; V1127-V1171 HydrophobicContact CG1-CG2 3.77Å; V1127-V1171 HydrophobicContact CG2-CG2 3.8Å; V1127-F1175 HydrophobicContact CG2-CD2 3.96Å; V1127-F1175 HydrophobicContact CG2-CE2 3.56Å
1128L94.6Very high92.4Very high0 Ų036.5 Ų36.50%020%0.201CC..Hα-helixtrans-120.33.1179.2-173.368.2000114.1I1124 L1125 S1126 I1131 G1132 F1143 Y1147 L1148 L1151 L1163 V1167I1124-L1128 WeakPolarHBondContact O-CA 3.27Å; I1124-L1128 WeakPolarHBondContact O-CB 3.46Å; I1124-L1128 PolarHBondContact O-N 3.05Å; L1125-L1128 CarbonylContact O-C 3.3Å; L1125-L1128 WeakPolarHBondContact O-CA 3.28Å; L1125-L1128 PolarHBondContact O-N 3.45Å; S1126-L1128 PolarHBondContact O-N 2.73Å; L1128-I1131 CarbonylContact C-O 3.58Å; L1128-I1131 WeakPolarHBondContact CD1-O 3.45Å; L1128-I1131 CarbonylContact O-C 3.43Å; L1128-G1132 WeakPolarHBondContact O-CA 3.4Å; L1128-G1132 PolarHBondContact O-N 3.02Å; L1128-F1143 HydrophobicContact CB-CE1 4.3Å; L1128-F1143 HydrophobicContact CB-CZ 3.85Å; L1128-F1143 HydrophobicContact CD2-CE2 3.55Å; L1128-F1143 HydrophobicContact CD2-CZ 3.49Å; L1128-F1143 VanDerWaalsContact CD2-CZ 3.49Å; L1128-F1143 HydrophobicContact CG-CE1 4.22Å; L1128-F1143 HydrophobicContact CG-CE2 3.95Å; L1128-F1143 HydrophobicContact CG-CZ 3.57Å; L1128-F1143 WeakPolarHBondContact O-CE1 3.38Å; L1128-Y1147 HydrophobicContact CD1-CE1 4.47Å; L1128-L1148 HydrophobicContact CD2-CD2 3.4Å; L1128-L1151 HydrophobicContact CD1-CD1 3.96Å; L1128-L1151 HydrophobicContact CD1-CD2 3.36Å; L1128-L1151 HydrophobicContact CD1-CG 4.27Å; L1128-L1151 HydrophobicContact CD2-CD1 3.38Å; L1128-L1151 HydrophobicContact CD2-CD2 3.95Å; L1128-L1151 HydrophobicContact CD2-CG 4.24Å; L1128-L1151 HydrophobicContact CG-CD1 4.33Å; L1128-L1151 HydrophobicContact CG-CD2 4.23Å; L1128-L1163 HydrophobicContact CD1-CD2 4.07Å; L1128-V1167 HydrophobicContact CD1-CG2 3.67Å
1129L93.9Very high92.1Very high3 Ų342.9 Ų42.92%0.01624%0.24CC..Hα-helix-84.6-29.5122.3-112.958.8000112.5I962 V963 P964 V965 L1125 I1131 G1132 N1133 A1140 R1141 F1143I962-L1129 HydrophobicContact CB-CB 4.04Å; I962-L1129 HydrophobicContact CB-CD2 4.44Å; I962-L1129 HydrophobicContact CG2-CB 3.31Å; I962-L1129 HydrophobicContact CG2-CD1 3.61Å; I962-L1129 HydrophobicContact CG2-CD2 3.79Å; I962-L1129 HydrophobicContact CG2-CG 3.7Å; I962-L1129 WeakPolarHBondContact O-CD2 3.26Å; V963-L1129 CarbonylContact C-O 3.44Å; P964-L1129 CarbonylContact C-O 3.44Å; P964-L1129 WeakPolarHBondContact CA-O 3.31Å; V965-L1129 PolarHBondContact N-O 3.31Å; L1125-L1129 PolarHBondContact O-N 2.85Å; L1129-I1131 CarbonylContact O-C 3.53Å; L1129-I1131 VanDerWaalsContact O-CA 3.28Å; L1129-I1131 WeakPolarHBondContact O-CA 3.42Å; L1129-I1131 PolarHBondContact O-N 3.47Å; L1129-G1132 WeakPolarHBondContact O-CA 3.11Å; L1129-G1132 PolarHBondContact O-N 3.06Å; L1129-N1133 HydrophobicContact CD2-CB 4.41Å; L1129-N1133 WeakPolarHBondContact CD2-ND2 3.09Å; L1129-N1133 WeakPolarHBondContact CD2-OD1 3.2Å; L1129-N1133 HydrophobicContact CG-CB 4.45Å; L1129-N1133 VanDerWaalsContact CG-OD1 3.29Å; L1129-N1133 WeakPolarHBondContact CG-OD1 3.4Å; L1129-A1140 WeakPolarHBondContact CD2-O 3.32Å; L1129-R1141 WeakPolarHBondContact CD2-O 2.99Å; L1129-F1143 HydrophobicContact CD1-CD1 3.5Å; L1129-F1143 HydrophobicContact CD1-CE1 4.17Å; L1129-F1143 HydrophobicContact CD1-CG 4.41Å
1130S92.7Very high91.8Very high40 Ų4039.6 Ų39.628%0.2823%0.234SC..THydrogen-bonded Turntrans-62-4.1171.1-127.90000115.2V963 P964 S1126 V1127V963-S1130 WeakPolarHBondContact O-CA 3.13Å; V963-S1130 WeakPolarHBondContact O-CB 3.38Å; V963-S1130 PolarHBondContact O-N 3.39Å; V963-S1130 PolarHBondContact O-OG 2.87Å; P964-S1130 CarbonylContact O-C 3.54Å; S1126-S1130 PolarHBondContact O-N 3.39Å; V1127-S1130 CarbonylContact O-C 3.54Å; V1127-S1130 VanDerWaalsContact O-CA 3.31Å; V1127-S1130 WeakPolarHBondContact O-CA 3.23Å; V1127-S1130 PolarHBondContact O-N 2.78Å
1131I93.1Very high91.5Very high21 Ų2145.5 Ų45.511%0.10826%0.256CS..THydrogen-bonded Turntrans-137.286.6138.84.3-171.4000109.4V965 V1127 L1128 L1129 L1163 H1166 V1167 I1170V965-I1131 VanDerWaalsContact CA-CA 3.49Å; V965-I1131 HydrophobicContact CB-CB 4.14Å; V965-I1131 HydrophobicContact CB-CG2 3.84Å; V965-I1131 VanDerWaalsContact CG1-CA 3.4Å; V965-I1131 HydrophobicContact CG1-CB 3.62Å; V965-I1131 HydrophobicContact CG1-CG2 3.68Å; V965-I1131 WeakPolarHBondContact CG1-O 3.18Å; V1127-I1131 VanDerWaalsContact O-CG1 3.26Å; V1127-I1131 WeakPolarHBondContact O-CG1 2.72Å; V1127-I1131 PolarHBondContact O-N 2.97Å; L1128-I1131 CarbonylContact C-O 3.58Å; L1128-I1131 WeakPolarHBondContact CD1-O 3.45Å; L1128-I1131 CarbonylContact O-C 3.43Å; L1129-I1131 CarbonylContact O-C 3.53Å; L1129-I1131 VanDerWaalsContact O-CA 3.28Å; L1129-I1131 WeakPolarHBondContact O-CA 3.42Å; L1129-I1131 PolarHBondContact O-N 3.47Å; I1131-L1163 HydrophobicContact CB-CD1 3.77Å; I1131-L1163 HydrophobicContact CB-CD2 4.31Å; I1131-L1163 HydrophobicContact CB-CG 4.35Å; I1131-L1163 HydrophobicContact CD1-CD1 3.71Å; I1131-L1163 HydrophobicContact CD1-CG 4.28Å; I1131-L1163 HydrophobicContact CG1-CD1 4.23Å; I1131-L1163 HydrophobicContact CG2-CD1 3.62Å; I1131-H1166 HydrophobicContact CD1-CB 3.63Å; I1131-V1167 HydrophobicContact CD1-CB 4.23Å; I1131-V1167 HydrophobicContact CD1-CG2 3.6Å; I1131-V1167 VanDerWaalsContact CD1-N 3.29Å; I1131-V1167 HydrophobicContact CG1-CG2 3.8Å; I1131-I1170 HydrophobicContact CD1-CD1 4.18Å
1132G91Very high91.2Very high7 Ų746.4 Ų46.47%0.07227%0.267CS..THydrogen-bonded Turntrans-159.1-35.1171.900000119.9V965 L1128 L1129 N1136V965-G1132 VanDerWaalsContact CB-CA 3.4Å; V965-G1132 VanDerWaalsContact CG1-CA 3.46Å; V965-G1132 WeakPolarHBondContact CG2-O 3.3Å; L1128-G1132 WeakPolarHBondContact O-CA 3.4Å; L1128-G1132 PolarHBondContact O-N 3.02Å; L1129-G1132 WeakPolarHBondContact O-CA 3.11Å; L1129-G1132 PolarHBondContact O-N 3.06Å; G1132-N1136 PolarHBondContact O-ND2 3.5Å
1133N93.7Very high91Very high7 Ų744.2 Ų44.24%0.03726%0.259CS..SBendtrans-111.1-43.9171.4-54.4-14.9000124.7P964 V965 L1129 L1135 N1136 G1137 S1138 T1139 A1140P964-N1133 VanDerWaalsContact CA-N 3.31Å; P964-N1133 HydrophobicContact CB-CB 3.95Å; P964-N1133 WeakPolarHBondContact CD-ND2 3.27Å; P964-N1133 HydrophobicContact CG-CB 3.79Å; V965-N1133 CarbonylContact O-C 3.54Å; L1129-N1133 HydrophobicContact CD2-CB 4.41Å; L1129-N1133 WeakPolarHBondContact CD2-ND2 3.09Å; L1129-N1133 WeakPolarHBondContact CD2-OD1 3.2Å; L1129-N1133 HydrophobicContact CG-CB 4.45Å; L1129-N1133 VanDerWaalsContact CG-OD1 3.29Å; L1129-N1133 WeakPolarHBondContact CG-OD1 3.4Å; N1133-L1135 PolarHBondContact O-N 3.29Å; N1133-N1136 CarbonylContact O-C 3.39Å; N1133-N1136 WeakPolarHBondContact O-CA 3.45Å; N1133-N1136 VanDerWaalsContact O-CB 3.27Å; N1133-N1136 WeakPolarHBondContact O-CB 3.39Å; N1133-N1136 PolarHBondContact O-N 3.31Å; N1133-G1137 PolarHBondContact O-N 3.14Å; N1133-S1138 WeakPolarHBondContact CA-OG 3.29Å; N1133-S1138 VanDerWaalsContact CB-O 3.31Å; N1133-S1138 WeakPolarHBondContact CB-O 3.2Å; N1133-S1138 WeakPolarHBondContact CB-OG 3.12Å; N1133-S1138 PolarHBondContact O-N 3.33Å; N1133-S1138 PolarHBondContact OD1-OG 2.98Å; N1133-T1139 WeakPolarHBondContact ND2-CA 3.26Å; N1133-A1140 PolarHBondContact ND2-N 3.01Å; N1133-A1140 VanDerWaalsContact ND2-N 3.11Å; N1133-A1140 PolarHBondContact ND2-O 3.34Å; N1133-A1140 WeakPolarHBondContact OD1-CB 3.21Å
1134F91.5Very high90.7Very high142 Ų14243.2 Ų43.262%0.62326%0.258SS*.THydrogen-bonded Turntrans-53.6-24.1-148.7126.8-127.5000117.1P964 V965P964-F1134 VanDerWaalsContact CB-CA 3.49Å; P964-F1134 HydrophobicContact CB-CB 3.19Å; P964-F1134 HydrophobicContact CG-CB 4.49Å; V965-F1134 CarbonylContact O-C 3.59Å; V965-F1134 PolarHBondContact O-N 3.46Å
1135L89Confident90.5Very high71 Ų7143.2 Ų43.237%0.37226%0.258SS..THydrogen-bonded Turntrans-149.7-25.4-145.1-130.6-166.1000103.5V965 K966 N1133 G1137V965-L1135 VanDerWaalsContact C-CB 3.4Å; V965-L1135 CarbonylContact O-C 3.59Å; V965-L1135 VanDerWaalsContact O-C 3.27Å; V965-L1135 WeakPolarHBondContact O-CA 3.24Å; V965-L1135 WeakPolarHBondContact O-CB 3.13Å; V965-L1135 PolarHBondContact O-N 3.32Å; K966-L1135 HydrophobicContact CB-CB 3.58Å; K966-L1135 HydrophobicContact CB-CD1 4Å; K966-L1135 HydrophobicContact CB-CD2 4.22Å; K966-L1135 HydrophobicContact CB-CG 4.1Å; K966-L1135 HydrophobicContact CD-CD2 3.95Å; K966-L1135 VanDerWaalsContact CE-C 3.43Å; K966-L1135 WeakPolarHBondContact CE-O 3.34Å; N1133-L1135 PolarHBondContact O-N 3.29Å; L1135-G1137 VanDerWaalsContact N-N 3.15Å; L1135-G1137 PolarHBondContact O-N 2.9Å
1136N88.4Confident90.2Very high91 Ų9144.1 Ų44.149%0.48726%0.263SS..THydrogen-bonded Turntrans-53.1-15.7136.7-94.50.4000112.3V965 G1132 N1133 S1138V965-N1136 HydrophobicContact CG2-CB 3.69Å; V965-N1136 WeakPolarHBondContact CG2-ND2 3.03Å; V965-N1136 PolarHBondContact O-N 3.29Å; G1132-N1136 PolarHBondContact O-ND2 3.5Å; N1133-N1136 CarbonylContact O-C 3.39Å; N1133-N1136 WeakPolarHBondContact O-CA 3.45Å; N1133-N1136 VanDerWaalsContact O-CB 3.27Å; N1133-N1136 WeakPolarHBondContact O-CB 3.39Å; N1133-N1136 PolarHBondContact O-N 3.31Å; N1136-S1138 VanDerWaalsContact C-N 3.3Å; N1136-S1138 PolarHBondContact O-N 2.88Å
1137G85.4Confident90.1Very high67 Ų6743.5 Ų43.569%0.69126%0.256SS*.THydrogen-bonded Turntrans73.211.717800000115.4N1133 L1135N1133-G1137 PolarHBondContact O-N 3.14Å; L1135-G1137 VanDerWaalsContact N-N 3.15Å; L1135-G1137 PolarHBondContact O-N 2.9Å
1138S88Confident90Very high46 Ų4643.4 Ų43.432%0.32226%0.256SS..  trans-95.9174.4-172.772.10000113.5N1133 N1136N1133-S1138 WeakPolarHBondContact CA-OG 3.29Å; N1133-S1138 VanDerWaalsContact CB-O 3.31Å; N1133-S1138 WeakPolarHBondContact CB-O 3.2Å; N1133-S1138 WeakPolarHBondContact CB-OG 3.12Å; N1133-S1138 PolarHBondContact O-N 3.33Å; N1133-S1138 PolarHBondContact OD1-OG 2.98Å; N1136-S1138 VanDerWaalsContact C-N 3.3Å; N1136-S1138 PolarHBondContact O-N 2.88Å
1139T87.2Confident89.8Confident139 Ų13944.6 Ų44.685%0.85327%0.268SS*.  trans-130.937.8166.4510000110N1133N1133-T1139 WeakPolarHBondContact ND2-CA 3.26Å
1140A86.4Confident89.6Confident44 Ų4447.1 Ų47.136%0.36428%0.277SS..  trans-57.9154.517400000110L1129 N1133L1129-A1140 WeakPolarHBondContact CD2-O 3.32Å; N1133-A1140 PolarHBondContact ND2-N 3.01Å; N1133-A1140 VanDerWaalsContact ND2-N 3.11Å; N1133-A1140 PolarHBondContact ND2-O 3.34Å; N1133-A1140 WeakPolarHBondContact OD1-CB 3.21Å
1141R86.7Confident89.6Confident124 Ų12445.2 Ų45.247%0.46826%0.264SS..SBendtrans-81.2-42.7168.2-73.7-176.2-160.5-1685.2109I912 W959 I962 L1129I912-R1141 VanDerWaalsContact CG2-NH2 3.34Å; W959-R1141 CarbonylContact C-O 3.59Å; W959-R1141 WeakPolarHBondContact CA-O 3.31Å; W959-R1141 VanDerWaalsContact CB-C 3.48Å; W959-R1141 HydrophobicContact CB-CB 3.73Å; W959-R1141 CarbonylContact O-C 3.57Å; W959-R1141 WeakPolarHBondContact O-CA 3.15Å; W959-R1141 WeakPolarHBondContact O-CB 3.4Å; I962-R1141 VanDerWaalsContact CG2-O 3.26Å; I962-R1141 WeakPolarHBondContact CG2-O 3.39Å; L1129-R1141 WeakPolarHBondContact CD2-O 2.99Å
1142G87.1Confident89.4Confident24 Ų2445.5 Ų45.525%0.24727%0.267CS..  trans-168.8-171.4-177.600000116.9W959W959-G1142 VanDerWaalsContact CE3-CA 3.44Å
1143F90.8Very high89.4Confident24 Ų2447.3 Ų47.311%0.10527%0.274CS..  trans-147.2123.1-16164.5-83.4000109.2W959 I962 L1125 L1128 L1129 Y1147 L1148W959-F1143 VanDerWaalsContact CE3-N 3.35Å; W959-F1143 VanDerWaalsContact CH2-C 3.45Å; W959-F1143 WeakPolarHBondContact CH2-O 3.47Å; W959-F1143 HydrophobicContact CZ3-CD1 4.4Å; W959-F1143 WeakPolarHBondContact CZ3-O 3.25Å; I962-F1143 HydrophobicContact CD1-CE1 4.33Å; I962-F1143 HydrophobicContact CG2-CD1 3.92Å; I962-F1143 HydrophobicContact CG2-CE1 3.7Å; L1125-F1143 HydrophobicContact CD2-CE1 4.49Å; L1125-F1143 HydrophobicContact CD2-CE2 4.06Å; L1125-F1143 HydrophobicContact CD2-CZ 3.54Å; L1128-F1143 HydrophobicContact CB-CE1 4.3Å; L1128-F1143 HydrophobicContact CB-CZ 3.85Å; L1128-F1143 HydrophobicContact CD2-CE2 3.55Å; L1128-F1143 HydrophobicContact CD2-CZ 3.49Å; L1128-F1143 VanDerWaalsContact CD2-CZ 3.49Å; L1128-F1143 HydrophobicContact CG-CE1 4.22Å; L1128-F1143 HydrophobicContact CG-CE2 3.95Å; L1128-F1143 HydrophobicContact CG-CZ 3.57Å; L1128-F1143 WeakPolarHBondContact O-CE1 3.38Å; L1129-F1143 HydrophobicContact CD1-CD1 3.5Å; L1129-F1143 HydrophobicContact CD1-CE1 4.17Å; L1129-F1143 HydrophobicContact CD1-CG 4.41Å; F1143-Y1147 HydrophobicContact CB-CD1 4.47Å; F1143-Y1147 AromaticContact CD2-CD1 3.48Å; F1143-Y1147 HydrophobicContact CD2-CD1 3.48Å; F1143-Y1147 VanDerWaalsContact CD2-CD1 3.48Å; F1143-Y1147 HydrophobicContact CD2-CE1 4.46Å; F1143-Y1147 HydrophobicContact CD2-CG 4.16Å; F1143-Y1147 AromaticContact CE2-CD1 3.97Å; F1143-Y1147 HydrophobicContact CE2-CD1 3.97Å; F1143-Y1147 HydrophobicContact CG-CD1 4.12Å; F1143-L1148 HydrophobicContact CE2-CD2 4.34Å
1144T87.9Confident89.2Confident25 Ų2547 Ų4715%0.15327%0.272CS..  trans-63.3146.4-17462.60000112.3W959 D1146 Y1147 R1271W959-T1144 HydrophobicContact CZ2-CG2 4.15Å; T1144-D1146 WeakPolarHBondContact CB-OD2 3.33Å; T1144-D1146 PolarHBondContact O-N 3.11Å; T1144-D1146 PolarHBondContact OG1-OD2 3.23Å; T1144-Y1147 PolarHBondContact O-N 3.19Å; T1144-R1271 PolarHBondContact OG1-NH1 2.9Å
1145L90.6Very high89.1Confident1 Ų143.7 Ų43.71%0.00526%0.258CS..G310 helixtrans-61.6-14.4-165.8-66.4170.6000114.2W959 L1125 Y1147 L1148 L1265 Y1267 F1280 I1283W959-L1145 HydrophobicContact CH2-CG 4.45Å; L1125-L1145 HydrophobicContact CD1-CD2 3.93Å; L1125-L1145 HydrophobicContact CD2-CD2 3.54Å; L1125-L1145 HydrophobicContact CG-CD2 4.39Å; L1145-Y1147 PolarHBondContact O-N 3.26Å; L1145-Y1147 VanDerWaalsContact O-N 3.08Å; L1145-L1148 HydrophobicContact CB-CD1 4.25Å; L1145-L1148 HydrophobicContact CD2-CD1 3.87Å; L1145-L1148 HydrophobicContact CD2-CG 4.42Å; L1145-L1148 VanDerWaalsContact O-CB 3.26Å; L1145-L1148 WeakPolarHBondContact O-CB 3.24Å; L1145-L1148 VanDerWaalsContact O-CG 3.22Å; L1145-L1148 WeakPolarHBondContact O-CG 3.19Å; L1145-L1148 PolarHBondContact O-N 3.08Å; L1145-L1265 HydrophobicContact CD1-CB 3.96Å; L1145-L1265 HydrophobicContact CD1-CD1 3.87Å; L1145-L1265 HydrophobicContact CD1-CD2 4.28Å; L1145-L1265 HydrophobicContact CD1-CG 4.26Å; L1145-Y1267 HydrophobicContact CB-CE2 4.27Å; L1145-Y1267 HydrophobicContact CD1-CE2 4.31Å; L1145-Y1267 HydrophobicContact CG-CE2 4.33Å; L1145-Y1267 PolarHBondContact N-OH 2.7Å; L1145-F1280 HydrophobicContact CD1-CE2 3.85Å; L1145-F1280 HydrophobicContact CD1-CZ 4.2Å; L1145-I1283 WeakPolarHBondContact O-CG2 3.24Å
1146D88.8Confident89Confident20 Ų2041.9 Ų41.911%0.10725%0.248CC..G310 helixtrans-57.1-20170.1-23.2-110.4000113.5T1144 L1148 Y1267 R1271 Y1279 I1283T1144-D1146 WeakPolarHBondContact CB-OD2 3.33Å; T1144-D1146 PolarHBondContact O-N 3.11Å; T1144-D1146 PolarHBondContact OG1-OD2 3.23Å; D1146-L1148 PolarHBondContact O-N 2.88Å; D1146-Y1267 PolarHBondContact OD2-OH 2.89Å; D1146-R1271 IonicContact OD1-CZ 3.3Å; D1146-R1271 IonicContact OD1-NH2 2.68Å; D1146-R1271 PolarHBondContact OD1-NH2 3.21Å; D1146-R1271 IonicContact OD2-CZ 3.04Å; D1146-R1271 IonicContact OD2-NH1 2.78Å; D1146-R1271 IonicContact OD2-NH2 2.72Å; D1146-R1271 PolarHBondContact OD2-NH2 3.34Å; D1146-Y1279 PolarHBondContact OD1-OH 2.7Å; D1146-I1283 HydrophobicContact CB-CD1 4.19Å
1147Y90.7Very high88.7Confident15 Ų1542.8 Ų42.86%0.05926%0.257CS..G310 helixtrans-67.9-22.1173.7-174-142.4000113.4W899 L967 L1128 F1143 T1144 L1145 G1149 R1150 L1151W899-Y1147 AromaticContact CH2-CD2 3.7Å; W899-Y1147 HydrophobicContact CH2-CD2 3.7Å; W899-Y1147 AromaticContact CH2-CE2 3.6Å; W899-Y1147 HydrophobicContact CH2-CE2 3.6Å; W899-Y1147 HydrophobicContact CH2-CG 4.49Å; W899-Y1147 AromaticContact CZ3-CD2 3.35Å; W899-Y1147 HydrophobicContact CZ3-CD2 3.35Å; W899-Y1147 AromaticContact CZ3-CE2 3.78Å; W899-Y1147 HydrophobicContact CZ3-CE2 3.78Å; W899-Y1147 AromaticContact CZ3-CG 3.84Å; W899-Y1147 HydrophobicContact CZ3-CG 3.84Å; L967-Y1147 HydrophobicContact CD1-CE2 4.23Å; L967-Y1147 WeakPolarHBondContact CD1-OH 3.5Å; L1128-Y1147 HydrophobicContact CD1-CE1 4.47Å; F1143-Y1147 HydrophobicContact CB-CD1 4.47Å; F1143-Y1147 AromaticContact CD2-CD1 3.48Å; F1143-Y1147 HydrophobicContact CD2-CD1 3.48Å; F1143-Y1147 VanDerWaalsContact CD2-CD1 3.48Å; F1143-Y1147 HydrophobicContact CD2-CE1 4.46Å; F1143-Y1147 HydrophobicContact CD2-CG 4.16Å; F1143-Y1147 AromaticContact CE2-CD1 3.97Å; F1143-Y1147 HydrophobicContact CE2-CD1 3.97Å; F1143-Y1147 HydrophobicContact CG-CD1 4.12Å; T1144-Y1147 PolarHBondContact O-N 3.19Å; L1145-Y1147 PolarHBondContact O-N 3.26Å; L1145-Y1147 VanDerWaalsContact O-N 3.08Å; Y1147-G1149 VanDerWaalsContact C-N 3.25Å; Y1147-G1149 PolarHBondContact O-N 3.45Å; Y1147-R1150 HydrophobicContact CD2-CB 3.96Å; Y1147-R1150 HydrophobicContact CD2-CG 4.5Å; Y1147-R1150 HydrophobicContact CE2-CB 4.3Å; Y1147-R1150 WeakPolarHBondContact O-CB 3.39Å; Y1147-R1150 PolarHBondContact O-N 3.27Å; Y1147-L1151 HydrophobicContact CD1-CD2 4.14Å; Y1147-L1151 HydrophobicContact CE1-CD2 4.02Å
1148L93.4Very high88.4Confident0 Ų046.9 Ų46.90%026%0.256CS..G310 helixtrans-58.6-36.2-174.6-69179.4000112.7L1125 L1128 F1143 L1145 D1146 R1150 L1151 I1283 L1284 F1287L1125-L1148 HydrophobicContact CD2-CD2 4.06Å; L1128-L1148 HydrophobicContact CD2-CD2 3.4Å; F1143-L1148 HydrophobicContact CE2-CD2 4.34Å; L1145-L1148 HydrophobicContact CB-CD1 4.25Å; L1145-L1148 HydrophobicContact CD2-CD1 3.87Å; L1145-L1148 HydrophobicContact CD2-CG 4.42Å; L1145-L1148 VanDerWaalsContact O-CB 3.26Å; L1145-L1148 WeakPolarHBondContact O-CB 3.24Å; L1145-L1148 VanDerWaalsContact O-CG 3.22Å; L1145-L1148 WeakPolarHBondContact O-CG 3.19Å; L1145-L1148 PolarHBondContact O-N 3.08Å; D1146-L1148 PolarHBondContact O-N 2.88Å; L1148-R1150 PolarHBondContact O-N 3Å; L1148-L1151 HydrophobicContact CD2-CD1 3.93Å; L1148-L1151 WeakPolarHBondContact O-CD1 3.17Å; L1148-L1151 VanDerWaalsContact O-CG 3.26Å; L1148-L1151 WeakPolarHBondContact O-CG 3.42Å; L1148-I1283 HydrophobicContact CB-CG2 4.33Å; L1148-L1284 HydrophobicContact CD1-CD2 3.51Å; L1148-F1287 HydrophobicContact CB-CB 3.87Å; L1148-F1287 HydrophobicContact CB-CD1 4.11Å; L1148-F1287 HydrophobicContact CB-CD2 3.88Å; L1148-F1287 HydrophobicContact CB-CG 3.64Å; L1148-F1287 HydrophobicContact CD1-CD1 3.78Å; L1148-F1287 HydrophobicContact CD1-CE1 4.25Å; L1148-F1287 HydrophobicContact CD1-CG 4.17Å; L1148-F1287 HydrophobicContact CD2-CD1 4.19Å; L1148-F1287 HydrophobicContact CD2-CD2 4.42Å; L1148-F1287 HydrophobicContact CD2-CE1 4.03Å; L1148-F1287 HydrophobicContact CD2-CE2 4.3Å; L1148-F1287 HydrophobicContact CD2-CG 4.38Å; L1148-F1287 HydrophobicContact CD2-CZ 4.12Å; L1148-F1287 HydrophobicContact CG-CD1 4.26Å; L1148-F1287 HydrophobicContact CG-CG 4.28Å; L1148-F1287 WeakPolarHBondContact O-CD2 3.45Å
1149G89Confident88.1Confident25 Ų2552 Ų5226%0.25827%0.269SS..G310 helixtrans-69.6-11.2174.600000115.2Y1147 P1152Y1147-G1149 VanDerWaalsContact C-N 3.25Å; Y1147-G1149 PolarHBondContact O-N 3.45Å; G1149-P1152 WeakPolarHBondContact O-CD 3.12Å
1150R90.7Very high88Confident57 Ų5751.7 Ų51.722%0.21526%0.256CS..G310 helixtrans-95.3-7.7-179.7-57.6-164.2-178.4123.62.8114.8W899 Y1147 L1148 P1152 E1153 V1154W899-R1150 VanDerWaalsContact CE3-NH1 3.31Å; Y1147-R1150 HydrophobicContact CD2-CB 3.96Å; Y1147-R1150 HydrophobicContact CD2-CG 4.5Å; Y1147-R1150 HydrophobicContact CE2-CB 4.3Å; Y1147-R1150 WeakPolarHBondContact O-CB 3.39Å; Y1147-R1150 PolarHBondContact O-N 3.27Å; L1148-R1150 PolarHBondContact O-N 3Å; R1150-P1152 VanDerWaalsContact C-CD 3.4Å; R1150-E1153 WeakPolarHBondContact CA-OE2 3.33Å; R1150-E1153 VanDerWaalsContact CB-OE2 3.25Å; R1150-E1153 WeakPolarHBondContact CB-OE2 3.42Å; R1150-E1153 VanDerWaalsContact CG-OE2 3.29Å; R1150-E1153 WeakPolarHBondContact CG-OE2 3.44Å; R1150-E1153 WeakPolarHBondContact O-CB 3.32Å; R1150-E1153 PolarHBondContact O-N 3.33Å; R1150-V1154 PolarHBondContact O-N 3.06Å
1151L92.6Very high88.1Confident0 Ų052 Ų520%025%0.252CS..THydrogen-bonded Turntrans-68.3-30.4-179.2-49.9174.8000115.2L1128 Y1147 L1148 E1153 L1163 L1164 F1287L1128-L1151 HydrophobicContact CD1-CD1 3.96Å; L1128-L1151 HydrophobicContact CD1-CD2 3.36Å; L1128-L1151 HydrophobicContact CD1-CG 4.27Å; L1128-L1151 HydrophobicContact CD2-CD1 3.38Å; L1128-L1151 HydrophobicContact CD2-CD2 3.95Å; L1128-L1151 HydrophobicContact CD2-CG 4.24Å; L1128-L1151 HydrophobicContact CG-CD1 4.33Å; L1128-L1151 HydrophobicContact CG-CD2 4.23Å; Y1147-L1151 HydrophobicContact CD1-CD2 4.14Å; Y1147-L1151 HydrophobicContact CE1-CD2 4.02Å; L1148-L1151 HydrophobicContact CD2-CD1 3.93Å; L1148-L1151 WeakPolarHBondContact O-CD1 3.17Å; L1148-L1151 VanDerWaalsContact O-CG 3.26Å; L1148-L1151 WeakPolarHBondContact O-CG 3.42Å; L1151-E1153 VanDerWaalsContact C-N 3.34Å; L1151-L1163 HydrophobicContact CD2-CD2 3.75Å; L1151-L1163 WeakPolarHBondContact O-CB 3.44Å; L1151-L1163 PolarHBondContact O-N 3.33Å; L1151-L1164 HydrophobicContact CB-CB 3.93Å; L1151-L1164 PolarHBondContact O-N 3.27Å; L1151-F1287 HydrophobicContact CD1-CD2 4.13Å; L1151-F1287 HydrophobicContact CD1-CE2 3.56Å; L1151-F1287 HydrophobicContact CD1-CZ 4.25Å
1152P89.6Confident88.4Confident27 Ų2747 Ų4718%0.17524%0.236CC..THydrogen-bonded Turntrans-73.9-28.1170.5-3.917.8000112.4G1149 R1150 S1162 L1164 E1290G1149-P1152 WeakPolarHBondContact O-CD 3.12Å; R1150-P1152 VanDerWaalsContact C-CD 3.4Å; P1152-S1162 WeakPolarHBondContact O-CB 3.5Å; P1152-L1164 HydrophobicContact CB-CD2 4.48Å; P1152-L1164 HydrophobicContact CG-CD2 4.05Å; P1152-E1290 HydrophobicContact CG-CB 4.4Å; P1152-E1290 HydrophobicContact CG-CG 4.41Å; P1152-E1290 WeakPolarHBondContact CG-OE1 3.36Å; P1152-E1290 WeakPolarHBondContact CG-OE2 3.49Å
1153E89.1Confident88.8Confident44 Ų4446.4 Ų46.421%0.20623%0.227CC..THydrogen-bonded Turntrans-67.3-56.7-172.7-52.6177.8151.200110.8F971 L972 F976 R1150 L1151 K1155F971-E1153 VanDerWaalsContact CE1-O 3.24Å; F971-E1153 WeakPolarHBondContact CE1-O 3.47Å; L972-E1153 HydrophobicContact CD2-CB 3.47Å; L972-E1153 VanDerWaalsContact CD2-CB 3.47Å; L972-E1153 HydrophobicContact CD2-CG 4.47Å; F976-E1153 HydrophobicContact CE1-CG 4.43Å; F976-E1153 VanDerWaalsContact CE1-OE1 3.3Å; F976-E1153 WeakPolarHBondContact CE1-OE1 3.34Å; F976-E1153 HydrophobicContact CZ-CB 4.12Å; F976-E1153 HydrophobicContact CZ-CG 3.75Å; F976-E1153 WeakPolarHBondContact CZ-OE1 3.33Å; R1150-E1153 WeakPolarHBondContact CA-OE2 3.33Å; R1150-E1153 VanDerWaalsContact CB-OE2 3.25Å; R1150-E1153 WeakPolarHBondContact CB-OE2 3.42Å; R1150-E1153 VanDerWaalsContact CG-OE2 3.29Å; R1150-E1153 WeakPolarHBondContact CG-OE2 3.44Å; R1150-E1153 WeakPolarHBondContact O-CB 3.32Å; R1150-E1153 PolarHBondContact O-N 3.33Å; L1151-E1153 VanDerWaalsContact C-N 3.34Å; E1153-K1155 PolarHBondContact O-NZ 3.1Å
1154V90.2Very high89Confident2 Ų245.2 Ų45.21%0.01222%0.222CC..SBendtrans-76138.8-178.1-168.60000111.3L967 D968 L972 R1150 S1162 L1163L967-V1154 HydrophobicContact CB-CG1 4.09Å; L967-V1154 HydrophobicContact CD1-CB 3.86Å; L967-V1154 HydrophobicContact CD1-CG1 4.13Å; L967-V1154 HydrophobicContact CD1-CG2 3.71Å; L967-V1154 HydrophobicContact CD2-CB 3.93Å; L967-V1154 HydrophobicContact CD2-CG1 3.58Å; L967-V1154 HydrophobicContact CG-CB 4.37Å; L967-V1154 HydrophobicContact CG-CG1 4.12Å; D968-V1154 HydrophobicContact CB-CG1 4.33Å; L972-V1154 HydrophobicContact CD1-CG2 3.57Å; L972-V1154 HydrophobicContact CD2-CG2 3.56Å; L972-V1154 HydrophobicContact CG-CG2 3.69Å; R1150-V1154 PolarHBondContact O-N 3.06Å; V1154-S1162 CarbonylContact O-C 3.56Å; V1154-S1162 VanDerWaalsContact O-CA 3.25Å; V1154-S1162 WeakPolarHBondContact O-CA 3.45Å; V1154-L1163 PolarHBondContact O-N 3.03Å
1155K88.6Confident89.3Confident72 Ų7246.3 Ų46.331%0.31323%0.225SC..BIsolated β-bridgetrans-131.2151.1-171-65.3171.1-173.975.70111.9E1153 N1161E1153-K1155 PolarHBondContact O-NZ 3.1Å; K1155-N1161 CarbonylContact C-O 3.59Å; K1155-N1161 WeakPolarHBondContact CA-O 3.24Å
1156D88.2Confident89.5Confident32 Ų3249.2 Ų49.217%0.17124%0.239CC..  trans-68.3151.5175.198.9-77.2000111.8K1158 Y1159 K1160 N1161D1156-K1158 VanDerWaalsContact C-N 3.34Å; D1156-K1158 PolarHBondContact O-N 3.43Å; D1156-K1158 WeakPolarHBondContact OD2-CA 3.37Å; D1156-K1158 VanDerWaalsContact OD2-CB 3.29Å; D1156-K1158 WeakPolarHBondContact OD2-CB 3.13Å; D1156-K1158 PolarHBondContact OD2-N 2.72Å; D1156-Y1159 VanDerWaalsContact OD1-C 3.27Å; D1156-Y1159 WeakPolarHBondContact OD1-CA 3.33Å; D1156-Y1159 WeakPolarHBondContact OD1-CB 3.48Å; D1156-Y1159 PolarHBondContact OD1-N 2.88Å; D1156-Y1159 VanDerWaalsContact OD1-N 3.1Å; D1156-Y1159 PolarHBondContact OD2-N 3.5Å; D1156-K1160 WeakPolarHBondContact O-CA 3.38Å; D1156-K1160 PolarHBondContact O-N 3.32Å; D1156-K1160 PolarHBondContact OD1-N 2.82Å; D1156-N1161 PolarHBondContact N-O 3.26Å; D1156-N1161 PolarHBondContact OD1-N 3.46Å
1157T82.2Confident89.8Confident111 Ų11148.3 Ų48.368%0.68123%0.234SC*.THydrogen-bonded Turntrans-76-19.1-176.353.80000113.9
1158K78.5Confident90Very high152 Ų15247.6 Ų47.666%0.66123%0.231SC*.THydrogen-bonded Turntrans-99.2-37.4-169.9-172.5179.8179.8-177.80113.7D1156D1156-K1158 VanDerWaalsContact C-N 3.34Å; D1156-K1158 PolarHBondContact O-N 3.43Å; D1156-K1158 WeakPolarHBondContact OD2-CA 3.37Å; D1156-K1158 VanDerWaalsContact OD2-CB 3.29Å; D1156-K1158 WeakPolarHBondContact OD2-CB 3.13Å; D1156-K1158 PolarHBondContact OD2-N 2.72Å
1159Y82.1Confident90Very high153 Ų15348.4 Ų48.460%0.624%0.236SC*.THydrogen-bonded Turntrans-123.7-6.8-177.8-54.7-59000114.1D1156 N1161D1156-Y1159 VanDerWaalsContact OD1-C 3.27Å; D1156-Y1159 WeakPolarHBondContact OD1-CA 3.33Å; D1156-Y1159 WeakPolarHBondContact OD1-CB 3.48Å; D1156-Y1159 PolarHBondContact OD1-N 2.88Å; D1156-Y1159 VanDerWaalsContact OD1-N 3.1Å; D1156-Y1159 PolarHBondContact OD2-N 3.5Å; Y1159-N1161 PolarHBondContact O-N 3.21Å
1160K85.1Confident90.2Very high133 Ų13349.5 Ų49.558%0.57824%0.236SC*.  trans59.425.1-174.1-58.9-69174.3-176.60113.8D1156D1156-K1160 WeakPolarHBondContact O-CA 3.38Å; D1156-K1160 PolarHBondContact O-N 3.32Å; D1156-K1160 PolarHBondContact OD1-N 2.82Å
1161N88.2Confident90.4Very high50 Ų5046.8 Ų46.827%0.26723%0.226SC..  trans-68.5141.7167.3-70.7-30.1000109.8K1155 D1156 Y1159 H1165K1155-N1161 CarbonylContact C-O 3.59Å; K1155-N1161 WeakPolarHBondContact CA-O 3.24Å; D1156-N1161 PolarHBondContact N-O 3.26Å; D1156-N1161 PolarHBondContact OD1-N 3.46Å; Y1159-N1161 PolarHBondContact O-N 3.21Å; N1161-H1165 HydrophobicContact CB-CB 4.1Å; N1161-H1165 PolarHBondContact ND2-NE2 2.61Å
1162S93.8Very high90.4Very high21 Ų2148.1 Ų48.115%0.14723%0.233CC..BIsolated β-bridgetrans-68.5160.9176.155.60000112.8P1152 V1154 L1164 H1165 H1166P1152-S1162 WeakPolarHBondContact O-CB 3.5Å; V1154-S1162 CarbonylContact O-C 3.56Å; V1154-S1162 VanDerWaalsContact O-CA 3.25Å; V1154-S1162 WeakPolarHBondContact O-CA 3.45Å; S1162-L1164 PolarHBondContact O-N 2.81Å; S1162-H1165 VanDerWaalsContact O-CB 3.31Å; S1162-H1165 WeakPolarHBondContact O-CB 3.5Å; S1162-H1165 PolarHBondContact O-N 3.32Å; S1162-H1165 PolarHBondContact OG-N 3.17Å; S1162-H1165 VanDerWaalsContact OG-N 3.15Å; S1162-H1166 PolarHBondContact O-CD2 3.15Å; S1162-H1166 PolarHBondContact O-N 3.3Å
1163L93.9Very high90.4Very high10 Ų1051.6 Ų51.65%0.05225%0.25CC..Hα-helixtrans-56.8-40.4168.5-172.265.6000110.3V965 L967 L1128 I1131 L1151 V1154 H1165 H1166 V1167V965-L1163 HydrophobicContact CG1-CD2 4.03Å; L967-L1163 HydrophobicContact CD1-CD2 3.8Å; L967-L1163 HydrophobicContact CD2-CB 3.95Å; L967-L1163 HydrophobicContact CD2-CD1 3.63Å; L967-L1163 HydrophobicContact CD2-CD2 3.61Å; L967-L1163 HydrophobicContact CD2-CG 3.9Å; L967-L1163 HydrophobicContact CG-CD2 3.97Å; L1128-L1163 HydrophobicContact CD1-CD2 4.07Å; I1131-L1163 HydrophobicContact CB-CD1 3.77Å; I1131-L1163 HydrophobicContact CB-CD2 4.31Å; I1131-L1163 HydrophobicContact CB-CG 4.35Å; I1131-L1163 HydrophobicContact CD1-CD1 3.71Å; I1131-L1163 HydrophobicContact CD1-CG 4.28Å; I1131-L1163 HydrophobicContact CG1-CD1 4.23Å; I1131-L1163 HydrophobicContact CG2-CD1 3.62Å; L1151-L1163 HydrophobicContact CD2-CD2 3.75Å; L1151-L1163 WeakPolarHBondContact O-CB 3.44Å; L1151-L1163 PolarHBondContact O-N 3.33Å; V1154-L1163 PolarHBondContact O-N 3.03Å; L1163-H1165 PolarHBondContact O-N 3.44Å; L1163-H1166 CarbonylContact O-C 3.6Å; L1163-H1166 WeakPolarHBondContact O-CA 3.31Å; L1163-H1166 WeakPolarHBondContact O-CB 3.42Å; L1163-H1166 PolarHBondContact O-N 2.79Å; L1163-V1167 HydrophobicContact CG-CG2 4.23Å; L1163-V1167 WeakPolarHBondContact O-CG2 3.32Å; L1163-V1167 PolarHBondContact O-N 2.68Å
1164L95.5Very high90.5Very high0 Ų054.9 Ų54.90%027%0.265CS..Hα-helixtrans-55-36.2174.3-174.249.8000113L1151 P1152 S1162 H1166 V1167 C1168 F1287 E1290 Y1291 T1294L1151-L1164 HydrophobicContact CB-CB 3.93Å; L1151-L1164 PolarHBondContact O-N 3.27Å; P1152-L1164 HydrophobicContact CB-CD2 4.48Å; P1152-L1164 HydrophobicContact CG-CD2 4.05Å; S1162-L1164 PolarHBondContact O-N 2.81Å; L1164-H1166 VanDerWaalsContact C-N 3.34Å; L1164-V1167 PolarHBondContact O-N 2.78Å; L1164-C1168 VanDerWaalsContact O-CB 3.23Å; L1164-C1168 WeakPolarHBondContact O-CB 3.41Å; L1164-C1168 PolarHBondContact O-N 2.7Å; L1164-F1287 HydrophobicContact CD1-CE2 3.62Å; L1164-F1287 HydrophobicContact CD1-CZ 4.22Å; L1164-F1287 HydrophobicContact CD2-CE2 4.46Å; L1164-E1290 HydrophobicContact CD2-CB 3.72Å; L1164-Y1291 HydrophobicContact CD1-CD2 3.89Å; L1164-T1294 HydrophobicContact CG-CG2 4.15Å
1165H94.3Very high90.5Very high47 Ų4757.4 Ų57.422%0.21828%0.276CS..Hα-helixtrans-65.9-36.3173.3177.9100.7000112.3N1161 S1162 L1163 S1169 T1294 I1298N1161-H1165 HydrophobicContact CB-CB 4.1Å; N1161-H1165 PolarHBondContact ND2-NE2 2.61Å; S1162-H1165 VanDerWaalsContact O-CB 3.31Å; S1162-H1165 WeakPolarHBondContact O-CB 3.5Å; S1162-H1165 PolarHBondContact O-N 3.32Å; S1162-H1165 PolarHBondContact OG-N 3.17Å; S1162-H1165 VanDerWaalsContact OG-N 3.15Å; L1163-H1165 PolarHBondContact O-N 3.44Å; H1165-S1169 VanDerWaalsContact O-CB 3.22Å; H1165-S1169 WeakPolarHBondContact O-CB 3.47Å; H1165-S1169 PolarHBondContact O-N 3.42Å; H1165-S1169 PolarHBondContact O-OG 2.89Å; H1165-T1294 HydrophobicContact CB-CG2 4.07Å; H1165-I1298 WeakPolarHBondContact ND1-CG1 3.42Å; H1165-I1298 WeakPolarHBondContact O-CD1 3.44Å
1166H94.2Very high90.4Very high63 Ų6359.2 Ų59.229%0.29230%0.295SS..Hα-helixtrans-73.2-41.9174.1-70.4-75.8000112.3I1131 S1162 L1163 L1164 S1169 I1170I1131-H1166 HydrophobicContact CD1-CB 3.63Å; S1162-H1166 PolarHBondContact O-CD2 3.15Å; S1162-H1166 PolarHBondContact O-N 3.3Å; L1163-H1166 CarbonylContact O-C 3.6Å; L1163-H1166 WeakPolarHBondContact O-CA 3.31Å; L1163-H1166 WeakPolarHBondContact O-CB 3.42Å; L1163-H1166 PolarHBondContact O-N 2.79Å; L1164-H1166 VanDerWaalsContact C-N 3.34Å; H1166-S1169 PolarHBondContact O-N 3.39Å; H1166-I1170 WeakPolarHBondContact O-CB 3.35Å; H1166-I1170 VanDerWaalsContact O-CG1 3.31Å; H1166-I1170 WeakPolarHBondContact O-CG1 3.49Å; H1166-I1170 PolarHBondContact O-N 2.87Å
1167V95.4Very high90.1Very high0 Ų061.5 Ų61.50%031%0.308CS..Hα-helixtrans-56.7-56.7174.4174.50000108.8I1124 V1127 L1128 I1131 L1163 L1164 S1169 I1170 V1171I1124-V1167 HydrophobicContact CG2-CG1 4.22Å; V1127-V1167 HydrophobicContact CG1-CG1 4.26Å; L1128-V1167 HydrophobicContact CD1-CG2 3.67Å; I1131-V1167 HydrophobicContact CD1-CB 4.23Å; I1131-V1167 HydrophobicContact CD1-CG2 3.6Å; I1131-V1167 VanDerWaalsContact CD1-N 3.29Å; I1131-V1167 HydrophobicContact CG1-CG2 3.8Å; L1163-V1167 HydrophobicContact CG-CG2 4.23Å; L1163-V1167 WeakPolarHBondContact O-CG2 3.32Å; L1163-V1167 PolarHBondContact O-N 2.68Å; L1164-V1167 PolarHBondContact O-N 2.78Å; V1167-S1169 VanDerWaalsContact C-N 3.34Å; V1167-S1169 PolarHBondContact O-N 3.32Å; V1167-I1170 PolarHBondContact O-N 2.78Å; V1167-I1170 VanDerWaalsContact O-N 3.17Å; V1167-V1171 HydrophobicContact CG1-CG2 4.26Å; V1167-V1171 WeakPolarHBondContact O-CG2 3.36Å; V1167-V1171 PolarHBondContact O-N 3.21Å
1168C94.7Very high90.4Very high0 Ų056.4 Ų56.40%028%0.276CS..Hα-helixtrans-65.6-35.4-176.8-173.40000112.3L1164 V1171 L1172 Y1291 T1294 R1295 I1298L1164-C1168 VanDerWaalsContact O-CB 3.23Å; L1164-C1168 WeakPolarHBondContact O-CB 3.41Å; L1164-C1168 PolarHBondContact O-N 2.7Å; C1168-V1171 PolarHBondContact O-N 2.75Å; C1168-L1172 WeakPolarHBondContact O-CB 3.26Å; C1168-L1172 VanDerWaalsContact O-CG 3.23Å; C1168-L1172 WeakPolarHBondContact O-CG 3.47Å; C1168-L1172 PolarHBondContact O-N 3.12Å; C1168-Y1291 HydrophobicContact CB-CD2 4.16Å; C1168-Y1291 HydrophobicContact CB-CE2 3.64Å; C1168-T1294 HydrophobicContact CB-CG2 4.37Å; C1168-R1295 WeakPolarHBondContact SG-CA 3.12Å; C1168-R1295 WeakPolarHBondContact SG-CB 3.44Å; C1168-I1298 HydrophobicContact CB-CD1 3.62Å
1169S93.1Very high90.8Very high17 Ų1751.6 Ų51.612%0.11926%0.26CS..Hα-helixtrans-61-47.1172-680000111.9H1165 H1166 V1167 L1172 D1173 R1302H1165-S1169 VanDerWaalsContact O-CB 3.22Å; H1165-S1169 WeakPolarHBondContact O-CB 3.47Å; H1165-S1169 PolarHBondContact O-N 3.42Å; H1165-S1169 PolarHBondContact O-OG 2.89Å; H1166-S1169 PolarHBondContact O-N 3.39Å; V1167-S1169 VanDerWaalsContact C-N 3.34Å; V1167-S1169 PolarHBondContact O-N 3.32Å; S1169-L1172 PolarHBondContact O-N 2.72Å; S1169-D1173 WeakPolarHBondContact O-CB 3.42Å; S1169-D1173 PolarHBondContact O-N 2.72Å; S1169-R1302 PolarHBondContact O-NH2 3.34Å
1170I94.3Very high91.1Very high49 Ų4945.5 Ų45.525%0.25124%0.238SC..Hα-helixtrans-69.7-37.1-179.1-66.7169.2000111.2V1127 I1131 H1166 V1167 D1173 Q1174V1127-I1170 HydrophobicContact CG1-CB 3.76Å; V1127-I1170 HydrophobicContact CG1-CG2 3.56Å; V1127-I1170 HydrophobicContact CG2-CG2 4.21Å; I1131-I1170 HydrophobicContact CD1-CD1 4.18Å; H1166-I1170 WeakPolarHBondContact O-CB 3.35Å; H1166-I1170 VanDerWaalsContact O-CG1 3.31Å; H1166-I1170 WeakPolarHBondContact O-CG1 3.49Å; H1166-I1170 PolarHBondContact O-N 2.87Å; V1167-I1170 PolarHBondContact O-N 2.78Å; V1167-I1170 VanDerWaalsContact O-N 3.17Å; I1170-D1173 PolarHBondContact O-N 3.2Å; I1170-Q1174 HydrophobicContact CG2-CG 4.13Å; I1170-Q1174 WeakPolarHBondContact O-CB 3.42Å; I1170-Q1174 WeakPolarHBondContact O-CG 3.21Å; I1170-Q1174 PolarHBondContact O-N 2.78Å
1171V95.2Very high91.3Very high0 Ų039.2 Ų39.20%021%0.21CC..Hα-helixtrans-61.5-46.5172173.30000110.6I1124 V1127 V1167 C1168 D1173 F1175 S1178 Y1291I1124-V1171 HydrophobicContact CG1-CG2 4.12Å; V1127-V1171 HydrophobicContact CB-CG2 3.65Å; V1127-V1171 HydrophobicContact CG1-CG2 3.77Å; V1127-V1171 HydrophobicContact CG2-CG2 3.8Å; V1167-V1171 HydrophobicContact CG1-CG2 4.26Å; V1167-V1171 WeakPolarHBondContact O-CG2 3.36Å; V1167-V1171 PolarHBondContact O-N 3.21Å; C1168-V1171 PolarHBondContact O-N 2.75Å; V1171-D1173 VanDerWaalsContact C-N 3.27Å; V1171-D1173 PolarHBondContact O-N 3.27Å; V1171-F1175 HydrophobicContact CG1-CB 4.47Å; V1171-F1175 CarbonylContact O-C 3.51Å; V1171-F1175 VanDerWaalsContact O-C 3.28Å; V1171-F1175 VanDerWaalsContact O-CA 3.31Å; V1171-F1175 WeakPolarHBondContact O-CA 3.22Å; V1171-F1175 WeakPolarHBondContact O-CB 2.96Å; V1171-F1175 PolarHBondContact O-N 2.71Å; V1171-F1175 VanDerWaalsContact O-O 3.1Å; V1171-S1178 WeakPolarHBondContact CG1-OG 3.24Å; V1171-Y1291 WeakPolarHBondContact CG1-OH 3.31Å
1172L92Very high91.5Very high28 Ų2839.5 Ų39.515%0.14721%0.21CC..Hα-helixtrans-65.1-26.5175.6-72.4169.4000113.7C1168 S1169 R1295 I1298 I1299C1168-L1172 WeakPolarHBondContact O-CB 3.26Å; C1168-L1172 VanDerWaalsContact O-CG 3.23Å; C1168-L1172 WeakPolarHBondContact O-CG 3.47Å; C1168-L1172 PolarHBondContact O-N 3.12Å; S1169-L1172 PolarHBondContact O-N 2.72Å; L1172-R1295 HydrophobicContact CD1-CG 4.22Å; L1172-R1295 HydrophobicContact CD2-CG 4.21Å; L1172-I1298 HydrophobicContact CD1-CB 4.19Å; L1172-I1298 HydrophobicContact CD1-CG2 3.64Å; L1172-I1299 HydrophobicContact CD1-CG1 4.12Å; L1172-I1299 HydrophobicContact CD2-CD1 4.36Å
1173D90.3Very high91.3Very high100 Ų10042.3 Ų42.354%0.53523%0.23SC..Hα-helixtrans-87.8-29.8179.8-71.1-33.9000113.7S1169 I1170 V1171 R1302S1169-D1173 WeakPolarHBondContact O-CB 3.42Å; S1169-D1173 PolarHBondContact O-N 2.72Å; I1170-D1173 PolarHBondContact O-N 3.2Å; V1171-D1173 VanDerWaalsContact C-N 3.27Å; V1171-D1173 PolarHBondContact O-N 3.27Å; D1173-R1302 IonicContact OD1-CZ 2.73Å; D1173-R1302 VanDerWaalsContact OD1-CZ 3.24Å; D1173-R1302 IonicContact OD1-NH1 3.52Å; D1173-R1302 PolarHBondContact OD1-NH1 2.84Å; D1173-R1302 IonicContact OD1-NH2 2.69Å; D1173-R1302 PolarHBondContact OD1-NH2 3.37Å; D1173-R1302 IonicContact OD2-CZ 2.63Å; D1173-R1302 IonicContact OD2-NH2 3.63Å; D1173-R1302 PolarHBondContact OD2-NH2 3.01Å
1174Q90.8Very high91.1Very high113 Ų11344.7 Ų44.753%0.52824%0.241SC..Hα-helixtrans-105.2-29.8-176.7-64.7-175.8300113.7I1170 P1176I1170-Q1174 HydrophobicContact CG2-CG 4.13Å; I1170-Q1174 WeakPolarHBondContact O-CB 3.42Å; I1170-Q1174 WeakPolarHBondContact O-CG 3.21Å; I1170-Q1174 PolarHBondContact O-N 2.78Å; Q1174-P1176 WeakPolarHBondContact O-CD 3.45Å
1175F91.2Very high91Very high55 Ų5544.7 Ų44.724%0.24124%0.241CC..  trans-128.371-175.4-55.4-80.7000109.3Y1123 V1127 V1171 D1177 S1178Y1123-F1175 HydrophobicContact CD1-CB 4.46Å; Y1123-F1175 AromaticContact CD1-CD1 3.58Å; Y1123-F1175 HydrophobicContact CD1-CD1 3.58Å; Y1123-F1175 AromaticContact CD1-CE1 3.96Å; Y1123-F1175 HydrophobicContact CD1-CE1 3.96Å; Y1123-F1175 AromaticContact CD1-CG 3.98Å; Y1123-F1175 HydrophobicContact CD1-CG 3.98Å; Y1123-F1175 HydrophobicContact CD2-CB 3.68Å; Y1123-F1175 HydrophobicContact CD2-CD1 4.28Å; Y1123-F1175 HydrophobicContact CD2-CG 4.09Å; Y1123-F1175 AromaticContact CE1-CD1 3.76Å; Y1123-F1175 HydrophobicContact CE1-CD1 3.76Å; Y1123-F1175 HydrophobicContact CE1-CE1 4.21Å; Y1123-F1175 HydrophobicContact CE1-CG 4.48Å; Y1123-F1175 HydrophobicContact CE2-CB 4.09Å; Y1123-F1175 HydrophobicContact CE2-CD1 4.41Å; Y1123-F1175 HydrophobicContact CG-CB 3.88Å; Y1123-F1175 AromaticContact CG-CD1 3.86Å; Y1123-F1175 HydrophobicContact CG-CD1 3.86Å; Y1123-F1175 HydrophobicContact CG-CD2 4.39Å; Y1123-F1175 AromaticContact CG-CG 3.77Å; Y1123-F1175 HydrophobicContact CG-CG 3.77Å; V1127-F1175 HydrophobicContact CG2-CD2 3.96Å; V1127-F1175 HydrophobicContact CG2-CE2 3.56Å; V1171-F1175 HydrophobicContact CG1-CB 4.47Å; V1171-F1175 CarbonylContact O-C 3.51Å; V1171-F1175 VanDerWaalsContact O-C 3.28Å; V1171-F1175 VanDerWaalsContact O-CA 3.31Å; V1171-F1175 WeakPolarHBondContact O-CA 3.22Å; V1171-F1175 WeakPolarHBondContact O-CB 2.96Å; V1171-F1175 PolarHBondContact O-N 2.71Å; V1171-F1175 VanDerWaalsContact O-O 3.1Å; F1175-D1177 PolarHBondContact O-N 2.7Å; F1175-D1177 VanDerWaalsContact O-N 3.16Å; F1175-S1178 WeakPolarHBondContact O-CB 3.33Å; F1175-S1178 PolarHBondContact O-N 2.76Å; F1175-S1178 PolarHBondContact O-OG 3.46Å
1176P84.6Confident90.8Very high110 Ų11043 Ų4371%0.71424%0.236SC*.THydrogen-bonded Turntrans-67-12.3-177.428.6-36000113.5Q1174 S1178Q1174-P1176 WeakPolarHBondContact O-CD 3.45Å; P1176-S1178 PolarHBondContact O-N 2.93Å
1177D83.4Confident90.8Very high80 Ų8040 Ų4043%0.42822%0.222SC..THydrogen-bonded Turntrans-78.21.7168.169.7-45.7000113.3Y1123 F1175 T1179Y1123-D1177 WeakPolarHBondContact CE2-OD1 3.4Å; Y1123-D1177 VanDerWaalsContact CE2-OD2 3.3Å; Y1123-D1177 WeakPolarHBondContact CE2-OD2 3.32Å; Y1123-D1177 PolarHBondContact OH-OD2 3.45Å; F1175-D1177 PolarHBondContact O-N 2.7Å; F1175-D1177 VanDerWaalsContact O-N 3.16Å; D1177-T1179 PolarHBondContact O-N 2.79Å
1178S88.5Confident90.8Very high4 Ų440.1 Ų40.13%0.02822%0.222CC..  trans-69125.9174.460.60000112.7V1171 F1175 P1176 R1295V1171-S1178 WeakPolarHBondContact CG1-OG 3.24Å; F1175-S1178 WeakPolarHBondContact O-CB 3.33Å; F1175-S1178 PolarHBondContact O-N 2.76Å; F1175-S1178 PolarHBondContact O-OG 3.46Å; P1176-S1178 PolarHBondContact O-N 2.93Å; S1178-R1295 PolarHBondContact O-NH2 2.95Å
1179T87.2Confident90.7Very high51 Ų5140.8 Ų40.831%0.31323%0.227SC..  trans-90.6-168.2-175.355.90000111.9T1120 D1177 E1184 R1295T1120-T1179 PolarHBondContact OG1-N 3.05Å; T1120-T1179 PolarHBondContact OG1-OG1 2.76Å; D1177-T1179 PolarHBondContact O-N 2.79Å; T1179-E1184 WeakPolarHBondContact CB-OE1 3.15Å; T1179-E1184 WeakPolarHBondContact CG2-OE1 3.35Å; T1179-E1184 PolarHBondContact OG1-OE1 3.1Å; T1179-R1295 PolarHBondContact O-NE 3Å; T1179-R1295 VanDerWaalsContact O-NE 3.1Å
1180D87Confident90.7Very high25 Ų2544.7 Ų44.713%0.13424%0.239CC..  trans-83.7121.4162.7172.638.2000110.5H1182 S1183 E1184 R1292D1180-H1182 VanDerWaalsContact C-N 3.32Å; D1180-H1182 PolarHBondContact O-N 2.68Å; D1180-H1182 PolarHBondContact OD1-N 2.68Å; D1180-S1183 PolarHBondContact O-N 2.57Å; D1180-S1183 WeakPolarHBondContact OD2-CB 3.23Å; D1180-S1183 PolarHBondContact OD2-N 2.93Å; D1180-S1183 PolarHBondContact OD2-OG 3.03Å; D1180-E1184 PolarHBondContact O-N 2.85Å; D1180-E1184 VanDerWaalsContact O-N 3.16Å; D1180-R1292 WeakPolarHBondContact OD1-CB 3.3Å; D1180-R1292 VanDerWaalsContact OD1-CG 3.26Å; D1180-R1292 WeakPolarHBondContact OD1-CG 3.48Å
1181L90.5Very high90.8Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-66.1-33.2-179.6-17563.6000112.6C1118 T1120 L1121 I1124 S1183 E1184 L1185 F1287 A1288 Y1291C1118-L1181 WeakPolarHBondContact SG-CD1 3.47Å; T1120-L1181 HydrophobicContact CG2-CB 4.25Å; T1120-L1181 HydrophobicContact CG2-CD1 4.49Å; L1121-L1181 HydrophobicContact CB-CD1 3.94Å; L1121-L1181 HydrophobicContact CD1-CD2 4.36Å; I1124-L1181 HydrophobicContact CD1-CB 4.47Å; I1124-L1181 HydrophobicContact CD1-CD2 3.8Å; L1181-S1183 VanDerWaalsContact C-N 3.31Å; L1181-S1183 PolarHBondContact O-N 3.49Å; L1181-E1184 PolarHBondContact O-N 2.94Å; L1181-L1185 HydrophobicContact CD1-CD1 3.65Å; L1181-L1185 HydrophobicContact CD1-CG 4.01Å; L1181-L1185 HydrophobicContact CG-CD1 3.95Å; L1181-L1185 HydrophobicContact CG-CG 4.49Å; L1181-L1185 WeakPolarHBondContact O-CB 3.46Å; L1181-L1185 WeakPolarHBondContact O-CG 3.3Å; L1181-L1185 PolarHBondContact O-N 2.95Å; L1181-F1287 HydrophobicContact CD2-CD1 3.71Å; L1181-F1287 HydrophobicContact CD2-CE1 3.41Å; L1181-F1287 VanDerWaalsContact CD2-CE1 3.41Å; L1181-F1287 HydrophobicContact CD2-CZ 4.45Å; L1181-A1288 HydrophobicContact CB-CB 4.32Å; L1181-A1288 HydrophobicContact CD2-CB 4.07Å; L1181-A1288 HydrophobicContact CG-CB 3.89Å; L1181-Y1291 HydrophobicContact CB-CD1 3.77Å; L1181-Y1291 HydrophobicContact CB-CE1 4.32Å
1182H91.3Very high90.6Very high56 Ų5645.6 Ų45.626%0.25924%0.242SC..Hα-helixtrans-69.7-31.6178.7-173.3-55.9000111.6D1180 A1288 R1292D1180-H1182 VanDerWaalsContact C-N 3.32Å; D1180-H1182 PolarHBondContact O-N 2.68Å; D1180-H1182 PolarHBondContact OD1-N 2.68Å; H1182-A1288 HydrophobicContact CB-CB 4.13Å; H1182-R1292 HydrophobicContact CB-CB 4.24Å
1183S89.7Confident90.6Very high81 Ų8154.6 Ų54.657%0.56627%0.274SS*.Hα-helixtrans-79.1-26.7175.6-57.70000113.3D1180 L1181D1180-S1183 PolarHBondContact O-N 2.57Å; D1180-S1183 WeakPolarHBondContact OD2-CB 3.23Å; D1180-S1183 PolarHBondContact OD2-N 2.93Å; D1180-S1183 PolarHBondContact OD2-OG 3.03Å; L1181-S1183 VanDerWaalsContact C-N 3.31Å; L1181-S1183 PolarHBondContact O-N 3.49Å
1184E89.1Confident90.7Very high60 Ų6051.6 Ų51.628%0.2826%0.259SS..Hα-helixtrans-79.3-20.6173.9-80.2-167.1-174.600114.2C1118 T1179 D1180 L1181C1118-E1184 PolarHBondContact SG-OE2 3.4Å; T1179-E1184 WeakPolarHBondContact CB-OE1 3.15Å; T1179-E1184 WeakPolarHBondContact CG2-OE1 3.35Å; T1179-E1184 PolarHBondContact OG1-OE1 3.1Å; D1180-E1184 PolarHBondContact O-N 2.85Å; D1180-E1184 VanDerWaalsContact O-N 3.16Å; L1181-E1184 PolarHBondContact O-N 2.94Å
1185L93.3Very high90.7Very high0 Ų050.9 Ų50.90%026%0.259CS..  trans-112.640.4-175.3-62-175.4000112.3E1114 L1115 C1118 L1181 L1188 C1189E1114-L1185 HydrophobicContact CB-CD2 4.13Å; E1114-L1185 WeakPolarHBondContact OE2-CA 3.45Å; L1115-L1185 HydrophobicContact CB-CD2 4.49Å; L1115-L1185 HydrophobicContact CD1-CD2 4.38Å; C1118-L1185 HydrophobicContact CB-CD2 4.15Å; L1181-L1185 HydrophobicContact CD1-CD1 3.65Å; L1181-L1185 HydrophobicContact CD1-CG 4.01Å; L1181-L1185 HydrophobicContact CG-CD1 3.95Å; L1181-L1185 HydrophobicContact CG-CG 4.49Å; L1181-L1185 WeakPolarHBondContact O-CB 3.46Å; L1181-L1185 WeakPolarHBondContact O-CG 3.3Å; L1181-L1185 PolarHBondContact O-N 2.95Å; L1185-L1188 HydrophobicContact CB-CB 4.15Å; L1185-L1188 PolarHBondContact O-N 3.34Å; L1185-C1189 PolarHBondContact O-N 3.12Å; L1185-C1189 PolarHBondContact O-SG 3.27Å
1186G91.4Very high90.9Very high12 Ų1249.2 Ų49.212%0.12425%0.251CS..Hα-helixtrans-61.5-43.9-173.100000114.4E1114 C1189 R1190E1114-G1186 PolarHBondContact OE2-N 2.91Å; G1186-C1189 PolarHBondContact O-N 3.49Å; G1186-R1190 PolarHBondContact O-N 2.82Å; G1186-R1190 PolarHBondContact O-NH1 2.79Å
1187A93.8Very high91.2Very high0 Ų049.2 Ų49.20%025%0.245CC..Hα-helixtrans-70.4-35.4175.500000112.2Q1110 A1111 E1114 C1189 R1190 C1191Q1110-A1187 HydrophobicContact CB-CB 3.59Å; A1111-A1187 HydrophobicContact CB-CB 4.25Å; E1114-A1187 VanDerWaalsContact CD-N 3.35Å; E1114-A1187 VanDerWaalsContact OE1-CB 3.23Å; E1114-A1187 WeakPolarHBondContact OE1-CB 3.43Å; E1114-A1187 PolarHBondContact OE1-N 2.83Å; E1114-A1187 WeakPolarHBondContact OE2-CB 3.49Å; E1114-A1187 PolarHBondContact OE2-N 2.87Å; A1187-C1189 VanDerWaalsContact C-N 3.27Å; A1187-C1189 PolarHBondContact O-N 3.39Å; A1187-R1190 WeakPolarHBondContact O-CB 3.44Å; A1187-R1190 PolarHBondContact O-N 2.75Å; A1187-C1191 PolarHBondContact O-N 3.15Å; A1187-C1191 PolarHBondContact O-SG 3.02Å
1188L94.7Very high91.6Very high1 Ų148.4 Ų48.41%0.00524%0.239CC..Hα-helixtrans-61.4-38.2173.1-176.9147.6000111.6A1111 E1114 L1115 L1185 R1190 C1191 H1192 C1281 L1284 A1285A1111-L1188 HydrophobicContact CB-CB 3.87Å; E1114-L1188 PolarHBondContact OE2-N 2.9Å; L1115-L1188 HydrophobicContact CD1-CD1 4.43Å; L1115-L1188 HydrophobicContact CD2-CD1 4.38Å; L1185-L1188 HydrophobicContact CB-CB 4.15Å; L1185-L1188 PolarHBondContact O-N 3.34Å; L1188-R1190 VanDerWaalsContact C-N 3.26Å; L1188-R1190 PolarHBondContact O-N 2.63Å; L1188-C1191 WeakPolarHBondContact O-CB 3.29Å; L1188-C1191 PolarHBondContact O-N 3.19Å; L1188-H1192 PolarHBondContact O-N 2.72Å; L1188-H1192 VanDerWaalsContact O-N 3.07Å; L1188-C1281 HydrophobicContact CG-CB 4.3Å; L1188-L1284 HydrophobicContact CD1-CB 3.99Å; L1188-L1284 HydrophobicContact CD1-CD1 3.81Å; L1188-L1284 HydrophobicContact CD2-CB 3.66Å; L1188-L1284 HydrophobicContact CG-CB 4.48Å; L1188-A1285 HydrophobicContact CD2-CB 4.12Å
1189C93Very high91.9Very high14 Ų1448.4 Ų48.410%0.09524%0.239CC..Hα-helixtrans-67.6-22.4174.6-660000113.5L1185 G1186 A1187L1185-C1189 PolarHBondContact O-N 3.12Å; L1185-C1189 PolarHBondContact O-SG 3.27Å; G1186-C1189 PolarHBondContact O-N 3.49Å; A1187-C1189 VanDerWaalsContact C-N 3.27Å; A1187-C1189 PolarHBondContact O-N 3.39Å
1190R94.4Very high92.2Very high99 Ų9947.8 Ų47.837%0.37424%0.236SC..Hα-helixtrans-80.1-44.2168.5-64.8-170.8-62.3-861.9111.5D1107 G1186 A1187 L1188 H1192 R1193D1107-R1190 IonicContact OD1-CZ 2.64Å; D1107-R1190 VanDerWaalsContact OD1-CZ 3.27Å; D1107-R1190 IonicContact OD1-NE 2.82Å; D1107-R1190 PolarHBondContact OD1-NE 2.83Å; D1107-R1190 IonicContact OD1-NH2 2.67Å; D1107-R1190 PolarHBondContact OD1-NH2 3.45Å; D1107-R1190 WeakPolarHBondContact OD2-CB 3.46Å; D1107-R1190 WeakPolarHBondContact OD2-CD 3.44Å; D1107-R1190 IonicContact OD2-CZ 3.87Å; D1107-R1190 IonicContact OD2-NE 3.48Å; D1107-R1190 PolarHBondContact OD2-NE 3.49Å; G1186-R1190 PolarHBondContact O-N 2.82Å; G1186-R1190 PolarHBondContact O-NH1 2.79Å; A1187-R1190 WeakPolarHBondContact O-CB 3.44Å; A1187-R1190 PolarHBondContact O-N 2.75Å; L1188-R1190 VanDerWaalsContact C-N 3.26Å; L1188-R1190 PolarHBondContact O-N 2.63Å; R1190-H1192 PolarHBondContact O-N 3.18Å; R1190-R1193 WeakPolarHBondContact O-CB 2.91Å; R1190-R1193 PolarHBondContact O-N 3.16Å
1191C95.2Very high92.6Very high0 Ų051.6 Ų51.60%025%0.251CS..Hα-helixtrans-55.4-34.4176-65.10000113.5D1107 L1108 A1187 L1188 R1193 V1194 W1196 C1281D1107-C1191 PolarHBondContact O-SG 3.31Å; L1108-C1191 VanDerWaalsContact CA-SG 3.51Å; L1108-C1191 PolarHBondContact N-SG 2.85Å; L1108-C1191 VanDerWaalsContact N-SG 3.37Å; A1187-C1191 PolarHBondContact O-N 3.15Å; A1187-C1191 PolarHBondContact O-SG 3.02Å; L1188-C1191 WeakPolarHBondContact O-CB 3.29Å; L1188-C1191 PolarHBondContact O-N 3.19Å; C1191-R1193 PolarHBondContact O-N 3.29Å; C1191-V1194 PolarHBondContact O-N 3.33Å; C1191-W1196 HydrophobicContact CB-CZ2 4.28Å; C1191-W1196 PolarHBondContact O-NE1 2.74Å; C1191-C1281 HydrophobicContact CB-CB 4.08Å
1192H91.1Very high92.8Very high69 Ų6956.5 Ų56.532%0.31927%0.269SS..THydrogen-bonded Turntrans-56.1-34.1173.7166.421.4000112.9L1188 R1190 V1194 C1281 A1285L1188-H1192 PolarHBondContact O-N 2.72Å; L1188-H1192 VanDerWaalsContact O-N 3.07Å; R1190-H1192 PolarHBondContact O-N 3.18Å; H1192-V1194 VanDerWaalsContact C-N 3.33Å; H1192-V1194 PolarHBondContact O-N 2.98Å; H1192-C1281 HydrophobicContact CB-CB 4.22Å; H1192-A1285 HydrophobicContact CB-CB 3.98Å
1193R91.1Very high93Very high217 Ų21754.2 Ų54.282%0.81926%0.259SS*.THydrogen-bonded Turntrans-85.2-2.8-174.9-55.6-175.8-173.5-175.62.6114.2R1190 C1191R1190-R1193 WeakPolarHBondContact O-CB 2.91Å; R1190-R1193 PolarHBondContact O-N 3.16Å; C1191-R1193 PolarHBondContact O-N 3.29Å
1194V93Very high93.2Very high36 Ų3656.7 Ų56.722%0.21826%0.261CS..SBendtrans-91.6135.4-178.4175.30000109.9P1104 C1191 H1192 W1196P1104-V1194 HydrophobicContact CB-CG1 3.95Å; P1104-V1194 HydrophobicContact CB-CG2 4.03Å; P1104-V1194 HydrophobicContact CG-CG1 4.14Å; P1104-V1194 HydrophobicContact CG-CG2 4.07Å; C1191-V1194 PolarHBondContact O-N 3.33Å; H1192-V1194 VanDerWaalsContact C-N 3.33Å; H1192-V1194 PolarHBondContact O-N 2.98Å; V1194-W1196 HydrophobicContact CB-CZ2 4.24Å; V1194-W1196 HydrophobicContact CG1-CD2 4.21Å; V1194-W1196 HydrophobicContact CG1-CG 4.41Å; V1194-W1196 HydrophobicContact CG1-CZ2 4.17Å; V1194-W1196 PolarHBondContact O-N 3.28Å
1195D92.2Very high93.5Very high98 Ų9859.5 Ų59.552%0.52427%0.273SS..  trans-76.199.7164.9-172.9-22.3000109.9D1197 E1198 L1199D1195-D1197 VanDerWaalsContact C-N 3.31Å; D1195-D1197 WeakPolarHBondContact OD1-CA 3.41Å; D1195-D1197 PolarHBondContact OD1-N 2.8Å; D1195-E1198 HydrophobicContact CB-CB 4.03Å; D1195-E1198 VanDerWaalsContact CG-CB 3.46Å; D1195-E1198 PolarHBondContact OD1-N 3.42Å; D1195-L1199 PolarHBondContact O-N 3.29Å; D1195-L1199 VanDerWaalsContact O-N 3.1Å
1196W93.5Very high93.6Very high21 Ų2159.7 Ų59.78%0.0827%0.274CS..THydrogen-bonded Turntrans-77.2-14.2179.4-70.392.9000114P1104 L1108 C1191 V1194 L1199 P1200 V1277 G1278P1104-W1196 HydrophobicContact CB-CH2 4.13Å; P1104-W1196 HydrophobicContact CB-CZ2 4.43Å; P1104-W1196 WeakPolarHBondContact O-CH2 3.42Å; L1108-W1196 HydrophobicContact CB-CH2 3.63Å; L1108-W1196 HydrophobicContact CB-CZ2 4.13Å; L1108-W1196 HydrophobicContact CB-CZ3 4.49Å; L1108-W1196 HydrophobicContact CD2-CH2 3.62Å; L1108-W1196 HydrophobicContact CD2-CZ2 4.37Å; L1108-W1196 HydrophobicContact CD2-CZ3 3.68Å; L1108-W1196 HydrophobicContact CG-CH2 4.16Å; C1191-W1196 HydrophobicContact CB-CZ2 4.28Å; C1191-W1196 PolarHBondContact O-NE1 2.74Å; V1194-W1196 HydrophobicContact CB-CZ2 4.24Å; V1194-W1196 HydrophobicContact CG1-CD2 4.21Å; V1194-W1196 HydrophobicContact CG1-CG 4.41Å; V1194-W1196 HydrophobicContact CG1-CZ2 4.17Å; V1194-W1196 PolarHBondContact O-N 3.28Å; W1196-L1199 HydrophobicContact CD2-CD2 4.49Å; W1196-L1199 HydrophobicContact CE3-CD2 3.52Å; W1196-L1199 HydrophobicContact CH2-CD2 4.1Å; W1196-L1199 HydrophobicContact CZ3-CD2 3.29Å; W1196-P1200 WeakPolarHBondContact O-CD 3.39Å; W1196-V1277 HydrophobicContact CB-CB 4.41Å; W1196-V1277 HydrophobicContact CD2-CB 3.61Å; W1196-V1277 HydrophobicContact CD2-CG1 3.7Å; W1196-V1277 HydrophobicContact CD2-CG2 4.23Å; W1196-V1277 VanDerWaalsContact CE2-CG1 3.43Å; W1196-V1277 HydrophobicContact CE3-CB 4.05Å; W1196-V1277 HydrophobicContact CE3-CG1 4.21Å; W1196-V1277 HydrophobicContact CE3-CG2 4.15Å; W1196-V1277 HydrophobicContact CG-CB 3.73Å; W1196-V1277 HydrophobicContact CG-CG1 4.15Å; W1196-V1277 HydrophobicContact CH2-CG1 4.34Å; W1196-V1277 HydrophobicContact CZ2-CG1 3.8Å; W1196-G1278 VanDerWaalsContact CD1-CA 3.47Å; W1196-G1278 VanDerWaalsContact CD1-N 3.29Å
1197D91.7Very high93.8Very high109 Ų10961.1 Ų61.158%0.58328%0.277SS*.THydrogen-bonded Turntrans-89.4-21.3176-63.9-35.7000110.8D1195 K1201D1195-D1197 VanDerWaalsContact C-N 3.31Å; D1195-D1197 WeakPolarHBondContact OD1-CA 3.41Å; D1195-D1197 PolarHBondContact OD1-N 2.8Å; D1197-K1201 WeakPolarHBondContact O-CE 3.46Å; D1197-K1201 PolarHBondContact O-NZ 2.96Å
1198E92.3Very high93.9Very high63 Ų6364.1 Ų64.129%0.29430%0.296SS..THydrogen-bonded Turntrans-89.7-33171.8-173.356.2-153.500113.9D1195 K1201 R1202D1195-E1198 HydrophobicContact CB-CB 4.03Å; D1195-E1198 VanDerWaalsContact CG-CB 3.46Å; D1195-E1198 PolarHBondContact OD1-N 3.42Å; E1198-K1201 WeakPolarHBondContact O-CB 3.39Å; E1198-K1201 PolarHBondContact O-N 3.32Å; E1198-K1201 WeakPolarHBondContact OE2-CD 3.35Å; E1198-K1201 IonicContact OE2-NZ 2.72Å; E1198-K1201 PolarHBondContact OE2-NZ 2.8Å; E1198-R1202 HydrophobicContact CG-CG 4.13Å; E1198-R1202 WeakPolarHBondContact O-CG 3.06Å; E1198-R1202 PolarHBondContact O-N 3.11Å
1199L93.5Very high93.9Very high5 Ų566 Ų663%0.02631%0.306CS..Hα-helixtrans-46.8-47.9175.2-169.674.1000114.7I1101 P1104 L1105 D1195 W1196 L1203 Y1251I1101-L1199 HydrophobicContact CB-CD1 4.29Å; I1101-L1199 HydrophobicContact CG1-CD1 4.38Å; I1101-L1199 HydrophobicContact CG2-CD1 4.08Å; P1104-L1199 HydrophobicContact CB-CD1 4.21Å; P1104-L1199 HydrophobicContact CB-CD2 4.4Å; P1104-L1199 HydrophobicContact CG-CD1 4.24Å; L1105-L1199 HydrophobicContact CD2-CD2 4.42Å; D1195-L1199 PolarHBondContact O-N 3.29Å; D1195-L1199 VanDerWaalsContact O-N 3.1Å; W1196-L1199 HydrophobicContact CD2-CD2 4.49Å; W1196-L1199 HydrophobicContact CE3-CD2 3.52Å; W1196-L1199 HydrophobicContact CH2-CD2 4.1Å; W1196-L1199 HydrophobicContact CZ3-CD2 3.29Å; L1199-L1203 PolarHBondContact O-N 3.38Å; L1199-Y1251 HydrophobicContact CD2-CD2 4.4Å; L1199-Y1251 HydrophobicContact CD2-CE2 4.34Å
1200P94.5Very high93.9Very high38 Ų3865.4 Ų65.425%0.24730%0.302CS..Hα-helixtrans-67.3-35.2176.324.7-33.8000113.3W1196 R1202 L1203 E1204 Y1251W1196-P1200 WeakPolarHBondContact O-CD 3.39Å; P1200-R1202 VanDerWaalsContact C-N 3.34Å; P1200-R1202 PolarHBondContact O-N 2.57Å; P1200-L1203 PolarHBondContact O-N 2.85Å; P1200-E1204 PolarHBondContact O-N 2.98Å; P1200-Y1251 HydrophobicContact CB-CE2 4.31Å
1201K95.3Very high93.9Very high104 Ų10462.3 Ų62.345%0.45229%0.291SS..Hα-helixtrans-65.7-40.1178.9-47.4-165.2-153.377.50111D1197 E1198 L1203 E1204 K1205D1197-K1201 WeakPolarHBondContact O-CE 3.46Å; D1197-K1201 PolarHBondContact O-NZ 2.96Å; E1198-K1201 WeakPolarHBondContact O-CB 3.39Å; E1198-K1201 PolarHBondContact O-N 3.32Å; E1198-K1201 WeakPolarHBondContact OE2-CD 3.35Å; E1198-K1201 IonicContact OE2-NZ 2.72Å; E1198-K1201 PolarHBondContact OE2-NZ 2.8Å; K1201-L1203 VanDerWaalsContact C-N 3.32Å; K1201-L1203 PolarHBondContact O-N 3.11Å; K1201-E1204 PolarHBondContact O-N 3.02Å; K1201-K1205 WeakPolarHBondContact O-CB 3.22Å; K1201-K1205 PolarHBondContact O-N 3.41Å
1202R93.7Very high93.9Very high104 Ų10467.1 Ų67.139%0.39231%0.309SS..Hα-helixtrans-60.1-40.5172.7-68.5169.3169.4-133.6-7.4111.9E1100 I1101 E1198 P1200 L1206E1100-R1202 IonicContact OE2-CZ 2.85Å; E1100-R1202 IonicContact OE2-NH1 2.65Å; E1100-R1202 PolarHBondContact OE2-NH1 2.71Å; E1100-R1202 IonicContact OE2-NH2 3.64Å; I1101-R1202 HydrophobicContact CD1-CB 4.16Å; I1101-R1202 HydrophobicContact CG1-CB 4.22Å; E1198-R1202 HydrophobicContact CG-CG 4.13Å; E1198-R1202 WeakPolarHBondContact O-CG 3.06Å; E1198-R1202 PolarHBondContact O-N 3.11Å; P1200-R1202 VanDerWaalsContact C-N 3.34Å; P1200-R1202 PolarHBondContact O-N 2.57Å; R1202-L1206 VanDerWaalsContact O-CB 3.32Å; R1202-L1206 WeakPolarHBondContact O-CB 3.5Å; R1202-L1206 PolarHBondContact O-N 2.17Å
1203L95.9Very high94Very high8 Ų863.9 Ų63.94%0.04230%0.295CS..Hα-helixtrans-72.6-36.7178.5-17755.3000113.2I1101 L1199 P1200 K1201 L1206 E1207 V1244 L1247 Q1248 Y1251I1101-L1203 HydrophobicContact CD1-CB 4.12Å; I1101-L1203 HydrophobicContact CD1-CD1 4.29Å; I1101-L1203 HydrophobicContact CG2-CB 4.5Å; I1101-L1203 HydrophobicContact CG2-CD1 4.48Å; L1199-L1203 PolarHBondContact O-N 3.38Å; P1200-L1203 PolarHBondContact O-N 2.85Å; K1201-L1203 VanDerWaalsContact C-N 3.32Å; K1201-L1203 PolarHBondContact O-N 3.11Å; L1203-L1206 PolarHBondContact O-N 3.47Å; L1203-E1207 PolarHBondContact O-N 3.24Å; L1203-V1244 HydrophobicContact CD1-CG1 4.45Å; L1203-L1247 HydrophobicContact CD1-CB 3.77Å; L1203-L1247 HydrophobicContact CD1-CD1 4.46Å; L1203-Q1248 HydrophobicContact CD1-CG 4.04Å; L1203-Q1248 HydrophobicContact CD2-CG 4.16Å; L1203-Q1248 HydrophobicContact CG-CG 4.06Å; L1203-Y1251 HydrophobicContact CD2-CD1 4.48Å; L1203-Y1251 HydrophobicContact CD2-CD2 4.34Å; L1203-Y1251 HydrophobicContact CD2-CG 3.92Å
1204E95.5Very high94Very high132 Ų13254.8 Ų54.862%0.61726%0.26SS*.Hα-helixtrans-68-41.4172.3-177.8173.7-163.700111.8P1200 K1201 L1206 E1207 T1208P1200-E1204 PolarHBondContact O-N 2.98Å; K1201-E1204 PolarHBondContact O-N 3.02Å; E1204-L1206 VanDerWaalsContact C-N 3.34Å; E1204-L1206 PolarHBondContact O-N 3.26Å; E1204-E1207 PolarHBondContact O-N 2.7Å; E1204-T1208 WeakPolarHBondContact O-CB 3.46Å; E1204-T1208 PolarHBondContact O-N 3.3Å; E1204-T1208 PolarHBondContact O-OG1 3.09Å
1205K94.7Very high93.9Very high119 Ų11958 Ų5852%0.51727%0.273SS..Hα-helixtrans-58.7-45.3169.8-178.2-175.3173.4-168.30110.9K1201 E1207 T1208 D1209K1201-K1205 WeakPolarHBondContact O-CB 3.22Å; K1201-K1205 PolarHBondContact O-N 3.41Å; K1205-E1207 PolarHBondContact O-N 3.3Å; K1205-T1208 WeakPolarHBondContact O-CB 3.46Å; K1205-T1208 PolarHBondContact O-N 3.32Å; K1205-T1208 VanDerWaalsContact O-N 3.1Å; K1205-D1209 WeakPolarHBondContact CE-OD2 3.27Å; K1205-D1209 VanDerWaalsContact CG-OD2 3.31Å; K1205-D1209 WeakPolarHBondContact CG-OD2 3.32Å; K1205-D1209 WeakPolarHBondContact O-CB 3.49Å; K1205-D1209 PolarHBondContact O-N 3.09Å
1206L95.3Very high93.9Very high4 Ų454.2 Ų54.22%0.02125%0.252CS..Hα-helixtrans-67.8-32.6-179-165.264.5000113F1090 Y1094 N1097 I1101 R1202 L1203 E1204 S1210 V1244 L1247F1090-L1206 HydrophobicContact CE2-CD1 4.16Å; Y1094-L1206 HydrophobicContact CD2-CD1 4.03Å; Y1094-L1206 HydrophobicContact CE2-CD1 4.25Å; Y1094-L1206 HydrophobicContact CE2-CD2 4.4Å; Y1094-L1206 HydrophobicContact CE2-CG 4.48Å; N1097-L1206 HydrophobicContact CB-CD1 3.9Å; N1097-L1206 HydrophobicContact CB-CD2 4.46Å; I1101-L1206 HydrophobicContact CD1-CB 4.47Å; I1101-L1206 HydrophobicContact CD1-CD2 3.88Å; R1202-L1206 VanDerWaalsContact O-CB 3.32Å; R1202-L1206 WeakPolarHBondContact O-CB 3.5Å; R1202-L1206 PolarHBondContact O-N 2.17Å; L1203-L1206 PolarHBondContact O-N 3.47Å; E1204-L1206 VanDerWaalsContact C-N 3.34Å; E1204-L1206 PolarHBondContact O-N 3.26Å; L1206-S1210 WeakPolarHBondContact O-CB 3.44Å; L1206-S1210 PolarHBondContact O-N 2.99Å; L1206-S1210 VanDerWaalsContact O-N 3.09Å; L1206-V1244 HydrophobicContact CD2-CG2 3.86Å; L1206-V1244 HydrophobicContact CG-CG2 3.73Å; L1206-L1247 HydrophobicContact CD2-CD1 4.29Å
1207E95.6Very high93.8Very high42 Ų4254.2 Ų54.220%0.19625%0.252CS..Hα-helixtrans-61.8-51.1164.9167171.5-170.700111W780 L1203 E1204 K1205 D1209 S1210 K1211 V1244 Q1248W780-E1207 HydrophobicContact CH2-CB 4.06Å; W780-E1207 HydrophobicContact CH2-CG 3.66Å; W780-E1207 HydrophobicContact CZ2-CB 4.4Å; W780-E1207 HydrophobicContact CZ2-CG 3.71Å; W780-E1207 WeakPolarHBondContact CZ2-OE1 3.49Å; W780-E1207 HydrophobicContact CZ3-CG 4.45Å; L1203-E1207 PolarHBondContact O-N 3.24Å; E1204-E1207 PolarHBondContact O-N 2.7Å; K1205-E1207 PolarHBondContact O-N 3.3Å; E1207-D1209 PolarHBondContact O-N 2.92Å; E1207-S1210 PolarHBondContact O-N 3.21Å; E1207-K1211 HydrophobicContact CG-CD 4.01Å; E1207-K1211 HydrophobicContact CG-CG 4.43Å; E1207-K1211 PolarHBondContact O-N 3.18Å; E1207-K1211 WeakPolarHBondContact OE1-CE 3.13Å; E1207-K1211 IonicContact OE1-NZ 2.8Å; E1207-K1211 PolarHBondContact OE1-NZ 3.27Å; E1207-V1244 HydrophobicContact CB-CG1 4.21Å; E1207-Q1248 PolarHBondContact OE2-NE2 3.23Å
1208T95.4Very high93.5Very high64 Ų6452.7 Ų52.739%0.39324%0.238SC..Hα-helixtrans-60.8-47.8-174.7-58.10000111.7E1204 K1205 K1211 R1212E1204-T1208 WeakPolarHBondContact O-CB 3.46Å; E1204-T1208 PolarHBondContact O-N 3.3Å; E1204-T1208 PolarHBondContact O-OG1 3.09Å; K1205-T1208 WeakPolarHBondContact O-CB 3.46Å; K1205-T1208 PolarHBondContact O-N 3.32Å; K1205-T1208 VanDerWaalsContact O-N 3.1Å; T1208-K1211 PolarHBondContact O-N 3.31Å; T1208-R1212 VanDerWaalsContact O-CB 3.26Å; T1208-R1212 WeakPolarHBondContact O-CB 3.31Å; T1208-R1212 PolarHBondContact O-N 2.96Å
1209D94.1Very high93.3Very high41 Ų4153.6 Ų53.622%0.21925%0.245CC..Hα-helixtrans-71.3-31.3179.4-69.3-24.2000111.6F1090 K1205 E1207 R1212 A1213F1090-D1209 HydrophobicContact CD2-CB 3.86Å; F1090-D1209 HydrophobicContact CE2-CB 4.23Å; K1205-D1209 WeakPolarHBondContact CE-OD2 3.27Å; K1205-D1209 VanDerWaalsContact CG-OD2 3.31Å; K1205-D1209 WeakPolarHBondContact CG-OD2 3.32Å; K1205-D1209 WeakPolarHBondContact O-CB 3.49Å; K1205-D1209 PolarHBondContact O-N 3.09Å; E1207-D1209 PolarHBondContact O-N 2.92Å; D1209-R1212 IonicContact OD1-NH1 3.14Å; D1209-R1212 PolarHBondContact OD1-NH1 3.13Å; D1209-R1212 VanDerWaalsContact OD1-NH1 3.15Å; D1209-A1213 WeakPolarHBondContact O-CB 3.35Å; D1209-A1213 PolarHBondContact O-N 3.07Å
1210S94.8Very high92.9Very high1 Ų154 Ų541%0.00725%0.247CC..Hα-helixtrans-68-44.1172.5-176.40000112.3L1206 E1207 A1213 W1214 M1241L1206-S1210 WeakPolarHBondContact O-CB 3.44Å; L1206-S1210 PolarHBondContact O-N 2.99Å; L1206-S1210 VanDerWaalsContact O-N 3.09Å; E1207-S1210 PolarHBondContact O-N 3.21Å; S1210-A1213 PolarHBondContact O-N 2.86Å; S1210-W1214 PolarHBondContact O-N 3.47Å; S1210-W1214 VanDerWaalsContact O-N 3.15Å; S1210-M1241 WeakPolarHBondContact O-CE 3.5Å; S1210-M1241 VanDerWaalsContact OG-CG 3.26Å; S1210-M1241 WeakPolarHBondContact OG-CG 3.22Å
1211K94.4Very high92.4Very high33 Ų3352.9 Ų52.914%0.14324%0.238CC..Hα-helixtrans-60.9-48.5173-75.5-177.3171.5-177.20111.3V776 E777 W780 E1207 T1208 A1213 W1214 E1215 M1241V776-K1211 HydrophobicContact CG1-CB 4.22Å; V776-K1211 HydrophobicContact CG1-CG 4.29Å; E777-K1211 IonicContact OE1-NZ 3.19Å; E777-K1211 IonicContact OE2-NZ 3.76Å; E777-K1211 PolarHBondContact OE2-NZ 3.16Å; W780-K1211 HydrophobicContact CD2-CD 4.46Å; W780-K1211 HydrophobicContact CD2-CG 4.47Å; W780-K1211 HydrophobicContact CE3-CG 4.04Å; W780-K1211 HydrophobicContact CZ3-CG 4.27Å; E1207-K1211 HydrophobicContact CG-CD 4.01Å; E1207-K1211 HydrophobicContact CG-CG 4.43Å; E1207-K1211 PolarHBondContact O-N 3.18Å; E1207-K1211 WeakPolarHBondContact OE1-CE 3.13Å; E1207-K1211 IonicContact OE1-NZ 2.8Å; E1207-K1211 PolarHBondContact OE1-NZ 3.27Å; T1208-K1211 PolarHBondContact O-N 3.31Å; K1211-A1213 PolarHBondContact O-N 2.83Å; K1211-W1214 PolarHBondContact O-N 2.68Å; K1211-E1215 PolarHBondContact O-N 2.82Å; K1211-M1241 HydrophobicContact CG-CE 4.21Å
1212R93.8Very high91.3Very high101 Ų10152.8 Ų52.838%0.38125%0.251SS..Hα-helixtrans-60.1-40.8175.8177.5-179.8-70.3141.4-6.6112.4T1208 D1209 W1214 E1215 H1216T1208-R1212 VanDerWaalsContact O-CB 3.26Å; T1208-R1212 WeakPolarHBondContact O-CB 3.31Å; T1208-R1212 PolarHBondContact O-N 2.96Å; D1209-R1212 IonicContact OD1-NH1 3.14Å; D1209-R1212 PolarHBondContact OD1-NH1 3.13Å; D1209-R1212 VanDerWaalsContact OD1-NH1 3.15Å; R1212-W1214 VanDerWaalsContact C-N 3.31Å; R1212-W1214 PolarHBondContact O-N 3.45Å; R1212-E1215 WeakPolarHBondContact O-CB 3.21Å; R1212-E1215 PolarHBondContact O-N 3.12Å; R1212-H1216 WeakPolarHBondContact CG-NE2 3.34Å; R1212-H1216 PolarHBondContact O-N 2.74Å
1213A93.9Very high89.9Confident2 Ų250.3 Ų50.32%0.01725%0.249CC..Hα-helixtrans-63.1-36.1176.300000112.2L1087 F1090 D1209 S1210 K1211 H1216 Y1217 L1237L1087-A1213 HydrophobicContact CD1-CB 3.95Å; F1090-A1213 HydrophobicContact CB-CB 4.17Å; F1090-A1213 HydrophobicContact CD1-CB 3.51Å; F1090-A1213 HydrophobicContact CD2-CB 4.42Å; F1090-A1213 HydrophobicContact CE1-CB 4Å; F1090-A1213 HydrophobicContact CG-CB 3.76Å; D1209-A1213 WeakPolarHBondContact O-CB 3.35Å; D1209-A1213 PolarHBondContact O-N 3.07Å; S1210-A1213 PolarHBondContact O-N 2.86Å; K1211-A1213 PolarHBondContact O-N 2.83Å; A1213-H1216 PolarHBondContact O-N 2.83Å; A1213-Y1217 WeakPolarHBondContact O-CB 3.41Å; A1213-Y1217 PolarHBondContact O-N 3.42Å; A1213-L1237 HydrophobicContact CB-CD2 3.78Å
1214W91.5Very high88Confident26 Ų2657.3 Ų57.310%0.09828%0.281CS..Hα-helixtrans-69.9-38172.9-169.5-109.3000112.7F779 S1210 K1211 R1212 Y1217 R1218 L1237 M1241F779-W1214 AromaticContact CD1-CD1 3.99Å; F779-W1214 AromaticContact CD1-CD2 4Å; F779-W1214 HydrophobicContact CD1-CD2 4Å; F779-W1214 AromaticContact CD1-CE2 3.46Å; F779-W1214 VanDerWaalsContact CD1-CE2 3.46Å; F779-W1214 HydrophobicContact CD1-CG 4.31Å; F779-W1214 HydrophobicContact CD1-CH2 4.45Å; F779-W1214 AromaticContact CD1-CZ2 3.74Å; F779-W1214 HydrophobicContact CD1-CZ2 3.74Å; F779-W1214 AromaticContact CD1-NE1 3.46Å; F779-W1214 AromaticContact CD2-CZ2 3.86Å; F779-W1214 HydrophobicContact CD2-CZ2 3.86Å; F779-W1214 AromaticContact CE1-CD2 3.88Å; F779-W1214 HydrophobicContact CE1-CD2 3.88Å; F779-W1214 AromaticContact CE1-CE2 3.53Å; F779-W1214 HydrophobicContact CE1-CE3 4.12Å; F779-W1214 AromaticContact CE1-CH2 3.74Å; F779-W1214 HydrophobicContact CE1-CH2 3.74Å; F779-W1214 AromaticContact CE1-CZ2 3.48Å; F779-W1214 HydrophobicContact CE1-CZ2 3.48Å; F779-W1214 VanDerWaalsContact CE1-CZ2 3.48Å; F779-W1214 HydrophobicContact CE1-CZ3 4.06Å; F779-W1214 AromaticContact CE2-CH2 3.98Å; F779-W1214 HydrophobicContact CE2-CH2 3.98Å; F779-W1214 AromaticContact CE2-CZ2 3.62Å; F779-W1214 HydrophobicContact CE2-CZ2 3.62Å; F779-W1214 AromaticContact CG-CE2 3.86Å; F779-W1214 AromaticContact CG-CZ2 3.92Å; F779-W1214 HydrophobicContact CG-CZ2 3.92Å; F779-W1214 AromaticContact CG-NE1 3.66Å; F779-W1214 AromaticContact CZ-CE2 4Å; F779-W1214 AromaticContact CZ-CH2 3.47Å; F779-W1214 HydrophobicContact CZ-CH2 3.47Å; F779-W1214 VanDerWaalsContact CZ-CH2 3.47Å; F779-W1214 AromaticContact CZ-CZ2 3.42Å; F779-W1214 HydrophobicContact CZ-CZ2 3.42Å; F779-W1214 VanDerWaalsContact CZ-CZ2 3.42Å; F779-W1214 HydrophobicContact CZ-CZ3 4.11Å; S1210-W1214 PolarHBondContact O-N 3.47Å; S1210-W1214 VanDerWaalsContact O-N 3.15Å; K1211-W1214 PolarHBondContact O-N 2.68Å; R1212-W1214 VanDerWaalsContact C-N 3.31Å; R1212-W1214 PolarHBondContact O-N 3.45Å; W1214-Y1217 HydrophobicContact CE3-CD1 4.36Å; W1214-Y1217 HydrophobicContact CZ3-CD1 4.35Å; W1214-Y1217 PolarHBondContact O-N 2.86Å; W1214-R1218 WeakPolarHBondContact O-CB 3.33Å; W1214-R1218 WeakPolarHBondContact O-CG 3.23Å; W1214-R1218 PolarHBondContact O-N 2.68Å; W1214-L1237 HydrophobicContact CE3-CB 3.66Å; W1214-L1237 HydrophobicContact CE3-CD1 3.95Å; W1214-L1237 HydrophobicContact CE3-CG 4.46Å; W1214-L1237 HydrophobicContact CZ3-CB 3.9Å; W1214-L1237 HydrophobicContact CZ3-CD1 4.45Å; W1214-M1241 HydrophobicContact CB-CE 3.51Å; W1214-M1241 HydrophobicContact CG-CE 4.01Å
1215E91.2Very high86.1Confident103 Ų10359 Ų5948%0.48129%0.287SS..Hα-helixtrans-59.3-47.8170.3-71176.5167.800111.6V776 K1211 R1212 R1218 L1219V776-E1215 HydrophobicContact CB-CG 4.37Å; V776-E1215 HydrophobicContact CG2-CG 3.43Å; V776-E1215 VanDerWaalsContact CG2-CG 3.43Å; K1211-E1215 PolarHBondContact O-N 2.82Å; R1212-E1215 WeakPolarHBondContact O-CB 3.21Å; R1212-E1215 PolarHBondContact O-N 3.12Å; E1215-R1218 PolarHBondContact O-N 2.95Å; E1215-L1219 WeakPolarHBondContact O-CB 3.4Å; E1215-L1219 PolarHBondContact O-N 3.18Å
1216H91.6Very high84.5Confident19 Ų1957.6 Ų57.69%0.08828%0.282CS..Hα-helixtrans-63-45.5176.8-65.5-15.6000112.4P1083 E1086 L1087 R1212 A1213 R1218 L1219 I1220P1083-H1216 HydrophobicContact CB-CB 3.93Å; P1083-H1216 WeakPolarHBondContact O-CB 3.26Å; P1083-H1216 PolarHBondContact O-CD2 3.1Å; P1083-H1216 VanDerWaalsContact O-CD2 3.31Å; E1086-H1216 WeakPolarHBondContact CB-NE2 3.41Å; E1086-H1216 IonicContact OE2-CE1 2.61Å; E1086-H1216 IonicContact OE2-NE2 3.01Å; E1086-H1216 PolarHBondContact OE2-NE2 3.45Å; E1086-H1216 VanDerWaalsContact OE2-NE2 3.14Å; L1087-H1216 HydrophobicContact CB-CB 4.04Å; R1212-H1216 WeakPolarHBondContact CG-NE2 3.34Å; R1212-H1216 PolarHBondContact O-N 2.74Å; A1213-H1216 PolarHBondContact O-N 2.83Å; H1216-R1218 VanDerWaalsContact C-N 3.3Å; H1216-R1218 PolarHBondContact O-N 2.78Å; H1216-L1219 PolarHBondContact O-N 3.01Å; H1216-I1220 HydrophobicContact CB-CD1 4.31Å; H1216-I1220 WeakPolarHBondContact O-CB 3.33Å; H1216-I1220 VanDerWaalsContact O-CD1 3.27Å; H1216-I1220 WeakPolarHBondContact O-CD1 3.46Å; H1216-I1220 WeakPolarHBondContact O-CG1 3.12Å; H1216-I1220 PolarHBondContact O-N 3.3Å
1217Y90.5Very high82.8Confident21 Ų2158.9 Ų58.98%0.08229%0.291CS..Hα-helixtrans-55.7-46.7175.5172.5-94.8000111.1A1213 W1214 F1221 N1230 L1233 L1237A1213-Y1217 WeakPolarHBondContact O-CB 3.41Å; A1213-Y1217 PolarHBondContact O-N 3.42Å; W1214-Y1217 HydrophobicContact CE3-CD1 4.36Å; W1214-Y1217 HydrophobicContact CZ3-CD1 4.35Å; W1214-Y1217 PolarHBondContact O-N 2.86Å; Y1217-F1221 AromaticContact CD2-CD2 3.42Å; Y1217-F1221 HydrophobicContact CD2-CD2 3.42Å; Y1217-F1221 VanDerWaalsContact CD2-CD2 3.42Å; Y1217-F1221 AromaticContact CD2-CE2 3.91Å; Y1217-F1221 HydrophobicContact CD2-CE2 3.91Å; Y1217-F1221 HydrophobicContact CD2-CG 4.43Å; Y1217-F1221 HydrophobicContact CE2-CB 4.33Å; Y1217-F1221 AromaticContact CE2-CD2 3.52Å; Y1217-F1221 HydrophobicContact CE2-CD2 3.52Å; Y1217-F1221 HydrophobicContact CE2-CE2 4.15Å; Y1217-F1221 HydrophobicContact CE2-CG 4.18Å; Y1217-F1221 HydrophobicContact CG-CD2 4.18Å; Y1217-F1221 WeakPolarHBondContact O-CB 3.48Å; Y1217-F1221 WeakPolarHBondContact O-CD2 3.47Å; Y1217-F1221 PolarHBondContact O-N 3.23Å; Y1217-N1230 HydrophobicContact CE2-CB 4.35Å; Y1217-L1233 HydrophobicContact CD2-CD2 4.02Å; Y1217-L1233 HydrophobicContact CD2-CG 4.07Å; Y1217-L1233 HydrophobicContact CE2-CB 4.39Å; Y1217-L1233 HydrophobicContact CE2-CD2 4.42Å; Y1217-L1233 HydrophobicContact CE2-CG 4.39Å; Y1217-L1237 VanDerWaalsContact CB-CD1 3.46Å; Y1217-L1237 HydrophobicContact CD1-CD1 4.46Å; Y1217-L1237 HydrophobicContact CD2-CD1 4Å; Y1217-L1237 HydrophobicContact CG-CD1 3.71Å
1218R86.9Confident81Confident77 Ų7762 Ų6229%0.29131%0.309SS..Hα-helixtrans-66.4-39.8177.7-71.4-17860.1-137.9-10.1112.8T774 W1214 E1215 H1216 S1222T774-R1218 VanDerWaalsContact C-NH1 3.33Å; T774-R1218 VanDerWaalsContact O-CZ 3.23Å; T774-R1218 PolarHBondContact O-NH1 3.48Å; T774-R1218 PolarHBondContact O-NH2 3.31Å; W1214-R1218 WeakPolarHBondContact O-CB 3.33Å; W1214-R1218 WeakPolarHBondContact O-CG 3.23Å; W1214-R1218 PolarHBondContact O-N 2.68Å; E1215-R1218 PolarHBondContact O-N 2.95Å; H1216-R1218 VanDerWaalsContact C-N 3.3Å; H1216-R1218 PolarHBondContact O-N 2.78Å; R1218-S1222 PolarHBondContact O-N 3.36Å; R1218-S1222 VanDerWaalsContact O-N 3.14Å; R1218-S1222 PolarHBondContact O-OG 3.01Å
1219L87Confident79.4Confident82 Ų8266.8 Ų66.843%0.42933%0.325SS..Hα-helixtrans-63.7-45.2177.1-17962.6000111.9P1083 E1215 H1216P1083-L1219 HydrophobicContact CB-CD2 4.23Å; P1083-L1219 HydrophobicContact CG-CD2 3.75Å; E1215-L1219 WeakPolarHBondContact O-CB 3.4Å; E1215-L1219 PolarHBondContact O-N 3.18Å; H1216-L1219 PolarHBondContact O-N 3.01Å
1220I85.2Confident78.4Confident13 Ų1367 Ų677%0.06733%0.326CS..Hα-helixtrans-74.6-37.9-177.6-60.6157.2000111.6H1080 P1083 R1084 L1087 H1216H1080-I1220 HydrophobicContact CB-CG1 3.93Å; P1083-I1220 HydrophobicContact CB-CD1 4.12Å; P1083-I1220 HydrophobicContact CB-CG1 4.23Å; R1084-I1220 HydrophobicContact CB-CD1 3.88Å; L1087-I1220 HydrophobicContact CD2-CD1 3.76Å; H1216-I1220 HydrophobicContact CB-CD1 4.31Å; H1216-I1220 WeakPolarHBondContact O-CB 3.33Å; H1216-I1220 VanDerWaalsContact O-CD1 3.27Å; H1216-I1220 WeakPolarHBondContact O-CD1 3.46Å; H1216-I1220 WeakPolarHBondContact O-CG1 3.12Å; H1216-I1220 PolarHBondContact O-N 3.3Å
1221F84.3Confident77.8Confident15 Ų1570.8 Ų70.87%0.06635%0.345CS..THydrogen-bonded Turntrans-113.933.3-171.6-55-69.1000113.3L1087 Y1217 S1223 E1226 N1230 L1233L1087-F1221 HydrophobicContact CD2-CE2 4.31Å; Y1217-F1221 AromaticContact CD2-CD2 3.42Å; Y1217-F1221 HydrophobicContact CD2-CD2 3.42Å; Y1217-F1221 VanDerWaalsContact CD2-CD2 3.42Å; Y1217-F1221 AromaticContact CD2-CE2 3.91Å; Y1217-F1221 HydrophobicContact CD2-CE2 3.91Å; Y1217-F1221 HydrophobicContact CD2-CG 4.43Å; Y1217-F1221 HydrophobicContact CE2-CB 4.33Å; Y1217-F1221 AromaticContact CE2-CD2 3.52Å; Y1217-F1221 HydrophobicContact CE2-CD2 3.52Å; Y1217-F1221 HydrophobicContact CE2-CE2 4.15Å; Y1217-F1221 HydrophobicContact CE2-CG 4.18Å; Y1217-F1221 HydrophobicContact CG-CD2 4.18Å; Y1217-F1221 WeakPolarHBondContact O-CB 3.48Å; Y1217-F1221 WeakPolarHBondContact O-CD2 3.47Å; Y1217-F1221 PolarHBondContact O-N 3.23Å; F1221-S1223 PolarHBondContact O-N 2.73Å; F1221-S1223 VanDerWaalsContact O-N 3.13Å; F1221-E1226 HydrophobicContact CD1-CB 4.2Å; F1221-N1230 HydrophobicContact CE1-CB 4.38Å; F1221-N1230 WeakPolarHBondContact CE1-ND2 3.36Å; F1221-N1230 HydrophobicContact CZ-CB 4.4Å; F1221-L1233 HydrophobicContact CE2-CD2 3.95Å
1222S72.3Confident77.3Confident102 Ų10277.7 Ų77.771%0.71338%0.375SS*.  trans-60.9-15.9174.8-81.10000114.2R1218R1218-S1222 PolarHBondContact O-N 3.36Å; R1218-S1222 VanDerWaalsContact O-N 3.14Å; R1218-S1222 PolarHBondContact O-OG 3.01Å
1223S64.9Low77Confident52 Ų5273.7 Ų73.736%0.36436%0.361SS..SBendtrans-85125.4176.3-177.30000111.9F1221 K1225 E1226 S1227F1221-S1223 PolarHBondContact O-N 2.73Å; F1221-S1223 VanDerWaalsContact O-N 3.13Å; S1223-K1225 PolarHBondContact O-N 3.37Å; S1223-E1226 WeakPolarHBondContact CB-OE2 3.23Å; S1223-E1226 PolarHBondContact O-N 3.48Å; S1223-S1227 PolarHBondContact O-N 3.43Å; S1223-S1227 PolarHBondContact O-OG 2.86Å
1224E55.6Low76.8Confident154 Ų15474.8 Ų74.872%0.7237%0.369SS*.Hα-helixtrans-56.4-22.7177.4-168.9179.4-134.800113.5S1227 N1228E1224-S1227 PolarHBondContact O-OG 3.48Å; E1224-N1228 PolarHBondContact O-ND2 2.79Å
1225K56.1Low76.7Confident169 Ų16979.1 Ų79.174%0.73539%0.39SS*.Hα-helixtrans-85-6.8176.5-66.8-178.9-179.8175.50114.2S1223 K1229S1223-K1225 PolarHBondContact O-N 3.37Å; K1225-K1229 WeakPolarHBondContact O-CE 3.36Å
1226E59.4Low76.8Confident89 Ų8976.3 Ų76.342%0.41638%0.376SS..Hα-helixtrans-117.6-33.4-175.9-60.5-173.9117.800112.1F1221 S1223 N1228 K1229 N1230F1221-E1226 HydrophobicContact CD1-CB 4.2Å; S1223-E1226 WeakPolarHBondContact CB-OE2 3.23Å; S1223-E1226 PolarHBondContact O-N 3.48Å; E1226-N1228 VanDerWaalsContact C-N 3.32Å; E1226-N1228 PolarHBondContact O-N 2.85Å; E1226-K1229 WeakPolarHBondContact O-CB 3.23Å; E1226-K1229 PolarHBondContact O-N 2.84Å; E1226-K1229 VanDerWaalsContact O-N 3.1Å; E1226-N1230 PolarHBondContact O-N 3.09Å; E1226-N1230 PolarHBondContact O-ND2 3.37Å
1227S60.2Low76.9Confident30 Ų3075.5 Ų75.521%0.2137%0.373CS..Hα-helixtrans-56.4-45.9166.859.10000111.6S1223 E1224 K1229 N1230 I1231S1223-S1227 PolarHBondContact O-N 3.43Å; S1223-S1227 PolarHBondContact O-OG 2.86Å; E1224-S1227 PolarHBondContact O-OG 3.48Å; S1227-K1229 PolarHBondContact O-N 2.87Å; S1227-K1229 VanDerWaalsContact O-N 3.08Å; S1227-N1230 CarbonylContact O-C 3.6Å; S1227-N1230 PolarHBondContact O-N 3.4Å; S1227-I1231 PolarHBondContact O-N 3.05Å
1228N58.2Low77Confident108 Ų10876.1 Ų76.158%0.57838%0.379SS*.THydrogen-bonded Turntrans-59.7-18.5175.7-84.9-62000114.5E1224 E1226E1224-N1228 PolarHBondContact O-ND2 2.79Å; E1226-N1228 VanDerWaalsContact C-N 3.32Å; E1226-N1228 PolarHBondContact O-N 2.85Å
1229K61.7Low77.3Confident164 Ų16476.1 Ų76.171%0.71338%0.384SS*.THydrogen-bonded Turntrans-88.1-17.2174.1-62.1178.6-176.2174.30113.1K1225 E1226 S1227K1225-K1229 WeakPolarHBondContact O-CE 3.36Å; E1226-K1229 WeakPolarHBondContact O-CB 3.23Å; E1226-K1229 PolarHBondContact O-N 2.84Å; E1226-K1229 VanDerWaalsContact O-N 3.1Å; S1227-K1229 PolarHBondContact O-N 2.87Å; S1227-K1229 VanDerWaalsContact O-N 3.08Å
1230N73.8Confident77.6Confident46 Ų4672.2 Ų72.225%0.24636%0.364CS..  trans-120.524.4-169.7-67.1-82000112.6Y1217 F1221 E1226 S1227 K1232 L1233 S1234Y1217-N1230 HydrophobicContact CE2-CB 4.35Å; F1221-N1230 HydrophobicContact CE1-CB 4.38Å; F1221-N1230 WeakPolarHBondContact CE1-ND2 3.36Å; F1221-N1230 HydrophobicContact CZ-CB 4.4Å; E1226-N1230 PolarHBondContact O-N 3.09Å; E1226-N1230 PolarHBondContact O-ND2 3.37Å; S1227-N1230 CarbonylContact O-C 3.6Å; S1227-N1230 PolarHBondContact O-N 3.4Å; N1230-K1232 VanDerWaalsContact C-N 3.28Å; N1230-K1232 PolarHBondContact O-N 2.73Å; N1230-L1233 HydrophobicContact CB-CB 4.45Å; N1230-L1233 WeakPolarHBondContact O-CA 3.48Å; N1230-L1233 VanDerWaalsContact O-CB 3.31Å; N1230-L1233 WeakPolarHBondContact O-CB 3.32Å; N1230-L1233 PolarHBondContact O-N 2.87Å; N1230-S1234 PolarHBondContact O-N 2.94Å
1231I80.4Confident78.1Confident80 Ų8071.6 Ų71.641%0.4136%0.361SS..Hα-helixtrans-50.6-47-178.5-62.7171.3000111.4S1227 L1233 S1234 E1235S1227-I1231 PolarHBondContact O-N 3.05Å; I1231-L1233 PolarHBondContact O-N 3.29Å; I1231-L1233 VanDerWaalsContact O-N 3.1Å; I1231-S1234 WeakPolarHBondContact O-CA 3.21Å; I1231-S1234 PolarHBondContact O-N 2.93Å; I1231-S1234 PolarHBondContact O-OG 3.26Å; I1231-E1235 HydrophobicContact CG2-CG 4.24Å; I1231-E1235 WeakPolarHBondContact O-CG 2.95Å; I1231-E1235 PolarHBondContact O-N 2.89Å
1232K84.6Confident78.6Confident179 Ų17971.4 Ų71.478%0.77836%0.36SS*.Hα-helixtrans-54-31176-66.5-172.9177.3-175.10114.2N1230 E1235 F1236N1230-K1232 VanDerWaalsContact C-N 3.28Å; N1230-K1232 PolarHBondContact O-N 2.73Å; K1232-E1235 WeakPolarHBondContact CA-OE2 3.38Å; K1232-F1236 WeakPolarHBondContact O-CB 3.47Å; K1232-F1236 PolarHBondContact O-N 2.72Å; K1232-F1236 VanDerWaalsContact O-N 3.1Å
1233L88.7Confident79.6Confident16 Ų1668.2 Ų68.28%0.08433%0.333CS..Hα-helixtrans-77.4-37.8176.8-173.658.5000111.3L1087 K1091 Y1217 F1221 N1230 I1231 F1236 L1237L1087-L1233 HydrophobicContact CD2-CD2 4.07Å; K1091-L1233 HydrophobicContact CD-CD1 4.04Å; K1091-L1233 HydrophobicContact CG-CD1 4.39Å; Y1217-L1233 HydrophobicContact CD2-CD2 4.02Å; Y1217-L1233 HydrophobicContact CD2-CG 4.07Å; Y1217-L1233 HydrophobicContact CE2-CB 4.39Å; Y1217-L1233 HydrophobicContact CE2-CD2 4.42Å; Y1217-L1233 HydrophobicContact CE2-CG 4.39Å; F1221-L1233 HydrophobicContact CE2-CD2 3.95Å; N1230-L1233 HydrophobicContact CB-CB 4.45Å; N1230-L1233 WeakPolarHBondContact O-CA 3.48Å; N1230-L1233 VanDerWaalsContact O-CB 3.31Å; N1230-L1233 WeakPolarHBondContact O-CB 3.32Å; N1230-L1233 PolarHBondContact O-N 2.87Å; I1231-L1233 PolarHBondContact O-N 3.29Å; I1231-L1233 VanDerWaalsContact O-N 3.1Å; L1233-F1236 HydrophobicContact CD1-CD1 4.15Å; L1233-F1236 PolarHBondContact O-N 3.04Å; L1233-L1237 HydrophobicContact CG-CD1 4.44Å; L1233-L1237 VanDerWaalsContact O-CG 3.28Å; L1233-L1237 WeakPolarHBondContact O-CG 3.35Å; L1233-L1237 PolarHBondContact O-N 2.71Å
1234S88.3Confident81.1Confident25 Ų2565.8 Ų65.818%0.17532%0.315CS..Hα-helixtrans-66.8-36.4172.871.70000112.8N1230 I1231 T1238N1230-S1234 PolarHBondContact O-N 2.94Å; I1231-S1234 WeakPolarHBondContact O-CA 3.21Å; I1231-S1234 PolarHBondContact O-N 2.93Å; I1231-S1234 PolarHBondContact O-OG 3.26Å; S1234-T1238 WeakPolarHBondContact O-CB 3.23Å; S1234-T1238 PolarHBondContact O-N 3.31Å; S1234-T1238 PolarHBondContact O-OG1 2.92Å
1235E90.1Very high82.9Confident117 Ų11758.5 Ų58.555%0.54728%0.281SS..Hα-helixtrans-63.6-49.5173.6-69.1172.414700110.6I1231 K1232 L1237 T1238 D1239I1231-E1235 HydrophobicContact CG2-CG 4.24Å; I1231-E1235 WeakPolarHBondContact O-CG 2.95Å; I1231-E1235 PolarHBondContact O-N 2.89Å; K1232-E1235 WeakPolarHBondContact CA-OE2 3.38Å; E1235-L1237 PolarHBondContact O-N 3.41Å; E1235-T1238 PolarHBondContact O-N 3.02Å; E1235-D1239 PolarHBondContact O-N 2.84Å
1236F93.3Very high84.7Confident44 Ų4450.8 Ų50.819%0.19325%0.249CC..Hα-helixtrans-55.2-49.6174.3166.2-97.6000112.7F1090 K1091 Y1094 K1232 L1233 T1238 D1239 A1240F1090-F1236 HydrophobicContact CD1-CE1 4.12Å; F1090-F1236 AromaticContact CE1-CE1 3.95Å; F1090-F1236 HydrophobicContact CE1-CE1 3.95Å; F1090-F1236 HydrophobicContact CE1-CZ 4.28Å; K1091-F1236 HydrophobicContact CB-CE1 3.99Å; K1091-F1236 HydrophobicContact CB-CZ 4.33Å; K1091-F1236 HydrophobicContact CG-CD1 4.06Å; K1091-F1236 HydrophobicContact CG-CE1 3.72Å; K1091-F1236 HydrophobicContact CG-CZ 3.98Å; Y1094-F1236 AromaticContact CD1-CE2 3.98Å; Y1094-F1236 HydrophobicContact CD1-CE2 3.98Å; Y1094-F1236 HydrophobicContact CD1-CZ 4.12Å; Y1094-F1236 HydrophobicContact CG-CE2 4.33Å; Y1094-F1236 AromaticContact CG-CZ 3.99Å; Y1094-F1236 HydrophobicContact CG-CZ 3.99Å; K1232-F1236 WeakPolarHBondContact O-CB 3.47Å; K1232-F1236 PolarHBondContact O-N 2.72Å; K1232-F1236 VanDerWaalsContact O-N 3.1Å; L1233-F1236 HydrophobicContact CD1-CD1 4.15Å; L1233-F1236 PolarHBondContact O-N 3.04Å; F1236-T1238 VanDerWaalsContact C-N 3.29Å; F1236-T1238 PolarHBondContact O-N 2.7Å; F1236-D1239 PolarHBondContact O-N 2.64Å; F1236-A1240 VanDerWaalsContact O-CB 3.27Å; F1236-A1240 WeakPolarHBondContact O-CB 3.28Å; F1236-A1240 PolarHBondContact O-N 2.78Å
1237L93.5Very high86.4Confident2 Ų246.6 Ų46.61%0.0123%0.229CC..Hα-helixtrans-66.3-32.3-179.4-67171.1000112.4L1087 F1090 A1213 W1214 Y1217 L1233 E1235 M1241L1087-L1237 HydrophobicContact CD1-CD1 3.98Å; L1087-L1237 HydrophobicContact CD1-CD2 4.01Å; F1090-L1237 HydrophobicContact CD1-CD2 3.94Å; F1090-L1237 HydrophobicContact CE1-CD2 3.77Å; A1213-L1237 HydrophobicContact CB-CD2 3.78Å; W1214-L1237 HydrophobicContact CE3-CB 3.66Å; W1214-L1237 HydrophobicContact CE3-CD1 3.95Å; W1214-L1237 HydrophobicContact CE3-CG 4.46Å; W1214-L1237 HydrophobicContact CZ3-CB 3.9Å; W1214-L1237 HydrophobicContact CZ3-CD1 4.45Å; Y1217-L1237 VanDerWaalsContact CB-CD1 3.46Å; Y1217-L1237 HydrophobicContact CD1-CD1 4.46Å; Y1217-L1237 HydrophobicContact CD2-CD1 4Å; Y1217-L1237 HydrophobicContact CG-CD1 3.71Å; L1233-L1237 HydrophobicContact CG-CD1 4.44Å; L1233-L1237 VanDerWaalsContact O-CG 3.28Å; L1233-L1237 WeakPolarHBondContact O-CG 3.35Å; L1233-L1237 PolarHBondContact O-N 2.71Å; E1235-L1237 PolarHBondContact O-N 3.41Å; L1237-M1241 WeakPolarHBondContact O-CG 3.13Å; L1237-M1241 PolarHBondContact O-N 2.36Å
1238T92.4Very high88Confident34 Ų3446.2 Ų46.221%0.20922%0.224CC..Hα-helixtrans-67.9-46.1175.6-57.20000111.3F779 S1234 E1235 F1236 M1241 E1242F779-T1238 HydrophobicContact CZ-CG2 4.06Å; S1234-T1238 WeakPolarHBondContact O-CB 3.23Å; S1234-T1238 PolarHBondContact O-N 3.31Å; S1234-T1238 PolarHBondContact O-OG1 2.92Å; E1235-T1238 PolarHBondContact O-N 3.02Å; F1236-T1238 VanDerWaalsContact C-N 3.29Å; F1236-T1238 PolarHBondContact O-N 2.7Å; T1238-M1241 PolarHBondContact O-N 2.74Å; T1238-E1242 WeakPolarHBondContact CG2-OE1 3.48Å; T1238-E1242 WeakPolarHBondContact O-CG 3.45Å; T1238-E1242 PolarHBondContact O-N 2.71Å
1239D92.8Very high89.7Confident77 Ų7742.1 Ų42.141%0.41220%0.202SC..Hα-helixtrans-63.9-45.3175.3-171.155.7000110.9E1235 F1236 M1241 E1242 R1243E1235-D1239 PolarHBondContact O-N 2.84Å; F1236-D1239 PolarHBondContact O-N 2.64Å; D1239-M1241 VanDerWaalsContact C-N 3.35Å; D1239-M1241 PolarHBondContact O-N 3.32Å; D1239-E1242 PolarHBondContact O-N 2.17Å; D1239-E1242 VanDerWaalsContact O-N 3.15Å; D1239-R1243 WeakPolarHBondContact O-CB 3.5Å; D1239-R1243 WeakPolarHBondContact O-CG 3.35Å; D1239-R1243 PolarHBondContact O-N 2.79Å; D1239-R1243 WeakPolarHBondContact OD2-CD 3.44Å; D1239-R1243 IonicContact OD2-NH1 2.68Å
1240A94.7Very high91.2Very high0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-55.5-46.217600000112.2F1090 Y1094 F1236 R1243 V1244F1090-A1240 HydrophobicContact CE1-CB 4.29Å; F1090-A1240 HydrophobicContact CZ-CB 4.29Å; Y1094-A1240 HydrophobicContact CD1-CB 4.42Å; Y1094-A1240 HydrophobicContact CD2-CB 4.07Å; Y1094-A1240 HydrophobicContact CE1-CB 4.07Å; Y1094-A1240 HydrophobicContact CE2-CB 3.69Å; Y1094-A1240 HydrophobicContact CG-CB 4.44Å; Y1094-A1240 PolarHBondContact OH-O 2.66Å; F1236-A1240 VanDerWaalsContact O-CB 3.27Å; F1236-A1240 WeakPolarHBondContact O-CB 3.28Å; F1236-A1240 PolarHBondContact O-N 2.78Å; A1240-R1243 PolarHBondContact O-N 2.76Å; A1240-V1244 VanDerWaalsContact O-CG2 3.29Å; A1240-V1244 WeakPolarHBondContact O-CG2 3.42Å; A1240-V1244 PolarHBondContact O-N 3.36Å
1241M94.7Very high92.2Very high1 Ų135.1 Ų35.11%0.00517%0.168CC..Hα-helixtrans-62-47.5174.5-80-167.7165.800112.6V776 F779 W780 S1210 K1211 W1214 L1237 T1238 D1239 R1243 V1244 I1245V776-M1241 HydrophobicContact CG1-CE 4.33Å; F779-M1241 HydrophobicContact CD1-SD 3.54Å; F779-M1241 VanDerWaalsContact CD1-SD 3.54Å; F779-M1241 HydrophobicContact CE1-SD 3.59Å; F779-M1241 VanDerWaalsContact CE1-SD 3.59Å; W780-M1241 HydrophobicContact CE3-CB 4.41Å; W780-M1241 HydrophobicContact CE3-CE 4.13Å; W780-M1241 HydrophobicContact CE3-CG 4.08Å; W780-M1241 HydrophobicContact CE3-SD 3.97Å; W780-M1241 HydrophobicContact CZ3-CB 4.32Å; W780-M1241 HydrophobicContact CZ3-CG 4.03Å; W780-M1241 HydrophobicContact CZ3-SD 4.5Å; S1210-M1241 WeakPolarHBondContact O-CE 3.5Å; S1210-M1241 VanDerWaalsContact OG-CG 3.26Å; S1210-M1241 WeakPolarHBondContact OG-CG 3.22Å; K1211-M1241 HydrophobicContact CG-CE 4.21Å; W1214-M1241 HydrophobicContact CB-CE 3.51Å; W1214-M1241 HydrophobicContact CG-CE 4.01Å; L1237-M1241 WeakPolarHBondContact O-CG 3.13Å; L1237-M1241 PolarHBondContact O-N 2.36Å; T1238-M1241 PolarHBondContact O-N 2.74Å; D1239-M1241 VanDerWaalsContact C-N 3.35Å; D1239-M1241 PolarHBondContact O-N 3.32Å; M1241-R1243 PolarHBondContact O-N 3.16Å; M1241-V1244 PolarHBondContact O-N 3.35Å; M1241-I1245 WeakPolarHBondContact O-CD1 3.1Å; M1241-I1245 VanDerWaalsContact O-CG1 3.25Å; M1241-I1245 WeakPolarHBondContact O-CG1 3.2Å; M1241-I1245 PolarHBondContact O-N 2.82Å
1242E94.2Very high92.8Very high10 Ų1038 Ų385%0.04717%0.174CC..Hα-helixtrans-59.7-35.5178.5-75.5174-143.700112.1C783 K786 V787 R790 T1238 D1239 C1246C783-E1242 HydrophobicContact CB-CG 3.97Å; K786-E1242 WeakPolarHBondContact CD-OE1 3.4Å; K786-E1242 VanDerWaalsContact CE-OE1 3.29Å; K786-E1242 WeakPolarHBondContact CE-OE1 3.4Å; K786-E1242 WeakPolarHBondContact CE-OE2 3.43Å; K786-E1242 VanDerWaalsContact NZ-CD 3.3Å; K786-E1242 IonicContact NZ-OE1 3.88Å; K786-E1242 PolarHBondContact NZ-OE1 3.16Å; K786-E1242 IonicContact NZ-OE2 3.75Å; K786-E1242 PolarHBondContact NZ-OE2 3.44Å; K786-E1242 VanDerWaalsContact NZ-OE2 3.13Å; V787-E1242 HydrophobicContact CG2-CB 3.74Å; V787-E1242 HydrophobicContact CG2-CG 3.93Å; V787-E1242 WeakPolarHBondContact CG2-O 3.23Å; R790-E1242 IonicContact CZ-OE2 3.8Å; R790-E1242 IonicContact NH1-OE2 2.83Å; R790-E1242 PolarHBondContact NH1-OE2 2.91Å; R790-E1242 IonicContact NH2-OE2 3.12Å; T1238-E1242 WeakPolarHBondContact CG2-OE1 3.48Å; T1238-E1242 WeakPolarHBondContact O-CG 3.45Å; T1238-E1242 PolarHBondContact O-N 2.71Å; D1239-E1242 PolarHBondContact O-N 2.17Å; D1239-E1242 VanDerWaalsContact O-N 3.15Å; E1242-C1246 WeakPolarHBondContact O-CB 3.24Å; E1242-C1246 PolarHBondContact O-N 2.6Å
1243R94.4Very high93.2Very high36 Ų3630.8 Ų30.814%0.13614%0.142CC..Hα-helixtrans-77.6-38.4179.1-69172.574.798.217.7113.4L794 K795 Y1094 E1098 D1239 A1240 M1241 I1245 C1246 L1247L794-R1243 HydrophobicContact CD1-CB 3.92Å; L794-R1243 HydrophobicContact CD1-CG 4.17Å; K795-R1243 VanDerWaalsContact CD-NH2 3.31Å; K795-R1243 VanDerWaalsContact CG-NH2 3.3Å; Y1094-R1243 WeakPolarHBondContact OH-CB 3.23Å; E1098-R1243 IonicContact OE1-CZ 2.72Å; E1098-R1243 IonicContact OE1-NE 3.1Å; E1098-R1243 PolarHBondContact OE1-NE 3.25Å; E1098-R1243 IonicContact OE1-NH2 3.62Å; E1098-R1243 PolarHBondContact OE1-NH2 2.75Å; E1098-R1243 IonicContact OE2-CZ 2.78Å; E1098-R1243 IonicContact OE2-NE 3.05Å; E1098-R1243 IonicContact OE2-NH2 2.72Å; E1098-R1243 PolarHBondContact OE2-NH2 2.89Å; D1239-R1243 WeakPolarHBondContact O-CB 3.5Å; D1239-R1243 WeakPolarHBondContact O-CG 3.35Å; D1239-R1243 PolarHBondContact O-N 2.79Å; D1239-R1243 WeakPolarHBondContact OD2-CD 3.44Å; D1239-R1243 IonicContact OD2-NH1 2.68Å; A1240-R1243 PolarHBondContact O-N 2.76Å; M1241-R1243 PolarHBondContact O-N 3.16Å; R1243-I1245 VanDerWaalsContact C-N 3.33Å; R1243-I1245 PolarHBondContact O-N 2.67Å; R1243-C1246 VanDerWaalsContact O-CB 3.31Å; R1243-C1246 WeakPolarHBondContact O-CB 3.36Å; R1243-C1246 PolarHBondContact O-N 2.88Å; R1243-L1247 PolarHBondContact O-N 3.31Å
1244V95.3Very high93.4Very high0 Ų030 Ų300%014%0.138CC..Hα-helixtrans-62.9-41.4171.4174.60000110.7W780 Y1094 L1203 L1206 E1207 A1240 M1241 C1246 L1247 Q1248W780-V1244 HydrophobicContact CH2-CB 4.47Å; W780-V1244 HydrophobicContact CH2-CG1 3.99Å; Y1094-V1244 HydrophobicContact CE2-CG2 3.91Å; L1203-V1244 HydrophobicContact CD1-CG1 4.45Å; L1206-V1244 HydrophobicContact CD2-CG2 3.86Å; L1206-V1244 HydrophobicContact CG-CG2 3.73Å; E1207-V1244 HydrophobicContact CB-CG1 4.21Å; A1240-V1244 VanDerWaalsContact O-CG2 3.29Å; A1240-V1244 WeakPolarHBondContact O-CG2 3.42Å; A1240-V1244 PolarHBondContact O-N 3.36Å; M1241-V1244 PolarHBondContact O-N 3.35Å; V1244-C1246 VanDerWaalsContact C-N 3.3Å; V1244-C1246 PolarHBondContact O-N 2.63Å; V1244-L1247 WeakPolarHBondContact O-CB 3.38Å; V1244-L1247 PolarHBondContact O-N 3.12Å; V1244-Q1248 WeakPolarHBondContact O-CG 3.35Å; V1244-Q1248 PolarHBondContact O-N 2.65Å
1245I94.2Very high93.6Very high1 Ų130.3 Ų30.31%0.00514%0.14CC..Hα-helixtrans-65.8-36.1175.1-62.1157.4000111W780 C783 L784 V787 M1241 R1243 Q1248 M1249W780-I1245 HydrophobicContact CD2-CD1 3.98Å; W780-I1245 HydrophobicContact CD2-CG1 4.24Å; W780-I1245 HydrophobicContact CE3-CD1 3.98Å; W780-I1245 HydrophobicContact CE3-CG1 4.26Å; W780-I1245 HydrophobicContact CH2-CD1 4.26Å; W780-I1245 HydrophobicContact CH2-CG1 3.63Å; W780-I1245 HydrophobicContact CZ2-CD1 4.25Å; W780-I1245 HydrophobicContact CZ2-CG1 3.58Å; W780-I1245 HydrophobicContact CZ3-CD1 4.13Å; W780-I1245 HydrophobicContact CZ3-CG1 3.98Å; C783-I1245 HydrophobicContact CB-CD1 3.7Å; L784-I1245 HydrophobicContact CB-CD1 4.01Å; L784-I1245 HydrophobicContact CB-CG2 4.08Å; L784-I1245 HydrophobicContact CD1-CG2 3.91Å; L784-I1245 HydrophobicContact CG-CG2 4.05Å; V787-I1245 HydrophobicContact CB-CG2 4.22Å; V787-I1245 HydrophobicContact CG1-CG2 4.22Å; V787-I1245 HydrophobicContact CG2-CB 4.38Å; V787-I1245 HydrophobicContact CG2-CG2 4.44Å; M1241-I1245 WeakPolarHBondContact O-CD1 3.1Å; M1241-I1245 VanDerWaalsContact O-CG1 3.25Å; M1241-I1245 WeakPolarHBondContact O-CG1 3.2Å; M1241-I1245 PolarHBondContact O-N 2.82Å; R1243-I1245 VanDerWaalsContact C-N 3.33Å; R1243-I1245 PolarHBondContact O-N 2.67Å; I1245-Q1248 PolarHBondContact O-N 3.11Å; I1245-M1249 WeakPolarHBondContact O-CG 3.22Å; I1245-M1249 PolarHBondContact O-N 3.44Å
1246C93.9Very high93.7Very high8 Ų824.8 Ų24.85%0.05411%0.114CC..Hα-helixtrans-60.5-49.2171.7-166.10000111.3V787 L794 E1242 R1243 V1244 Q1248 M1249 V1250V787-C1246 HydrophobicContact CG1-CB 4.13Å; L794-C1246 HydrophobicContact CD1-CB 4.18Å; E1242-C1246 WeakPolarHBondContact O-CB 3.24Å; E1242-C1246 PolarHBondContact O-N 2.6Å; R1243-C1246 VanDerWaalsContact O-CB 3.31Å; R1243-C1246 WeakPolarHBondContact O-CB 3.36Å; R1243-C1246 PolarHBondContact O-N 2.88Å; V1244-C1246 VanDerWaalsContact C-N 3.3Å; V1244-C1246 PolarHBondContact O-N 2.63Å; C1246-Q1248 VanDerWaalsContact C-N 3.31Å; C1246-Q1248 PolarHBondContact O-N 3.16Å; C1246-M1249 PolarHBondContact O-N 3.47Å; C1246-M1249 VanDerWaalsContact O-N 3.09Å; C1246-V1250 WeakPolarHBondContact O-CG2 3.37Å; C1246-V1250 PolarHBondContact O-N 3.11Å
1247L94.6Very high93.6Very high1 Ų124.7 Ų24.71%0.00511%0.113CC..Hα-helixtrans-55.6-42.4174.2-80.1169.7000112.3L794 E1098 I1101 A1102 L1105 L1203 L1206 R1243 V1244 M1249 V1250 Y1251L794-L1247 HydrophobicContact CD1-CG 4.35Å; L794-L1247 HydrophobicContact CD2-CD1 4.43Å; L794-L1247 HydrophobicContact CD2-CD2 3.46Å; L794-L1247 VanDerWaalsContact CD2-CD2 3.46Å; L794-L1247 HydrophobicContact CD2-CG 3.78Å; E1098-L1247 HydrophobicContact CG-CD1 4.35Å; I1101-L1247 HydrophobicContact CB-CD2 4.41Å; I1101-L1247 HydrophobicContact CG2-CD2 4.03Å; A1102-L1247 HydrophobicContact CB-CD2 4.12Å; L1105-L1247 HydrophobicContact CD1-CD2 4.28Å; L1203-L1247 HydrophobicContact CD1-CB 3.77Å; L1203-L1247 HydrophobicContact CD1-CD1 4.46Å; L1206-L1247 HydrophobicContact CD2-CD1 4.29Å; R1243-L1247 PolarHBondContact O-N 3.31Å; V1244-L1247 WeakPolarHBondContact O-CB 3.38Å; V1244-L1247 PolarHBondContact O-N 3.12Å; L1247-M1249 PolarHBondContact O-N 3.48Å; L1247-V1250 PolarHBondContact O-N 2.61Å; L1247-Y1251 WeakPolarHBondContact O-CB 3.21Å; L1247-Y1251 PolarHBondContact O-N 3.23Å
1248Q94.5Very high93.6Very high21 Ų2125 Ų2510%0.09811%0.114CC..Hα-helixtrans-64.2-38.3175.4-71.7-168.5-1100113.4L1203 E1207 V1244 I1245 C1246 R1252L1203-Q1248 HydrophobicContact CD1-CG 4.04Å; L1203-Q1248 HydrophobicContact CD2-CG 4.16Å; L1203-Q1248 HydrophobicContact CG-CG 4.06Å; E1207-Q1248 PolarHBondContact OE2-NE2 3.23Å; V1244-Q1248 WeakPolarHBondContact O-CG 3.35Å; V1244-Q1248 PolarHBondContact O-N 2.65Å; I1245-Q1248 PolarHBondContact O-N 3.11Å; C1246-Q1248 VanDerWaalsContact C-N 3.31Å; C1246-Q1248 PolarHBondContact O-N 3.16Å; Q1248-R1252 WeakPolarHBondContact O-CB 3.41Å; Q1248-R1252 WeakPolarHBondContact O-CG 3.45Å; Q1248-R1252 PolarHBondContact O-N 3.05Å; Q1248-R1252 VanDerWaalsContact O-N 3.15Å
1249M92.9Very high93.6Very high22 Ų2225.6 Ų25.611%0.10811%0.112CC..Hα-helixtrans-67.9-41.3174.7-70.2-177.16500111.7V787 K788 L792 I1245 C1246 L1247 R1253V787-M1249 HydrophobicContact CG1-SD 3.97Å; K788-M1249 HydrophobicContact CG-CE 4.25Å; K788-M1249 HydrophobicContact CG-SD 4.21Å; L792-M1249 HydrophobicContact CD1-CB 4.45Å; L792-M1249 HydrophobicContact CD2-CB 3.98Å; L792-M1249 HydrophobicContact CD2-CE 4.21Å; L792-M1249 HydrophobicContact CD2-SD 4.34Å; I1245-M1249 WeakPolarHBondContact O-CG 3.22Å; I1245-M1249 PolarHBondContact O-N 3.44Å; C1246-M1249 PolarHBondContact O-N 3.47Å; C1246-M1249 VanDerWaalsContact O-N 3.09Å; L1247-M1249 PolarHBondContact O-N 3.48Å; M1249-R1253 WeakPolarHBondContact O-CG 3.29Å; M1249-R1253 PolarHBondContact O-N 3.01Å; M1249-R1253 VanDerWaalsContact O-N 3.1Å
1250V93.9Very high93.5Very high2 Ų225.8 Ų25.81%0.01211%0.111CC..Hα-helixtrans-64.3-50.1175.9173.60000111L792 F799 L802 L1105 C1246 L1247 R1252 R1253 M1254L792-V1250 HydrophobicContact CB-CG2 4.34Å; L792-V1250 HydrophobicContact CD1-CG2 4.22Å; F799-V1250 HydrophobicContact CB-CG1 4.41Å; F799-V1250 HydrophobicContact CB-CG2 3.76Å; F799-V1250 HydrophobicContact CD1-CG1 3.48Å; F799-V1250 VanDerWaalsContact CD1-CG1 3.48Å; F799-V1250 HydrophobicContact CD1-CG2 4.32Å; F799-V1250 HydrophobicContact CD2-CG1 4.08Å; F799-V1250 HydrophobicContact CD2-CG2 3.85Å; F799-V1250 HydrophobicContact CE1-CG1 3.54Å; F799-V1250 HydrophobicContact CE2-CG1 4.13Å; F799-V1250 HydrophobicContact CE2-CG2 4.48Å; F799-V1250 HydrophobicContact CG-CB 4.46Å; F799-V1250 HydrophobicContact CG-CG1 3.76Å; F799-V1250 HydrophobicContact CG-CG2 3.75Å; F799-V1250 HydrophobicContact CZ-CG1 3.86Å; L802-V1250 HydrophobicContact CD1-CB 4.44Å; L802-V1250 HydrophobicContact CD1-CG1 4.04Å; L1105-V1250 HydrophobicContact CB-CG1 4.13Å; L1105-V1250 HydrophobicContact CD1-CG1 4.09Å; C1246-V1250 WeakPolarHBondContact O-CG2 3.37Å; C1246-V1250 PolarHBondContact O-N 3.11Å; L1247-V1250 PolarHBondContact O-N 2.61Å; V1250-R1252 PolarHBondContact O-N 3.41Å; V1250-R1253 PolarHBondContact O-N 2.96Å; V1250-M1254 VanDerWaalsContact O-CB 3.27Å; V1250-M1254 WeakPolarHBondContact O-CB 3.4Å; V1250-M1254 PolarHBondContact O-N 3.01Å
1251Y95Very high93.4Very high61 Ų6126 Ų2624%0.23911%0.112CC..Hα-helixtrans-55-48.7177.8175.3-89.6000111.8L1105 L1199 P1200 L1203 L1247 S1255L1105-Y1251 HydrophobicContact CD2-CD2 4.11Å; L1199-Y1251 HydrophobicContact CD2-CD2 4.4Å; L1199-Y1251 HydrophobicContact CD2-CE2 4.34Å; P1200-Y1251 HydrophobicContact CB-CE2 4.31Å; L1203-Y1251 HydrophobicContact CD2-CD1 4.48Å; L1203-Y1251 HydrophobicContact CD2-CD2 4.34Å; L1203-Y1251 HydrophobicContact CD2-CG 3.92Å; L1247-Y1251 WeakPolarHBondContact O-CB 3.21Å; L1247-Y1251 PolarHBondContact O-N 3.23Å; Y1251-S1255 VanDerWaalsContact O-CB 3.27Å; Y1251-S1255 WeakPolarHBondContact O-CB 3.32Å; Y1251-S1255 PolarHBondContact O-N 3.39Å; Y1251-S1255 PolarHBondContact O-OG 3.46Å
1252R92.6Very high93.3Very high141 Ų14126 Ų2653%0.53211%0.112SC..Hα-helixtrans-63.3-47.1-179.2-70.3174-166-149.17.7111.9Q1248 V1250 S1255 A1256Q1248-R1252 WeakPolarHBondContact O-CB 3.41Å; Q1248-R1252 WeakPolarHBondContact O-CG 3.45Å; Q1248-R1252 PolarHBondContact O-N 3.05Å; Q1248-R1252 VanDerWaalsContact O-N 3.15Å; V1250-R1252 PolarHBondContact O-N 3.41Å; R1252-S1255 PolarHBondContact O-N 3.39Å; R1252-A1256 PolarHBondContact O-N 2.86Å
1253R92.9Very high93.1Very high27 Ų2728.4 Ų28.410%0.10212%0.123CC..Hα-helixtrans-70.4-40.4-180-68.5-178.4-172.81734.5112.6L802 M1249 V1250 S1255 A1256 R1257L802-R1253 HydrophobicContact CB-CB 3.88Å; L802-R1253 HydrophobicContact CB-CG 4.48Å; L802-R1253 HydrophobicContact CD1-CB 4.05Å; L802-R1253 HydrophobicContact CD2-CB 4.11Å; L802-R1253 HydrophobicContact CG-CB 4.24Å; L802-R1253 WeakPolarHBondContact O-CD 3.44Å; L802-R1253 PolarHBondContact O-NH1 2.96Å; M1249-R1253 WeakPolarHBondContact O-CG 3.29Å; M1249-R1253 PolarHBondContact O-N 3.01Å; M1249-R1253 VanDerWaalsContact O-N 3.1Å; V1250-R1253 PolarHBondContact O-N 2.96Å; R1253-S1255 VanDerWaalsContact C-N 3.31Å; R1253-S1255 PolarHBondContact O-N 2.81Å; R1253-A1256 PolarHBondContact O-N 3.37Å; R1253-A1256 VanDerWaalsContact O-N 3.11Å; R1253-R1257 WeakPolarHBondContact O-CB 3.45Å; R1253-R1257 PolarHBondContact O-N 2.72Å
1254M93.8Very high92.9Very high0 Ų028.8 Ų28.80%013%0.125CC..Hα-helixtrans-65.7-36.4177.2-162.561.7-124.800111.5L802 L1105 L1108 K1109 V1112 V1250 A1256 R1257 F1258L802-M1254 HydrophobicContact CD1-CB 4.49Å; L802-M1254 HydrophobicContact CD2-SD 4.04Å; L1105-M1254 HydrophobicContact CD2-CB 4.37Å; L1108-M1254 HydrophobicContact CB-CG 4.29Å; L1108-M1254 HydrophobicContact CD2-CG 3.82Å; L1108-M1254 HydrophobicContact CG-CE 4.06Å; L1108-M1254 HydrophobicContact CG-CG 3.89Å; K1109-M1254 HydrophobicContact CB-SD 3.7Å; K1109-M1254 HydrophobicContact CG-SD 4.42Å; V1112-M1254 HydrophobicContact CB-CE 4.09Å; V1112-M1254 HydrophobicContact CG2-CE 3.64Å; V1250-M1254 VanDerWaalsContact O-CB 3.27Å; V1250-M1254 WeakPolarHBondContact O-CB 3.4Å; V1250-M1254 PolarHBondContact O-N 3.01Å; M1254-A1256 VanDerWaalsContact C-N 3.3Å; M1254-A1256 PolarHBondContact O-N 3.35Å; M1254-R1257 HydrophobicContact CE-CB 4.03Å; M1254-R1257 HydrophobicContact CE-CG 3.84Å; M1254-R1257 PolarHBondContact O-N 3.02Å; M1254-F1258 VanDerWaalsContact O-CB 3.27Å; M1254-F1258 WeakPolarHBondContact O-CB 3.34Å; M1254-F1258 PolarHBondContact O-N 3.05Å
1255S92.1Very high92.7Very high32 Ų3229 Ų2922%0.22413%0.126CC..Hα-helixtrans-63.3-33.5172-59.90000112.9Y1251 R1252 R1253 R1259Y1251-S1255 VanDerWaalsContact O-CB 3.27Å; Y1251-S1255 WeakPolarHBondContact O-CB 3.32Å; Y1251-S1255 PolarHBondContact O-N 3.39Å; Y1251-S1255 PolarHBondContact O-OG 3.46Å; R1252-S1255 PolarHBondContact O-N 3.39Å; R1253-S1255 VanDerWaalsContact C-N 3.31Å; R1253-S1255 PolarHBondContact O-N 2.81Å; S1255-R1259 WeakPolarHBondContact O-CG 3.49Å; S1255-R1259 PolarHBondContact O-N 2.69Å; S1255-R1259 PolarHBondContact O-NE 2.94Å
1256A91.2Very high92.3Very high1 Ų129.1 Ų29.11%0.00813%0.127CC..Hα-helixtrans-76.1-46.9175.200000112.5E806 R1252 R1253 M1254 F1258 R1259 H1260E806-A1256 HydrophobicContact CB-CB 4.47Å; E806-A1256 WeakPolarHBondContact O-CB 3.38Å; R1252-A1256 PolarHBondContact O-N 2.86Å; R1253-A1256 PolarHBondContact O-N 3.37Å; R1253-A1256 VanDerWaalsContact O-N 3.11Å; M1254-A1256 VanDerWaalsContact C-N 3.3Å; M1254-A1256 PolarHBondContact O-N 3.35Å; A1256-F1258 PolarHBondContact O-N 2.74Å; A1256-R1259 PolarHBondContact O-N 2.68Å; A1256-H1260 PolarHBondContact O-CD2 2.95Å; A1256-H1260 PolarHBondContact O-N 3.29Å
1257R92.4Very high92Very high42 Ų4229.1 Ų29.116%0.15813%0.126CC..Hα-helixtrans-55.6-39.3172.1178.1171.9-70.6-175.30.8112D801 L802 E806 V1112 R1253 M1254 H1260 T1261D801-R1257 PolarHBondContact O-NH2 3.04Å; D801-R1257 IonicContact OD2-CZ 2.69Å; D801-R1257 IonicContact OD2-NH1 2.68Å; D801-R1257 PolarHBondContact OD2-NH1 3.33Å; L802-R1257 HydrophobicContact CD2-CB 4.49Å; E806-R1257 IonicContact OE1-CZ 2.92Å; E806-R1257 VanDerWaalsContact OE1-CZ 3.23Å; E806-R1257 IonicContact OE1-NE 2.68Å; E806-R1257 PolarHBondContact OE1-NE 3.22Å; E806-R1257 IonicContact OE1-NH2 2.87Å; E806-R1257 PolarHBondContact OE1-NH2 3.37Å; E806-R1257 IonicContact OE2-CZ 2.73Å; E806-R1257 IonicContact OE2-NE 3.8Å; E806-R1257 IonicContact OE2-NH2 2.72Å; E806-R1257 PolarHBondContact OE2-NH2 2.91Å; V1112-R1257 HydrophobicContact CG1-CG 4.22Å; R1253-R1257 WeakPolarHBondContact O-CB 3.45Å; R1253-R1257 PolarHBondContact O-N 2.72Å; M1254-R1257 HydrophobicContact CE-CB 4.03Å; M1254-R1257 HydrophobicContact CE-CG 3.84Å; M1254-R1257 PolarHBondContact O-N 3.02Å; R1257-H1260 PolarHBondContact O-N 2.97Å; R1257-T1261 WeakPolarHBondContact O-CB 3.45Å; R1257-T1261 PolarHBondContact O-N 3.19Å; R1257-T1261 PolarHBondContact O-OG1 3.04Å
1258F93.4Very high91.7Very high8 Ų831.5 Ų31.54%0.03514%0.143CC..Hα-helixtrans-61.9-47.4173176.4-104.9000112.1L1108 M1254 A1256 H1260 T1261 L1262 V1277 F1280L1108-F1258 HydrophobicContact CD1-CD2 3.94Å; M1254-F1258 VanDerWaalsContact O-CB 3.27Å; M1254-F1258 WeakPolarHBondContact O-CB 3.34Å; M1254-F1258 PolarHBondContact O-N 3.05Å; A1256-F1258 PolarHBondContact O-N 2.74Å; F1258-H1260 PolarHBondContact O-N 3.24Å; F1258-T1261 WeakPolarHBondContact O-CA 3.39Å; F1258-T1261 VanDerWaalsContact O-CB 3.29Å; F1258-T1261 WeakPolarHBondContact O-CB 3.41Å; F1258-T1261 PolarHBondContact O-N 3.44Å; F1258-L1262 HydrophobicContact CD1-CD1 4.26Å; F1258-L1262 HydrophobicContact CE1-CD1 3.57Å; F1258-L1262 HydrophobicContact CE1-CG 4.06Å; F1258-L1262 HydrophobicContact CE2-CD2 4.29Å; F1258-L1262 HydrophobicContact CE2-CG 4.4Å; F1258-L1262 HydrophobicContact CZ-CD1 3.82Å; F1258-L1262 HydrophobicContact CZ-CD2 3.96Å; F1258-L1262 HydrophobicContact CZ-CG 3.97Å; F1258-L1262 PolarHBondContact O-N 3.36Å; F1258-V1277 HydrophobicContact CD1-CG2 3.66Å; F1258-V1277 HydrophobicContact CD2-CG2 4.29Å; F1258-V1277 HydrophobicContact CE1-CB 4.34Å; F1258-V1277 HydrophobicContact CE1-CG2 3.66Å; F1258-V1277 HydrophobicContact CE2-CG1 4.37Å; F1258-V1277 HydrophobicContact CE2-CG2 4.29Å; F1258-V1277 HydrophobicContact CG-CG2 3.99Å; F1258-V1277 HydrophobicContact CZ-CB 4.25Å; F1258-V1277 HydrophobicContact CZ-CG2 4Å; F1258-F1280 HydrophobicContact CE2-CB 4.49Å; F1258-F1280 AromaticContact CE2-CD1 3.59Å; F1258-F1280 HydrophobicContact CE2-CD1 3.59Å; F1258-F1280 HydrophobicContact CE2-CE1 4.09Å; F1258-F1280 HydrophobicContact CE2-CG 4.21Å; F1258-F1280 HydrophobicContact CZ-CB 3.91Å; F1258-F1280 AromaticContact CZ-CD1 3.85Å; F1258-F1280 HydrophobicContact CZ-CD1 3.85Å; F1258-F1280 AromaticContact CZ-CG 3.98Å; F1258-F1280 HydrophobicContact CZ-CG 3.98Å
1259R92.4Very high91.4Very high47 Ų4734.3 Ų34.318%0.17716%0.163CC..Hα-helixtrans-60-43.8175.2-74.1179.2-65.5112.4-5.2112.5D809 S1255 A1256 T1261 L1262 E1263D809-R1259 IonicContact OD1-CZ 3.1Å; D809-R1259 IonicContact OD1-NH1 3.79Å; D809-R1259 PolarHBondContact OD1-NH1 3.06Å; D809-R1259 IonicContact OD1-NH2 2.65Å; D809-R1259 IonicContact OD2-CZ 3.33Å; D809-R1259 VanDerWaalsContact OD2-CZ 3.29Å; D809-R1259 IonicContact OD2-NH1 3.6Å; D809-R1259 PolarHBondContact OD2-NH1 3.36Å; D809-R1259 IonicContact OD2-NH2 2.69Å; D809-R1259 PolarHBondContact OD2-NH2 2.88Å; S1255-R1259 WeakPolarHBondContact O-CG 3.49Å; S1255-R1259 PolarHBondContact O-N 2.69Å; S1255-R1259 PolarHBondContact O-NE 2.94Å; A1256-R1259 PolarHBondContact O-N 2.68Å; R1259-T1261 PolarHBondContact O-N 3.28Å; R1259-L1262 WeakPolarHBondContact O-CB 3.3Å; R1259-L1262 PolarHBondContact O-N 2.89Å; R1259-L1262 VanDerWaalsContact O-N 3.1Å; R1259-E1263 WeakPolarHBondContact O-CG 3.21Å; R1259-E1263 PolarHBondContact O-N 3.01Å
1260H91.4Very high91.1Very high81 Ų8136.9 Ų36.938%0.37519%0.188SC..Hα-helixtrans-63.4-29.6173.4-64.5-35.5000113.1A1256 R1257 F1258 E1263 Y1264A1256-H1260 PolarHBondContact O-CD2 2.95Å; A1256-H1260 PolarHBondContact O-N 3.29Å; R1257-H1260 PolarHBondContact O-N 2.97Å; F1258-H1260 PolarHBondContact O-N 3.24Å; H1260-E1263 IonicContact CE1-OE2 3.29Å; H1260-E1263 IonicContact CG-OE2 2.64Å; H1260-E1263 IonicContact ND1-OE2 3.31Å; H1260-E1263 PolarHBondContact ND1-OE2 3.26Å; H1260-E1263 PolarHBondContact O-N 3.18Å; H1260-Y1264 PolarHBondContact O-N 3.27Å
1261T91.9Very high90.8Very high5 Ų539.1 Ų39.13%0.03120%0.196CC..Hα-helixtrans-68.9-39.5172.5-53.10000111.1V1112 L1115 I1116 R1257 F1258 R1259 Y1264 L1265V1112-T1261 HydrophobicContact CG1-CG2 4.22Å; V1112-T1261 VanDerWaalsContact CG1-OG1 3.3Å; V1112-T1261 WeakPolarHBondContact CG1-OG1 3.42Å; V1112-T1261 HydrophobicContact CG2-CG2 4.34Å; L1115-T1261 HydrophobicContact CD2-CG2 4.18Å; I1116-T1261 HydrophobicContact CD1-CG2 4.48Å; I1116-T1261 HydrophobicContact CG1-CG2 4.42Å; R1257-T1261 WeakPolarHBondContact O-CB 3.45Å; R1257-T1261 PolarHBondContact O-N 3.19Å; R1257-T1261 PolarHBondContact O-OG1 3.04Å; F1258-T1261 WeakPolarHBondContact O-CA 3.39Å; F1258-T1261 VanDerWaalsContact O-CB 3.29Å; F1258-T1261 WeakPolarHBondContact O-CB 3.41Å; F1258-T1261 PolarHBondContact O-N 3.44Å; R1259-T1261 PolarHBondContact O-N 3.28Å; T1261-Y1264 PolarHBondContact O-N 3Å; T1261-L1265 HydrophobicContact CG2-CD1 4.17Å; T1261-L1265 WeakPolarHBondContact O-CB 3.48Å; T1261-L1265 WeakPolarHBondContact O-CD1 3.44Å; T1261-L1265 WeakPolarHBondContact O-CG 3.49Å; T1261-L1265 PolarHBondContact O-N 2.79Å
1262L92.7Very high90.5Very high0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-64.6-39.2171.8-63.5-178.2000112.2F1258 R1259 L1265 G1266 Y1267 A1272 T1275 F1280F1258-L1262 HydrophobicContact CD1-CD1 4.26Å; F1258-L1262 HydrophobicContact CE1-CD1 3.57Å; F1258-L1262 HydrophobicContact CE1-CG 4.06Å; F1258-L1262 HydrophobicContact CE2-CD2 4.29Å; F1258-L1262 HydrophobicContact CE2-CG 4.4Å; F1258-L1262 HydrophobicContact CZ-CD1 3.82Å; F1258-L1262 HydrophobicContact CZ-CD2 3.96Å; F1258-L1262 HydrophobicContact CZ-CG 3.97Å; F1258-L1262 PolarHBondContact O-N 3.36Å; R1259-L1262 WeakPolarHBondContact O-CB 3.3Å; R1259-L1262 PolarHBondContact O-N 2.89Å; R1259-L1262 VanDerWaalsContact O-N 3.1Å; L1262-L1265 CarbonylContact O-C 3.13Å; L1262-L1265 PolarHBondContact O-N 2.87Å; L1262-G1266 PolarHBondContact O-N 3.49Å; L1262-Y1267 HydrophobicContact CB-CD2 4.41Å; L1262-Y1267 HydrophobicContact CB-CG 4.25Å; L1262-Y1267 HydrophobicContact CD2-CD2 4.49Å; L1262-Y1267 WeakPolarHBondContact O-CB 2.98Å; L1262-Y1267 PolarHBondContact O-N 2.93Å; L1262-A1272 HydrophobicContact CB-CB 3.77Å; L1262-A1272 HydrophobicContact CD1-CB 4.22Å; L1262-T1275 HydrophobicContact CD1-CG2 3.82Å; L1262-F1280 HydrophobicContact CD2-CD1 4.18Å; L1262-F1280 HydrophobicContact CD2-CD2 3.39Å; L1262-F1280 HydrophobicContact CD2-CE1 4.15Å; L1262-F1280 HydrophobicContact CD2-CE2 3.36Å; L1262-F1280 HydrophobicContact CD2-CG 3.81Å; L1262-F1280 HydrophobicContact CD2-CZ 3.75Å
1263E90.5Very high90.2Very high60 Ų6033.3 Ų33.328%0.2819%0.186SC..Hα-helixtrans-63.7-43.4175.8-68.8174.8141.900112R1259 H1260 L1265 G1266 P1269 A1272R1259-E1263 WeakPolarHBondContact O-CG 3.21Å; R1259-E1263 PolarHBondContact O-N 3.01Å; H1260-E1263 IonicContact CE1-OE2 3.29Å; H1260-E1263 IonicContact CG-OE2 2.64Å; H1260-E1263 IonicContact ND1-OE2 3.31Å; H1260-E1263 PolarHBondContact ND1-OE2 3.26Å; H1260-E1263 PolarHBondContact O-N 3.18Å; E1263-L1265 VanDerWaalsContact C-N 3.31Å; E1263-L1265 PolarHBondContact O-N 2.84Å; E1263-G1266 WeakPolarHBondContact O-CA 3.14Å; E1263-G1266 PolarHBondContact O-N 3.11Å; E1263-P1269 WeakPolarHBondContact OE1-CB 3.27Å; E1263-P1269 WeakPolarHBondContact OE1-CG 3.34Å; E1263-A1272 HydrophobicContact CG-CB 4Å
1264Y89.5Confident90.1Very high45 Ų4536.5 Ų36.518%0.17621%0.212CC..Hα-helixtrans-56.8-43.8170.7166.4-128.7000112I953 V958 I1116 H1260 T1261 G1266I953-Y1264 HydrophobicContact CB-CD2 4.48Å; I953-Y1264 HydrophobicContact CD1-CD2 4.48Å; I953-Y1264 HydrophobicContact CD1-CE2 4.47Å; I953-Y1264 HydrophobicContact CG1-CD2 4.21Å; I953-Y1264 HydrophobicContact CG1-CE2 4.24Å; I953-Y1264 HydrophobicContact CG2-CD2 3.61Å; I953-Y1264 HydrophobicContact CG2-CE2 4.45Å; I953-Y1264 HydrophobicContact CG2-CG 3.99Å; V958-Y1264 PolarHBondContact N-O 3.13Å; I1116-Y1264 HydrophobicContact CG1-CD1 4.22Å; I1116-Y1264 HydrophobicContact CG1-CE1 4.05Å; I1116-Y1264 HydrophobicContact CG2-CE1 4.46Å; H1260-Y1264 PolarHBondContact O-N 3.27Å; T1261-Y1264 PolarHBondContact O-N 3Å; Y1264-G1266 PolarHBondContact O-N 2.82Å; Y1264-G1266 VanDerWaalsContact O-N 3.1Å
1265L90.1Very high89.9Confident5 Ų537.2 Ų37.23%0.02622%0.217CC..THydrogen-bonded Turntrans-7511.6174.8-62.3169.4000113.4W959 L1115 L1145 T1261 L1262 E1263 F1280W959-L1265 VanDerWaalsContact CH2-O 3.26Å; W959-L1265 WeakPolarHBondContact CH2-O 3.49Å; W959-L1265 WeakPolarHBondContact CZ2-O 3.43Å; L1115-L1265 HydrophobicContact CD2-CD1 3.72Å; L1115-L1265 HydrophobicContact CG-CD1 4.28Å; L1145-L1265 HydrophobicContact CD1-CB 3.96Å; L1145-L1265 HydrophobicContact CD1-CD1 3.87Å; L1145-L1265 HydrophobicContact CD1-CD2 4.28Å; L1145-L1265 HydrophobicContact CD1-CG 4.26Å; T1261-L1265 HydrophobicContact CG2-CD1 4.17Å; T1261-L1265 WeakPolarHBondContact O-CB 3.48Å; T1261-L1265 WeakPolarHBondContact O-CD1 3.44Å; T1261-L1265 WeakPolarHBondContact O-CG 3.49Å; T1261-L1265 PolarHBondContact O-N 2.79Å; L1262-L1265 CarbonylContact O-C 3.13Å; L1262-L1265 PolarHBondContact O-N 2.87Å; E1263-L1265 VanDerWaalsContact C-N 3.31Å; E1263-L1265 PolarHBondContact O-N 2.84Å; L1265-F1280 HydrophobicContact CD1-CE2 4.28Å; L1265-F1280 HydrophobicContact CD1-CZ 3.65Å
1266G86.1Confident89.9Confident3 Ų338 Ų383%0.03122%0.223CC..THydrogen-bonded Turntrans79.817.916800000115.7W959 L1262 E1263 Y1264W959-G1266 PolarHBondContact NE1-O 2.82Å; L1262-G1266 PolarHBondContact O-N 3.49Å; E1263-G1266 WeakPolarHBondContact O-CA 3.14Å; E1263-G1266 PolarHBondContact O-N 3.11Å; Y1264-G1266 PolarHBondContact O-N 2.82Å; Y1264-G1266 VanDerWaalsContact O-N 3.1Å
1267Y88.9Confident90Very high8 Ų838.7 Ų38.73%0.03123%0.226CC..  trans-72.4144163.7-72.9-114.5000109.3L1145 D1146 L1262 R1271 F1280L1145-Y1267 HydrophobicContact CB-CE2 4.27Å; L1145-Y1267 HydrophobicContact CD1-CE2 4.31Å; L1145-Y1267 HydrophobicContact CG-CE2 4.33Å; L1145-Y1267 PolarHBondContact N-OH 2.7Å; D1146-Y1267 PolarHBondContact OD2-OH 2.89Å; L1262-Y1267 HydrophobicContact CB-CD2 4.41Å; L1262-Y1267 HydrophobicContact CB-CG 4.25Å; L1262-Y1267 HydrophobicContact CD2-CD2 4.49Å; L1262-Y1267 WeakPolarHBondContact O-CB 2.98Å; L1262-Y1267 PolarHBondContact O-N 2.93Å; Y1267-R1271 HydrophobicContact CD1-CB 4.4Å; Y1267-R1271 HydrophobicContact CD1-CG 3.98Å; Y1267-F1280 HydrophobicContact CE2-CE2 4.47Å
1268S87.8Confident90Very high51 Ų5137.5 Ų37.536%0.35723%0.227SC..  trans-70.4151.1170.560.50000110.2A1270 R1271 A1272S1268-A1270 PolarHBondContact O-N 2.76Å; S1268-A1270 VanDerWaalsContact O-N 3.1Å; S1268-R1271 CarbonylContact O-C 3.27Å; S1268-R1271 WeakPolarHBondContact O-CA 3.06Å; S1268-R1271 PolarHBondContact O-N 3.35Å; S1268-A1272 PolarHBondContact O-N 3.17Å
1269P87.3Confident89.9Confident79 Ų7941.7 Ų41.751%0.51324%0.243SC..Hα-helixtrans-54.1-36.9-177.6-2935000113.8E1263 R1271 S1273E1263-P1269 WeakPolarHBondContact OE1-CB 3.27Å; E1263-P1269 WeakPolarHBondContact OE1-CG 3.34Å; P1269-R1271 PolarHBondContact O-N 2.98Å; P1269-S1273 WeakPolarHBondContact O-CB 3.2Å; P1269-S1273 PolarHBondContact O-N 3.01Å; P1269-S1273 PolarHBondContact O-OG 2.58Å
1270A88.2Confident90Very high77 Ų7739.6 Ų39.664%0.63624%0.235SC*.Hα-helixtrans-63.7-38.4174.400000113.1S1268 S1274S1268-A1270 PolarHBondContact O-N 2.76Å; S1268-A1270 VanDerWaalsContact O-N 3.1Å; A1270-S1274 PolarHBondContact O-N 2.84Å
1271R86.8Confident90.1Very high49 Ų4935.9 Ų35.919%0.18522%0.219CC..Hα-helixtrans-82.6-32.8178.4-162.7178.1176.9-163.8-10.6112.2T1144 D1146 Y1267 S1268 P1269 S1273 S1274 T1275T1144-R1271 PolarHBondContact OG1-NH1 2.9Å; D1146-R1271 IonicContact OD1-CZ 3.3Å; D1146-R1271 IonicContact OD1-NH2 2.68Å; D1146-R1271 PolarHBondContact OD1-NH2 3.21Å; D1146-R1271 IonicContact OD2-CZ 3.04Å; D1146-R1271 IonicContact OD2-NH1 2.78Å; D1146-R1271 IonicContact OD2-NH2 2.72Å; D1146-R1271 PolarHBondContact OD2-NH2 3.34Å; Y1267-R1271 HydrophobicContact CD1-CB 4.4Å; Y1267-R1271 HydrophobicContact CD1-CG 3.98Å; S1268-R1271 CarbonylContact O-C 3.27Å; S1268-R1271 WeakPolarHBondContact O-CA 3.06Å; S1268-R1271 PolarHBondContact O-N 3.35Å; P1269-R1271 PolarHBondContact O-N 2.98Å; R1271-S1273 VanDerWaalsContact C-N 3.27Å; R1271-S1273 PolarHBondContact O-N 3.48Å; R1271-S1274 CarbonylContact O-C 3.33Å; R1271-S1274 PolarHBondContact O-N 3.46Å; R1271-S1274 VanDerWaalsContact O-N 3.16Å; R1271-S1274 PolarHBondContact O-OG 2.8Å; R1271-T1275 VanDerWaalsContact O-CB 3.29Å; R1271-T1275 WeakPolarHBondContact O-CB 2.94Å; R1271-T1275 PolarHBondContact O-N 3.05Å; R1271-T1275 VanDerWaalsContact O-N 3.14Å; R1271-T1275 PolarHBondContact O-OG1 2.75Å
1272A88.4Confident90.2Very high1 Ų140 Ų401%0.00823%0.233CC..Hα-helixtrans-59.6-41.4169.200000110.8L1262 E1263 S1268 S1274L1262-A1272 HydrophobicContact CB-CB 3.77Å; L1262-A1272 HydrophobicContact CD1-CB 4.22Å; E1263-A1272 HydrophobicContact CG-CB 4Å; S1268-A1272 PolarHBondContact O-N 3.17Å; A1272-S1274 VanDerWaalsContact C-N 3.29Å; A1272-S1274 PolarHBondContact O-N 3.43Å
1273S87Confident90.2Very high79 Ų7940.4 Ų40.455%0.55224%0.236SC*.THydrogen-bonded Turntrans-70.2-19.4175-55.30000114.3P1269 R1271P1269-S1273 WeakPolarHBondContact O-CB 3.2Å; P1269-S1273 PolarHBondContact O-N 3.01Å; P1269-S1273 PolarHBondContact O-OG 2.58Å; R1271-S1273 VanDerWaalsContact C-N 3.27Å; R1271-S1273 PolarHBondContact O-N 3.48Å
1274S89.7Confident90.4Very high93 Ų9337.6 Ų37.665%0.6522%0.222SC*.THydrogen-bonded Turntrans-106.17.4-178.884.30000113.9A1270 R1271 A1272A1270-S1274 PolarHBondContact O-N 2.84Å; R1271-S1274 CarbonylContact O-C 3.33Å; R1271-S1274 PolarHBondContact O-N 3.46Å; R1271-S1274 VanDerWaalsContact O-N 3.16Å; R1271-S1274 PolarHBondContact O-OG 2.8Å; A1272-S1274 VanDerWaalsContact C-N 3.29Å; A1272-S1274 PolarHBondContact O-N 3.43Å
1275T90.2Very high90.6Very high15 Ų1535.8 Ų35.89%0.09222%0.217CC..  trans-108.7112.1-175-66.10000108.2L1262 R1271 Y1279 F1280L1262-T1275 HydrophobicContact CD1-CG2 3.82Å; R1271-T1275 VanDerWaalsContact O-CB 3.29Å; R1271-T1275 WeakPolarHBondContact O-CB 2.94Å; R1271-T1275 PolarHBondContact O-N 3.05Å; R1271-T1275 VanDerWaalsContact O-N 3.14Å; R1271-T1275 PolarHBondContact O-OG1 2.75Å; T1275-Y1279 HydrophobicContact CG2-CD1 4.23Å; T1275-F1280 HydrophobicContact CG2-CB 4.03Å
1276S91.5Very high90.8Very high50 Ų5038.9 Ų38.935%0.3523%0.231SC..  trans-71.8150.117869.30000111.6G1278 Y1279 F1280S1276-G1278 VanDerWaalsContact C-N 3.31Å; S1276-G1278 PolarHBondContact O-N 3.04Å; S1276-Y1279 PolarHBondContact O-N 3.17Å; S1276-Y1279 WeakPolarHBondContact OG-CB 3.47Å; S1276-Y1279 PolarHBondContact OG-N 3.07Å; S1276-F1280 PolarHBondContact O-N 3.33Å; S1276-F1280 VanDerWaalsContact O-N 3.13Å
1277V93.4Very high91.2Very high15 Ų1538.7 Ų38.79%0.09123%0.23CC..Hα-helixtrans-57-47.1178.2-179.30000110.4L1108 W1196 F1258 Y1279 F1280 C1281L1108-V1277 HydrophobicContact CD1-CG1 3.57Å; L1108-V1277 HydrophobicContact CD2-CG1 4.08Å; L1108-V1277 HydrophobicContact CD2-CG2 4.01Å; L1108-V1277 HydrophobicContact CG-CG1 4.41Å; W1196-V1277 HydrophobicContact CB-CB 4.41Å; W1196-V1277 HydrophobicContact CD2-CB 3.61Å; W1196-V1277 HydrophobicContact CD2-CG1 3.7Å; W1196-V1277 HydrophobicContact CD2-CG2 4.23Å; W1196-V1277 VanDerWaalsContact CE2-CG1 3.43Å; W1196-V1277 HydrophobicContact CE3-CB 4.05Å; W1196-V1277 HydrophobicContact CE3-CG1 4.21Å; W1196-V1277 HydrophobicContact CE3-CG2 4.15Å; W1196-V1277 HydrophobicContact CG-CB 3.73Å; W1196-V1277 HydrophobicContact CG-CG1 4.15Å; W1196-V1277 HydrophobicContact CH2-CG1 4.34Å; W1196-V1277 HydrophobicContact CZ2-CG1 3.8Å; F1258-V1277 HydrophobicContact CD1-CG2 3.66Å; F1258-V1277 HydrophobicContact CD2-CG2 4.29Å; F1258-V1277 HydrophobicContact CE1-CB 4.34Å; F1258-V1277 HydrophobicContact CE1-CG2 3.66Å; F1258-V1277 HydrophobicContact CE2-CG1 4.37Å; F1258-V1277 HydrophobicContact CE2-CG2 4.29Å; F1258-V1277 HydrophobicContact CG-CG2 3.99Å; F1258-V1277 HydrophobicContact CZ-CB 4.25Å; F1258-V1277 HydrophobicContact CZ-CG2 4Å; V1277-Y1279 PolarHBondContact O-N 3.46Å; V1277-F1280 PolarHBondContact O-N 3.49Å; V1277-C1281 WeakPolarHBondContact O-CB 3.07Å; V1277-C1281 PolarHBondContact O-N 3.31Å; V1277-C1281 PolarHBondContact O-SG 2.66Å; V1277-C1281 VanDerWaalsContact O-SG 3.39Å
1278G92.2Very high91.5Very high16 Ų1638.3 Ų38.317%0.16523%0.228CC..Hα-helixtrans-58.6-46.2179.300000113.5W1196 S1276 F1280 R1282W1196-G1278 VanDerWaalsContact CD1-CA 3.47Å; W1196-G1278 VanDerWaalsContact CD1-N 3.29Å; S1276-G1278 VanDerWaalsContact C-N 3.31Å; S1276-G1278 PolarHBondContact O-N 3.04Å; G1278-F1280 PolarHBondContact O-N 3.13Å; G1278-R1282 WeakPolarHBondContact O-CB 3.38Å; G1278-R1282 PolarHBondContact O-N 3.24Å
1279Y92Very high91.8Very high97 Ų9740 Ų4038%0.3823%0.233SC..Hα-helixtrans-61.8-42.8177.4172.2-92.2000112D1146 T1275 S1276 V1277 I1283D1146-Y1279 PolarHBondContact OD1-OH 2.7Å; T1275-Y1279 HydrophobicContact CG2-CD1 4.23Å; S1276-Y1279 PolarHBondContact O-N 3.17Å; S1276-Y1279 WeakPolarHBondContact OG-CB 3.47Å; S1276-Y1279 PolarHBondContact OG-N 3.07Å; V1277-Y1279 PolarHBondContact O-N 3.46Å; Y1279-I1283 HydrophobicContact CD1-CD1 3.83Å; Y1279-I1283 HydrophobicContact CE1-CD1 3.31Å; Y1279-I1283 HydrophobicContact CE2-CD1 4.16Å; Y1279-I1283 HydrophobicContact CG-CD1 4.44Å; Y1279-I1283 WeakPolarHBondContact O-CG1 3.41Å; Y1279-I1283 PolarHBondContact O-N 2.16Å
1280F94Very high92.1Very high3 Ų339.5 Ų39.51%0.01322%0.223CC..Hα-helixtrans-68.3-49.4179.6177.1-99.8000112.9L1115 L1145 F1258 L1262 L1265 Y1267 T1275 S1276 V1277 G1278 R1282 I1283 L1284L1115-F1280 HydrophobicContact CD2-CE1 3.72Å; L1115-F1280 HydrophobicContact CD2-CZ 3.82Å; L1145-F1280 HydrophobicContact CD1-CE2 3.85Å; L1145-F1280 HydrophobicContact CD1-CZ 4.2Å; F1258-F1280 HydrophobicContact CE2-CB 4.49Å; F1258-F1280 AromaticContact CE2-CD1 3.59Å; F1258-F1280 HydrophobicContact CE2-CD1 3.59Å; F1258-F1280 HydrophobicContact CE2-CE1 4.09Å; F1258-F1280 HydrophobicContact CE2-CG 4.21Å; F1258-F1280 HydrophobicContact CZ-CB 3.91Å; F1258-F1280 AromaticContact CZ-CD1 3.85Å; F1258-F1280 HydrophobicContact CZ-CD1 3.85Å; F1258-F1280 AromaticContact CZ-CG 3.98Å; F1258-F1280 HydrophobicContact CZ-CG 3.98Å; L1262-F1280 HydrophobicContact CD2-CD1 4.18Å; L1262-F1280 HydrophobicContact CD2-CD2 3.39Å; L1262-F1280 HydrophobicContact CD2-CE1 4.15Å; L1262-F1280 HydrophobicContact CD2-CE2 3.36Å; L1262-F1280 HydrophobicContact CD2-CG 3.81Å; L1262-F1280 HydrophobicContact CD2-CZ 3.75Å; L1265-F1280 HydrophobicContact CD1-CE2 4.28Å; L1265-F1280 HydrophobicContact CD1-CZ 3.65Å; Y1267-F1280 HydrophobicContact CE2-CE2 4.47Å; T1275-F1280 HydrophobicContact CG2-CB 4.03Å; S1276-F1280 PolarHBondContact O-N 3.33Å; S1276-F1280 VanDerWaalsContact O-N 3.13Å; V1277-F1280 PolarHBondContact O-N 3.49Å; G1278-F1280 PolarHBondContact O-N 3.13Å; F1280-R1282 VanDerWaalsContact C-N 3.28Å; F1280-R1282 PolarHBondContact O-N 3.24Å; F1280-I1283 PolarHBondContact O-N 2.19Å; F1280-L1284 HydrophobicContact CD1-CD1 4.33Å; F1280-L1284 HydrophobicContact CE1-CD1 3.58Å; F1280-L1284 HydrophobicContact CE2-CD1 3.95Å; F1280-L1284 HydrophobicContact CZ-CD1 3.35Å; F1280-L1284 PolarHBondContact O-N 2.18Å
1281C94.3Very high92.4Very high3 Ų335.8 Ų35.82%0.0219%0.193CC..Hα-helixtrans-63.2-35.5177.1-68.60000111.5L1188 C1191 H1192 V1277 L1284 A1285L1188-C1281 HydrophobicContact CG-CB 4.3Å; C1191-C1281 HydrophobicContact CB-CB 4.08Å; H1192-C1281 HydrophobicContact CB-CB 4.22Å; V1277-C1281 WeakPolarHBondContact O-CB 3.07Å; V1277-C1281 PolarHBondContact O-N 3.31Å; V1277-C1281 PolarHBondContact O-SG 2.66Å; V1277-C1281 VanDerWaalsContact O-SG 3.39Å; C1281-L1284 PolarHBondContact O-N 3.15Å; C1281-A1285 WeakPolarHBondContact O-CB 3.43Å; C1281-A1285 PolarHBondContact O-N 2.69Å
1282R93.3Very high92.7Very high90 Ų9035.7 Ų35.734%0.3419%0.193SC..Hα-helixtrans-58.7-52.6173.5-176.8-178.27475.612.6111.9G1278 F1280 L1284 A1285 E1286G1278-R1282 WeakPolarHBondContact O-CB 3.38Å; G1278-R1282 PolarHBondContact O-N 3.24Å; F1280-R1282 VanDerWaalsContact C-N 3.28Å; F1280-R1282 PolarHBondContact O-N 3.24Å; R1282-L1284 VanDerWaalsContact C-N 3.3Å; R1282-L1284 PolarHBondContact O-N 3.45Å; R1282-A1285 PolarHBondContact O-N 2.88Å; R1282-E1286 VanDerWaalsContact CD-OE1 3.3Å; R1282-E1286 WeakPolarHBondContact CD-OE1 3.42Å; R1282-E1286 VanDerWaalsContact CG-CD 3.48Å; R1282-E1286 HydrophobicContact CG-CG 4.16Å; R1282-E1286 WeakPolarHBondContact CG-OE1 2.78Å; R1282-E1286 IonicContact CZ-OE1 2.63Å; R1282-E1286 IonicContact CZ-OE2 2.85Å; R1282-E1286 IonicContact NE-OE1 3.18Å; R1282-E1286 IonicContact NH1-OE1 2.94Å; R1282-E1286 PolarHBondContact NH1-OE1 3.16Å; R1282-E1286 IonicContact NH1-OE2 3.24Å; R1282-E1286 PolarHBondContact NH1-OE2 3.02Å; R1282-E1286 WeakPolarHBondContact O-CB 2.68Å; R1282-E1286 WeakPolarHBondContact O-CG 3.29Å; R1282-E1286 PolarHBondContact O-N 2.64Å
1283I93.3Very high93Very high10 Ų1037.7 Ų37.75%0.05121%0.205CC..Hα-helixtrans-55-46.3179.3-71.3159.4000111.4L1145 D1146 L1148 Y1279 F1280 F1287L1145-I1283 WeakPolarHBondContact O-CG2 3.24Å; D1146-I1283 HydrophobicContact CB-CD1 4.19Å; L1148-I1283 HydrophobicContact CB-CG2 4.33Å; Y1279-I1283 HydrophobicContact CD1-CD1 3.83Å; Y1279-I1283 HydrophobicContact CE1-CD1 3.31Å; Y1279-I1283 HydrophobicContact CE2-CD1 4.16Å; Y1279-I1283 HydrophobicContact CG-CD1 4.44Å; Y1279-I1283 WeakPolarHBondContact O-CG1 3.41Å; Y1279-I1283 PolarHBondContact O-N 2.16Å; F1280-I1283 PolarHBondContact O-N 2.19Å; I1283-F1287 WeakPolarHBondContact O-CB 3.5Å; I1283-F1287 PolarHBondContact O-N 3.21Å
1284L94.3Very high93.3Very high0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-73.9-33.8-177.9-81.1169.1000113L1115 L1121 L1148 L1188 F1280 C1281 R1282 A1288L1115-L1284 HydrophobicContact CD1-CD1 3.88Å; L1115-L1284 HydrophobicContact CD2-CD1 4.23Å; L1121-L1284 HydrophobicContact CD1-CD2 4.29Å; L1121-L1284 HydrophobicContact CD2-CD2 4.37Å; L1148-L1284 HydrophobicContact CD1-CD2 3.51Å; L1188-L1284 HydrophobicContact CD1-CB 3.99Å; L1188-L1284 HydrophobicContact CD1-CD1 3.81Å; L1188-L1284 HydrophobicContact CD2-CB 3.66Å; L1188-L1284 HydrophobicContact CG-CB 4.48Å; F1280-L1284 HydrophobicContact CD1-CD1 4.33Å; F1280-L1284 HydrophobicContact CE1-CD1 3.58Å; F1280-L1284 HydrophobicContact CE2-CD1 3.95Å; F1280-L1284 HydrophobicContact CZ-CD1 3.35Å; F1280-L1284 PolarHBondContact O-N 2.18Å; C1281-L1284 PolarHBondContact O-N 3.15Å; R1282-L1284 VanDerWaalsContact C-N 3.3Å; R1282-L1284 PolarHBondContact O-N 3.45Å; L1284-A1288 WeakPolarHBondContact O-CB 2.78Å; L1284-A1288 PolarHBondContact O-N 3.22Å
1285A94Very high93.5Very high8 Ų832.9 Ų32.97%0.06616%0.162CC..Hα-helixtrans-71.9-45176.500000112.3L1188 H1192 C1281 R1282 A1288 L1289L1188-A1285 HydrophobicContact CD2-CB 4.12Å; H1192-A1285 HydrophobicContact CB-CB 3.98Å; C1281-A1285 WeakPolarHBondContact O-CB 3.43Å; C1281-A1285 PolarHBondContact O-N 2.69Å; R1282-A1285 PolarHBondContact O-N 2.88Å; A1285-A1288 PolarHBondContact O-N 3.42Å; A1285-L1289 PolarHBondContact O-N 2.89Å
1286E93.7Very high93.6Very high69 Ų6935.8 Ų35.832%0.32218%0.175SC..Hα-helixtrans-56.9-53.4172.2-73170.8177.800109.9R1282 A1288 L1289 E1290R1282-E1286 VanDerWaalsContact CD-OE1 3.3Å; R1282-E1286 WeakPolarHBondContact CD-OE1 3.42Å; R1282-E1286 VanDerWaalsContact CG-CD 3.48Å; R1282-E1286 HydrophobicContact CG-CG 4.16Å; R1282-E1286 WeakPolarHBondContact CG-OE1 2.78Å; R1282-E1286 IonicContact CZ-OE1 2.63Å; R1282-E1286 IonicContact CZ-OE2 2.85Å; R1282-E1286 IonicContact NE-OE1 3.18Å; R1282-E1286 IonicContact NH1-OE1 2.94Å; R1282-E1286 PolarHBondContact NH1-OE1 3.16Å; R1282-E1286 IonicContact NH1-OE2 3.24Å; R1282-E1286 PolarHBondContact NH1-OE2 3.02Å; R1282-E1286 WeakPolarHBondContact O-CB 2.68Å; R1282-E1286 WeakPolarHBondContact O-CG 3.29Å; R1282-E1286 PolarHBondContact O-N 2.64Å; E1286-A1288 VanDerWaalsContact C-N 3.33Å; E1286-A1288 PolarHBondContact O-N 3.13Å; E1286-L1289 PolarHBondContact O-N 2.69Å; E1286-E1290 WeakPolarHBondContact O-CG 3.1Å; E1286-E1290 PolarHBondContact O-N 3.31Å
1287F95Very high93.6Very high0 Ų039.8 Ų39.80%019%0.186CC..Hα-helixtrans-58.8-41.4177.4172.4-110.3000113.1I1124 L1148 L1151 L1164 L1181 I1283 L1289 E1290 Y1291I1124-F1287 HydrophobicContact CD1-CE1 4.25Å; I1124-F1287 HydrophobicContact CD1-CZ 4.33Å; I1124-F1287 HydrophobicContact CG2-CE1 3.92Å; I1124-F1287 HydrophobicContact CG2-CZ 3.64Å; L1148-F1287 HydrophobicContact CB-CB 3.87Å; L1148-F1287 HydrophobicContact CB-CD1 4.11Å; L1148-F1287 HydrophobicContact CB-CD2 3.88Å; L1148-F1287 HydrophobicContact CB-CG 3.64Å; L1148-F1287 HydrophobicContact CD1-CD1 3.78Å; L1148-F1287 HydrophobicContact CD1-CE1 4.25Å; L1148-F1287 HydrophobicContact CD1-CG 4.17Å; L1148-F1287 HydrophobicContact CD2-CD1 4.19Å; L1148-F1287 HydrophobicContact CD2-CD2 4.42Å; L1148-F1287 HydrophobicContact CD2-CE1 4.03Å; L1148-F1287 HydrophobicContact CD2-CE2 4.3Å; L1148-F1287 HydrophobicContact CD2-CG 4.38Å; L1148-F1287 HydrophobicContact CD2-CZ 4.12Å; L1148-F1287 HydrophobicContact CG-CD1 4.26Å; L1148-F1287 HydrophobicContact CG-CG 4.28Å; L1148-F1287 WeakPolarHBondContact O-CD2 3.45Å; L1151-F1287 HydrophobicContact CD1-CD2 4.13Å; L1151-F1287 HydrophobicContact CD1-CE2 3.56Å; L1151-F1287 HydrophobicContact CD1-CZ 4.25Å; L1164-F1287 HydrophobicContact CD1-CE2 3.62Å; L1164-F1287 HydrophobicContact CD1-CZ 4.22Å; L1164-F1287 HydrophobicContact CD2-CE2 4.46Å; L1181-F1287 HydrophobicContact CD2-CD1 3.71Å; L1181-F1287 HydrophobicContact CD2-CE1 3.41Å; L1181-F1287 VanDerWaalsContact CD2-CE1 3.41Å; L1181-F1287 HydrophobicContact CD2-CZ 4.45Å; I1283-F1287 WeakPolarHBondContact O-CB 3.5Å; I1283-F1287 PolarHBondContact O-N 3.21Å; F1287-L1289 VanDerWaalsContact C-N 3.34Å; F1287-L1289 PolarHBondContact O-N 2.83Å; F1287-E1290 PolarHBondContact O-N 3.26Å; F1287-Y1291 HydrophobicContact CZ-CD2 4.19Å; F1287-Y1291 HydrophobicContact CZ-CG 4.37Å; F1287-Y1291 VanDerWaalsContact O-CB 3.28Å; F1287-Y1291 WeakPolarHBondContact O-CB 3.47Å; F1287-Y1291 PolarHBondContact O-N 3.27Å
1288A94.7Very high93.5Very high0 Ų039.3 Ų39.30%018%0.183CC..Hα-helixtrans-64.1-39.1179.300000112L1181 H1182 L1284 A1285 E1286 R1292L1181-A1288 HydrophobicContact CB-CB 4.32Å; L1181-A1288 HydrophobicContact CD2-CB 4.07Å; L1181-A1288 HydrophobicContact CG-CB 3.89Å; H1182-A1288 HydrophobicContact CB-CB 4.13Å; L1284-A1288 WeakPolarHBondContact O-CB 2.78Å; L1284-A1288 PolarHBondContact O-N 3.22Å; A1285-A1288 PolarHBondContact O-N 3.42Å; E1286-A1288 VanDerWaalsContact C-N 3.33Å; E1286-A1288 PolarHBondContact O-N 3.13Å; A1288-R1292 VanDerWaalsContact O-CB 3.25Å; A1288-R1292 WeakPolarHBondContact O-CB 3.32Å; A1288-R1292 PolarHBondContact O-N 3.22Å
1289L93.6Very high93.4Very high86 Ų8640.4 Ų40.445%0.4519%0.185SC..Hα-helixtrans-66.3-40.5174.5-174.760000112.3A1285 E1286 F1287 T1293A1285-L1289 PolarHBondContact O-N 2.89Å; E1286-L1289 PolarHBondContact O-N 2.69Å; F1287-L1289 VanDerWaalsContact C-N 3.34Å; F1287-L1289 PolarHBondContact O-N 2.83Å; L1289-T1293 HydrophobicContact CD1-CG2 4.47Å; L1289-T1293 WeakPolarHBondContact O-CG2 3.38Å; L1289-T1293 PolarHBondContact O-N 3.42Å; L1289-T1293 PolarHBondContact O-OG1 2.89Å; L1289-T1293 VanDerWaalsContact O-OG1 3.08Å
1290E93.6Very high93.3Very high68 Ų6839.7 Ų39.732%0.31819%0.185SC..Hα-helixtrans-70.5-39.9176.7-67.4-173.5121.200112.3P1152 L1164 E1286 F1287 T1293 T1294P1152-E1290 HydrophobicContact CG-CB 4.4Å; P1152-E1290 HydrophobicContact CG-CG 4.41Å; P1152-E1290 WeakPolarHBondContact CG-OE1 3.36Å; P1152-E1290 WeakPolarHBondContact CG-OE2 3.49Å; L1164-E1290 HydrophobicContact CD2-CB 3.72Å; E1286-E1290 WeakPolarHBondContact O-CG 3.1Å; E1286-E1290 PolarHBondContact O-N 3.31Å; F1287-E1290 PolarHBondContact O-N 3.26Å; E1290-T1293 PolarHBondContact O-OG1 3.27Å; E1290-T1294 WeakPolarHBondContact O-CB 3.39Å; E1290-T1294 PolarHBondContact O-N 3.04Å; E1290-T1294 PolarHBondContact O-OG1 2.93Å
1291Y95Very high92.9Very high0 Ų040.6 Ų40.60%020%0.195CC..Hα-helixtrans-61.1-48.6173.1179.4-96.5000110.2T1120 I1124 L1164 C1168 V1171 L1181 F1287 T1294 R1295T1120-Y1291 HydrophobicContact CG2-CE1 4.09Å; I1124-Y1291 HydrophobicContact CD1-CD1 3.92Å; I1124-Y1291 HydrophobicContact CD1-CD2 3.65Å; I1124-Y1291 HydrophobicContact CD1-CE1 3.77Å; I1124-Y1291 HydrophobicContact CD1-CE2 3.5Å; I1124-Y1291 HydrophobicContact CD1-CG 3.87Å; I1124-Y1291 HydrophobicContact CG1-CD2 4.13Å; I1124-Y1291 HydrophobicContact CG1-CE2 3.64Å; L1164-Y1291 HydrophobicContact CD1-CD2 3.89Å; C1168-Y1291 HydrophobicContact CB-CD2 4.16Å; C1168-Y1291 HydrophobicContact CB-CE2 3.64Å; V1171-Y1291 WeakPolarHBondContact CG1-OH 3.31Å; L1181-Y1291 HydrophobicContact CB-CD1 3.77Å; L1181-Y1291 HydrophobicContact CB-CE1 4.32Å; F1287-Y1291 HydrophobicContact CZ-CD2 4.19Å; F1287-Y1291 HydrophobicContact CZ-CG 4.37Å; F1287-Y1291 VanDerWaalsContact O-CB 3.28Å; F1287-Y1291 WeakPolarHBondContact O-CB 3.47Å; F1287-Y1291 PolarHBondContact O-N 3.27Å; Y1291-T1294 PolarHBondContact O-N 3.38Å; Y1291-R1295 HydrophobicContact CE1-CB 4.5Å; Y1291-R1295 VanDerWaalsContact O-CB 3.28Å; Y1291-R1295 WeakPolarHBondContact O-CB 3.33Å; Y1291-R1295 PolarHBondContact O-N 2.59Å
1292R94.4Very high92.5Very high47 Ų4744.8 Ų44.818%0.17721%0.21CC..Hα-helixtrans-53.2-59.3175.2179.7-179.4164.8157.46.4111.8D1180 H1182 A1288 T1294 R1295 E1296D1180-R1292 WeakPolarHBondContact OD1-CB 3.3Å; D1180-R1292 VanDerWaalsContact OD1-CG 3.26Å; D1180-R1292 WeakPolarHBondContact OD1-CG 3.48Å; H1182-R1292 HydrophobicContact CB-CB 4.24Å; A1288-R1292 VanDerWaalsContact O-CB 3.25Å; A1288-R1292 WeakPolarHBondContact O-CB 3.32Å; A1288-R1292 PolarHBondContact O-N 3.22Å; R1292-T1294 PolarHBondContact O-N 3.25Å; R1292-R1295 WeakPolarHBondContact O-CB 3.49Å; R1292-R1295 PolarHBondContact O-N 3.01Å; R1292-E1296 HydrophobicContact CG-CG 4.47Å; R1292-E1296 IonicContact CZ-OE1 3.53Å; R1292-E1296 IonicContact NE-OE1 2.92Å; R1292-E1296 PolarHBondContact NE-OE1 3.05Å; R1292-E1296 IonicContact NE-OE2 2.98Å; R1292-E1296 IonicContact NH2-OE1 3.57Å; R1292-E1296 PolarHBondContact NH2-OE1 3.31Å; R1292-E1296 WeakPolarHBondContact O-CG 3.01Å; R1292-E1296 PolarHBondContact O-N 3.24Å
1293T93.4Very high92Very high43 Ų4343.4 Ų43.426%0.26421%0.207SC..Hα-helixtrans-67.1-22.8-176.260.10000112.6L1289 E1290 K1297L1289-T1293 HydrophobicContact CD1-CG2 4.47Å; L1289-T1293 WeakPolarHBondContact O-CG2 3.38Å; L1289-T1293 PolarHBondContact O-N 3.42Å; L1289-T1293 PolarHBondContact O-OG1 2.89Å; L1289-T1293 VanDerWaalsContact O-OG1 3.08Å; E1290-T1293 PolarHBondContact O-OG1 3.27Å; T1293-K1297 WeakPolarHBondContact O-CB 3.4Å; T1293-K1297 WeakPolarHBondContact O-CD 3.39Å; T1293-K1297 WeakPolarHBondContact O-CE 3.2Å; T1293-K1297 WeakPolarHBondContact O-CG 3.34Å; T1293-K1297 PolarHBondContact O-N 2.83Å
1294T94Very high91.5Very high18 Ų1848.9 Ų48.911%0.1123%0.231CC..Hα-helixtrans-77.3-39.9171.1-58.30000111.7L1164 H1165 C1168 E1290 Y1291 R1292 K1297 I1298L1164-T1294 HydrophobicContact CG-CG2 4.15Å; H1165-T1294 HydrophobicContact CB-CG2 4.07Å; C1168-T1294 HydrophobicContact CB-CG2 4.37Å; E1290-T1294 WeakPolarHBondContact O-CB 3.39Å; E1290-T1294 PolarHBondContact O-N 3.04Å; E1290-T1294 PolarHBondContact O-OG1 2.93Å; Y1291-T1294 PolarHBondContact O-N 3.38Å; R1292-T1294 PolarHBondContact O-N 3.25Å; T1294-K1297 PolarHBondContact O-N 2.83Å; T1294-I1298 HydrophobicContact CG2-CD1 3.84Å; T1294-I1298 WeakPolarHBondContact O-CB 3.4Å; T1294-I1298 WeakPolarHBondContact O-CD1 3.37Å; T1294-I1298 VanDerWaalsContact O-CG1 3.26Å; T1294-I1298 WeakPolarHBondContact O-CG1 3.39Å; T1294-I1298 PolarHBondContact O-N 3.21Å
1295R93.8Very high90.8Very high53 Ų5356 Ų5620%0.226%0.262CS..Hα-helixtrans-60.6-49.6174.3-170.9-178.3-179.5-79.62.6111.1C1168 L1172 S1178 T1179 Y1291 R1292 K1297 I1298 I1299C1168-R1295 WeakPolarHBondContact SG-CA 3.12Å; C1168-R1295 WeakPolarHBondContact SG-CB 3.44Å; L1172-R1295 HydrophobicContact CD1-CG 4.22Å; L1172-R1295 HydrophobicContact CD2-CG 4.21Å; S1178-R1295 PolarHBondContact O-NH2 2.95Å; T1179-R1295 PolarHBondContact O-NE 3Å; T1179-R1295 VanDerWaalsContact O-NE 3.1Å; Y1291-R1295 HydrophobicContact CE1-CB 4.5Å; Y1291-R1295 VanDerWaalsContact O-CB 3.28Å; Y1291-R1295 WeakPolarHBondContact O-CB 3.33Å; Y1291-R1295 PolarHBondContact O-N 2.59Å; R1292-R1295 WeakPolarHBondContact O-CB 3.49Å; R1292-R1295 PolarHBondContact O-N 3.01Å; R1295-K1297 PolarHBondContact O-N 3.35Å; R1295-I1298 PolarHBondContact O-N 3.26Å; R1295-I1299 HydrophobicContact CG-CD1 3.96Å; R1295-I1299 WeakPolarHBondContact O-CB 3.25Å; R1295-I1299 VanDerWaalsContact O-CG1 3.32Å; R1295-I1299 WeakPolarHBondContact O-CG1 3.33Å; R1295-I1299 PolarHBondContact O-N 3.46Å
1296E92.6Very high90Very high76 Ų7657.6 Ų57.636%0.35528%0.275SS..Hα-helixtrans-56.4-49.9174.9-70166.4159.700110.7R1292 I1298 I1299 E1300R1292-E1296 HydrophobicContact CG-CG 4.47Å; R1292-E1296 IonicContact CZ-OE1 3.53Å; R1292-E1296 IonicContact NE-OE1 2.92Å; R1292-E1296 PolarHBondContact NE-OE1 3.05Å; R1292-E1296 IonicContact NE-OE2 2.98Å; R1292-E1296 IonicContact NH2-OE1 3.57Å; R1292-E1296 PolarHBondContact NH2-OE1 3.31Å; R1292-E1296 WeakPolarHBondContact O-CG 3.01Å; R1292-E1296 PolarHBondContact O-N 3.24Å; E1296-I1298 VanDerWaalsContact C-N 3.34Å; E1296-I1298 PolarHBondContact O-N 2.81Å; E1296-I1299 PolarHBondContact O-N 2.93Å; E1296-E1300 WeakPolarHBondContact O-CB 3.38Å; E1296-E1300 PolarHBondContact O-N 3.1Å
1297K92.1Very high89.1Confident133 Ų13359.2 Ų59.258%0.57829%0.286SS*.Hα-helixtrans-62.7-33.3176.2-72164.3-163.8154.50114T1293 T1294 R1295 G1301T1293-K1297 WeakPolarHBondContact O-CB 3.4Å; T1293-K1297 WeakPolarHBondContact O-CD 3.39Å; T1293-K1297 WeakPolarHBondContact O-CE 3.2Å; T1293-K1297 WeakPolarHBondContact O-CG 3.34Å; T1293-K1297 PolarHBondContact O-N 2.83Å; T1294-K1297 PolarHBondContact O-N 2.83Å; R1295-K1297 PolarHBondContact O-N 3.35Å; K1297-G1301 WeakPolarHBondContact O-CA 3.48Å; K1297-G1301 PolarHBondContact O-N 3.48Å
1298I91.5Very high88.1Confident6 Ų661.6 Ų61.63%0.03131%0.305CS..Hα-helixtrans-72.1-43.8175.3-72.3160.5000110.6H1165 C1168 L1172 T1294 R1295 E1296 G1301 R1302H1165-I1298 WeakPolarHBondContact ND1-CG1 3.42Å; H1165-I1298 WeakPolarHBondContact O-CD1 3.44Å; C1168-I1298 HydrophobicContact CB-CD1 3.62Å; L1172-I1298 HydrophobicContact CD1-CB 4.19Å; L1172-I1298 HydrophobicContact CD1-CG2 3.64Å; T1294-I1298 HydrophobicContact CG2-CD1 3.84Å; T1294-I1298 WeakPolarHBondContact O-CB 3.4Å; T1294-I1298 WeakPolarHBondContact O-CD1 3.37Å; T1294-I1298 VanDerWaalsContact O-CG1 3.26Å; T1294-I1298 WeakPolarHBondContact O-CG1 3.39Å; T1294-I1298 PolarHBondContact O-N 3.21Å; R1295-I1298 PolarHBondContact O-N 3.26Å; E1296-I1298 VanDerWaalsContact C-N 3.34Å; E1296-I1298 PolarHBondContact O-N 2.81Å; I1298-G1301 CarbonylContact O-C 3.53Å; I1298-G1301 PolarHBondContact O-N 3.36Å; I1298-R1302 HydrophobicContact CG2-CG 4.29Å; I1298-R1302 VanDerWaalsContact CG2-NE 3.26Å; I1298-R1302 WeakPolarHBondContact O-CB 3.49Å; I1298-R1302 WeakPolarHBondContact O-CG 3.36Å; I1298-R1302 PolarHBondContact O-N 3.3Å
1299I90Very high87.2Confident39 Ų3970.3 Ų70.320%0.234%0.338CS..Hα-helixtrans-62.9-52.3177.6-69.3168.3000109.4L1172 R1295 E1296 G1301 R1302 E1303L1172-I1299 HydrophobicContact CD1-CG1 4.12Å; L1172-I1299 HydrophobicContact CD2-CD1 4.36Å; R1295-I1299 HydrophobicContact CG-CD1 3.96Å; R1295-I1299 WeakPolarHBondContact O-CB 3.25Å; R1295-I1299 VanDerWaalsContact O-CG1 3.32Å; R1295-I1299 WeakPolarHBondContact O-CG1 3.33Å; R1295-I1299 PolarHBondContact O-N 3.46Å; E1296-I1299 PolarHBondContact O-N 2.93Å; I1299-G1301 VanDerWaalsContact C-N 3.27Å; I1299-G1301 PolarHBondContact O-N 3.16Å; I1299-R1302 CarbonylContact O-C 3.53Å; I1299-R1302 WeakPolarHBondContact O-CA 3.31Å; I1299-R1302 WeakPolarHBondContact O-CB 3.45Å; I1299-R1302 PolarHBondContact O-N 2.82Å; I1299-E1303 HydrophobicContact CG2-CG 4.42Å; I1299-E1303 WeakPolarHBondContact CG2-OE1 3.25Å; I1299-E1303 WeakPolarHBondContact O-CB 3.47Å; I1299-E1303 WeakPolarHBondContact O-CG 3.45Å; I1299-E1303 PolarHBondContact O-N 2.75Å
1300E88.6Confident86Confident82 Ų8267.3 Ų67.338%0.38332%0.322SS..Hα-helixtrans-55.7-41.2171.7-79.6-170.6-138.400112.7E1296 R1302 E1303 K1304E1296-E1300 WeakPolarHBondContact O-CB 3.38Å; E1296-E1300 PolarHBondContact O-N 3.1Å; E1300-R1302 VanDerWaalsContact C-N 3.29Å; E1300-R1302 PolarHBondContact O-N 3.44Å; E1300-E1303 PolarHBondContact O-N 2.77Å; E1300-K1304 VanDerWaalsContact O-CB 3.22Å; E1300-K1304 WeakPolarHBondContact O-CB 3.03Å; E1300-K1304 WeakPolarHBondContact O-CD 3.03Å; E1300-K1304 WeakPolarHBondContact O-CG 3.46Å; E1300-K1304 PolarHBondContact O-N 3.48Å; E1300-K1304 IonicContact OE2-NZ 3.97Å; E1300-K1304 PolarHBondContact OE2-NZ 3.45Å
1301G85.3Confident84.8Confident22 Ų2270.2 Ų70.223%0.22733%0.33CS..Hα-helixtrans-67.4-30178.600000113K1297 I1298 I1299 K1305K1297-G1301 WeakPolarHBondContact O-CA 3.48Å; K1297-G1301 PolarHBondContact O-N 3.48Å; I1298-G1301 CarbonylContact O-C 3.53Å; I1298-G1301 PolarHBondContact O-N 3.36Å; I1299-G1301 VanDerWaalsContact C-N 3.27Å; I1299-G1301 PolarHBondContact O-N 3.16Å; G1301-K1305 VanDerWaalsContact O-CB 3.31Å; G1301-K1305 WeakPolarHBondContact O-CB 2.98Å; G1301-K1305 VanDerWaalsContact O-CD 3.22Å; G1301-K1305 WeakPolarHBondContact O-CD 3.11Å; G1301-K1305 WeakPolarHBondContact O-CG 3.15Å; G1301-K1305 PolarHBondContact O-N 3.31Å
1302R87.1Confident83.7Confident91 Ų9175.3 Ų75.334%0.34335%0.352SS..Hα-helixtrans-77.5-46.6172.7-73.6168179.8-128.4-7.2110.4S1169 D1173 I1298 I1299 E1300 K1305 A1306S1169-R1302 PolarHBondContact O-NH2 3.34Å; D1173-R1302 IonicContact OD1-CZ 2.73Å; D1173-R1302 VanDerWaalsContact OD1-CZ 3.24Å; D1173-R1302 IonicContact OD1-NH1 3.52Å; D1173-R1302 PolarHBondContact OD1-NH1 2.84Å; D1173-R1302 IonicContact OD1-NH2 2.69Å; D1173-R1302 PolarHBondContact OD1-NH2 3.37Å; D1173-R1302 IonicContact OD2-CZ 2.63Å; D1173-R1302 IonicContact OD2-NH2 3.63Å; D1173-R1302 PolarHBondContact OD2-NH2 3.01Å; I1298-R1302 HydrophobicContact CG2-CG 4.29Å; I1298-R1302 VanDerWaalsContact CG2-NE 3.26Å; I1298-R1302 WeakPolarHBondContact O-CB 3.49Å; I1298-R1302 WeakPolarHBondContact O-CG 3.36Å; I1298-R1302 PolarHBondContact O-N 3.3Å; I1299-R1302 CarbonylContact O-C 3.53Å; I1299-R1302 WeakPolarHBondContact O-CA 3.31Å; I1299-R1302 WeakPolarHBondContact O-CB 3.45Å; I1299-R1302 PolarHBondContact O-N 2.82Å; E1300-R1302 VanDerWaalsContact C-N 3.29Å; E1300-R1302 PolarHBondContact O-N 3.44Å; R1302-K1305 CarbonylContact O-C 3.52Å; R1302-K1305 PolarHBondContact O-N 3.06Å; R1302-A1306 VanDerWaalsContact O-CB 3.27Å; R1302-A1306 WeakPolarHBondContact O-CB 3.36Å; R1302-A1306 PolarHBondContact O-N 3.06Å
1303E82.9Confident82.5Confident60 Ų6080.2 Ų80.228%0.2837%0.37SS..Hα-helixtrans-54.2-56.2171.9-75.6177.2-157.700110.7I1299 E1300 K1305 A1306 L1307 K1451I1299-E1303 HydrophobicContact CG2-CG 4.42Å; I1299-E1303 WeakPolarHBondContact CG2-OE1 3.25Å; I1299-E1303 WeakPolarHBondContact O-CB 3.47Å; I1299-E1303 WeakPolarHBondContact O-CG 3.45Å; I1299-E1303 PolarHBondContact O-N 2.75Å; E1300-E1303 PolarHBondContact O-N 2.77Å; E1303-K1305 PolarHBondContact O-N 3.37Å; E1303-A1306 CarbonylContact O-C 3.34Å; E1303-A1306 WeakPolarHBondContact O-CA 3.35Å; E1303-A1306 PolarHBondContact O-N 2.86Å; E1303-L1307 WeakPolarHBondContact O-CB 3.31Å; E1303-L1307 WeakPolarHBondContact O-CG 3.37Å; E1303-L1307 PolarHBondContact O-N 3.47Å; E1303-K1451 IonicContact OE1-NZ 2.74Å; E1303-K1451 IonicContact OE2-NZ 3.17Å; E1303-K1451 PolarHBondContact OE2-NZ 3.35Å
1304K81.9Confident80.7Confident126 Ų12680.3 Ų80.355%0.54837%0.371SS..Hα-helixtrans-60.2-32.5179.2-70.7162.7-179.5170.70111.7E1300 A1308E1300-K1304 VanDerWaalsContact O-CB 3.22Å; E1300-K1304 WeakPolarHBondContact O-CB 3.03Å; E1300-K1304 WeakPolarHBondContact O-CD 3.03Å; E1300-K1304 WeakPolarHBondContact O-CG 3.46Å; E1300-K1304 PolarHBondContact O-N 3.48Å; E1300-K1304 IonicContact OE2-NZ 3.97Å; E1300-K1304 PolarHBondContact OE2-NZ 3.45Å; K1304-A1308 WeakPolarHBondContact O-CB 2.83Å; K1304-A1308 PolarHBondContact O-N 3.42Å
1305K80.1Confident78.1Confident150 Ų15087.6 Ų87.665%0.65240%0.397SS*.Hα-helixtrans-79.1-25.6171.5-72.8169.4-167.5164.40113.7G1301 R1302 E1303 A1308 R1309G1301-K1305 VanDerWaalsContact O-CB 3.31Å; G1301-K1305 WeakPolarHBondContact O-CB 2.98Å; G1301-K1305 VanDerWaalsContact O-CD 3.22Å; G1301-K1305 WeakPolarHBondContact O-CD 3.11Å; G1301-K1305 WeakPolarHBondContact O-CG 3.15Å; G1301-K1305 PolarHBondContact O-N 3.31Å; R1302-K1305 CarbonylContact O-C 3.52Å; R1302-K1305 PolarHBondContact O-N 3.06Å; E1303-K1305 PolarHBondContact O-N 3.37Å; K1305-A1308 CarbonylContact O-C 3.24Å; K1305-R1309 WeakPolarHBondContact O-CA 3.4Å; K1305-R1309 VanDerWaalsContact O-CB 3.29Å; K1305-R1309 WeakPolarHBondContact O-CB 3.42Å; K1305-R1309 WeakPolarHBondContact O-CD 3.38Å; K1305-R1309 WeakPolarHBondContact O-CG 3.3Å; K1305-R1309 PolarHBondContact O-N 3.42Å
1306A76.4Confident75.4Confident41 Ų4188.1 Ų88.134%0.33942%0.418SS..Hα-helixtrans-79.9-41.3175.200000111.4R1302 E1303 R1309 H1422R1302-A1306 VanDerWaalsContact O-CB 3.27Å; R1302-A1306 WeakPolarHBondContact O-CB 3.36Å; R1302-A1306 PolarHBondContact O-N 3.06Å; E1303-A1306 CarbonylContact O-C 3.34Å; E1303-A1306 WeakPolarHBondContact O-CA 3.35Å; E1303-A1306 PolarHBondContact O-N 2.86Å; A1306-R1309 WeakPolarHBondContact O-CB 3.19Å; A1306-R1309 PolarHBondContact O-N 3.24Å; A1306-H1422 PolarHBondContact O-CE1 2.96Å; A1306-H1422 PolarHBondContact O-ND1 3.43Å
1307L75.8Confident73Confident103 Ų10392 Ų9254%0.53943%0.434SS..Hα-helixtrans-62-42.9165.1-68.4173.4000110.5E1303 S1421 H1422E1303-L1307 WeakPolarHBondContact O-CB 3.31Å; E1303-L1307 WeakPolarHBondContact O-CG 3.37Å; E1303-L1307 PolarHBondContact O-N 3.47Å; L1307-S1421 CarbonylContact O-C 3.47Å; L1307-H1422 VanDerWaalsContact C-ND1 3.3Å; L1307-H1422 WeakPolarHBondContact O-CA 3.45Å; L1307-H1422 WeakPolarHBondContact O-CB 2.69Å; L1307-H1422 PolarHBondContact O-N 2.98Å; L1307-H1422 PolarHBondContact O-ND1 3.41Å
1308A74.4Confident70.2Confident50 Ų5092.6 Ų92.641%0.41344%0.443SS..Hα-helixtrans-81.4-9.1174.500000115.6K1304 K1305 K1312 H1422K1304-A1308 WeakPolarHBondContact O-CB 2.83Å; K1304-A1308 PolarHBondContact O-N 3.42Å; K1305-A1308 CarbonylContact O-C 3.24Å; A1308-K1312 PolarHBondContact O-NZ 3.07Å; A1308-H1422 VanDerWaalsContact C-CG 3.45Å; A1308-H1422 WeakPolarHBondContact O-CB 3.42Å
1309R74.6Confident67.7Low182 Ų18298.7 Ų98.769%0.68747%0.474SS*.  trans-54.70162.1-82.8151.4143.1-169.4-0.5115.3K1305 A1306 H1422K1305-R1309 WeakPolarHBondContact O-CA 3.4Å; K1305-R1309 VanDerWaalsContact O-CB 3.29Å; K1305-R1309 WeakPolarHBondContact O-CB 3.42Å; K1305-R1309 WeakPolarHBondContact O-CD 3.38Å; K1305-R1309 WeakPolarHBondContact O-CG 3.3Å; K1305-R1309 PolarHBondContact O-N 3.42Å; A1306-R1309 WeakPolarHBondContact O-CB 3.19Å; A1306-R1309 PolarHBondContact O-N 3.24Å; R1309-H1422 VanDerWaalsContact C-CB 3.5Å; R1309-H1422 WeakPolarHBondContact CA-CE1 3.31Å; R1309-H1422 WeakPolarHBondContact CA-ND1 3.48Å; R1309-H1422 WeakPolarHBondContact CA-NE2 3.36Å; R1309-H1422 WeakPolarHBondContact CB-CE1 3.33Å; R1309-H1422 WeakPolarHBondContact CB-ND1 3.42Å; R1309-H1422 PolarHBondContact N-ND1 2.79Å; R1309-H1422 PolarHBondContact O-CD2 2.92Å; R1309-H1422 PolarHBondContact O-CE1 3.47Å; R1309-H1422 PolarHBondContact O-ND1 2.79Å; R1309-H1422 PolarHBondContact O-NE2 2.95Å
1310E68.7Low65Low23 Ų23101.9 Ų101.911%0.10750%0.495CS..  0-30.30-166.971.4-176.900117.9K1312 R1313 T1314 N1420 H1422E1310-K1312 PolarHBondContact O-N 2.95Å; E1310-R1313 HydrophobicContact CG-CB 4.45Å; E1310-R1313 CarbonylContact O-C 3.32Å; E1310-R1313 VanDerWaalsContact O-C 3.24Å; E1310-R1313 WeakPolarHBondContact O-CA 3.48Å; E1310-R1313 WeakPolarHBondContact O-CB 3.45Å; E1310-R1313 PolarHBondContact O-N 3.42Å; E1310-R1313 IonicContact OE1-CZ 3.63Å; E1310-R1313 VanDerWaalsContact OE1-CZ 3.23Å; E1310-R1313 IonicContact OE1-NE 2.79Å; E1310-R1313 PolarHBondContact OE1-NE 2.97Å; E1310-R1313 IonicContact OE1-NH2 3.48Å; E1310-R1313 PolarHBondContact OE1-NH2 3.37Å; E1310-R1313 WeakPolarHBondContact OE2-CB 3.18Å; E1310-R1313 VanDerWaalsContact OE2-CD 3.31Å; E1310-R1313 WeakPolarHBondContact OE2-CD 3.34Å; E1310-R1313 IonicContact OE2-CZ 2.82Å; E1310-R1313 IonicContact OE2-NE 3.99Å; E1310-R1313 PolarHBondContact OE2-NE 2.93Å; E1310-R1313 IonicContact OE2-NH2 2.7Å; E1310-R1313 PolarHBondContact OE2-NH2 2.85Å; E1310-T1314 HydrophobicContact CG-CG2 3.53Å; E1310-T1314 PolarHBondContact O-N 3.32Å; E1310-T1314 PolarHBondContact O-OG1 2.98Å; E1310-T1314 VanDerWaalsContact O-OG1 3.07Å; E1310-T1314 WeakPolarHBondContact OE1-CG2 3.43Å; E1310-N1420 HydrophobicContact CB-CB 4.2Å; E1310-N1420 HydrophobicContact CG-CB 3.97Å; E1310-N1420 VanDerWaalsContact CG-OD1 3.31Å; E1310-N1420 WeakPolarHBondContact CG-OD1 3.37Å; E1310-H1422 VanDerWaalsContact C-CG 3.48Å; E1310-H1422 WeakPolarHBondContact CA-CD2 3.23Å; E1310-H1422 WeakPolarHBondContact CA-CE1 3.39Å; E1310-H1422 WeakPolarHBondContact CA-NE2 3.42Å; E1310-H1422 PolarHBondContact N-CD2 3.05Å; E1310-H1422 PolarHBondContact N-CE1 2.81Å; E1310-H1422 PolarHBondContact N-ND1 2.58Å; E1310-H1422 PolarHBondContact N-NE2 3.46Å; E1310-H1422 PolarHBondContact O-CD2 3.42Å; E1310-H1422 IonicContact OE2-NE2 3.9Å
1311R67.6Low62.3Low129 Ų129105.1 Ų105.149%0.48752%0.515SS..Hα-helixtrans-66.5-31.7175.6-58.1-167.2-176.9166.61.1113.5R1313 T1314 R1315 S1421 H1422R1311-R1313 PolarHBondContact O-N 3.21Å; R1311-T1314 WeakPolarHBondContact CA-OG1 3.22Å; R1311-T1314 PolarHBondContact O-N 3.03Å; R1311-R1315 HydrophobicContact CB-CB 3.98Å; R1311-R1315 VanDerWaalsContact O-CA 3.3Å; R1311-R1315 WeakPolarHBondContact O-CA 3.31Å; R1311-R1315 WeakPolarHBondContact O-CB 3.2Å; R1311-R1315 PolarHBondContact O-N 3.45Å; R1311-S1421 WeakPolarHBondContact CG-OG 3.14Å; R1311-S1421 PolarHBondContact NE-OG 2.6Å; R1311-H1422 HydrophobicContact CB-CB 4.2Å; R1311-H1422 WeakPolarHBondContact CB-O 3.47Å; R1311-H1422 WeakPolarHBondContact CD-O 3.44Å; R1311-H1422 WeakPolarHBondContact CG-O 3.4Å; R1311-H1422 PolarHBondContact N-CD2 3.08Å
1312K73.1Confident59.7Low107 Ų107110.6 Ų110.647%0.46554%0.544SS..Hα-helixtrans-56.3-18.8163.3-48.4-179.3177.553.40113.7A1308 E1310 H1422 G1423 A1424A1308-K1312 PolarHBondContact O-NZ 3.07Å; E1310-K1312 PolarHBondContact O-N 2.95Å; K1312-H1422 HydrophobicContact CG-CB 4.37Å; K1312-H1422 PolarHBondContact N-CD2 2.73Å; K1312-G1423 WeakPolarHBondContact CG-O 3.36Å; K1312-G1423 PolarHBondContact NZ-O 2.79Å; K1312-A1424 WeakPolarHBondContact CE-O 3.22Å
1313R68.5Low57Low151 Ų151111.4 Ų111.457%0.5756%0.559SS**Hα-helixtrans-102.8-33.3176.7-138.417972.9144.8-4.5113.6E1310 R1311 K1317E1310-R1313 HydrophobicContact CG-CB 4.45Å; E1310-R1313 CarbonylContact O-C 3.32Å; E1310-R1313 VanDerWaalsContact O-C 3.24Å; E1310-R1313 WeakPolarHBondContact O-CA 3.48Å; E1310-R1313 WeakPolarHBondContact O-CB 3.45Å; E1310-R1313 PolarHBondContact O-N 3.42Å; E1310-R1313 IonicContact OE1-CZ 3.63Å; E1310-R1313 VanDerWaalsContact OE1-CZ 3.23Å; E1310-R1313 IonicContact OE1-NE 2.79Å; E1310-R1313 PolarHBondContact OE1-NE 2.97Å; E1310-R1313 IonicContact OE1-NH2 3.48Å; E1310-R1313 PolarHBondContact OE1-NH2 3.37Å; E1310-R1313 WeakPolarHBondContact OE2-CB 3.18Å; E1310-R1313 VanDerWaalsContact OE2-CD 3.31Å; E1310-R1313 WeakPolarHBondContact OE2-CD 3.34Å; E1310-R1313 IonicContact OE2-CZ 2.82Å; E1310-R1313 IonicContact OE2-NE 3.99Å; E1310-R1313 PolarHBondContact OE2-NE 2.93Å; E1310-R1313 IonicContact OE2-NH2 2.7Å; E1310-R1313 PolarHBondContact OE2-NH2 2.85Å; R1311-R1313 PolarHBondContact O-N 3.21Å; R1313-K1317 WeakPolarHBondContact O-CD 3.25Å; R1313-K1317 WeakPolarHBondContact O-CG 3.43Å
1314T56.9Low54.5Low45 Ų45111.4 Ų111.428%0.27658%0.575SS.*Hα-helixtrans-103.1-37.2-177.850.90000114.4E1310 R1311 G1316 K1317 L1318E1310-T1314 HydrophobicContact CG-CG2 3.53Å; E1310-T1314 PolarHBondContact O-N 3.32Å; E1310-T1314 PolarHBondContact O-OG1 2.98Å; E1310-T1314 VanDerWaalsContact O-OG1 3.07Å; E1310-T1314 WeakPolarHBondContact OE1-CG2 3.43Å; R1311-T1314 WeakPolarHBondContact CA-OG1 3.22Å; R1311-T1314 PolarHBondContact O-N 3.03Å; T1314-G1316 PolarHBondContact O-N 3.38Å; T1314-K1317 PolarHBondContact O-N 2.94Å; T1314-L1318 PolarHBondContact O-N 2.76Å
1315R38.2Very low52Low171 Ų171113.8 Ų113.865%0.64559%0.593SS**THydrogen-bonded Turntrans-63.6-7.4167.5-170.3178.6167.2141-0.2112.3R1311R1311-R1315 HydrophobicContact CB-CB 3.98Å; R1311-R1315 VanDerWaalsContact O-CA 3.3Å; R1311-R1315 WeakPolarHBondContact O-CA 3.31Å; R1311-R1315 WeakPolarHBondContact O-CB 3.2Å; R1311-R1315 PolarHBondContact O-N 3.45Å
1316G38.3Very low49.4Very low63 Ų63116.2 Ų116.265%0.64960%0.598SS**THydrogen-bonded Turntrans-108.76.2170.300000115.4T1314T1314-G1316 PolarHBondContact O-N 3.38Å
1317K40.2Very low47.2Very low158 Ų158120.5 Ų120.569%0.68762%0.615SS**THydrogen-bonded Turntrans-131.1-7.7-173.9-80-169.4173.9-169.90116.7R1313 T1314R1313-K1317 WeakPolarHBondContact O-CD 3.25Å; R1313-K1317 WeakPolarHBondContact O-CG 3.43Å; T1314-K1317 PolarHBondContact O-N 2.94Å
1318L34.9Very low45Very low146 Ų146120.2 Ų120.276%0.76463%0.628SS**SBendtrans-107.615.6179.2-118.681.4000114.6T1314T1314-L1318 PolarHBondContact O-N 2.76Å
1319I37.9Very low42.9Very low133 Ų133122.9 Ų122.968%0.68264%0.641SS**SBendtrans-11640.4-176.1-40.1-177.4000110.8
1320V33.1Very low40.7Very low107 Ų107118.9 Ų118.965%0.64863%0.633SS**SBendtrans-139.8148.3165.2-170.80000105.7V1322V1320-V1322 PolarHBondContact O-N 2.82Å
1321D31.6Very low39.1Very low149 Ų149125 Ų12580%0.79767%0.667SS**SBendtrans737.3178.5-59.2-21.2000119.1
1322V31.7Very low37.6Very low138 Ų138126.2 Ų126.284%0.83668%0.682SS**  trans-113.530.6153.8-1590000111.5V1320V1320-V1322 PolarHBondContact O-N 2.82Å
1323T29.7Very low36Very low107 Ų107123.5 Ų123.566%0.65667%0.674SS**  trans-99.620.1178480000113.4
1324G30.7Very low34.6Very low60 Ų60122.2 Ų122.262%0.61967%0.674SS**SBendtrans-89.9-24.8-175.300000116.4
1325L29Very low33.9Very low177 Ų177124.8 Ų124.893%0.92769%0.694SS**SBendtrans-139.863.3-173.9-64.3174.3000109.3
1326R26.6Very low34.4Very low200 Ų200122.4 Ų122.476%0.75569%0.689SS**  68.3114.858.4-175.9174.7175.7178.91.2113.7
1327N29.9Very low34.6Very low132 Ų132122.5 Ų122.571%0.70667%0.674SS**  trans73.5100.4-178-36.9-41.3000112.3
1328A30.3Very low34.6Very low97 Ų97120.4 Ų120.480%0.80267%0.67SS**  cis74.914949.300000113.9
1329P30.2Very low35.8Very low106 Ų106116 Ų11669%0.68866%0.656SS**  cis-144.8107.97.136.4-12.8000116.6
1330N28.3Very low36.6Very low97 Ų97114 Ų11452%0.51964%0.643SS.*  trans-117-2.8179.2-93.225.3000117.6L1332 V1333 Q1334N1330-L1332 PolarHBondContact O-N 2.7Å; N1330-V1333 HydrophobicContact CB-CB 4.33Å; N1330-V1333 WeakPolarHBondContact O-CA 3.38Å; N1330-V1333 WeakPolarHBondContact O-CB 3.25Å; N1330-V1333 PolarHBondContact O-N 2.72Å; N1330-Q1334 PolarHBondContact O-N 3.08Å
1331D34.3Very low36.9Very low153 Ų153113.5 Ų113.582%0.81864%0.636SS**THydrogen-bonded Turntrans-67.9-6.4-178.7-62.4-68.4000115.6
1332L36.3Very low37.7Very low154 Ų154115.5 Ų115.581%0.80663%0.632SS**THydrogen-bonded Turntrans-103-8.5167-98.576.1000113.1N1330N1330-L1332 PolarHBondContact O-N 2.7Å
1333V40.3Very low38.9Very low50 Ų50114.9 Ų114.930%0.30363%0.625SS.*THydrogen-bonded Turntrans-89-50-174.7-179.10000109.1N1330 S1335 K1336 D1337N1330-V1333 HydrophobicContact CB-CB 4.33Å; N1330-V1333 WeakPolarHBondContact O-CA 3.38Å; N1330-V1333 WeakPolarHBondContact O-CB 3.25Å; N1330-V1333 PolarHBondContact O-N 2.72Å; V1333-S1335 VanDerWaalsContact C-N 3.34Å; V1333-S1335 PolarHBondContact O-N 2.95Å; V1333-K1336 CarbonylContact O-C 3.06Å; V1333-K1336 VanDerWaalsContact O-CA 3.31Å; V1333-K1336 WeakPolarHBondContact O-CA 3.36Å; V1333-K1336 VanDerWaalsContact O-CB 3.32Å; V1333-K1336 WeakPolarHBondContact O-CB 3.49Å; V1333-K1336 PolarHBondContact O-N 3.48Å; V1333-D1337 WeakPolarHBondContact CG1-OD1 3.37Å; V1333-D1337 WeakPolarHBondContact CG1-OD2 3.41Å; V1333-D1337 VanDerWaalsContact O-CG 3.31Å; V1333-D1337 PolarHBondContact O-N 2.81Å
1334Q38.6Very low39.7Very low124 Ų124115.6 Ų115.658%0.57962%0.624SS**Hα-helixtrans-62.9-32.1-177.9-75166.8-73.800114.9N1330 K1336 D1337 D1338N1330-Q1334 PolarHBondContact O-N 3.08Å; Q1334-K1336 PolarHBondContact O-N 3.17Å; Q1334-D1337 PolarHBondContact O-N 2.89Å; Q1334-D1338 WeakPolarHBondContact O-CB 3.38Å; Q1334-D1338 PolarHBondContact O-N 3.47Å
1335S42Very low40.2Very low99 Ų99119.6 Ų119.669%0.69263%0.63SS**Hα-helixtrans-71.3-13.8172-171.90000113.6V1333V1333-S1335 VanDerWaalsContact C-N 3.34Å; V1333-S1335 PolarHBondContact O-N 2.95Å
1336K49.3Very low41.1Very low121 Ų121117.9 Ų117.953%0.52662%0.621SS.*Hα-helixtrans-100.7-35.1176.4-167.6169.8175.5-68.10111.1V1333 Q1334 A1339 E1340V1333-K1336 CarbonylContact O-C 3.06Å; V1333-K1336 VanDerWaalsContact O-CA 3.31Å; V1333-K1336 WeakPolarHBondContact O-CA 3.36Å; V1333-K1336 VanDerWaalsContact O-CB 3.32Å; V1333-K1336 WeakPolarHBondContact O-CB 3.49Å; V1333-K1336 PolarHBondContact O-N 3.48Å; Q1334-K1336 PolarHBondContact O-N 3.17Å; K1336-A1339 CarbonylContact O-C 2.68Å; K1336-A1339 WeakPolarHBondContact O-CB 3.45Å; K1336-A1339 PolarHBondContact O-N 2.85Å; K1336-A1339 VanDerWaalsContact O-N 3.16Å; K1336-E1340 IonicContact NZ-OE1 3.21Å; K1336-E1340 PolarHBondContact NZ-OE1 2.87Å; K1336-E1340 WeakPolarHBondContact O-CB 3.44Å; K1336-E1340 WeakPolarHBondContact O-CG 3.49Å; K1336-E1340 PolarHBondContact O-N 3.3Å
1337D42.6Very low41.6Very low65 Ų65118.1 Ų118.135%0.34862%0.622SS.*Hα-helixtrans-65.9-39.1170.3-60.5-2.6000110.9V1333 Q1334 A1339 E1340 L1341V1333-D1337 WeakPolarHBondContact CG1-OD1 3.37Å; V1333-D1337 WeakPolarHBondContact CG1-OD2 3.41Å; V1333-D1337 VanDerWaalsContact O-CG 3.31Å; V1333-D1337 PolarHBondContact O-N 2.81Å; Q1334-D1337 PolarHBondContact O-N 2.89Å; D1337-A1339 PolarHBondContact O-N 3.43Å; D1337-E1340 CarbonylContact O-C 3.13Å; D1337-E1340 PolarHBondContact O-N 3.14Å; D1337-L1341 WeakPolarHBondContact O-CB 3.35Å; D1337-L1341 WeakPolarHBondContact O-CD1 3.34Å; D1337-L1341 PolarHBondContact O-N 3.12Å
1338D39.8Very low41.8Very low113 Ų113117.3 Ų117.360%0.60462%0.624SS**Hα-helixtrans-64.7-27.6171.1-93.7-5000112.5Q1334 R1342Q1334-D1338 WeakPolarHBondContact O-CB 3.38Å; Q1334-D1338 PolarHBondContact O-N 3.47Å; D1338-R1342 WeakPolarHBondContact O-CG 3.46Å; D1338-R1342 PolarHBondContact O-N 3.33Å
1339A59.2Low41.9Very low55 Ų55117.9 Ų117.946%0.45562%0.623SS.*Hα-helixtrans-79.5-41174.200000111.4K1336 D1337 R1342 D1343K1336-A1339 CarbonylContact O-C 2.68Å; K1336-A1339 WeakPolarHBondContact O-CB 3.45Å; K1336-A1339 PolarHBondContact O-N 2.85Å; K1336-A1339 VanDerWaalsContact O-N 3.16Å; D1337-A1339 PolarHBondContact O-N 3.43Å; A1339-R1342 WeakPolarHBondContact O-CB 3.39Å; A1339-R1342 PolarHBondContact O-N 2.89Å; A1339-D1343 PolarHBondContact O-N 2.91Å
1340E54.7Low42.1Very low91 Ų91119.8 Ų119.843%0.42563%0.627SS.*Hα-helixtrans-72.8-28.9176.3-73.7174.5-156.700112.1K1336 D1337 D1343 L1344K1336-E1340 IonicContact NZ-OE1 3.21Å; K1336-E1340 PolarHBondContact NZ-OE1 2.87Å; K1336-E1340 WeakPolarHBondContact O-CB 3.44Å; K1336-E1340 WeakPolarHBondContact O-CG 3.49Å; K1336-E1340 PolarHBondContact O-N 3.3Å; D1337-E1340 CarbonylContact O-C 3.13Å; D1337-E1340 PolarHBondContact O-N 3.14Å; E1340-D1343 PolarHBondContact O-N 3.25Å; E1340-L1344 VanDerWaalsContact O-CB 3.27Å; E1340-L1344 WeakPolarHBondContact O-CB 3.45Å; E1340-L1344 WeakPolarHBondContact O-CD1 3.34Å; E1340-L1344 WeakPolarHBondContact O-CG 3.5Å; E1340-L1344 PolarHBondContact O-N 3.12Å
1341L40.2Very low42.3Very low95 Ų95123.1 Ų123.150%0.49764%0.639SS.*Hα-helixtrans-66.3-40.7166.4-10880.8000111.2D1337 D1343 L1344 L1345D1337-L1341 WeakPolarHBondContact O-CB 3.35Å; D1337-L1341 WeakPolarHBondContact O-CD1 3.34Å; D1337-L1341 PolarHBondContact O-N 3.12Å; L1341-D1343 VanDerWaalsContact C-N 3.31Å; L1341-L1344 PolarHBondContact O-N 3.36Å; L1341-L1345 WeakPolarHBondContact O-CB 3.34Å; L1341-L1345 WeakPolarHBondContact O-CD1 3.14Å; L1341-L1345 WeakPolarHBondContact O-CG 3.19Å; L1341-L1345 PolarHBondContact O-N 2.95Å
1342R47.4Very low42.5Very low191 Ų191121.2 Ų121.272%0.72163%0.633SS**Hα-helixtrans-64.2-38.2174.1-78.2177.9-179.5-1640.9111.8D1338 A1339 L1346D1338-R1342 WeakPolarHBondContact O-CG 3.46Å; D1338-R1342 PolarHBondContact O-N 3.33Å; A1339-R1342 WeakPolarHBondContact O-CB 3.39Å; A1339-R1342 PolarHBondContact O-N 2.89Å; R1342-L1346 WeakPolarHBondContact O-CB 3.48Å; R1342-L1346 WeakPolarHBondContact O-CD1 3.43Å; R1342-L1346 WeakPolarHBondContact O-CG 3.39Å; R1342-L1346 PolarHBondContact O-N 3.37Å
1343D58.3Low42.3Very low125 Ų125120.9 Ų120.967%0.66863%0.632SS**Hα-helixtrans-67.9-43.8175.8-152.857.8000111.6A1339 E1340 L1341 L1346A1339-D1343 PolarHBondContact O-N 2.91Å; E1340-D1343 PolarHBondContact O-N 3.25Å; L1341-D1343 VanDerWaalsContact C-N 3.31Å; D1343-L1346 PolarHBondContact O-N 2.89Å
1344L45.8Very low42Very low122 Ų122123.4 Ų123.464%0.63965%0.652SS**Hα-helixtrans-66.6-38176.5-76.1166.7000113.3E1340 L1341 L1346 R1347E1340-L1344 VanDerWaalsContact O-CB 3.27Å; E1340-L1344 WeakPolarHBondContact O-CB 3.45Å; E1340-L1344 WeakPolarHBondContact O-CD1 3.34Å; E1340-L1344 WeakPolarHBondContact O-CG 3.5Å; E1340-L1344 PolarHBondContact O-N 3.12Å; L1341-L1344 PolarHBondContact O-N 3.36Å; L1344-L1346 VanDerWaalsContact C-N 3.25Å; L1344-L1346 PolarHBondContact O-N 3.26Å; L1344-R1347 PolarHBondContact O-N 2.96Å
1345L40.9Very low41.6Very low144 Ų144125.2 Ų125.275%0.75467%0.666SS**Hα-helixtrans-75.9-10.2177.9-70.4170.3000113.5L1341L1341-L1345 WeakPolarHBondContact O-CB 3.34Å; L1341-L1345 WeakPolarHBondContact O-CD1 3.14Å; L1341-L1345 WeakPolarHBondContact O-CG 3.19Å; L1341-L1345 PolarHBondContact O-N 2.95Å
1346L47.9Very low41.3Very low142 Ų142124.6 Ų124.674%0.74367%0.667SS**THydrogen-bonded Turntrans-100.40.4176.1-73.8172000113.6R1342 D1343 L1344 P1348R1342-L1346 WeakPolarHBondContact O-CB 3.48Å; R1342-L1346 WeakPolarHBondContact O-CD1 3.43Å; R1342-L1346 WeakPolarHBondContact O-CG 3.39Å; R1342-L1346 PolarHBondContact O-N 3.37Å; D1343-L1346 PolarHBondContact O-N 2.89Å; L1344-L1346 VanDerWaalsContact C-N 3.25Å; L1344-L1346 PolarHBondContact O-N 3.26Å; L1346-P1348 WeakPolarHBondContact O-CD 3.06Å
1347R36.7Very low40.4Very low204 Ų204124.6 Ų124.677%0.7768%0.682SS**PPolyproline II helixtrans-92121.3-177.7-179.6170.6169.2172.3-5.4112.5L1344L1344-R1347 PolarHBondContact O-N 2.96Å
1348P35.7Very low40Very low115 Ų115127.8 Ų127.875%0.74771%0.709SS**PPolyproline II helixtrans-66152.5172.7-21.334000113.6L1346L1346-P1348 WeakPolarHBondContact O-CD 3.06Å
1349S31.6Very low39.5Very low110 Ų110130.8 Ų130.877%0.76972%0.717SS**PPolyproline II helixtrans-62.7146.7172.7-49.20000112.6
1350N33.6Very low38.1Very low146 Ų146133.3 Ų133.378%0.78173%0.727SS**  trans-164.5118138.6-104.26.4000111.2
1351E33.9Very low36.9Very low166 Ų166132.7 Ų132.778%0.77674%0.738SS**  trans63.1134138.4-56.7-172.6149.900123.5
1352T37.1Very low36.5Very low113 Ų113134 Ų13469%0.69375%0.749SS**  trans69104.3150.452.30000122.7
1353D32.7Very low35.8Very low148 Ų148129.4 Ų129.479%0.79174%0.739SS**  74.9145.2114-57.2-11000125.5
1354S34.9Very low34.8Very low103 Ų103133 Ų13372%0.7274%0.743SS**  trans71.190.2151.7-64.50000121.9
1355D30.2Very low34.3Very low161 Ų161137.7 Ų137.786%0.86175%0.752SS**  58.4156.2112.8-71.3-28.6000124.8
1356A34.4Very low34.1Very low86 Ų86141.6 Ų141.671%0.71176%0.757SS**  trans71.777.8153.400000119.6
1357S30.5Very low33.5Very low121 Ų121140.3 Ų140.385%0.84675%0.75SS**  35.3116.9128.963.30000120
1358S34.1Very low33.5Very low132 Ų132138 Ų13892%0.92375%0.748SS**  trans-137.7146.5147.9-166.30000112.6
1359F29.3Very low33.8Very low176 Ų176138.8 Ų138.877%0.77275%0.75SS**  trans-96.2168.2-172.4174.3-122.6000110.6
1360T30Very low34.2Very low109 Ų109139.6 Ų139.667%0.66975%0.753SS**  trans74.6133.4157.419.90000122
1361A29.9Very low34.5Very low77 Ų77136 Ų13664%0.63675%0.751SS**  96.789.412100000123
1362T30.9Very low35Very low122 Ų122134.4 Ų134.475%0.74875%0.754SS**  71.9145.6116-20.60000121.8
1363I34.3Very low35.2Very low96 Ų96133 Ų13349%0.49275%0.754SS.*  118.7131.4120.8-126.3160.9000119.3R1365I1363-R1365 PolarHBondContact O-NH2 3.01Å
1364R36Very low35.7Very low201 Ų201131.4 Ų131.476%0.75875%0.752SS**  trans62.6151.3167.6-61.2153.5-164144.80.4113
1365R36.6Very low35.9Very low219 Ų219137 Ų13783%0.82676%0.757SS**  cis-136.517316.8-48.197.3-92.8-135.9-6.5106.8I1363I1363-R1365 PolarHBondContact O-NH2 3.01Å
1366R36.1Very low36.2Very low227 Ų227139.2 Ų139.286%0.85775%0.754SS**  cis-174.1158-20.4-108.4-164.7161.5-167.6-4.3103.9
1367L34.4Very low36.3Very low114 Ų114142.6 Ų142.660%0.59776%0.759SS**  cis-170.8161.9-19.5-175.757.8000108.2
1368H37.5Very low36.6Very low157 Ų157140.9 Ų140.973%0.72775%0.752SS**  trans78.1137.7174.9-41.7107.5000116.6
1369T41Very low37.2Very low130 Ų130140.3 Ų140.380%0.79875%0.745SS**  cis-153.1158.2-18.19.30000109.5
1370P42Very low37.8Very low127 Ų127137.4 Ų137.483%0.82574%0.744SS**  trans-107.7169.3-159.940.8-36.5000116.9
1371G39.3Very low38.2Very low72 Ų72139.3 Ų139.374%0.74275%0.75SS**  trans-157.3115.6165.300000111.9
1372P44.6Very low38.4Very low131 Ų131147 Ų14785%0.85176%0.762SS**  trans-105.9-172.7-171.444.3-38.5000112.5
1373A41.1Very low38.5Very low83 Ų83144.8 Ų144.869%0.68676%0.764SS**  cis-157.216414.500000113.6
1374P43.3Very low38.3Very low115 Ų115152.1 Ų152.175%0.74779%0.786SS**  trans-113177.317742.1-34.7000115.4
1375R38.8Very low37.9Very low220 Ų220147.7 Ų147.783%0.8379%0.786SS**  trans177.2151.2162.5-110.1168.4-88.9-140.43.1109.1
1376R35.5Very low37.9Very low208 Ų208143.5 Ų143.579%0.78579%0.787SS**  cis-141148.83.2-86.1172-176.3-103.64.7107.2
1377L36.4Very low37.5Very low158 Ų158135.8 Ų135.883%0.82778%0.778SS**  61131.365.7-61.2166.7000114.5
1378A37Very low37.3Very low84 Ų84137.9 Ų137.969%0.69479%0.789SS**  cis-165.9158.5-9.200000113
1379P46.7Very low36.9Very low120 Ų120137.6 Ų137.678%0.77979%0.792SS**  trans-96.7-163.2166.242.8-37.6000111.1
1380P43.1Very low36.1Very low116 Ų116137.1 Ų137.175%0.75379%0.792SS**  cis-130.5-169.4-11.344.5-29.5000113.5
1381N37.3Very low35.3Very low148 Ų148139.1 Ų139.179%0.79179%0.791SS**  trans-170.1153.4134.1-137.5-29.1000117.9
1382R34.6Very low34.7Very low238 Ų238142.5 Ų142.590%0.89880%0.797SS**  trans66125.7167.4-55.7-176.9-177.7-169.60.5118.1
1383G32.8Very low33.9Very low76 Ų76141.4 Ų141.478%0.78479%0.793SS**  cis167.7176.2-11.200000115.7
1384R30.7Very low33.4Very low251 Ų251143.4 Ų143.495%0.94779%0.792SS**  trans81.8107.5168.5-153.7175.5-164.2-1784.2118.9
1385S27.8Very low32.9Very low108 Ų108142.6 Ų142.676%0.75580%0.795SS**  trans-110.5-162.9162.8-41.40000108.1
1386P35.4Very low32.8Very low131 Ų131137.5 Ų137.585%0.85179%0.793SS**  cis-136.8179.8-5.142.8-25.8000115.7
1387G29.1Very low32.8Very low65 Ų65130.3 Ų130.367%0.6777%0.769SS**  trans163.3118.1157.700000118.3
1388L29.8Very low32.7Very low158 Ų158129.9 Ų129.983%0.82776%0.763SS**  trans64.1126152.6-80.173.3000122.6
1389L28.2Very low32.7Very low151 Ų151129.8 Ų129.879%0.79176%0.762SS**  trans57.5123139.4-50.7-179.7000119.5
1390C24Very low32.4Very low119 Ų119128.8 Ų128.880%0.80475%0.75SS**  68.2129.985.2-137.80000112.3
1391E25.9Very low32.3Very low169 Ų169124.7 Ų124.779%0.7972%0.722SS**  cis-129.8174.822.8-62160.2126.700112.4
1392T26.5Very low32.5Very low144 Ų144124.9 Ų124.988%0.88372%0.718SS**  trans-143.799.8174.555.80000112.6
1393S28.1Very low32.6Very low108 Ų108121 Ų12176%0.75571%0.709SS**  trans-15842.8-178.562.50000115.6
1394D31.3Very low32.9Very low124 Ų124119.9 Ų119.966%0.66368%0.684SS**  trans-95.9-20.6-176.4-76.9-57.8000115.9S1396 M1397D1394-S1396 PolarHBondContact O-N 3.2Å; D1394-M1397 PolarHBondContact O-N 2.78Å; D1394-M1397 VanDerWaalsContact O-N 3.15Å
1395A31.9Very low33.4Very low99 Ų99110 Ų11082%0.81865%0.65SS**THydrogen-bonded Turntrans-679.2-164.900000117
1396S36.8Very low34Very low112 Ų112110.4 Ų110.478%0.78364%0.642SS**THydrogen-bonded Turntrans-123.4-0.4178.8-168.60000114.1D1394D1394-S1396 PolarHBondContact O-N 3.2Å
1397M35.4Very low34Very low57 Ų57107.8 Ų107.828%0.28162%0.621SS.*THydrogen-bonded Turntrans-99-27179.4-147.5-174.4-57.500113.4L182 D1394 A1399 L1400L182-M1397 HydrophobicContact CD2-SD 4.07Å; D1394-M1397 PolarHBondContact O-N 2.78Å; D1394-M1397 VanDerWaalsContact O-N 3.15Å; M1397-A1399 PolarHBondContact O-N 2.79Å; M1397-A1399 VanDerWaalsContact O-N 3.11Å; M1397-L1400 PolarHBondContact O-N 3.48Å
1398E34.9Very low34.5Very low149 Ų149106 Ų10670%0.69660%0.596SS**G310 helixtrans-59.5-24.3-176-59.6-177.7131.300114.2L1400 D1401E1398-L1400 PolarHBondContact O-N 2.94Å; E1398-D1401 PolarHBondContact O-N 3.06Å
1399A37.1Very low34.8Very low83 Ų83101.6 Ų101.669%0.68657%0.573SS**G310 helixtrans-67.3-18.6-179.200000114.1M1397M1397-A1399 PolarHBondContact O-N 2.79Å; M1397-A1399 VanDerWaalsContact O-N 3.11Å
1400L38.9Very low35.3Very low98 Ų9897.2 Ų97.251%0.51356%0.559SS.*G310 helixtrans-92.3-14.8-177.8-70.2172.3000114.1M1397 E1398 Q1402M1397-L1400 PolarHBondContact O-N 3.48Å; E1398-L1400 PolarHBondContact O-N 2.94Å; L1400-Q1402 PolarHBondContact O-N 2.96Å
1401D41.6Very low35.7Very low31 Ų3192.9 Ų92.917%0.16653%0.529CS..Hα-helixtrans-68.8-25.2-177.8-80.73.2000112R147 E1398 E1403 Q1404 D1405R147-D1401 IonicContact NH2-OD1 2.74Å; R147-D1401 PolarHBondContact NH2-OD1 3.2Å; E1398-D1401 PolarHBondContact O-N 3.06Å; D1401-E1403 VanDerWaalsContact C-N 3.28Å; D1401-E1403 PolarHBondContact O-N 3.43Å; D1401-Q1404 PolarHBondContact O-N 2.75Å; D1401-Q1404 VanDerWaalsContact O-N 3.08Å; D1401-D1405 WeakPolarHBondContact O-CB 3.33Å; D1401-D1405 PolarHBondContact O-N 3.4Å
1402Q41.2Very low36.3Very low152 Ų15285.8 Ų85.871%0.7150%0.497SS*.Hα-helixtrans-62.9-24.3-178.4-65.6-172.919.600114.9L1400 I1406L1400-Q1402 PolarHBondContact O-N 2.96Å; Q1402-I1406 WeakPolarHBondContact O-CD1 3.04Å; Q1402-I1406 VanDerWaalsContact O-CG1 3.29Å; Q1402-I1406 WeakPolarHBondContact O-CG1 3.5Å
1403E38.2Very low36.7Very low155 Ų15585.6 Ų85.672%0.72448%0.48SS*.Hα-helixtrans-85.3-25.9174.2-72.4-162.5149.900113.3D1401D1401-E1403 VanDerWaalsContact C-N 3.28Å; D1401-E1403 PolarHBondContact O-N 3.43Å
1404Q39.2Very low37.2Very low53 Ų5383.8 Ų83.825%0.24847%0.471CS..Hα-helixtrans-94.4-27.7-178.7-65.6-164.7-44.700113.1R147 D1401 I1406 L1407 L1408R147-Q1404 VanDerWaalsContact CZ-OE1 3.27Å; D1401-Q1404 PolarHBondContact O-N 2.75Å; D1401-Q1404 VanDerWaalsContact O-N 3.08Å; Q1404-I1406 VanDerWaalsContact C-N 3.27Å; Q1404-L1407 PolarHBondContact O-N 3.18Å; Q1404-L1408 PolarHBondContact O-N 2.87Å
1405D40Very low37.2Very low44 Ų4479.7 Ų79.724%0.23545%0.453CS..Hα-helixtrans-61.2-37.3163.7-77.6-27000110K185 K189 D1401 L1407 L1408 D1409K185-D1405 IonicContact NZ-OD1 2.99Å; K185-D1405 IonicContact NZ-OD2 3.04Å; K189-D1405 IonicContact NZ-OD1 3.06Å; K189-D1405 PolarHBondContact NZ-OD1 2.74Å; D1401-D1405 WeakPolarHBondContact O-CB 3.33Å; D1401-D1405 PolarHBondContact O-N 3.4Å; D1405-L1407 PolarHBondContact O-N 2.75Å; D1405-L1407 VanDerWaalsContact O-N 3.13Å; D1405-L1408 PolarHBondContact O-N 3.13Å; D1405-L1408 VanDerWaalsContact O-N 3.15Å; D1405-D1409 WeakPolarHBondContact O-CA 3.43Å; D1405-D1409 WeakPolarHBondContact O-CB 3.49Å; D1405-D1409 PolarHBondContact O-N 3.05Å
1406I41.2Very low37.4Very low116 Ų11676.4 Ų76.460%0.59542%0.422SS*.Hα-helixtrans-53.5-38.7174.7-73.9166.4000113.4Q1402 Q1404 A1410Q1402-I1406 WeakPolarHBondContact O-CD1 3.04Å; Q1402-I1406 VanDerWaalsContact O-CG1 3.29Å; Q1402-I1406 WeakPolarHBondContact O-CG1 3.5Å; Q1404-I1406 VanDerWaalsContact C-N 3.27Å; I1406-A1410 PolarHBondContact O-N 2.75Å
1407L35.2Very low37Very low77 Ų7772.9 Ų72.940%0.40340%0.397SS..Hα-helixtrans-79.8-30.9-175.9-141155.3000111.8L154 Q1404 D1405 A1410 C1411L154-L1407 HydrophobicContact CD1-CD1 3.79Å; L154-L1407 HydrophobicContact CD1-CD2 4.23Å; L154-L1407 HydrophobicContact CD2-CD2 3.74Å; Q1404-L1407 PolarHBondContact O-N 3.18Å; D1405-L1407 PolarHBondContact O-N 2.75Å; D1405-L1407 VanDerWaalsContact O-N 3.13Å; L1407-A1410 WeakPolarHBondContact O-CB 3.33Å; L1407-A1410 PolarHBondContact O-N 2.89Å; L1407-C1411 PolarHBondContact O-N 3.37Å
1408L38.4Very low36.8Very low26 Ų2672.7 Ų72.714%0.13640%0.401CS..Hα-helixtrans-91-29.6178-83.4144.6000113.5K189 Q1404 D1405 A1410 C1411 L1412K189-L1408 HydrophobicContact CB-CD1 3.72Å; K189-L1408 HydrophobicContact CB-CD2 3.63Å; K189-L1408 HydrophobicContact CB-CG 4.26Å; K189-L1408 HydrophobicContact CD-CD1 3.76Å; K189-L1408 HydrophobicContact CD-CG 4.48Å; K189-L1408 HydrophobicContact CG-CD1 4Å; K189-L1408 HydrophobicContact CG-CD2 3.92Å; K189-L1408 HydrophobicContact CG-CG 4.4Å; Q1404-L1408 PolarHBondContact O-N 2.87Å; D1405-L1408 PolarHBondContact O-N 3.13Å; D1405-L1408 VanDerWaalsContact O-N 3.15Å; L1408-A1410 PolarHBondContact O-N 2.98Å; L1408-C1411 PolarHBondContact O-N 2.98Å; L1408-C1411 VanDerWaalsContact O-N 3.12Å; L1408-L1412 HydrophobicContact CB-CD1 4.39Å; L1408-L1412 VanDerWaalsContact O-CB 3.3Å; L1408-L1412 WeakPolarHBondContact O-CB 3.4Å; L1408-L1412 WeakPolarHBondContact O-CD1 3.24Å; L1408-L1412 PolarHBondContact O-N 2.98Å
1409D37.8Very low36.5Very low66 Ų6670 Ų7035%0.35339%0.39SS..Hα-helixtrans-68.11.5160.9-166.529.2000111.2D1405 R1413D1405-D1409 WeakPolarHBondContact O-CA 3.43Å; D1405-D1409 WeakPolarHBondContact O-CB 3.49Å; D1405-D1409 PolarHBondContact O-N 3.05Å; D1409-R1413 PolarHBondContact O-NE 3.25Å; D1409-R1413 PolarHBondContact O-NH2 3.38Å; D1409-R1413 WeakPolarHBondContact OD1-CD 3.23Å; D1409-R1413 IonicContact OD1-CZ 2.69Å; D1409-R1413 IonicContact OD1-NE 2.64Å; D1409-R1413 PolarHBondContact OD1-NE 3.2Å; D1409-R1413 IonicContact OD1-NH1 3.42Å; D1409-R1413 PolarHBondContact OD1-NH1 2.66Å; D1409-R1413 IonicContact OD1-NH2 3.64Å; D1409-R1413 PolarHBondContact OD1-NH2 2.85Å; D1409-R1413 IonicContact OD2-CZ 3.84Å; D1409-R1413 IonicContact OD2-NH1 3.37Å; D1409-R1413 PolarHBondContact OD2-NH1 3.45Å; D1409-R1413 IonicContact OD2-NH2 3.45Å; D1409-R1413 PolarHBondContact OD2-NH2 3.39Å
1410A37.1Very low36.1Very low60 Ų6070.5 Ų70.550%0.49638%0.382SS..Hα-helixtrans-98-39.7162.200000112.7I1406 L1407 L1408 A1414I1406-A1410 PolarHBondContact O-N 2.75Å; L1407-A1410 WeakPolarHBondContact O-CB 3.33Å; L1407-A1410 PolarHBondContact O-N 2.89Å; L1408-A1410 PolarHBondContact O-N 2.98Å; A1410-A1414 PolarHBondContact O-N 3.39Å
1411C33.7Very low35.6Very low27 Ų2767.5 Ų67.518%0.18237%0.369CS..Hα-helixtrans-79-35.8177.5-60.60000113.8L1407 L1408 A1414L1407-C1411 PolarHBondContact O-N 3.37Å; L1408-C1411 PolarHBondContact O-N 2.98Å; L1408-C1411 VanDerWaalsContact O-N 3.12Å; C1411-A1414 WeakPolarHBondContact O-CB 3.37Å; C1411-A1414 PolarHBondContact O-N 3.24Å
1412L37.6Very low35.1Very low21 Ų2168 Ų6811%0.1137%0.37CS..G310 helixtrans-70.6-45.4174.5-80.4140.7000110.6L192 Y242 T245 L1408 A1414 S1415L192-L1412 HydrophobicContact CD2-CD1 4.47Å; L192-L1412 HydrophobicContact CD2-CD2 3.57Å; L192-L1412 HydrophobicContact CD2-CG 3.79Å; Y242-L1412 HydrophobicContact CD1-CD1 4.03Å; Y242-L1412 HydrophobicContact CD1-CD2 3.83Å; Y242-L1412 HydrophobicContact CE1-CD1 3.37Å; Y242-L1412 HydrophobicContact CE1-CD2 3.84Å; Y242-L1412 HydrophobicContact CE1-CG 4.27Å; T245-L1412 HydrophobicContact CG2-CD2 4.47Å; L1408-L1412 HydrophobicContact CB-CD1 4.39Å; L1408-L1412 VanDerWaalsContact O-CB 3.3Å; L1408-L1412 WeakPolarHBondContact O-CB 3.4Å; L1408-L1412 WeakPolarHBondContact O-CD1 3.24Å; L1408-L1412 PolarHBondContact O-N 2.98Å; L1412-A1414 PolarHBondContact O-N 3.04Å; L1412-S1415 CarbonylContact O-C 3.34Å; L1412-S1415 PolarHBondContact O-N 2.85Å
1413R36.1Very low34.5Very low140 Ų14062.6 Ų62.653%0.52836%0.355SS..G310 helixtrans-70.65.7171.9-65.6-164.9-61.5-124.1-14.4114.6D1409D1409-R1413 PolarHBondContact O-NE 3.25Å; D1409-R1413 PolarHBondContact O-NH2 3.38Å; D1409-R1413 WeakPolarHBondContact OD1-CD 3.23Å; D1409-R1413 IonicContact OD1-CZ 2.69Å; D1409-R1413 IonicContact OD1-NE 2.64Å; D1409-R1413 PolarHBondContact OD1-NE 3.2Å; D1409-R1413 IonicContact OD1-NH1 3.42Å; D1409-R1413 PolarHBondContact OD1-NH1 2.66Å; D1409-R1413 IonicContact OD1-NH2 3.64Å; D1409-R1413 PolarHBondContact OD1-NH2 2.85Å; D1409-R1413 IonicContact OD2-CZ 3.84Å; D1409-R1413 IonicContact OD2-NH1 3.37Å; D1409-R1413 PolarHBondContact OD2-NH1 3.45Å; D1409-R1413 IonicContact OD2-NH2 3.45Å; D1409-R1413 PolarHBondContact OD2-NH2 3.39Å
1414A37.3Very low34.6Very low69 Ų6957.6 Ų57.657%0.5734%0.341SS*.G310 helixtrans-90.30.116400000112.6A1410 C1411 L1412A1410-A1414 PolarHBondContact O-N 3.39Å; C1411-A1414 WeakPolarHBondContact O-CB 3.37Å; C1411-A1414 PolarHBondContact O-N 3.24Å; L1412-A1414 PolarHBondContact O-N 3.04Å
1415S32.1Very low34.4Very low39 Ų3960.6 Ų60.627%0.27336%0.364SS..SBendtrans-153.5118.1176.3-570000111.7K249 L1412K249-S1415 WeakPolarHBondContact CE-OG 3.47Å; K249-S1415 PolarHBondContact NZ-OG 3.4Å; L1412-S1415 CarbonylContact O-C 3.34Å; L1412-S1415 PolarHBondContact O-N 2.85Å
1416T34.6Very low34Very low29 Ų2962 Ų6218%0.17839%0.389CS..SBendtrans62.1149.1-161.760.20000113.9Q292 S320Q292-T1416 PolarHBondContact NE2-OG1 2.88Å; Q292-T1416 VanDerWaalsContact NE2-OG1 3.11Å; S320-T1416 WeakPolarHBondContact OG-CG2 3.44Å
1417P29.8Very low33.4Very low38 Ų3868.3 Ų68.325%0.24741%0.405CS..  trans-120.9-167.1-151.816.69000114.8S316 A1454S316-P1417 WeakPolarHBondContact OG-CG 3.49Å; P1417-A1454 HydrophobicContact CB-CB 3.58Å; P1417-A1454 HydrophobicContact CG-CB 4.45Å
1418S30.5Very low33.2Very low53 Ų5376 Ų7637%0.37143%0.429SS..  trans83.8168.1172-133.30000115.7D1456S1418-D1456 VanDerWaalsContact CB-OD2 3.25Å; S1418-D1456 WeakPolarHBondContact CB-OD2 3.46Å; S1418-D1456 PolarHBondContact OG-OD2 3.31Å
1419I28.7Very low32.9Very low92 Ų9281.1 Ų81.147%0.47246%0.461SS..  -148.7166.7-86.7-108.9163.6000110.4D1456I1419-D1456 HydrophobicContact CD1-CB 4.32Å
1420N28.1Very low32.9Very low95 Ų9583 Ų8351%0.50848%0.477SS..  trans90.4112.2177.6-51.1-50.8000115E1310E1310-N1420 HydrophobicContact CB-CB 4.2Å; E1310-N1420 HydrophobicContact CG-CB 3.97Å; E1310-N1420 VanDerWaalsContact CG-OD1 3.31Å; E1310-N1420 WeakPolarHBondContact CG-OD1 3.37Å
1421S30Very low32.8Very low34 Ų3485.4 Ų85.424%0.23849%0.488CS..  169.516252.842.50000117.1L1307 R1311L1307-S1421 CarbonylContact O-C 3.47Å; R1311-S1421 WeakPolarHBondContact CG-OG 3.14Å; R1311-S1421 PolarHBondContact NE-OG 2.6Å
1422H31.3Very low32.6Very low42 Ų4293.2 Ų93.219%0.19452%0.518CS..  trans-54.8-171.9-178.8-32.8-42.3000121.8A1306 L1307 A1308 R1309 E1310 R1311 K1312A1306-H1422 PolarHBondContact O-CE1 2.96Å; A1306-H1422 PolarHBondContact O-ND1 3.43Å; L1307-H1422 VanDerWaalsContact C-ND1 3.3Å; L1307-H1422 WeakPolarHBondContact O-CA 3.45Å; L1307-H1422 WeakPolarHBondContact O-CB 2.69Å; L1307-H1422 PolarHBondContact O-N 2.98Å; L1307-H1422 PolarHBondContact O-ND1 3.41Å; A1308-H1422 VanDerWaalsContact C-CG 3.45Å; A1308-H1422 WeakPolarHBondContact O-CB 3.42Å; R1309-H1422 VanDerWaalsContact C-CB 3.5Å; R1309-H1422 WeakPolarHBondContact CA-CE1 3.31Å; R1309-H1422 WeakPolarHBondContact CA-ND1 3.48Å; R1309-H1422 WeakPolarHBondContact CA-NE2 3.36Å; R1309-H1422 WeakPolarHBondContact CB-CE1 3.33Å; R1309-H1422 WeakPolarHBondContact CB-ND1 3.42Å; R1309-H1422 PolarHBondContact N-ND1 2.79Å; R1309-H1422 PolarHBondContact O-CD2 2.92Å; R1309-H1422 PolarHBondContact O-CE1 3.47Å; R1309-H1422 PolarHBondContact O-ND1 2.79Å; R1309-H1422 PolarHBondContact O-NE2 2.95Å; E1310-H1422 VanDerWaalsContact C-CG 3.48Å; E1310-H1422 WeakPolarHBondContact CA-CD2 3.23Å; E1310-H1422 WeakPolarHBondContact CA-CE1 3.39Å; E1310-H1422 WeakPolarHBondContact CA-NE2 3.42Å; E1310-H1422 PolarHBondContact N-CD2 3.05Å; E1310-H1422 PolarHBondContact N-CE1 2.81Å; E1310-H1422 PolarHBondContact N-ND1 2.58Å; E1310-H1422 PolarHBondContact N-NE2 3.46Å; E1310-H1422 PolarHBondContact O-CD2 3.42Å; E1310-H1422 IonicContact OE2-NE2 3.9Å; R1311-H1422 HydrophobicContact CB-CB 4.2Å; R1311-H1422 WeakPolarHBondContact CB-O 3.47Å; R1311-H1422 WeakPolarHBondContact CD-O 3.44Å; R1311-H1422 WeakPolarHBondContact CG-O 3.4Å; R1311-H1422 PolarHBondContact N-CD2 3.08Å; K1312-H1422 HydrophobicContact CG-CB 4.37Å; K1312-H1422 PolarHBondContact N-CD2 2.73Å
1423G28.4Very low32.2Very low39 Ų3999.4 Ų99.440%0.40255%0.552SS.*  trans-115.5173.8152.900000112.6K1312K1312-G1423 WeakPolarHBondContact CG-O 3.36Å; K1312-G1423 PolarHBondContact NZ-O 2.79Å
1424A40.6Very low31.8Very low50 Ų50103.4 Ų103.441%0.41357%0.567SS.*  trans-75.4-166.3-174.500000114.6K1312K1312-A1424 WeakPolarHBondContact CE-O 3.22Å
1425P33.8Very low31.3Very low115 Ų115111.7 Ų111.775%0.74758%0.583SS**  -147.3167.1118.236.6-19.4000115.4
1426G32.4Very low31Very low73 Ų73121.4 Ų121.475%0.75361%0.614SS**  trans-140.6-164.4175.200000113.8
1427R28.6Very low30.8Very low249 Ų249124 Ų12494%0.9463%0.631SS**  trans-167.2149.6172.3-100.7169.6-179.9-116.7-2.2106.8
1428R30.7Very low30.8Very low239 Ų239127.7 Ų127.790%0.90265%0.653SS**  cis-158173.229.5-0.8170.4-178.9173.6-0.1107.8
1429V31.9Very low30.7Very low134 Ų134133 Ų13381%0.81268%0.678SS**  cis-165.9158.9-12.9116.40000108.3
1430P36.8Very low30.7Very low105 Ų105140.4 Ų140.468%0.68270%0.699SS**  trans-104-169.5-177.243.9-36.3000113.1
1431P35.9Very low30.7Very low111 Ų111140.7 Ų140.772%0.72171%0.709SS**  -159173.483.544.1-24.4000119
1432K30Very low30.6Very low190 Ų190148.9 Ų148.983%0.82674%0.735SS**  trans68.6139167-61-179.6-179.6-178.80116.7
1433D28.1Very low30.4Very low152 Ų152155.4 Ų155.481%0.81376%0.763SS**  cis-146.7-178.324.1-140.4-48.4000114.1
1434R28.8Very low30.3Very low224 Ų224156.8 Ų156.885%0.84577%0.767SS**  trans67.583.8162.9-135.4170.8-174.1164.2-0.6119.9
1435R27Very low29.6Very low243 Ų243160.5 Ų160.592%0.91778%0.784SS**  trans42.8124.3142.9-57.4-175-177.9-167.9-0.5121.2
1436R25.7Very low29.3Very low243 Ų243166.2 Ų166.292%0.91779%0.791SS**  trans-143.8131.3157.1-60.2-176.3-170.6-178.60.5111.1
1437P30.1Very low29.3Very low83 Ų83171.2 Ų171.254%0.53979%0.786SS.*  trans-100121.21627.213.9000110.3
1438T30.4Very low29.2Very low115 Ų115164.1 Ų164.171%0.70677%0.771SS**  72.8119.880.159.40000115.5
1439D28.2Very low29.2Very low165 Ų165158.4 Ų158.488%0.88276%0.758SS**  trans-66.3145-169.1-50.5-105.3000116.4
1440R28.6Very low29.2Very low247 Ų247158.5 Ų158.593%0.93275%0.754SS**  trans-150.8164153.4-118.6-179.1177.5-152.8-2110
1441S26.7Very low29.2Very low102 Ų102161 Ų16171%0.71375%0.754SS**  trans-120.6153.5-161.651.90000114.3
1442R28.4Very low29.6Very low205 Ų205162 Ų16277%0.77475%0.747SS**  161.7139.2118.9-96.2173.2158.9159.4-6.4115
1443F27.6Very low29.9Very low179 Ų179158.3 Ų158.379%0.78574%0.735SS**  trans59.6164.4156.7-53.1-52.8000117.2
1444S25.2Very low30.7Very low69 Ų69152.5 Ų152.548%0.48371%0.709SS.*  cis-143.9-171.87.366.40000114.4E66E66-S1444 WeakPolarHBondContact OE1-CB 3.5Å; E66-S1444 PolarHBondContact OE1-OG 3.4Å
1445V27.5Very low31.5Very low127 Ų127142.3 Ų142.377%0.7767%0.671SS**  trans59.4101.9166.3-170.10000122.9
1446R26.7Very low32.4Very low236 Ų236133 Ų13389%0.89164%0.639SS**  trans8.7132.5142.9-61.7175.8174.5165.2-0.7122.9
1447R32.4Very low33.3Very low177 Ų177125.1 Ų125.167%0.66862%0.615SS**  -148170.7125.5-98.4-178.9-161.9153.311.5109.5V156V156-R1447 VanDerWaalsContact CG2-NH2 3.3Å
1448T27.2Very low34.6Very low101 Ų101124.7 Ų124.762%0.6261%0.607SS**  trans-131.8158.4-157.7-31.80000114.2
1449L30.9Very low36.3Very low118 Ų118122.9 Ų122.962%0.61859%0.59SS**  trans106.7122156.7-65.5163.2000119.6
1450N31.3Very low37.6Very low136 Ų136117.5 Ų117.573%0.72757%0.568SS**  trans49.9117.5138.7-58.4-3.1000122
1451K36.9Very low38.9Very low158 Ų158110.3 Ų110.369%0.68755%0.547SS*.  trans-129.9139.1152.7-85.4-179.1161.5-1750110.5E1303E1303-K1451 IonicContact OE1-NZ 2.74Å; E1303-K1451 IonicContact OE2-NZ 3.17Å; E1303-K1451 PolarHBondContact OE2-NZ 3.35Å
1452K43Very low40.4Very low133 Ų133110.4 Ų110.458%0.57854%0.536SS*.PPolyproline II helixtrans-101.3168.7162.2-77.4-174.5179-179.90110.4E319E319-K1452 IonicContact OE1-NZ 2.83Å; E319-K1452 PolarHBondContact OE1-NZ 3.15Å; E319-K1452 WeakPolarHBondContact OE2-CD 3.44Å; E319-K1452 IonicContact OE2-NZ 2.76Å; E319-K1452 PolarHBondContact OE2-NZ 3.35Å
1453L37.8Very low42.1Very low111 Ų111107.1 Ų107.158%0.58153%0.529SS*.PPolyproline II helixtrans-79.9154.5167.5-79.279.1000110.7
1454A44.2Very low43.7Very low30 Ų30103.3 Ų103.325%0.24852%0.521CS..PPolyproline II helixtrans-89.1150.3-179.400000113.4P1417 D1456 D1457 I1458P1417-A1454 HydrophobicContact CB-CB 3.58Å; P1417-A1454 HydrophobicContact CG-CB 4.45Å; A1454-D1456 VanDerWaalsContact C-N 3.26Å; A1454-D1456 PolarHBondContact O-N 3.32Å; A1454-D1456 VanDerWaalsContact O-N 3.15Å; A1454-D1457 PolarHBondContact O-N 2.89Å; A1454-D1457 VanDerWaalsContact O-N 3.13Å; A1454-I1458 PolarHBondContact O-N 2.92Å
1455E46.5Very low45.2Very low11 Ų11105 Ų1055%0.05152%0.524CS..Hα-helixtrans-52.9-36.9178.5-114.564.9-15200115.4A315 S316 D1457 I1458 K1459A315-E1455 VanDerWaalsContact C-OE1 3.25Å; A315-E1455 HydrophobicContact CB-CG 3.82Å; A315-E1455 WeakPolarHBondContact CB-OE1 3.38Å; S316-E1455 VanDerWaalsContact CA-CD 3.43Å; S316-E1455 WeakPolarHBondContact CA-OE2 3.46Å; S316-E1455 WeakPolarHBondContact CB-OE2 3.36Å; S316-E1455 VanDerWaalsContact N-CG 3.29Å; S316-E1455 PolarHBondContact N-OE2 2.73Å; S316-E1455 WeakPolarHBondContact OG-CB 3.37Å; S316-E1455 PolarHBondContact OG-OE2 3.33Å; E1455-D1457 VanDerWaalsContact C-N 3.3Å; E1455-D1457 PolarHBondContact O-N 3.33Å; E1455-I1458 CarbonylContact O-C 3.44Å; E1455-I1458 WeakPolarHBondContact O-CA 3.4Å; E1455-I1458 WeakPolarHBondContact O-CB 3.3Å; E1455-I1458 PolarHBondContact O-N 3.43Å; E1455-I1458 VanDerWaalsContact O-N 3.08Å; E1455-K1459 WeakPolarHBondContact O-CB 3.3Å; E1455-K1459 WeakPolarHBondContact O-CG 3.28Å; E1455-K1459 PolarHBondContact O-N 3.45Å
1456D46Very low46.5Very low48 Ų48104 Ų10426%0.25751%0.51SS..Hα-helixtrans-78.5-19.9-173.5-75.1-5.9000112.1S1418 I1419 A1454 K1459 A1460S1418-D1456 VanDerWaalsContact CB-OD2 3.25Å; S1418-D1456 WeakPolarHBondContact CB-OD2 3.46Å; S1418-D1456 PolarHBondContact OG-OD2 3.31Å; I1419-D1456 HydrophobicContact CD1-CB 4.32Å; A1454-D1456 VanDerWaalsContact C-N 3.26Å; A1454-D1456 PolarHBondContact O-N 3.32Å; A1454-D1456 VanDerWaalsContact O-N 3.15Å; D1456-K1459 WeakPolarHBondContact OD1-CD 3.48Å; D1456-K1459 IonicContact OD1-NZ 2.75Å; D1456-K1459 PolarHBondContact OD1-NZ 2.77Å; D1456-A1460 WeakPolarHBondContact O-CB 3.05Å; D1456-A1460 PolarHBondContact O-N 3.09Å
1457D44.5Very low47.9Very low77 Ų7795.1 Ų95.141%0.41249%0.488SS..Hα-helixtrans-71.5-39.5161.7-74.9-53.2000110.6A1454 E1455 A1460 I1461A1454-D1457 PolarHBondContact O-N 2.89Å; A1454-D1457 VanDerWaalsContact O-N 3.13Å; E1455-D1457 VanDerWaalsContact C-N 3.3Å; E1455-D1457 PolarHBondContact O-N 3.33Å; D1457-A1460 PolarHBondContact O-N 2.94Å; D1457-I1461 WeakPolarHBondContact O-CB 3.23Å; D1457-I1461 WeakPolarHBondContact O-CD1 3.2Å; D1457-I1461 WeakPolarHBondContact O-CG1 3.38Å; D1457-I1461 PolarHBondContact O-N 2.65Å
1458I56.8Low48.3Very low73 Ų7390.7 Ų90.737%0.37448%0.484SS..Hα-helixtrans-63.2-50.6176.2-60.3172.5000110.8A1454 E1455 A1460 I1461 E1462A1454-I1458 PolarHBondContact O-N 2.92Å; E1455-I1458 CarbonylContact O-C 3.44Å; E1455-I1458 WeakPolarHBondContact O-CA 3.4Å; E1455-I1458 WeakPolarHBondContact O-CB 3.3Å; E1455-I1458 PolarHBondContact O-N 3.43Å; E1455-I1458 VanDerWaalsContact O-N 3.08Å; I1458-A1460 PolarHBondContact O-N 3.34Å; I1458-I1461 CarbonylContact O-C 3.56Å; I1458-I1461 WeakPolarHBondContact O-CB 3.32Å; I1458-I1461 PolarHBondContact O-N 3.29Å; I1458-E1462 WeakPolarHBondContact O-CG 3.35Å; I1458-E1462 PolarHBondContact O-N 2.83Å
1459K65.5Low49.1Very low78 Ų7889.7 Ų89.734%0.33949%0.486SS..Hα-helixtrans-65.5-34.8176.2-65.7173.7-150.71480112.1E1455 D1456 E1462 H1463E1455-K1459 WeakPolarHBondContact O-CB 3.3Å; E1455-K1459 WeakPolarHBondContact O-CG 3.28Å; E1455-K1459 PolarHBondContact O-N 3.45Å; D1456-K1459 WeakPolarHBondContact OD1-CD 3.48Å; D1456-K1459 IonicContact OD1-NZ 2.75Å; D1456-K1459 PolarHBondContact OD1-NZ 2.77Å; K1459-E1462 PolarHBondContact O-N 3.43Å; K1459-H1463 VanDerWaalsContact O-CB 3.23Å; K1459-H1463 WeakPolarHBondContact O-CB 3.44Å; K1459-H1463 PolarHBondContact O-N 3.02Å
1460A55.4Low49.7Very low51 Ų5192 Ų9242%0.42149%0.491SS..Hα-helixtrans-66.5-39.2172.800000111.2D1456 D1457 I1458 H1463 V1464D1456-A1460 WeakPolarHBondContact O-CB 3.05Å; D1456-A1460 PolarHBondContact O-N 3.09Å; D1457-A1460 PolarHBondContact O-N 2.94Å; I1458-A1460 PolarHBondContact O-N 3.34Å; A1460-H1463 PolarHBondContact O-N 3.2Å; A1460-V1464 WeakPolarHBondContact O-CB 3.36Å; A1460-V1464 VanDerWaalsContact O-CG2 3.23Å; A1460-V1464 WeakPolarHBondContact O-CG2 3.36Å; A1460-V1464 PolarHBondContact O-N 3.44Å
1461I56.8Low50Low96 Ų9693.7 Ų93.749%0.49251%0.506SS..Hα-helixtrans-64.6-47.1172.7-72.7164.6000110.3D1457 I1458 H1463 V1464 I1465D1457-I1461 WeakPolarHBondContact O-CB 3.23Å; D1457-I1461 WeakPolarHBondContact O-CD1 3.2Å; D1457-I1461 WeakPolarHBondContact O-CG1 3.38Å; D1457-I1461 PolarHBondContact O-N 2.65Å; I1458-I1461 CarbonylContact O-C 3.56Å; I1458-I1461 WeakPolarHBondContact O-CB 3.32Å; I1458-I1461 PolarHBondContact O-N 3.29Å; I1461-H1463 PolarHBondContact O-N 3.07Å; I1461-V1464 PolarHBondContact O-N 2.95Å; I1461-I1465 HydrophobicContact CG2-CD1 3.66Å; I1461-I1465 HydrophobicContact CG2-CG1 4.46Å; I1461-I1465 WeakPolarHBondContact O-CB 3.44Å; I1461-I1465 VanDerWaalsContact O-CG1 3.24Å; I1461-I1465 WeakPolarHBondContact O-CG1 3.07Å; I1461-I1465 PolarHBondContact O-N 2.68Å
1462E58.4Low50.6Low105 Ų10590.5 Ų90.549%0.49150%0.497SS..Hα-helixtrans-58.5-44.3174-72.8-167.6123.700112.3I1458 K1459 I1465 Q1466I1458-E1462 WeakPolarHBondContact O-CG 3.35Å; I1458-E1462 PolarHBondContact O-N 2.83Å; K1459-E1462 PolarHBondContact O-N 3.43Å; E1462-I1465 PolarHBondContact O-N 2.73Å; E1462-Q1466 WeakPolarHBondContact O-CB 3.28Å; E1462-Q1466 VanDerWaalsContact O-CG 3.32Å; E1462-Q1466 WeakPolarHBondContact O-CG 3.4Å; E1462-Q1466 PolarHBondContact O-N 3.02Å
1463H64Low51Low135 Ų13588.2 Ų88.263%0.62549%0.493SS*.Hα-helixtrans-70.7-32.8-179.8-167.7-80.6000112.1K1459 A1460 I1461 A1467K1459-H1463 VanDerWaalsContact O-CB 3.23Å; K1459-H1463 WeakPolarHBondContact O-CB 3.44Å; K1459-H1463 PolarHBondContact O-N 3.02Å; A1460-H1463 PolarHBondContact O-N 3.2Å; I1461-H1463 PolarHBondContact O-N 3.07Å; H1463-A1467 WeakPolarHBondContact O-CB 3.27Å; H1463-A1467 PolarHBondContact O-N 3.01Å
1464V60Low51.8Low99 Ų9986.9 Ų86.960%0.649%0.488SS*.Hα-helixtrans-68.3-41.2170.8166.20000111A1460 I1461 A1467 S1468A1460-V1464 WeakPolarHBondContact O-CB 3.36Å; A1460-V1464 VanDerWaalsContact O-CG2 3.23Å; A1460-V1464 WeakPolarHBondContact O-CG2 3.36Å; A1460-V1464 PolarHBondContact O-N 3.44Å; I1461-V1464 PolarHBondContact O-N 2.95Å; V1464-A1467 PolarHBondContact O-N 3.18Å; V1464-S1468 VanDerWaalsContact O-CB 3.3Å; V1464-S1468 WeakPolarHBondContact O-CB 3.35Å; V1464-S1468 PolarHBondContact O-N 3.43Å
1465I57.2Low52.2Low106 Ų10690.3 Ų90.354%0.54450%0.502SS..Hα-helixtrans-65.5-45.5175.4-70.5167.4000110.7I1461 E1462 A1467 S1468 A1469I1461-I1465 HydrophobicContact CG2-CD1 3.66Å; I1461-I1465 HydrophobicContact CG2-CG1 4.46Å; I1461-I1465 WeakPolarHBondContact O-CB 3.44Å; I1461-I1465 VanDerWaalsContact O-CG1 3.24Å; I1461-I1465 WeakPolarHBondContact O-CG1 3.07Å; I1461-I1465 PolarHBondContact O-N 2.68Å; E1462-I1465 PolarHBondContact O-N 2.73Å; I1465-A1467 VanDerWaalsContact C-N 3.34Å; I1465-A1467 PolarHBondContact O-N 3.43Å; I1465-S1468 CarbonylContact O-C 3.58Å; I1465-S1468 PolarHBondContact O-N 3.33Å; I1465-A1469 VanDerWaalsContact O-CB 3.28Å; I1465-A1469 WeakPolarHBondContact O-CB 3.36Å; I1465-A1469 PolarHBondContact O-N 3.4Å
1466Q55.1Low52.6Low104 Ų10495.3 Ų95.349%0.48653%0.53SS..Hα-helixtrans-68.1-29.3177-73.1-172.232.100113.3E1462 K1470E1462-Q1466 WeakPolarHBondContact O-CB 3.28Å; E1462-Q1466 VanDerWaalsContact O-CG 3.32Å; E1462-Q1466 WeakPolarHBondContact O-CG 3.4Å; E1462-Q1466 PolarHBondContact O-N 3.02Å; Q1466-K1470 WeakPolarHBondContact O-CD 3.35Å; Q1466-K1470 WeakPolarHBondContact O-CG 3.38Å
1467A55.4Low53Low51 Ų5198.4 Ų98.442%0.42155%0.548SS..Hα-helixtrans-72-46.3171.200000111.1H1463 V1464 I1465 A1469 K1470H1463-A1467 WeakPolarHBondContact O-CB 3.27Å; H1463-A1467 PolarHBondContact O-N 3.01Å; V1464-A1467 PolarHBondContact O-N 3.18Å; I1465-A1467 VanDerWaalsContact C-N 3.34Å; I1465-A1467 PolarHBondContact O-N 3.43Å; A1467-A1469 PolarHBondContact O-N 3.09Å; A1467-K1470 PolarHBondContact O-N 3.25Å; A1467-K1470 VanDerWaalsContact O-N 3.09Å
1468S41.7Very low53.6Low84 Ų8499.9 Ų99.959%0.58756%0.558SS**Hα-helixtrans-72.2-7.4178.3-167.10000114.3V1464 I1465V1464-S1468 VanDerWaalsContact O-CB 3.3Å; V1464-S1468 WeakPolarHBondContact O-CB 3.35Å; V1464-S1468 PolarHBondContact O-N 3.43Å; I1465-S1468 CarbonylContact O-C 3.58Å; I1465-S1468 PolarHBondContact O-N 3.33Å
1469A44.6Very low53.4Low80 Ų80102 Ų10266%0.66157%0.572SS**THydrogen-bonded Turntrans-100.53.7171.100000113.2I1465 A1467I1465-A1469 VanDerWaalsContact O-CB 3.28Å; I1465-A1469 WeakPolarHBondContact O-CB 3.36Å; I1465-A1469 PolarHBondContact O-N 3.4Å; A1467-A1469 PolarHBondContact O-N 3.09Å
1470K43Very low52.4Low167 Ų167104 Ų10473%0.72659%0.592SS**  trans-11411.9175.3-72.5171.8-176.2164.10112.6Q1466 A1467Q1466-K1470 WeakPolarHBondContact O-CD 3.35Å; Q1466-K1470 WeakPolarHBondContact O-CG 3.38Å; A1467-K1470 PolarHBondContact O-N 3.25Å; A1467-K1470 VanDerWaalsContact O-N 3.09Å
1471T36.9Very low52.1Low170 Ų170108.8 Ų108.8100%1.04361%0.607SS**  trans-131.90175.154.70000109.8

Retrieved 1,471 of 1,471 residues in 242.8 ms (Link to these results)

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